data_r5hmlsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-06-01 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5hml 
_cell.length_a      47.3800 
_cell.length_b      58.3800 
_cell.length_c      59.7200 
_cell.angle_alpha   66.5300 
_cell.angle_beta    79.4800 
_cell.angle_gamma   73.7100 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9795 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.482 
_diffrn_reflns.pdbx_d_res_low    54.602 
_diffrn_reflns.limit_h_max       31 
_diffrn_reflns.limit_h_min       -31 
_diffrn_reflns.limit_k_max       39 
_diffrn_reflns.limit_k_min       -35 
_diffrn_reflns.limit_l_max       40 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            93297 
_diffrn_reflns.pdbx_number_obs   87441 
# 
_entry.id   5hml 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5hml 
_symmetry.space_group_name_H-M   'P 1' 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   'X,  Y,  Z' 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -31 -12 1  o 23.68117 7.523123  81.13281       130.3004 357.3684       
274.0844 0.4714942      148.1076 29.00778 12.47192 18.35456 8.416697 10.65322 
15.04625 
1 1 1 -31 -11 1  o 24.40236 7.332063  169.4244       124.8494 179.5041       
235.0497 165.4629       147.3549 24.82816 11.06991 23.97655 9.617368 0.8516045 
14.66413 
1 1 1 -31 -10 1  o 23.87815 6.855987  149.8733       126.4054 -119.3242      
233.2296 261.8351       150.4123 19.24315 9.317219 28.51314 10.06020 -9.269985 
13.71197 
1 1 1 -31 -10 2  o 25.27900 7.419084  200.8852       128.4601 164.8147       
233.6762 216.5071       153.7821 24.41616 10.95767 26.14184 10.00503 -1.725677 
14.83817 
1 1 1 -31 -9  1  o 24.98022 6.698282  156.6764       128.7434 -249.4967      
232.4109 336.4913       154.6371 17.59958 8.679461 32.36087 10.20465 -14.76130 
13.39656 
1 1 1 -31 -9  2  o 20.63600 6.779519  21.20343       131.5086 82.72443       
235.4789 -6.681581      158.5352 22.67206 10.48251 18.59994 8.600254 4.072126 
13.55904 
1 1 1 -31 -8  1  o 25.62648 7.327364  207.7094       130.8747 72.23515       
234.1814 269.2384       157.8207 22.55319 10.43750 28.69978 10.28687 -6.146587 
14.65473 
1 1 1 -31 -8  2  o 19.48336 6.381396  -6.292355      128.1490 -194.2876      
229.9599 78.38515       154.3344 18.12019 8.886489 20.84653 9.160740 -2.726343 
12.76279 
1 1 1 -31 -7  1  o 18.10901 6.184018  -98.19127      128.9662 -78.56096      
234.4439 -106.7090      154.4316 19.91850 9.579393 16.29952 7.823269 3.618979 
12.36804 
1 1 1 -31 -7  2  o 29.33208 7.514614  309.2925       131.4146 168.3781       
231.2681 376.4900       159.7034 24.50815 10.95238 34.15600 10.29189 -9.647852 
15.02923 
1 1 1 -31 -6  1  o 26.73880 10.21991  229.9563       160.2839 0.000000       
0.000000 229.9563       160.2839 ?        ?        26.73880 10.21991 ? ? 
1 1 1 -31 -6  2  o 22.13298 7.121665  44.34521       132.1918 249.3950       
241.5965 -43.27557      157.9300 26.55823 11.56732 17.70773 8.310813 8.850498 
14.24333 
1 1 1 -31 -5  1  o 22.67098 7.256378  83.01131       142.1433 207.5116       
236.6013 12.69796       177.8079 25.55389 11.27808 19.78806 9.133726 5.765827 
14.51276 
1 1 1 -31 -5  2  o 23.83041 7.317173  95.43398       131.6596 340.4718       
227.9891 -27.16883      161.2678 29.45112 11.90065 18.20969 8.516954 11.24143 
14.63435 
1 1 1 -31 -4  1  o 21.51662 7.017757  -20.54261      141.0292 260.0919       
239.8870 -168.7666      174.3394 26.85829 11.60937 16.17495 7.887857 10.68334 
14.03551 
1 1 1 -30 -17 1  o 23.51723 7.207759  144.2664       128.8619 151.3003       
215.4592 140.3492       160.7888 23.96637 10.64599 23.06808 9.719573 0.8982906 
14.41552 
1 1 1 -30 -16 1  o 25.82558 7.434728  209.1567       125.5596 190.9555       
215.7463 218.4788       154.4010 25.22659 10.95827 26.42458 10.05072 -1.197985 
14.86946 
1 1 1 -30 -16 2  o 18.74123 6.306711  -51.75302      131.4358 -194.2437      
252.0483 1.466934       154.0379 18.85295 9.264315 18.62951 8.559840 0.2234440 
12.61342 
1 1 1 -30 -15 1  o 24.99711 7.257519  171.8892       133.0521 12.70529       
217.0098 267.7714       168.4219 21.27423 9.922875 28.71998 10.59353 -7.445749 
14.51504 
1 1 1 -30 -15 2  o 20.88197 6.722030  24.56261       117.5401 173.8840       
214.5216 -39.49732      140.5087 24.71554 10.83094 17.04841 7.964507 7.667128 
13.44406 
1 1 1 -30 -15 3  o 27.34631 7.806387  241.8555       127.6401 333.9644       
247.9956 208.6627       148.8726 28.83065 12.10559 25.86197 9.859679 2.968672 
15.61277 
1 1 1 -30 -14 1  o 23.66062 6.856500  123.4454       125.0613 -114.2428      
218.3886 239.4249       152.5516 19.28523 9.267694 28.03601 10.10723 -8.750784 
13.71300 
1 1 1 -30 -14 2  o 21.83340 6.899629  52.85224       118.7880 197.8302       
216.5985 -9.509168      142.0569 25.65215 11.05900 18.01465 8.253359 7.637503 
13.79926 
1 1 1 -30 -14 3  o 23.14327 7.178648  129.4457       130.9413 116.1806       
223.0748 136.4187       161.7361 23.28361 10.56402 23.00294 9.722831 0.2806740 
14.35730 
1 1 1 -30 -13 1  o 18.59940 6.275068  -126.3493      122.1064 56.52427       
217.5011 -210.5133      147.5534 22.74662 10.35045 14.45218 7.097466 8.294439 
12.55014 
1 1 1 -30 -13 2  o 17.72155 6.021617  -105.8892      124.7331 -189.9993      
227.9297 -69.93188      149.0288 18.45755 9.004235 16.98556 7.997703 1.471989 
12.04323 
1 1 1 -30 -13 3  o 19.05880 6.271774  -8.587390      117.1764 -81.55169      
214.5819 22.41433       139.8720 19.35631 9.273805 18.76128 8.446133 0.5950336 
12.54355 
1 1 1 -30 -13 4  o 23.27872 7.003267  143.2856       121.0305 96.44115       
195.8161 172.2442       153.9605 22.29108 10.01665 24.26635 9.790283 -1.975273 
14.00653 
1 1 1 -30 -12 1  o 19.60212 6.501009  -68.25346      122.2276 69.09417       
218.9413 -130.4408      147.3222 23.30112 10.52425 15.90312 7.634963 7.398003 
13.00202 
1 1 1 -30 -12 2  o 22.99662 7.103051  95.37430       119.0429 166.0451       
221.6574 66.72817       141.1221 25.38502 11.06778 20.60822 8.906038 4.776793 
14.20610 
1 1 1 -30 -12 3  o 22.50436 7.047553  87.86193       122.5344 163.4591       
220.1125 53.91328       147.5038 24.84714 10.92931 20.16157 8.900683 4.685572 
14.09511 
1 1 1 -30 -12 4  o 24.36882 7.193623  168.3248       120.1568 187.3242       
197.8952 157.2305       151.2226 25.00519 10.66897 23.73246 9.652246 1.272734 
14.38725 
1 1 1 -30 -12 5  o 21.79881 6.739213  92.63490       122.9694 -18.98070      
196.5977 164.3668       157.6057 19.67189 9.240163 23.92573 9.812612 -4.253845 
13.47843 
1 1 1 -30 -11 1  o 20.35699 6.590841  -3.391476      125.8808 -118.7229      
223.2496 50.36847       152.4215 19.87431 9.506861 20.83967 9.131065 
-0.9653645     13.18168 
1 1 1 -30 -11 2  o 22.81458 6.774867  95.21381       122.4571 -133.6008      
221.3556 196.1252       147.0005 19.32037 9.295738 26.30879 9.858221 -6.988422 
13.54973 
1 1 1 -30 -11 3  o 25.02820 7.411327  166.2735       124.4292 208.1845       
221.9084 147.0531       150.2763 26.31866 11.26570 23.73775 9.633018 2.580904 
14.82265 
1 1 1 -30 -11 4  f 17.82029 6.012154  -111.3914      118.2552 42.35846       
195.9650 -199.4447      148.3010 21.20129 9.705106 14.43929 7.098937 6.762001 
12.02431 
1 1 1 -30 -11 5  o 21.60351 6.788143  60.73181       119.2322 198.2503       
198.7763 -16.55442      149.0167 25.23098 10.72673 17.97603 8.321822 7.254955 
13.57629 
1 1 1 -30 -10 1  o 25.09922 7.483044  89.54343       124.5861 318.8172       
233.4803 -1.725996      147.3112 31.12456 12.23233 19.07387 8.622865 12.05069 
14.96609 
1 1 1 -30 -10 2  o 23.12975 7.157557  95.32728       129.4795 55.32586       
227.5780 114.4732       157.4458 23.18329 10.55941 23.07622 9.665470 0.1070728 
14.31511 
1 1 1 -30 -10 3  o 19.16839 6.373282  -42.79990      123.1510 -36.51898      
220.3318 -45.65364      148.5157 20.72367 9.748087 17.61312 8.212776 3.110542 
12.74656 
1 1 1 -30 -10 4  o 19.38066 6.327606  -0.4748275     118.1593 -32.23150      
198.1813 17.04005       147.1800 19.76542 9.282563 18.99589 8.601652 0.7695313 
12.65521 
1 1 1 -30 -10 5  o 25.21269 6.927251  186.9343       120.8353 -3.697415      
202.3240 292.6327       150.6551 20.24329 9.483834 30.18208 10.09971 -9.938786 
13.85450 
1 1 1 -30 -9  1  o 21.29242 6.897484  -1.814594      127.3786 75.16029       
232.0918 -34.99466      152.3786 24.11571 10.86696 18.46912 8.497671 5.646589 
13.79497 
1 1 1 -30 -9  2  o 22.64680 7.211394  61.85666       130.1691 62.11911       
263.0512 61.77156       149.7948 24.24602 11.15956 21.04759 9.136792 3.198421 
14.42279 
1 1 1 -30 -9  3  o 20.37160 6.662541  -8.283525      124.3416 54.74500       
223.9168 -36.38422      149.5122 22.78688 10.40724 17.95632 8.321484 4.830564 
13.32508 
1 1 1 -30 -9  4  o 27.55133 7.600054  213.6909       121.9559 368.0647       
210.5754 135.7765       149.5993 31.91036 11.83022 23.19230 9.544059 8.718054 
15.20011 
1 1 1 -30 -9  5  o 29.00602 7.769755  284.2398       127.1925 329.3888       
208.0496 257.2939       160.7274 29.88851 11.59005 28.12354 10.35119 1.764975 
15.53951 
1 1 1 -30 -9  6  o 23.97619 7.297579  158.8406       131.6460 181.9480       
203.1054 142.0994       172.8775 24.70770 10.68109 23.24469 9.946506 1.463015 
14.59516 
1 1 1 -30 -8  1  o 29.15944 7.769067  253.9463       130.9763 195.7133       
228.1116 282.5865       159.9746 27.27057 11.53774 31.04831 10.40740 -3.777744 
15.53813 
1 1 1 -30 -8  2  o 24.76879 7.414109  138.7886       126.1351 154.7894       
230.0091 131.9071       150.8393 25.81563 11.26476 23.72196 9.642676 2.093666 
14.82822 
1 1 1 -30 -8  3  o 23.83864 7.292820  119.2080       126.1010 147.1367       
229.9433 107.1961       150.7996 25.19239 11.11844 22.48489 9.440408 2.707495 
14.58564 
1 1 1 -30 -8  4  o 18.75803 6.250266  -49.70618      124.8455 -80.12784      
201.9366 -30.88416      158.8389 19.14894 9.131538 18.36711 8.536880 0.7818298 
12.50053 
1 1 1 -30 -8  5  o 26.37371 7.640826  223.7346       134.5860 220.4315       
203.2549 226.3136       179.5994 26.19972 10.97820 26.54771 10.63052 
-0.3479900     15.28165 
1 1 1 -30 -8  6  o 30.72359 8.044198  339.0495       137.5421 409.7557       
208.2583 284.3499       183.1749 32.91052 11.81480 28.53666 10.92003 4.373857 
16.08840 
1 1 1 -30 -7  1  o 16.99138 5.855224  -182.8550      126.3362 -348.9092      
240.7902 -119.7797      148.4032 17.66882 8.742583 16.31395 7.791136 1.354874 
11.71045 
1 1 1 -30 -7  2  o 23.66380 7.204297  110.8624       128.1357 38.25092       
234.0421 141.9439       153.1235 23.13900 10.59798 24.18859 9.761683 -1.049587 
14.40859 
1 1 1 -30 -7  3  f 20.83092 6.710619  24.76988       124.6969 -26.00134      
223.8876 47.60221       150.1400 21.23169 9.952181 20.43016 9.004651 0.8015347 
13.42124 
1 1 1 -30 -7  4  o 18.88105 6.245188  -65.37186      129.3768 -231.0924      
201.2318 51.39459       168.9147 16.84514 8.277748 20.91697 9.353523 -4.071821 
12.49038 
1 1 1 -30 -7  5  o 25.54175 7.535147  188.6062       134.1320 274.1778       
204.5730 124.0783       177.6466 28.08157 11.30360 23.00193 9.967067 5.079638 
15.07029 
1 1 1 -30 -7  6  o 19.67367 6.504841  -9.087950      133.3039 -11.43850      
199.3693 -7.187467      179.2691 19.95636 9.361032 19.39097 9.034540 0.5653915 
13.00968 
1 1 1 -30 -6  1  o 23.46454 7.273911  86.40776       130.5369 118.1370       
226.4017 70.60712       159.7669 25.04912 11.04678 21.87995 9.466135 3.169167 
14.54782 
1 1 1 -30 -6  2  o 24.67023 10.97866  111.2636       230.2115 111.2636       
230.2115 0.000000       0.000000 24.67023 10.97866 ?        ?        ? ? 
1 1 1 -30 -6  3  o 22.34783 7.098539  6.857091       132.3214 233.2322       
229.3841 -106.0396      161.9905 27.59191 11.61662 17.10375 8.161565 10.48816 
14.19708 
1 1 1 -30 -6  4  f 29.92396 8.036887  299.5908       137.6730 352.6619       
214.6135 262.4797       179.4651 31.35302 11.87165 28.49490 10.83652 2.858124 
16.07377 
1 1 1 -30 -6  5  o 34.17828 7.531821  399.8015       136.7924 204.0776       
203.4531 561.2765       184.7970 25.73806 10.89318 42.61850 10.40442 -16.88043 
15.06364 
1 1 1 -30 -6  6  o 22.15433 7.016212  90.94480       133.5792 130.5236       
202.5061 60.45872       177.7288 23.33002 10.34747 20.97863 9.478332 2.351395 
14.03242 
1 1 1 -30 -5  1  o 22.93705 7.279139  39.49906       138.3528 165.2575       
235.7998 -26.52395      170.8530 26.34468 11.45029 19.52941 8.990790 6.815264 
14.55828 
1 1 1 -30 -5  2  o 16.57368 5.731219  -239.5871      135.5182 -448.6841      
227.7183 -124.9244      168.6302 15.93562 7.967810 17.21174 8.240237 -1.276125 
11.46244 
1 1 1 -30 -5  3  f 20.33827 9.312190  5.106705       180.5343 0.000000       
0.000000 5.106705       180.5343 ?        ?        20.33827 9.312190 ? ? 
1 1 1 -30 -5  4  o 16.40067 4.495425  44.32904       47.32807 88.37231       
66.03812 -2.182258      67.86317 19.17903 6.675693 13.62232 6.022501 5.556710 
8.990850 
1 1 1 -30 -5  5  o 23.85634 7.310079  145.8938       134.3800 149.7249       
204.5691 142.9858       178.2267 24.11436 10.57204 23.59833 10.09857 0.5160332 
14.62016 
1 1 1 -30 -5  6  o 36.67919 8.091786  459.0523       139.0510 609.4781       
215.9720 352.5477       181.7275 41.67857 11.80559 31.67981 11.06960 9.998766 
16.18357 
1 1 1 -30 -4  1  o 19.81836 6.501573  -65.72273      138.0240 -301.9607      
231.4639 64.63202       171.9380 17.67456 8.704456 21.96216 9.659930 -4.287601 
13.00315 
1 1 1 -30 -4  2  o 25.17563 7.304068  151.4030       137.8181 -53.57904      
233.4596 261.0466       170.7440 21.13931 9.970021 29.21196 10.67691 -8.072651 
14.60814 
1 1 1 -30 -4  3  o 27.76878 7.665486  241.2738       138.8116 111.9698       
223.1684 322.8680       177.2786 23.98807 10.73839 31.54949 10.94192 -7.561428 
15.33097 
1 1 1 -30 -4  4  o 26.06592 7.658433  206.2899       137.8401 198.9130       
212.7853 211.6237       180.9353 25.85826 11.04895 26.27358 10.60787 
-0.4153194     15.31687 
1 1 1 -30 -4  5  o 28.08549 11.41587  279.9800       211.4058 279.9800       
211.4058 0.000000       0.000000 28.08549 11.41587 ?        ?        ? ? 
1 1 1 -30 -4  6  o 22.33305 6.950204  98.06139       132.6026 -17.06576      
204.0244 182.2595       174.4795 19.97983 9.393015 24.68626 10.24659 -4.706434 
13.90041 
1 1 1 -30 -3  1  o 19.22603 6.462816  -95.12362      141.6683 -240.2065      
247.6080 -24.51707      172.7345 18.96333 9.279247 19.48873 8.998196 
-0.5254002     12.92563 
1 1 1 -30 -3  2  o 18.29124 6.224362  -125.8770      136.9278 -186.0869      
230.0355 -92.83681      170.4050 18.82616 9.155387 17.75632 8.435024 1.069849 
12.44872 
1 1 1 -30 -3  3  o 26.17095 7.551895  203.1632       130.4206 212.9115       
197.3539 195.6052       173.7735 26.49150 10.94064 25.85040 10.41282 0.6410980 
15.10379 
1 1 1 -30 -3  4  o 19.17452 6.230411  -50.07300      122.1011 -224.1360      
173.9391 119.0283       171.4421 15.51860 7.644157 22.83045 9.840678 -7.311847 
12.46082 
1 1 1 -30 -3  5  o 22.41673 7.028026  103.8854       131.1327 83.41970       
201.8941 118.8193       172.4633 22.20461 10.06348 22.62884 9.813206 
-0.4242249     14.05605 
1 1 1 -30 -3  6  o 22.65538 9.837173  123.1564       173.7212 0.000000       
0.000000 123.1564       173.7212 ?        ?        22.65538 9.837173 ? ? 
1 1 1 -30 -2  1  o 25.49082 7.506676  171.5959       140.9443 36.17838       
235.6977 246.9742       175.8495 22.71867 10.49769 28.26296 10.73309 -5.544285 
15.01335 
1 1 1 -30 -2  2  o 21.54431 6.939368  40.27300       139.1342 -60.88803      
234.0410 95.56611       173.0298 20.68143 9.853359 22.40720 9.773978 -1.725775 
13.87874 
1 1 1 -30 -2  3  o 25.58185 7.094621  161.5005       126.2169 -21.35575      
180.7562 335.4944       176.3216 19.42386 9.058403 31.73983 10.92153 -12.31597 
14.18924 
1 1 1 -30 -2  4  o 32.92386 7.860554  372.2729       129.3328 405.4167       
185.3014 340.7904       180.5977 34.37942 11.20099 31.46829 11.03137 2.911129 
15.72111 
1 1 1 -30 -2  5  o 18.27565 6.081549  -49.29712      120.9062 -104.9153      
170.9960 6.309461       170.9782 17.12209 8.221488 19.42921 8.963709 -2.307119 
12.16310 
1 1 1 -30 -2  6  o 17.84072 5.934314  -57.75795      117.3798 -149.0185      
175.5694 16.00389       157.8422 16.53714 8.028430 19.14430 8.741203 -2.607161 
11.86863 
1 1 1 -30 -1  1  o 24.97694 7.625253  161.2115       141.3616 183.4498       
240.2715 149.4386       174.8198 25.80020 11.37880 24.15368 10.15386 1.646524 
15.25051 
1 1 1 -30 -1  2  o 26.85372 7.905049  212.1034       141.8598 334.1895       
239.8159 146.3893       175.9440 29.82323 12.14650 23.88420 10.12036 5.939032 
15.81010 
1 1 1 -30 -1  3  o 30.66842 7.861474  325.7579       130.6632 319.1783       
187.9886 331.9075       181.7411 30.27027 11.18664 31.06657 11.04854 
-0.7963066     15.72295 
1 1 1 -30 -1  4  o 15.22768 5.249302  -167.7732      109.0983 -101.1120      
139.5939 -272.3919      174.8777 15.62141 7.483293 14.83395 7.363492 0.7874660 
10.49860 
1 1 1 -30 -1  5  o 23.69667 7.018011  141.9161       121.6167 246.7087       
174.8828 43.77695       169.2399 27.13321 10.60457 20.26014 9.195266 6.873072 
14.03602 
1 1 1 -30 0   1  f 31.96599 7.722589  370.0674       137.3704 220.4221       
252.6196 432.8961       163.6871 26.38252 11.64743 37.54947 10.14352 -11.16694 
15.44518 
1 1 1 -30 0   2  o 20.01675 6.643573  -24.61366      136.7275 62.01750       
219.8884 -79.22300      174.5816 22.19403 10.21002 17.83948 8.503166 4.354548 
13.28715 
1 1 1 -30 0   3  o 25.25796 7.110886  190.9108       119.0329 99.54969       
179.3109 262.8922       159.1608 22.15067 9.791680 28.36525 10.31416 -6.214584 
14.22177 
1 1 1 -30 0   4  o 17.92516 6.030034  -75.64865      125.1429 -35.58294      
178.4298 -114.4371      175.5627 18.72513 8.797611 17.12518 8.249078 1.599955 
12.06007 
1 1 1 -30 1   1  o 19.91893 6.599527  -18.29626      141.2321 -156.1151      
237.5660 57.03726       175.6403 18.94603 9.233545 20.89184 9.431684 -1.945807 
13.19905 
1 1 1 -30 1   2  f 22.89129 7.169773  108.8451       135.5008 192.8438       
207.8648 46.77592       178.6829 25.11994 10.83170 20.66265 9.396636 4.457287 
14.33955 
1 1 1 -30 1   3  o 27.25076 7.529939  242.6015       128.7185 339.0884       
185.9523 153.8366       178.3561 30.81189 11.15393 23.68963 10.11878 7.122261 
15.05988 
1 1 1 -30 2   1  o 24.40396 7.823318  157.7996       174.2904 122.0000       
246.1937 193.7685       246.7750 23.62671 10.84152 25.18121 11.28179 -1.554493 
15.64664 
1 1 1 -29 -20 1  o 20.28293 6.632880  11.56501       131.1414 90.44289       
203.4514 -44.50352      171.5311 22.28812 10.10172 18.27773 8.598580 4.010384 
13.26576 
1 1 1 -29 -19 1  o 22.76479 7.187387  81.47216       150.6945 -113.4304      
243.4880 202.4756       191.8526 19.83016 9.587265 25.69942 10.71067 -5.869253 
14.37477 
1 1 1 -29 -19 2  f 30.99563 7.284224  338.1696       141.9217 29.14445       
236.0003 513.2344       177.6295 21.69452 10.17787 40.29674 10.42356 -18.60222 
14.56845 
1 1 1 -29 -18 1  o 25.37925 7.451169  132.1372       134.3731 340.4750       
214.4595 -2.515972      172.4128 31.04731 11.83467 19.71120 9.056498 11.33611 
14.90234 
1 1 1 -29 -18 2  o 21.85481 6.751256  94.30774       115.6517 30.82029       
210.6963 121.6846       138.3581 21.40006 9.902491 22.30957 9.179245 
-0.9095078     13.50251 
1 1 1 -29 -18 3  o 27.96834 7.408786  271.6421       124.4524 159.3590       
241.0293 312.4593       145.3229 24.43478 11.03900 31.50190 9.884380 -7.067116 
14.81757 
1 1 1 -29 -17 1  o 21.44754 6.969125  7.527269       134.2318 65.00187       
239.3744 -18.83565      162.1200 23.71639 10.80957 19.17868 8.799314 4.537710 
13.93825 
1 1 1 -29 -17 2  o 30.15078 8.099037  269.7057       129.5039 443.5061       
246.0500 203.1099       152.3074 33.97955 12.74986 26.32202 9.990927 7.657534 
16.19807 
1 1 1 -29 -17 3  o 19.25142 6.322471  -10.24128      114.7964 29.92615       
203.0598 -29.10898      139.1703 21.16399 9.765757 17.33884 8.032718 3.825142 
12.64494 
1 1 1 -29 -17 4  o 30.45369 7.487685  322.4827       122.5946 246.4777       
199.9104 368.2949       155.2045 26.83903 11.03676 34.06834 10.12183 -7.229307 
14.97537 
1 1 1 -29 -16 1  o 25.23559 7.405526  148.1974       134.7489 1.950209       
242.1528 213.7954       162.1776 22.85576 10.59135 27.61543 10.35328 -4.759668 
14.81105 
1 1 1 -29 -16 2  o 35.27526 7.554504  380.8506       118.6712 379.5846       
215.0977 381.4045       142.2852 33.43234 12.00673 37.11818 9.171732 -3.685837 
15.10901 
1 1 1 -29 -16 3  o 20.17636 6.662490  -22.17339      118.6487 95.73162       
238.3939 -60.99560      136.7947 23.78075 10.82507 16.57198 7.770002 7.208765 
13.32498 
1 1 1 -29 -16 4  o 25.91975 7.333079  205.5519       119.6622 231.2866       
184.1266 186.7353       157.4445 26.73205 10.73898 25.10746 9.988523 1.624594 
14.66616 
1 1 1 -29 -16 5  o 15.61105 5.404031  -260.4711      108.1377 35.09878       
177.2337 -435.7587      136.4872 20.29528 9.265016 10.92681 5.565401 9.368472 
10.80806 
1 1 1 -29 -15 1  o 22.96677 7.143319  9.040151       130.9692 223.2891       
221.6910 -105.8252      162.3242 28.42328 11.64427 17.51027 8.277616 10.91302 
14.28664 
1 1 1 -29 -15 2  o 21.76736 6.860365  29.86442       118.8318 131.1556       
209.2668 -18.34100      144.3651 25.04673 10.83495 18.48800 8.417971 6.558729 
13.72073 
1 1 1 -29 -15 3  o 26.63528 7.554121  180.3081       121.0763 296.8596       
215.3575 126.4425       146.4053 30.00998 11.75993 23.26058 9.484878 6.749392 
15.10824 
1 1 1 -29 -15 4  o 24.61857 6.750708  166.9516       109.0869 32.05979       
186.2332 237.4082       134.5939 20.95846 9.547704 28.27868 9.546181 -7.320223 
13.50142 
1 1 1 -29 -15 5  o 22.44360 6.999932  105.8055       126.6547 85.42867       
215.3224 116.5855       156.6136 22.57258 10.27854 22.31463 9.505148 0.2579479 
13.99986 
1 1 1 -29 -15 6  o 19.65005 6.234391  34.34386       110.9054 -78.91872      
181.1653 102.2323       140.2587 17.98631 8.594223 21.31379 9.033817 -3.327475 
12.46878 
1 1 1 -29 -14 1  f 21.70657 6.875881  25.67504       127.6769 -14.42483      
210.6862 48.94836       160.5069 21.86577 10.03172 21.54736 9.406143 0.3184071 
13.75176 
1 1 1 -29 -14 2  o 26.78531 7.751708  159.6754       120.7252 274.4839       
251.4090 125.2683       137.6316 30.05567 12.37118 23.51495 9.343966 6.540718 
15.50342 
1 1 1 -29 -14 3  o 20.52029 6.616508  -4.089459      118.4333 66.46716       
206.4680 -38.68975      144.5852 23.13281 10.34284 17.90776 8.254590 5.225050 
13.23302 
1 1 1 -29 -14 4  o 27.57196 7.733771  190.6835       122.9352 373.6423       
230.3403 117.8103       145.3708 32.35500 12.28488 22.78892 9.398217 9.566072 
15.46754 
1 1 1 -29 -14 5  o 21.15262 6.632401  44.15071       112.5013 165.9887       
189.9822 -21.64555      139.6118 24.67761 10.48898 17.62764 8.120111 7.049969 
13.26480 
1 1 1 -29 -14 6  o 23.74703 7.279524  134.7914       130.9083 233.6286       
212.3335 74.18820       166.2670 26.39759 11.14815 21.09647 9.364001 5.301119 
14.55905 
1 1 1 -29 -13 1  o 22.58650 6.805269  61.82618       122.0785 -125.9008      
213.3239 153.2432       148.8640 19.87465 9.439594 25.29836 9.805141 -5.423716 
13.61054 
1 1 1 -29 -13 2  o 26.43631 6.834615  178.3468       121.4150 -193.5751      
252.3100 290.4250       138.5061 20.29093 9.801291 32.58169 9.527987 -12.29076 
13.66923 
1 1 1 -29 -13 3  o 22.60832 6.951265  75.38822       115.5016 88.76629       
210.2395 69.60497       138.2306 24.06109 10.62369 21.15556 8.967587 2.905529 
13.90253 
1 1 1 -29 -13 4  o 25.46172 7.344926  158.3765       117.4536 212.2601       
207.1971 132.8630       142.5739 27.31590 11.23503 23.60753 9.463921 3.708376 
14.68985 
1 1 1 -29 -13 5  o 23.78867 7.247638  125.0714       125.3940 159.4629       
218.3126 108.1391       153.1828 25.14422 10.97317 22.43312 9.471143 2.711094 
14.49528 
1 1 1 -29 -13 6  o 22.18524 6.753080  107.2850       112.6818 92.42315       
184.0173 116.2008       142.5285 22.22228 9.859014 22.14820 9.231263 
0.7407379E-01  13.50616 
1 1 1 -29 -13 7  o 17.74310 6.069430  -140.5289      122.2949 44.02063       
216.4479 -227.0705      148.2210 21.53056 9.991132 13.95565 6.894143 7.574909 
12.13886 
1 1 1 -29 -12 1  o 24.53436 7.390339  79.26765       127.6186 212.1368       
221.6317 13.36149       156.0928 28.66349 11.67599 20.40524 9.063096 8.258253 
14.78068 
1 1 1 -29 -12 2  o 25.88734 7.693197  111.7198       126.5289 272.9926       
247.9635 54.94516       147.1244 30.53361 12.38093 21.24107 9.135296 9.292538 
15.38639 
1 1 1 -29 -12 3  o 34.19485 7.889489  346.0912       125.0118 360.2810       
232.4941 340.3201       148.2699 33.35043 12.41738 35.03928 9.735746 -1.688854 
15.77898 
1 1 1 -29 -12 4  o 25.48512 7.388824  152.2490       123.0956 212.4899       
200.2563 115.6637       156.0606 27.58065 11.14986 23.38960 9.698427 4.191044 
14.77765 
1 1 1 -29 -12 5  o 49.33757 6.824032  664.0535       134.2206 730.9230       
220.7101 624.8107       169.0783 49.43454 10.92603 49.24060 8.178723 0.1939430 
13.64806 
1 1 1 -29 -12 6  o 20.58053 6.483055  37.06844       120.4776 -174.2513      
223.1330 124.0253       143.1350 18.49229 9.000559 22.66877 9.333270 -4.176477 
12.96611 
1 1 1 -29 -12 7  o 29.10780 7.653124  290.1355       125.1858 279.7341       
191.0464 297.9620       165.7213 28.33657 11.08199 29.87902 10.55797 -1.542450 
15.30625 
1 1 1 -29 -11 1  o 19.53398 6.536289  -84.79076      126.9173 -153.4140      
251.2133 -61.27206      147.0665 21.17440 10.11820 17.89355 8.277342 3.280851 
13.07258 
1 1 1 -29 -11 2  f 28.90220 7.371996  232.9784       120.9095 107.6174       
216.9715 289.4418       145.6147 25.28297 10.98615 32.52143 9.833092 -7.238457 
14.74399 
1 1 1 -29 -11 3  o 28.13702 7.200313  217.5712       123.7034 18.46211       
219.4947 310.2507       149.7512 22.89520 10.41264 33.37885 9.947613 -10.48364 
14.40063 
1 1 1 -29 -11 4  o 27.68116 7.202980  216.2969       119.9712 59.99664       
216.0558 285.9733       144.2543 23.50112 10.54198 31.86119 9.818263 -8.360071 
14.40596 
1 1 1 -29 -11 5  o 32.32784 6.848911  324.1108       119.6497 93.81831       
199.1166 454.2607       149.6889 23.58973 10.38551 41.06594 8.931490 -17.47620 
13.69782 
1 1 1 -29 -11 6  o 49.61469 7.436442  709.8325       148.4431 886.6062       
235.0387 592.5326       191.4606 54.63715 10.62562 44.59224 10.40668 10.04491 
14.87288 
1 1 1 -29 -11 7  o 44.61923 7.482698  577.4753       140.8647 945.6636       
232.4514 363.7944       177.0842 56.34494 10.20121 32.89352 10.94982 23.45142 
14.96540 
1 1 1 -29 -11 8  o 21.66483 6.799047  83.01619       126.7038 -1.219508      
192.9658 146.8587       167.9915 19.94902 9.325012 23.38064 9.897086 -3.431618 
13.59809 
1 1 1 -29 -10 1  o 38.05996 8.143004  394.5594       133.2221 522.4329       
239.7343 337.4280       160.2425 41.08524 12.65640 35.03468 10.24937 6.050564 
16.28601 
1 1 1 -29 -10 2  o 24.21316 7.259257  100.3860       120.5364 125.3785       
216.8320 89.20871       145.0060 25.86186 11.10530 22.56446 9.351984 3.297396 
14.51851 
1 1 1 -29 -10 3  o 21.10437 6.800746  -8.311260      121.5430 46.48214       
223.9009 -31.20356      144.7226 23.77899 10.69664 18.42974 8.401341 5.349253 
13.60149 
1 1 1 -29 -10 4  o 24.00880 7.161429  110.8409       118.7888 132.1810       
203.0993 99.74503       146.4505 25.28946 10.79987 22.72813 9.407824 2.561325 
14.32286 
1 1 1 -29 -10 5  o 17.88447 6.019971  -120.7924      120.4689 -43.24628      
190.3441 -172.6112      155.5978 20.04504 9.327735 15.72390 7.612726 4.321132 
12.03994 
1 1 1 -29 -10 6  o 26.74823 7.538301  178.8653       129.5799 332.5688       
202.8481 72.90451       168.4232 31.60427 11.62904 21.89220 9.595281 9.712061 
15.07660 
1 1 1 -29 -10 7  o 25.71684 7.487710  194.3772       130.7191 224.1503       
188.0560 166.5427       181.8306 26.74614 10.80802 24.68754 10.36581 2.058601 
14.97542 
1 1 1 -29 -10 8  o 21.02279 6.833090  -8.275063      132.6398 205.0887       
222.1198 -126.5270      165.3602 25.56693 11.11273 16.47864 7.954351 9.088282 
13.66618 
1 1 1 -29 -9  1  o 19.13878 6.413207  -180.3102      128.1074 45.17010       
219.9368 -296.0921      157.6028 23.99875 10.70389 14.27881 7.067081 9.719939 
12.82641 
1 1 1 -29 -9  2  o 26.52328 7.432046  83.48997       123.1115 366.5791       
222.7043 -41.09002      147.7376 34.60176 12.23802 18.44480 8.436360 16.15696 
14.86409 
1 1 1 -29 -9  3  o 23.18412 7.011339  83.82580       121.0958 -9.521277      
217.3940 125.8206       145.8126 22.34539 10.22597 24.02285 9.595052 -1.677458 
14.02268 
1 1 1 -29 -9  4  o 22.52939 7.000761  58.31673       127.8849 12.03769       
201.5608 89.49939       165.4514 22.05451 10.01638 23.00427 9.783392 
-0.9497604     14.00152 
1 1 1 -29 -9  5  o 23.90813 7.140723  111.3002       126.1351 34.42471       
193.0767 168.5383       166.6013 22.06407 9.928708 25.75220 10.26550 -3.688131 
14.28145 
1 1 1 -29 -9  6  o 24.12772 7.209530  130.3665       125.8970 103.2710       
191.0676 151.1571       167.3675 23.55760 10.27334 24.69785 10.11770 -1.140247 
14.41906 
1 1 1 -29 -9  7  o 22.16671 6.944996  80.06001       128.2304 85.04377       
189.0672 75.81474       174.4981 22.48064 9.981020 21.85278 9.659769 0.6278629 
13.88999 
1 1 1 -29 -9  8  o 28.39296 7.761279  271.6996       130.0659 308.0919       
202.6274 246.1969       169.6236 29.30613 11.42280 27.47978 10.51045 1.826353 
15.52256 
1 1 1 -29 -9  9  o 27.03110 7.750965  237.7125       146.9129 89.13632       
210.4441 378.9598       205.1881 22.36558 10.17816 31.69662 11.69251 -9.331038 
15.50193 
1 1 1 -29 -8  1  o 28.73314 7.844168  208.7306       128.5812 231.8438       
226.1273 197.6865       156.3111 29.68939 11.91176 27.77688 10.20950 1.912510 
15.68834 
1 1 1 -29 -8  2  o 26.05526 7.512463  147.9911       122.1832 161.8219       
225.2924 142.2280       145.4277 27.22402 11.48956 24.88649 9.681859 2.337530 
15.02493 
1 1 1 -29 -8  3  o 25.17836 7.212718  139.9751       121.6790 25.66248       
218.6447 191.2629       146.4534 23.21777 10.50023 27.13894 9.891335 -3.921169 
14.42544 
1 1 1 -29 -8  4  o 23.20767 7.048560  70.06666       131.2775 -81.15969      
212.4437 163.4837       166.9718 20.52829 9.635396 25.88705 10.29019 -5.358761 
14.09712 
1 1 1 -29 -8  5  o 23.36889 6.991498  23.77730       128.7932 263.5601       
197.5315 -153.5416      169.8653 29.76351 11.35430 16.97428 8.161129 12.78923 
13.98300 
1 1 1 -29 -8  6  o 26.06523 7.516539  174.5918       128.9477 226.3033       
195.3451 134.6592       171.6611 27.85906 11.11255 24.27139 10.12446 3.587669 
15.03308 
1 1 1 -29 -8  7  o 28.06224 7.683456  244.9321       128.3389 264.9236       
194.5697 229.5357       170.7513 28.66193 11.18893 27.46255 10.53328 1.199385 
15.36691 
1 1 1 -29 -8  8  o 16.96970 5.812623  -144.7140      123.6718 -86.92864      
193.2099 -184.8227      160.9682 18.54715 8.865335 15.39225 7.520117 3.154898 
11.62525 
1 1 1 -29 -8  9  o 18.22482 6.104273  -86.28115      128.8674 -222.7163      
185.9483 39.80433       178.7564 15.97713 7.869514 20.47252 9.333775 -4.495385 
12.20855 
1 1 1 -29 -7  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -29 -7  2  o 19.77551 6.481220  -49.23213      122.2103 -103.5408      
219.4110 -24.80507      147.1496 20.68048 9.727750 18.87054 8.567132 1.809935 
12.96244 
1 1 1 -29 -7  3  o 27.91806 7.541612  104.7884       129.7000 434.0285       
226.7889 -55.23254      158.1080 37.22328 12.39161 18.61284 8.599511 18.61044 
15.08322 
1 1 1 -29 -7  4  o 19.01355 6.292955  -93.41422      129.2138 -235.4469      
204.7329 0.6171042      166.5826 17.64702 8.595313 20.38008 9.193789 -2.733065 
12.58591 
1 1 1 -29 -7  5  o 27.72086 7.704040  210.6729       131.2801 197.1362       
200.9290 220.7557       173.4117 27.31442 11.12036 28.12730 10.66520 
-0.8128834     15.40808 
1 1 1 -29 -7  6  o 25.41183 7.367563  158.5750       129.3386 81.48244       
198.9759 214.9824       170.2012 23.32545 10.31235 27.49821 10.52518 -4.172762 
14.73513 
1 1 1 -29 -7  7  o 19.05858 6.317153  -56.91810      126.1836 1.179347       
189.6688 -103.0505      169.0132 20.61013 9.481848 17.50704 8.349865 3.103092 
12.63431 
1 1 1 -29 -7  8  f 32.63668 7.779006  359.1481       126.7392 341.3746       
199.6184 371.1515       164.0451 31.08707 11.51966 34.18630 10.45702 -3.099226 
15.55801 
1 1 1 -29 -7  9  o 23.42176 7.169681  140.3138       130.1020 114.1857       
184.9861 165.8878       183.0139 22.64700 9.986684 24.19653 10.28997 -1.549530 
14.33936 
1 1 1 -29 -6  1  o 30.97536 8.143124  255.5870       135.3616 324.5328       
233.8199 220.8328       166.0087 33.04283 12.42292 28.90788 10.53152 4.134947 
16.28625 
1 1 1 -29 -6  2  o 14.62875 7.162814  -227.4918      148.1593 0.000000       
0.000000 -227.4918      148.1593 ?        ?        14.62875 7.162814 ? ? 
1 1 1 -29 -6  3  o 19.87932 6.585261  -84.03835      133.3483 -35.76616      
218.5111 -112.6836      168.3261 21.86880 10.10603 17.88983 8.445757 3.978973 
13.17052 
1 1 1 -29 -6  4  o 21.36761 6.545899  -50.97007      131.0022 -388.6405      
202.9569 190.1861       171.5167 15.65854 7.794651 27.07668 10.51849 -11.41815 
13.09180 
1 1 1 -29 -6  5  o 24.10165 7.243824  111.2553       129.1184 66.07349       
199.2208 143.9807       169.5489 23.23795 10.29040 24.96536 10.19802 -1.727417 
14.48765 
1 1 1 -29 -6  6  o 25.55465 7.035249  126.1677       130.0191 -118.9327      
196.4129 317.3459       173.4671 18.79733 8.973821 32.31197 10.83741 -13.51463 
14.07050 
1 1 1 -29 -6  7  o 35.78773 7.416909  408.9656       129.6025 250.3709       
196.3785 531.3434       172.5047 28.33008 11.19158 43.24538 9.736051 -14.91531 
14.83382 
1 1 1 -29 -6  8  o 22.67057 7.014580  90.08548       124.5406 189.1021       
199.2790 26.62797       159.5325 25.52023 10.78992 19.82091 8.966325 5.699318 
14.02916 
1 1 1 -29 -6  9  o 28.63116 7.829522  286.9326       133.9445 273.4037       
191.6627 299.8480       187.2662 28.04293 11.06327 29.21939 11.08195 -1.176460 
15.65904 
1 1 1 -29 -5  1  o 26.79410 7.736185  147.0109       133.9369 246.7328       
220.3732 88.59758       168.6628 30.09886 11.86659 23.48934 9.928657 6.609522 
15.47237 
1 1 1 -29 -5  2  o 28.58212 7.893795  213.0447       133.8705 204.9721       
229.4252 217.2121       164.8428 28.59643 11.80223 28.56781 10.48596 
0.2862167E-01  15.78759 
1 1 1 -29 -5  3  o 26.70586 7.239523  129.1834       128.9871 335.9005       
187.8681 -55.16226      177.4114 33.79879 11.27830 19.61293 9.079804 14.18586 
14.47905 
1 1 1 -29 -5  4  f 28.76059 11.39073  228.0468       203.9106 228.0468       
203.9106 0.000000       0.000000 28.76059 11.39073 ?        ?        ? ? 
1 1 1 -29 -5  5  o 20.90115 6.536111  -40.95863      129.8401 -308.0610      
198.5709 158.5339       171.6090 16.25812 8.019062 25.54417 10.32364 -9.286047 
13.07222 
1 1 1 -29 -5  6  o 26.40575 7.588855  183.2834       130.1199 200.2663       
203.5502 171.5477       169.2072 27.08280 11.13686 25.72869 10.31180 1.354109 
15.17771 
1 1 1 -29 -5  7  o 26.84896 7.546900  202.6351       124.0951 258.3862       
200.6076 168.0773       157.9403 28.61988 11.30974 25.07803 9.995624 3.541849 
15.09380 
1 1 1 -29 -5  8  o 22.84835 7.080703  94.87057       127.0778 185.5316       
203.8000 37.19775       162.5472 25.45846 10.84357 20.23824 9.108377 5.220228 
14.16141 
1 1 1 -29 -5  9  o 23.26768 7.199184  130.1634       134.9384 89.12729       
196.6267 166.6947       185.5207 22.23103 10.01083 24.30433 10.34873 -2.073299 
14.39837 
1 1 1 -29 -4  1  o 19.28026 6.496653  -181.6455      134.7336 22.01103       
228.4289 -290.2960      166.8467 23.64337 10.71054 14.91715 7.355967 8.726217 
12.99331 
1 1 1 -29 -4  2  o 26.14124 7.023976  129.6949       125.3295 -86.21429      
187.3116 304.7057       168.6404 19.46272 9.119405 32.81975 10.68557 -13.35703 
14.04795 
1 1 1 -29 -4  3  o 22.87553 7.080590  50.82111       135.3643 -124.8831      
237.2152 135.6623       164.8371 20.89387 9.938118 24.85719 10.08825 -3.963326 
14.16118 
1 1 1 -29 -4  4  f 22.73856 6.987321  60.72666       128.3661 -36.39468      
196.7055 132.7653       169.4111 20.77328 9.595477 24.70384 10.15960 -3.930552 
13.97464 
1 1 1 -29 -4  5  o 32.42124 11.08780  317.1116       181.5753 0.000000       
0.000000 317.1116       181.5753 ?        ?        32.42124 11.08780 ? ? 
1 1 1 -29 -4  6  o 27.26091 7.629630  198.6814       127.4010 277.0177       
204.2615 148.8033       162.9896 29.82383 11.50074 24.69799 10.02885 5.125841 
15.25926 
1 1 1 -29 -4  7  o 27.34760 7.143466  202.1329       117.3506 338.7906       
168.6908 73.98316       163.3553 32.98059 10.68495 21.71461 9.484103 11.26599 
14.28693 
1 1 1 -29 -4  8  o 41.05848 7.871605  534.2553       136.2693 594.8528       
222.1576 497.7028       172.5409 41.46729 12.04787 40.64968 10.13398 0.8176079 
15.74321 
1 1 1 -29 -4  9  o 18.49776 6.199412  -77.51583      131.1363 25.01237       
186.4696 -177.8418      184.4561 20.42434 9.398547 16.57119 8.086911 3.853151 
12.39882 
1 1 1 -29 -4  10 o 21.39449 6.820568  67.15475       131.2586 130.4382       
181.9973 -1.442420      189.4843 22.98130 10.02423 19.80768 9.251778 3.173616 
13.64114 
1 1 1 -29 -3  1  o 23.18072 7.003470  48.89989       134.6597 -193.6504      
227.3511 179.9737       167.1299 19.49263 9.388917 26.86881 10.39436 -7.376184 
14.00694 
1 1 1 -29 -3  2  o 22.43783 7.073104  33.12786       135.6587 -63.92295      
227.6195 86.59077       168.9414 21.64085 10.12048 23.23481 9.883875 -1.593958 
14.14621 
1 1 1 -29 -3  3  o 26.98321 7.600465  167.3625       123.8372 263.6686       
212.8514 118.0828       152.2593 30.17654 11.71864 23.78987 9.682030 6.386667 
15.20093 
1 1 1 -29 -3  4  o 27.95678 7.166014  184.9745       121.9222 357.5117       
174.8876 21.82841       170.0615 34.88325 10.82299 21.03030 9.395209 13.85295 
14.33203 
1 1 1 -29 -3  5  o 26.23750 7.147313  181.7948       112.3623 146.8300       
171.7974 207.9324       148.5369 24.99489 10.24695 27.48010 9.966763 -2.485205 
14.29463 
1 1 1 -29 -3  6  o 29.01965 7.786798  240.7633       129.4897 341.0064       
204.9197 174.1283       167.0735 32.34282 11.70890 25.69648 10.26833 6.646347 
15.57360 
1 1 1 -29 -3  7  o 28.61515 11.36767  263.7081       203.6554 263.7081       
203.6554 0.000000       0.000000 28.61515 11.36767 ?        ?        ? ? 
1 1 1 -29 -3  8  o 22.29477 6.991917  73.01709       128.0723 179.4190       
204.5651 4.425937       164.2445 25.19363 10.80139 19.39591 8.881309 5.797722 
13.98383 
1 1 1 -29 -3  9  o 18.75218 6.264256  -59.34383      131.8974 -141.8253      
188.8663 19.18094       184.2806 17.29938 8.377523 20.20498 9.315619 -2.905592 
12.52851 
1 1 1 -29 -2  1  o 27.52130 7.324229  175.7373       139.1139 -127.7257      
238.5607 332.1017       171.2439 20.94991 9.965482 34.09270 10.73622 -13.14279 
14.64846 
1 1 1 -29 -2  2  o 28.82563 8.012977  197.7457       137.9653 351.1274       
233.1346 115.0799       171.1523 33.42781 12.43681 24.22346 10.10728 9.204351 
16.02595 
1 1 1 -29 -2  3  o 21.52456 6.865867  -5.534543      124.2399 116.1713       
213.1712 -68.14108      152.8912 25.17130 10.91283 17.87782 8.334911 7.293478 
13.73173 
1 1 1 -29 -2  4  o 44.19569 6.914913  527.0695       129.5977 726.2317       
193.1484 363.9821       174.7825 53.30645 8.630430 35.08493 10.80647 18.22152 
13.82983 
1 1 1 -29 -2  5  o 19.53305 6.192637  4.435735       107.6143 -78.53968      
171.5803 58.24205       138.1686 18.42341 8.649561 20.64270 8.864543 -2.219290 
12.38527 
1 1 1 -29 -2  6  o 19.69737 6.162813  -46.97596      115.6448 -284.2438      
171.6185 150.3693       156.5158 14.90220 7.375377 24.49254 9.875467 -9.590344 
12.32563 
1 1 1 -29 -2  7  o 26.62493 7.089464  188.7382       131.5187 -78.85919      
213.1109 353.3481       167.1447 19.73206 9.401714 33.51780 10.61366 -13.78574 
14.17893 
1 1 1 -29 -2  8  o 27.14650 11.85171  250.9542       254.8796 0.000000       
0.000000 250.9542       254.8796 ?        ?        27.14650 11.85171 ? ? 
1 1 1 -29 -2  9  o 18.51269 6.197741  -79.51659      132.4211 -213.4754      
193.3627 38.79896       181.7222 16.45635 8.095570 20.56903 9.386677 -4.112679 
12.39548 
1 1 1 -29 -1  1  o 27.13494 7.435869  139.0286       130.2135 351.8714       
201.8330 -12.72558      170.4249 34.03205 11.68741 20.23784 9.196365 13.79421 
14.87174 
1 1 1 -29 -1  2  o 25.82147 7.578567  150.7430       138.1123 49.04060       
236.0910 203.6553       170.2911 24.06922 10.89684 27.57371 10.53554 -3.504492 
15.15713 
1 1 1 -29 -1  3  o 22.48080 6.790650  68.30358       120.6472 -74.92445      
197.5492 153.5015       152.3617 19.88499 9.325871 25.07660 9.873188 -5.191607 
13.58130 
1 1 1 -29 -1  4  o 30.71476 7.128920  269.1318       105.9960 248.1514       
144.6273 293.4782       155.7972 29.61538 9.895597 31.81415 10.26466 -2.198771 
14.25784 
1 1 1 -29 -1  5  o 25.76291 7.107294  169.0175       109.7550 230.9368       
172.2821 126.7215       142.3892 28.13764 10.64175 23.38819 9.423780 4.749447 
14.21459 
1 1 1 -29 -1  6  o 26.46863 7.236405  198.0739       117.8714 131.1239       
172.8560 256.2629       161.1498 23.86532 10.06766 29.07193 10.39733 -5.206606 
14.47281 
1 1 1 -29 -1  7  o 22.60866 6.329676  41.56010       114.9078 -253.7070      
171.2334 283.4558       154.9869 15.07423 7.437886 30.14308 10.24388 -15.06884 
12.65935 
1 1 1 -29 -1  8  o 27.97497 6.507586  236.8289       108.7608 25.31115       
173.1728 374.6064       139.7640 20.10788 9.172723 35.84205 9.233411 -15.73417 
13.01517 
1 1 1 -29 -1  9  o 26.96082 10.97060  249.1943       195.4493 0.000000       
0.000000 249.1943       195.4493 ?        ?        26.96082 10.97060 ? ? 
1 1 1 -29 0   1  o 22.00447 6.779922  54.96177       119.9992 -30.71267      
193.7523 108.2759       152.8419 20.72034 9.552772 23.28860 9.623612 -2.568253 
13.55984 
1 1 1 -29 0   2  o 50.77846 7.554490  730.0944       150.2927 719.9974       
259.1306 735.2125       184.4931 47.34762 12.75021 54.20930 8.106389 -6.861687 
15.10898 
1 1 1 -29 0   3  o 22.21892 6.788988  34.48084       123.5761 185.2563       
177.7593 -106.5406      171.9133 26.51701 10.59324 17.92083 8.493801 8.596178 
13.57798 
1 1 1 -29 0   4  o 27.44188 7.371771  210.3661       121.1893 136.0439       
175.9986 277.3796       167.1209 24.45725 10.22996 30.42651 10.61696 -5.969261 
14.74354 
1 1 1 -29 0   5  o 20.73017 6.324192  57.74004       101.2669 14.76338       
140.4376 104.2901       146.1596 19.06227 8.526311 22.39807 9.342571 -3.335798 
12.64838 
1 1 1 -29 0   6  o 23.29916 6.974170  122.4490       117.5625 154.0684       
174.1847 95.99464       159.3243 24.45220 10.19917 22.14611 9.514893 2.306093 
13.94834 
1 1 1 -29 0   7  o 22.41087 6.485914  68.28399       115.1225 -149.6185      
169.7707 253.7759       156.6369 16.45149 7.962707 28.37026 10.24029 -11.91877 
12.97183 
1 1 1 -29 0   8  o 27.58116 7.014863  240.0145       105.8169 285.0698       
145.4294 189.3241       154.2559 30.06107 9.922998 25.10126 9.918030 4.959810 
14.02973 
1 1 1 -29 0   9  f 22.59246 6.832717  125.8673       114.8093 139.0518       
170.9294 115.0297       154.9708 23.11739 9.891113 22.06752 9.429210 1.049873 
13.66543 
1 1 1 -29 1   1  o 23.99840 7.036411  121.6403       119.3893 45.75666       
190.5020 170.7224       153.2099 22.29078 9.951457 25.70603 9.950519 -3.415249 
14.07282 
1 1 1 -29 1   2  o 29.19610 7.822494  215.6501       127.6158 400.2728       
222.5416 125.1922       155.7729 34.64872 12.23567 23.74348 9.749561 10.90524 
15.64499 
1 1 1 -29 1   3  o 26.87235 7.493097  201.4094       124.6088 190.6327       
178.3659 211.6835       174.1565 26.45957 10.59449 27.28513 10.59919 
-0.8255558     14.98619 
1 1 1 -29 1   4  o 36.04298 7.489491  399.3022       122.8636 340.9852       
181.0572 449.0767       167.2711 32.79222 11.07197 39.29374 10.08868 -6.501522 
14.97898 
1 1 1 -29 1   5  o 19.19257 6.256482  -17.00443      116.6011 18.52470       
170.6319 -48.12968      159.7072 20.24677 9.200831 18.13838 8.480504 2.108395 
12.51296 
1 1 1 -29 1   6  o 21.85254 6.392141  101.3325       102.6784 -26.50416      
174.2434 169.3399       127.0886 19.09363 8.900257 24.61146 9.177326 -5.517834 
12.78428 
1 1 1 -29 1   7  f 22.62692 6.633979  89.90525       118.4473 -107.3393      
177.7749 247.3693       158.8396 17.47426 8.388713 27.77959 10.27950 -10.30534 
13.26796 
1 1 1 -29 1   8  o 20.28069 6.457222  44.43811       115.4702 91.56979       
173.3775 6.867374       154.7965 21.73532 9.615596 18.82607 8.621090 2.909248 
12.91444 
1 1 1 -29 2   1  o 20.58504 6.485659  31.49217       114.2634 -57.35453      
194.9878 77.95868       141.0122 19.81336 9.287409 21.35672 9.055338 -1.543358 
12.97132 
1 1 1 -29 2   2  o 23.49297 7.015431  99.72032       125.1643 208.3760       
174.3244 -15.89627      179.8216 26.97289 10.57827 20.01306 9.217662 6.959822 
14.03086 
1 1 1 -29 2   3  o 27.03695 6.787524  126.9106       124.5450 430.7932       
180.5163 -149.1512      172.0547 37.23082 10.87414 16.84307 8.126194 20.38774 
13.57505 
1 1 1 -29 2   4  o 23.90480 7.037307  129.8173       118.9032 220.0449       
176.0594 54.15219       161.2269 26.94765 10.61219 20.86195 9.245338 6.085705 
14.07461 
1 1 1 -29 2   5  o 32.16927 7.630566  338.3294       121.2557 343.9384       
180.7474 333.7393       163.5086 32.02906 11.05420 32.30949 10.52173 
-0.2804298     15.26113 
1 1 1 -29 2   6  o 20.93905 6.575233  67.09800       115.3363 57.18637       
172.0719 75.18378       155.4171 20.90331 9.391537 20.97479 9.205095 
-0.7147789E-01 13.15047 
1 1 1 -29 2   7  o 23.40794 6.864596  149.0670       110.2080 130.2973       
176.2686 161.1132       141.2122 22.98842 9.944307 23.82746 9.465804 
-0.8390408     13.72919 
1 1 1 -29 2   8  o 19.71779 5.939574  -5.018844      104.1819 196.9493       
141.3649 -245.1164      154.1325 25.40640 9.630625 14.02918 6.954511 11.37722 
11.87915 
1 1 1 -29 3   1  o 56.84214 7.290691  970.2531       160.5655 743.5029       
251.5348 1126.192       208.5938 46.73304 12.55170 66.95125 7.421023 -20.21821 
14.58138 
1 1 1 -29 3   2  o 29.88478 7.696352  287.3765       128.8654 211.2571       
183.9042 360.8069       180.6265 26.56258 10.70694 33.20699 11.05879 -6.644403 
15.39270 
1 1 1 -29 3   3  o 27.03349 7.506442  226.3492       125.7404 185.5351       
181.9489 263.6609       173.9672 25.43823 10.50527 28.62874 10.72502 -3.190517 
15.01288 
1 1 1 -29 3   4  o 17.60302 5.903197  -90.35265      119.9228 -185.0410      
176.5949 -9.316114      163.3692 16.22054 7.915233 18.98551 8.760139 -2.764973 
11.80639 
1 1 1 -29 3   5  o 21.66206 6.722408  89.52638       117.6251 79.94631       
174.8446 97.44672       158.9790 21.58075 9.587768 21.74336 9.425381 
-0.1626072     13.44482 
1 1 1 -29 3   6  f 19.51762 6.294088  15.26021       116.7765 -62.97357      
175.2242 77.77093       156.6297 18.09227 8.575124 20.94296 9.215716 -2.850691 
12.58818 
1 1 1 -29 3   7  o 32.30693 7.135583  302.4078       122.8146 588.6246       
191.9675 104.0839       159.7966 42.82726 10.69680 21.78660 9.446935 21.04066 
14.27117 
1 1 1 -29 4   1  o 40.93311 7.637369  575.0496       139.3096 432.4198       
237.9326 649.4497       171.8446 33.26704 12.52687 48.59917 8.740426 -15.33212 
15.27474 
1 1 1 -29 4   2  o 19.52167 6.391078  -5.071653      124.3243 -15.99087      
177.3069 5.489094       174.3722 19.32826 8.997447 19.71509 9.079067 
-0.3868294     12.78216 
1 1 1 -29 4   3  o 20.53917 6.572819  44.35522       121.5594 56.82533       
175.0785 32.74846       168.9093 20.94956 9.439379 20.12878 9.149094 0.8207760 
13.14564 
1 1 1 -29 4   4  o 21.29130 6.715787  73.44174       121.7514 95.06265       
180.8352 55.51489       164.6637 22.05654 9.780969 20.52606 9.205424 1.530479 
13.43157 
1 1 1 -29 4   5  o 17.74273 5.927027  -94.94812      117.3312 60.54642       
175.2411 -221.2923      157.9633 20.89496 9.427680 14.59049 7.185920 6.304466 
11.85405 
1 1 1 -29 4   6  o 24.45327 7.491321  173.0206       140.3374 168.0915       
180.8121 180.4889       222.5645 24.15597 10.24867 24.75058 10.92906 
-0.5946121     14.98264 
1 1 1 -29 5   1  o 19.24870 6.382102  -37.68248      133.3637 -149.7585      
198.2293 54.99368       180.2584 17.56563 8.528701 20.93176 9.496638 -3.366133 
12.76420 
1 1 1 -29 5   2  o 23.69197 7.055640  143.8378       119.7271 226.5637       
181.9259 80.63476       159.0166 26.30563 10.63024 21.07830 9.280420 5.227324 
14.11128 
1 1 1 -29 5   3  o 24.60163 10.95306  172.1970       229.3701 0.000000       
0.000000 172.1970       229.3701 ?        ?        24.60163 10.95306 ? ? 
1 1 1 -29 5   4  o 21.80650 10.08564  56.93642       218.2180 0.000000       
0.000000 56.93642       218.2180 ?        ?        21.80650 10.08564 ? ? 
1 1 1 -28 -22 1  f 19.19791 6.376716  -42.75777      134.0042 -133.6755      
192.2962 43.07626       186.8427 17.56201 8.495752 20.83380 9.511687 -3.271791 
12.75343 
1 1 1 -28 -21 1  o 39.38762 7.810861  506.3091       137.6187 413.1713       
196.2407 596.4365       193.0433 34.62004 11.52687 44.15519 10.54369 -9.535145 
15.62172 
1 1 1 -28 -21 2  o 19.73211 6.584786  -37.22001      140.0475 34.38651       
214.5635 -90.36977      184.8546 21.42595 9.944495 18.03827 8.633924 3.387682 
13.16957 
1 1 1 -28 -21 3  o 17.41496 5.966882  -169.6678      137.0204 -17.23288      
197.3154 -311.6357      190.4206 19.73086 9.265595 15.09906 7.520867 4.631800 
11.93376 
1 1 1 -28 -20 1  o 31.89641 8.538252  348.1060       156.9520 340.3619       
233.5682 354.4819       211.9329 31.36592 12.25609 32.42690 11.89098 -1.060976 
17.07650 
1 1 1 -28 -20 2  o 28.35968 7.786631  209.1373       135.9450 457.8293       
225.7269 67.59555       170.2921 35.26471 12.33568 21.45465 9.505652 13.81006 
15.57326 
1 1 1 -28 -20 3  o 25.59248 7.474175  191.6331       134.4765 99.36558       
187.5749 289.2072       192.8935 22.40519 9.945286 28.77976 11.15995 -6.374569 
14.94835 
1 1 1 -28 -20 4  o 34.94764 7.850005  415.6036       128.8711 490.6460       
196.2699 358.7321       170.8628 37.41134 11.43697 32.48394 10.75575 4.927402 
15.70001 
1 1 1 -28 -19 1  o 26.81371 7.749110  188.5506       138.0560 184.3833       
205.7641 191.9625       186.1826 26.77552 11.12141 26.85189 10.79394 
-0.7636833E-01 15.49822 
1 1 1 -28 -19 2  o 25.90100 7.771404  171.0549       147.0627 169.5014       
210.8078 172.5278       205.2593 25.88501 11.02693 25.91699 10.95380 
-0.3197861E-01 15.54281 
1 1 1 -28 -19 3  o 20.37220 6.644985  -36.34221      142.4504 -261.3541      
225.1641 113.8208       183.9407 17.53713 8.637561 23.20728 10.10029 -5.670143 
13.28997 
1 1 1 -28 -19 4  o 20.78529 6.348496  18.09643       121.2101 -277.5869      
195.8931 201.5313       154.2932 15.83895 7.848865 25.73164 9.980428 -9.892695 
12.69699 
1 1 1 -28 -19 5  o 25.79390 7.283241  210.2297       117.5767 218.9081       
190.8115 204.9176       149.2857 25.90641 10.73190 25.68140 9.849300 0.2250118 
14.56648 
1 1 1 -28 -18 1  o 19.67935 6.608977  -140.8347      152.1625 -295.2557      
232.8592 -25.75967      201.0160 18.16603 8.919660 21.19267 9.754690 -3.026638 
13.21795 
1 1 1 -28 -18 2  o 24.84367 7.211633  96.90516       142.9440 -197.4267      
232.1207 276.7141       181.4265 19.22845 9.307482 30.45889 11.01823 -11.23044 
14.42327 
1 1 1 -28 -18 3  o 21.30769 6.973693  -12.03884      148.9376 -75.42371      
225.5358 36.97910       198.3354 20.61688 9.751344 21.99850 9.972005 -1.381624 
13.94739 
1 1 1 -28 -18 4  o 24.21768 7.147132  141.4295       132.2095 -38.30766      
229.0487 231.2332       161.9034 20.92668 9.871396 27.50868 10.33835 -6.582003 
14.29426 
1 1 1 -28 -18 5  o 21.04219 6.311231  31.90296       119.0448 -297.5508      
200.3562 211.6770       148.0025 15.80959 7.852421 26.27479 9.882613 -10.46520 
12.62246 
1 1 1 -28 -18 6  o 23.74058 6.874391  159.8280       109.0326 158.4662       
148.6049 161.4159       160.4684 23.64786 9.586380 23.83331 9.855473 
-0.1854439     13.74878 
1 1 1 -28 -17 1  o 21.05405 6.814672  -26.48635      134.6484 21.95813       
201.8681 -65.31423      180.7246 22.54457 10.14818 19.56352 9.097997 2.981054 
13.62934 
1 1 1 -28 -17 2  o 26.62459 6.968969  145.2055       127.4996 -120.6425      
197.5298 335.0696       166.9311 19.12605 9.083754 34.12313 10.57126 -14.99708 
13.93794 
1 1 1 -28 -17 3  o 29.17111 7.616898  211.6602       133.6272 410.6408       
201.4125 55.21268       178.5934 36.16953 11.67110 22.17268 9.790507 13.99685 
15.23380 
1 1 1 -28 -17 4  o 26.59186 7.457695  198.1043       124.8819 161.3803       
197.2255 222.6824       161.3474 25.47455 10.75059 27.70918 10.33894 -2.234629 
14.91539 
1 1 1 -28 -17 5  o 20.94642 6.548820  -0.6217838     128.8282 -245.8392      
196.2884 184.9389       170.7505 16.44538 8.100374 25.44746 10.29233 -9.002077 
13.09764 
1 1 1 -28 -17 6  o 23.78299 7.196886  142.8980       132.8947 51.47054       
198.1375 217.6615       179.1731 21.41113 9.783460 26.15486 10.55768 -4.743729 
14.39377 
1 1 1 -28 -17 7  o 31.99575 6.794461  312.6001       106.4804 461.9200       
156.1555 182.8333       145.5728 39.29308 9.546588 24.69842 9.670649 14.59466 
13.58892 
1 1 1 -28 -16 1  o 23.27308 7.008835  82.98703       118.0965 43.76112       
202.9374 103.0729       145.2183 23.32286 10.34960 23.22329 9.454148 
0.9956741E-01  14.01767 
1 1 1 -28 -16 2  o 22.27699 7.005557  24.11390       114.6300 130.3147       
228.5900 -11.56401      132.4930 26.21078 11.33114 18.34321 8.241155 7.867565 
14.01111 
1 1 1 -28 -16 3  o 40.33778 8.060197  453.4231       139.4828 645.6058       
233.6803 347.0535       173.8497 46.18475 11.95974 34.49081 10.80887 11.69395 
16.12039 
1 1 1 -28 -16 4  o 23.09260 6.995322  82.60567       126.7100 -32.79161      
197.2995 163.6122       165.3058 20.64808 9.565228 25.53712 10.21002 -4.889032 
13.99064 
1 1 1 -28 -16 5  o 17.82096 6.005854  -108.8686      121.0807 -79.71550      
194.2729 -127.3856      154.8303 19.25003 9.083635 16.39189 7.859305 2.858141 
12.01171 
1 1 1 -28 -16 6  o 18.90034 5.984608  -31.91723      113.7513 -348.9167      
199.6912 120.3542       138.4009 15.36330 7.659364 22.43739 9.197623 -7.074092 
11.96922 
1 1 1 -28 -16 7  o 18.66847 6.089427  -55.51055      122.7729 -298.9218      
195.6021 102.7239       157.7080 15.53224 7.720703 21.80470 9.418877 -6.272464 
12.17885 
1 1 1 -28 -15 1  o 28.95892 7.957633  177.5468       131.3000 351.9517       
236.3043 99.65329       157.9220 34.26640 12.55700 23.65144 9.778416 10.61497 
15.91527 
1 1 1 -28 -15 2  o 31.29008 7.847168  266.6716       122.4813 296.3472       
226.4424 254.3990       145.6219 31.87110 12.15728 30.70907 9.925364 1.162029 
15.69434 
1 1 1 -28 -15 3  o 19.21098 6.260754  -37.50264      112.4974 -86.04892      
197.7566 -14.27622      136.7868 19.91958 9.340055 18.50238 8.339755 1.417202 
12.52151 
1 1 1 -28 -15 4  o 27.27142 7.116083  200.0845       106.6706 161.5973       
188.6354 218.1773       129.3356 26.08664 10.72312 28.45619 9.357846 -2.369555 
14.23217 
1 1 1 -28 -15 5  o 18.53828 6.190402  -82.28950      116.3644 -30.12929      
204.5509 -107.2462      141.4898 20.93131 9.712907 16.14525 7.677484 4.786055 
12.38080 
1 1 1 -28 -15 6  o 24.91408 6.801545  151.5144       119.0406 -78.17009      
202.9845 271.9190       146.9666 19.54961 9.248640 30.27855 9.975305 -10.72894 
13.60309 
1 1 1 -28 -15 7  o 17.38344 5.796111  -138.5808      123.6118 -474.8044      
204.9370 53.69444       154.9773 14.35916 7.242071 20.40771 9.051629 -6.048551 
11.59222 
1 1 1 -28 -15 8  o 18.56073 6.160749  -51.68718      123.5434 -143.3206      
171.1397 48.02882       178.5279 16.44193 7.964749 20.67953 9.401175 -4.237606 
12.32150 
1 1 1 -28 -14 1  o 24.14886 7.394480  42.35521       122.4084 201.0770       
239.7055 -13.63692      142.3716 29.19075 12.05660 19.10698 8.564559 10.08377 
14.78896 
1 1 1 -28 -14 2  o 34.80958 7.249168  357.5215       119.4415 205.7115       
222.2566 419.1685       141.6316 28.84098 11.71114 40.77818 8.546989 -11.93719 
14.49834 
1 1 1 -28 -14 3  o 34.54322 6.973911  353.1867       114.0453 190.6025       
204.9640 426.0950       137.2545 27.84139 11.26989 41.24506 8.217738 -13.40367 
13.94782 
1 1 1 -28 -14 4  o 21.77525 6.758962  -32.82275      116.4551 203.0432       
202.9592 -148.5914      142.1908 28.00186 11.26414 15.54863 7.473518 12.45323 
13.51792 
1 1 1 -28 -14 5  o 21.49899 6.585978  55.89584       110.9717 -19.77856      
185.2920 98.21992       138.5721 20.58164 9.427994 22.41635 9.198551 -1.834711 
13.17196 
1 1 1 -28 -14 6  o 18.77872 6.145954  -61.87572      112.0773 51.17256       
179.2530 -134.4363      143.6101 21.87838 9.715455 15.67905 7.530002 6.199322 
12.29191 
1 1 1 -28 -14 7  o 21.03736 6.708440  8.319876       117.8805 164.4422       
206.5156 -67.13166      143.5669 25.20760 10.83159 16.86713 7.917663 8.340467 
13.41688 
1 1 1 -28 -14 8  o 22.35758 7.039790  95.22081       132.7659 87.87510       
201.0875 100.8975       176.7724 22.42568 10.10972 22.28948 9.799394 0.1361980 
14.07958 
1 1 1 -28 -14 9  o 27.63975 7.599645  267.1100       134.0990 323.7459       
167.9737 167.5795       222.6760 30.85887 10.65584 24.42063 10.83842 6.438234 
15.19929 
1 1 1 -28 -13 1  o 23.84916 7.199533  77.71512       123.5976 77.33526       
207.1387 77.92513       154.0211 24.81945 10.75875 22.87886 9.569865 1.940592 
14.39907 
1 1 1 -28 -13 2  o 20.08169 6.518468  -74.29417      114.1578 77.44884       
206.4485 -141.1270      137.0100 24.63760 10.71124 15.52578 7.431754 9.111817 
13.03694 
1 1 1 -28 -13 3  o 40.44698 7.297907  484.5909       123.9580 332.7488       
248.5494 534.8620       143.0131 33.26777 12.72325 47.62618 7.152388 -14.35841 
14.59581 
1 1 1 -28 -13 4  f 27.85100 7.088000  207.0040       113.5028 76.14970       
196.9782 272.0480       138.8762 23.91296 10.42964 31.78904 9.601120 -7.876080 
14.17600 
1 1 1 -28 -13 5  o 33.90094 7.743425  288.8536       118.4777 498.8729       
219.2750 202.2602       140.7998 40.23795 12.04653 27.56392 9.732609 12.67403 
15.48685 
1 1 1 -28 -13 6  o 19.69738 6.338222  -10.04074      113.3998 -11.23263      
179.8967 -9.254866      146.0768 20.47238 9.341719 18.92239 8.568811 1.549984 
12.67644 
1 1 1 -28 -13 7  o 25.86999 7.166262  154.6308       115.8881 297.4830       
182.5792 58.24767       149.9713 30.81992 11.06262 20.92005 9.112613 9.899868 
14.33252 
1 1 1 -28 -13 8  o 24.97476 7.366098  171.6843       126.4927 160.9025       
210.7029 177.7598       158.1658 24.87986 10.81888 25.06966 9.999474 
-0.1898022     14.73220 
1 1 1 -28 -13 9  o 26.15797 7.590806  212.6606       130.8142 166.9229       
167.6073 283.9440       209.2425 24.19992 10.04363 28.11602 11.38450 -3.916096 
15.18161 
1 1 1 -28 -12 1  o 27.46148 6.915998  175.0897       120.1882 -91.29929      
213.6236 298.4645       145.3799 21.09467 9.841459 33.82828 9.719558 -12.73361 
13.83200 
1 1 1 -28 -12 2  o 29.02474 7.827365  190.3596       124.9842 304.0343       
222.4653 137.9318       151.0815 32.85653 12.16390 25.19294 9.854448 7.663586 
15.65473 
1 1 1 -28 -12 3  o 26.76175 7.515595  163.1305       121.6208 162.1108       
212.5220 163.6271       148.3067 27.34235 11.32633 26.18116 9.881852 1.161196 
15.03119 
1 1 1 -28 -12 4  o 39.81289 6.988925  451.8806       118.8337 325.4849       
208.8525 512.3896       144.5052 33.26894 11.84276 46.35684 7.424903 -13.08790 
13.97785 
1 1 1 -28 -12 5  o 21.32924 6.619646  34.51313       115.3215 -33.63223      
184.8879 77.90743       147.5389 20.48619 9.398243 22.17229 9.324798 -1.686096 
13.23929 
1 1 1 -28 -12 6  o 31.36131 7.241675  286.9446       118.3402 163.5543       
187.0222 369.3371       152.8257 26.12727 10.69795 36.59536 9.763262 -10.46809 
14.48335 
1 1 1 -28 -12 7  o 22.91282 7.045852  70.98453       132.6942 -54.17374      
206.8725 158.4752       172.9633 20.49621 9.600091 25.32943 10.31573 -4.833214 
14.09170 
1 1 1 -28 -12 8  o 25.77340 7.325448  172.7194       123.1785 267.4918       
183.9971 95.74811       165.8190 29.09324 10.99924 22.45356 9.678086 6.639677 
14.65090 
1 1 1 -28 -12 9  o 35.60806 8.310831  444.7390       145.4977 360.2553       
195.7289 549.0834       217.5219 31.90930 11.45403 39.30681 12.04512 -7.397509 
16.62166 
1 1 1 -28 -12 10 o 21.84379 6.962951  65.55899       129.7227 -1.420018      
162.7640 182.1884       214.7796 18.90113 8.729845 24.78645 10.84991 -5.885319 
13.92590 
1 1 1 -28 -11 1  o 24.31138 7.128049  96.76030       120.7150 -6.306464      
211.8907 146.2862       146.8821 22.95786 10.36215 25.66490 9.790920 -2.707037 
14.25610 
1 1 1 -28 -11 2  o 27.31944 7.579507  165.2854       120.3579 199.9258       
213.5294 149.1548       145.7104 28.98226 11.59715 25.65661 9.762266 3.325653 
15.15901 
1 1 1 -28 -11 3  o 28.47066 7.325128  114.9503       117.5723 423.0868       
212.4731 -21.04041      141.1520 38.12944 11.94942 18.81187 8.475926 19.31757 
14.65026 
1 1 1 -28 -11 4  o 51.14870 6.291490  623.8530       124.5726 768.3494       
221.6066 557.0989       150.6236 53.85110 10.17301 48.44630 7.405484 5.404797 
12.58298 
1 1 1 -28 -11 5  o 36.28332 7.653137  359.8398       124.1616 469.3775       
197.2679 287.9779       159.7804 40.36406 11.23453 32.20259 10.39555 8.161469 
15.30627 
1 1 1 -28 -11 6  o 30.15903 7.432201  259.6928       129.7205 79.70858       
214.6255 363.2842       162.8268 24.35137 10.74521 35.96669 10.27088 -11.61532 
14.86440 
1 1 1 -28 -11 7  o 20.54110 6.538969  -11.64846      120.1745 94.58951       
180.6142 -96.04407      160.9800 23.47629 10.10956 17.60591 8.296343 5.870375 
13.07794 
1 1 1 -28 -11 8  o 17.84999 6.108673  -171.1561      138.5791 -169.9607      
214.0494 -172.0187      181.8298 18.61776 8.999021 17.08221 8.263242 1.535543 
12.21735 
1 1 1 -28 -11 9  o 33.37663 7.894215  381.7682       138.9089 477.2134       
185.8664 261.0073       209.0677 38.68348 10.95019 28.06977 11.37400 10.61370 
15.78843 
1 1 1 -28 -11 10 o 22.38474 7.093699  95.54298       138.1587 119.3233       
193.0763 70.58981       197.7803 22.97349 10.15733 21.79600 9.905098 1.177488 
14.18740 
1 1 1 -28 -10 1  o 24.19388 7.305648  64.21629       124.2040 139.7153       
216.0034 26.92319       151.8114 27.25709 11.36267 21.13067 9.185848 6.126419 
14.61130 
1 1 1 -28 -10 2  o 36.90583 7.865858  375.4359       128.5998 362.6226       
228.9976 381.3383       155.4219 35.45624 12.42263 38.35542 9.652209 -2.899174 
15.73172 
1 1 1 -28 -10 3  o 22.80684 7.057876  50.37303       120.3616 -22.17637      
238.5473 75.15069       139.4080 23.47155 10.72907 22.14213 9.172872 1.329420 
14.11575 
1 1 1 -28 -10 4  o 24.36494 6.989196  113.8977       115.8730 -14.01490      
205.8460 173.2297       140.1943 22.18083 10.08667 26.54905 9.677532 -4.368223 
13.97839 
1 1 1 -28 -10 5  o 28.63150 7.540570  212.2163       126.7457 120.2784       
188.4850 288.1038       171.2437 25.16369 10.55920 32.09930 10.76773 -6.935616 
15.08114 
1 1 1 -28 -10 6  o 23.42370 7.115105  71.87658       127.8813 149.2859       
184.8063 0.7561765      177.1402 25.86758 10.62014 20.97982 9.471614 4.887762 
14.23021 
1 1 1 -28 -10 7  o 30.62070 7.668896  264.1126       123.0511 337.2761       
188.5645 209.8480       162.3943 33.44954 11.29918 27.79185 10.37190 5.657696 
15.33779 
1 1 1 -28 -10 8  o 21.27628 6.717120  34.62347       121.3779 49.96688       
187.0491 23.46322       159.5261 22.16644 9.879353 20.38612 9.103691 1.780315 
13.43424 
1 1 1 -28 -10 9  o 15.81461 5.535960  -309.5443      137.7784 -448.1121      
200.2383 -184.9537      189.8709 14.51396 7.303308 17.11526 8.321606 -2.601294 
11.07192 
1 1 1 -28 -10 10 o 24.38454 7.206653  165.3878       123.3969 173.9231       
170.9654 156.1062       178.2836 24.67841 10.18688 24.09068 10.19661 0.5877304 
14.41331 
1 1 1 -28 -10 11 o 25.50477 7.486564  206.4907       133.3362 244.7090       
180.1850 160.2310       198.2368 26.96407 10.69862 24.04546 10.47541 2.918610 
14.97313 
1 1 1 -28 -9  1  o 44.09895 7.424944  519.2595       131.4580 480.6808       
224.2292 539.4637       162.2701 41.24643 12.14270 46.95146 8.548335 -5.705029 
14.84989 
1 1 1 -28 -9  2  o 28.23851 7.484896  106.1636       119.2835 398.2029       
222.1890 -12.08809      141.3858 37.23438 12.26530 19.24264 8.582370 17.99174 
14.96979 
1 1 1 -28 -9  3  o 23.96635 6.604419  81.92548       117.2838 -234.8137      
209.8073 225.8906       141.4485 18.33750 8.871463 29.59520 9.786243 -11.25770 
13.20884 
1 1 1 -28 -9  4  o 37.81999 7.655851  357.0607       128.8669 593.0984       
216.4167 227.3927       160.4044 46.19590 11.24802 29.44408 10.38895 16.75182 
15.31170 
1 1 1 -28 -9  5  o 21.96074 6.808550  33.03699       122.5761 -36.01399      
187.5208 84.55282       161.9701 20.75563 9.498014 23.16584 9.757723 -2.410208 
13.61710 
1 1 1 -28 -9  6  o 21.49883 6.778967  19.51842       123.5975 23.56826       
188.8512 16.48402       163.4697 22.14246 9.896123 20.85520 9.267381 1.287260 
13.55793 
1 1 1 -28 -9  7  o 35.82099 7.462362  296.1949       133.1770 680.5771       
225.3270 89.83166       165.1002 48.55771 11.26202 23.08428 9.793589 25.47343 
14.92472 
1 1 1 -28 -9  8  o 24.84850 7.199472  127.9412       120.0775 226.2664       
186.1400 57.85987       157.1479 28.23108 10.95962 21.46591 9.338972 6.765177 
14.39894 
1 1 1 -28 -9  9  o 21.62662 6.810629  46.43132       126.5823 -8.968368      
180.7256 99.78146       177.3510 20.19496 9.276033 23.05827 9.974662 -2.863306 
13.62126 
1 1 1 -28 -9  10 o 33.02009 7.932754  362.6428       132.2167 288.1038       
177.8613 454.7079       197.6685 29.53700 10.88725 36.50318 11.54046 -6.966179 
15.86551 
1 1 1 -28 -9  11 o 22.55128 6.809635  83.79911       125.5343 -90.09996      
179.6231 249.8309       175.5129 17.77015 8.506860 27.33240 10.63569 -9.562248 
13.61927 
1 1 1 -28 -8  1  o 25.06539 7.441713  97.50491       126.6506 100.5626       
221.9551 96.02864       154.2227 26.30919 11.26444 23.82159 9.727729 2.487598 
14.88343 
1 1 1 -28 -8  2  o 27.65078 7.619626  160.3470       118.5901 238.6208       
218.2537 127.5565       141.2627 30.65829 11.87452 24.64327 9.551466 6.015022 
15.23925 
1 1 1 -28 -8  3  o 23.99959 7.247540  73.54319       122.2856 114.8145       
214.2602 53.60498       148.9226 26.20458 11.13855 21.79459 9.275775 4.409996 
14.49508 
1 1 1 -28 -8  4  o 23.33522 7.197206  54.49890       128.5491 68.23433       
213.1040 46.64191       161.1753 24.66518 10.80208 22.00525 9.513889 2.659924 
14.39441 
1 1 1 -28 -8  5  o 31.76265 7.940959  281.5760       131.2981 270.0566       
210.3677 288.9268       168.0475 31.15896 11.76670 32.36635 10.66677 -1.207392 
15.88192 
1 1 1 -28 -8  6  o 41.99906 7.568634  477.2952       133.7614 622.5247       
208.4548 375.6388       174.4021 47.47964 10.71177 36.51849 10.69555 10.96115 
15.13727 
1 1 1 -28 -8  7  f 31.01627 6.761473  168.4080       130.6145 550.8797       
194.3115 -146.8590      176.4161 44.39115 10.56446 17.64140 8.441701 26.74975 
13.52295 
1 1 1 -28 -8  8  o 24.56898 7.397330  115.2075       128.6496 161.2147       
218.0410 90.63756       159.3411 26.39182 11.22781 22.74615 9.634225 3.645674 
14.79466 
1 1 1 -28 -8  9  o 20.01813 6.491333  -29.77417      126.5721 -131.9971      
180.3856 69.36729       177.6460 17.74195 8.500937 22.29431 9.812426 -4.552361 
12.98267 
1 1 1 -28 -8  10 o 19.98271 6.415812  -40.63250      124.2628 -209.1406      
170.9602 148.1059       180.9317 15.71566 7.694831 24.24976 10.26840 -8.534106 
12.83162 
1 1 1 -28 -8  11 o 24.33848 7.165838  161.0781       126.8648 244.6240       
172.3979 62.39825       187.3629 27.29624 10.55748 21.38072 9.692085 5.915525 
14.33168 
1 1 1 -28 -7  1  o 20.93334 9.189982  13.96003       155.0135 0.000000       
0.000000 13.96003       155.0135 ?        ?        20.93334 9.189982 ? ? 
1 1 1 -28 -7  2  o 34.56973 12.27323  335.9769       224.1785 335.9769       
224.1785 0.000000       0.000000 34.56973 12.27323 ?        ?        ? ? 
1 1 1 -28 -7  3  o 31.90860 7.975168  274.3559       131.9163 260.9561       
216.5072 282.2674       166.3624 31.33790 11.90690 32.47930 10.61315 -1.141397 
15.95034 
1 1 1 -28 -7  4  o 24.67759 7.258363  103.4146       127.7535 7.240482       
207.0354 162.5515       162.3473 22.85797 10.28391 26.49722 10.24580 -3.639244 
14.51673 
1 1 1 -28 -7  5  o 27.97931 7.636219  195.2731       127.4423 169.1722       
195.6320 214.5156       167.9744 27.21237 11.01238 28.74624 10.58182 -1.533863 
15.27244 
1 1 1 -28 -7  6  o 23.06876 6.964516  23.10898       125.9765 205.3468       
191.6680 -115.4921      167.1528 28.28331 11.09205 17.85421 8.425218 10.42910 
13.92903 
1 1 1 -28 -7  7  o 30.57427 7.360046  265.8853       120.8809 149.2765       
193.0712 341.0657       155.0257 26.00660 10.78567 35.14194 10.01751 -9.135345 
14.72009 
1 1 1 -28 -7  8  o 30.79460 7.839251  280.1013       129.6418 263.0077       
201.7088 292.1323       169.2223 29.91705 11.45600 31.67214 10.70399 -1.755096 
15.67850 
1 1 1 -28 -7  9  f 21.56728 6.887767  2.566965       139.3494 -144.2102      
208.8170 120.4089       187.1055 18.92847 9.087996 24.20608 10.35247 -5.277609 
13.77553 
1 1 1 -28 -7  10 o 40.96456 6.935298  484.2288       132.2339 247.8071       
178.5755 771.2456       196.7577 28.20012 10.78473 53.72900 8.722562 -25.52888 
13.87060 
1 1 1 -28 -7  11 o 28.49645 6.995959  217.0347       129.0669 468.4351       
180.3329 -46.99136      184.8057 38.06938 10.78904 18.92352 8.909002 19.14586 
13.99192 
1 1 1 -28 -7  12 o 22.74757 7.071617  81.14502       126.7770 264.7915       
212.5073 -20.33137      157.9665 27.25048 11.30940 18.24467 8.492851 9.005804 
14.14323 
1 1 1 -28 -6  1  o 28.47887 7.032664  172.3752       122.9462 -41.30074      
184.9931 341.4195       164.5425 20.95079 9.536602 36.00695 10.33860 -15.05616 
14.06533 
1 1 1 -28 -6  2  o 37.74142 8.023332  388.0791       134.2881 409.5642       
222.2854 375.7312       168.5154 37.82385 12.26655 37.65898 10.34539 0.1648712 
16.04666 
1 1 1 -28 -6  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -28 -6  4  o 20.10095 6.537857  -94.62615      125.8955 63.11142       
198.9102 -200.0459      162.6112 24.05818 10.48694 16.14372 7.810143 7.914455 
13.07571 
1 1 1 -28 -6  5  o 22.29273 6.762771  14.80805       126.3034 -188.1972      
194.3808 163.1477       166.1607 18.13854 8.723167 26.44693 10.33667 -8.308388 
13.52554 
1 1 1 -28 -6  6  o 22.04398 6.914738  28.01991       124.6716 49.46248       
200.4500 14.49232       159.2128 23.40225 10.34785 20.68571 9.174766 2.716543 
13.82948 
1 1 1 -28 -6  7  o 30.37043 7.713357  260.7226       125.9561 234.2108       
192.9168 280.4213       166.2916 29.20668 11.19788 31.53418 10.61089 -2.327499 
15.42671 
1 1 1 -28 -6  8  o 23.29376 6.947733  63.34178       128.8235 -118.9159      
194.8719 204.8158       171.6898 18.99518 9.021994 27.59235 10.56824 -8.597168 
13.89547 
1 1 1 -28 -6  9  o 21.26256 7.068504  -45.65593      155.4482 0.9326385      
184.7767 -158.4782      287.5445 20.85928 9.504605 21.66585 10.46506 
-0.8065681     14.13701 
1 1 1 -28 -6  10 o 28.80621 7.852138  261.3527       134.2254 268.7105       
184.7781 253.1324       195.3057 29.19048 11.02652 28.42194 11.18214 0.7685394 
15.70428 
1 1 1 -28 -6  11 o 25.55552 7.534327  193.3371       133.6619 215.6215       
200.2827 175.4421       179.4770 26.25935 10.94371 24.85169 10.35855 1.407667 
15.06865 
1 1 1 -28 -6  12 o 21.23570 6.779551  42.72272       139.8521 -203.2612      
244.0839 162.9454       170.6392 18.50186 9.099823 23.96954 10.05199 -5.467678 
13.55910 
1 1 1 -28 -5  1  o 24.21417 7.011735  76.27960       124.7800 -101.5940      
199.0917 191.3520       160.1338 20.28905 9.479260 28.13929 10.33447 -7.850241 
14.02347 
1 1 1 -28 -5  2  o 37.19619 8.102620  368.3724       133.2723 442.7415       
230.1019 330.8311       163.4854 39.08838 12.46083 35.30399 10.36038 3.784389 
16.20524 
1 1 1 -28 -5  3  o 25.43475 6.930996  77.98505       132.4424 -267.3220      
216.0458 285.8815       167.6358 18.23291 8.868688 32.63659 10.65370 -14.40367 
13.86199 
1 1 1 -28 -5  4  o 28.24793 10.67180  198.4390       173.0990 0.000000       
0.000000 198.4390       173.0990 ?        ?        28.24793 10.67180 ? ? 
1 1 1 -28 -5  5  o 22.31543 6.830912  30.46118       125.4887 -110.2860      
194.2045 131.3536       164.4253 19.52785 9.175774 25.10301 10.12179 -5.575151 
13.66182 
1 1 1 -28 -5  6  o 18.19347 6.101857  -120.4968      120.0240 -82.11669      
193.7219 -144.4084      152.9081 19.95835 9.334776 16.42859 7.860826 3.529764 
12.20371 
1 1 1 -28 -5  7  o 25.84924 7.394124  151.6480       122.0924 164.4338       
196.1252 143.5579       156.0084 26.63291 10.93849 25.06557 9.951976 1.567337 
14.78825 
1 1 1 -28 -5  8  o 27.35096 7.352208  198.0097       122.9897 93.86030       
196.4937 265.0962       157.7021 24.09213 10.46157 30.60978 10.33322 -6.517649 
14.70442 
1 1 1 -28 -5  9  o 26.45511 7.577865  174.6268       134.6782 90.21194       
191.6698 256.9500       189.2802 23.51893 10.27268 29.39130 11.14308 -5.872368 
15.15573 
1 1 1 -28 -5  10 o 45.15646 7.194017  590.4980       133.3207 554.4966       
188.7166 626.3678       188.3717 43.29551 10.47972 47.01742 9.858551 -3.721905 
14.38803 
1 1 1 -28 -5  11 o 21.10931 6.570990  22.63711       124.0153 190.5486       
172.8799 -155.3682      178.0004 25.44629 10.33002 16.77233 8.124187 8.673960 
13.14198 
1 1 1 -28 -5  12 o 19.83156 6.465089  11.09408       126.9506 -88.49026      
209.8856 68.54587       159.4186 18.94748 9.100542 20.71564 9.185294 -1.768164 
12.93018 
1 1 1 -28 -4  1  o 29.87626 7.753330  175.3877       130.1111 391.8054       
217.6314 55.00750       162.3128 37.17286 12.13885 22.57966 9.649078 14.59320 
15.50666 
1 1 1 -28 -4  2  o 26.13160 7.491320  134.4987       131.8842 20.12390       
224.1473 195.0605       163.1052 24.05277 10.76478 28.21043 10.42109 -4.157658 
14.98264 
1 1 1 -28 -4  3  o 40.15873 7.946769  429.9694       135.2095 529.1085       
225.1345 374.0372       169.1027 42.99997 12.01283 37.31749 10.40656 5.682480 
15.89354 
1 1 1 -28 -4  4  o 21.03472 6.565958  -0.3145815     117.0703 -90.78059      
166.9770 87.14948       164.1832 18.54096 8.669758 23.52847 9.863191 -4.987509 
13.13192 
1 1 1 -28 -4  5  o 24.11905 7.114883  93.92746       124.5136 -4.772233      
192.5990 164.8007       163.2064 21.80043 9.857336 26.43766 10.26251 -4.637232 
14.22977 
1 1 1 -28 -4  6  o 27.88860 11.10929  193.4474       194.9896 193.4474       
194.9896 0.000000       0.000000 27.88860 11.10929 ?        ?        ? ? 
1 1 1 -28 -4  7  o 22.33338 6.741782  44.41002       122.3600 -138.8497      
196.3523 160.7584       156.4526 18.86773 8.999086 25.79904 10.04106 -6.931313 
13.48356 
1 1 1 -28 -4  8  o 34.98833 7.347402  371.1797       128.1937 197.9232       
205.3561 481.8054       164.0934 27.60204 11.24061 42.37461 9.464983 -14.77257 
14.69480 
1 1 1 -28 -4  9  o 22.80334 7.011576  53.96828       128.7119 179.0211       
190.8622 -50.33910      174.3134 26.38493 10.80597 19.22174 8.937555 7.163187 
14.02315 
1 1 1 -28 -4  10 o 20.45933 6.624489  -3.921633      128.4685 -56.17607      
175.3848 56.57471       188.7100 18.84803 8.830118 22.07064 9.877472 -3.222609 
13.24898 
1 1 1 -28 -4  11 f 33.79940 7.950801  386.4264       131.9429 373.9958       
182.6123 400.0038       190.8511 33.38097 11.11941 34.21784 11.36748 
-0.8368683     15.90160 
1 1 1 -28 -4  12 o 20.05964 6.390379  0.9885629      127.8397 -271.3559      
215.3275 149.2393       158.8688 16.67622 8.255313 23.44305 9.756925 -6.766829 
12.78076 
1 1 1 -28 -3  1  o 32.18649 7.884868  267.2920       125.2675 320.1902       
214.4503 239.8939       154.3353 33.92005 12.00786 30.45294 10.22232 3.467110 
15.76974 
1 1 1 -28 -3  2  o 31.43627 8.006401  251.0309       127.2827 310.3742       
230.7066 225.0640       152.6104 33.29281 12.37480 29.57973 10.16239 3.713081 
16.01280 
1 1 1 -28 -3  3  o 42.17139 7.990201  464.7788       138.6988 617.6266       
239.3754 387.5286       170.1765 46.38496 12.14814 37.95782 10.38248 8.427139 
15.98040 
1 1 1 -28 -3  4  o 19.30190 6.255576  -65.01292      116.6151 26.10842       
166.6341 -152.4762      163.2551 21.57717 9.500082 17.02664 8.141091 4.550529 
12.51115 
1 1 1 -28 -3  5  o 24.63226 7.077188  121.5877       114.4534 138.8354       
166.8351 106.2536       157.3079 25.40716 10.21584 23.85736 9.797094 1.549801 
14.15438 
1 1 1 -28 -3  6  o 29.60528 7.643484  235.0340       121.2545 256.9565       
197.2782 221.7239       153.7182 30.37611 11.41281 28.83445 10.17050 1.541658 
15.28697 
1 1 1 -28 -3  7  o 25.99380 10.21632  163.5476       162.8687 0.000000       
0.000000 163.5476       162.8687 ?        ?        25.99380 10.21632 ? ? 
1 1 1 -28 -3  8  o 24.77614 7.321081  125.6019       124.8998 163.1275       
198.1747 100.8738       160.8721 26.29174 10.91705 23.26053 9.757612 3.031208 
14.64216 
1 1 1 -28 -3  9  o 21.41591 6.701580  -12.97255      127.2612 172.3578       
186.1768 -175.5112      174.3535 26.06626 10.67349 16.76557 8.106870 9.300690 
13.40316 
1 1 1 -28 -3  10 o 18.29231 6.128554  -102.6831      127.0030 -181.4054      
176.8299 -18.80916      182.5241 16.60100 8.058732 19.98362 9.235450 -3.382622 
12.25711 
1 1 1 -28 -3  11 o 23.51005 7.113503  119.0866       129.9435 17.36455       
184.8437 218.4743       182.7105 20.47927 9.395926 26.54084 10.68290 -6.061577 
14.22701 
1 1 1 -28 -3  12 o 18.97963 6.269272  -31.01574      127.6862 -179.8128      
213.9636 51.28495       159.1272 17.74783 8.670771 20.21142 9.057198 -2.463585 
12.53854 
1 1 1 -28 -2  1  o 31.44013 7.979217  267.0486       134.9137 206.5144       
227.9885 299.6691       167.3625 29.48850 11.90688 33.39175 10.62534 -3.903252 
15.95843 
1 1 1 -28 -2  2  o 40.05148 7.751324  460.3495       132.5984 372.8288       
245.2854 496.4868       157.6138 35.48649 12.81394 44.61646 8.725547 -9.129967 
15.50265 
1 1 1 -28 -2  3  o 23.74474 7.346993  43.80155       133.9853 129.7697       
224.5731 -3.712508      166.9552 26.74702 11.38731 20.74247 9.286684 6.004549 
14.69399 
1 1 1 -28 -2  4  o 29.03903 6.657278  178.8344       120.8787 -102.4325      
180.7315 406.4946       162.5991 18.99183 8.909341 39.08623 9.894496 -20.09440 
13.31456 
1 1 1 -28 -2  5  o 25.79509 7.040183  132.9606       114.0495 256.9974       
168.5969 28.31520       154.8583 30.63941 10.66637 20.95078 9.191585 9.688631 
14.08037 
1 1 1 -28 -2  6  o 38.03374 7.070645  401.9895       116.6571 319.4445       
173.4168 470.2177       157.6622 33.51894 10.83103 42.54855 9.092028 -9.029602 
14.14129 
1 1 1 -28 -2  7  f 22.32535 6.728633  73.94704       111.0468 54.05406       
165.7273 90.15593       149.5963 21.99237 9.579528 22.65833 9.451490 
-0.6659660     13.45727 
1 1 1 -28 -2  8  o 39.42836 7.743673  441.9986       130.3869 539.3344       
209.7989 380.7440       166.4317 42.37281 11.50044 36.48392 10.37293 5.888889 
15.48735 
1 1 1 -28 -2  9  o 34.40242 11.34306  369.7968       190.0320 369.7968       
190.0320 0.000000       0.000000 34.40242 11.34306 ?        ?        ? ? 
1 1 1 -28 -2  10 o 22.75690 6.944306  75.75154       127.0422 195.4103       
179.2100 -45.12962      180.1230 26.27287 10.57799 19.24094 8.999989 7.031925 
13.88861 
1 1 1 -28 -2  11 o 28.93688 7.659941  272.3984       131.4454 370.4023       
184.5200 171.4250       187.2947 33.04633 11.17734 24.82743 10.47692 8.218897 
15.31988 
1 1 1 -28 -2  12 o 24.65405 7.416036  157.4116       129.6171 284.9861       
216.4873 86.12460       161.8287 27.97525 11.49146 21.33286 9.377450 6.642391 
14.83207 
1 1 1 -28 -1  1  o 40.82626 7.917879  477.2418       139.9704 403.1230       
237.6476 516.6107       173.1994 36.79927 12.67773 44.85323 9.489278 -8.053959 
15.83576 
1 1 1 -28 -1  2  o 24.36890 6.860281  97.85727       117.5572 -70.51249      
184.4839 212.9632       152.5370 19.97151 9.250869 28.76628 10.13288 -8.794765 
13.72056 
1 1 1 -28 -1  3  o 25.90949 7.591709  133.0115       132.9466 130.0328       
215.7793 134.8341       168.7889 26.42467 11.20277 25.39431 10.24862 1.030365 
15.18342 
1 1 1 -28 -1  4  o 50.70788 5.953311  642.1221       121.3572 573.9459       
181.3043 697.4620       163.3468 46.99711 9.521048 54.41865 7.149637 -7.421543 
11.90662 
1 1 1 -28 -1  5  o 17.88334 5.938811  -96.90905      113.7084 -123.4846      
168.4954 -74.68481      154.0850 17.76942 8.415849 17.99725 8.381612 
-0.2278290     11.87762 
1 1 1 -28 -1  6  o 24.94121 6.878868  114.9690       106.8993 249.9991       
169.1676 25.20562       137.9276 30.01410 10.66098 19.86832 8.695910 10.14578 
13.75774 
1 1 1 -28 -1  7  o 47.23278 6.480571  604.9448       122.9857 424.1732       
183.3642 752.7668       165.8132 38.25541 10.89140 56.21016 7.026278 -17.95476 
12.96114 
1 1 1 -28 -1  8  o 21.45557 6.628644  52.13305       113.0421 38.94398       
168.9265 62.82860       152.1220 21.40680 9.478115 21.50433 9.269361 
-0.9752846E-01 13.25729 
1 1 1 -28 -1  9  o 24.05713 7.179571  97.96616       133.5376 -50.21179      
193.7796 231.9716       184.2797 19.96070 9.335986 28.15357 10.90983 -8.192869 
14.35914 
1 1 1 -28 -1  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -28 -1  11 o 20.82850 6.687848  35.11187       127.9664 -22.84814      
178.0619 97.02180       184.0293 19.23055 8.976922 22.42645 9.915852 -3.195904 
13.37570 
1 1 1 -28 -1  12 f 20.92471 6.780158  33.59289       128.3899 131.1862       
215.0304 -20.47443      160.0506 23.49128 10.52776 18.35815 8.546841 5.133125 
13.56032 
1 1 1 -28 0   1  o 37.62162 8.711611  359.5742       149.0005 628.0395       
277.9460 251.3103       176.5055 44.64571 13.60255 30.59752 10.88758 14.04819 
17.42322 
1 1 1 -28 0   2  o 23.23982 7.204632  40.47576       124.3135 125.7395       
226.2541 3.605059       148.7836 26.52989 11.36644 19.94975 8.856131 6.580141 
14.40926 
1 1 1 -28 0   3  o 33.28676 7.880826  312.2137       128.8184 318.3258       
198.8571 307.7943       169.0939 33.26804 11.58385 33.30549 10.68850 
-0.3745270E-01 15.76165 
1 1 1 -28 0   4  o 34.88794 7.436357  338.2389       117.5736 345.3725       
174.2891 332.2816       159.2721 34.98923 10.79409 34.78664 10.23158 0.2025871 
14.87271 
1 1 1 -28 0   5  f 35.05602 6.963824  338.2951       108.5976 390.6322       
148.3329 277.8365       159.4269 38.48656 9.275565 31.62548 10.38957 6.861073 
13.92765 
1 1 1 -28 0   6  o 32.28856 6.182515  255.5501       117.0803 -70.74307      
173.0992 530.7036       158.9566 19.00428 8.863400 45.57284 8.621723 -26.56856 
12.36503 
1 1 1 -28 0   7  o 23.04084 6.720478  104.7141       105.4050 68.38829       
167.2160 128.6645       135.7771 22.35342 9.677815 23.72827 9.327334 -1.374849 
13.44096 
1 1 1 -28 0   8  o 21.10608 6.378330  27.64327       111.6500 -146.0737      
170.0382 159.3070       148.0329 17.08637 8.202901 25.12580 9.769585 -8.039425 
12.75666 
1 1 1 -28 0   9  o 33.66216 6.992079  343.1864       110.7666 243.1564       
176.4184 408.2803       142.3143 28.51230 10.77306 38.81202 8.916155 -10.29972 
13.98416 
1 1 1 -28 0   10 o 23.07927 6.918737  112.5737       115.3233 177.3150       
177.5392 65.31846       151.6801 25.28076 10.39927 20.87779 9.128578 4.402964 
13.83747 
1 1 1 -28 0   11 o 17.22301 8.246138  -100.1645      168.9369 0.000000       
0.000000 -100.1645      168.9369 ?        ?        17.22301 8.246138 ? ? 
1 1 1 -28 0   12 o 29.49249 7.905855  287.2095       128.2821 422.4797       
223.5566 220.8023       156.6367 32.66898 12.17384 26.31600 10.08998 6.352980 
15.81171 
1 1 1 -28 1   1  o 53.59063 7.280991  791.7590       151.7965 635.8194       
247.7789 885.4482       192.0574 46.17331 12.48303 61.00795 7.498349 -14.83464 
14.56198 
1 1 1 -28 1   2  o 36.52445 7.954353  380.0022       129.5986 384.7631       
234.9267 377.9195       155.3806 35.42667 12.56536 37.62223 9.756984 -2.195564 
15.90871 
1 1 1 -28 1   3  o 32.02037 7.563906  284.3360       119.1627 315.1247       
176.3524 258.4673       161.6490 33.34096 10.92717 30.69977 10.46173 2.641190 
15.12781 
1 1 1 -28 1   4  o 30.13764 7.261484  249.3094       109.7020 233.1171       
172.8867 260.2231       141.9361 29.27290 10.73934 31.00238 9.776663 -1.729477 
14.52297 
1 1 1 -28 1   5  o 28.19225 7.334693  203.2574       117.2306 292.8214       
172.3918 126.2115       159.8913 31.99493 10.80377 24.38956 9.923182 7.605373 
14.66939 
1 1 1 -28 1   6  o 23.79545 6.838335  119.8041       105.2429 120.7566       
168.6121 119.1962       134.7045 24.26656 10.07263 23.32433 9.251667 0.9422283 
13.67667 
1 1 1 -28 1   7  o 20.48353 6.346007  11.43838       111.5981 -123.3321      
167.1359 119.8633       149.9122 17.40111 8.300300 23.56595 9.601681 -6.164839 
12.69201 
1 1 1 -28 1   8  o 26.19974 7.080038  179.7419       106.4150 222.2136       
171.4475 153.1259       135.7231 27.85231 10.59182 24.54717 9.397926 3.305140 
14.16008 
1 1 1 -28 1   9  o 22.74534 6.702052  62.56237       114.1095 242.3251       
173.4532 -74.60046      151.5133 28.26036 10.68089 17.23032 8.098681 11.03004 
13.40410 
1 1 1 -28 1   10 o 21.16065 6.576847  70.42962       112.0193 83.03114       
167.2217 60.17141       150.8749 21.76197 9.549438 20.55933 9.045877 1.202648 
13.15369 
1 1 1 -28 1   11 o 26.67990 7.123433  224.2596       115.3259 133.3375       
175.1783 293.8084       153.2112 23.14685 9.961847 30.21295 10.18503 -7.066101 
14.24687 
1 1 1 -28 1   12 o 27.37596 7.670820  254.3321       128.3841 268.3903       
220.7581 247.1476       157.8162 27.25062 11.43087 27.50130 10.23236 
-0.2506752     15.34164 
1 1 1 -28 2   1  o 35.91917 8.051230  387.2162       139.4238 308.7216       
234.4967 430.1380       173.4026 32.27002 12.35349 39.56833 10.32862 -7.298309 
16.10246 
1 1 1 -28 2   2  o 30.38167 7.790039  262.7412       130.6177 174.3883       
235.6481 301.9256       156.9315 27.73712 11.73055 33.02623 10.25344 -5.289104 
15.58008 
1 1 1 -28 2   3  o 19.61556 6.084403  8.165869       98.81492 -60.87723      
140.5020 75.74161       139.0009 17.45156 8.079616 21.77956 9.099430 -4.328007 
12.16881 
1 1 1 -28 2   4  o 22.72704 6.508081  24.50011       117.5560 -226.3424      
173.7495 236.2657       159.6433 16.15557 7.877706 29.29850 10.36158 -13.14293 
13.01616 
1 1 1 -28 2   5  o 40.53452 7.213074  479.4405       128.9450 318.4014       
193.3167 608.5140       173.0701 32.55642 11.41318 48.51263 8.823442 -15.95621 
14.42615 
1 1 1 -28 2   6  o 20.36941 6.446352  8.212940       113.3274 61.50520       
169.4590 -34.90594      152.4286 22.12943 9.662521 18.60939 8.535661 3.520044 
12.89270 
1 1 1 -28 2   7  o 29.49567 7.288467  253.6086       114.5124 186.7749       
172.3654 306.4140       153.2114 26.45895 10.47470 32.53239 10.13743 -6.073439 
14.57693 
1 1 1 -28 2   8  o 22.68729 6.754868  95.90761       114.6020 1.105472       
175.7400 166.0502       151.1654 20.27634 9.247119 25.09825 9.849049 -4.821907 
13.50974 
1 1 1 -28 2   9  o 38.08974 6.888018  447.5247       119.2228 274.2498       
177.6376 589.5544       160.8261 29.25468 10.86168 46.92479 8.473674 -17.67011 
13.77604 
1 1 1 -28 2   10 o 23.99674 6.899715  152.2335       114.0088 66.99042       
170.1165 221.7364       153.6096 21.19476 9.434625 26.79873 10.07036 -5.603970 
13.79943 
1 1 1 -28 2   11 o 29.19592 7.386994  284.0251       114.9966 271.9627       
172.0255 293.7704       154.6224 28.36614 10.65741 30.02569 10.23183 -1.659544 
14.77399 
1 1 1 -28 3   1  o 28.47645 7.721406  214.1167       141.1894 41.64133       
236.5204 309.6026       175.9846 24.15878 10.92366 32.79411 10.91577 -8.635326 
15.44281 
1 1 1 -28 3   2  o 20.27209 6.357696  18.96391       107.0171 -11.17618      
167.9830 39.55270       138.8380 20.19512 9.164508 20.34905 8.814362 
-0.1539345     12.71539 
1 1 1 -28 3   3  o 24.22454 6.880610  127.6706       106.5205 105.5914       
143.6369 154.6523       158.7849 23.01624 9.391588 25.43284 10.05829 -2.416595 
13.76122 
1 1 1 -28 3   4  o 42.35202 7.098171  494.3177       123.5691 508.9873       
187.5317 483.0610       164.2748 42.31382 10.57488 42.39022 9.471430 
-0.7640457E-01 14.19634 
1 1 1 -28 3   5  o 48.65941 6.674766  648.5472       131.1117 494.6571       
193.8507 778.3019       178.0015 40.92288 11.03137 56.39594 7.517909 -15.47306 
13.34953 
1 1 1 -28 3   6  o 22.59958 6.817718  89.44224       113.8423 99.38160       
168.9798 81.18175       154.0488 23.13971 9.865450 22.05944 9.412652 1.080275 
13.63544 
1 1 1 -28 3   7  o 22.74629 6.717586  70.03529       113.4312 220.1199       
170.0443 -50.29329      152.2574 27.54668 10.52712 17.94590 8.347669 9.600777 
13.43517 
1 1 1 -28 3   8  o 37.16587 6.984469  392.2128       119.7485 631.7155       
183.3598 214.0906       158.1277 47.38979 9.551051 26.94196 10.19356 20.44783 
13.96894 
1 1 1 -28 3   9  o 24.77534 7.063009  172.6361       115.3546 121.4866       
174.8281 212.0743       153.5143 23.06897 9.940364 26.48171 10.03661 -3.412743 
14.12602 
1 1 1 -28 3   10 o 19.35537 6.234378  12.81319       114.1673 -58.46649      
172.1848 68.73606       152.5130 18.10488 8.545734 20.60585 9.079665 -2.500967 
12.46876 
1 1 1 -28 3   11 o 16.45176 5.461257  -52.60217      96.17082 -32.83570      
135.5934 -72.61111      136.4226 16.90559 7.869110 15.99792 7.574855 0.9076662 
10.92251 
1 1 1 -28 4   1  o 27.40447 7.670702  197.9231       130.8142 194.0552       
197.5347 200.9444       174.5827 27.36490 11.06922 27.44404 10.62220 
-0.7914352E-01 15.34140 
1 1 1 -28 4   2  o 21.87918 6.662167  59.44860       110.0584 18.94733       
144.6332 115.1595       169.6304 19.78856 8.764799 23.96979 10.03574 -4.181231 
13.32433 
1 1 1 -28 4   3  o 16.74557 5.683802  -169.3797      118.6948 -296.1342      
176.3828 -64.47247      160.4637 15.20363 7.513051 18.28750 8.530913 -3.083869 
11.36760 
1 1 1 -28 4   4  o 27.52840 6.190224  102.2271       120.2480 -295.7143      
176.9499 443.6801       163.9103 15.19458 7.512568 39.86222 9.840569 -24.66763 
12.38045 
1 1 1 -28 4   5  f 20.96328 6.586054  35.67059       115.7801 68.26994       
170.2118 7.598719       157.9505 22.10035 9.666587 19.82621 8.947711 2.274139 
13.17211 
1 1 1 -28 4   6  o 23.16325 6.934373  111.3108       116.2174 100.3327       
176.4851 119.7162       154.4273 23.08430 9.967627 23.24220 9.643056 
-0.1578999     13.86875 
1 1 1 -28 4   7  o 31.05801 7.541974  304.0479       118.7118 308.9150       
177.2819 300.0915       159.8377 30.97678 10.92264 31.13923 10.40295 
-0.1624508     15.08395 
1 1 1 -28 4   8  o 28.04095 7.458810  249.5158       118.9500 257.9417       
179.5899 242.9303       158.7692 28.17983 10.80418 27.90207 10.28616 0.2777596 
14.91762 
1 1 1 -28 4   9  o 25.71040 6.473814  191.0233       95.69130 89.84407       
141.8712 275.4744       129.6138 21.06276 9.011591 30.35804 9.296898 -9.295286 
12.94763 
1 1 1 -28 4   10 o 23.05427 6.645403  109.9196       116.3339 -76.09094      
172.5502 264.9309       157.5174 17.69586 8.439178 28.41269 10.26771 -10.71683 
13.29081 
1 1 1 -28 5   1  o 23.08332 7.204867  37.25032       135.1620 202.3621       
218.3896 -65.25987      172.0785 27.40837 11.42546 18.75826 8.780620 8.650110 
14.40973 
1 1 1 -28 5   2  o 40.95507 7.402917  486.7541       127.7789 488.4196       
183.8805 485.1988       177.6918 40.83442 10.62541 41.07572 10.31084 
-0.2412949     14.80583 
1 1 1 -28 5   3  o 20.10229 6.448625  0.9391593      118.1606 35.94706       
173.6484 -29.24756      161.2485 21.22434 9.487518 18.98024 8.736477 2.244106 
12.89725 
1 1 1 -28 5   4  o 20.62432 6.542329  23.93223       118.0234 65.41833       
170.7389 -14.03076      163.3283 21.87271 9.623356 19.37595 8.865624 2.496759 
13.08466 
1 1 1 -28 5   5  o 20.39313 6.474802  27.49179       116.2696 -15.04792      
174.4769 61.47274       155.9403 19.69093 9.073221 21.09534 9.239528 -1.404411 
12.94960 
1 1 1 -28 5   6  o 26.95317 7.372540  206.7711       119.2628 303.8559       
183.5842 135.8816       156.8739 30.39478 11.07481 23.51157 9.734775 6.883211 
14.74508 
1 1 1 -28 5   7  o 22.54601 6.705747  101.8950       115.7915 -22.12397      
173.1697 202.1844       155.7240 19.11463 8.895628 25.97738 10.03673 -6.862751 
13.41149 
1 1 1 -28 5   8  o 36.84298 7.359570  437.6240       121.2277 372.2211       
178.4152 493.7154       165.2272 33.07294 10.99089 40.61302 9.790476 -7.540081 
14.71914 
1 1 1 -28 5   9  o 26.21937 6.348847  77.32199       116.6742 468.8625       
174.5377 -238.9873      156.8761 38.15137 10.54980 14.28737 7.066339 23.86399 
12.69769 
1 1 1 -28 6   1  o 27.07032 7.682651  211.4255       131.7611 242.6790       
202.6446 188.5350       173.4254 28.09247 11.27412 26.04817 10.43966 2.044300 
15.36530 
1 1 1 -28 6   2  o 24.14450 6.934238  99.47487       121.3969 286.2739       
178.5689 -61.04726      165.5335 30.07420 10.92597 18.21481 8.541532 11.85939 
13.86848 
1 1 1 -28 6   3  o 22.89532 6.862281  85.93862       120.5617 218.8147       
174.4753 -35.48134      166.7845 27.00970 10.58486 18.78094 8.736379 8.228756 
13.72456 
1 1 1 -28 6   4  o 26.32723 7.333119  205.5648       120.0362 175.1927       
174.7806 232.6797       165.1429 25.13991 10.32584 27.51455 10.41516 -2.374643 
14.66624 
1 1 1 -28 6   5  o 27.05966 7.072868  189.3660       117.8107 381.3057       
176.4220 34.88946       158.2711 34.10716 10.91482 20.01217 8.998249 14.09499 
14.14574 
1 1 1 -28 6   6  o 22.00150 6.768613  97.68706       116.1032 115.8309       
174.1454 83.16913       155.7756 22.72827 9.858703 21.27473 9.276987 1.453545 
13.53723 
1 1 1 -28 6   7  o 18.76199 6.110236  -2.629932      108.9294 20.27361       
175.2688 -17.04445      139.0444 19.96463 9.155424 17.55935 8.094327 2.405283 
12.22047 
1 1 1 -28 6   8  o 16.00029 5.505027  -163.8694      116.1246 -76.87804      
172.3280 -236.2274      157.1670 17.66649 8.427209 14.33408 7.085439 3.332413 
11.01005 
1 1 1 -28 7   1  o 34.99805 7.729821  407.9116       129.6053 331.7893       
189.1081 475.3363       177.9770 31.07646 11.24833 38.91963 10.60545 -7.843166 
15.45964 
1 1 1 -28 7   2  o 22.71892 6.848825  83.44686       121.2671 239.5022       
179.8748 -46.58138      164.1912 27.28609 10.73256 18.15175 8.511038 9.134336 
13.69765 
1 1 1 -28 7   3  o 21.44282 6.509975  42.28513       120.1423 -168.6309      
179.4795 213.5238       161.7190 16.59174 8.074492 26.29391 10.21380 -9.702171 
13.01995 
1 1 1 -28 7   4  o 24.87679 7.138790  179.0905       119.7410 111.2637       
176.6818 236.7075       162.8421 22.55762 9.857739 27.19596 10.32832 -4.638346 
14.27758 
1 1 1 -28 7   5  o 23.69876 6.981532  139.0112       117.4651 241.0392       
175.3699 55.98802       158.1958 27.04319 10.60911 20.35432 9.078214 6.688873 
13.96306 
1 1 1 -28 7   6  o 18.10119 6.023551  -46.28598      116.1783 0.7962437      
175.5236 -82.99580      154.9880 19.44120 9.012197 16.76118 7.994559 2.680019 
12.04710 
1 1 1 -28 7   7  o 21.77788 10.03615  60.42324       213.5656 0.000000       
0.000000 60.42324       213.5656 ?        ?        21.77788 10.03615 ? ? 
1 1 1 -28 8   1  o 16.73898 5.724528  -163.4865      125.3401 -309.1818      
179.5563 -25.01987      175.0452 14.62763 7.288437 18.85033 8.829472 -4.222703 
11.44906 
1 1 1 -28 8   2  o 22.95918 6.705131  132.8906       107.0241 70.01030       
149.1409 199.6485       153.6705 20.46685 8.999525 25.45151 9.942015 -4.984659 
13.41026 
1 1 1 -28 8   3  o 25.02135 10.94998  189.7581       218.6464 0.000000       
0.000000 189.7581       218.6464 ?        ?        25.02135 10.94998 ? ? 
1 1 1 -28 8   4  f 18.71169 8.764347  -24.81951      172.4386 0.000000       
0.000000 -24.81951      172.4386 ?        ?        18.71169 8.764347 ? ? 
1 1 1 -27 -24 1  o 24.95663 7.315311  188.7730       125.2602 182.5239       
193.6944 193.2650       164.2211 24.76878 10.56121 25.14448 10.12501 
-0.3756962     14.63062 
1 1 1 -27 -23 1  o 27.85271 7.429428  235.9769       126.4277 351.6031       
177.7782 117.6651       179.8310 32.59724 10.97125 23.10817 10.02084 9.489071 
14.85886 
1 1 1 -27 -23 2  o 23.15883 7.188308  93.24471       143.3962 252.9464       
200.8437 -72.81019      204.7998 27.21403 11.10510 19.10363 9.130379 8.110395 
14.37662 
1 1 1 -27 -23 3  o 21.51089 6.830106  46.31009       129.4935 200.3615       
199.8043 -65.26067      170.0385 25.24443 10.74409 17.77735 8.435985 7.467073 
13.66021 
1 1 1 -27 -22 1  o 23.48289 6.867391  76.63048       121.8725 -86.12425      
169.0376 252.8141       175.8730 18.00690 8.490020 28.95888 10.79647 -10.95198 
13.73478 
1 1 1 -27 -22 2  o 33.34704 8.391991  393.9426       149.9468 345.8794       
219.2425 436.1835       205.5343 31.14978 11.93905 35.54429 11.79666 -4.394512 
16.78398 
1 1 1 -27 -22 3  o 21.72928 6.903802  70.20556       132.2838 116.4024       
187.8122 24.72452       186.3514 22.94093 10.09319 20.51764 9.422174 2.423286 
13.80760 
1 1 1 -27 -22 4  o 19.70052 6.300233  3.301105       119.3379 -149.5187      
175.7188 134.1285       162.5840 16.54439 8.031917 22.85665 9.708762 -6.312262 
12.60047 
1 1 1 -27 -21 1  o 29.50251 8.019247  242.6653       136.7997 327.7715       
220.3564 189.2959       174.4983 32.18575 12.06798 26.81927 10.56395 5.366474 
16.03849 
1 1 1 -27 -21 2  o 24.64633 7.451969  118.4344       142.5849 9.899473       
208.4996 213.7850       195.4258 21.83204 10.00087 27.46062 11.05034 -5.628576 
14.90394 
1 1 1 -27 -21 3  o 36.44043 8.163344  435.7363       138.7225 485.0707       
212.2003 398.9170       183.3196 37.70923 11.96075 35.17162 11.11311 2.537605 
16.32669 
1 1 1 -27 -21 4  o 23.49863 7.011780  134.8142       121.8615 57.88544       
177.2337 203.7938       167.8271 21.13290 9.510997 25.86437 10.30540 -4.731472 
14.02356 
1 1 1 -27 -21 5  o 19.99381 6.387184  24.16024       117.6637 122.8528       
165.8046 -75.96667      167.0051 22.53616 9.695261 17.45145 8.317835 5.084705 
12.77437 
1 1 1 -27 -20 1  o 30.99809 8.234081  279.8097       145.7318 252.5043       
203.5545 308.5226       208.7349 29.86601 11.48833 32.13016 11.79909 -2.264154 
16.46816 
1 1 1 -27 -20 2  o 21.64865 6.937340  5.051950       138.5136 -77.54312      
212.2864 66.28464       182.7834 20.50299 9.625018 22.79432 9.993287 -2.291332 
13.87468 
1 1 1 -27 -20 3  o 18.64894 6.216011  -102.5932      129.0104 -11.68533      
181.8487 -194.7100      183.0538 20.40207 9.343331 16.89582 8.201057 3.506250 
12.43202 
1 1 1 -27 -20 4  o 17.00952 5.751535  -115.8450      113.2458 -81.49843      
180.0499 -138.3262      145.6669 18.46187 8.722941 15.55717 7.498729 2.904696 
11.50307 
1 1 1 -27 -20 5  o 23.00526 6.579739  131.7064       105.8674 17.57188       
174.9332 197.6663       132.9854 20.07175 9.180322 25.93876 9.428338 -5.867004 
13.15948 
1 1 1 -27 -20 6  o 22.52711 6.644578  123.5189       107.5774 56.41204       
155.2322 185.5289       149.2206 20.20683 9.003144 24.84739 9.774714 -4.640566 
13.28916 
1 1 1 -27 -19 1  o 25.65730 7.666362  126.2235       140.6291 120.0369       
220.2184 130.4836       182.7425 25.95206 11.16923 25.36253 10.50432 0.5895290 
15.33272 
1 1 1 -27 -19 2  o 18.91961 6.347346  -117.1494      132.5116 -131.5813      
214.7043 -108.2697      168.4140 19.86034 9.450461 17.97886 8.476084 1.881479 
12.69469 
1 1 1 -27 -19 3  o 53.30739 6.454662  733.5078       140.1253 792.9627       
215.0867 689.6653       184.7003 54.27037 9.798615 52.34441 8.404628 1.925964 
12.90932 
1 1 1 -27 -19 4  o 44.21684 7.544280  571.7806       135.8109 557.4512       
223.7649 580.1375       170.8849 41.76192 12.07779 46.67176 9.043875 -4.909843 
15.08856 
1 1 1 -27 -19 5  o 26.16558 7.090014  157.5289       108.7264 328.1393       
184.1043 66.15648       134.7314 31.85116 11.14058 20.48000 8.772722 11.37116 
14.18003 
1 1 1 -27 -19 6  o 22.63090 6.699071  115.2223       109.6717 46.52701       
155.5085 183.1992       154.6932 20.17406 8.999214 25.08774 9.925943 -4.913679 
13.39814 
1 1 1 -27 -19 7  o 31.63071 7.132106  327.6107       112.6131 233.6901       
165.0707 409.3781       154.0208 26.76786 10.33533 36.49356 9.831006 -9.725702 
14.26421 
1 1 1 -27 -18 1  o 33.49144 7.982702  316.5016       136.6452 238.1519       
198.6678 386.8454       188.2442 29.96457 11.39975 37.01832 11.17764 -7.053749 
15.96540 
1 1 1 -27 -18 2  o 26.20972 7.472083  149.9954       129.7655 78.01426       
190.5134 212.2940       177.2372 23.89381 10.33717 28.52563 10.79217 -4.631823 
14.94417 
1 1 1 -27 -18 3  o 28.25444 7.034986  126.4164       143.0762 -287.9532      
219.3341 433.3449       188.7691 17.76160 8.701069 38.74727 11.05692 -20.98567 
14.06997 
1 1 1 -27 -18 4  o 25.81709 7.162473  146.1151       129.9773 -72.48381      
214.4417 273.0623       163.4168 20.73788 9.724167 30.89631 10.51877 -10.15843 
14.32495 
1 1 1 -27 -18 5  o 20.47731 6.558159  -22.37789      126.5398 -149.7793      
180.2013 101.5572       177.7330 17.51254 8.416471 23.44208 10.05986 -5.929544 
13.11632 
1 1 1 -27 -18 6  o 21.03801 6.302742  34.15129       102.9578 190.5158       
156.2560 -85.82234      136.8707 25.96091 10.04900 16.11512 7.610248 9.845787 
12.60548 
1 1 1 -27 -18 7  o 31.66913 7.008787  305.6284       111.2059 446.3509       
161.9101 179.9593       153.0053 38.42809 9.957035 24.91017 9.866602 13.51793 
14.01757 
1 1 1 -27 -18 8  o 25.68917 6.939734  206.9591       107.5525 146.3196       
177.0611 242.4161       135.3931 23.43525 10.04833 27.94310 9.574478 -4.507856 
13.87947 
1 1 1 -27 -17 1  o 39.18218 8.291413  396.0106       148.6567 652.2368       
246.8105 250.1375       186.2256 47.64676 12.26745 30.71760 11.15795 16.92915 
16.58283 
1 1 1 -27 -17 2  o 31.63149 8.195897  247.6030       140.2805 410.7578       
233.0480 154.8971       175.6706 36.90115 12.56144 26.36183 10.53096 10.53932 
16.39179 
1 1 1 -27 -17 3  o 22.09149 6.968388  23.94794       129.6541 -44.36248      
221.0127 59.79185       160.0963 21.99376 10.16375 22.18921 9.535819 
-0.1954479     13.93678 
1 1 1 -27 -17 4  o 36.28645 7.762539  359.4815       131.9343 542.0019       
206.5169 233.6199       171.4931 43.35594 11.25063 29.21696 10.69819 14.13898 
15.52508 
1 1 1 -27 -17 5  f 24.99944 7.512542  126.7588       135.5458 102.0006       
225.0403 140.8544       169.8024 25.02930 11.02897 24.96957 10.20367 
0.5973244E-01  15.02508 
1 1 1 -27 -17 6  o 21.59525 6.919793  -6.070449      134.9382 131.7738       
209.9835 -103.0355      176.1158 25.05002 10.84516 18.14048 8.597472 6.909544 
13.83959 
1 1 1 -27 -17 7  o 18.69535 6.082428  -20.85982      110.9237 -110.5477      
182.7056 31.49637       139.5947 17.98760 8.603402 19.40311 8.600302 -1.415514 
12.16486 
1 1 1 -27 -17 8  o 22.72206 6.928412  117.0435       120.4521 152.3645       
173.7032 84.32774       167.1743 23.87334 10.08270 21.57078 9.505301 2.302555 
13.85682 
1 1 1 -27 -17 9  o 24.28147 6.929750  136.9686       120.2249 312.4348       
174.9410 -20.06814      165.4990 30.01437 10.82324 18.54857 8.656972 11.46580 
13.85950 
1 1 1 -27 -16 1  o 19.90017 6.588225  -103.5767      136.7488 -102.4619      
201.0034 -104.5374      186.5846 20.30086 9.500271 19.49948 9.130373 0.8013763 
13.17645 
1 1 1 -27 -16 2  o 39.55130 8.099521  440.1234       142.5582 412.4048       
204.8160 466.1708       198.5457 38.08378 11.69165 41.01883 11.21224 -2.935047 
16.19904 
1 1 1 -27 -16 3  f 22.97861 7.112884  25.05885       134.2522 135.9649       
194.7259 -75.41746      185.3438 26.10955 10.83029 19.84768 9.223738 6.261869 
14.22577 
1 1 1 -27 -16 4  o 24.47779 7.132609  95.16233       127.0219 -38.39971      
187.8308 207.7176       172.4281 20.66677 9.477593 28.28881 10.66169 -7.622040 
14.26522 
1 1 1 -27 -16 5  o 21.40739 6.981945  -63.05333      139.8735 94.90500       
231.4392 -153.9486      175.5643 25.31557 11.16603 17.49921 8.385098 7.816360 
13.96389 
1 1 1 -27 -16 6  o 27.65535 7.634171  202.8600       123.5151 215.8215       
217.2969 196.6733       150.1262 28.20425 11.53703 27.10644 10.00095 1.097813 
15.26834 
1 1 1 -27 -16 7  o 25.20045 7.157629  161.6247       115.7608 139.0625       
182.5599 176.7970       149.7062 24.66967 10.37375 25.73122 9.864682 -1.061554 
14.31526 
1 1 1 -27 -16 8  o 27.01569 7.244528  175.9206       123.2346 389.1354       
189.9303 20.89229       161.9538 34.12235 11.34003 19.90903 9.018679 14.21332 
14.48906 
1 1 1 -27 -16 9  o 20.19404 6.470553  20.56454       119.9685 120.5199       
177.7769 -63.01604      162.5642 22.79286 9.924930 17.59523 8.304697 5.197634 
12.94111 
1 1 1 -27 -15 1  o 31.33987 7.910243  255.5857       132.9525 212.4236       
200.8951 289.2218       177.3457 29.64551 11.41106 33.03423 10.95790 -3.388712 
15.82049 
1 1 1 -27 -15 2  o 24.05050 7.327548  66.72119       134.1815 55.91172       
197.3657 76.01160       182.9730 24.01734 10.45777 24.08365 10.26678 
-0.6631279E-01 14.65510 
1 1 1 -27 -15 3  o 50.75956 6.691546  652.4843       136.2948 647.5691       
215.0782 655.7824       176.1871 49.16784 10.71671 52.35128 8.016188 -3.183437 
13.38309 
1 1 1 -27 -15 4  o 25.93043 7.541188  138.6823       130.0251 98.38411       
222.6669 159.5338       160.1701 25.66515 11.14046 26.19571 10.16701 
-0.5305634     15.08238 
1 1 1 -27 -15 5  o 18.46732 6.136642  -94.43825      120.1116 -139.1931      
189.2436 -64.24752      155.4310 18.60163 8.861444 18.33300 8.491659 0.2686253 
12.27328 
1 1 1 -27 -15 6  o 20.05643 6.352879  5.817082       109.7610 -75.56056      
187.4070 48.30641       135.4170 19.60761 9.174869 20.50525 8.789657 
-0.8976364     12.70576 
1 1 1 -27 -15 7  o 24.96619 6.940434  30.66860       117.2915 366.1184       
200.6854 -143.3642      144.5498 34.25159 11.65668 15.68079 7.536604 18.57080 
13.88087 
1 1 1 -27 -15 8  o 31.97621 7.045089  317.7647       118.6800 146.0832       
193.7253 420.9071       150.1561 24.93784 10.59547 39.01458 9.288120 -14.07675 
14.09018 
1 1 1 -27 -15 9  f 24.76001 7.262450  164.2710       121.5036 205.5126       
193.0832 137.2323       156.3395 26.12552 10.80748 23.39450 9.704183 2.731016 
14.52490 
1 1 1 -27 -15 10 o 18.13927 6.120172  -83.37958      130.0264 -117.8970      
176.3565 -42.26702      192.4684 17.12697 8.254292 19.15157 9.038399 -2.024599 
12.24034 
1 1 1 -27 -14 1  o 23.77173 7.274858  49.38464       134.0272 0.3589085      
208.2146 84.07002       175.1348 23.22524 10.38528 24.31822 10.19020 -1.092978 
14.54972 
1 1 1 -27 -14 2  o 24.63124 7.521313  67.53309       142.2037 -11.34619      
233.9135 113.7761       179.1005 23.87509 10.82575 25.38739 10.44431 -1.512297 
15.04263 
1 1 1 -27 -14 3  f 18.75622 6.373793  -189.0653      140.1351 -166.0672      
226.4948 -203.3295      178.3757 20.36539 9.698235 17.14705 8.273162 3.218349 
12.74759 
1 1 1 -27 -14 4  o 25.62383 7.374453  132.3751       124.5180 104.3412       
193.0856 152.3343       162.9220 25.14607 10.62579 26.10158 10.22853 
-0.9555073     14.74891 
1 1 1 -27 -14 5  o 25.87336 7.212311  151.6355       116.7213 89.61666       
193.3228 187.2120       146.4207 24.46598 10.49527 27.28074 9.895406 -2.814766 
14.42462 
1 1 1 -27 -14 6  o 21.92814 6.596715  52.32884       113.9303 -121.1314      
200.4443 135.1125       138.4733 19.46718 9.200658 24.38910 9.455923 -4.921928 
13.19343 
1 1 1 -27 -14 7  o 23.61461 6.734981  98.95633       115.9168 -89.98362      
193.4895 204.7302       144.7720 19.54494 9.177752 27.68429 9.859450 -8.139353 
13.46996 
1 1 1 -27 -14 8  o 26.65152 7.224189  180.9046       124.4051 34.64136       
191.6355 287.4423       163.5536 22.01693 9.900422 31.28611 10.52318 -9.269186 
14.44838 
1 1 1 -27 -14 9  o 21.16765 6.691172  29.24833       127.1600 -93.17046      
194.5815 120.5004       167.9960 18.92332 9.000845 23.41197 9.903128 -4.488646 
13.38234 
1 1 1 -27 -14 10 o 23.39763 7.321715  121.5747       141.7849 117.2016       
191.1835 126.9195       211.3595 23.11214 10.17588 23.68313 10.53003 
-0.5709915     14.64343 
1 1 1 -27 -14 11 o 25.41466 7.526423  204.8118       134.9951 205.1775       
190.8399 204.4454       190.9841 25.42711 10.64520 25.40221 10.64273 
0.2490234E-01  15.05285 
1 1 1 -27 -13 1  o 30.82376 7.321225  212.1886       135.7542 -45.81730      
207.1661 406.3541       179.7173 22.16278 10.08927 39.48474 10.61169 -17.32196 
14.64245 
1 1 1 -27 -13 2  o 27.27343 7.882740  136.9561       138.2079 188.7036       
232.1235 108.5359       172.0236 29.47692 11.96864 25.06994 10.26168 4.406979 
15.76548 
1 1 1 -27 -13 3  o 25.26413 7.450253  106.0630       130.7482 68.55778       
208.7108 130.2894       167.7427 24.90527 10.79778 25.62298 10.26806 
-0.7177124     14.90051 
1 1 1 -27 -13 4  o 33.50096 7.722270  308.6580       124.7080 260.9415       
212.2295 333.8228       154.1233 31.36251 11.82599 35.63941 9.933773 -4.276897 
15.44454 
1 1 1 -27 -13 5  o 28.41298 7.500040  179.7304       114.1169 297.9579       
202.8709 125.0051       138.0240 32.61783 11.66583 24.20813 9.429257 8.409704 
15.00008 
1 1 1 -27 -13 6  o 17.29051 5.945271  -181.4764      117.5294 -158.9360      
222.2576 -190.2259      138.4740 19.95172 9.529940 14.62930 7.110925 5.322420 
11.89054 
1 1 1 -27 -13 7  o 26.84963 7.710279  162.5658       129.0099 221.4809       
226.5842 134.3051       156.9307 28.98016 11.80548 24.71910 9.920901 4.261055 
15.42056 
1 1 1 -27 -13 8  f 21.52824 6.741845  -0.1359363     129.9133 -170.2296      
193.4613 139.5612       175.3249 18.02013 8.675074 25.03634 10.32245 -7.016205 
13.48369 
1 1 1 -27 -13 9  o 23.25075 7.219843  72.57300       138.0786 -7.179437      
191.0805 159.7296       199.7535 20.83343 9.556202 25.66807 10.82513 -4.834637 
14.43969 
1 1 1 -27 -13 10 o 20.29590 6.547552  17.08807       123.4992 47.16734       
157.0475 -31.65583      199.9205 20.48862 9.096623 20.10318 9.419830 0.3854408 
13.09510 
1 1 1 -27 -13 11 f 33.20252 7.855230  367.6576       134.1269 539.1326       
203.7573 236.5385       178.1745 39.54120 11.55425 26.86384 10.64509 12.67736 
15.71046 
1 1 1 -27 -12 1  o 42.71796 7.260333  402.1124       122.8665 695.6906       
226.2868 279.3772       146.3127 52.14050 10.70504 33.29541 9.810803 18.84509 
14.52067 
1 1 1 -27 -12 2  o 24.62077 7.381530  82.40699       127.0909 2.289542       
239.6015 113.7731       149.9189 24.64907 11.07795 24.59246 9.758434 
0.5661201E-01  14.76306 
1 1 1 -27 -12 3  o 29.07818 6.676513  213.5573       115.2334 -87.95181      
213.1388 338.0902       136.9791 21.36930 9.915594 36.78706 8.943395 -15.41777 
13.35303 
1 1 1 -27 -12 4  o 47.83638 6.561574  547.8322       119.4923 634.0376       
218.4269 511.0148       142.7465 48.76114 10.94013 46.91163 7.247797 1.849503 
13.12315 
1 1 1 -27 -12 5  o 25.12040 7.458057  51.16185       128.3718 257.3431       
227.7576 -44.83486      155.4091 31.17043 12.11844 19.07036 8.696768 12.10007 
14.91611 
1 1 1 -27 -12 6  o 32.95946 6.873752  306.8272       119.7349 74.77734       
197.7671 441.1045       150.4404 24.23650 10.50940 41.68242 8.862639 -17.44592 
13.74750 
1 1 1 -27 -12 7  o 24.48943 7.075832  106.7235       117.3071 195.9996       
175.6170 34.79726       157.6313 27.74520 10.67122 21.23366 9.294877 6.511538 
14.15166 
1 1 1 -27 -12 8  o 38.72602 7.624599  425.2615       125.8069 446.9509       
208.5856 412.8599       157.7252 38.36412 11.80303 39.08792 9.655386 
-0.7238007     15.24920 
1 1 1 -27 -12 9  o 21.44560 6.949737  -23.01056      141.1754 -98.14037      
185.6792 79.92821       217.3435 18.83341 8.885108 24.05779 10.68879 -5.224384 
13.89947 
1 1 1 -27 -12 10 o 21.72770 6.871771  51.39828       126.6526 69.89980       
158.0019 18.14077       211.8378 21.53965 9.367574 21.91575 10.05652 
-0.3761044     13.74354 
1 1 1 -27 -12 11 o 43.15458 7.631317  572.9530       132.5565 630.2849       
230.6563 544.6802       161.9764 42.27111 12.27446 44.03804 9.071146 -1.766937 
15.26263 
1 1 1 -27 -12 12 o 21.34128 6.724049  79.35605       121.8638 53.38837       
193.1451 96.53053       157.0757 21.17935 9.670002 21.50321 9.345715 
-0.3238564     13.44810 
1 1 1 -27 -11 1  f 27.53096 7.635142  140.7829       123.3726 226.0953       
211.9617 97.07185       151.7214 30.94286 11.77410 24.11906 9.723798 6.823801 
15.27028 
1 1 1 -27 -11 2  o 25.28553 6.953753  104.4201       121.9506 -137.6055      
211.8589 224.3507       149.1356 20.48085 9.614753 30.09020 10.04864 -9.609350 
13.90751 
1 1 1 -27 -11 3  o 56.55652 6.704763  775.3015       138.7511 815.8306       
260.3912 759.2310       163.9685 55.34731 11.58034 57.76574 6.761003 -2.418427 
13.40953 
1 1 1 -27 -11 4  o 19.91949 6.454812  -80.02500      111.2858 59.35189       
201.5243 -141.1751      133.4844 24.41714 10.59855 15.42185 7.370832 8.995286 
12.90962 
1 1 1 -27 -11 5  o 21.11359 6.595417  8.509664       116.1135 -59.65482      
183.6079 53.93921       149.8931 20.32108 9.340569 21.90610 9.314071 -1.585020 
13.19083 
1 1 1 -27 -11 6  o 44.31484 7.156631  526.2684       131.2106 426.7266       
190.4600 616.1866       181.0193 39.19148 11.08169 49.43820 9.059004 -10.24672 
14.31326 
1 1 1 -27 -11 7  o 42.81432 7.701180  513.8546       137.5093 485.8896       
219.9249 531.8051       176.1991 40.52623 12.05051 45.10241 9.592592 -4.576183 
15.40236 
1 1 1 -27 -11 8  o 21.37985 6.600000  31.66245       115.6025 -63.57058      
178.7616 100.1167       151.5587 19.53885 9.071842 23.22084 9.588622 -3.681995 
13.20000 
1 1 1 -27 -11 9  o 20.34133 6.484608  -22.87126      119.2167 -116.2209      
161.2135 89.78270       177.0999 17.29225 8.209744 23.39041 10.03995 -6.098164 
12.96922 
1 1 1 -27 -11 10 o 27.62777 7.744019  216.4762       133.3937 218.2816       
188.3452 214.6591       188.9506 27.69605 10.95422 27.55949 10.94918 0.1365547 
15.48804 
1 1 1 -27 -11 11 o 23.78011 7.004178  132.3135       120.9284 40.45403       
182.3789 204.3864       161.5469 21.18385 9.584662 26.37637 10.21608 -5.192518 
14.00836 
1 1 1 -27 -11 12 o 18.62107 6.204977  -59.36664      122.9178 42.59092       
193.9486 -127.8092      158.9059 21.08141 9.652240 16.16074 7.800077 4.920662 
12.40995 
1 1 1 -27 -10 1  o 28.92687 7.737247  183.0352       123.2872 204.4781       
215.9121 172.6614       150.1771 30.26243 11.79217 27.59130 10.02021 2.671131 
15.47449 
1 1 1 -27 -10 2  o 27.58902 7.524984  163.6199       120.5670 136.2394       
209.1074 177.2554       147.5654 27.51718 11.29702 27.66085 9.943783 
-0.1436672     15.04997 
1 1 1 -27 -10 3  o 25.59969 7.175608  128.8909       113.6687 53.28848       
205.9034 162.0310       136.3241 24.65154 10.70688 26.54783 9.556154 -1.896288 
14.35122 
1 1 1 -27 -10 4  o 28.09668 7.032291  186.8325       119.4267 -37.53521      
210.8663 292.7895       144.9079 22.37695 10.18468 33.81640 9.699727 -11.43945 
14.06458 
1 1 1 -27 -10 5  o 26.56423 6.789156  120.6980       121.7723 -151.4606      
190.0161 310.3668       158.6270 18.79287 8.917839 34.33558 10.23927 -15.54271 
13.57831 
1 1 1 -27 -10 6  o 46.18906 6.944152  501.2579       134.6943 882.7813       
223.0916 282.4026       168.9667 59.98152 8.859044 32.39660 10.69590 27.58492 
13.88830 
1 1 1 -27 -10 7  o 39.80386 7.491921  434.2094       126.6471 427.1523       
196.6599 439.2101       165.5445 38.78870 11.35664 40.81900 9.774569 -2.030300 
14.98384 
1 1 1 -27 -10 8  o 24.43309 7.322054  100.7387       125.8768 126.2530       
210.5355 86.54385       157.0361 25.88606 11.02336 22.98011 9.640303 2.905949 
14.64411 
1 1 1 -27 -10 9  o 27.84745 7.506716  204.3444       122.6650 240.0685       
172.4891 167.7919       174.4772 29.39761 10.73264 26.29728 10.49827 3.100332 
15.01343 
1 1 1 -27 -10 10 o 22.39185 6.842147  73.79671       117.5574 54.26187       
160.9283 96.14831       172.1400 21.52582 9.407413 23.25788 9.937832 -1.732058 
13.68429 
1 1 1 -27 -10 11 o 20.77335 6.580513  -5.595692      128.0892 138.8055       
172.8280 -181.5760      190.7923 24.23520 10.13726 17.31150 8.393362 6.923695 
13.16103 
1 1 1 -27 -10 12 o 20.52506 6.620992  31.57378       124.9174 10.93283       
202.2345 44.30737       158.8422 20.81490 9.658451 20.23522 9.058944 0.5796757 
13.24198 
1 1 1 -27 -10 13 o 26.86673 7.337262  240.6087       133.3880 50.16653       
229.0037 338.3976       164.0989 21.91078 10.20956 31.82269 10.54071 -9.911901 
14.67452 
1 1 1 -27 -9  1  o 21.24994 6.691512  -16.22690      121.0753 -141.8323      
211.4784 45.01863       147.6724 20.54313 9.637146 21.95675 9.286050 -1.413610 
13.38302 
1 1 1 -27 -9  2  o 27.40075 7.587519  130.1152       119.8637 247.9862       
214.3520 76.48901       144.5814 31.84302 11.90975 22.95848 9.404236 8.884542 
15.17504 
1 1 1 -27 -9  3  o 62.35345 6.003217  885.3272       139.5160 994.2871       
271.5102 846.2349       162.6290 63.30787 10.21526 61.39903 6.308956 1.908844 
12.00643 
1 1 1 -27 -9  4  o 21.15046 6.727911  -18.10908      123.0514 -64.85983      
204.0530 8.607559       154.2551 21.48226 9.862794 20.81866 9.153383 0.6635933 
13.45582 
1 1 1 -27 -9  5  o 25.45997 7.230941  80.78802       121.9403 252.8216       
194.8760 -29.91500      156.3261 31.24828 11.40792 19.67167 8.888498 11.57662 
14.46188 
1 1 1 -27 -9  6  o 33.64318 8.080096  306.8696       133.0547 326.8362       
222.4664 295.7496       166.0218 34.05016 12.21244 33.23620 10.58339 0.8139648 
16.16019 
1 1 1 -27 -9  7  o 42.59601 6.699734  438.3218       127.2948 788.2181       
199.9989 200.0545       165.0404 56.97533 8.361071 28.21669 10.47083 28.75864 
13.39947 
1 1 1 -27 -9  8  o 29.27197 7.496786  224.3275       123.5656 134.6287       
181.0198 302.5895       169.0863 25.55678 10.50472 32.98717 10.69850 -7.430391 
14.99357 
1 1 1 -27 -9  9  o 32.47176 6.614731  253.9208       122.7776 -25.62721      
174.3041 529.2096       172.9711 20.20020 9.211550 44.74331 9.495578 -24.54312 
13.22946 
1 1 1 -27 -9  10 o 19.29874 6.271148  -50.90526      119.5553 37.70923       
163.5421 -152.6203      175.2144 21.23625 9.373995 17.36124 8.332911 3.875008 
12.54230 
1 1 1 -27 -9  11 o 69.18270 5.200155  1172.310       150.0823 1013.663       
205.8440 1352.361       219.2904 63.72651 7.693770 74.63890 6.998025 -10.91240 
10.40031 
1 1 1 -27 -9  12 o 23.14816 7.051684  112.8758       119.5807 159.3277       
201.6752 87.68970       148.5016 24.81030 10.68336 21.48602 9.207106 3.324276 
14.10337 
1 1 1 -27 -9  13 f 19.09674 6.359094  -25.38497      126.8331 -148.9084      
242.3764 21.19473       148.8381 19.18382 9.345335 19.00966 8.626530 0.1741638 
12.71819 
1 1 1 -27 -8  1  o 23.29017 10.47167  -23.44686      214.3218 -23.44686      
214.3218 0.000000       0.000000 23.29017 10.47167 ?        ?        ? ? 
1 1 1 -27 -8  2  o 40.48941 7.589905  381.4354       123.3013 562.7820       
226.4097 304.9741       147.0148 46.08737 11.68099 34.89145 9.694384 11.19592 
15.17981 
1 1 1 -27 -8  3  o 24.88630 7.436893  56.92033       128.5360 172.4631       
219.3324 -3.517509      158.6301 28.97068 11.68655 20.80192 9.200766 8.168764 
14.87379 
1 1 1 -27 -8  4  o 21.67654 6.886875  -18.14518      124.6843 20.31864       
210.9484 -38.79809      154.5756 23.91229 10.58899 19.44079 8.808487 4.471493 
13.77375 
1 1 1 -27 -8  5  o 26.49337 7.411524  140.0443       120.4722 191.9505       
190.7097 105.5769       155.4060 28.70281 11.10351 24.28393 9.820122 4.418880 
14.82305 
1 1 1 -27 -8  6  o 31.57252 7.709081  260.8373       122.9505 284.0328       
191.7823 244.6516       160.2039 32.45818 11.36883 30.68686 10.41486 1.771320 
15.41816 
1 1 1 -27 -8  7  o 23.40163 6.960929  77.14496       114.0649 119.0585       
180.7612 49.41237       147.0359 25.29977 10.46088 21.50348 9.186307 3.796297 
13.92186 
1 1 1 -27 -8  8  o 28.31956 7.402605  206.7994       116.2034 177.5067       
188.6730 224.7020       147.4988 27.39977 10.92370 29.23935 9.993349 -1.839581 
14.80521 
1 1 1 -27 -8  9  o 34.80763 7.212174  315.8331       128.2836 554.0338       
188.9530 112.1609       174.7222 45.20374 10.19847 24.41152 10.20064 20.79222 
14.42435 
1 1 1 -27 -8  10 o 61.38471 5.542783  919.1202       141.8825 790.4015       
194.0769 1066.891       207.9445 56.37444 8.199977 66.39498 7.459903 -10.02055 
11.08557 
1 1 1 -27 -8  11 f 34.80772 7.642540  362.4622       127.4276 462.4186       
182.4567 267.2822       178.0441 39.65456 10.70801 29.96089 10.90744 9.693676 
15.28508 
1 1 1 -27 -8  12 o 41.57769 7.825508  558.3792       139.0769 498.0713       
239.9306 588.8964       170.6754 36.83046 12.73364 46.32492 9.099927 -9.494461 
15.65102 
1 1 1 -27 -8  13 o 27.98048 7.305452  169.8064       128.5406 505.5170       
208.7057 -35.36316      163.1579 37.69796 11.84876 18.26300 8.549006 19.43495 
14.61090 
1 1 1 -27 -7  1  o 46.10938 7.578824  475.6524       136.1676 768.1758       
251.3658 354.1590       161.9953 54.69302 11.32891 37.52574 10.07025 17.16727 
15.15765 
1 1 1 -27 -7  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -27 -7  3  o 23.73607 7.249445  48.98640       128.5279 22.17262       
216.7625 63.52524       159.6136 24.37186 10.77067 23.10028 9.706210 1.271576 
14.49889 
1 1 1 -27 -7  4  o 25.77919 7.550987  106.6991       129.6630 134.4418       
213.5798 90.50596       163.1740 27.40397 11.35332 24.15441 9.958496 3.249559 
15.10197 
1 1 1 -27 -7  5  o 22.94027 7.010862  43.09725       121.8127 71.89055       
190.2127 23.07878       158.6021 24.42576 10.44198 21.45478 9.358087 2.970984 
14.02172 
1 1 1 -27 -7  6  o 23.36198 7.168024  33.56650       123.3157 134.6200       
214.7348 -16.15795      150.6301 27.03209 11.30291 19.69187 8.818526 7.340225 
14.33605 
1 1 1 -27 -7  7  o 21.36714 6.710249  3.775359       116.9432 60.58009       
188.9852 -31.47218      148.8675 23.69386 10.27375 19.04041 8.634807 4.653450 
13.42050 
1 1 1 -27 -7  8  o 23.25008 7.022327  62.04604       119.2758 136.5643       
189.6901 13.31614       153.3950 25.99102 10.72956 20.50914 9.062490 5.481876 
14.04465 
1 1 1 -27 -7  9  o 30.43335 7.669998  253.4113       122.7401 275.7112       
189.2188 237.2120       161.2726 31.25919 11.25782 29.60751 10.42002 1.651674 
15.34000 
1 1 1 -27 -7  10 f 21.89765 6.798520  17.29820       125.7016 -98.19023      
176.1350 137.1738       179.4493 18.55757 8.725267 25.23773 10.42829 -6.680161 
13.59704 
1 1 1 -27 -7  11 o 32.79974 7.477179  311.3989       123.0344 428.6242       
176.8777 201.5112       171.2525 38.37236 10.62433 27.22713 10.52409 11.14523 
14.95436 
1 1 1 -27 -7  12 o 35.79021 7.328615  411.0107       125.6359 266.0223       
207.0924 495.4501       158.0411 29.01701 11.48337 42.56342 9.108605 -13.54641 
14.65723 
1 1 1 -27 -7  13 o 27.00947 7.466393  172.0156       123.4398 423.6164       
213.4791 45.63944       151.2976 33.99290 11.98599 20.02604 8.906418 13.96686 
14.93279 
1 1 1 -27 -7  14 o 22.46693 7.108694  86.29305       134.7983 202.7384       
215.9673 11.97673       172.5317 25.35815 10.98886 19.57571 9.021033 5.782442 
14.21739 
1 1 1 -27 -6  1  o 33.05626 7.559975  264.1154       119.3732 348.7468       
186.1868 205.0433       155.5517 36.73609 11.12120 29.37642 10.24362 7.359663 
15.11995 
1 1 1 -27 -6  2  o 19.44047 6.428626  -105.5851      124.3603 -126.5754      
211.0228 -94.41626      153.9305 20.77438 9.724216 18.10656 8.411216 2.667824 
12.85725 
1 1 1 -27 -6  3  o 26.64791 10.30330  148.2369       164.1682 0.000000       
0.000000 148.2369       164.1682 ?        ?        26.64791 10.30330 ? ? 
1 1 1 -27 -6  4  f 31.01013 11.67848  236.3628       206.8083 236.3628       
206.8083 0.000000       0.000000 31.01013 11.67848 ?        ?        ? ? 
1 1 1 -27 -6  5  o 22.40921 6.695319  -60.86736      121.2570 213.8614       
188.2697 -255.6107      158.5111 29.66343 11.14837 15.15498 7.417748 14.50845 
13.39064 
1 1 1 -27 -6  6  o 30.76003 7.641524  238.7486       119.5276 279.3875       
195.8531 214.6289       150.8851 32.33235 11.47241 29.18770 10.09730 3.144646 
15.28305 
1 1 1 -27 -6  7  o 17.51269 5.889578  -146.8510      114.5056 -82.96050      
181.8367 -188.8347      147.4020 19.64430 9.131854 15.38109 7.440280 4.263206 
11.77916 
1 1 1 -27 -6  8  o 19.32692 6.294969  -72.19856      115.5412 21.59219       
183.4937 -133.8163      148.7285 22.18819 9.844296 16.46564 7.848335 5.722542 
12.58994 
1 1 1 -27 -6  9  o 22.69526 6.842239  51.81400       121.8290 -77.29183      
183.8343 152.9198       162.6828 19.59242 9.136309 25.79810 10.18787 -6.205685 
13.68448 
1 1 1 -27 -6  10 o 23.17236 7.067697  66.48576       125.8210 6.608507       
169.7007 139.5852       187.5037 20.78474 9.332709 25.55998 10.61649 -4.775240 
14.13539 
1 1 1 -27 -6  11 o 40.03720 7.472975  463.7698       128.8297 526.0989       
179.7999 398.0088       184.6836 43.58278 10.02847 36.49163 11.08203 7.091156 
14.94595 
1 1 1 -27 -6  12 o 27.90103 7.120802  219.5660       132.4694 -89.91635      
236.3652 361.2881       159.9501 20.77548 9.900067 35.02659 10.23777 -14.25111 
14.24160 
1 1 1 -27 -6  13 o 23.62585 7.133931  84.52474       123.4541 289.4480       
208.1765 -26.63551      153.3243 29.03028 11.50556 18.22141 8.437649 10.80888 
14.26786 
1 1 1 -27 -6  14 o 20.92414 6.680673  57.10465       121.6801 93.90485       
195.3128 33.76097       155.5573 22.26030 10.00325 19.58797 8.857800 2.672329 
13.36135 
1 1 1 -27 -5  1  o 19.21795 6.218633  -64.76608      110.6197 -62.60183      
178.2286 -66.12219      141.0824 20.43863 9.318771 17.99726 8.236873 2.441368 
12.43727 
1 1 1 -27 -5  2  o 25.10755 7.057472  107.3269       118.8048 -76.76089      
217.7257 185.3782       141.7710 22.15194 10.17764 28.06317 9.779947 -5.911234 
14.11494 
1 1 1 -27 -5  3  o 30.60197 7.795670  231.9404       127.9241 172.0226       
220.0038 262.5466       157.2375 28.99546 11.70117 32.20848 10.30400 -3.213018 
15.59134 
1 1 1 -27 -5  4  o 19.75057 6.386115  -101.9688      128.1459 -342.4849      
208.6821 43.62861       162.3641 17.06769 8.400772 22.43346 9.620649 -5.365776 
12.77223 
1 1 1 -27 -5  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -27 -5  6  o 50.67582 6.317135  622.3758       126.4312 662.3912       
209.3472 599.4014       158.6266 50.65553 10.20195 50.69611 7.452851 
-0.4058075E-01 12.63427 
1 1 1 -27 -5  7  o 26.97229 7.442628  154.5246       119.9851 229.0928       
191.7161 106.5110       153.8380 29.91073 11.24825 24.03385 9.749246 5.876883 
14.88526 
1 1 1 -27 -5  8  o 90.81322 5.049697  1823.498       175.8892 2214.142       
333.5695 1673.054       207.0057 95.48957 8.320540 86.13686 5.724193 9.352707 
10.09939 
1 1 1 -27 -5  9  o 32.05179 7.025492  280.0880       125.5858 41.74580       
196.6916 444.1272       163.1771 23.10562 10.22922 40.99796 9.632925 -17.89234 
14.05098 
1 1 1 -27 -5  10 o 26.68679 7.139516  142.5433       123.5494 -25.16907      
172.7217 318.2692       176.8000 20.12504 9.175221 33.24855 10.94103 -13.12351 
14.27903 
1 1 1 -27 -5  11 f 25.04009 7.269322  141.0363       122.8663 165.7149       
171.5397 115.0378       176.0672 25.93310 10.38724 24.14709 10.17238 1.786011 
14.53864 
1 1 1 -27 -5  12 o 26.88740 7.586133  191.6014       124.2246 249.0041       
209.0978 160.2892       154.4328 28.72933 11.48441 25.04546 9.914941 3.683868 
15.17227 
1 1 1 -27 -5  13 o 18.01283 6.091248  -100.8793      124.7137 -68.53964      
205.1562 -119.8348      157.0669 19.56906 9.276772 16.45660 7.896499 3.112459 
12.18250 
1 1 1 -27 -5  14 o 18.32704 6.173182  -77.84593      132.0145 -152.9268      
200.3377 -20.22157      175.5097 17.63232 8.565110 19.02176 8.892220 -1.389439 
12.34636 
1 1 1 -27 -4  1  o 46.82147 6.942180  561.8712       131.5875 433.0386       
207.3830 648.6971       170.2493 40.46129 11.60317 53.18166 7.625081 -12.72037 
13.88436 
1 1 1 -27 -4  2  o 22.31754 6.971033  4.447685       128.3425 -99.54456      
218.4151 59.29089       158.6148 21.68049 10.05138 22.95460 9.661832 -1.274107 
13.94207 
1 1 1 -27 -4  3  o 38.99355 7.896673  362.2249       131.9003 566.3975       
229.6594 261.7282       161.1245 45.86822 11.84640 32.11889 10.44474 13.74932 
15.79335 
1 1 1 -27 -4  4  o 40.27052 7.069196  351.0275       128.0466 743.1246       
217.4078 142.7753       158.4430 54.43415 9.876999 26.10690 10.11627 28.32725 
14.13839 
1 1 1 -27 -4  5  o 22.05969 6.430732  -1.040170      117.5951 -305.4543      
192.4672 180.2917       148.5461 16.56392 8.125373 27.55546 9.969732 -10.99155 
12.86146 
1 1 1 -27 -4  6  o 28.34829 10.17181  197.7168       154.3469 0.000000       
0.000000 197.7168       154.3469 ?        ?        28.34829 10.17181 ? ? 
1 1 1 -27 -4  7  o 21.33829 6.677571  12.51842       118.1202 -38.73892      
190.0229 44.79641       150.7930 21.09907 9.620502 21.57752 9.263141 
-0.4784584     13.35514 
1 1 1 -27 -4  8  o 28.91985 6.825917  205.4575       118.5134 -33.72522      
191.2869 354.4655       150.9820 21.13814 9.642118 36.70156 9.664476 -15.56342 
13.65183 
1 1 1 -27 -4  9  o 21.92271 6.811098  36.46425       120.6599 18.91129       
184.1622 49.66629       159.7150 21.98313 9.800092 21.86230 9.461629 0.1208382 
13.62220 
1 1 1 -27 -4  10 o 28.79375 7.558217  221.6707       123.6472 275.2555       
174.0176 167.0311       175.7221 31.18210 10.83829 26.40539 10.53746 4.776703 
15.11643 
1 1 1 -27 -4  11 o 40.03940 6.703807  445.9122       130.4489 724.7244       
184.2149 165.4734       184.7515 53.93238 8.135725 26.14642 10.65711 27.78596 
13.40761 
1 1 1 -27 -4  12 o 20.14832 6.691323  -126.3878      150.9578 -331.2074      
212.5627 82.03127       214.4224 16.53545 8.189630 23.76120 10.58420 -7.225754 
13.38265 
1 1 1 -27 -4  13 o 29.71419 7.692718  203.6006       124.6584 531.3665       
228.5998 64.88480       148.7157 38.63411 12.43063 20.79427 9.065935 17.83985 
15.38544 
1 1 1 -27 -4  14 o 33.89908 7.502124  400.5039       125.9431 301.6733       
216.0040 451.4070       155.0203 28.72868 11.59398 39.06948 9.524024 -10.34080 
15.00425 
1 1 1 -27 -3  1  o 43.07047 7.206160  445.1472       128.1531 638.3213       
205.2630 321.7484       164.0558 50.61514 10.01572 35.52580 10.36341 15.08934 
14.41232 
1 1 1 -27 -3  2  f 36.31105 7.919508  356.3881       135.1796 267.8392       
227.3834 404.7912       168.1139 32.68083 12.25785 39.94127 10.03093 -7.260445 
15.83902 
1 1 1 -27 -3  3  o 25.96899 7.062252  102.7059       130.5286 -206.6196      
224.5721 260.5203       160.4062 19.93013 9.533904 32.00784 10.42143 -12.07771 
14.12450 
1 1 1 -27 -3  4  o 41.27573 6.743787  465.7461       124.3643 217.4953       
194.8508 636.3911       161.5487 30.00594 11.32645 52.54551 7.322999 -22.53958 
13.48757 
1 1 1 -27 -3  5  o 23.13481 6.808254  76.86707       109.0980 71.92799       
162.5513 80.91560       147.1688 23.28831 9.790630 22.98132 9.463237 0.3069897 
13.61651 
1 1 1 -27 -3  6  o 26.38149 6.956526  133.4506       110.1611 268.3997       
164.4698 23.64900       148.3560 31.93800 10.55261 20.82498 9.067272 11.11302 
13.91305 
1 1 1 -27 -3  7  o 23.66249 6.926209  94.63255       110.3176 52.89194       
188.9670 116.2134       135.8753 23.48141 10.22864 23.84357 9.341546 
-0.3621616     13.85242 
1 1 1 -27 -3  8  o 21.72049 9.819124  -8.602483      191.0094 -8.602483      
191.0094 0.000000       0.000000 21.72049 9.819124 ?        ?        ? ? 
1 1 1 -27 -3  9  o 21.55166 6.749334  19.20134       122.8941 -46.96625      
187.5796 68.96087       162.6676 20.47936 9.424963 22.62396 9.663546 -2.144608 
13.49867 
1 1 1 -27 -3  10 f 32.37868 7.506875  284.9904       128.1611 441.0462       
183.8934 137.6048       178.7119 39.41164 10.79842 25.34573 10.43105 14.06590 
15.01375 
1 1 1 -27 -3  11 o 23.25898 7.057013  87.74997       123.7732 67.70275       
174.2558 108.1630       175.8385 22.57780 9.828632 23.94016 10.12935 -1.362354 
14.11403 
1 1 1 -27 -3  12 o 23.24915 7.131720  81.51462       121.9457 166.0043       
211.3023 39.32137       149.3220 26.06416 11.06962 20.43415 8.994960 5.630003 
14.26344 
1 1 1 -27 -3  13 o 33.85277 7.902686  360.7802       124.4652 427.2851       
225.2810 331.5609       149.3247 34.37907 12.29353 33.32646 9.933727 1.052612 
15.80537 
1 1 1 -27 -3  14 o 58.97898 6.230854  961.0659       143.3033 933.1411       
232.3463 978.2100       182.0541 55.58897 10.34187 62.36900 6.952687 -6.780029 
12.46171 
1 1 1 -27 -2  1  o 36.77596 7.460319  372.2771       131.1902 186.0127       
219.6105 475.6292       163.5867 29.53209 11.78171 44.01982 9.155148 -14.48772 
14.92064 
1 1 1 -27 -2  2  f 24.37313 7.053744  91.25082       118.6309 -69.96139      
220.9731 156.5288       140.6124 22.33076 10.25705 26.41549 9.685770 -4.084732 
14.10749 
1 1 1 -27 -2  3  f 24.44602 7.243538  78.51173       128.8277 -49.25369      
221.2284 144.0687       158.4687 22.71630 10.36397 26.17574 10.12243 -3.459440 
14.48708 
1 1 1 -27 -2  4  o 34.42605 7.301485  305.5355       113.2503 338.9055       
170.9227 279.4208       151.2042 35.89568 10.61239 32.95642 10.03115 2.939262 
14.60297 
1 1 1 -27 -2  5  o 23.93971 6.956552  91.41707       112.3296 127.0470       
164.9338 60.59299       153.4078 25.44343 10.18770 22.43598 9.475502 3.007452 
13.91310 
1 1 1 -27 -2  6  o 27.02498 6.924814  158.3483       113.0280 10.51835       
168.5505 279.1481       152.3638 21.42315 9.478723 32.62682 10.09782 -11.20367 
13.84963 
1 1 1 -27 -2  7  o 29.94162 7.074702  228.1701       102.9145 264.9198       
162.9620 203.7901       132.7321 31.52524 10.50413 28.35800 9.479923 3.167233 
14.14940 
1 1 1 -27 -2  8  o 19.57447 6.309484  -33.77387      113.8399 -105.6556      
190.6835 6.034935       141.9036 19.47361 9.138232 19.67532 8.702359 
-0.2017155     12.61897 
1 1 1 -27 -2  9  o 28.14326 10.45253  205.2433       164.5342 0.000000       
0.000000 205.2433       164.5342 ?        ?        28.14326 10.45253 ? ? 
1 1 1 -27 -2  10 o 32.25300 7.624206  288.3291       129.4689 160.8640       
181.0879 421.6113       185.1738 26.22243 10.60197 38.28357 10.95957 -12.06113 
15.24841 
1 1 1 -27 -2  11 f 32.39729 7.771754  308.2574       127.1358 364.6072       
183.3383 256.0602       176.4538 34.94781 11.12095 29.84677 10.85933 5.101042 
15.54351 
1 1 1 -27 -2  12 o 23.52882 7.185453  96.84776       121.6327 144.1616       
218.3371 75.55648       146.4652 25.51589 11.05298 21.54175 9.184471 3.974140 
14.37091 
1 1 1 -27 -2  13 o 44.27376 7.511211  552.6028       129.2251 721.1268       
236.5483 480.9142       154.2815 46.91468 11.96895 41.63284 9.078405 5.281845 
15.02242 
1 1 1 -27 -2  14 o 19.99537 6.558949  -26.24829      121.7525 141.6554       
213.9565 -106.6570      148.0631 23.96423 10.63146 16.02651 7.684484 7.937714 
13.11790 
1 1 1 -27 -2  15 o 24.24684 7.219089  138.4644       125.1750 303.8932       
201.0290 33.70852       159.9714 28.81357 11.34207 19.68011 8.934115 9.133455 
14.43818 
1 1 1 -27 -1  1  f 24.18572 7.401912  52.53228       131.7936 57.67643       
228.8563 49.97980       161.2085 25.72373 11.23047 22.64771 9.645195 3.076019 
14.80382 
1 1 1 -27 -1  2  o 33.57785 8.156155  300.0458       138.6989 246.7069       
237.3307 327.7121       170.9258 31.72625 12.36310 35.42945 10.64167 -3.703203 
16.31231 
1 1 1 -27 -1  3  o 26.40361 7.636073  104.5329       127.4024 226.6796       
224.4566 46.47597       154.7456 30.70654 12.01133 22.10069 9.432199 8.605850 
15.27215 
1 1 1 -27 -1  4  o 26.92224 7.100799  159.2903       106.6403 215.1286       
167.9311 121.5570       138.0471 29.45016 10.60573 24.39432 9.444781 5.055840 
14.20160 
1 1 1 -27 -1  5  o 34.33718 6.401985  301.9936       113.7530 48.96910       
168.1024 515.7240       154.4991 22.64192 9.751714 46.03244 8.297332 -23.39052 
12.80397 
1 1 1 -27 -1  6  o 48.46326 6.253916  571.2036       123.9127 668.0342       
187.9420 496.7451       164.8065 52.55225 8.518311 44.37426 9.158834 8.177994 
12.50783 
1 1 1 -27 -1  7  o 30.47421 6.963896  220.5654       101.9612 351.9041       
166.4808 141.7301       128.9818 36.08366 10.41195 24.86475 9.250660 11.21891 
13.92779 
1 1 1 -27 -1  8  f 50.79238 5.989080  642.2421       122.0079 595.8879       
186.2876 677.0616       161.4550 47.92188 9.597895 53.66288 7.166362 -5.741005 
11.97816 
1 1 1 -27 -1  9  o 16.45276 5.516946  -150.6369      107.5209 -312.9296      
165.0970 -31.10383      141.6883 14.50684 7.192837 18.39868 8.367189 -3.891837 
11.03389 
1 1 1 -27 -1  10 f 19.51497 6.372225  -53.19281      123.2987 -10.43763      
171.2216 -99.24471      177.7003 20.38774 9.252052 18.64219 8.764733 1.745543 
12.74445 
1 1 1 -27 -1  11 o 18.39060 8.668797  -99.25157      176.0223 -99.25157      
176.0223 0.000000       0.000000 18.39060 8.668797 ?        ?        ? ? 
1 1 1 -27 -1  12 o 25.16784 7.063908  152.5497       123.8782 -27.45823      
209.4961 249.3295       153.6111 21.05664 9.793567 29.27902 10.18240 -8.222380 
14.12782 
1 1 1 -27 -1  13 o 24.57001 7.366336  144.6113       124.0557 204.6191       
222.4388 117.5203       149.4580 26.43895 11.29693 22.70107 9.456794 3.737881 
14.73267 
1 1 1 -27 -1  14 o 19.43184 6.418983  -11.65429      122.6196 -0.7746857     
216.2488 -16.81002      148.8649 20.80083 9.755729 18.06285 8.345007 2.737974 
12.83797 
1 1 1 -27 0   1  o 19.50189 6.450860  -109.5624      130.5872 -240.2192      
222.4952 -40.90238      161.2897 19.22050 9.265259 19.78329 8.978271 
-0.5627861     12.90172 
1 1 1 -27 0   2  o 25.90649 7.310528  109.5766       134.1861 -114.0119      
226.1760 231.0232       166.6919 21.51472 10.07014 30.29826 10.60035 -8.783545 
14.62106 
1 1 1 -27 0   3  o 29.33048 7.696504  184.5667       123.2304 316.2294       
208.2423 113.6136       152.8703 34.11249 11.85634 24.54847 9.816923 9.564018 
15.39301 
1 1 1 -27 0   4  o 62.91346 5.206141  893.4916       134.5609 1055.089       
219.3618 796.0012       170.3826 66.96337 7.802698 58.86356 6.894454 8.099815 
10.41228 
1 1 1 -27 0   5  o 21.09101 6.549764  17.52435       111.6563 5.508780       
165.4357 27.57680       151.3188 21.10618 9.357927 21.07583 9.166614 
0.3034782E-01  13.09953 
1 1 1 -27 0   6  o 20.74458 6.450276  -7.319821      110.9922 94.83542       
164.8438 -92.04189      150.1207 23.94209 9.950029 17.54706 8.211039 6.395037 
12.90055 
1 1 1 -27 0   7  o 51.32484 5.411906  617.5324       115.7947 715.2872       
176.2251 543.2567       153.6110 54.84990 7.652669 47.79978 7.654512 7.050117 
10.82381 
1 1 1 -27 0   8  o 39.88111 6.096667  433.4938       121.1658 66.76958       
178.0501 749.8113       165.3613 23.18229 10.01085 56.57993 6.961338 -33.39764 
12.19333 
1 1 1 -27 0   9  o 30.94641 7.480117  262.3564       115.5331 292.3931       
180.2409 241.4082       150.5226 32.04026 11.04057 29.85256 10.09527 2.187708 
14.96023 
1 1 1 -27 0   10 o 29.58654 7.250875  243.0785       110.7208 210.3058       
167.6868 268.4107       147.4279 28.01657 10.52293 31.15651 9.978412 -3.139936 
14.50175 
1 1 1 -27 0   11 o 25.89747 7.351703  167.1359       121.7482 172.4730       
177.5839 162.4026       167.2374 26.16252 10.53141 25.63241 10.26059 0.5301094 
14.70341 
1 1 1 -27 0   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -27 0   13 o 42.43830 6.670923  550.8512       121.0796 348.9537       
188.1281 693.6204       158.1996 32.20280 11.26185 52.67379 7.153718 -20.47099 
13.34185 
1 1 1 -27 0   14 o 19.98306 6.537333  -138.8382      124.2839 252.4028       
218.9485 -324.8318      150.9624 27.03542 11.36425 12.93071 6.465353 14.10471 
13.07467 
1 1 1 -27 1   1  o 63.25928 6.199933  953.8310       154.3376 986.6339       
268.5421 937.6518       188.5968 62.62214 10.21423 63.89642 7.030382 -1.274273 
12.39987 
1 1 1 -27 1   2  o 20.26346 6.522427  -70.97113      129.8337 -327.1060      
228.6506 50.91160       157.7281 18.22573 8.918003 22.30119 9.520370 -4.075462 
13.04485 
1 1 1 -27 1   3  o 21.84586 6.581495  24.16333       110.7419 129.8158       
159.9590 -73.08848      153.4679 25.35359 10.07377 18.33813 8.472509 7.015463 
13.16299 
1 1 1 -27 1   4  o 23.86944 6.954118  95.20996       112.8046 75.90971       
166.6389 111.5353       153.2593 23.43625 9.885721 24.30262 9.783228 
-0.8663635     13.90824 
1 1 1 -27 1   5  o 28.27078 7.226683  179.7588       111.0959 296.2846       
176.4668 103.2518       142.9890 33.02875 10.93071 23.51282 9.456178 9.515930 
14.45337 
1 1 1 -27 1   6  o 24.73199 6.774402  107.7836       111.7340 -38.11035      
165.1715 230.8760       151.7162 19.73750 8.991526 29.72647 10.13521 -9.988960 
13.54880 
1 1 1 -27 1   7  f 22.74209 6.759851  78.15121       109.1869 69.84739       
163.8578 84.78298       146.4342 22.80179 9.717877 22.68239 9.399214 0.1194057 
13.51970 
1 1 1 -27 1   8  o 30.56577 7.345446  253.9463       112.2099 261.9918       
169.5147 247.6716       149.7031 30.82361 10.69873 30.30793 10.06775 0.5156822 
14.69089 
1 1 1 -27 1   9  o 36.36869 7.275169  366.6508       115.3644 379.6165       
175.1276 356.7112       153.3355 36.54499 10.72241 36.19239 9.835766 0.3525963 
14.55034 
1 1 1 -27 1   10 o 21.92309 6.663430  58.83708       110.3768 113.0484       
166.9836 16.77100       147.0939 23.93641 9.985203 19.90977 8.826151 4.026638 
13.32686 
1 1 1 -27 1   11 o 44.88950 6.145780  531.2296       112.2852 654.1696       
157.5618 404.3632       160.0581 51.88633 7.233008 37.89266 9.938109 13.99368 
12.29156 
1 1 1 -27 1   12 o 20.52498 6.621967  11.64134       121.8053 2.848373       
209.6800 16.11990       149.6439 21.51299 9.925609 19.53698 8.768358 1.976013 
13.24393 
1 1 1 -27 1   13 o 27.17243 10.19509  226.3242       157.3193 0.000000       
0.000000 226.3242       157.3193 ?        ?        27.17243 10.19509 ? ? 
1 1 1 -27 1   14 f 23.11991 7.147182  44.86286       126.1930 340.5209       
226.3035 -88.55876      152.0231 29.70657 11.91733 16.53325 7.893415 13.17332 
14.29436 
1 1 1 -27 2   1  o 27.05477 7.856764  115.2429       136.9853 259.7308       
237.3808 43.10413       167.7313 31.67263 12.35985 22.43690 9.703045 9.235733 
15.71353 
1 1 1 -27 2   2  o 23.92084 7.315973  64.36813       129.3260 42.11776       
228.6071 74.84042       156.8345 24.82196 11.00355 23.01972 9.644469 1.802237 
14.63195 
1 1 1 -27 2   3  o 42.14076 6.146658  441.1531       105.2055 502.2613       
151.7565 384.6101       145.9778 45.31928 8.283912 38.96225 9.083084 6.357029 
12.29332 
1 1 1 -27 2   4  o 26.53243 6.472852  69.48967       114.1226 369.7870       
168.5537 -184.6999      155.0749 37.10337 10.40361 15.96150 7.704297 21.14187 
12.94570 
1 1 1 -27 2   5  o 28.10756 7.311923  196.1880       113.7661 228.1953       
166.4642 168.1360       155.8398 29.57508 10.56837 26.64005 10.10774 2.935020 
14.62385 
1 1 1 -27 2   6  f 54.94971 4.887985  697.5759       110.7301 540.7119       
150.0528 885.1330       164.0775 47.74839 7.485250 62.15104 6.288133 -14.40265 
9.775970 
1 1 1 -27 2   7  o 25.60453 6.908555  117.1355       112.0051 277.7883       
168.4673 -10.13162      149.9441 31.69855 10.68009 19.51052 8.766315 12.18803 
13.81711 
1 1 1 -27 2   8  o 27.10217 7.082853  184.2726       104.4140 209.0029       
169.5580 169.1660       132.5217 28.19798 10.58337 26.00636 9.415917 2.191624 
14.16571 
1 1 1 -27 2   9  o 17.52124 5.817314  -97.65423      110.7162 -173.5629      
167.5956 -38.87460      147.4791 16.65035 8.030008 18.39213 8.419236 -1.741776 
11.63463 
1 1 1 -27 2   10 o 30.30421 6.597196  240.2104       113.5158 16.52388       
168.0782 427.8116       153.9250 20.76692 9.307231 39.84150 9.352401 -19.07457 
13.19439 
1 1 1 -27 2   11 o 21.26560 6.362738  34.39973       110.2622 -139.5177      
165.2263 174.0406       148.0519 16.86995 8.095847 25.66126 9.818095 -8.791313 
12.72548 
1 1 1 -27 2   12 o 22.89089 6.726999  116.3453       105.1712 135.8403       
163.8886 102.6963       137.1316 23.81604 9.910872 21.96574 9.098607 1.850304 
13.45400 
1 1 1 -27 2   13 o 21.73509 6.659386  91.81180       111.4090 115.1048       
167.5931 73.36824       149.1304 22.64895 9.745637 20.82122 9.078118 1.827732 
13.31877 
1 1 1 -27 2   14 o 27.11317 7.612974  186.5654       128.7485 454.7729       
224.2866 54.75150       157.2347 34.00027 12.25555 20.22606 9.034985 13.77422 
15.22595 
1 1 1 -27 3   1  o 37.07422 8.348249  359.2820       140.9242 521.2141       
243.4456 277.6726       172.8247 41.98000 12.71844 32.16845 10.81732 9.811554 
16.69650 
1 1 1 -27 3   2  o 33.50597 7.960515  312.7824       131.6175 271.8096       
228.4742 333.1332       161.0199 31.70325 12.17719 35.30869 10.25647 -3.605434 
15.92103 
1 1 1 -27 3   3  o 29.52872 6.868354  219.0393       103.4995 311.2152       
147.6137 129.9047       145.1581 34.37257 9.767736 24.68486 9.658595 9.687706 
13.73671 
1 1 1 -27 3   4  o 28.47706 7.219395  202.9075       117.2009 90.71198       
176.8624 290.7494       156.4943 24.08572 10.17327 32.86840 10.24614 -8.782682 
14.43879 
1 1 1 -27 3   5  o 35.96954 6.893001  363.7893       113.2052 223.1709       
180.4101 455.1155       145.3909 29.21997 10.92669 42.71912 8.406022 -13.49916 
13.78600 
1 1 1 -27 3   6  o 45.48718 6.370503  540.6188       117.3096 420.0874       
175.7373 637.4937       157.5504 39.05122 10.49278 51.92315 7.227358 -12.87193 
12.74101 
1 1 1 -27 3   7  o 28.21539 6.869888  169.7554       103.9093 356.0586       
169.3646 57.29842       131.5847 35.64076 10.57033 20.79002 8.777794 14.85074 
13.73978 
1 1 1 -27 3   8  o 46.68075 6.230540  546.4143       118.9974 655.1745       
181.9271 465.0879       157.3179 51.23771 8.457244 42.12379 9.151695 9.113918 
12.46108 
1 1 1 -27 3   9  o 69.23164 4.390304  1102.115       124.8211 1176.796       
200.3492 1054.738       159.5754 70.49015 6.769870 67.97313 5.591774 2.517021 
8.780608 
1 1 1 -27 3   10 o 23.58910 6.896016  117.3123       111.8031 85.72388       
167.0191 142.9598       150.4957 22.71129 9.749291 24.46692 9.755586 -1.755627 
13.79203 
1 1 1 -27 3   11 o 16.48520 5.574576  -130.1885      110.6432 -208.4885      
165.2428 -66.55399      148.9663 15.60434 7.622707 17.36607 8.136211 -1.761729 
11.14915 
1 1 1 -27 3   12 o 17.01691 5.657817  -118.1386      111.5687 -311.7770      
167.4229 36.53986       149.6353 14.17109 7.057732 19.86273 8.844885 -5.691639 
11.31563 
1 1 1 -27 3   13 o 25.11895 7.018636  185.6651       113.5392 114.1093       
170.0920 243.1731       152.4845 22.51700 9.754827 27.72091 10.09398 -5.203911 
14.03727 
1 1 1 -27 3   14 o 24.93375 6.840386  151.6656       106.5033 325.5033       
171.1689 41.84993       136.0458 30.79122 10.74472 19.07627 8.468440 11.71495 
13.68077 
1 1 1 -27 4   1  o 33.04721 8.206932  302.1186       137.4283 326.6555       
230.2820 288.5459       171.2710 33.59270 12.38759 32.50171 10.76859 1.090992 
16.41386 
1 1 1 -27 4   2  o 23.60592 6.445241  80.59506       107.1312 -115.1156      
164.4797 224.7992       141.1867 17.84014 8.400665 29.37169 9.777184 -11.53155 
12.89048 
1 1 1 -27 4   3  o 29.05009 6.855088  217.7236       99.66933 268.2385       
141.9127 168.5514       140.0139 31.79853 9.725936 26.30164 9.663079 5.496893 
13.71018 
1 1 1 -27 4   4  o 21.49793 6.650472  30.07365       114.4670 73.73070       
168.0156 -7.742352      156.3725 23.04052 9.830647 19.95534 8.959546 3.085180 
13.30094 
1 1 1 -27 4   5  o 23.15380 6.870354  77.29161       113.9155 148.9780       
168.7626 17.29095       154.3960 25.75501 10.30827 20.55259 9.085523 5.202419 
13.74071 
1 1 1 -27 4   6  o 20.60632 6.338305  30.24847       104.8298 -47.04440      
165.7473 81.78030       135.3364 19.28021 8.867385 21.93243 9.059025 -2.652224 
12.67661 
1 1 1 -27 4   7  o 24.95478 6.987398  138.9097       107.1487 176.8991       
167.7435 112.7256       139.2624 26.62160 10.38970 23.28796 9.346069 3.333639 
13.97480 
1 1 1 -27 4   8  o 18.09685 5.892219  -49.01581      104.7110 -134.9043      
168.2243 5.308721       133.7886 17.34427 8.286044 18.84942 8.379406 -1.505144 
11.78444 
1 1 1 -27 4   9  o 33.04239 7.426125  319.0418       115.7774 312.3628       
173.3230 324.4234       155.5786 32.41365 10.83290 33.67113 10.16059 -1.257484 
14.85225 
1 1 1 -27 4   10 o 21.11615 6.569089  47.23430       112.5305 78.63931       
167.5183 21.40940       151.9086 22.29999 9.671062 19.93231 8.892823 2.367687 
13.13818 
1 1 1 -27 4   11 o 32.90684 7.095056  330.6748       108.8220 282.8045       
172.1167 362.5551       140.4593 29.99113 10.74338 35.82254 9.270332 -5.831411 
14.19011 
1 1 1 -27 4   12 o 20.90128 6.394209  47.35268       111.7237 -97.06837      
164.0114 172.3872       152.6068 17.12643 8.181891 24.67612 9.828546 -7.549685 
12.78842 
1 1 1 -27 4   13 o 29.09683 7.464260  279.4166       117.5635 334.8030       
176.4373 235.1907       157.6622 31.13443 10.90459 27.05924 10.19562 4.075191 
14.92852 
1 1 1 -27 5   1  o 21.35718 6.741423  -13.84522      125.6784 98.03986       
187.1489 -105.7465      169.6141 24.46933 10.40576 18.24504 8.573639 6.224291 
13.48285 
1 1 1 -27 5   2  o 33.58562 7.601358  315.7769       120.9603 315.6469       
178.6230 315.8871       164.3893 33.40974 10.99729 33.76149 10.49677 
-0.3517418     15.20272 
1 1 1 -27 5   3  o 30.83352 7.463052  251.9094       120.0556 357.5517       
176.7967 161.5102       163.5450 35.53201 10.85324 26.13503 10.24675 9.396986 
14.92610 
1 1 1 -27 5   4  o 25.70544 7.222809  148.8503       116.8353 189.8671       
172.3003 113.9370       158.9644 27.37943 10.56177 24.03145 9.855200 3.347980 
14.44562 
1 1 1 -27 5   5  f 28.46201 7.305270  204.6560       115.3863 304.2100       
173.2427 125.2823       154.6906 32.64109 10.83040 24.28292 9.806651 8.358177 
14.61054 
1 1 1 -27 5   6  o 64.10113 5.125100  991.2281       135.0355 932.7308       
208.0074 1033.840       177.5311 61.52583 8.052714 66.67643 6.341956 -5.150600 
10.25020 
1 1 1 -27 5   7  o 27.57069 7.109920  205.0553       106.2947 186.2132       
172.9715 216.4882       134.7378 26.83705 10.53456 28.30433 9.551281 -1.467278 
14.21984 
1 1 1 -27 5   8  o 18.05111 5.779962  -25.97151      96.27182 -86.15143      
137.4403 31.99851       134.8932 16.42229 7.717291 19.67994 8.606697 -3.257654 
11.55992 
1 1 1 -27 5   9  o 55.74915 5.840444  812.9888       126.5983 593.1324       
184.3603 1009.167       174.1498 46.19546 9.802805 65.30285 6.352020 -19.10739 
11.68089 
1 1 1 -27 5   10 o 25.51019 6.286908  41.86972       113.8966 410.8150       
169.4212 -262.3760      153.8506 36.91106 10.45650 14.10931 6.983012 22.80174 
12.57382 
1 1 1 -27 5   11 o 26.25796 7.248697  206.7089       115.5933 199.2293       
169.6645 213.1884       157.9144 25.93344 10.35264 26.58248 10.14876 
-0.6490345     14.49739 
1 1 1 -27 5   12 f 17.60622 5.718095  -12.74156      96.59106 -33.17333      
136.3093 7.865689       136.8934 17.03157 7.913115 18.18087 8.256455 -1.149296 
11.43619 
1 1 1 -27 5   13 o 19.01000 6.163346  9.632708       111.8933 9.519072       
166.1101 9.727099       151.3938 19.28171 8.871861 18.73829 8.557885 0.5434284 
12.32669 
1 1 1 -27 6   1  o 40.69657 7.316428  507.1921       140.0148 259.8020       
237.2428 639.4133       173.4413 30.34946 12.19087 51.04368 8.093410 -20.69422 
14.63286 
1 1 1 -27 6   2  o 21.78523 6.443890  59.65574       106.3950 -76.68414      
171.3939 145.1317       135.7082 18.82849 8.796221 24.74198 9.419203 -5.913486 
12.88778 
1 1 1 -27 6   3  o 20.72753 6.491536  5.030108       116.8508 -97.51601      
173.0012 91.06089       158.4588 18.43165 8.660602 23.02341 9.672339 -4.591766 
12.98307 
1 1 1 -27 6   4  o 38.80097 7.194035  432.2711       123.7484 304.0341       
184.5415 537.0511       166.8117 32.21782 11.16476 45.38413 9.075496 -13.16631 
14.38807 
1 1 1 -27 6   5  o 28.89632 7.397009  232.0173       115.5510 220.5314       
172.8078 241.3059       155.4020 28.35881 10.67630 29.43384 10.24107 -1.075029 
14.79402 
1 1 1 -27 6   6  f 19.17783 6.168926  -38.21467      113.6287 -157.3124      
170.3563 57.23840       152.5111 16.98295 8.167154 21.37271 9.247711 -4.389765 
12.33785 
1 1 1 -27 6   7  o 28.93117 6.971498  229.0330       119.2058 32.78782       
184.2298 370.3693       156.3462 21.71178 9.737093 36.15056 9.979788 -14.43878 
13.94300 
1 1 1 -27 6   8  o 27.98326 7.232683  195.5995       116.9596 363.2247       
180.6780 74.69029       153.4494 34.26797 11.05370 21.69855 9.330736 12.56942 
14.46537 
1 1 1 -27 6   9  o 46.31048 5.606149  551.4511       106.3855 526.9819       
152.7215 574.5178       148.2804 44.58982 8.464320 48.03114 7.353291 -3.441322 
11.21230 
1 1 1 -27 6   10 o 23.05824 6.852001  119.0625       116.3766 36.40018       
174.1079 185.8207       156.4649 20.68815 9.362362 25.42832 10.00729 -4.740177 
13.70400 
1 1 1 -27 6   11 o 26.36292 7.234416  216.1488       118.8930 143.8542       
177.6130 274.8434       160.0372 23.62243 10.09412 29.10341 10.36609 -5.480972 
14.46883 
1 1 1 -27 6   12 o 22.22513 6.759142  113.2432       115.3569 69.88605       
169.0314 151.0411       157.8233 20.98967 9.372160 23.46059 9.742003 -2.470917 
13.51828 
1 1 1 -27 7   1  o 22.70670 6.953277  64.36589       126.4522 -37.70236      
199.1778 133.2837       163.6671 20.83888 9.637149 24.57451 10.02585 -3.735636 
13.90655 
1 1 1 -27 7   2  o 27.49763 7.313261  201.8763       118.2177 133.1801       
176.1794 258.1393       159.4411 24.82411 10.29963 30.17116 10.38521 -5.347052 
14.62652 
1 1 1 -27 7   3  o 24.02244 6.928907  125.8086       111.1025 79.73410       
179.6160 154.3622       141.3985 23.07062 10.00985 24.97425 9.583416 -1.903631 
13.85781 
1 1 1 -27 7   4  o 32.56617 6.801823  292.8228       120.7906 58.46435       
177.2997 495.8160       165.0093 22.28812 9.806314 42.84421 9.428433 -20.55609 
13.60365 
1 1 1 -27 7   5  o 31.61747 7.074358  265.2716       115.1130 451.9640       
173.6233 118.8376       153.7679 39.70933 10.32115 23.52561 9.677808 16.18372 
14.14872 
1 1 1 -27 7   6  o 17.82528 5.882852  -59.39005      105.1175 -37.45234      
170.4792 -72.84693      133.5205 19.25757 8.909685 16.39300 7.684353 2.864578 
11.76570 
1 1 1 -27 7   7  o 33.65305 7.282673  317.8889       120.3236 518.4843       
185.5102 172.2160       158.0872 41.87586 10.54944 25.43025 10.04284 16.44561 
14.56535 
1 1 1 -27 7   8  o 22.63852 6.516147  27.70612       108.7240 288.3623       
173.8298 -139.7872      139.3442 30.16186 10.79749 15.11517 7.297592 15.04668 
13.03229 
1 1 1 -27 7   9  o 41.34712 7.203009  519.3643       124.5428 477.3213       
186.7434 553.0446       167.1424 38.49970 11.00099 44.19455 9.301156 -5.694847 
14.40602 
1 1 1 -27 7   10 o 28.77093 6.234762  199.6210       118.6921 -153.4629      
176.7587 489.5623       160.1758 16.64891 8.074192 40.89296 9.502445 -24.24405 
12.46952 
1 1 1 -27 7   11 o 28.20452 7.129048  234.4982       104.6162 362.7313       
175.4328 163.7317       130.3241 32.50310 10.89864 23.90594 9.193091 8.597166 
14.25810 
1 1 1 -27 8   1  o 19.36826 6.263352  -45.12189      119.2947 -172.1496      
172.8593 70.39661       164.8425 16.71026 8.078730 22.02625 9.573528 -5.315996 
12.52670 
1 1 1 -27 8   2  o 24.89743 6.574699  128.3195       103.8607 -12.85434      
143.7370 282.5588       150.2412 18.57793 8.443036 31.21693 10.08076 -12.63900 
13.14940 
1 1 1 -27 8   3  o 29.89648 7.552207  269.5773       121.1256 237.0496       
183.6979 294.5977       161.1108 28.34497 10.91146 31.44799 10.44430 -3.103020 
15.10441 
1 1 1 -27 8   4  o 30.73800 6.482543  275.7075       112.9344 24.23149       
180.3678 437.8733       144.8406 21.07894 9.534725 40.39705 8.785357 -19.31811 
12.96509 
1 1 1 -27 8   5  o 23.99742 6.742374  120.5784       114.5333 -42.27223      
172.8070 248.1588       152.9532 19.06023 8.876485 28.93461 10.15118 -9.874384 
13.48475 
1 1 1 -27 8   6  f 23.54910 6.965238  127.9345       117.5600 70.21458       
178.1526 172.4545       156.4613 21.96857 9.729325 25.12962 9.969872 -3.161053 
13.93048 
1 1 1 -27 8   7  o 23.39269 6.832543  119.2713       117.1827 -3.942163      
173.1661 223.3607       159.1611 19.66257 9.051824 27.12281 10.23714 -7.460234 
13.66509 
1 1 1 -27 8   8  o 21.70266 6.644602  64.91537       115.0675 194.0055       
172.5119 -38.54945      154.4433 25.51996 10.33555 17.88537 8.353407 7.634592 
13.28920 
1 1 1 -27 8   9  o 18.71765 6.106427  -16.28964      115.1313 -112.4645      
177.1719 54.00772       151.4724 17.31946 8.328969 20.11584 8.932082 -2.796381 
12.21285 
1 1 1 -27 8   10 o 19.97700 6.220298  47.49662       107.6072 -81.30765      
173.7018 127.7130       137.0790 17.64833 8.428572 22.30567 9.150280 -4.657345 
12.44060 
1 1 1 -27 9   1  o 21.13005 6.637475  1.692037       127.0344 181.3506       
181.7321 -169.9769      177.6452 25.55801 10.51869 16.70209 8.098244 8.855915 
13.27495 
1 1 1 -27 9   2  o 22.81746 6.958724  101.6828       120.2650 150.5875       
183.6762 64.98225       159.1161 24.47303 10.35362 21.16188 9.300430 3.311150 
13.91745 
1 1 1 -27 9   3  o 20.47932 6.478524  18.04586       116.8100 128.0462       
174.0065 -72.18722      157.5982 23.50465 10.01577 17.45399 8.220068 6.050659 
12.95705 
1 1 1 -27 9   4  o 20.22827 6.214249  55.54447       99.21951 104.3102       
142.6490 9.841512       138.0968 21.92961 9.193321 18.52693 8.363636 3.402674 
12.42850 
1 1 1 -27 9   5  o 47.99071 6.544830  669.6166       124.3160 527.1038       
193.9503 768.9956       161.9611 40.41925 11.09652 55.56216 6.943087 -15.14291 
13.08966 
1 1 1 -27 9   6  o 21.19452 6.623750  69.38466       117.9538 13.75898       
177.9434 112.9843       157.5381 20.04826 9.206849 22.34078 9.525240 -2.292521 
13.24750 
1 1 1 -27 9   7  o 20.29086 6.471084  37.87687       115.9992 96.21761       
175.5628 -7.326349      154.5366 22.04819 9.724984 18.53353 8.539577 3.514664 
12.94217 
1 1 1 -27 9   8  o 26.03627 7.275796  215.8898       118.3462 190.8429       
177.3259 236.0062       158.9169 25.03115 10.35607 27.04140 10.22255 -2.010246 
14.55159 
1 1 1 -27 9   9  o 18.03723 8.763488  -144.7112      209.9018 0.000000       
0.000000 -144.7112      209.9018 ?        ?        18.03723 8.763488 ? ? 
1 1 1 -27 10  1  o 24.38661 6.771636  160.3216       108.1569 254.7520       
150.6234 59.80399       155.4023 28.32494 10.05982 20.44828 9.067533 7.876661 
13.54327 
1 1 1 -27 10  2  o 20.23689 6.446738  30.95549       119.5918 -65.74300      
176.9971 112.1853       162.2236 18.19138 8.620350 22.28239 9.588081 -4.091005 
12.89348 
1 1 1 -27 10  3  o 24.37714 7.068475  154.7996       118.3755 263.0545       
177.4918 68.07000       158.8686 27.97648 10.73663 20.77781 9.196639 7.198669 
14.13695 
1 1 1 -27 10  4  o 26.42309 7.351817  223.0420       119.0660 235.2115       
178.3251 213.2524       159.9405 26.77647 10.63725 26.06972 10.15115 0.7067451 
14.70363 
1 1 1 -27 10  5  o 29.62490 6.730937  259.8143       104.3162 413.3595       
153.3279 127.4959       142.3355 36.84114 9.756777 22.40866 9.275093 14.43249 
13.46187 
1 1 1 -27 10  6  o 26.23269 11.09883  231.8404       211.0919 0.000000       
0.000000 231.8404       211.0919 ?        ?        26.23269 11.09883 ? ? 
1 1 1 -27 10  7  o 17.80959 8.642621  -142.0828      203.0930 0.000000       
0.000000 -142.0828      203.0930 ?        ?        17.80959 8.642621 ? ? 
1 1 1 -26 -26 1  o 27.20774 7.854849  259.7768       142.0891 262.7281       
205.2799 257.0624       196.8724 27.25776 11.19228 27.15771 11.02395 0.1000423 
15.70970 
1 1 1 -26 -25 1  o 36.02300 7.835535  434.8031       134.0047 336.1950       
186.8838 539.1584       192.2527 31.15891 11.19147 40.88710 10.96965 -9.728193 
15.67107 
1 1 1 -26 -25 2  o 20.49415 6.674873  31.54634       131.3884 15.12556       
205.8417 42.83641       170.6809 20.68262 9.653612 20.30567 9.220818 0.3769474 
13.34975 
1 1 1 -26 -24 1  o 25.34206 7.164276  164.0860       115.7112 231.2340       
174.8164 111.7294       154.3658 27.82659 10.66227 22.85753 9.572015 4.969057 
14.32855 
1 1 1 -26 -24 2  o 25.86534 7.153965  192.0405       122.3934 63.78998       
188.5434 285.4461       160.9045 21.77387 9.804048 29.95680 10.42101 -8.182932 
14.30793 
1 1 1 -26 -24 3  o 24.16338 7.134907  162.7069       119.2895 190.1675       
185.3209 143.2793       155.8759 25.08516 10.49531 23.24161 9.668298 1.843546 
14.26981 
1 1 1 -26 -23 1  o 26.98712 7.101371  182.5846       114.3831 293.9569       
163.4585 75.71844       160.1176 31.75707 10.52012 22.21717 9.541750 9.539902 
14.20274 
1 1 1 -26 -23 2  o 19.11309 6.365558  -75.99118      132.3947 -95.34141      
189.0934 -57.38360      185.4292 18.82095 8.914601 19.40524 9.089069 
-0.5842953     12.73112 
1 1 1 -26 -23 3  f 22.36639 6.860622  85.78175       122.4762 160.2507       
171.9654 9.121739       174.4768 24.62863 10.19448 20.10416 9.183965 4.524471 
13.72124 
1 1 1 -26 -23 4  o 34.81524 7.104930  380.2785       122.3200 199.8371       
169.8135 574.8665       176.3445 25.57875 10.29759 44.05173 9.791823 -18.47298 
14.20986 
1 1 1 -26 -23 5  o 18.41325 6.032775  -21.36272      108.2970 -74.28758      
139.8410 57.93925       171.1774 16.14501 7.656145 20.68150 9.325285 -4.536482 
12.06555 
1 1 1 -26 -22 1  o 33.85777 7.617493  327.4250       121.5267 303.0958       
166.0796 355.4663       178.2997 32.67467 10.60354 35.04087 10.93937 -2.366196 
15.23499 
1 1 1 -26 -22 2  o 26.57881 7.438039  149.6753       137.1851 -28.27723      
198.5218 312.3192       189.7907 20.96694 9.667668 32.19068 11.30637 -11.22374 
14.87608 
1 1 1 -26 -22 3  o 19.62152 6.480165  -66.77880      132.6683 -143.3641      
183.5674 16.96632       191.9564 17.77040 8.529282 21.47263 9.758152 -3.702225 
12.96033 
1 1 1 -26 -22 4  o 26.17126 7.038752  181.2498       122.2081 2.494939       
188.2154 311.5399       160.6874 20.56334 9.454070 31.77917 10.43056 -11.21584 
14.07750 
1 1 1 -26 -22 5  o 19.72289 6.254471  30.71977       106.9002 -9.415118      
142.7252 82.00645       161.3400 18.04387 8.269258 21.40191 9.385789 -3.358036 
12.50894 
1 1 1 -26 -22 6  o 28.49583 7.336525  264.1740       117.5539 179.7687       
162.3696 357.1507       170.4147 24.54844 9.995781 32.44323 10.74164 -7.894789 
14.67305 
1 1 1 -26 -21 1  o 21.23180 6.793922  -7.924250      128.7887 -21.41777      
203.6202 1.073298       166.2724 21.79693 9.944098 20.66667 9.259829 1.130262 
13.58784 
1 1 1 -26 -21 2  o 25.66190 7.513119  139.7333       133.3355 95.04189       
199.1445 176.0465       179.5101 24.48960 10.58148 26.83421 10.66865 -2.344603 
15.02624 
1 1 1 -26 -21 3  o 24.91429 7.390951  114.1398       136.1882 3.870223       
197.9428 213.2572       187.6664 21.76013 9.894227 28.06846 10.98221 -6.308331 
14.78190 
1 1 1 -26 -21 4  o 21.30016 6.623504  45.15370       114.8950 85.23992       
166.6733 8.857043       158.5994 22.62755 9.727150 19.97276 8.992540 2.654793 
13.24701 
1 1 1 -26 -21 5  o 16.70179 5.632606  -115.2422      110.4873 -57.58734      
153.5028 -177.2216      159.1557 17.71398 8.292041 15.68961 7.625422 2.024374 
11.26521 
1 1 1 -26 -21 6  o 23.11256 6.750906  131.0775       110.4850 189.9987       
148.3315 57.64956       165.5877 25.39860 9.799231 20.82652 9.288379 4.572075 
13.50181 
1 1 1 -26 -21 7  o 29.09825 6.849691  270.5581       102.0714 201.8918       
155.5808 322.4486       135.2471 25.50304 9.995125 32.69346 9.368595 -7.190418 
13.69938 
1 1 1 -26 -20 1  o 22.91150 7.212510  25.21135       139.3984 -3.223515      
212.2255 46.78855       184.8713 22.79905 10.32610 23.02395 10.07238 
-0.2249012     14.42502 
1 1 1 -26 -20 2  o 57.06132 6.915746  866.4442       152.9035 729.4692       
244.2867 954.6730       196.0582 50.65176 11.71226 63.47088 7.357522 -12.81911 
13.83149 
1 1 1 -26 -20 3  o 26.57560 7.468119  164.5694       129.9935 64.88144       
202.5793 234.3520       169.4913 23.79519 10.47570 29.35600 10.64664 -5.560804 
14.93624 
1 1 1 -26 -20 4  o 22.42254 6.714232  75.13669       112.4329 -5.816836      
173.3644 133.9021       147.7077 20.52276 9.312059 24.32232 9.675186 -3.799562 
13.42846 
1 1 1 -26 -20 5  o 23.77282 6.476717  126.8932       102.6290 -35.37188      
174.4808 212.7305       126.9034 19.60303 9.048147 27.94260 9.269440 -8.339575 
12.95343 
1 1 1 -26 -20 6  f 17.32694 5.704854  -64.28825      101.8111 9.968157       
148.0611 -130.8913      140.2236 19.23649 8.673318 15.41739 7.413162 3.819103 
11.40971 
1 1 1 -26 -20 7  o 19.68740 6.140004  43.58366       101.2787 -18.03663      
155.8620 88.61646       133.2425 18.45666 8.531495 20.91814 8.832451 -2.461485 
12.28001 
1 1 1 -26 -20 8  o 18.89873 5.971897  28.17445       99.71838 -43.99445      
153.7464 80.57845       131.0123 17.51583 8.217004 20.28163 8.668048 -2.765791 
11.94379 
1 1 1 -26 -19 1  o 41.63654 8.042693  484.8814       144.0036 444.5727       
231.3136 510.3897       184.0107 39.06330 12.49772 44.20979 10.12653 -5.146481 
16.08539 
1 1 1 -26 -19 2  o 21.28490 6.852412  -67.38625      137.0960 84.15625       
205.7170 -188.4655      183.8815 24.92441 10.76183 17.64540 8.485592 7.279011 
13.70482 
1 1 1 -26 -19 3  o 25.78989 6.879018  75.85991       120.8703 329.5602       
179.4110 -134.9907      163.5596 34.24775 11.01164 17.33202 8.247867 16.91573 
13.75804 
1 1 1 -26 -19 4  o 37.64179 7.896359  405.8741       131.9133 424.5679       
209.9883 393.6881       169.5420 37.60201 11.89535 37.68157 10.38801 
-0.7955933E-01 15.79272 
1 1 1 -26 -19 5  o 23.16988 6.945520  83.48976       109.3319 142.0891       
197.1007 57.44552       131.4007 25.71509 10.79454 20.62468 8.742930 5.090408 
13.89104 
1 1 1 -26 -19 6  o 27.97214 6.849772  202.9883       105.2196 322.0850       
152.3411 94.34710       145.5004 33.58881 10.03796 22.35547 9.322927 11.23335 
13.69954 
1 1 1 -26 -19 7  o 35.85859 6.784851  363.8110       107.5736 493.6846       
159.5744 255.6250       145.6425 42.25965 9.248059 29.45752 9.930268 12.80214 
13.56970 
1 1 1 -26 -19 8  o 19.34377 6.092951  29.91299       102.9646 -48.44260      
161.2115 83.89884       133.8138 17.95761 8.422424 20.72993 8.806758 -2.772329 
12.18590 
1 1 1 -26 -19 9  o 61.66516 5.327812  1009.766       131.5594 865.9359       
205.3569 1109.889       171.3363 55.69281 8.782764 67.63751 6.033688 -11.94470 
10.65562 
1 1 1 -26 -18 1  o 22.61855 7.176842  -9.435607      142.8006 -69.63139      
213.1128 39.61576       192.3765 21.72529 10.01707 23.51181 10.28039 -1.786520 
14.35368 
1 1 1 -26 -18 2  f 27.32506 7.124947  156.9106       127.1194 -84.04282      
209.1119 298.1461       160.0974 21.09502 9.801065 33.55511 10.34401 -12.46009 
14.24989 
1 1 1 -26 -18 3  o 50.74328 7.432921  665.3791       149.5654 768.0987       
244.7499 604.1573       188.9508 52.97818 11.33356 48.50838 9.619957 4.469807 
14.86584 
1 1 1 -26 -18 4  o 32.13132 7.258955  239.0050       120.9889 473.2375       
191.1224 82.36488       156.2930 41.31229 10.87123 22.95035 9.622166 18.36193 
14.51791 
1 1 1 -26 -18 5  o 23.26087 7.110631  54.24189       124.1022 156.5441       
202.9246 -6.882065      156.8549 26.63299 11.05220 19.88875 8.949479 6.744242 
14.22126 
1 1 1 -26 -18 6  o 45.10241 7.031054  596.4229       136.1783 346.1018       
210.0847 777.8177       178.8373 33.54235 11.88391 56.66246 7.517679 -23.12010 
14.06211 
1 1 1 -26 -18 7  o 26.32940 6.706224  151.8392       106.7277 322.5495       
157.3920 6.524124       145.2139 33.36117 10.25057 19.29763 8.649835 14.06354 
13.41245 
1 1 1 -26 -18 8  o 39.70748 6.703453  431.4945       108.7206 533.8279       
173.3748 365.1739       139.5731 43.29730 9.769483 36.11767 9.181630 7.179630 
13.40691 
1 1 1 -26 -18 9  o 21.17392 6.566156  76.09624       112.5581 44.14207       
159.7978 107.5619       158.5717 20.19658 9.062759 22.15125 9.503896 -1.954676 
13.13231 
1 1 1 -26 -18 10 o 30.93520 7.563221  308.6665       125.9199 175.8775       
166.5635 485.7824       192.3657 24.39526 10.06021 37.47514 11.29608 -13.07988 
15.12644 
1 1 1 -26 -17 1  o 32.76691 7.808277  281.7554       129.6068 217.6283       
203.9453 325.1983       167.8621 30.18707 11.53097 35.34675 10.53155 -5.159679 
15.61655 
1 1 1 -26 -17 2  o 33.07243 7.791602  278.1387       133.8928 410.0540       
192.6253 154.8215       186.2421 38.95528 11.18644 27.18958 10.84896 11.76569 
15.58320 
1 1 1 -26 -17 3  o 53.11621 6.790400  694.8657       147.0725 824.8536       
228.1717 602.4734       192.3659 57.68309 9.421808 48.54934 9.780985 9.133743 
13.58080 
1 1 1 -26 -17 4  o 26.30755 7.418181  149.9588       122.6245 152.0462       
186.0954 148.3570       163.0210 26.64942 10.75871 25.96568 10.21606 0.6837463 
14.83636 
1 1 1 -26 -17 5  o 32.91285 7.982389  305.9804       132.1974 291.3202       
211.6825 315.3538       169.2628 32.06655 11.86665 33.75916 10.67974 -1.692604 
15.96478 
1 1 1 -26 -17 6  o 31.16494 7.675324  272.9920       124.3394 232.6586       
181.7686 308.4630       170.4605 29.29097 10.96488 33.03891 10.74308 -3.747940 
15.35065 
1 1 1 -26 -17 7  o 31.53382 7.816198  278.2470       124.1913 353.9983       
207.3723 235.8847       155.0766 33.88386 11.82630 29.18377 10.22303 4.700092 
15.63240 
1 1 1 -26 -17 8  f 20.96238 6.481149  12.86827       115.5360 -121.1479      
163.1310 147.7476       163.6555 17.13361 8.179249 24.79114 10.05590 -7.657534 
12.96230 
1 1 1 -26 -17 9  o 27.37257 7.310534  224.0682       115.4814 196.0440       
164.4439 251.3360       162.2097 26.10855 10.26427 28.63659 10.41251 -2.528036 
14.62107 
1 1 1 -26 -17 10 o 32.16624 7.525155  342.1724       118.3593 322.6470       
166.3077 362.2122       168.4841 31.20017 10.61141 33.13232 10.67286 -1.932152 
15.05031 
1 1 1 -26 -16 1  o 25.88458 7.629125  87.22425       132.6459 175.3401       
223.4654 39.28661       164.8244 29.24335 11.79631 22.52582 9.677872 6.717533 
15.25825 
1 1 1 -26 -16 2  o 61.33236 7.122572  953.2576       166.0906 880.5913       
282.1289 991.7994       205.4691 57.11211 12.13201 65.55261 7.465823 -8.440502 
14.24514 
1 1 1 -26 -16 3  o 24.89877 7.262479  98.74406       122.4146 145.2696       
185.5455 62.88311       162.8979 26.80715 10.77566 22.99038 9.739590 3.816771 
14.52496 
1 1 1 -26 -16 4  o 23.88830 7.274510  54.16397       137.0448 -58.78639      
214.6348 131.9066       178.0681 21.89019 10.07742 25.88640 10.49379 -3.996212 
14.54902 
1 1 1 -26 -16 5  o 36.91640 7.734123  354.6883       122.9030 459.2408       
212.8314 302.3805       150.5400 40.04062 11.84355 33.79218 9.949725 6.248444 
15.46825 
1 1 1 -26 -16 6  o 33.31129 7.619417  294.3958       125.4964 430.3851       
190.1035 189.3570       167.0754 39.06600 11.07939 27.55659 10.46276 11.50941 
15.23883 
1 1 1 -26 -16 7  o 27.07449 7.504702  146.4530       121.8531 311.3721       
208.2667 60.61277       150.2553 32.45570 11.79877 21.69327 9.277463 10.76243 
15.00940 
1 1 1 -26 -16 8  f 31.74070 7.554796  291.0018       118.3056 292.3167       
185.9898 290.1082       153.3215 31.43517 11.17721 32.04623 10.16710 
-0.6110592     15.10959 
1 1 1 -26 -16 9  o 23.56474 7.130569  100.6768       120.9549 160.9753       
202.1012 67.02519       150.9798 25.74272 10.87413 21.38675 9.226769 4.355972 
14.26114 
1 1 1 -26 -16 10 o 23.54778 6.720417  84.38866       123.8175 286.8727       
166.7738 -164.2937      184.8225 30.02131 10.59315 17.07425 8.272919 12.94705 
13.44083 
1 1 1 -26 -16 11 o 18.00069 6.020612  -58.66211      120.5778 -48.37711      
163.9068 -70.79324      178.0106 17.92511 8.424711 18.07628 8.603216 
-0.1511707     12.04122 
1 1 1 -26 -15 1  o 34.78480 8.269766  315.7946       142.8174 269.0560       
233.2131 343.8404       180.6545 33.04111 12.40984 36.52850 10.93398 -3.487389 
16.53953 
1 1 1 -26 -15 2  o 29.78511 8.002389  205.4281       139.9252 143.7506       
220.8961 246.7611       180.8311 28.13170 11.59057 31.43851 11.03683 -3.306807 
16.00478 
1 1 1 -26 -15 3  o 20.64255 6.724845  -89.60762      127.1962 26.61234       
216.1791 -151.1470      157.3076 24.32874 10.75331 16.95636 8.078402 7.372381 
13.44969 
1 1 1 -26 -15 4  o 32.77972 7.729077  214.8963       133.1380 509.1946       
224.1613 54.49547       165.4894 42.75615 12.00054 22.80330 9.743793 19.95284 
15.45815 
1 1 1 -26 -15 5  o 31.25537 7.105017  261.5941       117.8739 95.36823       
192.8044 360.8063       148.9533 25.04371 10.60204 37.46703 9.461596 -12.42332 
14.21003 
1 1 1 -26 -15 6  o 27.88663 7.615084  150.5806       118.2938 315.6128       
218.9889 82.58351       140.5668 33.30344 12.09949 22.46982 9.249888 10.83362 
15.23017 
1 1 1 -26 -15 7  o 22.92504 6.845751  75.33351       116.8988 -72.62046      
212.8560 139.2301       139.8819 21.10556 9.837712 24.74452 9.522429 -3.638960 
13.69150 
1 1 1 -26 -15 8  o 27.47391 7.174312  156.4637       106.5681 332.1254       
188.9783 74.55590       129.0434 33.63052 11.31157 21.31730 8.827875 12.31322 
14.34862 
1 1 1 -26 -15 9  o 21.20246 6.824933  -16.17935      131.4855 85.83064       
206.6322 -85.58906      170.4460 24.03545 10.58073 18.36946 8.623634 5.665993 
13.64987 
1 1 1 -26 -15 10 o 29.55892 7.668561  241.6060       121.2583 380.7659       
205.1145 166.8428       150.3430 33.95160 11.77017 25.16624 9.833130 8.785362 
15.33712 
1 1 1 -26 -15 11 o 30.15386 7.550312  258.3269       118.7128 151.1102       
146.7312 461.4889       201.9819 23.78611 9.573720 36.52161 11.67787 -12.73550 
15.10062 
1 1 1 -26 -15 12 o 25.74303 7.383710  168.1974       139.6506 383.2441       
201.4828 -30.63139      193.7364 32.10336 11.61147 19.38270 9.124172 12.72066 
14.76742 
1 1 1 -26 -14 1  o 24.41661 7.308061  49.47136       134.6539 -64.59209      
205.1965 135.7385       178.4512 21.95788 10.00810 26.87533 10.65218 -4.917444 
14.61612 
1 1 1 -26 -14 2  o 55.16891 6.348171  711.6727       145.5881 784.3448       
225.5498 659.7686       190.6162 57.26635 9.381322 53.07149 8.554992 4.194859 
12.69634 
1 1 1 -26 -14 3  o 22.21778 6.961246  -6.637768      127.9238 52.93384       
195.8781 -50.94209      168.9232 24.35857 10.50921 20.07700 9.131933 4.281567 
13.92249 
1 1 1 -26 -14 4  o 28.36119 7.673852  183.3672       128.1741 149.5193       
198.8269 207.4360       167.6627 27.46823 11.10769 29.25415 10.59109 -1.785919 
15.34770 
1 1 1 -26 -14 5  o 34.17323 7.265791  206.0065       126.4344 606.9744       
221.9689 13.43260       153.8282 47.48963 11.28459 20.85684 9.155599 26.63279 
14.53158 
1 1 1 -26 -14 6  o 23.41823 6.995712  76.45359       118.4615 -64.29138      
226.7532 129.2863       138.9276 22.24784 10.28641 24.58861 9.484183 -2.340767 
13.99142 
1 1 1 -26 -14 7  o 24.08757 7.192801  94.44894       121.0259 31.36622       
222.6380 120.9088       144.1909 23.99136 10.73311 24.18377 9.578406 
-0.1924152     14.38560 
1 1 1 -26 -14 8  o 21.41676 6.682525  28.97083       115.5805 25.46961       
185.3452 31.19871       147.8490 22.16316 9.857291 20.67036 9.025429 1.492800 
13.36505 
1 1 1 -26 -14 9  f 21.12841 6.723351  7.091063       125.2287 27.79475       
182.3907 -11.37328      172.2447 21.87115 9.751431 20.38567 9.258692 1.485476 
13.44670 
1 1 1 -26 -14 10 o 39.66711 7.913497  451.0459       135.5007 608.0370       
220.6484 355.9956       171.6879 44.67720 11.64587 34.65701 10.71763 10.02018 
15.82699 
1 1 1 -26 -14 11 o 44.26415 7.704900  564.1651       137.8903 739.1040       
233.1227 470.0238       171.0138 48.52357 11.58654 40.00474 10.15943 8.518833 
15.40980 
1 1 1 -26 -14 12 o 27.90895 7.437260  253.4103       118.7019 250.0881       
163.7819 257.0862       172.2801 27.84513 10.41129 27.97277 10.62339 
-0.1276417     14.87452 
1 1 1 -26 -13 1  o 27.05833 7.926212  109.7561       146.2485 85.56676       
230.1095 126.1486       189.4285 27.12287 11.53645 26.99380 10.87243 0.1290722 
15.85242 
1 1 1 -26 -13 2  o 22.68538 6.998028  14.41426       126.9400 -51.03596      
194.0886 63.33889       167.8063 21.66758 9.837539 23.70318 9.955522 -2.035601 
13.99606 
1 1 1 -26 -13 3  o 27.13010 7.568569  134.5648       124.5462 206.1706       
202.4995 90.99697       157.9548 30.08201 11.49026 24.17819 9.854286 5.903820 
15.13714 
1 1 1 -26 -13 4  o 20.91521 6.633466  -23.11279      117.3757 8.360307       
189.0093 -42.86939      149.7509 22.72752 10.04902 19.10289 8.661906 3.624626 
13.26693 
1 1 1 -26 -13 5  o 24.23846 6.922917  103.9167       108.8486 34.05470       
187.5031 139.4270       133.6797 23.23591 10.15464 25.24101 9.412253 -2.005096 
13.84583 
1 1 1 -26 -13 6  o 25.27827 6.750703  122.1111       112.9414 -85.54347      
189.5582 236.3987       140.6278 20.12815 9.344043 30.42838 9.745605 -10.30023 
13.50141 
1 1 1 -26 -13 7  o 32.93498 7.678145  295.4226       123.3887 277.0980       
187.3286 309.4652       163.9874 31.95614 11.23193 33.91383 10.47183 -1.957684 
15.35629 
1 1 1 -26 -13 8  f 37.86332 7.495936  406.0432       126.2263 326.5936       
200.3802 458.3108       162.5268 33.73968 11.63961 41.98697 9.448582 -8.247288 
14.99187 
1 1 1 -26 -13 9  o 36.37646 7.842842  379.2529       130.5729 421.9569       
191.2876 341.9954       178.6732 38.21205 11.20450 34.54087 10.97725 3.671177 
15.68568 
1 1 1 -26 -13 10 o 22.98481 7.130395  58.76762       127.6825 120.9490       
210.8670 22.77127       160.4381 25.26707 10.90257 20.70255 9.192613 4.564524 
14.26079 
1 1 1 -26 -13 11 o 42.89334 6.783001  352.7262       129.4179 1081.665       
256.9978 105.0736       149.7978 63.03329 9.711371 22.75340 9.472365 40.27988 
13.56600 
1 1 1 -26 -13 12 o 23.67267 7.239614  105.9823       122.0071 232.6923       
221.7435 50.96706       146.1125 27.16106 11.42772 20.18428 8.891307 6.976780 
14.47923 
1 1 1 -26 -13 13 o 45.27646 6.873371  601.8461       125.2710 650.2884       
194.8092 567.6920       163.5757 45.90656 10.35410 44.64635 9.042425 1.260208 
13.74674 
1 1 1 -26 -12 1  o 78.21800 5.521498  1343.264       172.6650 1545.620       
300.4746 1243.500       210.9773 81.70415 8.759609 74.73186 6.724360 6.972298 
11.04300 
1 1 1 -26 -12 2  o 28.34328 7.536400  132.8516       125.2870 301.3698       
201.7746 27.11170       159.8315 34.56956 11.68827 22.11700 9.517023 12.45256 
15.07280 
1 1 1 -26 -12 3  o 44.63107 7.135336  496.5841       125.6489 473.2517       
223.2801 507.3972       152.0009 42.17970 12.02169 47.08244 7.689680 -4.902740 
14.27067 
1 1 1 -26 -12 4  o 45.35329 7.179390  548.2363       129.8327 407.9838       
227.6055 615.8850       158.0729 38.72714 12.39785 51.97943 7.243474 -13.25229 
14.35878 
1 1 1 -26 -12 5  o 33.72060 7.493066  204.2896       121.4013 550.4989       
225.2719 62.58874       144.1199 45.16571 11.76448 22.27549 9.283380 22.89023 
14.98613 
1 1 1 -26 -12 6  o 30.74653 8.045329  217.9261       131.8598 326.5813       
228.8488 163.9258       161.3324 34.49469 12.38494 26.99837 10.27242 7.496311 
16.09066 
1 1 1 -26 -12 7  o 31.62531 7.963061  263.3083       130.4048 262.9569       
219.7519 263.4994       162.0149 31.58946 11.99774 31.66114 10.47356 
-0.7168007E-01 15.92612 
1 1 1 -26 -12 8  o 34.22253 7.785725  268.3344       138.4142 562.4529       
224.3728 87.64065       175.8655 44.44865 11.81696 23.99641 10.14049 20.45225 
15.57145 
1 1 1 -26 -12 9  o 25.27676 7.427916  126.2018       128.4980 67.91761       
223.4587 154.9963       157.0642 24.73519 10.93292 25.81832 10.05818 -1.083136 
14.85583 
1 1 1 -26 -12 10 o 30.17228 7.320868  262.7119       119.7973 123.8461       
216.7588 323.7823       143.7458 25.72820 11.07711 34.61637 9.574870 -8.888172 
14.64174 
1 1 1 -26 -12 11 o 24.36183 7.233771  96.93971       112.9645 231.6811       
217.1353 46.93699       132.2747 28.61701 11.59317 20.10664 8.654950 8.510365 
14.46754 
1 1 1 -26 -12 12 f 35.13299 7.481966  378.7565       117.0877 366.1275       
213.5640 384.1841       140.0049 32.86248 11.94776 37.40351 9.009460 -4.541031 
14.96393 
1 1 1 -26 -12 13 o 30.92433 7.751857  318.7719       127.5285 252.3148       
173.7787 396.3312       187.7337 27.84843 10.64219 34.00023 11.27426 -6.151796 
15.50371 
1 1 1 -26 -12 14 o 40.71041 7.618468  538.8739       132.2110 527.8239       
183.9044 550.6938       190.2040 40.40216 10.67882 41.01866 10.86862 
-0.6165009     15.23694 
1 1 1 -26 -11 1  o 25.72498 7.535871  81.37299       128.6894 128.9022       
214.5724 54.67281       160.8238 28.15694 11.48221 23.29301 9.763000 4.863924 
15.07174 
1 1 1 -26 -11 2  o 36.15722 7.785315  321.9658       126.3597 370.9288       
202.9323 290.9609       161.4852 38.01907 11.63083 34.29538 10.35221 3.723694 
15.57063 
1 1 1 -26 -11 3  o 23.61114 7.086834  53.64139       121.5585 -3.729896      
201.4752 86.47966       152.4279 23.31046 10.33218 23.91181 9.702520 
-0.6013527     14.17367 
1 1 1 -26 -11 4  o 55.96758 6.003238  631.8990       127.9023 1100.991       
240.9307 447.8227       150.9253 68.75964 8.346024 43.17553 8.631301 25.58411 
12.00648 
1 1 1 -26 -11 5  f 33.20279 7.676701  259.5383       128.1749 420.1946       
197.6010 142.8407       168.4113 39.85037 11.29380 26.55521 10.40081 13.29515 
15.35340 
1 1 1 -26 -11 6  o 26.67598 7.291656  147.2773       122.7862 18.01618       
203.5571 221.2103       153.9470 23.53149 10.41346 29.82048 10.20945 -6.288992 
14.58331 
1 1 1 -26 -11 7  o 22.37836 6.617760  9.204217       121.0795 -232.3289      
189.8539 174.7901       157.1965 17.41967 8.429442 27.33706 10.20409 -9.917393 
13.23552 
1 1 1 -26 -11 8  o 32.58889 7.350689  291.8997       120.0757 174.4190       
195.0112 363.6393       152.3896 27.77411 11.09540 37.40368 9.644820 -9.629578 
14.70138 
1 1 1 -26 -11 9  o 22.74255 7.044852  -6.077714      115.5006 197.3638       
223.7250 -80.00324      134.8628 28.72781 11.72136 16.75729 7.818539 11.97052 
14.08970 
1 1 1 -26 -11 10 o 30.63670 7.552709  143.2426       122.1815 540.3240       
234.1196 -5.383356      143.2338 42.05508 12.41616 19.21833 8.603062 22.83675 
15.10542 
1 1 1 -26 -11 11 o 20.23048 6.688374  -62.74226      135.7801 -45.20789      
223.0211 -73.06960      171.1571 21.68248 10.09240 18.77847 8.779568 2.904007 
13.37675 
1 1 1 -26 -11 12 o 22.98373 7.034862  85.01721       123.8402 128.4228       
188.3639 51.97180       164.3540 24.52586 10.43493 21.44161 9.437655 3.084253 
14.06972 
1 1 1 -26 -11 13 o 36.13344 7.629927  393.4388       124.0309 546.7179       
199.6320 297.0732       158.2886 41.39228 11.21118 30.87460 10.35242 10.51768 
15.25985 
1 1 1 -26 -11 14 o 25.41605 6.882150  170.3021       118.9247 -14.71368      
173.6278 333.8095       163.2238 19.06129 8.884928 31.77081 10.51256 -12.70951 
13.76430 
1 1 1 -26 -10 1  o 51.26498 6.443104  571.4533       131.1978 807.5997       
225.5141 450.6356       161.3052 59.05503 9.095734 43.47493 9.128088 15.58011 
12.88621 
1 1 1 -26 -10 2  o 25.56884 7.210496  91.43839       129.3973 -190.0914      
245.7299 199.4561       152.2100 21.75239 10.25023 29.38530 10.14386 -7.632915 
14.42099 
1 1 1 -26 -10 3  o 53.14734 6.825639  692.8118       135.8892 637.7930       
242.1658 718.0983       164.1728 49.68229 11.77481 56.61239 6.907341 -6.930103 
13.65128 
1 1 1 -26 -10 4  o 46.47717 7.175518  517.0662       132.9176 642.5688       
219.0585 443.9363       167.2173 50.50215 10.66261 42.45220 9.605254 8.049946 
14.35104 
1 1 1 -26 -10 5  o 58.01429 6.119202  810.0643       136.4979 752.5562       
228.0573 842.1650       170.3872 54.83627 10.28551 61.19231 6.632254 -6.356041 
12.23840 
1 1 1 -26 -10 6  o 41.68794 7.519791  425.3721       128.7669 576.6724       
215.8719 341.8038       160.4341 46.86009 11.12440 36.51579 10.12111 10.34430 
15.03958 
1 1 1 -26 -10 7  o 40.65256 7.639664  428.0471       124.9774 464.2431       
230.6015 412.9941       148.7114 40.51109 12.39948 40.79403 8.928082 
-0.2829399     15.27933 
1 1 1 -26 -10 8  o 34.45332 7.003887  328.5679       110.1388 215.1029       
194.3123 382.2772       133.6885 29.48911 11.25797 39.41753 8.335217 -9.928429 
14.00777 
1 1 1 -26 -10 9  o 48.24661 7.026845  619.1160       134.7772 536.3895       
220.5240 668.4405       170.2805 43.39008 11.79707 53.10315 7.637753 -9.713070 
14.05369 
1 1 1 -26 -10 10 o 25.24952 6.663122  71.79275       116.3242 -155.0782      
161.6140 315.6695       167.5616 16.79770 8.048016 33.70135 10.62159 -16.90365 
13.32624 
1 1 1 -26 -10 11 o 44.90796 7.441213  575.1797       145.1968 398.3799       
212.1618 730.9351       199.1352 36.05422 11.98534 53.76170 8.822592 -17.70748 
14.88243 
1 1 1 -26 -10 12 o 41.66809 7.315782  467.1001       125.6229 641.7684       
205.6109 363.0619       158.6848 47.58234 10.57029 35.75384 10.11690 11.82850 
14.63156 
1 1 1 -26 -10 13 o 22.27350 6.716626  82.70496       117.1793 -45.03313      
188.3937 163.3058       149.6498 19.65894 9.198929 24.88806 9.789381 -5.229120 
13.43325 
1 1 1 -26 -10 14 o 23.88629 7.208040  138.9944       123.6027 209.9786       
203.9092 97.76202       155.4088 26.00624 10.95098 21.76633 9.375474 4.239902 
14.41608 
1 1 1 -26 -10 15 o 33.44717 7.688972  375.7330       129.0625 525.5164       
192.6314 253.7285       173.8534 39.47902 11.13880 27.41531 10.60228 12.06371 
15.37794 
1 1 1 -26 -9  1  o 50.59980 7.138803  573.5492       136.6170 753.5998       
252.7476 499.2299       162.3829 55.09542 11.31538 46.10418 8.707017 8.991245 
14.27761 
1 1 1 -26 -9  2  o 69.60248 5.633794  1146.245       155.6104 892.1871       
243.6591 1321.238       202.2213 61.77614 9.394700 77.42882 6.220786 -15.65268 
11.26759 
1 1 1 -26 -9  3  o 32.62729 7.899181  256.0751       127.6296 268.1424       
209.4790 248.9511       160.9531 33.24788 11.85798 32.00671 10.43918 1.241165 
15.79836 
1 1 1 -26 -9  4  o 37.67363 7.940932  351.9482       132.1882 434.7761       
214.8924 301.5280       167.6621 40.70541 11.85656 34.64185 10.56672 6.063564 
15.88186 
1 1 1 -26 -9  5  o 23.19057 6.980714  -7.824269      121.3319 175.8974       
198.0370 -118.2304      153.5192 28.84558 11.28253 17.53556 8.223499 11.31001 
13.96143 
1 1 1 -26 -9  6  o 66.52768 5.404723  984.5943       143.1984 1141.393       
251.3408 909.2357       174.2442 69.49825 8.614105 63.55710 6.530031 5.941154 
10.80945 
1 1 1 -26 -9  7  o 41.64876 7.505535  433.8423       128.1340 547.5599       
213.3755 369.7063       160.2440 45.32602 11.25115 37.97150 9.936988 7.354511 
15.01107 
1 1 1 -26 -9  8  o 48.92784 6.668275  613.2646       127.5061 537.4061       
210.6476 657.1313       160.1848 44.54171 11.25379 53.31397 7.156511 -8.772255 
13.33655 
1 1 1 -26 -9  9  o 26.00801 7.424580  139.7686       124.4456 119.6610       
196.4772 153.2394       160.8161 25.84232 10.80900 26.17369 10.18151 
-0.3313732     14.84916 
1 1 1 -26 -9  10 o 28.26773 7.396016  199.0499       122.6797 281.0363       
165.1152 98.01394       183.2963 32.07913 10.57329 24.45633 10.34455 7.622795 
14.79203 
1 1 1 -26 -9  11 o 31.46232 7.572417  277.8682       120.0767 259.0826       
176.2099 294.1540       164.0678 30.49427 10.87569 32.43037 10.53971 -1.936106 
15.14483 
1 1 1 -26 -9  12 o 56.97888 6.745646  884.3718       146.6294 730.4959       
237.9635 978.5563       186.1721 49.82788 11.58454 64.12988 6.914730 -14.30199 
13.49129 
1 1 1 -26 -9  13 o 48.64919 7.230191  642.7047       132.7799 732.3615       
249.0405 607.0959       156.9483 47.81149 12.33033 49.48689 7.554184 -1.675404 
14.46038 
1 1 1 -26 -9  14 o 21.00870 6.737369  28.65197       124.8480 109.2498       
202.9873 -20.38922      158.3389 23.38256 10.36666 18.63484 8.608192 4.747723 
13.47474 
1 1 1 -26 -9  15 o 23.30943 6.253432  0.3203163      120.3799 -417.0088      
176.2795 365.0069       164.7868 13.35276 6.734336 33.26611 10.53899 -19.91336 
12.50686 
1 1 1 -26 -8  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -26 -8  2  o 19.44503 6.373186  -114.9637      125.8341 -273.4618      
212.5719 -29.46203      156.1281 18.62758 8.997584 20.26247 9.028481 -1.634893 
12.74637 
1 1 1 -26 -8  3  o 45.89337 7.101634  524.1218       131.2867 455.4658       
216.8981 563.8208       164.9323 41.99905 11.80986 49.78770 7.890504 -7.788654 
14.20327 
1 1 1 -26 -8  4  o 28.08339 7.481763  168.8960       122.1798 86.79889       
204.6752 214.3468       152.2903 26.15580 10.99072 30.01098 10.15437 -3.855177 
14.96353 
1 1 1 -26 -8  5  o 42.86607 7.375785  445.9864       129.2663 570.4287       
209.6926 369.7093       164.1709 47.36503 10.78343 38.36710 10.06611 8.997929 
14.75157 
1 1 1 -26 -8  6  o 35.13181 7.400680  304.5983       115.1794 381.3569       
185.9957 256.8538       146.6903 38.22349 10.99745 32.04013 9.906375 6.183361 
14.80136 
1 1 1 -26 -8  7  o 53.90732 5.702475  647.1315       125.7431 851.2059       
208.0187 529.6287       157.8456 60.15282 8.236971 47.66182 7.888294 12.49100 
11.40495 
1 1 1 -26 -8  8  o 37.28810 6.810380  304.3091       118.5399 636.8880       
194.9086 109.0812       149.3327 50.35133 9.565867 24.22488 9.696354 26.12645 
13.62076 
1 1 1 -26 -8  9  o 41.68879 6.886817  433.4365       120.0772 627.4776       
186.0835 294.9906       157.1814 49.99674 9.210498 33.38084 10.24108 16.61589 
13.77363 
1 1 1 -26 -8  10 o 24.99891 7.145065  118.8396       118.2471 58.68226       
164.7265 182.7930       169.8443 22.54085 9.679341 27.45698 10.51276 -4.916126 
14.29013 
1 1 1 -26 -8  11 o 20.17714 6.409945  -8.886145      114.1093 29.92550       
160.4381 -48.61774      162.3284 21.23024 9.334680 19.12404 8.787112 2.106195 
12.81989 
1 1 1 -26 -8  12 o 23.64619 6.997184  101.7358       119.1666 8.117839       
199.8872 153.3560       148.4279 22.04009 9.999865 25.25229 9.790049 -3.212196 
13.99437 
1 1 1 -26 -8  13 o 29.62830 7.615067  228.4071       123.6383 392.8552       
200.6238 127.7071       156.9939 35.29988 11.65489 23.95673 9.804111 11.34315 
15.23013 
1 1 1 -26 -8  14 o 29.30341 7.423984  249.6854       118.0212 370.7803       
181.3592 160.7329       155.4375 33.95051 11.08120 24.65631 9.882771 9.294193 
14.84797 
1 1 1 -26 -8  15 o 28.37858 7.272800  264.6919       117.0911 182.6841       
182.2469 322.3404       152.8011 24.91189 10.41439 31.84527 10.15456 -6.933386 
14.54560 
1 1 1 -26 -7  1  o 30.99941 7.825059  191.8762       122.8284 315.3300       
217.0068 133.6817       148.9918 35.80486 12.12142 26.19396 9.899361 9.610897 
15.65012 
1 1 1 -26 -7  2  o 24.98249 7.389314  26.84049       131.8740 183.3354       
210.9356 -73.57496      168.9663 30.07749 11.66875 19.88749 9.069075 10.19000 
14.77863 
1 1 1 -26 -7  3  o 33.78258 11.94248  277.4876       212.0546 277.4876       
212.0546 0.000000       0.000000 33.78258 11.94248 ?        ?        ? ? 
1 1 1 -26 -7  4  o 23.20379 7.130821  8.397883       126.0408 92.94488       
205.8664 -42.29665      159.4105 26.43742 11.06149 19.97016 9.002103 6.467257 
14.26164 
1 1 1 -26 -7  5  o 40.86959 7.112550  433.4739       123.0238 318.0327       
190.9323 515.4232       160.8689 35.22168 11.36321 46.51751 8.557502 -11.29583 
14.22510 
1 1 1 -26 -7  6  o 48.99213 6.172600  548.3590       121.9278 696.1641       
199.4484 460.1599       154.0699 54.32201 8.745324 43.66226 8.713397 10.65974 
12.34520 
1 1 1 -26 -7  7  o 33.14775 7.131455  245.4620       115.4218 452.4985       
183.3424 109.5392       148.5544 41.87482 10.45060 24.42068 9.706471 17.45414 
14.26291 
1 1 1 -26 -7  8  o 26.09446 7.395661  134.1911       118.4284 116.4470       
211.6203 142.2822       142.9009 26.60837 11.17802 25.58054 9.686856 1.027828 
14.79132 
1 1 1 -26 -7  9  o 27.35677 7.211130  152.7696       116.8181 285.7219       
175.4787 46.95498       156.5486 32.69913 10.90006 22.01440 9.444057 10.68473 
14.42226 
1 1 1 -26 -7  10 o 24.73337 7.174470  110.6606       119.4425 72.81380       
164.0158 153.3956       174.2860 23.05770 9.770774 26.40904 10.50829 -3.351337 
14.34894 
1 1 1 -26 -7  11 o 33.51973 7.708249  312.8656       123.7297 287.3979       
166.5879 344.2006       184.7837 32.26782 10.62034 34.77165 11.17482 -2.503830 
15.41650 
1 1 1 -26 -7  12 o 37.17243 7.462059  401.1354       123.2104 337.2050       
203.2885 438.2553       154.9039 33.54124 11.70903 40.80363 9.253536 -7.262390 
14.92412 
1 1 1 -26 -7  13 o 26.16265 7.541953  163.0533       121.7921 188.9625       
231.6941 153.1606       143.1677 27.41570 11.61501 24.90960 9.623712 2.506102 
15.08391 
1 1 1 -26 -7  14 o 24.20831 7.144278  130.2493       119.3045 189.2773       
187.5021 90.09453       154.6485 26.27755 10.72759 22.13908 9.438305 4.138472 
14.28856 
1 1 1 -26 -7  15 o 27.24820 7.363616  235.4721       118.4625 209.0838       
178.7970 256.1198       158.1576 26.08455 10.53945 28.41185 10.28646 -2.327303 
14.72723 
1 1 1 -26 -7  16 o 17.14080 5.762217  -96.12295      118.3912 -281.7731      
198.7440 5.991829       147.3977 15.80689 7.846921 18.47471 8.440286 -2.667821 
11.52443 
1 1 1 -26 -6  1  o 36.10777 7.497749  318.8004       119.7727 320.0962       
188.4550 317.9223       155.1341 36.01444 11.24725 36.20111 9.917884 
-0.1866684     14.99550 
1 1 1 -26 -6  2  o 45.80283 6.871021  491.9787       125.5765 580.7626       
203.3998 437.2927       159.6327 48.81244 10.25121 42.79322 9.151850 6.019222 
13.74204 
1 1 1 -26 -6  3  o 33.96762 7.845893  245.7320       129.1278 436.8752       
217.2603 141.3322       160.5649 41.16853 11.89926 26.76671 10.22936 14.40181 
15.69179 
1 1 1 -26 -6  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -26 -6  5  o 30.92227 7.257977  194.6776       115.1626 380.6424       
186.1848 79.44058       146.5632 38.51659 10.97775 23.32795 9.497468 15.18864 
14.51595 
1 1 1 -26 -6  6  o 54.12453 6.429021  702.8308       132.3501 699.9558       
230.8111 704.2392       161.5470 52.41176 10.85544 55.83731 6.891210 -3.425556 
12.85804 
1 1 1 -26 -6  7  o 46.44088 6.478379  482.9345       121.7710 787.7604       
202.7325 310.8896       152.3065 57.89782 8.340310 34.98394 9.915483 22.91388 
12.95676 
1 1 1 -26 -6  8  o 31.76560 7.119759  265.2159       114.8068 133.7268       
185.2679 347.1844       146.2779 26.44683 10.71089 37.08437 9.383007 -10.63754 
14.23952 
1 1 1 -26 -6  9  o 34.59600 7.560778  319.3983       120.2333 317.3879       
184.7651 320.8749       158.3467 34.23728 11.18476 34.95472 10.17657 
-0.7174377     15.12156 
1 1 1 -26 -6  10 o 24.92018 7.161848  118.4759       117.7413 89.70292       
166.0005 147.6059       167.0269 23.78312 9.940727 26.05724 10.31262 -2.274122 
14.32370 
1 1 1 -26 -6  11 o 27.59930 7.409871  184.6724       120.2001 130.7420       
166.7760 242.9680       173.3943 25.11990 10.16690 30.07870 10.78234 -4.958794 
14.81974 
1 1 1 -26 -6  12 o 21.50231 6.647385  30.54709       118.9375 -109.4952      
202.1788 104.6603       147.0801 19.73971 9.300586 23.26492 9.500001 -3.525206 
13.29477 
1 1 1 -26 -6  13 o 24.12004 7.190994  86.80940       120.4204 217.7760       
203.8653 16.62633       149.2380 28.27150 11.32379 19.96858 8.866418 8.302925 
14.38199 
1 1 1 -26 -6  14 o 30.12880 7.503181  274.8922       119.1466 235.4025       
189.7793 300.5835       153.0736 28.23789 11.04481 32.01971 10.15889 -3.781816 
15.00636 
1 1 1 -26 -6  15 o 26.09463 6.890306  190.2880       123.1569 -62.22245      
209.2420 324.1354       152.3400 19.75166 9.365867 32.43759 10.10870 -12.68593 
13.78061 
1 1 1 -26 -6  16 o 28.56787 7.426486  273.3843       122.7152 182.5595       
179.6874 352.7719       167.9933 24.71805 10.33767 32.41770 10.66505 -7.699652 
14.85297 
1 1 1 -26 -5  1  o 27.09866 7.193605  98.65208       117.4531 277.1465       
186.3219 -19.04838      151.3006 33.86241 11.23179 20.33490 8.991037 13.52751 
14.38721 
1 1 1 -26 -5  2  o 29.83856 7.688477  198.9518       124.1108 145.0020       
211.7507 227.1841       153.1804 28.69569 11.52114 30.98142 10.18400 -2.285728 
15.37695 
1 1 1 -26 -5  3  o 27.90748 7.686740  129.1868       124.6996 238.8277       
214.8120 73.45997       153.1454 32.21776 11.94775 23.59720 9.674461 8.620565 
15.37348 
1 1 1 -26 -5  4  o 26.72481 7.395710  136.6808       119.3314 78.02578       
207.0337 165.8617       146.0287 26.02348 11.00003 27.42614 9.888648 -1.402662 
14.79142 
1 1 1 -26 -5  5  o 33.52879 9.994890  278.9722       151.1648 0.000000       
0.000000 278.9722       151.1648 ?        ?        33.52879 9.994890 ? ? 
1 1 1 -26 -5  6  o 24.11693 10.34955  51.77426       188.1191 51.77426       
188.1191 0.000000       0.000000 24.11693 10.34955 ?        ?        ? ? 
1 1 1 -26 -5  7  f 36.27280 7.533172  333.0506       119.6495 384.1085       
193.7873 301.5952       152.1042 38.07458 11.30979 34.47101 9.954058 3.603573 
15.06634 
1 1 1 -26 -5  8  o 59.28690 5.411798  770.7395       127.3525 967.7675       
228.2296 681.6532       153.4663 63.78201 8.523046 54.79179 6.671427 8.990223 
10.82360 
1 1 1 -26 -5  9  o 30.12586 7.545063  230.5049       119.0877 237.4783       
179.7924 225.0542       158.9567 30.46934 10.97378 29.78238 10.35800 0.6869583 
15.09013 
1 1 1 -26 -5  10 o 21.72072 6.663857  16.09738       117.0730 112.6395       
165.4500 -80.71648      165.6828 24.65320 10.07283 18.78823 8.727311 5.864969 
13.32771 
1 1 1 -26 -5  11 o 43.62565 7.107550  505.3524       127.5887 505.9633       
180.4146 504.7413       180.4607 43.65868 10.04537 43.59261 10.05782 
0.6607437E-01  14.21510 
1 1 1 -26 -5  12 o 19.35039 6.338135  -54.25208      115.5385 -36.35421      
200.0377 -63.21188      141.5338 21.19890 9.746353 17.50188 8.105332 3.697020 
12.67627 
1 1 1 -26 -5  13 o 24.68026 7.013388  135.7694       117.9554 -51.66586      
231.2082 201.7186       137.1457 21.85274 10.21194 27.50778 9.615962 -5.655039 
14.02678 
1 1 1 -26 -5  14 o 31.85779 7.344037  308.9622       119.0971 209.1331       
191.5258 371.9004       152.0744 27.39683 10.97479 36.31875 9.761845 -8.921923 
14.68807 
1 1 1 -26 -5  15 o 19.00644 6.192372  -70.45771      116.8816 114.8683       
178.8330 -208.6568      154.4301 23.18722 10.02316 14.82566 7.274487 8.361559 
12.38474 
1 1 1 -26 -5  16 o 25.46540 7.135202  196.1336       119.2365 105.4540       
179.9642 267.0878       159.1918 22.34793 9.853098 28.58288 10.32283 -6.234947 
14.27040 
1 1 1 -26 -4  1  o 58.01141 5.443222  762.3527       130.9330 718.4231       
197.2524 796.9543       175.0620 56.15281 8.367040 59.87002 6.964717 -3.717209 
10.88644 
1 1 1 -26 -4  2  o 42.42553 7.112157  491.2241       131.0924 231.7462       
228.1329 619.1433       160.1790 32.27385 12.23413 52.57720 7.256532 -20.30335 
14.22431 
1 1 1 -26 -4  3  o 37.62560 7.439704  349.7559       120.8510 374.2984       
187.5357 332.3258       158.0424 38.50866 11.03096 36.74254 9.985726 1.766121 
14.87941 
1 1 1 -26 -4  4  o 31.08091 7.803288  221.9961       121.0129 244.0257       
219.4639 212.3720       145.0578 32.29110 12.05616 29.87072 9.910315 2.420387 
15.60658 
1 1 1 -26 -4  5  o 48.20046 5.986345  524.1882       115.5132 768.2344       
182.0931 359.8459       149.4281 58.12091 7.462464 38.28001 9.362529 19.84090 
11.97269 
1 1 1 -26 -4  6  o 71.60371 4.708597  1155.486       137.3885 1137.332       
220.8220 1166.952       175.4903 70.54289 7.456072 72.66454 5.752436 -2.121643 
9.417193 
1 1 1 -26 -4  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -26 -4  8  o 28.97504 7.447078  199.6565       114.5237 217.3808       
188.1451 189.2241       144.3451 29.91736 11.16422 28.03272 9.858806 1.884638 
14.89416 
1 1 1 -26 -4  9  o 19.89163 6.391420  -40.94279      116.9603 -97.29322      
180.2977 0.2309683E-03  153.6850 19.37888 9.041097 20.40438 9.036568 -1.025497 
12.78284 
1 1 1 -26 -4  10 o 70.05235 5.391698  1155.666       158.0755 1177.962       
233.5262 1136.809       214.7565 70.39036 7.902118 69.71434 7.337451 0.6760178 
10.78340 
1 1 1 -26 -4  11 o 20.62489 6.537952  -7.112325      117.9215 -39.34708      
168.4507 23.86452       165.1312 19.82729 9.045280 21.42249 9.442572 -1.595205 
13.07590 
1 1 1 -26 -4  12 o 43.51702 7.150318  548.0050       126.3568 401.2452       
227.7485 613.2684       151.8752 36.09043 12.41307 50.94361 7.100978 -14.85318 
14.30064 
1 1 1 -26 -4  13 o 30.19067 7.742944  253.5078       122.9204 287.8676       
206.7115 234.7115       152.8886 31.17558 11.68854 29.20576 10.15828 1.969822 
15.48589 
1 1 1 -26 -4  14 o 21.41183 6.571948  38.47669       118.9389 -148.5792      
199.6778 141.3416       148.0737 18.51873 8.890207 24.30494 9.681230 -5.786217 
13.14390 
1 1 1 -26 -4  15 o 20.19513 6.479465  16.73164       117.6117 43.28669       
182.3613 -2.179979      153.8946 21.33644 9.622605 19.05381 8.679822 2.282627 
12.95893 
1 1 1 -26 -4  16 o 46.92632 7.356193  674.9532       140.9486 695.4301       
206.0745 656.9532       193.2097 47.24565 10.64452 46.60698 10.15621 0.6386757 
14.71239 
1 1 1 -26 -3  1  o 43.04684 6.875069  456.2693       120.6722 394.7119       
185.1390 501.7372       159.1148 39.81415 10.80229 46.27953 8.507455 -6.465385 
13.75014 
1 1 1 -26 -3  2  o 23.82265 7.270599  34.33820       126.1391 36.48567       
219.8883 33.28492       153.9971 25.50069 11.06993 22.14461 9.428846 3.356085 
14.54120 
1 1 1 -26 -3  3  o 29.28644 7.627863  185.6771       115.4467 192.0731       
218.7434 183.2077       135.9178 30.37196 11.86218 28.20092 9.593014 2.171038 
15.25573 
1 1 1 -26 -3  4  o 20.59509 6.552288  -36.26403      118.1000 -153.3735      
207.8089 19.60365       143.5319 20.26072 9.513396 20.92947 9.012501 
-0.6687584     13.10458 
1 1 1 -26 -3  5  o 18.89026 6.098063  -61.87985      107.6200 -93.86381      
162.4383 -36.85708      143.6779 18.74961 8.683221 19.03092 8.564298 
-0.2813187     12.19613 
1 1 1 -26 -3  6  o 26.59987 7.101929  150.6030       108.9738 123.9170       
161.2665 173.0283       147.8327 25.64417 10.13826 27.55556 9.948132 -1.911388 
14.20386 
1 1 1 -26 -3  7  o 24.14339 6.750814  105.7543       104.1442 -8.650875      
188.2550 156.2074       125.0165 22.21482 9.905746 26.07195 9.174430 -3.857124 
13.50163 
1 1 1 -26 -3  8  o 18.88140 8.558124  -39.30141      146.0432 0.000000       
0.000000 -39.30141      146.0432 ?        ?        18.88140 8.558124 ? ? 
1 1 1 -26 -3  9  o 82.37717 5.266784  1514.907       169.5103 1769.498       
308.9008 1405.209       202.7673 85.79917 8.575451 78.95516 6.117000 6.844009 
10.53357 
1 1 1 -26 -3  10 o 23.23861 7.032817  59.19818       123.6021 110.0339       
175.0223 8.620225       174.5780 24.89151 10.29286 21.58571 9.586405 3.305796 
14.06563 
1 1 1 -26 -3  11 o 20.43488 6.503151  -21.51569      118.0123 47.26354       
172.0016 -82.69226      162.2170 22.44627 9.768006 18.42349 8.587779 4.022778 
13.00630 
1 1 1 -26 -3  12 o 21.79563 6.673810  44.45910       115.9553 -96.14281      
206.0635 109.6109       140.2713 20.24645 9.500669 23.34480 9.375301 -3.098347 
13.34762 
1 1 1 -26 -3  13 o 27.29804 7.558708  182.8698       119.9543 238.8510       
209.4402 155.5421       146.3323 29.29352 11.56234 25.30255 9.739025 3.990969 
15.11742 
1 1 1 -26 -3  14 o 25.78907 7.770674  145.8425       151.8761 216.4626       
202.2637 54.55571       229.9630 27.87412 11.23153 23.70402 10.74179 4.170101 
15.54135 
1 1 1 -26 -3  15 o 21.44550 6.711753  56.38608       121.4481 -12.99630      
190.5688 103.8370       157.5975 20.35071 9.417194 22.54029 9.565927 -2.189573 
13.42351 
1 1 1 -26 -3  16 o 33.09983 7.880205  377.4089       129.8939 366.7994       
191.5255 386.4454       176.7575 32.22653 11.35400 33.97312 10.93056 -1.746590 
15.76041 
1 1 1 -26 -2  1  o 27.46443 6.859755  162.6322       101.6987 96.24546       
146.9986 223.5782       140.8461 24.28846 9.655008 30.64040 9.747088 -6.351946 
13.71951 
1 1 1 -26 -2  2  o 29.80408 7.972476  186.7620       130.5126 208.0717       
230.2484 176.6739       158.4214 31.26975 12.17888 28.33841 10.29157 2.931343 
15.94495 
1 1 1 -26 -2  3  o 29.18835 7.797308  179.9451       123.5809 192.9807       
224.9460 174.3099       147.8997 30.47758 11.99758 27.89912 9.962432 2.578457 
15.59462 
1 1 1 -26 -2  4  o 38.22224 6.580861  387.3761       110.5265 203.3416       
186.6120 486.8185       137.1752 29.94132 11.12946 46.50317 7.026094 -16.56186 
13.16172 
1 1 1 -26 -2  5  o 23.44225 6.535758  88.79456       98.24321 146.6899       
133.0874 19.47035       145.6323 25.93367 9.431417 20.95082 9.050576 4.982849 
13.07152 
1 1 1 -26 -2  6  o 33.42216 6.797361  242.2880       112.9216 480.0589       
174.8745 72.24174       147.8872 43.88326 9.748012 22.96106 9.475904 20.92220 
13.59472 
1 1 1 -26 -2  7  o 71.39555 4.571670  1113.375       133.4464 1301.841       
220.6369 1004.665       167.5705 75.64137 6.947682 67.14973 5.943937 8.491631 
9.143340 
1 1 1 -26 -2  8  o 21.67621 6.376817  29.23355       106.4607 -130.8363      
165.8765 141.3526       138.8257 17.88938 8.427478 25.46304 9.572502 -7.573660 
12.75363 
1 1 1 -26 -2  9  o 26.37508 7.377884  133.1022       122.1481 221.1858       
185.8425 66.10914       162.0737 29.76941 11.09834 22.98075 9.724176 6.788664 
14.75577 
1 1 1 -26 -2  10 o 43.52459 10.12194  497.4612       181.6284 497.4612       
181.6284 0.000000       0.000000 43.52459 10.12194 ?        ?        ? ? 
1 1 1 -26 -2  11 o 53.77652 5.832866  715.4441       125.6725 609.1747       
185.1664 806.2012       171.1190 48.73707 9.384373 58.81596 6.929853 -10.07889 
11.66573 
1 1 1 -26 -2  12 o 24.42726 7.014999  118.0680       117.9672 -14.88329      
207.6498 181.4259       143.3459 22.05169 10.05539 26.80283 9.784170 -4.751148 
14.03000 
1 1 1 -26 -2  13 o 48.86966 6.550407  546.5001       124.7261 898.1241       
229.9332 399.8993       148.4672 58.91640 9.295796 38.82291 9.231441 20.09350 
13.10081 
1 1 1 -26 -2  14 o 28.36654 7.611648  185.6973       122.4825 383.8039       
213.0958 87.95972       149.6773 34.48240 11.99286 22.25069 9.376568 12.23171 
15.22330 
1 1 1 -26 -2  15 o 23.70178 6.816432  98.50665       124.2646 -124.8514      
192.5280 257.9967       162.6896 18.27412 8.762307 29.12945 10.44399 -10.85532 
13.63286 
1 1 1 -26 -2  16 o 23.88086 7.203326  149.3617       127.4871 139.4602       
187.1150 157.9405       174.1685 23.65041 10.23838 24.11132 10.13544 
-0.4609127     14.40665 
1 1 1 -26 -2  17 o 24.23656 7.170506  166.1955       123.0636 225.5024       
180.0033 114.1466       168.6294 26.20165 10.57982 22.27146 9.681530 3.930193 
14.34101 
1 1 1 -26 -1  1  o 30.27481 7.126908  185.3038       111.0924 348.3690       
176.3716 78.06009       143.0323 37.29309 10.70244 23.25654 9.414305 14.03654 
14.25382 
1 1 1 -26 -1  2  f 52.75653 6.738002  556.1525       136.0634 1052.787       
258.5469 365.9252       160.0138 66.99214 9.192564 38.52093 9.853905 28.47121 
13.47600 
1 1 1 -26 -1  3  o 24.45551 7.172208  78.94195       121.0817 -36.62103      
218.2536 130.3233       145.5308 23.31421 10.52013 25.59681 9.751362 -2.282600 
14.34442 
1 1 1 -26 -1  4  o 27.28321 7.103139  164.0891       110.2485 70.70616       
186.8551 213.9591       136.5496 24.78828 10.46271 29.77813 9.609893 -4.989841 
14.20628 
1 1 1 -26 -1  5  o 40.51528 6.952954  389.1098       118.4644 580.0883       
187.5808 262.4050       152.7892 48.62635 9.528085 32.40421 10.12867 16.22214 
13.90591 
1 1 1 -26 -1  6  o 29.16251 6.555437  144.0048       110.3608 398.9775       
166.4943 -55.81995      147.3931 39.69238 9.990983 18.63265 8.489716 21.05974 
13.11087 
1 1 1 -26 -1  7  o 59.94627 4.894549  818.7938       121.9575 814.5590       
185.1637 822.0385       162.0800 59.46160 7.417206 60.43094 6.388387 
-0.9693413     9.789098 
1 1 1 -26 -1  8  o 61.74218 4.485742  858.7490       112.2291 868.9597       
184.1491 852.7154       141.5556 61.45441 7.137360 62.02995 5.435588 
-0.5755424     8.971484 
1 1 1 -26 -1  9  o 25.75243 6.741005  128.5262       109.1346 -24.73279      
162.3001 255.0158       147.4461 20.11233 9.073823 31.39253 9.971477 -11.28020 
13.48201 
1 1 1 -26 -1  10 o 21.98347 6.786942  27.13615       120.5172 -35.18444      
175.0617 83.28050       166.1607 20.40015 9.283583 23.56678 9.902799 -3.166628 
13.57388 
1 1 1 -26 -1  11 o 23.69557 10.28773  66.27274       189.9604 0.000000       
0.000000 66.27274       189.9604 ?        ?        23.69557 10.28773 ? ? 
1 1 1 -26 -1  12 o 26.63587 7.494082  156.2282       118.3014 228.9758       
209.6348 122.2360       143.2991 29.30473 11.56741 23.96701 9.531010 5.337721 
14.98816 
1 1 1 -26 -1  13 o 21.74083 6.694276  41.79226       119.8648 -133.0742      
213.9758 121.7593       144.6994 19.72141 9.403409 23.76025 9.530437 -4.038832 
13.38855 
1 1 1 -26 -1  14 o 30.71145 7.950737  249.4566       130.9030 436.1943       
224.1104 152.7545       161.2739 36.37299 12.31822 25.04991 10.05576 11.32309 
15.90147 
1 1 1 -26 -1  15 o 37.63901 7.664285  440.1397       127.6728 425.0618       
193.0185 451.8679       170.2335 36.20201 11.39797 39.07602 10.24945 -2.874008 
15.32857 
1 1 1 -26 -1  16 o 25.33230 7.373981  185.1104       125.7789 247.1790       
190.9332 137.5244       167.1803 27.33464 10.95450 23.32996 9.874274 4.004684 
14.74796 
1 1 1 -26 -1  17 o 20.56450 6.586948  51.75111       121.8899 61.65110       
178.6541 43.12950       166.7208 20.97811 9.489208 20.15089 9.138188 0.8272209 
13.17390 
1 1 1 -26 0   1  o 50.03849 6.267463  614.6155       121.9474 496.5055       
195.5061 689.8326       156.0183 44.47966 10.60411 55.59732 6.684098 -11.11766 
12.53493 
1 1 1 -26 0   2  f 31.47251 7.928918  221.1165       126.0708 305.1053       
220.4305 180.2884       153.6883 34.69758 12.18507 28.24744 10.14865 6.450138 
15.85784 
1 1 1 -26 0   3  o 25.84211 6.896858  113.9895       115.4567 -61.03732      
180.6342 234.8877       150.1266 20.67327 9.413838 31.01094 10.08198 -10.33768 
13.79372 
1 1 1 -26 0   4  o 53.31639 5.415837  673.1781       112.6090 586.4803       
179.6149 729.3249       144.5444 49.28729 9.015548 57.34549 6.003755 -8.058197 
10.83167 
1 1 1 -26 0   5  o 82.25130 4.513976  1533.531       153.2299 1374.741       
230.3223 1659.620       205.2398 77.81763 7.049838 86.68498 5.639477 -8.867355 
9.027952 
1 1 1 -26 0   6  o 35.48994 6.494859  312.6727       98.11205 268.6440       
136.5372 359.6779       141.0769 32.77188 9.420403 38.20801 8.943646 -5.436127 
12.98972 
1 1 1 -26 0   7  o 35.72345 6.745256  337.6060       110.2205 190.5664       
168.7950 446.9064       145.5304 28.47127 10.58448 42.97562 8.364372 -14.50435 
13.49051 
1 1 1 -26 0   8  o 44.44430 6.318425  487.3170       113.0312 505.2299       
171.8443 473.6576       150.0613 44.78822 9.434772 44.10037 8.406845 0.6878548 
12.63685 
1 1 1 -26 0   9  o 56.60477 4.947443  730.9970       116.3560 804.7377       
180.6917 678.7566       152.0854 58.76581 7.323766 54.44373 6.653664 4.322086 
9.894887 
1 1 1 -26 0   10 o 26.17383 6.220283  39.84304       108.3767 380.3880       
165.3718 -216.5209      143.4837 37.74190 10.19562 14.60576 7.128604 23.13614 
12.44057 
1 1 1 -26 0   11 o 16.41755 5.567375  -163.1387      108.3233 -108.0862      
168.7368 -201.7321      141.2790 18.18628 8.547601 14.64882 7.135907 3.537461 
11.13475 
1 1 1 -26 0   12 o 11.49735 5.839015  -471.0484      144.8979 0.000000       
0.000000 -471.0484      144.8979 ?        ?        11.49735 5.839015 ? ? 
1 1 1 -26 0   13 o 25.78887 6.876884  149.8100       121.4250 -110.7587      
211.5395 277.8501       148.2871 19.97886 9.446910 31.59888 9.996101 -11.62001 
13.75377 
1 1 1 -26 0   14 o 24.93493 7.406942  123.7236       123.8006 220.5192       
217.8155 77.53172       150.4680 28.02447 11.52169 21.84540 9.311382 6.179062 
14.81388 
1 1 1 -26 0   15 o 32.15557 7.731899  319.0639       128.4832 448.4834       
192.7887 215.6518       172.3326 37.29860 11.32169 27.01254 10.53320 10.28607 
15.46380 
1 1 1 -26 0   16 o 37.38623 7.658850  465.3004       130.2466 395.6816       
196.0535 520.3015       174.2597 33.38354 11.51360 41.38892 10.10292 -8.005383 
15.31770 
1 1 1 -26 0   17 o 35.52621 7.578279  430.7544       128.9027 316.9627       
186.9415 533.8981       177.9803 29.77405 11.12494 41.27837 10.29354 -11.50432 
15.15656 
1 1 1 -26 1   1  o 27.03353 6.915772  118.8258       123.4296 -138.1277      
193.1268 296.2552       160.4827 19.66778 9.223441 34.39928 10.30727 -14.73150 
13.83154 
1 1 1 -26 1   2  o 21.79162 6.908738  -38.47240      121.2556 59.76706       
216.8550 -83.15884      146.2562 25.65813 11.06361 17.92511 8.277627 7.733023 
13.81748 
1 1 1 -26 1   3  o 71.70052 4.637414  1144.067       126.8517 1171.594       
234.2139 1132.640       150.9003 71.34642 7.819186 72.05462 4.988264 
-0.7081985     9.274829 
1 1 1 -26 1   4  o 44.87767 6.706035  467.2996       123.9891 674.1927       
198.9117 335.8282       158.5634 53.33715 8.882836 36.41819 10.04882 16.91896 
13.41207 
1 1 1 -26 1   5  o 45.54317 6.344413  481.4079       120.0670 830.7630       
187.6290 239.1431       156.2470 60.14342 7.430755 30.94292 10.28544 29.20051 
12.68883 
1 1 1 -26 1   6  o 23.33836 6.823576  78.44559       109.3648 43.67264       
164.9554 105.7189       146.0879 22.56100 9.686963 24.11572 9.612884 -1.554720 
13.64715 
1 1 1 -26 1   7  o 28.50830 6.869298  165.3404       107.7847 337.2795       
164.7317 36.62673       142.5287 35.92012 10.35462 21.09647 9.029441 14.82365 
13.73860 
1 1 1 -26 1   8  o 58.36480 4.940532  764.0455       119.3197 966.2487       
185.3367 620.9108       155.9338 64.92657 6.799236 51.80304 7.169784 13.12353 
9.881063 
1 1 1 -26 1   9  o 19.99017 6.234239  8.483101       99.65192 10.81573       
161.2542 7.041862       126.7524 21.01594 9.288407 18.96440 8.317958 2.051542 
12.46848 
1 1 1 -26 1   10 o 25.67745 7.013076  149.1627       107.8467 122.2020       
161.5924 170.8168       144.8189 24.77354 10.01550 26.58137 9.819502 -1.807831 
14.02615 
1 1 1 -26 1   11 o 20.11300 6.322220  3.552183       108.1746 -36.92311      
161.7397 36.31140       145.5085 19.44230 8.867929 20.78369 9.013418 -1.341394 
12.64444 
1 1 1 -26 1   12 o 24.65564 6.852641  132.3449       101.7156 174.9900       
163.4033 105.3672       129.9656 26.57194 10.27817 22.73935 9.066092 3.832586 
13.70528 
1 1 1 -26 1   13 o 38.01550 7.838742  432.6824       130.8790 405.7347       
233.5990 445.0116       158.0076 35.31809 12.52950 40.71291 9.423112 -5.394825 
15.67748 
1 1 1 -26 1   14 o 17.67398 8.657364  -258.1405      217.0085 -258.1405      
217.0085 0.000000       0.000000 17.67398 8.657364 ?        ?        ? ? 
1 1 1 -26 1   15 o 26.66168 7.518355  204.6584       126.0150 262.2133       
192.1965 161.2599       166.8943 28.60952 11.13031 24.71385 10.11033 3.895670 
15.03671 
1 1 1 -26 1   16 o 23.58632 7.034716  88.45799       128.3475 308.2308       
195.2147 -78.87360      170.3392 29.51269 11.27910 17.65995 8.410160 11.85274 
14.06943 
1 1 1 -26 2   1  o 27.81563 7.816080  133.7379       131.9160 237.3271       
223.1486 78.08956       163.5547 31.67650 12.07276 23.95475 9.930404 7.721746 
15.63216 
1 1 1 -26 2   2  o 22.23622 7.011889  -10.60914      123.4237 37.72247       
219.9549 -32.82113      149.1117 25.04568 10.97149 19.42676 8.734570 5.618917 
14.02378 
1 1 1 -26 2   3  o 25.93660 6.952431  131.1211       104.1695 199.8286       
162.0699 82.75603       135.9772 29.05334 10.42335 22.81985 9.203208 6.233490 
13.90486 
1 1 1 -26 2   4  o 22.64819 6.756315  53.83819       111.2769 5.902393       
165.7015 93.21392       150.1796 21.48031 9.464660 23.81606 9.644242 -2.335749 
13.51263 
1 1 1 -26 2   5  o 38.82549 6.753166  378.4247       107.4206 384.9543       
172.8194 374.3134       137.1292 38.50947 10.43151 39.14150 8.579310 
-0.6320305     13.50633 
1 1 1 -26 2   6  o 24.12140 6.707064  110.2617       101.8342 43.72034       
163.4601 152.4689       130.1846 22.41171 9.633597 25.83108 9.334487 -3.419376 
13.41413 
1 1 1 -26 2   7  o 34.52447 5.750011  308.5210       107.8049 -28.46259      
168.3999 542.5216       140.3286 20.40267 9.221734 48.64626 6.870964 -28.24359 
11.50002 
1 1 1 -26 2   8  o 17.63594 5.825019  -100.7492      108.2440 -191.0359      
166.9436 -35.26036      142.1810 16.67234 8.034158 18.59953 8.436570 -1.927193 
11.65004 
1 1 1 -26 2   9  o 22.72950 6.587935  84.10357       100.5574 56.47250       
138.8831 114.5501       145.7872 21.39799 9.025405 24.06102 9.599252 -2.663034 
13.17587 
1 1 1 -26 2   10 o 23.33392 6.290236  41.64723       108.8490 -217.9070      
162.5054 252.8594       146.5930 15.80698 7.689625 30.86086 9.956804 -15.05388 
12.58047 
1 1 1 -26 2   11 o 32.69729 6.756236  291.7476       111.6906 118.4207       
167.5169 430.4657       149.8623 24.53011 10.09784 40.86448 8.978896 -16.33437 
13.51247 
1 1 1 -26 2   12 o 37.40577 6.867568  366.3788       113.1162 547.1152       
173.0553 231.5576       149.4656 45.61927 9.357479 29.19227 10.05443 16.42700 
13.73514 
1 1 1 -26 2   13 o 29.97864 7.195381  243.8376       110.1685 340.0573       
166.1986 168.4203       147.1401 34.24281 10.53588 25.71446 9.802518 8.528353 
14.39076 
1 1 1 -26 2   14 o 21.51681 6.797787  26.42127       109.8832 146.6101       
215.7915 -15.65267      127.6759 25.45702 11.00737 17.57660 7.979806 7.880419 
13.59557 
1 1 1 -26 2   15 o 33.44142 10.97073  363.6897       177.7613 0.000000       
0.000000 363.6897       177.7613 ?        ?        33.44142 10.97073 ? ? 
1 1 1 -26 2   16 o 23.99644 6.750905  95.74899       128.4194 -209.1205      
194.1611 332.8298       171.2196 16.59660 8.147702 31.39628 10.76633 -14.79968 
13.50181 
1 1 1 -26 3   1  o 29.97334 7.581400  108.1940       131.6658 452.9649       
228.7634 -62.59052      161.0073 40.63676 12.33244 19.30992 8.821644 21.32684 
15.16280 
1 1 1 -26 3   2  o 50.51738 7.223491  629.9634       136.8951 662.4235       
255.7438 616.9276       162.0687 49.23226 12.37675 51.80249 7.451942 -2.570236 
14.44698 
1 1 1 -26 3   3  o 40.42091 6.215805  400.7313       102.6256 364.4256       
144.8630 437.3105       145.4077 38.30766 9.124930 42.53417 8.442780 -4.226517 
12.43161 
1 1 1 -26 3   4  o 33.29608 7.352034  274.1336       116.2455 386.0749       
177.0316 189.2820       154.1294 38.38680 10.62915 28.20536 10.16025 10.18144 
14.70407 
1 1 1 -26 3   5  o 29.60942 7.148600  200.8713       106.7931 310.8951       
171.4028 131.0603       136.5327 34.35257 10.72595 24.86628 9.453247 9.486298 
14.29720 
1 1 1 -26 3   6  o 17.29525 5.755367  -124.1492      109.5152 -205.8661      
166.3600 -61.65244      145.4862 16.43070 7.940437 18.15980 8.333453 -1.729103 
11.51073 
1 1 1 -26 3   7  f 50.64024 6.050186  625.0937       123.8078 611.4181       
189.3074 635.3149       163.6606 49.15577 9.512582 52.12471 7.478623 -2.968933 
12.10037 
1 1 1 -26 3   8  o 43.25199 6.125585  467.0691       107.1104 486.4130       
146.9320 445.1319       156.4715 44.62844 8.144096 41.87554 9.152314 2.752899 
12.25117 
1 1 1 -26 3   9  o 25.90670 7.056476  153.2305       109.6958 114.1076       
165.2876 184.0264       146.6465 24.55986 10.05681 27.25355 9.901310 -2.693687 
14.11295 
1 1 1 -26 3   10 o 22.28772 6.530018  80.79475       99.84017 71.88275       
137.3941 90.76609       145.3306 21.74997 9.064257 22.82546 9.402330 -1.075495 
13.06004 
1 1 1 -26 3   11 o 32.21259 6.763597  280.9069       112.7049 100.3166       
166.9848 432.0071       152.7433 23.74659 9.950458 40.67859 9.163698 -16.93199 
13.52719 
1 1 1 -26 3   12 o 24.35690 6.705938  137.9530       99.12733 155.1530       
133.7635 117.0006       147.6351 25.09812 9.404032 23.61567 9.562564 1.482452 
13.41188 
1 1 1 -26 3   13 o 25.16838 6.857991  154.8795       107.8993 66.59933       
163.6482 222.7715       143.5122 22.01044 9.552282 28.32633 9.842868 -6.315889 
13.71598 
1 1 1 -26 3   14 o 25.46466 6.644406  161.5077       99.95283 64.70786       
138.6160 266.3542       144.2623 20.69923 8.883512 30.23009 9.883103 -9.530861 
13.28881 
1 1 1 -26 3   15 o 25.17385 7.006658  165.9432       109.7813 269.9466       
169.9920 91.53437       143.7862 28.94262 10.64605 21.40508 9.112336 7.537539 
14.01332 
1 1 1 -26 3   16 o 20.14297 6.488613  -29.72970      127.1453 180.2099       
188.9437 -203.4728      171.8855 24.69583 10.47710 15.59011 7.657599 9.105721 
12.97723 
1 1 1 -26 4   1  o 23.25070 7.131523  46.89071       119.1097 36.29323       
224.5635 51.03919       140.5019 24.90047 10.98886 21.60093 9.092822 3.299540 
14.26305 
1 1 1 -26 4   2  o 32.48963 7.801335  260.4174       117.1572 306.0903       
228.1049 244.0520       136.5432 33.84326 12.34353 31.13600 9.543613 2.707254 
15.60267 
1 1 1 -26 4   3  o 33.38138 7.281264  291.4704       116.1815 207.2573       
172.1135 361.9651       157.4720 29.20988 10.71539 37.55288 9.861424 -8.342993 
14.56253 
1 1 1 -26 4   4  o 28.53931 7.340502  196.2146       113.7099 217.3239       
167.9056 178.3313       154.5443 29.55700 10.60882 27.52163 10.14814 2.035366 
14.68100 
1 1 1 -26 4   5  o 22.02029 6.691549  43.92701       111.1425 49.60723       
164.2677 39.13140       150.9358 22.51712 9.667388 21.52346 9.254671 0.9936638 
13.38310 
1 1 1 -26 4   6  o 16.34397 5.391671  -99.05087      92.84202 -28.58872      
129.9475 -172.5211      132.6924 18.01503 8.123875 14.67290 7.091059 3.342133 
10.78334 
1 1 1 -26 4   7  o 27.98380 7.024761  160.6468       112.2557 330.8800       
171.3970 32.77262       148.5499 34.92311 10.69007 21.04449 9.116546 13.87862 
14.04952 
1 1 1 -26 4   8  o 28.09324 7.226718  196.1070       109.7167 226.1688       
166.9117 173.2349       145.5901 29.46592 10.57725 26.72054 9.850059 2.745378 
14.45344 
1 1 1 -26 4   9  o 25.79477 7.072822  151.1142       112.2616 90.58360       
169.3375 198.5770       149.9485 23.70812 9.981229 27.88142 10.02369 -4.173294 
14.14564 
1 1 1 -26 4   10 o 24.32154 6.965997  121.8457       110.1750 119.4305       
164.6846 123.8025       148.2328 24.45899 10.03081 24.18408 9.668677 0.2749119 
13.93199 
1 1 1 -26 4   11 o 23.50965 6.436961  111.5132       95.31570 192.2906       
135.2039 31.70155       134.3932 27.13990 9.541862 19.87941 8.642382 7.260496 
12.87392 
1 1 1 -26 4   12 o 35.40253 7.236628  356.1423       113.5191 349.6398       
168.2752 361.5731       153.7825 34.74119 10.58384 36.06387 9.872059 -1.322678 
14.47326 
1 1 1 -26 4   13 o 26.87590 6.483755  196.4137       101.6314 30.25917       
166.6145 294.8681       128.2550 20.87662 9.313751 32.87518 9.022769 -11.99856 
12.96751 
1 1 1 -26 4   14 o 40.56968 6.341416  486.4070       107.1349 322.0583       
173.5992 587.5054       136.1559 31.86323 10.84153 49.27612 6.581443 -17.41289 
12.68283 
1 1 1 -26 4   15 o 22.60395 6.629961  117.2296       109.2351 20.90450       
166.8889 189.4287       144.4852 19.84665 9.040417 25.36124 9.700328 -5.514589 
13.25992 
1 1 1 -26 4   16 o 22.19050 6.592373  113.8084       100.7426 170.5937       
166.0852 80.75365       126.7156 24.22111 10.02179 20.15989 8.567448 4.061224 
13.18475 
1 1 1 -26 5   1  o 30.96867 7.990526  233.5814       123.8474 272.8236       
245.4392 220.1767       143.4489 32.36340 12.58050 29.57394 9.855200 2.789461 
15.98105 
1 1 1 -26 5   2  o 31.22097 7.125234  225.2408       116.3158 401.6201       
174.2984 83.62575       156.1797 39.02143 10.43393 23.42051 9.706125 15.60093 
14.25047 
1 1 1 -26 5   3  o 41.34378 7.059227  445.8509       121.4031 407.6346       
177.8638 479.1861       166.1173 39.14686 10.57304 43.54070 9.356368 -4.393845 
14.11845 
1 1 1 -26 5   4  o 39.67859 6.899979  395.2547       116.9753 568.6509       
178.2398 264.0711       155.0332 47.57955 9.253099 31.77762 10.23811 15.80194 
13.79996 
1 1 1 -26 5   5  o 22.23379 6.459983  58.60986       105.2961 -82.80527      
167.5786 150.8651       135.3524 18.88022 8.772757 25.58736 9.484950 -6.707138 
12.91997 
1 1 1 -26 5   6  o 21.66764 6.368591  67.15759       95.66785 56.68698       
135.3703 77.60487       135.2194 21.24319 8.932920 22.09208 9.079577 
-0.8488941     12.73718 
1 1 1 -26 5   7  o 25.81264 7.135262  148.3532       111.2458 163.2085       
168.6236 136.9047       148.0308 26.61112 10.41050 25.01417 9.760600 1.596954 
14.27052 
1 1 1 -26 5   8  o 32.40144 6.914670  237.5098       115.6365 493.1622       
181.3312 62.28297       150.1232 42.84998 10.21047 21.95289 9.327214 20.89709 
13.82934 
1 1 1 -26 5   9  o 41.07771 6.857453  446.9337       116.1398 466.9702       
172.3984 430.2847       157.1513 41.68582 9.970258 40.46960 9.417675 1.216221 
13.71491 
1 1 1 -26 5   10 o 37.57154 6.978059  374.6180       114.2829 521.6245       
173.2699 261.4235       152.0434 44.32378 9.582752 30.81930 10.14614 13.50448 
13.95612 
1 1 1 -26 5   11 o 24.70210 6.332499  127.0630       104.1270 -96.05479      
168.5986 264.6466       132.3946 18.13982 8.531096 31.26437 9.360693 -13.12454 
12.66500 
1 1 1 -26 5   12 o 19.01216 6.016336  -45.97243      109.1027 -231.6125      
164.0494 101.2575       146.0955 15.35809 7.523956 22.66623 9.390170 -7.308141 
12.03267 
1 1 1 -26 5   13 o 34.90980 7.188343  339.7437       116.9796 532.0179       
182.7992 206.3961       152.2322 42.82458 10.28180 26.99502 10.04857 15.82957 
14.37669 
1 1 1 -26 5   14 o 22.08404 6.667782  93.87807       108.3982 149.0536       
166.3642 53.17189       142.8950 24.05357 9.996048 20.11452 8.827022 3.939051 
13.33556 
1 1 1 -26 5   15 o 28.39845 6.738706  197.2433       104.7073 450.0994       
171.6993 47.53148       132.1174 37.56842 10.48929 19.22847 8.462587 18.33996 
13.47741 
1 1 1 -26 6   1  o 38.43256 7.794336  417.7950       132.5620 341.7396       
232.4561 454.4484       161.3737 34.61076 12.47664 42.25436 9.345593 -7.643597 
15.58867 
1 1 1 -26 6   2  o 27.92469 6.936181  175.1128       115.8263 0.9303410      
173.6848 314.6165       155.4364 21.34192 9.515656 34.50745 10.09429 -13.16552 
13.87236 
1 1 1 -26 6   3  o 37.14932 7.526987  365.3623       122.9844 448.4609       
189.3122 304.6844       161.7698 40.56786 10.88609 33.73079 10.39784 6.837070 
15.05397 
1 1 1 -26 6   4  f 33.07351 6.690179  279.8658       117.0538 53.67721       
171.5607 476.8681       160.1099 22.75377 9.826279 43.39325 9.081753 -20.63947 
13.38036 
1 1 1 -26 6   5  o 39.14938 7.053594  403.5728       115.4592 427.7815       
176.5753 385.4912       152.6032 39.80578 10.43758 38.49298 9.490505 1.312798 
14.10719 
1 1 1 -26 6   6  f 42.46329 6.386084  477.0191       107.3829 385.2211       
181.1349 526.7650       133.3411 37.20697 10.90096 47.71962 6.655617 -10.51265 
12.77217 
1 1 1 -26 6   7  o 72.27661 4.605156  1218.560       137.9651 1059.413       
200.4419 1361.838       190.1861 67.10589 7.114576 77.44733 5.849159 -10.34145 
9.210313 
1 1 1 -26 6   8  o 60.37247 5.305164  832.0884       131.2330 1126.754       
212.0175 649.0775       167.0880 68.80044 7.340095 51.94450 7.661728 16.85594 
10.61033 
1 1 1 -26 6   9  o 21.03754 6.541515  31.69907       111.6571 21.26576       
166.6288 40.20192       150.4254 21.10631 9.370544 20.96877 9.130093 0.1375427 
13.08303 
1 1 1 -26 6   10 o 32.95362 6.625271  246.9547       107.3683 528.0099       
175.5135 78.87956       135.7270 44.25594 9.710951 21.65131 9.015226 22.60463 
13.25054 
1 1 1 -26 6   11 o 31.52645 6.886875  283.9677       115.5039 104.5383       
175.5693 420.8855       153.3669 23.67166 10.07298 39.38124 9.394211 -15.70958 
13.77375 
1 1 1 -26 6   12 o 18.66292 6.053414  -29.98562      109.5060 -83.91472      
163.6705 13.72036       147.3429 17.83725 8.393659 19.48860 8.724779 -1.651348 
12.10683 
1 1 1 -26 6   13 o 19.96410 6.296897  0.1947440      108.9024 134.6069       
167.3914 -98.44854      143.3995 23.74480 9.956720 16.18339 7.711508 7.561415 
12.59379 
1 1 1 -26 6   14 o 17.26245 5.742261  -83.82141      103.0069 47.84752       
167.0679 -164.5705      130.8339 20.56588 9.246202 13.95903 6.811902 6.606846 
11.48452 
1 1 1 -26 6   15 o 18.53500 6.031363  -7.427975      110.3273 -87.34495      
171.3801 49.13086       144.1754 17.44296 8.340405 19.62704 8.714756 -2.184084 
12.06273 
1 1 1 -26 7   1  o 29.75541 7.542609  124.0840       127.8346 484.2142       
228.5056 -39.97000      154.2271 40.45306 12.33523 19.05776 8.683652 21.39530 
15.08522 
1 1 1 -26 7   2  o 27.63432 6.928854  170.1120       118.2392 -27.31239      
179.7822 320.5984       156.9621 20.73178 9.427387 34.53686 10.15679 -13.80507 
13.85771 
1 1 1 -26 7   3  o 28.60805 7.180492  213.1276       109.5754 163.1990       
174.5861 245.5784       140.7498 26.67089 10.54722 30.54520 9.746489 -3.874311 
14.36098 
1 1 1 -26 7   4  o 24.65891 6.699057  56.26852       114.4900 292.8543       
171.0257 -135.8508      154.1177 32.57636 10.76087 16.74146 7.982047 15.83490 
13.39811 
1 1 1 -26 7   5  o 39.23842 7.182858  415.9514       118.2202 418.5354       
184.5363 414.1526       153.9633 38.63697 10.90257 39.83986 9.354564 -1.202888 
14.36572 
1 1 1 -26 7   6  o 16.76312 5.618410  -115.4788      103.8104 -101.9812      
162.9944 -124.6906      134.6526 17.90625 8.411596 15.62000 7.450583 2.286253 
11.23682 
1 1 1 -26 7   7  o 27.57898 6.629529  185.4634       94.25270 280.3640       
143.3716 113.2334       125.0798 32.17250 9.762966 22.98545 8.971461 9.187050 
13.25906 
1 1 1 -26 7   8  o 21.38029 6.461034  -7.071051      111.6628 183.0734       
168.3507 -156.4301      149.2069 26.89416 10.42644 15.86642 7.633425 11.02774 
12.92207 
1 1 1 -26 7   9  o 22.08982 6.528095  42.12274       103.4700 193.2672       
167.3449 -51.42164      131.6513 27.13465 10.42184 17.04499 7.864436 10.08966 
13.05619 
1 1 1 -26 7   10 o 20.45393 6.446122  19.09852       113.1910 -19.54070      
168.0622 51.17680       153.1304 19.76373 9.022250 21.14414 9.209178 -1.380419 
12.89224 
1 1 1 -26 7   11 o 32.31545 7.206595  310.3237       114.7987 216.0659       
169.3475 390.4665       156.1537 27.56069 10.51337 37.07021 9.859472 -9.509521 
14.41319 
1 1 1 -26 7   12 o 19.67607 6.075658  41.15786       95.76477 5.006735       
135.8991 76.81598       134.9693 18.46242 8.317695 20.88973 8.858355 -2.427311 
12.15132 
1 1 1 -26 7   13 o 19.44238 6.002582  19.05070       103.3899 -168.9070      
169.0059 131.4609       130.6997 16.13964 7.848451 22.74513 9.084369 -6.605495 
12.00516 
1 1 1 -26 7   14 o 22.36994 6.734496  107.8375       111.6022 189.2654       
169.4642 45.47605       148.3029 25.03049 10.20521 19.70938 8.790192 5.321114 
13.46899 
1 1 1 -26 8   1  o 36.28350 6.973558  355.9871       109.9371 399.9366       
153.8175 310.0913       157.1864 38.93442 9.484461 33.63259 10.22580 5.301826 
13.94712 
1 1 1 -26 8   2  o 21.70977 6.316514  51.21736       100.1521 -61.77816      
142.7462 160.7661       140.5522 17.65251 8.161638 25.76702 9.642669 -8.114515 
12.63303 
1 1 1 -26 8   3  o 21.19440 6.404986  53.25390       101.1476 54.51633       
141.7291 51.94349       144.3970 21.18124 9.032883 21.20757 9.083083 
-0.2632904E-01 12.80997 
1 1 1 -26 8   4  o 19.86264 6.054986  25.39536       92.03762 84.48573       
139.2305 -20.46693      122.6602 22.21445 9.182742 17.51083 7.894853 4.703621 
12.10997 
1 1 1 -26 8   5  o 19.22212 5.964657  3.507571       95.48376 -70.28165      
137.3656 72.49205       132.8181 17.02343 7.922574 21.42080 8.918597 -4.397366 
11.92931 
1 1 1 -26 8   6  o 22.05823 6.412321  84.72322       96.35208 48.86036       
137.5999 119.2249       134.9632 20.65264 8.856772 23.46382 9.275184 -2.811186 
12.82464 
1 1 1 -26 8   7  o 31.97995 6.897330  279.8090       100.9754 308.8100       
147.2825 254.0876       138.7048 33.46001 9.838165 30.49989 9.669703 2.960123 
13.79466 
1 1 1 -26 8   8  o 20.16329 6.400862  7.714361       112.4082 13.42951       
166.9272 2.972482       152.0506 20.65837 9.266527 19.66820 8.832644 0.9901752 
12.80172 
1 1 1 -26 8   9  o 30.47622 6.224356  218.9894       116.0843 -97.02832      
170.8388 490.0548       158.2223 18.07967 8.527497 42.87278 9.069300 -24.79310 
12.44871 
1 1 1 -26 8   10 o 18.47452 6.058208  -55.89668      112.3274 20.08397       
165.6002 -120.6462      152.8719 20.45839 9.201262 16.49064 7.883168 3.967752 
12.11642 
1 1 1 -26 8   11 o 36.11195 7.445111  398.7661       119.6445 393.1208       
179.1493 403.3112       160.7482 35.27715 10.95584 36.94674 10.08406 -1.669582 
14.89022 
1 1 1 -26 8   12 o 22.79892 6.675138  126.1336       104.8136 84.39745       
171.6540 150.9458       132.3519 21.90451 9.643170 23.69334 9.232506 -1.788826 
13.35028 
1 1 1 -26 8   13 o 17.43190 5.778978  -61.66336      110.3536 -177.4797      
169.2814 23.92834       145.5258 15.86605 7.743578 18.99775 8.580405 -3.131695 
11.55796 
1 1 1 -26 8   14 o 21.30997 6.515850  87.82095       111.1566 4.348950       
168.8766 151.6290       147.6512 19.25443 8.892734 23.36551 9.525990 -4.111084 
13.03170 
1 1 1 -26 9   1  o 26.21009 7.337280  165.2539       118.8490 188.9560       
179.4519 146.7344       158.6242 27.22883 10.71679 25.19135 10.02462 2.037487 
14.67456 
1 1 1 -26 9   2  o 23.34985 6.669154  64.94356       117.6703 -141.9464      
177.1308 228.3673       157.4280 17.77651 8.494933 28.92319 10.28331 -11.14668 
13.33831 
1 1 1 -26 9   3  o 21.79844 6.352884  -23.23299      118.5223 -333.2634      
178.0215 223.6004       158.8446 14.94084 7.418303 28.65604 10.31530 -13.71520 
12.70577 
1 1 1 -26 9   4  o 27.69486 7.216717  203.9627       114.9527 125.9648       
174.3144 263.9856       152.9149 24.64681 10.23669 30.74292 10.17517 -6.096106 
14.43343 
1 1 1 -26 9   5  o 31.72761 7.130445  261.0347       113.3964 433.4363       
174.7220 135.5683       149.0530 39.09050 10.44397 24.36472 9.710633 14.72578 
14.26089 
1 1 1 -26 9   6  o 28.68714 7.293726  208.7119       115.3819 345.4779       
178.6106 110.7621       151.1541 34.07227 10.99025 23.30201 9.592093 10.77026 
14.58745 
1 1 1 -26 9   7  o 19.83710 6.303056  -17.67451      111.2410 90.85376       
168.3228 -101.8322      148.2240 22.94909 9.817135 16.72512 7.908093 6.223978 
12.60611 
1 1 1 -26 9   8  o 26.96988 7.326518  195.7122       117.4232 256.3318       
173.9159 144.9279       159.1834 29.39759 10.77260 24.54216 9.932899 4.855434 
14.65304 
1 1 1 -26 9   9  o 22.99204 6.818763  105.1646       114.7203 24.52233       
172.8536 168.6493       153.3669 20.75608 9.364223 25.22800 9.914306 -4.471920 
13.63753 
1 1 1 -26 9   10 o 20.81287 6.494375  37.00228       112.8009 134.2468       
167.8951 -43.00838      152.2928 23.71557 9.959321 17.91018 8.337838 5.805389 
12.98875 
1 1 1 -26 9   11 o 27.03450 7.156296  222.8551       108.6368 238.7087       
169.5423 211.8118       141.5027 27.44784 10.50511 26.62117 9.720746 0.8266697 
14.31259 
1 1 1 -26 9   12 o 26.60593 6.788893  203.3383       115.8221 5.202988       
175.8023 355.2927       153.9572 19.63876 9.071386 33.57309 10.10278 -13.93433 
13.57779 
1 1 1 -26 9   13 o 22.66697 6.831555  94.54555       130.3099 247.9341       
170.1893 -122.8029      202.5882 27.25289 10.50020 18.08104 8.742214 9.171852 
13.66311 
1 1 1 -26 10  1  o 22.11374 6.556655  87.13343       102.7282 73.05800       
145.5316 101.1118       145.0290 21.57928 9.176412 22.64819 9.367624 -1.068913 
13.11331 
1 1 1 -26 10  2  o 28.34595 7.445436  227.2945       119.3299 192.2387       
176.7377 256.6640       161.7700 26.86896 10.61629 29.82295 10.44186 -2.953995 
14.89087 
1 1 1 -26 10  3  o 23.86426 7.053706  107.5753       118.2002 184.3298       
179.6443 48.97908       156.9627 26.55075 10.63181 21.17777 9.272744 5.372971 
14.10741 
1 1 1 -26 10  4  o 22.59245 6.828547  87.34170       114.9014 57.04157       
177.8072 109.0671       150.5607 22.14260 9.774149 23.04230 9.538461 
-0.8996983     13.65709 
1 1 1 -26 10  5  o 20.54096 6.422200  32.09252       105.4012 75.54752       
173.6950 6.764822       132.6066 22.47898 9.799135 18.60294 8.303947 3.876040 
12.84440 
1 1 1 -26 10  6  o 25.78039 7.003552  171.3653       114.3182 59.70264       
173.5908 256.8779       151.9105 21.89271 9.661516 29.66807 10.14170 -7.775362 
14.00710 
1 1 1 -26 10  7  o 18.79477 6.062162  -46.54208      114.0822 -214.2292      
174.6682 78.20798       150.6553 16.01129 7.825125 21.57825 9.261028 -5.566961 
12.12432 
1 1 1 -26 10  8  o 25.00747 7.127625  168.0489       114.4219 177.4857       
174.2712 160.8981       151.7004 25.41957 10.35392 24.59537 9.798395 0.8241997 
14.25525 
1 1 1 -26 10  9  o 26.39295 7.027220  203.7659       106.0903 168.6663       
143.8021 245.6862       157.1542 24.62783 9.618058 28.15806 10.24794 -3.530226 
14.05444 
1 1 1 -26 10  10 o 20.91899 6.257987  78.39082       97.74364 6.801202       
137.6711 151.1556       138.7965 18.25290 8.286697 23.58508 9.379778 -5.332172 
12.51597 
1 1 1 -26 10  11 o 33.27755 6.687706  336.4491       98.54135 303.9134       
144.6558 364.6199       134.6036 31.10877 9.876201 35.44632 9.020107 -4.337551 
13.37541 
1 1 1 -26 10  12 o 29.62093 11.44830  326.0733       202.6415 0.000000       
0.000000 326.0733       202.6415 ?        ?        29.62093 11.44830 ? ? 
1 1 1 -26 11  1  o 17.95988 5.968952  -86.10879      118.1310 -197.2634      
174.7336 7.464592       160.3204 16.22981 7.911402 19.68994 8.939981 -3.460133 
11.93790 
1 1 1 -26 11  2  o 32.27491 7.622591  314.5598       122.2744 423.5585       
187.5136 233.9255       161.2805 36.50937 11.18256 28.04044 10.36176 8.468925 
15.24518 
1 1 1 -26 11  3  o 27.99661 6.492300  195.6035       102.3659 380.1044       
150.1224 35.26617       139.9470 36.35494 9.666259 19.63828 8.669675 16.71666 
12.98460 
1 1 1 -26 11  4  o 17.31999 5.811219  -92.67944      113.0250 -73.62495      
171.3776 -107.3468      150.3598 18.20538 8.573340 16.43460 7.847223 1.770779 
11.62244 
1 1 1 -26 11  5  o 25.71712 6.636707  153.8102       115.9347 -85.92488      
176.5724 335.4784       153.7080 18.13446 8.601230 33.29977 10.10952 -15.16531 
13.27341 
1 1 1 -26 11  6  o 20.73355 6.086410  -41.78182      115.5707 -427.5438      
178.3628 237.3836       151.7313 13.53772 6.825913 27.92937 10.07891 -14.39165 
12.17282 
1 1 1 -26 11  7  o 24.74243 7.093952  158.5075       115.0366 253.2479       
178.6424 91.38968       150.3613 27.94976 10.76007 21.53509 9.247567 6.414667 
14.18790 
1 1 1 -26 11  8  o 17.85258 5.925269  -48.05014      112.7125 -70.88249      
170.2859 -30.24728      150.3655 17.85810 8.459072 17.84706 8.299358 
0.1103973E-01  11.85054 
1 1 1 -26 11  9  o 18.15536 5.897032  -7.040755      102.6169 -25.71827      
139.8418 14.75062       151.0497 17.37013 8.049076 18.94060 8.620460 -1.570461 
11.79406 
1 1 1 -26 11  10 o 43.90474 12.30940  698.9311       235.9752 0.000000       
0.000000 698.9311       235.9752 ?        ?        43.90474 12.30940 ? ? 
1 1 1 -26 12  1  o 39.50023 7.297243  476.8277       123.8066 612.9872       
186.8028 370.1663       165.3342 45.15331 10.10785 33.84716 10.52760 11.30615 
14.59449 
1 1 1 -26 12  2  o 26.96339 7.306547  228.3030       121.3370 141.4504       
179.7879 300.9521       164.4313 23.62119 10.12665 30.30558 10.53535 -6.684391 
14.61309 
1 1 1 -26 12  3  o 23.55707 6.970508  144.2479       116.9223 99.75095       
174.8824 180.2149       157.2290 22.23972 9.762359 24.87443 9.952300 -2.634716 
13.94102 
1 1 1 -26 12  4  o 38.77911 7.139104  461.7897       115.4633 465.4354       
190.4110 459.6695       145.2063 37.08323 11.25073 40.47498 8.791380 -3.391750 
14.27821 
1 1 1 -26 12  5  o 34.91201 6.904241  368.5980       105.0670 416.5754       
155.7779 328.5588       142.3082 37.00436 9.850169 32.81966 9.677207 4.184700 
13.80848 
1 1 1 -26 12  6  o 18.79725 6.168918  -21.83040      115.2481 57.44333       
175.0255 -82.51126      153.1308 20.87952 9.421235 16.71497 7.966337 4.164558 
12.33784 
1 1 1 -26 12  7  o 19.00531 6.030247  13.99292       107.0292 -139.3241      
177.4365 101.6825       134.1905 16.80148 8.133561 21.20914 8.905094 -4.407660 
12.06049 
1 1 1 -26 12  8  o 22.03877 10.05141  77.03245       207.7001 0.000000       
0.000000 77.03245       207.7001 ?        ?        22.03877 10.05141 ? ? 
1 1 1 -26 13  2  o 25.55172 7.313486  205.1248       124.1413 150.2395       
178.7262 256.2886       172.5606 23.55727 10.09789 27.54617 10.58210 -3.988901 
14.62697 
1 1 1 -26 13  3  o 17.21065 5.613916  -26.57403      94.90539 34.68898       
139.4812 -79.38795      129.5062 18.97263 8.491434 15.44867 7.345731 3.523959 
11.22783 
1 1 1 -25 -27 1  o 19.91160 6.341465  45.33184       109.2669 8.226309       
188.1272 64.22155       134.2285 20.02522 9.301045 19.79798 8.622488 0.2272396 
12.68293 
1 1 1 -25 -26 1  o 25.04105 7.396235  166.5124       133.2580 88.59831       
192.3617 238.4038       184.7775 22.60784 10.04898 27.47426 10.85519 -4.866419 
14.79247 
1 1 1 -25 -26 2  o 29.64672 7.509664  299.3987       128.0508 389.1670       
169.2445 179.2086       195.8338 34.46933 10.63735 24.82411 10.60316 9.645220 
15.01933 
1 1 1 -25 -26 3  o 21.78623 6.680604  94.90759       116.1580 20.98952       
165.8557 166.0686       162.7332 19.55818 8.942730 24.01428 9.927208 -4.456097 
13.36121 
1 1 1 -25 -25 1  o 20.46189 6.577625  -29.03176      129.4921 102.3759       
180.1002 -169.6681      186.3170 23.47888 10.10275 17.44491 8.425860 6.033978 
13.15525 
1 1 1 -25 -25 2  o 23.67769 7.225685  118.2502       132.3791 154.9711       
181.5986 76.60970       193.3812 24.75207 10.37448 22.60331 10.06043 2.148756 
14.45137 
1 1 1 -25 -25 3  o 25.34371 7.095662  186.6974       112.0239 155.6684       
151.2587 224.3932       166.7185 23.91418 9.680948 26.77324 10.37656 -2.859062 
14.19132 
1 1 1 -25 -25 4  o 43.88596 6.155762  533.9806       110.8785 705.4542       
164.3312 390.6766       150.2279 52.05215 7.519733 35.71977 9.748192 16.33238 
12.31152 
1 1 1 -25 -24 1  o 26.92532 7.029692  189.5482       104.9485 190.8478       
151.9105 188.3615       145.1587 27.00079 10.04049 26.84986 9.841489 0.1509285 
14.05938 
1 1 1 -25 -24 2  o 28.82427 7.548832  235.7153       121.2503 270.2422       
179.2683 206.6023       164.6148 30.22306 10.95056 27.42548 10.39349 2.797586 
15.09766 
1 1 1 -25 -24 3  o 24.77716 6.937355  157.5408       107.5206 180.0635       
154.1654 136.2095       150.0329 25.74095 9.977891 23.81337 9.641021 1.927578 
13.87471 
1 1 1 -25 -24 4  o 21.05722 6.428226  78.04915       103.8259 64.19370       
145.8907 92.26804       147.7918 20.54314 8.967709 21.57130 9.212415 -1.028164 
12.85645 
1 1 1 -25 -24 5  o 24.69357 6.993422  180.3497       109.7929 183.3905       
145.4719 176.3250       167.3599 24.84535 9.679734 24.54178 10.09626 0.3035717 
13.98684 
1 1 1 -25 -23 1  o 31.37345 7.345706  268.7610       111.2475 278.7122       
177.5842 262.3333       142.7234 31.52175 10.94952 31.22514 9.795185 0.2966118 
14.69141 
1 1 1 -25 -23 2  o 21.77629 6.757599  16.04403       125.3987 -110.4860      
181.8280 130.8109       173.1698 18.64223 8.794200 24.91036 10.26268 -6.268131 
13.51520 
1 1 1 -25 -23 3  o 31.66953 7.624629  292.3308       122.1173 250.4263       
170.0865 336.9135       175.4377 29.58894 10.67180 33.75011 10.89278 -4.161165 
15.24926 
1 1 1 -25 -23 4  o 32.82977 6.246188  264.1480       115.9811 -22.66140      
160.6624 576.2686       167.6018 19.12829 8.769272 46.53126 8.897153 -27.40297 
12.49238 
1 1 1 -25 -23 5  o 26.76520 6.845201  212.6225       104.8342 268.5527       
133.3192 122.0118       169.6911 30.29151 9.459938 23.23889 9.896297 7.052616 
13.69040 
1 1 1 -25 -23 6  o 34.53384 7.082445  362.7960       110.0450 276.5985       
145.6859 477.3219       167.9276 29.63929 9.931747 39.42839 10.09973 -9.789097 
14.16489 
1 1 1 -25 -22 1  o 49.27859 6.995215  649.8777       140.3032 472.4998       
207.6163 798.9703       190.3442 40.73597 11.58664 57.82122 7.841037 -17.08525 
13.99043 
1 1 1 -25 -22 2  o 22.86314 6.831156  0.5448850      127.8700 216.5504       
182.6405 -207.1275      179.0829 28.81386 10.93952 16.91242 8.184480 11.90144 
13.66231 
1 1 1 -25 -22 3  o 22.70664 7.053427  33.74123       132.5430 -56.62837      
183.3866 132.5761       191.7836 19.91846 9.225154 25.49483 10.67239 -5.576365 
14.10685 
1 1 1 -25 -22 4  o 18.85942 6.063936  -43.60885      108.0785 54.71299       
154.2414 -138.4516      151.4880 21.43870 9.288465 16.28013 7.798059 5.158571 
12.12787 
1 1 1 -25 -22 5  o 25.07469 6.928944  158.0114       104.2418 145.7730       
135.1831 175.9630       163.7232 24.23281 9.353724 25.91658 10.22491 -1.683769 
13.85789 
1 1 1 -25 -22 6  o 23.51775 6.695186  132.9524       102.1795 89.38292       
138.5523 184.9040       151.2941 21.41370 9.022498 25.62180 9.894271 -4.208101 
13.39037 
1 1 1 -25 -22 7  o 20.42657 6.348342  60.54907       107.1790 8.739059       
158.3726 104.3284       145.5819 19.14691 8.748002 21.70622 9.202078 -2.559315 
12.69668 
1 1 1 -25 -22 8  o 19.14259 6.080446  -7.722905      109.8250 -159.9261      
157.5104 136.2843       153.2108 15.47461 7.537550 22.81058 9.543199 -7.335967 
12.16089 
1 1 1 -25 -21 1  o 41.82517 7.838815  476.8848       138.0075 469.5509       
222.8811 481.4452       175.7531 40.54003 12.14685 43.11031 9.911722 -2.570282 
15.67763 
1 1 1 -25 -21 2  o 27.32151 7.518813  174.0249       122.7386 184.2921       
190.8629 166.7851       160.2739 27.95366 11.03633 26.68937 10.21419 1.264284 
15.03763 
1 1 1 -25 -21 3  o 39.61052 7.478353  441.7713       129.7240 346.8586       
195.8029 516.0245       173.1866 34.72545 11.51401 44.49559 9.546240 -9.770142 
14.95671 
1 1 1 -25 -21 4  o 20.42224 6.486396  -17.16682      114.2157 77.00338       
180.3380 -80.24104      147.5899 23.41004 10.09166 17.43445 8.151796 5.975590 
12.97279 
1 1 1 -25 -21 5  o 24.73877 6.790349  122.7188       111.3559 244.9667       
153.3003 -13.83764      162.0237 29.70266 10.18720 19.77487 8.980883 9.927790 
13.58070 
1 1 1 -25 -21 6  o 20.93928 6.414329  50.73420       104.7231 92.13173       
152.0482 13.37291       144.4458 22.42626 9.450547 19.45230 8.675344 2.973957 
12.82866 
1 1 1 -25 -21 7  o 26.22660 6.916914  195.2969       102.0341 196.2522       
150.8278 194.4909       138.5490 26.23462 9.946810 26.21858 9.614354 
0.1603508E-01  13.83383 
1 1 1 -25 -21 8  o 15.08044 5.139627  -123.6789      96.31050 -99.16049      
140.9881 -145.1303      131.8753 15.80548 7.559206 14.35540 6.965737 1.450075 
10.27925 
1 1 1 -25 -21 9  o 17.80363 5.781430  -13.56557      100.3115 37.09763       
141.7744 -64.35401      141.9495 19.13366 8.562294 16.47360 7.770897 2.660055 
11.56286 
1 1 1 -25 -20 1  o 62.33454 5.617983  888.7175       142.5389 1013.372       
237.2728 818.3289       178.2971 65.01175 8.693149 59.65733 7.118716 5.354420 
11.23597 
1 1 1 -25 -20 2  o 31.24258 7.670020  254.5419       123.7975 218.4073       
176.0258 289.9070       174.1416 29.51577 10.83562 32.96940 10.85846 -3.453627 
15.34004 
1 1 1 -25 -20 3  o 24.48717 7.266033  91.93656       125.8167 139.7196       
189.3452 54.15770       168.3611 26.31949 10.76834 22.65485 9.758270 3.664635 
14.53207 
1 1 1 -25 -20 4  o 60.16634 5.594619  840.5701       137.3714 1003.168       
228.5867 748.6504       171.8690 63.96221 8.512334 56.37048 7.262177 7.591732 
11.18924 
1 1 1 -25 -20 5  o 39.50130 6.679930  380.5440       109.1568 598.6476       
181.4388 256.8226       136.6537 48.00658 9.335387 30.99601 9.557008 17.01057 
13.35986 
1 1 1 -25 -20 6  o 27.64659 6.704290  199.7419       98.11314 123.3195       
141.5355 270.4366       136.1283 23.73714 9.461937 31.55604 9.500621 -7.818893 
13.40858 
1 1 1 -25 -20 7  f 27.35307 6.653866  181.8242       99.43358 323.3039       
150.4139 72.00374       132.5203 33.70760 9.952157 20.99854 8.834609 12.70906 
13.30773 
1 1 1 -25 -20 8  o 29.01311 6.831334  248.2176       98.76930 211.0457       
152.2846 275.2083       129.7644 26.94667 10.04637 31.07955 9.259530 -4.132877 
13.66267 
1 1 1 -25 -20 9  o 14.02368 4.879020  -222.8838      102.7990 -134.2982      
141.9283 -320.6430      149.0961 15.15483 7.325637 12.89254 6.446269 2.262289 
9.758039 
1 1 1 -25 -19 1  o 63.86736 5.542405  937.7098       146.6372 1005.049       
229.2977 891.1140       190.7386 65.37170 8.354703 62.36301 7.285051 3.008682 
11.08481 
1 1 1 -25 -19 2  o 31.84388 7.511375  262.1686       129.6392 100.0581       
204.6924 370.7455       167.5192 25.92336 10.94670 37.76440 10.28848 -11.84104 
15.02275 
1 1 1 -25 -19 3  o 27.99522 7.504830  184.0699       121.5931 206.6086       
172.7545 161.9419       171.1736 28.99398 10.72203 26.99645 10.50371 1.997528 
15.00966 
1 1 1 -25 -19 4  f 22.85597 6.773087  -35.12238      123.1476 233.8975       
189.1460 -233.0654      162.2464 30.08348 11.20029 15.62846 7.619202 14.45502 
13.54617 
1 1 1 -25 -19 5  o 67.00976 5.542244  1108.080       148.5572 892.8043       
229.5502 1263.219       194.8677 59.70959 9.157030 74.30993 6.246173 -14.60034 
11.08449 
1 1 1 -25 -19 6  o 49.59358 5.247103  586.2566       109.1297 624.4801       
157.6176 551.0615       151.2450 51.21617 7.330247 47.97099 7.509715 3.245174 
10.49421 
1 1 1 -25 -19 7  o 22.23894 6.373356  71.79819       97.35758 179.9117       
144.3607 -18.39690      131.8562 26.44620 9.797061 18.03168 8.154526 8.414524 
12.74671 
1 1 1 -25 -19 8  o 21.92042 6.400018  89.00632       98.42210 25.69591       
152.8739 133.8253       128.6255 20.23161 8.979676 23.60924 9.121751 -3.377636 
12.80004 
1 1 1 -25 -19 9  o 38.51136 6.341019  420.8106       104.9051 304.3293       
155.4714 518.1719       142.1397 31.60906 10.25946 45.41365 7.455042 -13.80459 
12.68204 
1 1 1 -25 -19 10 o 27.83464 7.297121  240.3889       117.1980 151.2014       
159.9070 343.8986       172.2684 23.66944 9.816010 31.99984 10.79990 -8.330406 
14.59424 
1 1 1 -25 -18 1  o 25.53231 7.416812  104.9369       124.5647 64.70924       
214.5581 125.3895       152.9875 25.61705 11.02490 25.44756 9.924110 0.1694889 
14.83362 
1 1 1 -25 -18 2  o 29.30109 7.816909  187.2886       130.5409 267.5978       
203.9770 131.5792       169.8882 32.47512 11.68932 26.12707 10.38153 6.348059 
15.63382 
1 1 1 -25 -18 3  o 35.05666 7.893967  330.1633       131.8983 284.6501       
207.6588 360.9427       170.7701 32.94661 11.80076 37.16671 10.48813 -4.220104 
15.78793 
1 1 1 -25 -18 4  o 31.09601 7.552788  248.6532       122.8201 172.1031       
177.8376 318.4623       169.8270 27.58515 10.71168 34.60686 10.65075 -7.021715 
15.10558 
1 1 1 -25 -18 5  o 30.01411 7.789999  212.6818       128.4106 335.8194       
205.2460 133.4808       164.6057 34.55486 11.78838 25.47336 10.18677 9.081491 
15.58000 
1 1 1 -25 -18 6  o 36.43153 7.698826  374.0282       127.9073 328.8531       
197.6575 406.5750       167.7712 33.96030 11.56841 38.90276 10.16168 -4.942459 
15.39765 
1 1 1 -25 -18 7  o 36.80364 7.207747  384.9212       116.7841 311.2776       
192.5232 427.7950       146.8966 32.79489 11.39991 40.81239 8.823182 -8.017502 
14.41549 
1 1 1 -25 -18 8  o 28.35803 6.942670  218.3050       104.6422 145.8814       
158.7485 273.9525       139.1529 25.06752 10.01184 31.64854 9.621110 -6.581026 
13.88534 
1 1 1 -25 -18 9  o 62.70210 5.017869  949.9533       131.8032 905.9882       
179.3147 1001.623       194.3928 61.27761 6.970037 64.12659 7.220430 -2.848984 
10.03574 
1 1 1 -25 -18 10 o 20.79663 6.438399  8.071808       114.1222 -134.7486      
153.7045 183.5309       170.3647 16.03577 7.722890 25.55748 10.30383 -9.521706 
12.87680 
1 1 1 -25 -18 11 o 62.88440 6.636270  1136.035       166.3568 1031.598       
250.6828 1218.221       222.3800 57.66352 10.75509 68.10528 7.777429 -10.44175 
13.27254 
1 1 1 -25 -17 1  o 35.69960 8.234356  289.9157       143.6690 493.6432       
235.7215 169.5083       181.2179 43.02985 12.38064 28.36936 10.85994 14.66049 
16.46871 
1 1 1 -25 -17 2  o 24.06974 7.012627  47.02338       128.3271 -166.8447      
206.9345 180.6632       163.5791 19.84001 9.365832 28.29948 10.43978 -8.459465 
14.02525 
1 1 1 -25 -17 3  o 29.70627 7.831837  168.7111       133.9418 347.4330       
216.3483 57.63487       170.5592 36.00607 12.10302 23.40648 9.943222 12.59960 
15.66367 
1 1 1 -25 -17 4  o 23.61660 7.197558  51.24645       128.0962 65.81621       
198.3666 40.82523       167.7652 24.66766 10.60821 22.56553 9.730629 2.102127 
14.39512 
1 1 1 -25 -17 5  o 68.92294 5.147941  1128.532       142.3889 973.0792       
225.9467 1230.938       183.3864 63.76183 8.440463 74.08405 5.896080 -10.32221 
10.29588 
1 1 1 -25 -17 6  o 28.83176 7.566330  184.2391       119.0036 310.3307       
200.9857 116.1697       147.6720 33.42480 11.64499 24.23872 9.663935 9.186081 
15.13266 
1 1 1 -25 -17 7  o 40.72250 7.197884  460.2241       123.0963 375.3139       
198.1857 513.5557       157.0668 36.12180 11.56939 45.32320 8.566644 -9.201397 
14.39577 
1 1 1 -25 -17 8  o 29.26582 7.641188  209.1653       120.3737 333.2089       
204.5534 143.4532       148.8819 33.52748 11.74147 25.00415 9.782071 8.523331 
15.28238 
1 1 1 -25 -17 9  f 44.85786 6.451856  531.8742       118.9869 432.8723       
171.2365 624.3070       165.4579 39.28594 10.26809 50.42978 7.814868 -11.14383 
12.90371 
1 1 1 -25 -17 10 o 28.34423 6.928386  178.3489       118.6795 -18.21591      
160.0352 418.5426       176.9064 19.24304 8.792706 37.44543 10.70974 -18.20239 
13.85677 
1 1 1 -25 -17 11 o 40.16462 7.379660  499.5085       130.9983 353.3609       
183.4224 651.6613       187.1530 32.60023 11.14405 47.72901 9.677170 -15.12878 
14.75932 
1 1 1 -25 -17 12 o 17.13580 5.867781  -139.7740      130.3901 -184.6212      
190.9896 -100.6234      178.4476 16.73806 8.180838 17.53354 8.414114 
-0.7954750     11.73556 
1 1 1 -25 -16 1  o 56.22361 6.084116  727.8087       141.9401 741.9449       
218.2055 717.4396       186.8822 56.31206 9.229651 56.13515 7.929653 0.1769028 
12.16823 
1 1 1 -25 -16 2  o 44.48262 7.710265  496.6413       140.1067 530.1762       
226.0560 475.7243       178.5322 45.06855 11.80624 43.89669 9.919956 1.171864 
15.42053 
1 1 1 -25 -16 3  o 29.24513 7.240776  166.1595       116.2864 338.2477       
182.4014 48.31998       150.9379 36.22702 11.01567 22.26323 9.400550 13.96379 
14.48155 
1 1 1 -25 -16 4  f 34.94440 7.654258  276.6483       127.2832 495.9909       
210.4353 150.1056       159.8364 43.26259 11.41780 26.62622 10.19727 16.63637 
15.30852 
1 1 1 -25 -16 5  o 25.30045 7.078051  84.81033       119.7177 240.0305       
178.5424 -41.98716      161.3699 30.84962 10.95294 19.75127 8.968191 11.09835 
14.15610 
1 1 1 -25 -16 6  o 19.48045 6.342075  -70.63060      111.4450 5.502186       
196.3624 -106.8063      135.3571 22.66013 10.11021 16.30077 7.659720 6.359356 
12.68415 
1 1 1 -25 -16 7  o 30.98987 7.632511  246.7938       117.5399 289.4829       
201.2500 224.6932       144.8039 32.45631 11.61802 29.52344 9.901637 2.932867 
15.26502 
1 1 1 -25 -16 8  o 20.95336 6.641509  -0.6701466E-01 114.9703 38.29241       
195.9217 -20.21400      141.9879 23.08431 10.21583 18.82242 8.489718 4.261890 
13.28302 
1 1 1 -25 -16 9  o 28.15582 7.349506  206.6964       114.2579 239.8186       
172.4509 180.7798       152.5443 29.57030 10.73774 26.74135 10.03802 2.828957 
14.69901 
1 1 1 -25 -16 10 o 20.61418 6.428062  21.18415       111.1039 86.52341       
155.5385 -46.89011      158.7604 22.54450 9.532173 18.68386 8.626564 3.860645 
12.85612 
1 1 1 -25 -16 11 o 27.34238 7.266319  207.7910       122.3678 305.4063       
163.1828 82.37588       184.9653 31.83242 10.51124 22.85234 10.03551 8.980076 
14.53264 
1 1 1 -25 -16 12 o 50.96054 7.099959  766.5504       147.8176 705.4524       
218.9044 817.7600       200.4091 47.05589 11.22229 54.86520 8.700449 -7.809307 
14.19992 
1 1 1 -25 -16 13 o 23.87371 6.964986  137.5515       118.0151 27.33462       
158.5687 274.4086       176.6962 19.47886 8.856600 28.26856 10.75197 -8.789705 
13.92997 
1 1 1 -25 -15 1  o 27.20970 6.976105  61.05480       133.8125 -268.2329      
199.5760 329.9816       180.3589 17.94422 8.676220 36.47518 10.92645 -18.53096 
13.95221 
1 1 1 -25 -15 2  o 55.25523 6.310654  732.8834       137.8234 534.6625       
198.0303 919.0915       191.9359 46.49429 10.40658 64.01617 7.141468 -17.52188 
12.62131 
1 1 1 -25 -15 3  f 19.92621 6.574947  -129.4825      136.7774 -243.5483      
214.2834 -51.05546      177.6822 19.05163 9.161457 20.80079 9.433315 -1.749151 
13.14989 
1 1 1 -25 -15 4  o 22.60146 6.875739  34.60520       116.8396 48.10243       
178.7037 24.52742       154.4165 23.60481 10.10706 21.59811 9.324730 2.006704 
13.75148 
1 1 1 -25 -15 5  o 27.96775 7.533135  142.9656       114.1651 277.8277       
212.1450 87.98755       135.4511 32.94568 11.91487 22.98982 9.221080 9.955864 
15.06627 
1 1 1 -25 -15 6  o 42.69294 6.664944  437.5322       110.6893 523.8790       
194.8066 396.3635       134.5128 44.90326 10.50888 40.48262 8.200576 4.420647 
13.32989 
1 1 1 -25 -15 7  o 28.24205 7.512079  191.1783       118.3909 170.3870       
205.6713 201.4816       144.7837 28.03151 11.31301 28.45259 9.886410 
-0.4210796     15.02416 
1 1 1 -25 -15 8  o 19.47101 6.337261  -58.60200      117.5900 -25.91629      
180.7628 -82.58141      154.8279 20.88721 9.486048 18.05481 8.405856 2.832396 
12.67452 
1 1 1 -25 -15 9  o 26.23465 7.282053  98.65057       116.5877 321.7317       
206.3000 -6.029619      141.3188 33.28939 11.77819 19.17991 8.566650 14.10947 
14.56411 
1 1 1 -25 -15 10 o 23.36340 7.130521  76.58127       125.9397 107.1001       
195.3307 54.86833       164.7579 24.69469 10.57003 22.03211 9.573494 2.662580 
14.26104 
1 1 1 -25 -15 11 o 24.02313 7.130451  115.8953       123.5385 50.85686       
195.7381 158.9552       159.2673 22.68189 10.10773 25.36437 10.06018 -2.682480 
14.26090 
1 1 1 -25 -15 12 o 38.94116 8.113889  477.8306       139.1469 538.9320       
223.2450 439.0126       177.9398 39.95486 12.19423 37.92746 10.70708 2.027401 
16.22778 
1 1 1 -25 -15 13 o 27.28272 7.402137  239.8623       119.5101 217.7254       
177.1133 258.3667       161.9310 26.28874 10.54426 28.27671 10.39159 -1.987972 
14.80427 
1 1 1 -25 -14 1  o 52.13698 6.825981  664.1161       142.0069 489.7032       
211.7328 806.7161       191.4515 44.27321 11.34079 60.00075 7.600167 -15.72754 
13.65196 
1 1 1 -25 -14 2  o 58.18086 6.091052  772.9253       146.6769 798.0297       
228.2527 755.2664       191.4354 58.58548 9.279978 57.77624 7.892128 0.8092461 
12.18210 
1 1 1 -25 -14 3  o 32.83716 7.522607  236.2832       123.0849 401.7409       
192.9334 122.7228       159.8370 39.79926 11.12122 25.87505 10.13296 13.92421 
15.04521 
1 1 1 -25 -14 4  o 37.79182 7.944275  355.7615       129.1279 403.0033       
227.6501 333.3519       156.7912 38.97971 12.39104 36.60393 9.945260 2.375786 
15.88855 
1 1 1 -25 -14 5  o 31.07302 6.934955  255.0343       109.2502 66.43445       
212.6946 322.6266       127.3310 25.58580 10.99321 36.56024 8.457173 -10.97444 
13.86991 
1 1 1 -25 -14 6  o 54.33877 5.570662  651.4614       118.7972 790.2261       
216.4084 591.6090       142.1264 57.49002 8.966082 51.18751 6.613508 6.302517 
11.14132 
1 1 1 -25 -14 7  o 27.66374 7.606430  159.8395       121.7929 223.3193       
207.6614 126.5542       150.3708 30.27457 11.61485 25.05291 9.824787 5.221663 
15.21286 
1 1 1 -25 -14 8  o 50.53405 6.530217  625.0425       130.4077 677.6598       
216.9455 595.2739       163.1794 50.81534 10.52398 50.25276 7.734396 0.5625801 
13.06043 
1 1 1 -25 -14 9  o 34.34688 7.667372  336.6474       131.6087 206.7950       
210.8245 419.5622       168.4659 28.99996 11.55171 39.69380 10.08526 -10.69384 
15.33474 
1 1 1 -25 -14 10 o 22.36948 6.516154  40.02026       113.5402 -157.6007      
172.4033 191.3797       150.8808 17.36105 8.316574 27.37791 10.03373 -10.01686 
13.03231 
1 1 1 -25 -14 11 o 24.06391 7.118606  93.39219       113.6011 196.7766       
201.0186 44.88162       137.6978 27.67555 11.17814 20.45228 8.817451 7.223272 
14.23721 
1 1 1 -25 -14 12 o 23.67952 6.445866  121.7433       105.4196 -85.82787      
184.0431 223.1028       128.6081 18.89746 8.894944 28.46158 9.331490 -9.564125 
12.89173 
1 1 1 -25 -14 13 o 39.74336 7.410742  519.3233       136.3880 328.0793       
211.8848 654.6213       178.2180 30.69749 11.74532 48.78924 9.040123 -18.09175 
14.82148 
1 1 1 -25 -14 14 o 21.26470 6.483402  74.62637       113.8209 -68.76233      
177.7026 174.3756       148.2146 18.09598 8.604608 24.43342 9.700450 -6.337435 
12.96680 
1 1 1 -25 -13 1  o 36.23059 6.323963  303.2872       130.9713 -109.9138      
205.7568 584.7474       169.8173 21.40521 9.859294 51.05597 7.922397 -29.65075 
12.64793 
1 1 1 -25 -13 2  o 44.79786 7.625701  483.3795       139.4085 558.5385       
223.5080 435.5211       178.3537 47.29111 11.37862 42.30460 10.15541 4.986507 
15.25140 
1 1 1 -25 -13 3  o 31.80227 7.560885  225.6730       113.3748 299.0182       
200.1600 191.0254       137.5715 34.82101 11.64141 28.78353 9.651195 6.037487 
15.12177 
1 1 1 -25 -13 4  o 23.45953 6.915825  64.13740       109.2622 61.53032       
185.5785 65.52061       135.1746 24.61440 10.40994 22.30465 9.107559 2.309752 
13.83165 
1 1 1 -25 -13 5  o 29.00582 7.289056  176.5557       108.9864 276.6308       
182.6997 121.2704       135.7936 33.24106 11.12207 24.77058 9.424480 8.470484 
14.57811 
1 1 1 -25 -13 6  o 75.59134 5.097252  1296.728       154.0624 1312.758       
260.0510 1288.059       191.2344 75.03320 8.255173 76.14947 5.981640 -1.116264 
10.19450 
1 1 1 -25 -13 7  o 32.41124 6.919267  274.1466       114.5255 98.90788       
182.4473 388.0952       147.1218 25.22327 10.47424 39.59921 9.044080 -14.37594 
13.83853 
1 1 1 -25 -13 8  o 27.12418 7.415698  162.8595       118.7481 173.2822       
184.6776 155.5126       155.0510 27.82467 10.89286 26.42369 10.06558 1.400986 
14.83140 
1 1 1 -25 -13 9  o 24.78775 7.440656  76.52463       128.0335 172.7606       
221.2149 28.04920       157.0024 28.24631 11.61180 21.32919 9.306969 6.917116 
14.88131 
1 1 1 -25 -13 10 o 45.61094 6.739012  646.6345       124.1920 278.3833       
224.8932 808.2064       148.9660 31.57110 12.09442 59.65077 5.948289 -28.07967 
13.47802 
1 1 1 -25 -13 11 o 21.40997 6.400548  65.64758       98.14118 -10.49264      
176.0827 99.95929       118.2036 20.70714 9.390806 22.11280 8.699473 -1.405663 
12.80110 
1 1 1 -25 -13 12 o 37.18678 7.568209  384.0344       119.5244 468.0845       
205.9411 341.3422       146.7737 39.14887 11.66521 35.22469 9.645412 3.924183 
15.13642 
1 1 1 -25 -13 13 o 37.06942 7.041660  391.9976       110.6084 421.1829       
173.1377 371.8730       143.7715 37.57895 10.54645 36.55989 9.333394 1.019062 
14.08332 
1 1 1 -25 -13 14 o 27.13197 7.523435  223.5700       121.2033 293.4787       
199.9105 182.9362       152.4099 29.13475 11.34802 25.12919 9.880829 4.005558 
15.04687 
1 1 1 -25 -13 15 o 25.66303 6.744978  182.2041       107.4360 47.81723       
150.1117 323.3336       153.8315 19.75841 8.826975 31.56764 10.20115 -11.80923 
13.48996 
1 1 1 -25 -12 1  o 83.09473 5.715345  1490.370       188.3448 1725.706       
333.9479 1380.593       228.0816 86.99255 9.143611 79.19689 6.859668 7.795662 
11.43069 
1 1 1 -25 -12 2  o 25.04556 6.887671  83.72914       117.2225 -121.2725      
195.6020 198.6177       146.4310 20.54245 9.519243 29.54867 9.957110 -9.006218 
13.77534 
1 1 1 -25 -12 3  o 41.62807 7.037486  424.4475       117.5803 399.4486       
200.0299 437.6454       145.3409 39.91246 11.37955 43.34369 8.283150 -3.431232 
14.07497 
1 1 1 -25 -12 4  f 75.40851 5.193350  1248.341       150.3170 1349.980       
278.5165 1206.568       178.5547 76.56180 8.664827 74.25523 5.727504 2.306572 
10.38670 
1 1 1 -25 -12 5  o 28.02585 7.248154  173.4826       115.0017 72.23186       
193.9341 228.3965       142.8225 25.28601 10.66526 30.76568 9.818106 -5.479671 
14.49631 
1 1 1 -25 -12 6  o 18.33328 6.065157  -108.0546      112.9024 -118.9073      
181.7995 -101.2413      144.0469 19.35948 9.050118 17.30709 8.077121 2.052395 
12.13031 
1 1 1 -25 -12 7  o 27.05509 7.188656  153.2161       118.4575 27.73755       
187.5645 236.4729       152.7833 23.26445 10.16179 30.84573 10.17079 -7.581276 
14.37731 
1 1 1 -25 -12 8  o 34.09105 7.807764  293.4747       126.2201 387.9998       
201.2246 232.1580       162.0679 37.79181 11.58598 30.39028 10.46947 7.401522 
15.61553 
1 1 1 -25 -12 9  f 38.94442 7.459978  366.5186       111.5521 492.4640       
227.9178 326.8442       127.9212 41.59206 12.24144 36.29677 8.529493 5.295296 
14.91996 
1 1 1 -25 -12 10 o 22.80173 6.272889  63.32660       108.9722 -318.0136      
208.8547 205.9739       127.7379 17.12425 8.420749 28.47921 9.299868 -11.35495 
12.54578 
1 1 1 -25 -12 11 o 33.26109 7.260186  278.0343       105.4210 392.3124       
188.9568 226.3879       127.0284 37.06014 11.20049 29.46204 9.240689 7.598099 
14.52037 
1 1 1 -25 -12 12 o 31.12939 6.663205  280.0767       109.9749 75.50255       
188.1358 386.2636       135.5444 23.48271 10.21740 38.77607 8.555575 -15.29336 
13.32641 
1 1 1 -25 -12 13 o 27.82508 7.103366  210.6007       107.8701 269.9138       
156.8024 157.3106       148.6282 30.57842 10.30370 25.07175 9.780847 5.506670 
14.20673 
1 1 1 -25 -12 14 o 26.14632 6.340025  90.61390       110.8035 414.5726       
166.3698 -167.6317      148.5410 37.10662 10.31377 15.18602 7.376296 21.92061 
12.68005 
1 1 1 -25 -12 15 o 23.41853 6.676996  101.2258       123.0076 -156.1749      
188.5804 291.8461       162.2843 17.10565 8.309498 29.73140 10.45377 -12.62575 
13.35399 
1 1 1 -25 -11 1  o 74.50173 5.697433  1277.644       163.7861 1127.627       
284.3498 1352.129       200.3626 70.15189 9.654609 78.85158 6.052397 -8.699692 
11.39487 
1 1 1 -25 -11 2  o 38.53393 7.624704  359.9941       125.8088 363.0697       
205.4529 358.1489       159.1333 38.38904 11.69461 38.67882 9.786750 
-0.2897797     15.24941 
1 1 1 -25 -11 3  o 39.93147 7.183090  404.1547       122.2424 291.6387       
197.2705 474.2915       155.7500 34.74738 11.55707 45.11555 8.533532 -10.36818 
14.36618 
1 1 1 -25 -11 4  o 20.51461 6.570475  -56.58401      120.9392 -87.05300      
191.3342 -36.31111      156.0708 20.94428 9.588417 20.08494 8.985925 0.8593426 
13.14095 
1 1 1 -25 -11 5  o 47.86402 7.098657  583.6202       133.2299 460.3534       
227.3767 648.0683       164.4099 42.03748 12.18051 53.69056 7.293753 -11.65308 
14.19731 
1 1 1 -25 -11 6  o 26.35275 7.252720  129.0926       122.2469 -40.96482      
219.8853 205.1703       147.0710 23.27407 10.52760 29.43143 9.978847 -6.157360 
14.50544 
1 1 1 -25 -11 7  o 32.58129 7.868572  240.5667       123.6797 370.6263       
216.8325 177.8459       150.5770 37.29055 12.11655 27.87203 10.04225 9.418522 
15.73714 
1 1 1 -25 -11 8  o 22.58571 6.886684  -29.93052      104.5799 199.6640       
215.0029 -101.0871      119.6936 29.79423 11.72916 15.37718 7.220282 14.41705 
13.77337 
1 1 1 -25 -11 9  o 21.70585 6.857629  1.577594       111.9725 39.50142       
223.3382 -11.15554      129.4121 24.77512 10.94292 18.63658 8.268064 6.138544 
13.71526 
1 1 1 -25 -11 10 o 28.43369 7.737859  132.3951       111.2217 365.8368       
243.1234 70.61036       125.0771 35.46498 12.76217 21.40240 8.753565 14.06259 
15.47572 
1 1 1 -25 -11 11 o 34.28702 7.607907  269.0964       113.2100 498.0771       
218.6202 185.1948       132.3354 41.41652 11.92525 27.15752 9.450368 14.25900 
15.21581 
1 1 1 -25 -11 12 o 19.99162 6.465374  -12.23339      109.5783 -72.50771      
220.6433 7.499871       126.2479 21.30894 9.964845 18.67430 8.240517 2.634638 
12.93075 
1 1 1 -25 -11 13 o 25.94921 7.185593  157.8341       107.4828 216.6759       
190.8187 130.4892       130.0817 28.18885 11.06485 23.70957 9.170608 4.479275 
14.37119 
1 1 1 -25 -11 14 o 29.64382 7.326267  236.4345       109.8403 366.2681       
184.3214 164.9392       136.7796 34.22179 11.17133 25.06584 9.481466 9.155952 
14.65253 
1 1 1 -25 -11 15 o 45.29142 6.956204  677.1900       134.2849 383.8227       
221.3437 848.0561       168.9232 32.16330 12.08799 58.41954 6.887353 -26.25624 
13.91241 
1 1 1 -25 -11 16 o 31.16044 7.008579  324.6835       137.7538 -13.22859      
220.7995 540.0308       176.2650 20.52096 9.683533 41.79992 10.13459 -21.27896 
14.01716 
1 1 1 -25 -10 1  o 24.81971 7.172265  62.14232       126.3819 -192.9969      
242.8161 156.9420       148.0105 22.01338 10.32680 27.62603 9.956036 -5.612648 
14.34453 
1 1 1 -25 -10 2  o 48.17741 7.030285  582.0309       134.2733 411.9660       
220.1489 682.7713       169.4380 40.78094 12.04001 55.57387 7.262084 -14.79293 
14.06057 
1 1 1 -25 -10 3  o 35.43262 6.965215  320.3664       120.4354 100.6915       
198.2529 448.8492       151.6184 26.92848 11.01832 43.93676 8.523708 -17.00828 
13.93043 
1 1 1 -25 -10 4  o 31.36814 7.843143  209.8167       127.5557 304.8710       
205.0183 149.7835       162.9304 35.30860 11.78184 27.42767 10.35605 7.880928 
15.68629 
1 1 1 -25 -10 5  o 65.77301 5.906035  1008.972       153.5524 916.1747       
256.4567 1060.830       191.7155 62.35509 9.796324 69.19092 6.599777 -6.835823 
11.81207 
1 1 1 -25 -10 6  o 44.63727 7.597371  503.9817       135.6849 483.6559       
234.2857 514.2396       166.4384 42.80873 12.35130 46.46580 8.850167 -3.657063 
15.19474 
1 1 1 -25 -10 7  o 56.44978 5.512392  713.9598       123.1013 783.0643       
216.3898 680.8943       149.6826 57.67139 8.937115 55.22816 6.455527 2.443230 
11.02478 
1 1 1 -25 -10 8  o 34.38560 7.208960  292.1291       105.1968 318.1665       
194.1606 281.3098       125.1589 34.87978 11.46562 33.89143 8.741630 0.9883499 
14.41792 
1 1 1 -25 -10 9  o 34.95879 6.778057  237.5548       105.6077 559.9830       
193.6098 100.9885       126.0036 46.83673 10.13269 23.08084 9.005381 23.75589 
13.55611 
1 1 1 -25 -10 10 o 41.16191 7.031843  417.9152       113.9098 507.7506       
202.7619 376.4872       137.6921 43.36407 11.09204 38.95976 8.646027 4.404305 
14.06369 
1 1 1 -25 -10 11 o 37.86835 7.196636  348.9436       110.9754 504.0114       
198.9893 278.9414       133.6979 42.88654 10.99931 32.85017 9.283394 10.03637 
14.39327 
1 1 1 -25 -10 12 o 27.22026 7.280047  175.2461       107.9974 224.3704       
192.3247 152.6223       130.5180 29.18657 11.18343 25.25396 9.323482 3.932613 
14.56009 
1 1 1 -25 -10 13 o 27.96917 7.224008  120.9059       114.6291 423.5191       
206.1287 -14.57576      137.9224 37.39433 11.77976 18.54400 8.365545 18.85034 
14.44802 
1 1 1 -25 -10 14 o 29.67402 7.582192  258.2008       122.6475 220.0270       
183.6589 288.9276       164.7733 27.97525 10.88097 31.37280 10.56235 -3.397545 
15.16438 
1 1 1 -25 -10 15 o 38.15005 7.278642  443.0839       120.3723 392.2979       
181.4366 483.0120       160.8762 34.96628 11.05667 41.33382 9.469136 -6.367546 
14.55728 
1 1 1 -25 -10 16 o 20.10606 6.297410  51.66774       105.5652 99.12376       
155.3817 10.98515       143.8661 21.65980 9.352629 18.55232 8.435509 3.107485 
12.59482 
1 1 1 -25 -9  1  o 54.89732 6.818138  767.5266       138.8971 492.8301       
231.8689 921.2668       173.4642 44.73641 12.06712 65.05823 6.350806 -20.32182 
13.63628 
1 1 1 -25 -9  2  o 63.85114 5.630577  892.6252       138.0003 949.6116       
254.8862 868.9932       164.1390 64.53100 9.408036 63.17127 6.188896 1.359730 
11.26115 
1 1 1 -25 -9  3  o 25.62737 7.476469  79.07803       127.0744 89.69402       
207.2057 72.67826       160.8805 26.99810 11.18375 24.25663 9.925432 2.741465 
14.95294 
1 1 1 -25 -9  4  o 29.14162 7.385784  165.9550       129.2250 -21.62241      
201.2151 297.6313       168.5870 23.24311 10.31098 35.04013 10.57747 -11.79703 
14.77157 
1 1 1 -25 -9  5  f 25.94328 7.316082  67.19585       126.5031 226.4634       
193.5020 -51.68318      167.1761 31.52818 11.38157 20.35838 9.195657 11.16981 
14.63216 
1 1 1 -25 -9  6  o 22.11198 6.801193  -0.4491897     112.0820 79.51614       
193.1836 -41.02491      137.6108 25.60277 10.71401 18.62120 8.380630 6.981567 
13.60239 
1 1 1 -25 -9  7  o 96.48907 5.371339  2127.333       177.0014 2093.800       
378.1110 2136.744       200.3038 93.74961 9.606627 99.22853 4.808104 -5.478920 
10.74268 
1 1 1 -25 -9  8  o 17.26281 5.801024  -137.6763      106.4943 -139.8078      
186.2004 -136.6401      129.8237 19.13105 8.987975 15.39456 7.336472 3.736483 
11.60205 
1 1 1 -25 -9  9  o 61.58499 5.409202  849.8725       123.9397 939.8061       
241.6308 817.7635       144.3794 62.43369 9.218375 60.73630 5.662104 1.697384 
10.81840 
1 1 1 -25 -9  10 o 46.82462 6.771319  530.9072       125.0032 652.3132       
208.2297 462.5045       156.3000 50.43438 10.19077 43.21486 8.919154 7.219513 
13.54264 
1 1 1 -25 -9  11 o 22.57050 6.709482  71.33269       106.5169 -1.441113      
189.4261 104.9840       128.8110 22.02298 9.875137 23.11801 9.085718 -1.095026 
13.41896 
1 1 1 -25 -9  12 o 32.88456 7.577007  281.8293       115.4948 365.3603       
196.6620 237.8529       142.6942 35.70238 11.53387 30.06673 9.829243 5.635656 
15.15401 
1 1 1 -25 -9  13 o 41.05659 7.688900  464.3009       129.4777 519.8817       
224.2093 436.4910       158.5958 41.49560 12.11863 40.61760 9.466548 0.8780022 
15.37780 
1 1 1 -25 -9  14 o 46.63779 6.426137  585.3656       120.6785 453.8450       
181.3633 689.8631       161.6611 39.73700 10.65146 53.53857 7.192169 -13.80156 
12.85227 
1 1 1 -25 -9  15 o 26.41177 7.151407  187.0229       109.6274 242.9109       
170.6159 147.7246       143.0695 28.57909 10.63806 24.24445 9.560452 4.334635 
14.30281 
1 1 1 -25 -9  16 o 32.90438 7.367819  359.8063       119.9726 269.5868       
192.6655 416.9450       153.3271 28.29455 11.11447 37.51421 9.675102 -9.219660 
14.73564 
1 1 1 -25 -9  17 o 22.74297 6.650699  108.4502       117.0784 -72.20760      
178.0632 246.0309       155.3906 17.97805 8.573558 27.50789 10.16963 -9.529840 
13.30140 
1 1 1 -25 -8  1  o 31.08180 7.750124  212.4791       124.7250 154.6980       
213.4696 242.4283       153.6863 29.79361 11.70048 32.37000 10.16643 -2.576393 
15.50025 
1 1 1 -25 -8  2  o 50.58145 10.82975  614.6083       223.3136 614.6083       
223.3136 0.000000       0.000000 50.58145 10.82975 ?        ?        ? ? 
1 1 1 -25 -8  3  o 23.21618 7.217371  -7.646950      134.5806 -44.13515      
214.0311 16.21353       173.0774 23.49364 10.51668 22.93873 9.887426 0.5549107 
14.43474 
1 1 1 -25 -8  4  o 35.31824 7.178125  303.8487       129.4939 70.85037       
199.5817 473.2487       170.1771 25.94962 10.87621 44.68685 9.370699 -18.73723 
14.35625 
1 1 1 -25 -8  5  o 34.67784 7.914801  286.1915       124.1235 302.8648       
229.7161 279.3162       147.5113 35.32230 12.43561 34.03338 9.794485 1.288918 
15.82960 
1 1 1 -25 -8  6  o 54.50388 5.732929  596.9141       119.3746 888.3260       
235.9973 496.7148       138.3840 61.83057 9.091277 47.17719 6.986743 14.65338 
11.46586 
1 1 1 -25 -8  7  o 35.53721 7.288154  284.4977       106.5882 407.5347       
200.8349 236.2528       125.7613 39.78321 11.42172 31.29121 9.056104 8.491999 
14.57631 
1 1 1 -25 -8  8  o 40.31212 6.930099  448.6460       125.6127 201.4523       
214.9438 576.8532       154.7970 30.24883 11.77005 50.37540 7.319225 -20.12657 
13.86020 
1 1 1 -25 -8  9  o 24.84382 7.066907  109.2670       108.6982 93.37296       
191.9681 116.7678       131.8758 25.49146 10.67467 24.19619 9.263704 1.295267 
14.13381 
1 1 1 -25 -8  10 o 29.18342 7.261324  148.1015       114.4996 384.3276       
197.3919 28.31221       140.5641 37.65480 11.46130 20.71203 8.918854 16.94277 
14.52265 
1 1 1 -25 -8  11 o 31.75595 7.779316  203.7455       125.7410 464.1028       
225.5020 86.26804       151.4757 40.25646 12.24964 23.25545 9.592564 17.00101 
15.55863 
1 1 1 -25 -8  12 o 25.91601 7.297379  135.6464       116.5649 201.9492       
189.5607 95.33103       147.8146 28.56877 11.06622 23.26326 9.515554 5.305511 
14.59476 
1 1 1 -25 -8  13 o 31.33679 7.310148  274.9645       112.8202 212.2624       
196.4026 305.8440       137.8291 28.65720 11.23035 34.01638 9.361212 -5.359180 
14.62030 
1 1 1 -25 -8  14 o 24.44144 7.057388  127.2923       115.3443 92.70643       
173.1819 154.8661       154.6326 23.48175 9.998580 25.40113 9.962695 -1.919373 
14.11478 
1 1 1 -25 -8  15 f 35.15893 7.294999  328.2986       116.3483 538.4697       
193.0480 208.4082       145.8045 42.89919 10.73421 27.41867 9.881541 15.48051 
14.59000 
1 1 1 -25 -8  16 o 19.36302 6.251166  -1.814970      115.2966 -69.93823      
178.4203 47.02861       151.0776 18.46951 8.712334 20.25653 8.966804 -1.787025 
12.50233 
1 1 1 -25 -8  17 o 38.53278 6.988084  469.8555       117.7478 355.8342       
175.0636 564.0507       159.1172 32.21955 10.88717 44.84600 8.763726 -12.62645 
13.97617 
1 1 1 -25 -7  1  o 25.32097 6.652391  111.7903       101.3396 -10.47584      
162.9574 188.8924       129.4059 21.63584 9.460921 29.00611 9.354581 -7.370266 
13.30478 
1 1 1 -25 -7  2  o 43.05864 7.789732  423.9171       142.8498 626.0031       
226.5742 290.5901       184.0354 51.06371 10.89046 35.05357 11.14081 16.01014 
15.57946 
1 1 1 -25 -7  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -25 -7  4  o 42.25809 7.374774  430.5212       128.2573 447.0774       
202.6432 419.4565       165.6609 42.57050 11.19030 41.94567 9.608653 0.6248245 
14.74955 
1 1 1 -25 -7  5  o 46.99941 6.376361  515.3180       112.6979 514.6632       
206.2029 515.5969       134.5753 45.66478 10.89269 48.33404 6.631830 -2.669262 
12.75272 
1 1 1 -25 -7  6  o 107.3475 5.959099  2498.041       208.1986 2864.161       
491.7101 2418.064       229.8163 109.1448 10.73068 105.5502 5.186125 3.594582 
11.91820 
1 1 1 -25 -7  7  o 51.51175 6.001037  607.9749       114.4958 645.4719       
212.7003 592.6768       135.8589 51.26304 10.24518 51.76046 6.251883 
-0.4974251     12.00207 
1 1 1 -25 -7  8  o 27.76716 7.378109  133.1865       111.0651 276.1716       
201.2807 70.59306       133.1745 33.23993 11.64655 22.29438 9.061115 10.94555 
14.75622 
1 1 1 -25 -7  9  o 21.23418 6.664885  -15.54187      111.8496 53.62848       
194.0337 -49.96459      136.8799 24.36256 10.48466 18.10579 8.231323 6.256762 
13.32977 
1 1 1 -25 -7  10 o 26.86314 7.768630  127.7620       138.7021 182.2868       
208.5652 84.52567       185.7243 28.91967 11.49909 24.80661 10.44880 4.113056 
15.53726 
1 1 1 -25 -7  11 o 31.63487 7.142317  246.0542       117.3441 104.6120       
164.4696 392.7045       167.4702 24.51791 10.03447 38.75184 10.16662 -14.23393 
14.28463 
1 1 1 -25 -7  12 o 33.98667 7.908881  250.3334       125.9509 536.3729       
236.3896 136.9394       148.8369 42.83099 12.42253 25.14235 9.791950 17.68865 
15.81776 
1 1 1 -25 -7  13 o 31.83312 7.465459  230.7839       116.5220 451.7776       
202.5415 121.4582       142.4574 39.62204 11.50107 24.04420 9.521437 15.57784 
14.93092 
1 1 1 -25 -7  14 o 26.42851 7.242754  117.6663       116.5574 330.1917       
199.0603 6.784469       143.7836 33.30920 11.59057 19.54782 8.688414 13.76139 
14.48551 
1 1 1 -25 -7  15 f 35.56313 7.068635  377.4358       116.9405 246.5963       
186.1861 462.6775       150.2809 29.17557 11.05446 41.95068 8.812569 -12.77512 
14.13727 
1 1 1 -25 -7  16 o 26.00942 6.820504  167.8854       120.0851 -63.62653      
189.8173 322.3729       155.0586 19.27302 9.060537 32.74583 10.19724 -13.47281 
13.64101 
1 1 1 -25 -7  17 o 28.40462 7.317649  260.7690       113.1112 274.1659       
166.2362 249.2192       154.3510 28.84119 10.53564 27.96804 10.15835 0.8731461 
14.63530 
1 1 1 -25 -6  1  o 30.65459 6.991864  198.6617       101.7348 287.0200       
163.9224 143.3060       129.7465 34.92938 10.40724 26.37980 9.339917 8.549574 
13.98373 
1 1 1 -25 -6  2  o 29.17407 6.391077  108.4571       103.4352 391.8788       
168.0594 -64.37082      131.2361 40.63080 9.923852 17.71735 8.056090 22.91345 
12.78215 
1 1 1 -25 -6  3  o 51.34250 5.770665  533.7070       113.7506 738.3981       
221.0290 459.9615       132.6684 56.94508 9.245153 45.73993 6.908649 11.20515 
11.54133 
1 1 1 -25 -6  4  o 59.04167 6.505982  764.7854       161.2688 0.000000       
0.000000 764.7854       161.2688 ?        ?        59.04167 6.505982 ? ? 
1 1 1 -25 -6  5  o 82.89694 9.610826  1595.863       334.4861 1595.863       
334.4861 0.000000       0.000000 82.89694 9.610826 ?        ?        ? ? 
1 1 1 -25 -6  6  o 26.09853 7.234781  103.6279       106.8613 191.7869       
198.4856 67.64448       126.8082 30.12481 11.41386 22.07226 8.893373 8.052549 
14.46956 
1 1 1 -25 -6  7  o 29.59598 7.448672  173.1791       106.4590 288.1950       
205.1639 130.7996       124.5373 34.15266 11.77815 25.03930 9.121736 9.113363 
14.89734 
1 1 1 -25 -6  8  o 28.91229 6.759820  108.3908       109.6551 402.0018       
183.4016 -54.96589      136.7998 39.75818 10.73557 18.06640 8.217548 21.69178 
13.51964 
1 1 1 -25 -6  9  o 24.76033 7.255394  80.50835       118.9672 137.4543       
200.3770 49.50693       147.8452 27.41890 11.12488 22.10177 9.316659 5.317133 
14.51079 
1 1 1 -25 -6  10 o 44.80770 6.611589  497.8656       120.3587 528.2227       
171.6672 468.5159       168.7950 46.33989 9.149443 43.27552 9.546735 3.064377 
13.22318 
1 1 1 -25 -6  11 o 20.07997 6.442515  -38.85188      118.1330 -97.75402      
183.3900 2.924043       154.4448 19.58166 9.128957 20.57829 9.093194 
-0.9966278     12.88503 
1 1 1 -25 -6  12 o 20.40902 6.527130  -14.80263      111.9506 -43.44353      
207.0177 -2.965085      133.0898 21.81150 9.980517 19.00654 8.414449 2.804964 
13.05426 
1 1 1 -25 -6  13 o 41.07048 7.128237  450.3932       118.4581 448.4871       
200.4686 451.4158       146.8355 39.68389 11.41721 42.45707 8.537824 -2.773186 
14.25647 
1 1 1 -25 -6  14 o 43.95079 6.740747  527.6927       123.5262 372.5388       
185.4167 651.5092       165.6367 35.87097 11.14696 52.03061 7.582612 -16.15965 
13.48149 
1 1 1 -25 -6  15 o 24.68070 6.998557  128.6230       117.7904 15.22956       
176.8596 219.0173       157.9083 21.13753 9.507690 28.22388 10.27244 -7.086344 
13.99711 
1 1 1 -25 -6  16 o 20.51683 6.512692  -6.947983      125.9618 -183.5432      
195.6378 118.0946       164.6237 17.57758 8.515151 23.45608 9.856614 -5.878502 
13.02538 
1 1 1 -25 -6  17 o 21.62632 6.663115  70.88216       117.9738 167.3269       
166.0327 -27.46175      167.6595 24.51248 10.06545 18.74017 8.733559 5.772310 
13.32623 
1 1 1 -25 -6  18 o 29.58018 6.837831  256.6210       117.3781 50.32197       
163.8748 473.9667       168.2052 20.26061 9.130472 38.89975 10.18127 -18.63914 
13.67566 
1 1 1 -25 -5  1  o 53.56376 5.543730  680.1799       112.5442 504.9859       
179.5672 793.5225       144.4322 46.50607 9.525081 60.62144 5.674910 -14.11537 
11.08746 
1 1 1 -25 -5  2  o 23.63777 6.404679  61.02119       102.9525 -124.0732      
162.2729 185.7159       133.1905 18.45212 8.596530 28.82343 9.496280 -10.37131 
12.80936 
1 1 1 -25 -5  3  o 18.97543 6.019082  -51.31792      101.3743 -136.9982      
159.7243 6.477143       131.1825 17.92877 8.404325 20.02210 8.618857 -2.093334 
12.03816 
1 1 1 -25 -5  4  o 59.65149 5.244540  822.5808       122.0851 687.2205       
204.1112 897.9832       152.3400 54.97714 8.843126 64.32584 5.640913 -9.348701 
10.48908 
1 1 1 -25 -5  5  o 63.05320 5.632049  887.5768       139.3235 916.2602       
245.4882 873.9481       169.2158 63.03877 9.275641 63.06763 6.390803 
-0.2885818E-01 11.26410 
1 1 1 -25 -5  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -25 -5  7  f 40.05973 6.760197  414.6525       118.1810 238.0824       
189.5183 527.0014       151.1740 31.77197 11.28416 48.34749 7.447735 -16.57552 
13.52039 
1 1 1 -25 -5  8  o 73.78497 5.118862  1243.844       146.0923 1187.502       
258.1952 1270.377       177.1829 71.46073 8.606008 76.10921 5.545054 -4.648476 
10.23772 
1 1 1 -25 -5  9  o 34.66887 7.053090  269.7972       116.5596 489.7883       
183.2799 120.3958       151.0392 44.18098 10.09717 25.15677 9.850457 19.02421 
14.10618 
1 1 1 -25 -5  10 o 73.95251 4.907116  1254.267       150.3318 1054.277       
215.1100 1445.192       210.1783 67.58753 7.580802 80.31748 6.233025 -12.72995 
9.814232 
1 1 1 -25 -5  11 o 54.39459 5.552287  693.4697       126.2383 693.9307       
187.0123 693.0837       171.1026 54.13202 8.228810 54.65716 7.456424 
-0.5251350     11.10457 
1 1 1 -25 -5  12 o 34.57906 7.543022  339.0475       124.3034 215.6491       
229.8126 390.0792       147.7880 29.91990 12.00669 39.23823 9.133901 -9.318333 
15.08604 
1 1 1 -25 -5  13 o 30.01878 7.211398  150.2057       113.5222 466.1280       
206.4944 13.36477       135.9021 40.42827 11.57325 19.60930 8.606801 20.81898 
14.42280 
1 1 1 -25 -5  14 o 39.32757 7.037396  433.3092       117.4067 344.5516       
188.2098 489.8499       150.2174 34.50328 11.28855 44.15187 8.406455 -9.648590 
14.07479 
1 1 1 -25 -5  15 o 55.22359 6.164008  754.3325       139.3292 869.0454       
228.4210 686.3643       175.8260 57.65914 9.436020 52.78804 7.933569 4.871105 
12.32802 
1 1 1 -25 -5  16 o 39.46035 7.520792  457.4981       126.5100 479.3273       
193.5794 441.2242       167.1422 39.63926 11.16042 39.28144 10.08436 0.3578148 
15.04158 
1 1 1 -25 -5  17 o 21.18349 6.527912  41.76747       115.4406 176.9748       
167.2236 -81.33311      159.5613 25.06596 10.16593 17.30103 8.191972 7.764927 
13.05582 
1 1 1 -25 -5  18 o 16.83579 5.695489  -93.82406      113.7294 -112.4240      
161.9198 -75.71319      159.7770 16.53734 7.955176 17.13423 8.152885 
-0.5968857     11.39098 
1 1 1 -25 -4  1  o 45.38176 6.575493  463.4699       119.5437 590.2382       
190.0965 380.5434       153.7501 50.43773 9.328326 40.32579 9.269884 10.11194 
13.15099 
1 1 1 -25 -4  2  o 18.80491 6.213199  -137.9643      116.8553 -83.58110      
189.7156 -171.2104      148.3340 21.21839 9.658185 16.39142 7.818876 4.826969 
12.42640 
1 1 1 -25 -4  3  o 48.05989 6.892149  552.7866       127.4794 499.9865       
224.0941 578.0479       155.0033 44.96120 11.74415 51.15859 7.216780 -6.197392 
13.78430 
1 1 1 -25 -4  4  o 66.29758 5.050857  957.2237       129.6233 1014.943       
235.9875 932.2852       155.1189 67.05821 8.382202 65.53693 5.637669 1.521278 
10.10171 
1 1 1 -25 -4  5  o 36.02405 6.782485  299.5153       108.4165 445.2961       
163.7640 185.7694       144.6560 43.27861 9.280969 28.76949 9.893028 14.50912 
13.56497 
1 1 1 -25 -4  6  o 26.01001 7.199275  113.8798       111.0066 160.9093       
183.2108 86.60021       139.5354 28.43503 10.90950 23.58499 9.396864 4.850048 
14.39855 
1 1 1 -25 -4  7  o 89.02577 5.382444  1727.877       201.1751 0.000000       
0.000000 1727.877       201.1751 ?        ?        89.02577 5.382444 ? ? 
1 1 1 -25 -4  8  o 60.75485 5.088325  831.0781       126.1589 840.3857       
203.4824 825.2661       160.7934 60.52571 8.007704 60.98399 6.280198 
-0.4582787     10.17665 
1 1 1 -25 -4  9  o 41.10913 7.399138  424.1637       125.2753 456.2614       
204.2582 404.8095       158.6094 41.75632 11.35401 40.46194 9.490803 1.294373 
14.79828 
1 1 1 -25 -4  10 o 64.87249 5.038446  958.2622       136.6071 1082.635       
197.6284 844.4635       189.0408 69.12046 6.810261 60.62452 7.427255 8.495945 
10.07689 
1 1 1 -25 -4  11 o 33.58677 7.280551  297.1422       117.1541 202.4881       
176.5720 371.5802       156.5846 29.04523 10.82004 38.12831 9.744352 -9.083088 
14.56110 
1 1 1 -25 -4  12 o 21.62727 6.731486  21.53068       110.8437 41.14047       
197.7234 12.54343       133.8551 23.62757 10.37589 19.62697 8.578607 4.000599 
13.46297 
1 1 1 -25 -4  13 o 35.03596 7.616296  336.1702       120.3446 335.5121       
204.2721 336.5200       148.9355 34.30354 11.76003 35.76839 9.681612 -1.464859 
15.23259 
1 1 1 -25 -4  14 o 28.39230 7.468277  207.0387       116.7169 230.2212       
188.7931 192.6966       148.4948 29.33975 11.12721 27.44486 9.964230 1.894888 
14.93655 
1 1 1 -25 -4  15 o 31.84437 7.397205  286.2072       127.4527 123.7206       
189.3213 420.8851       172.3609 24.97236 10.53554 38.71638 10.38639 -13.74403 
14.79441 
1 1 1 -25 -4  16 o 21.27587 6.728330  31.63753       123.5484 26.84331       
179.1369 35.98680       170.6216 21.30943 9.577770 21.24230 9.452409 
0.6713295E-01  13.45666 
1 1 1 -25 -4  17 o 23.86050 6.799520  121.8581       116.3027 -28.39150      
170.3689 252.9822       159.1567 19.05451 8.850564 28.66649 10.32480 -9.611988 
13.59904 
1 1 1 -25 -4  18 o 26.04243 7.132948  197.2162       119.6410 325.2679       
170.8932 74.12286       167.5520 30.95371 10.74231 21.13116 9.387150 9.822548 
14.26590 
1 1 1 -25 -3  1  o 26.47871 7.226101  116.8572       117.3367 41.37270       
176.9241 176.1279       156.7754 24.09736 10.17646 28.86006 10.26186 -4.762705 
14.45220 
1 1 1 -25 -3  2  o 26.85372 7.490721  98.73796       120.9378 196.1218       
203.5484 45.60324       150.3535 30.97235 11.60145 22.73509 9.478922 8.237265 
14.98144 
1 1 1 -25 -3  3  o 51.25089 6.783323  644.0168       129.3454 528.6152       
230.7596 696.8840       156.1876 46.12581 11.85361 56.37596 6.598932 -10.25014 
13.56665 
1 1 1 -25 -3  4  o 64.57899 6.026379  907.9051       142.4549 1022.932       
286.7626 870.2183       164.1408 66.07551 10.33720 63.08247 6.197678 2.993042 
12.05276 
1 1 1 -25 -3  5  o 27.13645 7.090331  147.4928       111.1483 59.99789       
173.1739 208.7853       144.9422 24.25547 10.14668 30.01742 9.906363 -5.761951 
14.18066 
1 1 1 -25 -3  6  o 72.59911 4.666163  1091.920       136.7721 1458.100       
236.6476 908.2523       167.5991 80.94200 6.963848 64.25620 6.212660 16.68580 
9.332327 
1 1 1 -25 -3  7  o 28.65391 6.532678  128.2748       104.7457 368.5481       
164.3070 -36.22922      135.9538 38.65755 10.03700 18.65027 8.364335 20.00728 
13.06536 
1 1 1 -25 -3  8  o 45.02258 6.674736  527.4501       120.5179 346.8814       
196.0641 637.1097       152.7918 36.72668 11.47253 53.31849 6.825638 -16.59181 
13.34947 
1 1 1 -25 -3  9  o 28.69358 10.84276  182.6434       178.7248 182.6434       
178.7248 0.000000       0.000000 28.69358 10.84276 ?        ?        ? ? 
1 1 1 -25 -3  10 o 19.60392 6.294649  -48.38446      113.2473 -71.69500      
165.0891 -27.66601      155.6399 19.30603 8.866863 19.90182 8.936954 
-0.5957947     12.58930 
1 1 1 -25 -3  11 o 39.25254 6.860271  403.5355       117.4853 255.7673       
171.0385 535.5375       161.6567 31.53991 10.76128 46.96517 8.511652 -15.42526 
13.72054 
1 1 1 -25 -3  12 o 18.57469 6.153454  -94.62386      111.8445 -73.29716      
198.4252 -104.5548      135.4039 20.81754 9.624087 16.33184 7.670524 4.485703 
12.30691 
1 1 1 -25 -3  13 o 25.26077 6.966934  125.4023       118.9313 -59.50621      
200.3566 226.0043       147.7845 21.02117 9.700114 29.50037 10.00302 -8.479204 
13.93387 
1 1 1 -25 -3  14 o 20.07811 6.388361  -26.60945      118.8286 -196.1508      
199.1165 67.17165       148.0904 18.18109 8.764399 21.97513 9.296772 -3.794039 
12.77672 
1 1 1 -25 -3  15 o 26.20811 7.407712  164.1756       124.7237 122.5974       
185.8409 198.2515       168.2412 24.89660 10.46774 27.51963 10.48443 -2.623034 
14.81542 
1 1 1 -25 -3  16 o 29.09763 7.611042  238.7191       123.0853 304.6819       
188.1422 189.3631       162.7447 31.59027 11.24076 26.60498 10.26437 4.985285 
15.22208 
1 1 1 -25 -3  17 o 17.02074 5.807692  -142.6644      121.7221 -129.2404      
190.3258 -151.9551      158.3372 18.02855 8.660864 16.01293 7.739933 2.015612 
11.61538 
1 1 1 -25 -3  18 o 31.00245 7.739532  327.8088       124.6941 349.1906       
192.8716 312.4534       163.4470 31.25274 11.35501 30.75217 10.51975 0.5005722 
15.47906 
1 1 1 -25 -2  1  o 62.40974 5.806882  870.1367       147.0003 872.0418       
240.2245 868.9962       185.8616 61.96138 9.234585 62.85809 7.042868 
-0.8967171     11.61376 
1 1 1 -25 -2  2  o 57.46702 6.326402  693.2292       139.7986 895.7122       
267.8336 617.4069       163.8964 62.12622 10.26860 52.80782 7.392513 9.318394 
12.65280 
1 1 1 -25 -2  3  o 30.16576 7.730832  196.6035       121.6811 165.4928       
218.6767 210.5565       146.4475 30.04225 11.82826 30.28928 9.957674 
-0.2470303     15.46166 
1 1 1 -25 -2  4  o 33.70386 7.605103  271.5780       118.2755 255.9859       
205.2852 279.3256       144.7073 33.23508 11.75017 34.17263 9.658358 
-0.9375496     15.21021 
1 1 1 -25 -2  5  o 34.89288 7.301687  294.7110       113.3357 301.9606       
176.6818 289.6422       147.7360 35.13522 10.87377 34.65053 9.747806 0.4846840 
14.60337 
1 1 1 -25 -2  6  o 76.21363 4.310409  1271.288       136.2576 1310.708       
210.7499 1242.974       178.6089 76.97787 6.521127 75.44939 5.638565 1.528473 
8.620818 
1 1 1 -25 -2  7  o 35.91311 6.889516  309.4711       106.2810 379.1257       
162.6008 257.5149       140.4322 39.26003 9.868247 32.56619 9.616624 6.693844 
13.77903 
1 1 1 -25 -2  8  f 34.95844 6.994648  299.3522       106.1897 332.9606       
164.4999 275.3420       139.0401 36.42409 10.29869 33.49278 9.467706 2.931309 
13.98930 
1 1 1 -25 -2  9  o 54.12331 5.843318  619.7751       123.4859 944.5817       
220.5855 471.5257       149.0257 63.73130 8.244137 44.51533 8.283217 19.21597 
11.68664 
1 1 1 -25 -2  10 o 54.34944 7.539042  680.5565       172.0245 0.000000       
0.000000 680.5565       172.0245 ?        ?        54.34944 7.539042 ? ? 
1 1 1 -25 -2  11 o 67.64164 5.136621  1026.143       142.7366 1198.207       
232.4734 922.0284       180.8365 71.67030 7.726008 63.61297 6.771137 8.057331 
10.27324 
1 1 1 -25 -2  12 o 21.20112 6.577691  -131.3151      114.4795 203.8528       
202.0109 -289.8752      138.9442 29.16672 11.39782 13.23551 6.569147 15.93121 
13.15538 
1 1 1 -25 -2  13 o 25.16132 7.161492  129.3593       116.3810 55.29111       
201.7938 166.2747       142.4608 23.96002 10.50226 26.36262 9.739120 -2.402596 
14.32298 
1 1 1 -25 -2  14 o 23.41182 7.034941  81.64013       121.9028 -3.708848      
203.7650 129.2139       152.1297 22.22409 10.08744 24.59954 9.808425 -2.375454 
14.06988 
1 1 1 -25 -2  15 o 22.53151 6.882911  46.66119       120.8486 147.2751       
182.6271 -31.71438      161.1857 25.71360 10.55720 19.34943 8.834212 6.364168 
13.76582 
1 1 1 -25 -2  16 o 32.71917 7.778586  321.7607       125.8663 325.3194       
190.8107 319.0194       167.4685 32.53355 11.34526 32.90479 10.64475 
-0.3712349     15.55717 
1 1 1 -25 -2  17 o 32.99634 7.460890  339.7607       121.6281 249.3392       
176.8024 420.9987       167.5839 28.47159 10.77681 37.52109 10.32084 -9.049500 
14.92178 
1 1 1 -25 -2  18 o 21.74439 6.738989  91.52270       117.7712 81.41443       
169.1684 101.0293       164.0564 21.50449 9.507777 21.98429 9.552909 
-0.4798088     13.47798 
1 1 1 -25 -1  1  o 23.15545 6.928768  29.45509       115.7299 79.86641       
176.5318 -8.540266      153.2584 25.34545 10.38834 20.96545 9.171352 4.380001 
13.85754 
1 1 1 -25 -1  2  o 50.14990 6.688625  576.4916       118.7353 604.8185       
240.5159 567.3635       136.5323 49.38605 11.75383 50.91375 6.387362 -1.527695 
13.37725 
1 1 1 -25 -1  3  o 24.78530 7.056901  92.01983       110.8800 -30.58067      
215.7962 135.9982       129.2460 23.82680 10.61560 25.74380 9.300993 -1.917004 
14.11380 
1 1 1 -25 -1  4  o 25.88614 7.067332  123.2597       100.8792 94.07059       
199.6716 133.2639       116.8953 26.65756 11.00669 25.11471 8.868001 1.542852 
14.13466 
1 1 1 -25 -1  5  o 54.35989 5.894607  718.9116       122.1946 508.4076       
189.0270 870.0266       160.1576 45.73187 10.11465 62.98792 6.056356 -17.25604 
11.78921 
1 1 1 -25 -1  6  o 38.42049 6.615696  341.7796       109.5971 529.0800       
168.0175 203.0626       144.5939 47.33029 8.784619 29.51069 9.894453 17.81959 
13.23139 
1 1 1 -25 -1  7  o 81.76814 4.890103  1477.139       158.4665 1557.127       
275.5738 1437.622       193.6949 82.58418 7.948078 80.95210 5.699165 1.632080 
9.780206 
1 1 1 -25 -1  8  o 37.33115 6.706354  357.0121       108.6722 240.2039       
167.0856 442.6508       143.0662 31.37919 10.63620 43.28312 8.171417 -11.90392 
13.41271 
1 1 1 -25 -1  9  o 20.78485 6.381898  15.64295       103.0564 -1.816915      
156.3445 29.05790       137.0429 20.82397 9.182146 20.74573 8.865816 
0.7824135E-01  12.76380 
1 1 1 -25 -1  10 o 56.83448 5.136322  712.7293       120.0316 887.8387       
195.3815 606.5749       152.1240 62.07716 7.496744 51.59180 7.023250 10.48535 
10.27264 
1 1 1 -25 -1  11 o 19.72124 6.319953  -40.94759      113.8732 -78.90167      
168.6593 -9.152253      154.3699 19.20794 8.877269 20.23454 8.997850 -1.026600 
12.63991 
1 1 1 -25 -1  12 o 26.05568 10.94919  115.3209       203.1479 115.3209       
203.1479 0.000000       0.000000 26.05568 10.94919 ?        ?        ? ? 
1 1 1 -25 -1  13 o 26.11303 7.297645  84.66142       119.4496 313.3596       
207.7798 -28.23256      145.9847 33.30761 11.81675 18.91846 8.566618 14.38915 
14.59529 
1 1 1 -25 -1  14 o 29.24834 7.662671  210.3790       122.3023 314.0051       
202.0829 150.4854       153.6331 32.95249 11.65736 25.54418 9.948466 7.408310 
15.32534 
1 1 1 -25 -1  15 o 23.99857 7.175734  99.84461       123.3441 136.2397       
189.3492 73.01687       162.5676 25.47162 10.62973 22.52551 9.642276 2.946106 
14.35147 
1 1 1 -25 -1  16 o 18.04511 6.061978  -115.2295      124.8140 -149.2763      
190.1079 -89.43505      165.4725 18.11564 8.691330 17.97458 8.452874 0.1410618 
12.12396 
1 1 1 -25 -1  17 o 21.38799 6.716284  52.89097       120.3157 79.50864       
175.9826 29.53015       164.8651 22.30509 9.792026 20.47089 9.195115 1.834206 
13.43257 
1 1 1 -25 -1  18 o 25.10366 7.067599  171.5217       119.4924 54.78447       
169.3824 287.1772       168.5957 20.76285 9.323393 29.44448 10.62441 -8.681623 
14.13520 
1 1 1 -25 0   1  o 44.47890 7.191615  480.2104       128.2056 452.6742       
210.8230 496.3692       161.4995 42.73060 11.49763 46.22720 8.641864 -3.496601 
14.38323 
1 1 1 -25 0   2  o 38.05477 7.805595  325.7596       117.6755 422.9419       
241.1097 295.3724       134.8235 40.81430 12.71695 35.29524 9.054749 5.519066 
15.61119 
1 1 1 -25 0   3  o 26.51435 7.001896  126.4045       98.39056 193.4462       
177.7826 96.80444       118.1309 29.88138 10.89737 23.14733 8.795082 6.734047 
14.00379 
1 1 1 -25 0   4  o 65.95589 4.696657  951.0955       123.5022 995.1389       
212.0909 928.4991       151.9152 66.59486 7.585815 65.31692 5.539833 1.277946 
9.393313 
1 1 1 -25 0   5  o 29.86727 6.990807  204.6301       109.5897 90.10596       
164.8634 295.2970       146.6899 24.85109 10.08791 34.88345 9.680885 -10.03236 
13.98161 
1 1 1 -25 0   6  o 17.38991 5.748908  -116.3657      105.0147 -151.6243      
157.1574 -87.92198      141.1547 17.21583 8.141436 17.56399 8.118917 
-0.3481579     11.49782 
1 1 1 -25 0   7  o 57.27837 4.872865  735.9962       115.0781 731.3923       
179.6739 739.1983       149.8466 56.76855 7.538732 57.78820 6.176306 -1.019646 
9.745729 
1 1 1 -25 0   8  o 36.66753 5.771837  357.8062       103.7083 39.20456       
163.3371 573.0020       134.2387 22.60796 9.670909 50.72709 6.303168 -28.11914 
11.54367 
1 1 1 -25 0   9  o 22.16846 6.596021  48.26161       103.8074 84.88548       
157.7851 20.31168       137.8397 23.89327 9.811912 20.44364 8.817958 3.449638 
13.19204 
1 1 1 -25 0   10 o 17.87486 5.821728  -83.27185      103.7397 -174.3280      
157.1677 -12.97367      138.0959 16.51735 7.919205 19.23236 8.535589 -2.715006 
11.64346 
1 1 1 -25 0   11 o 18.62716 5.945305  -54.94449      103.5834 -172.2750      
156.7275 36.05608       138.0263 16.44616 7.890635 20.80816 8.895194 -4.361994 
11.89061 
1 1 1 -25 0   12 o 39.34706 7.652043  411.3869       124.8701 438.6075       
221.5492 398.7139       151.1686 39.09092 12.19225 39.60320 9.250091 
-0.5122795     15.30409 
1 1 1 -25 0   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -25 0   14 o 21.35997 6.753541  13.57710       121.0324 4.708999       
197.8303 18.88206       153.0093 22.16506 10.00795 20.55487 9.070960 1.610188 
13.50708 
1 1 1 -25 0   15 o 24.55751 7.132069  93.88816       123.1907 237.2242       
185.3056 -19.62999      164.9086 29.27480 11.04699 19.84022 9.023843 9.434582 
14.26414 
1 1 1 -25 0   16 o 45.84275 6.915906  594.4901       132.0078 419.7759       
194.8459 742.7250       179.4744 36.95365 11.41551 54.73186 7.810583 -17.77821 
13.83181 
1 1 1 -25 0   17 o 28.91089 7.610687  254.6149       124.1671 305.4159       
182.5046 210.8361       169.4219 30.91726 11.06406 26.90452 10.45356 4.012735 
15.22137 
1 1 1 -25 0   18 o 36.13830 7.756689  435.3786       130.0941 504.4654       
184.1784 366.5874       183.7839 39.65480 10.78101 32.62180 11.15503 7.032997 
15.51338 
1 1 1 -25 1   1  o 30.77722 7.659476  173.6365       123.0949 350.7150       
208.3275 78.65073       152.5783 37.57761 11.84340 23.97684 9.716181 13.60077 
15.31895 
1 1 1 -25 1   2  o 44.98464 7.577994  514.4021       134.3824 419.1086       
253.8436 551.5074       158.3991 40.35781 13.10992 49.61147 7.604867 -9.253666 
15.15599 
1 1 1 -25 1   3  o 59.97906 6.275239  841.7566       131.5249 815.0862       
258.9865 851.0256       152.6788 57.55007 11.11568 62.40805 5.827191 -4.857979 
12.55048 
1 1 1 -25 1   4  o 64.42113 4.948071  919.5800       130.6040 948.5736       
209.7131 901.2102       166.9271 64.85156 7.702401 63.99070 6.213426 0.8608665 
9.896143 
1 1 1 -25 1   5  o 47.34504 6.198048  539.5526       117.0087 448.9145       
180.7346 604.9543       153.5255 42.67098 10.21009 52.01910 7.029734 -9.348114 
12.39610 
1 1 1 -25 1   6  o 30.15066 6.663409  217.9245       93.64372 207.0872       
133.6347 228.3804       131.2617 29.51163 9.505055 30.78969 9.341200 -1.278057 
13.32682 
1 1 1 -25 1   7  o 32.05914 6.708437  224.5460       105.3896 407.7655       
161.7483 89.37910       138.9278 40.69074 9.609954 23.42753 9.362761 17.26321 
13.41687 
1 1 1 -25 1   8  o 22.18448 6.634378  46.58535       105.6574 56.86781       
161.2596 38.85090       139.8594 23.07099 9.727919 21.29797 9.023719 1.773016 
13.26876 
1 1 1 -25 1   9  o 24.32447 6.862692  104.4893       106.3956 69.66426       
161.2827 131.3215       141.5696 23.41525 9.793454 25.23370 9.616362 -1.818455 
13.72538 
1 1 1 -25 1   10 o 54.47578 4.541312  670.1761       103.5487 658.2065       
151.4254 680.6896       141.9165 53.85283 6.697477 55.09873 6.134971 -1.245899 
9.082624 
1 1 1 -25 1   11 o 28.98624 7.155651  208.1715       106.5868 216.6012       
162.6287 201.8239       141.1218 29.42928 10.45294 28.54320 9.774937 0.8860798 
14.31130 
1 1 1 -25 1   12 o 26.70455 7.050187  167.4331       105.5762 173.5362       
159.4178 162.6652       140.9049 27.12369 10.24306 26.28541 9.690211 0.8382835 
14.10037 
1 1 1 -25 1   13 o 33.33439 6.798686  323.2443       108.5629 139.7713       
206.5267 393.2987       127.6167 26.56778 11.09522 40.10100 7.860322 -13.53322 
13.59737 
1 1 1 -25 1   14 o 45.37603 9.302090  534.3365       171.1092 0.000000       
0.000000 534.3365       171.1092 ?        ?        45.37603 9.302090 ? ? 
1 1 1 -25 1   15 o 18.37370 6.117113  -115.0414      121.8818 -23.06385      
183.7152 -187.3495      162.8913 20.62131 9.421775 16.12610 7.804258 4.495209 
12.23423 
1 1 1 -25 1   16 o 24.15525 7.201707  115.7065       124.3640 164.9865       
186.9953 76.62173       166.5325 25.90903 10.66768 22.40147 9.677759 3.507563 
14.40341 
1 1 1 -25 1   17 o 27.93326 7.572451  230.7036       126.6147 309.6663       
184.7126 160.7175       173.8968 30.96981 11.12600 24.89672 10.27522 6.073092 
15.14490 
1 1 1 -25 1   18 o 30.24594 7.700136  310.9553       125.1770 309.8090       
177.8697 312.0801       176.1964 30.16477 10.90990 30.32710 10.86934 
-0.1623230     15.40027 
1 1 1 -25 2   1  o 43.32307 6.588129  443.8270       112.9361 464.2632       
187.2220 432.1373       141.5994 43.52277 10.37768 43.12337 8.118966 0.3994026 
13.17626 
1 1 1 -25 2   2  o 32.29490 7.900035  220.1563       123.4330 342.9240       
221.7710 165.0565       148.5722 36.92712 12.25376 27.66267 9.974350 9.264454 
15.80007 
1 1 1 -25 2   3  o 69.86542 4.575569  1066.801       129.8745 1130.502       
214.5600 1029.965       163.1605 71.07561 7.190335 68.65524 5.660600 2.420372 
9.151137 
1 1 1 -25 2   4  o 35.35497 7.028802  296.3690       111.6888 417.2776       
167.9718 200.5462       149.5347 41.30928 9.816858 29.40067 10.06208 11.90861 
14.05760 
1 1 1 -25 2   5  o 22.67697 6.628840  47.63928       107.9157 -50.36189      
161.9142 125.9695       144.7551 19.92469 9.022099 25.42925 9.714311 -5.504568 
13.25768 
1 1 1 -25 2   6  o 38.32368 6.771065  368.1533       109.5250 299.8782       
164.7608 422.2119       146.6071 34.60184 10.45908 42.04553 8.602153 -7.443691 
13.54213 
1 1 1 -25 2   7  o 25.11346 6.736212  126.1067       100.5248 53.80139       
161.8707 171.4982       128.2538 23.02795 9.729817 27.19897 9.318629 -4.171022 
13.47242 
1 1 1 -25 2   8  o 41.12568 6.002928  401.0977       102.1705 304.5490       
139.7185 512.0647       149.7883 35.01906 9.331783 47.23230 7.553701 -12.21324 
12.00586 
1 1 1 -25 2   9  o 24.92072 6.948298  109.2440       107.4130 174.0800       
163.4415 59.95094       142.5105 27.73458 10.39442 22.10686 9.223417 5.627718 
13.89660 
1 1 1 -25 2   10 o 22.10525 6.635653  51.66342       106.8680 31.39293       
163.3233 66.84036       141.3215 21.99850 9.544886 22.21199 9.220778 
-0.2134895     13.27131 
1 1 1 -25 2   11 o 18.92888 5.861109  -93.28063      106.1510 -366.2899      
161.7287 113.3454       140.6990 13.83615 6.897298 24.02162 9.478274 -10.18548 
11.72222 
1 1 1 -25 2   12 o 23.59134 6.699458  99.68641       104.7059 25.69258       
159.7142 155.4583       138.6607 21.35811 9.352669 25.82457 9.594713 -4.466461 
13.39892 
1 1 1 -25 2   13 o 20.76974 6.383849  14.73733       104.0995 98.60576       
160.9868 -45.53160      136.4702 23.75777 9.850650 17.78171 8.122734 5.976053 
12.76770 
1 1 1 -25 2   14 o 34.36084 6.622895  285.9288       107.6850 522.6833       
168.8313 123.5541       139.8179 44.80708 9.287123 23.91460 9.444592 20.89248 
13.24579 
1 1 1 -25 2   15 o 22.16196 6.901800  48.07545       124.5979 40.63258       
187.0727 54.00964       167.0402 22.34190 9.922719 21.98203 9.595780 0.3598690 
13.80360 
1 1 1 -25 2   16 o 33.57206 11.60064  357.0321       199.1097 357.0321       
199.1097 0.000000       0.000000 33.57206 11.60064 ?        ?        ? ? 
1 1 1 -25 2   17 o 28.22175 7.341434  237.8057       123.4314 113.6806       
181.4767 344.6559       168.3754 23.31272 10.08744 33.13079 10.66912 -9.818066 
14.68287 
1 1 1 -25 2   18 o 24.28783 6.943834  131.8435       120.8953 304.6193       
175.2215 -25.13101      167.0169 29.94680 10.82864 18.62886 8.695274 11.31794 
13.88767 
1 1 1 -25 3   1  o 25.85488 7.524397  93.30556       123.6828 107.9488       
223.0908 86.80743       148.6132 27.76158 11.55865 23.94817 9.636588 3.813408 
15.04879 
1 1 1 -25 3   2  o 42.55934 7.604916  448.0465       130.2360 465.8055       
228.4052 439.4909       158.5328 42.29961 12.19236 42.81907 9.093153 
-0.5194626     15.20983 
1 1 1 -25 3   3  o 40.88307 6.238691  371.8248       107.2015 597.9757       
170.4382 223.7951       137.8930 51.22343 7.925367 30.54271 9.637097 20.68073 
12.47738 
1 1 1 -25 3   4  o 50.65210 5.966721  605.4047       121.3748 553.7708       
184.6422 644.6932       161.0633 47.79229 9.539939 53.51192 7.169143 -5.719631 
11.93344 
1 1 1 -25 3   5  o 24.79208 6.457624  111.3655       94.75705 18.18764       
133.5903 205.7140       134.4270 20.24352 8.705581 29.34064 9.540257 -9.097118 
12.91525 
1 1 1 -25 3   6  o 29.93839 7.226646  216.2707       109.1477 193.4821       
166.5997 233.4075       144.4710 29.00678 10.55194 30.86999 9.876950 -1.863214 
14.45329 
1 1 1 -25 3   7  o 19.91401 6.263327  -29.90275      105.6505 39.91630       
159.8672 -84.03934      140.7725 22.36240 9.566807 17.46561 8.086609 4.896784 
12.52665 
1 1 1 -25 3   8  o 21.25045 6.504693  16.24820       106.8086 66.25381       
161.0529 -23.01334      142.7062 23.25383 9.759327 19.24708 8.602304 4.006746 
13.00939 
1 1 1 -25 3   9  o 29.62831 7.166336  207.0221       107.9928 291.5326       
165.5182 144.3802       142.5028 33.50398 10.55608 25.75264 9.695083 7.751335 
14.33267 
1 1 1 -25 3   10 o 29.39015 7.225142  208.6296       109.3545 275.9202       
166.3315 157.4008       145.1290 32.47054 10.61217 26.30976 9.807783 6.160770 
14.45028 
1 1 1 -25 3   11 o 49.37555 6.006175  613.9715       116.6875 467.0499       
176.1809 728.7850       155.7444 42.29226 10.05607 56.45885 6.570547 -14.16659 
12.01235 
1 1 1 -25 3   12 o 26.45867 6.976771  167.5006       104.2423 141.3711       
161.3920 186.2040       136.5453 25.59768 10.13515 27.31966 9.590629 -1.721973 
13.95354 
1 1 1 -25 3   13 o 44.79081 6.406207  553.8816       116.0655 323.5563       
180.3806 716.6198       151.6225 33.87362 11.05126 55.70801 6.482868 -21.83439 
12.81241 
1 1 1 -25 3   14 o 36.01968 7.018935  359.5187       111.0275 302.0404       
166.5334 405.5092       148.9647 32.72947 10.61768 39.30989 9.182953 -6.580425 
14.03787 
1 1 1 -25 3   15 f 25.11164 6.874435  125.7184       107.6420 261.8897       
166.4936 27.92118       141.0970 30.26922 10.59368 19.95406 8.763867 10.31516 
13.74887 
1 1 1 -25 3   16 o 22.75075 7.004022  82.68812       125.0544 73.33138       
184.2769 90.67562       170.2607 22.69763 9.991892 22.80387 9.817709 
-0.1062412     14.00804 
1 1 1 -25 3   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -25 3   18 o 19.77972 6.391433  13.86246       120.6163 78.69705       
172.4307 -48.25749      168.7823 21.40921 9.515234 18.15024 8.535922 3.258974 
12.78287 
1 1 1 -25 4   1  o 26.46019 7.395720  1.577742       125.1824 332.3106       
229.6881 -138.1728      149.3058 36.01297 12.45812 16.90742 7.973825 19.10555 
14.79144 
1 1 1 -25 4   2  o 30.17119 7.599091  216.3931       126.8873 70.84580       
228.6214 281.1855       152.5376 26.60332 11.41274 33.73906 10.03663 -7.135744 
15.19818 
1 1 1 -25 4   3  o 27.44700 7.196317  161.9686       111.9275 113.9032       
166.4257 201.6629       151.2406 25.61211 10.24265 29.28189 10.11118 -3.669786 
14.39263 
1 1 1 -25 4   4  o 39.74447 6.884880  398.7803       114.8788 323.7794       
172.2079 458.9195       154.2051 35.72609 10.67157 43.76284 8.701950 -8.036751 
13.76976 
1 1 1 -25 4   5  f 25.17885 6.659331  131.0855       95.32373 110.8528       
134.1924 151.6939       135.4323 24.12056 9.317523 26.23714 9.516856 -2.116583 
13.31866 
1 1 1 -25 4   6  o 26.18192 6.915239  120.1810       107.1801 247.9274       
163.8776 24.69271       141.6839 31.53082 10.53360 20.83302 8.962446 10.69780 
13.83048 
1 1 1 -25 4   7  o 35.15341 6.905720  314.4557       104.7831 294.0529       
167.1566 327.6625       134.4863 33.81239 10.59926 36.49443 8.855032 -2.682034 
13.81144 
1 1 1 -25 4   8  o 38.42771 6.943139  363.6959       113.4461 496.0999       
175.2149 268.1256       148.8614 44.40797 9.667121 32.44745 9.968724 11.96051 
13.88628 
1 1 1 -25 4   9  o 18.20372 5.907140  -65.56028      99.92216 -15.22823      
160.8410 -97.19543      127.5145 20.40181 9.125097 16.00564 7.503988 4.396173 
11.81428 
1 1 1 -25 4   10 o 40.52307 6.576294  436.8088       114.5858 272.1233       
175.7621 558.5437       151.1141 32.05922 10.90886 48.98692 7.347606 -16.92770 
13.15259 
1 1 1 -25 4   11 o 20.49421 6.268878  23.44308       101.6562 -51.98272      
159.5206 75.01833       131.9100 19.13050 8.756804 21.85793 8.972944 -2.727428 
12.53776 
1 1 1 -25 4   12 o 24.70325 6.894596  124.4806       104.9601 171.3736       
161.9423 90.51311       137.8284 26.78711 10.26268 22.61938 9.209733 4.167730 
13.78919 
1 1 1 -25 4   13 o 28.45161 6.666415  208.9519       94.31204 259.1043       
135.1098 161.2918       131.7099 31.23399 9.477363 25.66924 9.377844 5.564753 
13.33283 
1 1 1 -25 4   14 o 21.63482 6.334401  18.29297       98.08735 202.5603       
161.6194 -89.15504      123.4151 27.71276 10.34619 15.55688 7.311290 12.15588 
12.66880 
1 1 1 -25 4   15 o 48.72762 5.254530  579.2057       107.2284 555.2682       
154.3059 601.5597       149.1151 47.46303 7.743692 49.99220 7.104616 -2.529171 
10.50906 
1 1 1 -25 4   16 o 34.77904 6.828920  354.8155       104.0412 302.4103       
171.8727 385.1252       130.7102 31.37016 10.78398 38.18792 8.381077 -6.817760 
13.65784 
1 1 1 -25 4   17 o 18.96990 6.031194  18.63779       100.7487 36.85833       
145.3684 1.796667       139.7575 19.61341 8.726320 18.32638 8.327816 1.287025 
12.06239 
1 1 1 -25 4   18 o 21.75560 9.639784  90.46040       175.1801 0.000000       
0.000000 90.46040       175.1801 ?        ?        21.75560 9.639784 ? ? 
1 1 1 -25 5   1  o 59.17876 5.949018  783.0685       137.2774 904.3501       
250.4487 730.9813       164.1297 61.35833 9.722240 56.99918 6.858667 4.359142 
11.89804 
1 1 1 -25 5   2  o 49.14384 5.907278  563.4606       113.5749 582.1998       
190.6025 553.1439       141.4243 48.69481 9.666771 49.59287 6.792441 
-0.8980560     11.81456 
1 1 1 -25 5   3  o 31.78049 7.340729  245.3308       113.6864 311.7175       
169.1234 190.6035       153.5553 34.97953 10.60133 28.58145 10.15662 6.398085 
14.68146 
1 1 1 -25 5   4  o 28.60111 7.258777  191.4030       112.0589 153.0061       
169.2267 221.3871       149.5430 27.10262 10.46462 30.09960 10.06236 -2.996986 
14.51755 
1 1 1 -25 5   5  o 29.01366 6.637976  198.5255       97.20274 111.7109       
137.5195 285.2037       137.4114 24.18200 9.413463 33.84532 9.361497 -9.663322 
13.27595 
1 1 1 -25 5   6  o 67.04577 4.453249  975.0756       119.3669 1120.744       
207.8325 903.3711       145.8156 70.10328 7.061487 63.98826 5.427810 6.115017 
8.906498 
1 1 1 -25 5   7  o 43.47604 6.543023  434.8650       117.0596 656.4688       
191.9151 303.5713       147.7212 52.43494 8.717852 34.51712 9.759286 17.91782 
13.08605 
1 1 1 -25 5   8  o 23.35806 6.696995  77.61655       108.4288 -27.02155      
162.8285 160.9850       145.3404 20.18115 9.097606 26.53498 9.830186 -6.353828 
13.39399 
1 1 1 -25 5   9  o 45.26590 6.445199  520.8164       118.1287 430.4823       
180.5937 588.3717       156.1730 40.26751 10.55430 50.26428 7.400613 -9.996769 
12.89040 
1 1 1 -25 5   10 o 26.59358 6.011858  129.6050       94.43600 327.2388       
136.0905 -53.94443      131.1517 35.86805 9.035479 17.31910 7.932835 18.54895 
12.02372 
1 1 1 -25 5   11 o 26.14283 7.053627  147.5897       109.3131 227.8937       
164.5537 84.16127       146.2451 29.53734 10.51228 22.74833 9.407793 6.789007 
14.10725 
1 1 1 -25 5   12 o 24.45115 6.232494  20.34410       93.62576 335.3002       
166.0836 -126.3685      113.3537 34.86753 10.49328 14.03477 6.728081 20.83276 
12.46499 
1 1 1 -25 5   13 o 47.94590 6.076615  587.6299       115.6799 524.6032       
180.6774 631.4151       150.5933 44.13059 9.983912 51.76120 6.929826 -7.630615 
12.15323 
1 1 1 -25 5   14 o 25.05476 6.638530  134.5298       107.8089 -26.25117      
163.5566 258.0571       143.3614 19.52526 8.908954 30.58426 9.844333 -11.05900 
13.27706 
1 1 1 -25 5   15 o 21.35907 6.472274  61.87556       106.7555 -10.49852      
164.9265 114.0667       140.0546 19.75931 8.997004 22.95882 9.306731 -3.199514 
12.94455 
1 1 1 -25 5   16 o 23.19494 6.496738  59.27649       106.6814 286.5278       
164.5968 -105.3403      140.0894 30.48329 10.54606 15.90659 7.590190 14.57670 
12.99348 
1 1 1 -25 5   17 o 20.10163 6.151452  57.72778       96.52270 4.387897       
132.2876 118.4543       141.1505 17.94648 8.139186 22.25678 9.225785 -4.310307 
12.30290 
1 1 1 -25 5   18 o 22.50493 6.582597  68.31774       109.8391 284.3525       
171.4693 -82.01754      143.0392 28.85896 10.68007 16.15090 7.697945 12.70806 
13.16519 
1 1 1 -25 6   1  o 25.62586 7.264785  108.9749       127.8999 -95.25536      
232.6505 197.4332       153.1133 22.45076 10.39516 28.80096 10.15131 -6.350203 
14.52957 
1 1 1 -25 6   2  o 36.23067 6.952023  352.2777       122.1636 135.5947       
192.8425 497.5223       157.8848 27.02031 10.93402 45.44102 8.588927 -18.42071 
13.90405 
1 1 1 -25 6   3  o 53.28671 6.018777  689.5242       126.3401 489.1133       
179.8322 884.8447       177.5337 44.03850 9.958774 62.53490 6.762065 -18.49640 
12.03755 
1 1 1 -25 6   4  o 29.05537 7.074033  198.2870       114.1666 66.58687       
172.5291 300.8780       152.2733 23.73620 10.03784 34.37455 9.970430 -10.63835 
14.14807 
1 1 1 -25 6   5  o 15.27672 5.143770  -178.3270      94.56430 -318.4706      
134.9615 -43.16832      132.5396 12.64421 6.302785 17.90923 8.130705 -5.265022 
10.28754 
1 1 1 -25 6   6  o 38.94349 6.895449  397.0939       116.2856 273.4870       
171.0999 503.1989       158.5244 32.44932 10.76321 45.43767 8.622193 -12.98835 
13.79090 
1 1 1 -25 6   7  o 32.65000 7.096755  275.2672       105.2702 268.9378       
171.7549 279.0756       133.2275 32.08382 10.78379 33.21618 9.228518 -1.132359 
14.19351 
1 1 1 -25 6   8  o 20.08821 6.046483  15.69032       94.16872 -74.21236      
135.2887 100.1853       131.1567 17.10662 7.923131 23.06979 9.135853 -5.963171 
12.09297 
1 1 1 -25 6   9  o 30.55809 7.296878  243.1486       110.7533 248.1242       
166.3597 239.1878       148.4274 30.74702 10.60575 30.36916 10.02476 0.3778591 
14.59376 
1 1 1 -25 6   10 o 24.17603 6.507465  36.92777       109.4333 285.7886       
164.7837 -159.4265      146.3714 32.51810 10.56268 15.83397 7.603829 16.68414 
13.01493 
1 1 1 -25 6   11 o 55.92365 4.724272  723.7657       109.1068 571.8410       
150.1745 893.6132       158.7859 49.22973 7.265909 62.61756 6.039997 -13.38783 
9.448545 
1 1 1 -25 6   12 o 18.59374 6.011137  -52.94884      105.2333 23.98601       
158.8277 -113.1501      140.4971 20.93574 9.240067 16.25175 7.691310 4.683990 
12.02227 
1 1 1 -25 6   13 o 17.26378 5.746045  -97.04516      105.6963 -57.10132      
160.8428 -127.4044      140.2238 18.68087 8.647207 15.84669 7.569275 2.834178 
11.49209 
1 1 1 -25 6   14 o 38.81288 6.866694  417.9607       111.2709 394.4035       
171.3000 435.1555       146.3506 36.93515 10.53068 40.69062 8.815369 -3.755470 
13.73339 
1 1 1 -25 6   15 o 27.14163 7.177384  208.2734       110.4656 185.7326       
172.4408 223.9612       143.8589 26.22569 10.44711 28.05756 9.844651 -1.831869 
14.35477 
1 1 1 -25 6   16 o 20.38287 6.394040  44.77942       107.6183 81.44551       
165.8143 18.09281       141.4609 21.80017 9.538047 18.96558 8.518254 2.834587 
12.78808 
1 1 1 -25 6   17 o 26.81732 6.673800  156.2893       111.1636 426.1866       
171.5692 -38.99630      145.9403 36.28790 10.60203 17.34674 8.108968 18.94116 
13.34760 
1 1 1 -25 7   1  o 22.87848 7.108488  -46.75745      125.1553 180.7970       
225.8613 -147.5900      150.3486 29.20680 11.82723 16.55015 7.889174 12.65664 
14.21698 
1 1 1 -25 7   2  o 39.53879 6.845138  411.8335       111.9739 329.4258       
184.5675 459.8310       140.8577 35.20367 11.15369 43.87392 7.938437 -8.670250 
13.69028 
1 1 1 -25 7   3  o 49.91944 5.396925  568.7973       109.8207 624.7748       
180.8683 536.1082       138.2158 51.32139 8.394313 48.51748 6.785479 2.803909 
10.79385 
1 1 1 -25 7   4  o 28.92033 5.614378  184.2159       91.81411 -48.58121      
135.7035 380.7429       124.6847 17.91803 8.159277 39.92262 7.714348 -22.00459 
11.22876 
1 1 1 -25 7   5  o 37.59536 6.762658  345.2606       112.0978 538.7726       
171.9855 202.3322       147.8077 46.56256 9.123135 28.62816 9.985119 17.93441 
13.52532 
1 1 1 -25 7   6  o 27.47645 7.112640  150.4929       112.2944 297.3752       
173.9738 45.59363       147.0231 33.39999 10.85323 21.55291 9.195981 11.84708 
14.22528 
1 1 1 -25 7   7  o 81.13555 4.677192  1546.460       152.1762 1323.676       
241.7051 1692.761       195.8702 74.99753 7.676440 87.27357 5.345725 -12.27605 
9.354384 
1 1 1 -25 7   8  o 27.74130 7.120099  183.7622       104.4790 223.6540       
171.2920 160.1285       131.8443 29.51904 10.70332 25.96357 9.392670 3.555470 
14.24020 
1 1 1 -25 7   9  o 23.86149 6.909178  102.6334       109.6316 113.7962       
165.7363 93.94917       146.1830 24.58580 10.06945 23.13718 9.463255 1.448616 
13.81836 
1 1 1 -25 7   10 o 20.97513 6.439337  34.76670       102.6195 57.91258       
165.6011 20.33797       130.7496 22.45423 9.674973 19.49603 8.500302 2.958199 
12.87867 
1 1 1 -25 7   11 o 21.59026 6.584377  51.29787       107.8003 53.25179       
164.7365 49.83458       142.5618 22.13096 9.593984 21.04957 9.020618 1.081388 
13.16875 
1 1 1 -25 7   12 o 27.14129 6.770697  191.8892       96.28870 181.6706       
139.5764 201.1685       133.0066 26.61842 9.660752 27.66417 9.488899 -1.045752 
13.54139 
1 1 1 -25 7   13 o 35.50009 7.238429  361.8979       114.4582 325.5366       
179.1882 386.9592       148.7618 33.15449 11.01467 37.84570 9.394487 -4.691204 
14.47686 
1 1 1 -25 7   14 o 43.13654 6.569993  473.4287       111.3301 631.1023       
191.0944 392.4150       136.9771 47.77797 9.863103 38.49510 8.682076 9.282871 
13.13999 
1 1 1 -25 7   15 o 20.74082 6.471366  48.05444       109.3218 78.42954       
166.5632 25.06689       144.8994 21.96948 9.586260 19.51216 8.695857 2.457319 
12.94273 
1 1 1 -25 7   16 o 25.03161 6.675901  181.1479       102.5291 80.48351       
168.1154 240.7630       129.3743 21.59659 9.522346 28.46662 9.359248 -6.870031 
13.35180 
1 1 1 -25 7   17 o 17.19911 5.598365  -40.37025      100.1703 -219.4561      
168.2788 57.91217       124.6627 15.16222 7.467854 19.23600 8.342537 -4.073785 
11.19673 
1 1 1 -25 8   1  o 25.92983 6.435486  128.3923       106.2005 -87.39573      
164.8509 281.4864       138.8535 18.70446 8.694933 33.15520 9.489997 -14.45074 
12.87097 
1 1 1 -25 8   2  o 19.36826 6.003435  -22.45575      98.47691 79.05223       
140.5198 -120.4239      138.0479 22.55162 9.260008 16.18490 7.643114 6.366724 
12.00687 
1 1 1 -25 8   3  o 25.44402 6.841883  82.52112       114.2417 283.6499       
171.6243 -77.50130      153.0848 32.68896 10.77969 18.19907 8.428742 14.48989 
13.68377 
1 1 1 -25 8   4  o 20.31729 6.413232  -8.844780      110.4745 9.982894       
168.1079 -23.15652      146.5669 21.40232 9.468302 19.23227 8.652714 2.170053 
12.82646 
1 1 1 -25 8   5  o 39.28191 6.706338  372.5421       106.0862 502.7950       
179.8878 303.0858       131.3604 43.99236 9.968587 34.57145 8.973694 9.420906 
13.41268 
1 1 1 -25 8   6  f 26.57044 6.827267  154.7950       109.9349 10.05270       
166.2060 267.3722       146.5798 21.20994 9.394876 31.93095 9.908712 -10.72101 
13.65453 
1 1 1 -25 8   7  o 17.19667 5.760320  -125.8889      110.8262 -154.4993      
167.2525 -103.4935      147.9758 17.27845 8.256386 17.11489 8.034751 0.1635647 
11.52064 
1 1 1 -25 8   8  o 25.69901 6.920117  106.0087       113.5625 287.6338       
172.4803 -32.97600      150.8813 32.37391 10.80654 19.02410 8.647009 13.34981 
13.84023 
1 1 1 -25 8   9  o 31.86681 6.650856  267.4705       97.72414 199.9771       
138.5495 334.2926       137.8587 27.87741 9.672688 35.85622 9.130972 -7.978811 
13.30171 
1 1 1 -25 8   10 o 23.31627 6.763872  94.31451       110.1216 14.81498       
164.9047 158.3010       147.9432 20.93310 9.304398 25.69943 9.819777 -4.766331 
13.52774 
1 1 1 -25 8   11 o 23.40388 6.856748  102.9857       110.3072 78.61599       
168.9294 121.1001       145.6439 22.96246 9.829217 23.84531 9.562765 
-0.8828526     13.71350 
1 1 1 -25 8   12 o 25.72200 7.027200  164.2919       109.9134 113.7252       
167.1215 202.8374       145.9107 23.93768 9.987761 27.50632 9.887913 -3.568644 
14.05440 
1 1 1 -25 8   13 o 30.05572 6.947000  214.6063       112.8683 444.8254       
176.7078 55.95888       146.6903 39.14125 10.52386 20.97019 9.071478 18.17106 
13.89400 
1 1 1 -25 8   14 o 54.47773 4.753485  723.8376       106.7052 599.3091       
153.5609 840.1058       148.3804 49.07777 7.452753 59.87768 5.902454 -10.79991 
9.506970 
1 1 1 -25 8   15 o 33.49237 7.360862  353.8970       114.8123 336.2676       
175.1279 367.1855       152.0460 32.03438 10.88917 34.95036 9.907332 -2.915974 
14.72172 
1 1 1 -25 8   16 o 55.73045 5.649515  812.8565       128.7952 881.4467       
208.2688 770.3823       163.8913 56.35667 8.802379 55.10423 7.084221 1.252441 
11.29903 
1 1 1 -25 9   1  f 24.78756 7.059278  112.1883       113.1982 178.1187       
172.3484 62.16963       150.1172 27.43644 10.56750 22.13867 9.362778 5.297771 
14.11856 
1 1 1 -25 9   2  o 26.56672 7.265429  154.5177       115.3793 215.3410       
174.7741 107.5338       153.6090 29.11368 10.78087 24.01977 9.742623 5.093906 
14.53086 
1 1 1 -25 9   3  o 26.26089 7.177668  154.0200       115.3358 92.14995       
171.6979 204.8933       155.6931 24.05453 10.08517 28.46725 10.21592 -4.412727 
14.35534 
1 1 1 -25 9   4  o 22.51847 6.732790  47.64164       111.4692 146.6116       
168.3794 -29.57297      148.7261 25.98980 10.33270 19.04713 8.634645 6.942667 
13.46558 
1 1 1 -25 9   5  o 30.62763 7.240846  252.2935       112.9367 180.3089       
176.1922 302.4953       147.1385 27.45677 10.66197 33.79849 9.800088 -6.341715 
14.48169 
1 1 1 -25 9   6  o 23.77054 6.763959  99.93990       109.9604 -9.056959      
170.5027 177.5561       143.8800 20.70802 9.323718 26.83306 9.801677 -6.125046 
13.52792 
1 1 1 -25 9   7  o 28.36661 7.393572  207.7158       116.0827 201.9722       
174.3082 212.2932       155.6099 28.17694 10.69018 28.55629 10.21664 
-0.3793507     14.78714 
1 1 1 -25 9   8  o 28.73786 7.276501  217.6229       111.1738 227.9500       
166.3187 209.2817       149.4740 29.20239 10.55090 28.27333 10.02339 0.9290657 
14.55300 
1 1 1 -25 9   9  o 30.06523 7.182107  238.0619       105.8727 297.5710       
169.3887 199.9095       135.6295 32.46454 10.70925 27.66592 9.573012 4.798615 
14.36421 
1 1 1 -25 9   10 o 21.34143 6.351906  68.00277       97.00939 78.64891       
135.7094 56.87837       138.7243 21.70734 9.025084 20.97551 8.940619 0.7318268 
12.70381 
1 1 1 -25 9   11 o 20.85646 6.486782  30.50450       109.2148 79.10302       
166.1950 -6.434329      144.8932 22.66526 9.727223 19.04766 8.584549 3.617596 
12.97356 
1 1 1 -25 9   12 o 18.23388 5.910168  -25.66796      99.36304 -39.31807      
164.9794 -17.89820      124.4701 19.04947 8.794813 17.41828 7.897569 1.631195 
11.82034 
1 1 1 -25 9   13 o 21.14435 6.532093  59.53270       108.7830 58.54381       
167.2658 60.25756       143.2060 21.55311 9.501351 20.73559 8.966452 0.8175125 
13.06419 
1 1 1 -25 9   14 o 38.54504 7.376372  447.1190       120.4226 499.3663       
190.7331 412.4866       155.2870 39.60571 11.05453 37.48438 9.769383 2.121326 
14.75274 
1 1 1 -25 9   15 o 31.16189 7.328030  318.6266       114.0487 275.9903       
175.9552 349.5168       149.7690 28.68964 10.77855 33.63413 9.930908 -4.944489 
14.65606 
1 1 1 -25 9   16 o 16.42102 5.585327  -117.5968      110.5378 -53.79341      
173.8093 -160.9288      143.2371 18.17166 8.579809 14.67039 7.153347 3.501273 
11.17065 
1 1 1 -25 10  1  o 36.33715 7.097277  369.7050       122.2216 200.6777       
182.5123 507.1353       164.5716 28.19483 10.87151 44.47947 9.126647 -16.28464 
14.19455 
1 1 1 -25 10  2  o 17.03527 5.599793  -78.80091      97.53300 -27.02529      
135.2081 -134.9705      140.8285 18.19644 8.241776 15.87409 7.583131 2.322347 
11.19959 
1 1 1 -25 10  3  o 23.07629 6.709898  70.42818       113.2172 -60.85089      
167.8298 180.0628       153.3717 19.18818 8.863278 26.96439 10.07637 -7.776201 
13.41980 
1 1 1 -25 10  4  o 36.16217 7.181968  367.4352       117.7453 268.7957       
181.4559 439.1756       154.7487 31.13463 11.04316 41.18971 9.185381 -10.05508 
14.36394 
1 1 1 -25 10  5  o 27.86507 6.761588  122.8232       112.9513 402.9702       
178.4893 -64.29890      145.8754 37.94352 10.72746 17.78662 8.233947 20.15690 
13.52318 
1 1 1 -25 10  6  o 20.37406 6.299912  21.19144       105.2796 -79.96075      
172.0889 81.69334       133.0913 18.87266 8.815759 21.87546 9.002109 -3.002802 
12.59982 
1 1 1 -25 10  7  o 31.74618 7.376531  272.4493       113.2581 347.9602       
175.6301 218.6930       148.1865 34.88464 10.85047 28.60772 9.996004 6.276920 
14.75306 
1 1 1 -25 10  8  o 24.51418 6.931916  106.3649       113.0526 233.4904       
169.9846 5.534056       151.3875 29.15425 10.65340 19.87412 8.871918 9.280128 
13.86383 
1 1 1 -25 10  9  o 40.72647 7.001406  441.0963       117.7340 560.3353       
184.9538 359.8640       152.6577 45.30199 9.992795 36.15094 9.809320 9.151054 
14.00281 
1 1 1 -25 10  10 o 21.48438 6.327025  52.57656       105.8734 -118.6724      
168.5303 164.2226       136.0773 17.58584 8.370362 25.38292 9.490101 -7.797087 
12.65405 
1 1 1 -25 10  11 o 18.23950 5.759837  -19.25256      94.37411 -116.9798      
135.7351 72.20018       131.3054 15.56936 7.439272 20.90963 8.795461 -5.340272 
11.51967 
1 1 1 -25 10  12 o 31.84126 6.246814  289.6829       93.67738 168.0172       
140.2095 387.7850       125.9020 25.08558 9.567101 38.59694 8.035007 -13.51136 
12.49363 
1 1 1 -25 10  13 o 29.48988 6.942388  262.5880       101.9097 296.1943       
140.6591 225.4559       147.8539 31.54506 9.689931 27.43469 9.944458 4.110374 
13.88478 
1 1 1 -25 10  14 o 24.76266 6.705311  162.4139       112.4830 -11.85105      
174.0932 287.2935       147.3746 19.26497 8.947729 30.26036 9.989141 -10.99539 
13.41062 
1 1 1 -25 10  15 o 17.49302 5.803757  -49.36078      109.7426 -119.0686      
168.8546 1.616790       144.3982 16.73816 8.069345 18.24788 8.343863 -1.509714 
11.60751 
1 1 1 -25 11  1  o 22.53497 6.723040  61.04564       116.2215 -62.81189      
174.4838 159.8225       155.8194 19.30991 8.964427 25.76004 10.02178 -6.450134 
13.44608 
1 1 1 -25 11  2  o 26.75308 7.174116  173.9862       117.0350 76.56155       
172.6239 256.8614       159.2132 23.04758 9.903195 30.45858 10.38261 -7.411003 
14.34823 
1 1 1 -25 11  3  o 23.14325 6.897194  86.70875       113.6906 125.1682       
172.1886 56.98336       151.3794 24.71953 10.21471 21.56698 9.270643 3.152550 
13.79439 
1 1 1 -25 11  4  o 29.53126 7.373643  236.4387       113.0851 271.8480       
175.0507 211.0769       148.1478 30.93338 10.85904 28.12914 9.978163 2.804237 
14.74729 
1 1 1 -25 11  5  o 40.81930 6.958766  438.3536       117.0050 559.3285       
184.3940 356.8130       151.3861 45.46645 9.933957 36.17215 9.747520 9.294292 
13.91753 
1 1 1 -25 11  6  f 35.66789 6.600595  343.2603       100.4513 312.2644       
144.9772 371.8807       139.3114 33.73339 9.710588 37.60240 8.942926 -3.869007 
13.20119 
1 1 1 -25 11  7  f 21.56914 6.316327  67.87318       96.49950 144.1507       
140.3267 -0.5609271     132.9164 24.54958 9.518818 18.58870 8.305182 5.960882 
12.63265 
1 1 1 -25 11  8  o 23.05344 6.878631  97.28434       113.1939 104.0586       
173.2788 92.24164       149.5010 23.61643 10.02700 22.49046 9.419213 1.125969 
13.75726 
1 1 1 -25 11  9  o 23.58222 6.945103  105.7241       113.2186 180.8766       
175.4619 52.11120       148.1991 26.29281 10.51614 20.87163 9.074615 5.421177 
13.89021 
1 1 1 -25 11  10 o 30.98059 7.204477  285.8663       115.0507 182.9580       
170.6448 371.6286       155.7816 26.07670 10.39106 35.88448 9.982176 -9.807783 
14.40895 
1 1 1 -25 11  11 o 18.62490 6.082832  -27.54836      111.5152 -56.88305      
170.1308 -5.451395      147.6586 18.51816 8.679386 18.73165 8.524767 
-0.2134857     12.16566 
1 1 1 -25 11  12 o 22.80864 6.435028  25.36193       103.0724 319.4600       
173.5748 -134.8324      128.1044 31.22452 10.82723 14.39277 6.957695 16.83175 
12.87006 
1 1 1 -25 11  13 f 52.34062 5.931902  749.7204       121.8306 672.6672       
190.4143 803.1261       158.5250 47.73234 9.838136 56.94890 6.630306 -9.216560 
11.86380 
1 1 1 -25 11  14 o 23.23041 7.042272  102.4000       127.9521 -31.31167      
170.3058 275.6930       193.8810 18.50385 8.674681 27.95697 11.09614 -9.453123 
14.08454 
1 1 1 -25 12  1  o 35.29174 6.690749  354.9647       120.6988 109.3804       
177.2108 567.4760       164.8469 23.88334 10.14022 46.70014 8.731582 -22.81680 
13.38150 
1 1 1 -25 12  2  o 24.99569 7.134523  147.3364       116.2595 118.8103       
173.3049 170.6781       156.7676 24.13032 10.12530 25.86106 10.05405 -1.730743 
14.26905 
1 1 1 -25 12  3  f 61.80482 5.068132  932.2017       128.8874 835.3915       
194.0395 1008.640       172.4187 57.93612 7.977408 65.67354 6.253385 -7.737423 
10.13626 
1 1 1 -25 12  4  o 21.06628 6.565702  40.38412       112.0579 47.39270       
170.5184 35.05670       148.6670 21.70290 9.576967 20.42965 8.984180 1.273252 
13.13140 
1 1 1 -25 12  5  o 53.58066 5.485537  689.1053       118.3462 793.5851       
201.9066 634.4231       146.0690 55.58128 8.652526 51.58003 6.745240 4.001255 
10.97107 
1 1 1 -25 12  6  o 21.15272 6.448728  -18.96283      113.1570 201.7917       
173.6507 -181.8818      149.1789 27.10144 10.57227 15.20399 7.387252 11.89745 
12.89746 
1 1 1 -25 12  7  o 22.38309 6.660749  78.34979       113.8037 -41.90374      
172.0810 171.8301       151.7205 19.21743 8.914187 25.54876 9.899473 -6.331333 
13.32150 
1 1 1 -25 12  8  o 27.71833 6.842024  216.9065       99.06567 176.2283       
140.3391 257.3087       139.8621 25.54879 9.620637 29.88787 9.731214 -4.339087 
13.68405 
1 1 1 -25 12  9  o 18.36747 5.848745  -5.811767      97.46929 -71.66615      
140.8598 54.68734       135.0110 16.67164 7.828928 20.06330 8.691328 -3.391653 
11.69749 
1 1 1 -25 12  10 o 27.67392 7.357774  235.3571       115.5259 251.3907       
173.5932 222.6110       154.7776 28.18872 10.67597 27.15911 10.12774 1.029613 
14.71555 
1 1 1 -25 12  11 o 21.78713 6.700179  91.07385       112.5688 117.9076       
176.3297 72.61443       146.2493 22.88356 9.923115 20.69070 9.005630 2.192862 
13.40036 
1 1 1 -25 12  12 o 20.43094 6.323526  1.177094       110.2618 210.6671       
169.4172 -152.7655      145.2296 25.88693 10.34164 14.97495 7.279999 10.91199 
12.64705 
1 1 1 -25 12  13 o 20.91865 9.203151  79.35574       156.1383 0.000000       
0.000000 79.35574       156.1383 ?        ?        20.91865 9.203151 ? ? 
1 1 1 -25 13  1  o 34.07759 6.712899  328.1041       100.4519 403.3621       
149.2618 265.7996       135.8101 37.82144 9.423568 30.33374 9.562867 7.487698 
13.42580 
1 1 1 -25 13  2  o 25.25112 7.191518  168.9456       116.7222 163.2258       
175.9457 173.4414       155.9902 25.14180 10.34905 25.36043 9.988434 
-0.2186241     14.38304 
1 1 1 -25 13  3  o 19.24234 6.198243  -11.31476      107.4216 52.43503       
173.2601 -51.12250      136.9125 21.47074 9.540892 17.01394 7.914813 4.456799 
12.39649 
1 1 1 -25 13  4  o 49.99595 5.977568  640.6851       121.5172 763.3486       
191.2657 557.6592       157.3569 54.08808 8.422802 45.90381 8.484200 8.184269 
11.95514 
1 1 1 -25 13  5  o 29.75125 7.445537  271.7351       115.7905 279.8757       
176.3652 265.5677       153.5087 29.82476 10.85608 29.67775 10.19262 0.1470108 
14.89107 
1 1 1 -25 13  6  o 22.45426 6.727570  95.09209       115.8332 -13.92654      
178.5397 174.3342       152.2168 19.77366 9.136764 25.13486 9.877264 -5.361198 
13.45514 
1 1 1 -25 13  7  o 38.26485 7.209502  430.1718       118.8933 569.9701       
183.3203 328.6791       156.1985 43.91019 10.14120 32.61951 10.25006 11.29068 
14.41900 
1 1 1 -25 13  8  f 27.39261 7.358030  233.9201       116.4870 248.8021       
173.2799 221.6494       157.3455 27.87827 10.63466 26.90696 10.17184 0.9713020 
14.71606 
1 1 1 -25 13  9  o 21.64839 6.424269  103.7836       99.06680 79.73598       
139.9435 127.9402       140.2603 20.70630 8.907574 22.59047 9.259592 -1.884167 
12.84854 
1 1 1 -25 13  10 o 24.03421 7.023029  162.9227       115.5011 149.3113       
172.0746 174.0838       155.8191 23.61606 10.00769 24.45236 9.855861 
-0.8362980     14.04606 
1 1 1 -25 13  11 o 28.14507 11.31147  286.4574       204.4053 0.000000       
0.000000 286.4574       204.4053 ?        ?        28.14507 11.31147 ? ? 
1 1 1 -25 14  1  o 24.07586 7.072539  145.1760       119.5264 248.6981       
180.0601 63.62279       159.8166 27.43205 10.75241 20.71968 9.190697 6.712368 
14.14508 
1 1 1 -25 14  2  o 20.26949 6.428833  46.86893       113.1623 38.38179       
169.7708 53.65470       151.8035 20.34315 9.223594 20.19582 8.957952 0.1473312 
12.85767 
1 1 1 -25 14  3  o 19.99461 6.197743  23.68697       104.6663 -90.37814      
142.5503 157.1103       154.1728 16.07758 7.668163 23.91164 9.738960 -7.834053 
12.39549 
1 1 1 -25 14  4  o 25.66801 7.191273  200.2774       115.2472 189.8417       
176.4937 208.0345       152.1671 25.24247 10.37355 26.09355 9.962284 
-0.8510799     14.38255 
1 1 1 -25 14  5  o 17.57005 5.862372  -63.26008      113.3993 -54.04313      
171.2602 -70.45618      151.3252 18.20172 8.571263 16.93837 8.000192 1.263348 
11.72474 
1 1 1 -25 14  6  o 23.97603 6.267738  113.9387       100.0582 311.5963       
145.6319 -62.79390      137.7076 31.58743 9.891625 16.36463 7.700253 15.22280 
12.53548 
1 1 1 -25 14  7  o 31.51518 7.317903  328.0103       112.7804 302.4778       
180.1190 344.4759       144.6445 29.53980 10.94331 33.49056 9.718576 -3.950764 
14.63581 
1 1 1 -25 14  8  o 26.39000 7.124086  220.1709       116.5744 123.1105       
176.2558 295.6442       155.4243 22.72297 9.888238 30.05703 10.25832 -7.334051 
14.24817 
1 1 1 -25 14  9  o 16.34375 7.824490  -95.67281      152.0201 0.000000       
0.000000 -95.67281      152.0201 ?        ?        16.34375 7.824490 ? ? 
1 1 1 -24 -28 1  o 24.10751 6.958279  166.4675       112.6542 129.8410       
174.4529 192.6655       147.5414 22.97098 9.914275 25.24404 9.766151 -2.273064 
13.91656 
1 1 1 -24 -27 1  o 20.56639 6.465979  44.96423       111.9683 10.18428       
179.7384 67.02063       143.1343 20.40491 9.321377 20.72787 8.963674 
-0.3229694     12.93196 
1 1 1 -24 -27 2  o 14.77994 5.087302  -170.4567      98.17454 -76.03970      
151.9545 -238.1060      128.6235 16.89809 7.997943 12.66179 6.289314 4.236308 
10.17460 
1 1 1 -24 -27 3  o 27.06085 6.352737  196.8826       96.26987 364.8998       
142.1021 54.35183       130.8814 34.79251 9.474560 19.32920 8.465328 15.46331 
12.70547 
1 1 1 -24 -26 1  o 24.41624 6.613512  133.4558       106.7511 -19.13524      
169.5449 233.6822       137.4077 19.80936 9.050935 29.02313 9.645451 -9.213766 
13.22702 
1 1 1 -24 -26 2  o 22.05292 6.545063  18.81420       119.7632 -208.0057      
171.8514 232.9942       166.9944 15.97588 7.798075 28.12995 10.51387 -12.15407 
13.09013 
1 1 1 -24 -26 3  o 19.22821 6.140677  -8.696604      108.8703 -109.7494      
150.4637 102.3444       157.7245 16.25854 7.783847 22.19789 9.499652 -5.939356 
12.28135 
1 1 1 -24 -26 4  o 23.03704 6.683483  103.3198       103.9926 9.139860       
130.8026 265.1193       171.4453 17.90465 8.108170 28.16942 10.62701 -10.26477 
13.36697 
1 1 1 -24 -25 1  o 26.56399 7.324849  174.4883       118.3354 194.0752       
162.7064 152.4932       172.4186 27.37730 10.34543 25.75068 10.37236 1.626623 
14.64970 
1 1 1 -24 -25 2  o 27.62016 7.562843  205.0080       124.7261 204.4408       
169.0549 205.6855       184.7694 27.55733 10.50655 27.68299 10.88112 
-0.1256599     15.12569 
1 1 1 -24 -25 3  o 24.62447 6.898305  134.0280       112.8364 236.1457       
158.6851 29.58760       160.4796 28.64586 10.31027 20.60309 9.167596 8.042768 
13.79661 
1 1 1 -24 -25 4  o 30.25413 7.062524  266.8781       105.0011 203.5127       
139.2473 350.3993       159.8670 26.61819 9.650467 33.89007 10.31433 -7.271883 
14.12505 
1 1 1 -24 -25 5  o 16.05290 5.382804  -80.36562      96.89958 -58.26824      
145.5482 -97.95683      129.8626 16.92760 7.950948 15.17820 7.258151 1.749409 
10.76561 
1 1 1 -24 -25 6  o 30.57659 6.662351  288.6927       95.47313 248.0836       
140.3152 323.7016       130.2813 28.06160 9.734367 33.09158 9.098889 -5.029982 
13.32470 
1 1 1 -24 -24 1  o 28.94896 7.045735  219.3835       104.2200 240.0788       
143.2399 196.1035       151.9216 30.12576 9.848020 27.77217 10.07899 2.353590 
14.09147 
1 1 1 -24 -24 2  o 22.28036 6.713965  60.19047       109.7605 121.8518       
169.0263 15.23020       144.3319 24.63124 10.14198 19.92949 8.800539 4.701756 
13.42793 
1 1 1 -24 -24 3  o 25.45179 6.940394  140.6607       104.6325 239.2368       
167.7967 77.94453       133.8405 29.33659 10.59785 21.56700 8.964478 7.769588 
13.88079 
1 1 1 -24 -24 4  o 27.06540 6.698769  188.8129       103.2461 68.39070       
150.1540 296.8075       142.1951 21.56786 9.250714 32.56295 9.691146 -10.99509 
13.39754 
1 1 1 -24 -24 5  o 28.21318 6.477715  185.6761       95.43915 62.29880       
121.3294 385.9185       154.5704 19.88775 8.414382 36.53862 9.850958 -16.65087 
12.95543 
1 1 1 -24 -24 6  o 21.02335 6.099988  40.66166       100.6868 216.9146       
141.8241 -138.4463      142.9681 26.84707 9.738769 15.19964 7.348182 11.64744 
12.19998 
1 1 1 -24 -24 7  o 22.32098 6.626204  105.3875       106.9796 22.97009       
142.4558 211.9797       162.0070 18.75923 8.480151 25.88273 10.18398 -7.123503 
13.25241 
1 1 1 -24 -23 1  o 21.74801 6.462616  42.87292       104.8220 129.5083       
146.8732 -47.06583      149.6471 24.80296 9.713303 18.69307 8.527213 6.109896 
12.92523 
1 1 1 -24 -23 2  o 25.69404 7.155101  143.0568       111.9274 173.9660       
173.9586 121.2216       146.2114 27.13072 10.58206 24.25737 9.633375 2.873350 
14.31020 
1 1 1 -24 -23 3  o 43.32940 6.879304  509.8507       126.1931 361.5384       
186.5840 634.8889       171.3196 35.49302 11.21131 51.16578 7.975327 -15.67276 
13.75861 
1 1 1 -24 -23 4  f 22.79901 6.549520  84.24138       103.4252 -8.158985      
146.4406 176.2005       146.0905 19.21810 8.647514 26.37993 9.838971 -7.161831 
13.09904 
1 1 1 -24 -23 5  o 19.76328 6.173905  -71.52520      106.5316 -225.5075      
137.0272 163.7554       169.3809 13.76080 6.778201 25.76575 10.32107 -12.00495 
12.34781 
1 1 1 -24 -23 6  o 26.16952 6.790442  186.7113       97.77219 168.1272       
133.9000 207.9367       143.0995 25.16216 9.412622 27.17689 9.789940 -2.014729 
13.58088 
1 1 1 -24 -23 7  o 23.74344 6.773283  147.3433       105.5978 183.2037       
145.9921 107.9962       152.9248 25.24800 9.725687 22.23888 9.429764 3.009121 
13.54657 
1 1 1 -24 -23 8  o 24.98353 6.920142  186.9492       105.7449 164.9297       
146.1486 211.1422       153.1916 23.98720 9.596087 25.97986 9.973392 -1.992661 
13.84028 
1 1 1 -24 -22 1  o 34.09265 7.444998  317.8228       123.2462 199.0001       
203.9945 386.1267       154.6648 29.22420 11.44682 38.96109 9.522730 -9.736891 
14.89000 
1 1 1 -24 -22 2  o 25.41678 7.268912  125.5617       120.2952 136.5216       
171.4771 114.9413       168.8006 25.87896 10.37711 24.95459 10.18155 0.9243698 
14.53782 
1 1 1 -24 -22 3  o 27.10751 7.140164  142.9933       123.3145 -30.02090      
175.7702 310.6895       173.0478 20.51888 9.328176 33.69614 10.81263 -13.17726 
14.28033 
1 1 1 -24 -22 4  o 23.41927 6.438138  56.47034       106.4343 -120.1033      
148.4445 243.2808       152.6869 16.68386 7.900550 30.15468 10.16758 -13.47081 
12.87628 
1 1 1 -24 -22 5  o 50.83579 5.641871  640.9426       113.4435 665.4259       
146.1983 603.8933       179.8443 53.44981 6.515045 48.22177 9.212873 5.228035 
11.28374 
1 1 1 -24 -22 6  o 30.64985 5.758666  195.8919       105.6788 -104.5860      
148.1630 507.0627       150.7762 16.74661 7.912699 44.55309 8.368879 -27.80647 
11.51733 
1 1 1 -24 -22 7  o 23.29061 6.577651  103.2353       101.6371 217.3753       
152.7608 12.57730       136.1433 27.66874 10.10036 18.91249 8.428802 8.756250 
13.15530 
1 1 1 -24 -22 8  o 28.03495 6.350443  202.3460       99.00639 41.16049       
135.4834 387.0641       145.0367 19.42063 8.557539 36.64926 9.385149 -17.22863 
12.70089 
1 1 1 -24 -22 9  o 16.86799 5.669224  -76.59411      107.1761 -57.60833      
169.0532 -89.35335      138.5867 17.94443 8.469314 15.79155 7.538643 2.152886 
11.33845 
1 1 1 -24 -21 1  o 38.31350 7.458006  390.6727       123.6799 327.3181       
205.9332 426.4178       154.6843 35.06394 11.80810 41.56307 9.113515 -6.499130 
14.91601 
1 1 1 -24 -21 2  o 34.16764 7.504931  289.5700       118.1248 401.7170       
189.6845 218.5273       150.9725 38.72836 11.09401 29.60691 10.11034 9.121450 
15.00986 
1 1 1 -24 -21 3  o 24.64681 7.006793  59.39563       121.0301 244.9770       
182.4254 -86.51625      161.7571 30.77716 11.05689 18.51646 8.609627 12.26070 
14.01359 
1 1 1 -24 -21 4  o 48.96375 5.855011  561.4875       115.0880 770.9014       
181.1268 419.6929       149.0423 57.18085 7.544893 40.74664 8.955402 16.43420 
11.71002 
1 1 1 -24 -21 5  f 32.74410 7.108385  289.0109       107.0637 298.6611       
146.5174 277.9545       156.8300 33.45954 9.804463 32.02867 10.29510 1.430874 
14.21677 
1 1 1 -24 -21 6  o 22.73427 6.580849  95.63387       99.03855 91.34472       
130.0231 101.5615       152.8537 22.12323 8.967558 23.34531 9.633960 -1.222082 
13.16170 
1 1 1 -24 -21 7  o 18.19543 5.771572  -7.955762      90.66649 12.34789       
137.4228 -23.60608      120.6516 19.26257 8.536189 17.12830 7.770304 2.134274 
11.54314 
1 1 1 -24 -21 8  o 24.53481 6.448489  139.0619       96.22463 244.3666       
135.9926 33.47945       136.1719 29.43267 9.595654 19.63695 8.617162 9.795717 
12.89698 
1 1 1 -24 -21 9  o 20.16876 6.183765  56.73935       99.39482 -14.55003      
158.7706 102.6851       127.4618 18.81667 8.664513 21.52085 8.825080 -2.704178 
12.36753 
1 1 1 -24 -21 10 o 31.80576 7.599225  311.0561       117.2673 485.8002       
200.3742 220.0267       144.6210 37.02291 11.60453 26.58861 9.814671 10.43430 
15.19845 
1 1 1 -24 -20 1  o 42.52721 7.275646  450.4538       127.0246 497.7552       
199.2259 418.0532       164.8867 44.04776 10.83377 41.00666 9.714396 3.041092 
14.55129 
1 1 1 -24 -20 2  o 22.46582 6.849447  20.02713       122.5473 -86.66804      
184.9368 103.5525       163.6290 20.13704 9.302508 24.79460 10.05599 -4.657566 
13.69889 
1 1 1 -24 -20 3  o 27.66333 7.469635  171.2769       121.9727 132.4997       
183.6831 201.8621       163.1310 26.40408 10.67674 28.92257 10.44935 -2.518494 
14.93927 
1 1 1 -24 -20 4  f 27.21159 7.385207  168.1291       121.5303 76.83788       
204.9041 217.6711       150.9462 25.02305 10.77169 29.40012 10.10623 -4.377073 
14.77041 
1 1 1 -24 -20 5  o 58.40939 4.793976  768.5149       114.0458 862.2488       
189.1042 714.9353       142.9724 60.61940 7.430371 56.19937 6.059572 4.420033 
9.587952 
1 1 1 -24 -20 6  o 25.69323 6.726363  157.4258       96.71066 171.0794       
134.4216 142.7749       139.2450 26.37812 9.489816 25.00834 9.535157 1.369783 
13.45273 
1 1 1 -24 -20 7  o 24.55430 6.382461  115.0684       91.34938 247.7277       
142.6364 22.82142       118.9426 30.31934 9.825457 18.78926 8.148842 11.53008 
12.76492 
1 1 1 -24 -20 8  o 15.67178 5.279545  -113.3119      94.51337 -167.7566      
155.3585 -81.32299      119.0849 15.95858 7.704972 15.38498 7.219959 0.5735941 
10.55909 
1 1 1 -24 -20 9  o 32.76757 7.132722  309.7615       106.6346 326.9350       
165.4113 297.5490       139.4889 33.06287 10.56753 32.47226 9.582807 0.5906105 
14.26544 
1 1 1 -24 -20 10 o 19.67712 6.294234  25.22137       107.2346 -12.36636      
190.8187 42.57130       129.6423 20.12483 9.355020 19.22942 8.423368 0.8954124 
12.58847 
1 1 1 -24 -20 11 o 22.63241 6.699918  129.0155       105.9477 146.2679       
162.4203 116.2375       139.7807 23.35126 9.800466 21.91356 9.138189 1.437704 
13.39984 
1 1 1 -24 -19 1  o 61.87782 5.463530  857.4118       140.3033 967.1791       
219.5030 781.5862       182.4366 64.96671 8.047678 58.78894 7.391583 6.177776 
10.92706 
1 1 1 -24 -19 2  o 51.68796 6.637459  659.2642       137.4286 529.7006       
205.2295 764.5914       185.0412 45.53772 10.86985 57.83820 7.620349 -12.30047 
13.27492 
1 1 1 -24 -19 3  o 26.18902 7.401013  114.7960       122.1044 196.7697       
193.3534 60.41859       157.4792 29.43969 11.23276 22.93834 9.639768 6.501347 
14.80203 
1 1 1 -24 -19 4  o 23.61351 7.034050  64.99306       117.4837 110.4986       
182.6812 32.89867       153.4179 25.61330 10.54457 21.61371 9.312543 3.999594 
14.06810 
1 1 1 -24 -19 5  o 21.47894 6.673207  14.18366       114.4777 42.78063       
178.3209 -5.864661      149.3074 22.96667 9.969359 19.99122 8.873480 2.975447 
13.34641 
1 1 1 -24 -19 6  o 32.26788 6.782576  242.6430       124.3573 -23.09496      
179.0241 490.4327       172.8727 20.94003 9.484080 43.59574 9.698739 -22.65571 
13.56515 
1 1 1 -24 -19 7  o 20.00081 6.118764  29.04929       93.88266 41.02216       
140.4493 19.37850       126.2268 20.77297 8.929525 19.22865 8.367836 1.544321 
12.23753 
1 1 1 -24 -19 8  o 27.88050 6.810423  204.4504       96.30336 180.7519       
160.6643 217.7397       120.3124 26.86302 10.24231 28.89799 8.979009 -2.034969 
13.62085 
1 1 1 -24 -19 9  o 30.85700 6.785241  252.8280       103.4799 376.1366       
151.2384 144.2870       141.8934 37.11355 9.626516 24.60046 9.564945 12.51309 
13.57048 
1 1 1 -24 -19 10 o 24.69266 7.044217  133.0590       112.8520 235.5589       
177.1263 63.02010       146.4168 28.33365 10.76846 21.05167 9.084289 7.281982 
14.08843 
1 1 1 -24 -19 11 o 23.20115 7.057436  122.2971       124.3052 130.6573       
174.2211 113.6280       177.4104 23.44525 10.00716 22.95705 9.954211 0.4881935 
14.11487 
1 1 1 -24 -19 12 o 22.60598 6.244916  59.67485       104.3233 -146.8747      
142.3706 299.1747       153.3066 14.87702 7.224719 30.33495 10.18820 -15.45793 
12.48983 
1 1 1 -24 -18 1  o 72.86193 6.463719  1240.303       195.3025 1290.918       
261.1996 1176.124       294.1206 75.19385 8.273920 70.53001 9.932820 4.663834 
12.92744 
1 1 1 -24 -18 2  o 50.69835 6.202196  601.0622       128.6866 679.5609       
187.5545 531.2338       176.8938 54.41334 8.209999 46.98335 9.298648 7.429985 
12.40439 
1 1 1 -24 -18 3  o 59.45018 6.160046  848.2588       140.8525 773.3689       
233.7513 890.9531       176.4930 55.82523 10.36168 63.07513 6.664849 -7.249893 
12.32009 
1 1 1 -24 -18 4  o 41.65767 7.258557  423.6151       124.8848 555.5938       
199.2775 338.2598       160.2587 46.80096 10.41422 36.51438 10.11388 10.28658 
14.51711 
1 1 1 -24 -18 5  o 25.90728 7.092846  140.3267       110.2140 74.96754       
190.4084 173.2585       135.1576 24.69678 10.49904 27.11779 9.539601 -2.421005 
14.18569 
1 1 1 -24 -18 6  o 41.26704 7.250835  440.6864       123.8765 468.3656       
191.9382 420.9259       162.1746 41.93304 10.82984 40.60104 9.644320 1.332008 
14.50167 
1 1 1 -24 -18 7  o 20.67207 6.539114  -12.23515      115.2060 35.77738       
178.4020 -46.57887      150.8850 22.56320 9.882509 18.78094 8.565982 3.782265 
13.07823 
1 1 1 -24 -18 8  o 21.69867 6.093983  -9.886209      98.33120 224.6322       
149.6314 -188.1464      130.4552 29.26953 10.06204 14.12780 6.877632 15.14173 
12.18797 
1 1 1 -24 -18 9  o 28.77988 7.104973  221.0302       108.3509 274.1840       
147.9793 159.5985       159.0853 31.67994 9.981097 25.87982 10.11436 5.800117 
14.20995 
1 1 1 -24 -18 10 o 37.28700 7.192746  386.9575       117.1113 305.6844       
158.5223 484.6129       173.7660 32.70774 10.33415 41.86627 10.00739 -9.158527 
14.38549 
1 1 1 -24 -18 11 o 19.67443 6.270376  -31.92588      118.8801 -210.4514      
179.3260 108.0442       158.7854 16.36955 7.985833 22.97930 9.669382 -6.609747 
12.54075 
1 1 1 -24 -18 12 o 23.74140 6.888893  128.5328       115.9423 246.3887       
166.9308 18.69000       161.1560 27.83593 10.49048 19.64686 8.931807 8.189072 
13.77779 
1 1 1 -24 -18 13 o 37.47164 7.161526  451.0800       117.7816 508.5121       
157.7254 378.6817       177.0876 41.80763 9.233042 33.13565 10.94992 8.671982 
14.32305 
1 1 1 -24 -17 1  f 67.37179 7.826216  1116.556       204.8651 1176.773       
259.4471 1016.833       333.8772 71.83910 8.602190 62.90447 13.07673 8.934635 
15.65243 
1 1 1 -24 -17 2  o 28.58461 7.710625  159.1729       133.5901 64.29343       
200.6302 234.7435       179.0552 25.54278 10.81428 31.62643 10.99392 -6.083651 
15.42125 
1 1 1 -24 -17 3  f 30.92232 7.741417  225.5272       126.2570 187.2757       
196.7302 252.3158       164.6348 29.64414 11.32470 32.20049 10.55790 -2.556349 
15.48283 
1 1 1 -24 -17 4  f 34.01912 7.612666  295.2680       127.5395 189.4936       
195.4111 373.7639       168.3380 29.47211 11.27861 38.56612 10.22759 -9.094007 
15.22533 
1 1 1 -24 -17 5  o 28.02712 6.924577  161.9946       119.7060 -63.81918      
190.2767 309.9124       154.0000 21.02229 9.598141 35.03194 9.983726 -14.00965 
13.84915 
1 1 1 -24 -17 6  o 22.19450 6.606314  42.69953       111.3003 -111.7868      
189.2769 124.3507       137.6049 19.73015 9.227660 24.65886 9.456418 -4.928709 
13.21263 
1 1 1 -24 -17 7  o 32.88049 7.195112  292.2740       115.0007 180.7357       
190.3804 356.3548       144.3026 28.20917 11.05641 37.55181 9.210549 -9.342636 
14.39022 
1 1 1 -24 -17 8  o 25.38804 7.205218  126.7121       111.5546 158.3325       
194.9556 111.3190       136.0239 27.14615 10.99013 23.62992 9.320819 3.516235 
14.41044 
1 1 1 -24 -17 9  o 21.91625 6.678245  41.39938       115.7571 -51.30693      
177.9063 109.4635       152.4390 19.97614 9.187213 23.85637 9.694893 -3.880234 
13.35649 
1 1 1 -24 -17 10 o 47.91883 6.106540  572.6930       118.2186 417.7649       
159.1515 763.4012       176.5755 39.44825 9.671064 56.38941 7.458540 -16.94116 
12.21308 
1 1 1 -24 -17 11 o 56.02737 6.268892  813.3542       143.2041 743.5123       
204.7837 880.1927       200.3321 52.59487 9.632998 59.45987 8.025046 -6.865002 
12.53778 
1 1 1 -24 -17 12 o 46.59346 7.202391  619.8882       136.7202 693.2051       
202.6520 558.6393       185.2243 49.27181 10.14382 43.91510 10.22744 5.356712 
14.40478 
1 1 1 -24 -17 13 o 22.72356 6.838403  119.4295       115.6657 75.21081       
166.2095 160.9526       161.0638 21.31076 9.422919 24.13636 9.912801 -2.825600 
13.67681 
1 1 1 -24 -16 1  o 45.71608 8.697164  527.4033       170.3739 535.0639       
232.6879 518.5498       250.1488 46.27923 11.90892 45.15294 12.67834 1.126293 
17.39433 
1 1 1 -24 -16 2  o 64.09267 5.474476  935.4025       144.4935 817.7065       
216.4226 1030.058       194.0865 59.91337 8.603992 68.27198 6.771329 -8.358612 
10.94895 
1 1 1 -24 -16 3  o 39.73303 6.970711  371.7166       117.7895 527.8693       
179.9582 254.6745       155.8002 46.96562 9.458766 32.50045 10.24183 14.46517 
13.94142 
1 1 1 -24 -16 4  o 18.31896 6.092676  -138.9070      119.9940 -246.7160      
198.5440 -76.86771      150.6130 18.13764 8.745500 18.50029 8.485225 
-0.3626518     12.18535 
1 1 1 -24 -16 5  o 35.23692 7.748119  300.4148       122.8615 387.8882       
205.7403 251.9313       153.1717 38.51152 11.69700 31.96232 10.16433 6.549198 
15.49624 
1 1 1 -24 -16 6  o 21.17635 6.578503  11.48774       104.8211 11.29837       
190.9243 11.56944       125.4126 22.99525 10.14227 19.35744 8.380996 3.637810 
13.15701 
1 1 1 -24 -16 7  o 44.12379 6.627845  513.9594       113.2327 388.1150       
200.6367 572.7756       137.1647 37.88463 11.55987 50.36295 6.487124 -12.47832 
13.25569 
1 1 1 -24 -16 8  o 40.53613 7.062611  430.0732       115.4348 407.2356       
200.2339 441.4416       141.2743 38.43624 11.51252 42.63601 8.184356 -4.199768 
14.12522 
1 1 1 -24 -16 9  o 22.37406 6.831610  15.82567       117.3260 150.0449       
188.7192 -68.73339      149.7921 26.64843 10.80292 18.09968 8.365430 8.548750 
13.66322 
1 1 1 -24 -16 10 o 27.35279 7.325498  177.5950       112.1394 234.6211       
185.8805 144.9636       140.6095 29.64160 11.08978 25.06398 9.574366 4.577621 
14.65100 
1 1 1 -24 -16 11 o 22.53325 6.824957  53.64244       118.0727 -27.42016      
160.3923 149.5401       174.4525 19.42841 8.853338 25.63808 10.38935 -6.209667 
13.64991 
1 1 1 -24 -16 12 o 34.35703 7.531117  354.0519       133.5516 178.7887       
195.7197 506.7621       182.6935 26.54185 10.91851 42.17221 10.37579 -15.63036 
15.06223 
1 1 1 -24 -16 13 o 28.04003 7.107457  217.8139       116.2499 362.1532       
167.1675 82.64548       161.7697 34.19254 10.57591 21.88752 9.498095 12.30502 
14.21491 
1 1 1 -24 -16 14 f 24.76821 6.949868  180.8574       107.5290 184.6337       
153.3986 177.2093       150.7734 24.92457 9.877076 24.61185 9.779878 0.3127193 
13.89974 
1 1 1 -24 -15 1  o 94.76924 6.401690  2010.001       252.5870 1850.476       
332.1981 2228.616       388.8867 90.60871 8.732694 98.92977 9.363046 -8.321060 
12.80338 
1 1 1 -24 -15 2  o 78.55348 5.089451  1357.848       164.0977 1404.520       
262.4761 1327.899       210.2545 79.24666 7.889145 77.86030 6.432064 1.386360 
10.17890 
1 1 1 -24 -15 3  o 71.90008 5.509124  1090.549       158.4706 1403.709       
280.2552 943.3581       192.1364 78.58215 8.494755 65.21801 7.017189 13.36414 
11.01825 
1 1 1 -24 -15 4  o 42.01618 7.147350  430.0500       123.1682 442.2286       
191.8248 421.5069       160.6615 42.15095 10.79289 41.88141 9.372944 0.2695389 
14.29470 
1 1 1 -24 -15 5  o 32.62520 7.389885  264.2744       111.7753 213.6458       
206.2469 285.3281       133.0007 30.91761 11.65815 34.33279 9.084560 -3.415182 
14.77977 
1 1 1 -24 -15 6  o 24.10328 7.129136  66.63979       112.7803 111.3435       
203.0824 46.70493       135.6149 26.78106 11.08154 21.42551 8.972062 5.355549 
14.25827 
1 1 1 -24 -15 7  o 26.16846 6.738789  137.4373       111.7993 -85.44797      
193.3262 249.4276       137.0378 20.65215 9.529292 31.68477 9.530882 -11.03262 
13.47758 
1 1 1 -24 -15 8  o 64.35933 5.155114  910.4948       134.5190 1129.917       
229.0660 794.9917       166.1948 69.55471 7.844318 59.16396 6.690850 10.39075 
10.31023 
1 1 1 -24 -15 9  o 40.69791 7.704717  407.8681       130.6018 614.6105       
225.6760 303.7619       160.1434 47.47568 11.44038 33.92013 10.32320 13.55555 
15.40943 
1 1 1 -24 -15 10 o 17.79628 5.866474  -86.86852      107.9040 -110.2742      
161.7327 -68.09243      144.8569 17.81801 8.372712 17.77455 8.219475 
0.4346657E-01  11.73295 
1 1 1 -24 -15 11 o 23.01320 6.810993  69.88381       119.0828 -83.98465      
192.3344 165.5345       151.6443 19.86654 9.295510 26.15986 9.957510 -6.293324 
13.62199 
1 1 1 -24 -15 12 o 24.42844 7.110367  122.8389       120.5274 42.62638       
196.8190 170.9675       152.4570 22.77411 10.14258 26.08277 9.967814 -3.308661 
14.22073 
1 1 1 -24 -15 13 o 32.24949 7.462570  316.0639       120.6243 241.4184       
186.8412 369.4106       157.9519 28.64799 11.00957 35.85098 10.07716 -7.202984 
14.92514 
1 1 1 -24 -15 14 o 37.40246 6.112635  401.3422       114.8297 116.9869       
162.5475 684.6238       162.2404 22.83519 9.703896 51.96972 7.435834 -29.13453 
12.22527 
1 1 1 -24 -15 15 o 24.80793 7.133667  185.4815       116.9424 163.7741       
172.0899 204.1057       159.4010 24.02272 10.08539 25.59314 10.09167 -1.570419 
14.26733 
1 1 1 -24 -14 1  o 76.64717 6.484405  1335.718       206.5212 1432.013       
280.6789 1222.043       304.9598 80.14439 8.341760 73.14996 9.930009 6.994423 
12.96881 
1 1 1 -24 -14 2  o 55.84577 6.659858  711.2798       143.9885 744.2877       
247.8064 694.4553       176.9192 55.68521 10.99098 56.00632 7.524177 
-0.3211136     13.31972 
1 1 1 -24 -14 3  o 30.53821 7.370197  213.4578       114.7694 155.0819       
184.5479 250.2734       146.5576 28.53076 10.94836 32.54567 9.869778 -4.014910 
14.74039 
1 1 1 -24 -14 4  o 25.37955 7.267304  73.57124       113.0515 174.1029       
204.1237 29.09065       135.7773 29.71056 11.48861 21.04853 8.903186 8.662022 
14.53461 
1 1 1 -24 -14 5  o 32.02313 7.110912  218.9745       105.4676 360.7382       
178.3292 142.7144       130.7943 38.08247 10.70847 25.96379 9.358900 12.11867 
14.22182 
1 1 1 -24 -14 6  o 27.32227 7.224594  69.38432       104.3949 342.9753       
213.7740 -16.29338      119.6294 36.53532 12.03080 18.10921 8.002439 18.42612 
14.44919 
1 1 1 -24 -14 7  o 32.11255 7.618375  219.3294       121.0567 398.2314       
204.6670 123.0611       150.1350 38.93040 11.63496 25.29470 9.837996 13.63570 
15.23675 
1 1 1 -24 -14 8  o 22.57716 6.788783  39.33442       111.5332 103.5276       
174.2363 -5.230432      145.1745 25.18015 10.32058 19.97417 8.822466 5.205980 
13.57757 
1 1 1 -24 -14 9  o 43.67165 7.044487  451.2219       122.6474 653.2359       
210.0081 346.6569       151.0911 50.48800 10.26443 36.85532 9.650936 13.63268 
14.08897 
1 1 1 -24 -14 10 o 25.22637 7.305751  110.6890       118.9725 164.7889       
198.8493 80.52520       148.4803 27.58554 11.12761 22.86720 9.469541 4.718338 
14.61150 
1 1 1 -24 -14 11 o 31.54860 7.331307  245.7592       103.2100 335.2723       
197.3743 212.0711       121.0837 34.29887 11.56012 28.79833 9.019755 5.500544 
14.66261 
1 1 1 -24 -14 12 o 17.31641 5.667513  -60.73343      97.31717 -162.2545      
167.5846 -9.080415      119.5375 16.95267 8.139876 17.68015 7.888299 
-0.7274742     11.33503 
1 1 1 -24 -14 13 o 37.44806 7.092325  390.4810       118.6837 532.4835       
172.9306 264.0383       163.1815 44.48884 9.534278 30.40729 10.50247 14.08155 
14.18465 
1 1 1 -24 -14 14 o 32.25925 6.843068  284.5614       105.1656 170.7025       
138.8143 437.9494       161.1189 25.27780 9.554641 39.24070 9.798936 -13.96289 
13.68614 
1 1 1 -24 -14 15 f 26.19765 7.202302  209.8561       113.9178 226.4325       
158.9403 192.3454       163.3588 26.95335 10.21330 25.44195 10.15781 1.511402 
14.40460 
1 1 1 -24 -13 1  o 46.87733 8.183949  468.7694       165.5833 248.4441       
206.9792 860.4583       275.9721 33.56930 11.80560 60.18537 11.33737 -26.61607 
16.36790 
1 1 1 -24 -13 2  o 72.71558 6.049006  1234.538       164.8074 1050.963       
296.8360 1316.346       198.1555 67.51463 10.47224 77.91653 6.057559 -10.40189 
12.09801 
1 1 1 -24 -13 3  o 36.34946 7.183506  300.3424       110.1411 379.6072       
186.1068 257.6150       136.6391 39.59057 10.87019 33.10836 9.394151 6.482216 
14.36701 
1 1 1 -24 -13 4  o 33.16356 7.521005  231.0343       112.4830 363.9647       
202.9910 172.1299       135.1258 38.40883 11.60915 27.91828 9.565022 10.49055 
15.04201 
1 1 1 -24 -13 5  o 32.82787 7.161265  272.0440       110.0176 146.8247       
209.8301 319.5193       129.2010 28.83645 11.51255 36.81929 8.520327 -7.982840 
14.32253 
1 1 1 -24 -13 6  o 29.24680 6.469045  188.6731       109.3667 -59.85643      
176.9695 342.2433       139.1115 20.67976 9.390280 37.81384 8.900384 -17.13408 
12.93809 
1 1 1 -24 -13 7  o 18.57599 6.183476  -128.3843      118.2906 -150.1850      
203.5962 -117.2750      145.3381 20.08120 9.426822 17.07077 8.004784 3.010429 
12.36695 
1 1 1 -24 -13 8  o 44.23434 6.889183  487.7220       122.5191 473.4949       
194.3976 497.0973       157.8058 42.91724 10.79161 45.55144 8.566481 -2.634197 
13.77837 
1 1 1 -24 -13 9  o 57.67022 5.598568  765.0452       124.3926 799.0021       
225.9502 750.2776       149.0063 57.43253 9.370780 57.90791 6.128976 
-0.4753761     11.19714 
1 1 1 -24 -13 10 o 41.92348 6.676280  452.3061       111.4642 398.0271       
193.7822 479.1446       136.2626 38.25745 11.29635 45.58952 7.119228 -7.332069 
13.35256 
1 1 1 -24 -13 11 o 40.45506 6.804021  376.5536       102.9514 548.3364       
204.9514 318.5801       119.0628 44.94633 10.94741 35.96379 8.082878 8.982533 
13.60804 
1 1 1 -24 -13 12 o 19.78140 6.288060  -38.89706      104.2352 85.34806       
179.4010 -102.2150      128.0703 23.85566 10.16772 15.70714 7.401094 8.148516 
12.57612 
1 1 1 -24 -13 13 o 24.60802 6.668607  143.2418       96.04969 106.8736       
163.2646 162.4913       118.7796 23.78362 9.894343 25.43241 8.943336 -1.648787 
13.33721 
1 1 1 -24 -13 14 o 51.59977 5.724478  690.4553       114.1733 570.4957       
180.0103 771.1928       147.6786 45.70761 9.677027 57.49193 6.118312 -11.78432 
11.44896 
1 1 1 -24 -13 15 o 18.98942 6.168245  -18.03934      113.1801 -62.03309      
158.3857 27.86595       161.7901 17.78478 8.342612 20.19406 9.087893 -2.409275 
12.33649 
1 1 1 -24 -13 16 o 25.80960 7.285206  184.4470       124.1756 333.5821       
188.0436 69.12546       165.3574 30.67408 11.20539 20.94511 9.313231 9.728970 
14.57041 
1 1 1 -24 -12 1  o 29.42458 8.723812  94.61106       167.8964 112.3557       
196.6945 46.97005       322.2916 27.81000 11.12955 31.03917 13.43699 -3.229168 
17.44762 
1 1 1 -24 -12 2  o 50.74986 6.676604  508.6291       132.3713 920.0924       
240.1431 329.0438       158.6500 64.10437 8.922851 37.39534 9.934329 26.70903 
13.35321 
1 1 1 -24 -12 3  o 79.24817 5.032264  1323.317       148.8083 1505.677       
292.8984 1259.869       172.7668 82.02892 8.504938 76.46742 5.381518 5.561493 
10.06453 
1 1 1 -24 -12 4  o 58.48639 6.118521  843.0455       129.4471 612.7245       
222.5714 960.7761       159.1283 50.38642 10.83252 66.58636 5.692242 -16.19994 
12.23704 
1 1 1 -24 -12 5  o 42.35744 6.894101  396.6462       118.1219 596.6682       
198.3489 286.7244       147.0391 50.10104 9.778692 34.61385 9.720684 15.48719 
13.78820 
1 1 1 -24 -12 6  o 21.90216 6.868122  -12.27225      121.7222 -59.36718      
207.5775 12.40833       150.2695 22.52262 10.20605 21.28170 9.193528 1.240915 
13.73624 
1 1 1 -24 -12 7  o 18.19630 5.943199  -97.84883      108.5900 -218.5191      
176.9215 -24.91401      137.5460 17.27496 8.311353 19.11765 8.497521 -1.842691 
11.88640 
1 1 1 -24 -12 8  o 53.94848 5.376118  659.3314       116.0354 677.0999       
196.3524 649.7961       143.8387 53.85235 8.684658 54.04462 6.339345 
-0.1922684     10.75224 
1 1 1 -24 -12 9  o 56.67447 5.347454  653.0828       114.4264 950.5020       
230.4173 555.7241       131.8311 63.49891 8.643106 49.85002 6.299030 13.64889 
10.69491 
1 1 1 -24 -12 10 o 33.65628 7.035524  253.3425       102.8166 426.4669       
183.5707 174.2079       124.1102 40.31419 10.67535 26.99837 9.166862 13.31581 
14.07105 
1 1 1 -24 -12 11 f 25.14935 7.051529  48.21514       105.6683 298.7720       
205.2690 -42.12074      123.2538 33.13417 11.74615 17.16454 7.805401 15.96963 
14.10306 
1 1 1 -24 -12 12 o 34.87352 7.219251  339.5104       111.3171 266.1076       
209.5695 368.3602       131.3841 31.30372 11.76265 38.44333 8.373198 -7.139603 
14.43850 
1 1 1 -24 -12 13 o 24.93621 6.550490  145.3768       95.64071 71.88847       
145.8450 200.8230       126.6829 22.01882 9.266197 27.85361 9.261385 -5.834785 
13.10098 
1 1 1 -24 -12 14 o 42.65162 6.525526  482.1839       110.0701 461.8293       
188.8266 492.6599       135.4655 39.91305 10.94518 45.39019 7.108662 -5.477142 
13.05105 
1 1 1 -24 -12 15 o 32.10978 7.611191  282.9786       115.2649 434.1701       
203.9441 212.0168       139.7204 36.71082 11.73407 27.50875 9.697040 9.202078 
15.22238 
1 1 1 -24 -12 16 o 17.84975 5.822067  -128.8530      115.7463 -415.8302      
170.9559 114.0405       157.2781 13.20459 6.659370 22.49492 9.551891 -9.290328 
11.64413 
1 1 1 -24 -12 17 o 21.40158 6.871141  63.09584       130.9569 113.1345       
210.4579 31.47978       167.2885 22.92659 10.33868 19.87658 9.053291 3.050013 
13.74228 
1 1 1 -24 -11 1  o 74.37029 5.742092  1157.242       174.2341 1493.178       
291.5708 970.6532       217.2993 82.20708 8.448039 66.53350 7.779274 15.67358 
11.48418 
1 1 1 -24 -11 2  o 30.87272 7.715582  204.9911       128.7334 69.40326       
227.9438 268.4906       155.9921 27.70980 11.61908 34.03564 10.15470 -6.325842 
15.43116 
1 1 1 -24 -11 3  o 42.85033 7.465134  422.8288       125.8486 476.3359       
227.5610 399.2535       151.0497 44.18949 11.97018 41.51116 8.923439 2.678329 
14.93027 
1 1 1 -24 -11 4  o 41.37633 7.233432  408.4061       123.5284 406.3183       
193.6686 409.8381       160.3904 40.97512 11.01752 41.77753 9.375735 
-0.8024178     14.46686 
1 1 1 -24 -11 5  o 24.97003 6.905393  28.02313       112.6994 239.9004       
184.1959 -98.75376      142.4813 32.36937 11.16036 17.57069 8.135367 14.79868 
13.81079 
1 1 1 -24 -11 6  o 62.13703 6.056263  954.7664       138.2954 661.0496       
224.8954 1133.370       175.3727 52.16427 10.63752 72.10979 5.792802 -19.94552 
12.11253 
1 1 1 -24 -11 7  o 39.07341 6.887402  341.1280       112.1242 531.8539       
186.3811 232.9549       140.3643 46.91880 9.782812 31.22803 9.697516 15.69077 
13.77480 
1 1 1 -24 -11 8  o 55.34200 5.841843  709.3737       117.4148 711.7725       
220.9489 708.4296       138.6057 53.91897 10.13327 56.76503 5.815960 -2.846058 
11.68369 
1 1 1 -24 -11 9  o 35.83566 7.051136  298.0895       104.7614 410.7609       
185.4258 245.2625       126.9671 39.99662 10.79227 31.67470 9.077493 8.321918 
14.10227 
1 1 1 -24 -11 10 o 51.48390 5.778471  614.8535       110.0750 652.3721       
204.3647 599.5207       130.6454 51.10650 9.877222 51.86130 6.000283 
-0.7547989     11.55694 
1 1 1 -24 -11 11 o 30.07528 7.583921  201.8803       114.9642 325.2055       
203.9579 144.4510       139.1814 34.58310 11.75133 25.56746 9.590077 9.015635 
15.16784 
1 1 1 -24 -11 12 o 51.27687 6.355388  626.0662       118.3348 710.2730       
229.7863 595.6743       138.0476 51.46734 10.96067 51.08641 6.436421 0.3809280 
12.71078 
1 1 1 -24 -11 13 o 24.62282 6.849510  102.0239       103.8422 229.6633       
171.1973 27.72755       130.6135 29.48147 10.69931 19.76417 8.554996 9.717304 
13.69902 
1 1 1 -24 -11 14 o 27.10707 6.732584  178.8726       95.27801 261.4880       
149.0966 121.8486       123.8700 30.88665 10.04733 23.32749 8.964477 7.559160 
13.46517 
1 1 1 -24 -11 15 o 39.19782 7.056353  386.2448       108.4527 569.5123       
203.0691 313.1121       128.2793 44.14438 10.98719 34.25127 8.857207 9.893112 
14.11271 
1 1 1 -24 -11 16 o 33.62687 6.464678  358.4885       105.1106 167.9428       
184.5332 450.0017       127.8842 25.25562 10.51368 41.99812 7.525338 -16.74249 
12.92936 
1 1 1 -24 -11 17 f 34.58659 7.475964  387.2643       119.1116 331.6124       
161.9092 452.9137       175.8517 31.79917 10.47014 37.37402 10.67409 -5.574854 
14.95193 
1 1 1 -24 -10 1  o 32.10958 7.909490  178.9796       145.8751 375.2711       
209.3376 -6.313052      203.3881 39.85989 11.73194 24.35928 10.61139 15.50060 
15.81898 
1 1 1 -24 -10 2  o 69.50699 5.218972  1048.167       144.1714 1079.861       
248.4843 1032.083       177.0122 69.85775 8.472381 69.15622 6.096675 0.7015305 
10.43794 
1 1 1 -24 -10 3  o 41.90596 7.170937  431.9204       126.2193 301.6511       
213.7796 501.6326       156.3866 36.09750 12.03095 47.71441 7.806762 -11.61691 
14.34187 
1 1 1 -24 -10 4  o 72.85094 5.351805  1186.638       157.3447 1105.927       
255.0308 1236.242       199.9318 70.28653 8.642544 75.41536 6.314561 -5.128830 
10.70361 
1 1 1 -24 -10 5  o 26.14710 7.157992  110.4860       118.1421 -17.75826      
192.9491 187.4020       149.4281 23.10327 10.19213 29.19093 10.05325 -6.087662 
14.31598 
1 1 1 -24 -10 6  o 26.83324 6.905439  137.3014       112.1888 -40.30003      
188.7984 234.2439       139.4865 22.11543 9.889107 31.55104 9.640847 -9.435610 
13.81088 
1 1 1 -24 -10 7  o 43.58895 6.473766  442.0405       106.7160 455.0775       
199.3379 436.8030       126.3466 42.76407 11.03295 44.41384 6.775888 -1.649773 
12.94753 
1 1 1 -24 -10 8  o 25.68684 6.564126  137.9465       98.93962 -31.91673      
183.0948 208.0043       117.5858 21.74856 9.731469 29.62511 8.811894 -7.876551 
13.12825 
1 1 1 -24 -10 9  o 32.08611 6.722356  268.5717       100.6592 138.3838       
185.4858 322.9167       119.8409 27.23105 10.83900 36.94118 7.954642 -9.710129 
13.44471 
1 1 1 -24 -10 10 o 42.38361 6.843522  426.3474       115.8082 544.1910       
194.0732 361.1813       144.3190 46.44986 10.22785 38.31737 9.095401 8.132492 
13.68704 
1 1 1 -24 -10 11 o 31.44688 7.561184  241.8553       111.1476 274.0441       
211.9377 229.6438       130.5391 32.54556 11.89534 30.34821 9.337399 2.197355 
15.12237 
1 1 1 -24 -10 12 o 42.39000 7.418219  436.6844       123.2290 597.7360       
226.3993 368.8845       146.8951 46.66219 11.59347 38.11780 9.258042 8.544395 
14.83644 
1 1 1 -24 -10 13 o 43.09864 6.538579  526.0620       115.8190 293.9443       
191.7941 659.2888       145.3037 32.57814 11.37315 53.61914 6.454729 -21.04101 
13.07716 
1 1 1 -24 -10 14 o 35.54340 7.265142  336.2538       112.9130 419.8718       
179.9274 281.9302       145.0246 38.75607 10.70901 32.33073 9.820705 6.425343 
14.53028 
1 1 1 -24 -10 15 o 21.28123 6.696694  2.836762       114.5137 126.4768       
197.3233 -59.94963      140.6150 25.17284 10.69431 17.38962 8.063164 7.783224 
13.39339 
1 1 1 -24 -10 16 o 36.26008 7.629171  345.9978       121.1644 603.0629       
217.5553 230.4087       145.8836 44.11067 11.59453 28.40949 9.918860 15.70118 
15.25834 
1 1 1 -24 -10 17 o 23.01570 6.939956  123.3052       116.5640 124.7693       
186.1238 122.3603       149.5167 23.37259 10.16595 22.65882 9.450159 0.7137737 
13.87991 
1 1 1 -24 -10 18 o 21.46735 6.472546  103.0139       103.0388 82.92551       
152.5842 119.8539       139.7041 20.93584 9.154837 21.99887 9.152287 -1.063025 
12.94509 
1 1 1 -24 -9  1  o 40.08104 11.95982  378.7514       216.3714 378.7514       
216.3714 0.000000       0.000000 40.08104 11.95982 ?        ?        ? ? 
1 1 1 -24 -9  2  o 81.24648 5.650117  1450.142       180.5285 1448.861       
314.8983 1450.769       220.3310 80.57499 9.308743 81.91796 6.406450 -1.342972 
11.30023 
1 1 1 -24 -9  3  o 31.30332 7.781849  190.8993       127.3725 300.8956       
200.7919 116.8318       164.7672 36.02032 11.65612 26.58632 10.31327 9.433992 
15.56370 
1 1 1 -24 -9  4  o 49.99794 7.256232  585.6948       144.5271 598.6308       
229.7778 577.2269       185.9070 49.96848 11.22760 50.02741 9.195248 
-0.5893707E-01 14.51246 
1 1 1 -24 -9  5  f 37.94246 7.316692  316.0938       117.6763 470.4981       
198.2721 232.1269       146.2130 44.21079 10.76711 31.67414 9.909860 12.53665 
14.63338 
1 1 1 -24 -9  6  o 43.79104 7.036742  453.4615       117.0221 441.7701       
225.5859 457.7660       136.8796 42.06894 12.11395 45.51314 7.163464 -3.444202 
14.07348 
1 1 1 -24 -9  7  o 37.11142 7.255236  362.4446       115.7921 211.1150       
230.0397 413.7982       134.0065 31.83045 12.22093 42.39240 7.823217 -10.56194 
14.51047 
1 1 1 -24 -9  8  o 25.39063 7.075872  115.9079       104.4423 25.86469       
216.7554 143.1350       119.1915 25.12687 10.95007 25.65438 8.964806 
-0.5275173     14.15174 
1 1 1 -24 -9  9  o 23.51321 6.704029  80.98478       105.6619 -126.3240      
215.4009 146.6754       121.2524 21.25694 9.903656 25.76948 9.038452 -4.512545 
13.40806 
1 1 1 -24 -9  10 o 51.62117 6.228242  560.5882       122.7663 843.4874       
235.5670 455.1030       143.8448 59.39370 9.447025 43.84863 8.118974 15.54507 
12.45648 
1 1 1 -24 -9  11 o 26.74425 7.387544  147.9469       113.5679 114.0722       
219.0386 160.4013       132.8143 27.03300 11.36506 26.45550 9.441324 0.5774956 
14.77509 
1 1 1 -24 -9  12 o 38.32494 7.392739  386.3703       116.2456 377.1830       
216.5958 390.0873       137.7682 36.77283 12.10994 39.87704 8.482911 -3.104206 
14.78548 
1 1 1 -24 -9  13 o 23.93855 7.024519  88.89796       108.3879 134.1750       
194.9493 68.64027       130.4000 26.33374 10.87454 21.54335 8.894937 4.790390 
14.04904 
1 1 1 -24 -9  14 o 30.60545 7.037453  239.2048       107.6164 346.6297       
159.8439 150.1406       145.5443 35.76126 10.16495 25.44965 9.735331 10.31161 
14.07491 
1 1 1 -24 -9  15 o 24.59028 6.796420  119.1143       102.5399 222.0641       
162.2832 50.69703       132.2951 28.68752 10.41646 20.49305 8.732855 8.194469 
13.59284 
1 1 1 -24 -9  16 o 42.29685 7.111965  510.9574       122.0037 459.4771       
215.4203 535.2675       148.0334 37.89653 12.05431 46.69718 7.550751 -8.800652 
14.22393 
1 1 1 -24 -9  17 o 18.02454 6.064022  -80.79953      112.8614 -26.11693      
204.1189 -104.8786      135.4498 20.46820 9.576648 15.58087 7.441589 4.887332 
12.12804 
1 1 1 -24 -9  18 o 27.52684 7.628290  234.8427       120.1758 341.4358       
218.1034 188.3717       144.0088 29.97227 11.80893 25.08140 9.659838 4.890875 
15.25658 
1 1 1 -24 -8  1  o 58.58772 5.893310  680.8672       136.5446 995.2506       
250.1227 547.3993       162.9715 67.10775 8.877720 50.06769 7.753096 17.04006 
11.78662 
1 1 1 -24 -8  2  o 59.87879 11.38873  842.0700       275.9792 0.000000       
0.000000 842.0700       275.9792 ?        ?        59.87879 11.38873 ? ? 
1 1 1 -24 -8  3  o 93.87164 5.222433  1825.660       188.1366 2181.699       
357.4947 1689.284       221.2535 99.21648 8.582362 88.52682 5.953007 10.68966 
10.44487 
1 1 1 -24 -8  4  o 57.03000 5.979272  711.7924       140.6265 781.2026       
224.4637 666.9469       180.4242 59.05252 9.053756 55.00747 7.812573 4.045055 
11.95854 
1 1 1 -24 -8  5  o 60.44213 5.091576  699.3686       115.3932 1051.771       
236.6603 589.4560       132.1690 68.73962 8.200480 52.14463 6.037277 16.59499 
10.18315 
1 1 1 -24 -8  6  o 44.36264 6.945677  503.0124       115.4123 359.7110       
225.7791 553.7019       134.2819 38.35904 12.35486 50.36625 6.350369 -12.00721 
13.89135 
1 1 1 -24 -8  7  o 25.86449 7.164781  117.5646       108.7327 47.64499       
208.1966 143.7881       127.5029 25.62204 10.93799 26.10694 9.257248 
-0.4849072     14.32956 
1 1 1 -24 -8  8  o 40.39885 6.993255  370.2567       112.9216 496.1589       
196.8529 308.5096       137.8586 44.89669 10.60056 35.90101 9.124177 8.995682 
13.98651 
1 1 1 -24 -8  9  o 31.72801 7.273267  202.6446       106.1884 375.5706       
193.5342 128.1623       127.0148 38.47165 11.26674 24.98438 9.201207 13.48727 
14.54653 
1 1 1 -24 -8  10 o 35.84416 6.365557  351.5020       108.8415 92.37966       
192.3797 473.4916       131.9982 25.77468 10.73265 45.91364 6.847744 -20.13897 
12.73111 
1 1 1 -24 -8  11 o 46.15433 6.355392  464.6853       117.0212 743.4066       
202.4408 324.8161       143.4082 56.18302 8.582504 36.12564 9.375750 20.05738 
12.71078 
1 1 1 -24 -8  12 o 50.70035 6.033593  535.7454       115.5596 845.1261       
227.3965 428.0290       134.1770 59.05345 9.171905 42.34725 7.841756 16.70620 
12.06719 
1 1 1 -24 -8  13 o 29.67169 7.408314  228.9213       121.7874 97.38637       
212.7960 292.9919       148.5157 25.80043 11.03754 33.54295 9.884595 -7.742516 
14.81663 
1 1 1 -24 -8  14 o 18.37310 5.963046  -52.29452      104.8730 -84.54330      
154.0734 -24.45499      143.1535 17.91418 8.357753 18.83202 8.507621 
-0.9178448     11.92609 
1 1 1 -24 -8  15 o 27.92752 6.927707  203.3288       104.2587 131.9130       
156.1817 260.7340       140.0258 24.70626 9.904902 31.14878 9.688416 -6.442518 
13.85541 
1 1 1 -24 -8  16 o 22.18328 6.794571  50.78490       112.4525 139.1050       
188.4412 1.938123       140.1406 25.30774 10.58553 19.05883 8.521225 6.248907 
13.58914 
1 1 1 -24 -8  17 f 30.58242 7.342134  280.0356       113.1780 308.1645       
158.7520 250.9620       161.3965 32.09400 10.36219 29.07084 10.40445 3.023163 
14.68427 
1 1 1 -24 -8  18 o 25.20119 7.043484  176.8394       103.7050 226.5715       
190.3856 155.8581       123.6609 26.62155 10.82923 23.78084 9.009468 2.840710 
14.08697 
1 1 1 -24 -7  1  o 78.48820 3.844862  1317.079       121.8936 1323.437       
202.0437 1313.441       152.8424 78.43132 6.135881 78.54509 4.634958 
-0.1137695     7.689725 
1 1 1 -24 -7  2  o 33.53692 6.862965  282.5261       109.4572 67.26745       
210.0204 362.7992       128.2525 26.98391 11.22364 40.08994 7.901331 -13.10603 
13.72593 
1 1 1 -24 -7  3  o 53.66273 6.861916  630.4389       148.5309 888.9232       
234.1724 456.4501       192.1229 63.27655 8.814831 44.04891 10.51866 19.22764 
13.72383 
1 1 1 -24 -7  4  o 51.03407 10.84806  616.4700       225.4462 616.4700       
225.4462 0.000000       0.000000 51.03407 10.84806 ?        ?        ? ? 
1 1 1 -24 -7  5  o 34.66940 6.460021  313.8161       110.8051 13.56782       
210.2769 429.2369       130.3747 25.05916 10.85098 44.27963 7.013108 -19.22047 
12.92004 
1 1 1 -24 -7  6  o 72.93715 4.970320  1036.042       129.8601 1444.386       
283.3347 927.4529       146.1100 80.28196 8.406260 65.59235 5.305762 14.68961 
9.940639 
1 1 1 -24 -7  7  o 26.24391 7.092339  89.87119       103.5036 233.9481       
190.6052 29.61931       123.2602 32.13614 11.32623 20.35168 8.539414 11.78446 
14.18468 
1 1 1 -24 -7  8  o 24.25643 6.961056  84.56015       104.9583 61.60183       
191.9017 94.35925       125.3723 25.18940 10.61613 23.32347 9.006835 1.865931 
13.92211 
1 1 1 -24 -7  9  o 46.46475 6.396461  407.0487       114.9288 862.6532       
222.7350 241.7318       134.1693 61.19510 8.669477 31.73441 9.407391 29.46068 
12.79292 
1 1 1 -24 -7  10 o 43.92913 7.151260  489.5485       121.0393 427.0490       
230.4038 513.3716       142.2493 40.10704 12.41834 47.75122 7.095561 -7.644184 
14.30252 
1 1 1 -24 -7  11 o 92.47922 5.198960  1948.646       169.8535 1945.756       
347.9913 1949.549       194.6099 90.38845 9.170151 94.56998 4.901540 -4.181534 
10.39792 
1 1 1 -24 -7  12 o 41.02699 7.235295  374.8994       112.1542 587.9238       
225.0767 304.5351       129.3576 46.93241 11.49793 35.12156 8.786098 11.81085 
14.47059 
1 1 1 -24 -7  13 o 24.42107 7.001580  110.1599       109.4178 6.786141       
215.6681 145.9908       126.9725 23.54263 10.54725 25.29951 9.211078 -1.756878 
14.00316 
1 1 1 -24 -7  14 o 39.93723 7.012592  419.4800       117.1689 409.4712       
166.8517 429.2176       164.5755 39.33345 10.06254 40.54102 9.769909 -1.207573 
14.02518 
1 1 1 -24 -7  15 o 22.58612 6.728574  62.01171       109.5896 145.1918       
167.4182 -0.3507779     144.9622 25.62929 10.26330 19.54295 8.703992 6.086336 
13.45715 
1 1 1 -24 -7  16 o 26.30594 7.263746  172.0081       116.4906 139.3714       
181.0706 195.0550       152.1603 25.34518 10.47415 27.26670 10.06679 -1.921516 
14.52749 
1 1 1 -24 -7  17 o 24.42154 6.869354  139.7112       107.7347 83.02753       
152.7743 195.7840       151.9489 22.07480 9.394993 26.76829 10.02428 -4.693487 
13.73871 
1 1 1 -24 -7  18 o 21.66644 6.712223  81.77052       110.7787 60.63160       
206.4522 90.31779       131.2781 22.24901 10.11335 21.08388 8.828129 1.165127 
13.42445 
1 1 1 -24 -7  19 o 23.50518 7.008533  140.5034       110.9096 203.3802       
200.0689 112.6080       133.2601 25.38769 10.77641 21.62266 8.963652 3.765028 
14.01707 
1 1 1 -24 -6  1  o 31.58026 6.718194  187.0000       101.3018 371.6189       
166.1631 77.79086       127.7985 40.03761 9.922750 23.12290 9.059557 16.91471 
13.43639 
1 1 1 -24 -6  2  o 29.41322 6.549241  132.5712       100.6332 356.5251       
164.6420 -0.9973195     127.1492 39.14724 9.984302 19.67919 8.478439 19.46805 
13.09848 
1 1 1 -24 -6  3  o 55.54500 4.888066  654.4180       110.9538 739.6077       
182.9651 604.8681       139.5392 58.17146 7.491683 52.91853 6.280721 5.252934 
9.776133 
1 1 1 -24 -6  4  o 36.58336 7.401346  313.2953       113.2834 296.9697       
211.1023 319.8979       134.2509 35.92103 11.95538 37.24570 8.728609 -1.324669 
14.80269 
1 1 1 -24 -6  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -24 -6  6  o 41.43127 7.206911  395.9524       117.5218 446.0754       
212.0747 373.7389       141.1817 42.72314 11.54797 40.13941 8.625703 2.583736 
14.41382 
1 1 1 -24 -6  7  o 76.18536 4.861157  1150.224       134.4154 1548.465       
285.6881 1037.003       152.3290 83.05841 8.192749 69.31230 5.234718 13.74611 
9.722315 
1 1 1 -24 -6  8  o 41.04016 7.092099  343.9622       115.5757 625.5414       
216.1550 231.2322       136.7680 50.79770 10.49304 31.28262 9.543979 19.51507 
14.18420 
1 1 1 -24 -6  9  o 59.80932 5.525241  718.1786       123.0046 1021.639       
253.0992 624.3408       140.7437 66.39728 9.079492 53.22136 6.298889 13.17592 
11.05048 
1 1 1 -24 -6  10 o 41.63670 6.762421  365.6635       110.9727 635.1742       
203.3646 251.3813       132.4270 51.07945 9.834025 32.19395 9.285111 18.88550 
13.52484 
1 1 1 -24 -6  11 f 56.55804 5.641485  709.7222       122.3684 811.2298       
229.3439 669.3237       144.6841 58.31031 9.368347 54.80578 6.288042 3.504528 
11.28297 
1 1 1 -24 -6  12 o 32.89799 7.462261  266.7262       112.3636 319.1561       
191.5612 239.2250       138.7376 34.82329 11.38861 30.97270 9.645776 3.850592 
14.92452 
1 1 1 -24 -6  13 o 36.81853 7.099789  363.5147       111.7156 297.3516       
195.5236 395.5834       136.1231 33.35397 11.49855 40.28310 8.331355 -6.929134 
14.19958 
1 1 1 -24 -6  14 o 54.09852 5.646199  641.7815       122.4995 909.3185       
215.9873 514.9124       148.7354 61.42281 8.375670 46.77423 7.574060 14.64857 
11.29240 
1 1 1 -24 -6  15 o 56.28159 5.849261  783.0427       132.6848 684.7930       
194.5190 868.5351       181.4513 51.73314 9.293797 60.83005 7.104981 -9.096912 
11.69852 
1 1 1 -24 -6  16 o 28.02642 7.394901  178.1540       123.2309 338.0163       
188.0416 57.81740       163.1472 33.96318 11.28350 22.08965 9.561425 11.87354 
14.78980 
1 1 1 -24 -6  17 o 22.53071 6.556058  61.92265       111.9709 204.9532       
153.9642 -98.65418      163.1349 27.39471 10.12383 17.66670 8.332801 9.728008 
13.11212 
1 1 1 -24 -6  18 o 22.79852 6.933570  90.79261       127.0114 -41.48564      
199.7057 180.6393       164.5876 20.04673 9.397210 25.55032 10.19755 -5.503590 
13.86714 
1 1 1 -24 -6  19 o 19.82813 6.342402  40.64104       107.2979 -2.878261      
202.2099 57.69680       126.5893 20.29496 9.503230 19.36128 8.401958 0.9336796 
12.68480 
1 1 1 -24 -5  1  o 21.98139 6.463292  28.64892       101.7264 -72.07496      
165.6518 89.63083       128.8933 20.21227 9.140369 23.75051 9.140580 -3.538237 
12.92658 
1 1 1 -24 -5  2  o 42.30461 6.228924  409.6467       105.0486 402.1076       
167.5592 414.5288       134.8382 41.65301 9.745021 42.95621 7.760963 -1.303207 
12.45785 
1 1 1 -24 -5  3  o 30.80591 6.763661  176.2582       101.1697 352.6445       
165.9127 71.85156       127.6472 38.84242 10.08636 22.76939 9.014089 16.07302 
13.52732 
1 1 1 -24 -5  4  o 61.27364 4.588241  813.4062       113.4061 816.5023       
188.2832 811.6435       142.0672 61.09136 7.340960 61.45591 5.506189 
-0.3645515     9.176481 
1 1 1 -24 -5  5  o 26.48419 7.202670  124.4462       107.8921 68.57643       
203.6381 146.2501       127.2149 26.47056 11.03357 26.49781 9.261429 
-0.2725220E-01 14.40534 
1 1 1 -24 -5  6  f 40.17966 8.689603  374.6466       142.4335 0.000000       
0.000000 374.6466       142.4335 ?        ?        40.17966 8.689603 ? ? 
1 1 1 -24 -5  7  o 50.22820 10.61622  607.0366       216.9574 607.0366       
216.9574 0.000000       0.000000 50.22820 10.61622 ?        ?        ? ? 
1 1 1 -24 -5  8  o 23.40381 6.923040  56.95132       107.2919 33.62904       
196.8498 66.80788       127.9711 24.60554 10.57405 22.20209 8.938869 2.403452 
13.84608 
1 1 1 -24 -5  9  o 37.82169 7.291872  351.7642       115.6714 341.5625       
197.6117 357.0815       142.6663 36.93985 11.51344 38.70352 8.951325 -1.763676 
14.58374 
1 1 1 -24 -5  10 o 38.75886 6.886428  393.7344       116.0734 237.4874       
202.1185 470.6230       141.7853 31.85161 11.61897 45.66611 7.395342 -13.81449 
13.77286 
1 1 1 -24 -5  11 o 30.93526 7.450719  196.6287       119.9277 374.9599       
193.8344 86.02171       152.6541 38.02856 11.31424 23.84195 9.697471 14.18661 
14.90144 
1 1 1 -24 -5  12 o 23.92805 6.769391  -10.23000      107.3581 269.3722       
192.7153 -136.0479      129.2758 32.52607 11.39609 15.33003 7.309432 17.19604 
13.53878 
1 1 1 -24 -5  13 o 71.24585 4.875587  1118.479       136.7735 1284.146       
245.1624 1043.616       164.8042 74.04607 7.886293 68.44563 5.735133 5.600441 
9.751173 
1 1 1 -24 -5  14 o 31.50535 7.325236  262.0245       114.4974 202.9981       
171.9152 309.0787       153.4937 28.70070 10.67945 34.31000 10.02924 -5.609301 
14.65047 
1 1 1 -24 -5  15 o 46.25305 6.590935  530.0592       121.6613 662.5704       
195.1378 445.7984       155.6066 50.78201 9.504642 41.72409 9.133647 9.057922 
13.18187 
1 1 1 -24 -5  16 o 21.62465 6.493397  4.192152       112.4585 180.2007       
165.3757 -147.2111      153.3813 26.88105 10.35195 16.36826 7.841804 10.51279 
12.98679 
1 1 1 -24 -5  17 o 26.37804 6.823612  162.1078       111.3368 10.19269       
162.2392 297.3344       153.0687 20.35841 9.133640 32.39767 10.14018 -12.03926 
13.64722 
1 1 1 -24 -5  18 o 26.46407 7.235955  196.1261       114.4117 210.7075       
159.2173 180.5577       164.5180 27.12229 10.23836 25.80584 10.22801 1.316446 
14.47191 
1 1 1 -24 -5  19 o 25.09683 6.896348  189.4511       112.5842 28.18563       
224.5804 243.5827       130.1147 21.68428 10.10652 28.50939 9.385991 -6.825111 
13.79270 
1 1 1 -24 -4  1  o 83.61060 4.373810  1552.110       144.0139 1355.882       
241.5686 1660.304       179.3750 78.97697 7.285528 88.24422 4.841688 -9.267250 
8.747621 
1 1 1 -24 -4  2  o 35.79369 6.820142  298.3636       103.5523 276.8278       
166.9765 311.8226       132.0021 34.69451 10.53760 36.89286 8.661193 -2.198357 
13.64028 
1 1 1 -24 -4  3  o 78.58382 4.124010  1278.487       128.4583 1482.666       
228.6658 1184.339       155.2758 82.72977 6.583555 74.43787 4.968564 8.291901 
8.248019 
1 1 1 -24 -4  4  o 28.98007 6.354883  180.7163       91.49985 82.59113       
130.1767 276.5352       128.6377 23.36172 9.145434 34.59843 8.826051 -11.23671 
12.70977 
1 1 1 -24 -4  5  o 54.34378 5.117300  665.9374       112.0303 566.0013       
176.8028 732.9807       144.8125 50.45667 8.346255 58.23090 5.923433 -7.774235 
10.23460 
1 1 1 -24 -4  6  o 33.69459 6.277217  279.0123       102.3203 75.68925       
160.9283 416.9833       132.5662 24.51929 9.962233 42.86989 7.639879 -18.35060 
12.55443 
1 1 1 -24 -4  7  o 37.22923 7.357669  317.8799       112.9080 381.0070       
202.7993 289.5226       135.9221 39.41867 11.52981 35.03980 9.143552 4.378868 
14.71534 
1 1 1 -24 -4  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -24 -4  9  o 93.89911 4.399107  1923.591       156.4086 1973.194       
293.3048 1903.880       184.8913 93.81904 7.446450 93.97919 4.686038 
-0.1601486     8.798214 
1 1 1 -24 -4  10 f 27.96508 7.482390  162.2456       117.6599 153.1989       
197.2568 167.2419       146.5934 28.35933 11.21233 27.57084 9.911025 0.7884960 
14.96478 
1 1 1 -24 -4  11 o 80.46396 4.641998  1398.578       151.3168 1633.985       
256.3853 1272.750       187.4443 85.00294 7.184231 75.92496 5.880425 9.077980 
9.283996 
1 1 1 -24 -4  12 o 22.78114 6.758455  53.37683       113.6469 -151.1940      
220.5314 127.3486       132.6116 20.76218 9.762210 24.80011 9.349124 -4.037928 
13.51691 
1 1 1 -24 -4  13 f 26.41250 7.338175  125.8308       112.5616 221.0067       
200.1618 81.81155       136.1252 30.21075 11.45739 22.61425 9.171880 7.596497 
14.67635 
1 1 1 -24 -4  14 o 25.17202 7.166667  123.3679       115.1378 112.6322       
180.8873 130.6800       149.2848 25.30604 10.46406 25.03801 9.795303 0.2680244 
14.33333 
1 1 1 -24 -4  15 o 27.74146 7.485934  187.2036       122.0831 154.0905       
178.4922 216.3114       167.3492 26.48102 10.60025 29.00190 10.57315 -2.520878 
14.97187 
1 1 1 -24 -4  16 o 44.75417 6.789985  537.5063       126.4028 397.3870       
185.1392 659.8517       172.9988 37.33000 11.04760 52.17833 7.897216 -14.84832 
13.57997 
1 1 1 -24 -4  17 o 41.13327 7.073311  466.7094       122.4046 373.3149       
170.5996 565.8018       175.7266 36.08023 10.58187 46.18631 9.388868 -10.10608 
14.14662 
1 1 1 -24 -4  18 o 17.63902 5.866845  -83.18662      112.3144 -37.83035      
155.2432 -132.9996      162.6916 18.46662 8.527869 16.81142 8.059463 1.655203 
11.73369 
1 1 1 -24 -4  19 o 20.12547 6.539917  19.59125       112.1780 43.22642       
224.4540 11.72203       129.5131 22.15419 10.23968 18.09675 8.138247 4.057438 
13.07983 
1 1 1 -24 -4  20 o 32.75790 7.797365  290.2622       115.8107 630.2591       
233.8123 179.7312       133.3129 40.86525 12.48097 24.65056 9.349918 16.21468 
15.59473 
1 1 1 -24 -3  1  o 77.60420 4.326401  1332.485       127.8122 1206.823       
230.4204 1388.332       153.6101 74.44945 7.371918 80.75895 4.530541 -6.309502 
8.652802 
1 1 1 -24 -3  2  o 60.03048 5.185102  817.9783       123.7566 658.8027       
197.3360 921.1657       158.8845 54.59423 8.609552 65.46673 5.780720 -10.87250 
10.37020 
1 1 1 -24 -3  3  o 43.20042 6.073463  380.8702       106.5283 663.5965       
178.5977 224.7325       132.7232 55.00411 7.733958 31.39673 9.366629 23.60739 
12.14693 
1 1 1 -24 -3  4  o 23.06119 6.527647  62.32796       99.68460 -29.39040      
158.6470 122.1636       128.1397 20.85179 9.214801 25.27059 9.248141 -4.418793 
13.05529 
1 1 1 -24 -3  5  o 113.5550 3.899430  2798.404       181.0352 2678.220       
287.2190 2877.623       233.1880 111.1625 6.154258 115.9475 4.790336 -4.784920 
7.798859 
1 1 1 -24 -3  6  o 24.01904 6.722071  79.27940       99.42414 125.9478       
157.0728 48.08072       128.4273 26.46714 10.11674 21.57095 8.854177 4.896187 
13.44414 
1 1 1 -24 -3  7  o 113.8621 4.665987  2873.474       212.4731 2726.384       
353.4544 2956.703       265.8743 110.7684 7.600435 116.9558 5.414714 -6.187401 
9.331974 
1 1 1 -24 -3  8  f 88.84451 5.213646  1760.793       167.6659 1746.516       
333.0241 1765.641       194.0542 87.28462 9.087806 90.40441 5.112749 -3.119789 
10.42729 
1 1 1 -24 -3  9  o 19.85948 8.730905  -11.00885      140.3195 0.000000       
0.000000 -11.00885      140.3195 ?        ?        19.85948 8.730905 ? ? 
1 1 1 -24 -3  10 o 38.09520 6.768810  362.6487       115.3904 196.7389       
167.3382 513.0580       159.3296 29.48021 10.58992 46.71018 8.433310 -17.22997 
13.53762 
1 1 1 -24 -3  11 o 26.94075 7.060587  143.4140       108.7698 229.0784       
162.0898 73.23902       146.7056 30.78504 10.47598 23.09647 9.468968 7.688576 
14.12117 
1 1 1 -24 -3  12 o 78.91112 4.776737  1422.715       146.9299 1348.886       
255.7194 1459.100       179.5216 76.26968 7.986064 81.55255 5.243247 -5.282875 
9.553473 
1 1 1 -24 -3  13 o 29.75073 7.362513  222.5940       116.1044 142.2984       
196.3222 265.7828       143.9823 27.13785 11.01137 32.36361 9.776302 -5.225763 
14.72503 
1 1 1 -24 -3  14 o 53.79484 5.801622  677.3215       128.7941 755.9135       
205.3539 626.3615       165.3595 55.88150 8.752982 51.70817 7.617126 4.173328 
11.60324 
1 1 1 -24 -3  15 o 29.39299 7.504728  221.0692       118.1643 247.8751       
179.5191 200.5765       156.9623 30.55235 10.96923 28.23362 10.24499 2.318735 
15.00946 
1 1 1 -24 -3  16 o 20.95263 6.558614  -12.90740      116.2222 112.1725       
178.1057 -105.6673      153.3783 24.63587 10.29696 17.26939 8.126155 7.366484 
13.11723 
1 1 1 -24 -3  17 o 22.02246 6.676927  49.21270       115.5784 140.7211       
159.8474 -51.04341      167.3133 24.90898 10.00621 19.13595 8.843147 5.773029 
13.35385 
1 1 1 -24 -3  18 o 23.06900 6.957415  97.79737       119.7769 55.63422       
185.7740 127.7939       156.6945 22.28854 9.894975 23.84946 9.783249 -1.560921 
13.91483 
1 1 1 -24 -3  19 o 24.67604 7.149357  120.2186       114.6392 314.7657       
201.1160 26.58311       139.5258 30.24638 11.48064 19.10570 8.523388 11.14069 
14.29871 
1 1 1 -24 -3  20 o 36.22731 7.615850  396.1216       115.9032 566.9186       
214.6593 325.8379       137.7008 39.70030 11.92585 32.75432 9.475169 6.945980 
15.23170 
1 1 1 -24 -2  1  o 40.34895 6.479879  350.5873       106.6557 523.5143       
173.8146 246.1534       135.0751 47.92896 8.970034 32.76895 9.353813 15.16002 
12.95976 
1 1 1 -24 -2  2  o 93.51073 3.929987  1791.284       149.8147 2250.640       
251.4392 1538.447       186.5429 102.2644 5.856385 84.75707 5.242322 17.50732 
7.859974 
1 1 1 -24 -2  3  o 63.08167 4.441247  820.1398       114.0677 1033.682       
192.2188 704.0630       141.7187 69.01255 6.634203 57.15079 5.906442 11.86176 
8.882495 
1 1 1 -24 -2  4  o 39.42718 6.235486  321.0478       105.2440 565.9366       
171.6705 173.5870       133.2139 50.58951 8.082697 28.26485 9.497113 22.32466 
12.47097 
1 1 1 -24 -2  5  f 44.61063 6.067405  461.5635       108.9915 398.6963       
167.9752 507.2777       143.2381 41.11243 9.846847 48.10883 7.091772 -6.996399 
12.13481 
1 1 1 -24 -2  6  o 80.05209 4.448308  1358.004       146.2137 1575.572       
238.5652 1227.111       185.0408 84.85672 6.696409 75.24747 5.857291 9.609253 
8.896615 
1 1 1 -24 -2  7  o 22.77842 6.653899  54.48396       102.1297 55.51652       
159.4408 53.76551       132.9958 23.55450 9.787068 22.00233 9.017248 1.552164 
13.30780 
1 1 1 -24 -2  8  o 46.02738 5.760309  465.7924       106.1402 691.2895       
166.6666 311.9412       137.6666 55.82052 7.111739 36.23424 9.063542 19.58628 
11.52062 
1 1 1 -24 -2  9  o 51.71767 5.307720  589.1812       109.4898 811.1996       
169.2992 429.5601       143.5508 60.53535 6.661423 42.89997 8.265168 17.63538 
10.61544 
1 1 1 -24 -2  10 o 32.77731 6.957463  259.8966       115.8949 90.51034       
173.9431 395.1234       155.4174 25.15914 10.31192 40.39548 9.342883 -15.23634 
13.91493 
1 1 1 -24 -2  11 o 69.05873 7.138952  1076.992       206.9817 1076.992       
206.9817 0.000000       0.000000 69.05873 7.138952 ?        ?        ? ? 
1 1 1 -24 -2  12 o 29.51206 7.640114  188.8878       115.7139 266.0825       
211.0744 155.7194       138.3578 32.59052 11.87506 26.43361 9.616045 6.156904 
15.28023 
1 1 1 -24 -2  13 o 34.66623 7.309002  261.1265       116.1735 506.6012       
201.6330 139.1438       142.1370 43.83298 10.97176 25.49947 9.659532 18.33351 
14.61800 
1 1 1 -24 -2  14 o 45.30602 6.899987  547.8704       126.6293 411.5604       
205.0857 631.8557       160.9804 38.47902 11.67663 52.13301 7.354974 -13.65399 
13.79997 
1 1 1 -24 -2  15 o 24.79412 6.465990  51.25381       118.9492 -281.1055      
181.8412 299.8372       157.2622 16.10813 7.900540 33.48011 10.23804 -17.37197 
12.93198 
1 1 1 -24 -2  16 o 35.76395 7.460328  362.4453       123.1673 283.3820       
187.7511 422.1758       163.1898 31.74432 11.23574 39.78358 9.817540 -8.039265 
14.92066 
1 1 1 -24 -2  17 o 38.38939 7.191458  406.0701       119.0514 494.0118       
174.3447 329.2389       162.9596 42.65548 9.915009 34.12330 10.41925 8.532181 
14.38292 
1 1 1 -24 -2  18 o 29.03165 6.650486  186.0690       116.0632 441.5554       
168.3286 -45.47074      160.2458 39.41808 10.12047 18.64523 8.630875 20.77286 
13.30097 
1 1 1 -24 -2  19 o 23.33104 6.920435  62.75375       120.8312 289.4382       
192.7148 -84.08755      155.1059 29.57523 11.23466 17.08686 8.084064 12.48837 
13.84087 
1 1 1 -24 -2  20 o 17.62702 5.841609  -46.70205      110.6294 -231.0536      
207.0164 26.99096       130.8864 16.81799 8.283380 18.43605 8.239127 -1.618063 
11.68322 
1 1 1 -24 -1  1  o 73.97685 4.566781  1168.891       134.5822 1232.816       
232.3836 1136.630       165.0850 75.14751 7.365665 72.80619 5.400827 2.341324 
9.133562 
1 1 1 -24 -1  2  o 37.31532 8.057044  298.8591       124.8532 401.2982       
245.8482 263.2572       144.9342 40.88978 12.86153 33.74087 9.707979 7.148907 
16.11409 
1 1 1 -24 -1  3  o 53.37936 5.860100  670.1486       119.2813 531.3682       
193.9548 754.5665       151.2702 47.67717 10.00857 59.08156 6.098494 -11.40439 
11.72020 
1 1 1 -24 -1  4  o 90.93530 4.608745  1767.702       154.0641 1862.694       
305.1340 1735.199       178.4855 91.79707 7.917404 90.07352 4.719835 1.723557 
9.217490 
1 1 1 -24 -1  5  o 23.72115 6.677181  80.85004       97.96782 73.83787       
159.1335 85.12969       124.3194 24.37812 9.905970 23.06419 8.956045 1.313927 
13.35436 
1 1 1 -24 -1  6  o 33.79015 7.083590  264.6070       107.1733 314.1355       
163.5668 227.3466       141.8701 36.27141 10.27391 31.30888 9.754781 4.962524 
14.16718 
1 1 1 -24 -1  7  o 37.29239 6.727623  333.9011       105.1990 307.2570       
162.4563 353.1417       138.0527 35.75178 10.27531 38.83300 8.686872 -3.081223 
13.45525 
1 1 1 -24 -1  8  o 19.98863 6.249755  -21.12116      102.1324 -5.931442      
157.4742 -32.14942      134.1801 21.18791 9.282430 18.78934 8.371037 2.398567 
12.49951 
1 1 1 -24 -1  9  o 55.98077 5.180582  723.5020       116.7634 595.7599       
181.6108 813.5123       152.4479 51.04110 8.475061 60.92044 5.960456 -9.879349 
10.36116 
1 1 1 -24 -1  10 o 35.39835 6.943191  307.8983       105.8909 302.8041       
165.4665 311.4317       137.8046 34.92999 10.46605 35.86671 9.126522 
-0.9367180     13.88638 
1 1 1 -24 -1  11 o 42.19453 6.831927  439.0771       118.1319 438.2070       
176.1753 439.7879       159.2339 41.86594 10.12040 42.52312 9.180330 
-0.6571846     13.66385 
1 1 1 -24 -1  12 o 75.92510 8.475566  1352.992       270.1674 0.000000       
0.000000 1352.992       270.1674 ?        ?        75.92510 8.475566 ? ? 
1 1 1 -24 -1  13 f 35.68715 7.643085  309.9846       119.5122 437.7690       
206.9701 246.0636       146.3829 40.17385 11.61478 31.20043 9.937998 8.973421 
15.28617 
1 1 1 -24 -1  14 o 24.02230 7.085912  89.83692       117.2370 50.10563       
195.2398 112.2414       146.6119 23.85032 10.39310 24.19429 9.634525 
-0.3439751     14.17182 
1 1 1 -24 -1  15 o 49.28600 6.639897  609.0463       131.5901 637.5406       
209.9880 590.6212       168.8575 48.96371 10.51766 49.60828 8.107507 
-0.6445656     13.27979 
1 1 1 -24 -1  16 o 39.84938 6.954611  443.8788       124.9002 270.5732       
191.5947 571.9589       164.7094 31.17332 11.31823 48.52544 8.084811 -17.35212 
13.90922 
1 1 1 -24 -1  17 o 48.66697 6.152903  600.8632       122.8705 606.8686       
179.7010 595.5907       168.3812 48.23892 9.203138 49.09503 8.169156 
-0.8561096     12.30581 
1 1 1 -24 -1  18 o 26.82528 7.261498  193.9874       114.6314 170.1101       
163.9374 216.8306       160.3486 25.79381 10.21414 27.85676 10.32418 -2.062944 
14.52300 
1 1 1 -24 -1  19 o 28.65760 7.464083  255.5659       118.5793 242.9325       
181.9048 264.9016       156.3699 27.92532 10.83560 29.38988 10.26840 -1.464558 
14.92817 
1 1 1 -24 -1  20 f 18.74201 6.239400  -82.98103      112.6296 133.3006       
206.8430 -174.1355      134.2827 23.52902 10.44394 13.95499 6.829687 9.574036 
12.47880 
1 1 1 -24 0   1  o 21.46735 6.690030  -42.26324      115.2807 38.26446       
186.5674 -91.99825      146.6203 24.71057 10.44349 18.22413 8.364186 6.486444 
13.38006 
1 1 1 -24 0   2  o 44.31647 6.843650  533.8516       130.1713 172.5853       
221.7317 723.8398       160.7968 30.92447 11.97059 57.70847 6.636803 -26.78400 
13.68730 
1 1 1 -24 0   3  o 43.33251 6.432044  476.6784       112.0388 267.3155       
183.9087 600.2375       141.2830 34.08739 11.15881 52.57763 6.400441 -18.49025 
12.86409 
1 1 1 -24 0   4  o 76.92686 4.430773  1218.199       132.4659 1467.205       
246.5734 1117.176       157.0548 81.75605 7.183686 72.09768 5.188609 9.658371 
8.861547 
1 1 1 -24 0   5  o 53.61804 5.625587  693.9731       113.3952 466.2982       
177.1460 852.0291       147.5975 44.44421 9.759207 62.79187 5.598824 -18.34766 
11.25117 
1 1 1 -24 0   6  o 37.35779 7.008419  324.5595       110.4171 391.0641       
174.0849 279.7964       142.8220 40.33390 10.25456 34.38168 9.555927 5.952229 
14.01684 
1 1 1 -24 0   7  o 81.71962 4.256851  1467.992       140.6995 1412.290       
229.3522 1501.605       178.1634 80.02515 6.826491 83.41409 5.087448 -3.388939 
8.513701 
1 1 1 -24 0   8  o 59.71705 5.079700  820.6986       121.3652 679.3583       
192.1452 914.5178       156.5462 54.68049 8.369863 64.75362 5.758371 -10.07313 
10.15940 
1 1 1 -24 0   9  o 38.97778 6.119370  405.8409       112.0466 79.95728       
178.2536 618.7082       144.0659 25.06567 10.37752 52.88989 6.487982 -27.82422 
12.23874 
1 1 1 -24 0   10 o 52.25291 5.499510  604.6682       115.3394 812.5657       
181.8063 464.6351       149.2105 60.08579 7.207060 44.42003 8.308834 15.66576 
10.99902 
1 1 1 -24 0   11 o 65.90984 4.782441  980.5657       130.0637 942.0261       
200.5239 1008.555       170.8861 64.34738 7.422606 67.47231 6.032570 -3.124924 
9.564882 
1 1 1 -24 0   12 o 29.34639 7.508465  187.7537       111.8474 267.6519       
202.3882 152.6229       134.2027 32.54629 11.65077 26.14650 9.474583 6.399792 
15.01693 
1 1 1 -24 0   13 o 28.30596 9.970615  193.4804       147.6904 0.000000       
0.000000 193.4804       147.6904 ?        ?        28.30596 9.970615 ? ? 
1 1 1 -24 0   14 o 79.62316 6.137458  1523.844       204.3334 1353.126       
280.0216 1718.275       298.8372 74.54901 8.946863 84.69731 8.404000 -10.14830 
12.27492 
1 1 1 -24 0   15 o 23.85229 7.094049  87.37827       119.7352 93.55047       
183.4200 82.79492       158.0587 24.49894 10.35458 23.20564 9.699730 1.293308 
14.18810 
1 1 1 -24 0   16 o 77.25461 5.129276  1371.239       160.4759 1571.247       
270.6027 1262.742       199.3045 80.52985 8.003801 73.97937 6.416934 6.550476 
10.25855 
1 1 1 -24 0   17 o 17.23580 5.781416  -155.8067      117.2011 -298.2719      
169.3878 -24.96308      162.3320 14.89409 7.360687 19.57750 8.917364 -4.683405 
11.56283 
1 1 1 -24 0   18 o 28.35009 7.296045  222.3650       118.5241 124.9482       
172.6486 309.2015       163.0037 24.22068 10.13165 32.47950 10.50137 -8.258814 
14.59209 
1 1 1 -24 0   19 o 20.62235 6.505355  38.53028       116.3076 -23.37849      
176.6367 85.91689       154.5371 19.49672 9.039006 21.74798 9.358148 -2.251253 
13.01071 
1 1 1 -24 0   20 o 19.47411 6.408555  -6.027496      120.6549 31.68108       
206.6998 -25.51633      148.5980 21.15196 9.795505 17.79625 8.265979 3.355705 
12.81711 
1 1 1 -24 1   1  o 95.62237 4.629853  1904.187       169.2621 2194.058       
321.4845 1793.017       199.0911 99.83580 7.669991 91.40894 5.187811 8.426865 
9.259706 
1 1 1 -24 1   2  o 66.86983 5.489894  867.4168       139.6633 1294.130       
278.6468 724.2510       161.4008 76.08529 8.723171 57.65436 6.667985 18.43093 
10.97979 
1 1 1 -24 1   3  o 23.85677 6.448420  67.39566       105.0243 -156.9260      
178.5559 186.0548       129.8641 18.87430 8.854451 28.83923 9.376947 -9.964928 
12.89684 
1 1 1 -24 1   4  o 48.19207 6.326066  528.9943       120.3110 542.0997       
200.2641 521.5932       150.4963 47.75336 10.28312 48.63079 7.371154 
-0.8774338     12.65213 
1 1 1 -24 1   5  o 19.07500 6.072699  -62.72189      105.0680 -143.7650      
158.0249 1.491551       140.6632 17.65831 8.292257 20.49169 8.874071 -2.833374 
12.14540 
1 1 1 -24 1   6  o 44.16815 6.219795  455.1327       111.9537 412.2657       
169.5159 488.2939       149.0955 41.50232 9.861332 46.83398 7.582712 -5.331657 
12.43959 
1 1 1 -24 1   7  o 78.28670 4.099929  1333.411       133.5283 1350.349       
203.3493 1320.572       177.0463 78.53489 6.167386 78.03850 5.403796 0.4963913 
8.199858 
1 1 1 -24 1   8  o 81.24953 4.219275  1451.443       142.5765 1397.172       
214.2110 1494.608       191.0397 79.62229 6.408082 82.87676 5.490501 -3.254471 
8.438550 
1 1 1 -24 1   9  o 45.87563 5.905879  488.7842       109.4521 485.5010       
169.2878 491.1424       143.4730 44.98885 9.279645 46.76242 7.307927 -1.773567 
11.81176 
1 1 1 -24 1   10 o 61.94416 4.517946  848.5709       113.6010 867.5112       
186.3874 837.3766       143.2917 62.05927 7.153705 61.82905 5.520133 0.2302246 
9.035892 
1 1 1 -24 1   11 o 42.89983 6.057312  419.4158       106.3854 616.1328       
166.7664 284.4256       138.1461 51.86147 7.659222 33.93818 9.386185 17.92329 
12.11462 
1 1 1 -24 1   12 o 30.88131 6.451658  234.4547       104.0476 51.62806       
158.5363 372.7888       137.9029 22.62359 9.597473 39.13903 8.624619 -16.51544 
12.90332 
1 1 1 -24 1   13 o 43.98388 6.144761  491.5155       108.4499 351.5407       
165.8315 596.1176       143.3548 36.73932 10.32500 51.22843 6.665338 -14.48911 
12.28952 
1 1 1 -24 1   14 o 55.39796 6.272061  697.5325       138.8206 920.5373       
246.5212 593.9809       167.9871 60.73448 9.668076 50.06144 7.992704 10.67305 
12.54412 
1 1 1 -24 1   15 o 46.72816 11.57850  611.3331       226.2786 611.3331       
226.2786 0.000000       0.000000 46.72816 11.57850 ?        ?        ? ? 
1 1 1 -24 1   16 o 20.89496 6.528672  -41.29211      118.6872 141.1170       
179.7922 -182.1764      158.0079 25.73798 10.50559 16.05194 7.754147 9.686045 
13.05734 
1 1 1 -24 1   17 o 25.57441 7.213206  146.0189       117.9443 210.8868       
173.4642 90.24475       160.8464 28.10163 10.66349 23.04719 9.716549 5.054443 
14.42641 
1 1 1 -24 1   18 o 21.75768 6.739860  55.73885       117.5828 76.02238       
170.5759 37.37430       162.3065 22.50336 9.759084 21.01200 9.298554 1.491356 
13.47972 
1 1 1 -24 1   19 o 22.71128 6.579061  54.10109       117.9433 -163.2748      
168.8462 261.2356       164.8207 16.37068 7.926617 29.05189 10.50261 -12.68120 
13.15812 
1 1 1 -24 1   20 o 17.27126 5.866127  -88.35982      113.3539 -82.51779      
203.1125 -91.00243      136.6065 18.87133 9.036895 15.67119 7.482000 3.200142 
11.73225 
1 1 1 -24 2   1  f 29.99496 7.746486  177.9527       121.2286 217.9775       
211.2141 158.2897       148.0415 32.23043 11.86574 27.75949 9.961743 4.470942 
15.49297 
1 1 1 -24 2   2  o 37.38562 7.852810  320.6847       123.7491 372.5284       
228.8187 299.2528       147.1206 39.13173 12.42112 35.63951 9.611569 3.492218 
15.70562 
1 1 1 -24 2   3  o 26.98351 6.972785  146.4919       105.3593 56.91925       
178.2401 194.5982       130.6227 24.67951 10.30709 29.28750 9.393771 -4.607986 
13.94557 
1 1 1 -24 2   4  o 36.13398 6.691977  317.1240       115.2570 110.1264       
172.1465 485.3045       155.1684 26.33880 10.45513 45.92916 8.355863 -19.59036 
13.38395 
1 1 1 -24 2   5  o 22.79507 6.630314  47.05861       106.2274 -37.07161      
160.2798 112.9609       141.8578 20.49623 9.139761 25.09390 9.607759 -4.597673 
13.26063 
1 1 1 -24 2   6  o 71.91449 4.414588  1136.623       132.5597 1085.336       
194.9687 1180.713       180.7707 70.21805 6.613590 73.61094 5.849340 -3.392891 
8.829176 
1 1 1 -24 2   7  o 33.45447 5.490563  252.6557       92.79845 19.35724       
132.5530 476.9128       129.9591 20.45011 8.728784 46.45882 6.662843 -26.00871 
10.98113 
1 1 1 -24 2   8  o 59.15846 5.158810  786.1914       124.5096 773.8289       
199.5841 794.0682       159.3114 58.31247 8.152402 60.00446 6.323894 -1.691986 
10.31762 
1 1 1 -24 2   9  o 21.03247 6.368624  12.08565       104.2077 -81.99887      
161.5915 79.07027       136.3474 19.10220 8.772908 22.96274 9.234368 -3.860538 
12.73725 
1 1 1 -24 2   10 o 35.45648 6.734808  291.7221       107.2029 462.1196       
165.5676 168.7155       140.6721 43.56060 9.323685 27.35236 9.721085 16.20825 
13.46962 
1 1 1 -24 2   11 o 85.28801 4.242829  1602.162       143.7954 1654.791       
247.6791 1575.404       176.6073 85.59453 6.892305 84.98150 4.950002 0.6130295 
8.485659 
1 1 1 -24 2   12 o 53.74364 4.955884  654.7156       107.6271 669.8975       
178.1231 645.9855       135.0723 53.65627 7.907167 53.83101 5.976608 
-0.1747398     9.911768 
1 1 1 -24 2   13 o 19.23334 5.848472  -54.50034      101.4887 -298.9059      
158.4436 115.5412       132.1590 14.52209 7.162872 23.94459 9.247256 -9.422504 
11.69694 
1 1 1 -24 2   14 o 39.44786 6.506238  381.3384       105.4201 505.2733       
165.2049 296.2085       136.9201 44.89460 9.082384 34.00112 9.318521 10.89347 
13.01248 
1 1 1 -24 2   15 o 32.94981 6.161016  310.6143       103.4853 51.60509       
189.1600 421.2456       123.6263 23.32918 10.19737 42.57044 6.917095 -19.24126 
12.32203 
1 1 1 -24 2   16 o 20.03951 9.057890  -13.84904      162.4826 0.000000       
0.000000 -13.84904      162.4826 ?        ?        20.03951 9.057890 ? ? 
1 1 1 -24 2   17 o 22.51138 6.735569  32.09272       118.2213 198.7101       
175.3999 -106.6118      160.0348 27.53314 10.64903 17.48962 8.250442 10.04351 
13.47114 
1 1 1 -24 2   18 o 22.03239 6.713729  61.66604       116.6507 -20.02024      
167.7593 138.1350       162.3134 19.63751 8.985210 24.42727 9.978107 -4.789766 
13.42746 
1 1 1 -24 2   19 o 25.36787 6.850107  122.4405       120.9618 350.5579       
173.5141 -93.24117      168.7183 33.12255 10.83888 17.61319 8.379418 15.50936 
13.70021 
1 1 1 -24 2   20 o 20.28588 6.524886  38.48188       114.5430 60.79187       
206.6709 28.59061       137.6117 21.77733 9.967914 18.79444 8.422426 2.982895 
13.04977 
1 1 1 -24 3   1  o 79.40710 4.394685  1350.691       135.7699 1433.954       
245.5173 1314.013       162.9530 80.62299 7.253444 78.19121 4.963928 2.431786 
8.789371 
1 1 1 -24 3   2  o 31.50654 8.119596  174.6706       125.5494 333.3196       
249.7384 121.0145       145.2366 37.32183 12.98283 25.69125 9.754869 11.63059 
16.23919 
1 1 1 -24 3   3  o 25.58144 7.259130  98.52862       117.5834 34.76868       
201.6196 131.3916       144.7478 25.02201 10.72542 26.14087 9.784946 -1.118868 
14.51826 
1 1 1 -24 3   4  o 94.35807 4.579144  1965.343       179.9483 1730.710       
258.4910 2185.976       250.6603 88.54806 6.953243 100.1681 5.960425 -11.62003 
9.158289 
1 1 1 -24 3   5  o 32.94073 7.118723  244.3931       110.1858 359.1274       
168.7241 159.0749       145.4960 38.45145 10.25857 27.43002 9.872520 11.02143 
14.23745 
1 1 1 -24 3   6  o 48.73334 4.876216  528.9719       99.20717 483.5966       
143.2117 570.8361       137.5592 46.54695 7.328386 50.91972 6.434648 -4.372776 
9.752432 
1 1 1 -24 3   7  o 79.29765 4.082554  1334.657       129.4248 1507.822       
224.9473 1248.967       158.2398 82.61590 6.485422 75.97942 4.960676 6.636482 
8.165109 
1 1 1 -24 3   8  o 43.89923 6.293607  455.9020       111.0404 482.1540       
170.6310 436.6178       146.2441 44.72818 9.386036 43.07027 8.386911 1.657909 
12.58721 
1 1 1 -24 3   9  o 56.98309 5.189106  752.7169       119.1149 646.5902       
187.8670 824.0609       154.0343 52.86316 8.464834 61.10303 6.004485 -8.239864 
10.37821 
1 1 1 -24 3   10 o 26.41317 6.979143  148.6823       104.5793 120.1243       
159.3107 170.3074       138.6311 25.51012 10.07933 27.31621 9.656127 -1.806091 
13.95829 
1 1 1 -24 3   11 o 40.66571 6.480363  390.4605       107.5011 532.5326       
170.3534 296.4457       138.5781 46.80441 8.990068 34.52702 9.335903 12.27739 
12.96073 
1 1 1 -24 3   12 o 32.71492 6.632071  238.5136       96.74493 407.5664       
162.7976 146.2182       120.2892 40.09056 9.751977 25.33928 8.990909 14.75128 
13.26414 
1 1 1 -24 3   13 o 32.59424 6.837845  273.9672       99.27191 254.8683       
163.2547 285.1725       125.0471 31.37909 10.51356 33.80940 8.745831 -2.430313 
13.67569 
1 1 1 -24 3   14 o 50.75513 5.475440  589.2853       113.8294 702.9326       
187.4685 522.9167       143.2618 54.11900 8.250865 47.39125 7.200346 6.727757 
10.95088 
1 1 1 -24 3   15 o 36.37049 6.323922  362.6426       107.4283 164.1451       
167.7390 500.6813       139.8804 26.57930 10.38621 46.16167 7.217662 -19.58237 
12.64784 
1 1 1 -24 3   16 o 24.96436 6.356488  119.8179       97.36514 267.8047       
139.5066 -20.72456      135.9524 31.58608 9.639552 18.34263 8.288472 13.24344 
12.71298 
1 1 1 -24 3   17 o 36.42299 7.536371  388.5505       127.2832 291.1006       
187.0829 472.5329       173.6751 31.47403 11.20810 41.37196 10.07800 -9.897924 
15.07274 
1 1 1 -24 3   18 o 20.39105 6.766777  -51.08707      142.7336 1.868244       
170.6006 -174.6431      260.5899 20.26287 9.205972 20.51924 9.920038 
-0.2563725     13.53355 
1 1 1 -24 3   19 o 26.28531 7.230154  204.0936       115.3955 179.5420       
171.2713 224.5042       156.1611 25.29095 10.27684 27.27967 10.17286 -1.988722 
14.46031 
1 1 1 -24 3   20 o 24.62712 7.216156  169.2464       115.0717 226.1991       
208.2426 144.2115       138.0656 26.17850 11.04718 23.07574 9.287166 3.102757 
14.43231 
1 1 1 -24 4   1  o 80.31863 5.098752  1349.735       150.6699 1600.869       
305.5560 1269.055       173.1893 84.05287 8.658832 76.58438 5.386441 7.468491 
10.19750 
1 1 1 -24 4   2  o 58.00874 6.541908  825.2015       139.5431 654.4996       
241.3509 910.9192       171.0270 51.51886 11.45843 64.49863 6.315900 -12.97976 
13.08382 
1 1 1 -24 4   3  o 27.58418 7.372804  149.6233       115.3225 139.5692       
185.0285 156.0100       147.4698 27.82780 10.90133 27.34055 9.929444 0.4872589 
14.74561 
1 1 1 -24 4   4  o 22.53041 6.668892  26.52836       108.2468 115.4968       
161.2373 -46.47373      146.0546 25.88254 10.16743 19.17829 8.632494 6.704250 
13.33778 
1 1 1 -24 4   5  o 87.90394 4.358449  1715.070       156.7548 1597.062       
245.6644 1796.115       203.5867 84.84200 6.896877 90.96588 5.330795 -6.123886 
8.716897 
1 1 1 -24 4   6  o 36.94540 6.491937  298.2121       100.8268 488.0698       
167.2674 189.8548       126.3649 45.30078 9.115129 28.59002 9.246374 16.71076 
12.98387 
1 1 1 -24 4   7  o 54.94260 5.389989  687.6241       120.4703 657.1042       
192.6341 707.2277       154.3863 53.40299 8.591890 56.48222 6.510557 -3.079227 
10.77998 
1 1 1 -24 4   8  o 37.79744 6.770424  360.7745       110.6939 250.3764       
166.2955 448.6079       148.3301 32.03992 10.61102 43.55495 8.411947 -11.51503 
13.54085 
1 1 1 -24 4   9  o 36.83106 6.198253  352.7368       103.5996 152.5804       
163.4241 487.2166       133.9553 27.09843 10.33053 46.56368 6.852258 -19.46525 
12.39651 
1 1 1 -24 4   10 o 27.76915 7.125530  175.9140       106.6709 165.1224       
166.3015 183.4579       139.0427 27.58816 10.44910 27.95014 9.690663 
-0.3619766     14.25106 
1 1 1 -24 4   11 o 60.91815 4.171353  816.5465       105.8499 899.5602       
162.4968 755.3596       139.5079 63.45852 6.099242 58.37777 5.692099 5.080750 
8.342706 
1 1 1 -24 4   12 o 26.27081 6.966334  149.3918       103.0505 189.0314       
159.8064 121.1756       134.8276 28.20683 10.32734 24.33478 9.352283 3.872055 
13.93267 
1 1 1 -24 4   13 o 25.36706 6.815256  111.3759       104.5342 244.9059       
162.7388 17.57995       136.3934 30.76114 10.49693 19.97298 8.695128 10.78816 
13.63051 
1 1 1 -24 4   14 o 14.08092 4.889647  -215.8578      94.66493 -255.6821      
158.9642 -193.9741      117.8381 15.06056 7.386780 13.10128 6.408593 1.959284 
9.779294 
1 1 1 -24 4   15 o 29.38871 7.121228  227.2450       105.1798 225.5152       
164.3583 228.4447       136.8774 29.24669 10.49628 29.53073 9.626818 
-0.2840443     14.24246 
1 1 1 -24 4   16 o 44.76283 5.755641  494.9940       105.0516 590.7413       
152.9381 409.4645       144.5475 49.73833 7.323954 39.78733 8.880841 9.951000 
11.51128 
1 1 1 -24 4   17 f 24.35917 6.877680  130.4011       105.2164 177.5333       
162.8849 96.65319       137.8305 26.33998 10.24667 22.37835 9.176910 3.961634 
13.75536 
1 1 1 -24 4   18 o 48.30408 6.807759  654.5928       134.5946 456.4811       
191.9146 846.3557       188.8144 38.44518 11.20686 58.16298 7.732315 -19.71779 
13.61552 
1 1 1 -24 4   19 o 33.11458 11.01217  362.5599       179.1066 362.5599       
179.1066 0.000000       0.000000 33.11458 11.01217 ?        ?        ? ? 
1 1 1 -24 4   20 o 19.85563 6.413303  33.35356       112.0201 16.13888       
208.0014 40.38630       132.9472 20.76705 9.697327 18.94422 8.395456 1.822834 
12.82661 
1 1 1 -24 5   1  o 32.75971 7.677799  244.4075       112.7040 269.1285       
224.5471 236.0825       130.3063 33.95666 12.26040 31.56276 9.245373 2.393906 
15.35560 
1 1 1 -24 5   2  o 77.87178 4.669273  1326.214       143.4528 1375.478       
250.9805 1302.311       174.8244 78.29195 7.635614 77.45161 5.376415 0.8403473 
9.338546 
1 1 1 -24 5   3  o 17.05458 5.688265  -161.4228      106.3577 -62.55321      
158.8071 -241.8390      143.2222 19.54607 8.880781 14.56308 7.110357 4.982996 
11.37653 
1 1 1 -24 5   4  o 28.89261 6.709156  182.1956       107.0863 19.88447       
163.5991 303.8716       141.6476 22.28078 9.608459 35.50445 9.366353 -13.22367 
13.41831 
1 1 1 -24 5   5  o 40.99807 6.733548  403.5909       113.0400 435.5055       
171.9096 379.2804       150.0384 42.26392 9.859558 39.73222 9.173428 2.531696 
13.46710 
1 1 1 -24 5   6  o 34.45201 6.730039  260.2891       108.2932 467.9089       
169.8725 118.1438       140.5578 43.95740 9.475160 24.94662 9.560077 19.01078 
13.46008 
1 1 1 -24 5   7  o 90.19558 4.175192  1843.995       150.6234 1586.684       
242.5230 2005.571       192.1815 84.17696 6.862476 96.21420 4.757661 -12.03723 
8.350384 
1 1 1 -24 5   8  o 27.52904 7.137507  154.6605       108.7666 238.0718       
167.6583 94.04496       142.9238 31.26662 10.65441 23.79146 9.500503 7.475157 
14.27501 
1 1 1 -24 5   9  o 20.69716 6.439007  -2.889971      107.8702 23.52667       
162.4585 -23.72000      144.2608 21.97919 9.527793 19.41512 8.663972 2.564064 
12.87801 
1 1 1 -24 5   10 o 23.60729 6.363399  92.65440       98.61536 -63.38168      
159.8668 188.4988       125.2937 19.21336 8.782866 28.00122 9.210464 -8.787855 
12.72680 
1 1 1 -24 5   11 o 23.24598 6.706020  85.49560       103.7740 51.73937       
158.7897 110.6613       137.1041 22.51995 9.581122 23.97200 9.385358 -1.452045 
13.41204 
1 1 1 -24 5   12 o 43.92418 5.419373  469.4975       94.66425 349.2375       
138.8504 573.9440       129.3997 37.35041 8.956864 50.49795 6.103521 -13.14754 
10.83875 
1 1 1 -24 5   13 o 24.82559 6.948999  124.6598       106.4703 138.5651       
161.9847 114.0827       141.2747 25.66302 10.15603 23.98815 9.487325 1.674877 
13.89800 
1 1 1 -24 5   14 o 24.95629 6.946294  118.3781       106.6704 205.6671       
168.2729 59.73650       137.9233 28.49663 10.57324 21.41595 9.011692 7.080681 
13.89259 
1 1 1 -24 5   15 o 23.79390 6.789558  98.38718       104.8746 183.6589       
163.9935 39.38348       136.4155 27.17319 10.35158 20.41461 8.788467 6.758574 
13.57912 
1 1 1 -24 5   16 o 37.78235 6.680261  399.2743       108.7702 284.4934       
168.5681 481.1574       142.3762 31.66514 10.68328 43.89956 8.023159 -12.23442 
13.36052 
1 1 1 -24 5   17 o 23.33823 6.611588  109.1378       105.2919 3.633536       
160.1874 189.3966       139.7139 20.01340 9.022671 26.66305 9.666635 -6.649649 
13.22318 
1 1 1 -24 5   18 o 27.95432 7.120399  220.3112       106.9771 285.4865       
162.6811 170.6561       141.9966 30.68343 10.49507 25.22521 9.625685 5.458220 
14.24080 
1 1 1 -24 5   19 o 45.47015 6.888731  604.6398       125.4834 600.4894       
198.9849 607.3801       161.6859 43.60209 10.89070 47.33821 8.438663 -3.736126 
13.77746 
1 1 1 -24 5   20 o 22.86581 9.231412  141.3823       137.0138 0.000000       
0.000000 141.3823       137.0138 ?        ?        22.86581 9.231412 ? ? 
1 1 1 -24 6   1  o 33.74390 7.546358  258.0692       117.5927 374.6900       
195.0997 191.5298       147.3695 38.54306 11.32008 28.94475 9.982277 9.598309 
15.09272 
1 1 1 -24 6   2  o 45.73443 7.155497  550.8943       131.9962 363.2476       
225.8650 648.2200       162.6643 37.67640 12.36635 53.79246 7.202642 -16.11606 
14.31099 
1 1 1 -24 6   3  o 35.91062 7.136762  320.8203       112.3153 282.2847       
173.4485 348.6468       147.3897 33.86746 10.82087 37.95378 9.308183 -4.086319 
14.27352 
1 1 1 -24 6   4  o 43.38228 5.748119  444.8152       100.5909 289.4137       
140.7240 607.1774       143.8411 34.48188 9.445661 52.28268 6.553091 -17.80079 
11.49624 
1 1 1 -24 6   5  o 44.59478 6.387045  466.9970       114.9029 580.4401       
176.5367 383.6150       151.3500 49.41816 8.826953 39.77139 9.233757 9.646767 
12.77409 
1 1 1 -24 6   6  o 57.04229 4.902912  733.7206       115.7845 710.2521       
177.0101 751.2712       153.0736 55.90001 7.542361 58.18457 6.266335 -2.284561 
9.805823 
1 1 1 -24 6   7  o 23.92646 6.894808  86.46175       108.2785 82.62204       
165.6899 89.32384       143.0503 24.29068 10.02775 23.56225 9.465605 0.7284279 
13.78962 
1 1 1 -24 6   8  o 37.30513 6.774802  313.5434       112.9131 561.8245       
181.4862 156.7451       144.2256 47.94255 9.350214 26.66771 9.806389 21.27485 
13.54960 
1 1 1 -24 6   9  o 41.50672 6.667199  422.7144       113.8634 521.6292       
169.8029 341.8973       153.4851 46.20350 9.077188 36.80993 9.767847 9.393570 
13.33440 
1 1 1 -24 6   10 o 64.02492 4.613456  905.3993       122.3137 1055.736       
193.5058 805.3663       157.8461 68.18560 6.759620 59.86423 6.280401 8.321365 
9.226912 
1 1 1 -24 6   11 o 21.05660 6.135065  26.76699       94.50709 -79.76130      
131.0093 142.3506       136.4639 16.71686 7.763376 25.39634 9.501899 -8.679478 
12.27013 
1 1 1 -24 6   12 o 63.06115 4.809786  919.0432       124.7976 876.9797       
193.2985 949.1082       163.4207 61.21174 7.521681 64.91056 5.996707 -3.698822 
9.619573 
1 1 1 -24 6   13 o 54.99275 4.750753  675.7676       107.0858 916.2603       
166.3934 505.7353       139.9107 63.42806 6.248498 46.55744 7.157854 16.87062 
9.501506 
1 1 1 -24 6   14 o 43.09210 6.491462  477.2385       112.0521 475.7111       
177.0752 478.2585       144.7103 42.16499 10.11708 44.01921 8.136401 -1.854218 
12.98292 
1 1 1 -24 6   15 o 25.80495 7.006626  160.2350       105.9487 149.0485       
165.1098 168.0655       138.1398 25.59011 10.21362 26.01979 9.594430 
-0.4296722     14.01325 
1 1 1 -24 6   16 o 32.81734 6.324298  300.5089       107.9617 70.40950       
165.5582 470.7522       142.4059 22.44292 9.671952 43.19176 8.151094 -20.74884 
12.64860 
1 1 1 -24 6   17 o 22.57705 6.666001  85.43246       105.2107 166.2772       
162.7115 27.34406       137.9231 25.56206 10.15898 19.59203 8.633500 5.970030 
13.33200 
1 1 1 -24 6   18 o 21.01830 6.451180  67.98324       105.8308 49.00402       
159.7436 82.82976       141.2851 20.76577 9.202714 21.27083 9.043283 
-0.5050621     12.90236 
1 1 1 -24 6   19 o 33.28876 7.189529  342.5555       109.3678 419.0528       
167.7405 285.9880       144.2441 36.28885 10.44480 30.28867 9.882479 6.000175 
14.37906 
1 1 1 -24 7   1  o 63.26515 6.215330  957.2426       147.7329 879.2958       
256.5501 995.9122       180.7000 59.58346 10.63899 66.94685 6.429083 -7.363388 
12.43066 
1 1 1 -24 7   2  o 35.58052 7.620787  307.9202       120.1245 370.5210       
199.3872 272.2514       150.5051 37.91863 11.51460 33.24241 9.985973 4.676220 
15.24157 
1 1 1 -24 7   3  o 62.69303 4.115920  861.5413       106.8575 890.2885       
166.2899 841.3210       139.4636 63.35431 6.251883 62.03175 5.355104 1.322556 
8.231840 
1 1 1 -24 7   4  o 51.74539 5.479298  629.9193       110.3760 568.1196       
179.0813 667.7775       140.1643 48.57193 9.117881 54.91885 6.079068 -6.346920 
10.95860 
1 1 1 -24 7   5  f 27.29267 7.024243  151.8396       102.6070 232.6808       
167.9879 103.7317       129.5895 30.94910 10.65926 23.63624 9.150966 7.312862 
14.04849 
1 1 1 -24 7   6  o 21.71481 6.552359  35.47094       105.7540 -0.5608197     
159.8702 63.50488       141.0155 21.09287 9.294937 22.33674 9.237845 -1.243866 
13.10472 
1 1 1 -24 7   7  o 29.61141 7.217410  205.2625       108.6007 265.5563       
166.3498 160.4769       143.3689 32.43476 10.61275 26.78805 9.784349 5.646717 
14.43482 
1 1 1 -24 7   8  o 50.33925 5.915565  610.2930       119.3473 530.5533       
178.5236 674.7281       160.4798 46.23606 9.522610 54.44243 7.021078 -8.206367 
11.83113 
1 1 1 -24 7   9  o 20.77432 5.949064  10.02489       93.13318 -144.3393      
133.3410 157.0617       130.1378 15.41088 7.365897 26.13775 9.343928 -10.72687 
11.89813 
1 1 1 -24 7   10 o 19.06871 6.112031  -36.52578      104.5390 -36.88318      
158.7336 -36.25205      138.9205 19.66943 8.918398 18.46800 8.360016 1.201429 
12.22406 
1 1 1 -24 7   11 o 37.10778 6.941912  339.2323       110.5446 487.8540       
175.4915 241.4686       142.3324 43.53973 9.832230 30.67583 9.802440 12.86390 
13.88382 
1 1 1 -24 7   12 o 39.65302 6.289701  396.7217       102.2335 383.2159       
144.6510 410.2011       144.5092 38.86360 9.029769 40.44243 8.758119 -1.578827 
12.57940 
1 1 1 -24 7   13 o 21.32988 6.481342  46.45178       103.9850 28.65602       
160.3204 59.37497       136.6204 21.35272 9.360207 21.30703 8.967592 
0.4569244E-01  12.96268 
1 1 1 -24 7   14 o 20.95110 6.360785  18.76958       97.89737 134.8561       
166.2289 -42.87451      121.1326 25.13759 10.16003 16.76460 7.655855 8.372990 
12.72157 
1 1 1 -24 7   15 o 40.44748 6.697709  427.9911       110.7662 496.3701       
172.0803 379.6156       144.7379 42.98544 9.756367 37.90952 9.178809 5.075924 
13.39542 
1 1 1 -24 7   16 o 27.22060 6.994922  164.4117       109.2292 337.1574       
172.5046 48.79766       141.1245 33.83665 10.78941 20.60456 8.905304 13.23209 
13.98984 
1 1 1 -24 7   17 o 22.85085 6.342412  100.9742       103.4299 -84.45218      
168.2130 213.6949       131.1522 18.02955 8.491496 27.67216 9.423335 -9.642607 
12.68482 
1 1 1 -24 7   18 o 28.79935 6.334743  247.4570       101.4730 61.47868       
161.1807 369.5666       130.6041 20.98194 9.278175 36.61676 8.627359 -15.63482 
12.66949 
1 1 1 -24 7   19 o 36.47321 7.120112  407.9934       111.9378 477.8246       
171.7326 356.4083       147.6014 38.97116 10.32800 33.97525 9.803897 4.995911 
14.24022 
1 1 1 -24 8   1  o 17.79608 5.954025  -139.9928      114.2687 -127.0288      
182.1866 -148.4000      146.7142 19.18187 8.988883 16.41028 7.810355 2.771587 
11.90805 
1 1 1 -24 8   2  o 33.09768 6.451500  283.5721       106.9034 74.41415       
170.3541 419.4463       137.3043 24.12157 10.07544 42.07380 8.060582 -17.95223 
12.90300 
1 1 1 -24 8   3  o 21.25384 6.472581  14.53930       108.4056 -71.38888      
165.2922 79.39641       143.6029 19.42196 8.900064 23.08572 9.400323 -3.663765 
12.94516 
1 1 1 -24 8   4  o 26.58229 7.210583  142.2859       112.7245 188.6391       
168.7645 104.9474       151.4677 28.69008 10.59992 24.47449 9.778125 4.215591 
14.42117 
1 1 1 -24 8   5  o 27.02990 7.148441  160.1679       108.5031 164.2110       
166.4429 157.1799       143.0854 27.47091 10.43921 26.58888 9.768505 0.8820267 
14.29688 
1 1 1 -24 8   6  f 15.56402 5.186852  -129.1785      90.80457 -224.1457      
134.1562 -48.88554      123.3566 13.99225 6.842909 17.13579 7.796686 -3.143539 
10.37370 
1 1 1 -24 8   7  o 32.83291 6.993464  250.2641       103.6828 386.3446       
172.1343 172.7812       129.8889 38.62819 10.38716 27.03763 9.367017 11.59057 
13.98693 
1 1 1 -24 8   8  o 47.60496 6.118911  546.4182       118.8296 550.1724       
178.3129 543.4191       159.3776 47.01234 9.366320 48.19758 7.876316 -1.185246 
12.23782 
1 1 1 -24 8   9  o 21.77158 6.567784  41.67621       107.8931 -15.42353      
162.1055 87.08723       144.5644 20.43844 9.150681 23.10472 9.423809 -2.666285 
13.13557 
1 1 1 -24 8   10 o 27.23687 7.139344  172.7594       107.6371 204.2749       
164.9660 149.3955       142.0379 28.73835 10.49559 25.73539 9.681093 3.002958 
14.27869 
1 1 1 -24 8   11 o 60.66414 5.059495  859.6006       125.2636 842.7626       
199.7404 870.5157       160.8186 59.41723 8.007086 61.91105 6.187127 -2.493820 
10.11899 
1 1 1 -24 8   12 o 40.63702 6.805341  425.0064       113.4857 483.3035       
174.9805 382.6815       149.0954 42.83656 9.917412 38.43747 9.321782 4.399094 
13.61068 
1 1 1 -24 8   13 o 37.89906 6.032104  371.3198       93.38360 315.6284       
142.5428 413.1941       123.6019 34.48994 9.532454 41.30819 7.394419 -6.818256 
12.06421 
1 1 1 -24 8   14 o 25.40234 6.884839  116.1114       108.3535 278.1640       
170.7061 6.768627       140.2220 31.41521 10.75082 19.38947 8.603719 12.02575 
13.76968 
1 1 1 -24 8   15 o 38.13016 6.933714  412.3472       113.3852 328.0527       
177.0730 470.9303       147.6179 33.41947 10.94947 42.84084 8.509682 -9.421371 
13.86743 
1 1 1 -24 8   16 o 37.37240 6.856139  404.4229       110.0201 325.7521       
175.9830 454.8990       140.9637 32.79462 10.91571 41.95018 8.299020 -9.155556 
13.71228 
1 1 1 -24 8   17 o 18.82975 6.088385  -11.54282      106.5211 18.56420       
163.1123 -33.93091      140.6570 20.05384 9.069310 17.60566 8.125350 2.448185 
12.17677 
1 1 1 -24 8   18 o 18.19676 5.951306  -20.57744      107.8286 -46.57101      
163.4240 -0.5363688     143.4971 18.07066 8.476272 18.32286 8.356134 
-0.2521992     11.90261 
1 1 1 -24 8   19 o 43.27071 6.657870  549.5028       114.0810 543.0131       
195.7473 552.8408       140.3871 40.12292 11.19890 46.41850 7.203725 -6.295582 
13.31574 
1 1 1 -24 9   1  o 46.70786 6.471179  520.2769       118.1326 567.1207       
203.9624 496.6303       144.9135 46.94628 10.59868 46.46945 7.427835 0.4768257 
12.94236 
1 1 1 -24 9   2  o 31.90967 7.333874  259.1459       112.7603 238.9675       
170.8591 274.7162       150.0869 30.91419 10.74002 32.90515 9.989732 -1.990959 
14.66775 
1 1 1 -24 9   3  o 23.41946 6.757594  67.44229       112.0130 -48.54278      
167.7468 160.7753       150.4772 20.01777 9.103679 26.82115 9.989160 -6.803381 
13.51519 
1 1 1 -24 9   4  o 23.68247 6.893400  84.40289       111.1268 45.78574       
168.0437 114.4157       148.1445 22.78773 9.780525 24.57721 9.716851 -1.789482 
13.78680 
1 1 1 -24 9   5  f 79.73402 3.800455  1415.869       125.8095 1301.083       
187.0788 1510.641       169.9894 76.40717 5.831920 83.06089 4.874683 -6.653725 
7.600909 
1 1 1 -24 9   6  o 21.90121 6.577473  45.16132       107.3229 -18.50496      
166.3162 90.58832       140.4872 20.64606 9.255559 23.15637 9.348115 -2.510311 
13.15495 
1 1 1 -24 9   7  o 22.52108 6.613531  58.93131       100.5656 130.5522       
164.0433 15.80790       127.2902 25.60591 10.19291 19.43625 8.429699 6.169666 
13.22706 
1 1 1 -24 9   8  o 55.67016 5.424813  738.0117       123.0017 661.8490       
191.0868 791.8959       160.7274 52.34581 8.695003 58.99450 6.489323 -6.648689 
10.84963 
1 1 1 -24 9   9  o 57.63481 5.094319  765.2936       121.8721 820.2325       
189.1824 726.3199       159.3404 59.04452 7.631718 56.22511 6.750203 2.819412 
10.18864 
1 1 1 -24 9   10 o 27.48065 5.547240  165.0500       89.78808 -75.05511      
136.1736 349.7305       119.4271 17.05324 7.917792 37.90805 7.771490 -20.85481 
11.09448 
1 1 1 -24 9   11 o 28.49958 7.207161  208.3925       108.7808 207.2834       
165.3581 209.2386       144.4347 28.49117 10.49801 28.50799 9.877477 
-0.1681519E-01 14.41432 
1 1 1 -24 9   12 o 20.96812 6.450932  20.66862       106.0196 99.61618       
164.1568 -35.82634      138.8654 23.79139 9.910954 18.14485 8.260210 5.646545 
12.90186 
1 1 1 -24 9   13 o 60.39259 5.300934  817.9719       129.8912 1155.114       
219.0881 635.2363       161.2962 69.32317 7.527684 51.46201 7.465491 17.86116 
10.60187 
1 1 1 -24 9   14 o 37.25286 7.167560  384.0069       114.1793 411.0812       
174.7059 363.8205       150.8548 37.99432 10.57178 36.51140 9.681581 1.482918 
14.33512 
1 1 1 -24 9   15 o 20.86794 6.291423  59.05047       97.51057 24.66225       
135.5025 95.98576       140.4311 19.44402 8.563821 22.29187 9.218948 -2.847847 
12.58285 
1 1 1 -24 9   16 o 29.53419 7.306505  252.6663       111.1437 319.0711       
171.6451 204.7215       145.8486 32.14197 10.78034 26.92642 9.865304 5.215555 
14.61301 
1 1 1 -24 9   17 o 39.35263 7.059754  465.4710       116.4200 445.2085       
180.5919 479.8799       152.2881 37.28472 10.87209 41.42054 9.008779 -4.135818 
14.11951 
1 1 1 -24 9   18 o 24.33212 6.736197  160.7078       109.3101 38.34899       
161.9094 263.1914       148.1773 19.95220 9.028918 28.71205 9.999200 -8.759842 
13.47239 
1 1 1 -24 10  1  o 36.21496 6.806608  348.4672       116.7627 158.6109       
174.0548 503.8195       157.4463 27.02103 10.57561 45.40888 8.571822 -18.38785 
13.61322 
1 1 1 -24 10  2  o 27.29266 7.178612  146.9061       114.3835 281.1873       
176.0679 48.84584       150.4594 32.68080 10.91835 21.90453 9.323066 10.77627 
14.35722 
1 1 1 -24 10  3  o 28.85679 7.121867  176.9907       113.9469 335.5199       
172.8556 55.16124       151.5322 35.53904 10.70702 22.17455 9.393806 13.36449 
14.24373 
1 1 1 -24 10  4  o 26.50529 7.107354  158.3272       108.6900 140.1700       
167.2091 171.6129       143.0296 26.04865 10.31540 26.96192 9.780107 
-0.9132652     14.21471 
1 1 1 -24 10  5  o 28.60190 6.392641  167.7026       113.3883 -113.2056      
173.1118 378.7747       150.0582 18.60114 8.724885 38.60266 9.345576 -20.00151 
12.78528 
1 1 1 -24 10  6  o 34.57524 7.328477  313.6060       113.5252 339.1914       
176.3806 295.5102       148.3348 35.44983 10.84296 33.70065 9.861874 1.749176 
14.65695 
1 1 1 -24 10  7  o 47.35570 6.008382  568.1226       111.7089 445.0886       
173.8170 654.7005       145.8086 41.16448 10.11612 53.54692 6.485892 -12.38245 
12.01676 
1 1 1 -24 10  8  o 50.29932 6.233266  645.9789       122.8454 522.2733       
191.8111 732.0065       159.9550 44.25739 10.47312 56.34126 6.762268 -12.08387 
12.46653 
1 1 1 -24 10  9  o 46.83772 6.336232  549.9389       119.6310 540.3250       
186.8800 556.6140       155.7186 45.26124 10.09453 48.41421 7.661057 -3.152966 
12.67246 
1 1 1 -24 10  10 o 21.68736 6.360501  68.13614       98.10013 -19.13640      
161.6597 119.0064       123.4226 19.95784 9.027210 23.41687 8.962890 -3.459032 
12.72100 
1 1 1 -24 10  11 o 29.45152 6.438552  209.4653       97.23334 359.0517       
142.9685 80.73064       132.6302 37.03827 9.219320 21.86477 8.990213 15.17351 
12.87710 
1 1 1 -24 10  12 o 41.04182 6.742252  438.4930       113.4587 536.4398       
174.6979 367.0423       149.2094 45.06155 9.527944 37.02211 9.542021 8.039440 
13.48450 
1 1 1 -24 10  13 o 25.19452 7.007861  151.1232       108.5292 143.1251       
165.7747 157.1225       143.5749 25.08933 10.14383 25.29971 9.671777 
-0.2103863     14.01572 
1 1 1 -24 10  14 o 26.93017 7.124756  171.9680       110.5386 303.2471       
175.0484 84.90004       142.5574 31.91904 10.88669 21.94131 9.193938 9.977732 
14.24951 
1 1 1 -24 10  15 f 38.19972 6.892850  434.4986       115.1910 310.9016       
178.9575 521.9336       150.5181 31.63730 10.99157 44.76215 8.320512 -13.12484 
13.78570 
1 1 1 -24 10  16 o 24.51267 7.018541  156.0262       111.4194 206.3924       
169.8598 117.9890       147.6135 26.37858 10.41237 22.64676 9.413934 3.731817 
14.03708 
1 1 1 -24 10  17 o 22.44669 6.692541  100.5903       109.0277 213.0773       
168.1057 18.92044       143.2392 26.10277 10.34106 18.79060 8.498402 7.312178 
13.38508 
1 1 1 -24 10  18 o 24.87540 6.641186  183.6871       96.01959 148.8685       
137.4765 216.8501       134.1683 23.19184 9.294896 26.55897 9.488219 -3.367130 
13.28237 
1 1 1 -24 11  1  o 56.52773 5.033277  737.3754       117.9265 778.6321       
183.4888 708.3419       153.9258 57.47717 7.603878 55.57830 6.596705 1.898869 
10.06655 
1 1 1 -24 11  2  o 24.80926 6.947902  113.7600       113.6847 13.54265       
168.5738 197.3617       153.9664 21.44900 9.486146 28.16953 10.15413 -6.720531 
13.89580 
1 1 1 -24 11  3  o 31.57434 6.862166  258.0648       113.9602 83.64438       
171.0270 397.3465       152.8316 23.79966 10.02586 39.34901 9.372264 -15.54934 
13.72433 
1 1 1 -24 11  4  o 24.60445 6.741697  110.8018       109.7178 -30.71139      
168.0674 215.9021       144.8395 20.15187 9.150702 29.05702 9.902856 -8.905151 
13.48339 
1 1 1 -24 11  5  o 15.89298 5.425421  -182.1822      107.5252 -164.1549      
162.5772 -196.1990      143.3570 16.82684 8.064386 14.95912 7.259921 1.867724 
10.85084 
1 1 1 -24 11  6  o 34.94337 6.537815  334.0928       112.8205 110.4471       
172.7555 500.4090       148.9769 24.71094 10.22256 45.17579 8.152999 -20.46485 
13.07563 
1 1 1 -24 11  7  o 31.19761 7.184662  257.3136       106.0368 264.9791       
174.5310 252.8287       133.5006 31.25405 10.85513 31.14118 9.415074 0.1128769 
14.36932 
1 1 1 -24 11  8  f 18.66954 6.084314  -57.31655      110.3211 -67.88337      
167.9482 -49.29663      146.3148 19.06149 8.828272 18.27759 8.374790 0.7838993 
12.16863 
1 1 1 -24 11  9  o 22.59570 6.639797  43.49804       109.7182 190.4366       
166.4026 -69.51535      145.9342 27.51666 10.44340 17.67474 8.202619 9.841921 
13.27959 
1 1 1 -24 11  10 o 32.71840 7.254287  293.5600       109.9446 314.9963       
167.9583 277.4878       145.4332 33.46243 10.64387 31.97437 9.859346 1.488054 
14.50857 
1 1 1 -24 11  11 f 22.35819 6.507837  69.14086       107.3852 -66.50126      
164.2714 170.3584       141.9033 18.66455 8.677633 26.05183 9.700849 -7.387287 
13.01567 
1 1 1 -24 11  12 o 29.07232 6.789161  229.8960       96.29801 222.1064       
137.7745 237.3363       134.6511 28.60957 9.658313 29.53506 9.543995 
-0.9254951     13.57832 
1 1 1 -24 11  13 o 29.61257 6.150531  241.3216       90.94015 110.6116       
138.2060 341.1284       120.7682 22.82066 9.247419 36.40448 8.111803 -13.58382 
12.30106 
1 1 1 -24 11  14 o 22.90518 6.589447  115.0346       99.83707 84.87392       
138.6187 147.5427       143.9119 21.53049 9.045927 24.27987 9.584074 -2.749374 
13.17889 
1 1 1 -24 11  15 o 28.04300 7.160150  239.6608       109.8968 196.1702       
168.7262 271.7054       144.8311 26.02641 10.34457 30.05959 9.902568 -4.033176 
14.32030 
1 1 1 -24 11  16 f 25.26811 7.037941  172.9122       111.4693 283.4728       
171.6279 92.24863       146.5975 29.21054 10.70176 21.32567 9.143457 7.884874 
14.07588 
1 1 1 -24 11  17 o 29.10350 5.916095  196.7263       115.9365 -203.4718      
173.7113 518.1716       155.6840 15.65072 7.690840 42.55629 8.991757 -26.90557 
11.83219 
1 1 1 -24 12  1  o 20.08445 6.311000  5.376715       104.7113 14.66127       
167.6073 -0.5668482     134.1022 21.19780 9.406241 18.97109 8.416503 2.226707 
12.62200 
1 1 1 -24 12  2  o 24.05222 6.966209  103.2111       112.2043 156.2101       
167.6945 60.25058       150.9801 26.17927 10.34196 21.92517 9.335740 4.254097 
13.93242 
1 1 1 -24 12  3  o 21.52388 6.515230  12.12624       108.8479 153.3434       
166.9046 -92.38351      143.5829 26.04271 10.30822 17.00504 7.970785 9.037674 
13.03046 
1 1 1 -24 12  4  o 57.29648 5.629966  823.6393       124.6884 631.4346       
190.1590 968.6064       165.1467 49.40927 9.506265 65.18369 6.034649 -15.77441 
11.25993 
1 1 1 -24 12  5  f 26.05479 6.410678  142.0316       96.08423 283.9051       
140.3480 16.87588       131.8199 32.69931 9.600344 19.41028 8.498270 13.28903 
12.82136 
1 1 1 -24 12  6  o 63.69103 4.134151  904.3464       107.9783 1007.260       
175.6418 841.8216       136.9048 66.12944 6.326363 61.25263 5.323716 4.876812 
8.268302 
1 1 1 -24 12  7  o 28.68772 7.041506  215.5694       112.4467 94.20654       
172.1116 305.9529       148.5292 23.76590 10.03682 33.60954 9.878942 -9.843637 
14.08301 
1 1 1 -24 12  8  o 27.98337 7.306613  204.2767       112.7255 217.0414       
171.7608 194.6189       149.4031 28.55315 10.66468 27.41359 9.990547 1.139563 
14.61323 
1 1 1 -24 12  9  o 27.42841 7.035518  166.8741       111.6861 326.6544       
170.6890 47.24946       147.6911 33.80116 10.72786 21.05566 9.105330 12.74551 
14.07104 
1 1 1 -24 12  10 o 16.45101 5.567719  -171.0488      107.9024 -36.41999      
166.0704 -269.4066      141.9474 19.40291 8.903734 13.49911 6.687412 5.903799 
11.13544 
1 1 1 -24 12  11 o 25.12189 6.967590  153.8736       109.0882 104.0266       
168.7750 189.6407       142.9654 23.52435 9.937139 26.71943 9.769468 -3.195082 
13.93518 
1 1 1 -24 12  12 o 24.27458 6.602220  53.97786       109.0487 324.5643       
173.6823 -122.1045      140.1072 32.79724 10.84413 15.75193 7.534063 17.04531 
13.20444 
1 1 1 -24 12  13 o 28.52397 7.018950  199.7272       110.9986 398.2758       
175.2444 66.70553       143.4406 36.10353 10.76137 20.94441 9.014180 15.15911 
14.03790 
1 1 1 -24 12  14 o 20.87282 6.460654  61.92931       109.7422 7.411203       
169.9633 100.9090       143.7156 19.86332 9.069971 21.88232 9.203033 -2.019003 
12.92131 
1 1 1 -24 12  15 o 36.08307 7.039202  411.9143       114.1647 321.2732       
172.6111 482.3979       152.2125 30.94607 10.79074 41.22008 9.042198 -10.27402 
14.07840 
1 1 1 -24 12  16 o 28.89861 6.190310  229.5818       112.5824 -75.83786      
170.1866 467.2392       150.1248 17.59686 8.389404 40.20036 9.104816 -22.60350 
12.38062 
1 1 1 -24 13  1  o 28.00336 7.305105  197.7431       114.8554 282.8273       
172.9874 130.6648       153.5964 31.54415 10.82131 24.46258 9.816188 7.081575 
14.61021 
1 1 1 -24 13  2  o 21.75009 6.358354  69.63696       97.84817 136.1376       
137.8570 2.120934       138.9054 24.34943 9.436028 19.15075 8.525024 5.198677 
12.71671 
1 1 1 -24 13  3  o 20.47582 6.321590  -3.483482      102.8094 130.1472       
166.7205 -85.47865      130.5960 24.77925 10.11574 16.17239 7.584314 8.606865 
12.64318 
1 1 1 -24 13  4  o 17.33068 5.730780  -76.73678      102.2702 -145.8275      
172.0152 -38.96201      127.1915 17.46072 8.350565 17.20064 7.850823 0.2600803 
11.46156 
1 1 1 -24 13  5  o 32.89657 6.769305  250.6745       105.0379 493.0973       
175.5618 115.5164       131.0884 42.60604 9.979569 23.18711 9.148890 19.41893 
13.53861 
1 1 1 -24 13  6  o 35.34295 7.266308  347.9691       113.2011 365.3516       
175.2399 335.5212       148.2941 35.62797 10.79003 35.05794 9.735105 0.5700302 
14.53262 
1 1 1 -24 13  7  o 20.62806 6.338511  9.265007       110.8834 -141.5265      
167.3351 127.3098       148.0547 17.19827 8.227715 24.05786 9.644253 -6.859583 
12.67702 
1 1 1 -24 13  8  o 21.06658 6.236736  62.04453       95.07167 2.326048       
134.8462 121.0692       134.0605 18.78399 8.379569 23.34917 9.239608 -4.565184 
12.47347 
1 1 1 -24 13  9  o 22.79087 6.309394  111.9365       91.66064 42.59122       
139.2199 164.9956       121.7792 20.27180 8.804325 25.30994 9.039783 -5.038136 
12.61879 
1 1 1 -24 13  10 o 22.59371 6.645597  54.12461       110.3430 220.8363       
169.4035 -68.73067      145.4240 27.93088 10.55573 17.25654 8.076659 10.67433 
13.29119 
1 1 1 -24 13  11 o 24.10943 6.738532  100.2543       102.8521 274.0961       
171.9886 3.472760       128.3273 30.04435 10.74168 18.17452 8.139262 11.86983 
13.47706 
1 1 1 -24 13  12 o 28.19335 6.751628  150.4625       112.8759 467.7011       
182.5269 -45.98472      143.6339 38.94539 10.79583 17.44131 8.110977 21.50408 
13.50326 
1 1 1 -24 13  13 o 29.79681 7.298330  282.3337       112.0514 256.7672       
174.5630 300.2500       146.1303 28.25207 10.70405 31.34155 9.924001 -3.089487 
14.59666 
1 1 1 -24 13  14 o 30.94447 6.933463  309.7448       105.3499 236.1123       
175.5068 351.2194       131.7197 26.94051 10.59992 34.94844 8.940548 -8.007931 
13.86693 
1 1 1 -24 13  15 o 21.52278 9.328506  98.25818       155.6880 0.000000       
0.000000 98.25818       155.6880 ?        ?        21.52278 9.328506 ? ? 
1 1 1 -24 14  1  o 24.18125 6.662961  138.5205       98.52724 101.5691       
139.4534 175.3504       139.2240 22.48667 9.227639 25.87584 9.614098 -3.389168 
13.32592 
1 1 1 -24 14  2  o 20.78463 6.437574  25.93148       112.9002 -85.40462      
172.0325 110.1598       149.6310 18.40807 8.645720 23.16120 9.540492 -4.753128 
12.87515 
1 1 1 -24 14  3  o 29.32383 7.278522  217.0135       116.2230 382.8227       
181.4189 101.5943       151.3621 35.76057 11.00873 22.88709 9.524458 12.87348 
14.55704 
1 1 1 -24 14  4  o 33.89701 6.823333  332.1996       114.7864 155.4913       
171.4735 475.6799       154.5129 25.39197 10.29588 42.40206 8.956914 -17.01009 
13.64667 
1 1 1 -24 14  5  o 31.23195 7.469409  276.9372       115.3643 348.3047       
180.5154 227.6646       149.9917 33.95994 11.05539 28.50397 10.04722 5.455971 
14.93882 
1 1 1 -24 14  6  o 18.27918 5.989228  -59.31026      111.9298 -153.9212      
172.3117 9.751617       147.2188 17.06220 8.207373 19.49616 8.724816 -2.433958 
11.97846 
1 1 1 -24 14  7  o 33.98713 7.273897  346.1566       118.3187 246.1329       
178.2971 424.8649       158.1622 28.94385 10.85478 39.03041 9.685666 -10.08656 
14.54779 
1 1 1 -24 14  8  o 29.11401 7.082672  231.4614       119.1950 64.31504       
171.6270 387.1976       165.6653 21.97379 9.658190 36.25422 10.36226 -14.28043 
14.16534 
1 1 1 -24 14  9  o 44.49185 6.520369  546.1334       118.9341 480.2983       
177.7564 599.4946       160.0327 40.31493 10.42683 48.66877 7.832122 -8.353836 
13.04074 
1 1 1 -24 14  10 o 21.49946 6.285764  82.44625       96.77344 165.6583       
137.5437 0.8724674      136.1830 24.70419 9.459963 18.29474 8.279637 6.409451 
12.57153 
1 1 1 -24 14  11 o 17.95643 5.930807  -40.62643      108.7338 -38.31841      
168.5080 -42.27306      142.3308 18.62068 8.707958 17.29219 8.054151 1.328491 
11.86161 
1 1 1 -24 14  12 o 24.87310 6.712086  163.2995       112.9254 -15.06838      
174.1848 292.6236       148.3172 19.20804 8.932369 30.53816 10.02104 -11.33011 
13.42417 
1 1 1 -24 14  13 o 19.13787 6.155458  14.75527       110.6002 -55.34051      
171.6980 64.46825       144.5953 18.10187 8.541179 20.17386 8.866055 -2.071985 
12.31092 
1 1 1 -24 14  14 f 29.08134 11.12108  303.1678       189.8788 0.000000       
0.000000 303.1678       189.8788 ?        ?        29.08134 11.12108 ? ? 
1 1 1 -24 15  1  o 38.09072 7.171039  441.8247       118.4380 375.2101       
180.7672 491.9308       156.7764 34.08639 11.06255 42.09505 9.127710 -8.008663 
14.34208 
1 1 1 -24 15  2  o 19.62287 6.271543  2.908285       113.8260 -83.05970      
170.9242 71.41489       152.5813 17.99415 8.500566 21.25159 9.223307 -3.257441 
12.54309 
1 1 1 -24 15  3  o 20.29503 6.012801  9.068167       105.7630 -264.9961      
170.2947 181.1546       134.9423 15.00698 7.407766 25.58308 9.473126 -10.57610 
12.02560 
1 1 1 -24 15  4  o 24.23346 6.684483  130.2944       112.1536 -38.34975      
169.8350 260.7101       149.3505 18.92971 8.809567 29.53721 10.05588 -10.60750 
13.36897 
1 1 1 -24 15  5  f 30.34542 7.505880  286.6378       117.5006 289.4849       
180.4014 284.5401       154.8515 30.10781 10.97760 30.58304 10.23940 
-0.4752312     15.01176 
1 1 1 -24 15  6  o 24.46058 6.654568  68.34959       114.5383 352.3928       
176.0497 -140.1246      150.8235 33.14269 10.91778 15.77846 7.611510 17.36423 
13.30914 
1 1 1 -24 15  7  o 23.34269 6.489491  121.1382       107.0401 -50.45819      
168.7295 236.7077       138.4710 18.44065 8.643148 28.24473 9.682457 -9.804079 
12.97898 
1 1 1 -24 15  8  f 57.08578 5.992405  880.8099       134.1339 801.7191       
211.0108 934.4398       173.7579 52.55473 9.925696 61.61684 6.716861 -9.062111 
11.98481 
1 1 1 -24 15  9  o 30.51417 7.287615  301.6664       117.2491 204.9313       
173.8420 382.3924       158.8068 25.93425 10.42800 35.09409 10.18303 -9.159832 
14.57523 
1 1 1 -24 15  10 o 52.18198 5.831278  741.2402       118.9238 661.6191       
186.9612 795.3481       154.1230 47.48046 9.714229 56.88351 6.453601 -9.403042 
11.66256 
1 1 1 -24 15  11 o 23.37239 6.683877  130.5950       114.5792 -31.07331      
174.6173 252.8357       151.8388 18.70937 8.773323 28.03540 10.08591 -9.326038 
13.36775 
1 1 1 -24 15  12 o 33.75004 11.44293  411.5331       193.3931 0.000000       
0.000000 411.5331       193.3931 ?        ?        33.75004 11.44293 ? ? 
1 1 1 -24 16  1  o 17.90005 5.807822  -28.38499      105.7035 -183.2019      
170.7498 67.81009       134.5946 15.82501 7.734728 19.97509 8.665863 -4.150088 
11.61564 
1 1 1 -24 16  2  o 30.95487 6.947003  313.7676       115.8930 148.9696       
178.3065 434.3117       152.4980 23.67715 10.11553 38.23259 9.524672 -14.55544 
13.89401 
1 1 1 -24 16  3  o 43.81128 6.608278  551.0982       115.5651 578.4422       
185.2592 533.6799       147.8605 43.29182 10.32347 44.33075 8.252475 -1.038929 
13.21656 
1 1 1 -24 16  4  o 20.09637 6.281115  55.49680       105.5743 -6.515333      
171.4822 93.34868       133.9753 19.22488 8.910354 20.96787 8.855236 -1.742998 
12.56223 
1 1 1 -24 16  5  o 29.64731 6.559271  271.3639       96.10040 186.4482       
146.0663 336.1750       127.6089 25.03263 9.710417 34.26199 8.820656 -9.229364 
13.11854 
1 1 1 -24 16  6  o 24.28523 7.083652  167.6460       115.8714 185.3667       
179.5248 154.9927       151.7006 24.91453 10.37075 23.65594 9.651943 1.258583 
14.16730 
1 1 1 -24 16  7  o 25.99514 7.216093  213.5309       115.4276 201.7438       
172.3550 223.1169       155.4321 25.45746 10.32237 26.53282 10.08646 -1.075354 
14.43219 
1 1 1 -24 16  8  o 30.98750 7.485234  316.7109       119.0413 413.1136       
177.0516 237.1774       160.8166 34.95496 10.89870 27.02004 10.26319 7.934919 
14.97047 
1 1 1 -24 16  9  o 23.77936 6.863330  161.2928       108.1368 143.4483       
173.2422 172.6832       138.4118 23.28828 9.960808 24.27044 9.444762 
-0.9821625     13.72666 
1 1 1 -23 -29 1  o 21.53422 6.566368  96.86762       106.9287 111.9428       
164.8028 85.90717       140.5229 22.25499 9.621089 20.81345 8.938869 1.441544 
13.13274 
1 1 1 -23 -28 1  o 24.21738 6.826859  130.7632       116.4997 -22.70685      
175.3784 251.9665       155.8553 19.52769 9.035475 28.90707 10.23641 -9.379383 
13.65372 
1 1 1 -23 -28 2  o 20.14768 6.190912  62.36208       96.57551 86.04083       
147.1003 44.42397       128.0331 21.19990 9.126340 19.09546 8.367764 2.104435 
12.38182 
1 1 1 -23 -28 3  o 23.67990 6.447579  152.8952       91.90692 102.5310       
125.3594 211.4278       135.1434 21.05354 8.708720 26.30625 9.510169 -5.252705 
12.89516 
1 1 1 -23 -27 1  o 20.74804 6.893691  -63.33861      143.0451 -83.46675      
174.2767 -21.78051      250.4179 18.60126 8.730205 22.89483 10.67124 -4.293570 
13.78738 
1 1 1 -23 -27 2  o 23.34008 6.722842  115.7793       102.7262 174.6593       
159.7436 74.26065       134.1410 25.68193 10.11017 20.99822 8.864024 4.683704 
13.44568 
1 1 1 -23 -27 3  o 22.18513 6.357713  114.1688       91.70903 129.0148       
139.3111 102.8145       121.8316 22.94503 9.289867 21.42524 8.682189 1.519787 
12.71543 
1 1 1 -23 -27 4  o 26.99460 6.406560  208.1309       91.70271 309.1847       
132.2349 114.5063       127.2813 32.27616 9.268475 21.71305 8.847116 10.56311 
12.81312 
1 1 1 -23 -26 1  f 27.57006 6.866140  178.9991       100.3931 294.1388       
158.4289 101.7424       129.7746 32.54521 10.33604 22.59490 9.041121 9.950304 
13.73228 
1 1 1 -23 -26 2  o 22.58654 6.570838  87.91809       106.6103 -36.48007      
178.1115 157.3689       133.0834 19.98909 9.192894 25.18398 9.391185 -5.194891 
13.14168 
1 1 1 -23 -26 3  o 24.73471 6.541980  155.6700       92.47000 123.7707       
143.9436 178.0843       120.6604 23.50350 9.473080 25.96593 9.025009 -2.462427 
13.08396 
1 1 1 -23 -26 4  o 29.87971 6.855154  255.2334       97.38434 227.0094       
128.0544 293.9462       149.9726 28.30951 9.311384 31.44991 10.06333 -3.140400 
13.71031 
1 1 1 -23 -26 5  o 13.57176 4.713784  -194.7813      93.47946 -216.9514      
134.2185 -173.8965      130.2697 13.35934 6.590132 13.78419 6.741601 
-0.4248543     9.427567 
1 1 1 -23 -26 6  o 19.47652 6.179408  28.18198       102.3208 -21.01646      
130.6303 106.2875       164.5921 16.97716 7.833423 21.97589 9.559174 -4.998728 
12.35882 
1 1 1 -23 -25 1  o 24.36614 6.769514  108.8050       109.2096 205.8607       
148.8678 -4.294615      160.7018 28.35023 10.00784 20.38205 9.118575 7.968176 
13.53903 
1 1 1 -23 -25 2  o 26.02455 7.316365  150.2966       121.3218 203.7079       
172.1302 97.56891       171.0250 28.14056 10.63876 23.90854 10.04657 4.232019 
14.63273 
1 1 1 -23 -25 3  f 22.35684 6.517144  58.55263       106.0994 -56.19287      
147.2626 182.4070       152.9961 17.96271 8.299211 26.75097 10.05066 -8.788263 
13.03429 
1 1 1 -23 -25 4  o 32.23384 6.677207  298.2471       103.0990 376.1665       
133.2333 181.9496       162.7702 38.00700 8.556109 26.46069 10.25346 11.54631 
13.35441 
1 1 1 -23 -25 5  f 31.91680 6.816544  291.5322       100.7864 238.1386       
143.8814 342.9708       141.2227 28.81255 9.870047 35.02105 9.404428 -6.208502 
13.63309 
1 1 1 -23 -25 6  o 25.02088 6.652456  176.0812       94.81769 177.8869       
138.2605 174.4779       130.2800 25.09067 9.520379 24.95109 9.294249 0.1395874 
13.30491 
1 1 1 -23 -25 7  o 23.18975 6.543859  140.9076       100.7975 61.51427       
148.3808 208.9407       137.3553 20.20264 8.921888 26.17687 9.575400 -5.974230 
13.08772 
1 1 1 -23 -24 1  o 49.38841 5.854417  588.5729       118.0687 658.4144       
168.4593 521.1409       165.5280 53.00671 7.569812 45.77012 8.932790 7.236591 
11.70883 
1 1 1 -23 -24 2  f 27.09262 7.382976  145.6305       126.6291 284.6773       
184.3230 21.34950       174.2615 32.29667 11.16141 21.88856 9.667273 10.40812 
14.76595 
1 1 1 -23 -24 3  o 19.19921 6.117422  -21.82174      105.0245 -67.73223      
153.0878 18.99809       144.3512 18.20525 8.430540 20.19317 8.866646 -1.987921 
12.23484 
1 1 1 -23 -24 4  o 21.62348 6.371342  73.77026       95.90983 78.26517       
138.5163 69.63059       132.9301 21.91398 9.114903 21.33298 8.904748 0.5809975 
12.74268 
1 1 1 -23 -24 5  o 32.81292 6.251903  286.0637       94.88115 414.4207       
134.6085 159.3197       133.7600 40.36937 8.227422 25.25646 9.415661 15.11292 
12.50381 
1 1 1 -23 -24 6  o 24.14426 6.504600  145.4421       91.56005 144.2200       
131.2650 146.6001       127.7765 24.10061 9.237840 24.18791 9.159782 
-0.8730125E-01 13.00920 
1 1 1 -23 -24 7  o 34.97624 5.875083  361.4048       103.5206 556.6201       
137.1489 102.9163       157.8178 47.58152 6.865545 22.37095 9.535760 25.21057 
11.75017 
1 1 1 -23 -24 8  o 17.77246 5.894959  -60.22655      113.0206 -146.6260      
158.3660 29.45519       161.3461 15.80415 7.657652 19.74078 8.964517 -3.936628 
11.78992 
1 1 1 -23 -23 1  o 45.35925 5.484604  472.0035       100.4951 620.5861       
154.8596 363.9104       132.0849 52.05425 7.086029 38.66424 8.373275 13.39001 
10.96921 
1 1 1 -23 -23 2  o 27.96396 7.258082  188.3306       111.6505 158.1939       
177.3993 208.0983       143.6754 27.03690 10.65086 28.89103 9.862978 -1.854137 
14.51616 
1 1 1 -23 -23 3  o 26.24871 7.058290  157.3110       107.9182 133.8030       
155.5010 179.1538       149.8923 25.25611 9.964696 27.24131 9.999135 -1.985193 
14.11658 
1 1 1 -23 -23 4  o 16.97243 5.578568  -84.09492      96.78190 -141.8746      
135.5187 -23.95133      138.2631 15.40789 7.379139 18.53697 8.368391 -3.129073 
11.15714 
1 1 1 -23 -23 5  o 45.95544 5.959410  524.4999       110.1155 481.1805       
146.2919 581.1268       167.2594 43.91206 8.239068 47.99881 8.612551 -4.086758 
11.91882 
1 1 1 -23 -23 6  o 25.96030 6.388544  142.1762       100.3162 -19.73404      
142.3169 302.0620       141.4243 18.61108 8.441265 33.30951 9.591612 -14.69843 
12.77709 
1 1 1 -23 -23 7  o 23.82362 6.551567  127.0877       99.99425 202.5953       
135.2990 36.20152       148.4391 27.25258 9.548690 20.39466 8.972996 6.857925 
13.10313 
1 1 1 -23 -23 8  o 17.47667 5.744819  -51.37246      103.2552 -13.88722      
143.9416 -91.10915      148.2013 18.30320 8.353112 16.65013 7.889061 1.653067 
11.48964 
1 1 1 -23 -23 9  o 26.27187 6.810995  198.5809       111.4297 46.16449       
165.1287 326.0134       150.9895 20.36621 9.172394 32.17754 10.07104 -11.81133 
13.62199 
1 1 1 -23 -22 1  o 56.81852 5.994324  687.1450       129.7438 936.5208       
254.4334 599.5123       150.8273 62.18669 9.745356 51.45034 6.982529 10.73634 
11.98865 
1 1 1 -23 -22 2  o 38.29913 7.100899  373.6888       114.8575 382.6804       
175.1506 366.9048       152.1360 38.38435 10.54818 38.21392 9.509313 0.1704369 
14.20180 
1 1 1 -23 -22 3  f 23.87839 7.017264  84.08992       116.6923 109.9393       
162.5297 56.58783       167.6449 24.75200 10.02896 23.00478 9.817735 1.747221 
14.03453 
1 1 1 -23 -22 4  o 22.09953 6.581123  59.95204       105.0361 13.11545       
161.0918 94.59003       138.5342 21.13523 9.319804 23.06382 9.294406 -1.928595 
13.16225 
1 1 1 -23 -22 5  o 25.19880 6.872953  137.0807       101.6698 109.8854       
132.7388 175.6796       158.1390 23.36757 9.210670 27.03003 10.20360 -3.662458 
13.74591 
1 1 1 -23 -22 6  o 18.79009 5.780279  -64.12144      93.96494 -214.6066      
125.2562 129.5742       142.1060 13.24511 6.515782 24.33508 9.549403 -11.08997 
11.56056 
1 1 1 -23 -22 7  o 20.37385 6.225676  35.72330       98.63332 -7.101590      
138.5455 79.73437       140.4512 18.80376 8.438170 21.94394 9.156059 -3.140184 
12.45135 
1 1 1 -23 -22 8  o 21.40236 6.295417  71.11546       95.40359 135.2865       
138.4943 13.16477       131.6108 23.94116 9.417281 18.86357 8.357266 5.077593 
12.59083 
1 1 1 -23 -22 9  o 28.00972 6.933401  231.8373       108.2503 126.0905       
170.7267 302.9328       139.9873 23.65958 9.994355 32.35986 9.612546 -8.700277 
13.86680 
1 1 1 -23 -22 10 o 20.78310 6.203044  79.91356       92.51493 142.1779       
142.5846 34.64088       121.5825 23.16722 9.390743 18.39898 8.107095 4.768236 
12.40609 
1 1 1 -23 -21 1  o 28.02221 7.332239  153.5784       112.2160 251.2851       
185.9693 97.63274       140.7220 32.13297 11.20089 23.91146 9.465034 8.221500 
14.66448 
1 1 1 -23 -21 2  o 42.43108 6.518162  468.5951       113.9176 296.3690       
181.2803 580.9903       146.4452 34.09341 11.07879 50.76875 6.870678 -16.67533 
13.03632 
1 1 1 -23 -21 3  o 26.04657 7.248530  111.2796       114.5745 221.7385       
189.1251 47.23520       144.0090 30.35887 11.22020 21.73428 9.179972 8.624596 
14.49706 
1 1 1 -23 -21 4  o 49.38132 5.211027  552.0172       106.7771 639.6422       
167.3405 491.8391       138.6774 52.48163 7.594771 46.28101 7.137133 6.200615 
10.42205 
1 1 1 -23 -21 5  o 42.65400 6.125065  460.6981       107.0698 589.8245       
147.1225 315.3013       156.1166 50.62646 6.921856 34.68153 10.10711 15.94494 
12.25013 
1 1 1 -23 -21 6  o 28.55227 6.470571  193.6290       99.90894 329.4451       
139.1106 48.94447       143.5806 35.78025 9.208454 21.32427 9.092719 14.45598 
12.94114 
1 1 1 -23 -21 7  o 21.56208 6.144731  69.52709       90.36876 -11.22981      
130.0914 144.8364       125.6270 18.35353 8.207844 24.77062 9.146703 -6.417097 
12.28946 
1 1 1 -23 -21 8  o 15.86073 5.285240  -90.91847      89.29211 -79.62527      
140.4498 -98.57958      115.6801 16.94788 7.933108 14.77358 6.985758 2.174297 
10.57048 
1 1 1 -23 -21 9  o 24.60747 6.701360  110.2366       101.7572 270.5788       
164.2320 10.32671       129.6398 30.53637 10.53727 18.67856 8.282445 11.85781 
13.40272 
1 1 1 -23 -21 10 o 18.21675 5.928067  -17.69850      99.42840 -46.52855      
175.4635 -4.062403      120.6727 19.03533 8.895642 17.39817 7.838077 1.637167 
11.85613 
1 1 1 -23 -21 11 o 23.71198 6.018209  129.6362       93.79760 -54.26784      
140.9705 275.7337       125.6476 16.77570 7.869506 30.64827 9.107483 -13.87257 
12.03642 
1 1 1 -23 -20 1  o 39.53310 8.279891  396.1417       146.9333 363.4911       
199.6449 434.7271       217.0324 37.90975 11.52406 41.15646 11.89212 -3.246712 
16.55978 
1 1 1 -23 -20 2  o 49.69603 6.378090  570.2788       129.0841 685.1754       
201.5540 490.3797       168.0772 54.24858 8.849610 45.14348 9.187195 9.105103 
12.75618 
1 1 1 -23 -20 3  o 23.82536 6.981873  57.04629       114.2578 148.8435       
178.9368 -6.148509      148.4655 27.35523 10.71953 20.29548 8.948623 7.059753 
13.96375 
1 1 1 -23 -20 4  o 24.63626 6.989988  59.52363       113.8712 223.1123       
183.2890 -43.30629      145.3180 30.42249 11.06777 18.85003 8.540739 11.57247 
13.97998 
1 1 1 -23 -20 5  o 29.72515 7.277346  210.5605       111.6255 286.3555       
168.1838 150.8831       149.2343 33.21207 10.65981 26.23822 9.909965 6.973850 
14.55469 
1 1 1 -23 -20 6  o 20.85946 6.070564  38.07930       93.12490 -77.27102      
139.9636 129.7066       124.7436 17.36247 8.048231 24.35643 9.090267 -6.993959 
12.14113 
1 1 1 -23 -20 7  o 18.88607 5.920335  -1.123405      89.29100 10.22997       
151.2001 -7.203169      110.6453 20.41978 9.013503 17.35237 7.678426 3.067410 
11.84067 
1 1 1 -23 -20 8  o 21.86599 6.279824  84.05152       90.28190 86.30108       
131.2119 82.02901       124.4148 22.09849 8.989872 21.63349 8.770802 0.4649944 
12.55965 
1 1 1 -23 -20 9  o 26.46619 6.729744  178.6132       96.05137 151.2170       
137.1150 205.0114       134.5944 25.05356 9.488308 27.87882 9.546196 -2.825254 
13.45949 
1 1 1 -23 -20 10 o 39.75438 7.134058  447.8914       115.8125 434.2207       
200.5232 454.7339       141.8656 37.45941 11.58242 42.04935 8.332264 -4.589943 
14.26812 
1 1 1 -23 -20 11 o 19.79672 6.132990  40.27951       94.76280 73.44566       
153.3211 19.77812       120.5442 21.40283 9.266645 18.19060 8.036390 3.212227 
12.26598 
1 1 1 -23 -20 12 o 20.02199 6.228202  50.41246       103.8375 -12.58834      
149.8203 108.6511       144.0466 18.22172 8.400598 21.82226 9.197389 -3.600540 
12.45640 
1 1 1 -23 -19 1  o 36.24244 8.711411  323.9902       159.0499 359.6351       
205.8190 271.1495       250.5940 37.99936 11.73134 34.48552 12.88140 3.513836 
17.42282 
1 1 1 -23 -19 2  o 37.75607 7.366295  313.4587       128.0923 566.2712       
204.9926 151.5158       164.0665 48.06227 10.45097 27.44986 10.38395 20.61241 
14.73259 
1 1 1 -23 -19 3  o 54.44152 5.647099  663.5816       125.8042 733.3265       
205.5418 621.8026       159.0827 56.28123 8.698766 52.60180 7.203497 3.679432 
11.29420 
1 1 1 -23 -19 4  o 63.69939 5.355668  915.1826       138.9849 964.6740       
227.3566 885.6524       175.6206 64.48473 8.397919 62.91405 6.648885 1.570679 
10.71134 
1 1 1 -23 -19 5  o 43.13680 7.166998  472.5071       122.9785 456.6798       
211.1475 480.6324       151.2871 41.42205 11.65375 44.85155 8.345870 -3.429501 
14.33400 
1 1 1 -23 -19 6  o 31.93533 6.933201  218.3388       111.2433 436.9788       
176.7746 74.98515       143.1395 41.18004 10.25230 22.69063 9.336349 18.48941 
13.86640 
1 1 1 -23 -19 7  o 22.99002 6.467552  91.39977       91.14786 130.8837       
149.0067 67.79211       115.2184 25.09972 9.792977 20.88033 8.450710 4.219389 
12.93510 
1 1 1 -23 -19 8  o 31.45229 6.341779  267.3364       93.20759 153.1260       
155.1300 331.8599       116.6009 26.00834 10.02402 36.89624 7.771213 -10.88791 
12.68356 
1 1 1 -23 -19 9  f 23.82562 6.367184  73.60191       96.62222 254.9091       
151.0793 -51.88132      125.6870 30.80202 10.11392 16.84923 7.737750 13.95279 
12.73437 
1 1 1 -23 -19 10 o 47.54705 6.908348  575.3046       128.2458 715.9338       
219.8346 502.7541       157.8987 50.89497 10.63407 44.19913 8.821436 6.695847 
13.81670 
1 1 1 -23 -19 11 o 46.94177 7.050206  624.8782       135.2796 507.2646       
209.4022 709.1248       177.2266 40.51619 11.67280 53.36735 7.909960 -12.85115 
14.10041 
1 1 1 -23 -19 12 o 19.21189 6.057611  14.79770       99.21945 -31.86334      
132.7489 73.85767       149.3483 17.20505 7.922541 21.21873 9.165803 -4.013687 
12.11522 
1 1 1 -23 -19 13 o 20.93279 6.563181  70.28029       114.8743 86.35897       
158.8236 52.64135       166.3513 21.33746 9.335220 20.52811 9.227949 0.8093548 
13.12636 
1 1 1 -23 -18 1  o 25.60285 7.871946  -7.499196      154.2115 -81.42593      
194.5173 117.5786       253.0157 21.48926 9.780988 29.71644 12.33703 -8.227175 
15.74389 
1 1 1 -23 -18 2  o 48.81955 6.755613  549.4246       131.6455 666.7715       
208.9987 472.2447       169.4963 53.00830 9.756648 44.63081 9.346713 8.377491 
13.51123 
1 1 1 -23 -18 3  o 24.85651 7.045839  91.97555       114.6161 9.107310       
181.9375 146.5040       147.5842 22.97886 10.02288 26.73415 9.905416 -3.755289 
14.09168 
1 1 1 -23 -18 4  o 46.23549 6.878591  529.8804       128.6359 436.7131       
203.7012 591.6778       165.9001 41.38361 11.37679 51.08736 7.734893 -9.703747 
13.75718 
1 1 1 -23 -18 5  o 24.95121 6.904429  104.7294       111.8283 -13.42556      
178.1842 181.5115       143.6392 21.82432 9.689577 28.07810 9.838530 -6.253775 
13.80886 
1 1 1 -23 -18 6  o 43.66187 6.644604  484.0222       117.8588 380.8863       
188.1558 550.6191       151.1958 38.20914 11.08323 49.11459 7.332471 -10.90545 
13.28921 
1 1 1 -23 -18 7  o 22.36066 6.823334  -9.333922      114.7183 155.6524       
194.2451 -97.70150      142.1584 27.61588 11.05663 17.10544 7.998907 10.51044 
13.64667 
1 1 1 -23 -18 8  o 52.87454 5.871337  621.3835       122.7435 881.6454       
212.8058 491.6330       150.2562 60.76264 8.341956 44.98645 8.264513 15.77619 
11.74267 
1 1 1 -23 -18 9  o 29.71373 7.138654  230.3725       108.8616 274.9638       
145.5623 173.7787       163.9864 32.33355 9.842352 27.09390 10.34261 5.239649 
14.27731 
1 1 1 -23 -18 10 o 48.01130 5.858546  568.7682       115.3547 587.4368       
160.6137 548.8788       165.7814 49.46185 7.734520 46.56075 8.801559 2.901108 
11.71709 
1 1 1 -23 -18 11 o 28.64830 7.148135  216.7122       121.7989 41.01639       
191.9539 335.1259       157.5859 22.61779 10.04753 34.67881 10.17007 -12.06103 
14.29627 
1 1 1 -23 -18 12 o 39.61533 6.680083  433.8008       109.5009 465.6226       
146.8462 393.9445       164.3420 42.20968 8.584809 37.02097 10.23695 5.188713 
13.36017 
1 1 1 -23 -18 13 o 18.76914 6.092039  -19.47141      111.1674 32.49950       
155.8682 -73.27756      158.5963 20.03459 8.971312 17.50369 8.244228 2.530899 
12.18408 
1 1 1 -23 -18 14 o 29.63068 7.568102  296.5189       123.0716 230.9057       
172.5734 364.4260       175.5642 26.62118 10.49931 32.64018 10.90272 -6.018999 
15.13620 
1 1 1 -23 -17 1  o 85.19350 6.167456  1627.463       219.4331 1615.827       
295.4688 1641.775       327.6747 85.13406 8.266644 85.25293 9.154923 
-0.1188736     12.33491 
1 1 1 -23 -17 2  o 27.79198 7.310297  151.8117       115.3110 108.7807       
169.5433 188.8492       157.2935 26.17233 10.37996 29.41163 10.29652 -3.239296 
14.62059 
1 1 1 -23 -17 3  o 24.03979 7.108432  54.96688       120.7676 2.856596       
185.7525 93.12205       158.9460 23.15048 10.11230 24.92911 9.993032 -1.778631 
14.21686 
1 1 1 -23 -17 4  o 28.09990 6.982758  167.1581       114.5898 -17.52839      
192.9036 267.8636       142.4457 22.82128 10.11336 33.37852 9.630972 -10.55724 
13.96552 
1 1 1 -23 -17 5  o 30.24734 7.454300  213.1703       114.6745 196.0420       
187.2239 223.4541       145.0710 29.88618 11.13998 30.60850 9.907942 
-0.7223186     14.90860 
1 1 1 -23 -17 6  o 21.53027 6.337544  22.99147       105.4971 -183.4921      
181.3257 128.6536       129.7109 18.09501 8.634660 24.96552 9.279036 -6.870504 
12.67509 
1 1 1 -23 -17 7  o 24.63459 6.725896  109.7960       106.8932 -42.81337      
183.1070 188.6910       131.6555 21.13814 9.581788 28.13105 9.441401 -6.992910 
13.45179 
1 1 1 -23 -17 8  o 32.77470 6.999291  232.1808       105.3350 435.9174       
181.5890 128.8607       129.3145 40.92635 10.51380 24.62305 9.242308 16.30329 
13.99858 
1 1 1 -23 -17 9  o 29.10755 7.183818  192.1215       105.3802 301.8084       
177.3593 132.2692       131.0137 33.56906 10.95832 24.64603 9.292159 8.923031 
14.36764 
1 1 1 -23 -17 10 o 27.95496 6.376894  138.5739       105.1842 -58.83033      
141.6981 380.8489       156.9785 17.82274 8.197824 38.08718 9.770095 -20.26444 
12.75379 
1 1 1 -23 -17 11 o 71.59561 5.197843  1247.161       150.2205 1045.492       
231.6436 1393.527       197.3428 65.09467 8.476099 78.09657 6.018806 -13.00190 
10.39569 
1 1 1 -23 -17 12 o 26.48759 7.200004  176.2500       114.6989 127.1197       
167.4849 219.6427       157.4017 24.54351 10.09902 28.43166 10.26499 -3.888153 
14.40001 
1 1 1 -23 -17 13 o 35.70288 6.935735  372.1825       114.8264 231.7993       
167.3509 497.0687       157.8439 28.33864 10.53832 43.06713 9.020061 -14.72849 
13.87147 
1 1 1 -23 -17 14 f 18.29712 6.048091  -48.79861      116.5445 -100.9714      
167.5380 0.1193168      162.2278 17.29970 8.265795 19.29454 8.831435 -1.994839 
12.09618 
1 1 1 -23 -17 15 o 24.36105 6.673480  152.3900       115.4001 -50.00912      
179.0727 296.1450       150.9165 18.46506 8.715519 30.25704 10.10846 -11.79198 
13.34696 
1 1 1 -23 -16 1  o 85.06950 6.547394  1619.005       228.4486 1595.464       
293.0129 1655.496       364.8110 84.87134 8.223310 85.26768 10.19071 
-0.3963394     13.09479 
1 1 1 -23 -16 2  o 81.42989 4.951873  1430.250       163.7715 1542.967       
271.9689 1366.126       205.1330 83.52032 7.756185 79.33945 6.158392 4.180878 
9.903747 
1 1 1 -23 -16 3  o 41.73306 7.254850  435.2832       125.8344 330.0829       
206.1566 497.7508       158.8604 36.96774 11.79566 46.49837 8.449484 -9.530636 
14.50970 
1 1 1 -23 -16 4  o 62.83300 5.381835  860.0011       138.2926 974.3662       
227.4831 792.9575       174.1732 65.74608 8.241389 59.91992 6.923588 5.826160 
10.76367 
1 1 1 -23 -16 5  o 41.22786 7.088238  411.2048       118.7873 421.1293       
194.5770 405.3084       149.9794 41.10617 11.03908 41.34954 8.894448 
-0.2433739     14.17648 
1 1 1 -23 -16 6  o 43.60970 6.599555  476.9995       111.8205 382.8073       
197.5067 521.4350       135.6560 38.79690 11.38812 48.42250 6.672871 -9.625607 
13.19911 
1 1 1 -23 -16 7  o 25.25468 6.998350  90.17677       100.9497 210.9770       
186.5156 40.12819       120.0542 30.23455 11.14853 20.27481 8.462737 9.959740 
13.99670 
1 1 1 -23 -16 8  o 53.24816 5.662398  658.4720       114.9836 678.1534       
201.7649 649.0056       139.9301 52.56494 9.489902 53.93138 6.180031 -1.366440 
11.32480 
1 1 1 -23 -16 9  o 30.90401 7.349792  245.8137       114.7511 181.6235       
187.4523 284.2855       145.1200 28.39524 11.00337 33.41278 9.746984 -5.017534 
14.69958 
1 1 1 -23 -16 10 o 27.56253 7.255968  181.1627       111.8306 169.6636       
175.4276 189.0345       145.1456 27.34364 10.63454 27.78142 9.874356 
-0.4377785     14.51194 
1 1 1 -23 -16 11 o 49.50005 6.158021  608.0007       124.7086 630.5208       
171.8840 582.9692       181.2148 51.25569 7.987567 47.74442 9.374628 3.511276 
12.31604 
1 1 1 -23 -16 12 o 67.82040 5.008234  1092.048       140.6080 1040.398       
213.1489 1131.840       187.0894 65.66994 7.731033 69.97087 6.368733 -4.300926 
10.01647 
1 1 1 -23 -16 13 f 22.24785 6.346009  75.60651       99.80281 -41.43636      
144.7148 181.7660       137.8224 18.08421 8.304029 26.41150 9.598458 -8.327282 
12.69202 
1 1 1 -23 -16 14 o 27.15201 6.740178  196.4562       105.4600 67.42431       
153.4559 311.9368       145.1743 21.38771 9.265553 32.91631 9.791297 -11.52860 
13.48036 
1 1 1 -23 -16 15 o 17.80440 5.936603  -80.67101      115.2764 26.02339       
173.7908 -164.4936      154.0411 20.23783 9.220443 15.37097 7.480405 4.866859 
11.87321 
1 1 1 -23 -15 1  o 25.25301 7.929200  -38.76917      164.4212 -46.53699      
210.3123 -26.55780      263.6919 23.60674 10.49976 26.89927 11.88461 -3.292528 
15.85840 
1 1 1 -23 -15 2  o 114.2128 4.939111  2877.617       233.3327 2608.317       
350.4195 3092.128       312.7487 108.9175 7.663227 119.5082 6.233314 -10.59069 
9.878222 
1 1 1 -23 -15 3  o 34.72515 7.379457  285.8210       119.1306 210.8414       
177.2172 347.6387       160.9127 31.10998 10.92556 38.34033 9.922587 -7.230352 
14.75891 
1 1 1 -23 -15 4  o 19.89086 6.346649  -59.76450      112.0762 -41.17652      
169.1262 -74.31858      149.6535 21.00430 9.376848 18.77742 8.555381 2.226885 
12.69330 
1 1 1 -23 -15 5  o 25.64563 7.126509  77.01669       109.0279 209.9089       
190.7056 12.49054       132.8867 31.00654 11.28857 20.28471 8.701539 10.72183 
14.25302 
1 1 1 -23 -15 6  o 27.79262 7.267008  137.2532       107.4784 249.4515       
189.8955 84.37125       130.3694 32.53243 11.32058 23.05281 9.114934 9.479622 
14.53402 
1 1 1 -23 -15 7  o 43.87210 6.730514  450.6661       115.8428 525.8290       
197.9868 411.5395       142.8468 46.02706 10.47764 41.71714 8.450934 4.309914 
13.46103 
1 1 1 -23 -15 8  o 24.87288 6.940525  111.3793       108.0853 27.58547       
187.0340 153.3942       132.4390 23.43345 10.19157 26.31232 9.424198 -2.878870 
13.88105 
1 1 1 -23 -15 9  o 19.41648 6.215430  -35.37529      105.8507 -97.41904      
182.2939 -3.815309      130.0144 19.74745 9.165748 19.08551 8.397342 0.6619377 
12.43086 
1 1 1 -23 -15 10 o 22.75551 6.759811  64.93536       109.4081 71.74618       
157.1135 58.52331       152.4448 23.10590 9.665186 22.40512 9.453272 0.7007790 
13.51962 
1 1 1 -23 -15 11 o 35.07746 7.393405  320.2122       112.9879 361.9052       
192.2659 298.2177       139.6457 36.14104 11.37513 34.01388 9.447553 2.127163 
14.78681 
1 1 1 -23 -15 12 o 15.80116 5.265051  -113.0442      93.27776 -231.0443      
149.9458 -38.55480      119.1353 14.77418 7.227428 16.82814 7.658154 -2.053962 
10.53010 
1 1 1 -23 -15 13 o 18.37732 5.957362  -43.80647      104.8275 -86.40148      
155.5053 -8.328100      141.9213 17.74290 8.312778 19.01174 8.535711 -1.268845 
11.91472 
1 1 1 -23 -15 14 o 43.89544 6.247046  506.0879       112.2503 456.9871       
166.9744 546.5764       151.6252 40.62475 9.872776 47.16613 7.657064 -6.541378 
12.49409 
1 1 1 -23 -15 15 o 37.74594 7.390156  441.7849       123.7253 367.4787       
192.6567 493.9421       161.4093 33.42944 11.42113 42.06244 9.381658 -8.633003 
14.78031 
1 1 1 -23 -15 16 o 22.39071 6.935898  108.0154       124.0243 111.7445       
182.7549 104.8317       168.8615 22.63067 9.956537 22.15075 9.658886 0.4799232 
13.87180 
1 1 1 -23 -14 1  o 107.6902 6.255263  2542.139       280.2198 3063.911       
415.8105 2108.009       379.2848 117.9996 8.393366 97.38094 9.277105 20.61861 
12.51053 
1 1 1 -23 -14 2  o 24.19930 7.108068  33.08211       121.1856 119.8718       
179.9198 -38.98898      163.9552 27.43166 10.74905 20.96694 9.303576 6.464722 
14.21614 
1 1 1 -23 -14 3  o 73.25388 5.320199  1153.751       157.4960 1268.266       
265.7009 1091.719       195.5545 75.61787 8.369309 70.88988 6.570594 4.727989 
10.64040 
1 1 1 -23 -14 4  o 57.74155 5.316942  650.1159       119.8923 995.2654       
226.6150 515.9566       141.2848 66.93793 8.063756 48.54515 6.932194 18.39278 
10.63388 
1 1 1 -23 -14 5  o 64.98381 5.104053  924.5182       123.7556 949.0043       
237.4268 915.3841       145.0127 64.83459 8.722562 65.13303 5.303051 
-0.2984390     10.20811 
1 1 1 -23 -14 6  o 57.77663 5.268242  729.6995       120.0869 787.0557       
211.9071 702.5661       145.7495 58.87192 8.573505 56.68134 6.124745 2.190586 
10.53648 
1 1 1 -23 -14 7  o 40.48544 7.174857  385.8165       117.4072 462.6694       
199.9937 345.4025       145.0282 43.03197 11.02138 37.93891 9.189311 5.093060 
14.34971 
1 1 1 -23 -14 8  o 36.92848 7.314473  310.4516       120.1118 502.3793       
195.6018 194.2728       152.1835 44.84220 10.55343 29.01476 10.13071 15.82743 
14.62895 
1 1 1 -23 -14 9  o 40.70832 7.275492  408.4177       118.8734 450.5543       
208.1220 388.0151       144.8210 41.42092 11.54298 39.99571 8.859495 1.425209 
14.55098 
1 1 1 -23 -14 10 f 76.84259 4.373879  1288.139       123.6993 1392.738       
244.9795 1252.344       143.3104 77.75998 7.504033 75.92520 4.495861 1.834778 
8.747758 
1 1 1 -23 -14 11 f 31.85001 5.980746  280.2941       104.4521 -49.26051      
195.6393 411.6879       123.5321 21.33803 9.738204 42.36198 6.945839 -21.02394 
11.96149 
1 1 1 -23 -14 12 o 22.85478 6.553105  92.48728       97.49837 62.05584       
158.6134 110.9689       123.6085 22.52119 9.578551 23.18837 8.945619 
-0.6671753     13.10621 
1 1 1 -23 -14 13 o 35.99671 6.150763  326.0498       91.43751 377.3259       
139.7623 287.6785       120.9026 38.39511 8.846367 33.59832 8.548059 4.796795 
12.30153 
1 1 1 -23 -14 14 o 27.92731 7.081196  208.1451       105.6922 191.4335       
158.3826 221.5618       141.9126 27.16256 10.22196 28.69207 9.802286 -1.529516 
14.16239 
1 1 1 -23 -14 15 o 23.69313 6.946983  110.7346       115.0305 184.7595       
167.4707 44.61689       158.2739 26.35765 10.35954 21.02861 9.258628 5.329042 
13.89397 
1 1 1 -23 -14 16 o 19.55917 6.368654  -26.63912      121.2541 85.65201       
182.2572 -115.8078      162.4119 22.31857 9.868091 16.79978 8.053557 5.518787 
12.73731 
1 1 1 -23 -14 17 o 20.28793 6.553798  34.49663       123.3132 50.04292       
193.8630 23.93212       159.8108 21.12730 9.663589 19.44856 8.855740 1.678745 
13.10760 
1 1 1 -23 -13 1  o 39.47317 8.681605  294.8908       176.1153 65.60455       
229.2131 625.3281       275.1661 27.94089 11.67999 51.00545 12.84753 -23.06456 
17.36321 
1 1 1 -23 -13 2  o 37.90438 7.495604  336.9202       123.5227 313.1446       
190.3198 354.2246       162.3665 36.75721 11.26744 39.05154 9.888433 -2.294331 
14.99121 
1 1 1 -23 -13 3  o 61.98149 5.358896  764.0813       130.0636 1067.318       
243.4230 642.9208       153.8689 69.53077 8.338839 54.43221 6.733116 15.09856 
10.71779 
1 1 1 -23 -13 4  o 90.92894 4.506425  1754.692       155.7497 1886.088       
294.1855 1703.520       183.5902 92.64597 7.563379 89.21192 4.901710 3.434044 
9.012850 
1 1 1 -23 -13 5  o 94.19164 5.018100  1942.243       174.4562 1957.943       
339.0229 1936.589       203.4618 93.45352 8.640809 94.92976 5.105070 -1.476234 
10.03620 
1 1 1 -23 -13 6  o 58.54466 5.456303  743.7261       127.4946 826.7538       
221.3727 702.5180       155.9565 60.46420 8.720610 56.62511 6.560177 3.839088 
10.91261 
1 1 1 -23 -13 7  o 43.76906 7.149263  421.5546       126.0860 657.7339       
216.0338 299.5416       155.2759 52.31772 10.19935 35.22039 10.02103 17.09732 
14.29853 
1 1 1 -23 -13 8  o 60.86338 5.297058  814.9220       130.1446 901.8959       
220.1134 768.1740       161.3737 62.81333 8.346720 58.91344 6.524383 3.899891 
10.59412 
1 1 1 -23 -13 9  o 40.43533 6.475042  360.2721       103.8235 546.0906       
181.2471 269.5204       126.6642 47.49036 9.425457 33.38030 8.880622 14.11006 
12.95008 
1 1 1 -23 -13 10 o 40.23874 6.647674  332.0548       104.8995 630.9122       
199.3831 217.6677       123.3516 50.57322 9.738008 29.90425 9.051931 20.66897 
13.29535 
1 1 1 -23 -13 11 o 18.30621 6.010397  -63.20407      92.02454 -32.46114      
191.5741 -72.42574      104.9225 21.67694 9.814720 14.93548 6.940516 6.741457 
12.02079 
1 1 1 -23 -13 12 o 35.31483 6.842720  332.0879       105.0182 267.4512       
174.1554 369.0216       131.6463 31.86891 10.85889 38.76075 8.329217 -6.891846 
13.68544 
1 1 1 -23 -13 13 o 28.34203 5.702468  161.6250       96.66350 -94.54235      
140.2224 393.5953       133.4356 16.80186 7.875800 39.88220 8.248899 -23.08034 
11.40494 
1 1 1 -23 -13 14 o 67.01541 4.871479  998.7859       123.6152 1190.124       
238.3599 928.3922       144.5770 69.77958 8.136280 64.25124 5.359679 5.528343 
9.742957 
1 1 1 -23 -13 15 o 34.04184 7.441436  329.6330       114.8941 349.3386       
188.7298 318.0297       144.8228 34.10112 11.30413 33.98256 9.680731 0.1185570 
14.88287 
1 1 1 -23 -13 16 o 20.20318 6.504664  1.918319       119.6627 32.11636       
186.4002 -19.25142      156.0683 21.48399 9.706723 18.92237 8.661533 2.561621 
13.00933 
1 1 1 -23 -13 17 o 26.31196 7.576442  206.6145       129.7549 293.9865       
204.4918 147.7277       167.8798 28.90460 11.41983 23.71932 9.959787 5.185280 
15.15288 
1 1 1 -23 -12 1  o 33.73648 8.518493  236.1031       153.3207 270.6239       
203.6143 190.8989       233.0010 35.02782 11.74143 32.44515 12.34495 2.582672 
17.03699 
1 1 1 -23 -12 2  o 114.1244 5.285658  2808.550       230.0447 2890.529       
427.4109 2775.116       272.9533 114.4619 8.894179 113.7869 5.713695 0.6749496 
10.57132 
1 1 1 -23 -12 3  o 66.98711 5.321040  965.7820       138.0570 1014.085       
250.9276 944.8132       165.3294 67.69412 8.829144 66.28011 5.941387 1.414017 
10.64208 
1 1 1 -23 -12 4  o 21.58222 6.630927  -3.361591      108.3711 -2.538152      
178.5449 -3.841909      136.3629 22.97191 9.973685 20.19253 8.740846 2.779375 
13.26185 
1 1 1 -23 -12 5  o 51.23411 6.710455  595.3759       132.5781 620.3473       
231.9476 583.2585       161.5739 50.94837 11.14992 51.51985 7.469951 
-0.5714798     13.42091 
1 1 1 -23 -12 6  o 75.59183 4.985319  1268.014       150.0516 1211.277       
252.3179 1299.058       186.6423 73.70233 8.154324 77.48132 5.737650 -3.778984 
9.970638 
1 1 1 -23 -12 7  o 71.84663 5.386873  1170.979       151.0186 1084.394       
261.0280 1214.544       185.1524 68.98604 9.012535 74.70723 5.903203 -5.721191 
10.77375 
1 1 1 -23 -12 8  o 43.88627 6.760396  410.3844       113.1974 622.2231       
212.0224 325.9276       133.8741 50.67221 10.32430 37.10033 8.730450 13.57188 
13.52079 
1 1 1 -23 -12 9  o 23.45590 6.567498  82.18028       101.3700 -32.67141      
168.6553 147.1382       126.8374 20.88567 9.342755 26.02613 9.232609 -5.140461 
13.13500 
1 1 1 -23 -12 10 o 34.82742 6.353976  333.4137       106.0694 77.96555       
196.7968 438.0047       125.9255 25.46874 10.74307 44.18610 6.788113 -18.71736 
12.70795 
1 1 1 -23 -12 11 o 45.02644 6.359911  428.6349       107.9837 700.9415       
206.1703 325.6959       126.7614 53.37366 9.545352 36.67921 8.407148 16.69445 
12.71982 
1 1 1 -23 -12 12 o 46.23824 6.043867  512.2764       107.9703 526.2624       
186.6160 505.2390       132.3760 45.34407 10.06779 47.13241 6.689762 -1.788338 
12.08773 
1 1 1 -23 -12 13 o 27.07509 7.026248  165.8081       104.3447 237.2285       
163.2023 116.4271       135.7048 30.24199 10.49756 23.90819 9.342049 6.333792 
14.05250 
1 1 1 -23 -12 14 o 35.93834 6.966798  318.3312       102.1266 434.3802       
184.3948 266.9825       122.6571 39.62443 10.79385 32.25225 8.811242 7.372181 
13.93360 
1 1 1 -23 -12 15 o 23.36365 6.825386  102.1552       102.5551 105.4727       
187.9086 100.7479       122.3904 24.47265 10.41760 22.25464 8.821404 2.218016 
13.65077 
1 1 1 -23 -12 16 o 32.00048 7.152499  275.7626       107.7331 399.6900       
172.8954 197.1054       137.7427 36.99517 10.58975 27.00579 9.617182 9.989382 
14.30500 
1 1 1 -23 -12 17 o 39.91173 7.669446  487.8484       129.7068 535.9728       
207.6767 457.0703       166.0830 40.42609 11.61737 39.39737 10.01590 1.028725 
15.33889 
1 1 1 -23 -12 18 o 19.87718 6.382856  21.24653       117.3501 100.0445       
171.0300 -48.85142      161.3122 21.97167 9.649406 17.78269 8.357773 4.188980 
12.76571 
1 1 1 -23 -11 1  o 55.71118 6.760840  691.2271       154.7538 739.5226       
229.0581 650.6709       209.9040 57.89315 9.424093 53.52921 9.696511 4.363945 
13.52168 
1 1 1 -23 -11 2  o 21.84288 6.695911  -79.59634      113.6690 113.1660       
192.6512 -182.5405      140.7867 27.93827 11.06965 15.74748 7.536821 12.19079 
13.39182 
1 1 1 -23 -11 3  o 52.85187 6.795275  639.8731       141.7323 597.4174       
230.1288 665.8183       179.9002 50.46521 11.15918 55.23853 7.757301 -4.773315 
13.59055 
1 1 1 -23 -11 4  o 28.17757 7.312034  144.3840       120.8056 14.56589       
190.3635 231.9158       156.3145 24.24180 10.40739 32.11334 10.27373 -7.871536 
14.62407 
1 1 1 -23 -11 5  o 81.19026 5.002753  1410.221       164.5455 1543.694       
275.8537 1336.501       205.0113 83.76451 7.844040 78.61600 6.211377 5.148506 
10.00551 
1 1 1 -23 -11 6  o 97.70638 4.674309  2092.356       186.9205 2021.286       
296.2301 2139.373       240.9438 95.89137 7.358185 99.52138 5.766608 -3.630005 
9.348618 
1 1 1 -23 -11 7  o 43.34423 6.285839  437.8624       104.3872 414.9101       
187.0677 448.2412       125.7937 41.43788 10.68658 45.25058 6.621492 -3.812695 
12.57168 
1 1 1 -23 -11 8  o 57.29885 5.335676  638.0767       114.4427 960.3777       
235.2785 538.1870       130.9820 65.03307 8.617256 49.56463 6.294495 15.46844 
10.67135 
1 1 1 -23 -11 9  o 22.83147 6.732121  56.73795       104.4627 17.63589       
179.0053 76.93150       128.6389 23.05946 9.998738 22.60348 9.017263 0.4559784 
13.46424 
1 1 1 -23 -11 10 o 40.16185 6.692653  411.4032       104.0715 322.9615       
202.8560 442.9966       121.2432 35.66626 11.71955 44.65744 6.466731 -8.991177 
13.38531 
1 1 1 -23 -11 11 o 33.98366 6.733780  295.7840       99.12856 234.6278       
174.1164 325.1129       120.5777 31.01379 10.83546 36.95353 7.997999 -5.939735 
13.46756 
1 1 1 -23 -11 12 o 46.37070 6.614683  527.9800       119.2519 525.1168       
207.0630 529.4010       145.8729 44.67314 11.08005 48.06825 7.228321 -3.395115 
13.22937 
1 1 1 -23 -11 13 o 23.45507 6.416062  107.7345       92.75798 43.72012       
145.5655 151.4985       120.3589 21.43813 9.148747 25.47202 8.997992 -4.033892 
12.83212 
1 1 1 -23 -11 14 o 54.41943 4.898580  702.5343       108.3565 583.9363       
164.2104 794.0004       144.2089 49.47086 7.906281 59.36799 5.785764 -9.897133 
9.797160 
1 1 1 -23 -11 15 o 39.41670 6.782923  445.6201       113.5854 292.7623       
202.6323 515.6572       137.1605 31.97832 11.63681 46.85508 6.972577 -14.87676 
13.56585 
1 1 1 -23 -11 16 o 43.52319 6.821658  490.7797       113.5933 547.6769       
212.9228 468.1430       134.3023 42.89848 11.56013 44.14790 7.245934 -1.249428 
13.64332 
1 1 1 -23 -11 17 f 32.65817 6.680427  313.8084       100.1126 231.8974       
165.5076 361.0706       125.7198 28.21999 10.48292 37.09635 8.283763 -8.876364 
13.36085 
1 1 1 -23 -11 18 o 21.83181 6.631855  71.26088       109.0219 200.2091       
176.0092 -9.009981      138.8694 25.75360 10.43583 17.91001 8.186538 7.843592 
13.26371 
1 1 1 -23 -10 1  o 21.64412 7.062761  -146.1065      149.2727 -168.7862      
201.5898 -118.5757      222.1053 20.45688 9.550241 22.83136 10.40785 -2.374475 
14.12552 
1 1 1 -23 -10 2  o 90.26349 4.783409  1656.418       170.1922 2051.090       
309.8018 1485.823       203.6799 97.21960 7.590163 83.30737 5.823522 13.91223 
9.566817 
1 1 1 -23 -10 3  o 129.1206 5.482047  3628.597       286.1578 3641.027       
472.4945 3621.397       359.6100 128.6560 8.747580 129.5853 6.609932 
-0.9293671     10.96409 
1 1 1 -23 -10 4  o 57.75786 5.613085  736.2818       133.7226 691.5406       
205.2995 769.2516       176.2350 55.97155 8.736583 59.54418 7.049754 -3.572632 
11.22617 
1 1 1 -23 -10 5  o 115.1758 5.514076  2974.829       252.4818 2679.965       
418.4646 3143.613       316.6018 109.7020 9.085841 120.6496 6.250410 -10.94759 
11.02815 
1 1 1 -23 -10 6  o 65.56715 4.833216  964.3508       121.0191 865.1505       
215.9223 1009.785       146.1282 62.49389 8.229643 68.64041 5.070786 -6.146526 
9.666431 
1 1 1 -23 -10 7  o 19.68665 6.384817  -55.51988      99.45005 -90.21483      
215.6939 -46.15295      112.0736 22.63118 10.30045 16.74211 7.547471 5.889069 
12.76963 
1 1 1 -23 -10 8  o 60.24680 5.196364  802.6151       119.5807 807.5213       
219.6914 800.5495       142.5476 59.70740 8.764074 60.78621 5.585678 -1.078815 
10.39273 
1 1 1 -23 -10 9  o 53.29576 6.111193  637.6375       119.6617 697.7454       
227.2037 614.5645       140.7670 53.70594 10.44950 52.88559 6.339932 0.8203506 
12.22239 
1 1 1 -23 -10 10 o 23.98631 7.042705  34.12276       106.9136 175.4189       
203.9326 -19.43153      125.5505 29.48247 11.46609 18.49014 8.180919 10.99232 
14.08541 
1 1 1 -23 -10 11 o 22.04530 6.473949  -29.38356      101.5350 190.1025       
175.4679 -139.8718      124.4951 29.12791 10.79902 14.96269 7.143470 14.16522 
12.94790 
1 1 1 -23 -10 12 o 30.94618 7.144438  230.0329       102.0356 263.0268       
179.1272 214.1849       124.1455 32.27343 11.01280 29.61893 9.104409 2.654501 
14.28888 
1 1 1 -23 -10 13 o 18.80931 6.066035  -49.63476      104.2385 -39.30512      
164.1008 -56.62198      134.9648 19.95876 9.057444 17.65988 8.071545 2.298880 
12.13207 
1 1 1 -23 -10 14 o 72.35843 4.515223  1237.847       129.5811 997.1018       
205.9769 1395.536       166.7023 65.20701 7.523941 79.50985 4.993923 -14.30284 
9.030446 
1 1 1 -23 -10 15 o 37.40534 7.281351  338.2662       110.8691 518.7677       
204.3998 263.0231       131.9695 43.05563 11.20221 31.75505 9.304985 11.30057 
14.56270 
1 1 1 -23 -10 16 o 21.62437 6.528045  62.24307       100.7831 67.67206       
172.1468 59.41189       124.3147 22.76166 9.836533 20.48708 8.585109 2.274580 
13.05609 
1 1 1 -23 -10 17 o 55.21377 4.813568  719.1659       110.6177 794.1639       
170.4635 664.6111       145.3862 57.40620 7.072838 53.02134 6.531209 4.384865 
9.627135 
1 1 1 -23 -10 18 o 15.30208 5.204880  -128.0357      98.17470 -160.7509      
145.2639 -100.5290      133.1993 15.08285 7.316236 15.52132 7.405119 
-0.4384689     10.40976 
1 1 1 -23 -10 19 o 25.36750 7.332994  189.7603       116.7000 241.6903       
213.7042 167.6943       139.3047 26.61874 11.21000 24.11626 9.456590 2.502485 
14.66599 
1 1 1 -23 -9  1  o 37.86410 11.48449  327.4409       198.4238 0.000000       
0.000000 327.4409       198.4238 ?        ?        37.86410 11.48449 ? ? 
1 1 1 -23 -9  2  o 63.38389 5.466098  882.8017       140.5397 825.1385       
225.6863 919.3257       179.6164 61.37768 8.758219 65.39009 6.542670 -4.012409 
10.93220 
1 1 1 -23 -9  3  o 83.59754 5.104191  1508.440       173.5940 1532.525       
283.3669 1493.971       219.6325 83.81836 8.052505 83.37672 6.274409 0.4416351 
10.20838 
1 1 1 -23 -9  4  o 43.14681 7.303633  433.0088       128.7244 428.9942       
204.2685 435.6531       165.7847 42.70681 11.23922 43.58681 9.330176 
-0.8799973     14.60727 
1 1 1 -23 -9  5  o 20.79942 6.547759  -35.20779      111.7351 -125.4210      
199.6981 5.905778       134.8129 21.11823 9.721365 20.48062 8.774260 0.6376114 
13.09552 
1 1 1 -23 -9  6  o 92.78247 5.080390  1963.752       168.6441 1706.306       
329.5571 2055.086       196.2925 87.47791 8.973323 98.08704 4.766650 -10.60912 
10.16078 
1 1 1 -23 -9  7  o 36.81944 7.078438  330.4917       113.0777 248.3275       
185.9443 378.7092       142.4439 33.13444 11.22040 40.50444 8.632484 -7.369999 
14.15688 
1 1 1 -23 -9  8  o 31.49041 6.243056  252.8356       111.3828 -170.7566      
219.7654 399.2563       129.2071 21.09607 9.883501 41.88475 7.630165 -20.78868 
12.48611 
1 1 1 -23 -9  9  o 50.19324 5.670536  518.1704       109.5479 693.7128       
210.8485 453.2637       128.2108 55.03121 9.126044 45.35526 6.733143 9.675953 
11.34107 
1 1 1 -23 -9  10 o 29.87122 7.280992  193.9122       102.9519 237.4835       
193.0585 176.5978       121.7003 31.99467 11.38647 27.74777 9.077426 4.246897 
14.56198 
1 1 1 -23 -9  11 o 63.93697 4.879078  913.0812       118.0949 917.7607       
219.7471 911.1810       140.0357 63.17491 8.285136 64.69902 5.155398 -1.524113 
9.758157 
1 1 1 -23 -9  12 o 32.37792 7.373193  256.4184       111.2914 290.9243       
180.6777 235.3222       141.2735 33.81561 11.06036 30.94023 9.753174 2.875385 
14.74639 
1 1 1 -23 -9  13 o 71.99384 4.831021  1225.473       134.0472 1027.354       
228.4785 1329.462       165.5296 66.13879 8.228302 77.84889 5.064591 -11.71011 
9.662042 
1 1 1 -23 -9  14 o 22.35886 6.683068  59.54297       108.1491 16.27937       
170.8084 88.49276       139.7239 21.79668 9.606031 22.92105 9.293963 -1.124372 
13.36614 
1 1 1 -23 -9  15 o 20.95137 6.570790  -62.81036      111.7473 154.6183       
196.1796 -167.2425      135.9604 26.94895 10.98260 14.95380 7.216906 11.99515 
13.14158 
1 1 1 -23 -9  16 o 34.92385 7.601053  303.0990       111.6679 463.2497       
216.5790 245.1076       130.3268 39.35965 12.01044 30.48805 9.319520 8.871599 
15.20211 
1 1 1 -23 -9  17 o 44.88613 6.377295  533.0607       112.3389 487.2324       
187.7798 558.6050       140.1938 41.27153 10.73670 48.50072 6.884963 -7.229191 
12.75459 
1 1 1 -23 -9  18 o 40.02525 6.528506  447.2404       108.1572 371.5759       
159.3969 511.8035       147.2402 35.62973 10.15814 44.42076 8.203526 -8.791035 
13.05701 
1 1 1 -23 -9  19 o 19.45997 6.169226  32.85347       104.4923 37.72829       
149.3855 28.18342       146.2144 19.66487 8.794848 19.25507 8.653789 0.4097996 
12.33845 
1 1 1 -23 -8  1  o 20.96175 6.743416  -97.74834      130.4767 -185.3917      
206.5356 -39.53952      168.3177 20.46681 9.587385 21.45669 9.485604 
-0.9898815     13.48683 
1 1 1 -23 -8  2  o 30.35895 8.002917  154.3853       138.8175 249.0643       
209.5090 80.29040       185.3403 34.28332 11.89458 26.43457 10.71007 7.848743 
16.00583 
1 1 1 -23 -8  3  o 56.74443 8.834499  706.8276       210.4670 706.8276       
210.4670 0.000000       0.000000 56.74443 8.834499 ?        ?        ? ? 
1 1 1 -23 -8  4  o 65.11339 5.519166  866.9713       142.4761 1102.120       
257.0467 762.6887       171.1775 70.82005 8.645236 59.40674 6.863286 11.41331 
11.03833 
1 1 1 -23 -8  5  o 57.88872 6.190030  744.6713       124.4059 757.6433       
252.6518 740.5196       142.9346 57.04835 10.93894 58.72910 5.797026 -1.680748 
12.38006 
1 1 1 -23 -8  6  o 44.60027 6.412572  397.9682       113.7657 659.4854       
203.1934 278.5562       137.3040 54.48137 8.883470 34.71917 9.250313 19.76221 
12.82514 
1 1 1 -23 -8  7  o 81.38058 4.773187  1343.878       135.7213 1628.420       
298.7405 1269.875       152.3515 85.68201 8.304730 77.07916 4.707941 8.602844 
9.546373 
1 1 1 -23 -8  8  o 62.67352 5.079091  858.2095       126.8230 881.7391       
217.2234 846.0413       156.2107 62.87613 8.228904 62.47092 5.955989 0.4052010 
10.15818 
1 1 1 -23 -8  9  o 30.59357 7.469610  193.2867       109.1028 271.3863       
199.5578 159.9897       130.3010 34.03272 11.62388 27.15442 9.384328 6.878300 
14.93922 
1 1 1 -23 -8  10 o 36.55796 6.455926  353.3449       112.5903 90.16632       
193.2376 488.6100       138.5349 26.21679 10.82649 46.89912 7.035832 -20.68233 
12.91185 
1 1 1 -23 -8  11 o 54.06812 5.872887  560.1546       119.1354 1062.733       
230.3655 376.6634       139.1948 68.30247 8.033450 39.83377 8.568950 28.46870 
11.74577 
1 1 1 -23 -8  12 o 21.24553 6.570638  8.939225       109.7022 -25.62768      
179.6102 29.50749       138.5478 21.54355 9.639113 20.94751 8.931999 0.5960407 
13.14128 
1 1 1 -23 -8  13 o 21.71381 6.330718  39.00906       103.1188 -131.7910      
172.0125 134.8262       128.8362 18.37550 8.634683 25.05213 9.260357 -6.676624 
12.66144 
1 1 1 -23 -8  14 o 21.47022 6.391620  42.86567       100.9394 -25.37253      
147.7708 102.5580       138.2083 19.36031 8.700481 23.58013 9.365515 -4.219820 
12.78324 
1 1 1 -23 -8  15 o 30.40335 6.991256  241.5439       102.8112 205.0555       
164.5916 264.8903       131.6558 28.66294 10.48214 32.14377 9.253940 -3.480825 
13.98251 
1 1 1 -23 -8  16 o 31.68006 6.918321  274.4674       101.3114 217.1469       
181.1443 300.5587       122.2129 28.93287 10.92098 34.42726 8.496164 -5.494396 
13.83664 
1 1 1 -23 -8  17 o 26.24561 6.958168  171.7360       100.9479 172.7523       
172.1007 171.2029       124.6419 26.53162 10.47828 25.95961 9.158058 0.5720043 
13.91634 
1 1 1 -23 -8  18 o 31.16379 7.109351  243.1883       102.9591 416.3877       
181.2706 160.7021       125.0964 37.34533 10.89338 24.98225 9.138144 12.36308 
14.21870 
1 1 1 -23 -8  19 o 15.42856 5.247677  -132.9789      101.1935 -190.9404      
150.6729 -85.35223      136.5809 14.85057 7.260163 16.00654 7.579084 -1.155969 
10.49535 
1 1 1 -23 -8  20 o 19.71683 6.396701  14.63244       122.6685 -59.67670      
187.0940 70.66249       162.4611 18.59604 8.836061 20.83762 9.251764 -2.241585 
12.79340 
1 1 1 -23 -7  1  o 100.4848 4.842314  2163.433       203.2363 2243.416       
305.3669 2099.833       272.3051 102.0472 7.127577 98.92245 6.556651 3.124771 
9.684628 
1 1 1 -23 -7  2  o 67.09385 4.296686  990.0563       115.3856 867.4182       
187.4742 1064.842       146.3992 63.43157 7.039748 70.75613 4.928286 -7.324558 
8.593372 
1 1 1 -23 -7  3  o 30.07044 7.737250  172.2065       131.3790 57.29412       
211.0791 244.8761       167.8565 26.92244 11.22837 33.21844 10.64819 -6.296009 
15.47450 
1 1 1 -23 -7  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -23 -7  5  o 40.08642 6.849346  426.8202       122.4419 119.9918       
224.8718 556.1227       145.9791 29.48120 11.85770 50.69164 6.859231 -21.21043 
13.69869 
1 1 1 -23 -7  6  o 133.7583 5.998533  3831.701       250.6549 4130.039       
618.4752 3773.068       274.1816 134.5965 10.94484 132.9202 4.913245 1.676315 
11.99707 
1 1 1 -23 -7  7  o 56.58011 5.900411  727.9324       117.5981 694.1130       
229.6580 739.9514       136.9090 54.50198 10.40928 58.65825 5.559349 -4.156265 
11.80082 
1 1 1 -23 -7  8  o 25.89389 7.075987  117.3053       105.4371 52.51417       
197.8286 143.0120       124.6106 25.59981 10.78346 26.18797 9.164897 
-0.5881577     14.15197 
1 1 1 -23 -7  9  o 32.70720 7.363575  243.6988       109.5163 272.4257       
188.5362 229.0697       134.5423 34.06589 11.29833 31.34851 9.446518 2.717381 
14.72715 
1 1 1 -23 -7  10 o 62.44595 5.307119  921.8662       121.7122 749.2112       
222.8642 995.2479       145.2929 57.02287 9.309200 67.86904 5.099102 -10.84617 
10.61424 
1 1 1 -23 -7  11 o 17.71357 5.674153  -95.10147      100.8422 -381.1197      
181.5099 32.59763       121.2823 15.23558 7.551173 20.19157 8.471354 -4.955991 
11.34831 
1 1 1 -23 -7  12 o 86.47577 4.415279  1638.109       146.1271 1704.339       
269.9283 1610.653       173.7966 86.76625 7.410007 86.18530 4.803183 0.5809555 
8.830559 
1 1 1 -23 -7  13 o 42.96117 7.021811  443.8203       114.7118 507.9474       
216.2829 418.7207       135.3115 43.86122 11.57515 42.06113 7.952303 1.800095 
14.04362 
1 1 1 -23 -7  14 o 40.45947 6.700888  414.0211       111.5706 383.7415       
166.8068 438.5339       150.0842 38.59244 10.15647 42.32650 8.743784 -3.734062 
13.40178 
1 1 1 -23 -7  15 f 28.20596 6.888691  182.3825       98.68141 275.0040       
158.4463 123.6894       126.1305 32.36583 10.34244 24.04609 9.102203 8.319738 
13.77738 
1 1 1 -23 -7  16 o 26.37975 7.054485  150.9060       100.5339 222.8387       
180.9826 118.8043       120.9032 29.34298 10.94970 23.41652 8.897592 5.926460 
14.10897 
1 1 1 -23 -7  17 o 24.79519 7.166680  128.4268       117.8499 57.71419       
209.1425 161.3257       142.6544 23.84659 10.55381 25.74380 9.698569 -1.897207 
14.33336 
1 1 1 -23 -7  18 o 37.21238 6.717848  400.1834       105.3629 301.8222       
199.0923 438.4483       124.1775 31.54971 11.52943 42.87505 6.898571 -11.32534 
13.43570 
1 1 1 -23 -7  19 o 41.82117 7.233256  479.3398       113.8317 593.6473       
226.9946 440.9369       131.5710 42.30968 12.14144 41.33265 7.865458 0.9770317 
14.46651 
1 1 1 -23 -7  20 o 21.33994 6.779526  67.84555       127.0029 55.40730       
186.5674 78.58703       173.3757 21.20110 9.630879 21.47879 9.544319 
-0.2776871     13.55905 
1 1 1 -23 -6  1  o 101.6550 4.196812  2259.458       173.2862 1972.041       
271.5964 2456.790       225.0433 95.81036 6.752002 107.4996 4.986321 -11.68924 
8.393624 
1 1 1 -23 -6  2  o 80.65054 4.100373  1343.307       131.1549 1533.193       
232.6044 1254.795       158.8073 84.48740 6.557633 76.81367 4.924398 7.673737 
8.200747 
1 1 1 -23 -6  3  o 63.27319 4.787323  900.2640       119.0005 737.9561       
196.2881 994.5872       149.6351 58.23793 8.028034 68.30844 5.217713 -10.07051 
9.574647 
1 1 1 -23 -6  4  o 34.86472 6.910864  299.9993       106.1419 152.4452       
202.1815 356.1386       124.7095 29.86603 11.45986 39.86342 7.727341 -9.997391 
13.82173 
1 1 1 -23 -6  5  o 41.98346 8.411219  398.9741       143.0263 0.000000       
0.000000 398.9741       143.0263 ?        ?        41.98346 8.411219 ? ? 
1 1 1 -23 -6  6  o 62.15276 9.154748  858.5700       238.8833 858.5700       
238.8833 0.000000       0.000000 62.15276 9.154748 ?        ?        ? ? 
1 1 1 -23 -6  7  o 75.54021 5.174972  1321.430       145.1426 1071.359       
262.4767 1431.578       174.1992 69.30446 9.020916 81.77595 5.073895 -12.47149 
10.34994 
1 1 1 -23 -6  8  o 82.50093 5.017859  1488.625       155.1062 1493.359       
294.2782 1486.805       182.5166 81.81038 8.567827 83.19148 5.225702 -1.381104 
10.03572 
1 1 1 -23 -6  9  o 89.58379 4.533627  1678.412       149.6216 1908.433       
300.5884 1602.649       172.5116 92.72579 7.721340 86.44180 4.753524 6.283997 
9.067253 
1 1 1 -23 -6  10 o 48.86378 6.418481  616.4675       116.8955 389.0001       
199.7943 734.8623       144.1417 39.65304 11.39462 58.07451 5.911874 -18.42147 
12.83696 
1 1 1 -23 -6  11 o 49.56520 6.313396  592.8495       115.7172 523.6562       
209.2980 623.3123       138.8729 45.88113 10.99309 53.24928 6.211907 -7.368145 
12.62679 
1 1 1 -23 -6  12 o 34.86051 7.180199  303.4150       109.9149 274.5922       
185.3325 319.0533       136.5145 33.37402 11.20193 36.34701 8.985428 -2.972988 
14.36040 
1 1 1 -23 -6  13 o 40.37882 6.858021  417.9574       111.6968 339.4726       
202.6444 452.2085       133.8688 36.07708 11.71328 44.68056 7.136443 -8.603474 
13.71604 
1 1 1 -23 -6  14 o 23.38426 6.679786  88.06678       102.8144 46.08466       
153.1861 122.4816       138.6946 22.11779 9.410299 24.65074 9.482848 -2.532951 
13.35957 
1 1 1 -23 -6  15 o 28.59653 7.037426  201.4065       103.0637 207.9425       
157.4872 196.5105       136.3048 28.96568 10.28657 28.22739 9.606661 0.7382927 
14.07485 
1 1 1 -23 -6  16 o 20.62706 6.354886  9.493819       109.4745 -164.6790      
190.3088 95.63349       133.8352 18.44533 8.812329 22.80879 9.158665 -4.363462 
12.70977 
1 1 1 -23 -6  17 o 20.15663 6.290629  2.321746       106.9481 73.41752       
150.1434 -70.90436      152.3763 22.28728 9.391534 18.02598 8.371807 4.261303 
12.58126 
1 1 1 -23 -6  18 o 25.27351 6.858874  156.8674       105.4025 67.60998       
183.6012 200.7451       128.7287 23.00351 10.05079 27.54351 9.335863 -4.539999 
13.71775 
1 1 1 -23 -6  19 o 29.59383 7.350504  261.4180       114.0129 221.1666       
189.1688 284.3807       142.8797 27.70124 10.97123 31.48643 9.785285 -3.785194 
14.70101 
1 1 1 -23 -6  20 o 25.85540 7.139198  203.1781       122.3254 51.11184       
221.0744 270.2797       146.8549 22.18755 10.21966 29.52325 9.971516 -7.335701 
14.27840 
1 1 1 -23 -5  1  o 64.88039 4.133383  900.9760       111.8674 882.0664       
166.9118 916.3970       150.7315 64.19243 6.193329 65.56835 5.475590 -1.375923 
8.266766 
1 1 1 -23 -5  2  o 84.89703 4.004658  1579.109       137.7995 1357.133       
215.9735 1731.520       178.9595 79.51340 6.469656 90.28065 4.721514 -10.76724 
8.009315 
1 1 1 -23 -5  3  o 24.62028 6.480730  95.29469       92.20090 163.2246       
134.9219 35.77930       126.2893 28.03255 9.557805 21.20801 8.754874 6.824537 
12.96146 
1 1 1 -23 -5  4  o 79.38713 4.356229  1287.988       136.0685 1541.378       
247.2769 1177.942       162.9585 84.46924 6.972780 74.30502 5.223722 10.16422 
8.712459 
1 1 1 -23 -5  5  o 47.60588 5.487082  482.2733       105.3898 629.3062       
167.6181 386.1456       135.5308 53.81391 7.419034 41.39785 8.086421 12.41605 
10.97416 
1 1 1 -23 -5  6  o 57.55197 5.316213  675.7036       119.5722 854.4320       
222.0035 602.6680       141.9156 62.26504 8.492520 52.83890 6.397311 9.426144 
10.63243 
1 1 1 -23 -5  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -23 -5  8  o 93.44208 4.383866  1764.411       150.3703 2164.866       
309.0598 1640.214       172.1158 99.29027 7.414073 87.59389 4.680238 11.69637 
8.767732 
1 1 1 -23 -5  9  o 78.45270 4.416457  1333.898       135.4917 1354.127       
240.1052 1324.447       164.1192 78.38201 7.296360 78.52339 4.978304 
-0.1413803     8.832914 
1 1 1 -23 -5  10 o 89.52924 4.839452  1826.959       168.1285 1584.506       
288.0872 1952.190       207.0449 83.96593 8.172256 95.09254 5.186079 -11.12661 
9.678905 
1 1 1 -23 -5  11 o 26.62391 7.251569  133.6376       111.3003 113.2493       
192.1456 143.9328       136.5397 26.95634 10.91173 26.29147 9.553801 0.6648769 
14.50314 
1 1 1 -23 -5  12 f 22.66738 6.817932  37.66275       108.3392 64.86889       
185.9458 23.68069       133.3025 24.79490 10.44999 20.53986 8.759829 4.255047 
13.63586 
1 1 1 -23 -5  13 o 52.79756 6.138458  690.6610       120.5093 561.2994       
206.5674 757.4039       148.3752 47.11482 10.68651 58.48030 6.043283 -11.36548 
12.27692 
1 1 1 -23 -5  14 o 26.74948 6.603831  161.5547       99.23109 44.38034       
155.9062 241.3472       128.6554 22.24406 9.479633 31.25491 9.196677 -9.010847 
13.20766 
1 1 1 -23 -5  15 o 27.32247 6.826860  148.9605       104.8570 295.9841       
159.7798 37.74182       138.9689 33.70664 10.32220 20.93830 8.937357 12.76835 
13.65372 
1 1 1 -23 -5  16 o 27.22107 7.125632  174.6925       111.2569 109.3824       
162.3006 232.5879       152.8101 24.45591 9.981750 29.98623 10.17169 -5.530315 
14.25126 
1 1 1 -23 -5  17 o 33.73878 7.141985  309.1620       110.4144 261.6679       
159.0521 353.3408       153.4003 31.09247 10.37735 36.38509 9.815415 -5.292612 
14.28397 
1 1 1 -23 -5  18 o 31.34920 7.224359  286.7081       116.1999 161.0931       
205.3817 345.8486       140.9236 26.63764 11.09053 36.06077 9.260976 -9.423130 
14.44872 
1 1 1 -23 -5  19 f 24.60675 7.040792  124.2527       104.3407 225.3065       
191.8859 81.82941       124.3279 28.11942 11.07723 21.09408 8.694018 7.025345 
14.08158 
1 1 1 -23 -5  20 o 30.69829 7.664085  290.8664       118.8975 378.5822       
201.9115 244.3050       147.1076 33.00591 11.65483 28.39068 9.955791 4.615225 
15.32817 
1 1 1 -23 -5  21 o 16.24737 5.668536  -217.3922      132.8311 -264.5818      
226.4157 -192.6265      164.0242 17.16449 8.489305 15.33025 7.514047 1.834243 
11.33707 
1 1 1 -23 -4  1  o 85.33699 3.822475  1366.602       122.1539 1985.540       
250.4109 1173.326       139.9327 96.29900 6.193734 74.37498 4.481396 21.92402 
7.644949 
1 1 1 -23 -4  2  o 49.57307 5.476921  539.9839       107.5799 538.9131       
174.9970 540.6344       136.3981 48.96541 8.835731 50.18074 6.474295 -1.215328 
10.95384 
1 1 1 -23 -4  3  o 42.27499 6.264138  416.9652       107.2922 315.7398       
168.4483 486.0662       139.1760 37.08176 10.40127 47.46822 6.983649 -10.38646 
12.52828 
1 1 1 -23 -4  4  o 111.6354 3.808969  2675.879       171.2387 2609.301       
283.5939 2714.081       214.8208 110.2565 6.126520 113.0144 4.527553 -2.757950 
7.617938 
1 1 1 -23 -4  5  o 70.60623 4.301424  1086.786       122.1809 1012.673       
200.0609 1130.872       154.2985 68.40456 6.966238 72.80790 5.047824 -4.403343 
8.602848 
1 1 1 -23 -4  6  o 59.48202 4.610566  776.6051       110.7101 715.7341       
179.1343 814.2244       140.8247 57.30892 7.445221 61.65512 5.440400 -4.346203 
9.221131 
1 1 1 -23 -4  7  o 43.13007 6.764691  409.8726       109.5658 483.1639       
209.1413 382.1483       128.6301 45.09827 11.10498 41.16187 7.728097 3.936401 
13.52938 
1 1 1 -23 -4  8  o 37.72767 8.734158  328.9793       135.7229 0.000000       
0.000000 328.9793       135.7229 ?        ?        37.72767 8.734158 ? ? 
1 1 1 -23 -4  9  o 90.29582 4.553617  1759.753       150.8143 1813.197       
297.9023 1741.336       174.8807 90.39845 7.849353 90.19319 4.618375 0.2052612 
9.107235 
1 1 1 -23 -4  10 o 52.82785 5.912963  547.7195       119.0090 902.7765       
228.2700 415.1895       139.4623 63.19442 8.603819 42.46128 8.113373 20.73314 
11.82593 
1 1 1 -23 -4  11 o 35.24241 7.686755  291.2557       113.6746 315.9543       
232.0418 283.4566       130.3929 35.95617 12.51376 34.52865 8.930316 1.427517 
15.37351 
1 1 1 -23 -4  12 o 51.72531 6.196768  655.5818       118.1220 543.4202       
208.4513 708.6331       143.3609 46.67601 10.83632 56.77461 6.014474 -10.09861 
12.39354 
1 1 1 -23 -4  13 o 32.86654 7.306006  281.8646       113.2916 154.7014       
225.4500 324.8238       131.0381 29.00150 11.78871 36.73157 8.633499 -7.730066 
14.61201 
1 1 1 -23 -4  14 o 41.17680 6.700002  417.5050       113.4359 478.1836       
168.5763 367.2940       153.3480 44.00147 9.400696 38.35212 9.549191 5.649345 
13.40000 
1 1 1 -23 -4  15 o 57.05881 5.581012  753.6932       127.8865 790.8597       
215.4233 733.4666       158.9202 57.28680 8.956930 56.83082 6.660644 0.4559822 
11.16202 
1 1 1 -23 -4  16 o 76.24925 4.634152  1286.562       144.6033 1520.983       
238.6739 1150.609       181.7606 81.11751 7.008279 71.38099 6.065104 9.736519 
9.268304 
1 1 1 -23 -4  17 o 29.05289 7.067110  208.0266       111.4970 97.51630       
156.3637 322.3396       159.0312 23.58276 9.738832 34.52303 10.24360 -10.94027 
14.13422 
1 1 1 -23 -4  18 o 36.39389 7.536466  372.5279       120.0920 380.4693       
199.5835 368.0207       150.3571 35.75306 11.62463 37.03473 9.594852 -1.281677 
15.07293 
1 1 1 -23 -4  19 o 28.06196 7.279052  167.2194       110.1762 381.9540       
197.5130 70.22024       132.7482 35.10032 11.56418 21.02360 8.843538 14.07672 
14.55810 
1 1 1 -23 -4  20 o 26.23255 7.206314  188.0643       107.1410 229.9274       
196.7905 170.4276       127.7316 27.46657 11.07389 24.99852 9.224575 2.468052 
14.41263 
1 1 1 -23 -4  21 o 22.53234 7.002259  111.8675       127.2249 98.61855       
199.2243 120.9914       165.3264 22.50706 10.10889 22.55762 9.692104 
-0.5056190E-01 14.00452 
1 1 1 -23 -3  1  o 71.89171 4.225109  1100.613       122.2627 1122.946       
205.0600 1088.294       152.2927 72.26803 6.758585 71.51540 5.072248 0.7526321 
8.450217 
1 1 1 -23 -3  2  o 74.89497 4.313056  1242.627       127.6463 1067.006       
211.6429 1343.034       160.0280 70.30537 7.170283 79.48457 4.795505 -9.179199 
8.626113 
1 1 1 -23 -3  3  o 122.5501 4.652398  3233.004       220.6647 3224.856       
397.1716 3236.643       265.3954 121.8555 7.763436 123.2447 5.129160 -1.389168 
9.304796 
1 1 1 -23 -3  4  o 79.31940 4.283061  1350.248       135.6633 1349.475       
230.2044 1350.659       167.9205 79.03256 6.937910 79.60624 5.024326 
-0.5736771     8.566122 
1 1 1 -23 -3  5  o 54.90596 4.987039  678.6993       109.3402 549.2386       
173.1961 764.4865       140.9874 50.06881 8.239330 59.74310 5.621002 -9.674290 
9.974077 
1 1 1 -23 -3  6  o 68.03493 4.259544  986.1785       118.0793 1036.923       
193.6447 956.1426       148.9818 69.22839 6.662579 66.84146 5.308946 2.386932 
8.519088 
1 1 1 -23 -3  7  o 39.18247 6.144692  361.9336       98.78871 275.4521       
157.2745 418.2897       126.9600 34.50143 10.17344 43.86351 6.894209 -9.362083 
12.28938 
1 1 1 -23 -3  8  o 47.90125 5.254851  479.0712       100.0185 581.4258       
178.3311 432.0984       120.8082 51.19296 8.297321 44.60954 6.450449 6.583420 
10.50970 
1 1 1 -23 -3  9  o 47.82545 6.536940  507.2038       121.7123 623.3203       
209.2873 447.8628       149.6145 51.47210 10.04313 44.17880 8.370293 7.293304 
13.07388 
1 1 1 -23 -3  10 o 65.96133 8.165983  976.0591       226.1397 976.0591       
226.1397 0.000000       0.000000 65.96133 8.165983 ?        ?        ? ? 
1 1 1 -23 -3  11 o 24.34432 6.978777  39.41412       106.7651 194.0761       
192.5671 -29.22804      128.2880 30.24134 11.29276 18.44730 8.202856 11.79404 
13.95755 
1 1 1 -23 -3  12 o 38.23786 7.142031  319.0700       110.6451 501.1009       
201.3720 240.3482       132.4263 44.81437 10.81166 31.66134 9.335009 13.15303 
14.28406 
1 1 1 -23 -3  13 f 41.96000 7.080423  408.0235       116.2192 531.3007       
209.7959 353.4436       139.5957 45.65287 11.04901 38.26713 8.857143 7.385735 
14.16085 
1 1 1 -23 -3  14 o 26.39303 7.369198  136.1007       119.5949 85.58876       
202.7368 163.0593       148.1099 25.74296 10.88356 27.04309 9.938229 -1.300129 
14.73840 
1 1 1 -23 -3  15 o 21.58915 6.683829  17.66106       113.9297 24.47844       
176.3361 12.77604       149.2676 22.47504 9.834645 20.70326 9.053951 1.771774 
13.36766 
1 1 1 -23 -3  16 o 29.45136 7.112817  216.7537       112.4156 112.4704       
167.0743 303.0203       151.9580 24.84170 10.13140 34.06102 9.986159 -9.219313 
14.22563 
1 1 1 -23 -3  17 o 32.67406 7.567027  287.4227       118.2680 320.2744       
183.7471 264.1867       154.5332 33.89034 11.15391 31.45778 10.22887 2.432554 
15.13405 
1 1 1 -23 -3  18 o 15.74265 5.386123  -185.2743      108.4908 -142.0081      
156.5635 -225.2411      150.4758 16.67519 7.972920 14.81011 7.243881 1.865088 
10.77225 
1 1 1 -23 -3  19 o 41.03118 6.790290  472.3765       111.5792 403.0429       
201.1216 503.2051       134.1107 36.15893 11.66217 45.90343 6.958879 -9.744503 
13.58058 
1 1 1 -23 -3  20 o 17.01340 5.680628  -104.0596      111.1064 -329.0999      
197.3172 0.4194386      134.4464 15.69533 7.795255 18.33147 8.265117 -2.636141 
11.36126 
1 1 1 -23 -3  21 o 42.39708 7.385427  552.8098       125.8820 585.4252       
218.4818 536.6022       154.0156 40.74485 11.98322 44.04931 8.636008 -3.304466 
14.77085 
1 1 1 -23 -2  1  o 15.02592 5.191874  -252.1413      103.1604 -297.5862      
171.7714 -226.5027      129.0192 16.09297 7.844584 13.95886 6.803287 2.134110 
10.38375 
1 1 1 -23 -2  2  o 39.20835 6.216845  343.7974       100.0169 428.4005       
149.5941 275.4083       134.4977 43.63796 8.467491 34.77873 9.104846 8.859230 
12.43369 
1 1 1 -23 -2  3  o 93.69810 3.958148  1905.698       147.5980 1781.267       
247.7381 1974.170       183.7749 91.00100 6.484369 96.39522 4.541002 -5.394218 
7.916296 
1 1 1 -23 -2  4  o 62.54649 4.499569  814.4673       113.8388 943.3704       
193.6170 746.3627       140.7345 66.04997 6.982196 59.04300 5.677449 7.006969 
8.999138 
1 1 1 -23 -2  5  o 110.7397 3.956200  2610.569       170.5815 2671.329       
305.8853 2583.145       205.5035 111.2580 6.548603 110.2215 4.440932 1.036499 
7.912401 
1 1 1 -23 -2  6  o 69.51273 4.059578  1020.998       111.2929 1087.094       
196.6254 989.8412       134.9995 70.88662 6.606880 68.13882 4.719094 2.747795 
8.119157 
1 1 1 -23 -2  7  o 82.85468 4.104303  1387.423       124.5337 1668.785       
256.0441 1300.240       142.5279 87.56453 6.964783 78.14482 4.344309 9.419708 
8.208607 
1 1 1 -23 -2  8  o 27.57006 6.736970  145.2557       91.88448 225.9427       
156.5119 102.8205       113.5033 31.60346 10.29415 23.53666 8.693531 8.066801 
13.47394 
1 1 1 -23 -2  9  o 30.19985 6.164561  223.6747       89.14825 80.34283       
153.7527 296.2646       109.4182 24.35196 9.800673 36.04774 7.480246 -11.69577 
12.32912 
1 1 1 -23 -2  10 o 26.28117 6.983629  96.60819       87.54753 232.4490       
196.9278 63.14754       97.73703 32.24634 11.49760 20.31600 7.930283 11.93035 
13.96726 
1 1 1 -23 -2  11 o 45.91621 8.506683  491.1837       157.8253 0.000000       
0.000000 491.1837       157.8253 ?        ?        45.91621 8.506683 ? ? 
1 1 1 -23 -2  12 o 74.80129 4.628174  1238.026       137.8522 1242.279       
234.7546 1235.788       170.3080 74.26786 7.528948 75.33472 5.384693 -1.066864 
9.256348 
1 1 1 -23 -2  13 o 54.76840 6.253819  719.1569       127.7105 671.7266       
226.0318 741.3988       154.7850 51.77793 10.75626 57.75888 6.383093 -5.980953 
12.50764 
1 1 1 -23 -2  14 o 28.64695 7.258672  159.0799       114.2819 313.8346       
182.7376 59.67579       146.4563 34.87078 11.10336 22.42312 9.352470 12.44767 
14.51734 
1 1 1 -23 -2  15 o 84.24738 4.615810  1616.449       161.5866 1415.672       
233.5687 1800.751       223.7813 78.66862 7.071869 89.82614 5.933926 -11.15752 
9.231620 
1 1 1 -23 -2  16 o 37.85405 7.105044  369.5476       114.4400 426.2786       
172.9128 325.3288       152.6584 40.34478 10.19772 35.36331 9.896114 4.981472 
14.21009 
1 1 1 -23 -2  17 o 28.54639 7.239772  207.0223       110.4825 226.3429       
159.7209 189.2962       152.9880 29.47251 10.37005 27.62027 10.10540 1.852240 
14.47954 
1 1 1 -23 -2  18 o 45.18173 6.785426  541.2212       124.3276 498.2558       
185.2706 576.4202       167.6923 42.63298 10.42381 47.73048 8.689770 -5.097507 
13.57085 
1 1 1 -23 -2  19 o 47.09270 6.908121  597.2219       122.5705 587.5300       
226.5816 601.2313       145.7349 43.89552 11.96848 50.28989 6.902461 -6.394367 
13.81624 
1 1 1 -23 -2  20 o 24.74907 6.953218  156.9449       108.0650 89.57193       
199.3596 184.9781       128.5969 23.43713 10.34706 26.06100 9.291246 -2.623869 
13.90644 
1 1 1 -23 -2  21 o 18.73953 6.198145  -39.62190      110.6658 61.94503       
197.0626 -86.40765      133.7473 21.79139 9.898770 15.68767 7.462061 6.103719 
12.39629 
1 1 1 -23 -1  1  o 144.1026 4.011273  4425.166       222.5070 4470.493       
405.9873 4405.707       266.0179 144.1164 6.709964 144.0888 4.397458 
0.2758789E-01  8.022547 
1 1 1 -23 -1  2  o 68.03728 3.937965  1010.779       109.9109 841.1274       
164.1642 1148.608       147.9691 62.59373 6.246960 73.48082 4.796432 -10.88708 
7.875929 
1 1 1 -23 -1  3  o 38.59535 6.696434  327.5660       105.8564 419.8325       
172.0787 271.3927       134.2673 42.71788 9.798094 34.47282 9.130511 8.245064 
13.39287 
1 1 1 -23 -1  4  o 106.2883 3.935406  2376.211       168.7877 2568.553       
285.1805 2272.505       209.4039 109.2890 6.215331 103.2875 4.829010 6.001541 
7.870812 
1 1 1 -23 -1  5  o 38.48645 6.270163  370.5263       106.0906 149.1136       
171.0582 508.9295       135.2433 28.44597 10.63923 48.52694 6.638258 -20.08097 
12.54033 
1 1 1 -23 -1  6  o 50.47271 5.674726  615.6067       108.0401 360.6203       
163.2640 814.2637       144.1066 39.34653 9.887361 61.59889 5.572269 -22.25236 
11.34945 
1 1 1 -23 -1  7  o 82.55207 3.749684  1456.384       125.4738 1482.227       
206.8817 1441.347       157.8123 82.90386 5.943856 82.20028 4.572866 0.7035828 
7.499369 
1 1 1 -23 -1  8  o 23.31699 6.479884  82.53776       92.19602 31.94446       
156.4366 109.4624       114.1213 22.70457 9.577765 23.92941 8.730521 -1.224842 
12.95977 
1 1 1 -23 -1  9  f 45.98586 5.612045  465.1336       96.70135 507.3213       
178.5820 447.6315       115.0243 46.56094 9.464672 45.41077 6.033256 1.150166 
11.22409 
1 1 1 -23 -1  10 o 21.96195 6.496786  36.60904       99.74566 67.48235       
152.3712 13.45791       131.9464 23.62439 9.661829 20.29951 8.688037 3.324877 
12.99357 
1 1 1 -23 -1  11 o 33.93701 6.427490  286.4220       99.52399 151.3852       
154.9894 381.1710       129.8265 27.27611 10.14195 40.59791 7.898817 -13.32180 
12.85498 
1 1 1 -23 -1  12 o 83.93906 4.632865  1585.726       154.2151 1475.653       
259.1234 1646.096       191.9004 80.86000 7.632976 87.01811 5.252757 -6.158112 
9.265731 
1 1 1 -23 -1  13 o 21.44639 9.813362  -77.28825      200.1366 -77.28825      
200.1366 0.000000       0.000000 21.44639 9.813362 ?        ?        ? ? 
1 1 1 -23 -1  14 o 24.87641 7.065436  105.2272       114.3958 38.31197       
182.6671 148.4047       146.7327 23.43715 10.13060 26.31567 9.851521 -2.878513 
14.13087 
1 1 1 -23 -1  15 o 57.18290 5.454734  752.5381       129.4122 804.4422       
201.1375 715.8738       169.0493 58.50152 8.189303 55.86428 7.207759 2.637238 
10.90947 
1 1 1 -23 -1  16 o 22.21383 6.648808  38.80036       113.7320 -84.20928      
173.6281 131.2445       150.5186 19.28546 8.948978 25.14219 9.835772 -5.856733 
13.29762 
1 1 1 -23 -1  17 o 21.02049 6.520328  22.67306       110.0956 22.31562       
159.2352 23.00042       152.3877 21.18098 9.306394 20.86000 9.135083 0.3209782 
13.04066 
1 1 1 -23 -1  18 o 48.77857 6.382084  626.2990       123.9540 434.4181       
182.0101 792.2709       169.2766 39.46022 10.71257 58.09693 6.940086 -18.63671 
12.76417 
1 1 1 -23 -1  19 o 23.35134 6.487003  78.32691       113.6038 -182.6417      
186.0263 233.5353       143.4623 17.47996 8.437463 29.22272 9.855661 -11.74277 
12.97401 
1 1 1 -23 -1  20 o 36.45333 7.371839  322.2153       110.5957 617.6386       
215.7711 216.9462       128.8017 44.95278 11.40913 27.95389 9.338511 16.99888 
14.74368 
1 1 1 -23 -1  21 o 31.96707 7.070376  335.3763       109.4120 247.2100       
210.5925 367.9734       128.0505 27.37488 11.30333 36.55927 8.496807 -9.184393 
14.14075 
1 1 1 -23 -1  22 o 19.57274 6.227156  16.61625       116.7113 -190.1902      
202.3455 119.7199       142.8725 17.10893 8.375703 22.03656 9.217239 -4.927626 
12.45431 
1 1 1 -23 0   1  o 86.18240 3.953605  1551.488       130.6089 1677.939       
244.0032 1500.708       154.6257 88.28638 6.582985 84.07844 4.380443 4.207939 
7.907210 
1 1 1 -23 0   2  o 97.24656 3.653438  2031.315       145.8743 1946.174       
228.9711 2089.480       189.2524 95.34447 5.720134 99.14865 4.546484 -3.804184 
7.306876 
1 1 1 -23 0   3  o 37.02429 5.982417  308.8222       96.38646 172.3681       
135.1473 450.0797       137.5054 28.47712 9.565784 45.57146 7.187003 -17.09434 
11.96483 
1 1 1 -23 0   4  o 59.86083 4.043745  749.8820       99.46241 857.4229       
161.6905 684.4167       126.1545 63.14358 6.099251 56.57808 5.310992 6.565495 
8.087490 
1 1 1 -23 0   5  o 33.73732 6.144829  271.5903       106.3148 9.292257       
174.2613 427.1026       134.1794 23.16076 9.950880 44.31387 7.212190 -21.15310 
12.28966 
1 1 1 -23 0   6  o 70.58205 4.310730  1056.918       121.0069 1129.965       
210.3620 1020.794       147.9320 72.09165 6.950298 69.07245 5.101269 3.019203 
8.621461 
1 1 1 -23 0   7  o 85.55723 4.029098  1594.855       133.2844 1526.976       
237.6611 1625.999       160.9832 83.77385 6.757260 87.34061 4.390211 -3.566757 
8.058196 
1 1 1 -23 0   8  o 30.96174 6.939627  217.4229       99.96883 223.8044       
157.1076 213.0812       129.5881 31.43312 10.31373 30.49035 9.287667 0.9427681 
13.87925 
1 1 1 -23 0   9  o 23.69398 6.528311  68.66014       102.2311 -56.80417      
154.3524 166.7089       136.4503 19.60312 8.846217 27.78483 9.603114 -8.181717 
13.05662 
1 1 1 -23 0   10 o 65.57707 4.494609  924.0195       119.3961 1008.292       
200.0239 877.3730       148.8156 67.54444 7.053641 63.60971 5.572449 3.934734 
8.989218 
1 1 1 -23 0   11 o 26.46599 6.850524  137.9467       98.78651 187.6349       
154.4742 103.5654       128.4962 29.00943 10.19920 23.92254 9.148499 5.086887 
13.70105 
1 1 1 -23 0   12 o 38.31377 6.419589  357.6129       101.1316 317.3006       
156.3502 386.6116       132.6079 35.96064 9.999402 40.66690 8.053350 -4.706257 
12.83918 
1 1 1 -23 0   13 o 48.77930 6.730715  564.8750       125.4426 594.5131       
225.3358 551.5652       151.0047 48.16510 11.32187 49.39350 7.281853 -1.228401 
13.46143 
1 1 1 -23 0   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -23 0   15 o 89.48665 5.220312  1856.909       188.3773 1790.534       
307.6080 1896.738       238.2856 86.99981 8.421713 91.97350 6.171010 -4.973686 
10.44062 
1 1 1 -23 0   16 o 32.15034 7.590024  268.5930       119.1763 302.7102       
183.7899 243.8397       156.5497 33.54726 11.15521 30.75342 10.29540 2.793839 
15.18005 
1 1 1 -23 0   17 o 27.33509 7.181967  176.7448       114.6343 93.73989       
167.8890 249.2420       156.9028 23.95820 10.00442 30.71198 10.30700 -6.753778 
14.36393 
1 1 1 -23 0   18 o 19.65617 6.252865  -33.87586      112.5121 -141.1799      
162.2247 65.58023       156.1797 17.07882 8.153904 22.23353 9.481937 -5.154709 
12.50573 
1 1 1 -23 0   19 o 26.77935 7.318001  170.0457       112.9180 252.2200       
189.1220 124.5239       140.7616 29.79209 11.17814 23.76661 9.447840 6.025480 
14.63600 
1 1 1 -23 0   20 o 17.37569 5.830541  -82.29497      103.5982 -96.09560      
196.9713 -77.01738      121.8068 19.22929 9.103477 15.52208 7.287491 3.707214 
11.66108 
1 1 1 -23 0   21 o 19.58622 6.258260  28.87465       104.7822 -43.90344      
204.2573 54.86714       122.0678 19.87325 9.359049 19.29918 8.310925 0.5740700 
12.51652 
1 1 1 -23 0   22 o 20.28141 6.519849  44.76668       118.7158 8.047131       
201.9587 64.15329       146.7456 20.39002 9.534528 20.17279 8.895308 0.2172279 
13.03970 
1 1 1 -23 1   1  o 28.84031 6.145177  183.6871       98.79181 -72.64671      
172.1686 309.5170       120.6265 20.67994 9.336909 37.00068 7.992179 -16.32074 
12.29035 
1 1 1 -23 1   2  o 42.71632 6.311090  394.1156       107.6662 537.7280       
176.1389 308.4487       136.0398 48.71784 8.945926 36.71480 8.904485 12.00304 
12.62218 
1 1 1 -23 1   3  o 56.19172 4.575699  685.4389       107.2017 620.6538       
155.5227 744.0853       147.9711 53.53758 6.919205 58.84587 5.989382 -5.308289 
9.151398 
1 1 1 -23 1   4  o 54.03854 4.493333  638.5118       100.4614 546.3365       
147.0826 719.1196       137.5444 50.18159 6.981327 57.89548 5.658733 -7.713898 
8.986667 
1 1 1 -23 1   5  o 23.97155 6.280006  97.12732       91.51490 -56.45431      
162.0827 169.0012       110.8798 20.33932 9.127055 27.60379 8.628487 -7.264471 
12.56001 
1 1 1 -23 1   6  o 50.21859 5.038604  532.6910       102.6629 618.2725       
173.2509 486.3780       127.4492 53.04636 7.779308 47.39082 6.405660 5.655540 
10.07721 
1 1 1 -23 1   7  o 97.43025 3.633579  2048.573       143.7518 1986.101       
233.0343 2086.949       182.6427 95.94410 5.785257 98.91641 4.397999 -2.972313 
7.267159 
1 1 1 -23 1   8  o 99.87384 3.548371  2122.822       141.2764 2202.158       
242.8054 2082.215       173.7085 100.9339 5.729836 98.81374 4.187210 2.120209 
7.096742 
1 1 1 -23 1   9  o 32.99360 6.496303  256.3781       94.34592 299.3283       
131.3919 210.6623       135.5561 35.74232 8.802539 30.24488 9.556312 5.497438 
12.99261 
1 1 1 -23 1   10 o 35.00307 6.345406  289.0624       93.86034 262.6736       
129.8812 317.9082       135.7932 33.32288 9.050711 36.68327 8.896143 -3.360397 
12.69081 
1 1 1 -23 1   11 o 61.63238 4.306946  835.1677       108.8289 821.9664       
172.4942 843.8973       140.2699 60.92930 6.743250 62.33546 5.359823 -1.406166 
8.613892 
1 1 1 -23 1   12 o 39.49062 6.380377  382.8055       102.7822 324.1552       
160.1145 423.9129       134.0467 36.24768 10.13208 42.73355 7.757431 -6.485870 
12.76075 
1 1 1 -23 1   13 o 20.13678 6.140776  12.26741       91.03484 45.45184       
151.4945 -6.487691      113.8910 22.27417 9.412140 17.99940 7.889750 4.274773 
12.28155 
1 1 1 -23 1   14 o 31.42535 7.362490  238.2418       108.1205 271.0444       
190.8146 222.7296       131.2181 32.70918 11.35122 30.14151 9.379497 2.567665 
14.72498 
1 1 1 -23 1   15 o 80.91367 5.934392  1461.717       201.5938 0.000000       
0.000000 1461.717       201.5938 ?        ?        80.91367 5.934392 ? ? 
1 1 1 -23 1   16 o 41.68954 7.123938  440.0231       123.6894 578.5259       
190.3361 338.7766       162.7354 47.53794 9.866699 35.84115 10.27863 11.69679 
14.24788 
1 1 1 -23 1   17 o 67.97887 4.848667  1074.387       137.5897 1018.868       
201.5370 1122.853       188.2993 65.91965 7.282172 70.03809 6.403768 -4.118446 
9.697333 
1 1 1 -23 1   18 o 25.27115 7.079570  131.8691       116.9452 39.36541       
170.1546 214.6830       160.9962 21.96203 9.635050 28.58027 10.37531 -6.618244 
14.15914 
1 1 1 -23 1   19 o 31.44219 7.350174  283.7089       116.1616 217.2998       
179.2406 331.7989       152.5282 28.30128 10.81020 34.58311 9.961914 -6.281836 
14.70035 
1 1 1 -23 1   20 o 22.89851 6.953034  84.66573       111.3672 151.7461       
203.0613 55.80904       133.1842 25.49038 10.83952 20.30665 8.711122 5.183737 
13.90607 
1 1 1 -23 1   21 o 20.17452 6.316596  47.85888       106.8035 -96.45420      
207.4743 99.88958       124.5780 19.08650 9.138361 21.26254 8.722836 -2.176033 
12.63319 
1 1 1 -23 1   22 o 21.18652 6.711227  71.94983       123.9628 -63.38714      
237.5110 122.6187       145.3270 20.16986 9.686027 22.20318 9.292104 -2.033319 
13.42245 
1 1 1 -23 2   1  o 34.18112 7.041736  255.5109       106.0581 339.2559       
169.7010 201.8365       135.8590 38.20462 10.33162 30.15762 9.570888 8.047003 
14.08347 
1 1 1 -23 2   2  o 66.03800 5.350819  889.5306       134.8302 1103.169       
260.6591 811.4870       157.5442 70.67173 8.785132 61.40428 6.111177 9.267452 
10.70164 
1 1 1 -23 2   3  o 43.91829 7.056333  354.5676       121.2682 751.5297       
235.3736 211.1164       141.4931 57.09627 10.18547 30.74031 9.768495 26.35596 
14.11267 
1 1 1 -23 2   4  o 45.51611 6.304997  480.8958       111.3034 427.5458       
190.1777 508.6901       137.2682 42.60305 10.65048 48.42916 6.751248 -5.826115 
12.60999 
1 1 1 -23 2   5  o 55.67180 5.102580  674.5942       116.8632 686.3499       
185.1065 666.8034       150.6911 55.86464 7.892337 55.47896 6.469643 0.3856773 
10.20516 
1 1 1 -23 2   6  o 32.32662 6.954002  219.4773       109.4170 367.6889       
165.2049 103.6590       146.0395 39.54283 9.951547 25.11041 9.715931 14.43241 
13.90800 
1 1 1 -23 2   7  o 43.42792 6.128776  424.2993       106.7598 510.3676       
166.8842 364.6751       138.9008 47.12027 8.763300 39.73556 8.570424 7.384716 
12.25755 
1 1 1 -23 2   8  o 37.20264 5.859190  339.1995       108.9659 10.89328       
165.2965 591.5184       144.9102 22.39551 9.658059 52.00976 6.636439 -29.61425 
11.71838 
1 1 1 -23 2   9  o 100.4811 4.381259  2179.993       177.2793 2288.074       
298.5665 2121.137       220.3224 101.8671 6.981171 99.09510 5.295751 2.771988 
8.762518 
1 1 1 -23 2   10 o 46.64507 5.785732  507.0191       106.7160 458.5659       
169.9752 538.5447       137.1058 43.84696 9.501221 49.44318 6.604967 -5.596218 
11.57146 
1 1 1 -23 2   11 o 39.45818 6.403000  370.4127       102.5402 380.0310       
161.0355 363.8533       132.9851 39.55925 9.746593 39.35711 8.306477 0.2021484 
12.80600 
1 1 1 -23 2   12 o 16.97214 5.599797  -99.35070      96.79716 -112.9370      
149.1913 -89.47359      127.2059 17.48796 8.184191 16.45632 7.645255 1.031637 
11.19959 
1 1 1 -23 2   13 o 34.38974 6.748523  298.0668       102.6266 232.7637       
157.8114 345.9221       135.0941 30.91186 10.33680 37.86762 8.678758 -6.955757 
13.49705 
1 1 1 -23 2   14 o 41.72073 5.875662  410.2419       96.44003 423.1653       
163.8265 403.3885       119.3015 41.16239 9.639511 42.27907 6.721119 -1.116680 
11.75132 
1 1 1 -23 2   15 o 50.45557 5.556658  605.6681       110.3738 573.1230       
177.6674 626.1226       140.8509 48.21885 9.108640 52.69229 6.366982 -4.473438 
11.11332 
1 1 1 -23 2   16 f 47.77184 7.014946  587.7424       135.6281 568.7250       
200.9330 603.6584       183.8213 46.46787 10.53975 49.07580 9.260218 -2.607933 
14.02989 
1 1 1 -23 2   17 o 27.62391 10.54029  185.3685       170.2533 185.3685       
170.2533 0.000000       0.000000 27.62391 10.54029 ?        ?        ? ? 
1 1 1 -23 2   18 o 20.65667 6.498955  10.94476       113.5704 -11.62405      
163.8055 31.83593       157.5997 20.15933 9.104292 21.15401 9.276721 
-0.9946823     12.99791 
1 1 1 -23 2   19 o 26.20002 7.274347  165.9377       113.9197 204.2603       
185.1204 142.5795       144.5260 27.76551 10.89848 24.63452 9.637821 3.130983 
14.54869 
1 1 1 -23 2   20 o 21.74708 6.762451  33.82252       106.9797 170.3735       
204.3898 -17.70248      125.5512 26.07928 10.97195 17.41487 7.908175 8.664410 
13.52490 
1 1 1 -23 2   21 o 32.07546 7.584848  315.8132       111.9358 388.4512       
215.9364 289.1224       130.8955 32.66098 12.00024 31.48993 9.279761 1.171045 
15.16970 
1 1 1 -23 2   22 o 21.94578 6.862566  93.26933       118.7561 140.3910       
204.4322 69.26905       145.8973 23.57100 10.43275 20.32057 8.918347 3.250423 
13.72513 
1 1 1 -23 3   1  o 75.65997 4.951197  1238.427       146.4399 1257.651       
259.7451 1229.469       177.3046 75.62302 8.181150 75.69691 5.579086 
-0.7388306E-01 9.902394 
1 1 1 -23 3   2  o 24.64124 7.103221  74.80170       111.3572 -46.93861      
221.1971 116.1301       128.8803 24.22790 10.77228 25.05458 9.261806 
-0.8266830     14.20644 
1 1 1 -23 3   3  o 41.73563 7.098697  454.9224       124.6818 217.6687       
230.3376 553.2497       148.2843 33.05058 12.34893 50.42068 7.004992 -17.37011 
14.19739 
1 1 1 -23 3   4  o 71.49557 3.863990  1113.067       114.2864 957.8643       
167.9704 1246.850       155.9490 66.62164 6.005351 76.36952 4.863889 -9.747887 
7.727979 
1 1 1 -23 3   5  o 28.81774 7.150338  166.8300       107.2650 229.9536       
163.8230 119.4601       141.9158 31.94840 10.53184 25.68708 9.674171 6.261320 
14.30068 
1 1 1 -23 3   6  o 49.05111 5.817234  544.1813       116.3976 504.1807       
169.5504 579.8381       160.0796 46.76221 8.955648 51.34002 7.426789 -4.577805 
11.63447 
1 1 1 -23 3   7  o 63.69437 4.807749  915.8600       124.0512 731.1740       
188.1248 1057.948       165.0089 57.41548 7.804375 69.97325 5.616898 -12.55777 
9.615499 
1 1 1 -23 3   8  o 126.6900 4.492423  3505.174       230.6954 3504.118       
378.1176 3505.799       291.1671 126.0228 7.146591 127.3573 5.445522 -1.334534 
8.984846 
1 1 1 -23 3   9  o 118.4284 3.727827  3028.748       181.8328 3055.908       
286.5624 3010.441       235.2613 118.5369 5.758198 118.3198 4.736026 0.2171173 
7.455655 
1 1 1 -23 3   10 o 109.6776 3.842087  2621.329       168.2639 2585.992       
284.2068 2640.401       208.7892 108.5169 6.238182 110.8383 4.486826 -2.321388 
7.684174 
1 1 1 -23 3   11 f 22.42191 6.477166  57.93098       99.80256 -18.50571      
154.4389 112.7407       130.7779 20.47068 9.063238 24.37315 9.255939 -3.902473 
12.95433 
1 1 1 -23 3   12 o 39.91106 6.056311  401.6133       97.95632 274.0986       
158.4483 480.4996       124.6259 33.30059 10.29568 46.52152 6.380804 -13.22092 
12.11262 
1 1 1 -23 3   13 o 33.84312 6.839673  288.9497       102.6656 244.9837       
161.2626 318.9142       133.1307 31.49487 10.44922 36.19137 8.828271 -4.696499 
13.67935 
1 1 1 -23 3   14 o 31.23405 6.995786  242.1290       101.5190 252.0819       
160.6907 235.5177       130.9654 31.62837 10.43067 30.83972 9.325513 0.7886505 
13.99157 
1 1 1 -23 3   15 o 69.02457 4.233149  1088.841       117.9111 971.1402       
188.0223 1165.133       151.3759 65.19912 6.868924 72.85002 4.949350 -7.650902 
8.466297 
1 1 1 -23 3   16 o 28.14629 6.927973  177.1668       102.9420 296.0054       
160.8770 94.77276       133.9564 33.40483 10.38366 22.88775 9.174250 10.51708 
13.85595 
1 1 1 -23 3   17 o 22.28858 6.708321  41.56987       115.6303 -64.73326      
166.8784 139.7402       160.3678 19.13713 8.839095 25.44003 10.09340 -6.302900 
13.41664 
1 1 1 -23 3   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -23 3   19 o 20.79982 6.501693  28.82833       110.6133 41.87490       
169.1393 19.07869       146.2146 21.65871 9.550315 19.94092 8.824937 1.717794 
13.00339 
1 1 1 -23 3   20 o 21.14694 6.677345  11.11374       107.8136 156.1047       
206.3949 -43.29584      126.4347 25.58929 10.90623 16.70460 7.707255 8.884691 
13.35469 
1 1 1 -23 3   21 o 41.46143 7.143377  523.6617       117.6251 503.0112       
226.4234 531.2946       137.6576 36.92260 12.38162 46.00027 7.127890 -9.077663 
14.28675 
1 1 1 -23 3   22 o 21.14410 6.686872  73.53712       115.1255 83.03152       
209.7185 69.44193       137.7340 22.22140 10.12540 20.06681 8.736895 2.154587 
13.37374 
1 1 1 -23 4   1  o 28.20101 7.677203  136.2677       120.2011 146.9009       
219.8114 131.7316       143.5685 29.98876 11.84249 26.41326 9.773083 3.575504 
15.35441 
1 1 1 -23 4   2  o 43.04832 7.451715  369.2339       125.3907 654.6508       
239.8477 261.8865       147.0928 52.46699 11.21604 33.62964 9.813904 18.83735 
14.90343 
1 1 1 -23 4   3  o 34.14153 7.720635  228.7403       121.7842 407.8192       
215.1075 144.2619       147.7427 41.13464 11.82416 27.14841 9.930862 13.98623 
15.44127 
1 1 1 -23 4   4  o 48.21483 5.205130  526.3467       100.0915 409.0747       
144.1950 635.3942       139.0468 42.26055 8.425655 54.16911 6.114068 -11.90856 
10.41026 
1 1 1 -23 4   5  o 58.30898 4.888910  747.6885       118.7051 707.7683       
176.3962 780.7292       160.4792 56.70323 7.409730 59.91474 6.379785 -3.211506 
9.777820 
1 1 1 -23 4   6  o 61.27547 4.743713  793.5828       119.3322 957.5309       
195.3848 696.0417       150.7063 66.02328 7.048791 56.52765 6.350259 9.495636 
9.487426 
1 1 1 -23 4   7  o 48.86470 5.934770  587.9258       111.5462 310.2503       
163.9720 827.1208       152.1868 36.00753 10.31475 61.72187 5.872985 -25.71434 
11.86954 
1 1 1 -23 4   8  o 65.12571 4.183892  956.2715       107.7548 811.1077       
177.1379 1041.541       135.7626 60.61038 6.961224 69.64104 4.643400 -9.030666 
8.367784 
1 1 1 -23 4   9  o 27.38473 6.993662  149.9871       103.7922 216.1453       
157.9935 99.75776       137.6658 30.59781 10.34276 24.17164 9.416610 6.426174 
13.98732 
1 1 1 -23 4   10 o 43.88284 6.224455  464.5006       109.9557 377.3469       
170.8979 526.0640       143.6334 39.18008 10.26605 48.58559 7.041560 -9.405518 
12.44891 
1 1 1 -23 4   11 o 33.72131 6.685359  270.8087       95.70585 298.5885       
159.1957 255.0860       119.7654 34.78551 10.22845 32.65710 8.611327 2.128410 
13.37072 
1 1 1 -23 4   12 o 50.17619 5.586762  559.2424       110.1040 850.0885       
173.5023 363.1429       142.4662 61.62531 6.706054 38.72707 8.937366 22.89824 
11.17352 
1 1 1 -23 4   13 o 28.42125 7.005725  178.5511       102.5820 259.8722       
161.0778 123.0659       133.0524 32.19900 10.44199 24.64350 9.342674 7.555502 
14.01145 
1 1 1 -23 4   14 o 74.08228 4.296027  1172.067       129.1947 1448.863       
219.2892 1024.914       159.8901 80.13941 6.517666 68.02515 5.598521 12.11427 
8.592054 
1 1 1 -23 4   15 o 26.98004 6.505594  166.7289       93.86139 254.0339       
132.8151 79.62074       132.6652 31.68371 9.350958 22.27637 9.047133 9.407341 
13.01119 
1 1 1 -23 4   16 o 28.90453 6.614885  210.0072       104.4585 49.64978       
163.6325 320.3040       135.7083 22.35301 9.624167 35.45606 9.077566 -13.10305 
13.22977 
1 1 1 -23 4   17 o 43.73564 6.175870  500.1606       109.3759 342.3323       
163.7560 627.2809       146.9644 35.46237 10.35684 52.00891 6.730627 -16.54654 
12.35174 
1 1 1 -23 4   18 o 21.34734 6.452581  52.62403       104.7173 -14.93254      
163.6896 99.42587       136.2444 19.99455 9.061657 22.70013 9.188558 -2.705582 
12.90516 
1 1 1 -23 4   19 o 17.24511 8.089566  -83.96924      148.9416 0.000000       
0.000000 -83.96924      148.9416 ?        ?        17.24511 8.089566 ? ? 
1 1 1 -23 4   20 o 52.76911 6.563689  747.9215       122.8355 745.2399       
236.6870 748.9099       143.7031 49.11023 11.64188 56.42799 6.065862 -7.317760 
13.12738 
1 1 1 -23 4   21 o 36.50617 7.693034  400.2881       115.6362 528.5375       
230.8213 357.3151       133.6123 37.58126 12.50129 35.43109 8.969327 2.150166 
15.38607 
1 1 1 -23 4   22 o 47.77980 7.257219  662.4303       127.9859 795.3742       
252.0469 616.2415       148.5645 46.58559 12.58811 48.97401 7.225544 -2.388424 
14.51444 
1 1 1 -23 5   1  o 19.53723 6.393482  -102.1581      119.0823 -232.7045      
216.3785 -45.44004      142.6239 19.88766 9.474745 19.18680 8.586946 0.7008667 
12.78696 
1 1 1 -23 5   2  o 119.9776 4.842525  3022.875       205.6681 3381.330       
436.2200 2920.419       233.2161 123.1515 8.436976 116.8036 4.755798 6.347939 
9.685050 
1 1 1 -23 5   3  o 73.68600 4.967548  1240.047       145.5144 990.3467       
231.0812 1404.126       187.3183 66.68285 8.254135 80.68916 5.529503 -14.00632 
9.935097 
1 1 1 -23 5   4  f 70.35838 4.543032  1104.711       130.4527 924.2995       
197.9233 1243.286       173.4630 64.78967 7.276327 75.92711 5.441657 -11.13744 
9.086064 
1 1 1 -23 5   5  o 77.31107 4.240407  1251.583       135.0327 1639.205       
214.3296 996.4582       173.8821 86.93468 5.872327 67.68745 6.118821 19.24723 
8.480813 
1 1 1 -23 5   6  o 77.77025 4.453011  1335.328       140.0570 1260.409       
227.0516 1381.345       177.9451 75.55072 7.158253 79.98977 5.298739 -4.439049 
8.906022 
1 1 1 -23 5   7  o 24.71911 6.474548  117.6088       90.05327 89.98664       
129.5924 143.4021       125.2287 23.40811 9.132798 26.03012 9.179929 -2.622002 
12.94910 
1 1 1 -23 5   8  o 88.36011 4.211851  1717.049       152.6861 1646.103       
239.7691 1765.444       198.0299 86.41518 6.608823 90.30504 5.223238 -3.889854 
8.423702 
1 1 1 -23 5   9  o 45.28095 5.990236  477.2703       109.2128 461.7376       
170.7211 488.0302       142.0909 43.82402 9.544366 46.73789 7.241326 -2.913868 
11.98047 
1 1 1 -23 5   10 o 53.30421 4.443733  637.3671       97.56265 524.5996       
142.0729 737.9998       134.2113 48.46030 6.983067 58.14812 5.497619 -9.687820 
8.887465 
1 1 1 -23 5   11 o 64.16203 5.027046  945.5217       128.8373 852.3303       
210.7144 1001.162       162.8177 60.83525 8.250115 67.48882 5.746333 -6.653561 
10.05409 
1 1 1 -23 5   12 o 26.68570 6.868073  136.3355       102.5034 246.9231       
158.8820 57.48794       134.1577 31.60907 10.37180 21.76234 9.005967 9.846729 
13.73615 
1 1 1 -23 5   13 o 39.24262 6.417474  366.5376       100.5858 434.1580       
168.2776 328.9465       125.4669 41.57567 9.791125 36.90958 8.298779 4.666092 
12.83495 
1 1 1 -23 5   14 f 16.55114 5.510417  -120.9492      100.4502 -204.2012      
156.5943 -62.74114      130.9395 15.88373 7.680884 17.21856 7.903340 -1.334830 
11.02083 
1 1 1 -23 5   15 o 23.74577 6.734833  90.89236       102.4285 165.4314       
159.3746 38.43737       133.6967 26.89696 10.21689 20.59457 8.777644 6.302391 
13.46967 
1 1 1 -23 5   16 o 23.14377 6.678415  92.28128       103.9719 37.80027       
164.5391 128.4953       134.1483 21.94430 9.551729 24.34325 9.336455 -2.398952 
13.35683 
1 1 1 -23 5   17 o 27.52974 6.898745  191.5011       105.9337 95.69812       
162.6693 262.0486       139.5908 23.64019 9.858099 31.41928 9.653423 -7.779087 
13.79749 
1 1 1 -23 5   18 o 18.62912 5.952690  -38.89016      97.80051 56.73950       
157.3664 -99.07021      124.8366 21.81462 9.415733 15.44362 7.285741 6.370998 
11.90538 
1 1 1 -23 5   19 o 18.65932 5.975626  -41.30535      102.3005 69.63705       
154.4816 -127.9566      136.5260 21.84154 9.376091 15.47710 7.410895 6.364436 
11.95125 
1 1 1 -23 5   20 o 18.38418 5.907918  -35.45786      108.2729 -304.9195      
203.2494 71.30759       127.9370 16.25775 8.041434 20.51062 8.657327 -4.252874 
11.81584 
1 1 1 -23 5   21 o 33.85374 12.40657  445.0658       230.6795 445.0658       
230.6795 0.000000       0.000000 33.85374 12.40657 ?        ?        ? ? 
1 1 1 -23 6   1  o 39.78173 7.248867  368.2233       118.7751 426.8080       
195.6579 334.0350       149.4665 41.95757 10.98032 37.60588 9.466618 4.351688 
14.49773 
1 1 1 -23 6   2  o 54.46189 6.322757  552.2822       128.8406 1090.868       
252.8914 363.4819       149.7296 69.60772 8.653618 39.31607 9.220840 30.29165 
12.64551 
1 1 1 -23 6   3  o 46.60044 5.161086  478.5598       100.7257 498.2145       
148.7646 461.9219       136.8725 47.42570 7.471484 45.77518 7.122088 1.650517 
10.32217 
1 1 1 -23 6   4  o 54.29459 5.282294  639.2599       119.0433 773.6619       
185.0612 544.3895       155.4812 59.05548 7.464079 49.53368 7.476498 9.521801 
10.56459 
1 1 1 -23 6   5  o 31.81968 6.819915  219.5380       95.52132 313.8674       
164.4546 171.5109       117.3452 36.08958 10.32722 27.54979 8.910303 8.539793 
13.63983 
1 1 1 -23 6   6  o 24.97498 6.799743  111.9048       100.0082 87.16984       
159.6253 127.8876       128.3132 24.69240 9.966042 25.25756 9.253325 
-0.5651550     13.59949 
1 1 1 -23 6   7  o 18.13624 5.678001  -22.90909      84.81052 -9.252787      
129.0120 -33.30212      112.5472 19.18249 8.402840 17.08999 7.638786 2.092497 
11.35600 
1 1 1 -23 6   8  o 25.08297 7.005144  99.54684       108.0547 146.5424       
168.9746 67.03370       140.5473 27.38254 10.48536 22.78340 9.292219 4.599136 
14.01029 
1 1 1 -23 6   9  o 23.17618 6.483779  86.73032       93.42581 76.06943       
129.8416 98.17522       134.5312 22.55690 9.036150 23.79546 9.300836 -1.238560 
12.96756 
1 1 1 -23 6   10 o 26.34990 6.934825  145.4546       103.2439 105.9827       
161.7714 172.5805       134.1068 25.18356 10.08710 27.51624 9.519326 -2.332685 
13.86965 
1 1 1 -23 6   11 o 28.12763 6.529719  130.1922       102.5637 350.9555       
160.8575 -21.03907      133.1369 37.43395 10.02995 18.82131 8.363551 18.61264 
13.05944 
1 1 1 -23 6   12 o 35.49644 6.775158  319.9584       104.1286 267.1310       
159.4231 359.2638       137.5142 32.56007 10.37122 38.43282 8.720597 -5.872749 
13.55032 
1 1 1 -23 6   13 o 31.22322 7.090878  247.0485       105.2234 222.0853       
168.6989 262.9446       134.6195 30.03832 10.64855 32.40812 9.366462 -2.369802 
14.18176 
1 1 1 -23 6   14 o 26.37814 6.570205  101.1619       98.04338 318.9655       
164.7181 -18.34112      122.0108 34.86036 10.44178 17.89593 7.977443 16.96443 
13.14041 
1 1 1 -23 6   15 o 72.65720 4.539207  1195.956       131.3702 1223.126       
224.0468 1181.720       162.1742 72.37086 7.373881 72.94354 5.295609 
-0.5726776     9.078413 
1 1 1 -23 6   16 o 20.19418 6.112663  24.30473       97.92024 -103.9872      
162.3831 97.61334       122.7492 17.97309 8.433878 22.41526 8.850328 -4.442175 
12.22533 
1 1 1 -23 6   17 o 43.16039 6.298220  488.7818       109.9006 393.6632       
171.2210 555.4267       143.3202 37.74250 10.45408 48.57828 7.027266 -10.83578 
12.59644 
1 1 1 -23 6   18 o 20.86881 6.221211  6.185519       98.43494 174.7595       
155.9404 -105.4765      126.9159 26.33023 10.07562 15.40739 7.300396 10.92284 
12.44242 
1 1 1 -23 6   19 o 34.63313 6.981173  347.7990       109.6376 272.2507       
166.7159 405.3706       145.5355 30.44024 10.60578 38.82603 9.081001 -8.385786 
13.96235 
1 1 1 -23 6   20 o 68.98497 4.677032  1151.658       128.6938 1156.870       
216.3490 1148.804       160.0985 67.57555 7.625815 70.39440 5.417143 -2.818855 
9.354063 
1 1 1 -23 6   21 o 21.00006 6.658181  21.35015       110.6035 210.6443       
205.6841 -55.65173      131.1846 25.82327 10.94217 16.17685 7.589099 9.646421 
13.31636 
1 1 1 -23 7   1  o 47.33659 7.238937  511.0531       130.6051 616.9443       
240.0022 466.5018       155.6738 49.87098 11.65980 44.80220 8.582424 5.068771 
14.47787 
1 1 1 -23 7   2  o 34.85665 7.688612  287.4911       119.8517 302.2249       
210.2655 280.4001       145.8683 35.43918 11.93166 34.27412 9.700233 1.165054 
15.37722 
1 1 1 -23 7   3  o 18.44713 5.951048  -87.64666      99.21454 2.885145       
161.3375 -142.7027      125.8164 21.73852 9.460189 15.15574 7.222514 6.582780 
11.90210 
1 1 1 -23 7   4  o 21.27293 6.276567  -77.08874      107.2626 167.7443       
163.4955 -262.0988      142.1243 28.34406 10.43921 14.20181 6.971668 14.14226 
12.55313 
1 1 1 -23 7   5  o 43.48124 5.441900  430.3946       96.96312 419.5600       
141.3229 440.0315       133.2832 42.48339 8.216722 44.47909 7.137407 -1.995697 
10.88380 
1 1 1 -23 7   6  o 38.62584 6.719335  353.0571       108.0670 429.5739       
164.1412 294.5135       143.5750 42.29810 9.479279 34.95359 9.525813 7.344513 
13.43867 
1 1 1 -23 7   7  o 71.84467 3.900491  1115.151       116.7954 1208.397       
178.5540 1045.417       154.4110 74.34511 5.720557 69.34422 5.303823 5.000893 
7.800982 
1 1 1 -23 7   8  o 35.84930 6.823156  310.3900       101.8672 322.5400       
171.9561 303.8206       126.4423 35.99847 10.64495 35.70013 8.538559 0.2983437 
13.64631 
1 1 1 -23 7   9  o 59.23996 4.685715  790.2431       113.3793 743.4318       
178.8076 821.7200       146.6245 57.31078 7.431401 61.16915 5.709463 -3.858372 
9.371429 
1 1 1 -23 7   10 o 59.75946 4.756763  801.6528       117.1253 795.6176       
183.1610 805.8282       152.3444 59.18570 7.371186 60.33323 6.014383 -1.147530 
9.513527 
1 1 1 -23 7   11 o 45.35338 5.846008  490.4485       103.6781 465.6196       
171.8410 504.6599       130.0062 43.27671 9.699399 47.43005 6.528774 -4.153339 
11.69202 
1 1 1 -23 7   12 o 36.39772 6.318110  342.6218       107.2154 150.5371       
163.3855 487.8908       142.0868 26.68147 10.28649 46.11396 7.339092 -19.43250 
12.63622 
1 1 1 -23 7   13 o 40.32377 6.495344  390.3445       107.0102 527.3766       
169.2393 299.0641       138.1271 46.22834 9.042451 34.41920 9.326952 11.80914 
12.99069 
1 1 1 -23 7   14 o 35.40533 6.747309  335.7590       106.7040 226.8775       
167.0856 410.7473       138.6624 29.86649 10.59651 40.94418 8.355753 -11.07770 
13.49462 
1 1 1 -23 7   15 o 48.32999 5.994595  531.4658       115.0565 824.2442       
190.5287 363.4146       144.3483 59.00072 7.691732 37.65927 9.196627 21.34145 
11.98919 
1 1 1 -23 7   16 o 25.65804 6.734683  109.7159       105.0628 293.1727       
164.8206 -15.84702      136.3563 32.69629 10.55857 18.61978 8.363043 14.07651 
13.46937 
1 1 1 -23 7   17 o 20.20632 6.321620  16.83971       105.6973 -17.51599      
163.5848 41.46231       138.4874 19.91606 9.039429 20.49658 8.839697 
-0.5805149     12.64324 
1 1 1 -23 7   18 o 58.78669 4.235653  789.0895       103.9080 890.0127       
157.7548 711.7526       138.0959 62.00527 6.060033 55.56811 5.919378 6.437164 
8.471307 
1 1 1 -23 7   19 o 20.38132 6.154930  -28.17627      104.7116 193.0235       
158.1709 -200.7560      139.7105 26.52549 10.14827 14.23715 6.967445 12.28834 
12.30986 
1 1 1 -23 7   20 o 22.06045 6.633785  101.0636       105.7393 105.0236       
169.5892 98.54504       135.2474 22.58753 9.762260 21.53337 8.984802 1.054165 
13.26757 
1 1 1 -23 7   21 o 27.29371 6.903811  238.4755       108.7079 129.7572       
173.5043 308.7340       139.4788 22.92752 9.891301 31.65990 9.633928 -8.732384 
13.80762 
1 1 1 -23 8   1  o 37.48570 7.746285  341.5573       123.0514 358.2962       
223.7641 334.3009       147.3281 37.69902 12.30870 37.27238 9.408279 0.4266396 
15.49257 
1 1 1 -23 8   2  o 43.57542 6.326306  484.3188       110.2007 298.5891       
177.1206 601.6267       140.7641 34.90410 10.90443 52.24675 6.417319 -17.34266 
12.65261 
1 1 1 -23 8   3  o 37.78085 6.981009  342.5847       111.1095 387.6594       
170.6423 309.4096       146.3950 39.78323 10.17537 35.77846 9.560327 4.004776 
13.96202 
1 1 1 -23 8   4  o 46.86335 5.219685  502.3348       98.89502 420.6621       
141.2833 580.7943       138.4763 42.43652 8.223492 51.29019 6.430758 -8.853676 
10.43937 
1 1 1 -23 8   5  o 22.30530 6.645192  41.17061       105.0156 64.32954       
162.0452 24.40126       137.8907 23.71916 9.861781 20.89143 8.909523 2.827728 
13.29038 
1 1 1 -23 8   6  o 45.10121 6.164100  478.9958       111.6936 503.9007       
169.7484 459.9799       148.3270 45.92136 9.128883 44.28107 8.285409 1.640285 
12.32820 
1 1 1 -23 8   7  o 38.25347 6.106572  349.6490       95.59305 352.9969       
140.8630 346.7910       130.1497 38.29016 8.920024 38.21677 8.342305 
0.7338715E-01  12.21314 
1 1 1 -23 8   8  f 53.05088 5.320501  635.7552       117.2434 665.2764       
180.7483 614.3116       154.0483 53.84724 7.995247 52.25452 7.021891 1.592716 
10.64100 
1 1 1 -23 8   9  o 29.74772 6.939850  199.3923       97.24075 276.3972       
164.7868 158.2520       120.4474 33.19086 10.54142 26.30458 9.029091 6.886272 
13.87970 
1 1 1 -23 8   10 o 26.19376 6.922606  146.1567       104.9200 83.07986       
163.1501 190.6393       137.0085 24.07921 9.946132 28.30831 9.631426 -4.229105 
13.84521 
1 1 1 -23 8   11 o 79.64487 4.277287  1393.967       136.0260 1486.938       
233.7541 1346.364       167.2629 80.92905 6.879801 78.36069 5.084197 2.568352 
8.554573 
1 1 1 -23 8   12 o 30.86501 6.547975  238.7695       91.55579 229.2304       
134.3932 247.0307       125.0680 30.25467 9.507879 31.47534 9.005783 -1.220671 
13.09595 
1 1 1 -23 8   13 o 21.83036 6.127454  56.08971       96.85876 -129.2997      
159.8594 163.6275       121.7521 17.46795 8.241891 26.19277 9.069400 -8.724821 
12.25491 
1 1 1 -23 8   14 o 17.07070 5.677559  -107.0484      103.5072 -112.7868      
163.1682 -103.1842      133.8966 17.92312 8.418522 16.21829 7.620183 1.704830 
11.35512 
1 1 1 -23 8   15 o 22.47780 6.103087  41.83896       96.25503 -128.2604      
133.8009 224.2930       138.5749 15.57157 7.427365 29.38403 9.686327 -13.81246 
12.20617 
1 1 1 -23 8   16 o 22.40554 6.645189  65.06322       105.4164 141.9837       
162.5463 9.226375       138.4894 25.33878 10.12706 19.47231 8.606790 5.866465 
13.29038 
1 1 1 -23 8   17 o 34.82895 6.018847  331.4690       108.8220 59.41528       
165.2580 539.7523       144.5980 22.16233 9.608393 47.49557 7.251541 -25.33324 
12.03769 
1 1 1 -23 8   18 o 25.82530 6.878024  164.6351       109.7354 49.74733       
165.2529 255.2550       146.7655 21.57187 9.479362 30.07873 9.968478 -8.506861 
13.75605 
1 1 1 -23 8   19 o 30.05963 7.288780  270.0119       110.3292 284.0807       
169.3805 259.6437       145.4071 30.36739 10.67963 29.75187 9.922239 0.6155148 
14.57756 
1 1 1 -23 8   20 f 29.91811 7.140488  263.9956       101.0517 346.9898       
178.6945 224.9773       122.5242 32.09415 10.99949 27.74206 9.108101 4.352097 
14.28098 
1 1 1 -23 8   21 o 18.79668 5.952072  28.95292       97.72276 -5.447814      
140.7892 60.93528       135.7503 17.88139 8.202397 19.71197 8.627243 -1.830576 
11.90414 
1 1 1 -23 9   1  o 42.58236 6.961782  468.9686       122.7922 324.7956       
205.6839 548.8068       153.0607 35.82733 11.80095 49.33738 7.389393 -13.51005 
13.92356 
1 1 1 -23 9   2  o 29.76648 6.129449  157.9575       111.8860 -149.4790      
165.4451 417.0623       151.8846 17.81165 8.398358 41.72132 8.930182 -23.90968 
12.25890 
1 1 1 -23 9   3  o 22.49965 6.566463  37.83879       108.5170 -93.12473      
165.7029 136.1849       143.5931 19.08830 8.813250 25.91100 9.736549 -6.822697 
13.13293 
1 1 1 -23 9   4  o 43.02573 6.353007  457.3700       111.3653 342.6897       
171.3544 541.2311       146.5315 36.97432 10.52933 49.07714 7.111687 -12.10283 
12.70601 
1 1 1 -23 9   5  o 20.57650 6.370618  0.9167626E-02  105.1679 -46.76998      
163.6513 32.91904       137.2639 20.09760 9.086946 21.05540 8.931211 
-0.9578018     12.74124 
1 1 1 -23 9   6  o 21.35504 6.513436  19.47863       107.1019 -25.55286      
164.1139 52.88503       141.3520 20.68234 9.234882 22.02774 9.187837 -1.345396 
13.02687 
1 1 1 -23 9   7  o 32.70049 6.760520  264.0383       98.70282 274.0135       
136.0135 252.9414       143.4575 33.37958 9.341065 32.02140 9.775634 1.358185 
13.52104 
1 1 1 -23 9   8  o 18.15260 5.926021  -83.90953      105.0219 -47.51661      
156.8002 -113.5185      141.4326 19.51485 8.855311 16.79034 7.877459 2.724510 
11.85204 
1 1 1 -23 9   9  o 29.62104 6.847728  179.3563       106.0343 358.3541       
165.9078 55.75321       137.8662 37.45980 10.25373 21.78227 9.078902 15.67752 
13.69546 
1 1 1 -23 9   10 o 59.39156 4.239295  797.0544       104.0804 690.5289       
153.2506 888.2548       141.7994 55.28557 6.602547 63.49755 5.319102 -8.211987 
8.478589 
1 1 1 -23 9   11 o 38.19321 6.801704  377.4177       109.4253 319.4823       
167.7725 420.3091       144.3555 34.92746 10.55358 41.45898 8.583393 -6.531521 
13.60341 
1 1 1 -23 9   12 o 32.74883 7.100740  281.3659       107.6439 244.1303       
167.5228 307.5518       140.4845 30.78110 10.64032 34.71656 9.405615 -3.935467 
14.20148 
1 1 1 -23 9   13 o 26.63022 5.702751  86.51605       94.32886 372.6080       
141.3840 -142.9954      126.6338 38.44777 8.923345 14.81267 7.103478 23.63510 
11.40550 
1 1 1 -23 9   14 o 59.44304 5.289540  843.6533       127.0512 788.5020       
203.9111 878.6506       162.4353 56.82707 8.546861 62.05900 6.234428 -5.231934 
10.57908 
1 1 1 -23 9   15 o 25.20961 6.740564  100.5355       107.6525 282.2715       
164.9915 -34.18787      142.0569 32.02565 10.56933 18.39357 8.368392 13.63208 
13.48113 
1 1 1 -23 9   16 o 50.13675 5.917373  646.0670       116.2875 509.3934       
176.9457 749.9746       154.2842 43.49373 9.908199 56.77976 6.472157 -13.28603 
11.83475 
1 1 1 -23 9   17 o 23.69831 6.653699  124.6549       98.52912 107.8708       
134.0724 144.3634       145.2844 22.75288 9.154093 24.64373 9.658646 -1.890854 
13.30740 
1 1 1 -23 9   18 o 24.98961 6.756358  151.8504       107.0314 39.34928       
161.0577 240.8307       143.2353 20.89509 9.252734 29.08413 9.847862 -8.189041 
13.51272 
1 1 1 -23 9   19 o 36.70396 6.965382  412.6681       115.1289 292.9171       
171.4908 510.9235       155.3385 30.25422 10.73517 43.15371 8.878187 -12.89949 
13.93076 
1 1 1 -23 9   20 o 17.29083 5.781572  -110.7493      107.8757 68.32231       
173.5459 -223.5075      137.7130 21.16719 9.472746 13.41446 6.631244 7.752736 
11.56314 
1 1 1 -23 10  1  o 22.88913 6.778619  54.30230       111.8334 -21.90388      
175.1823 106.7212       145.2911 21.36628 9.540717 24.41198 9.631896 -3.045702 
13.55724 
1 1 1 -23 10  2  o 24.04182 6.596595  26.62504       109.7383 244.5974       
166.4531 -140.9504      145.9474 31.54297 10.61605 16.54067 7.833251 15.00230 
13.19319 
1 1 1 -23 10  3  o 29.75879 7.276792  211.4074       110.1943 205.0342       
169.8419 216.0404       144.8106 29.61522 10.66582 29.90235 9.901866 
-0.2871380     14.55358 
1 1 1 -23 10  4  o 40.25964 6.863397  396.7502       113.8409 451.5768       
175.5788 356.9846       149.5307 42.49966 9.996486 38.01962 9.407186 4.480038 
13.72679 
1 1 1 -23 10  5  o 44.46221 6.295938  516.7064       114.4477 264.2731       
172.9513 713.3559       152.6500 32.45301 10.82128 56.47141 6.438570 -24.01839 
12.59188 
1 1 1 -23 10  6  o 66.06036 4.117930  953.2124       113.1974 1067.058       
174.8540 871.0750       148.5209 69.29726 6.010082 62.82346 5.631014 6.473801 
8.235861 
1 1 1 -23 10  7  o 25.59890 7.059545  117.4464       108.7015 191.9781       
171.5323 67.42909       140.5191 28.81593 10.67845 22.38187 9.236844 6.434065 
14.11909 
1 1 1 -23 10  8  o 42.02921 6.545761  434.9435       111.6207 461.1646       
170.3060 415.1977       147.7890 42.86799 9.689570 41.19044 8.803418 1.677555 
13.09152 
1 1 1 -23 10  9  o 30.49896 7.092636  218.5623       106.1189 323.2651       
166.1455 146.4168       137.9158 35.25148 10.47236 25.74644 9.568265 9.505043 
14.18527 
1 1 1 -23 10  10 o 52.76587 5.248227  640.8138       114.9337 676.7989       
177.9903 615.0784       150.5224 53.69944 7.894919 51.83230 6.917064 1.867134 
10.49645 
1 1 1 -23 10  11 o 74.52731 4.584060  1279.986       139.1153 1180.129       
219.1845 1347.348       180.0233 71.26172 7.326131 77.79290 5.512007 -6.531181 
9.168120 
1 1 1 -23 10  12 o 16.09993 5.400311  -154.3309      103.2287 -303.3072      
160.7631 -49.81068      134.6567 14.52413 7.176162 17.67573 8.071934 -3.151599 
10.80062 
1 1 1 -23 10  13 o 32.83198 7.185064  281.3969       108.1295 340.9117       
167.9377 239.2526       141.3202 35.40064 10.53114 30.26332 9.777306 5.137320 
14.37013 
1 1 1 -23 10  14 o 68.41479 4.433873  1075.507       125.6331 1065.048       
192.8986 1083.212       165.5620 67.61576 6.795199 69.21381 5.697560 -1.598053 
8.867746 
1 1 1 -23 10  15 o 37.50150 6.237852  366.6234       97.46156 298.7828       
138.9487 432.3252       136.7408 33.41073 9.471051 41.59228 8.120492 -8.181553 
12.47570 
1 1 1 -23 10  16 o 40.80074 6.694377  433.1189       112.0881 562.1931       
174.7177 342.8389       146.1210 46.11383 9.350571 35.48765 9.582566 10.62618 
13.38875 
1 1 1 -23 10  17 o 37.84161 7.066240  405.0269       113.3936 403.3070       
174.0806 406.2946       149.4486 37.04466 10.63320 38.63856 9.309239 -1.593899 
14.13248 
1 1 1 -23 10  18 o 24.38561 6.897680  152.2025       107.7694 126.4407       
160.8005 173.2102       145.2073 23.51770 9.803801 25.25352 9.705537 -1.735823 
13.79536 
1 1 1 -23 10  19 f 30.66825 6.559601  235.4741       111.5872 527.9028       
172.0309 23.06972       146.6149 42.18199 9.877710 19.15451 8.633905 23.02748 
13.11920 
1 1 1 -23 10  20 f 38.06841 6.285733  395.2964       99.88467 600.5939       
159.9230 263.9856       127.8997 46.60794 8.486834 29.52889 9.274450 17.07905 
12.57147 
1 1 1 -23 11  1  o 83.56825 3.944790  1530.116       135.5449 1613.151       
216.6875 1476.740       173.7312 85.02576 6.070220 82.11075 5.039633 2.915009 
7.889580 
1 1 1 -23 11  2  o 58.73140 4.869921  742.5955       116.8071 977.3583       
194.4940 610.1491       146.0870 65.49898 7.072822 51.96383 6.696246 13.53515 
9.739841 
1 1 1 -23 11  3  o 31.91137 6.861365  257.4315       110.2607 112.9209       
167.3348 368.3207       146.5821 25.27531 10.20282 38.54743 9.176922 -13.27211 
13.72273 
1 1 1 -23 11  4  o 58.36304 4.933890  766.6017       119.4752 830.7258       
186.1987 721.7230       155.7707 60.15123 7.373151 56.57486 6.558182 3.576366 
9.867781 
1 1 1 -23 11  5  f 42.09977 6.616120  440.0564       113.2559 449.3412       
171.6422 432.8967       150.7247 42.14322 9.865196 42.05632 8.818734 
0.8689499E-01  13.23224 
1 1 1 -23 11  6  o 29.46746 6.344695  182.7869       112.7335 -100.3440      
171.9626 396.1781       149.2893 18.97598 8.844024 39.95894 9.099662 -20.98296 
12.68939 
1 1 1 -23 11  7  o 23.78801 6.883276  91.58414       108.0623 87.85583       
169.4026 94.14220       140.3192 24.24704 10.08234 23.32897 9.373600 0.9180679 
13.76655 
1 1 1 -23 11  8  o 25.92580 6.627409  126.4429       108.9137 -59.26681      
165.5809 268.0658       144.5972 19.49490 8.922764 32.35670 9.801760 -12.86180 
13.25482 
1 1 1 -23 11  9  o 35.88811 6.765495  326.1085       100.7522 344.0736       
170.0746 316.3950       125.0580 35.99474 10.56838 35.78149 8.449675 0.2132454 
13.53099 
1 1 1 -23 11  10 o 50.64162 5.431189  598.9080       113.5896 630.2527       
178.6401 577.6332       147.1737 51.28946 8.296060 49.99378 7.011893 1.295685 
10.86238 
1 1 1 -23 11  11 o 40.24086 5.816276  401.1605       94.59319 373.2479       
140.2496 424.4543       128.1215 38.45028 8.863611 42.03145 7.533436 -3.581173 
11.63255 
1 1 1 -23 11  12 o 69.05363 4.639242  1078.701       132.3616 1212.005       
210.5357 991.5756       170.2059 72.14122 6.951256 65.96603 6.145754 6.175186 
9.278483 
1 1 1 -23 11  13 o 43.71394 6.307111  514.0803       108.3938 378.8911       
179.3713 591.8467       136.0435 36.75221 10.87338 50.67567 6.394395 -13.92346 
12.61422 
1 1 1 -23 11  14 o 27.56764 7.157867  197.7545       108.7615 184.7661       
167.1643 207.2886       143.2208 27.08188 10.41225 28.05341 9.824730 
-0.9715290     14.31573 
1 1 1 -23 11  15 o 44.73922 6.416379  527.5156       116.2294 473.1682       
180.1007 566.3063       152.1565 41.09179 10.42010 48.38665 7.490074 -7.294861 
12.83276 
1 1 1 -23 11  16 o 22.44001 6.706210  88.50948       108.7215 64.21053       
166.2687 106.6595       143.6996 22.03995 9.597718 22.84007 9.368929 
-0.8001270     13.41242 
1 1 1 -23 11  17 o 25.59177 6.855340  170.1884       108.8761 61.73233       
163.7763 256.0770       145.7444 21.53441 9.450057 29.64914 9.933741 -8.114731 
13.71068 
1 1 1 -23 11  18 o 26.58050 5.610924  118.0515       96.80984 -158.5110      
134.3618 416.6342       139.6084 14.37415 6.992450 38.78685 8.776988 -24.41269 
11.22185 
1 1 1 -23 11  19 o 25.81231 6.875416  201.6949       109.7389 91.23692       
168.6148 282.8625       144.5403 21.68089 9.550992 29.94373 9.892620 -8.262840 
13.75083 
1 1 1 -23 12  1  o 21.14845 6.561102  10.33122       113.5332 -50.57184      
174.2673 55.24295       149.6499 20.19335 9.209008 22.10353 9.348069 -1.910181 
13.12220 
1 1 1 -23 12  2  o 43.84600 6.423111  504.2734       112.4631 359.1906       
182.0365 593.8320       143.0224 36.62667 10.97823 51.06533 6.671126 -14.43866 
12.84622 
1 1 1 -23 12  3  o 33.58045 7.163897  298.3249       112.8856 218.9629       
173.7767 356.2632       148.4800 29.70091 10.77954 37.45998 9.438597 -7.759069 
14.32779 
1 1 1 -23 12  4  o 19.97479 6.231461  -45.39093      106.0660 99.05583       
161.8494 -154.1231      140.4223 24.27667 9.948061 15.67292 7.507363 8.603749 
12.46292 
1 1 1 -23 12  5  o 19.56085 6.183743  -26.75184      107.2596 -116.1546      
165.1095 38.52544       141.0840 18.08701 8.490408 21.03469 8.992646 -2.947683 
12.36749 
1 1 1 -23 12  6  o 22.62489 6.739118  59.18540       107.9320 106.5175       
168.1032 25.98806       140.7829 24.71212 10.13446 20.53767 8.885692 4.174454 
13.47824 
1 1 1 -23 12  7  o 39.04913 6.855920  408.1098       114.9928 287.6555       
174.6263 500.3343       152.7994 32.82919 10.87356 45.26907 8.353459 -12.43988 
13.71184 
1 1 1 -23 12  8  o 44.97969 6.391960  516.4871       115.7409 433.4542       
180.1985 574.7976       151.0079 40.26987 10.53712 49.68951 7.238622 -9.419647 
12.78392 
1 1 1 -23 12  9  o 21.41223 6.323081  24.24564       106.4027 -147.5872      
163.3729 150.8247       140.2193 17.20112 8.205243 25.62334 9.622860 -8.422220 
12.64616 
1 1 1 -23 12  10 o 33.24115 6.980265  268.4270       109.0572 444.8208       
172.8096 151.6786       140.5891 40.90599 10.10782 25.57631 9.629555 15.32968 
13.96053 
1 1 1 -23 12  11 o 49.70461 4.736795  582.2922       95.64938 522.4597       
149.7676 623.5070       124.3014 46.81884 7.619357 52.59037 5.629771 -5.771526 
9.473590 
1 1 1 -23 12  12 o 32.15484 6.642120  274.7444       95.62108 250.3386       
139.2788 296.5044       131.5125 30.63358 9.687409 33.67611 9.089838 -3.042532 
13.28424 
1 1 1 -23 12  13 o 23.77254 6.851762  84.35384       110.9760 213.5107       
171.5778 -8.540409      145.5113 28.35003 10.64508 19.19504 8.629538 9.154989 
13.70352 
1 1 1 -23 12  14 o 36.73013 7.061416  382.3959       112.7854 324.8950       
177.6394 421.2298       145.9847 33.32177 10.96697 40.13848 8.898318 -6.816711 
14.12283 
1 1 1 -23 12  15 o 29.75777 6.869016  249.8737       110.9977 99.03286       
170.7476 360.2694       146.0735 23.32099 9.929029 36.19456 9.494623 -12.87357 
13.73803 
1 1 1 -23 12  16 o 20.05017 6.357220  20.64147       110.4918 -0.4089726E-01 
170.4678 35.62585       145.0981 20.07659 9.142923 20.02376 8.835381 
0.5282211E-01  12.71444 
1 1 1 -23 12  17 o 18.95521 6.049056  -8.551496      107.8416 -130.9851      
162.8212 87.13344       143.9403 16.55057 7.965382 21.35984 9.105878 -4.809277 
12.09811 
1 1 1 -23 12  18 o 18.87943 6.024154  -4.126615      108.4252 -143.1218      
164.6224 102.3630       144.0930 16.19790 7.840156 21.56095 9.148425 -5.363047 
12.04831 
1 1 1 -23 12  19 o 25.69746 7.432596  212.4628       129.1039 244.5395       
171.5108 170.5235       196.1134 27.07474 10.51819 24.32018 10.50436 2.754557 
14.86519 
1 1 1 -23 13  1  o 37.04146 7.122256  369.5765       115.9586 292.5691       
172.4330 433.1540       156.6772 32.89098 10.80506 41.19194 9.282070 -8.300957 
14.24451 
1 1 1 -23 13  2  o 24.81454 6.878673  115.8406       112.0167 3.510804       
168.5001 204.7976       149.9488 21.13569 9.399546 28.49339 10.04555 -7.357700 
13.75735 
1 1 1 -23 13  3  o 35.60174 6.150204  346.5730       105.7429 111.5236       
168.1256 500.4078       136.0134 24.71738 10.13563 46.48610 6.969146 -21.76871 
12.30041 
1 1 1 -23 13  4  o 18.61746 6.044028  -56.45917      108.0916 -107.9387      
168.2565 -20.28330      141.0470 18.31985 8.594515 18.91506 8.500319 
-0.5952053     12.08806 
1 1 1 -23 13  5  f 28.12182 7.177217  198.1917       109.5489 164.3622       
166.7032 223.9049       145.3364 26.76225 10.37530 29.48139 9.919828 -2.719135 
14.35443 
1 1 1 -23 13  6  o 23.77649 6.566271  113.4783       95.16303 148.3070       
140.0431 83.59891       129.7116 25.45934 9.604604 22.09363 8.956297 3.365707 
13.13254 
1 1 1 -23 13  7  o 36.85619 6.340477  343.3268       97.64748 416.6402       
144.6927 282.0121       132.3235 40.68436 8.723128 33.02801 9.204000 7.656349 
12.68095 
1 1 1 -23 13  8  o 17.50810 5.577902  -42.11811      87.60619 32.73827       
132.0165 -101.0212      117.1069 20.05923 8.640649 14.95698 7.056285 5.102245 
11.15580 
1 1 1 -23 13  9  o 23.26449 6.444530  106.9527       92.69259 155.1084       
135.0344 64.04307       127.4669 25.51217 9.470458 21.01681 8.742899 4.495359 
12.88906 
1 1 1 -23 13  10 o 35.48521 6.364891  337.6028       98.57149 230.8016       
146.7666 425.3656       133.0438 29.45184 9.968515 41.51857 7.916819 -12.06673 
12.72978 
1 1 1 -23 13  11 o 32.06570 6.409696  275.6290       96.78255 159.5299       
141.8678 376.6999       132.3678 25.62428 9.666931 38.50714 8.419456 -12.88286 
12.81939 
1 1 1 -23 13  12 o 34.89870 6.499104  316.2843       97.45961 414.6879       
148.1944 241.2897       129.3724 39.76120 9.074193 30.03619 9.306581 9.725010 
12.99821 
1 1 1 -23 13  13 o 36.77061 6.587475  360.0005       101.6933 419.3728       
153.0357 313.0530       136.0841 39.50636 9.358659 34.03487 9.273338 5.471497 
13.17495 
1 1 1 -23 13  14 o 32.43684 6.445259  287.8838       90.60292 279.2892       
144.6612 293.4312       116.2212 31.38244 9.864829 33.49123 8.297626 -2.108786 
12.89052 
1 1 1 -23 13  15 o 15.61165 5.246576  -102.8628      93.90269 -85.21782      
136.0887 -118.8988      129.7358 16.18263 7.626348 15.04067 7.207291 1.141963 
10.49315 
1 1 1 -23 13  16 o 40.16596 6.275973  488.3470       110.7246 255.0922       
170.2955 659.1705       145.7343 28.44759 10.62031 51.88433 6.690316 -23.43674 
12.55195 
1 1 1 -23 13  17 o 25.42573 6.941572  192.9179       104.1202 194.7679       
164.0069 191.6689       134.7601 25.39076 10.16219 25.46070 9.458943 
-0.6994247E-01 13.88314 
1 1 1 -23 13  18 o 21.69383 9.858861  73.23260       195.9591 0.000000       
0.000000 73.23260       195.9591 ?        ?        21.69383 9.858861 ? ? 
1 1 1 -23 14  1  o 23.57325 6.803708  81.73422       115.1923 -47.97446      
169.8694 192.1604       156.7352 19.59696 8.997899 27.54953 10.20782 -7.952572 
13.60742 
1 1 1 -23 14  2  o 28.66810 7.262782  209.4522       110.3095 258.1019       
169.2496 173.5251       145.4450 30.77596 10.68957 26.56024 9.834888 4.215723 
14.52556 
1 1 1 -23 14  3  o 44.14569 6.577643  516.2787       118.3562 411.2991       
183.3758 591.2372       154.9530 38.35086 10.88318 49.94051 7.390399 -11.58965 
13.15529 
1 1 1 -23 14  4  o 17.72686 5.839963  -81.31628      106.7178 -114.9268      
163.2617 -56.24180      141.0143 17.71433 8.349627 17.73940 8.167277 
-0.2506828E-01 11.67993 
1 1 1 -23 14  5  o 19.71051 5.971355  -5.773457      101.3728 -231.9614      
170.3906 118.1518       126.1220 16.02350 7.811127 23.39753 9.034081 -7.374027 
11.94271 
1 1 1 -23 14  6  o 38.53535 6.860250  415.3746       115.8023 274.4950       
178.2563 518.2446       152.3229 31.41068 10.96453 45.66002 8.248107 -14.24933 
13.72050 
1 1 1 -23 14  7  o 47.26780 6.361923  584.8901       120.3918 457.4259       
181.7535 684.5381       160.7027 40.68283 10.55345 53.85277 7.107816 -13.16993 
12.72385 
1 1 1 -23 14  8  o 64.46894 4.971017  966.1025       131.5784 1055.200       
212.2338 910.4761       167.6957 66.20477 7.635656 62.73311 6.367167 3.471664 
9.942035 
1 1 1 -23 14  9  o 18.01977 5.920707  -68.03963      107.9369 -98.53857      
169.1292 -47.08191      140.2001 18.23823 8.567803 17.80131 8.173851 0.4369164 
11.84141 
1 1 1 -23 14  10 o 29.48616 6.630326  225.8491       91.35256 281.8318       
143.7145 187.8925       118.3362 32.05953 9.783812 26.91279 8.951086 5.146742 
13.26065 
1 1 1 -23 14  11 o 47.59313 5.299036  560.7202       101.0949 477.6534       
148.7408 632.0393       137.8223 43.12815 8.517853 52.05811 6.305974 -8.929951 
10.59807 
1 1 1 -23 14  12 f 21.77265 6.498940  79.68688       98.78117 72.75355       
168.4420 83.32124       121.9532 22.40172 9.706178 21.14359 8.644942 1.258133 
12.99788 
1 1 1 -23 14  13 o 47.28366 6.265372  601.4271       118.6900 507.8412       
180.4620 672.7708       157.5644 42.02113 10.29598 52.54619 7.142297 -10.52506 
12.53074 
1 1 1 -23 14  14 o 41.42762 6.868243  498.5871       116.0575 445.6499       
187.5244 531.4516       147.7545 37.65645 11.11041 45.19880 8.077735 -7.542347 
13.73649 
1 1 1 -23 14  15 o 21.50875 6.521085  81.92754       109.6943 -3.680714      
167.9788 145.5773       144.8422 19.41637 8.928692 23.60113 9.506665 -4.184761 
13.04217 
1 1 1 -23 14  16 o 22.92024 6.560774  137.3568       101.9937 60.16563       
166.9300 183.3398       128.8395 20.78239 9.295744 25.05809 9.260895 -4.275698 
13.12155 
1 1 1 -23 14  17 o 26.16984 10.14645  218.7949       159.4371 0.000000       
0.000000 218.7949       159.4371 ?        ?        26.16984 10.14645 ? ? 
1 1 1 -23 15  1  o 27.30994 7.287573  189.0467       114.4183 248.5922       
171.9121 141.6932       153.3054 29.78411 10.73023 24.83577 9.863922 4.948334 
14.57515 
1 1 1 -23 15  2  o 29.84528 7.295146  247.7245       112.2533 210.7048       
170.4041 276.1047       149.2008 28.09496 10.59594 31.59561 10.03009 -3.500650 
14.59029 
1 1 1 -23 15  3  o 27.77133 7.337380  199.6901       113.4947 235.5281       
177.3695 174.8430       147.6877 29.23096 10.85336 26.31170 9.876904 2.919260 
14.67476 
1 1 1 -23 15  4  o 20.04084 6.346775  0.9044880      111.1514 -48.38839      
167.5747 39.62828       148.5269 19.25956 8.881100 20.82213 9.069304 -1.562572 
12.69355 
1 1 1 -23 15  5  o 45.56188 6.446236  552.4806       119.1013 436.0695       
179.0039 644.9529       159.5406 39.27286 10.60678 51.85089 7.328855 -12.57803 
12.89247 
1 1 1 -23 15  6  o 27.74682 7.020985  199.5357       112.4921 79.39725       
169.3602 294.3853       150.4832 22.93510 9.830418 32.55854 10.02695 -9.623440 
14.04197 
1 1 1 -23 15  7  o 81.88829 4.859580  1603.476       164.6296 1452.144       
245.1143 1727.848       222.2100 77.37209 7.545803 86.40450 6.125594 -9.032417 
9.719159 
1 1 1 -23 15  8  o 32.08830 7.302842  295.7341       114.0821 240.4483       
169.4024 341.6152       154.3227 29.23706 10.63988 34.93954 10.00595 -5.702473 
14.60568 
1 1 1 -23 15  9  o 19.97827 6.274464  19.67358       102.0732 33.24330       
169.1395 11.90073       128.0117 21.27720 9.444342 18.67934 8.263170 2.597868 
12.54893 
1 1 1 -23 15  10 o 40.16472 7.169129  447.2710       119.1205 515.7908       
189.1247 402.2134       153.3643 42.15751 10.67056 38.17193 9.577311 3.985584 
14.33826 
1 1 1 -23 15  11 o 35.10806 6.716447  345.4391       101.2953 339.4553       
150.3018 350.4188       137.1116 34.41837 9.880634 35.79773 9.100315 -1.379360 
13.43289 
1 1 1 -23 15  12 o 25.89035 6.984303  182.8180       103.2353 195.9994       
169.5573 175.0532       130.1366 26.38807 10.40722 25.39264 9.317280 0.9954205 
13.96861 
1 1 1 -23 15  13 o 17.09004 5.710156  -85.87673      101.0434 7.293389       
172.2206 -134.7835      124.7761 19.96170 9.121179 14.21837 6.872238 5.743327 
11.42031 
1 1 1 -23 15  14 o 22.57597 6.703469  119.9419       109.5903 64.38613       
170.8719 158.7631       142.8369 21.16173 9.436716 23.99021 9.523359 -2.828484 
13.40694 
1 1 1 -23 15  15 o 43.35710 6.919592  549.7311       120.7296 630.8001       
194.1173 498.5912       154.1758 45.00401 10.46296 41.71019 9.058119 3.293816 
13.83918 
1 1 1 -23 16  1  o 30.95152 7.281985  284.9402       114.0908 219.8929       
172.5405 335.4791       152.0859 27.74907 10.60421 34.15398 9.982985 -6.404919 
14.56397 
1 1 1 -23 16  2  o 31.77921 7.294822  275.8430       115.7636 435.0225       
179.8526 163.2480       151.2630 38.29759 10.74931 25.26082 9.864587 13.03677 
14.58964 
1 1 1 -23 16  3  o 26.73558 7.004802  194.6587       103.8387 173.7760       
170.6896 206.9278       130.8336 25.96289 10.37716 27.50827 9.411884 -1.545378 
14.00960 
1 1 1 -23 16  4  o 23.32975 6.569103  124.0925       96.32020 132.8909       
139.6814 116.1159       132.9988 23.78114 9.424755 22.87836 9.153493 0.9027824 
13.13821 
1 1 1 -23 16  5  o 52.63757 5.856610  724.7059       120.4009 582.8829       
183.6265 831.6608       159.4639 45.93442 9.809685 59.34071 6.400749 -13.40629 
11.71322 
1 1 1 -23 16  6  o 47.28275 6.435620  596.1612       122.1281 576.6683       
192.4407 609.3062       158.0295 44.91439 10.40174 49.65111 7.581067 -4.736713 
12.87124 
1 1 1 -23 16  7  o 36.23063 6.992111  348.4221       108.3793 516.4050       
179.8548 252.6464       135.8055 42.52847 10.19105 29.93279 9.576060 12.59568 
13.98422 
1 1 1 -23 16  8  o 18.85474 6.081034  -32.04898      111.0160 -144.8624      
166.7060 57.84774       148.8137 16.78693 8.074424 20.92255 9.095030 -4.135618 
12.16207 
1 1 1 -23 16  9  o 51.58723 6.088202  697.0726       126.3690 716.5155       
197.5281 683.6014       164.4185 50.82369 9.607408 52.35076 7.480811 -1.527069 
12.17640 
1 1 1 -23 16  10 o 30.30903 7.371422  278.8741       112.1059 318.3094       
175.7802 251.8372       145.5480 31.54189 10.89978 29.07617 9.927047 2.465719 
14.74284 
1 1 1 -23 16  11 o 21.41771 6.506297  73.95313       110.7760 -31.16953      
169.1685 152.8680       146.5719 18.85141 8.780514 23.98400 9.603655 -5.132597 
13.01259 
1 1 1 -23 16  12 o 29.80286 6.873652  268.4644       98.39096 306.4210       
147.9156 238.3414       131.7712 31.40669 9.988492 28.19904 9.445549 3.207653 
13.74730 
1 1 1 -23 16  13 o 19.62584 6.136578  11.08181       111.3272 -178.8297      
172.6941 146.1239       145.6252 15.99871 7.810653 23.25297 9.466997 -7.254265 
12.27316 
1 1 1 -23 16  14 o 30.34229 10.04102  296.1237       148.9093 0.000000       
0.000000 296.1237       148.9093 ?        ?        30.34229 10.04102 ? ? 
1 1 1 -23 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -23 17  2  o 23.02032 7.121686  87.94656       129.8161 211.3511       
205.8951 6.521481       167.2474 26.37943 11.05119 19.66121 8.985807 6.718216 
14.24337 
1 1 1 -23 17  3  o 37.68887 7.055109  408.5800       113.7617 553.4976       
178.8797 310.1617       147.4140 43.38597 10.01597 31.99178 9.938737 11.39420 
14.11022 
1 1 1 -23 17  4  o 18.99380 6.162481  -8.526442      110.3756 22.73477       
168.5044 -32.01966      146.0763 20.18518 9.164969 17.80242 8.240632 2.382759 
12.32496 
1 1 1 -23 17  5  o 25.06162 6.933447  149.2861       111.1615 292.2034       
169.9373 42.39611       146.9653 30.17930 10.68867 19.94395 8.834203 10.23535 
13.86689 
1 1 1 -23 17  6  o 33.02305 6.940615  325.6544       103.2014 300.2268       
141.2029 354.8130       151.2079 31.70363 9.702538 34.34248 9.927200 -2.638847 
13.88123 
1 1 1 -23 17  7  o 20.41139 6.286186  22.41110       112.5297 -156.5585      
169.0021 164.9555       150.8264 16.35641 7.921542 24.46637 9.762873 -8.109959 
12.57237 
1 1 1 -23 17  8  o 20.02864 6.301355  28.08130       112.0135 -86.64916      
168.2054 119.5026       150.1497 17.52853 8.352205 22.52876 9.437635 -5.000221 
12.60271 
1 1 1 -23 17  9  o 20.72733 6.086942  69.30109       91.33740 172.5667       
136.4797 -14.46793      122.9226 24.55964 9.417876 16.89502 7.714080 7.664619 
12.17388 
1 1 1 -23 17  10 o 28.77551 6.910547  263.3039       117.2423 76.23016       
182.5525 394.6376       152.9571 21.62307 9.695104 35.92795 9.850258 -14.30488 
13.82109 
1 1 1 -23 17  11 o 22.82885 6.693225  97.39024       110.7124 262.5213       
170.3099 -23.46131      145.6974 27.98747 10.58193 17.67023 8.198770 10.31725 
13.38645 
1 1 1 -23 17  12 o 23.49464 6.944234  146.8081       112.5065 195.5340       
177.7228 114.2231       145.3356 25.11999 10.37872 21.86930 9.228852 3.250681 
13.88847 
1 1 1 -23 18  1  o 22.42487 6.785782  6.715260       128.3935 325.7113       
197.6821 -226.0356      168.8575 29.76568 11.35761 15.08405 7.429139 14.68163 
13.57156 
1 1 1 -23 18  2  o 21.97437 6.894127  96.64682       127.2915 66.27202       
192.6031 120.2036       169.6149 21.45487 9.756612 22.49386 9.742920 -1.038986 
13.78825 
1 1 1 -23 18  3  f 25.35295 7.483387  194.6131       129.9956 255.5571       
207.6028 155.3047       166.7288 27.03942 11.19727 23.66648 9.931037 3.372931 
14.96677 
1 1 1 -23 18  4  o 17.95325 5.930931  -37.56708      108.4172 22.86397       
170.8826 -78.28131      140.2623 19.80809 9.065434 16.09842 7.649945 3.709677 
11.86186 
1 1 1 -23 18  5  o 20.35456 6.138594  69.45203       96.34475 -8.769745      
137.3733 145.1712       135.1579 17.65432 8.099930 23.05481 9.226076 -5.400492 
12.27719 
1 1 1 -23 18  6  o 23.07557 6.826289  141.2582       111.4331 116.7220       
167.9254 160.5638       148.9550 22.37938 9.693817 23.77177 9.613676 -1.392385 
13.65258 
1 1 1 -23 18  7  o 29.31275 6.979972  235.9037       106.7957 453.4057       
176.0707 109.3099       134.3265 37.13433 10.70520 21.49118 8.959841 15.64315 
13.95994 
1 1 1 -23 18  8  o 23.56279 6.875303  151.8390       114.6046 76.23285       
173.3336 210.5621       152.7597 21.24206 9.487612 25.88351 9.953111 -4.641451 
13.75061 
1 1 1 -22 -30 1  o 17.80253 5.455538  39.31931       75.48001 51.64703       
103.5169 25.32436       110.2949 18.16539 7.732408 17.43967 7.698146 0.7257214 
10.91108 
1 1 1 -22 -29 1  o 15.71507 7.228096  -35.72427      110.1460 0.000000       
0.000000 -35.72427      110.1460 ?        ?        15.71507 7.228096 ? ? 
1 1 1 -22 -29 2  o 22.68404 6.131308  93.18361       94.03735 -53.61039      
129.1975 258.5686       137.1349 16.19142 7.584311 29.17666 9.635869 -12.98524 
12.26262 
1 1 1 -22 -29 3  o 20.67644 5.728551  68.43168       84.01938 203.2765       
118.8559 -66.25658      118.7868 26.22873 8.970717 15.12416 7.126810 11.10456 
11.45710 
1 1 1 -22 -28 1  f 16.36627 5.465047  -109.5964      100.5053 -183.2335      
144.4641 -40.52189      139.9169 14.95805 7.268327 17.77448 8.163235 -2.816436 
10.93009 
1 1 1 -22 -28 2  o 38.29958 8.843118  394.3077       139.4222 0.000000       
0.000000 394.3077       139.4222 ?        ?        38.29958 8.843118 ? ? 
1 1 1 -22 -28 3  o 17.82720 7.869909  20.83517       115.3064 20.83517       
115.3064 0.000000       0.000000 17.82720 7.869909 ?        ?        ? ? 
1 1 1 -22 -28 4  o 19.13850 5.753422  58.17705       82.04224 97.90482       
117.1850 19.98404       114.8992 20.75515 8.478213 17.52185 7.779933 3.233292 
11.50684 
1 1 1 -22 -27 1  o 18.52791 5.877003  -72.85854      103.1378 89.62884       
146.7866 -231.3017      144.9484 22.70150 9.409031 14.35431 7.044628 8.347183 
11.75401 
1 1 1 -22 -27 2  o 27.80100 6.712136  199.8676       92.25651 238.1969       
148.3601 175.7014       117.8029 29.46054 10.02249 26.14147 8.930894 3.319063 
13.42427 
1 1 1 -22 -27 3  o 25.98864 6.445197  177.4596       87.92095 144.9673       
126.3964 207.9192       122.3789 24.20879 9.127057 27.76849 9.102697 -3.559700 
12.89039 
1 1 1 -22 -27 4  o 21.69673 9.510139  67.56808       165.4666 0.000000       
0.000000 67.56808       165.4666 ?        ?        21.69673 9.510139 ? ? 
1 1 1 -22 -27 5  o 26.83204 6.815234  218.0378       99.28366 243.0376       
126.3409 177.6709       160.5414 28.74694 9.240345 24.91714 10.02026 3.829794 
13.63047 
1 1 1 -22 -27 6  o 18.91351 5.973177  6.705741       94.65967 129.5898       
156.8851 -63.64078      118.7012 22.64577 9.574086 15.18125 7.145088 7.464520 
11.94635 
1 1 1 -22 -26 1  o 24.37567 6.388688  112.5118       93.22321 226.0134       
137.6390 16.31511       126.7128 29.54632 9.653562 19.20502 8.370788 10.34130 
12.77738 
1 1 1 -22 -26 2  o 21.03991 6.281425  24.79281       98.94163 144.5516       
150.7472 -65.84104      131.1416 25.24984 9.850322 16.82997 7.797200 8.419870 
12.56285 
1 1 1 -22 -26 3  o 17.04112 5.472908  -30.76052      85.53310 -51.54346      
127.7768 -13.88712      115.1330 16.88717 7.774731 17.19507 7.704834 
-0.3079014     10.94582 
1 1 1 -22 -26 4  o 24.71493 6.345818  152.6004       85.41982 135.0965       
121.1788 169.8880       120.4284 23.76103 8.941304 25.66883 9.007257 -1.907801 
12.69164 
1 1 1 -22 -26 5  o 29.69215 6.223543  244.5799       85.76262 186.2260       
130.3916 289.0722       113.8563 26.22058 9.355084 33.16372 8.210503 -6.943138 
12.44709 
1 1 1 -22 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 -26 7  o 20.05811 6.543324  16.32993       125.2747 5.932226       
158.3700 33.71284       204.7696 18.99082 8.706348 21.12540 9.770357 -2.134584 
13.08665 
1 1 1 -22 -25 1  o 22.13576 6.353874  77.24105       91.87705 103.6104       
137.1665 55.78262       123.7364 23.48653 9.329582 20.78499 8.628195 2.701544 
12.70775 
1 1 1 -22 -25 2  o 22.32258 6.435204  56.29883       105.2047 -90.70319      
161.3516 165.0113       138.7559 18.30157 8.544065 26.34360 9.625297 -8.042032 
12.87041 
1 1 1 -22 -25 3  o 17.24649 5.607296  -121.9863      99.66737 48.58438       
144.3392 -277.4304      137.7906 21.25202 9.091006 13.24097 6.566635 8.011049 
11.21459 
1 1 1 -22 -25 4  f 20.42604 6.067659  54.02608       89.44280 92.37981       
112.6917 -11.26538      147.0335 21.58458 8.493406 19.26751 8.667640 2.317062 
12.13532 
1 1 1 -22 -25 5  o 22.24225 6.185384  95.33228       90.00547 160.5978       
119.9903 11.36495       136.1003 25.25837 8.977963 19.22613 8.510703 6.032232 
12.37077 
1 1 1 -22 -25 6  o 26.95047 6.533519  161.8103       97.20498 42.29360       
126.3128 335.3842       152.2212 19.57888 8.443038 34.32206 9.973093 -14.74319 
13.06704 
1 1 1 -22 -25 7  o 35.11802 7.068352  365.4222       109.9658 413.9023       
156.9082 318.6264       154.1584 37.76129 9.810336 32.47475 10.17859 5.286533 
14.13670 
1 1 1 -22 -25 8  o 31.56732 9.235115  294.8964       130.0965 0.000000       
0.000000 294.8964       130.0965 ?        ?        31.56732 9.235115 ? ? 
1 1 1 -22 -24 1  o 24.08889 6.798382  90.94898       105.0469 31.95043       
140.3779 166.0307       158.3599 20.92514 8.958743 27.25263 10.22805 -6.327490 
13.59676 
1 1 1 -22 -24 2  o 25.20638 6.846603  79.01301       115.3496 265.1138       
169.0320 -83.18513      157.8040 31.97141 10.69797 18.44135 8.547357 13.53007 
13.69321 
1 1 1 -22 -24 3  o 34.34412 6.953688  308.8249       108.2968 381.2068       
151.0551 232.2737       155.3446 38.61958 9.393397 30.06866 10.25569 8.550915 
13.90738 
1 1 1 -22 -24 4  o 51.55927 4.654624  610.9515       100.5638 620.6788       
147.1807 602.4337       137.7269 51.81685 6.765515 51.30170 6.394522 0.5151520 
9.309249 
1 1 1 -22 -24 5  o 46.00060 5.200725  497.3071       99.93848 553.9385       
150.7225 452.8737       133.5069 48.25377 7.439916 43.74743 7.268962 4.506340 
10.40145 
1 1 1 -22 -24 6  o 25.80907 6.346172  166.6798       89.04752 89.55271       
133.4197 228.6345       119.5786 22.10590 9.040952 29.51224 8.908244 -7.406342 
12.69234 
1 1 1 -22 -24 7  o 23.41340 6.549093  123.6361       96.13170 147.7973       
131.4847 95.88872       140.9052 24.47375 9.284788 22.35306 9.238788 2.120691 
13.09819 
1 1 1 -22 -24 8  o 40.59415 6.483303  435.3402       112.7381 658.2948       
175.3077 278.1110       147.2175 50.46793 8.273830 30.72038 9.983817 19.74755 
12.96661 
1 1 1 -22 -24 9  o 24.16736 6.243700  125.6642       95.21198 -19.56289      
129.3740 297.2592       140.6292 17.10673 7.853663 31.22799 9.708508 -14.12126 
12.48740 
1 1 1 -22 -24 10 o 23.19980 6.719715  147.5854       104.3907 140.4456       
152.4510 153.8885       143.2405 22.96592 9.558046 23.43368 9.447857 
-0.4677620     13.43943 
1 1 1 -22 -23 1  o 50.96416 5.751509  550.8181       114.5067 886.7264       
196.6794 378.5778       140.8367 62.33775 7.514996 39.59058 8.708862 22.74718 
11.50302 
1 1 1 -22 -23 2  o 23.12455 6.652605  58.47980       102.6309 161.2888       
161.5945 -11.02736      132.8696 27.21451 10.30234 19.03458 8.419642 8.179934 
13.30521 
1 1 1 -22 -23 3  o 41.83372 6.587388  442.3175       111.2367 406.5711       
175.3069 466.4100       143.9208 39.54655 10.41409 44.12090 8.069790 -4.574345 
13.17478 
1 1 1 -22 -23 4  o 21.36553 6.314822  33.71294       97.26014 131.6302       
147.9323 -40.83797      129.0802 25.09963 9.764853 17.63143 8.009716 7.468204 
12.62964 
1 1 1 -22 -23 5  o 35.81430 6.283617  318.7495       95.17336 236.9566       
127.3047 422.3903       143.3018 30.43013 9.192776 41.19846 8.569028 -10.76834 
12.56723 
1 1 1 -22 -23 6  o 28.53394 6.241753  196.2870       92.71530 328.4665       
131.6713 66.30123       130.5741 35.80834 8.807643 21.25954 8.846657 14.54880 
12.48351 
1 1 1 -22 -23 7  o 18.38142 5.793748  -6.707151      91.79264 30.49980       
121.9060 -55.42400      139.4930 19.21996 8.291429 17.54288 8.094584 1.677076 
11.58750 
1 1 1 -22 -23 8  o 26.65584 7.130654  186.8292       109.0404 182.4763       
166.0074 190.1323       144.6104 26.53264 10.33973 26.77903 9.822165 
-0.2463875     14.26131 
1 1 1 -22 -23 9  o 21.74358 6.012254  33.62278       97.27081 -160.8638      
135.6738 239.3244       139.5307 14.60259 7.079313 28.88457 9.719676 -14.28198 
12.02451 
1 1 1 -22 -23 10 o 20.80693 6.253776  78.07800       96.49503 128.1030       
140.4833 33.39409       132.7721 22.68905 9.277946 18.92481 8.388001 3.764242 
12.50755 
1 1 1 -22 -23 11 o 18.91130 6.075132  19.92805       105.1989 9.066062       
158.3474 28.50995       140.7498 18.98680 8.705017 18.83580 8.476531 0.1509914 
12.15026 
1 1 1 -22 -22 1  o 83.54706 4.398118  1474.159       147.1244 1771.390       
257.5116 1330.120       179.2627 89.05396 6.887548 78.04015 5.471330 11.01381 
8.796236 
1 1 1 -22 -22 2  o 53.01973 5.373717  619.7471       114.7206 715.1304       
196.6336 570.5264       141.2522 55.53061 8.434247 50.50885 6.661143 5.021755 
10.74743 
1 1 1 -22 -22 3  o 27.29805 7.132696  130.2848       114.3001 285.3520       
176.8462 19.03431       149.7914 33.47469 10.94245 21.12140 9.152275 12.35329 
14.26539 
1 1 1 -22 -22 4  o 19.49039 6.046852  -8.471390      97.88360 -86.15869      
147.9915 51.94415       130.5077 17.82197 8.266829 21.15880 8.827073 -3.336824 
12.09370 
1 1 1 -22 -22 5  o 22.76517 6.294632  96.10734       90.28777 141.9681       
111.8716 10.42764       152.9107 24.79306 8.683130 20.73727 9.115526 4.055784 
12.58926 
1 1 1 -22 -22 6  o 67.64394 4.184783  1016.490       117.9188 1156.675       
181.0450 913.2048       155.4016 71.55044 6.026918 63.73744 5.807401 7.812996 
8.369567 
1 1 1 -22 -22 7  o 14.99723 5.037105  -143.2142      89.51689 -46.64183      
124.1529 -247.7805      129.1893 16.94020 7.742147 13.05427 6.445841 3.885924 
10.07421 
1 1 1 -22 -22 8  f 30.53426 6.535507  228.8883       101.0962 395.2571       
150.1131 90.79919       136.7610 38.70366 9.333051 22.36486 9.151261 16.33880 
13.07101 
1 1 1 -22 -22 9  o 28.68749 7.018581  220.8997       101.4550 261.2233       
160.6802 194.1650       130.8339 30.32357 10.42667 27.05142 9.398214 3.272156 
14.03716 
1 1 1 -22 -22 10 o 20.56141 6.024387  66.83346       88.44655 129.4545       
123.8295 1.612508       126.3739 23.11203 8.945848 18.01080 8.071230 5.101223 
12.04877 
1 1 1 -22 -22 11 o 14.76976 5.077759  -153.2072      98.72988 -234.1750      
164.2712 -107.4207      123.5303 14.90695 7.341578 14.63258 7.016822 0.2743645 
10.15552 
1 1 1 -22 -22 12 o 19.47161 6.121545  36.43651       92.66279 117.6528       
167.2500 0.4647136      111.3078 22.36889 9.681580 16.57432 7.494016 5.794575 
12.24309 
1 1 1 -22 -21 1  o 46.66861 7.086945  526.5123       138.7368 355.1100       
194.6606 703.4587       197.7838 37.76843 11.35900 55.56878 8.477756 -17.80035 
14.17389 
1 1 1 -22 -21 2  o 27.57505 7.291929  142.0741       109.8076 226.8881       
187.2561 97.62427       135.5616 31.31690 11.20715 23.83321 9.332130 7.483686 
14.58386 
1 1 1 -22 -21 3  o 59.29848 4.841447  786.6282       115.4772 788.6741       
192.3047 785.4744       144.4130 58.81520 7.787917 59.78176 5.753850 
-0.9665680     9.682895 
1 1 1 -22 -21 4  o 25.87411 6.970417  136.9966       102.6836 125.6040       
171.7505 143.3340       128.0989 26.14066 10.42212 25.60757 9.258848 0.5330830 
13.94083 
1 1 1 -22 -21 5  o 21.95016 6.189053  59.07676       92.85043 -43.71367      
135.9956 148.8289       127.0782 18.17899 8.248149 25.72134 9.229601 -7.542351 
12.37811 
1 1 1 -22 -21 6  o 28.15522 6.773314  188.3283       96.97643 136.7477       
131.8363 249.1436       143.1522 25.01815 9.343559 31.29229 9.808620 -6.274136 
13.54663 
1 1 1 -22 -21 7  o 47.78811 4.914816  522.5092       97.56509 560.7567       
151.0584 495.1344       127.7964 49.02517 7.339168 46.55105 6.538981 2.474113 
9.829632 
1 1 1 -22 -21 8  o 27.03744 6.535716  183.1426       90.76375 140.5400       
133.7382 219.5200       123.5813 24.83260 9.380683 29.24227 9.103026 -4.409666 
13.07143 
1 1 1 -22 -21 9  o 18.77373 5.727641  -24.74812      96.73848 -279.3858      
165.0889 108.4092       119.3820 14.94880 7.362226 22.59866 8.776168 -7.649855 
11.45528 
1 1 1 -22 -21 10 o 24.14644 5.808439  113.1641       92.24840 -121.7845      
145.7756 270.0903       119.1368 16.24979 7.751276 32.04310 8.652721 -15.79331 
11.61688 
1 1 1 -22 -21 11 o 41.53176 5.738962  437.0776       95.66847 526.3439       
148.6964 374.0282       124.9677 45.13488 8.144994 37.92864 8.087138 7.206242 
11.47792 
1 1 1 -22 -21 12 o 24.76671 6.652878  176.8405       99.58540 94.14637       
173.9059 217.1878       121.4742 22.18333 9.736354 27.35008 9.068990 -5.166744 
13.30576 
1 1 1 -22 -21 13 o 37.54536 6.690774  424.0901       102.9674 417.3028       
175.0410 427.6815       127.3276 35.25114 10.80569 39.83958 7.893212 -4.588440 
13.38155 
1 1 1 -22 -20 1  o 44.03251 7.499622  470.9978       137.4991 522.8629       
193.5129 418.1124       195.4071 46.73574 10.14689 41.32927 11.04618 5.406475 
14.99924 
1 1 1 -22 -20 2  o 26.75408 7.250626  127.7791       114.0664 182.8716       
173.0132 85.42025       151.7069 29.29196 10.74357 24.21621 9.739717 5.075750 
14.50125 
1 1 1 -22 -20 3  o 46.17488 6.565907  496.0508       120.4598 573.8907       
194.4342 447.5620       153.4589 48.78524 9.837999 43.56451 8.698177 5.220734 
13.13181 
1 1 1 -22 -20 4  o 44.71764 6.533834  473.7184       115.3125 515.1446       
190.0801 449.5941       145.0531 45.68594 10.17453 43.74934 8.200177 1.936604 
13.06767 
1 1 1 -22 -20 5  o 34.55263 6.354582  205.1108       109.5515 592.2963       
186.5585 1.325590       135.3449 49.38902 9.337378 19.71624 8.621845 29.67278 
12.70916 
1 1 1 -22 -20 6  o 31.33853 6.804102  244.7670       96.77832 232.9924       
159.0558 251.6887       121.9503 30.65893 10.37747 32.01813 8.802915 -1.359203 
13.60820 
1 1 1 -22 -20 7  o 17.27843 5.523536  -34.11626      82.07961 -20.05986      
137.8510 -41.83681      102.1637 18.92282 8.456111 15.63404 7.108587 3.288782 
11.04707 
1 1 1 -22 -20 8  o 28.43489 6.531162  204.3445       90.04415 169.6329       
141.2543 228.1049       116.8672 26.70951 9.716203 30.16026 8.730391 -3.450754 
13.06232 
1 1 1 -22 -20 9  o 16.57695 5.395989  -71.39038      88.23287 -1.232432      
126.8787 -137.0913      122.7824 18.57689 8.221078 14.57701 6.991470 3.999887 
10.79198 
1 1 1 -22 -20 10 o 55.81640 5.378090  717.0460       116.8891 840.4247       
213.8647 664.4901       139.5820 57.89438 8.798805 53.73841 6.186796 4.155968 
10.75618 
1 1 1 -22 -20 11 o 34.96792 6.409287  323.7195       93.18790 339.6399       
150.5550 313.8322       118.6472 34.98704 9.839684 34.94881 8.215623 
0.3823090E-01  12.81857 
1 1 1 -22 -20 12 o 25.21447 6.967190  166.0965       108.0743 127.3470       
158.3156 199.9133       147.8962 23.68452 9.791253 26.74442 9.914551 -3.059904 
13.93438 
1 1 1 -22 -20 13 o 17.76343 5.869453  -46.90960      109.8436 -101.6598      
164.0972 -2.461743      147.8542 17.02494 8.145497 18.50191 8.452976 -1.476965 
11.73891 
1 1 1 -22 -20 14 o 23.83996 6.770090  157.7515       110.3784 56.28403       
169.4640 232.5169       145.4669 20.58482 9.280271 27.09509 9.859669 -6.510267 
13.54018 
1 1 1 -22 -19 1  o 103.9779 5.705960  2396.593       245.6445 2362.833       
321.2477 2444.122       381.1769 103.5666 7.388248 104.3892 8.697455 
-0.8226089     11.41192 
1 1 1 -22 -19 2  o 33.16201 6.590896  249.4186       118.1681 -20.56572      
181.1115 449.5483       155.9310 22.32215 9.857537 44.00186 8.751490 -21.67971 
13.18179 
1 1 1 -22 -19 3  o 73.77231 4.797907  1188.809       142.6161 1242.805       
239.4601 1159.128       177.5376 74.57538 7.648190 72.96925 5.795242 1.606133 
9.595814 
1 1 1 -22 -19 4  o 50.83162 6.290726  633.2156       125.1923 398.1236       
183.3772 838.4404       171.3331 40.09297 10.69396 61.57027 6.628135 -21.47730 
12.58145 
1 1 1 -22 -19 5  o 49.56532 5.837775  522.6125       113.9985 748.7679       
200.6579 414.8290       138.5253 57.07619 8.373795 42.05444 8.136218 15.02174 
11.67555 
1 1 1 -22 -19 6  o 34.83627 7.071123  299.3453       107.2532 322.5310       
169.1725 283.7629       138.6876 35.71393 10.55768 33.95862 9.409485 1.755306 
14.14225 
1 1 1 -22 -19 7  o 38.87504 7.243656  375.2740       117.8511 447.7676       
188.7201 328.9316       150.8892 41.59621 10.73671 36.15387 9.726526 5.442333 
14.48731 
1 1 1 -22 -19 8  o 50.87719 4.545948  587.3662       93.36776 574.1075       
153.0205 595.2302       117.8478 49.89137 7.305420 51.86300 5.412336 -1.971626 
9.091895 
1 1 1 -22 -19 9  o 46.94405 4.789104  510.0139       93.40406 458.4876       
136.7265 555.1031       127.9012 44.34837 7.343385 49.53973 6.149532 -5.191368 
9.578207 
1 1 1 -22 -19 10 o 23.86507 6.706958  107.2157       107.0994 -9.087134      
174.0857 178.0406       135.8505 20.91566 9.418973 26.81449 9.550711 -5.898832 
13.41392 
1 1 1 -22 -19 11 o 34.88284 6.935269  334.8530       108.7464 257.5515       
160.1169 401.0400       148.1594 30.60204 10.41203 39.16364 9.164141 -8.561604 
13.87054 
1 1 1 -22 -19 12 f 23.17995 6.508442  117.9278       95.34567 143.3122       
123.2192 80.04903       150.5196 24.21830 9.035381 22.14160 9.370228 2.076700 
13.01688 
1 1 1 -22 -19 13 o 21.98047 6.679096  83.12361       111.1294 94.19750       
154.4492 71.23641       160.0203 22.28476 9.464211 21.67618 9.427088 0.6085796 
13.35819 
1 1 1 -22 -19 14 o 24.34394 6.785928  158.2599       112.0605 29.31519       
171.1518 255.0147       148.2574 20.17702 9.181314 28.51086 9.994937 -8.333836 
13.57186 
1 1 1 -22 -18 1  o 39.64374 8.326653  385.4689       159.2836 514.4033       
206.6502 196.7408       250.0170 46.58787 10.77214 32.69961 12.70015 13.88826 
16.65331 
1 1 1 -22 -18 2  o 65.35411 5.038133  940.7812       134.9686 914.5046       
213.2763 958.3337       174.3134 64.26830 7.904362 66.43992 6.249175 -2.171623 
10.07627 
1 1 1 -22 -18 3  o 40.64716 6.954598  406.3755       119.6979 282.0416       
181.2648 502.5151       159.3933 34.54278 11.06456 46.75154 8.428595 -12.20876 
13.90920 
1 1 1 -22 -18 4  o 28.86771 7.256595  181.6619       111.3542 140.6821       
173.0983 210.5939       145.4444 27.49531 10.59040 30.24011 9.923512 -2.744801 
14.51319 
1 1 1 -22 -18 5  o 31.92778 7.051509  247.1575       108.1465 166.8635       
169.3167 302.4877       140.5528 28.36037 10.58935 35.49518 9.314546 -7.134806 
14.10302 
1 1 1 -22 -18 6  o 29.34856 7.179835  181.4667       109.1335 289.4641       
171.0363 107.3019       141.7361 34.20162 10.72161 24.49549 9.552335 9.706125 
14.35967 
1 1 1 -22 -18 7  o 53.34923 5.392083  639.8399       119.7975 730.9664       
184.1951 573.0350       157.7102 56.51423 7.763207 50.18423 7.485375 6.330006 
10.78417 
1 1 1 -22 -18 8  o 36.71114 6.995996  353.0558       108.8277 283.7768       
191.8672 385.9160       132.1401 33.23862 11.39713 40.18367 8.116736 -6.945053 
13.99199 
1 1 1 -22 -18 9  o 44.99380 6.053272  487.0624       110.5805 696.1978       
163.8985 312.3185       149.8174 55.07941 7.087722 34.90820 9.814918 20.17121 
12.10654 
1 1 1 -22 -18 10 o 42.07858 6.496478  415.5069       114.4532 653.6585       
184.9151 267.6134       145.7203 52.09110 8.455319 32.06605 9.865315 20.02505 
12.99296 
1 1 1 -22 -18 11 o 29.59889 7.379883  232.7736       114.4616 195.2098       
185.9050 255.7073       145.2592 28.13887 10.94674 31.05891 9.900478 -2.920046 
14.75977 
1 1 1 -22 -18 12 o 24.24391 6.744574  125.4378       102.1172 175.5458       
146.5717 78.17358       142.3518 26.44612 9.856849 22.04170 9.208673 4.404425 
13.48915 
1 1 1 -22 -18 13 f 38.77840 6.292108  400.4256       127.1114 60.53988       
178.3999 750.8983       181.1571 22.43244 9.853422 55.12435 7.827678 -32.69191 
12.58422 
1 1 1 -22 -18 14 o 26.40063 7.323682  193.6375       122.8429 113.5781       
178.8618 265.1193       169.0087 23.42344 10.07316 29.37782 10.63375 -5.954378 
14.64736 
1 1 1 -22 -18 15 o 29.36049 7.126708  275.3944       106.0240 264.7061       
164.0679 283.0582       138.9292 28.41089 10.45808 30.31008 9.684440 -1.899185 
14.25342 
1 1 1 -22 -17 1  o 34.64364 7.891844  248.4910       148.6022 440.9984       
203.5574 28.83190       217.4392 43.16270 11.15536 26.12458 11.16614 17.03812 
15.78369 
1 1 1 -22 -17 2  o 75.09583 5.160368  1202.413       158.5552 1366.974       
260.7630 1105.883       199.7159 78.82569 7.879510 71.36596 6.665653 7.459732 
10.32074 
1 1 1 -22 -17 3  o 45.34863 6.786943  419.1865       127.1717 764.5762       
217.1570 238.9073       156.8888 58.42416 8.853245 32.27310 10.28934 26.15106 
13.57389 
1 1 1 -22 -17 4  o 42.59520 7.132018  431.5770       123.6308 432.5548       
196.7413 430.9389       158.9296 42.24109 10.99038 42.94931 9.092545 
-0.7082253     14.26404 
1 1 1 -22 -17 5  o 26.62500 7.232970  119.2759       110.4519 185.4928       
182.9730 81.31357       138.5414 29.78234 11.03037 23.46767 9.359187 6.314667 
14.46594 
1 1 1 -22 -17 6  o 25.68282 7.029791  101.3137       107.3820 193.6367       
173.4857 43.97528       136.7199 29.70266 10.77147 21.66298 9.035890 8.039677 
14.05958 
1 1 1 -22 -17 7  o 82.41090 4.745671  1508.449       148.6428 1517.779       
275.1410 1504.604       176.6382 81.57410 8.033858 83.24771 5.053979 -1.673615 
9.491343 
1 1 1 -22 -17 8  o 54.71474 5.561975  616.3512       117.1187 1043.826       
205.8304 411.6842       142.4223 67.90247 7.220131 41.52701 8.462384 26.37545 
11.12395 
1 1 1 -22 -17 9  o 30.58743 7.015609  218.6864       101.1125 300.4049       
165.5711 170.0845       127.6883 34.22057 10.51331 26.95428 9.292218 7.266291 
14.03122 
1 1 1 -22 -17 10 o 23.00556 6.851708  56.07254       114.0846 121.8758       
168.1615 -0.4017703E-01 155.2865 25.43660 10.24447 20.57452 9.101337 4.862080 
13.70342 
1 1 1 -22 -17 11 o 44.60757 6.709164  520.7003       123.6929 380.8840       
184.4787 634.8967       166.7223 37.30799 11.02370 51.90714 7.650462 -14.59915 
13.41833 
1 1 1 -22 -17 12 o 74.33934 4.772007  1298.947       142.3420 1215.250       
232.4761 1349.142       180.0349 71.23158 7.773681 77.44711 5.536975 -6.215523 
9.544015 
1 1 1 -22 -17 13 o 58.91723 4.873832  808.4095       119.7345 727.5386       
158.4943 915.9192       182.7433 55.62834 6.786385 62.20612 6.997280 -6.577785 
9.747663 
1 1 1 -22 -17 14 o 37.07964 7.011119  373.4422       110.2142 476.4371       
175.0733 305.8282       141.8503 41.04266 10.19357 33.11663 9.628830 7.926029 
14.02224 
1 1 1 -22 -17 15 o 33.21749 7.311017  329.6392       113.7265 434.7682       
174.7714 252.4325       149.7739 37.52850 10.61676 28.90648 10.05427 8.622026 
14.62203 
1 1 1 -22 -17 16 o 19.37337 6.261996  14.94999       107.3468 70.84888       
185.8424 -13.03907      131.5035 21.47420 9.697783 17.27253 7.924859 4.201670 
12.52399 
1 1 1 -22 -16 1  o 29.54604 8.120198  143.7994       146.1028 206.8229       
177.6854 12.24362       256.7176 31.37240 10.94736 27.71969 11.99607 3.652710 
16.24040 
1 1 1 -22 -16 2  o 134.9039 5.550235  3997.214       305.4946 3924.438       
490.1866 4043.431       390.6352 133.2109 8.764813 136.5968 6.811643 -3.385880 
11.10047 
1 1 1 -22 -16 3  o 21.86412 6.635783  2.794548       111.7649 -114.3240      
187.5854 67.25153       139.1621 20.53814 9.440699 23.19010 9.327790 -2.651962 
13.27157 
1 1 1 -22 -16 4  o 34.15931 7.444736  250.7696       118.8874 385.0612       
188.7066 162.3867       153.0899 40.13220 10.91360 28.18641 10.12866 11.94580 
14.88947 
1 1 1 -22 -16 5  f 72.59115 5.097359  1108.818       142.6105 1295.939       
267.5815 1034.580       168.5425 76.07759 8.377615 69.10471 5.809289 6.972885 
10.19472 
1 1 1 -22 -16 6  o 44.39614 6.350082  412.8587       107.0118 616.8564       
199.9027 330.9183       126.6937 51.07920 9.673163 37.71309 8.229465 13.36611 
12.70016 
1 1 1 -22 -16 7  o 80.35605 4.428813  1451.373       137.1989 1331.030       
242.0708 1508.326       166.5287 77.07176 7.481149 83.64033 4.742359 -6.568565 
8.857627 
1 1 1 -22 -16 8  o 49.18553 6.104342  575.5110       112.3817 539.1259       
200.2836 592.2312       135.7694 46.60753 10.48914 51.76353 6.247396 -5.155998 
12.20868 
1 1 1 -22 -16 9  o 25.89800 6.906726  99.23859       106.9612 253.6258       
170.9492 -0.8691914E-01 137.1172 32.01409 10.75847 19.78191 8.664113 12.23218 
13.81345 
1 1 1 -22 -16 10 o 30.61089 6.855551  194.2419       107.5498 393.6699       
169.9795 61.10299       138.8852 39.21451 10.22148 22.00727 9.138691 17.20724 
13.71110 
1 1 1 -22 -16 11 o 23.72689 6.276322  77.68765       97.90195 -77.25174      
139.4580 228.2452       137.4719 17.37075 8.045015 30.08304 9.635695 -12.71229 
12.55264 
1 1 1 -22 -16 12 o 55.41549 5.043080  715.6734       116.4700 704.6210       
174.2038 724.6074       156.6222 54.66767 7.590113 56.16331 6.642349 -1.495636 
10.08616 
1 1 1 -22 -16 13 o 40.64182 6.436496  425.7833       107.0665 432.8761       
152.7741 418.9374       150.0913 40.97049 9.119653 40.31315 9.085476 0.6573372 
12.87299 
1 1 1 -22 -16 14 o 28.42945 7.335082  219.8853       114.8562 181.4287       
179.3378 246.6283       149.5518 26.91347 10.67504 29.94544 10.06266 -3.031979 
14.67016 
1 1 1 -22 -16 15 o 43.28264 6.651597  509.4911       115.5280 516.8033       
183.4449 504.6848       148.7265 42.39809 10.37601 44.16718 8.325468 -1.769089 
13.30319 
1 1 1 -22 -16 16 o 22.66661 6.685907  73.96661       113.4458 250.8223       
172.3536 -61.22894      150.6926 28.07179 10.63600 17.26143 8.104383 10.81036 
13.37181 
1 1 1 -22 -16 17 o 24.90192 7.166321  189.3320       118.3470 163.6774       
177.0464 210.0546       159.1210 24.00293 10.16040 25.80091 10.10895 -1.797979 
14.33264 
1 1 1 -22 -15 1  o 95.60708 6.418789  1992.440       255.9726 2336.864       
381.7831 1711.180       345.0043 103.1665 8.814527 88.04763 9.333142 15.11890 
12.83758 
1 1 1 -22 -15 2  o 69.53181 5.058382  1075.372       143.4344 873.4807       
215.4168 1236.172       192.2483 63.19729 8.118993 75.86633 6.035797 -12.66904 
10.11676 
1 1 1 -22 -15 3  o 55.90120 5.676605  650.4941       129.6513 855.1846       
215.4751 534.3318       162.3233 62.38464 8.226981 49.41776 7.823819 12.96688 
11.35321 
1 1 1 -22 -15 4  o 118.0572 4.674080  3011.725       220.5888 3059.571       
374.6358 2986.334       272.9140 118.1945 7.549756 117.9198 5.512648 0.2747726 
9.348160 
1 1 1 -22 -15 5  o 46.79854 5.841598  487.4997       106.9220 514.0894       
181.4061 473.3451       132.3560 47.00888 9.523988 46.58821 6.766883 0.4206696 
11.68320 
1 1 1 -22 -15 6  o 52.53445 5.413905  592.9870       112.0341 667.8705       
200.3186 558.9025       135.1470 54.43979 8.764476 50.62911 6.358099 3.810677 
10.82781 
1 1 1 -22 -15 7  o 35.55301 6.510863  325.1746       106.6156 130.8322       
186.7396 419.1583       129.8611 27.59704 10.90984 43.50897 7.109207 -15.91193 
13.02173 
1 1 1 -22 -15 8  o 30.65008 7.390417  214.6424       111.6773 238.3766       
181.4939 200.1806       141.6730 31.89256 11.07025 29.40760 9.794007 2.484959 
14.78083 
1 1 1 -22 -15 9  o 32.28608 6.804120  261.0576       110.5076 91.48777       
176.3168 370.7635       141.8190 25.25038 10.37115 39.32178 8.810410 -14.07141 
13.60824 
1 1 1 -22 -15 10 o 39.75156 6.525649  411.9949       111.5293 243.6879       
177.2698 522.2632       143.4859 31.48674 10.93958 48.01638 7.117717 -16.52965 
13.05130 
1 1 1 -22 -15 11 o 41.66432 6.013459  422.0536       97.73199 398.3109       
168.1412 434.1679       120.1044 39.45387 10.10608 43.87477 6.520263 -4.420902 
12.02692 
1 1 1 -22 -15 12 o 52.49825 4.804626  627.2067       101.4320 644.2487       
169.7528 617.7432       126.4978 52.41916 7.713438 52.57734 5.730671 
-0.1581764     9.609252 
1 1 1 -22 -15 13 o 52.63280 5.683351  678.7133       114.9099 627.1257       
191.7049 707.6423       143.5581 49.45996 9.573809 55.80565 6.127322 -6.345688 
11.36670 
1 1 1 -22 -15 14 o 17.47740 5.710598  -78.64119      101.1663 -164.0046      
144.2189 4.056943       141.9496 15.47372 7.459208 19.48108 8.648928 -4.007360 
11.42120 
1 1 1 -22 -15 15 o 31.68988 6.748637  277.3929       116.1010 63.27426       
175.7416 443.2126       154.6555 22.54565 9.842170 40.83410 9.236238 -18.28845 
13.49727 
1 1 1 -22 -15 16 o 34.18659 7.563319  355.4177       120.0040 359.9020       
183.5218 352.0681       158.6126 33.81847 11.14707 34.55471 10.22536 
-0.7362328     15.12664 
1 1 1 -22 -15 17 o 23.29535 6.828132  139.4913       112.0641 80.12866       
175.9481 180.0088       145.3615 21.70079 9.632433 24.88990 9.680380 -3.189110 
13.65626 
1 1 1 -22 -14 1  o 136.6971 6.553185  4107.702       376.0188 4214.904       
534.1934 4002.423       529.3810 138.5190 9.185654 134.8751 9.348836 3.643906 
13.10637 
1 1 1 -22 -14 2  o 118.3981 5.417025  3041.611       253.3489 3050.526       
439.2290 3037.166       310.1410 117.8518 8.877198 118.9445 6.210634 -1.092720 
10.83405 
1 1 1 -22 -14 3  o 42.97610 7.211863  427.7112       122.1521 420.6595       
215.6380 431.0432       148.2278 42.24487 11.74205 43.70734 8.376643 -1.462463 
14.42373 
1 1 1 -22 -14 4  f 107.0769 5.364213  2543.596       210.6420 2412.595       
407.0400 2591.510       246.1676 104.1220 9.311417 110.0319 5.328849 -5.909897 
10.72843 
1 1 1 -22 -14 5  o 26.44678 7.011028  112.2431       104.2770 194.0235       
169.3548 62.30549       132.3386 30.32104 10.67725 22.57253 9.089251 7.748512 
14.02206 
1 1 1 -22 -14 6  f 74.94840 4.699547  1204.215       133.1971 1270.775       
252.4131 1178.527       156.8069 75.77573 7.934195 74.12108 5.039001 1.654648 
9.399095 
1 1 1 -22 -14 7  o 39.83593 6.431597  428.2496       112.0623 143.2478       
193.8704 571.2522       137.3282 28.51678 11.16131 51.15509 6.394286 -22.63831 
12.86319 
1 1 1 -22 -14 8  o 38.35588 6.814387  344.1469       111.4185 471.0533       
167.6407 243.7328       149.1197 44.62574 9.257924 32.08602 10.00172 12.53972 
13.62877 
1 1 1 -22 -14 9  o 75.33590 4.664524  1225.517       135.6138 1337.389       
249.9272 1178.834       161.4483 76.98245 7.732908 73.68935 5.218551 3.293106 
9.329048 
1 1 1 -22 -14 10 o 30.52925 7.067282  215.3024       98.01448 246.6737       
181.3749 202.3621       116.4883 31.91591 11.06775 29.14258 8.791524 2.773331 
14.13456 
1 1 1 -22 -14 11 o 28.88062 6.884096  203.3546       97.47764 150.8386       
177.7035 225.9577       116.5828 27.26733 10.68305 30.49392 8.685368 -3.226589 
13.76819 
1 1 1 -22 -14 12 o 50.22231 5.339617  600.7602       103.2062 545.6065       
171.4085 632.1266       129.2638 47.15419 8.981379 53.29042 5.777620 -6.136227 
10.67923 
1 1 1 -22 -14 13 o 32.50920 6.977943  259.2778       99.95518 340.8398       
169.6657 215.9220       123.7011 35.72247 10.57669 29.29593 9.104968 6.426538 
13.95589 
1 1 1 -22 -14 14 o 22.68135 6.573763  89.60986       98.69649 39.07256       
171.9385 114.4452       120.5321 22.21043 9.715109 23.15227 8.858561 
-0.9418411     13.14753 
1 1 1 -22 -14 15 o 30.50956 7.219372  259.7296       122.8244 84.43605       
198.2617 368.9057       156.4658 24.19345 10.50709 36.82567 9.903450 -12.63222 
14.43874 
1 1 1 -22 -14 16 o 30.06855 7.526539  261.2423       118.4440 261.3712       
179.8690 261.1437       157.3840 29.91411 10.95605 30.22299 10.32279 
-0.3088837     15.05308 
1 1 1 -22 -14 17 o 20.82422 6.517261  49.84539       113.5974 2.065930       
178.6675 82.26589       147.1752 20.20960 9.257721 21.43884 9.175694 -1.229233 
13.03452 
1 1 1 -22 -14 18 o 20.07391 6.452758  -4.512940      121.4952 155.0938       
183.7859 -128.4058      161.9235 23.87934 10.23802 16.26849 7.857187 7.610849 
12.90552 
1 1 1 -22 -13 1  o 106.8545 6.466194  2494.094       288.9730 2438.508       
390.2375 2561.580       429.9871 105.7047 8.793381 108.0042 9.482780 -2.299576 
12.93239 
1 1 1 -22 -13 2  o 131.0453 4.989618  3505.028       249.9197 4194.388       
478.9400 3247.083       292.9696 138.8000 8.218880 123.2906 5.659964 15.50941 
9.979237 
1 1 1 -22 -13 3  o 35.72177 7.733246  287.6174       122.2612 286.4996       
213.6673 288.1616       149.0787 35.96436 12.02779 35.47917 9.723405 0.4851913 
15.46649 
1 1 1 -22 -13 4  o 59.20680 5.314045  709.4225       123.4737 916.5280       
228.0901 623.5731       146.8517 64.63309 8.405673 53.78051 6.503920 10.85258 
10.62809 
1 1 1 -22 -13 5  o 104.3527 4.435725  2319.244       180.4283 2430.785       
324.5085 2269.332       217.0751 105.6393 7.316808 103.0661 5.016665 2.573189 
8.871449 
1 1 1 -22 -13 6  o 94.49017 4.459784  1912.341       171.7917 2017.275       
281.4661 1850.043       216.8718 96.22001 6.967576 92.76033 5.568804 3.459679 
8.919568 
1 1 1 -22 -13 7  o 32.51595 7.060256  254.9250       111.0455 123.2766       
189.8626 323.3735       136.9031 27.75139 10.99125 37.28052 8.864604 -9.529127 
14.12051 
1 1 1 -22 -13 8  o 42.11187 6.599138  353.5936       103.0408 592.1227       
207.2280 275.2491       118.7631 49.83146 10.25650 34.39229 8.306545 15.43916 
13.19828 
1 1 1 -22 -13 9  f 20.26944 6.156585  16.33048       86.67680 24.79585       
161.3635 12.89738       102.7603 22.41850 9.601812 18.12037 7.708395 4.298128 
12.31317 
1 1 1 -22 -13 10 o 84.34577 4.450138  1627.427       143.5185 1414.743       
252.4358 1729.007       174.4568 79.18085 7.593673 89.51069 4.642309 -10.32983 
8.900275 
1 1 1 -22 -13 11 o 35.39960 6.512005  300.9051       91.98772 315.6975       
169.3358 294.7126       109.5632 35.38634 10.58466 35.41285 7.588789 
-0.2650833E-01 13.02401 
1 1 1 -22 -13 12 o 21.98693 6.448175  60.74485       95.49763 66.33917       
154.5047 57.28638       121.4815 23.00475 9.601241 20.96911 8.609997 2.035645 
12.89635 
1 1 1 -22 -13 13 o 28.61524 6.670310  179.5970       92.96746 299.6029       
153.6638 110.3096       116.7608 34.05872 10.06014 23.17176 8.761604 10.88696 
13.34062 
1 1 1 -22 -13 14 o 15.02503 5.193422  -200.0204      100.2339 -258.2787      
179.6241 -173.6765      120.7888 16.32327 7.968514 13.72680 6.662530 2.596476 
10.38684 
1 1 1 -22 -13 15 o 18.87844 6.016865  -15.93291      98.87926 -47.37395      
163.8014 2.092546       124.0259 19.30844 8.852975 18.44846 8.150796 0.8599796 
12.03373 
1 1 1 -22 -13 16 o 34.67376 7.312315  340.2930       116.1533 286.7492       
167.8066 389.5443       160.9397 31.74415 10.65912 37.60336 10.01314 -5.859201 
14.62463 
1 1 1 -22 -13 17 o 27.27840 7.458550  197.0152       120.4328 276.9412       
188.6692 142.0536       156.4541 30.15243 11.19409 24.40438 9.859632 5.748051 
14.91710 
1 1 1 -22 -13 18 o 27.17664 7.428997  226.8600       118.7159 261.7218       
187.7897 203.6532       153.2162 28.21708 10.99697 26.13619 9.991329 2.080887 
14.85799 
1 1 1 -22 -13 19 o 24.41355 6.817126  145.9294       123.5291 -88.02612      
191.5013 312.6496       161.6587 18.23633 8.742912 30.59077 10.46204 -12.35443 
13.63425 
1 1 1 -22 -12 1  o 70.40072 6.191325  1024.267       178.2633 829.6243       
223.9945 1360.504       294.4020 61.77222 8.637046 79.02922 8.873075 -17.25700 
12.38265 
1 1 1 -22 -12 2  o 70.71028 5.274918  1018.060       140.1919 1221.860       
276.4487 947.5052       162.6588 74.81466 8.801341 66.60591 5.816823 8.208748 
10.54984 
1 1 1 -22 -12 3  o 108.6909 4.574413  2499.679       193.7307 2640.038       
349.4845 2437.416       232.7668 110.4195 7.538818 106.9622 5.183362 3.457222 
9.148827 
1 1 1 -22 -12 4  o 49.20533 6.445117  582.4653       125.1063 337.0967       
186.8929 781.6841       168.4025 38.18113 11.03655 60.22952 6.659782 -22.04839 
12.89023 
1 1 1 -22 -12 5  o 66.54978 5.338919  1007.019       138.5736 831.0751       
231.8754 1104.768       172.8328 61.31976 9.006902 71.77981 5.735151 -10.46005 
10.67784 
1 1 1 -22 -12 6  o 81.01825 4.398453  1430.922       147.8587 1281.609       
218.5251 1557.000       200.8046 76.87630 6.770642 85.16020 5.616400 -8.283897 
8.796906 
1 1 1 -22 -12 7  o 100.1185 5.005366  2198.091       178.7896 2170.070       
363.5046 2207.033       205.3447 98.64794 8.776937 101.5890 4.814576 -2.941040 
10.01073 
1 1 1 -22 -12 8  o 64.68641 4.631192  760.2207       109.1780 1255.751       
237.6805 627.7025       122.9126 75.41515 7.506821 53.95767 5.425808 21.45748 
9.262383 
1 1 1 -22 -12 9  o 96.95810 4.177069  1970.556       149.7219 2208.967       
298.3451 1890.302       173.0969 99.96607 7.108654 93.95013 4.388468 6.015938 
8.354137 
1 1 1 -22 -12 10 o 41.65044 6.574671  440.9908       108.3691 314.5509       
192.3155 499.8187       131.1787 35.71762 11.39241 47.58325 6.566445 -11.86563 
13.14934 
1 1 1 -22 -12 11 o 32.01985 7.283366  247.6174       107.8988 240.0243       
188.6655 251.3081       131.5326 31.79503 11.26212 32.24467 9.238738 
-0.4496441     14.56673 
1 1 1 -22 -12 12 o 20.41094 6.147947  26.40627       93.65139 -67.57082      
162.7907 72.89377       114.4950 19.40240 8.866588 21.41948 8.518956 -2.017080 
12.29589 
1 1 1 -22 -12 13 o 20.65856 6.120942  31.67543       91.24243 99.95764       
134.4811 -26.56864      124.2034 23.44507 9.261501 17.87204 8.005518 5.573029 
12.24188 
1 1 1 -22 -12 14 o 28.13280 7.049066  112.0808       104.3432 387.0611       
197.1817 5.131344       122.9717 37.51791 11.46228 18.74770 8.208139 18.77021 
14.09813 
1 1 1 -22 -12 15 o 33.24546 6.856202  314.1939       109.2092 157.6972       
195.4605 385.2217       131.6803 27.01376 10.97803 39.47716 8.216626 -12.46340 
13.71240 
1 1 1 -22 -12 16 o 31.19841 6.791373  250.4619       94.88060 308.2708       
157.5729 217.5803       118.8396 33.43836 10.25283 28.95846 8.909013 4.479904 
13.58275 
1 1 1 -22 -12 17 f 23.54740 7.044300  99.93750       121.7769 47.70984       
187.4467 138.0785       160.1856 22.44510 9.955100 24.64970 9.969185 -2.204596 
14.08860 
1 1 1 -22 -12 18 o 22.52037 6.865141  75.30914       115.0318 175.8400       
188.2695 15.42302       145.3093 25.74227 10.66181 19.29847 8.651381 6.443804 
13.73028 
1 1 1 -22 -12 19 o 21.16291 6.626393  64.15879       109.8981 146.9499       
190.8060 23.05965       134.4364 23.80088 10.32168 18.52495 8.312596 5.275934 
13.25279 
1 1 1 -22 -11 1  o 50.13330 7.378849  571.4170       150.0502 576.9545       
218.9558 566.5135       206.0390 50.27742 10.69337 49.98919 10.17062 0.2882385 
14.75770 
1 1 1 -22 -11 2  o 62.38270 5.269226  811.8461       134.1839 954.6785       
223.1983 731.0045       167.9171 66.41460 8.004762 58.35079 6.854396 8.063812 
10.53845 
1 1 1 -22 -11 3  o 98.72264 5.036375  2047.008       188.0708 2225.333       
359.3338 1979.729       220.7159 101.0803 8.467447 96.36493 5.455513 4.715416 
10.07275 
1 1 1 -22 -11 4  o 59.36343 5.600915  751.7029       135.4651 824.5828       
224.0292 709.6968       170.0815 61.38219 8.693273 57.34467 7.064560 4.037521 
11.20183 
1 1 1 -22 -11 5  o 132.1220 5.474285  3745.731       286.2895 3961.292       
500.7905 3641.083       348.9293 134.1594 8.891111 130.0845 6.388999 4.074844 
10.94857 
1 1 1 -22 -11 6  o 31.94727 6.861096  101.1674       113.9914 490.4048       
207.7608 -66.47196      136.3466 45.68360 10.95700 18.21094 8.260914 27.47266 
13.72219 
1 1 1 -22 -11 7  o 28.57372 7.037452  146.6878       97.73824 253.2189       
178.0288 100.7258       116.9369 33.48629 10.97898 23.66116 8.807094 9.825138 
14.07490 
1 1 1 -22 -11 8  o 52.49509 5.367293  515.2908       104.2699 820.6367       
220.1945 427.0301       118.3843 60.63804 8.649327 44.35213 6.357709 16.28590 
10.73459 
1 1 1 -22 -11 9  o 83.02844 4.449779  1503.432       139.1212 1498.850       
261.6396 1505.239       164.2682 82.25362 7.576516 83.80326 4.668889 -1.549637 
8.899557 
1 1 1 -22 -11 10 o 32.94118 7.423386  240.3779       108.3569 316.6634       
197.5139 207.5334       129.6008 36.02148 11.55102 29.86089 9.327406 6.160597 
14.84677 
1 1 1 -22 -11 11 o 101.1596 5.080769  2235.277       175.2830 2378.330       
384.5743 2197.767       196.9273 101.3600 9.037221 100.9593 4.646018 0.4007187 
10.16154 
1 1 1 -22 -11 12 o 60.67881 4.962090  770.9964       113.4229 963.0786       
223.7327 704.5543       131.5855 64.65404 8.242424 56.70358 5.527369 7.950455 
9.924181 
1 1 1 -22 -11 13 o 53.55365 4.883617  648.2092       106.7483 650.7051       
171.7357 646.6377       136.2721 53.17309 7.692895 53.93422 6.018157 
-0.7611313     9.767234 
1 1 1 -22 -11 14 o 31.63116 7.104128  248.4665       100.2365 265.4744       
186.4145 241.5490       118.8860 32.02654 11.20946 31.23579 8.730549 0.7907543 
14.20826 
1 1 1 -22 -11 15 o 22.96074 6.842690  55.71878       104.6407 145.3466       
190.5493 17.01932       125.2099 26.67384 10.83945 19.24764 8.354397 7.426199 
13.68538 
1 1 1 -22 -11 16 o 26.07045 6.611710  169.8697       95.01838 80.26522       
170.0837 210.5226       114.5629 23.39611 9.933809 28.74479 8.728015 -5.348675 
13.22342 
1 1 1 -22 -11 17 o 30.39345 6.830321  250.0608       98.06851 261.2516       
137.2305 238.3810       140.1967 31.08796 9.575493 29.69895 9.742846 1.389009 
13.66064 
1 1 1 -22 -11 18 o 27.62579 7.034954  212.0188       103.9787 203.1838       
161.0014 218.3405       136.1895 27.16615 10.28360 28.08544 9.602598 
-0.9192867     14.06991 
1 1 1 -22 -11 19 f 23.17091 6.986652  92.58698       113.6789 241.7926       
200.1922 21.57840       138.1052 27.45945 11.12861 18.88237 8.450282 8.577084 
13.97330 
1 1 1 -22 -11 20 o 33.64311 7.549617  360.3239       113.4975 447.5369       
205.8716 322.2426       136.0383 34.67497 11.80633 32.61126 9.412617 2.063717 
15.09923 
1 1 1 -22 -10 1  o 43.94028 7.952572  434.5756       147.5622 533.5223       
222.8015 357.2581       196.9503 48.25172 11.20374 39.62885 11.28936 8.622871 
15.90514 
1 1 1 -22 -10 2  o 76.50207 5.611909  1367.336       163.6680 957.2015       
269.1818 1607.887       206.1513 66.11813 9.697195 86.88600 5.651418 -20.76787 
11.22382 
1 1 1 -22 -10 3  o 25.83233 7.671361  30.95185       137.8610 89.41460       
222.3003 -5.584131      175.7360 28.65582 11.68665 23.00885 9.940890 5.646971 
15.34272 
1 1 1 -22 -10 4  o 139.8487 6.694888  4260.834       356.1708 4404.805       
664.1074 4202.704       421.9945 140.1357 11.28784 139.5617 7.202142 0.5740051 
13.38978 
1 1 1 -22 -10 5  o 78.98000 5.152493  1280.954       156.8365 1527.061       
295.9189 1184.820       184.9491 83.58488 8.432687 74.37511 5.923053 9.209770 
10.30499 
1 1 1 -22 -10 6  o 106.6026 4.925395  2496.918       189.3265 2379.833       
376.2887 2536.605       219.0761 104.0643 8.612727 109.1410 4.781106 -5.076698 
9.850789 
1 1 1 -22 -10 7  f 38.99838 6.715994  386.1829       102.7004 227.6679       
211.3722 435.1683       117.5024 33.07240 11.89982 44.92437 6.229967 -11.85198 
13.43199 
1 1 1 -22 -10 8  o 28.54220 7.050079  132.2167       100.8893 286.5500       
181.4984 63.20553       121.3677 35.13673 11.05063 21.94767 8.757747 13.18906 
14.10016 
1 1 1 -22 -10 9  o 27.26875 7.073114  138.3086       100.4524 185.4732       
177.9662 116.2561       121.6911 29.95119 10.90494 24.58631 9.010999 5.364880 
14.14623 
1 1 1 -22 -10 10 o 77.11314 4.531343  1295.641       131.1215 1311.580       
248.8024 1289.512       154.2863 76.73650 7.722779 77.48978 4.742464 
-0.7532883     9.062686 
1 1 1 -22 -10 11 o 60.40799 4.931171  791.0254       113.1517 855.2656       
213.6063 765.9682       133.4066 61.40039 8.286365 59.41558 5.348081 1.984806 
9.862343 
1 1 1 -22 -10 12 o 54.06096 5.756113  633.4858       121.2637 764.9308       
223.8823 578.9130       144.2567 57.13122 9.333991 50.99070 6.738544 6.140518 
11.51223 
1 1 1 -22 -10 13 o 59.24155 4.433160  771.2153       108.4067 833.9487       
172.0657 729.9238       139.5967 60.96320 6.722760 57.51990 5.780669 3.443302 
8.866320 
1 1 1 -22 -10 14 o 61.74218 4.588347  877.8915       110.7644 795.4926       
189.1418 920.8991       136.6469 58.64516 7.682039 64.83920 5.019763 -6.194035 
9.176695 
1 1 1 -22 -10 15 o 55.62585 5.530005  715.5334       118.6638 755.8265       
215.5094 698.0021       142.1539 55.55961 9.239067 55.69208 6.079757 
-0.1324730     11.06001 
1 1 1 -22 -10 16 o 31.48080 7.235124  258.4730       104.9926 267.6648       
190.5543 254.4661       125.8127 31.45255 11.30046 31.50905 9.038130 
-0.5649376E-01 14.47025 
1 1 1 -22 -10 17 f 45.54892 5.961184  513.3597       108.7862 577.2475       
168.1996 467.4163       142.6357 47.74910 8.713610 43.34873 8.137313 4.400375 
11.92237 
1 1 1 -22 -10 18 o 29.55776 6.661052  227.3547       102.2845 359.6342       
146.6140 101.9260       142.7669 36.35108 9.501307 22.76444 9.338286 13.58663 
13.32210 
1 1 1 -22 -10 19 o 22.58623 6.381637  96.66190       99.80618 -16.70099      
143.2567 203.5852       139.1283 18.29996 8.346618 26.87250 9.655834 -8.572535 
12.76327 
1 1 1 -22 -10 20 o 21.74223 6.621347  99.60628       110.5760 54.95239       
172.6042 130.6897       144.0079 20.81214 9.375226 22.67231 9.352757 -1.860168 
13.24269 
1 1 1 -22 -9  1  o 54.47169 6.865664  662.7227       151.8189 603.5427       
225.3630 711.8958       205.4277 51.54694 10.76445 57.39645 8.525015 -5.849510 
13.73133 
1 1 1 -22 -9  2  f 87.73963 8.192933  1663.241       301.7965 1663.241       
301.7965 0.000000       0.000000 87.73963 8.192933 ?        ?        ? ? 
1 1 1 -22 -9  3  o 27.47534 7.328521  107.4396       125.8742 -51.96099      
195.7915 219.7381       164.3372 22.94724 10.17649 32.00345 10.54836 -9.056210 
14.65704 
1 1 1 -22 -9  4  o 45.27502 7.291899  468.7286       130.0423 467.6369       
223.8260 469.2849       159.7756 44.81184 11.75196 45.73821 8.635888 
-0.9263687     14.58380 
1 1 1 -22 -9  5  o 110.3271 4.673831  2738.409       195.9709 2309.713       
346.7989 2939.520       237.5310 103.0727 8.014109 117.5816 4.811740 -14.50887 
9.347662 
1 1 1 -22 -9  6  f 51.34885 5.932364  626.1388       110.8022 487.8036       
196.8746 690.2703       134.0476 45.89329 10.44885 56.80441 5.620797 -10.91112 
11.86473 
1 1 1 -22 -9  7  o 43.87776 6.266624  445.8935       104.4115 397.5134       
188.2228 467.3983       125.4894 41.20049 10.76387 46.55502 6.420391 -5.354530 
12.53325 
1 1 1 -22 -9  8  o 39.90586 7.211135  381.5034       114.6444 330.7273       
214.3854 401.8391       135.6731 37.64085 12.03063 42.17088 7.953989 -4.530037 
14.42227 
1 1 1 -22 -9  9  f 66.87839 5.139252  938.4299       123.4207 1064.428       
257.2065 900.7396       140.6745 68.97167 8.882441 64.78510 5.172031 4.186569 
10.27850 
1 1 1 -22 -9  10 o 23.40440 6.954093  -14.63768      112.3105 165.2076       
201.3627 -95.84921      135.3126 29.66459 11.42310 17.14420 7.934134 12.52040 
13.90819 
1 1 1 -22 -9  11 o 27.52404 6.887452  165.2147       100.5722 94.79491       
172.0998 201.7353       123.9371 25.57420 10.33732 29.47388 9.104276 -3.899683 
13.77490 
1 1 1 -22 -9  12 o 68.81675 4.929495  1006.880       127.7811 1167.625       
248.4104 949.0423       149.0065 71.57922 8.266162 66.05428 5.373105 5.524933 
9.858991 
1 1 1 -22 -9  13 o 47.38741 5.293698  469.8149       99.76041 641.5223       
179.8362 393.4889       119.8999 52.85062 8.104910 41.92421 6.812004 10.92641 
10.58740 
1 1 1 -22 -9  14 o 64.87364 4.358548  926.1457       116.4765 1000.182       
186.0203 878.3990       149.3858 66.67217 6.645638 63.07511 5.641211 3.597061 
8.717096 
1 1 1 -22 -9  15 f 32.35172 7.167047  253.4570       101.6831 316.2122       
184.8492 226.2283       121.7605 34.50134 11.18572 30.20209 8.963583 4.299242 
14.33409 
1 1 1 -22 -9  16 o 33.17926 6.872525  293.4389       101.4472 242.9314       
177.0400 318.1306       123.7851 30.53908 10.90031 35.81945 8.373151 -5.280371 
13.74505 
1 1 1 -22 -9  17 f 48.85122 5.021700  559.7451       101.8606 561.4908       
155.4184 558.4307       134.8638 48.52058 7.629524 49.18185 6.531482 
-0.6612701     10.04340 
1 1 1 -22 -9  18 o 30.59505 6.850912  249.0825       97.78329 294.4163       
150.9409 216.2979       128.3601 32.61946 10.04147 28.57063 9.322489 4.048824 
13.70182 
1 1 1 -22 -9  19 o 20.93193 6.305336  56.12059       97.70448 118.2824       
148.6727 8.864991       129.6271 23.32454 9.542295 18.53931 8.244612 4.785233 
12.61067 
1 1 1 -22 -9  20 o 23.48188 6.475809  117.6996       96.34468 252.1059       
150.6091 24.60090       125.3469 28.58917 10.06883 18.37460 8.146353 10.21457 
12.95162 
1 1 1 -22 -9  21 o 21.55129 6.877028  34.62358       123.8840 227.5439       
218.4949 -56.77929      150.3946 26.03848 11.16333 17.06409 8.034562 8.974384 
13.75406 
1 1 1 -22 -8  1  o 118.4586 4.702124  2981.469       233.0822 3179.946       
347.2465 2818.717       314.4450 121.9887 6.780150 114.9284 6.516860 7.060295 
9.404248 
1 1 1 -22 -8  2  o 133.1748 6.033080  3863.133       321.6218 3743.324       
538.0191 3929.754       401.1980 130.9336 9.787405 135.4159 7.056835 -4.482315 
12.06616 
1 1 1 -22 -8  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 -8  4  o 66.64134 5.432836  982.6888       132.3362 909.7587       
255.8159 1009.337       154.6349 64.42558 9.457806 68.85711 5.349089 -4.431534 
10.86567 
1 1 1 -22 -8  5  o 59.01321 5.244373  718.7925       120.0351 842.5517       
223.2034 668.4364       142.3763 62.14615 8.554756 55.88026 6.068768 6.265896 
10.48875 
1 1 1 -22 -8  6  o 29.07760 7.325592  130.4370       103.3312 276.6839       
202.2229 78.75944       120.2093 35.34843 11.70125 22.80676 8.816917 12.54167 
14.65118 
1 1 1 -22 -8  7  o 52.04755 5.858368  592.0001       111.9360 623.8403       
211.8910 579.6749       131.8328 52.14262 10.03741 51.95248 6.044193 0.1901436 
11.71674 
1 1 1 -22 -8  8  f 42.48035 6.525109  407.9129       107.2257 409.3353       
194.5247 407.2921       128.5124 41.66579 10.96909 43.29490 7.070164 -1.629101 
13.05022 
1 1 1 -22 -8  9  o 110.0257 4.727994  2578.608       184.1641 2730.077       
385.7806 2533.901       209.5878 111.0822 8.272120 108.9692 4.581240 2.112984 
9.455989 
1 1 1 -22 -8  10 o 40.90041 6.412477  450.4042       108.0172 188.6435       
192.2336 571.1884       130.5816 30.48028 11.30262 51.32053 6.060548 -20.84026 
12.82495 
1 1 1 -22 -8  11 o 49.10608 5.891596  470.9142       110.9791 833.4620       
206.5616 323.7946       131.5837 60.99308 8.066592 37.21907 8.589161 23.77401 
11.78319 
1 1 1 -22 -8  12 o 19.77169 6.104230  -19.34085      100.7279 -194.5595      
177.7654 63.52268       122.2472 17.86684 8.531417 21.67653 8.732780 -3.809687 
12.20846 
1 1 1 -22 -8  13 o 36.86283 6.785223  278.8743       104.8706 532.5895       
188.9666 165.9541       126.0659 46.67053 9.939897 27.05514 9.238802 19.61539 
13.57045 
1 1 1 -22 -8  14 o 16.26419 5.424900  -132.1297      98.55090 -281.7384      
167.0488 -52.26173      122.0539 15.50159 7.593829 17.02679 7.749316 -1.525203 
10.84980 
1 1 1 -22 -8  15 o 30.57965 7.195755  223.4970       99.17688 248.1022       
197.6213 215.2139       114.6616 31.49376 11.48893 29.66553 8.667186 1.828236 
14.39151 
1 1 1 -22 -8  16 o 19.69438 6.322208  -28.87187      98.00603 15.65722       
197.8885 -43.34370      112.8133 23.00948 10.21409 16.37928 7.453434 6.630198 
12.64442 
1 1 1 -22 -8  17 o 32.45964 6.737292  288.3203       111.7384 101.4342       
177.5956 410.7761       143.7584 24.52554 10.26856 40.39373 8.724743 -15.86819 
13.47458 
1 1 1 -22 -8  18 o 48.37080 6.203763  627.6643       116.0352 429.4830       
181.2634 765.2628       151.0378 39.11560 10.72252 57.62599 6.242929 -18.51038 
12.40753 
1 1 1 -22 -8  19 o 22.22223 6.564888  87.55714       102.6591 69.23602       
147.3259 104.8492       143.1288 21.60339 9.211105 22.84106 9.356631 -1.237675 
13.12978 
1 1 1 -22 -8  20 o 30.12946 6.684089  267.6758       99.20864 183.9819       
151.1192 331.0668       131.5185 25.72151 9.897712 34.53741 8.985739 -8.815908 
13.36818 
1 1 1 -22 -8  21 o 38.01423 7.415604  482.2206       128.5099 362.4278       
194.9360 574.3002       170.9064 31.67235 11.42465 44.35610 9.457384 -12.68375 
14.83121 
1 1 1 -22 -7  1  o 68.50896 4.936784  1008.406       139.1612 766.3841       
192.7974 1271.644       201.0704 59.75143 7.685534 77.26648 6.198380 -17.51505 
9.873568 
1 1 1 -22 -7  2  o 53.87455 5.436198  675.8433       110.7524 471.7273       
173.9111 815.1007       143.6475 45.82056 9.363970 61.92854 5.524950 -16.10798 
10.87240 
1 1 1 -22 -7  3  f 94.98914 4.537097  1950.733       154.2799 1884.380       
311.7887 1972.247       177.5384 93.45566 7.946500 96.52261 4.381113 -3.066948 
9.074195 
1 1 1 -22 -7  4  o 25.79414 6.890443  95.83048       113.1594 -126.7230      
204.3473 194.2599       135.8984 21.63781 9.907254 29.95046 9.579098 -8.312651 
13.78089 
1 1 1 -22 -7  5  o 111.1448 8.110976  2681.806       378.4787 2681.806       
378.4787 0.000000       0.000000 111.1448 8.110976 ?        ?        ? ? 
1 1 1 -22 -7  6  o 81.68768 4.594192  1479.603       147.0374 1295.795       
249.3722 1577.564       182.0507 77.29652 7.684385 86.07885 5.037521 -8.782333 
9.188384 
1 1 1 -22 -7  7  o 74.91394 5.072646  1218.705       143.1733 1206.511       
268.8131 1223.534       169.1638 74.13686 8.636493 75.69102 5.323339 -1.554161 
10.14529 
1 1 1 -22 -7  8  o 66.44366 5.284006  867.0449       126.4067 1156.276       
271.7622 787.1927       142.7939 72.28995 8.954312 60.59737 5.612767 11.69258 
10.56801 
1 1 1 -22 -7  9  o 27.07289 7.044771  142.4610       101.8900 94.75800       
186.3863 162.7921       121.6809 26.72536 10.77630 27.42042 9.076703 
-0.6950607     14.08954 
1 1 1 -22 -7  10 o 75.84468 4.818932  1239.950       131.8257 1286.155       
267.3051 1225.100       151.5351 76.02780 8.374441 75.66156 4.770446 0.3662415 
9.637864 
1 1 1 -22 -7  11 o 61.21116 4.818392  775.9402       117.5941 974.6958       
209.1487 684.0637       142.1994 66.33122 7.510314 56.09110 6.038442 10.24012 
9.636784 
1 1 1 -22 -7  12 o 75.47593 4.631385  1192.315       135.4433 1417.964       
252.6430 1101.304       160.4491 79.66573 7.553648 71.28613 5.361092 8.379593 
9.262770 
1 1 1 -22 -7  13 o 41.45108 6.761334  406.5372       108.8587 440.4595       
195.4295 391.2771       131.0766 41.89248 10.97883 41.00968 7.894800 0.8827972 
13.52267 
1 1 1 -22 -7  14 o 42.30470 6.542676  427.5782       110.4445 470.2648       
179.4677 401.5576       140.1199 43.53941 10.01968 41.07000 8.416199 2.469410 
13.08535 
1 1 1 -22 -7  15 o 24.50309 6.956190  75.44641       103.3991 199.4198       
186.2557 20.21909       124.3147 29.41076 11.08165 19.59542 8.411381 9.815340 
13.91238 
1 1 1 -22 -7  16 o 35.83945 7.025863  284.8376       106.2957 503.9933       
192.0794 188.0950       127.6183 43.90999 10.53776 27.76891 9.295513 16.14108 
14.05173 
1 1 1 -22 -7  17 o 31.75681 6.777744  217.5235       97.64289 422.7161       
173.0707 121.7156       118.2615 39.89551 10.27324 23.61810 8.843747 16.27741 
13.55549 
1 1 1 -22 -7  18 o 31.10605 7.057149  259.6930       103.9194 255.2517       
160.8399 262.8756       136.1540 30.68319 10.43551 31.52892 9.503342 
-0.8457279     14.11430 
1 1 1 -22 -7  19 o 44.61377 6.314851  544.0441       111.4876 393.2558       
178.7010 640.1353       142.6544 36.90922 10.83188 52.31833 6.494601 -15.40910 
12.62970 
1 1 1 -22 -7  20 o 21.87356 6.399922  55.42439       106.5501 196.5040       
149.5302 -90.09741      151.8661 26.67752 9.953299 17.06960 8.047847 9.607925 
12.79984 
1 1 1 -22 -7  21 o 19.86884 6.544827  -54.54766      125.6425 142.9805       
213.8658 -158.6519      155.2606 24.20098 10.69638 15.53671 7.544960 8.664278 
13.08965 
1 1 1 -22 -6  1  o 50.93375 6.229884  563.2272       129.6844 486.5928       
174.8594 656.9080       193.3315 46.64778 9.257533 55.21971 8.339297 -8.571934 
12.45977 
1 1 1 -22 -6  2  o 59.19536 4.650080  724.0726       113.0189 866.1277       
184.9214 639.3723       142.7913 63.62449 6.922835 54.76624 6.210260 8.858246 
9.300160 
1 1 1 -22 -6  3  o 92.29880 4.004755  1874.681       148.7737 1551.135       
234.0413 2094.071       192.7224 85.17613 6.544788 99.42146 4.617142 -14.24532 
8.009510 
1 1 1 -22 -6  4  o 81.06145 4.071924  1388.799       129.8635 1435.276       
229.0712 1366.788       157.6440 81.84154 6.666805 80.28136 4.677176 1.560173 
8.143847 
1 1 1 -22 -6  5  o 86.63707 4.723617  1622.437       148.5261 1588.260       
294.9576 1634.047       171.9120 85.52991 8.214149 87.74423 4.666687 -2.214317 
9.447233 
1 1 1 -22 -6  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 -6  7  o 167.9926 6.799587  6173.131       407.1767 6396.256       
837.0599 6103.971       466.0287 167.6307 11.89389 168.3545 6.593394 
-0.7237854     13.59917 
1 1 1 -22 -6  8  o 134.2753 5.295576  3957.143       264.5880 3845.232       
503.6816 3999.794       310.9462 131.8197 9.101163 136.7309 5.416762 -4.911194 
10.59115 
1 1 1 -22 -6  9  o 35.94094 6.142423  341.4850       106.2399 23.93038       
190.3600 485.1407       128.0348 24.51704 10.46239 47.36484 6.438622 -22.84780 
12.28485 
1 1 1 -22 -6  10 o 60.65552 5.173561  775.5532       118.5448 878.8212       
228.6469 737.5897       138.6325 62.79412 8.672960 58.51692 5.642931 4.277206 
10.34712 
1 1 1 -22 -6  11 o 51.31148 5.640423  552.6834       115.1628 692.7704       
205.5838 488.6228       139.0226 55.45495 8.830182 47.16801 7.020353 8.286945 
11.28085 
1 1 1 -22 -6  12 o 36.00579 6.859525  257.4943       104.1911 495.6973       
189.3742 154.0872       124.7734 45.37815 10.19044 26.63343 9.185163 18.74472 
13.71905 
1 1 1 -22 -6  13 o 110.0446 4.730395  2535.796       188.6716 2986.659       
390.6440 2398.629       215.4686 114.7229 8.110585 105.3664 4.870829 9.356461 
9.460791 
1 1 1 -22 -6  14 o 57.68465 4.998569  777.8228       113.9249 630.9254       
183.5124 869.9366       145.3184 52.31589 8.355124 63.05340 5.489506 -10.73751 
9.997138 
1 1 1 -22 -6  15 o 23.97360 6.667236  100.3921       97.77900 134.0626       
150.2553 75.65977       128.7769 25.72706 9.877056 22.22015 8.958344 3.506912 
13.33447 
1 1 1 -22 -6  16 o 29.27167 6.305926  221.7691       102.9476 -35.70286      
185.4703 336.4172       123.7636 21.26008 9.639915 37.28326 8.132088 -16.02318 
12.61185 
1 1 1 -22 -6  17 f 37.53191 6.852710  367.7206       105.3332 347.4144       
183.3108 377.7304       128.7026 35.69287 11.08184 39.37095 8.064203 -3.678078 
13.70542 
1 1 1 -22 -6  18 o 19.71007 6.212142  -2.824289      104.4543 -70.35286      
170.7854 37.53205       132.0270 19.19249 8.894149 20.22764 8.675077 -1.035156 
12.42428 
1 1 1 -22 -6  19 o 17.29433 5.503421  -52.20971      91.89644 -219.3704      
147.5944 53.61898       117.4369 14.68005 7.178853 19.90861 8.343540 -5.228555 
11.00684 
1 1 1 -22 -6  20 o 54.80925 6.906118  837.3090       141.1177 723.5304       
244.4953 894.1477       172.8076 48.36042 12.06771 61.25807 6.719248 -12.89765 
13.81224 
1 1 1 -22 -6  21 o 20.17476 6.512000  -3.384368      120.7722 101.6820       
190.4610 -74.04029      156.1883 23.01404 10.14293 17.33547 8.169790 5.678576 
13.02400 
1 1 1 -22 -6  22 o 27.16875 7.445857  244.4909       119.4838 237.1790       
214.3340 247.7879       143.9217 26.38775 11.17504 27.94975 9.842842 -1.562006 
14.89171 
1 1 1 -22 -5  1  o 28.13689 7.455866  127.2358       121.0627 70.30993       
167.8219 189.0003       174.8087 25.37453 10.22806 30.89924 10.85111 -5.524712 
14.91173 
1 1 1 -22 -5  2  o 79.07671 4.042192  1335.889       126.4167 1311.180       
217.9501 1348.416       155.1891 78.34793 6.625986 79.80547 4.631798 -1.457542 
8.084383 
1 1 1 -22 -5  3  o 80.82781 3.833102  1342.256       123.9646 1540.984       
216.0592 1244.732       151.3557 85.01410 6.053451 76.64153 4.703874 8.372574 
7.666204 
1 1 1 -22 -5  4  o 88.93716 3.695267  1668.497       130.9666 1722.465       
225.2036 1640.918       160.9890 89.84620 5.970308 88.02811 4.356079 1.818085 
7.390534 
1 1 1 -22 -5  5  o 87.01643 4.107682  1616.511       145.0293 1615.734       
237.5691 1616.973       183.1090 86.81214 6.518242 87.22073 5.000473 
-0.4085922     8.215364 
1 1 1 -22 -5  6  o 81.92612 5.115238  1421.619       145.7825 1498.771       
313.0084 1400.247       164.7411 82.69266 9.015921 81.15958 4.834854 1.533073 
10.23048 
1 1 1 -22 -5  7  o 89.20412 5.107512  1695.913       191.2816 0.000000       
0.000000 1695.913       191.2816 ?        ?        89.20412 5.107512 ? ? 
1 1 1 -22 -5  8  o 71.79951 8.678227  1134.281       261.5962 1134.281       
261.5962 0.000000       0.000000 71.79951 8.678227 ?        ?        ? ? 
1 1 1 -22 -5  9  o 23.97009 7.143588  45.47895       108.7897 22.25026       
223.2181 52.71527       124.5880 26.22607 11.26487 21.71412 8.787831 4.511955 
14.28718 
1 1 1 -22 -5  10 o 44.95748 6.568791  418.4026       119.0808 657.1932       
205.0006 296.7971       146.2929 54.23048 9.003944 35.68448 9.566874 18.54601 
13.13758 
1 1 1 -22 -5  11 o 81.88516 4.601349  1370.996       141.1300 1669.828       
280.4047 1269.615       163.3247 86.88887 7.686739 76.88145 5.060009 10.00742 
9.202698 
1 1 1 -22 -5  12 o 21.58456 6.464556  25.14338       103.0991 -136.7955      
194.1397 88.75260       121.6743 20.18416 9.403205 22.98496 8.873652 -2.800806 
12.92911 
1 1 1 -22 -5  13 o 40.76530 6.990355  412.4113       113.3527 363.8347       
202.5604 434.5585       136.7733 38.11256 11.61232 43.41805 7.785515 -5.305492 
13.98071 
1 1 1 -22 -5  14 o 24.94724 6.701037  121.4317       96.76055 87.81611       
156.9864 142.0262       122.8764 24.29521 9.851280 25.59927 9.086687 -1.304062 
13.40207 
1 1 1 -22 -5  15 o 28.79379 6.911878  192.7818       98.78551 228.4953       
153.3879 167.4709       129.1305 30.60790 10.19090 26.97969 9.340334 3.628212 
13.82376 
1 1 1 -22 -5  16 o 38.55068 6.463396  407.1817       108.4749 204.9339       
184.9183 513.2907       133.9411 29.48364 11.05503 47.61772 6.699872 -18.13408 
12.92679 
1 1 1 -22 -5  17 o 25.15499 6.860465  135.5867       99.92501 95.06261       
181.4555 153.2246       119.7119 24.76798 10.37528 25.54200 8.978721 
-0.7740231     13.72093 
1 1 1 -22 -5  18 o 41.48715 5.749869  505.6313       101.6964 137.4001       
163.3575 738.6471       129.9486 25.47558 10.16199 57.49871 5.383125 -32.02313 
11.49974 
1 1 1 -22 -5  19 o 20.37744 6.582584  -21.21308      108.8138 37.51313       
218.2460 -40.64107      125.5290 23.65433 10.60337 17.10055 7.803215 6.553782 
13.16517 
1 1 1 -22 -5  20 o 40.82855 7.162066  478.1198       121.5642 415.1740       
198.0672 516.1606       153.9765 36.84216 11.53547 44.81495 8.491978 -7.972786 
14.32413 
1 1 1 -22 -5  21 o 18.70970 6.214802  -53.92842      120.3049 -144.2674      
218.3504 -14.55017      144.1599 19.06400 9.187049 18.35540 8.372167 0.7085991 
12.42960 
1 1 1 -22 -5  22 o 28.41999 7.330501  231.3388       114.8080 415.4286       
189.5351 124.6468       144.2915 34.45287 11.32822 22.38712 9.306791 12.06575 
14.66100 
1 1 1 -22 -4  1  o 64.80855 4.518323  906.0603       117.2423 858.5240       
195.1341 932.9153       146.6671 63.30297 7.342267 66.31413 5.268025 -3.011154 
9.036646 
1 1 1 -22 -4  2  o 26.57705 6.534410  123.5749       94.14136 215.6929       
137.3405 41.93303       129.2954 31.34662 9.564018 21.80748 8.906380 9.539148 
13.06882 
1 1 1 -22 -4  3  o 29.97157 6.465482  194.6016       101.7700 9.441907       
164.9815 308.3336       129.3015 22.89166 9.753505 37.05147 8.489935 -14.15981 
12.93096 
1 1 1 -22 -4  4  o 102.1299 4.276485  2142.172       168.4892 2442.393       
314.9328 2021.783       199.4304 106.6533 7.033392 97.60647 4.866692 9.046799 
8.552970 
1 1 1 -22 -4  5  o 120.8938 3.682702  3126.403       181.0114 3039.733       
292.9692 3179.917       230.2080 119.3203 5.848286 122.4672 4.477356 -3.146843 
7.365403 
1 1 1 -22 -4  6  o 41.08930 6.163188  368.3739       100.9275 450.6829       
164.2499 318.4427       127.9286 44.62396 9.082473 37.55464 8.333559 7.069317 
12.32638 
1 1 1 -22 -4  7  o 69.88547 4.308927  1071.166       121.7988 945.7846       
193.6242 1153.267       156.6812 66.19728 6.966916 73.57366 5.072424 -7.376381 
8.617854 
1 1 1 -22 -4  8  o 93.42159 4.608422  1781.769       158.5719 2094.206       
321.5484 1681.368       182.2784 98.01287 7.814196 88.83029 4.887593 9.182579 
9.216845 
1 1 1 -22 -4  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 -4  10 o 35.28579 7.344454  270.0714       109.1402 355.5664       
198.1228 232.8241       130.7711 38.72524 11.41826 31.84634 9.240534 6.878901 
14.68891 
1 1 1 -22 -4  11 o 39.36547 6.896718  384.9444       111.9681 265.9732       
206.0876 434.7695       133.3689 34.21406 11.80412 44.51687 7.135939 -10.30281 
13.79344 
1 1 1 -22 -4  12 o 46.04298 6.414657  553.2232       115.0411 296.2332       
189.0504 704.3466       144.9724 35.20957 11.30185 56.87640 6.071195 -21.66682 
12.82931 
1 1 1 -22 -4  13 o 72.68248 4.701213  1180.663       133.5558 1120.408       
232.1330 1210.477       163.2885 70.59103 7.832644 74.77393 5.201472 -4.182899 
9.402427 
1 1 1 -22 -4  14 o 35.93072 6.602090  327.4366       106.2098 186.3873       
164.0193 429.2885       139.3779 28.96869 10.47660 42.89275 8.036862 -13.92406 
13.20418 
1 1 1 -22 -4  15 o 31.79512 7.145156  248.4773       104.1555 233.0654       
184.1580 255.7259       126.2956 31.16865 11.11805 32.42158 8.977859 -1.252932 
14.29031 
1 1 1 -22 -4  16 o 26.51932 7.054506  152.1709       102.0305 137.0142       
186.8923 158.6062       121.7795 26.86127 10.80753 26.17737 9.069811 0.6839085 
14.10901 
1 1 1 -22 -4  17 o 28.09324 7.284522  188.3972       110.1559 176.3069       
186.1684 194.9105       136.6431 28.00986 10.94258 28.17663 9.618574 
-0.1667690     14.56904 
1 1 1 -22 -4  18 o 53.99678 6.235233  747.7933       124.1168 630.5169       
216.0278 805.5815       151.6438 48.35886 10.90079 59.63470 6.056847 -11.27584 
12.47047 
1 1 1 -22 -4  19 o 23.12710 6.809774  88.93787       112.2402 -78.87088      
220.0576 147.9437       130.4898 21.26488 9.947108 24.98932 9.303072 -3.724442 
13.61955 
1 1 1 -22 -4  20 o 27.80181 6.901839  212.4193       111.8241 38.51484       
199.4361 292.1626       135.0502 22.72104 10.16180 32.88257 9.342346 -10.16153 
13.80368 
1 1 1 -22 -4  21 o 25.33791 7.272188  161.5530       118.1967 186.2778       
191.2253 146.2668       150.3588 26.34464 10.80732 24.33118 9.733479 2.013462 
14.54438 
1 1 1 -22 -4  22 o 19.76024 6.266406  23.26536       114.2276 -140.7457      
197.0319 106.2963       140.1909 17.78938 8.604703 21.73110 9.112104 -3.941719 
12.53281 
1 1 1 -22 -3  1  o 57.19009 5.129307  669.3122       119.6794 838.6119       
200.3477 575.3820       149.2309 62.49873 7.635444 51.88145 6.851217 10.61728 
10.25861 
1 1 1 -22 -3  2  f 42.30264 6.067356  435.9135       99.78328 272.3011       
168.5573 524.1851       123.8084 34.99299 10.57921 49.61229 5.944040 -14.61930 
12.13471 
1 1 1 -22 -3  3  o 126.4557 4.714025  3446.313       229.6621 3357.875       
414.4469 3485.505       275.8961 124.7863 7.910847 128.1250 5.128999 -3.338699 
9.428050 
1 1 1 -22 -3  4  o 92.01770 3.781852  1798.146       140.6986 1812.384       
232.9933 1789.974       176.5175 92.14134 6.022961 91.89405 4.575320 0.2472916 
7.563704 
1 1 1 -22 -3  5  o 110.1302 4.418002  2601.999       186.7286 2580.260       
340.7897 2611.325       223.2195 109.3652 7.422130 110.8952 4.794470 -1.529999 
8.836003 
1 1 1 -22 -3  6  o 51.75176 4.979707  549.8550       105.4697 714.8083       
174.2984 454.5649       132.4759 57.55071 7.213796 45.95282 6.866664 11.59789 
9.959414 
1 1 1 -22 -3  7  o 130.8527 4.102726  3758.999       208.1620 3404.393       
363.8679 3931.513       253.7951 125.6281 6.898873 136.0773 4.442408 -10.44928 
8.205452 
1 1 1 -22 -3  8  o 32.90887 6.541107  245.2218       90.64765 242.4718       
158.1273 246.5679       110.6302 32.84785 10.31143 32.96989 8.051011 
-0.1220436     13.08221 
1 1 1 -22 -3  9  f 108.3151 4.710121  2337.786       149.7861 2835.099       
411.9934 2262.040       160.7891 113.3131 8.660264 103.3171 3.706854 9.996040 
9.420241 
1 1 1 -22 -3  10 o 48.98844 7.201762  523.8807       148.1192 0.000000       
0.000000 523.8807       148.1192 ?        ?        48.98844 7.201762 ? ? 
1 1 1 -22 -3  11 o 69.99817 4.776937  1013.720       129.4729 1217.690       
242.4283 932.3266       153.1423 74.22907 7.779116 65.76726 5.546340 8.461815 
9.553875 
1 1 1 -22 -3  12 o 65.00543 5.070849  963.5049       128.2690 837.5566       
218.7861 1029.469       158.3350 60.99600 8.543571 69.01486 5.464561 -8.018860 
10.14170 
1 1 1 -22 -3  13 o 54.92872 6.190466  716.8594       126.0561 638.6104       
222.8422 753.6802       152.8640 51.20692 10.71204 58.65052 6.208041 -7.443596 
12.38093 
1 1 1 -22 -3  14 o 49.09476 5.545330  570.9137       106.8649 453.4399       
163.3853 658.7430       141.2740 43.48904 9.228210 54.70049 6.151657 -11.21146 
11.09066 
1 1 1 -22 -3  15 o 22.14087 6.497533  49.82307       97.39000 98.99212       
156.1480 18.51829       124.5936 24.59210 9.885249 19.68963 8.435259 4.902472 
12.99507 
1 1 1 -22 -3  16 o 22.81345 6.903955  44.86520       117.0536 47.82346       
177.0519 42.56819       156.0143 23.41009 10.04316 22.21681 9.475929 1.193277 
13.80791 
1 1 1 -22 -3  17 f 32.16931 7.199868  259.8740       112.8401 172.0456       
156.0899 356.0215       163.3153 27.31563 10.17366 37.02299 10.19063 -9.707359 
14.39974 
1 1 1 -22 -3  18 o 26.23948 7.181364  151.8497       112.4479 182.9500       
166.1077 125.5406       152.7778 27.65097 10.45178 24.82799 9.851307 2.822981 
14.36273 
1 1 1 -22 -3  19 o 27.36906 7.294711  141.6207       113.1735 328.2591       
196.7071 49.27121       138.3684 33.80714 11.54056 20.93099 8.925622 12.87615 
14.58942 
1 1 1 -22 -3  20 o 20.42261 6.405491  -26.15584      98.56851 150.4532       
189.2571 -91.89247      115.4647 25.93918 10.71328 14.90603 7.024733 11.03314 
12.81098 
1 1 1 -22 -3  21 o 20.67139 6.611537  -8.348500      113.2000 120.0434       
202.7827 -66.47073      136.4374 24.58781 10.65150 16.75497 7.835519 7.832840 
13.22307 
1 1 1 -22 -3  22 o 21.64446 6.710139  81.03778       111.9206 94.00345       
195.4912 74.71597       136.5056 22.72300 10.11439 20.56593 8.820600 2.157066 
13.42028 
1 1 1 -22 -3  23 o 44.25458 6.526561  494.8949       114.5780 854.5043       
209.5580 341.5485       136.8439 54.78529 9.110899 33.72387 9.347487 21.06142 
13.05312 
1 1 1 -22 -2  1  o 163.8960 5.715096  5907.323       351.5385 5507.813       
653.9879 6069.664       416.8881 158.9252 9.801625 168.8667 5.880259 -9.941544 
11.43019 
1 1 1 -22 -2  2  o 115.6290 3.848759  2810.247       172.9171 2925.636       
312.8409 2759.487       207.4940 117.0557 6.365789 114.2023 4.327645 2.853325 
7.697518 
1 1 1 -22 -2  3  o 44.22176 6.076132  440.7650       107.5599 390.7962       
170.4655 473.8192       138.6438 41.45013 9.914408 46.99340 7.027236 -5.543274 
12.15226 
1 1 1 -22 -2  4  o 39.61042 6.647479  365.7728       107.0983 305.7366       
175.1417 401.6298       135.3537 36.73550 10.70512 42.48534 7.883931 -5.749840 
13.29496 
1 1 1 -22 -2  5  o 92.42361 3.782732  1836.706       138.5454 1764.718       
236.5151 1874.312       170.9442 90.80265 6.204138 94.04458 4.329538 -3.241928 
7.565463 
1 1 1 -22 -2  6  o 20.21141 6.260219  -23.34342      98.56646 -2.977606      
160.5061 -35.67361      124.8894 22.05659 9.514551 18.36622 8.138470 3.690363 
12.52044 
1 1 1 -22 -2  7  o 56.24257 5.077622  739.3312       107.3414 529.5578       
172.0544 873.0135       137.3496 48.48242 8.775042 64.00272 5.111520 -15.52029 
10.15524 
1 1 1 -22 -2  8  f 39.94289 6.052169  347.7641       94.60007 416.3120       
162.5896 312.6823       116.3152 42.61650 9.342626 37.26928 7.696126 5.347225 
12.10434 
1 1 1 -22 -2  9  o 69.37822 3.876638  922.8604       104.2458 1332.216       
199.9964 770.1544       122.1519 78.67143 6.055167 60.08500 4.842339 18.58643 
7.753276 
1 1 1 -22 -2  10 o 89.00084 3.849468  1586.526       122.3384 1925.273       
261.7405 1491.835       138.3849 94.19654 6.618462 83.80513 3.933139 10.39141 
7.698936 
1 1 1 -22 -2  11 f 100.2881 4.531828  2161.357       167.7471 2239.968       
328.8673 2133.711       195.0254 100.6896 7.779598 99.88653 4.650561 0.8030701 
9.063657 
1 1 1 -22 -2  12 o 27.04892 10.93095  106.3366       192.3723 106.3366       
192.3723 0.000000       0.000000 27.04892 10.93095 ?        ?        ? ? 
1 1 1 -22 -2  13 o 61.25614 4.918597  805.5782       118.2296 902.5397       
212.7235 762.2389       142.2186 63.33284 8.000322 59.17944 5.724092 4.153408 
9.837194 
1 1 1 -22 -2  14 o 71.04197 4.584638  1152.298       130.2778 966.7821       
207.6809 1272.663       167.2847 65.52930 7.548872 76.55463 5.204821 -11.02533 
9.169276 
1 1 1 -22 -2  15 f 43.36822 6.862474  461.8821       122.0661 412.7395       
171.2649 512.6205       174.0234 40.73203 10.06114 46.00441 9.335292 -5.272385 
13.72495 
1 1 1 -22 -2  16 o 39.58964 6.444009  398.1513       116.0831 170.9876       
168.6932 602.4681       159.9854 27.86817 10.53312 51.31111 7.426599 -23.44294 
12.88802 
1 1 1 -22 -2  17 o 31.16734 7.234422  246.8088       109.2352 255.2520       
158.0584 239.0889       151.1376 31.59119 10.34489 30.74349 10.11587 0.8477001 
14.46884 
1 1 1 -22 -2  18 o 35.08382 7.061687  321.8444       108.6114 339.6830       
162.0147 307.2839       146.3729 35.79033 10.25316 34.37731 9.713003 1.413017 
14.12337 
1 1 1 -22 -2  19 o 26.70259 7.412400  97.90883       109.7370 343.6263       
223.4360 19.79721       125.9775 34.18180 12.24108 19.22338 8.362457 14.95843 
14.82480 
1 1 1 -22 -2  20 o 43.54193 6.501246  492.9583       106.7452 487.5560       
199.2182 495.1339       126.4256 41.01643 11.23991 46.06744 6.536753 -5.051010 
13.00249 
1 1 1 -22 -2  21 f 42.91631 7.061330  459.7315       119.8946 732.8827       
214.4444 335.5222       144.6074 51.11031 10.35507 34.72231 9.603235 16.38800 
14.12266 
1 1 1 -22 -2  22 o 49.08067 7.591899  688.7238       145.4341 888.2985       
253.5748 590.8950       177.5361 52.63054 11.77307 45.53079 9.588669 7.099751 
15.18380 
1 1 1 -22 -2  23 o 32.88340 7.523097  361.8634       116.9271 367.7998       
201.7249 358.8598       143.4907 31.43481 11.59388 34.33200 9.590097 -2.897186 
15.04619 
1 1 1 -22 -1  1  o 128.1483 4.889572  3556.761       248.9834 3388.065       
421.4138 3647.229       308.6073 125.3541 8.007397 130.9425 5.613667 -5.588425 
9.779144 
1 1 1 -22 -1  2  o 50.97635 5.646445  565.3578       112.8340 579.8965       
189.3091 557.3471       140.5223 50.90651 9.194321 51.04618 6.556967 
-0.1396713     11.29289 
1 1 1 -22 -1  3  o 29.14199 7.128947  171.2129       104.5436 173.5622       
168.2630 169.7359       133.4207 29.80696 10.62791 28.47703 9.504481 1.329929 
14.25789 
1 1 1 -22 -1  4  o 77.82431 4.561109  1368.493       134.4541 1119.046       
237.1142 1486.712       163.2343 71.93353 7.851400 83.71508 4.644392 -11.78155 
9.122218 
1 1 1 -22 -1  5  o 41.73410 6.126694  442.0154       105.2490 185.8916       
169.0329 604.1879       134.5039 30.32076 10.66811 53.14744 6.028005 -22.82668 
12.25339 
1 1 1 -22 -1  6  o 90.68842 3.942381  1782.475       146.7446 1611.172       
226.2585 1906.850       192.7920 86.68378 6.217104 94.69306 4.849443 -8.009277 
7.884763 
1 1 1 -22 -1  7  o 102.9757 4.168638  2170.085       159.9559 2497.170       
317.3254 2058.664       185.2070 107.5051 7.030674 98.44624 4.481047 9.058838 
8.337276 
1 1 1 -22 -1  8  o 106.1051 3.559344  2415.061       143.9106 2368.713       
265.2090 2434.403       171.3280 105.0172 6.015186 107.1931 3.806998 -2.175903 
7.118687 
1 1 1 -22 -1  9  o 68.29128 4.032210  1029.648       106.9155 921.8099       
185.6907 1083.127       130.7658 65.22530 6.781021 71.35724 4.364930 -6.131935 
8.064420 
1 1 1 -22 -1  10 o 51.52219 4.740961  594.1854       91.85918 534.3576       
168.3162 619.5638       109.6243 49.20499 8.147752 53.83939 4.849844 -4.634407 
9.481922 
1 1 1 -22 -1  11 o 68.42456 3.888130  1017.985       103.1414 983.3560       
183.4756 1033.984       124.7125 67.21615 6.501682 69.63298 4.265952 -2.416832 
7.776259 
1 1 1 -22 -1  12 o 23.98600 7.003851  53.48508       107.3177 113.2994       
191.9662 26.29283       129.4329 27.29383 10.96498 20.67816 8.716932 6.615671 
14.00770 
1 1 1 -22 -1  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 -1  14 o 44.67509 6.259385  462.8668       115.0627 567.3035       
170.7537 376.0006       155.7287 49.93058 8.145630 39.41961 9.506226 10.51097 
12.51877 
1 1 1 -22 -1  15 o 86.68957 4.891769  1686.127       168.4406 1682.546       
287.4336 1687.999       207.8745 85.68952 7.989707 87.68961 5.646432 -2.000092 
9.783539 
1 1 1 -22 -1  16 o 25.34981 7.017790  120.2575       111.0448 59.39978       
168.0210 167.4543       147.9659 23.43230 9.907405 27.26731 9.941874 -3.835007 
14.03558 
1 1 1 -22 -1  17 o 31.32684 7.250783  245.3857       113.1690 169.5636       
159.0127 323.2093       161.0979 27.32573 10.25036 35.32796 10.25795 -8.002232 
14.50157 
1 1 1 -22 -1  18 o 68.21469 4.635392  1076.997       128.5454 989.4334       
203.0256 1135.586       166.0728 65.08398 7.430154 71.34540 5.544390 -6.261421 
9.270784 
1 1 1 -22 -1  19 o 17.35069 5.832321  -108.7086      98.82317 -65.26204      
192.4738 -124.2621      115.1614 20.44223 9.461306 14.25916 6.822578 6.183076 
11.66464 
1 1 1 -22 -1  20 o 24.66371 6.557827  143.7256       102.6115 -77.51388      
207.9444 214.9372       117.9753 20.60847 9.647711 28.71894 8.884934 -8.110466 
13.11565 
1 1 1 -22 -1  21 o 34.84073 6.939507  378.4938       118.3095 176.8168       
209.9959 472.2744       143.1987 26.71431 11.17426 42.96716 8.231831 -16.25285 
13.87901 
1 1 1 -22 -1  22 o 22.07459 6.913271  69.02010       122.6002 119.0911       
202.5722 40.07884       154.0088 23.89882 10.49863 20.25036 8.997332 3.648464 
13.82654 
1 1 1 -22 -1  23 o 28.81216 7.760626  269.0349       124.7117 383.1748       
214.0452 210.3738       153.4480 31.65949 11.88931 25.96482 9.977649 5.694674 
15.52125 
1 1 1 -22 0   1  o 70.74095 4.338194  1070.797       124.6273 1057.521       
203.0854 1078.817       157.8433 70.23592 6.887164 71.24599 5.276996 -1.010078 
8.676389 
1 1 1 -22 0   2  o 115.8183 3.755278  2862.488       172.0111 2822.612       
296.9204 2882.631       211.0301 114.9533 6.152333 116.6833 4.307812 -1.730042 
7.510556 
1 1 1 -22 0   3  o 85.08334 3.983370  1529.956       138.5040 1599.632       
225.2263 1487.581       175.6412 86.49104 6.202532 83.67564 4.999753 2.815399 
7.966739 
1 1 1 -22 0   4  o 47.47360 5.729977  510.3955       102.2504 460.8252       
180.1026 533.9725       124.2091 44.95600 9.813605 49.99120 5.918082 -5.035202 
11.45995 
1 1 1 -22 0   5  o 37.13539 6.745158  329.5147       107.9187 215.6760       
173.1538 401.8222       138.0000 31.88929 10.82762 42.38150 8.046822 -10.49221 
13.49032 
1 1 1 -22 0   6  o 69.72064 4.224806  1032.359       121.0496 1083.398       
193.8927 999.7595       154.9585 70.99239 6.505352 68.44891 5.392248 2.543480 
8.449613 
1 1 1 -22 0   7  o 61.51245 4.256177  788.9965       104.7291 886.8354       
181.8212 740.4189       128.1170 64.11371 6.754832 58.91120 5.180001 5.202511 
8.512354 
1 1 1 -22 0   8  o 41.78425 6.220752  387.9689       100.9177 403.6261       
180.1255 380.8057       121.8350 41.62880 10.33988 41.93970 6.919389 
-0.3109016     12.44150 
1 1 1 -22 0   9  o 41.73687 5.720062  347.1223       94.55640 563.1482       
167.2563 245.6464       114.6334 50.68850 7.859486 32.78524 8.312938 17.90326 
11.44012 
1 1 1 -22 0   10 o 61.70965 3.962053  775.3184       89.39176 910.9766       
183.3547 733.0199       102.3839 64.72476 6.747496 58.69454 4.154847 6.030224 
7.924106 
1 1 1 -22 0   11 o 63.62154 4.044787  739.3312       97.65363 1232.309       
197.0822 578.9109       112.4252 75.33584 6.231132 51.90723 5.158897 23.42860 
8.089575 
1 1 1 -22 0   12 o 25.99268 6.498435  130.1277       82.74530 180.7478       
152.2453 108.9063       98.57565 28.87111 10.12778 23.11424 8.145350 5.756870 
12.99687 
1 1 1 -22 0   13 o 33.98935 6.611549  304.0257       108.0608 79.16314       
193.5354 405.8828       130.2559 25.92336 10.77781 42.05534 7.660882 -16.13198 
13.22310 
1 1 1 -22 0   14 o 63.51477 6.496974  892.2505       173.2466 0.000000       
0.000000 892.2505       173.2466 ?        ?        63.51477 6.496974 ? ? 
1 1 1 -22 0   15 o 34.37750 7.234941  298.8369       116.4718 205.5891       
176.8133 370.3151       154.8041 29.91993 10.87191 38.83508 9.548768 -8.915146 
14.46988 
1 1 1 -22 0   16 o 101.7346 5.066798  2370.933       203.5037 2287.402       
347.4423 2414.555       251.0799 98.94748 8.363711 104.5217 5.721721 -5.574188 
10.13360 
1 1 1 -22 0   17 o 21.04089 6.477638  16.31284       107.1672 45.15603       
158.4052 -8.031239      145.5272 22.26801 9.524582 19.81377 8.781886 2.454241 
12.95528 
1 1 1 -22 0   18 o 51.41223 5.915524  667.6719       117.3092 495.7080       
181.1179 791.9470       153.9695 43.66771 10.07675 59.15675 6.199424 -15.48904 
11.83105 
1 1 1 -22 0   19 o 44.93771 6.714823  523.8433       110.0626 501.4469       
217.3801 531.5638       127.6311 41.68332 11.85592 48.19210 6.308143 -6.508781 
13.42965 
1 1 1 -22 0   20 o 51.81881 6.470570  647.2615       119.1949 778.8983       
241.0683 604.6660       137.1302 52.56067 11.25074 51.07695 6.394834 1.483711 
12.94114 
1 1 1 -22 0   21 o 24.04691 7.005039  27.74712       110.4711 320.4279       
209.7576 -84.59461      129.9545 32.09206 11.82380 16.00175 7.515329 16.09031 
14.01008 
1 1 1 -22 0   22 o 26.84905 7.548769  211.1812       126.6638 183.3696       
214.6290 226.0437       156.8997 26.05243 11.11320 27.64567 10.21922 -1.593241 
15.09754 
1 1 1 -22 0   23 o 27.98691 7.168699  262.6025       119.9558 122.6632       
207.6588 332.6842       146.9545 23.28399 10.39253 32.68982 9.877063 -9.405828 
14.33740 
1 1 1 -22 1   1  o 61.35479 4.371782  808.8131       111.4196 671.3795       
156.6572 949.5012       158.5012 55.96265 6.667658 66.74693 5.656169 -10.78429 
8.743564 
1 1 1 -22 1   2  f 138.8902 3.868953  4117.728       221.1565 4063.438       
347.6321 4154.640       286.6425 137.9139 6.003891 139.8664 4.881444 -1.952469 
7.737906 
1 1 1 -22 1   3  o 83.05530 4.079077  1490.484       139.2220 1374.368       
215.3544 1573.858       182.4827 80.08083 6.405400 86.02977 5.052358 -5.948936 
8.158154 
1 1 1 -22 1   4  o 52.21913 4.997604  527.2691       103.2512 792.4399       
188.6543 413.8724       123.3684 60.55767 7.420251 43.88060 6.696571 16.67707 
9.995209 
1 1 1 -22 1   5  o 60.44690 5.664612  890.9656       123.6502 540.5829       
198.3121 1113.823       158.1582 48.59727 10.05982 72.29652 5.210690 -23.69926 
11.32922 
1 1 1 -22 1   6  o 59.58761 4.729837  769.0255       115.2571 746.0404       
183.4501 784.0155       148.1471 58.66453 7.448406 60.51069 5.831526 -1.846157 
9.459675 
1 1 1 -22 1   7  o 65.98167 4.354774  908.8065       113.5594 1015.583       
201.9034 859.3987       137.3422 68.50556 7.020028 63.45777 5.155138 5.047791 
8.709548 
1 1 1 -22 1   8  o 30.88742 6.386345  146.2096       95.30377 407.6264       
168.0670 22.30868       115.7052 41.98438 9.719124 19.79046 8.287354 22.19392 
12.77269 
1 1 1 -22 1   9  o 38.22687 5.600243  331.4147       85.25328 329.7950       
136.2003 332.4582       109.3172 37.89508 8.734103 38.55866 7.011869 
-0.6635818     11.20049 
1 1 1 -22 1   10 o 22.92241 6.118263  88.88227       84.30983 -37.91973      
155.6444 141.5390       100.2992 20.37008 9.048449 25.47473 8.237606 -5.104650 
12.23653 
1 1 1 -22 1   11 o 39.25877 6.321851  338.7820       101.0909 484.8172       
163.6597 248.6898       128.5454 45.83644 8.819262 32.68109 9.060013 13.15536 
12.64370 
1 1 1 -22 1   12 o 33.98448 6.608975  281.6835       100.8377 184.0590       
157.1972 349.9424       131.4453 29.13215 10.28399 38.83681 8.303840 -9.704664 
13.21795 
1 1 1 -22 1   13 o 46.05605 5.652896  460.1312       104.2363 661.8277       
167.6941 333.1340       133.0655 54.49711 7.329347 37.61499 8.608230 16.88211 
11.30579 
1 1 1 -22 1   14 o 48.24085 5.702013  552.7228       107.0062 468.3976       
171.8719 606.0989       136.7412 44.03270 9.564999 52.44901 6.209880 -8.416302 
11.40403 
1 1 1 -22 1   15 o 49.33865 6.137428  570.0988       123.3500 594.2615       
187.8490 551.7826       163.5506 49.59604 9.363534 49.08126 7.937023 0.5147858 
12.27486 
1 1 1 -22 1   16 o 38.21098 10.75482  377.1993       179.7928 377.1993       
179.7928 0.000000       0.000000 38.21098 10.75482 ?        ?        ? ? 
1 1 1 -22 1   17 o 75.79408 4.147119  1292.631       130.5239 1161.291       
191.9339 1405.628       178.0269 71.77990 6.368981 79.80827 5.313233 -8.028374 
8.294237 
1 1 1 -22 1   18 o 43.59995 6.209394  465.2360       108.7307 521.9730       
167.7434 424.1237       142.7900 45.70588 9.063891 41.49403 8.489532 4.211842 
12.41879 
1 1 1 -22 1   19 o 42.17274 6.896068  465.3991       114.2380 465.3281       
200.5126 465.4332       139.0040 40.65114 11.33050 43.69434 7.864018 -3.043201 
13.79214 
1 1 1 -22 1   20 o 28.32232 6.180223  218.8662       105.6746 -116.0869      
201.3787 346.1524       124.1401 19.60070 9.248862 37.04393 8.199947 -17.44323 
12.36045 
1 1 1 -22 1   21 o 25.33709 7.119865  148.6469       104.3761 182.0910       
200.6741 136.2437       122.2076 26.88289 11.05682 23.79129 8.973104 3.091602 
14.23973 
1 1 1 -22 1   22 o 24.13932 7.132539  139.2862       119.1049 105.5522       
203.9758 156.7387       146.7146 23.75738 10.48019 24.52127 9.677712 
-0.7638836     14.26508 
1 1 1 -22 1   23 o 18.48248 6.203516  -82.68720      118.0042 71.70965       
209.4532 -154.4831      142.8294 22.13762 10.09575 14.82734 7.211807 7.310282 
12.40703 
1 1 1 -22 2   1  o 62.17211 5.297909  837.9233       129.9644 824.5801       
224.8322 844.6192       159.2700 61.49477 8.708464 62.84946 6.036059 -1.354691 
10.59582 
1 1 1 -22 2   2  o 61.70639 4.700010  848.3657       112.4932 731.1894       
193.4317 908.2514       138.2831 58.06871 7.934263 65.34408 5.040619 -7.275372 
9.400020 
1 1 1 -22 2   3  o 55.68950 5.919600  743.6343       122.9854 481.5870       
193.9034 920.0037       159.0769 45.76587 10.33529 65.61314 5.774806 -19.84727 
11.83920 
1 1 1 -22 2   4  o 123.9389 4.401839  3317.397       209.5641 3234.992       
380.0738 3353.394       251.1988 122.2806 7.403405 125.5972 4.763858 -3.316582 
8.803679 
1 1 1 -22 2   5  o 39.69668 6.560593  331.7271       106.1857 506.8492       
177.0273 233.3097       132.7106 47.25914 9.252210 32.13421 9.303877 15.12493 
13.12119 
1 1 1 -22 2   6  o 26.04097 6.855234  78.93291       104.1374 230.5467       
169.5351 -12.93373      131.9682 32.42525 10.71388 19.65670 8.555099 12.76855 
13.71047 
1 1 1 -22 2   7  o 30.12515 6.285632  138.1490       94.48984 387.4109       
161.0356 7.269624       116.6889 41.00505 9.527539 19.24525 8.201383 21.75980 
12.57126 
1 1 1 -22 2   8  o 18.14085 5.837850  -69.35648      92.88673 -51.44387      
157.9934 -78.81831      114.8277 20.22308 9.044589 16.05862 7.383588 4.164463 
11.67570 
1 1 1 -22 2   9  o 92.30319 4.494296  1859.675       141.6713 1813.880       
305.5975 1872.211       159.8907 90.75504 8.020476 93.85134 4.057923 -3.096298 
8.988591 
1 1 1 -22 2   10 o 69.84631 4.535285  1137.000       121.3807 825.9733       
200.3715 1317.301       152.5585 61.18030 7.800914 78.51231 4.628281 -17.33201 
9.070570 
1 1 1 -22 2   11 o 25.61219 6.819444  119.3709       98.51630 139.1484       
153.6726 105.5713       128.3642 26.95500 10.08359 24.26939 9.183704 2.685602 
13.63889 
1 1 1 -22 2   12 o 37.08255 6.496850  296.9200       102.3005 491.0490       
167.2879 180.9578       129.2937 45.82555 9.016393 28.33954 9.356331 17.48601 
12.99370 
1 1 1 -22 2   13 o 90.14146 4.026793  1756.197       142.0059 1811.089       
252.4037 1730.775       171.7703 90.57030 6.637905 89.71262 4.560532 0.8576736 
8.053585 
1 1 1 -22 2   14 o 20.40625 6.191559  14.48967       96.38277 -47.76697      
151.9387 56.41143       124.6796 19.41958 8.769363 21.39292 8.742991 -1.973335 
12.38312 
1 1 1 -22 2   15 o 32.45616 6.356070  265.7392       102.2310 79.06476       
159.6806 395.4000       133.0804 23.95136 9.859078 40.96096 8.024779 -17.00961 
12.71214 
1 1 1 -22 2   16 o 67.72667 4.961636  1003.110       127.2016 1131.929       
243.2684 954.6360       149.2271 69.57412 8.328350 65.87922 5.395358 3.694901 
9.923271 
1 1 1 -22 2   17 o 20.44024 8.983918  6.491053       148.4920 0.000000       
0.000000 6.491053       148.4920 ?        ?        20.44024 8.983918 ? ? 
1 1 1 -22 2   18 f 18.65268 6.030409  -50.65178      104.6757 -30.16950      
159.0356 -66.30711      139.0390 19.75611 8.943871 17.54926 8.091385 2.206844 
12.06082 
1 1 1 -22 2   19 o 19.76140 6.286715  -9.130898      106.4604 -72.04889      
186.1712 21.44028       129.7721 19.98955 9.272196 19.53325 8.492204 0.4563007 
12.57343 
1 1 1 -22 2   20 o 25.34237 6.905449  154.1304       104.4008 53.41504       
203.6139 190.0525       121.6021 23.52396 10.41191 27.16077 9.073762 -3.636812 
13.81090 
1 1 1 -22 2   21 o 19.95180 6.340452  15.49709       103.9544 -53.01837      
202.0446 40.16482       121.2321 20.55165 9.581496 19.35195 8.306640 1.199703 
12.68090 
1 1 1 -22 2   22 o 22.76918 6.977971  95.16283       119.2179 99.16276       
203.3503 93.06801       147.1615 23.58712 10.42694 21.95124 9.276165 1.635880 
13.95594 
1 1 1 -22 2   23 o 19.98933 6.245422  45.55716       105.9736 -29.02164      
153.9461 112.7277       146.1000 17.98281 8.376021 21.99585 9.266253 -4.013046 
12.49084 
1 1 1 -22 3   1  f 101.3439 4.310745  2189.308       174.2299 2234.330       
298.0613 2165.940       214.7374 101.8194 6.972622 100.8685 5.070763 0.9509048 
8.621490 
1 1 1 -22 3   2  o 33.39037 7.210309  252.8633       110.8417 210.0388       
172.7570 282.8270       144.5065 31.56520 10.81521 35.21552 9.538635 -3.650318 
14.42062 
1 1 1 -22 3   3  o 44.83591 6.199763  464.6859       109.8675 386.1964       
178.0937 512.9100       139.5966 40.88402 10.35857 48.78780 6.815297 -7.903774 
12.39953 
1 1 1 -22 3   4  o 56.15359 5.381165  725.8189       116.7447 533.3564       
178.3067 870.2334       154.4543 48.54572 9.084980 63.76146 5.769826 -15.21574 
10.76233 
1 1 1 -22 3   5  o 90.96825 4.449449  1753.855       157.3767 1848.848       
284.8363 1712.114       188.8138 92.32006 7.348866 89.61645 5.018421 2.703613 
8.898897 
1 1 1 -22 3   6  o 76.05746 3.962433  1281.839       118.1514 1108.711       
199.4600 1375.425       146.6487 71.65987 6.629806 80.45504 4.341563 -8.795166 
7.924866 
1 1 1 -22 3   7  o 61.86864 4.333410  814.3269       105.9701 854.2398       
185.7216 795.0598       129.0370 62.72594 7.052390 61.01133 5.037615 1.714611 
8.666820 
1 1 1 -22 3   8  o 57.40444 4.478920  704.8850       104.2767 982.5136       
156.6316 483.8846       139.7474 67.65787 5.514195 47.15101 7.059499 20.50686 
8.957839 
1 1 1 -22 3   9  o 68.40923 3.690369  998.7750       104.0575 1030.760       
164.5659 977.4673       134.3177 69.18626 5.665538 67.63220 4.730431 1.554062 
7.380738 
1 1 1 -22 3   10 o 65.46870 3.920756  941.2172       103.2398 630.4728       
143.9186 1270.641       148.1810 53.84723 6.366119 77.09016 4.578410 -23.24292 
7.841512 
1 1 1 -22 3   11 o 53.33234 4.240176  626.1819       93.56744 540.3832       
137.4262 700.3259       127.7515 49.69402 6.586983 56.97068 5.341164 -7.276661 
8.480352 
1 1 1 -22 3   12 o 65.30892 3.998900  862.8979       104.7006 1152.711       
184.7958 725.8831       127.0623 72.66700 6.057256 57.95084 5.222494 14.71616 
7.997799 
1 1 1 -22 3   13 o 25.69023 6.827603  129.8402       99.84377 103.5534       
156.4363 147.9080       129.6945 25.10802 9.966625 26.27243 9.334401 -1.164412 
13.65521 
1 1 1 -22 3   14 o 60.48928 4.513742  782.9828       111.7057 934.0083       
184.7772 695.9962       140.2328 64.71802 6.800554 56.26055 5.936997 8.457466 
9.027484 
1 1 1 -22 3   15 o 57.30849 4.900037  770.4942       111.8679 582.0459       
171.6278 909.6967       147.5078 50.21291 8.141291 64.40408 5.455350 -14.19118 
9.800075 
1 1 1 -22 3   16 o 23.33497 5.933248  35.16385       101.3925 -273.3259      
158.5827 248.4674       131.8665 14.99200 7.361085 31.67794 9.307424 -16.68594 
11.86650 
1 1 1 -22 3   17 o 43.93929 6.195650  507.3781       109.3561 301.1167       
168.5071 657.4539       143.7356 33.89718 10.64521 53.98139 6.342223 -20.08421 
12.39130 
1 1 1 -22 3   18 o 30.75605 9.884677  244.5252       144.5786 0.000000       
0.000000 244.5252       144.5786 ?        ?        30.75605 9.884677 ? ? 
1 1 1 -22 3   19 o 23.38029 6.819949  75.85780       105.0020 175.1823       
176.9257 21.85182       130.4619 27.18999 10.65823 19.57059 8.511691 7.619400 
13.63990 
1 1 1 -22 3   20 o 62.57403 5.599391  933.6880       124.0241 984.8828       
253.8162 917.6306       142.1502 61.28897 9.864115 63.85908 5.302074 -2.570103 
11.19878 
1 1 1 -22 3   21 o 23.88530 6.839751  127.1783       105.7497 48.69971       
200.3332 157.4930       124.5101 22.82977 10.19820 24.94083 9.117320 -2.111061 
13.67950 
1 1 1 -22 3   22 o 47.80007 7.056572  664.1740       129.3828 605.6556       
230.5303 691.0827       156.3249 42.53899 12.24491 53.06115 7.017341 -10.52217 
14.11314 
1 1 1 -22 3   23 o 39.98165 6.625494  479.2785       114.5195 350.6939       
167.2773 592.7077       157.1104 32.56346 10.64230 47.39984 7.894948 -14.83638 
13.25099 
1 1 1 -22 4   1  o 88.99917 3.745291  1652.146       132.9375 1811.753       
231.2296 1573.346       162.4731 91.93531 5.990765 86.06303 4.496616 5.872284 
7.490582 
1 1 1 -22 4   2  o 59.25057 4.806595  729.6854       117.0089 898.6356       
191.1048 628.3665       147.9919 64.47346 7.060114 54.02769 6.524431 10.44577 
9.613190 
1 1 1 -22 4   3  o 67.00787 4.702124  981.6581       129.1858 895.2872       
200.2238 1043.257       169.0896 64.22855 7.425209 69.78718 5.771149 -5.558624 
9.404248 
1 1 1 -22 4   4  o 70.77450 4.638206  1039.954       130.0758 1202.292       
231.5352 965.0894       157.2340 74.40051 7.412457 67.14848 5.577393 7.252029 
9.276413 
1 1 1 -22 4   5  o 29.48442 6.933476  143.1745       105.1969 323.2737       
173.6908 38.83801       132.2023 37.31572 10.59267 21.65312 8.949177 15.66260 
13.86695 
1 1 1 -22 4   6  o 61.80715 4.090860  818.0894       105.8564 851.3620       
156.7751 790.2092       143.5099 62.92223 5.934633 60.69207 5.632110 2.230164 
8.181720 
1 1 1 -22 4   7  o 48.48526 5.398496  483.6463       103.4405 720.6893       
173.6973 353.3825       128.7631 57.51167 7.193798 39.45885 8.051354 18.05282 
10.79699 
1 1 1 -22 4   8  o 112.7930 4.070390  2750.246       185.2284 2702.191       
305.8623 2778.077       232.7652 111.6023 6.527905 113.9838 4.864027 -2.381500 
8.140780 
1 1 1 -22 4   9  o 91.08978 4.416232  1837.332       163.2092 1628.274       
257.4329 1977.835       211.0437 86.23057 7.110888 95.94900 5.239055 -9.718430 
8.832464 
1 1 1 -22 4   10 f 24.82341 6.660675  73.99542       100.2668 207.9338       
157.6655 -16.95639      129.9241 30.50330 10.33202 19.14352 8.408790 11.35978 
13.32135 
1 1 1 -22 4   11 o 35.81747 6.208601  322.7929       95.94446 181.3680       
164.6960 395.4439       118.0431 29.18047 10.50362 42.45447 6.622750 -13.27400 
12.41720 
1 1 1 -22 4   12 o 71.00175 4.054634  1091.263       119.1673 1137.404       
186.1449 1059.220       155.1212 72.07227 6.151825 69.93124 5.283490 2.141022 
8.109267 
1 1 1 -22 4   13 o 24.38436 6.768919  101.5566       100.9989 88.68184       
154.1070 111.2503       133.7207 24.32333 9.802510 24.44538 9.337228 
-0.1220570     13.53784 
1 1 1 -22 4   14 o 63.74950 4.308904  912.9687       111.0651 829.6886       
177.7668 966.2918       142.2451 60.84427 6.959082 66.65473 5.083087 -5.810459 
8.617807 
1 1 1 -22 4   15 o 62.88840 4.546588  847.1878       116.4001 1036.503       
195.8202 743.7451       144.7488 67.82370 6.876969 57.95309 5.949213 9.870605 
9.093176 
1 1 1 -22 4   16 o 34.88696 6.903847  310.3932       104.5403 285.6190       
166.1449 326.6296       134.5031 33.35680 10.58382 36.41711 8.867644 -3.060307 
13.80769 
1 1 1 -22 4   17 o 54.92555 5.014524  705.1340       112.1652 631.9434       
174.6729 756.4911       146.3183 51.77759 8.035350 58.07352 6.001248 -6.295929 
10.02905 
1 1 1 -22 4   18 o 29.80946 7.008613  227.1880       101.8461 241.6196       
155.2642 216.2889       134.9311 30.46179 10.25304 29.15712 9.558130 1.304663 
14.01723 
1 1 1 -22 4   19 o 30.54026 7.322837  252.1336       112.1096 219.5249       
181.0422 272.4153       142.7790 29.06157 10.93030 32.01895 9.748044 -2.957373 
14.64567 
1 1 1 -22 4   20 o 20.16537 9.448870  -83.29170      201.1354 -83.29170      
201.1354 0.000000       0.000000 20.16537 9.448870 ?        ?        ? ? 
1 1 1 -22 4   21 o 28.84700 7.228909  237.6473       108.9009 180.9797       
207.4823 259.1944       127.9406 26.83227 11.15778 30.86173 9.194148 -4.029463 
14.45782 
1 1 1 -22 4   22 o 24.27602 6.705823  152.4694       100.2260 190.2480       
139.7278 112.4323       143.8437 26.01385 9.638236 22.53820 9.326127 3.475649 
13.41165 
1 1 1 -22 4   23 o 28.96126 7.205934  270.5747       109.1890 252.1766       
156.2693 288.1256       152.6283 27.98676 10.21576 29.93575 10.16563 -1.948988 
14.41187 
1 1 1 -22 5   1  o 58.67255 4.959765  750.1276       119.2696 721.8966       
188.1720 769.0856       154.2007 57.53453 7.790180 59.81057 6.140862 -2.276039 
9.919531 
1 1 1 -22 5   2  o 62.41172 5.454919  767.6564       119.7869 1008.075       
265.4814 706.1981       134.2271 67.39743 9.382354 57.42601 5.567404 9.971420 
10.90984 
1 1 1 -22 5   3  o 113.1299 4.349258  2769.118       192.5499 2710.540       
338.0004 2797.261       234.2824 111.7228 7.206037 114.5370 4.872085 -2.814209 
8.698516 
1 1 1 -22 5   4  o 35.20895 6.873382  290.4419       110.4807 171.0089       
164.5050 388.5709       149.1131 29.21318 10.49930 41.20473 8.873451 -11.99155 
13.74676 
1 1 1 -22 5   5  o 56.13953 5.000932  695.2059       112.4687 648.3613       
185.6600 722.3614       141.3573 54.30924 8.142649 57.96981 5.808146 -3.660572 
10.00186 
1 1 1 -22 5   6  o 79.76855 3.583520  1363.252       118.9919 1345.285       
179.6528 1377.294       158.8252 79.19726 5.403123 80.33984 4.708793 -1.142586 
7.167041 
1 1 1 -22 5   7  o 97.68469 4.041158  2055.349       156.5362 2052.848       
269.3087 2056.625       192.3703 97.23065 6.597332 98.13873 4.668943 
-0.9080811     8.082315 
1 1 1 -22 5   8  o 56.57991 4.833382  695.2360       112.2614 714.9045       
179.3912 682.5755       143.9265 57.01680 7.494095 56.14302 6.106132 0.8737869 
9.666763 
1 1 1 -22 5   9  o 76.12046 4.161385  1190.532       126.1173 1461.322       
224.4164 1065.534       152.4719 81.84932 6.530714 70.39160 5.159291 11.45772 
8.322770 
1 1 1 -22 5   10 o 105.3786 3.820264  2416.463       162.6144 2330.003       
266.3132 2467.865       205.3396 103.4350 6.132620 107.3223 4.557261 -3.887245 
7.640527 
1 1 1 -22 5   11 o 54.77129 4.647835  626.0142       103.1126 791.5313       
176.4372 540.1608       127.0713 59.81287 7.026137 49.72972 6.086287 10.08315 
9.295671 
1 1 1 -22 5   12 o 20.80626 5.941508  25.67850       91.87785 -162.1947      
154.2787 128.9272       114.3710 16.87301 8.020419 24.73952 8.768064 -7.866508 
11.88302 
1 1 1 -22 5   13 o 33.09209 6.479736  271.8879       104.3658 97.93289       
160.2575 399.9965       137.5273 24.90504 10.01306 41.27914 8.227189 -16.37410 
12.95947 
1 1 1 -22 5   14 o 57.34026 4.941824  736.8335       114.0725 747.6011       
190.1587 730.7805       142.5746 57.11922 7.929667 57.56130 5.899737 
-0.4420815     9.883649 
1 1 1 -22 5   15 o 38.06327 6.283085  374.1081       104.9164 203.1985       
162.4216 496.4810       137.4368 29.29783 10.44226 46.82870 6.990561 -17.53087 
12.56617 
1 1 1 -22 5   16 o 53.62849 5.066200  672.3582       110.3843 581.9070       
170.7165 737.3438       144.7028 49.79239 8.166455 57.46459 5.997879 -7.672203 
10.13240 
1 1 1 -22 5   17 o 26.09975 6.917464  147.1390       101.7364 199.4350       
158.3149 110.3506       132.7831 28.54665 10.29589 23.65286 9.241211 4.893787 
13.83493 
1 1 1 -22 5   18 o 37.11109 6.717129  365.3820       106.7084 287.1183       
161.1411 426.5052       142.4063 32.74895 10.42651 41.47324 8.471555 -8.724289 
13.43426 
1 1 1 -22 5   19 o 33.34147 7.109758  295.0831       105.8257 332.5969       
169.3892 271.0675       135.5305 34.61596 10.63365 32.06697 9.440347 2.548992 
14.21952 
1 1 1 -22 5   20 o 50.90166 6.756627  690.4762       121.6382 647.2034       
237.2433 705.9084       141.6771 46.46581 12.05902 55.33751 6.098194 -8.871700 
13.51325 
1 1 1 -22 5   21 o 44.23565 10.70191  565.7947       196.8798 0.000000       
0.000000 565.7947       196.8798 ?        ?        44.23565 10.70191 ? ? 
1 1 1 -22 5   22 o 30.06452 7.078499  274.2514       105.8459 239.6895       
156.4741 303.4070       143.7157 28.14741 10.22754 31.98164 9.788669 -3.834232 
14.15700 
1 1 1 -22 5   23 f 30.28555 6.613636  265.4982       113.9781 45.62605       
160.7645 487.7103       161.6178 20.12160 9.056955 40.44950 9.640139 -20.32790 
13.22727 
1 1 1 -22 6   1  o 91.35990 4.699099  1785.491       159.3790 1853.110       
310.0141 1761.198       185.8151 91.88219 8.036577 90.83762 4.872326 1.044571 
9.398198 
1 1 1 -22 6   2  o 48.58589 6.881389  506.8780       127.4351 660.2926       
232.1961 440.7496       152.4458 53.13737 10.78383 44.03441 8.551207 9.102959 
13.76278 
1 1 1 -22 6   3  o 42.36951 6.494243  443.1897       114.9626 238.8094       
179.5128 585.2931       149.6850 32.82055 11.02465 51.91846 6.867166 -19.09791 
12.98849 
1 1 1 -22 6   4  o 56.96238 5.131444  710.1816       121.6558 689.0220       
182.7153 727.0322       163.0531 56.04099 7.765873 57.88377 6.709550 -1.842785 
10.26289 
1 1 1 -22 6   5  o 62.13301 5.014349  874.2440       125.3433 663.4084       
189.2438 1039.023       167.3016 54.79460 8.226310 69.47142 5.736078 -14.67682 
10.02870 
1 1 1 -22 6   6  o 60.07254 4.505181  796.9832       110.8178 611.2719       
158.7896 973.3188       154.7294 52.87041 7.153694 67.27467 5.478255 -14.40425 
9.010362 
1 1 1 -22 6   7  o 34.36195 6.953035  261.3347       106.7016 376.9604       
166.8743 181.3662       138.7783 39.94631 9.970762 28.77759 9.693435 11.16872 
13.90607 
1 1 1 -22 6   8  o 49.77068 5.639726  563.7511       111.6491 524.8524       
175.8179 590.0377       144.5314 47.56531 9.129993 51.97605 6.623385 -4.410740 
11.27945 
1 1 1 -22 6   9  f 81.84486 4.051466  1404.723       135.2729 1652.008       
225.4054 1265.530       169.1121 87.08728 6.164966 76.60246 5.258392 10.48483 
8.102931 
1 1 1 -22 6   10 f 108.6837 3.820095  2461.209       160.7025 2810.140       
298.2810 2318.504       190.7542 113.3336 6.268850 104.0337 4.367381 9.299896 
7.640189 
1 1 1 -22 6   11 o 27.60381 6.541736  157.6826       103.7206 -20.08920      
163.2784 277.9492       134.2981 21.08128 9.328148 34.12633 9.174033 -13.04505 
13.08347 
1 1 1 -22 6   12 o 89.26534 3.955893  1783.691       142.6514 1541.321       
225.1662 1946.195       184.3728 83.52599 6.421001 95.00469 4.622457 -11.47871 
7.911786 
1 1 1 -22 6   13 o 41.95045 6.192727  423.9668       105.4894 369.9788       
164.7105 461.5119       137.3566 38.63023 10.05838 45.27067 7.226924 -6.640442 
12.38545 
1 1 1 -22 6   14 o 32.60393 7.046731  248.6409       105.2184 352.4633       
167.8302 181.4084       135.0560 37.32792 10.35359 27.87994 9.561840 9.447983 
14.09346 
1 1 1 -22 6   15 o 40.02949 6.096678  389.1288       99.47934 384.8262       
141.2552 393.3626       140.1217 39.75712 8.701585 40.30185 8.541683 
-0.5447311     12.19336 
1 1 1 -22 6   16 o 71.39182 4.615166  1165.177       132.3909 1106.880       
217.2951 1199.593       166.9568 69.13823 7.486050 73.64542 5.399824 -4.507187 
9.230332 
1 1 1 -22 6   17 o 18.67033 5.994880  -37.13632      101.0326 -33.83324      
153.9753 -39.63368      133.8852 19.37861 8.785268 17.96206 8.159253 1.416555 
11.98976 
1 1 1 -22 6   18 o 41.90463 6.203705  457.8824       106.2342 328.1678       
162.4904 554.7191       140.3956 34.87882 10.35548 48.93044 6.834321 -14.05162 
12.40741 
1 1 1 -22 6   19 o 28.52486 7.081041  214.8194       105.0934 189.9366       
165.4627 231.6452       136.0626 27.44724 10.41480 29.60248 9.596690 -2.155239 
14.16208 
1 1 1 -22 6   20 o 25.38719 6.920323  157.1661       103.6271 133.8871       
170.8258 170.7206       130.3504 24.88256 10.21227 25.89182 9.342010 -1.009260 
13.84065 
1 1 1 -22 6   21 o 77.67159 4.588484  1451.545       137.8706 1358.845       
240.2621 1497.055       168.3460 73.89239 7.744737 81.45078 4.922987 -7.558395 
9.176969 
1 1 1 -22 6   22 o 86.91666 5.998037  1798.572       218.8725 0.000000       
0.000000 1798.572       218.8725 ?        ?        86.91666 5.998037 ? ? 
1 1 1 -22 6   23 o 18.93833 6.089075  11.97086       107.5420 -43.83931      
154.9248 63.87172       149.4003 17.59356 8.252560 20.28310 8.955590 -2.689539 
12.17815 
1 1 1 -22 7   1  o 55.90940 6.622833  701.4418       136.1658 733.6881       
255.8734 688.7018       160.8302 55.56249 11.36125 56.25632 6.809532 
-0.6938248     13.24567 
1 1 1 -22 7   2  o 41.08922 6.947309  430.3193       121.6716 229.3198       
210.9191 530.5655       148.9540 32.91296 11.88263 49.26548 7.201627 -16.35252 
13.89462 
1 1 1 -22 7   3  o 94.12405 4.374692  1930.081       170.8548 1821.251       
257.5473 2015.622       228.3326 91.49110 6.705007 96.75702 5.620908 -5.265923 
8.749384 
1 1 1 -22 7   4  o 80.28947 4.181510  1378.684       138.0678 1461.248       
221.0646 1325.881       176.7884 82.03839 6.418345 78.54057 5.361433 3.497826 
8.363021 
1 1 1 -22 7   5  o 81.11938 4.701231  1451.824       157.4353 1309.136       
237.6054 1563.494       210.1992 77.19974 7.330973 85.03903 5.887540 -7.839294 
9.402462 
1 1 1 -22 7   6  o 74.24347 4.083772  1195.410       124.9524 1172.507       
195.0835 1211.342       162.7087 73.42070 6.328825 75.06624 5.162823 -1.645538 
8.167543 
1 1 1 -22 7   7  o 25.29823 6.072190  63.91769       104.2210 -225.9499      
159.8533 278.2349       137.4517 16.18796 7.815697 34.40851 9.295206 -18.22056 
12.14438 
1 1 1 -22 7   8  o 29.95655 5.852906  165.4227       107.0564 -167.9118      
163.8937 413.4973       141.3882 17.55955 8.308745 42.35356 8.245651 -24.79401 
11.70581 
1 1 1 -22 7   9  o 16.64598 5.524471  -114.7451      94.31754 -117.0782      
155.4411 -113.3855      118.6571 18.02852 8.404771 15.26343 7.172095 2.765091 
11.04894 
1 1 1 -22 7   10 o 31.94908 7.053827  242.0205       104.0904 242.7232       
160.3848 241.5092       136.8197 32.01404 10.42074 31.88412 9.509684 0.1299171 
14.10765 
1 1 1 -22 7   11 o 44.33361 5.872419  477.7259       100.7952 376.5222       
165.7670 537.0942       126.9628 39.22931 10.02615 49.43791 6.116987 -10.20860 
11.74484 
1 1 1 -22 7   12 o 59.74513 5.051214  831.0247       119.8127 681.9776       
191.9673 926.1326       153.3465 54.44780 8.397846 65.04246 5.615625 -10.59465 
10.10243 
1 1 1 -22 7   13 o 67.75809 4.303676  994.1584       115.3180 1084.984       
203.2449 951.0378       140.0420 69.44068 6.971507 66.07549 5.048228 3.365189 
8.607352 
1 1 1 -22 7   14 o 87.33879 4.000455  1663.268       142.0971 1768.007       
234.3423 1602.365       178.6967 88.99596 6.271933 85.68163 4.967639 3.314339 
8.000911 
1 1 1 -22 7   15 o 39.89069 6.602213  388.7389       107.2229 449.4141       
169.4725 348.2396       138.4578 42.22433 9.749870 37.55705 8.904880 4.667274 
13.20443 
1 1 1 -22 7   16 o 51.20947 5.144284  598.3678       106.9834 639.4498       
176.7676 574.6219       134.3914 52.01550 8.094520 50.40345 6.350857 1.612045 
10.28857 
1 1 1 -22 7   17 o 22.23580 6.403219  27.22179       101.8099 193.4391       
156.6568 -94.31299      133.9557 28.02876 10.22868 16.44284 7.705769 11.58593 
12.80644 
1 1 1 -22 7   18 f 49.88657 5.362701  584.3664       111.1909 643.3792       
172.3678 542.3079       145.5159 51.74115 7.934895 48.03198 7.216073 3.709175 
10.72540 
1 1 1 -22 7   19 o 27.28557 7.079836  189.6924       105.2725 205.0807       
162.9586 178.6709       137.9119 28.00694 10.40227 26.56420 9.606724 1.442743 
14.15967 
1 1 1 -22 7   20 o 77.58362 4.487333  1386.197       138.2774 1469.976       
238.8172 1343.945       169.5987 78.06793 7.286416 77.09930 5.239540 0.9686279 
8.974667 
1 1 1 -22 7   21 o 23.32663 6.428199  35.92892       96.89208 309.6604       
171.3266 -92.78878      117.4847 31.84320 10.77034 14.81006 7.020459 17.03315 
12.85640 
1 1 1 -22 7   22 o 24.91728 6.440288  156.8207       97.09716 36.76426       
135.5247 283.4417       139.1805 19.18923 8.493741 30.64533 9.683264 -11.45610 
12.88058 
1 1 1 -22 7   23 o 28.06002 7.255686  257.5192       113.0926 207.2215       
159.9431 307.8094       159.9311 25.67906 10.11411 30.44098 10.40599 -4.761915 
14.51137 
1 1 1 -22 8   1  o 29.78723 7.517778  61.84385       122.8702 414.1474       
233.4486 -73.14602      144.5051 41.08123 12.45624 18.49323 8.420806 22.58801 
15.03556 
1 1 1 -22 8   2  o 32.03374 7.337146  220.7476       105.1227 281.4763       
194.0009 195.5046       125.0770 34.74884 11.46090 29.31863 9.164201 5.430218 
14.67429 
1 1 1 -22 8   3  o 30.65316 6.626283  213.2286       93.89724 260.1589       
137.5765 172.3043       128.4720 33.34408 9.415196 27.96225 9.326551 5.381836 
13.25257 
1 1 1 -22 8   4  o 30.01571 7.125234  187.4217       107.5896 282.2916       
165.6234 118.1610       141.5145 34.56438 10.49417 25.46704 9.640965 9.097340 
14.25047 
1 1 1 -22 8   5  o 54.19140 5.017265  641.3293       113.0814 683.3715       
174.1624 610.6877       148.6851 55.58083 7.463637 52.80197 6.707155 2.778862 
10.03453 
1 1 1 -22 8   6  o 59.04829 4.643722  779.7686       109.8002 702.4142       
179.2805 826.2000       138.8980 56.24195 7.592657 61.85462 5.348660 -5.612667 
9.287443 
1 1 1 -22 8   7  o 46.06929 5.698624  480.2228       102.8317 490.8338       
172.3729 474.3599       128.1288 45.64639 9.317045 46.49218 6.564293 
-0.8457909     11.39725 
1 1 1 -22 8   8  o 100.2749 3.978644  2172.526       152.6529 2216.296       
281.4460 2154.282       181.7019 100.2824 6.684847 100.2673 4.316394 
0.1507568E-01  7.957288 
1 1 1 -22 8   9  o 48.84515 5.901377  562.6453       113.1806 490.6867       
180.3866 609.3661       145.3513 45.14555 9.792440 52.54476 6.588863 -7.399204 
11.80275 
1 1 1 -22 8   10 o 30.47561 6.760592  221.2197       106.0393 78.21563       
166.5541 318.6974       137.5098 24.48681 10.07250 36.46441 9.020378 -11.97760 
13.52118 
1 1 1 -22 8   11 o 17.75055 5.756705  -96.51933      102.4077 -234.6976      
159.5202 0.3513193      133.5648 15.80789 7.667592 19.69322 8.588752 -3.885332 
11.51341 
1 1 1 -22 8   12 o 18.43031 5.924443  -55.29747      100.4371 -100.0578      
155.6334 -23.35180      131.4807 18.19186 8.453447 18.66875 8.302730 
-0.4768982     11.84889 
1 1 1 -22 8   13 o 42.84510 6.336384  445.5965       108.9760 444.7848       
169.3850 446.1697       142.3479 42.30663 9.732914 43.38358 8.115998 -1.076946 
12.67277 
1 1 1 -22 8   14 o 31.01105 7.117635  242.1065       106.8122 206.0562       
165.5110 267.8363       139.8269 29.32387 10.53213 32.69823 9.576909 -3.374363 
14.23527 
1 1 1 -22 8   15 o 34.56643 7.012044  307.4873       106.2996 299.6042       
166.0114 312.9654       138.3907 33.86665 10.55225 35.26621 9.237160 -1.399559 
14.02409 
1 1 1 -22 8   16 o 25.76090 6.343510  63.82654       97.44622 338.7166       
163.7647 -86.85609      121.2474 35.77960 10.32746 15.74220 7.369123 20.03740 
12.68702 
1 1 1 -22 8   17 o 58.73360 4.642422  780.9390       109.2377 832.7945       
185.9730 753.6234       134.9768 59.47218 7.448299 57.99501 5.543570 1.477169 
9.284843 
1 1 1 -22 8   18 f 25.22775 6.397902  153.1053       85.60756 164.4541       
131.3106 144.7159       112.8994 25.90391 9.373387 24.55160 8.710464 1.352312 
12.79580 
1 1 1 -22 8   19 o 31.56440 7.191259  271.7903       106.6243 304.4830       
168.3304 249.8837       137.7921 32.72542 10.67574 30.40337 9.637704 2.322044 
14.38252 
1 1 1 -22 8   20 f 21.86232 6.200430  56.22009       105.2470 -189.1577      
173.8197 198.2549       132.2449 16.58799 8.033695 27.13664 9.446749 -10.54865 
12.40086 
1 1 1 -22 8   21 f 18.59910 5.896919  9.090188       95.41688 14.45971       
138.1719 4.195251       131.9245 18.91594 8.459148 18.28226 8.218116 0.6336784 
11.79384 
1 1 1 -22 8   22 o 24.97969 6.631963  173.5047       97.80610 251.7270       
141.0503 101.0615       135.7399 28.56536 9.772460 21.39402 8.968319 7.171335 
13.26393 
1 1 1 -22 9   1  o 76.60491 4.905732  1310.573       148.7797 1233.673       
251.8778 1351.781       184.3832 74.20818 8.084614 79.00165 5.559123 -4.793472 
9.811464 
1 1 1 -22 9   2  f 22.85051 6.606007  36.80848       100.3226 136.8300       
163.4662 -23.62885      127.0673 27.06469 10.32773 18.63633 8.239864 8.428352 
13.21201 
1 1 1 -22 9   3  o 34.76057 6.586909  294.6663       110.8879 94.12326       
168.6086 447.5169       147.2006 25.47432 10.25874 44.04683 8.264853 -18.57252 
13.17382 
1 1 1 -22 9   4  f 25.57569 6.906989  89.69673       107.0730 213.3086       
166.6061 2.716526       139.7561 30.73676 10.61250 20.41463 8.843121 10.32214 
13.81398 
1 1 1 -22 9   5  o 92.79746 4.078607  1921.068       154.0460 1610.536       
235.8224 2152.201       203.4522 85.60939 6.561221 99.98553 4.846702 -14.37614 
8.157214 
1 1 1 -22 9   6  o 28.57904 7.042651  179.9315       106.7042 110.8907       
162.2788 232.5173       141.6260 25.76677 10.17531 31.39130 9.739552 -5.624527 
14.08530 
1 1 1 -22 9   7  o 23.39399 6.258470  91.28262       89.02982 12.60117       
131.6320 157.6239       120.8697 20.14096 8.650810 26.64701 9.046395 -6.506048 
12.51694 
1 1 1 -22 9   8  o 45.50430 5.654469  411.8439       100.0381 802.1157       
176.6714 227.6580       121.3699 60.02884 7.010152 30.97976 8.874110 29.04908 
11.30894 
1 1 1 -22 9   9  o 20.15988 6.107939  -16.40445      101.3780 -179.6086      
159.5330 94.14064       131.2970 16.84601 8.053054 23.47376 9.185640 -6.627754 
12.21588 
1 1 1 -22 9   10 o 20.78812 6.160611  -0.3564970     101.4071 -170.3884      
157.2501 120.6963       132.6823 16.81672 8.028565 24.75952 9.346372 -7.942801 
12.32122 
1 1 1 -22 9   11 o 71.49616 4.605065  1140.141       132.8530 1137.908       
219.5171 1141.431       166.8862 70.84458 7.380448 72.14774 5.509582 -1.303162 
9.210131 
1 1 1 -22 9   12 o 43.62399 5.427099  433.6761       95.94993 558.5916       
145.7291 338.0846       127.4817 49.71228 6.982381 37.53569 8.310232 12.17659 
10.85420 
1 1 1 -22 9   13 f 53.62250 5.361156  617.8986       112.9022 946.0835       
188.9303 435.6002       140.8102 64.53509 6.973115 42.70992 8.145160 21.82517 
10.72231 
1 1 1 -22 9   14 o 27.80970 7.086751  181.6183       104.6117 192.2979       
164.2981 174.3366       135.6662 28.48115 10.46721 27.13824 9.556445 1.342909 
14.17350 
1 1 1 -22 9   15 o 21.27934 6.336239  1.956732       102.4882 153.0598       
157.7104 -108.5027      134.8420 26.32365 10.11535 16.23503 7.633569 10.08862 
12.67248 
1 1 1 -22 9   16 o 38.77900 6.334746  401.7797       101.3735 286.7775       
171.4714 463.5720       125.6915 32.63713 10.77489 44.92088 6.664672 -12.28374 
12.66949 
1 1 1 -22 9   17 o 27.76091 6.890776  178.2000       97.82742 277.4587       
161.9585 121.1828       122.7503 31.97866 10.47174 23.54316 8.959571 8.435501 
13.78155 
1 1 1 -22 9   18 o 18.49087 5.848126  -12.17911      94.88877 -95.40443      
155.7377 36.95745       119.6654 17.59025 8.255179 19.39149 8.285790 -1.801247 
11.69625 
1 1 1 -22 9   19 o 20.22402 6.300200  26.15928       104.0992 -10.89628      
161.7147 52.37919       136.0312 19.83079 8.996134 20.61725 8.822680 
-0.7864628     12.60040 
1 1 1 -22 9   20 o 41.80372 6.602616  491.5609       113.4048 398.1321       
182.6802 550.1406       144.6522 36.14877 11.03051 47.45868 7.259895 -11.30991 
13.20523 
1 1 1 -22 9   21 o 17.39369 5.663247  -36.43047      96.34655 22.83157       
140.6820 -88.77805      132.2205 19.10243 8.539274 15.68496 7.441120 3.417464 
11.32649 
1 1 1 -22 9   22 o 42.74137 6.122857  509.5652       105.9685 512.6821       
154.3802 506.7883       145.7189 42.50949 8.933436 42.97326 8.375632 
-0.4637604     12.24571 
1 1 1 -22 10  1  o 28.49710 7.374125  174.0318       115.5272 122.9935       
187.7314 205.1410       146.5660 27.18362 10.87545 29.81058 9.961701 -2.626961 
14.74825 
1 1 1 -22 10  2  o 69.00864 4.473468  1014.537       126.1782 1188.872       
208.9526 914.4812       158.2985 73.29411 6.790468 64.72316 5.825566 8.570953 
8.946937 
1 1 1 -22 10  3  o 35.42679 6.394485  298.6776       97.63114 388.9496       
139.7751 212.6768       136.4283 40.72957 8.456485 30.12401 9.594040 10.60557 
12.78897 
1 1 1 -22 10  4  o 52.68692 5.375992  620.5201       118.4004 650.0993       
177.2921 596.7081       159.0725 53.69612 7.864436 51.67772 7.331837 2.018406 
10.75198 
1 1 1 -22 10  5  o 34.65017 6.749748  303.0382       103.6887 203.6484       
172.5066 359.2576       129.7413 30.10491 10.75839 39.19542 8.154346 -9.090508 
13.49950 
1 1 1 -22 10  6  o 39.18320 6.326224  396.6444       110.7365 160.8860       
172.5642 561.6953       144.3863 28.09661 10.64334 50.26979 6.841321 -22.17319 
12.65245 
1 1 1 -22 10  7  o 58.09586 4.948780  771.9583       116.9581 648.0079       
178.6736 864.8898       154.7098 53.39588 7.970282 62.79583 5.868245 -9.399948 
9.897559 
1 1 1 -22 10  8  o 31.04150 6.744851  236.7263       96.00900 186.5145       
165.6539 262.1242       117.8142 28.93582 10.52236 33.14718 8.441090 -4.211361 
13.48970 
1 1 1 -22 10  9  o 82.91794 4.131747  1549.062       138.4496 1354.999       
219.0379 1678.182       178.6670 77.88351 6.698765 87.95235 4.838581 -10.06884 
8.263494 
1 1 1 -22 10  10 o 51.44867 4.679080  601.1124       99.07802 487.8092       
143.2278 705.0816       137.2014 46.34891 7.360528 56.54842 5.779084 -10.19951 
9.358161 
1 1 1 -22 10  11 o 25.22101 6.589072  118.0586       103.3998 -28.28431      
159.8295 223.3927       135.5987 20.23093 9.071269 30.21109 9.559057 -9.980164 
13.17814 
1 1 1 -22 10  12 o 23.90176 6.776915  97.83058       104.3119 54.49453       
163.1696 127.7822       135.6516 22.93802 9.734086 24.86550 9.431537 -1.927477 
13.55383 
1 1 1 -22 10  13 o 73.20914 3.815730  1198.882       115.5212 1004.698       
167.0453 1376.877       159.9301 67.07282 5.932103 79.34546 4.800972 -12.27264 
7.631459 
1 1 1 -22 10  14 o 36.75199 6.179631  359.5278       108.6748 115.8768       
166.4616 540.5154       143.4678 25.04969 10.14956 48.45430 7.052502 -23.40461 
12.35926 
1 1 1 -22 10  15 o 31.79120 6.986279  242.7113       107.3834 392.6348       
167.4634 138.0170       139.9416 38.53088 10.19310 25.05152 9.556835 13.47936 
13.97256 
1 1 1 -22 10  16 o 39.57051 6.173559  405.3333       96.92134 344.8955       
167.4208 435.7978       118.8646 35.60177 10.49602 43.53925 6.502687 -7.937477 
12.34712 
1 1 1 -22 10  17 o 31.62774 6.354356  276.8185       99.31889 112.2478       
159.9579 380.0708       126.7009 24.10917 9.886323 39.14631 7.985735 -15.03713 
12.70871 
1 1 1 -22 10  18 o 27.50947 6.968223  191.4081       99.48736 239.9013       
164.5763 163.4827       124.8899 29.49142 10.51129 25.52751 9.150808 3.963911 
13.93645 
1 1 1 -22 10  19 o 24.89080 6.953525  145.1821       106.2502 188.8806       
165.6442 114.6341       138.4952 26.71496 10.34532 23.06663 9.294106 3.648335 
13.90705 
1 1 1 -22 10  20 o 21.08982 6.316140  60.61961       105.2554 -81.35221      
171.4134 146.5502       133.3576 18.18111 8.565513 23.99854 9.284745 -5.817434 
12.63228 
1 1 1 -22 10  21 o 28.01480 6.801496  236.2619       100.0683 167.7748       
143.4872 301.1141       139.6275 24.43302 9.593547 31.59659 9.643923 -7.163572 
13.60299 
1 1 1 -22 10  22 o 38.67694 6.527982  438.5811       104.6356 429.8997       
149.8959 446.8318       146.1301 38.00920 9.427271 39.34468 9.032427 -1.335476 
13.05596 
1 1 1 -22 11  1  o 28.22065 6.760351  146.9926       113.1951 -45.47206      
163.7401 323.1697       156.6586 20.21259 9.116796 36.22871 9.984657 -16.01611 
13.52070 
1 1 1 -22 11  2  o 66.71231 4.585821  978.0328       127.0992 1046.096       
196.7374 929.2766       166.5110 68.48631 6.842333 64.93832 6.107495 3.547989 
9.171642 
1 1 1 -22 11  3  o 68.87582 4.892140  1056.454       138.3019 1074.871       
220.2027 1044.456       177.7295 68.93575 7.608503 68.81588 6.151653 0.1198730 
9.784281 
1 1 1 -22 11  4  o 28.26807 7.149487  177.8019       110.5727 105.9746       
170.5413 229.8950       145.2361 25.60010 10.31406 30.93604 9.903572 -5.335943 
14.29897 
1 1 1 -22 11  5  o 25.16584 6.969917  109.0327       106.1827 151.2505       
165.0845 79.24220       138.6747 27.26366 10.38598 23.06802 9.297870 4.195641 
13.93983 
1 1 1 -22 11  6  o 38.94524 6.519692  379.6011       102.9295 318.7599       
171.3962 413.9198       128.7265 35.65079 10.64584 42.23968 7.529382 -6.588890 
13.03938 
1 1 1 -22 11  7  o 34.50423 6.721972  263.6707       100.8289 430.8820       
168.6718 170.6946       125.7753 41.79618 9.776549 27.21229 9.228147 14.58389 
13.44394 
1 1 1 -22 11  8  o 45.27888 5.956870  485.9603       103.7771 472.3630       
179.5373 492.7829       127.1748 43.56001 10.01973 46.99774 6.445329 -3.437729 
11.91374 
1 1 1 -22 11  9  o 37.87752 6.666952  333.8477       105.5988 490.0003       
170.7995 237.2250       134.3543 44.67897 9.401812 31.07608 9.455102 13.60289 
13.33390 
1 1 1 -22 11  10 o 22.45231 6.119906  55.96474       89.60019 186.0703       
133.5577 -50.51523      120.8245 27.97587 9.509362 16.92876 7.706168 11.04711 
12.23981 
1 1 1 -22 11  11 o 29.59080 7.002530  220.1332       108.1492 109.1778       
180.3785 282.4054       135.1318 25.55839 10.49250 33.62321 9.276270 -8.064825 
14.00506 
1 1 1 -22 11  12 f 84.35425 4.674738  1620.763       158.0058 1585.616       
263.1107 1640.587       197.6055 82.64323 7.583198 86.06526 5.468802 -3.422035 
9.349476 
1 1 1 -22 11  13 o 53.49522 5.696176  706.9672       117.6405 561.0536       
183.7264 808.3596       153.1534 47.07154 9.629142 59.91890 6.088127 -12.84737 
11.39235 
1 1 1 -22 11  14 o 26.66883 6.561563  172.1439       92.33067 119.5333       
136.1997 216.8806       125.5946 24.06579 9.368192 29.27186 9.189855 -5.206072 
13.12313 
1 1 1 -22 11  15 o 19.83327 6.254247  -2.939052      105.1760 -34.85170      
165.1600 18.83085       136.4117 19.81809 9.018302 19.84846 8.667909 
-0.3037643E-01 12.50849 
1 1 1 -22 11  16 o 25.18943 6.971621  142.2279       106.2884 147.2814       
163.4020 138.5215       139.9397 25.65258 10.18506 24.72627 9.522528 0.9263058 
13.94324 
1 1 1 -22 11  17 o 25.47437 6.979622  154.2687       105.7936 153.1687       
162.0584 155.0856       139.6578 25.62357 10.15269 25.32516 9.580369 0.2984028 
13.95924 
1 1 1 -22 11  18 o 39.07309 6.739680  429.2246       110.9060 334.2962       
172.5548 496.0419       144.7683 33.80914 10.79202 44.33704 8.076228 -10.52790 
13.47936 
1 1 1 -22 11  19 o 30.32885 6.887224  272.1447       105.1111 177.0709       
173.0338 327.7445       132.3234 25.97430 10.42046 34.68340 9.008292 -8.709103 
13.77445 
1 1 1 -22 11  20 o 23.18237 6.459085  125.7486       98.70481 33.95392       
143.0098 209.2586       136.4037 19.54609 8.679052 26.81865 9.568340 -7.272566 
12.91817 
1 1 1 -22 11  21 o 29.30987 7.257593  279.0758       109.5584 275.3325       
179.5509 281.2962       138.2854 28.42738 10.83085 30.19237 9.663505 -1.764988 
14.51519 
1 1 1 -22 12  1  o 74.52126 4.520278  1266.323       137.4947 991.9067       
201.0102 1507.613       188.4871 66.13744 7.239218 82.90506 5.415290 -16.76762 
9.040556 
1 1 1 -22 12  2  o 51.57222 5.948420  684.7218       114.4948 380.3657       
174.8784 913.0590       151.4724 38.71156 10.49670 64.43288 5.599470 -25.72132 
11.89684 
1 1 1 -22 12  3  o 25.77600 6.944310  133.3441       105.9553 84.67731       
161.2620 170.3130       140.5510 24.17572 9.922241 27.37628 9.718173 -3.200556 
13.88862 
1 1 1 -22 12  4  o 22.12742 6.138016  4.174222       105.3514 -264.1372      
162.9758 196.7711       138.0791 15.47987 7.563842 28.77497 9.668984 -13.29509 
12.27603 
1 1 1 -22 12  5  o 84.18037 4.398333  1562.312       145.6392 1619.331       
255.9877 1535.023       177.0935 84.47898 7.217580 83.88177 5.028705 0.5972137 
8.796666 
1 1 1 -22 12  6  o 20.30183 6.335168  -5.380580      105.1870 -16.84461      
160.3768 3.273739       139.3444 20.61233 9.168387 19.99133 8.745174 0.6210041 
12.67034 
1 1 1 -22 12  7  o 25.92840 7.004766  136.9780       108.3984 81.03910       
165.5563 178.9543       143.4139 24.10393 9.991536 27.75286 9.820193 -3.648935 
14.00953 
1 1 1 -22 12  8  o 26.07009 6.921462  145.7302       104.2716 96.21495       
162.5063 180.3831       135.9473 24.48409 9.989804 27.65609 9.582814 -3.171997 
13.84292 
1 1 1 -22 12  9  o 33.74298 6.483709  238.2311       107.9964 515.8588       
171.2767 55.00660       139.1421 45.74103 9.242369 21.74492 9.095743 23.99611 
12.96742 
1 1 1 -22 12  10 o 26.84519 6.332793  164.4968       90.97320 62.53127       
132.5503 255.3005       125.0851 21.65519 8.956145 32.03518 8.955697 -10.37999 
12.66559 
1 1 1 -22 12  11 o 33.15018 6.816213  270.0818       96.70795 322.6861       
165.4713 242.7925       119.1811 35.05990 10.45836 31.24047 8.744472 3.819426 
13.63243 
1 1 1 -22 12  12 o 19.65375 6.198829  -20.27215      102.2997 39.50755       
161.6815 -60.18156      132.1056 22.03877 9.528604 17.26873 7.931434 4.770039 
12.39766 
1 1 1 -22 12  13 o 58.96727 4.809163  780.6224       111.8127 864.3939       
198.1507 741.4873       135.4349 60.38446 7.816124 57.55008 5.605388 2.834373 
9.618325 
1 1 1 -22 12  14 o 32.56342 6.538552  236.3036       106.7521 488.4174       
167.4877 63.80888       138.5391 43.52362 9.431688 21.60321 9.058360 21.92041 
13.07710 
1 1 1 -22 12  15 o 55.49473 5.412159  728.9078       122.5148 772.9737       
199.4960 702.2255       155.2370 56.05272 8.477321 54.93674 6.730594 1.115971 
10.82432 
1 1 1 -22 12  16 o 30.32877 6.600834  245.1467       95.74565 172.6534       
138.3098 311.8542       132.6755 26.21526 9.606741 34.44227 9.055086 -8.227009 
13.20167 
1 1 1 -22 12  17 o 23.14109 6.455675  103.3802       95.95675 30.85536       
131.4946 185.9951       140.3439 19.60549 8.536385 26.67669 9.686748 -7.071203 
12.91135 
1 1 1 -22 12  18 o 25.52718 6.834406  161.6593       108.4001 50.66733       
163.1535 249.3764       145.0417 21.41439 9.414512 29.63997 9.909763 -8.225571 
13.66881 
1 1 1 -22 12  19 o 27.09938 7.176857  208.6738       107.9254 250.7665       
173.4999 182.1060       137.8395 28.56915 10.70904 25.62961 9.557491 2.939543 
14.35371 
1 1 1 -22 12  20 o 37.34452 6.866247  436.3156       111.4625 344.7122       
179.0258 494.3024       142.4377 31.88128 11.00160 42.80777 8.218651 -10.92649 
13.73249 
1 1 1 -22 12  21 o 19.47320 6.204317  35.68917       101.8767 68.45642       
174.6886 18.80075       125.4120 21.06162 9.462670 17.88477 8.026958 3.176849 
12.40863 
1 1 1 -22 13  1  o 31.91587 7.295138  245.3851       112.8631 347.4994       
173.6510 170.7013       148.5071 36.54367 10.66276 27.28807 9.959002 9.255606 
14.59028 
1 1 1 -22 13  2  o 31.74455 6.692158  245.0853       114.4388 28.61244       
172.8397 414.0621       152.7057 22.53056 9.798022 40.95853 9.118042 -18.42797 
13.38432 
1 1 1 -22 13  3  f 23.89095 6.858062  93.13255       107.7929 53.64242       
170.3360 119.5106       139.2143 23.22679 9.903841 24.55511 9.489257 -1.328320 
13.71612 
1 1 1 -22 13  4  o 24.19376 6.462186  79.08612       107.9566 -137.5252      
168.8852 228.7537       140.3830 18.03124 8.497012 30.35627 9.738591 -12.32503 
12.92437 
1 1 1 -22 13  5  o 37.82275 6.803007  346.0545       109.7649 493.5812       
170.5843 241.8093       143.3942 44.57870 9.407152 31.06680 9.830009 13.51190 
13.60601 
1 1 1 -22 13  6  o 25.22594 6.712333  72.79906       107.5953 275.1400       
167.8727 -68.27422      140.1718 32.70708 10.66122 17.74479 8.158434 14.96229 
13.42467 
1 1 1 -22 13  7  o 34.21864 7.129050  288.2236       112.8504 417.6775       
171.3579 189.0781       149.9626 40.30265 10.13061 28.13462 10.03316 12.16802 
14.25810 
1 1 1 -22 13  8  o 58.32232 4.470904  772.9211       108.4202 688.2380       
157.6404 848.9350       149.3537 54.92602 6.836131 61.71861 5.763960 -6.792587 
8.941808 
1 1 1 -22 13  9  o 17.09593 5.490261  -54.29580      88.09689 -127.5094      
128.8042 10.05869       120.7601 15.37920 7.318910 18.81266 8.185684 -3.433459 
10.98052 
1 1 1 -22 13  10 o 21.17456 6.414652  35.07143       103.9758 -39.51571      
165.2030 83.99775       133.8004 19.89610 9.044621 22.45303 9.098675 -2.556929 
12.82930 
1 1 1 -22 13  11 o 29.51621 7.044587  225.0566       104.7547 180.1460       
166.5162 254.4720       134.7626 27.56479 10.45127 31.46764 9.448585 -3.902853 
14.08917 
1 1 1 -22 13  12 o 21.77395 6.559686  40.57546       104.5158 114.3894       
165.5527 -8.338808      134.7675 24.67065 10.07730 18.87725 8.400358 5.793400 
13.11937 
1 1 1 -22 13  13 o 25.75266 6.959709  119.7856       107.2224 267.9845       
174.0211 29.09460       136.1325 31.36390 10.84445 20.14142 8.726292 11.22247 
13.91942 
1 1 1 -22 13  14 o 37.63567 6.373870  393.8536       102.7958 252.5049       
173.7862 469.9246       127.4908 30.38650 10.80430 44.88485 6.765504 -14.49836 
12.74774 
1 1 1 -22 13  15 o 22.75434 6.537297  82.13404       106.4006 -47.86106      
164.7626 175.1277       139.3548 19.17670 8.828697 26.33199 9.643604 -7.155294 
13.07459 
1 1 1 -22 13  16 o 35.77899 6.889282  334.5573       110.4842 515.1168       
172.2925 208.4527       143.9864 43.72635 9.644232 27.83162 9.840611 15.89473 
13.77856 
1 1 1 -22 13  17 o 67.80862 4.933665  1098.115       138.1473 1158.539       
217.2691 1057.107       178.9879 68.63206 7.540359 66.98518 6.364525 1.646873 
9.867331 
1 1 1 -22 13  18 o 29.09454 7.099081  252.5384       110.0190 174.0877       
167.2948 312.3229       146.0423 25.48023 10.23625 32.70885 9.839051 -7.228624 
14.19816 
1 1 1 -22 13  19 o 21.29188 6.548909  60.06532       108.8149 168.2076       
172.3309 -11.64095      140.3279 24.64067 10.20274 17.94309 8.213222 6.697575 
13.09782 
1 1 1 -22 13  20 o 22.72048 6.702230  131.5046       109.9405 54.75193       
178.4784 178.4350       139.5617 20.85067 9.455260 24.59030 9.501453 -3.739628 
13.40446 
1 1 1 -22 14  1  o 24.27666 6.966279  105.4305       110.3675 98.63351       
165.2277 110.9066       148.3063 24.33283 10.02464 24.22049 9.675889 0.1123428 
13.93256 
1 1 1 -22 14  2  o 29.21530 6.331260  189.2993       108.2456 -53.08160      
163.1785 379.7746       144.6549 19.47667 8.890786 38.95394 9.016281 -19.47728 
12.66252 
1 1 1 -22 14  3  o 37.66451 6.967610  356.7553       111.4388 451.3643       
171.5386 287.6708       146.5838 41.90362 9.896593 33.42540 9.810596 8.478218 
13.93522 
1 1 1 -22 14  4  o 43.61461 6.431328  473.9830       112.8637 475.5122       
173.4499 472.8602       148.6349 43.12355 9.800212 44.10567 8.330892 
-0.9821167     12.86266 
1 1 1 -22 14  5  o 17.21777 5.736777  -114.1436      106.5445 -145.2988      
163.0060 -90.90546      140.7792 17.34894 8.245464 17.08660 7.978395 0.2623329 
11.47355 
1 1 1 -22 14  6  o 24.99875 7.014510  122.8590       108.2256 141.0259       
168.2431 110.0352       141.3531 26.07484 10.34046 23.92267 9.480939 2.152172 
14.02902 
1 1 1 -22 14  7  o 37.04109 7.154475  350.0623       113.1981 429.3611       
178.1769 296.3936       146.5813 40.26954 10.45043 33.81264 9.774180 6.456905 
14.30895 
1 1 1 -22 14  8  f 56.37435 5.360470  758.7213       122.3885 679.4795       
192.6178 812.3749       158.4960 52.94592 8.665327 59.80279 6.312739 -6.856876 
10.72094 
1 1 1 -22 14  9  o 30.76110 6.534914  254.8506       99.93815 113.9275       
165.9116 335.0996       125.2003 24.73610 10.09349 36.78611 8.303119 -12.05001 
13.06983 
1 1 1 -22 14  10 o 28.79280 6.263014  194.2029       106.2562 -53.05618      
165.1246 368.9455       138.8146 19.38472 8.888248 38.20088 8.826121 -18.81616 
12.52603 
1 1 1 -22 14  11 o 62.25665 5.805183  991.5092       134.4514 749.0013       
218.4718 1139.349       170.5801 53.44130 10.10540 71.07199 5.716773 -17.63069 
11.61037 
1 1 1 -22 14  12 o 45.22099 6.271295  498.9695       112.5391 630.5309       
183.3808 419.4868       142.5364 49.70120 9.129592 40.74078 8.600412 8.960426 
12.54259 
1 1 1 -22 14  13 o 23.11421 6.788700  89.89703       106.3228 126.9704       
169.7696 65.97209       136.3812 24.86233 10.18839 21.36610 8.974545 3.496229 
13.57740 
1 1 1 -22 14  14 o 20.43240 6.331448  21.78034       107.0396 -70.08057      
168.6022 83.80400       138.5404 18.81107 8.763303 22.05372 9.140758 -3.242651 
12.66290 
1 1 1 -22 14  15 o 32.37487 7.148520  275.0457       104.0191 384.9479       
177.7501 217.8071       128.2776 36.29266 10.84216 28.45708 9.319495 7.835581 
14.29704 
1 1 1 -22 14  16 o 42.20841 6.625504  481.9176       113.3572 499.6833       
174.2189 468.8745       149.2781 42.21812 9.975368 42.19870 8.722459 
0.1942062E-01  13.25101 
1 1 1 -22 14  17 o 30.70720 7.158312  285.2377       110.6305 218.9810       
167.2101 336.8228       147.5400 27.35343 10.44317 34.06096 9.793162 -6.707533 
14.31662 
1 1 1 -22 14  18 o 15.86033 5.409012  -131.8468      106.4800 -116.7756      
161.0885 -143.5416      141.9009 16.64765 7.990298 15.07301 7.292790 1.574636 
10.81802 
1 1 1 -22 14  19 o 44.19584 6.411819  520.6193       108.6823 684.5821       
195.4252 447.2016       130.7702 47.57407 10.09073 40.81760 7.913455 6.756466 
12.82364 
1 1 1 -22 15  1  o 35.27827 7.256126  335.2714       113.7673 324.3209       
170.5643 344.0479       152.6969 34.45078 10.68829 36.10576 9.816618 -1.654984 
14.51225 
1 1 1 -22 15  2  o 68.78726 4.799489  1094.464       135.7718 1085.028       
213.0110 1100.921       176.2038 67.86601 7.476027 69.70851 6.020750 -1.842499 
9.598979 
1 1 1 -22 15  3  f 22.97233 6.759731  79.48076       107.0336 107.8472       
163.1552 58.04949       141.8151 24.35042 9.984840 21.59423 9.114758 2.756186 
13.51946 
1 1 1 -22 15  4  o 30.50404 7.132000  235.3312       103.9601 290.9758       
168.3132 201.0084       132.1898 32.81416 10.67520 28.19393 9.460538 4.620234 
14.26400 
1 1 1 -22 15  5  o 53.70588 5.626186  714.3364       117.5595 581.2512       
182.2269 809.2104       153.8585 47.73070 9.429195 59.68106 6.140534 -11.95036 
11.25237 
1 1 1 -22 15  6  o 27.62889 6.802798  193.1859       101.9938 99.08000       
165.6742 250.6190       129.4277 24.07312 9.987931 31.18465 9.238694 -7.111528 
13.60560 
1 1 1 -22 15  7  o 26.23134 7.086124  154.3636       106.9172 202.1188       
169.4658 122.7853       137.8051 28.35597 10.59276 24.10672 9.415202 4.249250 
14.17225 
1 1 1 -22 15  8  o 31.19683 6.941578  233.0208       109.5726 407.6677       
167.7624 103.0895       144.7008 38.98917 10.15081 23.40449 9.471170 15.58469 
13.88316 
1 1 1 -22 15  9  o 73.67380 4.849708  1231.170       144.3519 1395.059       
244.3918 1143.357       178.8919 76.49039 7.610282 70.85720 6.013507 5.633194 
9.699415 
1 1 1 -22 15  10 o 48.90015 6.229962  635.4202       118.0076 447.1194       
184.0687 766.8246       153.7654 40.10903 10.72131 57.69127 6.348479 -17.58224 
12.45992 
1 1 1 -22 15  11 o 68.94911 4.578046  1090.083       123.9685 1139.205       
217.9771 1066.598       150.7161 68.92291 7.533008 68.97530 5.204597 
-0.5239105E-01 9.156093 
1 1 1 -22 15  12 o 17.01293 5.663423  -104.5531      106.2111 -188.0605      
164.9819 -45.44810      138.7990 16.27975 7.874381 17.74611 8.141964 -1.466358 
11.32685 
1 1 1 -22 15  13 o 50.61853 6.142976  696.0525       115.5725 504.5159       
191.8966 805.0703       144.7738 41.99660 10.81949 59.24046 5.820933 -17.24386 
12.28595 
1 1 1 -22 15  14 o 27.51869 7.235685  191.3688       110.8151 290.4301       
177.6264 128.2448       141.7924 31.28508 10.94280 23.75230 9.469723 7.532776 
14.47137 
1 1 1 -22 15  15 o 23.25043 6.133349  77.49814       94.02140 267.3279       
140.8708 -74.99335      126.2588 30.62908 9.748393 15.87179 7.445854 14.75730 
12.26670 
1 1 1 -22 15  16 o 15.94983 5.293342  -80.52545      92.31120 -152.7886      
135.8920 -18.60861      125.7882 14.68226 7.109446 17.21741 7.844338 -2.535147 
10.58668 
1 1 1 -22 15  17 o 21.69767 6.498038  90.32455       107.5997 -4.437188      
163.3100 163.0179       143.0355 19.14025 8.802566 24.25510 9.561007 -5.114851 
12.99608 
1 1 1 -22 15  18 o 22.25829 6.684481  110.5223       108.6855 174.2449       
164.3909 61.03947       144.8633 24.43669 10.02179 20.07988 8.848321 4.356812 
13.36896 
1 1 1 -22 16  1  o 46.65202 6.540777  564.2585       124.9745 515.9673       
184.3028 605.3642       170.0390 43.57290 10.23725 49.73113 8.144064 -6.158237 
13.08155 
1 1 1 -22 16  2  o 37.02622 6.835530  395.4765       116.8341 211.6833       
185.9926 515.2689       150.1569 28.50747 10.97828 45.54497 8.147101 -17.03749 
13.67106 
1 1 1 -22 16  3  o 35.61842 6.542841  333.7213       98.76303 323.6948       
143.9486 342.6389       135.7552 34.86650 9.554263 36.37033 8.941540 -1.503834 
13.08568 
1 1 1 -22 16  4  o 67.42696 4.783854  1074.476       131.2383 988.2954       
206.4368 1132.931       170.0174 64.16794 7.662848 70.68597 5.729032 -6.518028 
9.567708 
1 1 1 -22 16  5  o 24.89762 6.751201  83.33492       110.8151 286.5426       
169.4584 -68.48849      146.4746 32.07769 10.71145 17.71756 8.220683 14.36013 
13.50240 
1 1 1 -22 16  6  o 41.44521 6.732032  460.8685       115.4905 374.3687       
170.0587 534.9120       157.3385 36.70106 10.50155 46.18935 8.426061 -9.488289 
13.46406 
1 1 1 -22 16  7  o 53.17786 6.103364  746.0680       123.7325 509.4063       
189.0243 923.4992       163.6699 42.95781 10.54477 63.39791 6.149148 -20.44010 
12.20673 
1 1 1 -22 16  8  o 20.71455 6.084833  39.63432       93.24622 139.6420       
132.6819 -57.96273      131.0730 24.47588 9.314846 16.95321 7.831629 7.522675 
12.16967 
1 1 1 -22 16  9  o 43.94728 6.498154  486.5507       114.4216 616.6085       
183.4564 403.7477       146.3819 48.59004 9.325737 39.30453 9.051776 9.285515 
12.99631 
1 1 1 -22 16  10 o 18.16422 5.960604  -60.79792      107.0486 -48.24554      
167.2507 -69.50860      139.3256 19.22220 8.867159 17.10624 7.967978 2.115957 
11.92121 
1 1 1 -22 16  11 o 31.43589 7.033765  283.2168       109.2547 192.2260       
171.8883 344.8966       141.5204 27.10486 10.52979 35.76692 9.328396 -8.662060 
14.06753 
1 1 1 -22 16  12 o 36.63523 7.175824  363.1927       113.7980 500.4343       
182.2139 275.4341       145.7080 41.99577 10.38050 31.27470 9.910343 10.72108 
14.35165 
1 1 1 -22 16  13 o 20.16536 6.320670  27.98270       106.6809 -10.10514      
166.7880 54.35370       138.7825 19.80693 9.026443 20.52378 8.850243 
-0.7168522     12.64134 
1 1 1 -22 16  14 o 23.52902 6.536684  136.0237       93.93665 145.6277       
139.6631 128.0898       126.9395 24.03905 9.456572 23.01899 9.026971 1.020065 
13.07337 
1 1 1 -22 16  15 o 39.96012 6.746975  484.7003       117.2492 343.9992       
184.8599 579.3977       151.6572 32.18492 11.17237 47.73532 7.567359 -15.55040 
13.49395 
1 1 1 -22 16  16 o 21.94081 6.681057  93.69391       109.9892 156.2070       
172.1841 50.60157       142.9577 24.05291 10.09265 19.82872 8.756970 4.224192 
13.36211 
1 1 1 -22 16  17 o 20.82096 9.025010  83.60612       145.7436 0.000000       
0.000000 83.60612       145.7436 ?        ?        20.82096 9.025010 ? ? 
1 1 1 -22 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -22 17  2  o 26.36072 7.554547  147.6083       134.8706 279.5759       
200.5359 38.61634       182.2450 30.69986 11.51214 22.02158 9.785472 8.678278 
15.10909 
1 1 1 -22 17  3  o 43.17229 6.535565  499.4396       115.9676 429.4466       
176.5681 552.5371       153.7877 38.80688 10.55835 47.53770 7.705564 -8.730812 
13.07113 
1 1 1 -22 17  4  o 36.72256 7.105649  382.5755       114.1624 323.4549       
174.3486 426.9492       151.0470 33.29913 10.86491 40.14598 9.160496 -6.846855 
14.21130 
1 1 1 -22 17  5  o 28.37042 7.236958  216.5572       109.9395 254.5632       
166.3397 187.0770       146.4992 29.98821 10.57957 26.75263 9.877599 3.235588 
14.47392 
1 1 1 -22 17  6  o 40.61458 6.644096  421.2259       108.0355 540.2983       
180.6383 354.9153       134.8019 44.49484 9.925169 36.73431 8.835556 7.760532 
13.28819 
1 1 1 -22 17  7  o 45.89042 6.060404  501.8823       111.5180 752.2032       
185.1161 359.2889       139.7157 55.09673 8.002755 36.68411 9.103292 18.41262 
12.12081 
1 1 1 -22 17  8  o 25.07043 6.828203  144.2813       109.9690 27.22289       
165.4043 237.0144       147.2187 20.96158 9.317726 29.17929 9.983856 -8.217716 
13.65641 
1 1 1 -22 17  9  o 20.49728 6.274372  30.74966       105.8434 -86.91907      
164.0322 114.6931       138.5453 17.95363 8.435157 23.04093 9.290808 -5.087297 
12.54874 
1 1 1 -22 17  10 o 21.44831 6.578964  54.91859       108.0826 107.4870       
170.1905 19.38678       139.9207 23.47595 9.950755 19.42066 8.608923 4.055292 
13.15793 
1 1 1 -22 17  11 o 43.65269 6.394507  540.7330       108.9376 416.6232       
185.9129 605.6276       134.4345 36.74074 11.11110 50.56465 6.332643 -13.82391 
12.78901 
1 1 1 -22 17  12 o 19.69682 6.201973  14.65833       108.1595 -97.69543      
171.5680 88.76097       139.3347 17.82051 8.464687 21.57313 9.066806 -3.752619 
12.40395 
1 1 1 -22 17  13 o 34.72633 6.135915  381.3674       108.7550 114.9524       
182.4542 528.1885       135.4468 23.26079 10.09044 46.19186 6.984325 -22.93107 
12.27183 
1 1 1 -22 17  14 o 33.10489 6.575003  330.5313       100.0166 233.7818       
147.5575 412.7594       136.0338 27.57057 9.940320 38.63921 8.608872 -11.06865 
13.15001 
1 1 1 -22 17  15 o 47.23097 6.391829  675.3039       119.4428 420.0565       
183.2735 863.7628       157.4807 35.06070 11.11515 59.40124 6.314702 -24.34054 
12.78366 
1 1 1 -22 17  16 f 45.81206 10.75535  669.9709       203.5481 0.000000       
0.000000 669.9709       203.5481 ?        ?        45.81206 10.75535 ? ? 
1 1 1 -22 18  1  o 19.18132 6.272127  -39.52022      122.9871 -151.8851      
188.6108 43.59777       162.2179 17.61073 8.499427 20.75191 9.225945 -3.141178 
12.54425 
1 1 1 -22 18  2  f 23.66286 7.138037  118.5754       124.0855 131.8817       
190.4968 108.7686       163.5387 24.32926 10.42683 22.99647 9.751283 1.332788 
14.27607 
1 1 1 -22 18  3  o 23.52930 7.132254  96.45467       124.2427 193.6132       
197.6544 32.98874       159.7483 26.55509 10.95630 20.50351 9.134311 6.051580 
14.26451 
1 1 1 -22 18  4  o 36.29693 7.145289  400.0942       119.2854 277.8089       
181.4867 493.1003       158.2754 30.01286 11.00395 42.58100 9.117774 -12.56814 
14.29058 
1 1 1 -22 18  5  o 27.20715 7.033397  208.2951       110.5368 117.8621       
167.7063 277.7578       146.9812 23.53870 9.922571 30.87559 9.970821 -7.336891 
14.06679 
1 1 1 -22 18  6  o 18.82044 6.064938  -52.33284      109.0256 90.27587       
163.5025 -166.5100      146.2988 22.45768 9.643458 15.18320 7.357825 7.274477 
12.12988 
1 1 1 -22 18  7  o 44.47034 6.603698  557.1990       120.3249 443.3887       
182.5936 644.5559       159.9718 38.06926 10.87810 50.87142 7.490151 -12.80216 
13.20740 
1 1 1 -22 18  8  o 22.33492 6.721277  96.40800       110.2522 86.37418       
165.9604 104.3345       147.5063 22.26978 9.641507 22.40006 9.367155 
-0.1302814     13.44255 
1 1 1 -22 18  9  o 25.90153 7.087712  189.8814       111.4737 147.8208       
171.1537 220.8683       146.9052 24.34541 10.12947 27.45765 9.916470 -3.112240 
14.17542 
1 1 1 -22 18  10 o 20.48201 6.420060  46.54400       108.2102 82.32219       
167.4036 20.86489       141.8227 21.88586 9.579532 19.07816 8.549927 2.807707 
12.84012 
1 1 1 -22 18  11 o 25.20716 7.064423  180.6096       109.7703 206.7187       
169.9304 161.9132       143.7986 26.16200 10.38678 24.25232 9.578052 1.909683 
14.12885 
1 1 1 -22 18  12 o 46.66300 6.483106  636.3867       117.3365 533.7843       
195.2419 694.3960       146.8056 40.27380 11.16600 53.05220 6.591138 -12.77840 
12.96621 
1 1 1 -22 18  13 f 22.28885 6.728472  114.4137       109.4849 145.5365       
172.9423 93.59766       141.4363 23.46994 9.992548 21.10776 9.013231 2.362181 
13.45694 
1 1 1 -22 18  14 o 19.87585 6.092493  66.60255       93.90712 91.75920       
137.1665 44.40937       128.8342 20.85530 8.889857 18.89639 8.333324 1.958916 
12.18499 
1 1 1 -22 19  1  o 17.93158 6.022654  -75.08273      124.4378 -153.2879      
190.0629 -16.40839      164.6280 17.18316 8.345563 18.68000 8.685678 -1.496841 
12.04531 
1 1 1 -22 19  2  o 18.55032 6.088286  -57.71663      122.3987 -255.6688      
189.7992 83.21885       160.1491 15.80624 7.806667 21.29440 9.344778 -5.488164 
12.17657 
1 1 1 -22 19  3  o 20.82521 6.456082  63.33345       114.3973 -85.05570      
198.1022 137.5726       140.1215 18.71491 8.953024 22.93551 9.304158 -4.220600 
12.91216 
1 1 1 -22 19  4  f 39.23331 8.695484  429.2636       139.4370 0.000000       
0.000000 429.2636       139.4370 ?        ?        39.23331 8.695484 ? ? 
1 1 1 -22 19  5  o 22.02525 6.686491  103.3446       112.7449 31.57879       
192.4425 140.8504       139.1208 20.91687 9.592686 23.13362 9.317565 -2.216743 
13.37298 
1 1 1 -22 19  6  o 23.68934 6.827514  150.5065       105.5704 156.5476       
167.9084 146.5572       135.7615 24.02547 10.01697 23.35321 9.280087 0.6722565 
13.65503 
1 1 1 -22 19  7  o 26.44024 7.099392  216.6751       111.6794 161.1647       
168.4273 260.2310       149.1931 24.15681 10.04958 28.72367 10.03053 -4.566851 
14.19878 
1 1 1 -22 19  8  o 24.13702 6.940564  163.9380       112.5239 113.3940       
173.3801 200.7198       147.9045 22.54260 9.808454 25.73144 9.822421 -3.188833 
13.88113 
1 1 1 -22 19  9  o 17.51210 5.724186  -21.98876      99.18885 -37.22798      
137.6975 -5.552985      143.0012 16.96854 7.910583 18.05567 8.275743 -1.087128 
11.44837 
1 1 1 -22 19  10 o 16.42183 5.567358  -98.64024      107.6957 -77.97884      
165.8652 -113.6996      141.6051 17.38350 8.286383 15.46015 7.437592 1.923350 
11.13472 
1 1 1 -22 19  11 o 21.16539 6.440613  83.98104       109.3626 -25.94600      
171.8103 158.8588       141.7990 18.66832 8.744805 23.66247 9.458032 -4.994150 
12.88123 
1 1 1 -21 -31 1  o 27.15114 5.189303  217.9951       65.38445 268.5564       
79.42011 111.6415       115.1854 33.05367 5.939017 21.24860 8.511377 11.80507 
10.37861 
1 1 1 -21 -30 1  o 15.76359 4.985205  -8.804289      63.73582 -30.49594      
77.88156 35.18205       110.9040 13.37668 6.121206 18.15050 7.870191 -4.773822 
9.970409 
1 1 1 -21 -30 2  o 19.40738 4.648296  63.83015       64.09708 180.6291       
78.45516 -170.6170      111.1538 26.33490 6.981432 12.47986 6.138911 13.85504 
9.296593 
1 1 1 -21 -30 3  o 15.38669 4.810827  1.440496       59.06960 -23.35832      
73.72728 45.89397       98.71101 13.11848 5.984542 17.65491 7.534022 -4.536422 
9.621655 
1 1 1 -21 -29 1  o 37.81648 5.674219  341.2231       76.89735 321.5987       
87.76252 406.0861       159.5542 37.47044 5.578808 38.16252 9.882507 
-0.6920853     11.34844 
1 1 1 -21 -29 2  o 19.28475 5.244343  65.87157       70.44353 136.6887       
83.08566 -115.1828      132.8499 23.23093 7.496028 15.33857 7.336356 7.892358 
10.48869 
1 1 1 -21 -29 3  f 31.84065 5.494536  262.0792       69.37504 248.2520       
84.26522 291.1688       122.2219 31.51133 6.583607 32.16997 8.798626 
-0.6586418     10.98907 
1 1 1 -21 -29 4  o 21.67923 5.527260  84.47696       64.43389 20.51334       
77.30949 229.9865       116.6036 15.32085 6.606043 28.03762 8.863555 -12.71677 
11.05452 
1 1 1 -21 -28 1  o 21.40224 6.431430  46.33979       102.2810 123.1793       
153.2981 -15.31016      137.3128 24.23827 9.773230 18.56620 8.362844 5.672073 
12.86286 
1 1 1 -21 -28 2  o 36.69294 5.657509  347.6808       89.86325 187.1193       
126.9853 508.7516       127.1866 26.76760 9.262856 46.61829 6.498394 -19.85069 
11.31502 
1 1 1 -21 -28 3  o 16.62947 5.246705  -61.54162      81.15046 -187.0636      
111.6618 78.96783       118.1402 12.50478 6.151732 20.75416 8.501049 -8.249383 
10.49341 
1 1 1 -21 -28 4  o 20.67412 5.483804  66.04902       75.43411 190.1210       
106.7876 -57.52419      106.5727 26.49058 8.493271 14.85766 6.939220 11.63292 
10.96761 
1 1 1 -21 -28 5  o 22.56985 6.177538  130.1832       80.99700 144.6306       
135.1716 122.0896       101.1720 23.30405 9.260105 21.83564 8.179141 1.468407 
12.35508 
1 1 1 -21 -28 6  o 15.69077 4.989968  -2.922029      69.40350 -17.39225      
100.7851 10.12862       95.71386 15.36148 7.004888 16.02007 7.108494 
-0.6585960     9.979937 
1 1 1 -21 -27 1  o 25.68795 9.452631  156.0268       134.0276 0.000000       
0.000000 156.0268       134.0276 ?        ?        25.68795 9.452631 ? ? 
1 1 1 -21 -27 2  o 33.54839 7.264744  307.3359       111.3632 307.7963       
147.3006 306.7217       170.1395 33.88772 9.798862 33.20906 10.72792 0.6786652 
14.52949 
1 1 1 -21 -27 3  f 32.30328 6.193415  270.2260       91.22769 163.6596       
126.6923 384.9838       131.4713 25.60721 9.212895 38.99936 8.279861 -13.39215 
12.38683 
1 1 1 -21 -27 4  o 20.95006 5.879097  84.04789       76.17050 113.5449       
119.4680 63.84405       98.87345 22.58716 8.777757 19.31296 7.823433 3.274197 
11.75819 
1 1 1 -21 -27 5  o 24.76970 5.917672  160.4287       74.31481 127.1765       
110.3655 188.0114       100.5175 22.83558 8.544859 26.70381 8.189064 -3.868229 
11.83534 
1 1 1 -21 -27 6  o 17.73655 5.538888  11.57887       76.18686 74.17257       
132.8996 -19.06079      92.98233 20.50832 8.746487 14.96478 6.798240 5.543544 
11.07778 
1 1 1 -21 -27 7  o 18.86319 5.428703  57.66823       70.64312 130.9922       
104.2623 -4.561094      96.05101 22.20658 8.306079 15.51978 6.992303 6.686800 
10.85741 
1 1 1 -21 -26 1  o 43.57819 5.439425  448.9145       96.84032 454.1029       
144.8165 444.7176       130.2452 43.22060 8.275993 43.93578 7.060973 
-0.7151871     10.87885 
1 1 1 -21 -26 2  o 45.62059 6.998144  481.9931       134.0364 0.000000       
0.000000 481.9931       134.0364 ?        ?        45.62059 6.998144 ? ? 
1 1 1 -21 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 -26 4  o 28.28250 6.093943  201.1663       81.37737 269.0557       
118.1497 139.8909       112.2470 32.37140 8.560884 24.19359 8.675012 8.177811 
12.18789 
1 1 1 -21 -26 5  o 20.38146 5.879830  67.65480       80.05846 101.5642       
115.9017 36.71201       110.7158 21.99471 8.625527 18.76820 7.993115 3.226513 
11.75966 
1 1 1 -21 -26 6  o 23.24397 6.261197  115.6746       81.88377 188.3194       
139.0132 77.07795       101.3279 26.49110 9.638614 19.99683 7.994214 6.494278 
12.52239 
1 1 1 -21 -26 7  o 17.68723 5.395403  29.33441       74.07977 -9.719126      
111.5924 60.10500       99.05406 16.62689 7.511439 18.74757 7.747244 -2.120680 
10.79081 
1 1 1 -21 -26 8  o 18.66310 5.493254  63.33802       71.18818 71.58162       
102.4873 55.65270       98.95607 19.11094 7.887858 18.21526 7.647553 0.8956814 
10.98651 
1 1 1 -21 -25 1  o 27.26723 6.572651  175.9561       90.13412 178.8115       
131.3216 173.4129       123.9366 27.46716 9.427895 27.06732 9.160446 0.3998394 
13.14530 
1 1 1 -21 -25 2  o 38.46553 6.325086  374.0434       99.53239 327.9728       
155.3657 406.1129       129.6252 35.67889 9.983175 41.25217 7.769366 -5.573284 
12.65017 
1 1 1 -21 -25 3  o 24.83128 6.102880  142.1450       83.18733 56.82122       
130.0253 201.2704       108.2380 21.11912 8.810645 28.54343 8.447079 -7.424316 
12.20576 
1 1 1 -21 -25 4  o 27.88627 11.12492  179.7342       195.8048 0.000000       
0.000000 179.7342       195.8048 ?        ?        27.88627 11.12492 ? ? 
1 1 1 -21 -25 5  f 34.08212 8.807545  298.7625       126.8993 298.7625       
126.8993 0.000000       0.000000 34.08212 8.807545 ?        ?        ? ? 
1 1 1 -21 -25 6  o 30.87896 6.506346  257.2625       92.22163 291.9497       
121.8348 210.7229       141.1229 33.58411 8.602691 28.17382 9.763395 5.410286 
13.01269 
1 1 1 -21 -25 7  o 19.50647 6.026203  -25.60251      102.8647 130.7326       
145.9651 -179.8456      144.9852 23.97161 9.589974 15.04132 7.300199 8.930285 
12.05241 
1 1 1 -21 -25 8  o 24.73843 5.864930  161.6237       76.10507 93.44510       
115.3133 214.2393       101.3007 21.07721 8.485570 28.39966 8.098440 -7.322447 
11.72986 
1 1 1 -21 -25 9  o 23.54957 6.004688  147.0328       81.31834 69.20807       
119.9020 213.3184       110.6566 19.69739 8.350829 27.40175 8.630687 -7.704361 
12.00938 
1 1 1 -21 -25 10 o 20.81443 5.791749  98.83311       77.59874 159.4302       
109.9222 38.63340       109.5611 23.77103 8.578609 17.85783 7.783632 5.913198 
11.58350 
1 1 1 -21 -24 1  o 67.99657 4.148240  1017.128       118.2276 1086.352       
173.1152 956.6193       161.8507 70.15125 5.877883 65.84188 5.855088 4.309364 
8.296479 
1 1 1 -21 -24 2  o 33.16196 7.407424  278.4536       115.5508 260.5224       
164.2148 296.0392       162.6239 32.20216 10.54443 34.12177 10.40648 -1.919601 
14.81485 
1 1 1 -21 -24 3  o 54.84457 4.945652  687.2520       113.3278 762.0097       
160.7352 613.3538       159.8083 58.05903 6.594204 51.63012 7.372542 6.428917 
9.891305 
1 1 1 -21 -24 4  o 22.38498 6.401825  78.79472       95.57909 124.1274       
126.8575 19.27156       145.3629 24.17434 9.134959 20.59562 8.971398 3.578716 
12.80365 
1 1 1 -21 -24 5  o 49.25264 5.176923  577.6743       98.68037 813.4411       
143.5072 366.2014       135.9126 60.23749 5.674502 38.26778 8.660378 21.96971 
10.35385 
1 1 1 -21 -24 6  o 20.70771 9.401730  -21.63308      177.2718 0.000000       
0.000000 -21.63308      177.2718 ?        ?        20.70771 9.401730 ? ? 
1 1 1 -21 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 -24 8  o 19.67098 8.612718  27.94724       135.4043 27.94724       
135.4043 0.000000       0.000000 19.67098 8.612718 ?        ?        ? ? 
1 1 1 -21 -24 9  o 21.26772 6.263514  83.96580       93.03535 61.19300       
140.5421 101.7292       124.1256 20.72347 8.920905 21.81196 8.794538 -1.088491 
12.52703 
1 1 1 -21 -24 10 o 42.80160 5.915913  481.8971       103.6942 600.1334       
159.6876 395.6911       136.3529 47.93739 7.934469 37.66581 8.777033 10.27158 
11.83183 
1 1 1 -21 -24 11 o 26.14423 6.383529  190.5682       88.66672 110.3152       
117.7697 295.5850       134.7200 21.21737 8.561615 31.07110 9.470823 -9.853731 
12.76706 
1 1 1 -21 -23 1  o 33.04318 6.841261  276.0222       105.1047 165.5462       
175.4783 337.8297       131.2532 28.32853 10.73235 37.75783 8.486931 -9.429302 
13.68252 
1 1 1 -21 -23 2  o 48.98167 5.962468  552.5661       119.3824 623.7813       
183.1248 499.9295       157.4364 51.98253 8.390945 45.98082 8.473261 6.001713 
11.92494 
1 1 1 -21 -23 3  o 67.26361 4.392908  972.8902       119.7645 1138.592       
202.7565 884.0952       148.4246 71.14435 6.788213 63.38287 5.577699 7.761478 
8.785815 
1 1 1 -21 -23 4  o 23.05309 6.403353  96.18035       90.73239 83.40833       
135.9157 106.4476       121.8616 22.80341 9.199247 23.30277 8.909857 
-0.4993591     12.80671 
1 1 1 -21 -23 5  o 19.72432 5.803614  13.09466       87.40283 115.0007       
120.0004 -102.0516      127.5580 23.54514 8.888333 15.90350 7.464935 7.641635 
11.60723 
1 1 1 -21 -23 6  o 53.16108 4.632506  651.2810       102.1491 581.2675       
150.1286 711.6366       139.3898 50.07054 7.141708 56.25162 5.902243 -6.181080 
9.265013 
1 1 1 -21 -23 7  o 29.15792 6.446783  200.2758       94.68116 89.79361       
127.0790 338.1298       141.9506 22.21179 8.922194 36.10405 9.307980 -13.89226 
12.89357 
1 1 1 -21 -23 8  o 27.08836 6.905924  182.8406       100.0575 226.0033       
152.8569 150.4807       132.3530 29.08602 10.15334 25.09070 9.363596 3.995319 
13.81185 
1 1 1 -21 -23 9  o 15.10277 7.215216  -119.8101      127.5565 0.000000       
0.000000 -119.8101      127.5565 ?        ?        15.10277 7.215216 ? ? 
1 1 1 -21 -23 10 o 25.61095 9.368997  174.6929       131.4994 0.000000       
0.000000 174.6929       131.4994 ?        ?        25.61095 9.368997 ? ? 
1 1 1 -21 -23 11 o 43.29663 10.79111  583.3184       195.6809 0.000000       
0.000000 583.3184       195.6809 ?        ?        43.29663 10.79111 ? ? 
1 1 1 -21 -23 12 o 30.09870 11.57485  340.4373       206.6037 0.000000       
0.000000 340.4373       206.6037 ?        ?        30.09870 11.57485 ? ? 
1 1 1 -21 -22 1  o 29.35945 7.517472  170.6835       127.8810 42.11489       
186.6560 284.4155       175.5560 24.37281 10.37919 34.34609 10.87759 -9.973282 
15.03494 
1 1 1 -21 -22 2  f 74.55257 4.451736  1240.168       135.6378 1137.638       
212.0916 1311.122       176.4347 71.45774 7.069605 77.64738 5.412255 -6.189644 
8.903473 
1 1 1 -21 -22 3  o 57.05494 5.022148  683.6127       115.3993 904.9530       
201.0693 574.8934       140.9189 63.25332 7.571527 50.85656 6.599989 12.39676 
10.04430 
1 1 1 -21 -22 4  o 75.84831 4.021464  1268.095       127.7965 1217.192       
184.0149 1315.520       177.6179 74.23980 5.903876 77.45682 5.461954 -3.217018 
8.042929 
1 1 1 -21 -22 5  o 55.11601 5.138987  723.6592       110.0188 887.1245       
148.9859 527.6153       163.1583 63.39239 5.597950 46.83963 8.619726 16.55276 
10.27797 
1 1 1 -21 -22 6  o 47.23410 5.316030  541.5084       97.30094 346.4084       
139.6661 725.4983       135.6312 37.31613 9.004929 57.15208 5.652605 -19.83595 
10.63206 
1 1 1 -21 -22 7  o 36.20920 6.078755  326.3749       91.02926 331.7091       
125.4515 320.4433       132.2902 36.69685 8.331152 35.72155 8.854207 0.9752922 
12.15751 
1 1 1 -21 -22 8  o 61.50767 4.340427  863.1194       111.2242 832.3380       
165.6481 888.3900       150.0899 60.17173 6.557147 62.84360 5.688679 -2.671867 
8.680855 
1 1 1 -21 -22 9  o 37.34085 6.206469  358.0325       95.53893 358.6730       
140.5227 357.4819       130.2826 37.12811 9.078300 37.55360 8.465546 
-0.4254951     12.41294 
1 1 1 -21 -22 10 o 20.44373 5.776645  45.89932       82.54353 159.0004       
119.9395 -55.87071      113.7729 25.15719 8.972640 15.73028 7.278064 9.426910 
11.55329 
1 1 1 -21 -22 11 o 40.27749 6.039619  418.2597       94.81782 438.9872       
167.1257 408.4211       115.1427 39.19978 10.09594 41.35519 6.631741 -2.155407 
12.07924 
1 1 1 -21 -22 12 o 16.23186 5.401322  -64.51926      88.73901 -18.68120      
151.0025 -88.70053      109.6757 18.32471 8.442602 14.13900 6.739407 4.185719 
10.80264 
1 1 1 -21 -22 13 o 17.59894 5.703506  -2.769754      92.29206 -6.586468      
154.0563 -0.6331118     115.2658 18.43340 8.505923 16.76448 7.600605 1.668919 
11.40701 
1 1 1 -21 -21 1  o 53.37004 7.229242  663.3916       158.3445 561.6141       
216.6579 780.0875       231.9938 48.23132 10.94761 58.50877 9.444447 -10.27744 
14.45848 
1 1 1 -21 -21 2  o 32.41890 7.448247  234.5861       115.4600 319.0874       
182.6660 178.3625       148.9996 36.26130 11.02317 28.57650 10.01974 7.684792 
14.89649 
1 1 1 -21 -21 3  o 24.55316 6.885812  83.92178       101.6847 154.0758       
173.7609 47.38450       125.3990 27.95398 10.65353 21.15234 8.726967 6.801640 
13.77162 
1 1 1 -21 -21 4  o 47.47812 5.858737  498.2055       106.6520 592.0493       
192.7383 456.7893       128.0415 49.62370 9.593657 45.33254 6.727627 4.291157 
11.71747 
1 1 1 -21 -21 5  o 24.59363 6.822182  101.2896       102.1848 154.0465       
158.2117 63.53059       133.8471 27.10198 10.21305 22.08527 9.047784 5.016714 
13.64436 
1 1 1 -21 -21 6  o 32.60620 6.420048  260.9438       91.32065 236.6623       
127.8747 286.2162       130.4578 31.07047 9.177120 34.14194 8.980453 -3.071480 
12.84010 
1 1 1 -21 -21 7  o 23.25737 5.801532  74.91583       86.78644 -93.46880      
125.3426 229.9802       120.2828 15.99209 7.487249 30.52266 8.864097 -14.53056 
11.60306 
1 1 1 -21 -21 8  o 19.85259 5.679461  -11.13733      85.14259 158.4758       
126.4539 -151.7987      115.1570 25.95338 9.217450 13.75179 6.638049 12.20159 
11.35892 
1 1 1 -21 -21 9  o 38.86436 6.106182  417.5975       100.5300 220.1273       
164.3775 535.5901       127.0630 29.24213 10.49667 48.48658 6.241927 -19.24445 
12.21236 
1 1 1 -21 -21 10 o 36.55543 5.839004  333.4188       87.42811 379.3301       
130.1796 295.6967       117.9998 38.91808 8.221777 34.19278 8.293265 4.725300 
11.67801 
1 1 1 -21 -21 11 o 33.85696 6.717455  317.2009       99.50785 276.2536       
162.9767 341.5383       125.6466 31.23136 10.50460 36.48256 8.375569 -5.251192 
13.43491 
1 1 1 -21 -21 12 o 23.32680 6.165868  59.86270       92.67190 286.7252       
149.8330 -80.68954      117.9356 31.47914 10.05723 15.17446 7.136091 16.30468 
12.33174 
1 1 1 -21 -21 13 o 34.07482 6.515863  346.0605       97.28629 281.8601       
154.9206 387.8631       125.0092 30.02059 10.24169 38.12906 8.058149 -8.108471 
13.03173 
1 1 1 -21 -21 14 o 29.12320 6.514027  265.6861       111.4223 39.20219       
174.8145 420.6463       144.6002 20.31998 9.255103 37.92641 9.169146 -17.60643 
13.02805 
1 1 1 -21 -20 1  o 46.26093 7.130446  492.6239       139.1835 324.7355       
189.9776 687.1484       204.4933 37.04603 11.23761 55.47582 8.780040 -18.42979 
14.26089 
1 1 1 -21 -20 2  o 80.87246 4.525214  1400.819       145.9975 1501.045       
252.1249 1350.256       179.0766 82.58763 7.271462 79.15729 5.388515 3.430344 
9.050428 
1 1 1 -21 -20 3  o 21.01066 6.382442  1.772575       100.4603 59.55904       
157.1694 -38.14522      130.6286 23.59998 9.755990 18.42134 8.231822 5.178642 
12.76488 
1 1 1 -21 -20 4  o 41.46342 6.330103  395.2541       103.6879 449.2094       
173.2570 365.1462       129.4238 43.25440 9.770566 39.67245 8.050893 3.581951 
12.66021 
1 1 1 -21 -20 5  o 25.55030 6.676533  132.1911       96.24223 86.45715       
146.9681 166.5278       127.3453 23.89244 9.595969 27.20816 9.285566 -3.315718 
13.35307 
1 1 1 -21 -20 6  o 27.06080 6.806283  142.9871       100.9711 253.6291       
154.0952 59.73996       133.6638 32.17626 10.19113 21.94534 9.024569 10.23092 
13.61257 
1 1 1 -21 -20 7  o 46.87132 4.583272  485.8375       89.11620 530.9528       
139.1991 454.5036       116.0061 48.53001 6.831988 45.21263 6.111420 3.317387 
9.166543 
1 1 1 -21 -20 8  o 25.91878 6.412663  149.6944       86.80733 201.2196       
129.5122 107.6645       116.9716 28.69838 9.364234 23.13919 8.763567 5.559191 
12.82533 
1 1 1 -21 -20 9  o 19.20733 5.961553  -14.19162      88.90240 72.47115       
151.1300 -60.04877      109.9355 22.77249 9.499507 15.64217 7.205542 7.130320 
11.92311 
1 1 1 -21 -20 10 o 21.87915 6.298750  76.88441       88.63923 100.8980       
145.0760 62.58032       111.9688 23.43536 9.483534 20.32293 8.292140 3.112425 
12.59750 
1 1 1 -21 -20 11 o 24.43707 6.371099  135.1978       88.70886 190.8792       
126.4413 81.22350       124.4881 27.31681 9.252547 21.55733 8.760935 5.759480 
12.74220 
1 1 1 -21 -20 12 o 23.08015 6.621830  90.24596       106.6241 -14.94583      
154.2415 186.5201       147.5588 19.37184 8.786981 26.78846 9.908757 -7.416618 
13.24366 
1 1 1 -21 -20 13 f 35.48257 7.025970  355.4476       108.0959 408.1524       
165.3686 316.1271       142.8361 37.53776 10.22022 33.42739 9.643863 4.110367 
14.05194 
1 1 1 -21 -20 14 o 26.02813 7.102111  202.6080       112.8786 147.8258       
174.2007 242.2581       148.2014 23.97055 10.10914 28.08570 9.978236 -4.115141 
14.20422 
1 1 1 -21 -20 15 o 21.62789 6.508609  96.54391       108.3223 7.590586       
159.3686 172.9276       147.6801 18.98596 8.716517 24.26982 9.668004 -5.283855 
13.01722 
1 1 1 -21 -19 1  o 43.77370 7.931731  469.5521       148.0330 550.4565       
191.4598 349.2980       233.4220 48.87369 9.675038 38.67372 12.57152 10.19997 
15.86346 
1 1 1 -21 -19 2  o 34.89458 6.845170  238.3815       116.5526 496.8424       
182.7276 61.09853       151.3352 46.20274 9.726130 23.58643 9.634720 22.61631 
13.69034 
1 1 1 -21 -19 3  o 84.31391 4.517759  1565.583       154.1458 1464.789       
248.9675 1628.239       196.2941 81.65738 7.262201 86.97044 5.375967 -5.313065 
9.035518 
1 1 1 -21 -19 4  o 57.56369 5.025533  740.9230       118.9288 662.0851       
181.0920 800.7124       157.7045 54.50313 7.914054 60.62426 6.196103 -6.121128 
10.05107 
1 1 1 -21 -19 5  o 59.69598 4.568915  787.9793       112.6475 749.5820       
172.8853 816.3075       148.4967 58.15777 7.080622 61.23419 5.776222 -3.076420 
9.137831 
1 1 1 -21 -19 6  o 32.62128 7.010756  236.2314       101.6977 343.4199       
172.6759 179.3064       125.8372 37.28303 10.55472 27.95954 9.230421 9.323494 
14.02151 
1 1 1 -21 -19 7  o 46.40706 5.965031  522.8176       108.1844 428.0987       
173.7805 582.7543       138.2386 41.58573 10.05057 51.22838 6.427465 -9.642651 
11.93006 
1 1 1 -21 -19 8  o 68.77829 4.887036  982.3217       124.3074 1260.152       
253.6916 894.5405       142.5991 73.68168 8.201016 63.87490 5.317502 9.806778 
9.774073 
1 1 1 -21 -19 9  o 84.60093 4.295822  1610.551       141.3370 1566.414       
249.1714 1631.489       171.6170 82.72366 7.174465 86.47820 4.726881 -3.754532 
8.591644 
1 1 1 -21 -19 10 o 26.69061 6.525761  158.8113       99.66921 25.94068       
148.6454 267.3449       134.3442 20.97027 9.102424 32.41094 9.353507 -11.44067 
13.05152 
1 1 1 -21 -19 11 o 29.10855 6.704418  211.0508       97.82050 134.0298       
135.6756 294.4314       141.1659 24.63989 9.407059 33.57722 9.555320 -8.937328 
13.40884 
1 1 1 -21 -19 12 o 62.30808 5.150310  919.1362       132.1041 928.2401       
207.4352 912.9246       171.3430 61.83862 7.989941 62.77753 6.501047 
-0.9389114     10.30062 
1 1 1 -21 -19 13 o 31.28325 7.291027  273.9416       110.5228 302.3458       
165.7397 251.1962       148.3138 32.46303 10.59327 30.10346 10.02092 2.359568 
14.58205 
1 1 1 -21 -19 14 o 36.87695 7.098348  391.4533       112.1267 399.6468       
172.2233 385.4252       147.7234 36.55801 10.60338 37.19588 9.440052 
-0.6378746     14.19670 
1 1 1 -21 -19 15 o 24.40304 7.054342  165.4993       114.7111 155.4259       
168.2885 174.2415       156.7749 24.07434 10.03225 24.73173 9.920125 
-0.6573849     14.10868 
1 1 1 -21 -18 1  o 70.05415 6.229053  1101.891       178.4074 1203.750       
235.1612 963.7614       273.8466 74.38902 7.529703 65.71927 9.925118 8.669754 
12.45811 
1 1 1 -21 -18 2  o 82.15425 4.528605  1434.200       154.0974 1596.332       
242.8461 1324.913       199.3797 85.85774 6.737095 78.45077 6.053477 7.406975 
9.057209 
1 1 1 -21 -18 3  o 55.38908 6.117812  747.5990       127.2545 466.7838       
196.8583 949.1743       166.7870 44.44037 10.66994 66.33778 5.988558 -21.89742 
12.23562 
1 1 1 -21 -18 4  o 45.60415 6.612842  502.1233       120.8752 373.8048       
192.1355 586.1770       155.5039 39.48984 11.11884 51.71846 7.161711 -12.22862 
13.22568 
1 1 1 -21 -18 5  o 66.06101 4.489563  914.9281       120.9722 1110.222       
202.2893 806.2045       150.9352 71.16552 6.770555 60.95650 5.897819 10.20901 
8.979125 
1 1 1 -21 -18 6  o 86.99689 4.522152  1579.475       146.9124 1842.368       
290.4652 1489.104       170.3015 90.84512 7.615767 83.14867 4.878478 7.696442 
9.044305 
1 1 1 -21 -18 7  o 21.61566 6.516292  28.06530       103.2037 25.32927       
159.2363 30.04702       135.5195 22.22595 9.529456 21.00537 8.890315 1.220579 
13.03258 
1 1 1 -21 -18 8  o 47.20480 5.360759  481.2225       100.9805 672.8000       
166.8651 370.5217       126.8436 54.63186 7.275126 39.77774 7.875498 14.85412 
10.72152 
1 1 1 -21 -18 9  o 36.43546 6.832467  330.6873       102.9419 324.9740       
176.8949 333.6129       126.5835 35.58393 10.85370 37.28698 8.302263 -1.703056 
13.66493 
1 1 1 -21 -18 10 o 30.01029 7.250989  219.7178       110.5940 271.2356       
161.1758 173.8800       152.0314 32.54962 10.43417 27.47096 10.07152 5.078659 
14.50198 
1 1 1 -21 -18 11 o 43.44795 6.151545  467.7550       108.7895 419.7304       
165.2454 504.4936       144.5303 40.33059 9.834146 46.56531 7.392944 -6.234726 
12.30309 
1 1 1 -21 -18 12 o 27.42244 6.749986  181.2672       99.18377 259.1889       
141.2828 105.5469       139.2728 31.43810 9.722442 23.40678 9.366076 8.031319 
13.49997 
1 1 1 -21 -18 13 o 48.12280 5.991972  591.9783       113.9523 494.5051       
176.0013 662.3287       149.5227 42.95254 9.947628 53.29305 6.682786 -10.34051 
11.98394 
1 1 1 -21 -18 14 o 20.67339 6.461473  17.05161       110.4326 87.54255       
168.3049 -36.24031      146.3393 23.03608 9.834253 18.31071 8.383915 4.725365 
12.92295 
1 1 1 -21 -18 15 o 31.12084 7.348882  288.3452       111.2362 310.5490       
176.4267 273.6947       143.3098 31.56026 10.91849 30.68143 9.839252 0.8788261 
14.69776 
1 1 1 -21 -18 16 o 21.75969 6.666538  95.37860       110.6096 116.7248       
173.9759 80.89639       143.3001 22.70506 9.851347 20.81431 8.984536 1.890753 
13.33308 
1 1 1 -21 -17 1  o 34.91261 8.255849  257.9615       151.8069 383.5162       
205.8034 108.1172       224.8309 40.58895 11.53310 29.23626 11.81625 11.35270 
16.51170 
1 1 1 -21 -17 2  o 105.3693 4.458808  2327.334       192.7788 2674.942       
314.9418 2119.056       243.7852 111.3184 6.738830 99.42017 5.840551 11.89822 
8.917616 
1 1 1 -21 -17 3  o 21.36240 6.567613  -6.174838      106.9125 -14.12774      
174.6211 -1.406039      135.2191 22.46649 9.809152 20.25832 8.735827 2.208178 
13.13523 
1 1 1 -21 -17 4  o 32.21699 7.117964  211.6413       112.3365 361.3695       
173.0785 102.6531       147.6662 39.21860 10.35687 25.21537 9.767132 14.00323 
14.23593 
1 1 1 -21 -17 5  f 61.61792 5.071053  833.2929       125.8788 825.0540       
208.6477 838.0079       157.8402 61.00534 8.146421 62.23049 6.041369 -1.225151 
10.14211 
1 1 1 -21 -17 6  o 45.89561 5.997598  490.3902       108.5217 437.2512       
175.4909 523.2930       138.0908 42.91188 9.929913 48.87933 6.729157 -5.967442 
11.99520 
1 1 1 -21 -17 7  o 47.81910 5.498810  492.4317       106.5052 586.5172       
181.0520 442.6454       131.7036 50.90267 8.471956 44.73553 7.012390 6.167141 
10.99762 
1 1 1 -21 -17 8  o 33.20361 6.789141  272.5800       97.60818 218.1592       
179.2798 295.5078       116.3671 30.88370 10.97447 35.52352 7.995666 -4.639822 
13.57828 
1 1 1 -21 -17 9  o 69.88371 5.199570  1138.694       133.4907 1017.439       
251.0497 1186.492       157.6202 65.91455 9.071924 73.85287 5.083531 -7.938316 
10.39914 
1 1 1 -21 -17 10 o 65.98988 4.415512  961.7311       120.9443 1031.013       
187.9339 912.7534       158.0131 67.77032 6.605209 64.20945 5.861587 3.560875 
8.831024 
1 1 1 -21 -17 11 o 21.16915 6.502669  18.03935       108.2821 51.86587       
154.7524 -14.40822      151.5654 22.34881 9.481647 19.98949 8.901527 2.359320 
13.00534 
1 1 1 -21 -17 12 o 73.01378 4.656230  1221.817       141.8597 1147.510       
207.5535 1286.962       194.3379 70.53152 7.009191 75.49603 6.131326 -4.964500 
9.312460 
1 1 1 -21 -17 13 o 23.03036 6.588838  95.03996       100.0616 57.46389       
144.1513 129.9813       139.0057 21.60342 9.157537 24.45731 9.475792 -2.853886 
13.17768 
1 1 1 -21 -17 14 o 50.81425 5.832861  660.0457       114.8579 538.4796       
180.6177 742.5834       148.8265 44.89353 9.851392 56.73498 6.248133 -11.84145 
11.66572 
1 1 1 -21 -17 15 o 26.26004 7.107623  172.2745       105.8846 216.6613       
178.3492 148.1134       131.5840 27.99191 10.75674 24.52818 9.293312 3.463732 
14.21525 
1 1 1 -21 -17 16 o 37.76633 7.432353  438.9753       122.6932 401.9647       
194.3046 463.5182       158.2284 34.95992 11.46987 40.57273 9.455242 -5.612804 
14.86471 
1 1 1 -21 -17 17 o 21.09495 6.525910  18.97458       113.5635 230.2249       
181.3738 -117.2481      145.6467 26.54913 10.66134 15.64077 7.529002 10.90835 
13.05182 
1 1 1 -21 -16 1  o 84.18437 5.755116  1528.638       197.5654 1493.963       
250.1096 1586.176       322.1792 83.24601 7.156291 85.12274 9.015149 -1.876732 
11.51023 
1 1 1 -21 -16 2  o 87.51340 4.801178  1594.733       169.9132 1853.222       
289.3091 1458.624       209.9342 92.52051 7.448094 82.50629 6.060621 10.01421 
9.602356 
1 1 1 -21 -16 3  o 96.69734 4.846906  1993.928       189.0039 2111.848       
318.2026 1929.647       234.9379 98.52631 7.692589 94.86838 5.898650 3.657936 
9.693812 
1 1 1 -21 -16 4  o 51.17678 6.484186  639.5983       122.8024 462.7205       
213.3372 727.2484       150.1778 44.22926 11.41512 58.12430 6.154164 -13.89504 
12.96837 
1 1 1 -21 -16 5  o 58.29122 5.104049  715.4713       118.3562 821.9597       
208.5794 664.9001       143.7382 61.08520 8.133108 55.49724 6.169101 5.587959 
10.20810 
1 1 1 -21 -16 6  o 57.02660 4.757731  691.4284       109.6602 772.9228       
185.6219 647.7371       135.9135 59.30572 7.455103 54.74748 5.913159 4.558239 
9.515462 
1 1 1 -21 -16 7  o 54.58868 5.288044  656.3793       111.1276 665.8120       
201.9845 652.2844       133.0796 54.30713 8.858948 54.87024 5.776909 
-0.5631104     10.57609 
1 1 1 -21 -16 8  o 25.24840 6.475276  -44.49736      103.5031 332.6408       
186.1999 -213.1393      124.5122 36.87046 11.11353 13.62634 6.648784 23.24413 
12.95055 
1 1 1 -21 -16 9  o 54.93589 5.224809  672.9994       113.6955 688.1480       
196.3459 665.3576       139.4546 54.81260 8.532229 55.05918 6.032874 
-0.2465782     10.44962 
1 1 1 -21 -16 10 o 22.41669 6.762846  23.37387       107.9590 100.8742       
183.1587 -17.88680      133.6423 25.80776 10.58030 19.02561 8.426247 6.782145 
13.52569 
1 1 1 -21 -16 11 o 22.46645 6.449708  71.91570       93.66975 103.5671       
146.4374 49.99677       121.8611 24.22112 9.633945 20.71178 8.577997 3.509342 
12.89942 
1 1 1 -21 -16 12 o 61.93810 4.668394  880.2916       118.3953 806.7293       
183.5606 932.6954       154.9293 59.11089 7.396616 64.76531 5.697866 -5.654427 
9.336788 
1 1 1 -21 -16 13 o 20.49677 6.129576  43.30233       91.08768 26.43986       
128.1189 60.53761       129.5275 19.77881 8.515913 21.21474 8.818506 -1.435930 
12.25915 
1 1 1 -21 -16 14 o 35.32018 7.330819  340.0336       114.6223 334.9102       
183.1901 343.3300       146.9399 34.51330 11.13002 36.12704 9.543913 -1.613743 
14.66164 
1 1 1 -21 -16 15 o 24.16244 6.803893  123.2292       107.4604 44.85250       
167.0232 178.5887       140.3716 21.83580 9.563044 26.48908 9.680910 -4.653284 
13.60779 
1 1 1 -21 -16 16 o 42.10723 7.376101  472.6158       122.7152 629.5020       
220.6861 402.3923       147.6467 45.67794 11.50560 38.53652 9.233013 7.141422 
14.75220 
1 1 1 -21 -16 17 o 26.17946 7.317394  187.2484       117.5303 285.0371       
187.6832 124.1614       150.7477 29.42829 11.11388 22.93063 9.521480 6.497662 
14.63479 
1 1 1 -21 -16 18 o 24.69538 7.005976  177.0180       121.6128 35.34654       
194.7297 267.6049       155.7126 20.80038 9.584792 28.59037 10.22089 -7.789988 
14.01195 
1 1 1 -21 -15 1  o 107.6051 6.204044  2507.709       279.5648 2700.239       
413.5922 2345.739       379.3518 111.3579 8.846514 103.8522 8.700566 7.505745 
12.40809 
1 1 1 -21 -15 2  o 32.72320 7.734674  233.0885       125.4859 162.9072       
208.4294 272.9904       157.1609 30.70138 11.67751 34.74501 10.14576 -4.043627 
15.46935 
1 1 1 -21 -15 3  o 34.28603 7.674104  254.2542       121.2554 310.2740       
195.7846 219.3961       154.4399 36.93303 11.44982 31.63902 10.22101 5.294004 
15.34821 
1 1 1 -21 -15 4  o 80.24196 4.567079  1390.345       148.4393 1368.887       
243.0202 1403.116       187.4762 79.47575 7.283309 81.00816 5.512371 -1.532402 
9.134157 
1 1 1 -21 -15 5  o 58.65016 4.905287  718.4649       111.4052 816.5005       
206.3998 678.1621       132.3382 61.05185 8.052512 56.24847 5.603965 4.803383 
9.810575 
1 1 1 -21 -15 6  o 29.98911 7.097903  156.2359       101.5277 317.7622       
185.1328 86.76365       121.4137 36.85025 11.07645 23.12796 8.878806 13.72230 
14.19581 
1 1 1 -21 -15 7  o 29.00014 7.097888  182.9237       105.6011 127.1917       
175.9711 214.2901       132.0144 27.39139 10.65143 30.60890 9.384408 -3.217510 
14.19578 
1 1 1 -21 -15 8  o 69.53574 4.859463  1113.583       131.7966 893.4333       
217.9145 1240.560       165.4965 63.19010 8.214065 75.88138 5.194870 -12.69128 
9.718926 
1 1 1 -21 -15 9  o 26.31163 6.702246  135.0009       103.4292 2.305884       
164.2994 222.1056       133.1158 21.87701 9.533635 30.74624 9.422854 -8.869228 
13.40449 
1 1 1 -21 -15 10 o 50.10382 5.660339  553.6818       105.7913 635.7050       
198.3132 521.0554       125.0742 51.54082 9.522884 48.66681 6.121471 2.874012 
11.32068 
1 1 1 -21 -15 11 o 21.71513 6.142519  71.30638       85.52532 19.15260       
140.0149 102.3475       108.0190 20.67763 8.902697 22.75262 8.465469 -2.074989 
12.28504 
1 1 1 -21 -15 12 o 18.90917 5.790338  -49.51688      86.47759 108.1599       
143.4595 -139.5141      108.3827 24.25676 9.570883 13.56158 6.519989 10.69518 
11.58068 
1 1 1 -21 -15 13 f 26.27381 6.617068  163.8034       95.88647 60.53526       
170.7712 211.3516       115.8773 23.28813 9.922821 29.25949 8.756710 -5.971365 
13.23414 
1 1 1 -21 -15 14 o 21.40521 6.597464  30.38308       109.2962 37.86835       
173.5606 25.46402       140.6979 22.41180 9.782349 20.39862 8.855042 2.013174 
13.19493 
1 1 1 -21 -15 15 o 61.74211 5.014758  897.6251       128.3151 884.3152       
196.0266 907.6037       169.7306 60.76568 7.683828 62.71854 6.445926 -1.952858 
10.02952 
1 1 1 -21 -15 16 o 67.19150 4.886921  1042.606       133.4183 1181.695       
222.7159 964.7541       166.6250 69.79503 7.600600 64.58797 6.144824 5.207054 
9.773842 
1 1 1 -21 -15 17 o 48.21156 6.466186  620.7754       125.5683 663.2720       
188.5218 586.8878       168.3468 49.38275 9.430623 47.04036 8.849270 2.342384 
12.93237 
1 1 1 -21 -15 18 o 27.28597 7.338401  234.2066       115.9607 227.9348       
179.7962 238.6737       151.7374 26.84134 10.67537 27.73059 10.07199 
-0.8892498     14.67680 
1 1 1 -21 -14 1  o 148.3682 7.285696  4832.312       451.4015 4829.190       
673.1402 4834.863       608.4991 147.9817 10.83474 148.7546 9.743401 
-0.7728882     14.57139 
1 1 1 -21 -14 2  o 114.7086 4.971316  2877.199       232.9162 2569.341       
362.3879 3093.888       304.0300 109.0361 7.916339 120.3811 6.015604 -11.34498 
9.942632 
1 1 1 -21 -14 3  f 78.65432 4.530631  1275.608       138.8022 1462.718       
255.1498 1196.960       165.4212 82.32792 7.381917 74.98072 5.254879 7.347198 
9.061261 
1 1 1 -21 -14 4  o 18.33793 6.043829  -127.5435      110.7849 -204.5911      
191.1184 -88.55334      135.9567 19.04706 8.994237 17.62880 8.075592 1.418259 
12.08766 
1 1 1 -21 -14 5  o 46.72903 5.574738  453.7652       103.6116 594.0164       
177.8129 381.6628       127.4926 52.15076 8.121264 41.30730 7.639101 10.84346 
11.14948 
1 1 1 -21 -14 6  o 31.51855 7.417484  217.2191       111.8082 202.5180       
192.1130 224.7491       137.4926 31.51320 11.34416 31.52390 9.559618 
-0.1070595E-01 14.83497 
1 1 1 -21 -14 7  o 24.50030 6.858838  84.39510       104.6150 106.6154       
154.9268 65.77160       141.8345 25.72506 9.996148 23.27555 9.394235 2.449505 
13.71768 
1 1 1 -21 -14 8  o 71.80587 4.577557  1082.805       129.8734 1239.212       
231.9193 1011.349       156.7579 75.08212 7.357350 68.52962 5.448441 6.552490 
9.155114 
1 1 1 -21 -14 9  f 43.68036 6.161248  466.1296       99.61272 371.0449       
184.2353 505.4093       118.4136 39.11059 10.84775 48.25013 5.845534 -9.139534 
12.32250 
1 1 1 -21 -14 10 o 30.05728 6.885184  210.7123       94.94718 182.7066       
177.8972 221.8675       112.2756 29.37713 10.87710 30.73743 8.444630 -1.360300 
13.77037 
1 1 1 -21 -14 11 o 71.77808 4.194368  1092.173       114.9738 1229.847       
217.4529 1038.752       135.4561 74.19440 6.980960 69.36176 4.651568 4.832642 
8.388736 
1 1 1 -21 -14 12 o 50.38917 4.959730  572.0502       100.0266 574.0042       
168.2477 570.9820       124.3987 49.91403 8.028742 50.86430 5.825376 
-0.9502716     9.919460 
1 1 1 -21 -14 13 o 53.41066 5.028626  638.9404       104.6277 683.7576       
188.1541 618.8785       125.8857 53.96531 8.304626 52.85601 5.672873 1.109306 
10.05725 
1 1 1 -21 -14 14 o 22.40068 6.493973  52.03595       93.97107 160.4119       
163.8327 -1.100628      114.7178 26.81481 10.30830 17.98656 7.900991 8.828253 
12.98795 
1 1 1 -21 -14 15 o 26.87377 7.279490  165.1800       114.4518 211.6930       
172.9074 128.9083       152.6899 28.88653 10.71786 24.86101 9.853494 4.025515 
14.55898 
1 1 1 -21 -14 16 o 32.14059 6.994431  244.8179       111.7445 462.0572       
178.4412 104.6626       143.3279 41.06313 10.34757 23.21804 9.413609 17.84509 
13.98886 
1 1 1 -21 -14 17 o 28.44759 7.320050  215.1013       110.9375 275.6841       
179.5704 177.7061       141.0809 30.72024 10.97663 26.17495 9.687416 4.545290 
14.64010 
1 1 1 -21 -14 18 o 25.01523 7.203317  161.1759       118.6475 182.7749       
177.5662 143.7541       159.4741 25.85928 10.48056 24.17118 9.884789 1.688099 
14.40663 
1 1 1 -21 -14 19 o 21.79489 6.779407  92.49415       118.9454 101.7135       
183.9108 85.86465       155.9537 22.34630 9.892399 21.24347 9.272642 1.102829 
13.55881 
1 1 1 -21 -13 1  o 39.74686 7.837293  361.0077       154.5992 565.5351       
203.5686 82.29685       237.6358 50.12617 10.02742 29.36755 12.04755 20.75862 
15.67459 
1 1 1 -21 -13 2  o 83.48459 4.728488  1414.957       150.5025 1675.772       
289.3030 1318.181       176.2263 88.20303 7.812510 78.76614 5.329078 9.436882 
9.456976 
1 1 1 -21 -13 3  o 87.80275 4.994631  1694.890       170.2522 1549.291       
297.5576 1765.755       207.5896 84.52070 8.385501 91.08479 5.428513 -6.564095 
9.989263 
1 1 1 -21 -13 4  o 133.8521 5.499272  3830.981       267.1250 3975.130       
537.6760 3783.741       307.7984 134.4883 9.522634 133.2160 5.503400 1.272369 
10.99854 
1 1 1 -21 -13 5  o 75.41695 4.810357  1237.287       145.9370 1180.051       
240.5679 1270.615       183.5730 73.73015 7.771658 77.10374 5.670932 -3.373596 
9.620714 
1 1 1 -21 -13 6  o 122.8279 4.619559  3291.545       229.9160 3083.596       
370.7212 3421.521       293.0901 119.1809 7.409041 126.4749 5.519729 -7.294083 
9.239118 
1 1 1 -21 -13 7  o 21.55401 6.373896  8.672220       103.4163 -118.7441      
161.2474 97.70440       134.7887 18.68809 8.653430 24.41992 9.360786 -5.731831 
12.74779 
1 1 1 -21 -13 8  o 32.58559 6.913159  249.3496       99.08694 195.3510       
184.2232 271.3301       117.5364 30.77439 11.10574 34.39678 8.235872 -3.622385 
13.82632 
1 1 1 -21 -13 9  o 64.86195 4.844919  836.9493       114.5358 1098.414       
240.8923 760.5753       130.1936 70.25529 8.167047 59.46861 5.214623 10.78668 
9.689837 
1 1 1 -21 -13 10 o 45.83198 6.327135  519.3740       99.42573 419.6442       
205.4095 549.8893       113.6232 41.23290 11.45999 50.43105 5.366487 -9.198151 
12.65427 
1 1 1 -21 -13 11 o 28.74706 7.099126  182.8517       100.0982 176.6910       
183.7920 185.4496       119.3524 29.19499 11.00622 28.29913 8.969584 0.8958569 
14.19825 
1 1 1 -21 -13 12 o 35.28782 6.220504  270.0111       90.42890 432.7226       
155.0334 186.1066       111.3291 42.46929 8.972636 28.10636 8.618032 14.36294 
12.44101 
1 1 1 -21 -13 13 o 36.19189 6.088066  359.9983       92.47204 171.0332       
173.8108 434.6022       109.2111 28.07099 10.66761 44.31279 5.870280 -16.24180 
12.17613 
1 1 1 -21 -13 14 f 15.12785 5.233727  -214.5054      95.32452 -140.3322      
173.9695 -246.3296      113.9538 18.24132 8.604193 12.01438 5.961160 6.226946 
10.46745 
1 1 1 -21 -13 15 o 21.36285 6.053197  52.72187       92.22765 -81.95243      
142.2460 150.3969       121.1405 17.36759 8.074766 25.35810 9.020142 -7.990513 
12.10639 
1 1 1 -21 -13 16 o 25.58317 6.808212  139.3588       103.8622 56.72202       
142.9658 231.7175       151.1417 21.48638 9.114463 29.67997 10.11600 -8.193592 
13.61642 
1 1 1 -21 -13 17 o 31.19552 7.356024  274.5551       114.6470 225.1733       
182.3348 306.8440       147.4390 28.86159 10.93834 33.52945 9.838545 -4.667864 
14.71205 
1 1 1 -21 -13 18 o 35.96754 6.423142  384.9449       114.8251 140.8427       
184.4655 539.3604       146.7151 25.00822 10.46761 46.92686 7.446884 -21.91864 
12.84628 
1 1 1 -21 -13 19 o 49.04361 6.327820  644.7567       121.7419 708.7003       
205.3301 610.0919       151.1815 48.87909 10.32543 49.20813 7.317838 
-0.3290405     12.65564 
1 1 1 -21 -13 20 o 20.59795 6.523392  41.60815       108.0542 159.9799       
192.6505 -12.72183      130.5166 24.00049 10.38931 17.19541 7.891818 6.805075 
13.04678 
1 1 1 -21 -12 1  o 101.2539 5.403867  2197.443       229.3885 2198.638       
316.1808 2196.114       333.3046 101.3396 7.431516 101.1681 7.847273 0.1715012 
10.80773 
1 1 1 -21 -12 2  o 71.66708 5.070680  1082.052       143.8135 1153.639       
252.5180 1047.686       174.9600 73.17075 8.220076 70.16341 5.939490 3.007339 
10.14136 
1 1 1 -21 -12 3  o 48.90689 6.539957  525.5809       122.3906 541.7812       
218.1435 518.1386       147.8544 48.67329 10.94182 49.14048 7.166646 
-0.4671936     13.07991 
1 1 1 -21 -12 4  o 49.46038 6.760865  512.0541       129.4917 699.7819       
227.6877 422.3046       157.4314 55.63147 10.12276 43.28929 8.964757 12.34219 
13.52173 
1 1 1 -21 -12 5  o 31.89190 7.715427  193.6297       118.6385 291.0597       
208.8021 147.1803       144.1712 36.25341 11.89007 27.53039 9.835526 8.723026 
15.43085 
1 1 1 -21 -12 6  o 82.07785 4.597725  1418.223       150.3227 1545.190       
261.6199 1355.645       183.6686 84.48273 7.376051 79.67297 5.490919 4.809769 
9.195451 
1 1 1 -21 -12 7  o 96.42876 4.919026  1917.615       156.9192 2171.267       
366.3739 1860.631       173.6533 99.29085 8.788938 93.56667 4.420618 5.724174 
9.838053 
1 1 1 -21 -12 8  o 66.04787 4.997633  850.3339       114.9259 1135.234       
259.4650 780.7968       128.1863 71.65700 8.624645 60.43873 5.051813 11.21827 
9.995265 
1 1 1 -21 -12 9  o 65.68550 4.676018  873.9039       116.8426 1094.772       
227.5423 794.8095       136.1657 70.53903 7.683403 60.83197 5.331594 9.707062 
9.352036 
1 1 1 -21 -12 10 o 33.38483 6.276984  286.3275       99.68420 65.21110       
185.9807 375.4573       118.0780 25.36775 10.55725 41.40191 6.793128 -16.03416 
12.55397 
1 1 1 -21 -12 11 o 47.66985 5.750412  443.8367       102.0302 703.3894       
207.5496 361.1228       117.1651 55.53283 8.902113 39.80687 7.281576 15.72596 
11.50082 
1 1 1 -21 -12 12 o 26.91633 6.587265  161.2733       89.08212 144.8611       
148.4464 170.5098       111.3627 26.63181 9.920951 27.20085 8.668506 
-0.5690346     13.17453 
1 1 1 -21 -12 13 o 26.86888 5.610667  28.15247       89.87260 398.0849       
152.8843 -167.1845      111.0948 40.47845 9.202128 13.25932 6.421772 27.21913 
11.22133 
1 1 1 -21 -12 14 o 20.21664 6.124059  32.53971       87.78438 -69.55152      
179.2212 64.76382       100.6899 20.24493 9.273131 20.18835 8.001589 
0.5657578E-01  12.24812 
1 1 1 -21 -12 15 f 24.03345 6.597281  115.4287       96.21881 55.27464       
162.6307 147.8248       119.3482 22.74462 9.687094 25.32228 8.958611 -2.577658 
13.19456 
1 1 1 -21 -12 16 o 43.75992 5.864538  474.8980       102.2684 424.1915       
161.6235 508.7561       132.0698 40.47903 9.635945 47.04081 6.687286 -6.561787 
11.72908 
1 1 1 -21 -12 17 o 24.42417 6.468143  137.8793       92.36157 73.07069       
148.6651 178.6187       117.8691 22.23605 9.356377 26.61228 8.933403 -4.376234 
12.93629 
1 1 1 -21 -12 18 o 26.07143 7.145538  151.2524       105.8194 248.4769       
186.2396 104.9002       128.5936 29.61584 11.09646 22.52701 9.005747 7.088831 
14.29108 
1 1 1 -21 -12 19 o 27.90461 7.251230  184.4388       109.5461 371.9370       
191.4435 93.16017       133.5754 34.11094 11.38511 21.69829 8.983354 12.41264 
14.50246 
1 1 1 -21 -12 20 o 21.82355 6.752040  83.74966       110.4800 155.8887       
194.4961 49.38522       134.2395 24.20584 10.45805 19.44126 8.543387 4.764582 
13.50408 
1 1 1 -21 -11 1  o 105.1427 5.153623  2357.483       227.2931 2248.057       
313.9209 2478.061       329.5287 102.5825 7.289001 107.7028 7.287646 -5.120293 
10.30725 
1 1 1 -21 -11 2  o 133.8348 4.905178  3775.517       252.0330 3950.986       
466.0432 3702.988       299.6271 135.5514 8.189234 132.1183 5.401808 3.433060 
9.810355 
1 1 1 -21 -11 3  o 122.1292 5.408194  3198.344       260.5212 3219.918       
453.9686 3187.750       318.1188 121.9583 8.866157 122.3001 6.195603 
-0.3417740     10.81639 
1 1 1 -21 -11 4  o 36.10598 7.542904  290.2906       121.3555 316.8858       
184.6722 270.0770       160.9984 37.46399 11.01669 34.74796 10.30603 2.716030 
15.08581 
1 1 1 -21 -11 5  o 103.3038 4.947200  2322.217       203.9332 2197.020       
341.3677 2391.694       254.2989 100.7112 8.073570 105.8964 5.719846 -5.185158 
9.894401 
1 1 1 -21 -11 6  o 33.88739 6.223495  285.2799       100.9803 48.54205       
181.2992 391.7542       121.5862 25.10342 10.43389 42.67135 6.786861 -17.56793 
12.44699 
1 1 1 -21 -11 7  o 49.65752 5.711356  494.3191       110.5821 659.7567       
207.8299 428.9857       130.6046 54.74895 9.041767 44.56610 6.980314 10.18285 
11.42271 
1 1 1 -21 -11 8  o 53.66326 5.265174  573.3125       105.0367 746.8513       
214.0089 518.2432       120.5559 58.19080 8.759886 49.13572 5.844027 9.055080 
10.53035 
1 1 1 -21 -11 9  o 46.91220 6.481056  447.7982       113.6002 667.3666       
218.2896 366.2469       133.0343 53.69239 10.05562 40.13201 8.179292 13.56038 
12.96211 
1 1 1 -21 -11 10 o 49.87857 6.230949  617.5014       113.5686 436.8123       
199.3877 704.2736       138.1730 42.64343 11.04960 57.11370 5.762405 -14.47028 
12.46190 
1 1 1 -21 -11 11 o 27.68789 7.113967  157.6728       102.2529 138.5488       
185.7166 165.9920       122.4910 28.00422 10.93156 27.37156 9.106866 0.6326561 
14.22793 
1 1 1 -21 -11 12 o 21.23501 6.410832  13.61934       97.70029 69.70365       
162.1036 -18.37546      122.4367 24.07690 9.926032 18.39311 8.115971 5.683790 
12.82166 
1 1 1 -21 -11 13 o 44.27939 5.504807  448.2760       98.57546 462.0995       
153.4812 438.5700       128.6074 44.23666 8.569949 44.32212 6.911408 
-0.8546066E-01 11.00961 
1 1 1 -21 -11 14 o 82.64751 4.724097  1472.939       144.0990 1661.253       
287.0254 1409.481       166.6188 84.83930 8.058317 80.45573 4.932737 4.383575 
9.448195 
1 1 1 -21 -11 15 o 72.72390 4.300238  1106.138       120.2974 1380.153       
229.1209 1001.853       141.3470 77.81154 7.013612 67.63626 4.977693 10.17528 
8.600475 
1 1 1 -21 -11 16 o 24.79910 6.339667  138.3738       87.54567 81.40991       
131.7402 183.4233       117.1557 22.25680 9.024571 27.34139 8.906325 -5.084593 
12.67933 
1 1 1 -21 -11 17 o 37.90308 6.232997  388.4012       103.8876 213.7781       
161.1110 512.6843       135.9191 28.83161 10.38762 46.97455 6.891901 -18.14294 
12.46599 
1 1 1 -21 -11 18 o 31.01739 6.438721  266.6480       97.52917 135.4990       
156.7047 349.5678       124.6031 24.81637 9.932933 37.21841 8.195448 -12.40204 
12.87744 
1 1 1 -21 -11 19 o 41.92339 6.373052  478.0941       108.2994 399.4333       
173.7711 528.0515       138.4835 36.99181 10.62561 46.85496 7.039851 -9.863152 
12.74610 
1 1 1 -21 -11 20 o 26.25963 7.334620  181.6393       113.9502 292.3555       
198.7062 127.3888       139.0937 29.61104 11.36125 22.90823 9.279469 6.702810 
14.66924 
1 1 1 -21 -11 21 o 41.03799 6.956557  557.0599       122.8014 399.6478       
213.2014 635.2107       150.2235 32.26432 11.91529 49.81166 7.183363 -17.54734 
13.91311 
1 1 1 -21 -10 1  o 69.30120 8.812582  1032.737       256.4029 1032.737       
256.4029 0.000000       0.000000 69.30120 8.812582 ?        ?        ? ? 
1 1 1 -21 -10 2  o 142.7972 5.540840  4352.181       312.4649 4420.977       
544.5588 4318.413       381.5203 143.1443 9.061326 142.4501 6.379342 0.6941681 
11.08168 
1 1 1 -21 -10 3  o 73.77768 5.362822  1161.149       158.5799 1187.165       
268.5462 1147.219       196.4986 74.18272 8.622583 73.37264 6.378909 0.8100739 
10.72564 
1 1 1 -21 -10 4  o 131.4037 5.987165  3701.210       293.4012 3797.070       
565.2047 3665.849       343.2758 131.7004 10.22209 131.1071 6.236460 0.5933380 
11.97433 
1 1 1 -21 -10 5  o 195.4419 8.011041  8272.301       478.3102 8802.180       
1206.560 8173.501       520.9969 195.3493 14.71154 195.5345 6.346479 
-0.1851807     16.02208 
1 1 1 -21 -10 6  o 61.41030 5.086530  747.3358       113.0714 946.2559       
239.0528 690.0057       128.3352 65.90303 8.639915 56.91757 5.370570 8.985462 
10.17306 
1 1 1 -21 -10 7  o 46.25819 6.464406  490.3681       109.6520 451.1580       
209.3100 505.1994       128.7303 43.99714 11.27906 48.51923 6.319576 -4.522095 
12.92881 
1 1 1 -21 -10 8  o 50.22520 6.029897  566.7084       107.3690 552.3672       
211.0642 571.7152       124.7110 48.78914 10.60081 51.66125 5.749910 -2.872112 
12.05979 
1 1 1 -21 -10 9  o 57.35304 5.425892  678.6462       117.1084 812.2289       
230.0470 631.9200       136.0572 60.50724 9.055872 54.19884 5.979332 6.308399 
10.85178 
1 1 1 -21 -10 10 o 94.33765 4.434425  1821.875       154.1272 2150.980       
312.5223 1716.106       177.1715 99.04028 7.516060 89.63501 4.708008 9.405273 
8.868850 
1 1 1 -21 -10 11 o 31.33913 6.091898  243.9446       97.09380 13.65786       
165.3648 365.1034       119.9461 22.52194 9.685569 40.15631 7.391526 -17.63437 
12.18380 
1 1 1 -21 -10 12 o 27.81869 7.201243  156.0808       101.1897 158.7388       
197.9588 155.1407       117.7334 29.10147 11.30123 26.53590 8.928256 2.565565 
14.40249 
1 1 1 -21 -10 13 o 34.31018 5.423306  166.5249       96.02055 602.3835       
166.6391 -50.12688      117.4857 51.72536 7.673515 16.89500 7.665909 34.83036 
10.84661 
1 1 1 -21 -10 14 o 32.05929 6.385597  265.9313       94.59377 134.2910       
163.6742 331.9532       115.9124 26.41169 10.27210 37.70689 7.588629 -11.29520 
12.77119 
1 1 1 -21 -10 15 o 90.87060 4.693419  1819.878       152.7792 1931.174       
312.8875 1785.035       175.0685 91.07580 8.182883 90.66540 4.599256 0.4104004 
9.386838 
1 1 1 -21 -10 16 o 27.09361 6.220815  131.5552       92.86168 325.6970       
144.4045 -5.340094      121.2594 35.85303 9.456485 18.33418 8.085112 17.51885 
12.44163 
1 1 1 -21 -10 17 o 31.96734 6.646121  275.1005       98.59216 182.0918       
165.7081 326.0671       122.6661 27.60062 10.43730 36.33406 8.230819 -8.733440 
13.29224 
1 1 1 -21 -10 18 o 21.42659 6.078559  34.77387       100.2887 -181.8908      
158.1279 180.5713       129.7148 16.08303 7.767089 26.77016 9.352424 -10.68713 
12.15712 
1 1 1 -21 -10 19 o 25.54511 6.823852  142.9426       101.8950 250.9056       
159.6569 68.74640       132.3552 29.96719 10.38476 21.12304 8.855310 8.844154 
13.64770 
1 1 1 -21 -10 20 o 28.06167 7.403250  225.5920       113.8904 238.6134       
195.2984 218.8817       140.1976 28.30209 11.16701 27.82126 9.722669 0.4808350 
14.80650 
1 1 1 -21 -10 21 o 21.74750 6.732476  86.59243       108.4604 124.9217       
202.3390 71.13892       128.4776 23.46330 10.38290 20.03171 8.573236 3.431591 
13.46495 
1 1 1 -21 -9  1  o 31.02829 7.883610  168.0463       136.8820 58.23827       
198.0192 268.5322       189.4273 26.72090 10.98568 35.33568 11.31018 -8.614786 
15.76722 
1 1 1 -21 -9  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 -9  3  o 32.75534 7.804275  139.0434       131.8290 418.4046       
233.1234 7.712636       159.8402 42.92976 12.29932 22.58091 9.610080 20.34885 
15.60855 
1 1 1 -21 -9  4  o 55.01466 6.037135  705.2837       123.1277 550.0063       
210.9843 785.4797       151.6256 49.27158 10.50975 60.75775 5.944179 -11.48616 
12.07427 
1 1 1 -21 -9  5  f 86.05779 4.491306  1597.412       146.3866 1543.486       
271.3967 1619.538       173.8433 84.69877 7.632179 87.41679 4.736789 -2.718025 
8.982613 
1 1 1 -21 -9  6  o 88.80768 4.196340  1643.839       136.7103 1766.190       
273.7280 1603.177       157.8004 90.61174 7.195413 87.00361 4.320082 3.608131 
8.392680 
1 1 1 -21 -9  7  o 35.23449 7.181974  262.7021       105.6533 345.2752       
190.9289 226.2573       126.8439 38.75488 11.13974 31.71409 9.068032 7.040785 
14.36395 
1 1 1 -21 -9  8  o 26.83531 7.180644  108.5809       104.1924 183.6887       
188.4577 75.51653       125.0406 30.74756 11.21914 22.92306 8.965352 7.824505 
14.36129 
1 1 1 -21 -9  9  o 118.7672 4.533605  2937.908       199.7225 3263.868       
395.6430 2826.439       231.3655 122.3527 7.702133 115.1816 4.784499 7.171082 
9.067209 
1 1 1 -21 -9  10 o 33.37155 7.095526  269.4603       109.2194 143.5546       
201.6608 321.7222       129.9246 29.25242 11.39682 37.49068 8.455675 -8.238258 
14.19105 
1 1 1 -21 -9  11 o 54.86818 5.159106  625.9464       110.2426 755.5708       
204.3490 572.7333       130.9299 58.29753 8.349174 51.43883 6.062738 6.858700 
10.31821 
1 1 1 -21 -9  12 o 93.64410 4.302376  1883.210       150.1551 1962.670       
290.3770 1854.208       175.4308 94.22413 7.340423 93.06407 4.489984 1.160057 
8.604753 
1 1 1 -21 -9  13 f 32.33760 6.542794  237.1377       94.07449 329.3833       
146.3279 172.1493       122.8209 37.08955 9.384788 27.58565 9.119123 9.503899 
13.08559 
1 1 1 -21 -9  14 o 47.84356 5.824544  509.7284       107.8398 593.7459       
190.7184 470.2412       130.7482 49.73132 9.475123 45.95581 6.776672 3.775513 
11.64909 
1 1 1 -21 -9  15 o 18.38638 5.869484  -29.12824      88.78464 -51.33035      
164.9006 -20.06468      105.3597 19.96496 9.065365 16.80780 7.458051 3.157156 
11.73897 
1 1 1 -21 -9  16 o 28.13795 6.611959  191.2122       99.83482 65.98556       
159.0930 272.5577       128.2241 23.11784 9.700894 33.15805 8.986914 -10.04021 
13.22392 
1 1 1 -21 -9  17 o 23.32611 6.284826  77.24207       101.3788 -116.3516      
158.5704 211.0753       131.8435 17.64245 8.290285 29.00976 9.448138 -11.36730 
12.56965 
1 1 1 -21 -9  18 o 28.94276 7.058911  209.0990       102.6105 263.8220       
163.5551 173.5795       131.7687 31.32934 10.52323 26.55618 9.411409 4.773153 
14.11782 
1 1 1 -21 -9  19 o 17.26719 5.721715  -82.11489      102.3148 -87.86140      
160.4907 -78.18024      132.8005 18.00952 8.438998 16.52486 7.728869 1.484661 
11.44343 
1 1 1 -21 -9  20 o 25.54118 6.881886  144.7443       104.4640 265.9346       
164.7937 63.32987       135.0696 30.26414 10.54446 20.81823 8.846236 9.445906 
13.76377 
1 1 1 -21 -9  21 o 28.52348 7.160278  247.4270       107.8118 259.8671       
156.2153 236.1126       148.9797 29.03906 10.25175 28.00790 9.998994 1.031162 
14.32056 
1 1 1 -21 -9  22 o 46.70522 6.795546  656.6245       121.3746 597.3693       
215.1347 684.2916       147.0045 41.09684 11.82870 52.31359 6.693254 -11.21675 
13.59109 
1 1 1 -21 -8  1  o 74.36729 4.937003  1177.463       154.0636 1126.640       
216.2970 1229.800       219.4958 72.72312 7.084335 76.01147 6.878096 -3.288353 
9.874006 
1 1 1 -21 -8  2  o 83.95902 4.912754  1611.730       140.0602 1312.153       
290.6974 1702.298       159.8356 78.11599 8.863847 89.80206 4.239438 -11.68607 
9.825508 
1 1 1 -21 -8  3  f 161.5788 7.690546  5588.494       521.6994 0.000000       
0.000000 5588.494       521.6994 ?        ?        161.5788 7.690546 ? ? 
1 1 1 -21 -8  4  o 91.58066 7.509806  1797.030       288.7430 1797.030       
288.7430 0.000000       0.000000 91.58066 7.509806 ?        ?        ? ? 
1 1 1 -21 -8  5  o 72.13297 4.992546  1047.250       130.0957 1249.845       
272.7680 987.5933       148.0157 76.04399 8.543772 68.22194 5.167788 7.822052 
9.985092 
1 1 1 -21 -8  6  o 83.30801 4.635387  1497.352       136.9715 1461.770       
281.1867 1508.421       156.8373 82.22089 8.145799 84.39513 4.426425 -2.174232 
9.270775 
1 1 1 -21 -8  7  o 52.91294 6.713514  695.7224       122.5097 488.4471       
237.9220 770.5072       142.9116 45.72625 12.17395 60.09964 5.663915 -14.37339 
13.42703 
1 1 1 -21 -8  8  o 74.47862 4.930411  1142.486       139.7282 1325.316       
268.1401 1074.332       163.7130 78.01305 8.186827 70.94421 5.496514 7.068840 
9.860822 
1 1 1 -21 -8  9  o 107.0067 4.923510  2406.995       184.2249 2603.280       
395.0750 2352.456       208.2520 108.8739 8.643245 105.1396 4.717850 3.734337 
9.847019 
1 1 1 -21 -8  10 f 85.15707 4.401950  1610.830       141.0491 1449.903       
258.6739 1678.924       168.2650 81.50798 7.559160 88.80616 4.513067 -7.298180 
8.803901 
1 1 1 -21 -8  11 o 33.61119 7.009778  269.0337       101.7716 202.8932       
195.6950 293.5530       119.1518 31.40490 11.43512 35.81749 8.110856 -4.412590 
14.01956 
1 1 1 -21 -8  12 o 63.29184 5.034740  889.5946       117.7774 858.0667       
225.6771 901.3959       138.0718 61.81902 8.695338 64.76466 5.077944 -2.945648 
10.06948 
1 1 1 -21 -8  13 o 29.18826 5.916931  135.2330       89.83509 385.5884       
146.3365 -16.17958      113.8034 40.51208 8.848049 17.86444 7.858263 22.64765 
11.83386 
1 1 1 -21 -8  14 o 18.60925 5.813629  -52.28030      91.54174 56.30569       
139.8128 -133.7597      121.1111 22.30221 9.209445 14.91629 7.097833 7.385925 
11.62726 
1 1 1 -21 -8  15 o 54.18659 5.765503  686.5460       111.0160 667.3458       
213.7799 693.6357       129.9053 52.09709 10.13575 56.27610 5.498245 -4.179012 
11.53101 
1 1 1 -21 -8  16 o 58.92736 5.739144  853.2617       118.7270 717.2029       
221.5935 908.0469       140.6130 53.50264 10.23053 64.35208 5.204559 -10.84945 
11.47829 
1 1 1 -21 -8  17 o 46.89254 5.953694  518.8286       112.4544 578.1296       
180.2470 481.0361       143.8933 48.27452 9.223379 45.51055 7.530948 2.763973 
11.90739 
1 1 1 -21 -8  18 o 74.54630 4.228347  1257.065       128.6775 1246.153       
206.2230 1264.022       164.6659 73.63592 6.670653 75.45667 5.197891 -1.820747 
8.456695 
1 1 1 -21 -8  19 o 19.14207 6.044347  -3.459723      98.50475 -56.26940      
162.3661 27.29871       123.9141 18.96767 8.744785 19.31648 8.346571 
-0.3488159     12.08869 
1 1 1 -21 -8  20 o 23.34003 6.793471  108.5781       106.7886 88.92971       
167.2892 122.0909       138.7318 23.10713 9.832667 23.57293 9.376760 
-0.4658051     13.58694 
1 1 1 -21 -8  21 o 24.70691 6.556527  156.5177       98.26997 64.66708       
150.6571 224.5363       129.6469 21.16264 9.174536 28.25117 9.369102 -7.088537 
13.11305 
1 1 1 -21 -8  22 o 54.30499 5.533409  772.0167       115.1867 770.4331       
195.5947 772.8574       142.5220 51.94951 9.304757 56.66047 5.991324 -4.710964 
11.06682 
1 1 1 -21 -7  1  f 122.0550 5.202018  3073.414       255.0844 3529.073       
440.4738 2843.487       312.8922 128.4198 8.169755 115.6902 6.441977 12.72960 
10.40404 
1 1 1 -21 -7  2  o 138.1001 4.730410  4149.651       255.9774 3789.559       
440.3384 4333.449       314.5941 133.1145 7.879203 143.0857 5.236912 -9.971252 
9.460819 
1 1 1 -21 -7  3  o 135.5126 3.950427  3922.005       217.7579 3774.701       
351.1239 4014.071       277.5881 133.2529 6.276314 137.7723 4.799103 -4.519333 
7.900855 
1 1 1 -21 -7  4  o 59.52532 5.236608  733.5302       122.5983 828.9073       
220.6319 690.9260       147.4594 62.05984 8.467957 56.99080 6.162951 5.069050 
10.47322 
1 1 1 -21 -7  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 -7  6  o 164.6742 5.811100  5605.850       311.8919 6274.410       
740.5360 5461.685       343.8790 168.9491 10.44026 160.3994 5.106508 8.549652 
11.62220 
1 1 1 -21 -7  7  o 35.07174 7.155345  284.3485       107.8952 226.1207       
197.2669 309.2030       128.8817 33.10095 11.53632 37.04252 8.468134 -3.941574 
14.31069 
1 1 1 -21 -7  8  o 54.92151 5.245264  584.5710       111.1863 833.5904       
214.8950 493.5390       129.9292 61.88862 8.270592 47.95440 6.453562 13.93422 
10.49053 
1 1 1 -21 -7  9  o 78.59832 4.488962  1278.363       131.7884 1438.134       
259.0552 1222.575       153.0772 81.39816 7.580516 75.79848 4.810289 5.599670 
8.977923 
1 1 1 -21 -7  10 o 101.0472 4.616236  2204.532       169.5997 2201.133       
337.2871 2205.682       196.2091 100.2954 8.010135 101.7989 4.590891 -1.503555 
9.232472 
1 1 1 -21 -7  11 o 74.30736 4.751945  1229.672       135.9017 1113.747       
240.1234 1284.305       164.8435 71.13790 8.039971 77.47681 5.067819 -6.338913 
9.503890 
1 1 1 -21 -7  12 o 27.80171 7.369738  148.9432       114.3286 92.45444       
201.0707 175.9318       138.9819 27.12671 11.09737 28.47672 9.700541 -1.350014 
14.73948 
1 1 1 -21 -7  13 o 55.72944 4.464416  661.4214       101.6059 750.0652       
167.9249 610.2249       127.6177 58.41251 6.847471 53.04638 5.730284 5.366135 
8.928831 
1 1 1 -21 -7  14 o 55.52286 4.608818  653.2502       105.1482 817.8149       
171.5478 554.2191       133.0770 60.82510 6.717742 50.22062 6.311637 10.60449 
9.217636 
1 1 1 -21 -7  15 o 46.56725 5.769150  484.1643       103.2038 557.4460       
184.5149 450.8010       124.4996 48.09681 9.475160 45.03768 6.584354 3.059135 
11.53830 
1 1 1 -21 -7  16 o 41.24211 6.565093  380.1800       105.7874 552.6998       
189.1340 301.6362       127.6163 47.23345 9.859575 35.25077 8.671248 11.98269 
13.13019 
1 1 1 -21 -7  17 o 42.02461 5.797695  417.8098       97.40508 469.6203       
152.9799 382.4837       126.3202 43.97655 8.592291 40.07267 7.786245 3.903885 
11.59539 
1 1 1 -21 -7  18 o 19.70827 6.047182  17.58535       91.25337 39.59912       
142.7944 2.389194       118.6400 21.08628 9.031886 18.33027 8.043549 2.756014 
12.09436 
1 1 1 -21 -7  19 o 17.19299 5.688651  -121.9109      96.37428 20.27639       
164.3525 -196.4231      118.9761 21.27151 9.392391 13.11447 6.420745 8.157043 
11.37730 
1 1 1 -21 -7  20 o 35.54523 7.133714  339.9604       109.9077 408.8340       
173.5480 293.8401       142.0166 38.16590 10.50495 32.92455 9.654298 5.241360 
14.26743 
1 1 1 -21 -7  21 o 23.36983 6.562116  106.3893       98.16106 207.5223       
151.4619 33.14859       128.8942 27.38681 10.05147 19.35285 8.438806 8.033962 
13.12423 
1 1 1 -21 -7  22 o 48.88947 6.003917  618.1594       115.9461 738.4534       
196.2577 553.6625       143.7058 50.97733 9.523575 46.80160 7.313658 4.175735 
12.00783 
1 1 1 -21 -7  23 o 19.88544 6.213066  57.28879       102.7092 11.16775       
164.9978 86.46634       131.2360 19.27821 8.858418 20.49267 8.714193 -1.214455 
12.42613 
1 1 1 -21 -6  1  o 157.9200 4.972167  5307.442       329.0176 5346.615       
481.2332 5273.060       450.8535 158.4013 7.236322 157.4386 6.820956 0.9626617 
9.944335 
1 1 1 -21 -6  2  o 70.84294 3.961197  1094.363       113.8960 912.6061       
176.0349 1225.236       149.3751 65.53539 6.397997 76.15050 4.672255 -10.61511 
7.922395 
1 1 1 -21 -6  3  o 127.3459 4.432474  3471.065       220.5503 3377.350       
388.2999 3515.698       267.9717 125.7748 7.353509 128.9169 4.951081 -3.142113 
8.864947 
1 1 1 -21 -6  4  o 49.97798 5.330869  567.7717       101.9957 455.3379       
165.7625 636.2767       129.3896 45.19691 9.055206 54.75905 5.628134 -9.562141 
10.66174 
1 1 1 -21 -6  5  o 98.37784 4.877780  1946.154       164.5822 2286.428       
370.3165 1862.398       183.7244 102.9486 8.567887 93.80710 4.665006 9.141487 
9.755561 
1 1 1 -21 -6  6  o 45.69208 6.962066  447.1340       133.5543 0.000000       
0.000000 447.1340       133.5543 ?        ?        45.69208 6.962066 ? ? 
1 1 1 -21 -6  7  o 85.75891 7.909339  1588.923       284.7727 1588.923       
284.7727 0.000000       0.000000 85.75891 7.909339 ?        ?        ? ? 
1 1 1 -21 -6  8  f 42.08057 6.877545  400.6718       110.5983 405.0220       
206.4048 398.9198       130.9903 41.81192 11.43331 42.34922 7.647349 
-0.5373001     13.75509 
1 1 1 -21 -6  9  o 39.62836 6.907126  377.5723       114.0429 258.2022       
201.9778 433.4393       138.1764 34.50241 11.69415 44.75431 7.353938 -10.25189 
13.81425 
1 1 1 -21 -6  10 o 58.11855 5.273976  736.9305       121.5923 724.7592       
207.9551 743.2532       149.8834 57.41750 8.626734 58.81960 6.069494 -1.402096 
10.54795 
1 1 1 -21 -6  11 o 151.0209 5.300320  4989.762       294.5084 4956.971       
573.4033 5001.512       343.2415 149.2472 9.151137 152.7947 5.350724 -3.547485 
10.60064 
1 1 1 -21 -6  12 o 55.06788 5.751678  734.5023       113.3856 546.9770       
200.5632 822.5894       137.4603 48.24525 10.21473 61.89050 5.290226 -13.64525 
11.50336 
1 1 1 -21 -6  13 o 86.53300 4.237667  1651.469       148.0206 1522.476       
239.4283 1731.271       188.3212 83.31667 6.844860 89.74934 4.997918 -6.432671 
8.475334 
1 1 1 -21 -6  14 o 31.35583 6.418205  236.9146       99.68083 80.78988       
155.6607 345.4427       129.7819 24.23276 9.816323 38.47889 8.271229 -14.24613 
12.83641 
1 1 1 -21 -6  15 o 50.40065 5.995497  621.7670       109.6148 509.8105       
197.8607 671.3443       131.6668 45.38052 10.57175 55.42078 5.658805 -10.04026 
11.99099 
1 1 1 -21 -6  16 o 42.43305 6.811388  497.5530       111.9878 296.4640       
220.4895 567.4616       130.0047 34.26255 12.17106 50.60356 6.119264 -16.34101 
13.62278 
1 1 1 -21 -6  17 o 63.32077 4.844841  905.9813       119.5178 915.3430       
211.8641 901.6115       144.7492 62.66670 8.052701 63.97485 5.389245 -1.308147 
9.689683 
1 1 1 -21 -6  18 o 24.01329 6.533875  108.4353       101.4547 -32.68468      
169.0880 187.8199       126.8197 20.33863 9.214133 27.68795 9.266383 -7.349325 
13.06775 
1 1 1 -21 -6  19 o 19.50637 6.079203  5.858669       97.43073 -29.09486      
146.2744 33.73332       130.6254 18.92486 8.572024 20.08788 8.622484 -1.163017 
12.15841 
1 1 1 -21 -6  20 o 27.30103 7.108172  170.5860       105.9136 281.3761       
174.3215 105.7562       133.3485 31.66209 10.86284 22.93996 9.170777 8.722132 
14.21634 
1 1 1 -21 -6  21 o 26.35022 6.899664  180.5969       104.4950 118.4618       
156.0709 231.0822       140.6810 23.74167 9.755540 28.95876 9.759658 -5.217085 
13.79933 
1 1 1 -21 -6  22 o 31.16935 6.941880  303.9945       104.9388 211.3004       
202.2678 338.1335       122.7513 26.84620 11.08091 35.49249 8.364941 -8.646288 
13.88376 
1 1 1 -21 -6  23 o 23.88491 6.804215  162.4795       105.5886 124.7755       
174.0355 184.4425       132.8283 22.78829 9.869737 24.98152 9.368973 -2.193224 
13.60843 
1 1 1 -21 -5  1  o 99.97516 3.990702  2116.897       167.3725 2129.502       
241.8123 2105.305       231.8997 100.2442 5.745664 99.70611 5.539869 0.5381088 
7.981403 
1 1 1 -21 -5  2  o 65.38480 4.308310  868.0264       114.8483 1075.867       
192.6175 753.3765       143.0599 71.15131 6.448131 59.61829 5.715570 11.53302 
8.616619 
1 1 1 -21 -5  3  o 129.0854 3.637240  3538.798       194.9092 3441.921       
296.5035 3612.516       258.6452 127.4394 5.541751 130.7314 4.712437 -3.292015 
7.274481 
1 1 1 -21 -5  4  o 37.09833 6.442842  292.4129       97.64057 388.3534       
161.0255 236.6254       122.7898 41.60230 9.434575 32.59436 8.776651 9.007946 
12.88568 
1 1 1 -21 -5  5  o 98.75665 3.875796  2060.437       154.2907 2104.528       
258.1611 2035.938       192.4413 99.42648 6.184573 98.08682 4.673138 1.339661 
7.751591 
1 1 1 -21 -5  6  o 119.0481 3.588775  3040.583       175.4886 2824.333       
272.6409 3193.550       229.3041 115.2487 5.634768 122.8476 4.445968 -7.598877 
7.177551 
1 1 1 -21 -5  7  o 99.93198 4.743233  2017.628       177.1600 2412.417       
352.5772 1884.287       204.9055 105.6943 7.945547 94.16965 5.182792 11.52464 
9.486466 
1 1 1 -21 -5  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 -5  9  o 51.84890 5.665781  534.8108       112.7556 712.6779       
218.3555 470.1360       131.6691 56.95673 9.131459 46.74107 6.709748 10.21566 
11.33156 
1 1 1 -21 -5  10 o 43.00088 6.566773  391.3833       108.1001 519.0213       
198.3281 337.4370       128.9363 47.38728 10.25854 38.61448 8.200750 8.772800 
13.13355 
1 1 1 -21 -5  11 o 60.17937 5.034325  772.8113       114.7992 820.4232       
217.2406 754.3642       135.2219 61.01454 8.480642 59.34420 5.427375 1.670334 
10.06865 
1 1 1 -21 -5  12 o 58.75161 4.889936  702.0079       111.9060 890.0697       
209.2066 626.6315       132.4471 63.59141 7.836065 53.91181 5.851666 9.679600 
9.779873 
1 1 1 -21 -5  13 o 58.55602 4.956090  742.2841       114.7568 782.2514       
200.8093 722.9016       139.8413 59.30187 8.065598 57.81017 5.761723 1.491699 
9.912180 
1 1 1 -21 -5  14 o 33.61113 6.527006  276.3117       96.58435 199.4008       
155.3892 324.7326       123.2944 29.81132 10.25327 37.41095 8.079456 -7.599628 
13.05401 
1 1 1 -21 -5  15 o 58.77969 4.814921  746.7399       114.0163 839.1515       
194.4772 698.3417       140.7408 61.09632 7.581841 56.46306 5.937133 4.633263 
9.629843 
1 1 1 -21 -5  16 o 35.01493 6.053073  362.9423       106.7567 -64.45837      
221.9185 491.6338       121.7730 22.88929 10.42598 47.14058 6.152862 -24.25130 
12.10615 
1 1 1 -21 -5  17 o 53.02957 5.099198  602.7980       109.1244 785.9272       
188.9295 511.1179       133.6776 58.42253 7.702655 47.63661 6.684039 10.78592 
10.19840 
1 1 1 -21 -5  18 o 19.74086 6.002112  -2.952638      96.73836 -123.7954      
145.7801 92.13129       129.3128 16.71644 7.882397 22.76528 9.053685 -6.048841 
12.00422 
1 1 1 -21 -5  19 o 22.86463 6.594490  89.31569       99.90031 27.06049       
170.8900 121.6364       123.1315 21.97053 9.647202 23.75874 8.993370 -1.788214 
13.18898 
1 1 1 -21 -5  20 o 29.86578 6.840524  235.9140       97.53186 226.9329       
152.8831 242.0775       126.6520 29.26335 10.16004 30.46822 9.162135 -1.204866 
13.68105 
1 1 1 -21 -5  21 o 50.41536 6.569880  652.0573       124.0858 690.0594       
226.1993 635.6987       148.4093 48.98665 11.23221 51.84407 6.818409 -2.857418 
13.13976 
1 1 1 -21 -5  22 o 34.93544 6.850932  355.0281       103.8226 316.7885       
172.7770 376.6395       129.8886 32.11231 10.81583 37.75858 8.411830 -5.646263 
13.70186 
1 1 1 -21 -5  23 o 26.32699 7.067051  212.6238       106.6806 201.2027       
181.5770 218.6444       131.8335 25.66008 10.52961 26.99389 9.428693 -1.333807 
14.13410 
1 1 1 -21 -4  1  o 82.93518 4.181778  1412.774       141.9529 1268.037       
178.4078 1662.505       234.3477 77.38486 5.491348 88.48551 6.308261 -11.10065 
8.363556 
1 1 1 -21 -4  2  o 73.18637 4.199783  1111.958       123.3611 1218.051       
211.6933 1057.407       151.7987 75.67458 6.663127 70.69817 5.114239 4.976410 
8.399566 
1 1 1 -21 -4  3  o 47.56490 5.523255  495.4910       103.5531 475.2333       
168.7205 507.7337       131.1634 46.26006 9.008718 48.86975 6.392838 -2.609684 
11.04651 
1 1 1 -21 -4  4  o 110.6851 4.328164  2671.923       184.2046 2428.783       
327.5473 2784.388       222.7701 106.6109 7.318017 114.7593 4.623703 -8.148407 
8.656327 
1 1 1 -21 -4  5  o 38.48140 6.350217  298.5192       101.0645 508.7281       
169.0370 181.5723       126.0812 47.86361 8.736116 29.09919 9.218531 18.76442 
12.70043 
1 1 1 -21 -4  6  o 146.1464 4.783946  4566.838       280.1696 4564.349       
472.0796 4568.192       348.1021 145.7170 7.716603 146.5759 5.656729 
-0.8588867     9.567891 
1 1 1 -21 -4  7  o 100.4638 3.970045  2198.715       162.1913 1911.161       
253.1863 2398.844       211.2211 94.55938 6.377590 106.3682 4.729840 -11.80885 
7.940091 
1 1 1 -21 -4  8  o 63.69191 5.157831  838.2691       112.5459 938.1664       
250.4104 812.9815       125.9879 65.51306 9.104280 61.87076 4.850254 3.642303 
10.31566 
1 1 1 -21 -4  9  o 142.8769 5.957925  4368.850       357.3848 0.000000       
0.000000 4368.850       357.3848 ?        ?        142.8769 5.957925 ? ? 
1 1 1 -21 -4  10 o 101.0166 4.611476  2182.521       176.6972 2232.045       
331.1800 2162.813       208.9172 101.2708 7.789343 100.7624 4.938521 0.5084610 
9.222953 
1 1 1 -21 -4  11 o 52.09758 5.971979  597.4047       115.2887 625.0187       
214.5124 586.1887       136.7116 52.03362 10.18264 52.16155 6.242749 
-0.1279335     11.94396 
1 1 1 -21 -4  12 o 43.19899 6.892948  442.6833       111.9739 387.0910       
218.9072 462.3832       130.3121 40.25785 12.03317 46.14013 6.727085 -5.882275 
13.78590 
1 1 1 -21 -4  13 o 51.14652 5.864216  590.6214       114.3285 587.6810       
199.9153 592.0505       139.3682 50.11324 9.853082 52.17981 6.361833 -2.066574 
11.72843 
1 1 1 -21 -4  14 o 70.11110 4.370273  1117.615       122.2096 880.4446       
191.7480 1279.861       158.5945 63.08471 7.239821 77.13748 4.897154 -14.05277 
8.740545 
1 1 1 -21 -4  15 o 43.97573 5.987369  465.1501       103.5584 379.6495       
167.5470 518.0067       131.7352 39.47277 10.07478 48.47869 6.472497 -9.005924 
11.97474 
1 1 1 -21 -4  16 o 23.88537 7.008362  28.59152       102.3009 191.5281       
207.9840 -23.40941      117.4969 30.06230 11.60250 17.70844 7.864506 12.35386 
14.01672 
1 1 1 -21 -4  17 o 26.90794 6.432358  20.01784       100.2874 397.5039       
184.0729 -139.3335      119.5962 39.27719 10.82232 14.53869 6.955456 24.73850 
12.86472 
1 1 1 -21 -4  18 o 21.53121 6.224658  16.12910       95.14095 168.2630       
148.8000 -89.07510      123.7390 27.08494 9.960604 15.97747 7.468054 11.10747 
12.44932 
1 1 1 -21 -4  19 o 31.85897 6.900437  263.5242       106.4003 166.1376       
155.5193 349.2215       145.8876 26.78994 10.11704 36.92799 9.386676 -10.13805 
13.80087 
1 1 1 -21 -4  20 o 39.62196 6.308376  408.2582       107.2668 261.0093       
154.2362 546.1982       149.2813 31.19098 10.21904 48.05295 7.399570 -16.86198 
12.61675 
1 1 1 -21 -4  21 o 22.68548 6.834085  59.52153       108.0676 159.9034       
189.8511 11.40616       131.4399 26.33671 10.78027 19.03426 8.402655 7.302450 
13.66817 
1 1 1 -21 -4  22 o 22.21742 6.674111  86.23790       108.3131 27.56083       
184.6117 117.0384       133.7531 21.52525 9.696185 22.90960 9.173822 -1.384350 
13.34822 
1 1 1 -21 -4  23 o 36.76447 7.352934  414.7924       114.4207 442.6605       
204.5240 402.0965       138.0451 35.55278 11.76763 37.97615 8.819607 -2.423370 
14.70587 
1 1 1 -21 -4  24 o 23.59253 6.834700  109.8214       103.6882 302.8848       
185.9769 22.74064       124.9022 29.19839 11.05260 17.98667 8.043164 11.21172 
13.66940 
1 1 1 -21 -3  1  o 22.79707 6.612541  43.34546       98.59575 29.56624       
162.8217 51.32349       123.8933 23.63058 9.858955 21.96356 8.814977 1.667015 
13.22508 
1 1 1 -21 -3  2  o 144.4123 4.481365  4544.229       249.5807 4132.976       
441.5935 4737.254       302.5344 139.1226 7.560422 149.7020 4.813580 -10.57942 
8.962730 
1 1 1 -21 -3  3  o 146.3183 5.109181  4571.966       289.3857 4557.469       
521.1807 4578.428       347.9518 145.6876 8.520926 146.9491 5.639925 -1.261490 
10.21836 
1 1 1 -21 -3  4  o 27.53529 6.916139  142.1147       98.69225 156.1144       
158.6955 133.2854       126.0278 28.80274 10.31617 26.26784 9.214581 2.534903 
13.83228 
1 1 1 -21 -3  5  o 73.97665 3.875859  1187.435       116.1400 1050.768       
184.3597 1277.358       149.5447 70.24673 6.251166 77.70659 4.583890 -7.459862 
7.751718 
1 1 1 -21 -3  6  o 113.0107 3.939566  2749.301       180.9179 2566.558       
289.7926 2866.015       231.5945 109.7013 6.292112 116.3200 4.742365 -6.618683 
7.879131 
1 1 1 -21 -3  7  o 39.35548 6.092367  307.9543       99.96175 530.6439       
167.2811 184.2679       124.6688 49.56928 8.038134 29.14169 9.157301 20.42760 
12.18473 
1 1 1 -21 -3  8  o 84.58442 4.151830  1446.939       131.5540 1709.124       
260.3077 1357.006       152.4561 89.17327 6.953020 79.99557 4.539415 9.177704 
8.303660 
1 1 1 -21 -3  9  o 115.2520 3.999129  2909.263       175.7580 2657.105       
317.1824 3020.997       211.1372 111.1160 6.799132 119.3880 4.212355 -8.272018 
7.998258 
1 1 1 -21 -3  10 o 85.81659 4.369056  1543.362       143.6790 1675.235       
268.6390 1490.526       170.0438 87.95255 7.275146 83.68062 4.840129 4.271935 
8.738112 
1 1 1 -21 -3  11 o 91.15058 7.526169  1809.804       288.0132 1809.804       
288.0132 0.000000       0.000000 91.15058 7.526169 ?        ?        ? ? 
1 1 1 -21 -3  12 o 83.54820 5.009240  1566.043       154.4954 1418.161       
291.8618 1623.611       182.1006 79.95676 8.694471 87.13964 4.977562 -7.182884 
10.01848 
1 1 1 -21 -3  13 o 37.10126 6.522561  359.8481       108.1693 128.5781       
196.4210 460.5154       129.5903 28.25194 11.18264 45.95058 6.717421 -17.69864 
13.04512 
1 1 1 -21 -3  14 o 65.25336 4.554533  922.7199       119.4071 959.3806       
201.6345 902.9190       148.1857 65.87795 7.290307 64.62877 5.461368 1.249184 
9.109067 
1 1 1 -21 -3  15 o 136.1894 5.039618  4168.822       259.1495 4004.172       
478.7503 4237.061       308.2078 132.5285 8.604409 139.8503 5.249300 -7.321808 
10.07924 
1 1 1 -21 -3  16 o 25.65973 5.867876  111.1115       102.8137 -315.6682      
190.5593 286.3626       122.1121 16.63950 8.141732 34.67995 8.452222 -18.04045 
11.73575 
1 1 1 -21 -3  17 o 40.00076 7.048018  331.3894       107.0659 591.6841       
216.2711 246.8870       123.2254 48.14521 10.94456 31.85631 8.883406 16.28890 
14.09604 
1 1 1 -21 -3  18 o 30.66628 6.879141  233.6104       98.51054 240.1962       
153.0126 228.9482       128.7402 30.93645 10.17842 30.39611 9.256890 0.5403461 
13.75828 
1 1 1 -21 -3  19 o 23.68560 6.371968  117.2260       89.98307 42.72354       
152.9504 156.6617       111.2782 21.73973 9.330848 25.63148 8.680045 -3.891758 
12.74394 
1 1 1 -21 -3  20 o 21.53438 6.733118  29.05906       110.6140 -3.077508      
212.5050 41.00228       129.5478 22.80014 10.32942 20.26862 8.639599 2.531523 
13.46624 
1 1 1 -21 -3  21 o 28.61893 7.427628  220.5914       117.2636 177.5817       
197.9549 243.8431       145.5494 27.21092 11.05131 30.02694 9.927094 -2.816015 
14.85526 
1 1 1 -21 -3  22 o 24.26389 7.030097  130.3880       110.5369 125.0353       
191.8887 133.0462       135.2271 24.73041 10.52734 23.79737 9.320095 0.9330330 
14.06019 
1 1 1 -21 -3  23 o 20.94894 6.247077  73.96044       101.0845 -69.41026      
178.1467 142.0412       122.7608 18.51732 8.726311 23.38057 8.941779 -4.863251 
12.49415 
1 1 1 -21 -3  24 o 17.75762 5.706260  -39.52374      94.84809 108.6147       
146.9698 -145.2586      124.1662 21.72242 9.228996 13.79282 6.713511 7.929602 
11.41252 
1 1 1 -21 -2  1  o 42.37589 6.478633  388.5443       108.1869 446.9300       
182.2831 356.7933       134.4227 44.64043 9.979089 40.11134 8.264898 4.529091 
12.95727 
1 1 1 -21 -2  2  o 120.7839 4.310447  3057.279       198.4511 3194.091       
371.6118 3002.696       234.7236 122.3709 7.233232 119.1969 4.690434 3.174011 
8.620894 
1 1 1 -21 -2  3  o 27.39455 6.937882  141.1813       99.79690 117.3307       
164.3784 155.1043       125.5919 27.24656 10.36833 27.54254 9.221418 
-0.2959805     13.87576 
1 1 1 -21 -2  4  o 80.48762 3.830251  1422.075       120.6586 1230.637       
204.7511 1523.924       149.3451 76.02858 6.414613 84.94666 4.187604 -8.918076 
7.660502 
1 1 1 -21 -2  5  o 65.60075 4.711168  951.2394       124.1567 780.1469       
195.4558 1066.974       160.7552 60.29353 7.721450 70.90797 5.399965 -10.61444 
9.422336 
1 1 1 -21 -2  6  o 109.4651 4.027126  2507.097       175.7037 2680.537       
304.4360 2420.470       215.1540 112.0494 6.471538 106.8807 4.794807 5.168694 
8.054253 
1 1 1 -21 -2  7  o 79.44524 3.708901  1312.818       116.6680 1426.666       
205.6432 1258.782       141.6753 81.78387 5.989184 77.10660 4.376467 4.677277 
7.417802 
1 1 1 -21 -2  8  o 113.8951 3.940704  2746.028       166.9597 2806.240       
323.3155 2724.133       194.9670 114.3430 6.735007 113.4471 4.093442 0.8958511 
7.881408 
1 1 1 -21 -2  9  o 50.02157 5.316151  562.5467       98.60330 513.6191       
176.7606 584.6502       118.8061 47.68353 9.156209 52.35961 5.404597 -4.676083 
10.63230 
1 1 1 -21 -2  10 o 48.82690 4.665371  505.6820       87.22285 532.6274       
162.0969 494.7007       103.4811 49.48267 7.802662 48.17115 5.116760 1.311520 
9.330743 
1 1 1 -21 -2  11 o 76.33734 4.646735  1289.785       138.6186 1164.928       
238.3240 1353.622       170.4089 73.05308 7.770525 79.62160 5.097795 -6.568527 
9.293469 
1 1 1 -21 -2  12 o 41.38866 7.880671  386.9893       132.0092 0.000000       
0.000000 386.9893       132.0092 ?        ?        41.38866 7.880671 ? ? 
1 1 1 -21 -2  13 f 40.84554 6.772015  403.0626       108.8265 326.6263       
201.9466 434.3438       129.1897 37.09806 11.65434 44.59303 6.900521 -7.494968 
13.54403 
1 1 1 -21 -2  14 f 31.41741 6.724383  231.1225       105.0068 94.70654       
161.5796 330.8589       138.1596 25.25404 10.09536 37.58078 8.885556 -12.32674 
13.44877 
1 1 1 -21 -2  15 o 87.75027 4.127066  1692.225       147.3308 1620.881       
236.5421 1737.445       188.3207 85.79131 6.567292 89.70924 5.000138 -3.917938 
8.254132 
1 1 1 -21 -2  16 o 29.82025 7.054711  212.8129       102.6429 146.0364       
188.8715 240.8007       122.2755 27.89931 10.99008 31.74119 8.848379 -3.841881 
14.10942 
1 1 1 -21 -2  17 o 26.73453 6.665699  33.04691       106.4786 367.9663       
187.5303 -126.2994      129.3518 37.82820 11.09454 15.64086 7.391700 22.18734 
13.33140 
1 1 1 -21 -2  18 o 31.72931 7.100813  241.1362       101.5551 303.1005       
174.8392 209.5858       124.7587 34.19845 10.85786 29.26018 9.153853 4.938269 
14.20163 
1 1 1 -21 -2  19 o 34.89959 7.052812  310.6527       100.8951 318.2512       
198.5267 308.0067       117.1527 34.23160 11.59381 35.56757 8.034433 -1.335976 
14.10562 
1 1 1 -21 -2  20 o 31.15705 6.517064  272.6584       108.0563 30.11992       
194.3978 381.1013       129.9875 22.98699 10.17398 39.32711 8.147312 -16.34013 
13.03413 
1 1 1 -21 -2  21 o 30.14823 7.328536  257.9646       118.6965 121.5192       
221.2311 313.1188       140.6552 25.99669 11.19173 34.29977 9.464403 -8.303085 
14.65707 
1 1 1 -21 -2  22 o 23.63704 6.724362  -11.91841      111.4266 326.9044       
194.5416 -177.3408      135.9325 32.76614 11.45284 14.50794 7.049874 18.25819 
13.44872 
1 1 1 -21 -2  23 o 31.72216 6.582919  269.7463       96.44442 414.6908       
151.7577 171.5441       124.9138 38.29435 9.478089 25.14997 9.138114 13.14438 
13.16584 
1 1 1 -21 -2  24 o 19.29222 6.043546  33.77892       96.60641 101.4317       
149.4161 -14.81803      126.6366 21.58812 9.242621 16.99632 7.789208 4.591803 
12.08709 
1 1 1 -21 -1  1  o 37.07787 6.441619  322.0326       98.63544 218.1832       
176.8547 368.9194       118.8337 32.52860 10.94272 41.62713 6.799615 -9.098526 
12.88324 
1 1 1 -21 -1  2  o 110.0245 4.168338  2502.137       178.1346 2746.064       
326.4439 2398.704       212.5731 113.5335 6.848659 106.5156 4.753530 7.017952 
8.336677 
1 1 1 -21 -1  3  o 49.77284 5.474584  542.7687       108.1545 516.4468       
172.6642 559.7650       138.7464 48.26058 8.852112 51.28510 6.443942 -3.024513 
10.94917 
1 1 1 -21 -1  4  o 63.69916 4.512222  911.3499       110.9467 731.1697       
188.2995 1007.164       137.3128 58.40727 7.678976 68.99104 4.740667 -10.58377 
9.024445 
1 1 1 -21 -1  5  f 53.29039 5.544484  679.3172       109.3006 416.3546       
171.5417 859.0386       141.8152 42.95337 9.735577 63.62741 5.308839 -20.67405 
11.08897 
1 1 1 -21 -1  6  o 140.9890 4.141559  4276.368       226.1605 4115.223       
403.2791 4350.300       273.1577 138.6342 6.928775 143.3437 4.538955 -4.709488 
8.283117 
1 1 1 -21 -1  7  o 115.0147 4.152031  2833.605       179.8286 2790.374       
338.3030 2850.632       212.3073 113.9998 7.068430 116.0297 4.358297 -2.029930 
8.304063 
1 1 1 -21 -1  8  o 30.52173 6.842503  195.2332       93.26897 229.2267       
165.8997 179.5235       112.7798 32.48619 10.59838 28.55727 8.657579 3.928925 
13.68501 
1 1 1 -21 -1  9  o 63.46378 4.050045  785.1373       100.0443 1070.375       
189.2878 674.5720       117.8497 70.62229 6.384133 56.30526 4.985407 14.31704 
8.100089 
1 1 1 -21 -1  10 o 105.6953 3.552559  2287.188       133.5126 2559.668       
282.6616 2208.938       151.4751 109.1899 6.166027 102.2007 3.530273 6.989197 
7.105119 
1 1 1 -21 -1  11 o 48.04727 4.745309  440.5635       88.59648 668.9580       
169.4395 354.6234       103.9369 55.48903 7.273253 40.60552 6.096852 14.88351 
9.490618 
1 1 1 -21 -1  12 o 47.19902 6.089981  474.4192       88.73633 545.3343       
219.7228 460.5989       96.99838 47.98014 11.11653 46.41791 4.977370 1.562225 
12.17996 
1 1 1 -21 -1  13 o 51.00967 6.330451  624.2321       118.6234 511.5768       
212.8123 675.0120       142.8787 46.18400 11.09723 55.83535 6.095077 -9.651356 
12.66090 
1 1 1 -21 -1  14 o 17.17829 8.104189  -154.7205      154.4676 -154.7205      
154.4676 0.000000       0.000000 17.17829 8.104189 ?        ?        ? ? 
1 1 1 -21 -1  15 o 28.12088 6.890438  176.0872       99.04362 144.4709       
158.0191 196.5448       127.1103 27.09572 10.20759 29.14603 9.258386 -2.050314 
13.78088 
1 1 1 -21 -1  16 f 75.43478 4.657796  1301.155       132.7392 1159.468       
239.8040 1363.745       159.3837 71.43062 7.996373 79.43894 4.778940 -8.008324 
9.315592 
1 1 1 -21 -1  17 o 17.48157 5.843216  -131.8407      107.4164 -144.0211      
185.8545 -125.7312      131.6273 19.12383 8.983144 15.83930 7.475013 3.284529 
11.68643 
1 1 1 -21 -1  18 o 25.26142 6.984932  124.2842       108.2898 75.65407       
172.7163 155.7834       139.0051 24.12890 10.11563 26.39394 9.634889 -2.265043 
13.96986 
1 1 1 -21 -1  19 o 62.85512 4.968452  740.7659       112.2214 1280.860       
250.7459 605.4879       125.4910 73.61832 8.112767 52.09192 5.738038 21.52640 
9.936905 
1 1 1 -21 -1  20 o 22.49407 6.351954  73.32650       103.4294 -162.5721      
190.7053 171.6308       123.1080 18.51400 8.839491 26.47414 9.124292 -7.960138 
12.70391 
1 1 1 -21 -1  21 o 22.85606 7.099738  45.01170       119.8568 104.6558       
222.9296 20.76094       142.1499 25.65047 11.14076 20.06164 8.803900 5.588831 
14.19948 
1 1 1 -21 -1  22 o 78.13579 4.151036  1401.465       134.4962 1420.299       
206.9574 1387.695       176.9589 78.05315 6.315557 78.21842 5.388706 
-0.1652756     8.302073 
1 1 1 -21 -1  23 o 31.07697 6.853389  239.9197       104.5978 462.6432       
173.3418 112.3856       131.1697 39.74516 10.30454 22.40877 9.038379 17.33639 
13.70678 
1 1 1 -21 -1  24 o 22.14964 6.176864  88.07639       103.3105 -131.6387      
161.9321 238.8924       134.1612 16.27519 7.859903 28.02409 9.530820 -11.74890 
12.35373 
1 1 1 -21 0   1  f 78.80762 4.376481  1310.749       138.7044 1351.218       
233.8000 1288.770       172.3015 79.60693 6.995435 78.00832 5.261010 1.598610 
8.752961 
1 1 1 -21 0   2  o 118.4991 3.847603  2996.149       178.4806 2921.979       
313.4379 3031.739       217.1190 117.1923 6.370498 119.8059 4.316589 -2.613571 
7.695205 
1 1 1 -21 0   3  o 70.52477 4.229068  1084.775       120.3861 942.9895       
191.5409 1177.358       154.7780 66.47726 6.862931 74.57227 4.943709 -8.095009 
8.458137 
1 1 1 -21 0   4  o 74.73059 4.130632  1219.708       124.6931 1049.307       
197.2878 1333.058       160.9071 70.11636 6.701963 79.34483 4.830338 -9.228470 
8.261264 
1 1 1 -21 0   5  o 68.06492 3.907091  977.8820       110.7004 1032.307       
169.6978 937.5652       146.0566 69.66068 5.802427 66.46916 5.233860 3.191513 
7.814183 
1 1 1 -21 0   6  o 161.8265 5.324463  5798.254       327.8860 5215.516       
590.4265 6058.109       394.2715 154.8954 9.079214 168.7576 5.564847 -13.86212 
10.64893 
1 1 1 -21 0   7  o 29.46941 6.635536  171.2159       85.80994 240.9159       
159.8229 142.9857       101.7137 33.04919 10.36496 25.88964 8.287880 7.159552 
13.27107 
1 1 1 -21 0   8  f 102.8836 3.897079  2213.126       155.9649 2372.677       
283.4318 2143.831       186.7877 105.2119 6.416597 100.5553 4.424500 4.656548 
7.794159 
1 1 1 -21 0   9  o 28.74616 6.557432  185.3960       91.78064 82.88062       
167.4997 229.3822       109.7180 25.62422 10.26392 31.86810 8.164048 -6.243885 
13.11486 
1 1 1 -21 0   10 o 15.60786 5.249464  -148.5402      80.26292 -63.69973      
152.4255 -181.0899      94.41245 19.54963 8.808142 11.66608 5.713504 7.883558 
10.49893 
1 1 1 -21 0   11 f 73.35900 4.089473  1100.678       105.0190 1256.178       
228.0428 1058.823       118.3116 76.07169 7.140267 70.64632 3.988952 5.425369 
8.178946 
1 1 1 -21 0   12 o 62.80362 4.032317  890.8827       91.95910 758.7600       
175.4327 940.9403       107.9833 59.02643 7.079214 66.58082 3.863034 -7.554390 
8.064633 
1 1 1 -21 0   13 f 28.54355 6.212466  182.9746       76.37187 167.1840       
149.7744 188.5230       88.78115 28.31517 10.03394 28.77193 7.327962 
-0.4567585     12.42493 
1 1 1 -21 0   14 o 42.10830 6.192756  434.2634       104.6237 299.6479       
167.6873 520.0682       133.8778 35.45063 10.51865 48.76597 6.539020 -13.31534 
12.38551 
1 1 1 -21 0   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 0   16 o 69.99709 5.060983  1080.035       138.4438 1141.734       
247.3340 1051.884       167.0685 70.65923 8.337503 69.33494 5.739359 1.324295 
10.12197 
1 1 1 -21 0   17 f 107.2023 4.481813  2625.140       194.3038 2203.471       
301.6377 2924.207       254.0289 98.68082 7.280714 115.7238 5.228556 -17.04295 
8.963626 
1 1 1 -21 0   18 o 60.58602 4.968178  854.5782       122.4423 682.5826       
182.2793 995.9971       165.2846 54.19441 8.011317 66.97764 5.877921 -12.78323 
9.936356 
1 1 1 -21 0   19 o 31.13478 7.240056  194.4348       104.6780 411.1094       
197.5283 109.8228       123.4358 38.91445 11.37792 23.35511 8.956367 15.55934 
14.48011 
1 1 1 -21 0   20 o 46.46936 6.853528  526.7001       110.0699 598.7131       
238.4543 507.2015       124.0798 45.71886 12.19466 47.21986 6.258889 -1.501007 
13.70706 
1 1 1 -21 0   21 f 48.60049 6.954553  613.3251       126.6808 626.1985       
235.0986 608.0581       150.3794 46.33184 11.99512 50.86916 7.041335 -4.537319 
13.90911 
1 1 1 -21 0   22 o 30.39769 7.224933  229.3021       111.1282 394.1100       
180.4483 128.6056       141.0494 36.84288 10.90743 23.95250 9.477693 12.89038 
14.44987 
1 1 1 -21 0   23 o 23.32722 6.600633  116.1689       102.9159 31.33490       
147.8624 195.8855       143.3333 20.03749 8.870225 26.61695 9.777143 -6.579460 
13.20127 
1 1 1 -21 0   24 o 32.06248 6.613512  311.8344       97.80546 243.2852       
146.3069 367.2184       131.5091 28.00492 9.917801 36.12004 8.751650 -8.115118 
13.22702 
1 1 1 -21 1   1  o 63.40295 4.574916  814.7591       117.3113 1011.699       
201.3752 713.5916       144.3308 68.85094 6.966540 57.95497 5.931841 10.89598 
9.149832 
1 1 1 -21 1   2  o 82.50868 3.566625  1462.249       121.5782 1295.647       
182.2466 1595.848       163.2007 78.13530 5.555629 86.88207 4.474175 -8.746773 
7.133250 
1 1 1 -21 1   3  o 70.06842 4.348889  1013.123       123.5192 1166.785       
208.8710 930.4860       153.1730 73.93259 6.729196 66.20425 5.510833 7.728340 
8.697779 
1 1 1 -21 1   4  o 99.97415 4.485807  2063.300       171.4238 2297.108       
323.9814 1972.391       202.0198 103.4851 7.456984 96.46319 4.988311 7.021935 
8.971614 
1 1 1 -21 1   5  o 51.08743 5.285418  559.6360       110.2065 565.1815       
178.2636 556.2054       140.2112 51.15583 8.300201 51.01904 6.545930 0.1367874 
10.57084 
1 1 1 -21 1   6  o 80.02988 4.065053  1417.973       128.0491 1194.397       
212.8380 1544.805       160.3065 74.65869 6.790316 85.40108 4.471042 -10.74239 
8.130105 
1 1 1 -21 1   7  o 37.72264 6.412313  311.2479       95.90676 359.3073       
167.0921 287.6358       117.1205 39.65687 10.02507 35.78842 7.998057 3.868450 
12.82463 
1 1 1 -21 1   8  o 33.68172 6.722830  255.1744       95.81087 252.9164       
165.5090 256.3124       117.5005 33.68596 10.54436 33.67747 8.342802 
0.8487701E-02  13.44566 
1 1 1 -21 1   9  o 105.0497 3.705152  2283.125       144.4269 2503.456       
285.5304 2207.370       167.4244 107.9961 6.297462 102.1032 3.905713 5.892830 
7.410305 
1 1 1 -21 1   10 o 67.63586 4.313324  1105.337       104.8137 712.6572       
185.0899 1290.704       127.1688 57.22227 7.704396 78.04945 3.880894 -20.82717 
8.626648 
1 1 1 -21 1   11 o 98.46838 3.443218  1954.433       121.3472 2291.611       
257.1011 1857.792       137.6431 103.2521 5.930973 93.68462 3.499510 9.567513 
6.886436 
1 1 1 -21 1   12 o 66.62793 4.039165  911.4655       93.26946 1034.597       
205.0196 879.3316       104.7351 68.90045 7.087521 64.35540 3.876397 4.545052 
8.078329 
1 1 1 -21 1   13 o 67.54788 4.091626  963.9740       97.74017 1026.356       
205.5803 945.7551       111.0999 68.42607 7.156175 66.66970 3.969229 1.756371 
8.183252 
1 1 1 -21 1   14 o 23.60275 5.590974  65.82694       72.02693 235.1936       
121.8821 -25.06171      89.28547 31.74647 8.829008 15.45902 6.861820 16.28745 
11.18195 
1 1 1 -21 1   15 o 69.18397 4.453040  1087.480       122.6696 904.6884       
197.1651 1202.925       156.6892 63.71749 7.370424 74.65045 4.999512 -10.93296 
8.906080 
1 1 1 -21 1   16 o 15.63169 7.439931  -143.9553      133.1332 0.000000       
0.000000 -143.9553      133.1332 ?        ?        15.63169 7.439931 ? ? 
1 1 1 -21 1   17 o 79.45930 4.160544  1392.540       136.8931 1394.563       
211.4260 1391.079       179.6292 79.18498 6.359700 79.73363 5.366073 
-0.5486526     8.321089 
1 1 1 -21 1   18 o 77.69067 4.259967  1369.738       134.9822 1200.369       
208.4715 1492.002       177.1239 72.85248 6.815903 82.52885 5.112020 -9.676376 
8.519935 
1 1 1 -21 1   19 o 77.22194 4.782303  1295.955       134.2771 1494.135       
274.1839 1233.427       154.0101 79.46216 8.218692 74.98171 4.892321 4.480446 
9.564607 
1 1 1 -21 1   20 o 29.02379 7.356841  187.1004       102.5942 298.2556       
203.4513 149.1966       118.8056 32.88920 11.69053 25.15837 8.934425 7.730829 
14.71368 
1 1 1 -21 1   21 o 26.19565 6.895516  163.2776       101.4795 203.4613       
152.6655 131.4669       135.8322 28.08890 10.11252 24.30240 9.377070 3.786501 
13.79103 
1 1 1 -21 1   22 o 21.22254 6.148674  18.92607       103.4082 -179.6030      
152.7100 187.0504       140.5305 15.62758 7.561858 26.81750 9.697580 -11.18992 
12.29735 
1 1 1 -21 1   23 o 31.84266 6.751670  279.7107       107.4879 136.9346       
148.8730 435.1925       155.3559 23.99354 9.649081 39.69177 9.446450 -15.69823 
13.50334 
1 1 1 -21 1   24 o 25.39448 6.646160  185.7468       99.12494 106.8465       
149.9716 246.9559       132.0921 22.03627 9.340776 28.75268 9.457044 -6.716404 
13.29232 
1 1 1 -21 2   1  o 143.7591 4.447165  4388.678       251.7313 4441.847       
441.1330 4363.003       306.5425 144.0419 7.294607 143.4763 5.088989 0.5655212 
8.894329 
1 1 1 -21 2   2  o 74.89415 4.170687  1107.708       119.1477 1401.929       
231.7553 1002.005       138.9114 81.00362 6.814694 68.78468 4.810246 12.21894 
8.341374 
1 1 1 -21 2   3  o 80.57313 4.247527  1361.118       137.8112 1457.113       
233.5630 1309.849       170.6905 82.57161 6.737432 78.57465 5.174257 3.996964 
8.495053 
1 1 1 -21 2   4  o 89.50319 4.117103  1792.402       141.2547 1475.442       
244.8739 1950.467       172.9256 82.98287 7.028702 96.02350 4.289462 -13.04063 
8.234205 
1 1 1 -21 2   5  f 155.6630 4.849413  5100.607       292.1202 5433.451       
534.7392 4959.025       348.7590 158.6272 8.029445 152.6988 5.440151 5.928406 
9.698826 
1 1 1 -21 2   6  o 105.2876 3.428296  2339.829       146.6407 2405.430       
241.2413 2301.385       184.6755 106.3101 5.405033 104.2651 4.218823 2.044945 
6.856591 
1 1 1 -21 2   7  o 107.5259 3.778011  2412.653       153.6331 2577.977       
292.9062 2349.909       180.4470 109.6940 6.360138 105.3578 4.079473 4.336243 
7.556022 
1 1 1 -21 2   8  o 24.83875 6.442837  108.3905       93.37579 -15.85594      
160.7173 171.7012       114.7253 21.64807 9.431546 28.02944 8.779894 -6.381378 
12.88567 
1 1 1 -21 2   9  o 61.08931 4.615270  759.6692       104.2299 896.9452       
210.3997 715.0237       119.9878 64.22844 7.802592 57.95018 4.931776 6.278259 
9.230539 
1 1 1 -21 2   10 o 54.66786 4.274606  634.3267       85.90260 658.0062       
169.8310 626.1856       99.58061 55.04809 7.348452 54.28763 4.369130 0.7604599 
8.549212 
1 1 1 -21 2   11 o 37.53952 5.925848  294.5747       80.32395 377.8348       
166.4325 269.2927       91.71193 40.30047 9.895878 34.77858 6.521832 5.521893 
11.85170 
1 1 1 -21 2   12 o 91.11156 3.502415  1680.483       111.7972 1954.531       
243.6633 1607.409       125.8227 95.11903 6.101601 87.10409 3.440657 8.014946 
7.004831 
1 1 1 -21 2   13 o 72.00724 3.821130  974.4943       98.44441 1406.564       
216.9048 862.4031       110.4785 80.39902 6.425982 63.61545 4.136530 16.78357 
7.642259 
1 1 1 -21 2   14 o 64.78284 4.313449  899.3533       114.2471 978.2045       
186.8830 852.2996       144.3651 66.78708 6.664973 62.77861 5.477364 4.008472 
8.626898 
1 1 1 -21 2   15 o 47.51719 5.889248  592.1927       104.9756 285.2068       
165.5336 798.7030       135.7680 34.33503 10.50473 60.69934 5.327637 -26.36430 
11.77850 
1 1 1 -21 2   16 o 43.20132 6.009583  432.3805       103.7636 485.9063       
163.2053 396.0642       134.4322 45.23852 8.910418 41.16413 8.066275 4.074387 
12.01917 
1 1 1 -21 2   17 o 21.15310 6.417846  22.36151       103.4033 -28.49864      
157.0352 61.29454       137.3939 20.15737 9.016111 22.14883 9.135903 -1.991455 
12.83569 
1 1 1 -21 2   18 o 44.49597 9.331732  488.3666       168.7483 488.3666       
168.7483 0.000000       0.000000 44.49597 9.331732 ?        ?        ? ? 
1 1 1 -21 2   19 o 23.30881 6.874444  66.89960       101.5516 133.1929       
193.4661 41.68738       119.3097 26.61534 10.88639 20.00228 8.397530 6.613062 
13.74889 
1 1 1 -21 2   20 f 36.32099 6.603760  373.9939       105.5013 203.7629       
200.1927 439.4509       124.1387 28.96365 11.34069 43.67833 6.769585 -14.71469 
13.20752 
1 1 1 -21 2   21 o 28.96836 6.905463  220.8137       99.57518 200.3150       
155.3252 235.1162       129.7434 27.95359 10.18670 29.98314 9.325924 -2.029551 
13.81093 
1 1 1 -21 2   22 o 27.28417 6.621892  178.1210       104.2046 30.82919       
149.9990 315.5122       144.8700 20.57577 9.036518 33.99257 9.681900 -13.41680 
13.24378 
1 1 1 -21 2   23 o 32.46009 8.087178  339.3976       138.1980 363.3119       
164.9626 283.1081       253.0876 35.10081 10.43652 29.81936 12.35673 5.281454 
16.17436 
1 1 1 -21 2   24 o 20.24128 6.236784  60.50420       100.5558 23.37321       
148.1189 92.24723       136.9514 19.27350 8.683325 21.20906 8.954876 -1.935562 
12.47357 
1 1 1 -21 2   25 o 19.64227 6.081195  56.01953       97.50721 8.088704       
145.5799 95.01627       131.3131 18.45185 8.415389 20.83268 8.780944 -2.380835 
12.16239 
1 1 1 -21 3   1  o 63.29279 4.572463  892.5812       112.9634 743.1956       
190.0364 974.2092       140.4760 58.79657 7.698496 67.78902 4.935871 -8.992451 
9.144925 
1 1 1 -21 3   2  o 27.99190 6.791283  146.5201       108.6427 -36.35441      
178.9981 253.1811       136.7020 22.38097 9.850139 33.60283 9.352051 -11.22186 
13.58257 
1 1 1 -21 3   3  o 72.79308 4.558084  1107.241       130.8153 1205.438       
232.5164 1061.764       158.2333 74.89932 7.394293 70.68683 5.331882 4.212494 
9.116168 
1 1 1 -21 3   4  o 54.86427 5.627329  677.1813       118.7789 595.1911       
196.9240 724.0693       148.9183 51.48405 9.464657 58.24448 6.089958 -6.760433 
11.25466 
1 1 1 -21 3   5  o 48.99460 6.263005  618.7741       114.2726 301.5220       
188.6793 802.5564       143.6064 36.60966 11.21807 61.37954 5.572772 -24.76988 
12.52601 
1 1 1 -21 3   6  o 53.18028 5.167657  609.0179       113.7099 613.6859       
176.5604 605.7095       148.6401 53.23660 7.899580 53.12396 6.664484 0.1126404 
10.33531 
1 1 1 -21 3   7  o 97.13518 3.244978  1995.384       125.4953 2027.232       
215.3910 1979.016       154.4118 97.54948 5.259249 96.72087 3.802607 0.8286057 
6.489955 
1 1 1 -21 3   8  o 113.7796 3.636442  2716.205       157.5232 2859.713       
295.9659 2659.487       186.0663 115.4995 6.103552 112.0597 3.954933 3.439766 
7.272884 
1 1 1 -21 3   9  o 86.11301 3.729189  1576.953       117.7254 1595.958       
232.5261 1570.403       136.5148 86.10858 6.432004 86.11743 3.775806 
-0.8850098E-02 7.458377 
1 1 1 -21 3   10 o 100.3898 3.727761  2031.166       131.4797 2386.948       
286.1089 1935.917       148.0369 105.1779 6.479297 95.60168 3.688293 9.576218 
7.455521 
1 1 1 -21 3   11 o 44.08638 5.386607  434.1925       87.45237 427.1880       
162.9138 437.0279       103.6523 43.03501 9.281431 45.13775 5.469659 -2.102741 
10.77321 
1 1 1 -21 3   12 o 91.61165 4.027864  1734.612       139.2856 1980.004       
269.9752 1645.603       162.5959 95.37452 6.742369 87.84878 4.408542 7.525742 
8.055729 
1 1 1 -21 3   13 o 64.10345 4.474362  922.1557       116.3147 713.2344       
173.3502 1093.240       156.8694 56.93313 7.252377 71.27377 5.242394 -14.34064 
8.948724 
1 1 1 -21 3   14 o 27.67560 6.638287  132.7978       98.17693 288.6204       
155.5646 29.65490       126.5655 34.76649 10.07550 20.58471 8.645905 14.18179 
13.27657 
1 1 1 -21 3   15 o 31.78024 6.668003  245.6542       99.16242 157.9456       
154.9719 306.4627       129.0370 27.56247 10.16227 35.99801 8.635811 -8.435541 
13.33601 
1 1 1 -21 3   16 o 38.26696 6.486307  349.7237       102.3283 387.2453       
155.9720 321.3687       135.5878 39.95486 9.437209 36.57906 8.900999 3.375801 
12.97261 
1 1 1 -21 3   17 o 72.24776 4.084466  1173.801       116.7839 1073.374       
196.1002 1228.992       145.3744 69.17001 6.752759 75.32551 4.596920 -6.155502 
8.168931 
1 1 1 -21 3   18 o 51.12959 5.834318  634.4628       117.9762 498.1734       
175.4789 746.8770       159.3693 44.69735 9.626409 57.56181 6.594643 -12.86446 
11.66864 
1 1 1 -21 3   19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 3   20 o 23.59297 6.427607  103.4292       91.02596 177.8076       
140.4596 49.57357       119.5208 27.01500 9.702428 20.17094 8.433231 6.844053 
12.85521 
1 1 1 -21 3   21 o 33.91316 6.799752  289.8428       99.06353 388.0341       
163.8446 233.2646       124.3712 37.86546 10.11228 29.96087 9.093309 7.904589 
13.59950 
1 1 1 -21 3   22 o 22.95149 6.678137  94.30510       104.3288 148.1233       
153.5053 48.10544       142.2258 25.11204 9.902861 20.79095 8.962334 4.321089 
13.35627 
1 1 1 -21 3   23 o 18.45460 5.950841  -21.12131      102.8666 -58.05114      
150.0083 11.65915       141.3299 17.73033 8.262205 19.17887 8.566563 -1.448542 
11.90168 
1 1 1 -21 3   24 f 29.60454 6.892538  258.8361       106.1451 383.3161       
154.5087 147.5817       146.0702 35.58012 9.955623 23.62896 9.534878 11.95116 
13.78508 
1 1 1 -21 3   25 o 20.49584 6.338329  68.11395       104.6233 123.9088       
151.6257 17.40678       144.5475 22.32886 9.424793 18.66283 8.477672 3.666023 
12.67666 
1 1 1 -21 4   1  f 74.87352 3.885440  1200.255       121.3037 1065.565       
174.2586 1326.882       168.9626 70.70152 5.870653 79.04552 5.091365 -8.344002 
7.770880 
1 1 1 -21 4   2  o 97.24651 3.597986  2041.209       143.8265 1816.828       
219.6327 2209.672       190.3075 92.35508 5.664444 102.1379 4.438027 -9.782852 
7.195972 
1 1 1 -21 4   3  o 72.12828 4.063869  1165.107       110.0825 977.0557       
198.7090 1248.376       132.2274 67.44413 7.017694 76.81242 4.100258 -9.368294 
8.127739 
1 1 1 -21 4   4  o 57.77771 4.890081  741.5649       114.3832 578.0797       
172.4548 869.9756       152.8400 51.68436 7.947623 63.87106 5.699724 -12.18670 
9.780162 
1 1 1 -21 4   5  o 75.70949 4.178567  1164.096       125.1082 1406.525       
225.4394 1056.208       150.3917 80.94984 6.633380 70.46915 5.083302 10.48069 
8.357135 
1 1 1 -21 4   6  o 62.03674 4.485183  802.9960       114.0951 928.8653       
186.9304 728.2639       144.0370 65.71309 6.775621 58.36040 5.878640 7.352688 
8.970366 
1 1 1 -21 4   7  o 21.75775 6.407478  35.62466       94.05175 -1.576941      
161.8177 54.60328       115.5787 22.16904 9.558089 21.34645 8.536161 0.8225937 
12.81496 
1 1 1 -21 4   8  o 79.50350 3.964040  1342.544       123.3408 1378.000       
219.2986 1326.139       149.1707 80.00340 6.529028 79.00360 4.497361 0.9998016 
7.928081 
1 1 1 -21 4   9  o 113.7193 3.844365  2493.340       145.8801 3239.689       
347.9941 2334.221       160.6799 122.4368 6.769879 105.0018 3.644902 17.43496 
7.688730 
1 1 1 -21 4   10 o 36.43322 6.265790  287.6205       88.83681 353.8505       
163.2950 259.7784       105.8756 38.99969 9.941418 33.86674 7.629463 5.132950 
12.53158 
1 1 1 -21 4   11 o 20.69196 5.660466  -1.789589      90.99225 -310.1291      
156.7680 154.8642       111.7412 14.71095 7.246164 26.67296 8.698081 -11.96201 
11.32093 
1 1 1 -21 4   12 o 47.00600 5.564586  500.9080       103.8399 466.8077       
164.4715 523.5101       133.9016 44.94876 9.033340 49.06323 6.500556 -4.114475 
11.12917 
1 1 1 -21 4   13 o 56.69192 4.706560  717.4517       109.0255 623.4565       
167.3495 786.7648       143.7075 53.08530 7.508811 60.29854 5.676672 -7.213245 
9.413120 
1 1 1 -21 4   14 o 38.04485 6.171325  362.9367       102.8572 173.1476       
159.8558 497.0265       134.3664 28.58090 10.34214 47.50880 6.736549 -18.92791 
12.34265 
1 1 1 -21 4   15 o 67.38098 4.309044  1005.688       117.9619 953.6854       
189.3310 1038.682       150.8107 65.54345 6.880396 69.21852 5.189565 -3.675072 
8.618088 
1 1 1 -21 4   16 o 42.75982 6.349376  461.0291       110.9498 300.2824       
171.7052 576.2562       145.3749 34.71819 10.71445 50.80145 6.816077 -16.08326 
12.69875 
1 1 1 -21 4   17 o 63.21820 4.850032  872.5441       124.1271 1005.088       
210.1223 801.4969       153.8389 66.34460 7.543756 60.09180 6.097784 6.252796 
9.700064 
1 1 1 -21 4   18 o 22.28156 6.505024  67.68888       98.46013 56.85061       
150.0646 75.88151       130.4699 22.37122 9.406171 22.19189 8.988066 0.1793251 
13.01005 
1 1 1 -21 4   19 o 25.28634 6.918075  132.8573       98.18629 126.9964       
186.0802 135.1187       115.5870 26.10480 10.67690 24.46789 8.800166 1.636915 
13.83615 
1 1 1 -21 4   20 o 31.03099 9.069999  246.1408       125.5411 0.000000       
0.000000 246.1408       125.5411 ?        ?        31.03099 9.069999 ? ? 
1 1 1 -21 4   21 o 19.55282 5.983839  13.10610       96.11006 -120.3712      
160.4322 87.82424       120.0330 17.40263 8.227909 21.70302 8.690616 -4.300392 
11.96768 
1 1 1 -21 4   22 o 36.75404 6.277051  358.4087       109.9125 148.4787       
155.2225 569.5181       155.6579 25.13242 9.943134 48.37564 7.664174 -23.24322 
12.55410 
1 1 1 -21 4   23 o 28.14915 7.003672  224.1218       106.8687 149.7664       
157.2211 287.9837       145.7054 24.66654 9.917505 31.63176 9.891852 -6.965219 
14.00734 
1 1 1 -21 4   24 o 40.49673 6.289114  474.8826       112.0649 259.3836       
158.1662 692.1203       158.8030 28.65017 10.29523 52.34328 7.226346 -23.69310 
12.57823 
1 1 1 -21 4   25 o 17.72083 5.761867  -9.289011      98.71709 -19.31360      
146.4929 -0.9501783     133.6090 17.77008 8.235887 17.67157 8.060185 
0.9850693E-01  11.52373 
1 1 1 -21 5   1  o 27.19913 6.828567  79.03268       106.4730 283.2258       
174.2348 -42.66463      134.5101 35.47502 10.76211 18.92325 8.407993 16.55177 
13.65713 
1 1 1 -21 5   2  o 79.25900 4.296845  1383.470       134.0187 1218.729       
225.9812 1472.845       166.4489 75.22961 7.154915 83.28838 4.760117 -8.058777 
8.593691 
1 1 1 -21 5   3  o 99.79368 3.941435  2146.081       163.3297 1860.968       
237.0863 2403.615       225.3283 93.27784 6.054092 106.3095 5.048526 -13.03168 
7.882871 
1 1 1 -21 5   4  o 73.76743 3.586813  1184.246       108.1290 1013.456       
165.5128 1311.413       142.8196 68.88547 5.723018 78.64938 4.325273 -9.763916 
7.173627 
1 1 1 -21 5   5  o 61.76942 4.660865  859.7440       112.0843 700.2029       
187.8147 947.9946       139.6857 56.79255 7.876969 66.74628 4.984777 -9.953732 
9.321730 
1 1 1 -21 5   6  o 69.64587 4.314533  1079.670       119.1155 901.3591       
194.3163 1187.006       150.7630 64.58631 7.166214 74.70542 4.806886 -10.11911 
8.629066 
1 1 1 -21 5   7  o 91.68506 4.116782  1779.531       145.8694 1855.351       
266.3059 1747.031       174.3511 92.71420 6.841567 90.65593 4.580887 2.058266 
8.233563 
1 1 1 -21 5   8  o 62.16677 4.540848  740.1073       107.9349 1070.839       
212.8037 625.5552       125.2398 70.26646 7.213602 54.06707 5.517350 16.19939 
9.081697 
1 1 1 -21 5   9  o 45.71902 5.988877  493.7202       98.46010 412.4924       
186.9047 524.9201       115.8363 41.95541 10.60077 49.48262 5.575876 -7.527210 
11.97775 
1 1 1 -21 5   10 o 17.74417 5.768174  -94.78088      99.66673 -198.1984      
162.0616 -31.87451      126.3952 16.99776 8.123452 18.49059 8.191266 -1.492823 
11.53635 
1 1 1 -21 5   11 o 85.85935 4.051156  1598.952       144.8652 1392.225       
206.9787 1797.464       202.8250 80.21548 6.145944 91.50323 5.279662 -11.28775 
8.102312 
1 1 1 -21 5   12 o 109.0902 3.973128  2546.434       168.4292 2630.974       
303.5294 2508.822       202.4595 109.8230 6.583068 108.3575 4.450414 1.465576 
7.946255 
1 1 1 -21 5   13 o 48.42278 4.871797  517.0291       98.75238 483.9696       
141.5740 548.3568       137.8157 46.80823 7.204144 50.03734 6.560329 -3.229111 
9.743594 
1 1 1 -21 5   14 o 61.32360 4.362536  839.2430       107.7921 758.9356       
173.8261 889.4196       137.4004 58.49280 7.078377 64.15440 5.101319 -5.661602 
8.725072 
1 1 1 -21 5   15 o 73.86929 4.043240  1161.912       121.1920 1313.531       
203.5768 1078.682       150.8314 77.20186 6.280895 70.53671 5.093280 6.665146 
8.086479 
1 1 1 -21 5   16 o 86.93084 4.327675  1682.804       145.7101 1634.927       
259.0688 1704.957       176.2254 85.13683 7.248007 88.72485 4.730907 -3.588013 
8.655351 
1 1 1 -21 5   17 o 18.35662 5.894101  -64.53092      98.75749 7.551865       
151.3364 -117.9943      130.3335 20.84694 9.116633 15.86631 7.473199 4.980631 
11.78820 
1 1 1 -21 5   18 o 44.01071 5.321101  452.4905       95.64489 399.0623       
133.9512 508.0630       136.6126 40.76915 8.113853 47.25227 6.886352 -6.483128 
10.64220 
1 1 1 -21 5   19 o 67.63294 4.462536  1033.437       122.2007 1044.401       
200.7748 1026.986       154.0133 67.25109 7.111005 68.01479 5.393564 
-0.7637024     8.925073 
1 1 1 -21 5   20 o 27.11895 6.693134  178.8076       94.45734 225.5047       
138.4512 138.1460       129.1944 29.54587 9.682003 24.69203 9.243972 4.853840 
13.38627 
1 1 1 -21 5   21 o 38.10130 6.165521  386.4487       94.96677 307.3337       
163.5909 426.6618       116.6309 33.27435 10.49652 42.92826 6.471300 -9.653908 
12.33104 
1 1 1 -21 5   22 o 42.53077 9.516593  485.0228       165.6478 485.0228       
165.6478 0.000000       0.000000 42.53077 9.516593 ?        ?        ? ? 
1 1 1 -21 5   23 o 32.89259 6.704475  310.9540       106.4611 175.3204       
154.0182 435.0508       147.3223 25.64740 9.966624 40.13779 8.970303 -14.49039 
13.40895 
1 1 1 -21 5   24 o 25.21397 6.920766  183.9915       107.2397 133.1794       
157.2821 228.1363       146.6004 23.12689 9.671934 27.30105 9.901602 -4.174158 
13.84153 
1 1 1 -21 6   1  o 91.81307 3.640533  1802.895       138.1772 1748.900       
213.1388 1842.041       181.4807 90.49911 5.609695 93.12703 4.641686 -2.627914 
7.281066 
1 1 1 -21 6   2  o 121.4594 4.084559  3181.642       204.7099 2986.211       
314.4070 3325.459       269.7124 117.9644 6.348372 124.9543 5.141273 -6.989914 
8.169119 
1 1 1 -21 6   3  o 103.0262 4.193487  2255.616       163.3599 2310.364       
308.1649 2234.218       192.6568 103.4598 7.094676 102.5925 4.472906 0.8672791 
8.386973 
1 1 1 -21 6   4  o 48.66342 6.180008  589.9850       114.2708 324.9126       
181.5117 764.0172       147.0744 37.58400 10.88058 59.74284 5.863707 -22.15884 
12.36002 
1 1 1 -21 6   5  o 74.00121 3.873609  1168.563       120.0122 1188.869       
177.0584 1151.304       163.2296 74.55228 5.656876 73.45013 5.293312 1.102158 
7.747218 
1 1 1 -21 6   6  o 92.18404 3.609395  1744.975       123.9025 1961.299       
244.9336 1670.582       143.6359 95.56544 6.104760 88.80263 3.852639 6.762817 
7.218790 
1 1 1 -21 6   7  o 115.4498 4.622693  2848.976       194.3564 2928.980       
388.5239 2822.274       224.4598 115.7500 7.994991 115.1497 4.642980 0.6002655 
9.245385 
1 1 1 -21 6   8  o 85.82054 4.344156  1606.455       149.2705 1514.089       
247.7566 1659.089       187.0258 83.50879 7.066660 88.13229 5.054610 -4.623497 
8.688313 
1 1 1 -21 6   9  o 42.31442 6.277775  395.4743       106.0810 494.1654       
171.6391 334.4757       134.9388 46.43599 9.129359 38.19286 8.619549 8.243130 
12.55555 
1 1 1 -21 6   10 o 29.08801 6.524284  183.5621       92.85835 257.3981       
132.2018 111.6603       130.4586 33.35460 9.163284 24.82141 9.289744 8.533197 
13.04857 
1 1 1 -21 6   11 o 22.67326 6.549536  56.89322       99.06522 15.94951       
154.7548 85.32013       128.9482 22.00323 9.412856 23.34328 9.109545 -1.340059 
13.09907 
1 1 1 -21 6   12 o 20.60279 6.276462  -5.080778      97.65500 57.28716       
153.2093 -47.75777      126.7364 23.35658 9.642446 17.84900 8.037357 5.507576 
12.55292 
1 1 1 -21 6   13 o 64.45837 4.574750  909.4798       118.3602 917.4158       
198.7149 905.1163       147.3498 64.26622 7.364930 64.65051 5.428734 
-0.3842926     9.149500 
1 1 1 -21 6   14 o 71.97786 4.055916  1115.826       119.3180 1193.460       
194.6772 1069.116       151.0051 73.68024 6.293396 70.27547 5.118103 3.404762 
8.111832 
1 1 1 -21 6   15 o 77.00103 3.829690  1193.178       116.7584 1608.211       
212.5848 1013.900       139.7184 85.56696 5.917622 68.43510 4.862905 17.13185 
7.659379 
1 1 1 -21 6   16 o 35.92870 6.526402  330.7539       103.8854 198.4135       
160.1929 426.8048       136.4734 29.22216 10.37487 42.63523 7.920720 -13.41307 
13.05280 
1 1 1 -21 6   17 o 96.27972 4.303215  2143.978       161.3667 1811.939       
271.7264 2324.873       200.5626 89.12025 7.262339 103.4392 4.618340 -14.31894 
8.606430 
1 1 1 -21 6   18 o 50.87643 5.305136  619.9830       104.8029 536.7266       
168.1470 672.8730       134.0193 46.80599 8.878429 54.94687 5.809592 -8.140873 
10.61027 
1 1 1 -21 6   19 o 51.88993 5.412384  611.4131       112.9076 709.1058       
194.0921 561.4445       138.8116 54.25704 8.520651 49.52282 6.676385 4.734222 
10.82477 
1 1 1 -21 6   20 o 29.44097 6.341039  220.1169       92.07515 117.3573       
133.3704 313.6932       127.2715 23.70537 9.261645 35.17656 8.663547 -11.47119 
12.68208 
1 1 1 -21 6   21 o 40.32707 5.871652  401.8439       97.86364 500.4696       
145.1212 319.5850       132.5339 45.65276 7.571550 35.00137 8.976460 10.65139 
11.74330 
1 1 1 -21 6   22 o 30.18227 7.212929  254.2932       108.5624 287.6441       
160.3214 226.0499       147.5352 31.70606 10.41868 28.65848 9.977801 3.047586 
14.42586 
1 1 1 -21 6   23 o 31.55767 11.92830  332.7635       216.3523 332.7635       
216.3523 0.000000       0.000000 31.55767 11.92830 ?        ?        ? ? 
1 1 1 -21 6   24 o 21.77050 6.491614  105.5260       101.6368 116.2666       
141.0912 93.94041       146.5355 22.13747 9.203003 21.40354 9.157998 0.7339325 
12.98323 
1 1 1 -21 7   1  o 78.62543 4.172992  1348.680       132.8676 1225.405       
212.6379 1427.643       170.1812 75.38544 6.718529 81.86543 4.951447 -6.479980 
8.345984 
1 1 1 -21 7   2  o 46.54630 6.180362  495.2493       112.7691 443.4798       
186.1765 525.2492       141.7258 43.76739 10.29316 49.32520 6.843859 -5.557812 
12.36072 
1 1 1 -21 7   3  o 20.81322 6.147004  26.80180       89.09077 29.46963       
134.5412 24.71849       118.8919 21.45552 8.957393 20.17093 8.420673 1.284590 
12.29401 
1 1 1 -21 7   4  o 98.53548 4.320080  2118.349       174.4174 1911.877       
269.9687 2266.275       228.5097 94.06542 6.836039 103.0055 5.284029 -8.940125 
8.640161 
1 1 1 -21 7   5  o 91.75323 3.978194  1814.844       139.0826 1775.191       
255.9804 1831.453       165.6698 90.64191 6.726649 92.86457 4.249270 -2.222664 
7.956388 
1 1 1 -21 7   6  o 40.34732 5.742641  370.3707       93.52929 345.4879       
138.4235 391.2735       126.8711 38.88355 8.698775 41.81109 7.499535 -2.927540 
11.48528 
1 1 1 -21 7   7  o 55.06576 5.327583  673.9711       118.3970 612.8350       
190.6260 712.3662       151.0677 52.66731 8.621088 57.46420 6.261742 -4.796890 
10.65517 
1 1 1 -21 7   8  o 33.65327 7.036046  260.0411       104.9486 263.0809       
166.0254 258.0182       135.4408 33.85546 10.55348 33.45108 9.308482 0.4043770 
14.07209 
1 1 1 -21 7   9  o 27.18129 6.539451  147.0983       93.54549 69.25509       
130.6268 229.0444       134.0252 22.75851 9.084301 31.60406 9.409205 -8.845545 
13.07890 
1 1 1 -21 7   10 o 58.04618 4.902637  678.0332       114.2019 1050.160       
193.1387 477.9839       141.6096 69.41998 6.626833 46.67239 7.226928 22.74758 
9.805274 
1 1 1 -21 7   11 o 71.94755 4.196338  1114.835       121.7769 1151.903       
203.6840 1094.214       151.9189 72.55937 6.686278 71.33572 5.072543 1.223648 
8.392676 
1 1 1 -21 7   12 o 34.78594 6.407260  299.0814       102.0028 140.1649       
156.9254 415.3501       134.2271 26.97752 10.17009 42.59436 7.796235 -15.61684 
12.81452 
1 1 1 -21 7   13 o 78.83427 4.052063  1296.440       128.5914 1558.210       
222.4067 1164.988       157.6053 84.26598 6.286611 73.40257 5.114233 10.86341 
8.104126 
1 1 1 -21 7   14 o 58.49698 4.818500  762.9946       113.8715 749.7993       
186.9079 770.7833       143.5982 57.63104 7.724890 59.36291 5.761756 -1.731869 
9.636999 
1 1 1 -21 7   15 o 52.04073 5.443792  639.9478       110.6455 536.1320       
173.7760 710.7309       143.4905 47.31730 9.071207 56.76415 6.021020 -9.446846 
10.88758 
1 1 1 -21 7   16 o 17.09685 5.658588  -117.9946      99.73798 -47.19707      
154.0862 -169.0475      130.8474 19.38201 8.787537 14.81169 7.131456 4.570319 
11.31718 
1 1 1 -21 7   17 o 34.84030 6.527598  314.0042       104.3147 168.2134       
157.5328 427.8489       139.2074 27.37938 10.21597 42.30122 8.128477 -14.92184 
13.05520 
1 1 1 -21 7   18 f 35.56635 6.634708  311.4054       98.63061 373.5945       
158.9607 272.4764       125.7676 38.11106 9.861735 33.02164 8.878265 5.089424 
13.26942 
1 1 1 -21 7   19 o 52.41776 5.563315  592.1846       113.5487 946.9971       
197.7982 417.7828       138.6751 63.60455 7.407222 41.23098 8.302709 22.37357 
11.12663 
1 1 1 -21 7   20 f 36.51466 5.792929  329.4631       85.08688 348.6168       
136.1087 317.1761       109.0140 36.89677 8.880577 36.13254 7.440930 0.7642326 
11.58586 
1 1 1 -21 7   21 f 42.54436 5.779640  448.0359       100.9037 529.2041       
147.4673 376.5777       138.3659 46.93719 7.483413 38.15152 8.809964 8.785679 
11.55928 
1 1 1 -21 7   22 o 60.47147 4.319824  850.3885       109.5570 861.3259       
158.9205 840.4828       151.2387 60.71961 6.234076 60.22334 5.981623 0.4962654 
8.639648 
1 1 1 -21 7   23 o 25.21952 6.797279  171.1938       104.9902 88.49203       
162.7651 230.1238       137.3953 22.20753 9.580488 28.23151 9.645012 -6.023981 
13.59456 
1 1 1 -21 7   24 o 24.68469 9.738276  177.8497       148.5010 0.000000       
0.000000 177.8497       148.5010 ?        ?        24.68469 9.738276 ? ? 
1 1 1 -21 8   1  o 39.06563 7.550583  340.0955       116.7396 388.7586       
227.2434 322.6484       136.0669 40.58802 12.28616 37.54324 8.780404 3.044785 
15.10117 
1 1 1 -21 8   2  o 65.76855 4.995911  942.6677       119.1197 929.4032       
236.8857 947.1571       137.8112 64.90781 8.692865 66.62930 4.926519 -1.721497 
9.991821 
1 1 1 -21 8   3  o 33.42660 6.846822  213.8224       107.8372 426.0044       
176.5421 87.53497       136.1991 42.83270 9.991049 24.02051 9.364552 18.81219 
13.69364 
1 1 1 -21 8   4  o 40.36553 5.847281  361.3687       97.89585 528.8868       
145.6526 223.3397       132.2125 49.35321 7.029490 31.37786 9.346072 17.97535 
11.69456 
1 1 1 -21 8   5  o 78.89558 4.749953  1385.223       151.6284 1181.459       
237.5010 1525.421       197.0025 73.47666 7.699049 84.31449 5.565325 -10.83783 
9.499906 
1 1 1 -21 8   6  o 73.29324 4.380994  1157.093       132.1280 1173.511       
209.0976 1146.181       170.4762 73.52671 6.773685 73.05978 5.557844 0.4669266 
8.761989 
1 1 1 -21 8   7  o 72.98875 4.282432  1123.484       126.7142 1252.794       
212.9341 1052.584       157.6710 75.94566 6.678260 70.03183 5.362624 5.913834 
8.564864 
1 1 1 -21 8   8  o 18.73034 5.983358  -59.90667      100.3274 -116.9104      
157.3447 -20.85246      130.2370 18.35240 8.517169 19.10827 8.405957 
-0.7558727     11.96672 
1 1 1 -21 8   9  o 93.59395 3.405439  1882.524       133.0514 1651.914       
187.8109 2114.872       188.5174 87.70657 5.100463 99.48132 4.513682 -11.77476 
6.810877 
1 1 1 -21 8   10 o 52.65222 4.989161  592.6079       108.6247 714.9078       
172.7908 512.6927       139.6762 56.96104 7.225430 48.34340 6.881866 8.617638 
9.978322 
1 1 1 -21 8   11 o 86.86554 3.924776  1670.349       139.5120 1307.190       
203.1068 1994.752       191.9639 77.36464 6.253211 96.36643 4.744767 -19.00179 
7.849551 
1 1 1 -21 8   12 o 116.2823 4.136309  2950.951       187.0149 2938.261       
333.0921 2956.792       225.9972 115.2683 6.882966 117.2964 4.589224 -2.028137 
8.272617 
1 1 1 -21 8   13 o 30.51459 6.975860  204.1996       102.0170 300.8679       
162.5285 141.3517       131.0487 35.08959 10.34041 25.93959 9.366232 9.150002 
13.95172 
1 1 1 -21 8   14 o 92.56916 3.562278  1880.714       135.1039 1755.918       
211.3375 1966.964       175.6937 89.56842 5.620083 95.56990 4.378809 -6.001480 
7.124557 
1 1 1 -21 8   15 o 52.38216 5.073327  616.8834       110.3207 641.8817       
170.2848 598.8019       144.8236 53.03848 7.647261 51.72584 6.668880 1.312641 
10.14665 
1 1 1 -21 8   16 o 63.83255 3.933650  897.0703       104.6907 911.9588       
157.9824 885.4131       139.7910 64.13097 5.867620 63.53413 5.240748 0.5968399 
7.867301 
1 1 1 -21 8   17 o 68.17599 4.731255  1038.874       131.6610 1121.712       
215.5715 989.5895       166.2762 69.77930 7.358441 66.57267 5.949154 3.206635 
9.462510 
1 1 1 -21 8   18 o 24.91538 6.484250  139.4494       89.47379 128.6943       
129.3400 149.3197       123.9050 24.42990 9.226150 25.40087 9.113735 
-0.9709663     12.96850 
1 1 1 -21 8   19 o 56.92980 5.484838  813.9602       117.5740 604.5983       
186.6435 951.6971       151.3871 48.66480 9.473266 65.19481 5.530916 -16.53001 
10.96968 
1 1 1 -21 8   20 o 26.43230 6.681145  172.3763       94.91044 209.9916       
135.3346 135.9713       133.1396 28.41694 9.572412 24.44766 9.323075 3.969278 
13.36229 
1 1 1 -21 8   21 o 48.16674 5.147315  552.9524       100.0037 695.5812       
148.9496 435.8931       134.9393 54.57885 6.500338 41.75463 7.982794 12.82422 
10.29463 
1 1 1 -21 8   22 o 28.00599 6.804304  215.6889       97.26685 245.4291       
138.6083 186.8348       136.5275 29.60502 9.687494 26.40697 9.557544 3.198050 
13.60861 
1 1 1 -21 8   23 o 27.48591 6.455846  214.0765       90.46328 148.1409       
128.8675 278.1363       127.0213 23.73589 9.138686 31.23592 9.121197 -7.500031 
12.91169 
1 1 1 -21 8   24 o 18.68749 5.908672  29.68794       95.03510 43.36423       
131.5048 14.73733       137.4951 19.02157 8.399899 18.35342 8.312118 0.6681499 
11.81734 
1 1 1 -21 9   1  o 135.1796 5.234353  3929.224       261.9292 4139.782       
512.8304 3854.910       304.6652 136.3315 8.959810 134.0277 5.414387 2.303726 
10.46871 
1 1 1 -21 9   2  o 33.16876 7.241389  244.2065       110.1946 308.1133       
171.6591 199.4126       143.7153 36.30568 10.60403 30.03185 9.864347 6.273830 
14.48278 
1 1 1 -21 9   3  o 66.99297 3.983520  938.0634       110.3384 1132.687       
175.5931 811.0714       141.8396 72.53613 5.765992 61.44981 5.497914 11.08631 
7.967040 
1 1 1 -21 9   4  o 72.54489 4.362565  1159.156       127.3559 1054.011       
206.6759 1223.521       161.7051 69.50867 7.082261 75.58111 5.096025 -6.072433 
8.725130 
1 1 1 -21 9   5  o 72.74274 4.207861  1099.717       125.5016 1348.221       
206.5132 954.1956       158.0320 78.91621 6.233080 66.56927 5.654475 12.34695 
8.415722 
1 1 1 -21 9   6  o 91.81081 4.442071  1862.026       166.9093 1635.304       
256.3632 2028.841       219.9007 86.48217 7.060738 97.13945 5.392026 -10.65728 
8.884142 
1 1 1 -21 9   7  o 74.80420 4.084425  1196.828       125.1472 1263.865       
202.5337 1155.425       159.1696 76.27050 6.325017 73.33790 5.169551 2.932602 
8.168850 
1 1 1 -21 9   8  o 22.50799 6.398790  43.54332       101.1712 -92.70241      
158.8315 136.5645       131.2399 18.98736 8.710729 26.02863 9.375568 -7.041267 
12.79758 
1 1 1 -21 9   9  o 60.66832 4.279126  795.5375       105.4193 819.7980       
173.4214 781.3188       132.7650 61.13804 6.756351 60.19860 5.253132 0.9394341 
8.558251 
1 1 1 -21 9   10 o 66.81153 4.523065  957.6172       122.3982 1052.926       
205.4302 905.1616       152.4029 69.02168 7.089242 64.60139 5.619173 4.420288 
9.046130 
1 1 1 -21 9   11 o 57.67821 4.105528  722.2324       98.74319 749.0954       
149.6075 701.4982       131.4381 58.51849 6.089496 56.83792 5.508131 1.680576 
8.211057 
1 1 1 -21 9   12 o 30.55830 6.425864  174.7335       94.80657 385.6079       
158.9866 58.36886       118.1025 39.95351 9.586400 21.16308 8.559663 18.79043 
12.85173 
1 1 1 -21 9   13 o 27.58323 6.522712  175.0111       89.21847 154.0169       
131.2422 193.0489       121.6510 26.51417 9.392982 28.65228 9.052897 -2.138109 
13.04542 
1 1 1 -21 9   14 o 21.18936 6.240110  19.90119       101.0137 -126.6278      
158.1861 120.7946       131.2617 17.74350 8.325785 24.63522 9.297160 -6.891726 
12.48022 
1 1 1 -21 9   15 o 28.02165 6.932365  167.2390       98.69626 256.7693       
163.3004 115.7144       123.8824 32.06723 10.51503 23.97608 9.036861 8.091152 
13.86473 
1 1 1 -21 9   16 o 20.39942 6.074812  -5.481565      100.9555 -189.3958      
156.6662 125.1217       132.0215 16.21302 7.805484 24.58582 9.310628 -8.372799 
12.14962 
1 1 1 -21 9   17 o 53.53146 5.230870  656.9688       115.6205 703.6762       
182.7583 625.8000       149.2946 54.70553 7.957321 52.35738 6.791838 2.348152 
10.46174 
1 1 1 -21 9   18 f 87.61754 4.018297  1717.557       147.3492 1745.153       
217.7128 1694.233       200.1585 88.06308 5.888588 87.17199 5.469130 0.8910904 
8.036594 
1 1 1 -21 9   19 o 21.21483 6.442173  45.32494       102.9447 0.2417547      
166.8294 73.04694       130.8211 20.81528 9.302155 21.61438 8.914949 
-0.7991085     12.88435 
1 1 1 -21 9   20 o 24.03963 6.483718  122.4856       94.57725 193.3928       
134.9077 53.95630       132.6264 27.35995 9.539764 20.71931 8.783355 6.640640 
12.96744 
1 1 1 -21 9   21 o 60.19614 4.136186  833.3297       104.3709 822.4000       
151.0371 843.3191       144.3926 59.65392 6.030672 60.73835 5.662433 -1.084438 
8.272372 
1 1 1 -21 9   22 o 48.66539 5.401560  590.3535       103.8951 790.8066       
152.5202 416.8136       141.9124 57.84918 6.279878 39.48159 8.790366 18.36758 
10.80312 
1 1 1 -21 9   23 o 17.56477 5.717201  -22.65879      97.29320 6.569509       
137.2057 -52.21972      137.9843 18.34021 8.304895 16.78934 7.859660 1.550867 
11.43440 
1 1 1 -21 9   24 o 62.59705 4.003706  923.1874       103.9806 753.1371       
139.7937 1133.784       155.5696 55.80592 5.966621 69.38819 5.340233 -13.58228 
8.007413 
1 1 1 -21 10  1  o 47.00304 6.609186  515.9695       121.3101 480.1987       
206.6340 534.7822       149.8524 44.65683 11.06402 49.34925 7.232759 -4.692425 
13.21837 
1 1 1 -21 10  2  o 33.51214 6.758232  238.5042       107.3979 413.9224       
163.9545 106.6636       142.1381 42.03186 9.511730 24.99242 9.603218 17.03944 
13.51646 
1 1 1 -21 10  3  o 74.66966 4.457649  1193.570       135.7449 1287.032       
223.1701 1138.686       171.0194 76.69070 6.931295 72.64864 5.607110 4.042061 
8.915298 
1 1 1 -21 10  4  o 112.2990 3.963861  2706.358       177.5083 2772.190       
303.7920 2672.230       218.7325 112.8555 6.411722 111.7425 4.662468 1.112991 
7.927722 
1 1 1 -21 10  5  o 37.31647 6.936641  322.2565       108.6520 376.1618       
171.3811 286.0299       140.4951 39.72995 10.21848 34.90300 9.383531 4.826950 
13.87328 
1 1 1 -21 10  6  o 46.97869 6.020059  531.1061       110.6284 377.7243       
171.5589 640.2840       144.7417 39.75766 10.22270 54.19973 6.360885 -14.44207 
12.04012 
1 1 1 -21 10  7  o 41.56672 5.875901  397.1691       98.86613 449.1044       
144.3331 351.2599       135.7014 44.27687 8.062778 38.85657 8.549647 5.420296 
11.75180 
1 1 1 -21 10  8  o 66.42561 4.619845  992.2386       123.9966 853.5280       
195.1636 1086.134       160.5701 61.98264 7.499800 70.86857 5.396748 -8.885925 
9.239691 
1 1 1 -21 10  9  o 118.0374 3.625138  3028.790       175.5576 2908.760       
276.0782 3110.276       227.4730 115.6815 5.684463 120.3933 4.500375 -4.711800 
7.250276 
1 1 1 -21 10  10 o 34.16460 6.271824  228.5706       104.4028 514.2243       
166.3354 42.87776       134.1104 46.83865 8.782892 21.49056 8.955665 25.34808 
12.54365 
1 1 1 -21 10  11 o 41.67154 6.260418  403.8843       104.5375 459.7035       
166.4657 367.5376       134.3276 43.80932 9.328510 39.53377 8.351660 4.275551 
12.52084 
1 1 1 -21 10  12 o 34.95281 6.792985  302.5207       100.8805 268.0144       
171.5574 320.7583       124.7222 33.09071 10.77759 36.81490 8.271768 -3.724190 
13.58597 
1 1 1 -21 10  13 o 45.64118 5.901284  483.9791       108.6713 505.7058       
170.9457 469.2440       140.7785 45.75557 9.222418 45.52679 7.365299 0.2287788 
11.80257 
1 1 1 -21 10  14 o 63.29808 3.929378  872.5972       103.6046 954.5807       
158.9761 812.0721       136.5954 65.74703 5.759392 60.84912 5.346911 4.897911 
7.858756 
1 1 1 -21 10  15 o 66.86188 4.639719  1012.709       126.0772 980.5498       
202.9443 1032.922       160.8907 65.37776 7.393802 68.34600 5.607106 -2.968239 
9.279437 
1 1 1 -21 10  16 o 21.57927 6.370662  40.82600       102.5312 -70.26013      
158.2200 121.2486       134.6233 18.81329 8.657284 24.34525 9.348410 -5.531961 
12.74132 
1 1 1 -21 10  17 o 55.76937 4.817015  716.7192       103.4446 452.3995       
139.9398 1035.151       153.5976 43.25764 8.006625 68.28111 5.358028 -25.02348 
9.634029 
1 1 1 -21 10  18 o 67.18168 4.627864  1014.744       128.4652 1159.237       
204.7076 920.8682       165.0008 70.72991 6.893692 63.63345 6.176206 7.096466 
9.255729 
1 1 1 -21 10  19 o 32.67226 7.254242  271.6406       109.3660 391.4521       
179.9089 201.4144       137.7377 37.39619 10.83444 27.94832 9.649400 9.447870 
14.50848 
1 1 1 -21 10  20 o 42.94142 5.348583  463.1173       90.41853 255.9492       
126.0563 682.6602       129.7666 31.09443 9.088605 54.78841 5.641509 -23.69398 
10.69717 
1 1 1 -21 10  21 o 35.51131 6.449226  344.7791       98.71694 265.5106       
142.3347 418.2493       137.0300 30.78804 9.798908 40.23457 8.387577 -9.446535 
12.89845 
1 1 1 -21 10  22 o 86.45387 4.045098  1744.239       146.6774 1654.709       
206.5142 1835.381       208.3645 84.00800 5.855316 88.89976 5.582700 -4.891762 
8.090196 
1 1 1 -21 10  23 o 41.98177 5.786580  471.0633       99.63525 375.2968       
136.1189 581.5939       146.2355 36.20670 8.985673 47.75683 7.293539 -11.55013 
11.57316 
1 1 1 -21 11  1  o 58.43355 5.292474  760.5367       127.3380 742.2101       
198.7059 773.3076       165.8744 57.50249 8.230861 59.36460 6.655379 -1.862110 
10.58495 
1 1 1 -21 11  2  o 103.1982 3.925013  2340.407       167.2361 2015.723       
247.6045 2612.774       226.7803 96.16992 6.132538 110.2265 4.900499 -14.05657 
7.850027 
1 1 1 -21 11  3  o 47.13763 6.156074  480.8148       116.3936 765.9279       
187.1756 301.0542       148.6237 58.70276 7.594721 35.57251 9.690676 23.13025 
12.31215 
1 1 1 -21 11  4  f 44.44534 5.918765  457.1362       102.8005 431.5626       
172.3568 471.2572       128.0752 42.53407 9.839767 46.35661 6.580736 -3.822536 
11.83753 
1 1 1 -21 11  5  o 46.56024 6.093050  503.5511       114.5025 459.3915       
174.5547 536.9047       151.7017 43.92347 9.724029 49.19701 7.344677 -5.273537 
12.18610 
1 1 1 -21 11  6  o 65.07776 4.013486  904.7896       108.7237 1075.280       
166.0204 776.7660       143.8656 70.37873 5.618767 59.77679 5.732517 10.60194 
8.026973 
1 1 1 -21 11  7  o 33.71677 7.073048  273.2878       106.4008 257.5549       
168.8316 283.6535       137.0408 32.92465 10.69162 34.50890 9.262892 -1.584251 
14.14610 
1 1 1 -21 11  8  o 25.61066 6.509846  114.6277       102.5645 -52.28947      
159.4302 232.4838       133.9665 19.89581 8.983764 31.32550 9.423608 -11.42969 
13.01969 
1 1 1 -21 11  9  o 46.53897 4.896820  483.7181       94.52224 463.7472       
143.2132 499.1324       125.8189 45.45855 7.503925 47.61940 6.293367 -2.160847 
9.793639 
1 1 1 -21 11  10 o 23.14338 6.624314  75.10580       100.8053 25.70891       
159.4241 108.0116       130.1189 22.18725 9.524713 24.09951 9.209017 -1.912256 
13.24863 
1 1 1 -21 11  11 o 31.72958 6.911603  245.2678       100.7834 227.3969       
157.7772 257.5857       130.9900 30.83486 10.33568 32.62430 9.179039 -1.789446 
13.82321 
1 1 1 -21 11  12 o 66.45428 3.946728  938.8914       108.3275 1164.437       
172.7079 792.6071       139.0892 72.78890 5.651555 60.11967 5.510588 12.66923 
7.893456 
1 1 1 -21 11  13 o 83.46300 4.182708  1523.766       141.8502 1620.652       
234.4335 1467.807       178.1663 85.02180 6.567656 81.90419 5.181320 3.117615 
8.365416 
1 1 1 -21 11  14 o 24.11735 6.723279  79.97531       103.3875 195.4048       
160.4377 -1.999260      135.2034 28.76294 10.36560 19.47175 8.565298 9.291191 
13.44656 
1 1 1 -21 11  15 o 43.09647 5.761828  452.4422       95.31262 412.5508       
164.2275 472.7033       117.0409 40.25698 9.796114 45.93597 6.068840 -5.678997 
11.52366 
1 1 1 -21 11  16 o 28.39319 7.104468  195.3400       104.8330 224.4075       
163.6398 175.1063       136.5283 29.77165 10.49435 27.01472 9.579273 2.756929 
14.20894 
1 1 1 -21 11  17 o 48.03978 5.999630  583.0743       113.8172 453.7652       
173.1017 681.5536       151.0633 41.57743 10.01986 54.50212 6.601865 -12.92469 
11.99926 
1 1 1 -21 11  18 o 34.29687 6.964819  319.3752       107.3699 262.5077       
164.2136 361.8413       141.9052 31.14738 10.54439 37.44635 9.102237 -6.298971 
13.92964 
1 1 1 -21 11  19 o 22.39023 6.519880  89.92873       96.28194 63.85007       
167.0716 102.8965       117.8129 22.51696 9.710098 22.26350 8.703409 0.2534599 
13.03976 
1 1 1 -21 11  20 o 22.32200 6.193251  99.87411       89.64650 18.37700       
137.4968 160.1334       118.2316 19.48694 8.599372 25.15706 8.914944 -5.670122 
12.38650 
1 1 1 -21 11  21 o 65.75319 4.173530  1003.786       115.0409 1073.542       
167.9337 942.1068       157.9131 67.91283 5.889887 63.59355 5.914611 4.319283 
8.347059 
1 1 1 -21 11  22 o 42.15936 6.086528  483.4132       104.1419 465.1335       
148.3458 501.1763       146.2347 41.04484 8.860669 43.27387 8.346965 -2.229031 
12.17306 
1 1 1 -21 11  23 o 20.19773 6.195230  53.37835       101.4784 -36.52401      
142.4122 146.1129       144.6380 17.19595 8.027543 23.19950 9.438329 -6.003555 
12.39046 
1 1 1 -21 12  1  o 33.01337 7.106616  263.9912       108.8675 213.2722       
162.9174 304.9123       146.3374 30.45991 10.49654 35.56683 9.583243 -5.106928 
14.21323 
1 1 1 -21 12  2  o 73.58594 4.370454  1170.231       130.4240 1257.307       
217.1718 1121.109       163.1151 75.32212 6.867553 71.84975 5.407419 3.472366 
8.740908 
1 1 1 -21 12  3  o 33.31110 7.134280  267.0791       107.8228 262.0865       
164.0415 270.8768       143.0697 33.03626 10.52012 33.58593 9.639446 
-0.5496635     14.26856 
1 1 1 -21 12  4  o 33.97615 6.320168  269.3951       91.94063 339.8470       
138.0655 213.2603       123.2410 37.84764 8.840158 30.10466 9.034915 7.742977 
12.64034 
1 1 1 -21 12  5  f 26.08086 7.035125  126.9065       105.6421 153.9892       
165.7117 108.3637       137.1181 27.66714 10.44477 24.49459 9.427547 3.172558 
14.07025 
1 1 1 -21 12  6  o 28.93824 6.957640  189.2256       106.3375 96.00832       
162.1420 259.5797       140.8615 25.01432 10.06564 32.86215 9.608225 -7.847828 
13.91528 
1 1 1 -21 12  7  o 38.21929 6.290936  297.6238       108.9844 607.3510       
179.5150 116.8290       137.1526 51.59066 8.288017 24.84792 9.466377 26.74275 
12.58187 
1 1 1 -21 12  8  o 102.3037 3.947081  2257.748       163.2348 2395.636       
273.1835 2181.177       203.5732 104.1968 6.244837 100.4105 4.829058 3.786270 
7.894162 
1 1 1 -21 12  9  o 77.87004 4.044461  1330.777       130.6864 1325.300       
200.0907 1334.851       172.5825 77.46727 6.152190 78.27281 5.251783 
-0.8055420     8.088923 
1 1 1 -21 12  10 o 21.42357 6.439876  20.38096       100.4987 89.74583       
159.3324 -25.44841      129.5109 24.37316 9.909405 18.47397 8.227497 5.899189 
12.87975 
1 1 1 -21 12  11 o 42.77913 6.088355  416.0763       101.1745 520.8593       
175.5439 363.9567       123.8058 46.22483 9.372264 39.33344 7.773861 6.891388 
12.17671 
1 1 1 -21 12  12 o 18.81561 6.036285  -51.88707      101.5579 -14.16653      
160.5863 -77.02937      131.1058 20.67591 9.186801 16.95531 7.832603 3.720606 
12.07257 
1 1 1 -21 12  13 f 38.40005 6.213673  361.5066       98.12323 378.5369       
139.1827 344.6781       138.3555 39.40195 8.649220 37.39814 8.923559 2.003803 
12.42735 
1 1 1 -21 12  14 o 72.61424 4.577659  1226.040       134.4671 997.3992       
205.2665 1397.916       177.9712 65.67032 7.445093 79.55817 5.328269 -13.88785 
9.155318 
1 1 1 -21 12  15 o 25.98183 6.909760  150.4451       105.1214 86.72737       
162.9281 195.8862       137.5910 23.79361 9.890415 28.17005 9.651881 -4.376446 
13.81952 
1 1 1 -21 12  16 o 67.46117 4.299596  1001.720       117.6814 1142.564       
197.7690 924.5122       146.4259 70.52510 6.679372 64.39723 5.415913 6.127869 
8.599193 
1 1 1 -21 12  17 o 48.40180 5.757113  599.6219       106.9395 447.3508       
168.7671 701.7778       138.2327 41.16040 9.877427 55.64321 5.917249 -14.48281 
11.51423 
1 1 1 -21 12  18 o 57.38964 4.538383  763.2120       108.1467 636.7801       
151.2952 895.3047       154.6450 52.08726 6.918542 62.69202 5.875497 -10.60477 
9.076766 
1 1 1 -21 12  19 o 61.52123 4.758192  869.2965       111.8547 943.8333       
207.7677 838.8762       132.7317 61.97770 7.984792 61.06476 5.177321 0.9129410 
9.516383 
1 1 1 -21 12  20 o 22.16214 6.319897  85.63011       96.36755 -7.258444      
138.1488 173.6679       134.4933 18.55421 8.371159 25.77006 9.470379 -7.215847 
12.63979 
1 1 1 -21 12  21 o 66.59919 4.338727  1051.539       121.2263 1012.043       
171.6012 1090.887       171.2790 65.18122 6.270741 68.01716 5.998003 -2.835938 
8.677455 
1 1 1 -21 12  22 o 21.29714 6.378088  87.45677       100.7813 149.6417       
144.2597 28.17342       140.8539 23.56127 9.488805 19.03300 8.525409 4.528265 
12.75618 
1 1 1 -21 12  23 o 19.10247 6.001853  19.83188       100.5858 120.0518       
143.4236 -77.17318      141.1045 22.05745 9.231078 16.14748 7.673079 5.909967 
12.00371 
1 1 1 -21 13  1  o 29.26300 7.182130  198.9391       110.2298 137.4521       
168.7753 244.6769       145.5644 26.78009 10.42774 31.74592 9.878972 -4.965830 
14.36426 
1 1 1 -21 13  2  o 73.32993 4.380962  1183.475       132.7529 1212.193       
207.6131 1163.612       172.6634 73.76917 6.703489 72.89067 5.642211 0.8785019 
8.761924 
1 1 1 -21 13  3  o 80.43547 4.725945  1469.829       147.6757 1352.262       
256.7834 1527.928       180.5140 77.03726 7.939390 83.83368 5.128773 -6.796417 
9.451890 
1 1 1 -21 13  4  o 68.36127 4.881422  1095.667       131.8039 748.8876       
196.4818 1379.396       177.7243 57.17876 8.184813 79.54378 5.321837 -22.36502 
9.762843 
1 1 1 -21 13  5  o 55.59605 4.776896  682.6664       108.0427 718.3005       
177.5127 661.6979       136.1700 56.35299 7.502974 54.83910 5.914418 1.513889 
9.553793 
1 1 1 -21 13  6  o 23.24744 6.723547  71.66167       105.6444 21.65678       
160.3979 109.9744       140.3989 21.99751 9.500471 24.49736 9.516583 -2.499851 
13.44709 
1 1 1 -21 13  7  o 38.12381 6.063233  347.8417       94.43704 350.8922       
140.9072 345.3542       127.2438 38.09043 8.952597 38.15719 8.179378 
-0.6676102E-01 12.12647 
1 1 1 -21 13  8  o 19.46225 6.129950  -22.35287      101.0934 -58.37701      
156.5689 3.403678       132.3891 19.29745 8.781179 19.62705 8.555469 
-0.3295956     12.25990 
1 1 1 -21 13  9  o 30.69991 6.964122  212.0337       103.3922 330.3547       
163.2253 132.7458       133.6165 36.16900 10.26904 25.23083 9.409713 10.93817 
13.92824 
1 1 1 -21 13  10 o 76.88560 4.410573  1346.805       133.3169 1225.496       
225.9902 1411.555       165.1066 73.29808 7.343753 80.47314 4.886912 -7.175056 
8.821146 
1 1 1 -21 13  11 o 27.74702 7.108509  174.5867       104.9482 197.8299       
167.3807 159.5295       134.7189 28.99801 10.57391 26.49603 9.503473 2.501980 
14.21702 
1 1 1 -21 13  12 o 44.48721 6.178307  512.3062       109.8230 319.0854       
168.4505 655.1519       144.8368 35.03140 10.57286 53.94302 6.395355 -18.91162 
12.35661 
1 1 1 -21 13  13 o 36.60713 6.664191  313.5090       101.2926 465.8973       
170.5489 230.4604       125.9039 42.84343 9.705093 30.37082 9.135477 12.47261 
13.32838 
1 1 1 -21 13  14 o 29.40940 5.486598  190.0297       92.62188 -69.50665      
136.6855 410.3869       125.9468 17.33370 8.003640 41.48510 7.506848 -24.15140 
10.97320 
1 1 1 -21 13  15 f 43.33755 6.262702  461.8703       109.1031 534.5934       
169.4750 410.3991       142.5777 46.10949 9.077978 40.56561 8.629951 5.543880 
12.52540 
1 1 1 -21 13  16 o 25.36145 6.965900  142.5721       105.5597 159.6393       
160.9316 129.6840       139.8469 26.27662 10.19265 24.44629 9.497627 1.830334 
13.93180 
1 1 1 -21 13  17 o 33.85709 6.633905  315.0969       110.1159 134.9639       
165.7881 457.2963       147.3009 25.13933 10.15240 42.57484 8.541871 -17.43551 
13.26781 
1 1 1 -21 13  18 o 30.43121 7.212861  247.8412       108.4630 319.8648       
166.7892 195.0644       142.7749 33.55292 10.60008 27.30950 9.784667 6.243416 
14.42572 
1 1 1 -21 13  19 o 26.47955 7.027370  185.7082       107.0006 139.8521       
173.5265 213.8404       135.9156 24.92591 10.27187 28.03319 9.592935 -3.107273 
14.05474 
1 1 1 -21 13  20 o 29.69853 6.822730  250.3647       98.27174 295.8187       
142.5283 209.1743       135.6790 32.08218 9.733944 27.31488 9.562891 4.767302 
13.64546 
1 1 1 -21 13  21 o 56.59624 4.856926  795.9890       114.3484 761.5196       
170.0768 824.4239       154.4732 54.78851 7.393954 58.40398 6.299872 -3.615471 
9.713853 
1 1 1 -21 13  22 f 25.63448 6.780499  197.3307       99.47499 156.0737       
138.8085 240.8887       142.6270 23.58696 9.380291 27.68200 9.793406 -4.095037 
13.56100 
1 1 1 -21 14  1  o 85.96982 4.180592  1646.177       141.5854 1608.472       
244.4161 1665.219       173.6970 84.41036 6.896919 87.52928 4.726721 -3.118919 
8.361183 
1 1 1 -21 14  2  o 55.25826 5.175539  702.1245       117.2289 651.7744       
181.9591 737.8534       153.2791 53.01661 8.174911 57.49990 6.349463 -4.483295 
10.35108 
1 1 1 -21 14  3  o 75.29205 4.151672  1258.128       127.2840 1234.405       
205.0502 1272.999       162.3496 74.22115 6.580420 76.36295 5.063951 -2.141800 
8.303345 
1 1 1 -21 14  4  o 29.18231 7.133295  202.6962       106.0746 190.2780       
162.7721 211.8630       139.8483 28.75618 10.43305 29.60844 9.730731 
-0.8522606     14.26659 
1 1 1 -21 14  5  o 38.73196 6.548400  383.8026       111.6858 228.0856       
170.5352 500.7527       147.7905 30.65669 10.72223 46.80723 7.520636 -16.15054 
13.09680 
1 1 1 -21 14  6  o 23.25442 6.764529  76.26380       105.6099 63.82452       
163.4477 85.17934       138.3741 23.40839 9.828249 23.10046 9.297360 0.3079338 
13.52906 
1 1 1 -21 14  7  o 62.23557 4.820628  930.1304       116.3471 650.0574       
182.5423 1121.753       150.9910 52.82000 8.231633 71.65114 5.019367 -18.83113 
9.641256 
1 1 1 -21 14  8  f 74.71652 4.286733  1286.317       125.7436 1099.911       
209.4335 1391.389       157.2383 69.46575 7.181191 79.96729 4.683462 -10.50153 
8.573466 
1 1 1 -21 14  9  o 17.45062 5.698491  -94.97915      101.8799 -219.1319      
159.4068 -9.246819      132.4650 15.86993 7.687420 19.03131 8.413961 -3.161377 
11.39698 
1 1 1 -21 14  10 o 22.90588 6.646873  61.35913       102.7572 146.8008       
160.5567 2.080631       133.7341 26.36164 10.19002 19.45012 8.537398 6.911520 
13.29375 
1 1 1 -21 14  11 o 26.18115 6.957754  139.5528       103.3522 217.7020       
164.0072 88.07713       133.1072 29.62436 10.49967 22.73793 9.132266 6.886427 
13.91551 
1 1 1 -21 14  12 o 30.05717 6.568412  237.4048       98.59725 112.3849       
165.0077 306.8304       122.9629 24.85062 10.09078 35.26371 8.411442 -10.41309 
13.13682 
1 1 1 -21 14  13 o 22.14482 6.513209  17.63001       104.1034 182.3952       
166.6037 -87.90904      133.3394 27.70606 10.46891 16.58358 7.751741 11.12248 
13.02642 
1 1 1 -21 14  14 o 65.17313 4.850575  1023.206       124.6922 811.4751       
198.5508 1161.095       160.2307 58.13401 8.135092 72.21226 5.285131 -14.07824 
9.701151 
1 1 1 -21 14  15 o 44.36346 5.888673  446.8276       104.3638 675.2965       
176.9343 324.9286       129.2404 52.98391 7.954063 35.74301 8.685548 17.24090 
11.77735 
1 1 1 -21 14  16 o 29.99487 6.544752  232.5638       91.83548 292.5154       
135.1038 181.0714       125.2098 33.27850 9.308795 26.71123 9.202252 6.567272 
13.08950 
1 1 1 -21 14  17 o 53.08583 4.603050  660.2024       101.9211 592.2348       
145.8339 725.0981       142.5003 50.03756 6.941981 56.13411 6.046583 -6.096550 
9.206100 
1 1 1 -21 14  18 o 22.26315 6.329999  97.50455       92.54907 49.44312       
132.7249 142.9892       129.1179 20.26708 8.695184 24.25923 9.201594 -3.992151 
12.66000 
1 1 1 -21 14  19 o 32.43221 6.614782  281.0760       95.88477 394.1174       
150.6782 204.1487       124.3002 37.57840 9.532123 27.28602 9.173876 10.29237 
13.22956 
1 1 1 -21 14  20 o 34.55299 6.153962  333.4474       90.84461 261.0362       
128.9528 404.7924       127.9999 30.00877 9.290145 39.09722 8.073302 -9.088451 
12.30792 
1 1 1 -21 14  21 o 19.97284 5.753798  77.54029       79.79059 10.50970       
115.2273 139.2920       110.5970 17.19822 7.707072 22.74745 8.545515 -5.549232 
11.50760 
1 1 1 -21 15  1  o 22.33448 6.672390  53.70600       107.0965 76.81993       
160.1165 34.99367       144.0665 23.49062 9.787107 21.17834 9.071695 2.312284 
13.34478 
1 1 1 -21 15  2  o 72.72562 4.108047  1193.551       120.4910 1109.381       
195.2164 1245.349       153.1420 69.98803 6.643756 75.46321 4.833704 -5.475182 
8.216093 
1 1 1 -21 15  3  o 75.76614 3.946127  1274.496       125.1807 1198.077       
179.5011 1346.850       174.6626 73.37076 5.827269 78.16154 5.322650 -4.790779 
7.892253 
1 1 1 -21 15  4  o 21.91090 6.554199  29.83817       105.0936 121.5725       
161.0745 -38.15872      138.6773 25.33640 10.09566 18.48540 8.361087 6.851006 
13.10840 
1 1 1 -21 15  5  o 41.33014 6.493770  438.2635       114.2447 272.3881       
168.8169 578.4164       155.1765 32.53621 10.69116 50.12407 7.373959 -17.58786 
12.98754 
1 1 1 -21 15  6  o 38.15326 6.922392  363.9415       110.2766 418.2226       
172.0185 326.0684       143.6868 40.32547 10.15842 35.98105 9.406626 4.344414 
13.84478 
1 1 1 -21 15  7  o 21.88921 6.577912  42.07038       104.4464 86.54741       
161.2838 9.945122       137.0712 23.88867 9.879550 19.88974 8.687360 3.998922 
13.15582 
1 1 1 -21 15  8  o 29.51569 6.966700  187.1330       106.7278 349.2005       
168.7112 79.00204       137.8069 36.49251 10.46572 22.53887 9.198277 13.95365 
13.93340 
1 1 1 -21 15  9  o 41.30660 6.041815  468.7708       109.0496 160.7611       
166.8989 698.2200       144.0505 26.93651 10.39407 55.67668 6.162578 -28.74017 
12.08363 
1 1 1 -21 15  10 o 28.57961 7.061449  204.9148       105.6659 154.3226       
168.9957 237.3897       135.3964 26.62103 10.42043 30.53819 9.532625 -3.917160 
14.12290 
1 1 1 -21 15  11 o 25.31559 6.833187  136.8971       97.09670 163.0626       
166.4757 123.4072       119.5340 26.82827 10.37496 23.80292 8.895501 3.025354 
13.66637 
1 1 1 -21 15  12 o 33.88774 6.875639  280.0684       106.4663 442.3088       
168.0974 171.3906       137.5789 41.14895 9.847163 26.62654 9.598491 14.52242 
13.75128 
1 1 1 -21 15  13 o 25.79901 6.671477  160.7457       97.40737 77.82834       
166.4035 203.9683       120.1422 23.26636 9.849530 28.33166 9.001176 -5.065304 
13.34295 
1 1 1 -21 15  14 o 28.95603 7.056406  221.8289       107.6424 149.3418       
167.0286 273.3196       140.7748 25.84427 10.28604 32.06778 9.662758 -6.223513 
14.11281 
1 1 1 -21 15  15 f 20.14245 6.281638  -17.26838      104.7321 111.9624       
165.8022 -103.0660      135.0968 24.17839 10.00924 16.10651 7.592826 8.071877 
12.56328 
1 1 1 -21 15  16 o 25.38584 6.871394  144.1246       98.68157 218.1456       
166.6164 104.1301       122.4731 28.41344 10.52532 22.35824 8.836393 6.055195 
13.74279 
1 1 1 -21 15  17 o 63.24669 4.981644  977.2265       127.7179 856.9500       
198.3819 1062.367       166.9090 58.63469 8.058765 67.85869 5.858619 -9.224003 
9.963288 
1 1 1 -21 15  18 o 21.22057 6.374611  56.77278       106.4112 -69.36657      
165.5944 145.4985       138.8817 18.25484 8.557209 24.18630 9.450758 -5.931469 
12.74922 
1 1 1 -21 15  19 o 40.69913 7.116680  427.9088       112.1533 681.8981       
213.9102 331.6205       131.7075 47.06402 11.01051 34.33426 9.019828 12.72976 
14.23336 
1 1 1 -21 15  20 o 19.87912 6.078553  61.86380       94.25204 99.52241       
131.6039 22.20848       135.0478 21.20376 8.856120 18.55449 8.328527 2.649275 
12.15711 
1 1 1 -21 15  21 o 27.44176 8.036302  272.6910       152.0499 243.3562       
241.0239 292.0828       195.9646 26.39677 11.52472 28.48675 11.20310 -2.089981 
16.07260 
1 1 1 -21 16  1  o 34.13091 7.151734  304.5233       108.8599 325.5458       
167.2575 289.0732       143.3868 34.87807 10.53711 33.38375 9.672565 1.494320 
14.30347 
1 1 1 -21 16  2  o 78.29916 4.096521  1369.742       133.6654 1417.128       
202.8956 1333.407       177.6691 79.21868 6.100508 77.37964 5.468980 1.839043 
8.193042 
1 1 1 -21 16  3  o 36.98008 6.253397  362.1005       109.3386 135.0955       
164.8361 540.4542       146.1086 25.68692 10.21991 48.27324 7.209254 -22.58632 
12.50679 
1 1 1 -21 16  4  o 22.80061 6.600635  42.61826       106.1457 186.4052       
162.7556 -63.80565      140.0218 27.90061 10.38920 17.70060 8.144815 10.20001 
13.20127 
1 1 1 -21 16  5  o 56.86081 5.583785  791.5157       122.8550 662.7084       
194.9853 876.3166       158.2091 51.36351 9.391250 62.35812 6.043097 -10.99461 
11.16757 
1 1 1 -21 16  6  o 20.60355 6.222077  27.71628       99.55529 -82.93604      
162.1614 94.64946       126.1211 18.60872 8.640131 22.59837 8.955729 -3.989656 
12.44415 
1 1 1 -21 16  7  o 58.87315 4.743577  740.0491       113.0444 1038.648       
193.0755 584.2967       139.4443 67.18148 6.845399 50.56482 6.568609 16.61666 
9.487155 
1 1 1 -21 16  8  o 33.60223 6.819133  287.3877       98.09977 315.9940       
165.7945 271.9773       121.6874 34.33010 10.51500 32.87436 8.685452 1.455742 
13.63827 
1 1 1 -21 16  9  o 23.75827 5.893647  112.3878       86.29903 -44.29441      
134.6514 221.6120       112.4244 17.80563 8.113318 29.71091 8.550694 -11.90528 
11.78729 
1 1 1 -21 16  10 o 59.51694 4.337790  813.3647       106.6236 667.0350       
152.3900 953.7010       149.2365 53.73071 6.755459 65.30317 5.443294 -11.57246 
8.675579 
1 1 1 -21 16  11 o 40.11723 6.574728  394.5761       108.4533 568.2322       
174.1178 284.4940       138.6298 47.31448 9.089679 32.91998 9.501889 14.39450 
13.14946 
1 1 1 -21 16  12 o 22.16078 6.482545  40.66629       96.69971 185.9480       
166.8492 -32.81476      118.6606 27.38919 10.43914 16.93237 7.688813 10.45681 
12.96509 
1 1 1 -21 16  13 o 53.02499 5.351556  660.4021       116.2534 739.7410       
189.4824 612.5095       147.2177 54.93733 8.215280 51.11265 6.860450 3.824684 
10.70311 
1 1 1 -21 16  14 o 17.86139 5.762380  -36.62873      96.62873 -144.0354      
165.3883 19.03614       119.0638 17.11557 8.186128 18.60721 8.112177 -1.491636 
11.52476 
1 1 1 -21 16  15 o 47.85474 6.192768  571.9738       118.3476 653.4734       
194.4232 523.9999       149.1667 49.36219 9.728002 46.34729 7.665996 3.014904 
12.38554 
1 1 1 -21 16  16 o 29.37955 7.461259  243.8677       114.8917 274.7584       
186.3197 224.9152       145.9410 30.34509 11.14719 28.41402 9.920776 1.931067 
14.92252 
1 1 1 -21 16  17 o 38.77383 6.887640  424.6382       111.2263 431.0366       
170.7863 419.9255       146.5714 38.28584 10.36954 39.26183 9.068131 
-0.9759903     13.77528 
1 1 1 -21 16  18 o 17.67595 5.794588  -58.70400      108.1378 -215.7631      
173.8161 40.47483       138.1236 15.78792 7.737320 19.56398 8.628027 -3.776059 
11.58918 
1 1 1 -21 16  19 o 21.21732 6.305574  72.25800       108.0114 -114.4248      
175.1670 186.7830       137.1988 17.23395 8.286352 25.20069 9.506705 -7.966740 
12.61115 
1 1 1 -21 16  20 o 27.28790 11.11783  261.8287       200.9879 0.000000       
0.000000 261.8287       200.9879 ?        ?        27.28790 11.11783 ? ? 
1 1 1 -21 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 17  2  o 34.65473 7.295381  324.9766       134.3302 90.30394       
197.4113 527.3302       183.3143 24.68261 10.59752 44.62684 10.02910 -19.94423 
14.59076 
1 1 1 -21 17  3  o 59.94171 5.045984  848.2356       123.2671 807.7273       
195.3245 875.0474       158.9085 57.90662 8.034328 61.97681 6.107157 -4.070187 
10.09197 
1 1 1 -21 17  4  o 56.50059 5.089250  696.9448       116.3453 1019.897       
195.1315 518.8051       144.9233 66.08905 7.032648 46.91213 7.358242 19.17692 
10.17850 
1 1 1 -21 17  5  o 27.03117 7.113892  177.1151       107.1116 194.7458       
162.9730 163.7080       142.1171 27.90751 10.39527 26.15482 9.714329 1.752693 
14.22778 
1 1 1 -21 17  6  o 49.65086 5.463078  590.3785       105.9208 378.0550       
143.3437 845.7444       157.2030 38.40355 9.031907 60.89818 6.148621 -22.49464 
10.92616 
1 1 1 -21 17  7  o 45.26757 6.107732  512.4842       112.4014 483.6978       
169.2440 535.2013       150.3476 43.06414 9.607750 47.47099 7.543785 -4.406845 
12.21546 
1 1 1 -21 17  8  o 36.54467 6.988223  350.4738       108.2110 398.7422       
171.0149 318.2436       139.7443 38.24012 10.38512 34.84921 9.353622 3.390907 
13.97645 
1 1 1 -21 17  9  o 23.46393 6.582151  52.54667       104.6337 244.1631       
165.8849 -74.06210      134.8411 30.06758 10.56939 16.86028 7.847723 13.20730 
13.16430 
1 1 1 -21 17  10 o 23.95277 6.717435  89.18685       104.1275 224.1069       
164.1851 -1.594696      134.6773 29.01326 10.48297 18.89228 8.402568 10.12098 
13.43487 
1 1 1 -21 17  11 o 36.52273 6.221102  376.6924       110.1207 125.6903       
172.3581 549.8249       143.1470 24.83685 10.23655 48.20861 7.072591 -23.37176 
12.44220 
1 1 1 -21 17  12 o 51.66537 4.956464  630.8292       107.2097 657.9097       
158.7171 608.1046       145.3924 52.52102 7.197998 50.80972 6.815788 1.711304 
9.912928 
1 1 1 -21 17  13 o 34.11318 6.948835  313.5170       101.0696 350.6396       
174.3334 294.7228       124.0430 34.72672 10.81215 33.49964 8.731706 1.227085 
13.89767 
1 1 1 -21 17  14 o 50.76003 5.915294  666.2347       118.7220 575.7834       
182.3503 732.7859       156.4146 45.95800 9.746866 55.56206 6.705328 -9.604053 
11.83059 
1 1 1 -21 17  15 o 25.79456 6.990649  156.7518       108.6333 272.4991       
167.9299 73.45798       142.4554 30.24929 10.63424 21.33983 9.076879 8.909458 
13.98130 
1 1 1 -21 17  16 o 32.39420 6.889831  317.0956       106.3814 227.5127       
167.4250 377.7516       137.7666 27.70017 10.48645 37.08822 8.939436 -9.388056 
13.77966 
1 1 1 -21 17  17 o 28.49224 7.006822  221.4384       110.7013 398.7716       
170.1249 91.21172       145.7883 35.51458 10.60651 21.46991 9.158823 14.04466 
14.01364 
1 1 1 -21 17  18 o 20.47177 6.024706  70.85062       94.52147 -55.52153      
145.6123 162.8777       124.2597 16.93937 7.955603 24.00417 9.049680 -7.064795 
12.04941 
1 1 1 -21 17  19 o 43.04126 9.397915  543.7427       165.1308 0.000000       
0.000000 543.7427       165.1308 ?        ?        43.04126 9.397915 ? ? 
1 1 1 -21 18  1  o 18.84282 6.246686  -85.22496      124.5179 -91.79015      
184.1302 -79.69259      169.0275 19.10448 8.967690 18.58115 8.698556 0.5233345 
12.49337 
1 1 1 -21 18  2  o 30.46702 7.763586  253.0270       131.1947 357.6880       
190.7207 159.0182       180.7547 34.80186 11.36360 26.13218 10.58120 8.669682 
15.52717 
1 1 1 -21 18  3  o 22.07320 7.135448  -13.71239      145.4438 -47.79287      
189.5977 35.02119       226.7224 20.39731 9.421319 23.74910 10.71901 -3.351784 
14.27090 
1 1 1 -21 18  4  o 25.64158 6.476276  65.96069       108.9177 354.8798       
167.9428 -143.7769      143.0907 35.53484 10.52320 15.74833 7.551883 19.78651 
12.95255 
1 1 1 -21 18  5  o 40.86185 6.902101  449.3409       116.7358 432.0703       
170.2783 464.6556       160.3475 39.68180 10.17344 42.04190 9.330438 -2.360092 
13.80420 
1 1 1 -21 18  6  o 26.30719 6.848060  165.8620       107.8619 49.67100       
162.1078 258.1671       144.4877 21.80446 9.485718 30.80992 9.879518 -9.005459 
13.69612 
1 1 1 -21 18  7  o 24.40528 6.902263  129.0920       108.5194 85.17949       
165.0606 162.5233       144.0210 23.08026 9.792177 25.73031 9.730271 -2.650045 
13.80453 
1 1 1 -21 18  8  o 37.85506 6.645638  362.1377       103.0308 487.2734       
170.3400 289.9458       129.3810 42.60031 9.733032 33.10982 9.051303 9.490490 
13.29128 
1 1 1 -21 18  9  o 31.21155 7.242055  267.1213       107.8579 304.0348       
170.6842 242.5823       139.1646 32.54087 10.75013 29.88222 9.706917 2.658651 
14.48411 
1 1 1 -21 18  10 o 24.14842 6.793762  103.0459       105.6460 231.5556       
166.6467 16.69404       136.6044 28.90312 10.54959 19.39372 8.563122 9.509394 
13.58752 
1 1 1 -21 18  11 o 16.18153 5.483438  -142.7786      104.3263 -92.76225      
164.2268 -176.6192      135.0851 17.90491 8.420367 14.45815 7.026362 3.446758 
10.96688 
1 1 1 -21 18  12 o 66.54252 4.772481  1044.322       129.0524 1102.868       
211.8720 1009.788       162.7212 67.03766 7.527935 66.04738 5.868263 0.9902802 
9.544963 
1 1 1 -21 18  13 o 38.29033 6.756713  428.0740       111.7769 307.8261       
173.0512 514.1576       146.4185 31.82999 10.82441 44.75066 8.089799 -12.92067 
13.51343 
1 1 1 -21 18  14 o 20.64399 6.400559  30.75801       106.1295 133.0904       
166.4026 -39.41077      137.7925 23.91297 9.971136 17.37500 8.027770 6.537977 
12.80112 
1 1 1 -21 18  15 o 39.43766 7.026450  450.6670       115.1407 522.2406       
179.3436 400.4796       150.1780 41.72278 10.28947 37.15254 9.571354 4.570236 
14.05290 
1 1 1 -21 18  16 o 17.25247 5.623461  -93.44785      107.0430 -340.4792      
165.6391 83.70311       140.2680 13.63097 6.815487 20.87396 8.946640 -7.242986 
11.24692 
1 1 1 -21 18  17 o 17.49564 5.685246  -30.97525      101.3560 -177.5203      
164.8569 58.08044       128.5146 15.59421 7.616841 19.39708 8.442264 -3.802862 
11.37049 
1 1 1 -21 19  1  o 46.24557 6.865894  557.7397       131.3590 852.9914       
211.5872 372.5745       167.5610 57.07086 8.830717 35.42027 10.51572 21.65059 
13.73179 
1 1 1 -21 19  2  o 23.54835 7.081151  99.70168       120.0559 165.6447       
190.9621 56.60281       154.3816 25.86431 10.72662 21.23240 9.247180 4.631914 
14.16230 
1 1 1 -21 19  3  o 26.74138 7.336047  184.1625       112.1974 231.0047       
196.1691 161.3904       136.7771 28.37369 11.19295 25.10907 9.486209 3.264618 
14.67209 
1 1 1 -21 19  4  o 40.61254 11.51098  504.7838       205.2635 0.000000       
0.000000 504.7838       205.2635 ?        ?        40.61254 11.51098 ? ? 
1 1 1 -21 19  5  o 23.45758 7.088635  99.99599       121.6125 99.44734       
196.1958 100.3383       154.9761 24.01343 10.44092 22.90172 9.590737 1.111712 
14.17727 
1 1 1 -21 19  6  o 44.52996 6.400913  530.0625       116.6278 459.4626       
173.3254 588.4764       157.6587 40.23412 10.23394 48.82581 7.691117 -8.591698 
12.80183 
1 1 1 -21 19  7  o 20.94651 6.470613  42.35363       110.1315 -20.51377      
166.5556 91.19581       146.8060 19.61499 8.965734 22.27802 9.332252 -2.663031 
12.94123 
1 1 1 -21 19  8  o 23.71533 6.634560  118.2866       107.4460 -11.47700      
166.1816 211.4986       140.8453 19.78431 9.014492 27.64635 9.736965 -7.862041 
13.26912 
1 1 1 -21 19  9  o 38.73981 6.953156  412.5635       111.9036 492.2834       
176.7763 359.2576       144.5535 41.50464 10.20320 35.97498 9.448825 5.529663 
13.90631 
1 1 1 -21 19  10 o 29.06318 6.719285  232.0573       101.0664 340.9687       
144.5004 127.7563       141.4088 34.72733 9.597515 23.39903 9.406531 11.32830 
13.43857 
1 1 1 -21 19  11 o 24.91264 6.995173  154.2081       107.6315 215.6772       
171.1898 114.0256       138.4101 27.22513 10.52240 22.60016 9.220024 4.624966 
13.99035 
1 1 1 -21 19  12 o 24.98407 6.846462  127.6100       109.3447 313.4590       
172.2355 2.132250       141.5226 31.38184 10.79464 18.58629 8.424480 12.79556 
13.69292 
1 1 1 -21 19  13 o 55.25554 4.770037  756.4739       108.8200 711.5502       
165.0535 791.0158       144.7307 52.92764 7.427854 57.58344 5.986652 -4.655800 
9.540074 
1 1 1 -21 19  14 o 44.45238 6.645013  570.9794       118.7001 561.2507       
184.8226 577.8094       154.8588 42.65997 10.39930 46.24480 8.275227 -3.584835 
13.29003 
1 1 1 -21 19  15 o 17.87900 5.808539  -55.00589      109.7812 -260.8343      
170.8425 89.76127       143.2776 14.76007 7.318034 20.99793 9.022355 -6.237865 
11.61708 
1 1 1 -21 19  16 o 15.14776 7.320986  -127.7200      141.5189 0.000000       
0.000000 -127.7200      141.5189 ?        ?        15.14776 7.320986 ? ? 
1 1 1 -21 20  1  o 20.31518 6.525854  26.50702       120.1673 82.91637       
185.0126 -14.65438      158.0413 22.02638 9.820941 18.60398 8.596289 3.422398 
13.05171 
1 1 1 -21 20  2  o 38.07863 7.351087  454.5807       119.2498 440.2928       
203.4867 462.0544       147.1698 35.42328 11.73775 40.73398 8.853195 -5.310699 
14.70217 
1 1 1 -21 20  3  o 29.26429 7.758235  204.3576       123.3330 517.4634       
233.4355 83.11218       145.2627 37.33676 12.57188 21.19182 9.094426 16.14494 
15.51647 
1 1 1 -21 20  4  f 44.27189 6.990193  507.2924       120.9916 817.2897       
219.1326 371.3419       145.1170 52.77495 10.25611 35.76883 9.500704 17.00612 
13.98039 
1 1 1 -21 20  5  o 18.83505 6.175353  -35.86081      114.2835 41.57371       
178.1492 -90.01212      148.9776 21.04369 9.499601 16.62641 7.892878 4.417282 
12.35071 
1 1 1 -21 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -21 20  7  o 20.34764 6.490294  30.98349       117.5617 20.78244       
177.4158 38.96883       156.9700 20.47269 9.324405 20.22258 9.030566 0.2501163 
12.98059 
1 1 1 -21 20  8  o 17.87980 5.882721  -85.64656      104.9128 86.49945       
169.3283 -192.9048      133.6584 22.00001 9.631930 13.75959 6.756594 8.240413 
11.76544 
1 1 1 -21 20  9  o 27.86159 7.110443  240.8734       108.8582 192.1616       
167.9533 276.1609       142.9492 25.60447 10.26873 30.11871 9.838023 -4.514242 
14.22089 
1 1 1 -21 20  10 o 20.80236 6.413385  66.26475       108.7177 -14.18161      
168.3562 123.8067       142.3863 19.07294 8.835649 22.53179 9.298245 -3.458853 
12.82677 
1 1 1 -21 20  11 o 20.90878 6.283892  82.46040       95.76950 134.5455       
146.1235 43.24019       126.7998 22.89723 9.429253 18.92033 8.308933 3.976898 
12.56778 
1 1 1 -21 20  12 f 36.51969 7.370428  417.9089       116.9154 485.6241       
184.6023 372.5553       151.0775 38.33738 10.93238 34.70201 9.888170 3.635372 
14.74086 
1 1 1 -21 20  13 o 45.95981 6.389015  632.0082       112.8669 493.8594       
190.1284 707.1845       140.2536 38.13462 11.16689 53.78500 6.211177 -15.65037 
12.77803 
1 1 1 -21 21  3  o 20.42234 6.505644  29.88167       112.9394 158.3489       
188.6205 -41.91798      141.0113 23.90234 10.31253 16.94234 7.933804 6.959995 
13.01129 
1 1 1 -21 21  4  o 35.65172 7.550108  398.7718       117.2013 513.0800       
200.3684 339.3219       144.4994 38.22239 11.53013 33.08105 9.750518 5.141342 
15.10022 
1 1 1 -21 21  5  o 24.62497 6.930245  138.2171       115.9401 331.2121       
178.4994 -2.622582      152.4847 30.78224 10.94934 18.46769 8.498534 12.31454 
13.86049 
1 1 1 -21 21  6  o 19.31890 6.290920  3.103779       118.5471 57.06244       
172.7264 -44.94791      162.9981 20.72928 9.355989 17.90852 8.412382 2.820759 
12.58184 
1 1 1 -21 21  7  o 26.20726 7.302619  218.9352       118.6922 260.3133       
173.7777 182.7529       162.5013 27.74018 10.63014 24.67434 10.01564 3.065840 
14.60524 
1 1 1 -21 21  8  o 24.37519 10.31078  173.7300       182.1174 173.7300       
182.1174 0.000000       0.000000 24.37519 10.31078 ?        ?        ? ? 
1 1 1 -21 21  9  o 28.67042 6.983453  231.3202       105.8680 418.0413       
171.7617 116.9235       134.4424 35.54515 10.66589 21.79569 9.017385 13.74946 
13.96691 
1 1 1 -20 -31 1  o 17.29417 4.850917  -1.062269      57.27071 -79.48221      
70.72870 148.2529       97.59652 11.06157 5.305628 23.52678 8.122555 -12.46520 
9.701834 
1 1 1 -20 -31 2  o 20.02325 4.296888  89.99863       53.23613 184.0426       
67.62418 -63.27172      86.33076 27.16548 6.081913 12.88103 6.071516 14.28445 
8.593776 
1 1 1 -20 -30 1  o 12.97923 4.301025  -60.93642      58.83114 -28.13316      
73.08896 -121.2990      99.14644 13.18276 5.998976 12.77571 6.165026 0.4070549 
8.602050 
1 1 1 -20 -30 2  o 20.54388 4.996000  56.17056       56.30591 -14.98911      
68.25562 207.7361       99.61431 13.16591 5.915102 27.92186 8.053052 -14.75595 
9.992001 
1 1 1 -20 -30 3  o 17.81836 4.687554  66.74493       51.58445 108.5812       
65.12310 -3.710822      84.51170 20.78633 6.629373 14.85039 6.629034 5.935945 
9.375109 
1 1 1 -20 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -29 1  o 24.60860 5.201627  121.7070       63.19134 38.51471       
80.12100 258.6269       102.7869 17.04535 6.994498 32.17186 7.700953 -15.12650 
10.40325 
1 1 1 -20 -29 2  o 13.48573 4.426799  -50.08552      59.49110 -17.98928      
72.87968 -114.1816      102.9900 13.63271 6.118803 13.33876 6.398941 0.2939548 
8.853598 
1 1 1 -20 -29 3  o 32.04955 4.552539  258.3668       58.08226 296.7026       
74.62374 199.4515       92.50983 36.26120 4.901804 27.83789 7.672990 8.423309 
9.105079 
1 1 1 -20 -29 4  o 28.09130 4.975059  207.5235       59.35800 242.2335       
78.31640 160.6682       90.99227 31.53064 6.135108 24.65197 7.833599 6.878674 
9.950117 
1 1 1 -20 -29 5  o 18.75893 8.237842  41.81795       124.6327 0.000000       
0.000000 41.81795       124.6327 ?        ?        18.75893 8.237842 ? ? 
1 1 1 -20 -28 1  o 29.38011 6.275046  219.4980       84.83276 181.8970       
119.5151 257.6791       120.4335 26.96881 8.995561 31.79140 8.751269 -4.822582 
12.55009 
1 1 1 -20 -28 2  o 26.19153 5.851123  156.5815       82.50780 281.1105       
117.0238 33.49017       116.3464 33.26326 8.378264 19.11980 8.169900 14.14345 
11.70225 
1 1 1 -20 -28 3  o 44.09780 5.089368  480.8157       88.34853 594.9510       
121.3430 352.0508       128.8853 51.13108 5.652632 37.06452 8.464894 14.06656 
10.17874 
1 1 1 -20 -28 4  o 33.93668 5.074911  287.8962       74.77095 134.3683       
103.4589 455.7663       108.1835 23.39109 8.334350 44.48228 5.792884 -21.09120 
10.14982 
1 1 1 -20 -28 5  o 22.71534 5.957297  128.0396       76.50607 96.77303       
120.6959 149.0405       98.91714 21.43126 8.659313 23.99942 8.183756 -2.568157 
11.91459 
1 1 1 -20 -28 6  o 18.84896 5.275214  68.43961       63.48454 28.76517       
87.60732 112.3107       92.12431 16.48529 7.068240 21.21264 7.832720 -4.727341 
10.55043 
1 1 1 -20 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -27 1  o 21.92013 5.827390  33.85530       89.11165 -140.1608      
125.5867 210.3100       126.4636 14.84175 7.106939 28.99851 9.237170 -14.15676 
11.65478 
1 1 1 -20 -27 2  o 42.85020 4.902863  430.5140       85.52929 411.4557       
126.5803 446.5254       116.0216 41.37576 7.568415 44.32463 6.234688 -2.948875 
9.805725 
1 1 1 -20 -27 3  o 32.15297 5.898446  260.5312       80.67964 231.3945       
113.2991 290.5045       114.9145 30.18790 8.550679 34.11803 8.127273 -3.930138 
11.79689 
1 1 1 -20 -27 4  o 20.80020 5.721512  84.69347       71.45718 99.74881       
107.5652 72.80100       95.60093 21.76923 8.357141 19.83117 7.816713 1.938066 
11.44302 
1 1 1 -20 -27 5  o 19.01183 5.586916  38.25137       72.79008 102.0398       
116.9295 -2.108290      93.00942 22.01896 8.655667 16.00470 7.066396 6.014259 
11.17383 
1 1 1 -20 -27 6  o 35.04397 4.861210  302.6488       68.76253 292.5979       
101.5245 311.1672       93.46453 34.17649 7.290781 35.91145 6.431947 -1.734955 
9.722420 
1 1 1 -20 -27 7  o 17.37943 5.073646  30.18985       65.31789 -48.51451      
95.31619 99.87315       89.68744 14.21382 6.609015 20.54504 7.699901 -6.331224 
10.14729 
1 1 1 -20 -27 8  o 32.91795 5.321404  291.2712       71.91646 259.9846       
107.8064 316.3577       96.53497 30.54250 8.223575 35.29340 6.755899 -4.750902 
10.64281 
1 1 1 -20 -26 1  o 28.51043 6.946578  197.6132       101.2605 223.3565       
127.1666 153.0070       167.3934 30.10375 9.206609 26.91710 10.40472 3.186646 
13.89316 
1 1 1 -20 -26 2  o 55.34599 4.130265  690.3740       94.83707 770.5415       
130.6560 601.1032       137.8747 59.08419 5.267192 51.60780 6.363415 7.476387 
8.260530 
1 1 1 -20 -26 3  o 31.30845 5.831850  246.9546       77.97220 207.8294       
121.8019 274.1207       101.4939 28.81653 9.050654 33.80037 7.357142 -4.983843 
11.66370 
1 1 1 -20 -26 4  o 25.18340 5.768741  153.7258       73.88263 82.89394       
111.8423 208.5686       98.41289 21.29871 8.435794 29.06809 7.870888 -7.769375 
11.53748 
1 1 1 -20 -26 5  o 26.65273 5.148275  178.7216       68.23092 51.17950       
103.9025 275.4221       90.47185 19.22440 7.938852 34.08105 6.556950 -14.85666 
10.29655 
1 1 1 -20 -26 6  o 44.04678 5.692098  486.6116       100.6506 443.7766       
154.5108 518.1870       132.6580 41.11900 9.184420 46.97455 6.726541 -5.855545 
11.38420 
1 1 1 -20 -26 7  o 43.64743 4.101629  445.4845       73.18227 402.8725       
113.2030 476.0793       95.92139 41.30585 6.527811 45.98901 4.968010 -4.683159 
8.203259 
1 1 1 -20 -26 8  o 32.22522 5.593123  270.9051       75.16122 305.8011       
110.5651 240.9246       102.4825 34.25436 7.851954 30.19608 7.967365 4.058283 
11.18625 
1 1 1 -20 -26 9  o 30.45485 5.523943  243.2714       72.80462 346.9703       
111.1538 165.3572       96.34860 36.34124 7.537971 24.56845 8.076805 11.77279 
11.04789 
1 1 1 -20 -25 1  o 35.72157 11.49930  327.4939       195.6109 0.000000       
0.000000 327.4939       195.6109 ?        ?        35.72157 11.49930 ? ? 
1 1 1 -20 -25 2  o 50.31596 5.455328  572.4550       113.0865 635.4088       
181.2547 532.3303       144.7051 52.21408 8.268422 48.41784 7.118682 3.796242 
10.91066 
1 1 1 -20 -25 3  o 41.78938 5.029812  403.8212       84.72475 403.0991       
131.7966 404.3297       110.6072 41.10560 7.919654 42.47316 6.202832 -1.367558 
10.05962 
1 1 1 -20 -25 4  o 31.04219 5.871187  238.6422       79.09798 192.2746       
113.8388 281.9225       109.9837 27.96650 8.743059 34.11789 7.838512 -6.151388 
11.74237 
1 1 1 -20 -25 5  o 17.02607 5.175469  -16.81877      73.64416 -131.2653      
111.0211 73.10824       98.41228 13.82837 6.636225 20.22377 7.943705 -6.395395 
10.35094 
1 1 1 -20 -25 6  o 18.25333 5.572264  11.46633       76.51611 58.09337       
122.8688 -18.07132      97.79368 20.58067 8.574017 15.92598 7.119463 4.654696 
11.14453 
1 1 1 -20 -25 7  o 39.57869 5.092744  352.2869       80.67014 531.4410       
132.5662 246.9315       101.6594 47.73139 6.615304 31.42600 7.744801 16.30540 
10.18549 
1 1 1 -20 -25 8  o 28.25679 5.313622  192.9180       72.02012 329.4329       
105.5644 74.05047       98.50525 36.67289 7.110130 19.84069 7.898378 16.83219 
10.62724 
1 1 1 -20 -25 9  o 24.07237 5.893835  146.2964       75.84003 203.0855       
106.2580 87.32708       108.2786 27.52968 8.415032 20.61505 8.254477 6.914631 
11.78767 
1 1 1 -20 -25 10 o 15.84599 5.064301  -12.65166      72.90732 -55.33926      
109.3064 21.55991       97.85457 14.92394 6.988004 16.76805 7.331873 -1.844110 
10.12860 
1 1 1 -20 -25 11 o 15.87319 5.056237  -1.607499      70.97478 4.708160       
102.1214 -7.508537      98.71239 16.19391 7.256314 15.55247 7.043298 0.6414433 
10.11247 
1 1 1 -20 -24 1  o 23.06705 6.377414  55.01221       89.39743 178.9977       
152.4370 -9.984250      110.3697 28.41471 10.11734 17.71940 7.766922 10.69531 
12.75483 
1 1 1 -20 -24 2  o 80.50715 8.343904  1492.237       282.0218 0.000000       
0.000000 1492.237       282.0218 ?        ?        80.50715 8.343904 ? ? 
1 1 1 -20 -24 3  o 21.44832 9.072430  39.99717       140.9921 39.99717       
140.9921 0.000000       0.000000 21.44832 9.072430 ?        ?        ? ? 
1 1 1 -20 -24 4  o 54.53429 4.506875  662.4049       102.7208 621.2012       
137.5394 714.3757       154.4682 52.71553 6.214548 56.35304 6.528941 -3.637512 
9.013749 
1 1 1 -20 -24 5  o 29.45919 6.346618  213.8817       85.47548 196.3342       
117.6238 233.5167       124.4238 28.29344 8.895604 30.62495 9.054639 -2.331512 
12.69324 
1 1 1 -20 -24 6  o 19.98575 5.456984  57.18483       71.36513 -30.30009      
105.3362 131.4108       97.02621 16.19861 7.308976 23.77289 8.105157 -7.574280 
10.91397 
1 1 1 -20 -24 7  o 25.38279 5.845044  162.3312       83.94765 -25.68539      
155.3434 239.8871       99.77046 19.51129 8.835904 31.25429 7.654079 -11.74300 
11.69009 
1 1 1 -20 -24 8  o 20.62049 5.655640  81.65131       71.79781 41.06318       
107.9737 113.8235       96.13000 18.93825 7.971480 22.30275 8.024995 -3.364500 
11.31128 
1 1 1 -20 -24 9  o 17.00514 5.245206  7.364528       70.68756 35.88205       
104.7459 -16.48403      95.78823 18.36263 7.796111 15.64764 7.019217 2.714992 
10.49041 
1 1 1 -20 -24 10 o 18.69799 5.559949  31.18638       77.70823 106.1778       
112.1963 -37.95565      107.7317 21.75644 8.495820 15.63954 7.174482 6.116900 
11.11990 
1 1 1 -20 -24 11 o 21.01382 5.827433  102.8542       76.44555 66.53864       
114.8995 131.6971       102.3980 19.50754 8.217708 22.52010 8.264695 -3.012562 
11.65487 
1 1 1 -20 -24 12 o 32.58024 5.757123  295.4878       78.65880 277.2560       
114.4637 311.8014       108.2748 31.17843 8.509194 33.98204 7.757029 -2.803616 
11.51425 
1 1 1 -20 -23 1  o 37.37592 7.356914  332.7021       120.8649 260.2275       
163.4160 420.2263       179.5832 33.10348 10.49584 41.64835 10.31184 -8.544872 
14.71383 
1 1 1 -20 -23 2  o 25.90063 6.734713  136.0410       94.75880 137.1794       
152.2738 135.3217       121.0534 26.47036 10.00663 25.33089 9.016253 1.139463 
13.46943 
1 1 1 -20 -23 3  o 29.79084 6.296979  151.7380       103.8305 404.7067       
157.9967 -40.55940      137.7531 40.92179 9.390328 18.65990 8.392230 22.26189 
12.59396 
1 1 1 -20 -23 4  o 60.76185 7.619256  840.6921       194.3670 0.000000       
0.000000 840.6921       194.3670 ?        ?        60.76185 7.619256 ? ? 
1 1 1 -20 -23 5  o 64.29101 5.773980  914.4006       155.8491 914.4006       
155.8491 0.000000       0.000000 64.29101 5.773980 ?        ?        ? ? 
1 1 1 -20 -23 6  o 20.25981 6.152667  23.11275       92.78539 2.434467       
120.9467 52.68953       144.6479 18.63258 8.149138 21.88704 9.220237 -3.254465 
12.30533 
1 1 1 -20 -23 7  o 23.43945 6.248077  97.05551       88.98827 191.6366       
130.2364 14.22774       121.8760 27.87855 9.390379 19.00036 8.244676 8.878189 
12.49615 
1 1 1 -20 -23 8  o 30.06662 6.128657  209.5788       92.15242 379.0666       
136.9187 69.22289       124.5974 38.89238 8.613798 21.24086 8.720335 17.65152 
12.25731 
1 1 1 -20 -23 9  o 46.37918 4.996815  528.8140       89.95592 409.7188       
137.8190 617.2130       118.7368 40.35388 8.411121 52.40449 5.396822 -12.05061 
9.993630 
1 1 1 -20 -23 10 o 23.37062 5.862776  111.3763       78.12801 217.5178       
116.6735 25.09180       105.1952 28.78244 8.821877 17.95879 7.724186 10.82365 
11.72555 
1 1 1 -20 -23 11 o 31.26814 5.142955  249.1949       85.06492 13.02603       
123.8187 460.3034       117.0651 18.35454 8.122179 44.18173 6.311112 -25.82718 
10.28591 
1 1 1 -20 -23 12 o 27.71044 6.302120  214.5208       84.44857 273.8406       
125.0717 164.8177       114.4858 30.91104 9.058828 24.50983 8.763817 6.401203 
12.60424 
1 1 1 -20 -23 13 o 23.63788 6.050996  147.8885       83.69494 58.17769       
119.1960 235.1332       117.5462 19.03669 8.205398 28.23907 8.895487 -9.202379 
12.10199 
1 1 1 -20 -22 1  o 88.13265 4.986531  1698.727       183.0949 1752.688       
278.2170 1657.503       243.1766 89.14996 7.433334 87.11535 6.648874 2.034607 
9.973063 
1 1 1 -20 -22 2  o 87.33522 4.396535  1644.991       154.7552 1732.198       
260.3430 1597.340       192.4461 88.66814 6.993576 86.00230 5.329914 2.665840 
8.793070 
1 1 1 -20 -22 3  o 50.06836 5.404099  510.9036       105.3630 819.3672       
184.0636 360.5673       128.4985 60.71089 7.221416 39.42583 8.041661 21.28506 
10.80820 
1 1 1 -20 -22 4  o 48.27840 5.006739  505.2077       98.19953 580.0418       
164.7591 463.9770       122.2953 50.69142 7.741693 45.86538 6.351057 4.826046 
10.01348 
1 1 1 -20 -22 5  o 35.12994 5.897116  285.6934       85.28188 231.9911       
111.1498 362.5592       132.9778 31.18970 8.328636 39.07019 8.350911 -7.880491 
11.79423 
1 1 1 -20 -22 6  o 36.56525 9.550506  332.0781       148.2029 0.000000       
0.000000 332.0781       148.2029 ?        ?        36.56525 9.550506 ? ? 
1 1 1 -20 -22 7  o 33.83547 11.27590  299.2536       187.7883 0.000000       
0.000000 299.2536       187.7883 ?        ?        33.83547 11.27590 ? ? 
1 1 1 -20 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -22 9  o 25.03801 9.203424  144.7349       127.0240 144.7349       
127.0240 0.000000       0.000000 25.03801 9.203424 ?        ?        ? ? 
1 1 1 -20 -22 10 o 30.74789 6.861344  233.5083       109.0536 94.86318       
148.7973 394.4049       160.2937 23.10805 9.515440 38.38773 9.887800 -15.27968 
13.72269 
1 1 1 -20 -22 11 o 40.73921 6.403560  440.3469       109.3881 342.3547       
160.5960 525.1588       149.4058 34.95979 10.27131 46.51863 7.650004 -11.55884 
12.80712 
1 1 1 -20 -22 12 o 44.74405 6.157780  474.1068       112.4729 875.1959       
188.4938 252.3453       140.1585 59.58490 7.534975 29.90320 9.741518 29.68170 
12.31556 
1 1 1 -20 -22 13 o 22.24620 6.567668  85.20397       102.4772 207.1588       
164.3912 7.692161       131.0578 26.35500 10.28542 18.13740 8.169899 8.217602 
13.13534 
1 1 1 -20 -22 14 o 20.09081 6.174393  62.18612       101.9462 -38.22830      
165.3540 123.7599       129.4835 18.15681 8.518391 22.02481 8.940331 -3.868000 
12.34879 
1 1 1 -20 -21 1  o 64.98014 5.218723  927.1352       141.0487 951.7974       
188.8431 896.0164       212.1269 66.16055 6.798657 63.79974 7.919503 2.360806 
10.43745 
1 1 1 -20 -21 2  o 37.32337 6.935522  339.8828       108.8745 264.4181       
186.5324 378.8761       134.0842 33.92643 11.23813 40.72031 8.130825 -6.793880 
13.87104 
1 1 1 -20 -21 3  f 35.85954 6.691524  310.6373       99.54152 264.4343       
173.4103 333.3429       121.5642 33.60294 10.82809 38.11615 7.865012 -4.513203 
13.38305 
1 1 1 -20 -21 4  o 42.94999 5.826879  440.3203       97.48312 360.7208       
161.2000 486.2134       122.4005 38.73798 9.879066 47.16200 6.181758 -8.424023 
11.65376 
1 1 1 -20 -21 5  o 22.06966 6.299011  37.63815       92.06695 143.7779       
146.1599 -32.17773      118.5404 26.56064 9.854230 17.57867 7.848841 8.981966 
12.59802 
1 1 1 -20 -21 6  o 29.91631 5.659213  194.3663       84.18794 365.9933       
122.6348 41.38945       115.7801 39.67506 7.634806 20.15757 8.355628 19.51749 
11.31843 
1 1 1 -20 -21 7  o 19.50240 5.771336  3.639076       84.41925 -83.23638      
115.3420 103.8675       123.8895 15.60054 7.260125 23.40427 8.973508 -7.803730 
11.54267 
1 1 1 -20 -21 8  o 24.49391 6.283154  123.4729       89.99921 23.59331       
138.5426 196.3948       118.3788 20.54527 8.850848 28.44256 8.920458 -7.897285 
12.56631 
1 1 1 -20 -21 9  o 33.98490 6.277479  285.5966       87.39234 295.9257       
150.1075 280.3003       107.4875 33.86581 9.923964 34.10399 7.690379 
-0.2381859     12.55496 
1 1 1 -20 -21 10 o 31.63002 6.113804  245.5758       82.92961 302.2544       
129.0091 205.6622       108.2608 34.53409 8.856090 28.72596 8.431138 5.808130 
12.22761 
1 1 1 -20 -21 11 o 29.44148 6.583228  228.0160       90.75487 201.2977       
151.0674 243.1045       113.5243 27.98730 10.06109 30.89566 8.492939 -2.908356 
13.16646 
1 1 1 -20 -21 12 o 21.78617 6.113645  95.18909       83.93998 59.15629       
134.1081 118.3980       107.6301 20.86249 8.837573 22.70986 8.450084 -1.847370 
12.22729 
1 1 1 -20 -21 13 o 28.44883 6.408569  229.7265       91.21889 140.0222       
153.5849 278.6161       113.3836 24.31464 9.791316 32.58303 8.270982 -8.268394 
12.81714 
1 1 1 -20 -21 14 f 23.44998 6.638565  140.6287       97.39922 151.5827       
157.5975 133.8591       123.8926 24.03369 9.827160 22.86627 8.927996 1.167419 
13.27713 
1 1 1 -20 -21 15 o 32.41672 7.173127  342.8414       110.0131 306.9834       
169.4053 368.9926       144.6703 30.00142 10.66726 34.83202 9.592943 -4.830595 
14.34625 
1 1 1 -20 -20 1  o 24.50068 7.080976  31.82468       126.7717 155.2675       
162.5782 -159.6561      202.4845 28.41277 10.41518 20.58860 9.596089 7.824162 
14.16195 
1 1 1 -20 -20 2  o 52.29281 5.150355  600.1423       110.7825 576.2771       
172.7807 616.8024       144.3617 51.18963 8.039597 53.39599 6.439682 -2.206364 
10.30071 
1 1 1 -20 -20 3  o 89.66026 4.476151  1702.454       157.4353 1858.507       
282.3453 1632.043       189.6557 92.10069 7.301949 87.21983 5.179309 4.880859 
8.952301 
1 1 1 -20 -20 4  o 34.30477 6.804520  277.8717       101.6182 260.9523       
155.8454 290.3857       134.0291 33.37754 10.18884 35.23200 9.021841 -1.854454 
13.60904 
1 1 1 -20 -20 5  o 32.62719 6.848676  230.6385       99.01454 345.0450       
165.7357 167.1422       123.4710 37.84829 10.19897 27.40609 9.143226 10.44220 
13.69735 
1 1 1 -20 -20 6  o 22.05945 6.262668  7.188303       96.22009 173.3358       
150.9955 -106.4078      124.8530 28.21001 10.06689 15.90889 7.452636 12.30112 
12.52534 
1 1 1 -20 -20 7  o 37.17926 5.960029  330.2047       87.11502 300.2767       
156.4096 343.6640       104.8903 34.93782 10.09561 39.42070 6.337706 -4.482880 
11.92006 
1 1 1 -20 -20 8  o 27.35619 5.777076  173.1461       85.04083 5.296705       
132.9180 289.4708       110.6521 19.70914 8.582006 35.00324 7.736125 -15.29410 
11.55415 
1 1 1 -20 -20 9  o 61.25098 4.351344  816.9091       103.6050 896.0170       
188.5666 782.7017       123.9981 62.66228 7.167696 59.83968 4.935678 2.822601 
8.702688 
1 1 1 -20 -20 10 o 34.89334 5.497646  298.3832       80.07460 227.7262       
120.5288 354.2101       107.1358 30.24545 8.902068 39.54122 6.453653 -9.295771 
10.99529 
1 1 1 -20 -20 11 o 39.17344 5.768038  391.2533       89.83257 307.6875       
147.7263 440.2870       113.1593 34.26899 9.782066 44.07788 6.114919 -9.808887 
11.53608 
1 1 1 -20 -20 12 o 18.81307 5.985328  -28.93275      96.76809 45.40335       
155.8171 -75.60336      123.4631 21.58936 9.344509 16.03678 7.481760 5.552576 
11.97066 
1 1 1 -20 -20 13 o 27.13628 6.898839  187.5356       101.5697 247.3834       
149.2427 135.8993       138.6266 29.99246 10.05225 24.28010 9.451354 5.712366 
13.79768 
1 1 1 -20 -20 14 o 79.47400 4.686966  1491.323       152.2610 1576.307       
246.5017 1438.895       193.6118 80.24358 7.316960 78.70441 5.859410 1.539162 
9.373932 
1 1 1 -20 -20 15 o 36.41792 6.926633  409.4009       111.4567 322.6060       
172.5253 471.5732       146.0173 31.39120 10.80315 41.44464 8.672078 -10.05344 
13.85327 
1 1 1 -20 -20 16 o 23.41757 6.955613  149.4850       115.6052 153.8202       
170.5590 145.8008       157.2336 23.61628 9.983412 23.21885 9.687811 0.3974228 
13.91123 
1 1 1 -20 -19 1  o 28.89459 8.014538  128.9075       139.2342 134.0193       
177.0870 120.6312       225.3301 28.13062 10.74505 29.65855 11.89433 -1.527935 
16.02908 
1 1 1 -20 -19 2  o 37.54190 6.878488  328.1168       109.0764 296.1266       
166.9541 351.9405       144.0767 35.85887 10.45262 39.22493 8.944108 -3.366062 
13.75698 
1 1 1 -20 -19 3  o 22.86112 6.403075  46.86478       100.4636 -87.37955      
154.7311 144.7013       132.0931 18.99554 8.666718 26.72669 9.427909 -7.731144 
12.80615 
1 1 1 -20 -19 4  o 68.62383 4.521079  1043.739       126.1263 907.3122       
196.5800 1139.195       164.4331 64.40961 7.269588 72.83803 5.377149 -8.428413 
9.042158 
1 1 1 -20 -19 5  o 100.8001 4.995633  2250.254       192.1099 2171.034       
350.2179 2284.352       229.7631 98.57915 8.462025 103.0211 5.312207 -4.442001 
9.991266 
1 1 1 -20 -19 6  o 29.88406 6.942761  193.6461       97.43402 249.0133       
163.7168 163.2805       121.2433 32.61493 10.52224 27.15319 9.060367 5.461737 
13.88552 
1 1 1 -20 -19 7  o 17.45955 5.642265  -178.0972      97.65640 52.83741       
153.2626 -335.9433      126.7093 22.96950 9.573006 11.94959 5.974797 11.01991 
11.28453 
1 1 1 -20 -19 8  o 31.54350 6.772353  234.0542       94.94868 263.1672       
156.7896 217.1949       119.3146 32.86403 10.25801 30.22296 8.844904 2.641075 
13.54471 
1 1 1 -20 -19 9  o 63.04888 3.894047  870.4347       100.9235 881.7265       
159.9978 862.9731       130.0626 63.11076 6.038535 62.98700 4.918385 0.1237526 
7.788095 
1 1 1 -20 -19 10 o 43.50085 5.860873  461.9219       102.0397 382.0134       
157.4084 519.8403       134.0107 39.00088 9.652919 48.00082 6.649850 -8.999943 
11.72175 
1 1 1 -20 -19 11 o 62.58097 4.049467  873.6517       106.3618 865.3019       
151.7879 881.7066       149.0851 62.23366 5.809421 62.92828 5.642991 
-0.6946144     8.098933 
1 1 1 -20 -19 12 o 38.84739 6.614086  386.8136       106.1946 394.8949       
159.3259 380.3535       142.4508 38.89907 9.762846 38.79570 8.925883 0.1033707 
13.22817 
1 1 1 -20 -19 13 o 62.18362 4.853426  899.6854       124.1149 923.0676       
196.4642 884.1558       160.1116 62.21848 7.521167 62.14876 6.136368 
0.6971741E-01  9.706851 
1 1 1 -20 -19 14 o 25.03486 6.923288  145.3234       106.0536 184.9013       
154.9893 110.4763       145.4314 26.77360 10.10305 23.29612 9.468692 3.477478 
13.84658 
1 1 1 -20 -19 15 o 26.98114 6.902350  190.0382       110.4921 60.80103       
160.1903 307.3248       152.6043 21.50190 9.391481 32.46038 10.11780 -10.95849 
13.80470 
1 1 1 -20 -19 16 o 33.58924 6.734820  355.5626       109.4756 206.5207       
168.0464 465.4543       144.2971 26.07738 10.33664 41.10110 8.636264 -15.02372 
13.46964 
1 1 1 -20 -18 1  o 130.7914 5.988921  3687.129       321.2368 3542.480       
409.1879 3919.482       518.6089 127.9447 7.617659 133.6382 9.243374 -5.693466 
11.97784 
1 1 1 -20 -18 2  o 54.99457 5.632692  682.1411       121.6753 595.9427       
192.9287 739.0702       156.7886 51.33052 9.293870 58.65862 6.366543 -7.328102 
11.26538 
1 1 1 -20 -18 3  o 122.6572 5.679847  3237.671       268.9411 3410.221       
491.9836 3164.135       321.1761 124.0417 9.447222 121.2727 6.308141 2.769005 
11.35969 
1 1 1 -20 -18 4  o 42.15609 6.668712  407.9855       112.0636 413.2380       
184.7758 404.9295       140.9436 42.00648 10.49618 42.30569 8.229042 
-0.2992172     13.33742 
1 1 1 -20 -18 5  o 37.39890 6.335812  354.8066       103.9959 153.1709       
176.4784 462.0753       128.7195 28.66119 10.78930 46.13660 6.645380 -17.47541 
12.67162 
1 1 1 -20 -18 6  o 86.87408 4.646688  1604.359       154.9650 1746.183       
288.5439 1546.872       183.7069 88.89410 7.731434 84.85408 5.156723 4.040016 
9.293377 
1 1 1 -20 -18 7  o 57.77003 5.045705  746.8093       112.0243 707.9620       
200.5215 764.4348       135.0677 56.06335 8.519280 59.47672 5.409106 -3.413364 
10.09141 
1 1 1 -20 -18 8  o 30.97423 6.510849  239.3961       95.56710 113.2874       
167.9212 299.8100       116.2256 26.05981 10.33181 35.88865 7.925805 -9.828840 
13.02170 
1 1 1 -20 -18 9  o 68.80118 4.200782  1023.436       111.3042 1081.542       
204.4774 998.9702       132.6838 69.57516 7.000230 68.02720 4.645757 1.547958 
8.401564 
1 1 1 -20 -18 10 o 112.4353 5.021430  2877.623       210.4105 2791.533       
396.7164 2911.319       248.1958 109.3530 8.641129 115.5176 5.117611 -6.164597 
10.04286 
1 1 1 -20 -18 11 o 60.29887 4.405228  815.4708       110.1999 669.5318       
153.6585 970.0273       158.1301 54.41970 6.725452 66.17805 5.691433 -11.75834 
8.810455 
1 1 1 -20 -18 12 o 24.25619 6.641696  95.19559       105.3401 -26.29821      
151.4662 209.0082       146.5999 19.52151 8.788753 28.99088 9.960238 -9.469372 
13.28339 
1 1 1 -20 -18 13 o 76.40907 4.735607  1309.679       145.1288 1467.409       
249.2629 1228.788       178.5051 78.91158 7.523813 73.90658 5.752924 5.004997 
9.471214 
1 1 1 -20 -18 14 o 25.29769 6.649265  147.5452       101.7342 34.85021       
160.2820 223.5777       131.6534 21.39697 9.369486 29.19841 9.437352 -7.801443 
13.29853 
1 1 1 -20 -18 15 o 34.55827 7.036615  312.5309       106.9117 447.6443       
174.1061 230.7445       135.4583 39.95685 10.31218 29.15968 9.576783 10.79717 
14.07323 
1 1 1 -20 -18 16 o 23.58260 6.797152  128.3056       108.1745 70.98638       
170.6161 166.8355       139.8843 22.06268 9.663860 25.10251 9.561113 -3.039827 
13.59430 
1 1 1 -20 -18 17 o 25.51164 7.017062  191.1817       105.5174 217.6712       
172.3767 175.3079       133.4389 26.33276 10.45916 24.69053 9.357484 1.642227 
14.03412 
1 1 1 -20 -17 1  o 81.33808 5.693758  1437.625       193.4737 1553.668       
269.0546 1313.371       278.4116 84.89858 7.548506 77.77758 8.526171 7.121002 
11.38752 
1 1 1 -20 -17 2  o 46.48132 6.458140  502.1056       119.5319 393.3720       
188.8451 574.7888       154.3975 41.30559 10.77716 51.65705 7.119211 -10.35146 
12.91628 
1 1 1 -20 -17 3  o 126.2128 5.562287  3417.950       269.3964 3565.068       
497.0558 3356.761       320.5617 127.2694 9.302552 125.1562 6.100710 2.113243 
11.12457 
1 1 1 -20 -17 4  o 119.1510 4.678804  3023.754       224.7932 3192.704       
378.3264 2931.556       279.4775 121.2855 7.429831 117.0166 5.688799 4.268906 
9.357608 
1 1 1 -20 -17 5  o 28.98859 7.029800  169.7958       100.6256 216.8213       
165.9084 142.4306       126.5614 31.53574 10.59866 26.44144 9.238001 5.094297 
14.05960 
1 1 1 -20 -17 6  o 32.84208 6.843029  193.7407       102.6383 422.2889       
182.4566 87.93601       124.1433 42.36604 10.33555 23.31812 8.971321 19.04791 
13.68606 
1 1 1 -20 -17 7  o 61.78629 4.920953  809.1613       111.2667 890.4873       
223.9929 782.5200       128.2025 63.18945 8.443271 60.38313 5.057105 2.806316 
9.841907 
1 1 1 -20 -17 8  o 72.44157 4.138749  1122.139       120.5146 1200.324       
204.7499 1080.695       149.0726 74.02068 6.588578 70.86246 5.010750 3.158218 
8.277498 
1 1 1 -20 -17 9  o 37.41831 6.069910  319.5101       90.42928 372.1041       
152.0356 290.7176       112.4909 39.46020 9.315430 35.37643 7.784472 4.083775 
12.13982 
1 1 1 -20 -17 10 o 25.51616 6.552219  135.4679       92.87981 81.88245       
140.3748 177.1944       123.8715 23.31996 9.373183 27.71236 9.158042 -4.392397 
13.10444 
1 1 1 -20 -17 11 o 37.15887 6.066792  328.1986       93.15635 412.1774       
138.8415 259.4387       125.6326 41.67264 8.228680 32.64509 8.916990 9.027554 
12.13358 
1 1 1 -20 -17 12 o 20.98267 6.163669  44.59555       90.98476 97.08382       
130.2090 -5.485405      127.1880 23.15504 9.123878 18.81029 8.289639 4.344749 
12.32734 
1 1 1 -20 -17 13 o 18.97846 6.041610  -23.52228      99.41406 -62.32379      
164.4560 -1.178308      124.7974 19.30469 8.859370 18.65224 8.216799 0.6524544 
12.08322 
1 1 1 -20 -17 14 o 45.42137 5.862029  567.5112       104.8961 239.6729       
158.3882 823.6423       139.9988 30.19265 10.35491 60.65009 5.498117 -30.45745 
11.72406 
1 1 1 -20 -17 15 o 29.80188 7.035524  242.1296       105.5582 187.0185       
167.8691 278.1723       135.7562 27.26513 10.44793 32.33862 9.425241 -5.073496 
14.07105 
1 1 1 -20 -17 16 o 57.64908 5.791013  854.2936       129.3974 715.4960       
202.9233 949.4055       167.9803 51.52702 9.735415 63.77114 6.274154 -12.24413 
11.58203 
1 1 1 -20 -17 17 o 32.29067 6.940919  322.1873       110.0327 205.6597       
178.9939 392.9704       139.5046 26.71205 10.64285 37.86929 8.912636 -11.15724 
13.88184 
1 1 1 -20 -17 18 o 26.26991 7.321310  206.6648       117.4486 298.9611       
186.0269 145.4904       151.4497 29.25231 11.05964 23.28750 9.596385 5.964808 
14.64262 
1 1 1 -20 -16 1  o 44.22331 8.335826  464.6884       161.3354 566.5783       
209.2822 315.4416       253.2908 50.02360 10.31738 38.42303 13.09564 11.60057 
16.67165 
1 1 1 -20 -16 2  o 54.10622 7.601683  673.5750       165.5712 736.0606       
215.1760 582.8788       259.2378 58.19189 8.807497 50.02055 12.39235 8.171341 
15.20337 
1 1 1 -20 -16 3  o 76.63094 5.152768  1311.153       156.2453 1111.229       
256.9319 1428.473       196.8208 71.44556 8.565718 81.81631 5.729969 -10.37074 
10.30554 
1 1 1 -20 -16 4  o 84.96547 4.365205  1573.018       152.5151 1387.746       
231.6083 1714.867       202.6572 80.26402 6.873126 89.66693 5.383327 -9.402916 
8.730411 
1 1 1 -20 -16 5  o 75.65321 5.122322  1276.864       146.5072 1149.035       
266.3441 1332.321       175.4324 72.30933 8.773439 78.99709 5.289562 -6.687759 
10.24464 
1 1 1 -20 -16 6  o 54.10709 4.956206  624.9801       104.0939 661.7022       
188.9739 608.9843       124.7212 54.90992 8.197325 53.30426 5.573132 1.605663 
9.912413 
1 1 1 -20 -16 7  o 84.74106 4.194014  1482.801       131.8531 1690.537       
262.6430 1412.804       152.4571 88.05979 7.104103 81.42233 4.459901 6.637466 
8.388027 
1 1 1 -20 -16 8  o 20.24246 6.211451  -14.14286      94.75408 46.37033       
157.2608 -48.63286      118.7250 23.25394 9.694663 17.23097 7.768011 6.022970 
12.42290 
1 1 1 -20 -16 9  o 28.26216 7.057219  172.2477       102.1646 147.6956       
174.9760 184.9473       125.8431 27.96701 10.68132 28.55731 9.226413 
-0.5902996     14.11444 
1 1 1 -20 -16 10 o 54.88993 4.672996  655.8828       105.9705 715.9781       
168.0211 616.1885       136.5549 56.76332 7.050457 53.01654 6.135033 3.746777 
9.345992 
1 1 1 -20 -16 11 o 84.70190 3.393622  1517.420       118.0839 1723.550       
191.9053 1391.819       149.8006 89.04057 5.133576 80.36323 4.439940 8.677345 
6.787243 
1 1 1 -20 -16 12 o 33.90569 6.335780  238.8173       91.18021 446.7065       
161.5608 141.6534       110.4517 42.72869 9.266662 25.08270 8.642766 17.64599 
12.67156 
1 1 1 -20 -16 13 o 36.64008 6.844462  340.9226       107.1805 316.0281       
154.7318 363.8849       148.6058 35.15160 10.00410 38.12856 9.343698 -2.976959 
13.68892 
1 1 1 -20 -16 14 o 17.13220 5.663324  -104.0897      102.8619 -172.3394      
150.9006 -44.85293      140.5841 15.99941 7.692335 18.26498 8.313902 -2.265574 
11.32665 
1 1 1 -20 -16 15 o 37.29143 6.669361  363.8504       103.8213 349.9975       
160.6894 373.7770       136.0248 36.07097 10.17223 38.51188 8.628279 -2.440914 
13.33872 
1 1 1 -20 -16 16 o 40.53776 6.710427  468.8570       119.7863 269.6241       
188.7308 603.2562       155.0102 30.83775 11.22969 50.23777 7.349385 -19.40001 
13.42085 
1 1 1 -20 -16 17 o 28.98813 7.280419  239.2567       110.9326 221.1284       
179.8703 250.3848       140.9258 28.06092 10.79821 29.91533 9.768147 -1.854410 
14.56084 
1 1 1 -20 -16 18 f 16.19409 5.498827  -121.1595      107.7930 -144.4765      
161.5312 -102.4399      144.7330 16.25271 7.849239 16.13547 7.703107 0.1172371 
10.99765 
1 1 1 -20 -16 19 o 18.94457 6.152984  2.817974       113.5067 -46.92815      
167.9283 44.66385       154.0177 18.07814 8.505590 19.81100 8.893355 -1.732859 
12.30597 
1 1 1 -20 -15 1  o 36.74130 8.492032  289.9167       149.7098 276.5838       
199.4273 307.1323       226.6117 35.78214 11.62008 37.70046 12.38677 -1.918324 
16.98406 
1 1 1 -20 -15 2  o 43.64717 8.233804  438.9290       153.7404 468.3367       
206.3183 402.2126       230.5353 45.28030 10.95593 42.01405 12.29430 3.266254 
16.46761 
1 1 1 -20 -15 3  o 51.38756 6.023037  562.4824       125.2583 717.7965       
196.9066 456.9127       162.3396 57.62462 8.139041 45.15049 8.880536 12.47412 
12.04607 
1 1 1 -20 -15 4  o 76.70604 4.361531  1214.103       136.2502 1441.732       
228.4416 1088.417       169.7477 81.97545 6.637622 71.43664 5.659838 10.53881 
8.723062 
1 1 1 -20 -15 5  o 53.88944 5.547563  661.0594       107.2199 588.0708       
200.6752 690.2203       126.8428 50.87836 9.742117 56.90052 5.309706 -6.022163 
11.09513 
1 1 1 -20 -15 6  o 52.27418 5.682096  617.4092       109.9231 570.4905       
198.0729 638.2906       132.1389 49.95617 9.793175 54.59218 5.765291 -4.636005 
11.36419 
1 1 1 -20 -15 7  o 39.23761 6.756202  342.0999       106.2051 407.5795       
181.9247 308.2467       130.8093 41.76377 10.40236 36.71144 8.624146 5.052326 
13.51240 
1 1 1 -20 -15 8  o 79.28877 4.107238  1364.713       127.7273 1322.792       
222.6593 1385.274       155.9353 78.00117 6.799246 80.57637 4.609542 -2.575195 
8.214477 
1 1 1 -20 -15 9  o 17.66011 5.765144  -86.77431      97.20380 -129.6454      
161.0087 -62.18766      121.9318 18.25712 8.527843 17.06309 7.760376 1.194036 
11.53029 
1 1 1 -20 -15 10 o 111.8993 4.765396  2746.838       194.1834 2761.599       
384.6487 2741.790       224.9532 110.8268 8.266862 112.9719 4.742887 -2.145180 
9.530791 
1 1 1 -20 -15 11 o 46.58790 4.911981  453.8277       89.78490 564.5375       
164.8299 407.1201       107.0623 50.03578 7.846506 43.14002 5.911223 6.895760 
9.823961 
1 1 1 -20 -15 12 o 60.74668 4.807206  863.7770       106.4858 734.4066       
199.9178 915.0193       125.8196 56.42285 8.439518 65.07052 4.605589 -8.647671 
9.614411 
1 1 1 -20 -15 13 o 35.22511 6.396758  306.9570       92.44256 290.3364       
157.7684 315.6466       114.0765 33.92027 10.23105 36.52994 7.681119 -2.609665 
12.79352 
1 1 1 -20 -15 14 o 17.76966 5.672470  -44.92418      90.95011 -95.66891      
125.8423 10.56715       131.5963 15.95681 7.476339 19.58252 8.532996 -3.625713 
11.34494 
1 1 1 -20 -15 15 o 25.62734 6.970855  144.7761       105.4665 127.5670       
160.5331 157.8444       139.8926 25.18966 10.06553 26.06502 9.646571 
-0.8753510     13.94171 
1 1 1 -20 -15 16 o 32.56981 7.146192  283.4724       106.3583 299.1504       
168.2959 273.0470       137.2380 32.94415 10.67237 32.19546 9.506461 0.7486954 
14.29238 
1 1 1 -20 -15 17 o 35.19016 7.140120  350.6440       114.1205 274.5966       
171.3299 411.2914       153.0022 31.08917 10.75922 39.29115 9.389586 -8.201971 
14.28024 
1 1 1 -20 -15 18 o 27.76867 6.700799  210.7540       109.6916 29.83184       
173.6224 330.9418       141.5110 21.11590 9.461666 34.42145 9.491032 -13.30555 
13.40160 
1 1 1 -20 -15 19 o 21.66468 6.516548  44.28731       107.7905 232.7888       
172.8069 -75.76441      137.9075 27.13032 10.55414 16.19904 7.646684 10.93128 
13.03310 
1 1 1 -20 -14 1  o 66.48747 6.194940  954.7320       171.7789 986.5176       
232.5119 916.5328       254.8917 67.81721 8.166318 65.15773 9.317745 2.659477 
12.38988 
1 1 1 -20 -14 2  o 80.79927 5.594997  1398.580       189.5010 1353.675       
259.4272 1449.949       277.4717 79.44154 7.778377 82.15700 8.044429 -2.715454 
11.18999 
1 1 1 -20 -14 3  o 21.41236 6.335712  -52.35106      100.6674 129.1797       
163.8791 -162.3602      127.5742 27.65539 10.39971 15.16934 7.239542 12.48605 
12.67142 
1 1 1 -20 -14 4  o 80.40171 4.378679  1370.252       131.9774 1402.720       
252.5055 1358.048       154.8059 80.74949 7.448214 80.05393 4.606022 0.6955566 
8.757359 
1 1 1 -20 -14 5  o 142.5387 5.428350  4337.471       284.8663 4503.717       
561.4401 4279.835       330.5789 143.3825 9.326710 141.6950 5.557016 1.687454 
10.85670 
1 1 1 -20 -14 6  o 70.03674 4.438008  1012.165       124.5272 1186.139       
217.0687 926.8221       152.0327 74.17656 6.970304 65.89692 5.495319 8.279640 
8.876017 
1 1 1 -20 -14 7  o 44.94522 6.281004  458.0297       108.7982 436.3109       
191.0484 468.4540       132.3569 43.30304 10.58353 46.58741 6.767047 -3.284374 
12.56201 
1 1 1 -20 -14 8  o 46.28053 6.031680  492.9016       106.4451 443.1246       
185.0595 517.5128       130.1258 43.58300 10.27025 48.97804 6.328244 -5.395039 
12.06336 
1 1 1 -20 -14 9  o 19.47655 5.582173  4.596839       84.86441 -304.2742      
168.0196 110.3803       98.32868 15.60135 7.636407 23.35175 8.144196 -7.750399 
11.16435 
1 1 1 -20 -14 10 o 36.63850 6.234328  338.5198       94.17132 204.3055       
172.3044 395.6866       112.4524 30.62881 10.77143 42.64820 6.280426 -12.01939 
12.46866 
1 1 1 -20 -14 11 o 101.5675 3.342568  2194.495       135.5329 2292.537       
232.6032 2144.097       166.7681 102.9133 5.383507 100.2216 3.963444 2.691681 
6.685136 
1 1 1 -20 -14 12 o 63.40957 4.131471  843.2759       104.6576 1000.834       
183.8064 767.6889       127.3102 67.29907 6.505380 59.52007 5.094727 7.779007 
8.262941 
1 1 1 -20 -14 13 o 35.11641 5.779346  340.7477       98.24307 36.98561       
169.5339 494.3263       120.5466 22.94611 9.835310 47.28671 6.072073 -24.34060 
11.55869 
1 1 1 -20 -14 14 o 33.07934 6.049817  275.9203       87.42195 186.1035       
133.7816 342.8575       115.4917 27.97815 9.517327 38.18053 7.471386 -10.20238 
12.09963 
1 1 1 -20 -14 15 f 42.12262 5.445010  404.5186       92.90800 538.1461       
146.4454 314.5055       120.1934 48.30918 7.220496 35.93605 8.152114 12.37312 
10.89002 
1 1 1 -20 -14 16 o 65.14041 4.615391  964.7147       123.7391 1011.428       
196.6746 934.1086       159.1953 65.93015 7.105347 64.35066 5.892484 1.579491 
9.230782 
1 1 1 -20 -14 17 o 109.5901 6.370741  2929.904       254.1776 3185.434       
502.1475 2841.879       294.7236 108.1090 11.06344 111.0712 6.320253 -2.962173 
12.74148 
1 1 1 -20 -14 18 o 31.38042 7.580207  284.6804       120.0977 275.5453       
178.7113 292.2034       162.1776 30.80318 10.95593 31.95766 10.47882 -1.154476 
15.16041 
1 1 1 -20 -14 19 o 25.82937 6.874882  183.7199       100.1425 156.6896       
176.4350 196.5665       121.6337 24.96605 10.32964 26.69268 9.074943 -1.726624 
13.74976 
1 1 1 -20 -14 20 o 25.70330 7.121599  199.6104       107.1452 192.6824       
211.7183 201.9957       124.2278 25.27329 10.91514 26.13331 9.150330 
-0.8600273     14.24320 
1 1 1 -20 -13 1  o 65.07374 6.602856  944.2511       169.7440 1201.316       
238.7207 681.3610       241.4103 75.00287 7.581119 55.14461 10.81284 19.85826 
13.20571 
1 1 1 -20 -13 2  f 83.98345 4.948871  1513.324       171.3334 1452.022       
265.8314 1556.884       224.0858 82.38452 7.685671 85.58238 6.236645 -3.197861 
9.897741 
1 1 1 -20 -13 3  o 80.73425 4.356771  1393.317       139.1339 1367.292       
239.7695 1406.529       170.8389 79.97681 7.140867 81.49170 4.993378 -1.514893 
8.713541 
1 1 1 -20 -13 4  o 114.1619 4.659971  2781.577       204.7694 2787.892       
372.9536 2778.852       245.0008 113.8626 7.801799 114.4612 5.098356 
-0.5986099     9.319942 
1 1 1 -20 -13 5  o 123.0372 5.543568  3267.737       267.7235 3259.893       
469.5122 3271.516       325.8981 122.3301 9.141864 123.7443 6.273032 -1.414284 
11.08714 
1 1 1 -20 -13 6  o 31.38206 6.782156  105.5960       107.5512 450.3982       
198.5266 -37.63774      127.9547 44.19458 10.78077 18.56954 8.231986 25.62504 
13.56431 
1 1 1 -20 -13 7  o 116.6465 4.358569  2852.306       195.2339 3080.075       
363.3585 2759.861       231.4873 119.3793 7.249825 113.9137 4.840301 5.465561 
8.717137 
1 1 1 -20 -13 8  o 67.69617 4.433429  918.7075       109.0675 1124.230       
227.7088 857.5186       124.2471 71.90955 7.542481 63.48280 4.661774 8.426754 
8.866858 
1 1 1 -20 -13 9  o 40.63153 5.894514  401.1149       93.68034 274.4445       
157.5881 470.3426       116.5000 34.51050 10.18595 46.75256 5.935286 -12.24207 
11.78903 
1 1 1 -20 -13 10 o 25.22700 6.199742  134.3648       86.37167 -45.28084      
174.3258 192.8123       99.43436 21.37994 9.532884 29.07405 7.929146 -7.694118 
12.39948 
1 1 1 -20 -13 11 o 29.81620 6.741962  205.1460       93.56744 166.7190       
164.5293 223.5148       113.7534 28.58839 10.47769 31.04401 8.487300 -2.455618 
13.48392 
1 1 1 -20 -13 12 o 77.35480 3.908925  1315.011       120.4648 1245.279       
202.1208 1353.427       150.0219 75.31191 6.392466 79.39769 4.500574 -4.085777 
7.817851 
1 1 1 -20 -13 13 o 56.73415 5.163933  684.7288       109.7371 810.5260       
216.0213 640.9753       127.3996 59.30416 8.676259 54.16412 5.602441 5.140041 
10.32787 
1 1 1 -20 -13 14 o 42.30571 6.172477  473.6308       99.42532 303.7096       
177.7437 551.0115       119.9464 34.59256 10.94409 50.01887 5.711816 -15.42631 
12.34495 
1 1 1 -20 -13 15 o 27.42600 6.548287  179.3505       91.86235 125.9476       
137.7278 222.1464       123.2934 24.80428 9.475575 30.04772 9.040670 -5.243439 
13.09657 
1 1 1 -20 -13 16 o 19.25965 5.768867  -34.46621      88.37016 131.4946       
136.0778 -155.5017      116.2093 24.75886 9.430157 13.76043 6.647663 10.99843 
11.53773 
1 1 1 -20 -13 17 o 29.93344 6.995152  239.4605       104.2552 174.4613       
174.5452 275.5114       129.9906 27.19910 10.60170 32.66779 9.128664 -5.468681 
13.99030 
1 1 1 -20 -13 18 o 23.82410 6.625064  121.6705       101.6396 20.96587       
174.1503 173.6935       125.1691 21.46973 9.551744 26.17848 9.183142 -4.708748 
13.25013 
1 1 1 -20 -13 19 o 32.03321 7.154047  311.4843       115.3960 183.3199       
203.1923 372.5004       140.1991 26.81161 11.08877 37.25481 9.042165 -10.44320 
14.30809 
1 1 1 -20 -13 20 o 36.18115 7.231882  395.8939       112.3994 409.5506       
188.7695 388.3924       139.9036 35.16832 11.29394 37.19398 9.035892 -2.025665 
14.46376 
1 1 1 -20 -13 21 o 39.06092 7.488147  491.6641       123.4218 506.7543       
207.6603 483.4221       153.4695 37.32332 11.83148 40.79852 9.181806 -3.475193 
14.97629 
1 1 1 -20 -12 1  o 38.39069 8.783576  317.7296       165.7876 400.2961       
218.8600 206.5625       253.9525 42.20022 11.86209 34.58115 12.95745 7.619076 
17.56715 
1 1 1 -20 -12 2  o 74.08466 5.385107  1172.558       167.4444 1153.090       
238.3571 1191.525       235.2771 73.45839 7.728724 74.71091 7.500956 -1.252525 
10.77021 
1 1 1 -20 -12 3  o 54.96881 5.758658  616.7524       127.3113 757.8889       
221.4065 547.0367       155.6097 59.32880 8.888855 50.60882 7.323716 8.719975 
11.51732 
1 1 1 -20 -12 4  o 132.9695 5.720617  3832.507       297.9214 3704.439       
520.4902 3894.911       363.3258 130.7257 9.483588 135.2133 6.400267 -4.487564 
11.44123 
1 1 1 -20 -12 5  o 28.96537 7.591373  147.3799       119.8933 160.3027       
195.1684 139.5475       151.9430 30.31396 11.35908 27.61678 10.07408 2.697174 
15.18275 
1 1 1 -20 -12 6  o 47.64134 5.901433  540.8918       106.2518 378.8972       
175.5601 634.5246       133.4718 40.72915 10.26387 54.55354 5.827575 -13.82439 
11.80287 
1 1 1 -20 -12 7  o 31.88887 6.772201  237.5645       95.29460 143.3035       
187.9797 270.1670       110.5531 29.09942 11.08354 34.67833 7.784988 -5.578903 
13.54440 
1 1 1 -20 -12 8  o 99.11659 4.840165  2047.180       159.0521 2236.898       
367.4639 2003.443       176.4360 101.0633 8.660484 97.16986 4.324906 3.893456 
9.680330 
1 1 1 -20 -12 9  f 73.96059 4.256345  1201.098       117.7873 1115.895       
220.0898 1235.297       139.4362 71.67726 7.313742 76.24391 4.356037 -4.566650 
8.512690 
1 1 1 -20 -12 10 o 86.43069 4.352994  1593.307       143.5878 1657.783       
267.4565 1567.199       170.1945 87.16249 7.308775 85.69889 4.730330 1.463600 
8.705988 
1 1 1 -20 -12 11 o 70.09589 4.717878  1096.443       122.2223 1013.399       
231.8070 1128.419       143.8408 67.56612 8.171815 72.62565 4.717515 -5.059525 
9.435757 
1 1 1 -20 -12 12 o 88.92523 4.033409  1698.371       137.9562 1754.953       
253.0032 1674.430       164.5750 89.40999 6.740017 88.44047 4.432348 0.9695206 
8.066817 
1 1 1 -20 -12 13 o 49.72741 5.176081  514.4744       98.81030 649.2755       
189.2783 463.9760       115.8491 53.40921 8.441228 46.04561 5.992739 7.363605 
10.35216 
1 1 1 -20 -12 14 o 16.64568 5.474302  -88.50921      91.34401 -237.4521      
170.0106 -28.06431      108.3043 16.46391 7.968651 16.82744 7.508165 
-0.3635311     10.94860 
1 1 1 -20 -12 15 o 24.61082 6.501740  123.5003       89.07591 140.5783       
139.5315 111.7525       115.7265 25.75038 9.613301 23.47125 8.756421 2.279129 
13.00348 
1 1 1 -20 -12 16 o 22.87237 6.416906  92.99519       92.12122 64.57807       
142.1044 113.5940       120.9869 22.20001 9.232933 23.54473 8.914016 -1.344725 
12.83381 
1 1 1 -20 -12 17 o 32.30501 6.382093  274.8003       94.00907 180.7947       
146.5136 340.5873       122.5663 27.31957 9.899622 37.29045 8.057416 -9.970877 
12.76419 
1 1 1 -20 -12 18 o 25.77287 6.269346  150.6509       102.4752 -100.4543      
177.3807 276.4405       125.5454 18.82233 8.829206 32.72341 8.903029 -13.90108 
12.53869 
1 1 1 -20 -12 19 o 82.49215 5.191245  1618.368       158.2044 1661.412       
303.6419 1602.329       185.3503 80.67009 8.965412 84.31421 5.236170 -3.644119 
10.38249 
1 1 1 -20 -12 20 o 20.67575 6.411384  49.48798       104.1287 -0.1503831     
186.1106 72.10757       125.6333 20.75973 9.484176 20.59177 8.629819 0.1679535 
12.82277 
1 1 1 -20 -12 21 o 31.84486 7.298236  326.3366       110.0631 318.4330       
196.8911 329.9289       132.7399 30.02588 11.37040 33.66383 9.152652 -3.637949 
14.59647 
1 1 1 -20 -11 1  o 75.98599 5.272020  1218.086       166.9306 1332.471       
255.7079 1133.134       220.3660 79.02309 7.707459 72.94890 7.195265 6.074188 
10.54404 
1 1 1 -20 -11 2  f 138.8599 6.477709  4158.185       372.5707 4060.308       
571.6254 4230.472       491.2504 137.1499 9.927435 140.5699 8.323995 -3.419952 
12.95542 
1 1 1 -20 -11 3  o 54.58715 5.561193  634.6584       126.3592 656.5551       
193.0061 618.2327       167.1644 55.34994 8.305676 53.82437 7.397517 1.525566 
11.12239 
1 1 1 -20 -11 4  o 84.59598 4.663908  1494.363       154.7646 1607.050       
277.1382 1443.295       186.5654 86.66824 7.616535 82.52372 5.384846 4.144524 
9.327817 
1 1 1 -20 -11 5  o 100.5732 5.261281  2216.023       209.1677 2011.895       
352.7458 2326.721       259.7633 96.54576 8.702614 104.6006 5.915137 -8.054810 
10.52256 
1 1 1 -20 -11 6  o 52.17719 6.095561  579.2540       114.4023 640.3242       
226.4245 558.3196       132.5681 53.18990 10.51360 51.16447 6.171512 2.025429 
12.19112 
1 1 1 -20 -11 7  o 52.12790 5.830056  568.3781       106.5542 656.8260       
220.9793 541.5833       121.6280 53.85855 10.14465 50.39724 5.748414 3.461315 
11.66011 
1 1 1 -20 -11 8  f 38.50503 6.267045  313.5735       92.82099 402.7191       
171.3740 276.5646       110.4199 41.92286 9.885881 35.08720 7.705370 6.835651 
12.53409 
1 1 1 -20 -11 9  o 146.1371 4.933494  4644.601       254.4709 4552.400       
525.5181 4672.842       290.8434 144.0417 8.690016 148.2325 4.673442 -4.190796 
9.866987 
1 1 1 -20 -11 10 o 39.14166 6.480788  285.6480       96.93990 546.7536       
192.2024 196.5666       112.2650 48.76762 9.732032 29.51570 8.560959 19.25192 
12.96158 
1 1 1 -20 -11 11 o 75.93845 4.168384  1283.627       122.8831 1128.622       
212.1520 1361.887       150.7454 71.95609 7.022646 79.92081 4.492676 -7.964729 
8.336768 
1 1 1 -20 -11 12 o 31.51745 6.243432  220.8815       88.58670 319.3825       
133.2491 142.8617       118.5894 37.06388 8.702433 25.97102 8.954854 11.09286 
12.48686 
1 1 1 -20 -11 13 o 38.44372 5.867819  335.4768       91.22591 410.2795       
142.0885 283.0186       118.9891 42.06342 8.342478 34.82402 8.253985 7.239399 
11.73564 
1 1 1 -20 -11 14 o 41.66539 5.636053  393.7708       90.65070 416.6826       
159.4546 382.8295       110.1895 41.64796 9.349520 41.68282 6.296574 
-0.3485107E-01 11.27211 
1 1 1 -20 -11 15 o 47.79039 5.294366  499.8909       103.1619 599.3970       
172.4005 444.3874       128.7578 51.08480 8.038366 44.49599 6.892454 6.588814 
10.58873 
1 1 1 -20 -11 16 o 34.31770 6.296196  304.1698       94.73369 198.4981       
150.0340 374.2322       122.1668 28.78987 10.05827 39.84553 7.576249 -11.05566 
12.59239 
1 1 1 -20 -11 17 o 54.53430 4.876081  705.8516       105.0267 585.5731       
170.1173 779.9329       133.5085 49.73312 8.147491 59.33548 5.359389 -9.602364 
9.752162 
1 1 1 -20 -11 18 o 31.07533 6.752391  250.9912       95.94633 247.2891       
149.5335 253.5821       125.0917 30.68149 10.06204 31.46916 9.007466 
-0.7876644     13.50478 
1 1 1 -20 -11 19 o 29.86452 6.967832  240.9170       103.3646 190.8742       
155.4192 280.6078       138.4136 27.33157 10.15731 32.39746 9.541054 -5.065891 
13.93566 
1 1 1 -20 -11 20 o 26.19615 7.019815  180.6776       109.8107 87.16351       
193.6196 225.0199       133.3275 23.69002 10.33630 28.70228 9.501163 -5.012266 
14.03963 
1 1 1 -20 -11 21 o 44.04681 6.781503  587.5771       117.5593 448.3029       
208.7806 652.2347       142.2539 36.17765 11.88946 51.91597 6.526557 -15.73833 
13.56301 
1 1 1 -20 -11 22 o 23.10404 6.952646  133.6323       112.3304 166.5990       
199.2491 118.2725       136.0043 24.29144 10.54119 21.91664 9.068654 2.374804 
13.90529 
1 1 1 -20 -10 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -10 2  o 136.9730 6.265127  4003.751       352.5238 3925.332       
452.1394 4125.331       562.9761 135.5587 7.944489 138.3872 9.689806 -2.828506 
12.53025 
1 1 1 -20 -10 3  o 49.29791 6.358767  548.0579       125.4966 431.5625       
189.0500 639.8378       167.8018 43.80782 10.41715 54.78801 7.295116 -10.98019 
12.71753 
1 1 1 -20 -10 4  o 69.54160 5.160456  1045.424       143.5289 985.1788       
239.0388 1079.391       179.4855 67.77093 8.401293 71.31226 5.994957 -3.541336 
10.32091 
1 1 1 -20 -10 5  o 119.8968 4.585182  2897.953       202.0360 3405.105       
411.7104 2737.089       231.8747 126.0637 7.778981 113.7299 4.856236 12.33385 
9.170363 
1 1 1 -20 -10 6  o 141.0893 5.156987  4315.417       268.5367 4154.272       
517.8862 4374.677       314.0550 138.5696 8.901998 143.6091 5.208888 -5.039474 
10.31397 
1 1 1 -20 -10 7  o 50.83737 5.309759  508.6363       104.5733 683.4655       
199.3300 442.2451       122.8346 56.18652 8.450095 45.48823 6.431954 10.69828 
10.61952 
1 1 1 -20 -10 8  f 90.73085 4.196805  1823.085       145.8385 1591.738       
257.7704 1932.001       176.8674 85.98973 7.140154 95.47196 4.412583 -9.482231 
8.393610 
1 1 1 -20 -10 9  o 80.91089 4.499126  1319.460       135.2433 1594.768       
272.2770 1229.287       155.8255 85.80186 7.558494 76.01991 4.882388 9.781960 
8.998253 
1 1 1 -20 -10 10 o 76.64742 4.551735  1265.072       134.6702 1265.463       
243.6578 1264.900       161.5955 76.27026 7.609325 77.02459 4.997133 
-0.7543335     9.103470 
1 1 1 -20 -10 11 f 84.37653 4.348869  1539.261       138.9327 1524.267       
258.9752 1545.320       164.6280 83.59800 7.378759 85.15505 4.604839 -1.557053 
8.697738 
1 1 1 -20 -10 12 o 44.57835 5.739676  465.4102       97.61810 392.9727       
166.7754 503.1618       120.3976 40.90128 9.821323 48.25542 5.942824 -7.354141 
11.47935 
1 1 1 -20 -10 13 o 58.37326 4.529451  753.5961       102.1442 717.6177       
181.7379 770.2092       123.4954 56.87714 7.610775 59.86938 4.913229 -2.992245 
9.058903 
1 1 1 -20 -10 14 o 30.06595 6.677094  190.8004       89.98428 288.3774       
158.2935 144.2134       109.3758 34.55561 10.21172 25.57628 8.605528 8.979336 
13.35419 
1 1 1 -20 -10 15 o 49.12443 5.876771  409.0299       102.3512 947.0963       
229.4355 275.3487       114.3610 64.11855 8.523108 34.13030 8.093353 29.98825 
11.75354 
1 1 1 -20 -10 16 f 89.46472 3.856013  1747.139       137.9529 1794.464       
234.4934 1722.090       170.5983 89.78822 6.220601 89.14121 4.558451 0.6470108 
7.712026 
1 1 1 -20 -10 17 f 44.09543 5.611525  417.0919       97.83856 677.0779       
167.6851 282.9012       120.4705 54.21841 7.366626 33.97245 8.466974 20.24597 
11.22305 
1 1 1 -20 -10 18 o 23.87609 6.074713  91.37276       97.29442 -130.0779      
153.6966 239.4535       125.6826 17.00533 8.046321 30.74685 9.103036 -13.74152 
12.14943 
1 1 1 -20 -10 19 o 19.92183 6.128575  18.17260       93.13834 67.15877       
152.3969 -11.03298      117.6717 22.24258 9.421496 17.60106 7.840481 4.641520 
12.25715 
1 1 1 -20 -10 20 o 41.51855 6.105401  435.9474       100.8082 450.9917       
168.9287 427.6270       125.6292 40.62721 9.965929 42.40988 7.055772 -1.782665 
12.21080 
1 1 1 -20 -10 21 o 45.47755 6.820507  604.6229       121.0793 466.8272       
211.1174 672.1617       147.8029 37.95131 11.91476 53.00378 6.641974 -15.05247 
13.64101 
1 1 1 -20 -10 22 f 20.20610 6.500753  29.73416       115.7603 52.75050       
198.1031 17.80008       142.6486 21.59761 9.841125 18.81458 8.496554 2.783030 
13.00151 
1 1 1 -20 -9  1  o 88.33294 4.833555  1661.339       172.1165 1648.674       
285.8502 1668.542       215.5755 87.91204 7.744816 88.75384 5.785398 
-0.8417969     9.667110 
1 1 1 -20 -9  2  o 106.3237 8.397285  2418.885       374.8416 0.000000       
0.000000 2418.885       374.8416 ?        ?        106.3237 8.397285 ? ? 
1 1 1 -20 -9  3  o 70.43355 8.532766  1062.720       252.3181 1062.720       
252.3181 0.000000       0.000000 70.43355 8.532766 ?        ?        ? ? 
1 1 1 -20 -9  4  o 92.83189 4.445008  1891.956       155.6628 1684.628       
284.2305 1980.784       186.0441 88.82395 7.621871 96.83984 4.575966 -8.015892 
8.890017 
1 1 1 -20 -9  5  o 81.64628 4.674957  1437.069       137.8033 1382.420       
274.9980 1455.394       159.2392 80.30312 8.156771 82.98944 4.570338 -2.686325 
9.349915 
1 1 1 -20 -9  6  o 94.21313 4.243134  1952.397       153.6614 1717.726       
270.7543 2063.895       186.6290 89.62902 7.195282 98.79724 4.499408 -9.168221 
8.486269 
1 1 1 -20 -9  7  o 26.28353 7.360218  85.71774       107.2816 123.7894       
214.3328 72.99076       123.9226 29.67401 11.70165 22.89305 8.930996 6.780954 
14.72044 
1 1 1 -20 -9  8  o 40.77981 6.945540  373.9449       107.5294 377.6216       
208.7458 372.6170       125.4546 40.58194 11.64237 40.97768 7.577426 
-0.3957367     13.89108 
1 1 1 -20 -9  9  o 102.4200 4.495320  2174.259       167.5118 2401.732       
341.5554 2102.217       192.2162 105.3211 7.724441 99.51895 4.600502 5.802101 
8.990640 
1 1 1 -20 -9  10 o 133.6229 4.965831  3873.702       232.0236 3823.241       
486.3541 3888.570       264.0031 131.9991 8.776124 135.2468 4.649467 -3.247726 
9.931662 
1 1 1 -20 -9  11 o 45.82900 5.741072  442.1561       101.3551 542.4924       
183.2368 397.9237       121.6616 48.76632 9.284050 42.89169 6.756187 5.874634 
11.48214 
1 1 1 -20 -9  12 o 72.85487 4.587873  1192.338       126.1096 1046.891       
228.3343 1256.178       151.2752 68.99767 7.882387 76.71207 4.697050 -7.714394 
9.175745 
1 1 1 -20 -9  13 o 68.42182 4.081634  943.6996       109.9636 1215.357       
201.7065 828.8176       131.1702 74.71158 6.430623 62.13207 5.028522 12.57951 
8.163268 
1 1 1 -20 -9  14 o 19.58974 6.171071  -24.45574      98.25717 -87.11391      
177.6614 3.155232       117.9356 20.27033 9.263008 18.90915 8.156294 1.361181 
12.34214 
1 1 1 -20 -9  15 o 47.47379 5.705279  517.4725       97.37600 518.8760       
187.8454 516.9567       113.8703 46.25051 9.958901 48.69707 5.569662 -2.446564 
11.41056 
1 1 1 -20 -9  16 o 19.46140 5.997108  -36.93323      94.60412 83.22352       
148.2803 -119.4206      122.8579 23.61045 9.573974 15.31234 7.224972 8.298101 
11.99422 
1 1 1 -20 -9  17 o 43.64724 5.848130  469.9780       98.63734 390.3738       
164.8523 514.3694       123.1053 39.26653 9.976391 48.02795 6.105252 -8.761429 
11.69626 
1 1 1 -20 -9  18 f 29.70726 5.557224  193.2792       95.10960 -75.36356      
140.8853 418.2292       128.9202 17.51314 8.101429 41.90138 7.609061 -24.38824 
11.11445 
1 1 1 -20 -9  19 o 36.27391 6.639942  335.1077       101.9372 405.4657       
154.5536 280.9343       135.6174 39.63526 9.415038 32.91255 9.365487 6.722710 
13.27988 
1 1 1 -20 -9  20 o 48.81966 5.356656  561.7169       104.0098 777.8375       
159.4807 401.7558       137.2041 57.82981 6.568668 39.80952 8.463311 18.02029 
10.71331 
1 1 1 -20 -9  21 o 24.60557 6.449609  136.8225       97.39300 21.38486       
142.3446 238.4289       133.5451 19.73153 8.723000 29.47961 9.502584 -9.748075 
12.89922 
1 1 1 -20 -9  22 o 21.36771 6.431257  72.26685       110.3301 -125.9891      
203.5652 154.7281       131.2851 18.62037 8.948055 24.11505 9.239945 -5.494680 
12.86251 
1 1 1 -20 -9  23 o 35.96549 6.366524  432.8558       131.4259 50.70430       
210.8235 675.7671       168.0835 21.55613 9.948225 50.37484 7.947536 -28.81871 
12.73305 
1 1 1 -20 -8  1  o 83.43847 4.313407  1445.281       149.1078 1295.693       
192.7148 1668.403       235.3623 78.20229 5.869711 88.67464 6.322058 -10.47235 
8.626814 
1 1 1 -20 -8  2  o 84.73701 3.735621  1569.869       121.9148 1384.910       
214.4562 1658.184       148.1895 80.78706 6.322924 88.68698 3.979960 -7.899925 
7.471242 
1 1 1 -20 -8  3  o 64.60629 5.152357  877.6771       130.5907 921.1747       
232.4841 857.6255       157.8464 65.60090 8.441208 63.61169 5.910426 1.989208 
10.30471 
1 1 1 -20 -8  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -8  5  o 23.55451 6.791711  33.45184       113.5139 -203.9446      
213.2159 127.3548       134.0979 20.76590 9.729942 26.34311 9.478269 -5.577208 
13.58342 
1 1 1 -20 -8  6  o 50.37613 6.018045  591.3629       112.0146 463.3403       
196.2349 653.2382       136.4241 45.28767 10.51398 55.46459 5.858635 -10.17692 
12.03609 
1 1 1 -20 -8  7  o 159.3836 6.207308  5547.854       351.6029 5373.275       
716.7969 5603.169       403.4781 156.4727 10.91135 162.2944 5.921578 -5.821640 
12.41462 
1 1 1 -20 -8  8  o 49.76801 5.370296  487.6277       105.3667 671.8245       
194.1170 410.6889       125.4571 55.74526 8.294242 43.79076 6.823919 11.95450 
10.74059 
1 1 1 -20 -8  9  o 74.19270 4.316287  1097.476       124.1285 1387.708       
234.3823 984.3423       146.3351 80.34949 6.948047 68.03592 5.123081 12.31357 
8.632573 
1 1 1 -20 -8  10 o 106.8535 4.152259  2441.849       171.3181 2444.950       
310.1591 2440.488       205.5138 106.5042 6.936480 107.2028 4.566212 
-0.6986237     8.304519 
1 1 1 -20 -8  11 o 39.37653 6.575306  318.1952       101.9473 487.9954       
184.3552 243.3960       122.3586 46.05507 9.824504 32.69799 8.741722 13.35708 
13.15061 
1 1 1 -20 -8  12 o 79.13793 4.684528  1291.164       132.1306 1482.914       
279.6928 1236.075       149.9138 82.13720 8.110777 76.13866 4.689832 5.998535 
9.369057 
1 1 1 -20 -8  13 o 34.63954 6.173687  298.6219       98.63939 111.4323       
164.8891 402.9425       123.0939 26.29120 10.29269 42.98788 6.820425 -16.69668 
12.34737 
1 1 1 -20 -8  14 f 23.11929 5.825185  77.90121       88.47388 -147.9547      
150.7981 196.4544       109.2538 17.04866 8.032563 29.18991 8.438546 -12.14125 
11.65037 
1 1 1 -20 -8  15 o 32.68348 7.131734  254.4404       103.1088 239.4580       
189.4205 260.7490       122.9145 32.16600 11.29556 33.20095 8.709588 -1.034950 
14.26347 
1 1 1 -20 -8  16 o 26.10649 6.300339  155.2838       92.89200 -42.53547      
179.3178 227.8406       108.5996 21.21715 9.556847 30.99583 8.212415 -9.778673 
12.60068 
1 1 1 -20 -8  17 o 52.40292 4.598476  592.8873       99.35349 760.5780       
158.4709 484.2857       127.5302 58.30623 6.473745 46.49962 6.532578 11.80661 
9.196953 
1 1 1 -20 -8  18 o 38.75422 5.923531  337.5952       96.28894 547.6132       
154.9435 205.4560       122.9026 48.60850 7.592457 28.89994 9.094364 19.70856 
11.84706 
1 1 1 -20 -8  19 o 66.61373 4.490458  965.3611       120.9992 1178.344       
206.9612 854.7541       149.1446 71.49325 6.895170 61.73421 5.754434 9.759037 
8.980917 
1 1 1 -20 -8  20 o 27.38266 6.406446  162.4016       92.86086 315.1004       
143.8961 53.42634       121.5613 34.48862 9.593802 20.27671 8.492889 14.21190 
12.81289 
1 1 1 -20 -8  21 o 64.75721 4.647199  972.1453       119.9515 1016.068       
204.9168 949.2498       147.9480 64.80114 7.532098 64.71328 5.445487 
0.8786011E-01  9.294397 
1 1 1 -20 -8  22 o 52.18212 5.076038  643.0101       107.9152 769.8312       
180.4064 572.3468       134.6646 55.42659 7.752732 48.93766 6.554373 6.488934 
10.15208 
1 1 1 -20 -8  23 o 47.92797 6.904528  678.1435       134.6897 626.4368       
205.6566 716.9799       178.2332 44.02094 11.11815 51.83500 8.190047 -7.814064 
13.80906 
1 1 1 -20 -7  1  o 131.7587 4.712854  3662.987       258.7669 3495.987       
342.5219 3885.031       394.9571 128.3543 6.356222 135.1631 6.960059 -6.808792 
9.425709 
1 1 1 -20 -7  2  o 132.4892 4.363375  3709.645       222.4105 3755.431       
406.8399 3690.128       265.6147 132.8014 7.296962 132.1769 4.786493 0.6244202 
8.726750 
1 1 1 -20 -7  3  o 139.7636 4.054790  4007.059       217.7526 4461.841       
408.1734 3826.137       257.4479 144.9019 6.709522 134.6253 4.554952 10.27667 
8.109579 
1 1 1 -20 -7  4  o 81.26476 4.950766  1455.061       142.3670 1311.392       
287.3654 1501.794       163.8940 78.20081 8.752747 84.32870 4.629230 -6.127892 
9.901532 
1 1 1 -20 -7  5  o 95.01154 4.730673  1907.513       188.7027 0.000000       
0.000000 1907.513       188.7027 ?        ?        95.01154 4.730673 ? ? 
1 1 1 -20 -7  6  o 96.00000 8.149943  1975.765       328.4769 1975.765       
328.4769 0.000000       0.000000 96.00000 8.149943 ?        ?        ? ? 
1 1 1 -20 -7  7  o 147.6888 5.640941  4629.512       301.1209 4792.749       
610.2365 4576.972       346.2058 148.5518 9.784559 146.8257 5.616340 1.726181 
11.28188 
1 1 1 -20 -7  8  o 84.77470 4.649564  1460.973       137.9820 1673.911       
300.1288 1403.903       155.3759 88.11469 8.112980 81.43471 4.544596 6.679977 
9.299129 
1 1 1 -20 -7  9  o 42.07036 6.578778  411.6717       105.2121 345.3413       
198.6847 437.5201       124.0295 38.93810 11.41962 45.20263 6.535552 -6.264530 
13.15756 
1 1 1 -20 -7  10 o 114.9642 4.765821  2748.152       195.2582 3022.600       
409.7524 2667.522       222.0964 117.8638 8.280608 112.0647 4.720564 5.799126 
9.531642 
1 1 1 -20 -7  11 o 74.72781 4.619830  1197.654       136.2285 1214.808       
237.5797 1189.252       166.2794 74.80990 7.564345 74.64572 5.305846 0.1641769 
9.239660 
1 1 1 -20 -7  12 o 50.02526 5.849773  537.7086       111.0150 611.0966       
202.7453 506.2834       132.6714 51.63120 9.710011 48.41932 6.526490 3.211880 
11.69955 
1 1 1 -20 -7  13 o 31.43479 6.848012  224.6283       98.89106 230.5733       
147.2392 219.7426       133.4775 31.81813 9.942508 31.05145 9.419535 0.7666740 
13.69602 
1 1 1 -20 -7  14 o 67.16077 4.284000  1008.717       114.9281 865.3288       
185.8289 1097.535       146.2535 62.78834 7.049450 71.53320 4.869895 -8.744862 
8.568001 
1 1 1 -20 -7  15 o 72.15308 4.504767  1157.574       122.4142 1099.754       
226.9472 1181.300       145.3759 70.16048 7.704658 74.14567 4.670115 -3.985191 
9.009535 
1 1 1 -20 -7  16 o 49.31783 5.906407  581.3176       104.2175 519.1473       
196.4940 605.6522       122.9332 45.94213 10.42417 52.69354 5.556904 -6.751415 
11.81281 
1 1 1 -20 -7  17 o 17.42220 5.629609  -70.71551      93.98961 -138.7169      
138.6830 -12.94734      127.8229 16.08272 7.625553 18.76168 8.283775 -2.678961 
11.25922 
1 1 1 -20 -7  18 o 22.25059 6.428817  67.15893       95.55804 109.1595       
140.9989 31.48038       129.9546 24.15668 9.502055 20.34449 8.661968 3.812199 
12.85763 
1 1 1 -20 -7  19 o 35.33584 6.458891  318.7848       96.60545 284.3340       
146.8867 345.0457       128.2445 33.19294 9.843836 37.47874 8.364689 -4.285801 
12.91778 
1 1 1 -20 -7  20 o 23.06218 6.494852  102.9114       94.32809 91.85094       
143.0347 111.4238       125.4822 22.93335 9.367164 23.19101 8.999370 
-0.2576618     12.98970 
1 1 1 -20 -7  21 o 37.85557 6.389627  410.5758       110.9940 188.4030       
177.8872 552.2167       142.0345 27.35259 10.69426 48.35855 6.995866 -21.00596 
12.77925 
1 1 1 -20 -7  22 o 48.53979 5.278060  560.3558       104.7668 651.6501       
172.6406 507.1363       131.8125 51.00560 8.062061 46.07397 6.814311 4.931625 
10.55612 
1 1 1 -20 -7  23 o 18.93374 6.015256  10.06770       102.9553 -90.80943      
166.6542 72.32966       130.9276 17.48801 8.323726 20.37947 8.686127 -2.891460 
12.03051 
1 1 1 -20 -7  24 o 24.66125 6.706814  175.0520       102.4531 96.56333       
146.3361 250.5141       143.4869 21.24279 9.122530 28.07972 9.833862 -6.836937 
13.41363 
1 1 1 -20 -6  1  o 30.72966 7.131016  186.5930       110.1083 106.2811       
152.5115 274.0297       159.1328 26.22496 9.984876 35.23436 10.18370 -9.009403 
14.26203 
1 1 1 -20 -6  2  o 85.40163 3.716945  1490.963       123.8341 1681.422       
226.4809 1409.740       147.9006 89.05850 6.057274 81.74477 4.309541 7.313736 
7.433889 
1 1 1 -20 -6  3  o 96.69070 3.683187  1931.389       137.5438 2093.525       
254.0469 1864.154       163.5949 99.36504 6.089777 94.01637 4.144645 5.348663 
7.366374 
1 1 1 -20 -6  4  o 83.88555 3.636064  1536.743       122.0008 1307.915       
196.9579 1679.201       155.4041 78.54545 5.972736 89.22565 4.148526 -10.68021 
7.272128 
1 1 1 -20 -6  5  o 58.30001 4.350137  736.2586       102.9900 655.1487       
162.7500 790.4333       133.0094 55.47440 6.987947 61.12563 5.182988 -5.651237 
8.700274 
1 1 1 -20 -6  6  o 100.0404 5.039938  2164.011       185.4878 2070.125       
359.2117 2198.147       216.5996 98.15501 8.716840 101.9258 5.061680 -3.770767 
10.07988 
1 1 1 -20 -6  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -6  8  o 70.15105 4.673870  972.0330       122.9561 1230.501       
246.1333 886.0831       141.9349 75.67776 7.746815 64.62434 5.231356 11.05342 
9.347739 
1 1 1 -20 -6  9  o 67.29828 4.632761  923.9503       122.8800 1100.646       
222.4182 846.3251       147.4210 71.53712 7.405596 63.05944 5.568397 8.477673 
9.265522 
1 1 1 -20 -6  10 o 109.8575 4.833332  2614.098       189.9391 2552.794       
384.9129 2633.831       218.3789 108.3184 8.464112 111.3965 4.669389 -3.078163 
9.666664 
1 1 1 -20 -6  11 o 75.31824 4.767666  1199.371       134.1563 1271.424       
259.9449 1173.211       156.6275 76.40955 8.103166 74.22694 5.026059 2.182617 
9.535332 
1 1 1 -20 -6  12 o 59.68057 5.555306  840.8778       118.5542 657.5847       
213.1203 923.0137       142.6652 53.61396 9.835275 65.74718 5.168469 -12.13322 
11.11061 
1 1 1 -20 -6  13 o 86.46841 3.923412  1679.433       134.5182 1327.281       
214.8439 1906.504       172.5199 78.29229 6.536196 94.64453 4.341748 -16.35224 
7.846824 
1 1 1 -20 -6  14 o 57.00053 4.846797  709.9824       111.8677 708.4482       
183.7028 710.8867       141.0332 56.65157 7.723692 57.34950 5.857506 
-0.6979332     9.693595 
1 1 1 -20 -6  15 f 68.47620 4.657028  906.8586       115.8524 1286.806       
248.2615 801.0847       130.9897 75.98524 7.782179 60.96717 5.117549 15.01806 
9.314055 
1 1 1 -20 -6  16 o 27.95374 7.040155  170.6350       96.59861 131.5448       
197.9862 182.8478       110.6645 27.84497 11.15667 28.06251 8.589758 
-0.2175350     14.08031 
1 1 1 -20 -6  17 o 68.35525 4.404499  1023.973       119.7053 1065.819       
206.4188 1002.769       146.9359 68.84436 7.141704 67.86613 5.156984 0.9782257 
8.808997 
1 1 1 -20 -6  18 o 20.53274 6.353560  -3.537213      102.5662 56.49004       
162.5552 -43.24174      132.2047 23.07436 9.749946 17.99112 8.149201 5.083242 
12.70712 
1 1 1 -20 -6  19 o 59.51067 4.671449  800.5226       115.6729 828.3331       
176.6926 779.6644       153.0212 60.13879 6.998172 58.88254 6.189937 1.256248 
9.342897 
1 1 1 -20 -6  20 o 44.32234 5.835898  495.1721       102.8793 372.9667       
155.6173 590.0508       137.1188 37.81258 9.744173 50.83209 6.425102 -13.01951 
11.67180 
1 1 1 -20 -6  21 o 18.53165 5.872129  -16.33880      96.19540 -160.9312      
174.7746 46.49957       115.2174 17.45980 8.366216 19.60350 8.242211 -2.143705 
11.74426 
1 1 1 -20 -6  22 o 18.31075 5.857436  -20.89187      95.64503 14.49362       
147.6286 -46.48888      125.5603 19.84671 8.814618 16.77479 7.716263 3.071924 
11.71487 
1 1 1 -20 -6  23 o 18.36192 5.857673  -13.20189      100.4093 -148.3662      
167.6406 62.41566       125.3890 16.67715 8.040014 20.04669 8.521003 -3.369541 
11.71535 
1 1 1 -20 -6  24 o 21.66502 6.269835  112.3902       91.75499 144.9175       
127.3458 77.27262       132.3194 23.06142 9.041856 20.26861 8.688395 2.792810 
12.53967 
1 1 1 -20 -5  1  o 111.2371 4.776182  2499.528       211.4728 3038.884       
376.2829 2250.526       255.6693 119.4157 7.505406 103.0586 5.909020 16.35712 
9.552363 
1 1 1 -20 -5  2  o 43.71971 5.927600  478.7504       98.68815 248.2303       
165.0619 606.9981       123.1168 33.88179 10.51502 53.55764 5.475415 -19.67585 
11.85520 
1 1 1 -20 -5  3  o 104.3804 3.428259  2330.029       145.7305 2178.089       
232.3825 2428.515       187.0914 101.4530 5.455813 107.3078 4.152824 -5.854752 
6.856518 
1 1 1 -20 -5  4  o 62.93376 4.270975  790.0335       107.9088 1013.793       
189.3564 682.4183       131.3185 69.08866 6.528213 56.77887 5.508842 12.30980 
8.541949 
1 1 1 -20 -5  5  o 72.85414 4.075458  1130.206       120.0644 1104.176       
197.2164 1145.535       151.3429 72.08884 6.516224 73.61945 4.896554 -1.530617 
8.150915 
1 1 1 -20 -5  6  o 38.96255 5.947067  388.8737       97.34274 131.9135       
163.1586 530.8882       121.2951 27.88866 10.39861 50.03644 5.774016 -22.14778 
11.89413 
1 1 1 -20 -5  7  o 121.5081 4.897690  3061.011       198.4525 3296.962       
454.5376 3005.440       220.5875 123.7483 8.748860 119.2679 4.405329 4.480431 
9.795381 
1 1 1 -20 -5  8  o 55.44025 5.870146  653.6384       136.6322 0.000000       
0.000000 653.6384       136.6322 ?        ?        55.44025 5.870146 ? ? 
1 1 1 -20 -5  9  o 103.2604 4.806569  2034.896       164.9736 2712.397       
397.6034 1894.002       181.3179 111.9577 8.458961 94.56309 4.567097 17.39466 
9.613137 
1 1 1 -20 -5  10 o 158.6451 5.718690  5534.211       343.4121 5253.903       
632.6499 5651.305       408.8960 154.6384 9.744672 162.6518 5.987907 -8.013412 
11.43738 
1 1 1 -20 -5  11 o 154.8416 6.507656  5443.740       355.6743 4918.957       
715.4468 5616.013       409.9176 147.7383 11.53467 161.9449 6.029071 -14.20654 
13.01531 
1 1 1 -20 -5  12 o 58.50011 4.965782  650.0865       111.5046 982.5235       
218.9468 533.6705       129.5658 67.16895 7.764099 49.83126 6.193119 17.33769 
9.931563 
1 1 1 -20 -5  13 o 18.90453 6.006822  -57.66836      96.48297 -17.61169      
157.1653 -81.89436      122.2250 21.20621 9.282010 16.60285 7.627052 4.603365 
12.01364 
1 1 1 -20 -5  14 o 127.5570 4.083117  3540.282       212.1639 3369.579       
339.2255 3649.959       271.9091 124.5638 6.486609 130.5502 4.960978 -5.986366 
8.166235 
1 1 1 -20 -5  15 o 78.76617 4.975556  1358.518       139.5027 1375.166       
286.0107 1353.321       159.8003 78.11680 8.720854 79.41554 4.792842 -1.298744 
9.951112 
1 1 1 -20 -5  16 o 128.5646 4.767815  3694.538       225.8284 3544.184       
433.7669 3750.444       264.5019 125.1677 8.254395 131.9615 4.774221 -6.793839 
9.535630 
1 1 1 -20 -5  17 o 42.83456 6.037400  414.3652       102.6962 540.0402       
167.8975 339.2406       129.8109 47.83150 8.680722 37.83761 8.393204 9.993896 
12.07480 
1 1 1 -20 -5  18 o 48.70886 5.521544  592.4338       101.3414 391.2641       
158.8543 730.4946       131.5991 39.72947 9.613841 57.68825 5.433587 -17.95878 
11.04309 
1 1 1 -20 -5  19 o 30.94852 6.726758  228.0863       94.81558 306.2549       
152.2790 178.5941       121.1693 34.61947 9.947713 27.27757 9.057599 7.341900 
13.45352 
1 1 1 -20 -5  20 o 34.23203 6.900990  311.7957       104.1501 259.8585       
174.4608 340.5549       129.8218 31.41901 10.85865 37.04505 8.519641 -5.626040 
13.80198 
1 1 1 -20 -5  21 o 21.07707 6.026431  50.21209       93.61752 -104.1525      
149.4153 149.9775       120.1189 17.12063 8.045753 25.03351 8.974260 -7.912882 
12.05286 
1 1 1 -20 -5  22 o 50.95107 6.001577  685.3911       116.1908 518.0279       
186.2156 792.0904       148.6848 43.24445 10.37417 58.65767 6.037580 -15.41322 
12.00315 
1 1 1 -20 -5  23 f 28.99531 6.567163  236.3589       91.89602 196.1311       
142.7019 264.8613       120.1178 26.72523 9.761548 31.26539 8.787643 -4.540155 
13.13433 
1 1 1 -20 -5  24 o 22.25191 6.358463  115.4016       95.33891 47.14494       
137.4987 178.6041       132.3101 19.55137 8.617290 24.95245 9.352139 -5.401081 
12.71693 
1 1 1 -20 -4  1  o 91.93635 4.518976  1804.964       172.4295 1711.392       
260.4353 1877.994       230.0803 89.71631 6.914320 94.15639 5.820373 -4.440079 
9.037951 
1 1 1 -20 -4  2  o 172.0178 5.424407  6338.544       336.9125 6252.202       
676.3848 6367.035       388.5442 170.5414 9.446805 173.4942 5.334290 -2.952713 
10.84881 
1 1 1 -20 -4  3  o 247.7979 7.056142  13212.68       641.0679 13286.86       
1261.703 13186.86       744.3030 246.6659 12.18341 248.9299 7.121867 -2.263931 
14.11228 
1 1 1 -20 -4  4  o 69.79776 4.015646  1026.964       113.7973 1050.576       
187.3030 1013.149       143.2717 70.35476 6.341213 69.24076 4.928555 1.113998 
8.031291 
1 1 1 -20 -4  5  o 73.55417 3.789167  1152.603       112.9786 1114.905       
184.0245 1175.407       143.1271 72.50104 6.045784 74.60731 4.569425 -2.106270 
7.578333 
1 1 1 -20 -4  6  o 27.72829 6.803788  147.4587       94.48744 167.7748       
154.8599 135.4098       119.2590 29.28983 10.22011 26.16676 8.984183 3.123075 
13.60758 
1 1 1 -20 -4  7  o 136.6914 4.796170  4021.744       256.2500 3867.709       
449.2835 4096.011       311.9675 134.3462 7.965557 139.0366 5.344427 -4.690445 
9.592340 
1 1 1 -20 -4  8  o 64.10869 4.223925  855.1878       106.2894 927.6725       
190.4814 822.4135       128.0844 65.90116 6.884630 62.31622 4.895717 3.584946 
8.447850 
1 1 1 -20 -4  9  o 60.23000 5.183782  804.9377       117.5636 716.2937       
214.8173 842.8388       140.4660 57.46686 8.903749 62.99315 5.311276 -5.526295 
10.36756 
1 1 1 -20 -4  10 o 208.7319 11.32491  9706.962       992.4362 9706.962       
992.4362 0.000000       0.000000 208.7319 11.32491 ?        ?        ? ? 
1 1 1 -20 -4  11 o 155.8278 5.038767  5332.773       308.7328 4945.531       
528.8985 5532.918       380.2366 150.6747 8.360904 160.9810 5.626009 -10.30630 
10.07753 
1 1 1 -20 -4  12 o 94.14978 4.474118  1850.903       155.1549 2022.203       
309.6178 1793.461       179.2912 96.46447 7.645038 91.83508 4.650197 4.629387 
8.948236 
1 1 1 -20 -4  13 o 48.74854 5.365394  497.2414       105.1696 593.1354       
182.1794 449.3105       128.7987 51.93239 8.355685 45.56469 6.732929 6.367702 
10.73079 
1 1 1 -20 -4  14 o 56.22834 5.029304  700.4346       111.1277 658.4225       
191.0075 721.9318       136.6324 54.52892 8.343427 57.92776 5.618080 -3.398838 
10.05861 
1 1 1 -20 -4  15 o 85.51085 4.465254  1604.986       145.6646 1557.147       
266.2920 1625.413       174.0058 83.93574 7.556701 87.08596 4.759228 -3.150223 
8.930509 
1 1 1 -20 -4  16 o 87.54286 4.405312  1613.663       139.0575 1804.827       
287.2019 1555.125       158.9286 89.92787 7.607013 85.15784 4.445274 4.770027 
8.810624 
1 1 1 -20 -4  17 o 60.51889 6.148524  956.2943       125.1357 623.1823       
229.6340 1096.995       149.2414 49.87094 11.23689 71.16685 4.994968 -21.29591 
12.29705 
1 1 1 -20 -4  18 o 69.86954 4.382917  1111.785       123.6931 948.0654       
193.8586 1224.208       160.6428 64.80804 7.124876 74.93104 5.106467 -10.12300 
8.765835 
1 1 1 -20 -4  19 o 21.30497 6.359041  43.39059       96.81898 61.58534       
147.0458 29.46601       128.6385 22.42432 9.363296 20.18562 8.606875 2.238697 
12.71808 
1 1 1 -20 -4  20 o 34.98037 6.940382  313.4859       104.8790 335.5664       
163.5954 298.0788       136.6560 35.70806 10.32710 34.25269 9.275059 1.455372 
13.88076 
1 1 1 -20 -4  21 o 61.18784 4.606954  832.9286       114.6126 974.6055       
192.2934 754.8657       142.7372 64.60421 7.089648 57.77146 5.884979 6.832752 
9.213907 
1 1 1 -20 -4  22 o 19.87793 5.644467  20.27096       86.37183 -157.0238      
131.1385 156.1040       114.7850 14.65757 7.077352 25.09830 8.794950 -10.44073 
11.28893 
1 1 1 -20 -4  23 o 21.38148 5.946289  49.34210       94.91434 -147.4122      
144.4109 198.9741       125.9361 15.56711 7.494388 27.19585 9.234044 -11.62873 
11.89258 
1 1 1 -20 -4  24 o 18.38450 5.800494  17.93646       90.86911 21.57961       
136.8932 15.06672       121.4968 18.85966 8.427316 17.90935 7.972659 0.9503117 
11.60099 
1 1 1 -20 -4  25 f 31.71704 6.765364  308.1400       97.84116 349.7001       
142.7327 271.3011       134.3812 33.79870 9.604961 29.63539 9.530231 4.163315 
13.53073 
1 1 1 -20 -3  1  o 49.60680 6.505901  529.9221       130.3534 899.7162       
198.9517 251.7629       172.5497 65.00434 7.289979 34.20925 10.77790 30.79509 
13.01180 
1 1 1 -20 -3  2  o 118.7555 4.445052  3069.738       208.1630 2752.413       
351.9256 3240.506       258.1684 113.6763 7.373982 123.8346 4.965717 -10.15835 
8.890104 
1 1 1 -20 -3  3  o 82.19617 4.182519  1457.139       138.0831 1339.221       
226.3588 1527.026       174.2623 79.37715 6.792394 85.01518 4.882340 -5.638031 
8.365038 
1 1 1 -20 -3  4  o 123.9287 4.617920  3270.052       220.1508 3241.300       
400.5602 3282.495       263.5201 123.2451 7.741392 124.6123 5.037022 -1.367180 
9.235840 
1 1 1 -20 -3  5  o 113.3231 3.981493  2816.037       175.4710 2451.050       
301.9583 3002.131       215.6128 107.3722 6.698477 119.2740 4.305758 -11.90181 
7.962986 
1 1 1 -20 -3  6  o 29.44930 6.714358  157.5786       97.07938 282.9748       
155.6401 77.72523       124.2012 35.66035 9.996535 23.23824 8.966589 12.42210 
13.42872 
1 1 1 -20 -3  7  o 64.64462 4.324303  819.8923       110.4512 1096.005       
202.0184 702.1647       131.9129 71.73277 6.708023 57.55649 5.459013 14.17628 
8.648606 
1 1 1 -20 -3  8  o 23.24038 6.451098  56.56236       87.83877 126.5147       
153.8071 22.70452       107.0053 27.12229 10.09952 19.35847 8.029088 7.763819 
12.90220 
1 1 1 -20 -3  9  o 82.72084 3.837180  1449.569       116.9659 1462.911       
229.2469 1444.873       135.9998 82.73925 6.599529 82.70242 3.916887 
0.3682709E-01  7.674359 
1 1 1 -20 -3  10 o 134.5614 5.238229  3857.745       259.5525 3985.574       
511.0846 3813.319       301.2981 135.2424 9.001212 133.8803 5.360443 1.362061 
10.47646 
1 1 1 -20 -3  11 o 26.22011 9.477385  129.7529       134.2081 0.000000       
0.000000 129.7529       134.2081 ?        ?        26.22011 9.477385 ? ? 
1 1 1 -20 -3  12 o 123.1192 5.551300  3149.101       224.5854 3545.967       
527.6292 3061.287       248.1915 126.3340 9.947862 119.9045 4.930292 6.429512 
11.10260 
1 1 1 -20 -3  13 o 86.92657 5.141712  1589.477       158.5338 1743.467       
334.0687 1544.719       180.1058 88.78845 8.961905 85.06470 5.043121 3.723747 
10.28342 
1 1 1 -20 -3  14 o 43.78502 5.915916  422.5007       101.4346 489.5728       
170.4357 385.7135       126.2228 46.17123 9.116979 41.39882 7.541415 4.772408 
11.83183 
1 1 1 -20 -3  15 o 62.13417 4.297457  821.7377       107.6171 893.0150       
182.3871 783.6677       133.2938 63.91273 6.797164 60.35561 5.260333 3.557125 
8.594913 
1 1 1 -20 -3  16 o 110.4471 4.449208  2686.713       176.7779 2625.760       
354.1381 2706.941       204.0139 108.4379 7.778798 112.4564 4.321125 -4.018433 
8.898417 
1 1 1 -20 -3  17 o 65.52744 5.308994  944.7789       122.8473 999.5080       
256.5695 928.4998       139.9300 65.58488 9.317993 65.46999 5.090841 0.1148834 
10.61799 
1 1 1 -20 -3  18 o 21.11333 6.415517  21.36855       97.70185 48.65823       
167.0536 7.181179       120.4502 23.22482 9.852191 19.00183 8.220084 4.222988 
12.83103 
1 1 1 -20 -3  19 o 55.19306 4.978309  711.2192       110.5951 598.2878       
173.2155 788.9410       143.6980 50.68169 8.140607 59.70444 5.732778 -9.022747 
9.956617 
1 1 1 -20 -3  20 o 27.93867 7.110730  186.9174       104.8053 179.0752       
173.1905 191.4485       131.6458 27.90439 10.63562 27.97296 9.441051 
-0.6856346E-01 14.22146 
1 1 1 -20 -3  21 o 66.17673 3.929844  973.1400       108.7404 872.1367       
146.8779 1095.650       161.7615 62.36743 5.609442 69.98603 5.505348 -7.618599 
7.859688 
1 1 1 -20 -3  22 o 22.07594 6.364964  86.35151       94.11668 41.84455       
148.6223 116.1490       121.6074 21.06004 9.120959 23.09184 8.880269 -2.031799 
12.72993 
1 1 1 -20 -3  23 o 19.96387 6.075922  41.74261       93.11835 7.432609       
138.5073 70.04052       125.7881 19.12323 8.512786 20.80452 8.671782 -1.681292 
12.15184 
1 1 1 -20 -3  24 o 28.67090 6.582167  238.9404       102.2443 98.89127       
157.3181 341.3573       134.5316 22.37373 9.528296 34.96807 9.083570 -12.59435 
13.16433 
1 1 1 -20 -3  25 o 46.17898 5.997074  586.1754       112.6309 575.1754       
169.0957 594.9474       151.0035 44.50816 9.346584 47.84980 7.516710 -3.341648 
11.99415 
1 1 1 -20 -2  1  o 47.93314 5.036282  456.8360       95.77750 588.9807       
172.9317 398.3659       115.0316 52.53620 7.840379 43.33008 6.323370 9.206123 
10.07256 
1 1 1 -20 -2  2  f 33.40618 6.781526  235.6848       97.21593 291.3347       
162.2247 204.5010       121.4366 36.23347 10.22157 30.57889 8.914926 5.654583 
13.56305 
1 1 1 -20 -2  3  o 198.0080 6.132940  8406.213       445.2248 8382.615       
875.4170 8414.446       517.0952 196.8413 10.59302 199.1747 6.183827 -2.333450 
12.26588 
1 1 1 -20 -2  4  o 183.0229 5.525921  7040.379       368.3185 7376.371       
741.1011 6930.168       424.4487 185.1318 9.534929 180.9139 5.588232 4.217941 
11.05184 
1 1 1 -20 -2  5  o 27.54578 6.830406  145.0012       95.73803 147.5530       
156.1682 143.4648       121.1800 28.35601 10.22597 26.73555 9.057999 1.620462 
13.66081 
1 1 1 -20 -2  6  f 158.5332 4.041051  5179.201       250.2258 5732.728       
454.7371 4938.810       299.6751 164.1817 6.597154 152.8847 4.668827 11.29704 
8.082103 
1 1 1 -20 -2  7  f 49.00882 5.641579  602.2068       100.4023 305.9737       
161.4415 789.0465       128.2133 36.95773 10.11409 61.05991 5.001472 -24.10219 
11.28316 
1 1 1 -20 -2  8  o 127.1971 3.668863  3387.266       172.0521 3519.271       
339.5130 3341.652       199.5764 128.5523 6.290682 125.8419 3.777504 2.710403 
7.337726 
1 1 1 -20 -2  9  o 101.5049 3.522095  2233.041       141.2013 2036.054       
239.1996 2338.395       174.9320 97.80447 5.825361 105.2052 3.960527 -7.400749 
7.044189 
1 1 1 -20 -2  10 o 56.30132 4.394059  686.2841       90.44521 658.7324       
176.9046 696.0345       105.2395 55.27490 7.623111 57.32774 4.372551 -2.052841 
8.788118 
1 1 1 -20 -2  11 o 28.00412 6.250384  174.2644       79.56676 123.2719       
149.8855 194.2726       93.88789 26.58091 9.955614 29.42734 7.560090 -2.846434 
12.50077 
1 1 1 -20 -2  12 o 77.48251 4.606792  1296.529       137.4364 1278.026       
248.8449 1304.650       164.8615 76.70217 7.727557 78.26286 5.017469 -1.560684 
9.213584 
1 1 1 -20 -2  13 o 72.67866 7.196108  1146.497       219.5753 1146.497       
219.5753 0.000000       0.000000 72.67866 7.196108 ?        ?        ? ? 
1 1 1 -20 -2  14 o 28.14170 6.732882  135.1954       98.35498 282.7597       
159.8286 45.25446       124.7792 34.91879 10.24274 21.36460 8.741457 13.55418 
13.46576 
1 1 1 -20 -2  15 o 21.72288 6.378133  39.62801       96.26047 -20.52913      
154.6039 77.71288       123.0135 20.79046 9.152230 22.65531 8.885889 -1.864853 
12.75627 
1 1 1 -20 -2  16 o 27.56914 7.496091  112.2408       105.0013 233.2527       
223.3123 77.89269       118.9736 32.82329 12.17994 22.31498 8.741541 10.50831 
14.99218 
1 1 1 -20 -2  17 o 33.75982 6.965775  204.7561       102.3148 477.9090       
196.7485 103.5068       119.7857 43.98776 10.73367 23.53189 8.881247 20.45587 
13.93155 
1 1 1 -20 -2  18 o 33.39188 6.757350  288.3849       104.1377 163.2062       
178.5285 352.9433       128.2091 28.13646 10.77665 38.64730 8.155424 -10.51084 
13.51470 
1 1 1 -20 -2  19 o 23.13495 6.460420  86.54984       96.86230 3.980109       
150.4715 144.9760       126.5749 20.66451 9.063261 25.60539 9.208985 -4.940889 
12.92084 
1 1 1 -20 -2  20 o 27.87257 6.930774  186.0903       103.5688 120.7919       
156.0545 237.4920       138.4565 25.04193 9.950028 30.70321 9.650878 -5.661282 
13.86155 
1 1 1 -20 -2  21 o 64.39433 4.320478  932.2362       115.4222 982.5430       
179.0507 896.4669       150.9792 65.55664 6.505495 63.23201 5.687237 2.324631 
8.640956 
1 1 1 -20 -2  22 o 35.61141 5.997417  342.9823       101.7807 122.6421       
154.3528 512.4951       135.3845 24.40280 9.820340 46.82002 6.887449 -22.41722 
11.99483 
1 1 1 -20 -2  23 o 34.83124 6.426134  329.4100       96.04194 273.0571       
145.8188 372.5863       127.6374 31.39369 9.910657 38.26878 8.182889 -6.875090 
12.85227 
1 1 1 -20 -2  24 f 38.67292 6.485930  392.1609       101.4794 511.6433       
167.2039 322.4834       127.6852 42.91026 9.531782 34.43559 8.798540 8.474667 
12.97186 
1 1 1 -20 -2  25 o 17.33528 5.639510  -21.57005      95.67355 -62.02236      
137.6770 16.20741       133.0473 16.40044 7.711938 18.27012 8.230571 -1.869688 
11.27902 
1 1 1 -20 -1  1  o 70.34256 3.871366  1044.779       110.9080 1056.694       
180.6523 1037.572       140.5037 70.59602 6.095150 70.08910 4.774835 0.5069199 
7.742733 
1 1 1 -20 -1  2  o 88.65982 3.958956  1650.362       140.0532 1708.367       
240.4312 1620.572       172.3044 89.71687 6.383190 87.60278 4.684892 2.114098 
7.917912 
1 1 1 -20 -1  3  o 23.20899 6.554053  60.89265       96.32854 12.88626       
155.7025 90.66125       122.6099 22.56886 9.539573 23.84912 8.989939 -1.280262 
13.10811 
1 1 1 -20 -1  4  o 46.97786 5.467396  456.1796       103.1599 574.2233       
171.5670 389.3355       129.1052 51.85188 7.881162 42.10384 7.580036 9.748035 
10.93479 
1 1 1 -20 -1  5  o 102.2679 3.592814  2256.098       149.2177 2018.711       
236.3115 2413.515       192.4345 97.59458 5.767401 106.9413 4.286064 -9.346710 
7.185628 
1 1 1 -20 -1  6  o 43.63794 6.039215  403.5382       103.7881 504.6509       
173.1148 346.8004       129.6784 47.71614 8.971334 39.55974 8.087251 8.156403 
12.07843 
1 1 1 -20 -1  7  o 119.8606 4.443099  3136.350       193.7978 2889.425       
377.8640 3224.484       225.7500 116.1707 7.747468 123.5505 4.352155 -7.379753 
8.886198 
1 1 1 -20 -1  8  o 64.46432 4.080637  866.7415       104.0421 931.8394       
183.3635 835.8315       126.3511 66.09416 6.608013 62.83449 4.789630 3.259670 
8.161274 
1 1 1 -20 -1  9  o 54.11179 4.693858  637.6143       95.68742 598.4077       
177.5093 653.6735       113.6066 52.69336 8.023915 55.53021 4.872986 -2.836857 
9.387716 
1 1 1 -20 -1  10 o 121.5459 4.197599  3030.712       164.3206 3346.817       
396.0030 2964.964       180.6028 124.6101 7.569488 118.4818 3.630731 6.128296 
8.395199 
1 1 1 -20 -1  11 o 49.12081 5.280219  572.3505       88.60839 446.3008       
171.9666 617.9133       103.3900 44.28076 9.523399 53.96086 4.563737 -9.680096 
10.56044 
1 1 1 -20 -1  12 o 37.16918 5.701284  309.7583       78.07880 297.1021       
154.6998 314.0842       90.44350 36.00779 9.921277 38.33057 5.620218 -2.322788 
11.40257 
1 1 1 -20 -1  13 o 26.87733 7.200034  126.9846       106.4233 104.6743       
192.8617 136.7522       127.6106 27.56238 11.02469 26.19229 9.263813 1.370089 
14.40007 
1 1 1 -20 -1  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 -1  15 o 53.66986 5.064034  633.6910       112.1262 617.7366       
174.0268 645.0150       146.6145 52.86430 7.841060 54.47542 6.410579 -1.611115 
10.12807 
1 1 1 -20 -1  16 o 39.50926 6.931412  370.1608       107.2181 366.6737       
199.2561 371.5820       127.2035 38.73947 11.45990 40.27905 7.800549 -1.539577 
13.86282 
1 1 1 -20 -1  17 o 42.07208 6.447028  449.7343       105.3115 320.4500       
188.8621 508.0714       126.8656 36.05475 11.25930 48.08941 6.283703 -12.03465 
12.89406 
1 1 1 -20 -1  18 o 82.33746 3.933754  1511.083       133.1008 1236.316       
195.2086 1749.808       181.9553 74.79249 6.216731 89.88242 4.821819 -15.08994 
7.867508 
1 1 1 -20 -1  19 o 33.08572 6.590085  264.8189       92.51007 288.9076       
155.7059 251.6765       115.0098 33.89884 10.15178 32.27261 8.405847 1.626225 
13.18017 
1 1 1 -20 -1  20 o 54.37947 4.857872  650.3667       108.1703 783.1688       
178.5485 573.3602       135.9619 58.34290 7.289359 50.41603 6.423469 7.926865 
9.715745 
1 1 1 -20 -1  21 o 35.03842 6.846285  318.0001       103.7557 326.1908       
154.3534 311.2484       140.1396 35.26189 9.977922 34.81495 9.376967 0.4469376 
13.69257 
1 1 1 -20 -1  22 o 32.57851 7.157969  285.1715       106.5160 287.4549       
174.7716 283.8222       134.3511 32.23322 10.87808 32.92381 9.306634 
-0.6905899     14.31594 
1 1 1 -20 -1  23 o 42.67493 5.976696  497.2307       101.0269 318.0788       
160.1221 615.7133       130.2171 33.61277 10.34137 51.73708 5.994973 -18.12431 
11.95339 
1 1 1 -20 -1  24 o 43.54554 6.157764  508.3928       106.1614 454.5677       
172.9587 540.9293       134.4727 39.62786 10.30203 47.46323 6.748357 -7.835365 
12.31553 
1 1 1 -20 -1  25 o 22.12873 6.443656  92.50832       107.7276 -56.18766      
161.9385 210.5510       144.2847 17.82345 8.376070 26.43401 9.794093 -8.610561 
12.88731 
1 1 1 -20 0   1  o 60.45872 4.545594  772.2378       111.1636 789.7719       
184.5734 762.2575       139.2522 60.90693 7.218108 60.01050 5.527080 0.8964348 
9.091187 
1 1 1 -20 0   2  o 56.90859 4.867249  721.3520       109.8966 567.2652       
175.2870 821.1437       141.0635 51.52152 8.103680 62.29566 5.393589 -10.77414 
9.734497 
1 1 1 -20 0   3  o 43.13078 6.161027  447.0065       105.7987 258.5838       
168.8824 568.7228       135.7351 34.49152 10.62227 51.77003 6.245032 -17.27852 
12.32205 
1 1 1 -20 0   4  o 104.9921 3.385916  2353.929       146.7251 2176.549       
224.2652 2486.676       194.0089 101.4255 5.266668 108.5587 4.256748 -7.133255 
6.771832 
1 1 1 -20 0   5  o 142.6952 4.514900  4265.840       240.9362 4459.596       
465.4876 4194.936       281.5915 144.4992 7.672973 140.8912 4.760545 3.607971 
9.029800 
1 1 1 -20 0   6  o 37.56784 6.554648  302.7402       101.7279 398.7975       
162.4162 240.7299       130.4957 42.20643 9.408842 32.92926 9.128380 9.277172 
13.10930 
1 1 1 -20 0   7  o 67.37536 4.108316  1049.767       100.5940 782.1502       
184.3625 1163.215       120.0369 60.49872 7.258510 74.25199 3.850594 -13.75327 
8.216632 
1 1 1 -20 0   8  o 101.6799 4.111194  2144.701       156.7697 2318.118       
303.8751 2081.805       183.0038 104.1367 6.950440 99.22318 4.393068 4.913528 
8.222387 
1 1 1 -20 0   9  f 127.9696 3.806449  3376.341       170.7659 3670.817       
366.5855 3294.732       192.9830 131.0149 6.664626 124.9244 3.679534 6.090469 
7.612898 
1 1 1 -20 0   10 o 103.5450 3.399541  2230.885       128.5718 2366.406       
258.5858 2186.380       148.1875 105.3239 5.847881 101.7661 3.468402 3.557838 
6.799083 
1 1 1 -20 0   11 o 86.05136 3.804154  1558.577       114.6146 1614.247       
243.4646 1542.727       129.9105 86.67132 6.690854 85.43141 3.621994 1.239906 
7.608309 
1 1 1 -20 0   12 o 35.70446 5.805206  299.9175       77.95561 238.7739       
155.0205 320.6132       90.18878 32.67438 10.20021 38.73454 5.545940 -6.060158 
11.61041 
1 1 1 -20 0   13 o 26.97759 6.412092  141.5748       76.56531 184.0021       
155.7016 128.0433       87.93132 29.63651 10.25675 24.31867 7.697974 5.317833 
12.82418 
1 1 1 -20 0   14 o 19.78316 5.699489  40.93745       74.29940 -131.4048      
162.2901 86.63897       83.57209 18.42355 8.588545 21.14276 7.494905 -2.719208 
11.39898 
1 1 1 -20 0   15 o 40.63597 8.169724  377.5624       134.4771 0.000000       
0.000000 377.5624       134.4771 ?        ?        40.63597 8.169724 ? ? 
1 1 1 -20 0   16 o 27.30227 7.138094  96.91791       102.8826 279.9172       
195.4717 26.79792       120.9985 34.47834 11.50426 20.12621 8.453491 14.35213 
14.27619 
1 1 1 -20 0   17 o 37.14590 6.963104  333.1981       105.3217 325.8439       
189.6051 336.4799       126.6601 36.34891 11.26747 37.94290 8.184344 -1.593987 
13.92621 
1 1 1 -20 0   18 o 47.85861 5.742971  511.4463       107.9703 595.6953       
185.1061 468.0017       132.9249 49.95428 9.168471 45.76294 6.918525 4.191345 
11.48594 
1 1 1 -20 0   19 o 47.98526 4.777010  520.7926       95.20790 490.9619       
142.5513 544.8148       127.9222 46.46638 7.307239 49.50413 6.154963 -3.037750 
9.554021 
1 1 1 -20 0   20 o 66.16183 3.994193  968.9700       107.3620 979.2894       
175.2866 962.7743       135.8196 65.99044 6.326866 66.33321 4.876996 
-0.3427734     7.988387 
1 1 1 -20 0   21 o 24.05702 6.725248  112.9836       101.1679 86.34453       
149.3061 135.5963       137.5605 23.17123 9.534927 24.94281 9.486886 -1.771587 
13.45050 
1 1 1 -20 0   22 o 26.10120 6.829781  158.4763       105.6746 58.40300       
161.4429 233.4952       139.7800 22.34653 9.588677 29.85588 9.728355 -7.509350 
13.65956 
1 1 1 -20 0   23 o 37.28236 6.490124  378.3947       103.1286 279.8539       
154.7368 457.1470       138.3302 31.74354 10.22844 42.82118 7.991609 -11.07764 
12.98025 
1 1 1 -20 0   24 o 25.40136 6.052221  83.28334       96.55622 359.2447       
150.1247 -111.4158      126.0985 35.74987 9.739707 15.05285 7.187185 20.69702 
12.10444 
1 1 1 -20 0   25 o 23.34508 6.707074  136.8702       102.0401 172.2838       
154.8394 109.6836       135.6667 24.76891 9.889297 21.92125 9.063177 2.847660 
13.41415 
1 1 1 -20 0   26 o 74.91905 3.996284  1315.471       124.0993 1498.331       
195.2518 1191.535       160.7441 78.79742 5.902065 71.04067 5.389507 7.756752 
7.992568 
1 1 1 -20 1   1  o 126.6226 4.257093  3497.990       214.3944 3065.615       
353.6898 3749.142       269.5635 120.0312 7.018586 133.2140 4.819837 -13.18283 
8.514187 
1 1 1 -20 1   2  o 100.1989 3.629973  2128.557       147.0312 2102.512       
242.4460 2143.708       184.9164 99.61182 5.797292 100.7860 4.370150 -1.174187 
7.259945 
1 1 1 -20 1   3  o 22.07920 6.206557  20.32362       98.82949 -173.7823      
162.1203 135.1162       124.6738 17.77921 8.362693 26.37919 9.173373 -8.599979 
12.41311 
1 1 1 -20 1   4  o 76.90977 3.496613  1261.130       111.9177 1106.206       
161.6857 1403.640       155.0723 72.29269 5.327191 81.52685 4.530589 -9.234161 
6.993226 
1 1 1 -20 1   5  o 84.36159 4.127820  1498.870       125.8690 1530.706       
254.7895 1488.592       144.7677 84.72974 7.162533 83.99344 4.105324 0.7363052 
8.255639 
1 1 1 -20 1   6  o 105.4821 3.470665  2357.390       151.1845 2334.852       
235.4477 2373.202       197.2121 104.9766 5.342238 105.9877 4.431993 -1.011154 
6.941331 
1 1 1 -20 1   7  o 46.84535 5.030782  443.7932       91.29467 535.0855       
171.1929 407.5122       107.9216 49.89830 8.171865 43.79240 5.869897 6.105892 
10.06156 
1 1 1 -20 1   8  o 61.39314 3.877137  821.2287       97.15044 682.6641       
147.5365 927.3055       129.0874 56.60126 6.208609 66.18501 4.645635 -9.583748 
7.754273 
1 1 1 -20 1   9  o 57.50517 4.507023  692.4072       101.3508 745.1989       
182.5215 668.8732       121.8653 58.88791 7.382594 56.12244 5.172072 2.765469 
9.014047 
1 1 1 -20 1   10 o 88.00659 3.178881  1608.054       109.6716 1735.985       
196.8743 1550.491       132.0598 90.35006 5.190170 85.66313 3.671958 4.686928 
6.357762 
1 1 1 -20 1   11 o 81.76744 3.926867  1428.364       114.6592 1423.513       
234.5113 1429.888       131.4411 81.32239 6.868703 82.21250 3.808154 
-0.8901138     7.853733 
1 1 1 -20 1   12 o 49.71359 4.394161  498.7035       82.74428 606.4732       
161.5979 460.4077       96.33045 52.92854 7.272218 46.49864 4.934514 6.429897 
8.788321 
1 1 1 -20 1   13 o 35.30211 5.902210  229.5029       77.85503 428.5631       
159.9179 167.6658       89.13108 43.28801 9.088683 27.31620 7.532607 15.97181 
11.80442 
1 1 1 -20 1   14 o 72.52354 3.143971  1020.440       88.27106 1388.311       
168.8076 881.9968       103.5573 80.57845 4.989928 64.46864 3.826074 16.10981 
6.287943 
1 1 1 -20 1   15 o 18.99951 5.500395  35.01469       65.04295 43.42878       
119.0715 31.43623       77.65196 20.82350 8.532813 17.17552 6.943233 3.647972 
11.00079 
1 1 1 -20 1   16 o 30.72719 7.352777  203.7427       105.8544 243.7225       
194.0653 186.8098       126.2971 32.75876 11.43990 28.69562 9.240239 4.063139 
14.70555 
1 1 1 -20 1   17 o 72.19396 9.079502  1199.377       275.1958 1199.377       
275.1958 0.000000       0.000000 72.19396 9.079502 ?        ?        ? ? 
1 1 1 -20 1   18 o 40.89360 6.302948  433.1542       106.8695 245.7881       
171.8978 551.2011       136.4432 31.94841 10.78827 49.83880 6.520868 -17.89039 
12.60590 
1 1 1 -20 1   19 o 37.47538 6.104732  345.8932       92.29762 307.6437       
150.2404 369.0793       116.9736 35.10758 9.815115 39.84317 7.261853 -4.735588 
12.20946 
1 1 1 -20 1   20 o 62.32744 4.073821  843.5054       102.2846 934.6075       
173.9801 795.3846       126.4449 64.41415 6.433381 60.24073 4.999566 4.173420 
8.147641 
1 1 1 -20 1   21 o 22.99142 6.716977  80.94727       105.4573 94.74551       
152.4080 68.27246       146.0719 23.64337 9.665194 22.33948 9.330336 1.303894 
13.43395 
1 1 1 -20 1   22 o 18.23687 5.915568  -52.18884      102.5724 -22.60896      
150.1563 -78.06758      140.4484 19.27654 8.710574 17.19719 8.006351 2.079346 
11.83114 
1 1 1 -20 1   23 o 18.65686 6.004602  -38.18741      104.6877 19.26342       
150.1497 -92.53434      146.0373 20.29638 8.967599 17.01733 7.987688 3.279045 
12.00920 
1 1 1 -20 1   24 o 23.27349 6.177329  110.5762       93.84166 -33.38305      
142.3129 221.3278       124.8244 18.03156 8.260977 28.51542 9.186610 -10.48386 
12.35466 
1 1 1 -20 1   25 o 26.79929 6.658263  209.8468       98.54331 125.0543       
149.6007 274.8371       130.9723 22.90761 9.496892 30.69098 9.334823 -7.783369 
13.31653 
1 1 1 -20 1   26 o 27.38259 6.214627  220.8802       98.01723 42.20755       
149.1043 356.8497       130.0714 19.55745 8.765648 35.20773 8.811910 -15.65029 
12.42925 
1 1 1 -20 2   1  o 93.36255 3.614245  1786.732       128.8267 1980.006       
243.9636 1712.000       151.7020 96.62315 6.014021 90.10194 4.010314 6.521217 
7.228490 
1 1 1 -20 2   2  o 25.93090 6.898553  105.8456       99.97683 132.2288       
160.9476 89.26927       127.5750 27.82412 10.33718 24.03768 9.137987 3.786446 
13.79711 
1 1 1 -20 2   3  o 26.44601 6.582268  116.4715       102.3779 -47.17575      
163.8208 221.3397       131.1404 21.14115 9.350541 31.75087 9.266736 -10.60972 
13.16454 
1 1 1 -20 2   4  o 116.1811 3.508868  2855.024       170.6778 2581.373       
238.5818 3141.875       244.2683 110.4458 5.145282 121.9164 4.772282 -11.47063 
7.017735 
1 1 1 -20 2   5  o 80.07954 4.136232  1418.821       129.5934 1186.244       
217.5742 1546.702       161.3342 74.59769 6.947093 85.56139 4.491277 -10.96371 
8.272465 
1 1 1 -20 2   6  o 99.06258 4.050476  2078.493       159.6428 2098.472       
273.9708 2068.222       196.4382 99.24617 6.575239 98.87897 4.731982 0.3671951 
8.100951 
1 1 1 -20 2   7  o 23.28788 6.528903  69.76103       92.68570 27.85572       
160.3763 90.77653       113.5731 23.31320 9.759322 23.26255 8.675364 
0.5065727E-01  13.05781 
1 1 1 -20 2   8  o 93.69757 3.922169  1904.084       140.9280 1770.254       
253.3788 1964.029       169.5779 91.01442 6.631032 96.38071 4.190832 -5.366295 
7.844339 
1 1 1 -20 2   9  o 28.22353 5.491775  184.4081       80.54590 -18.53958      
135.1757 296.1324       100.2953 19.82297 8.642913 36.62409 6.777790 -16.80112 
10.98355 
1 1 1 -20 2   10 o 19.65409 5.976634  7.896330       80.90845 -24.56674      
157.5823 19.51773       94.28484 21.20615 9.288054 18.10204 7.524139 3.104107 
11.95327 
1 1 1 -20 2   11 o 44.23529 5.038296  360.6293       82.50346 564.5794       
173.9606 301.4426       93.71324 50.94006 8.134154 37.53052 5.947541 13.40954 
10.07659 
1 1 1 -20 2   12 o 65.36162 3.797227  913.5398       90.98455 910.0798       
178.9813 914.7455       105.6544 65.00214 6.558447 65.72109 3.829164 
-0.7189560     7.594453 
1 1 1 -20 2   13 o 80.56561 4.020650  1371.977       111.8015 1428.189       
242.2156 1356.759       126.0305 81.11465 7.112525 80.01657 3.751601 1.098083 
8.041301 
1 1 1 -20 2   14 o 68.69656 3.228737  1013.619       83.86787 989.1467       
156.3525 1023.505       99.37397 67.87222 5.486985 69.52090 3.404696 -1.648682 
6.457473 
1 1 1 -20 2   15 o 77.69284 3.055188  1249.549       88.30778 1371.675       
173.8970 1207.113       102.5088 79.89960 5.184044 75.48608 3.234561 4.413521 
6.110376 
1 1 1 -20 2   16 o 52.93528 3.257224  620.3312       67.12998 544.9312       
115.3606 658.9361       82.54533 50.19413 5.474260 55.67643 3.531361 -5.482304 
6.514449 
1 1 1 -20 2   17 o 70.64423 4.324862  1084.593       127.0392 1158.331       
195.9489 1031.124       166.8580 72.53967 6.434106 68.74879 5.781003 3.790886 
8.649723 
1 1 1 -20 2   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 2   19 o 75.06746 3.870637  1223.678       118.5419 1298.534       
193.9282 1179.023       149.7829 76.51909 6.036596 73.61583 4.846321 2.903259 
7.741274 
1 1 1 -20 2   20 o 45.20786 5.272130  456.6361       96.04778 578.2881       
156.6756 383.3914       121.5710 50.09356 7.449729 40.32216 7.462101 9.771400 
10.54426 
1 1 1 -20 2   21 o 57.71147 4.859252  769.5239       116.8108 712.4805       
171.2829 819.1218       159.7141 55.32221 7.374549 60.10073 6.329720 -4.778522 
9.718505 
1 1 1 -20 2   22 o 20.03979 6.260402  -41.26471      105.8231 115.9533       
167.1686 -146.3956      136.7001 24.67542 10.11063 15.40416 7.385507 9.271259 
12.52080 
1 1 1 -20 2   23 o 65.87231 4.285175  992.3641       118.1177 1050.785       
175.8666 944.3544       159.4281 67.49180 6.206594 64.25282 5.910083 3.238976 
8.570350 
1 1 1 -20 2   24 o 20.71443 6.067384  45.10302       97.04730 -109.2918      
150.9523 153.8757       126.7019 16.73669 7.945127 24.69217 9.172108 -7.955488 
12.13477 
1 1 1 -20 2   25 o 23.73235 6.634186  144.0201       96.65939 174.7874       
149.1831 121.7581       126.8988 25.04549 9.793247 22.41921 8.952207 2.626282 
13.26837 
1 1 1 -20 2   26 o 23.73778 6.578370  159.1168       98.85332 99.25140       
149.3322 205.8119       131.8869 21.42332 9.208277 26.05225 9.397204 -4.628937 
13.15674 
1 1 1 -20 3   1  o 190.3889 6.219018  7710.360       438.2667 7945.592       
855.9824 7626.786       510.2158 191.3302 10.65620 189.4476 6.414841 1.882614 
12.43804 
1 1 1 -20 3   2  o 85.46802 4.146663  1551.795       139.3670 1542.635       
243.8443 1556.239       169.8410 85.12377 6.823118 85.81226 4.714268 
-0.6884918     8.293326 
1 1 1 -20 3   3  o 31.05799 6.033969  217.6621       90.26302 64.42559       
139.3060 328.5518       118.5044 23.53436 9.385232 38.58162 7.586339 -15.04726 
12.06794 
1 1 1 -20 3   4  f 81.45171 3.918789  1437.116       127.8837 1297.157       
209.6275 1520.080       161.3957 78.09077 6.393956 84.81264 4.532653 -6.721878 
7.837577 
1 1 1 -20 3   5  o 104.4849 4.043800  2343.532       172.1269 2203.122       
274.5674 2434.442       220.9310 101.7239 6.429053 107.2459 4.906785 -5.521980 
8.087600 
1 1 1 -20 3   6  o 107.1298 4.185226  2503.711       176.9056 2243.378       
298.5894 2644.521       219.5970 102.4703 6.940609 111.7894 4.678935 -9.319115 
8.370453 
1 1 1 -20 3   7  o 108.5704 3.222106  2525.607       139.5033 2393.366       
234.3852 2598.152       173.6008 106.1951 5.257106 110.9457 3.727025 -4.750603 
6.444213 
1 1 1 -20 3   8  o 182.3174 5.239385  7046.517       342.2518 7333.376       
703.2971 6957.504       391.7704 183.6209 9.123000 181.0140 5.155141 2.606979 
10.47877 
1 1 1 -20 3   9  o 95.17459 4.071035  2061.504       132.6550 1702.754       
273.3493 2172.021       151.7183 88.93530 7.320905 101.4139 3.563375 -12.47857 
8.142070 
1 1 1 -20 3   10 o 51.71869 4.366322  551.2031       81.91415 616.2421       
168.2714 531.0040       93.77538 53.40202 7.505396 50.03536 4.464088 3.366653 
8.732643 
1 1 1 -20 3   11 o 93.88417 3.128256  1776.115       106.5254 2062.248       
220.9915 1689.505       121.5833 98.32079 5.353665 89.44756 3.237623 8.873222 
6.256511 
1 1 1 -20 3   12 o 63.34641 4.090978  834.7846       92.84492 909.2339       
193.0207 812.3741       105.9009 64.80364 7.094561 61.88918 4.075736 2.914463 
8.181956 
1 1 1 -20 3   13 o 89.85590 3.908772  1541.262       114.8630 2051.401       
282.6690 1440.367       125.7096 97.25313 6.923020 82.45866 3.631226 14.79446 
7.817545 
1 1 1 -20 3   14 o 50.16249 3.942122  516.4957       76.12576 603.5839       
143.4393 482.3483       89.81876 52.76435 6.475132 47.56064 4.498217 5.203705 
7.884243 
1 1 1 -20 3   15 o 40.78351 4.674151  357.5418       71.59869 395.2556       
132.2014 341.8882       85.17121 41.67089 7.844390 39.89612 5.084909 1.774769 
9.348303 
1 1 1 -20 3   16 f 90.20020 3.948118  1805.013       142.3760 1608.794       
232.8134 1922.236       179.9474 85.70652 6.470163 94.69386 4.526315 -8.987343 
7.896236 
1 1 1 -20 3   17 o 49.95071 5.324214  571.6901       105.2786 534.5906       
167.5049 595.9147       135.3542 47.79751 8.666174 52.10392 6.187603 -4.306408 
10.64843 
1 1 1 -20 3   18 o 28.80789 6.088843  183.0347       84.21030 93.95455       
113.0520 294.0660       126.2150 22.57372 8.596101 35.04206 8.625724 -12.46834 
12.17769 
1 1 1 -20 3   19 o 31.21726 7.754029  190.4279       105.9063 362.0233       
237.5638 147.8666       118.3136 36.82115 12.67644 25.61338 8.933519 11.20777 
15.50806 
1 1 1 -20 3   20 o 47.55294 5.198201  494.1841       98.62621 681.8641       
164.2714 388.4017       123.3274 54.56152 7.171280 40.54436 7.527146 14.01715 
10.39640 
1 1 1 -20 3   21 o 20.95884 6.210360  -5.094958      99.28424 158.3748       
151.6540 -127.7118      131.3441 26.39402 9.983755 15.52365 7.389107 10.87036 
12.42072 
1 1 1 -20 3   22 o 19.84713 6.208060  5.107021       101.2076 27.14902       
153.8131 -11.72246      134.4012 21.00726 9.188803 18.68699 8.350207 2.320269 
12.41612 
1 1 1 -20 3   23 o 63.75216 4.632377  931.3243       122.9536 1091.444       
188.5807 812.9283       162.1600 68.42657 6.564376 59.07775 6.537939 9.348827 
9.264754 
1 1 1 -20 3   24 o 48.75851 5.563616  607.7722       106.9851 488.6642       
160.5448 702.9152       143.4876 42.71066 9.215632 54.80637 6.235976 -12.09570 
11.12723 
1 1 1 -20 3   25 o 33.50634 5.723599  306.7480       104.7155 26.11687       
151.9580 560.5200       144.5032 19.69851 8.838496 47.31418 7.274568 -27.61567 
11.44720 
1 1 1 -20 3   26 o 20.82209 6.330144  69.68747       102.3846 163.5789       
152.5778 -7.220879      138.0909 23.91295 9.705543 17.73124 8.129290 6.181715 
12.66029 
1 1 1 -20 4   1  o 46.40500 5.576885  505.8796       99.97238 199.7204       
140.3844 820.9015       142.4018 30.57363 9.731630 62.23636 5.449948 -31.66273 
11.15377 
1 1 1 -20 4   2  o 26.24580 6.162898  -26.84852      104.3861 334.0740       
169.2134 -248.5794      132.6297 38.54384 10.26899 13.94775 6.817118 24.59608 
12.32580 
1 1 1 -20 4   3  o 88.42285 3.831643  1628.805       134.1942 1744.461       
235.6759 1573.317       163.2414 90.57018 6.197992 86.27551 4.506755 4.294670 
7.663285 
1 1 1 -20 4   4  o 60.02282 4.577807  765.8112       113.0125 776.2233       
179.2063 758.9363       145.6187 60.27416 7.081791 59.77148 5.802888 0.5026817 
9.155615 
1 1 1 -20 4   5  o 88.69248 4.160992  1717.456       148.1192 1503.453       
239.3656 1850.248       188.5549 83.90528 6.795064 93.47968 4.804428 -9.574402 
8.321984 
1 1 1 -20 4   6  o 108.5883 4.104199  2509.159       173.0467 2506.343       
310.2478 2510.430       208.4909 108.2689 6.825370 108.9077 4.559839 
-0.6388702     8.208399 
1 1 1 -20 4   7  o 28.05380 6.822502  160.9579       95.90147 120.9114       
163.7102 181.8800       118.3303 27.22421 10.35091 28.88340 8.890713 -1.659191 
13.64500 
1 1 1 -20 4   8  o 103.9555 3.299202  2268.206       134.0899 2355.425       
239.7746 2228.517       161.7469 105.2110 5.428290 102.6999 3.751345 2.511101 
6.598403 
1 1 1 -20 4   9  o 64.63029 4.178948  973.0015       99.45457 707.9785       
176.7758 1095.735       120.2991 57.29937 7.348422 71.96122 3.981851 -14.66185 
8.357897 
1 1 1 -20 4   10 o 109.0415 3.812973  2387.510       142.0152 2798.177       
321.2781 2287.782       158.3225 114.0602 6.709157 104.0227 3.625228 10.03749 
7.625947 
1 1 1 -20 4   11 o 68.37553 4.016217  1025.594       100.4513 946.6160       
194.1962 1054.445       117.3737 66.20380 6.986810 70.54726 3.962888 -4.343460 
8.032434 
1 1 1 -20 4   12 o 52.88734 4.434374  579.5602       88.57601 654.8605       
171.1608 552.0181       103.5151 54.88003 7.428668 50.89464 4.844542 3.985394 
8.868748 
1 1 1 -20 4   13 o 30.94032 6.279158  220.3383       79.43340 187.5609       
161.6366 230.7747       91.20675 29.87151 10.43958 32.00914 6.980428 -2.137623 
12.55832 
1 1 1 -20 4   14 o 68.91338 3.249504  1003.031       87.07731 1043.446       
157.2083 985.1437       104.5867 69.69045 5.373079 68.13630 3.656108 1.554153 
6.499008 
1 1 1 -20 4   15 o 21.43701 6.312806  -0.1486984     97.17986 121.0273       
153.4543 -81.28545      125.5682 26.09440 9.992191 16.77962 7.717656 9.314775 
12.62561 
1 1 1 -20 4   16 o 65.94225 4.753852  986.7009       121.1091 871.5416       
210.4256 1043.743       148.0966 62.31919 8.042625 69.56532 5.070763 -7.246124 
9.507705 
1 1 1 -20 4   17 o 40.90108 6.327275  398.8695       104.4266 386.7256       
163.0195 407.3203       135.9909 39.92571 9.787735 41.87645 8.021091 -1.950741 
12.65455 
1 1 1 -20 4   18 o 62.25279 3.933189  851.0544       102.4460 895.9431       
141.9528 802.2617       147.9972 64.10059 5.274764 60.40499 5.835819 3.695591 
7.866379 
1 1 1 -20 4   19 o 26.53795 6.258265  153.4057       89.66987 46.96921       
129.7898 250.6063       124.0309 21.05253 8.794035 32.02337 8.906652 -10.97084 
12.51653 
1 1 1 -20 4   20 o 18.52839 5.532289  -13.66369      86.68414 -256.9338      
154.1243 98.89478       104.8373 14.88352 7.291777 22.17326 8.321951 -7.289740 
11.06458 
1 1 1 -20 4   21 o 20.51848 9.534136  -86.16151      197.9390 -86.16151      
197.9390 0.000000       0.000000 20.51848 9.534136 ?        ?        ? ? 
1 1 1 -20 4   22 o 16.91821 5.643712  -112.6271      103.4092 -72.81569      
155.4959 -144.1959      138.4663 18.27062 8.474513 15.56580 7.455772 2.704822 
11.28742 
1 1 1 -20 4   23 o 46.16970 5.994089  530.2108       112.0788 562.1353       
174.5884 507.8315       146.1762 46.43452 9.283782 45.90487 7.584709 0.5296478 
11.98818 
1 1 1 -20 4   24 o 45.29221 6.025660  536.1299       110.3798 448.6186       
163.1643 609.9730       149.8815 40.30027 9.738018 50.28413 7.099669 -9.983860 
12.05132 
1 1 1 -20 4   25 o 24.33788 6.583938  157.7289       98.30219 85.53648       
149.7538 212.3889       130.3067 21.53498 9.237553 27.14079 9.384059 -5.605814 
13.16788 
1 1 1 -20 4   26 o 17.82014 5.853111  -22.25756      101.9885 5.329152       
165.9896 -38.98833      129.2674 19.20584 8.849736 16.43443 7.662755 2.771412 
11.70622 
1 1 1 -20 5   1  o 67.62883 4.475108  919.4301       121.4651 1163.285       
213.0298 801.9628       147.8540 73.81303 6.874300 61.44463 5.731524 12.36840 
8.950216 
1 1 1 -20 5   2  o 42.80945 6.361667  394.7050       107.5875 477.1275       
179.5360 348.5225       134.3903 46.09646 9.594101 39.52244 8.356820 6.574024 
12.72333 
1 1 1 -20 5   3  o 53.16650 5.145594  600.8765       111.1924 622.7654       
182.9515 588.0551       140.0208 53.80411 8.099191 52.52890 6.349146 1.275204 
10.29119 
1 1 1 -20 5   4  o 77.91740 4.189534  1228.641       127.7752 1468.063       
234.6473 1127.721       152.3429 82.89227 6.742525 72.94255 4.974648 9.949715 
8.379067 
1 1 1 -20 5   5  o 92.56825 4.219589  1919.323       153.5145 1510.327       
249.8380 2167.409       194.5804 83.95982 7.087746 101.1767 4.580783 -17.21687 
8.439178 
1 1 1 -20 5   6  o 158.0986 5.073057  5471.493       305.0154 5100.489       
555.6910 5631.469       364.8980 153.4135 8.627621 162.7837 5.339268 -9.370209 
10.14611 
1 1 1 -20 5   7  o 172.4036 5.338577  6473.618       344.6418 6244.681       
649.5020 6563.340       406.6057 169.2215 9.142101 175.5857 5.515760 -6.364166 
10.67715 
1 1 1 -20 5   8  o 60.63806 4.767719  846.4115       109.5196 639.5752       
187.8771 952.8734       134.7899 54.28486 8.243586 66.99126 4.792481 -12.70641 
9.535438 
1 1 1 -20 5   9  o 105.4886 3.887537  2217.169       132.8595 2629.255       
323.1022 2133.313       145.7520 110.4884 6.965372 100.4889 3.454758 9.999535 
7.775073 
1 1 1 -20 5   10 o 36.64133 5.889908  314.3088       78.43904 258.9579       
163.8459 330.7664       89.34253 33.91588 10.46627 39.36679 5.405667 -5.450909 
11.77982 
1 1 1 -20 5   11 o 77.50502 3.566391  1063.135       98.45541 1731.201       
222.4212 900.3336       109.7983 89.84571 5.896576 65.16432 4.013350 24.68139 
7.132782 
1 1 1 -20 5   12 o 82.93259 3.378293  1464.224       103.0290 1470.269       
202.1915 1462.103       119.7406 82.74055 5.820570 83.12464 3.431095 
-0.3840942     6.756586 
1 1 1 -20 5   13 o 121.4081 3.813480  3052.102       158.3951 3357.185       
351.9570 2974.619       177.3726 124.3447 6.741916 118.4714 3.566103 5.873283 
7.626960 
1 1 1 -20 5   14 o 58.67031 4.756766  784.0351       110.4377 625.0289       
177.1935 885.0355       141.2220 53.15635 7.939878 64.18428 5.240767 -11.02794 
9.513532 
1 1 1 -20 5   15 o 40.90538 6.285933  382.5997       103.4615 439.5485       
163.7775 344.7807       133.4648 43.27429 9.282495 38.53646 8.478625 4.737823 
12.57187 
1 1 1 -20 5   16 o 137.5060 4.911539  4229.014       269.5482 4010.456       
449.7399 4351.533       336.7279 133.5346 8.022114 141.4774 5.669086 -7.942871 
9.823077 
1 1 1 -20 5   17 o 133.4909 5.227307  4096.619       278.0695 3618.638       
454.1142 4383.349       351.7200 125.5658 8.614201 141.4160 5.924061 -15.85027 
10.45461 
1 1 1 -20 5   18 f 85.40392 3.499557  1586.741       125.2810 1538.270       
180.4092 1631.885       174.1069 84.04536 5.112886 86.76247 4.779748 -2.717117 
6.999114 
1 1 1 -20 5   19 o 51.67779 4.331302  595.8736       93.67819 547.5563       
132.9993 643.4449       131.9687 49.45584 6.405498 53.89973 5.831835 -4.443897 
8.662603 
1 1 1 -20 5   20 o 54.55969 4.220202  664.7692       96.60280 686.1248       
139.8037 645.2557       133.6387 55.37176 6.013835 53.74763 5.922348 1.624130 
8.440404 
1 1 1 -20 5   21 o 34.07402 6.770649  302.6022       100.7958 277.3567       
156.0172 320.6883       132.0544 32.46293 10.25169 35.68512 8.847006 -3.222183 
13.54130 
1 1 1 -20 5   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 5   23 o 61.96410 4.777062  881.4092       122.8606 1074.743       
190.3011 743.2299       160.8826 67.72155 6.693225 56.20664 6.817774 11.51491 
9.554125 
1 1 1 -20 5   24 o 42.26277 6.154514  487.3360       107.6413 302.4383       
157.3761 649.8738       147.5537 32.30957 10.30574 52.21597 6.730816 -19.90639 
12.30903 
1 1 1 -20 5   25 o 24.84843 6.696293  169.8529       100.4583 107.3248       
152.0490 218.2925       133.8279 22.34416 9.434924 27.35270 9.504925 -5.008537 
13.39259 
1 1 1 -20 5   26 o 21.50889 6.451294  104.3592       100.3255 111.3490       
155.0044 99.31988       131.6117 21.97322 9.410893 21.04456 8.826770 0.9286613 
12.90259 
1 1 1 -20 6   1  o 79.31741 4.210292  1376.317       135.5007 1166.622       
210.7640 1524.051       176.9058 73.85472 6.797344 84.78011 4.970146 -10.92538 
8.420584 
1 1 1 -20 6   2  o 29.10054 6.799897  173.2716       105.3292 33.97214       
168.1657 263.1978       135.1156 23.97971 10.01298 34.22137 9.202967 -10.24167 
13.59979 
1 1 1 -20 6   3  o 73.48280 3.638860  1170.310       109.8450 970.4818       
163.1646 1335.945       148.5505 67.52253 5.755703 79.44308 4.453886 -11.92055 
7.277721 
1 1 1 -20 6   4  o 47.49139 5.909563  519.3408       110.2884 391.1927       
170.5351 611.4716       144.5972 41.49279 9.911249 53.48999 6.438855 -11.99720 
11.81913 
1 1 1 -20 6   5  o 39.56548 6.228668  296.7836       106.9652 603.9628       
180.4880 130.4853       132.7995 52.84837 8.134628 26.28259 9.434673 26.56578 
12.45734 
1 1 1 -20 6   6  o 57.59464 5.156223  783.7151       108.8710 550.0930       
181.2307 915.6292       136.1823 49.52741 9.052225 65.66187 4.940016 -16.13446 
10.31245 
1 1 1 -20 6   7  o 41.56494 5.837286  329.5838       94.38912 552.6433       
177.0355 240.9924       111.5696 50.42497 8.362492 32.70491 8.146433 17.72006 
11.67457 
1 1 1 -20 6   8  o 87.62051 3.837642  1575.441       131.0233 1803.648       
240.7120 1479.362       156.1883 91.73652 6.249949 83.50451 4.455122 8.232010 
7.675284 
1 1 1 -20 6   9  o 145.4020 4.818565  4453.456       226.9787 4718.298       
536.2386 4395.648       250.5286 146.7987 8.700752 144.0053 4.143811 2.793457 
9.637130 
1 1 1 -20 6   10 o 32.75433 6.126725  179.2256       82.49145 425.5638       
163.1923 94.67926       95.60515 43.14719 9.275219 22.36147 8.007332 20.78572 
12.25345 
1 1 1 -20 6   11 o 66.02146 4.259543  899.5826       98.06316 1005.845       
213.0243 871.0094       110.4634 67.98346 7.463575 64.05946 4.107296 3.923996 
8.519087 
1 1 1 -20 6   12 o 47.62689 5.479695  546.4317       96.14565 391.3177       
163.3770 628.6113       118.9179 41.06424 9.632586 54.18955 5.227001 -13.12532 
10.95939 
1 1 1 -20 6   13 o 21.60446 5.834819  -29.60966      99.90412 -359.2901      
158.2736 188.7415       128.8071 14.12720 7.011648 29.08171 9.328304 -14.95450 
11.66964 
1 1 1 -20 6   14 o 65.46645 3.828855  938.7393       103.3531 803.8672       
153.4686 1050.674       139.8108 60.89813 6.002562 70.03476 4.754974 -9.136627 
7.657710 
1 1 1 -20 6   15 o 93.06439 3.900476  1901.708       144.8573 1780.803       
241.5110 1969.644       181.0370 90.24960 6.374010 95.87918 4.497425 -5.629585 
7.800951 
1 1 1 -20 6   16 o 39.57753 6.059797  340.1283       101.3799 564.3782       
161.3651 193.8911       130.3084 50.16943 7.661106 28.98564 9.391060 21.18379 
12.11959 
1 1 1 -20 6   17 o 61.90300 4.749123  853.3322       116.3856 845.9357       
199.7452 857.1341       143.2071 61.10704 7.785851 62.69896 5.440331 -1.591915 
9.498246 
1 1 1 -20 6   18 o 37.71487 5.630486  350.3000       88.53347 474.3140       
120.3020 203.7845       130.7614 46.23779 6.197219 29.19195 9.402339 17.04584 
11.26097 
1 1 1 -20 6   19 o 35.35361 6.193607  306.8097       91.58482 287.7636       
132.5567 324.2055       126.6838 34.11557 9.088762 36.59164 8.416501 -2.476070 
12.38721 
1 1 1 -20 6   20 o 35.42392 6.356023  313.2997       94.63567 323.6201       
137.3666 303.9764       130.5625 35.92594 9.094390 34.92190 8.881903 1.004044 
12.71205 
1 1 1 -20 6   21 o 39.83457 5.800597  381.9610       97.17929 599.0275       
145.5685 207.4445       130.5237 51.00369 6.798090 28.66545 9.400728 22.33824 
11.60119 
1 1 1 -20 6   22 o 18.64488 5.928473  -18.56689      96.50845 0.8601983      
146.4356 -33.48437      128.3188 19.71148 8.764460 17.57828 7.985699 2.133202 
11.85695 
1 1 1 -20 6   23 f 23.51652 7.227570  81.51965       127.6223 -86.06467      
276.8031 126.7610       143.8209 23.00040 10.85023 24.03265 9.551101 -1.032249 
14.45514 
1 1 1 -20 6   24 o 41.19361 6.550974  472.4888       114.4046 336.8389       
169.3046 586.4771       155.1991 33.63045 10.68534 48.75677 7.581851 -15.12632 
13.10195 
1 1 1 -20 6   25 o 41.51025 6.246251  477.2215       104.8757 459.1944       
158.6177 491.2235       139.7927 39.84869 9.584128 43.17181 8.012932 -3.323116 
12.49250 
1 1 1 -20 6   26 f 21.49133 6.458301  104.0370       102.1036 77.33378       
155.1784 124.4237       135.5887 20.84305 9.172329 22.13962 9.094338 -1.296572 
12.91660 
1 1 1 -20 7   1  f 26.28656 6.459803  132.9568       85.83503 164.8496       
137.4010 112.5444       109.9235 28.32480 9.645212 24.24833 8.595703 4.076466 
12.91961 
1 1 1 -20 7   2  o 64.21407 4.717638  912.6259       122.7398 727.5982       
186.6655 1053.556       162.9102 58.08289 7.654853 70.34526 5.516128 -12.26237 
9.435276 
1 1 1 -20 7   3  o 21.72134 6.449019  13.63266       102.8542 -87.84142      
164.5825 78.65962       131.7506 19.87878 9.034310 23.56391 9.205467 -3.685129 
12.89804 
1 1 1 -20 7   4  o 57.11077 5.010791  741.8961       110.6430 582.0546       
185.3463 830.3915       137.9114 51.74635 8.531497 62.47519 5.257915 -10.72884 
10.02158 
1 1 1 -20 7   5  o 100.3598 3.416522  2155.794       142.7134 1970.099       
210.0486 2315.016       194.5012 96.22186 5.199566 104.4978 4.433395 -8.275909 
6.833043 
1 1 1 -20 7   6  o 70.58625 4.174810  1135.983       112.3619 875.0680       
192.0714 1271.731       138.5417 63.70665 7.181233 77.46586 4.259819 -13.75921 
8.349621 
1 1 1 -20 7   7  o 77.31926 4.063454  1284.422       123.2309 1258.316       
215.6434 1297.082       150.1658 76.48058 6.715928 78.15794 4.576347 -1.677361 
8.126908 
1 1 1 -20 7   8  o 106.3315 4.586808  2395.046       165.9809 2493.146       
366.3107 2369.701       186.1916 106.9493 8.158173 105.7137 4.195171 1.235527 
9.173616 
1 1 1 -20 7   9  o 24.68017 6.560236  100.6104       84.91894 122.7088       
161.4334 92.15628       99.84994 26.93932 10.26814 22.42102 8.167751 4.518299 
13.12047 
1 1 1 -20 7   10 o 122.7619 3.674284  3032.679       146.0529 3523.372       
353.6677 2931.790       160.3662 127.7492 6.594140 117.7745 3.243266 9.974709 
7.348568 
1 1 1 -20 7   11 o 121.2985 3.618926  3145.504       184.0125 2919.194       
257.6956 3380.953       262.8467 116.7871 5.255732 125.8100 4.976323 -9.022896 
7.237853 
1 1 1 -20 7   12 o 91.89700 3.840748  1743.163       141.3856 2048.133       
246.6287 1593.874       172.5552 97.41223 6.030469 86.38178 4.758027 11.03045 
7.681496 
1 1 1 -20 7   13 o 70.29323 4.433162  1092.690       125.8711 988.4038       
202.0639 1158.816       160.9030 67.14577 7.167886 73.44068 5.218534 -6.294914 
8.866323 
1 1 1 -20 7   14 o 98.62667 4.195797  2117.259       165.6401 2090.127       
278.4375 2132.120       206.0697 97.63266 6.792876 99.62068 4.927036 -1.988022 
8.391594 
1 1 1 -20 7   15 o 27.81100 6.945262  165.2503       99.94987 177.4831       
157.4700 156.9970       129.3448 28.71694 10.27718 26.90507 9.344849 1.811874 
13.89052 
1 1 1 -20 7   16 o 28.07498 6.912214  172.2146       98.99482 204.2630       
153.8408 149.5656       129.3280 29.81108 10.20593 26.33888 9.324902 3.472202 
13.82443 
1 1 1 -20 7   17 f 49.78609 4.916435  543.9092       99.39211 598.8352       
165.6490 513.0107       124.2420 51.36921 7.680809 48.20297 6.139257 3.166233 
9.832870 
1 1 1 -20 7   18 o 23.38606 6.290094  89.44715       89.15427 18.69950       
121.0342 173.3681       131.8218 19.41124 8.314876 27.36088 9.440549 -7.949642 
12.58019 
1 1 1 -20 7   19 o 59.46383 3.956787  794.3853       96.49311 710.9672       
148.0273 856.0225       127.2427 56.32308 6.260031 62.60457 4.841143 -6.281490 
7.913574 
1 1 1 -20 7   20 o 22.71611 5.720591  24.29793       89.92198 251.0489       
130.0870 -183.1896      124.4387 31.53589 9.237619 13.89632 6.750334 17.63957 
11.44118 
1 1 1 -20 7   21 o 25.98835 6.409218  145.4771       91.83394 255.5695       
135.9281 53.02827       124.5607 31.40950 9.501109 20.56719 8.604720 10.84231 
12.81844 
1 1 1 -20 7   22 o 22.59398 6.377994  90.75832       94.47086 25.07529       
135.0634 153.6734       132.1869 19.85403 8.648056 25.33393 9.376904 -5.479897 
12.75599 
1 1 1 -20 7   23 o 20.42658 6.167199  50.30443       93.67415 40.94639       
133.1821 59.46640       131.7796 20.10694 8.670153 20.74622 8.773016 
-0.6392803     12.33440 
1 1 1 -20 7   24 o 19.86434 6.266268  20.23065       105.8732 16.94781       
159.7402 22.80251       141.3884 20.18459 9.059162 19.54409 8.660025 0.6405029 
12.53254 
1 1 1 -20 7   25 o 19.03744 8.670085  5.893065       153.3295 5.893065       
153.3295 0.000000       0.000000 19.03744 8.670085 ?        ?        ? ? 
1 1 1 -20 7   26 o 31.70234 7.098702  325.4283       106.7958 301.7255       
167.2959 341.7307       138.7437 29.80430 10.60029 33.60038 9.444581 -3.796087 
14.19740 
1 1 1 -20 8   1  o 30.22097 7.250059  192.4443       108.5322 171.6258       
175.0488 205.4448       138.3293 29.85422 10.82053 30.58772 9.652439 
-0.7335033     14.50012 
1 1 1 -20 8   2  o 45.38440 5.842094  468.6366       102.5787 413.3538       
172.2714 499.0049       127.6818 42.51558 9.838532 48.25321 6.302661 -5.737625 
11.68419 
1 1 1 -20 8   3  o 38.58852 5.718798  357.1737       95.69324 123.2168       
141.0085 556.9078       130.2877 26.17076 9.685119 51.00627 6.084166 -24.83551 
11.43760 
1 1 1 -20 8   4  o 49.27101 5.337048  515.9673       108.2624 572.7458       
174.1704 480.2166       138.2055 51.33192 8.081796 47.21009 6.972868 4.121834 
10.67410 
1 1 1 -20 8   5  o 108.7479 4.391840  2472.683       177.3432 2673.263       
348.7902 2402.748       205.9520 111.1361 7.475327 106.3598 4.612216 4.776291 
8.783681 
1 1 1 -20 8   6  o 52.88680 4.437768  609.3611       96.54942 545.5869       
147.2400 657.4674       127.8806 50.28562 6.974338 55.48797 5.489424 -5.202347 
8.875537 
1 1 1 -20 8   7  o 25.50286 6.342800  116.8246       96.12247 -63.37310      
163.8154 211.4454       118.7061 20.37759 9.158979 30.62814 8.777104 -10.25054 
12.68560 
1 1 1 -20 8   8  o 31.97290 6.610338  231.2845       89.63549 214.3716       
166.4628 238.1909       106.3741 31.51343 10.61636 32.43237 7.879037 
-0.9189396     13.22068 
1 1 1 -20 8   9  o 46.78342 5.799623  484.1649       107.9305 499.1906       
175.6320 475.0473       136.8121 46.74333 9.279390 46.82351 6.959556 
-0.8017349E-01 11.59925 
1 1 1 -20 8   10 f 58.32895 4.208085  743.6558       101.2754 614.4328       
147.2956 859.5196       139.4742 53.28601 6.584119 63.37188 5.242259 -10.08587 
8.416169 
1 1 1 -20 8   11 o 47.16588 6.046098  518.9551       110.4530 440.6231       
183.0227 563.8260       138.5220 43.32034 10.21693 51.01141 6.468034 -7.691074 
12.09220 
1 1 1 -20 8   12 o 54.21998 5.203193  658.5531       111.8020 600.5835       
187.1864 690.7018       139.3979 51.89576 8.591391 56.54420 5.872042 -4.648445 
10.40639 
1 1 1 -20 8   13 o 99.04562 3.887763  2186.406       152.1007 1890.035       
252.6305 2354.921       190.4962 93.08717 6.464232 105.0041 4.321170 -11.91689 
7.775526 
1 1 1 -20 8   14 o 50.90289 5.269564  573.5265       111.5422 589.0118       
170.6246 561.9697       147.4004 51.32120 7.918917 50.48458 6.954421 0.8366203 
10.53913 
1 1 1 -20 8   15 o 27.82928 6.122702  156.4835       100.3390 -80.27482      
158.2917 315.5179       129.7332 19.08473 8.730494 36.57383 8.586524 -17.48910 
12.24540 
1 1 1 -20 8   16 o 112.6668 3.428484  2772.964       158.6270 2599.200       
246.8996 2895.107       207.0021 109.2438 5.383252 116.0899 4.247187 -6.846123 
6.856967 
1 1 1 -20 8   17 o 51.75340 5.890687  663.7115       115.3093 484.7726       
185.1785 777.0353       147.3664 44.15039 10.18971 59.35641 5.913599 -15.20602 
11.78137 
1 1 1 -20 8   18 o 47.39645 4.991502  512.9183       94.96127 392.7171       
129.9681 650.5768       139.0861 40.73791 7.880309 54.05499 6.128711 -13.31708 
9.983005 
1 1 1 -20 8   19 o 33.26530 6.302941  277.3573       92.25750 202.3617       
132.8622 347.1884       128.2059 28.72779 9.484571 37.80280 8.303685 -9.075008 
12.60588 
1 1 1 -20 8   20 o 64.47058 3.816042  922.8309       103.2379 883.9250       
144.2200 963.7191       147.8485 63.04327 5.448886 65.89789 5.344001 -2.854614 
7.632084 
1 1 1 -20 8   21 o 32.78158 6.435273  271.1584       93.82520 362.6473       
139.5387 195.6613       126.7579 37.73621 8.934589 27.82696 9.264127 9.909254 
12.87055 
1 1 1 -20 8   22 o 40.58224 5.638976  397.7457       93.64418 270.9822       
124.7488 561.3869       141.7377 32.25883 8.918447 48.90566 6.903152 -16.64682 
11.27795 
1 1 1 -20 8   23 o 17.89761 5.679331  -48.21075      94.93629 -170.8456      
135.1909 71.10427       133.3485 14.59171 7.071748 21.20350 8.888733 -6.611790 
11.35866 
1 1 1 -20 8   24 o 37.99914 6.366367  394.2644       100.3434 356.5083       
142.7634 431.1280       141.0659 35.71351 9.394745 40.28476 8.594260 -4.571255 
12.73273 
1 1 1 -20 8   25 o 21.30620 6.409410  92.42135       100.8983 62.81012       
150.9871 116.3149       135.6288 20.53037 9.041106 22.08204 9.087384 -1.551666 
12.81882 
1 1 1 -20 9   1  o 24.05237 6.821084  72.37524       103.2974 51.65440       
167.0534 85.20259       131.4378 24.35536 10.06256 23.74938 9.211608 0.6059818 
13.64217 
1 1 1 -20 9   2  o 19.71019 5.863819  -29.24217      88.09294 94.51440       
134.3344 -122.6172      116.6859 24.35190 9.342016 15.06848 7.089725 9.283427 
11.72764 
1 1 1 -20 9   3  o 27.08638 7.088923  132.5905       104.3912 144.0182       
170.6804 125.7609       131.9481 28.32695 10.62099 25.84582 9.391797 2.481131 
14.17785 
1 1 1 -20 9   4  o 90.20754 3.752327  1717.084       139.3578 1836.962       
222.8811 1640.136       178.5678 92.63837 5.730644 87.77672 4.845571 4.861649 
7.504655 
1 1 1 -20 9   5  o 49.88385 5.420400  488.1991       104.3211 836.6531       
182.7908 319.8787       127.0428 62.20269 6.999487 37.56501 8.278291 24.63767 
10.84080 
1 1 1 -20 9   6  o 101.1321 4.180068  2190.721       157.5497 2201.810       
302.5977 2186.597       184.5350 100.8023 7.150171 101.4620 4.332080 
-0.6597214     8.360135 
1 1 1 -20 9   7  o 84.12612 3.485791  1526.533       121.6335 1346.563       
179.0000 1680.919       165.7900 79.34228 5.373650 88.90997 4.441492 -9.567688 
6.971583 
1 1 1 -20 9   8  o 61.56696 4.606245  795.5142       117.3335 981.0068       
185.4281 671.6469       151.5273 67.36954 6.555912 55.76437 6.472247 11.60518 
9.212489 
1 1 1 -20 9   9  o 29.63769 6.916766  194.3324       102.1319 128.5604       
161.6628 238.0196       131.7549 27.04846 10.28543 32.22692 9.250760 -5.178463 
13.83353 
1 1 1 -20 9   10 o 66.99585 4.387463  975.6683       121.9710 933.1527       
184.6703 1008.566       162.4451 65.52740 6.712667 68.46429 5.651498 -2.936897 
8.774926 
1 1 1 -20 9   11 o 98.76718 4.515328  2158.416       178.7047 1971.003       
292.9494 2269.490       225.5271 94.74174 7.364993 102.7926 5.225862 -8.050865 
9.030656 
1 1 1 -20 9   12 o 54.38639 4.416863  644.0366       100.7339 615.2330       
143.3546 672.1316       141.5805 53.12820 6.426991 55.64458 6.060405 -2.516380 
8.833726 
1 1 1 -20 9   13 o 44.09417 6.199678  479.5985       109.0940 308.6317       
169.8540 599.6512       142.3332 35.85089 10.57283 52.33744 6.477609 -16.48655 
12.39936 
1 1 1 -20 9   14 o 94.39915 4.277046  1948.895       160.4609 1944.000       
274.2742 1951.442       197.8543 93.69238 6.972713 95.10591 4.955175 -1.413528 
8.554092 
1 1 1 -20 9   15 o 106.2821 4.121291  2417.470       166.7544 2603.348       
313.9236 2344.406       196.8183 108.1886 6.911360 104.3755 4.491466 3.813118 
8.242582 
1 1 1 -20 9   16 o 58.78426 4.472776  720.5311       106.0408 936.2103       
183.9077 613.1124       129.7884 64.76301 6.763851 52.80552 5.854334 11.95749 
8.945553 
1 1 1 -20 9   17 o 109.1351 4.037550  2652.656       176.1311 2526.839       
293.4585 2723.499       220.2032 106.2374 6.579461 112.0327 4.681660 -5.795319 
8.075100 
1 1 1 -20 9   18 o 61.32555 4.086935  828.5847       104.5424 708.4153       
142.1981 969.9386       154.2236 56.38707 6.006691 66.26404 5.543629 -9.876965 
8.173870 
1 1 1 -20 9   19 o 70.40228 3.655128  1089.603       107.7401 1135.328       
159.4938 1051.225       146.1183 71.66986 5.300640 69.13471 5.034189 2.535149 
7.310256 
1 1 1 -20 9   20 f 65.69989 3.594443  955.1718       98.96950 1026.316       
140.9211 885.9276       139.0261 68.22083 4.920170 63.17895 5.241374 5.041874 
7.188886 
1 1 1 -20 9   21 o 59.31041 4.258411  801.1871       105.6973 786.6299       
154.6879 813.9362       144.7625 58.59792 6.287748 60.02291 5.744606 -1.424995 
8.516823 
1 1 1 -20 9   22 o 20.03558 6.116505  30.92808       95.35837 -16.41582      
135.9578 76.76921       133.7827 18.42973 8.310321 21.64143 8.976920 -3.211697 
12.23301 
1 1 1 -20 9   23 o 60.61520 4.226617  852.5263       106.7400 735.9282       
149.8523 972.6149       152.0787 56.01038 6.372588 65.22001 5.554035 -9.209625 
8.453235 
1 1 1 -20 9   24 o 37.62635 6.439977  392.5185       101.9767 481.8097       
146.6878 309.0002       141.8667 42.57777 8.506891 32.67493 9.670884 9.902847 
12.87995 
1 1 1 -20 9   25 o 21.77611 6.141441  105.7400       90.37083 18.25119       
129.8523 187.9174       125.8490 18.18412 8.164408 25.36810 9.176691 -7.183985 
12.28288 
1 1 1 -20 10  1  o 38.61688 6.608630  329.1013       104.6228 429.0786       
168.3399 266.1803       133.5469 43.15968 9.544624 34.07408 9.143090 9.085606 
13.21726 
1 1 1 -20 10  2  o 38.18635 6.391659  354.1062       105.7209 193.4827       
169.3187 456.7408       135.3465 30.46922 10.68132 45.90347 7.023001 -15.43424 
12.78332 
1 1 1 -20 10  3  o 77.27063 3.976140  1254.623       123.0265 1363.124       
211.6819 1199.281       151.1808 79.52819 6.339918 75.01308 4.800437 4.515114 
7.952280 
1 1 1 -20 10  4  o 41.75792 6.366426  366.3600       105.9622 557.5052       
179.7131 264.4951       131.1929 49.55053 8.968058 33.96531 9.038774 15.58522 
12.73285 
1 1 1 -20 10  5  o 166.9152 4.482996  6113.056       301.4560 5607.402       
489.4419 6422.124       382.6504 160.5587 7.260866 173.2717 5.260119 -12.71301 
8.965993 
1 1 1 -20 10  6  o 41.38004 6.608067  416.7110       111.2611 287.3680       
187.3125 487.2243       138.3028 35.38703 11.23883 47.37305 6.953773 -11.98603 
13.21613 
1 1 1 -20 10  7  o 68.10956 4.283813  997.3861       119.4484 1012.205       
191.8382 988.0033       152.6499 68.32612 6.687587 67.89300 5.355408 0.4331207 
8.567626 
1 1 1 -20 10  8  o 33.71915 6.976091  263.2909       104.0397 254.2035       
163.2669 269.5039       134.9995 33.30679 10.48208 34.13152 9.208118 
-0.8247299     13.95218 
1 1 1 -20 10  9  o 44.73685 5.962791  474.8467       105.2702 352.9973       
164.7212 558.9718       136.8675 38.72026 10.04795 50.75345 6.423265 -12.03319 
11.92558 
1 1 1 -20 10  10 f 23.32353 6.670125  68.46291       101.0108 30.85730       
161.4097 92.67107       129.5043 22.92490 9.702575 23.72217 9.155455 
-0.7972698     13.34025 
1 1 1 -20 10  11 o 32.00788 6.910410  235.5808       99.98867 255.9897       
157.1448 221.6973       129.6105 33.07110 10.25900 30.94466 9.261095 2.126446 
13.82082 
1 1 1 -20 10  12 f 46.33179 5.794722  488.0911       107.4202 488.7702       
170.8242 487.6469       138.1541 45.63414 9.238858 47.02946 6.997048 -1.395321 
11.58944 
1 1 1 -20 10  13 o 17.61430 5.751833  -89.91357      99.58700 -142.0134      
156.5080 -54.46751      129.0929 17.50167 8.227634 17.72692 8.039925 
-0.2252598     11.50367 
1 1 1 -20 10  14 o 27.80101 7.053736  162.9940       103.7142 203.8690       
161.4928 134.3007       135.3054 29.89534 10.43618 25.70668 9.492470 4.188667 
14.10747 
1 1 1 -20 10  15 o 46.13917 6.072097  518.3101       109.5248 420.8279       
176.9237 578.8792       139.4598 41.20108 10.25606 51.07726 6.503431 -9.876175 
12.14419 
1 1 1 -20 10  16 o 68.65840 4.214125  1067.123       117.9727 883.7214       
178.2913 1209.959       157.3427 62.78361 6.764019 74.53319 5.028264 -11.74958 
8.428249 
1 1 1 -20 10  17 o 57.99710 4.478358  698.9870       104.7384 967.0949       
181.6898 565.5460       128.1801 65.57941 6.599093 50.41480 6.055967 15.16460 
8.956717 
1 1 1 -20 10  18 o 55.54355 4.393193  688.6259       101.7560 587.3865       
138.9169 805.8336       149.4716 50.99970 6.487963 60.08740 5.925108 -9.087700 
8.786386 
1 1 1 -20 10  19 o 34.84798 6.085468  292.5047       89.50127 404.7934       
137.5615 210.0791       117.8583 40.66454 8.344412 29.03141 8.860162 11.63313 
12.17094 
1 1 1 -20 10  20 o 42.18133 5.644968  441.4623       96.04486 296.7754       
136.6776 582.6065       134.9939 33.86797 9.322753 50.49469 6.367802 -16.62672 
11.28994 
1 1 1 -20 10  21 o 63.03263 4.181759  910.5241       109.6428 833.9005       
161.1269 976.6008       149.6275 60.14241 6.381288 65.92284 5.406255 -5.780430 
8.363518 
1 1 1 -20 10  22 o 28.93665 6.810544  224.5546       98.06579 184.8309       
139.3552 263.5242       138.0263 26.72837 9.657774 31.14493 9.605284 -4.416561 
13.62109 
1 1 1 -20 10  23 o 46.42871 5.376547  542.1131       100.0308 596.3419       
134.7212 475.4818       149.3346 50.27262 6.383010 42.58479 8.653683 7.687828 
10.75309 
1 1 1 -20 10  24 o 20.14710 6.027101  32.91265       97.44052 -104.9315      
139.6789 163.5880       135.9983 15.79478 7.546885 24.49942 9.399378 -8.704640 
12.05420 
1 1 1 -20 10  25 o 22.81532 6.021167  113.3653       92.24963 -48.61044      
135.1292 254.7423       126.2449 16.51866 7.740969 29.11197 9.224707 -12.59331 
12.04233 
1 1 1 -20 11  1  o 75.91235 3.925125  1147.784       116.3803 1491.359       
217.3388 1009.664       137.8018 83.06685 6.232046 68.75785 4.773683 14.30900 
7.850251 
1 1 1 -20 11  2  f 52.35093 5.207967  599.2419       112.4509 597.2108       
175.7874 600.6488       146.3011 52.07767 8.040023 52.62419 6.621911 
-0.5465202     10.41593 
1 1 1 -20 11  3  o 55.82693 4.956296  658.8121       114.4343 811.2092       
181.3452 557.9740       147.5128 61.01455 7.079354 50.63931 6.938461 10.37524 
9.912593 
1 1 1 -20 11  4  o 128.0811 4.449241  3607.417       232.6099 3253.766       
363.5165 3852.624       302.6931 122.1685 7.087383 133.9937 5.380705 -11.82517 
8.898482 
1 1 1 -20 11  5  o 51.07674 5.384613  566.4597       114.1739 612.2516       
177.6008 534.2045       149.0565 52.69402 8.027950 49.45945 7.178318 3.234573 
10.76923 
1 1 1 -20 11  6  o 49.65159 4.681307  528.7670       96.84396 594.5876       
148.5641 480.1308       127.7062 52.26428 6.770645 47.03890 6.466600 5.225376 
9.362615 
1 1 1 -20 11  7  o 61.23363 4.764488  824.0627       117.6664 789.2762       
192.8348 844.6982       148.5213 59.86279 7.672723 62.60448 5.650726 -2.741692 
9.528976 
1 1 1 -20 11  8  o 116.8639 4.026821  2966.354       190.0565 2879.259       
311.9752 3017.753       239.6635 115.0275 6.460104 118.7004 4.809179 -3.672874 
8.053642 
1 1 1 -20 11  9  o 54.29033 5.151278  641.1665       115.1664 690.0204       
184.0637 609.7366       147.6354 55.75910 7.862731 52.82155 6.657335 2.937553 
10.30256 
1 1 1 -20 11  10 o 86.65874 4.150205  1664.484       147.1510 1424.942       
223.8892 1846.653       195.2450 80.66936 6.610671 92.64813 5.019545 -11.97878 
8.300409 
1 1 1 -20 11  11 o 24.00159 6.630739  64.54944       99.95587 180.5690       
156.7511 -14.95632      129.7610 28.88895 10.26218 19.11422 8.399670 9.774729 
13.26148 
1 1 1 -20 11  12 o 51.40486 5.303078  613.9124       104.8273 534.7584       
172.5449 660.2206       131.9759 47.74435 8.938753 55.06538 5.708698 -7.321030 
10.60616 
1 1 1 -20 11  13 o 75.35504 3.618580  1230.072       112.9464 1233.311       
174.4584 1227.734       148.1962 75.24623 5.522403 75.46384 4.677558 
-0.2176132     7.237160 
1 1 1 -20 11  14 o 33.77295 6.967037  277.3246       103.5933 285.6821       
163.0799 271.6707       134.1320 34.03672 10.42926 33.50917 9.240609 0.5275421 
13.93407 
1 1 1 -20 11  15 o 68.04137 4.541473  1039.761       125.4573 989.4011       
201.6102 1071.585       160.2680 66.14574 7.259917 69.93699 5.458344 -3.791245 
9.082946 
1 1 1 -20 11  16 o 24.73938 6.775064  117.9571       101.1817 77.66821       
156.4828 146.9039       132.6400 23.60509 9.744968 25.87367 9.414966 -2.268583 
13.55013 
1 1 1 -20 11  17 f 59.33494 4.655746  785.0276       114.4099 856.4160       
179.7348 736.3965       148.3461 61.31355 6.982273 57.35633 6.160498 3.957214 
9.311491 
1 1 1 -20 11  18 o 102.1344 3.190966  2274.317       136.6086 2289.836       
199.1203 2260.517       187.7666 102.3594 4.633495 101.9093 4.388597 0.4501190 
6.381932 
1 1 1 -20 11  19 o 34.39520 6.023205  292.4055       85.98994 268.4041       
113.5736 324.6458       131.6311 32.89631 8.234577 35.89408 8.792482 -2.997768 
12.04641 
1 1 1 -20 11  20 o 17.99053 5.700773  -34.48648      92.46824 -116.6574      
133.2114 41.92463       128.4578 15.77285 7.476257 20.20822 8.608185 -4.435365 
11.40155 
1 1 1 -20 11  21 o 52.31033 4.761943  648.1857       102.3569 521.2585       
146.9702 767.7374       142.6363 46.61257 7.510126 58.00810 5.856827 -11.39553 
9.523887 
1 1 1 -20 11  22 o 46.36824 5.483068  554.3380       98.64035 403.8782       
150.0841 668.7520       130.8771 38.77134 9.321329 53.96515 5.776589 -15.19381 
10.96614 
1 1 1 -20 11  23 o 28.99344 5.877361  219.7104       95.08052 6.449824       
141.3025 396.1635       128.5313 18.93536 8.508809 39.05151 8.110095 -20.11615 
11.75472 
1 1 1 -20 11  24 o 22.83907 6.401715  122.6490       92.80116 201.5370       
140.5711 61.70750       123.5513 26.10032 9.667877 19.57781 8.394045 6.522509 
12.80343 
1 1 1 -20 11  25 o 17.30462 5.594325  -7.442616      91.50636 -2.299302      
134.6235 -11.85973      124.7580 17.68529 8.074068 16.92395 7.745663 0.7613411 
11.18865 
1 1 1 -20 12  1  o 20.96204 6.260350  23.62990       94.91209 45.55278       
129.1137 -2.144907      139.9978 21.53232 8.864690 20.39177 8.842239 1.140545 
12.52070 
1 1 1 -20 12  2  o 68.18062 4.608129  1039.034       123.6877 928.6431       
208.7186 1098.785       153.5553 64.83907 7.667351 71.52218 5.113816 -6.683113 
9.216257 
1 1 1 -20 12  3  o 20.27065 6.343637  -26.91522      106.0206 -51.60712      
163.5301 -9.011034      139.2508 20.42977 9.167678 20.11152 8.770439 0.3182507 
12.68727 
1 1 1 -20 12  4  o 21.92812 6.532725  7.724483       103.8209 101.9300       
160.5395 -59.99670      136.1150 25.61710 10.11923 18.23915 8.264814 7.377953 
13.06545 
1 1 1 -20 12  5  o 107.7867 3.574070  2506.732       160.7593 2366.830       
236.4353 2627.017       219.2339 104.8182 5.372751 110.7553 4.714812 -5.937103 
7.148140 
1 1 1 -20 12  6  o 19.60311 6.094186  -49.95757      96.69893 58.22610       
156.2439 -117.1218      123.1094 23.59618 9.739184 15.61004 7.328348 7.986139 
12.18837 
1 1 1 -20 12  7  o 35.53090 6.753580  308.5653       105.4559 213.2873       
166.0030 373.0323       136.5489 30.88839 10.60019 40.17341 8.371347 -9.285017 
13.50716 
1 1 1 -20 12  8  o 21.47394 6.233283  48.27664       90.23310 62.09221       
127.0294 34.20609       128.1963 22.03984 8.892518 20.90803 8.737184 1.131807 
12.46657 
1 1 1 -20 12  9  o 55.87750 4.802760  648.9045       109.4694 895.3163       
180.9735 506.7191       137.4713 63.78881 6.757586 47.96620 6.826494 15.82261 
9.605519 
1 1 1 -20 12  10 o 42.76675 6.080055  418.6506       103.9225 481.3904       
164.1493 376.6824       134.2542 45.28258 8.952908 40.25092 8.228834 5.031662 
12.16011 
1 1 1 -20 12  11 o 31.95034 6.438722  252.9964       101.7611 77.02338       
163.7455 363.7230       129.8889 24.39460 10.00291 39.50608 8.109893 -15.11148 
12.87744 
1 1 1 -20 12  12 o 43.21463 6.357673  442.7014       108.6156 426.2222       
183.5986 451.5740       134.7192 41.47873 10.52235 44.95054 7.138641 -3.471813 
12.71535 
1 1 1 -20 12  13 o 43.64459 6.114804  460.6058       106.7826 385.4904       
168.2351 511.2851       138.1870 39.45944 10.10973 47.82974 6.881614 -8.370296 
12.22961 
1 1 1 -20 12  14 o 18.94880 5.873211  -18.86963      92.47937 47.81746       
127.2608 -93.49295      134.6205 21.03983 8.743104 16.85777 7.844524 4.182062 
11.74642 
1 1 1 -20 12  15 o 46.75487 5.739643  505.8106       109.1798 559.9631       
169.5118 467.4195       142.7271 48.31873 8.670786 45.19100 7.522729 3.127731 
11.47929 
1 1 1 -20 12  16 o 26.17430 6.949769  146.6285       102.2952 169.2350       
158.4117 130.4588       133.9742 27.42735 10.24233 24.92126 9.396372 2.506086 
13.89954 
1 1 1 -20 12  17 o 47.76509 5.806029  577.5192       107.0621 385.0048       
162.8514 724.0601       142.0821 38.65995 9.971352 56.87023 5.950801 -18.21027 
11.61206 
1 1 1 -20 12  18 o 81.44824 3.471291  1462.234       118.5269 1374.762       
167.5719 1549.812       167.6729 78.88985 5.059423 84.00663 4.754123 -5.116776 
6.942582 
1 1 1 -20 12  19 o 62.87047 4.345406  901.5579       114.3437 858.1364       
165.2153 941.4771       158.4119 61.18116 6.432114 64.55978 5.844494 -3.378624 
8.690811 
1 1 1 -20 12  20 o 26.37199 6.724735  173.1002       95.42154 179.7802       
138.3757 167.0437       131.7601 26.73845 9.627493 26.00554 9.391466 0.7329159 
13.44947 
1 1 1 -20 12  21 o 34.88087 6.590838  325.1960       98.12730 334.1866       
144.9721 317.5941       133.3066 35.12695 9.571598 34.63480 9.063174 0.4921532 
13.18168 
1 1 1 -20 12  22 o 51.23630 4.980882  633.0795       107.1289 639.9058       
152.9906 626.5124       150.0582 51.47373 7.079462 50.99887 7.008420 0.4748611 
9.961763 
1 1 1 -20 12  23 f 22.04348 6.066841  95.07856       89.16061 201.1205       
125.1484 -14.22324      127.0575 26.70041 9.199855 17.38655 7.911316 9.313862 
12.13368 
1 1 1 -20 12  24 o 22.45553 6.279307  129.4801       89.57363 169.6964       
123.5014 84.84527       130.1093 24.37996 9.055642 20.53109 8.701387 3.848867 
12.55861 
1 1 1 -20 13  1  o 21.35635 6.495223  13.63136       104.5201 14.28730       
157.9995 13.12096       139.3737 21.95464 9.454903 20.75807 8.908226 1.196562 
12.99045 
1 1 1 -20 13  2  o 105.4007 3.615502  2415.547       158.5053 2188.996       
232.9068 2610.998       216.3307 100.5276 5.518462 110.2739 4.672685 -9.746323 
7.231003 
1 1 1 -20 13  3  o 136.7755 4.720263  4088.399       263.0070 4197.275       
428.5695 4022.623       333.1098 137.5107 7.423452 136.0403 5.832314 1.470352 
9.440526 
1 1 1 -20 13  4  f 40.96913 6.337818  386.8875       101.6260 416.8682       
175.1100 371.6613       124.7919 41.63821 10.10505 40.30006 7.652431 1.338154 
12.67564 
1 1 1 -20 13  5  f 38.74788 6.817943  359.7393       109.0966 347.3141       
172.8068 367.9735       140.6751 37.85474 10.50803 39.64102 8.690146 -1.786274 
13.63589 
1 1 1 -20 13  6  o 23.71077 6.583989  79.45283       101.4140 -21.09435      
157.5201 150.6344       132.5362 20.77502 9.181299 26.64651 9.439246 -5.871490 
13.16798 
1 1 1 -20 13  7  o 99.62787 3.646452  2179.710       143.6638 2035.500       
243.8201 2256.404       177.8078 96.54602 6.015284 102.7097 4.123447 -6.163689 
7.292904 
1 1 1 -20 13  8  o 38.09332 6.352286  320.0336       97.06987 451.2290       
165.8220 251.6387       119.7278 43.53253 9.342322 32.65411 8.609714 10.87841 
12.70457 
1 1 1 -20 13  9  f 44.37622 5.973755  505.5469       104.6466 253.8512       
160.8706 690.1807       137.7826 32.55150 10.42324 56.20095 5.839448 -23.64945 
11.94751 
1 1 1 -20 13  10 o 22.08464 6.367075  62.92439       92.92230 3.777745       
157.1840 94.70000       115.2099 21.36818 9.318274 22.80109 8.679193 -1.432911 
12.73415 
1 1 1 -20 13  11 o 59.99889 4.683419  801.0850       115.9935 791.5528       
180.2564 807.8215       151.5357 59.37628 7.231007 60.62150 5.954006 -1.245216 
9.366838 
1 1 1 -20 13  12 o 54.61077 4.943556  654.6642       111.8232 762.8146       
176.7042 582.4225       144.4198 58.16338 7.236330 51.05816 6.737249 7.105221 
9.887113 
1 1 1 -20 13  13 o 34.39660 6.899690  271.5808       106.7154 427.8036       
170.4329 170.8349       136.8658 41.45905 9.911510 27.33416 9.601294 14.12489 
13.79938 
1 1 1 -20 13  14 o 96.41818 4.046980  2059.901       158.1298 2033.158       
258.1417 2075.963       200.0588 95.25590 6.454867 97.58047 4.883327 -2.324570 
8.093961 
1 1 1 -20 13  15 o 44.45991 4.938709  437.2921       88.54452 565.0471       
141.9823 355.9845       113.2690 49.92968 6.773239 38.99013 7.189342 10.93956 
9.877419 
1 1 1 -20 13  16 o 28.61488 6.920130  199.9779       105.9484 103.7814       
161.8312 272.1372       140.1615 24.50867 9.979324 32.72110 9.589884 -8.212431 
13.84026 
1 1 1 -20 13  17 o 43.02184 6.279237  449.5215       108.6296 548.5616       
169.9855 381.1545       141.2308 46.98840 8.938966 39.05527 8.821007 7.933128 
12.55847 
1 1 1 -20 13  18 o 94.15837 3.864116  1983.411       152.6402 2008.081       
212.8073 1957.271       219.0602 94.89000 5.341794 93.42675 5.584873 1.463249 
7.728231 
1 1 1 -20 13  19 o 26.58213 6.698340  174.4632       94.73679 207.2029       
136.8905 144.3687       131.2439 28.29166 9.627279 24.87261 9.315929 3.419058 
13.39668 
1 1 1 -20 13  20 o 21.96714 6.382054  83.50030       94.66161 109.3286       
136.9902 59.89686       130.9570 23.12260 9.273742 20.81168 8.770413 2.310919 
12.76411 
1 1 1 -20 13  21 f 22.63494 6.116242  86.31712       91.75028 213.4804       
129.4343 -42.11218      130.0770 28.12095 9.361418 17.14894 7.873850 10.97202 
12.23248 
1 1 1 -20 13  22 o 38.28301 5.832055  386.4689       92.82183 452.7241       
128.3466 313.8141       134.4025 43.02187 7.105855 33.54416 9.249771 9.477703 
11.66411 
1 1 1 -20 13  23 o 18.04000 5.687160  12.97112       88.73684 56.07667       
123.7921 -32.58747      127.2657 19.38936 8.359806 16.69064 7.712897 2.698717 
11.37432 
1 1 1 -20 13  24 o 31.58524 6.525503  300.7244       92.82833 334.4641       
128.8021 264.2585       133.9047 33.90571 8.925573 29.26476 9.521706 4.640949 
13.05101 
1 1 1 -20 14  1  o 26.68180 7.034263  145.0859       105.8441 129.2471       
159.1269 157.6540       141.7482 26.26993 10.14662 27.09367 9.745228 
-0.8237438     14.06853 
1 1 1 -20 14  2  f 64.40066 4.528762  905.4848       120.9742 971.8702       
188.5700 859.0530       157.7046 66.19807 6.784976 62.60324 6.000239 3.594837 
9.057525 
1 1 1 -20 14  3  f 56.15096 4.477783  696.0346       104.4580 577.9215       
145.9485 820.0818       149.5699 51.04774 6.809956 61.25417 5.816070 -10.20642 
8.955566 
1 1 1 -20 14  4  o 88.64060 3.843923  1689.251       140.1319 1805.301       
224.6385 1615.322       179.2941 90.83595 5.890438 86.44525 4.940215 4.390701 
7.687846 
1 1 1 -20 14  5  o 90.25059 4.165229  1820.387       144.9764 1678.764       
256.2417 1887.067       175.8235 86.83102 7.029040 93.67016 4.470918 -6.839142 
8.330458 
1 1 1 -20 14  6  o 87.80308 4.371877  1706.057       154.6956 1653.431       
254.5885 1736.860       194.7767 86.13060 7.040483 89.47556 5.185058 -3.344955 
8.743753 
1 1 1 -20 14  7  o 29.10437 7.055525  186.6183       102.8114 242.9437       
162.6711 149.1541       132.6680 31.85452 10.49475 26.35422 9.433025 5.500303 
14.11105 
1 1 1 -20 14  8  o 85.74035 4.096954  1672.355       140.4990 1347.468       
220.8538 1893.225       182.0986 77.82092 6.759734 93.65978 4.630998 -15.83887 
8.193909 
1 1 1 -20 14  9  o 46.36895 5.960852  538.8064       107.8220 329.3686       
163.7137 699.2401       143.2865 36.41772 10.26670 56.32017 6.059856 -19.90245 
11.92170 
1 1 1 -20 14  10 o 32.27671 6.305730  255.7626       90.44431 189.8672       
135.1296 309.2394       121.7321 28.48509 9.565157 36.06834 8.219289 -7.583250 
12.61146 
1 1 1 -20 14  11 o 17.14187 5.669453  -133.3689      100.5927 -27.91146      
156.7205 -207.2563      131.1815 20.14399 9.008678 14.13975 6.885819 6.004243 
11.33891 
1 1 1 -20 14  12 o 23.31140 6.690342  69.89212       102.3071 143.2315       
159.9815 19.14796       133.0743 26.46168 10.18354 20.16112 8.679764 6.300558 
13.38068 
1 1 1 -20 14  13 o 47.36189 5.883352  542.4763       110.1706 476.3527       
173.1782 587.4308       142.7914 43.68407 9.697963 51.03969 6.663694 -7.355618 
11.76670 
1 1 1 -20 14  14 o 30.74589 7.049985  217.6748       104.3972 336.9196       
168.3654 143.1899       133.0660 36.00160 10.49750 25.49017 9.413374 10.51143 
14.09997 
1 1 1 -20 14  15 o 35.95894 7.107357  340.2542       112.0568 294.3496       
174.4234 372.5157       146.2243 33.39984 10.86724 38.51804 9.163033 -5.118202 
14.21471 
1 1 1 -20 14  16 o 42.40765 6.111160  425.8525       106.8488 622.6753       
165.9248 286.4079       139.6607 51.46290 7.679592 33.35240 9.508364 18.11050 
12.22232 
1 1 1 -20 14  17 o 70.91420 3.697252  1103.225       108.1454 1201.387       
172.2797 1039.391       138.9277 73.18159 5.607293 68.64680 4.820472 4.534798 
7.394504 
1 1 1 -20 14  18 o 39.00415 5.125150  363.3689       80.97025 258.6341       
110.9942 482.5080       118.3809 32.05938 8.210413 45.94893 6.136592 -13.88955 
10.25030 
1 1 1 -20 14  19 o 42.50479 5.381513  458.3359       90.22766 281.0527       
129.8952 623.6258       125.4245 32.63333 9.127357 52.37625 5.703865 -19.74292 
10.76303 
1 1 1 -20 14  20 o 21.59985 6.364541  77.82324       96.27518 56.93406       
137.0549 98.17187       135.2700 20.80720 8.878316 22.39251 9.121679 -1.585308 
12.72908 
1 1 1 -20 14  21 o 19.82489 6.068720  25.60674       96.49118 110.8182       
138.9742 -53.70393      134.0759 22.71359 9.247987 16.93619 7.860800 5.777399 
12.13744 
1 1 1 -20 14  22 o 16.88214 5.577976  -57.65052      98.82153 -86.79312      
141.5107 -29.91083      138.0626 16.28909 7.713711 17.47520 8.059400 -1.186110 
11.15595 
1 1 1 -20 14  23 o 18.85456 5.928177  2.576676       100.3260 -118.3784      
142.0081 123.1047       141.7571 15.42243 7.426456 22.28670 9.242342 -6.864267 
11.85635 
1 1 1 -20 15  1  o 31.08349 6.582441  225.7955       107.5785 44.21487       
159.3893 377.7246       145.7958 22.65717 9.618078 39.50981 8.989255 -16.85264 
13.16488 
1 1 1 -20 15  2  o 24.60686 6.778769  78.66688       104.1317 206.4609       
164.5828 -6.639614      134.4684 29.75489 10.52089 19.45883 8.550892 10.29606 
13.55754 
1 1 1 -20 15  3  o 87.29707 4.042396  1679.041       146.7051 1632.321       
221.4506 1715.582       195.8455 85.91496 6.139446 88.67920 5.260330 -2.764244 
8.084792 
1 1 1 -20 15  4  o 52.07652 5.610151  637.0556       115.1925 572.0571       
181.8199 680.6392       148.8852 48.79515 9.211797 55.35789 6.406091 -6.562744 
11.22030 
1 1 1 -20 15  5  o 102.2581 3.887383  2290.821       166.3213 2061.471       
233.2112 2528.220       237.2689 96.85980 5.734913 107.6564 5.249548 -10.79665 
7.774765 
1 1 1 -20 15  6  o 29.01022 6.937007  188.7004       98.31966 248.0196       
160.4154 153.0094       124.4308 31.84878 10.42173 26.17167 9.158371 5.677107 
13.87401 
1 1 1 -20 15  7  o 36.51787 5.962209  326.7838       90.43716 246.6821       
133.9535 393.8770       122.5949 31.81603 9.391247 41.21971 7.348213 -9.403683 
11.92442 
1 1 1 -20 15  8  o 16.64352 5.257579  -136.9492      86.25784 70.46658       
124.9369 -325.8702      119.2367 21.87667 8.822155 11.41037 5.721725 10.46629 
10.51516 
1 1 1 -20 15  9  o 29.32534 6.988560  207.5669       102.2668 173.8468       
161.0507 230.3504       132.3818 27.95018 10.34917 30.70051 9.394392 -2.750332 
13.97712 
1 1 1 -20 15  10 o 27.27972 7.047433  159.6435       103.2597 211.5857       
166.2591 127.0255       131.7509 29.75242 10.56884 24.80702 9.325492 4.945404 
14.09487 
1 1 1 -20 15  11 o 30.12690 6.873805  220.5027       95.78777 227.8898       
165.3747 216.7732       117.5060 30.43627 10.56699 29.81753 8.794064 0.6187382 
13.74761 
1 1 1 -20 15  12 o 60.10779 5.070418  852.7612       122.7992 651.9257       
183.3980 1015.978       165.3321 52.63339 8.299546 67.58218 5.827014 -14.94880 
10.14084 
1 1 1 -20 15  13 o 66.84151 4.657085  1028.775       126.8543 930.3244       
198.1978 1097.091       165.1013 63.39783 7.446385 70.28519 5.595098 -6.887352 
9.314171 
1 1 1 -20 15  14 o 20.41770 6.340924  10.40679       102.8510 24.12241       
160.8504 0.9205038      133.7712 21.54787 9.411195 19.28752 8.500512 2.260349 
12.68185 
1 1 1 -20 15  15 o 46.25488 6.053948  537.2877       111.2080 450.9196       
173.2390 597.8239       145.0363 41.52210 10.03472 50.98766 6.775365 -9.465557 
12.10790 
1 1 1 -20 15  16 o 33.04520 6.370618  297.0152       107.1596 75.72459       
168.3921 447.6206       138.9186 23.31543 9.891152 42.77497 8.031451 -19.45954 
12.74124 
1 1 1 -20 15  17 o 29.74762 6.999853  215.4001       107.1633 350.0361       
163.4786 113.9548       141.9045 35.79249 10.31430 23.70276 9.466099 12.08974 
13.99971 
1 1 1 -20 15  18 o 36.52594 7.134330  366.8289       111.6871 360.2322       
180.8302 370.8974       142.0116 35.39603 11.01001 37.65586 9.076028 -2.259834 
14.26866 
1 1 1 -20 15  19 o 19.59389 6.064782  24.70569       95.15250 42.50428       
137.8643 8.514049       131.4936 20.34026 8.796597 18.84751 8.351418 1.492750 
12.12956 
1 1 1 -20 15  20 o 27.15579 6.901976  200.9613       100.9841 234.4324       
144.1407 168.6956       141.5215 28.84252 9.878935 25.46906 9.641355 3.373461 
13.80395 
1 1 1 -20 15  21 o 37.27845 6.242682  377.8039       105.6400 583.8295       
156.0245 203.4081       143.5490 47.91884 7.755458 26.63806 9.784536 21.28078 
12.48536 
1 1 1 -20 15  22 o 45.74189 5.893158  565.1490       110.4594 522.1229       
156.0768 608.3259       156.3499 43.12550 8.922535 48.35828 7.701013 -5.232773 
11.78632 
1 1 1 -20 15  23 o 43.47305 8.556712  679.6423       161.6225 680.6275       
251.8632 678.9528       210.7342 41.45536 13.01364 45.49075 11.11370 -4.035389 
17.11342 
1 1 1 -20 16  1  o 17.37387 5.685211  -74.66562      95.38281 -90.52607      
156.2800 -65.25018      120.4108 18.30737 8.493206 16.44038 7.559891 1.866989 
11.37042 
1 1 1 -20 16  2  o 71.32720 4.784142  1165.382       140.1945 1039.801       
213.2008 1261.049       186.0840 67.27631 7.548275 75.37810 5.880104 -8.101791 
9.568285 
1 1 1 -20 16  3  o 57.42626 5.298192  793.1633       117.3054 573.1139       
176.0814 968.7593       157.2935 48.63526 8.959392 66.21727 5.657971 -17.58201 
10.59638 
1 1 1 -20 16  4  o 42.18738 6.530117  429.8118       111.6789 505.0324       
171.8448 374.8148       146.9391 45.33675 9.347696 39.03801 9.120870 6.298744 
13.06023 
1 1 1 -20 16  5  f 31.10831 7.097397  225.2505       107.2540 333.8214       
166.3159 147.9532       140.3328 36.13158 10.40062 26.08505 9.660187 10.04652 
14.19479 
1 1 1 -20 16  6  o 57.76406 5.025979  766.9144       119.7109 700.0771       
181.4904 818.3878       159.2709 55.01840 7.857183 60.50972 6.269493 -5.491318 
10.05196 
1 1 1 -20 16  7  o 59.30271 4.965968  797.8168       121.5289 805.5328       
189.9137 792.4662       158.1493 59.12342 7.650993 59.48199 6.332901 
-0.3585663     9.931935 
1 1 1 -20 16  8  o 48.79644 5.491471  536.7572       109.7006 618.5783       
180.2161 488.5930       138.2685 51.30624 8.366514 46.28663 7.115227 5.019608 
10.98294 
1 1 1 -20 16  9  o 76.99810 4.755490  1400.850       144.8625 1099.625       
229.2779 1600.996       186.8918 68.67437 7.952223 85.32183 5.217363 -16.64746 
9.510980 
1 1 1 -20 16  10 o 36.02279 6.764950  336.7432       104.8479 274.4476       
165.1405 378.8127       135.7090 32.61752 10.57237 39.42805 8.442936 -6.810532 
13.52990 
1 1 1 -20 16  11 f 33.78936 6.520004  311.1002       109.6932 88.27617       
179.8804 443.0183       138.4061 24.60816 10.32023 42.97057 7.970859 -18.36241 
13.04001 
1 1 1 -20 16  12 o 86.79386 4.648490  1766.854       157.5301 1542.776       
265.9218 1888.004       195.5318 81.01738 7.818020 92.57034 5.031143 -11.55296 
9.296980 
1 1 1 -20 16  13 o 25.70286 6.966502  145.7840       104.0093 142.6693       
164.3230 147.8660       134.3463 25.93954 10.24057 25.46618 9.447714 0.4733639 
13.93300 
1 1 1 -20 16  14 o 30.65525 7.123921  244.9091       104.9499 249.3882       
165.2751 241.8827       135.8555 30.73178 10.57396 30.57872 9.549469 0.1530609 
14.24784 
1 1 1 -20 16  15 o 45.99025 6.236705  517.4842       113.5145 605.3665       
185.0926 464.5028       143.7143 48.58301 9.410438 43.39749 8.187163 5.185524 
12.47341 
1 1 1 -20 16  16 f 35.01757 7.158900  326.0921       109.6484 385.4465       
173.0725 286.2956       141.7177 37.27822 10.57116 32.75692 9.656598 4.521294 
14.31780 
1 1 1 -20 16  17 o 53.22824 5.030388  643.1622       108.3897 788.7628       
184.9746 567.0262       133.7596 57.06721 7.720520 49.38927 6.450799 7.677933 
10.06078 
1 1 1 -20 16  18 o 32.29329 7.259884  289.5138       107.8365 319.2100       
179.9572 272.8762       134.6990 32.90470 11.03828 31.68187 9.432922 1.222828 
14.51977 
1 1 1 -20 16  19 o 16.92581 5.442672  -46.45813      86.29824 42.31202       
128.1985 -120.0166      116.6987 19.65198 8.490565 14.19965 6.811831 5.452332 
10.88534 
1 1 1 -20 16  20 o 28.58316 5.590858  216.0877       81.65565 63.31625       
117.7996 357.3849       113.2895 19.73448 8.317397 37.43184 7.473398 -17.69736 
11.18172 
1 1 1 -20 16  21 o 37.55087 6.266585  398.6552       96.97075 385.5642       
145.1311 409.2128       130.3339 36.25489 9.442457 38.84686 8.241381 -2.591976 
12.53317 
1 1 1 -20 16  22 o 19.85739 6.631028  -28.37821      146.2691 -129.7693      
241.7127 30.20146       183.7270 19.34467 9.400414 20.37011 9.354912 -1.025440 
13.26206 
1 1 1 -20 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 17  2  o 25.23251 7.334049  109.6009       125.4204 74.88811       
185.9487 138.5738       169.8808 24.34676 10.36354 26.11826 10.38027 -1.771496 
14.66810 
1 1 1 -20 17  3  o 36.28492 6.284426  347.3014       109.7917 119.1926       
168.5777 515.3309       144.6845 25.33340 10.23470 47.23645 7.295680 -21.90305 
12.56885 
1 1 1 -20 17  4  o 19.96337 6.251775  -24.69049      104.2990 66.56126       
160.2638 -91.73412      137.3705 23.05133 9.707682 16.87540 7.880334 6.175922 
12.50355 
1 1 1 -20 17  5  o 26.53717 6.767028  152.6860       105.8172 26.17586       
160.3893 250.1956       140.8110 21.67619 9.432696 31.39814 9.705407 -9.721947 
13.53406 
1 1 1 -20 17  6  o 40.23361 6.700257  401.6047       110.3731 467.4821       
171.4099 354.9434       144.2600 42.89080 9.739035 37.57643 9.204618 5.314365 
13.40051 
1 1 1 -20 17  7  o 50.30659 4.733734  568.0605       99.24001 661.8656       
151.2063 497.0761       131.5341 53.90945 6.680764 46.70372 6.708230 7.205727 
9.467468 
1 1 1 -20 17  8  o 20.84178 6.288784  24.81198       101.9653 -79.10104      
158.4110 98.32133       133.2360 18.54364 8.582883 23.13992 9.193982 -4.596273 
12.57757 
1 1 1 -20 17  9  o 60.65191 4.690445  839.8240       117.0645 836.0911       
183.7238 842.3754       151.8903 60.03428 7.289325 61.26955 5.904815 -1.235275 
9.380890 
1 1 1 -20 17  10 o 21.14637 6.419513  9.814565       103.2015 122.2222       
163.3898 -64.79755      133.1164 25.09939 10.10246 17.19334 7.923440 7.906042 
12.83903 
1 1 1 -20 17  11 o 53.63478 5.239970  680.5999       115.3632 625.9653       
177.2728 720.7342       151.9379 51.06774 8.268306 56.20182 6.439275 -5.134079 
10.47994 
1 1 1 -20 17  12 o 49.95945 6.127923  632.3260       121.2395 492.2550       
181.5063 745.1704       162.9137 43.15654 10.17209 56.76236 6.836256 -13.60582 
12.25585 
1 1 1 -20 17  13 o 23.01043 6.667860  89.61603       105.1528 20.55492       
167.1900 134.8127       135.2530 21.44088 9.469379 24.57999 9.390009 -3.139112 
13.33572 
1 1 1 -20 17  14 o 43.34314 6.482303  471.0987       112.4021 557.4072       
179.8741 415.8039       143.9741 46.23538 9.588202 40.45090 8.726246 5.784473 
12.96461 
1 1 1 -20 17  15 o 56.41785 5.059428  775.0335       111.7251 674.2166       
186.1860 831.7645       139.6659 52.13545 8.506188 60.70025 5.480511 -8.564800 
10.11886 
1 1 1 -20 17  16 o 25.47196 6.871722  157.3859       104.9395 98.20396       
161.3977 200.7278       138.1201 23.36686 9.786559 27.57706 9.649120 -4.210203 
13.74344 
1 1 1 -20 17  17 o 23.29537 6.281441  99.42244       93.07816 222.9331       
136.6379 -7.513350      127.1395 28.58507 9.618393 18.00567 8.081617 10.57940 
12.56288 
1 1 1 -20 17  18 o 16.35463 5.548418  -136.0578      104.7015 -80.60709      
173.0589 -168.0730      131.4979 18.43942 8.663610 14.26983 6.934090 4.169587 
11.09684 
1 1 1 -20 17  19 o 18.23642 5.798963  -12.77694      96.91834 -107.4594      
142.1733 69.41901       132.4673 15.96842 7.626057 20.50441 8.738143 -4.535986 
11.59793 
1 1 1 -20 17  20 o 41.18794 6.102920  466.6461       102.0188 497.6313       
149.5140 439.6518       139.5531 42.44727 8.689464 39.92861 8.571799 2.518665 
12.20584 
1 1 1 -20 17  21 o 22.10314 7.166337  36.52003       144.8156 228.5588       
238.8045 -75.17705      182.1247 26.08870 11.43015 18.11758 8.647388 7.971117 
14.33267 
1 1 1 -20 18  1  o 20.06686 6.579747  -77.71554      133.7126 -183.1599      
212.0468 -8.110136      172.2827 19.23559 9.216662 20.89814 9.392838 -1.662548 
13.15949 
1 1 1 -20 18  2  o 57.69783 5.913329  800.7657       142.7835 866.7038       
212.5701 746.5583       192.7363 59.74678 8.474398 55.64888 8.249511 4.097897 
11.82666 
1 1 1 -20 18  3  o 34.19975 7.670743  248.4851       144.5724 12.52509       
187.1422 597.7404       227.6795 22.23773 9.897287 46.16175 11.72198 -23.92402 
15.34149 
1 1 1 -20 18  4  o 50.16083 6.102407  631.4938       121.8292 481.4538       
177.7166 764.5188       167.3367 42.85322 10.04267 57.46844 6.935580 -14.61522 
12.20481 
1 1 1 -20 18  5  o 38.53336 6.110256  374.7911       100.0622 487.3409       
139.9677 257.1424       143.1031 45.66044 7.301446 31.40628 9.799479 14.25416 
12.22051 
1 1 1 -20 18  6  o 19.46506 6.188514  -19.70642      105.2066 -3.499585      
158.1101 -32.58362      140.9357 20.38718 9.084783 18.54295 8.405805 1.844231 
12.37703 
1 1 1 -20 18  7  o 54.29615 5.411070  683.3741       122.1373 809.3755       
188.9660 592.9669       160.0656 58.47541 7.697176 50.11689 7.607378 8.358513 
10.82214 
1 1 1 -20 18  8  o 69.18556 4.383783  1096.833       123.7615 1048.893       
196.3141 1128.453       159.4353 67.22940 6.955260 71.14172 5.338031 -3.912315 
8.767567 
1 1 1 -20 18  9  o 49.07014 6.116342  612.6409       117.3744 511.5028       
186.0546 679.5020       151.2759 43.84215 10.27629 54.29813 6.635994 -10.45597 
12.23268 
1 1 1 -20 18  10 o 50.84001 5.628094  657.8450       108.0248 496.8377       
173.5295 759.7176       138.0319 43.60342 9.729026 58.07659 5.661080 -14.47317 
11.25619 
1 1 1 -20 18  11 o 29.02296 6.554223  145.2074       107.5883 431.6001       
172.0871 -38.56724      137.8511 39.99847 10.21120 18.04745 8.219650 21.95103 
13.10845 
1 1 1 -20 18  12 o 33.70216 6.584734  317.2603       108.0940 138.8497       
169.1115 440.5047       140.5551 25.39362 10.25425 42.01071 8.263491 -16.61709 
13.16947 
1 1 1 -20 18  13 o 19.43398 6.159163  -8.217668      105.1937 -76.04671      
164.3900 38.81578       136.8897 18.52519 8.639025 20.34277 8.781141 -1.817583 
12.31833 
1 1 1 -20 18  14 o 24.34072 6.089916  113.4783       100.6710 -153.3659      
167.1915 265.2528       126.0912 17.02745 8.164751 31.65400 9.037983 -14.62655 
12.17983 
1 1 1 -20 18  15 o 36.56791 7.093400  365.3962       111.6653 441.7666       
171.4902 309.1809       147.1310 39.74238 10.22176 33.39344 9.837727 6.348946 
14.18680 
1 1 1 -20 18  16 o 43.39647 5.691964  478.3663       99.88735 502.8386       
144.2503 455.8219       138.4521 44.51490 8.010315 42.27804 8.088799 2.236866 
11.38393 
1 1 1 -20 18  17 o 75.22441 4.355960  1331.127       134.4813 1348.509       
213.2060 1319.643       173.3051 74.73595 6.795024 75.71288 5.452084 
-0.9769363     8.711921 
1 1 1 -20 18  18 o 21.99285 6.591577  96.95676       107.5023 26.48287       
175.8873 138.9829       135.8251 20.60942 9.359187 23.37628 9.284459 -2.766863 
13.18315 
1 1 1 -20 18  19 o 41.61091 5.880118  469.2184       100.5405 339.8802       
138.3572 613.9333       146.3506 33.87648 9.402060 49.34535 7.064306 -15.46887 
11.76024 
1 1 1 -20 18  20 o 32.83941 8.630478  418.3158       156.1103 491.7675       
248.2706 370.2838       200.7658 34.11544 12.80600 31.56338 11.57354 2.552057 
17.26096 
1 1 1 -20 19  1  o 31.25372 7.468805  262.8250       128.0470 111.8159       
183.7038 405.5225       178.5766 24.63409 10.38472 37.87334 10.73731 -13.23924 
14.93761 
1 1 1 -20 19  2  f 31.15491 7.878382  263.2734       129.5611 344.3306       
201.8339 206.4641       168.9694 34.16021 11.68999 28.14960 10.56503 6.010609 
15.75676 
1 1 1 -20 19  3  o 27.04007 7.340276  179.4690       114.7355 187.7428       
186.2774 174.4112       145.6414 27.58003 10.89847 26.50012 9.835746 1.079916 
14.68055 
1 1 1 -20 19  4  o 26.44595 10.70826  157.6468       185.1221 0.000000       
0.000000 157.6468       185.1221 ?        ?        26.44595 10.70826 ? ? 
1 1 1 -20 19  5  o 29.68047 7.574676  223.3451       120.0036 318.7493       
191.2698 161.4109       154.1090 33.33239 11.37994 26.02854 9.999989 7.303843 
15.14935 
1 1 1 -20 19  6  o 32.54897 7.146280  291.0297       109.9178 238.3147       
164.0758 333.9503       148.0508 29.74524 10.50596 35.35269 9.690305 -5.607445 
14.29256 
1 1 1 -20 19  7  o 50.77427 5.635130  620.9940       119.3855 662.1896       
180.8988 589.2069       158.9045 51.97680 8.289861 49.57174 7.635247 2.405056 
11.27026 
1 1 1 -20 19  8  o 23.96778 6.473210  121.3807       94.60381 189.3188       
132.9502 51.69854       134.6459 27.17775 9.470869 20.75782 8.826803 6.419930 
12.94642 
1 1 1 -20 19  9  o 31.07453 7.292408  256.9741       108.5969 311.5555       
176.3342 223.6229       137.8383 33.10973 10.92660 29.03932 9.660550 4.070415 
14.58482 
1 1 1 -20 19  10 o 22.07310 6.566469  49.93651       103.8099 162.4495       
164.7840 -24.09874      133.6697 26.08151 10.26813 18.06470 8.187773 8.016817 
13.13294 
1 1 1 -20 19  11 o 48.95254 6.017742  636.2822       113.9265 418.1012       
171.7682 807.6475       152.2285 38.72763 10.35908 59.17745 6.127181 -20.44982 
12.03548 
1 1 1 -20 19  12 o 63.83135 4.138265  939.8729       110.0995 862.6165       
160.3060 1008.854       151.4773 60.93677 6.266013 66.72594 5.407219 -5.789165 
8.276529 
1 1 1 -20 19  13 o 60.69941 4.915280  851.2239       121.2207 997.6241       
203.5573 770.7759       150.8945 63.91116 7.586317 57.48765 6.252015 6.423508 
9.830560 
1 1 1 -20 19  14 f 33.45544 7.312356  321.3069       111.6192 349.0917       
174.9160 302.2205       144.9735 34.15784 10.86180 32.75304 9.793036 1.404808 
14.62471 
1 1 1 -20 19  15 o 37.89531 7.104327  413.0149       114.3050 415.0808       
175.3408 411.4881       150.7379 37.23264 10.66655 38.55798 9.386719 -1.325344 
14.20865 
1 1 1 -20 19  16 o 29.81880 6.347110  256.6686       89.77716 184.0116       
138.0067 309.9743       118.2083 25.69737 9.567155 33.94023 8.343428 -8.242861 
12.69422 
1 1 1 -20 19  17 o 27.28406 7.082895  179.7693       110.8009 400.5735       
184.3148 54.82042       138.6508 34.63972 11.16347 19.92840 8.720469 14.71132 
14.16579 
1 1 1 -20 19  18 o 39.88226 7.202963  459.5715       118.4037 658.0715       
199.6298 351.8451       147.0640 45.94381 10.56382 33.82071 9.794720 12.12310 
14.40593 
1 1 1 -20 19  19 o 59.32697 8.938981  992.2256       222.6482 0.000000       
0.000000 992.2256       222.6482 ?        ?        59.32697 8.938981 ? ? 
1 1 1 -20 20  1  o 29.05869 7.475939  195.4422       124.5905 420.0843       
201.4571 56.30550       158.5470 36.63754 11.65743 21.47985 9.362857 15.15769 
14.95188 
1 1 1 -20 20  2  o 45.81777 6.305115  490.3329       114.6504 799.8627       
201.8609 342.9333       139.2993 56.04045 8.579693 35.59509 9.241579 20.44537 
12.61023 
1 1 1 -20 20  3  o 27.84350 7.295122  163.7839       111.9864 367.1995       
196.9663 66.61975       136.1297 34.59857 11.54816 21.08842 8.917130 13.51014 
14.59024 
1 1 1 -20 20  4  o 24.43667 7.007377  133.1253       111.6550 92.31812       
187.0648 155.7093       139.1631 23.77201 10.26328 25.10133 9.543504 -1.329317 
14.01475 
1 1 1 -20 20  5  o 19.60932 6.287894  -54.58349      115.8514 90.82950       
172.2293 -174.7498      156.5658 23.30627 9.948878 15.91237 7.692220 7.393899 
12.57579 
1 1 1 -20 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -20 20  7  o 30.07769 7.408630  256.3424       114.7878 241.6447       
174.8203 267.4814       152.1911 29.28548 10.79385 30.86989 10.15106 -1.584414 
14.81726 
1 1 1 -20 20  8  o 23.96199 6.538992  110.5686       107.0688 -59.53780      
165.1408 233.9291       140.6313 18.73731 8.707261 29.18666 9.757935 -10.44936 
13.07798 
1 1 1 -20 20  9  o 31.78238 6.743556  289.9002       100.5013 209.3740       
168.8733 334.0619       125.0590 27.71644 10.52023 35.84831 8.439604 -8.131874 
13.48711 
1 1 1 -20 20  10 o 25.05466 6.928471  155.1044       105.5357 133.9021       
166.2605 169.4122       136.5790 24.49676 10.06792 25.61256 9.521128 -1.115801 
13.85694 
1 1 1 -20 20  11 o 62.93847 5.009398  949.7169       130.7930 1013.974       
203.1138 904.1966       170.9541 64.19395 7.536443 61.68299 6.601387 2.510967 
10.01880 
1 1 1 -20 20  12 o 21.30525 6.521510  56.37824       105.8347 112.3950       
166.7687 18.60518       136.9452 23.43923 9.888399 19.17127 8.505287 4.267962 
13.04302 
1 1 1 -20 20  13 o 23.51747 6.392382  129.6654       99.68327 -17.32602      
164.9436 214.2427       125.1170 19.33668 8.873398 27.69826 9.203965 -8.361584 
12.78476 
1 1 1 -20 20  14 o 40.91193 6.677571  464.7155       112.0141 572.5912       
171.7241 384.8234       147.7820 45.25705 9.355766 36.56680 9.530449 8.690247 
13.35514 
1 1 1 -20 20  15 o 28.42813 6.609000  236.4589       110.4740 35.40413       
168.3423 388.5403       146.4111 20.37832 9.214941 36.47795 9.476306 -16.09963 
13.21800 
1 1 1 -20 20  16 o 61.18958 4.676025  927.2147       120.1248 929.0198       
169.9634 925.4131       169.8011 61.25453 6.609037 61.12464 6.616758 0.1298904 
9.352051 
1 1 1 -20 20  17 o 40.30579 7.014888  460.4545       115.8526 687.3467       
195.9919 338.5983       143.6323 47.50068 10.12759 33.11092 9.709096 14.38976 
14.02978 
1 1 1 -20 21  1  o 22.03174 6.725544  49.23700       110.8428 230.5469       
189.3721 -45.25031      136.7073 27.12553 10.89343 16.93795 7.890812 10.18758 
13.45109 
1 1 1 -20 21  2  o 32.81431 7.248365  344.3048       115.2470 264.1640       
194.4242 387.7170       143.0966 28.60064 11.18070 37.02798 9.227526 -8.427340 
14.49673 
1 1 1 -20 21  3  o 44.59814 6.650424  478.1658       120.7426 905.8561       
216.7246 285.6663       145.3980 58.16161 8.875500 31.03466 9.906465 27.12695 
13.30085 
1 1 1 -20 21  4  f 22.49264 6.572866  99.61407       109.0250 -41.22064      
182.3962 177.9058       135.9937 19.47645 9.089309 25.50883 9.497090 -6.032381 
13.14573 
1 1 1 -20 21  5  o 48.76910 6.841591  616.4126       135.6435 977.0576       
223.0871 404.8778       170.8541 60.88425 8.727512 36.65395 10.53850 24.23030 
13.68318 
1 1 1 -20 21  6  o 17.23465 5.721613  -86.13853      108.4574 -203.2393      
167.9881 -2.437866      142.0244 15.82074 7.720103 18.64857 8.446742 -2.827833 
11.44323 
1 1 1 -20 21  7  o 28.52481 7.469298  238.9792       119.6697 301.3442       
176.2885 185.6803       162.9720 31.06609 10.89815 25.98353 10.21724 5.082556 
14.93860 
1 1 1 -20 21  8  o 42.25738 10.45888  527.6783       184.7915 527.6783       
184.7915 0.000000       0.000000 42.25738 10.45888 ?        ?        ? ? 
1 1 1 -20 21  9  o 21.27496 6.356884  5.949578       103.5526 229.3273       
168.6742 -129.1663      131.1843 27.69751 10.51374 14.85240 7.148505 12.84511 
12.71377 
1 1 1 -20 21  10 o 30.24997 6.803062  278.5149       109.2337 131.9411       
169.1539 383.3595       143.0629 23.67550 9.972052 36.82445 9.256610 -13.14895 
13.60612 
1 1 1 -20 21  11 o 60.59645 4.407227  881.8739       112.0725 899.0268       
161.3925 865.9001       155.7472 61.09138 6.292517 60.10153 6.172423 0.9898529 
8.814453 
1 1 1 -20 21  12 o 31.50408 7.175547  312.7329       108.7430 287.7460       
169.0397 330.3737       142.0335 29.73381 10.64734 33.27435 9.622265 -3.540539 
14.35109 
1 1 1 -20 21  13 o 47.23748 6.447284  655.9037       120.7843 486.1851       
186.4166 778.7072       158.5714 38.50772 10.98757 55.96724 6.748574 -17.45952 
12.89457 
1 1 1 -20 21  14 o 25.29622 6.526307  172.2625       109.2782 -32.12005      
168.7931 319.7410       143.3828 18.48054 8.658784 32.11191 9.767097 -13.63137 
13.05261 
1 1 1 -20 21  15 f 25.18886 6.874587  192.8470       102.4204 182.6811       
168.3311 198.8228       129.0587 24.66258 10.13229 25.71515 9.293893 -1.052568 
13.74917 
1 1 1 -20 22  1  o 29.50548 7.481267  286.9832       114.7937 338.2415       
189.7853 257.4107       144.1532 30.58908 11.24906 28.42188 9.865904 2.167194 
14.96253 
1 1 1 -20 22  2  o 19.28399 6.308411  -2.441040      116.5720 62.09361       
188.5974 -42.33936      148.2915 21.26850 9.667255 17.29949 8.107303 3.969006 
12.61682 
1 1 1 -20 22  3  o 27.89383 6.709759  249.0024       111.2088 61.40013       
183.0470 358.7603       140.0108 21.15225 9.584612 34.63540 9.392481 -13.48316 
13.41952 
1 1 1 -20 22  4  o 33.20386 7.451590  334.6392       117.1806 524.7170       
193.0053 223.6680       147.4717 39.65916 11.13671 26.74855 9.903461 12.91061 
14.90318 
1 1 1 -20 22  5  o 29.57735 7.450524  288.8734       116.5701 321.0345       
172.5824 261.8901       158.0807 30.74609 10.78326 28.40860 10.28409 2.337488 
14.90105 
1 1 1 -20 22  6  o 31.81894 7.684376  337.3452       123.6755 418.0847       
185.8472 273.1698       165.6904 34.87945 11.20668 28.75844 10.51707 6.121014 
15.36875 
1 1 1 -20 22  7  o 22.04753 6.786554  102.0116       117.1557 120.2061       
172.8504 86.55033       159.3396 22.71980 9.838019 21.37527 9.351076 1.344536 
13.57311 
1 1 1 -20 22  8  o 22.97487 6.651649  131.4616       108.0050 35.22182       
163.6083 205.7962       143.7882 19.96694 9.053745 25.98281 9.747176 -6.015873 
13.30330 
1 1 1 -20 22  9  o 19.83389 6.220348  13.32409       103.0903 164.0989       
166.0223 -81.29055      131.5168 24.09189 9.997236 15.57589 7.404472 8.516008 
12.44070 
1 1 1 -20 22  10 o 22.13677 6.555360  52.62196       117.4599 268.0346       
168.7560 -149.8073      163.5913 28.28987 10.57006 15.98367 7.756597 12.30619 
13.11072 
1 1 1 -20 22  11 o 23.31738 6.669415  127.0861       95.41571 243.8493       
170.6872 74.01404       115.0749 27.10064 10.50019 19.53412 8.226206 7.566525 
13.33883 
1 1 1 -20 22  12 o 23.77550 6.765980  141.7708       101.5720 252.2334       
168.1571 78.31676       127.4492 27.47929 10.47809 20.07172 8.562922 7.407572 
13.53196 
1 1 1 -19 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -31 1  o 27.04857 4.829989  181.1128       52.96934 177.6235       
65.23750 187.8637       90.74251 27.17137 5.884841 26.92578 7.660537 0.2455940 
9.659979 
1 1 1 -19 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -30 1  o 34.43922 4.319339  280.6848       58.53716 291.2166       
74.24137 263.3776       95.17120 36.10292 4.898067 32.77552 7.115876 3.327404 
8.638678 
1 1 1 -19 -30 2  o 22.75816 4.905139  121.6693       50.29647 98.59174       
64.10530 158.6244       81.12163 20.35996 6.585858 25.15636 7.271040 -4.796400 
9.810278 
1 1 1 -19 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -29 1  o 34.87202 4.640717  311.6757       62.34907 384.6742       
79.47260 194.8232       100.5494 41.82186 4.526215 27.92218 8.102986 13.89968 
9.281433 
1 1 1 -19 -29 2  o 22.66243 5.262431  103.6508       57.66245 57.84768       
70.92287 192.9674       99.03874 17.66176 6.784361 27.66311 8.046437 -10.00134 
10.52486 
1 1 1 -19 -29 3  o 17.15721 4.790224  43.32735       49.86739 21.69737       
62.79845 80.24747       82.04504 14.73907 6.134348 19.57534 7.358991 -4.836274 
9.580448 
1 1 1 -19 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -28 1  o 17.06607 5.019225  30.21663       58.82331 43.96355       
74.56347 7.560671       95.72265 17.21504 6.865946 16.91709 7.323201 0.2979450 
10.03845 
1 1 1 -19 -28 2  o 53.60063 3.249898  628.6271       70.33196 622.6117       
88.09932 639.1980       116.7867 53.57146 3.917059 53.62980 5.186905 
-0.5834198E-01 6.499795 
1 1 1 -19 -28 3  o 27.76800 4.743995  179.1028       54.63723 138.7093       
71.21170 236.9123       85.19134 24.02763 6.770347 31.50837 6.647131 -7.480743 
9.487989 
1 1 1 -19 -28 4  o 30.13946 4.428758  205.8139       55.30803 137.0089       
72.36182 302.4831       85.77153 23.76239 6.866964 36.51652 5.594675 -12.75413 
8.857515 
1 1 1 -19 -28 5  o 22.04873 5.137539  105.0570       71.05604 205.6852       
88.07213 -82.57851      120.2641 28.68554 7.294290 15.41192 7.236752 13.27362 
10.27508 
1 1 1 -19 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -27 1  o 23.07473 6.021425  106.5594       79.43691 57.40375       
113.4325 153.8670       111.2799 20.46739 8.347809 25.68207 8.680111 -5.214678 
12.04285 
1 1 1 -19 -27 2  o 32.34637 5.590642  258.8083       78.52098 159.6712       
112.6416 352.5186       109.5153 25.92039 8.733057 38.77235 6.982467 -12.85196 
11.18128 
1 1 1 -19 -27 3  o 58.90824 5.314814  770.8321       131.4447 0.000000       
0.000000 770.8321       131.4447 ?        ?        58.90824 5.314814 ? ? 
1 1 1 -19 -27 4  o 36.69372 4.915922  321.4108       73.44852 273.3417       
107.1738 363.9810       100.8575 33.33177 7.790761 40.05566 5.997433 -6.723892 
9.831844 
1 1 1 -19 -27 5  o 29.00618 5.798715  217.5737       73.75572 182.2182       
121.9755 237.9518       92.60313 26.78711 9.087684 31.22525 7.205163 -4.438137 
11.59743 
1 1 1 -19 -27 6  o 37.37545 4.132840  320.1347       64.84858 323.5760       
91.97244 316.7326       91.44927 37.58373 5.828796 37.16718 5.860596 0.4165573 
8.265679 
1 1 1 -19 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -26 1  o 48.25925 4.470149  513.1257       90.11000 571.8809       
135.9577 467.0963       120.3368 50.66901 6.391203 45.84948 6.251514 4.819530 
8.940297 
1 1 1 -19 -26 2  o 25.23491 5.745389  146.4603       72.59335 85.06220       
106.3693 199.9882       99.31808 21.56862 8.303035 28.90120 7.943398 -7.332577 
11.49078 
1 1 1 -19 -26 3  o 22.43637 5.845442  104.4505       72.76689 93.91345       
103.2011 114.8686       102.6172 21.82742 8.241896 23.04531 8.291436 -1.217888 
11.69088 
1 1 1 -19 -26 4  o 43.90219 4.068196  423.8683       74.33523 506.9585       
113.0843 360.6469       98.64136 47.67808 5.649429 40.12630 5.855325 7.551777 
8.136392 
1 1 1 -19 -26 5  o 18.69468 5.400966  48.19777       67.14250 25.96438       
104.8405 63.65734       87.42281 18.28194 7.781842 19.10742 7.491639 
-0.8254871     10.80193 
1 1 1 -19 -26 6  o 49.40974 3.929055  553.2773       76.59409 536.9167       
131.3151 561.7139       94.29661 48.24891 6.482584 50.57057 4.441394 -2.321663 
7.858109 
1 1 1 -19 -26 7  o 59.47678 3.273876  779.3489       81.10277 818.4386       
123.7893 749.9510       107.3521 60.61386 4.864434 58.33970 4.382960 2.274162 
6.547752 
1 1 1 -19 -26 8  f 22.06517 5.499451  116.3856       63.44417 116.9029       
92.98192 115.9349       86.78545 22.14848 7.900141 21.98186 7.652687 0.1666222 
10.99890 
1 1 1 -19 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -25 1  o 49.51896 4.519534  543.4947       90.76099 532.5015       
147.6255 550.1750       115.0798 48.78309 7.207974 50.25483 5.454342 -1.471741 
9.039067 
1 1 1 -19 -25 2  o 37.18971 4.890379  304.1981       73.79168 416.5912       
115.0525 225.6542       96.17954 43.35445 6.320966 31.02496 7.463820 12.32949 
9.780758 
1 1 1 -19 -25 3  o 44.18158 3.978521  431.7214       72.78169 416.1255       
111.2072 443.4069       96.26080 43.29289 6.118394 45.07028 5.087217 -1.777390 
7.957042 
1 1 1 -19 -25 4  o 29.23455 5.488455  206.6537       69.57893 160.9250       
101.2026 247.6449       95.81708 26.07646 8.258903 32.39264 7.230703 -6.316172 
10.97691 
1 1 1 -19 -25 5  o 49.91828 3.733435  566.2293       74.81516 482.6479       
119.0292 620.8146       96.19144 46.36160 6.115279 53.47496 4.284568 -7.113358 
7.466870 
1 1 1 -19 -25 6  o 47.43912 4.450854  508.4478       82.04675 516.5481       
146.2951 504.7310       99.09858 47.02451 7.410142 47.85372 4.932565 
-0.8292122     8.901708 
1 1 1 -19 -25 7  o 16.38772 5.040762  2.231143       64.33542 24.30104       
98.75175 -14.04367      84.80134 17.74085 7.552036 15.03460 6.678616 2.706251 
10.08152 
1 1 1 -19 -25 8  o 20.55198 5.513526  84.84669       67.08736 49.52407       
97.20831 116.9714       92.70361 18.70579 7.694870 22.39817 7.898410 -3.692387 
11.02705 
1 1 1 -19 -25 9  o 32.30248 5.239429  271.8316       71.69036 181.8546       
112.0350 334.2192       93.29041 26.46922 8.709510 38.13575 5.826742 -11.66653 
10.47886 
1 1 1 -19 -25 10 o 26.50953 4.467119  160.3049       66.93995 -36.26957      
97.12580 338.1640       92.38666 14.88268 6.820955 38.13639 5.770198 -23.25372 
8.934238 
1 1 1 -19 -25 11 o 16.79348 4.938817  18.80300       65.25297 -92.78690      
101.0485 98.62107       85.46098 13.36676 6.394460 20.22019 7.528513 -6.853431 
9.877633 
1 1 1 -19 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -24 1  f 67.30014 5.919128  1036.600       160.9301 1085.928       
205.4599 958.2991       258.8615 70.11839 6.979369 64.48190 9.562045 5.636490 
11.83826 
1 1 1 -19 -24 2  o 57.32660 4.111507  729.1017       96.96902 639.6376       
146.3885 799.0493       129.4400 53.87760 6.471721 60.77561 5.072947 -6.898010 
8.223014 
1 1 1 -19 -24 3  o 48.42578 3.973151  505.3287       80.19547 581.6952       
122.4233 447.9270       106.1389 51.57286 5.654104 45.27869 5.583441 6.294170 
7.946301 
1 1 1 -19 -24 4  f 26.71759 5.987816  166.1044       76.09783 137.3622       
108.3377 194.0960       106.9137 24.85191 8.560003 28.58326 8.375089 -3.731350 
11.97563 
1 1 1 -19 -24 5  o 60.22236 3.335635  789.3712       83.75628 782.6171       
125.6185 794.7770       112.3822 59.86192 4.998321 60.58281 4.418443 
-0.7208900     6.671270 
1 1 1 -19 -24 6  o 65.02557 3.569197  949.5060       94.00340 828.9045       
147.8625 1031.316       121.7825 61.04334 5.769535 69.00779 4.203468 -7.964451 
7.138394 
1 1 1 -19 -24 7  o 25.43191 6.058786  147.5761       74.21022 184.4069       
124.4074 127.2319       92.46159 27.41864 9.177831 23.44517 7.912206 3.973465 
12.11757 
1 1 1 -19 -24 8  o 21.25530 5.600066  94.68803       67.18781 82.22325       
100.2558 104.8503       90.52358 20.74853 8.045612 21.76207 7.791732 -1.013536 
11.20013 
1 1 1 -19 -24 9  o 42.91699 4.341851  421.9505       78.20205 437.7221       
112.1025 407.0000       109.1455 43.71674 6.107853 42.11724 6.172586 1.599503 
8.683702 
1 1 1 -19 -24 10 o 21.25613 5.270121  87.47713       69.35525 -37.69894      
105.9929 181.2012       91.71527 15.71096 7.169456 26.80131 7.726293 -11.09034 
10.54024 
1 1 1 -19 -24 11 o 16.43034 4.999425  -7.029682      67.75734 77.74955       
94.48392 -96.79272      97.22142 19.68009 7.766553 13.18058 6.297432 6.499511 
9.998850 
1 1 1 -19 -24 12 o 16.97520 5.177131  28.51980       67.75173 -1.601196      
104.4098 50.42790       89.04486 16.31397 7.322959 17.63643 7.320179 -1.322462 
10.35426 
1 1 1 -19 -24 13 o 16.69854 5.216096  0.7677487      72.19088 78.22866       
112.7671 -53.02239      93.97070 19.63603 8.199368 13.76105 6.449885 5.874976 
10.43219 
1 1 1 -19 -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -23 2  o 46.17961 5.995475  509.4086       108.2172 400.1293       
173.2234 579.3588       138.5900 40.86555 10.13346 51.49368 6.410607 -10.62813 
11.99095 
1 1 1 -19 -23 3  o 42.98781 4.943977  375.5327       82.81024 304.5337       
99.06339 540.2402       150.8842 36.68580 6.678916 49.28981 7.291344 -12.60401 
9.887954 
1 1 1 -19 -23 4  o 18.01430 5.446624  -3.873526      75.30662 54.49052       
109.9829 -55.38793      103.3277 20.48328 8.270289 15.54533 7.089793 4.937957 
10.89325 
1 1 1 -19 -23 5  o 77.86226 3.275629  1332.786       105.1111 1130.728       
155.6107 1502.340       142.5461 72.07957 5.142195 83.64494 4.059165 -11.56538 
6.551258 
1 1 1 -19 -23 6  o 42.29564 4.895968  430.7459       79.37238 323.6206       
126.1930 500.8662       102.0966 36.69690 8.372651 47.89438 5.077473 -11.19749 
9.791937 
1 1 1 -19 -23 7  f 22.16642 6.066300  93.07153       78.02677 48.38536       
145.0704 111.2605       92.55430 21.79624 9.210315 22.53660 7.897472 
-0.7403622     12.13260 
1 1 1 -19 -23 8  o 17.39048 5.280435  12.35449       69.04384 28.09456       
102.8699 -0.5486358     93.13917 18.36504 7.757903 16.41592 7.165678 1.949121 
10.56087 
1 1 1 -19 -23 9  o 37.18688 4.852987  333.6023       72.21287 264.0120       
108.8546 388.2989       96.50573 32.70757 7.985638 41.66618 5.516840 -8.958611 
9.705975 
1 1 1 -19 -23 10 o 18.12856 5.399163  27.85431       71.26675 -8.692383      
99.36290 66.57301       102.2729 16.36556 7.254664 19.89156 7.998356 -3.526001 
10.79833 
1 1 1 -19 -23 11 o 19.26213 5.524752  53.68990       72.74364 -3.856275      
107.5853 102.1565       98.73383 16.99947 7.540596 21.52478 8.076567 -4.525303 
11.04950 
1 1 1 -19 -23 12 o 33.26672 5.543107  285.4415       77.51178 366.3342       
111.2808 209.2089       108.0280 38.47078 7.157167 28.06267 8.466350 10.40812 
11.08621 
1 1 1 -19 -23 13 o 22.81005 5.955734  134.5397       77.61906 90.51235       
114.7116 171.7210       105.4164 20.59865 8.396948 25.02146 8.448334 -4.422817 
11.91147 
1 1 1 -19 -23 14 o 34.13298 5.936049  322.4765       82.99464 351.7309       
132.9701 303.8061       106.2268 34.67421 9.041651 33.59174 7.693846 1.082474 
11.87210 
1 1 1 -19 -22 1  o 43.46817 9.881981  440.3977       176.3062 0.000000       
0.000000 440.3977       176.3062 ?        ?        43.46817 9.881981 ? ? 
1 1 1 -19 -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -22 3  o 46.25743 6.264734  483.5328       117.9018 299.3087       
157.7490 716.6796       177.4632 35.53202 10.09759 56.98285 7.417971 -21.45083 
12.52947 
1 1 1 -19 -22 4  o 70.73102 4.650937  1154.226       121.5989 967.8950       
223.6093 1232.464       144.8961 65.66273 8.111327 75.79931 4.553157 -10.13657 
9.301874 
1 1 1 -19 -22 5  o 28.10981 6.135359  180.5754       79.78250 214.7019       
118.3417 152.1412       108.0221 30.19790 8.799545 26.02172 8.552108 4.176180 
12.27072 
1 1 1 -19 -22 6  o 72.61867 3.178401  1122.887       95.82397 1229.122       
149.3155 1048.496       124.9482 75.40639 4.716479 69.83096 4.261898 5.575432 
6.356803 
1 1 1 -19 -22 7  o 45.39524 4.459024  433.4984       79.56078 658.9603       
130.6083 300.4749       100.3224 54.70955 5.686285 36.08094 6.870061 18.62861 
8.918048 
1 1 1 -19 -22 8  o 19.69694 5.524334  44.37228       76.33388 -96.82224      
130.4259 117.9343       94.14159 16.33449 7.645772 23.05938 7.975916 -6.724892 
11.04867 
1 1 1 -19 -22 9  o 21.33394 5.254498  63.73470       70.64274 -69.06804      
101.0898 190.4835       98.75879 14.66769 6.814727 28.00018 7.999907 -13.33249 
10.50900 
1 1 1 -19 -22 10 o 37.84224 5.295012  344.8684       80.96838 338.7536       
118.1565 350.2820       111.1752 37.31997 7.795004 38.36452 7.168439 -1.044552 
10.59002 
1 1 1 -19 -22 11 o 15.76690 5.080769  -60.95175      76.32243 19.78591       
111.9247 -131.1254      104.3458 18.34835 7.930432 13.18545 6.353352 5.162897 
10.16154 
1 1 1 -19 -22 12 o 26.69701 6.058634  175.2359       78.52309 246.3614       
118.7326 119.9439       104.6859 30.65528 8.775855 22.73874 8.355392 7.916548 
12.11727 
1 1 1 -19 -22 13 o 22.91796 5.963930  127.0595       76.67628 94.15215       
112.2424 155.8537       104.9935 21.22721 8.437173 24.60871 8.431368 -3.381493 
11.92786 
1 1 1 -19 -22 14 o 24.80081 6.004864  169.7660       76.18829 141.6866       
117.6791 190.0291       99.96758 23.21973 8.791216 26.38190 8.182182 -3.162167 
12.00973 
1 1 1 -19 -22 15 o 16.16688 5.247718  -39.69197      74.23822 67.27263       
133.7387 -87.33064      89.25177 19.87106 8.629757 12.46269 5.973398 7.408369 
10.49544 
1 1 1 -19 -21 1  o 55.96866 6.118498  680.8613       138.3263 536.8044       
181.9302 878.2488       212.9599 48.55206 9.257571 63.38527 8.002589 -14.83321 
12.23700 
1 1 1 -19 -21 2  o 20.73238 6.284737  4.626036       94.64400 29.07600       
156.2762 -9.535838      118.9362 22.73884 9.581597 18.72593 8.135396 4.012909 
12.56947 
1 1 1 -19 -21 3  f 94.15619 6.622962  1925.245       261.8063 0.000000       
0.000000 1925.245       261.8063 ?        ?        94.15619 6.622962 ? ? 
1 1 1 -19 -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -21 5  o 22.40953 6.652565  29.05597       106.1609 -18.21042      
141.8658 89.20866       160.0402 19.89409 8.762320 24.92497 10.01240 -5.030880 
13.30513 
1 1 1 -19 -21 6  f 61.43308 4.369480  842.5961       103.3193 784.4120       
183.7090 869.5140       124.9538 59.30217 7.378720 63.56400 4.682299 -4.261829 
8.738960 
1 1 1 -19 -21 7  o 50.61127 4.617258  571.2198       97.06609 483.4834       
137.9383 657.2818       136.6156 46.50838 7.064391 54.71417 5.947324 -8.205795 
9.234516 
1 1 1 -19 -21 8  o 83.22363 4.392286  1547.532       139.1109 1506.639       
254.7962 1564.899       166.0421 81.45160 7.450997 84.99565 4.653102 -3.544052 
8.784573 
1 1 1 -19 -21 9  o 38.42941 5.035018  344.3210       78.21796 342.4355       
111.3277 346.1592       109.9195 38.28977 7.190194 38.56905 7.050302 
-0.2792816     10.07004 
1 1 1 -19 -21 10 o 42.10069 4.509211  396.8781       79.28267 457.0486       
117.9529 347.2899       107.0794 45.05134 6.236229 39.15003 6.514704 5.901306 
9.018421 
1 1 1 -19 -21 11 o 31.27818 5.693697  236.9028       75.10410 287.2953       
114.5758 198.9374       99.44962 34.12970 8.105893 28.42666 7.997954 5.703035 
11.38739 
1 1 1 -19 -21 12 f 17.61178 5.342491  -6.040926      77.09398 -112.9035      
114.9898 81.21302       103.9056 14.47549 6.900024 20.74806 8.158340 -6.272573 
10.68498 
1 1 1 -19 -21 13 o 41.62990 5.555641  403.2909       89.76077 538.6722       
156.4058 336.8041       109.6077 46.16414 8.378671 37.09566 7.297839 9.068485 
11.11128 
1 1 1 -19 -21 14 o 32.23162 6.419239  300.0409       93.16380 213.1283       
160.8491 343.9169       114.2854 27.59365 10.31757 36.86958 7.640300 -9.275934 
12.83848 
1 1 1 -19 -21 15 o 39.31815 6.655981  420.3663       107.2888 593.1346       
175.3474 316.9803       135.6433 45.66611 9.464249 32.97018 9.361428 12.69593 
13.31196 
1 1 1 -19 -21 16 o 18.18182 6.073284  -57.74225      124.1063 2.965439       
163.6086 -140.0133      190.4618 19.03152 8.775729 17.33211 8.397958 1.699409 
12.14657 
1 1 1 -19 -20 1  o 72.66456 5.385670  1156.601       162.2885 1319.249       
225.3999 981.5219       233.8548 78.24256 6.861701 67.08656 8.302940 11.15601 
10.77134 
1 1 1 -19 -20 2  o 150.0373 4.956346  4777.059       293.5180 5139.750       
518.6492 4606.166       356.0146 153.4451 8.050847 146.6295 5.783193 6.815674 
9.912692 
1 1 1 -19 -20 3  o 28.48737 6.436409  112.1120       97.05911 340.6343       
161.4867 -17.12645      121.4419 38.30935 9.952305 18.66538 8.164625 19.64397 
12.87282 
1 1 1 -19 -20 4  o 80.35671 4.251884  1361.382       132.2470 1473.630       
242.7171 1313.990       157.7135 82.27039 7.027129 78.44304 4.788899 3.827347 
8.503769 
1 1 1 -19 -20 5  o 45.55494 6.419223  450.9472       122.7713 0.000000       
0.000000 450.9472       122.7713 ?        ?        45.55494 6.419223 ? ? 
1 1 1 -19 -20 6  o 33.71381 9.776222  268.1216       146.4177 0.000000       
0.000000 268.1216       146.4177 ?        ?        33.71381 9.776222 ? ? 
1 1 1 -19 -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -20 13 o 51.72548 9.725679  696.6219       203.4407 0.000000       
0.000000 696.6219       203.4407 ?        ?        51.72548 9.725679 ? ? 
1 1 1 -19 -20 14 o 35.20650 8.910872  325.5584       131.8941 0.000000       
0.000000 325.5584       131.8941 ?        ?        35.20650 8.910872 ? ? 
1 1 1 -19 -20 15 o 20.62574 6.230189  44.37003       101.3437 -62.56626      
152.0154 129.9193       135.9669 17.74895 8.288836 23.50253 9.303560 -5.753578 
12.46038 
1 1 1 -19 -20 16 o 35.59077 7.165846  390.1048       112.6754 363.6335       
165.3033 413.0771       153.9915 33.81178 10.52863 37.36976 9.723446 -3.557980 
14.33169 
1 1 1 -19 -20 17 o 29.22491 7.223358  287.2792       113.8415 218.0432       
180.2381 333.2332       146.8392 25.91491 10.53839 32.53491 9.881801 -6.619995 
14.44672 
1 1 1 -19 -19 1  o 104.0759 4.810910  2323.518       210.0463 2390.748       
304.4819 2262.474       290.1376 105.4859 6.875245 102.6658 6.731303 2.820030 
9.621820 
1 1 1 -19 -19 2  o 118.6252 5.019467  3089.134       226.1682 2900.932       
413.3718 3169.543       270.1975 115.2923 8.540076 121.9581 5.277055 -6.665878 
10.03893 
1 1 1 -19 -19 3  o 88.88358 4.583833  1748.554       164.3470 1488.366       
259.4605 1922.894       212.3867 82.85181 7.459168 94.91534 5.329814 -12.06353 
9.167666 
1 1 1 -19 -19 4  f 85.63553 4.508910  1581.986       156.0741 1573.383       
257.4347 1586.985       196.2550 85.14639 7.201482 86.12466 5.427681 
-0.9782639     9.017819 
1 1 1 -19 -19 5  o 71.02529 4.283898  1123.517       121.6535 947.8530       
195.3476 1234.803       155.4840 66.00986 7.048885 76.04072 4.870355 -10.03085 
8.567797 
1 1 1 -19 -19 6  o 89.44528 4.525002  1771.390       161.5772 1611.677       
266.7262 1863.977       203.0802 85.69321 7.413791 93.19735 5.190212 -7.504135 
9.050005 
1 1 1 -19 -19 7  o 66.88754 4.488706  988.5402       118.7669 932.2548       
201.7876 1018.373       146.9080 64.96719 7.398123 68.80788 5.085438 -3.840698 
8.977411 
1 1 1 -19 -19 8  o 26.23261 6.571484  146.7181       90.93581 111.6975       
144.2791 169.7988       117.1294 25.06944 9.666062 27.39578 8.905327 -2.326342 
13.14297 
1 1 1 -19 -19 9  o 41.50975 4.890876  376.9263       82.36230 468.3585       
129.8174 315.3278       106.5536 45.94054 6.730662 37.07895 7.097947 8.861588 
9.781752 
1 1 1 -19 -19 10 o 55.28125 3.953871  666.9890       91.52273 726.6644       
135.3012 616.6502       124.2670 57.54502 5.600347 53.01747 5.582876 4.527557 
7.907743 
1 1 1 -19 -19 11 o 65.12950 4.657255  962.7021       124.2447 907.0993       
194.4161 1001.087       161.5346 62.99085 7.351499 67.26816 5.719752 -4.277309 
9.314509 
1 1 1 -19 -19 12 o 83.61040 4.293743  1513.947       141.2754 1730.637       
253.6297 1416.472       170.1083 86.96407 6.946743 80.25672 5.048531 6.707344 
8.587485 
1 1 1 -19 -19 13 o 79.85378 4.509077  1458.640       146.3243 1428.173       
236.1016 1477.640       186.4484 78.32879 7.179571 81.37878 5.457184 -3.049988 
9.018154 
1 1 1 -19 -19 14 o 22.04911 6.529766  70.13024       102.5645 104.0514       
143.3149 34.51698       146.8459 23.29707 9.426527 20.80116 9.038362 2.495913 
13.05953 
1 1 1 -19 -19 15 o 21.95271 6.537616  65.39013       101.8240 134.0628       
159.7855 18.43413       132.1269 24.64387 9.960890 19.26154 8.470088 5.382328 
13.07523 
1 1 1 -19 -19 16 o 38.19810 6.675992  391.7481       104.7365 481.3882       
168.3969 335.1954       133.7550 41.36956 9.828054 35.02665 9.037964 6.342903 
13.35198 
1 1 1 -19 -19 17 o 16.79877 5.516248  -48.01345      96.66541 -151.6751      
155.5584 17.19606       123.3786 15.66045 7.588477 17.93710 8.008183 -2.276642 
11.03250 
1 1 1 -19 -18 1  o 86.70698 5.691721  1597.879       204.4920 1481.385       
264.9705 1769.454       321.5679 82.98310 7.605521 90.43085 8.469877 -7.447754 
11.38344 
1 1 1 -19 -18 2  o 19.67297 6.566543  -208.2947      141.1304 -184.1897      
183.5213 -243.1814      220.7811 18.98523 8.920517 20.36070 9.638584 -1.375477 
13.13309 
1 1 1 -19 -18 3  o 56.79028 5.057220  692.8407       118.0242 706.8682       
187.7924 683.6826       151.7365 57.11583 7.831457 56.46473 6.400795 0.6511040 
10.11444 
1 1 1 -19 -18 4  f 142.4024 5.726980  4429.272       313.4904 4383.345       
568.7757 4449.313       375.7099 140.8071 9.621386 143.9977 6.214670 -3.190643 
11.45396 
1 1 1 -19 -18 5  o 74.17271 4.079328  1188.951       124.8053 1122.126       
192.2190 1237.655       164.1002 72.19591 6.341687 76.14953 5.132901 -3.953621 
8.158656 
1 1 1 -19 -18 6  o 89.77058 4.351561  1776.799       153.4949 1617.694       
261.8770 1860.067       189.4497 86.18562 7.237416 93.35553 4.833646 -7.169907 
8.703122 
1 1 1 -19 -18 7  o 52.94200 5.108586  586.2224       109.9757 725.8580       
185.8525 510.9836       136.4241 57.42739 7.708508 48.45661 6.705930 8.970787 
10.21717 
1 1 1 -19 -18 8  o 72.03446 4.276822  1077.237       122.0818 1279.165       
218.2404 985.2728       147.2811 76.41158 6.802945 67.65734 5.185053 8.754242 
8.553644 
1 1 1 -19 -18 9  o 38.30830 5.753469  337.6812       87.96383 355.1560       
141.1424 326.5832       112.4799 38.82525 8.852279 37.79135 7.351652 1.033901 
11.50694 
1 1 1 -19 -18 10 o 63.89754 4.016720  830.7553       103.5104 1132.990       
179.6186 680.4771       126.6564 71.87729 5.952243 55.91778 5.395086 15.95951 
8.033440 
1 1 1 -19 -18 11 o 88.90799 4.177258  1757.071       149.9757 1688.047       
244.9911 1798.441       189.6679 86.87187 6.717260 90.94410 4.967529 -4.072227 
8.354515 
1 1 1 -19 -18 12 o 40.07362 6.385434  408.8711       108.1965 269.3201       
164.5036 515.2637       143.6365 32.60464 10.55035 47.54259 7.196194 -14.93795 
12.77087 
1 1 1 -19 -18 13 o 26.03374 6.227735  140.0922       97.40134 -43.49849      
149.7936 274.5772       128.2050 18.96292 8.618291 33.10456 8.992429 -14.14164 
12.45547 
1 1 1 -19 -18 14 o 31.16797 6.828284  249.3160       97.26534 272.4995       
152.0763 233.2676       126.5285 32.11699 10.11823 30.21895 9.171875 1.898041 
13.65657 
1 1 1 -19 -18 15 f 23.22784 6.533816  108.8453       96.66863 60.35780       
153.9066 140.4374       124.2315 21.97411 9.393278 24.48157 9.084566 -2.507456 
13.06763 
1 1 1 -19 -18 16 o 25.88190 6.814988  170.5097       101.3986 117.1481       
157.5814 208.2168       132.4654 23.85487 9.802443 27.90893 9.470394 -4.054058 
13.62998 
1 1 1 -19 -18 17 o 21.37199 6.484770  73.48900       103.6817 79.98902       
157.5775 68.52660       137.6839 21.91362 9.439810 20.83036 8.893760 1.083261 
12.96954 
1 1 1 -19 -18 18 o 23.29898 6.820114  143.1288       108.6310 110.3309       
180.9831 161.5994       135.8176 22.62362 9.931026 23.97433 9.350429 -1.350714 
13.64023 
1 1 1 -19 -17 1  o 88.53282 5.575882  1682.943       202.8388 1681.912       
261.4974 1684.501       321.3929 88.70509 7.021662 88.36055 8.663610 0.3445435 
11.15176 
1 1 1 -19 -17 2  o 45.45585 7.766809  426.3590       148.0536 258.8860       
185.7395 718.1863       245.1855 34.56268 11.21333 56.34901 10.74963 -21.78633 
15.53362 
1 1 1 -19 -17 3  o 61.91362 4.965184  812.2878       127.7207 895.2906       
198.5489 753.6967       166.8159 64.51524 7.330374 59.31200 6.699091 5.203243 
9.930367 
1 1 1 -19 -17 4  o 25.15465 6.491900  83.20666       103.9392 -100.2193      
161.5966 212.6387       135.7446 19.31625 8.830045 30.99306 9.518897 -11.67681 
12.98380 
1 1 1 -19 -17 5  f 73.49440 4.388031  1107.828       129.6100 1334.567       
225.2266 995.5631       158.4811 78.70870 6.815816 68.28010 5.528464 10.42860 
8.776062 
1 1 1 -19 -17 6  o 70.19554 4.937068  1129.496       126.7883 927.4594       
236.1486 1211.323       150.2862 64.95869 8.659028 75.43239 4.745503 -10.47370 
9.874136 
1 1 1 -19 -17 7  o 81.91880 3.892902  1393.213       127.1836 1585.391       
222.7720 1300.284       154.9111 85.74927 6.188014 78.08833 4.725171 7.660934 
7.785805 
1 1 1 -19 -17 8  o 18.56305 5.853842  -33.60488      90.39443 -93.16321      
156.1340 -3.576499      110.8644 18.86794 8.647778 18.25817 7.892135 0.6097660 
11.70768 
1 1 1 -19 -17 9  o 61.20818 4.817950  864.1926       109.8843 717.0891       
198.9572 928.7599       131.8119 56.60362 8.372139 65.81273 4.770521 -9.209110 
9.635900 
1 1 1 -19 -17 10 o 62.23726 4.118982  825.8290       105.5331 933.1207       
170.2259 758.8470       134.4998 65.29849 6.209312 59.17602 5.413733 6.122471 
8.237965 
1 1 1 -19 -17 11 o 41.41918 5.628781  375.6702       91.06392 497.6483       
155.9969 312.6172       112.1574 46.12275 8.363912 36.71562 7.535097 9.407124 
11.25756 
1 1 1 -19 -17 12 o 21.13074 6.242834  30.04377       97.77616 -65.84431      
148.4715 103.4765       129.9289 18.57401 8.479543 23.68747 9.164566 -5.113457 
12.48567 
1 1 1 -19 -17 13 o 21.34249 6.096238  46.63578       92.10181 -65.69904      
138.4793 135.7444       123.3353 17.74948 8.138934 24.93550 9.078228 -7.186024 
12.19248 
1 1 1 -19 -17 14 o 35.81935 6.445762  337.4320       97.55225 256.1584       
161.5903 384.0386       122.3669 31.47867 10.45983 40.16003 7.535473 -8.681360 
12.89152 
1 1 1 -19 -17 15 o 28.17889 7.019328  201.2509       103.2711 176.9754       
162.2902 217.7693       133.8728 27.20648 10.31710 29.15130 9.520572 -1.944822 
14.03866 
1 1 1 -19 -17 16 o 51.81151 6.049017  674.5152       120.8456 647.6013       
202.2801 689.4520       150.6934 49.17487 10.14421 54.44815 6.592228 -5.273273 
12.09803 
1 1 1 -19 -17 17 o 21.47253 6.468972  65.59386       104.0500 10.86028       
163.2932 103.0075       135.0070 20.41995 9.162209 22.52510 9.134786 -2.105146 
12.93794 
1 1 1 -19 -17 18 o 23.83904 6.839615  140.0031       108.4363 96.66133       
166.7618 171.7538       142.7314 22.55219 9.712905 25.12589 9.632281 -2.573706 
13.67923 
1 1 1 -19 -17 19 o 27.18485 7.261970  243.3358       116.7394 182.5483       
197.5031 275.9771       144.7274 24.82837 10.62799 29.54134 9.899022 -4.712973 
14.52394 
1 1 1 -19 -16 1  o 103.9267 5.638009  2311.818       241.9734 2303.642       
314.9569 2323.596       378.0125 103.8898 7.221035 103.9636 8.660556 
-0.7386780E-01 11.27602 
1 1 1 -19 -16 2  o 49.02532 7.890867  522.0102       153.2918 458.9724       
189.4086 641.6884       260.9797 45.07814 10.23889 52.97250 12.00951 -7.894356 
15.78173 
1 1 1 -19 -16 3  o 132.1044 4.962805  3752.380       262.5350 3675.867       
440.6551 3794.484       326.8836 130.6619 8.032871 133.5469 5.830157 -2.885010 
9.925611 
1 1 1 -19 -16 4  o 73.13846 4.603854  1045.685       130.6019 1411.366       
248.5540 906.2153       153.5001 81.03131 7.306156 65.24561 5.603745 15.78570 
9.207707 
1 1 1 -19 -16 5  o 64.87315 4.860338  903.6064       119.8968 906.5734       
222.7760 902.3966       142.2565 64.62503 8.210863 65.12128 5.203197 
-0.4962540     9.720675 
1 1 1 -19 -16 6  o 93.23922 4.201131  1755.108       139.7684 2068.070       
297.6014 1666.543       158.3145 97.82597 7.246058 88.65247 4.253545 9.173508 
8.402262 
1 1 1 -19 -16 7  o 37.82927 6.029233  373.7108       93.45807 159.5761       
169.0268 468.0026       112.1629 28.91695 10.61780 46.74159 5.715666 -17.82463 
12.05847 
1 1 1 -19 -16 8  o 63.35951 4.542265  823.1044       113.4701 998.2355       
205.7397 746.5463       136.0291 67.71179 7.237273 59.00723 5.490953 8.704567 
9.084530 
1 1 1 -19 -16 9  o 69.99792 4.759710  1100.483       122.2644 992.3648       
232.8057 1141.661       143.6728 66.90144 8.288562 73.09441 4.681785 -6.192963 
9.519421 
1 1 1 -19 -16 10 o 31.89636 6.198586  244.4849       87.74436 168.3073       
138.7914 295.2025       113.2474 27.93384 9.682200 35.85888 7.742409 -7.925039 
12.39717 
1 1 1 -19 -16 11 o 29.50118 5.985045  213.9628       83.30222 97.36488       
139.1309 279.1177       104.0044 24.16051 9.455434 34.84185 7.340153 -10.68135 
11.97009 
1 1 1 -19 -16 12 o 35.20158 6.186349  296.9989       83.37444 283.3931       
164.5128 301.7012       96.71468 33.97897 10.48792 36.42418 6.564091 -2.445202 
12.37270 
1 1 1 -19 -16 13 o 44.99190 5.318450  468.0452       97.57995 415.6948       
138.7667 519.2529       137.2437 41.89462 8.181324 48.08918 6.797764 -6.194565 
10.63690 
1 1 1 -19 -16 14 o 71.09672 4.539065  1025.241       127.2368 1494.981       
234.8699 830.1221       151.3731 81.12155 6.896238 61.07189 5.903758 20.04966 
9.078131 
1 1 1 -19 -16 15 o 50.30716 5.708624  610.6600       114.0332 571.7093       
179.4344 637.0495       147.6945 47.79361 9.273432 52.82072 6.660106 -5.027115 
11.41725 
1 1 1 -19 -16 16 o 44.34232 6.120418  496.5791       110.3859 407.1186       
162.5235 573.1896       150.3990 39.26538 9.863674 49.41926 7.248860 -10.15388 
12.24084 
1 1 1 -19 -16 17 o 42.40982 6.911139  475.7496       116.4664 502.0397       
197.0061 461.6247       144.4028 41.99849 11.03062 42.82116 8.329514 
-0.8226776     13.82228 
1 1 1 -19 -16 18 o 29.62823 7.169565  254.0104       112.3432 170.0311       
177.5476 310.0835       145.0794 26.00539 10.50459 33.25106 9.760345 -7.245674 
14.33913 
1 1 1 -19 -16 19 o 21.03543 6.500986  67.40532       108.7472 89.26881       
158.6425 48.02539       149.3605 21.84862 9.442407 20.22225 8.938244 1.626371 
13.00197 
1 1 1 -19 -16 20 o 20.72625 6.533967  42.19070       111.7187 170.6510       
184.9888 -31.55975      140.1662 24.28206 10.33640 17.17044 7.995600 7.111616 
13.06793 
1 1 1 -19 -15 1  o 156.0373 6.921519  5227.705       440.0621 5144.070       
557.1405 5366.432       717.5443 154.8846 8.567962 157.1899 10.87289 -2.305328 
13.84304 
1 1 1 -19 -15 2  o 91.03341 5.817595  1775.021       222.0522 1653.030       
309.6414 1904.182       318.6091 87.77518 8.402495 94.29163 8.048335 -6.516449 
11.63519 
1 1 1 -19 -15 3  o 19.20350 6.234970  -108.7193      114.0443 -148.4751      
174.3953 -79.01579      150.7435 19.21624 8.936790 19.19077 8.696734 
0.2546692E-01  12.46994 
1 1 1 -19 -15 4  o 122.8861 4.952507  3091.841       212.3061 3487.409       
462.2646 2986.098       239.0042 127.0366 8.667283 118.7355 4.794527 8.301010 
9.905013 
1 1 1 -19 -15 5  o 122.6094 4.718876  3245.258       223.2518 3146.901       
401.2514 3289.358       268.6797 120.7690 7.913744 124.4497 5.142354 -3.680702 
9.437752 
1 1 1 -19 -15 6  o 81.21515 4.042555  1401.258       126.8173 1423.233       
230.3633 1391.703       151.9083 81.41339 6.739667 81.01690 4.466084 0.3964920 
8.085111 
1 1 1 -19 -15 7  o 61.65721 4.605960  845.3049       112.3505 722.3058       
185.4390 916.6383       141.2203 57.71677 7.652795 65.59764 5.127786 -7.880867 
9.211920 
1 1 1 -19 -15 8  o 59.91434 4.854851  826.0173       112.0611 626.1996       
186.3901 939.1301       140.2367 53.46940 8.303066 66.35928 5.033627 -12.88988 
9.709702 
1 1 1 -19 -15 9  o 18.78352 5.866220  -41.30128      94.44371 -148.0548      
151.1837 27.02100       120.9470 17.22758 8.095203 20.33947 8.492223 -3.111893 
11.73244 
1 1 1 -19 -15 10 o 71.58310 3.902894  1117.834       103.2332 1070.291       
198.2658 1135.518       120.9171 70.08984 6.737733 73.07636 3.941230 -2.986519 
7.805789 
1 1 1 -19 -15 11 o 37.01857 5.587792  322.7054       84.91841 242.3955       
130.0270 382.4345       112.1351 32.18190 9.174528 41.85524 6.381357 -9.673336 
11.17558 
1 1 1 -19 -15 12 o 84.04497 4.599807  1513.346       127.7640 1624.434       
293.6788 1487.413       141.8957 84.69965 8.258707 83.39029 4.052983 1.309364 
9.199615 
1 1 1 -19 -15 13 o 21.39836 6.126225  61.42002       85.98643 10.82415       
140.4641 91.74379       108.7425 20.51518 8.875790 22.28153 8.446472 -1.766344 
12.25245 
1 1 1 -19 -15 14 o 67.91230 3.914246  1015.562       107.4902 1008.823       
176.7594 1019.516       135.4039 67.30527 6.255393 68.51933 4.706947 -1.214066 
7.828492 
1 1 1 -19 -15 15 o 75.68434 5.072002  1363.386       147.8754 1154.156       
252.6423 1472.422       182.3807 69.65354 8.639406 81.71514 5.316153 -12.06160 
10.14400 
1 1 1 -19 -15 16 o 39.57919 6.717230  394.8692       109.6407 462.0691       
167.6675 344.6672       144.9189 42.46258 9.625476 36.69580 9.372030 5.766785 
13.43446 
1 1 1 -19 -15 17 o 26.27707 7.176626  146.7027       112.3051 238.5413       
176.7279 84.49607       145.4490 29.91170 10.86925 22.64245 9.374176 7.269249 
14.35325 
1 1 1 -19 -15 18 o 27.30758 7.217658  191.2989       107.8906 203.7755       
185.4252 184.9129       132.6591 27.89111 10.91570 26.72405 9.445949 1.167057 
14.43532 
1 1 1 -19 -15 19 o 47.05114 6.812498  528.0607       119.5253 850.0440       
232.9917 413.0586       139.2440 54.60252 10.53980 39.49975 8.634418 15.10278 
13.62500 
1 1 1 -19 -15 20 o 18.73677 6.050267  2.213668       103.2509 25.84596       
168.0097 -12.12830      130.8838 20.04829 9.115760 17.42525 7.957755 2.623041 
12.10053 
1 1 1 -19 -14 1  o 126.4390 5.551205  3401.356       287.4319 3359.085       
367.0993 3468.328       462.0756 125.6557 6.958610 127.2224 8.651084 -1.566711 
11.10241 
1 1 1 -19 -14 2  o 64.23962 6.363627  888.4927       169.0564 898.1860       
221.6316 875.0056       261.4313 64.79230 8.147593 63.68693 9.777512 1.105366 
12.72725 
1 1 1 -19 -14 3  o 55.18796 5.286628  666.3013       118.2938 578.8793       
185.9706 725.7106       153.3065 51.93110 8.529780 58.44481 6.247926 -6.513706 
10.57326 
1 1 1 -19 -14 4  o 87.11402 4.405465  1657.060       145.3463 1512.313       
265.4630 1719.029       173.6946 84.06156 7.521900 90.16648 4.588409 -6.104919 
8.810929 
1 1 1 -19 -14 5  o 37.30270 6.712081  314.2897       100.3992 300.1190       
179.2657 320.7660       121.1887 36.64370 10.87637 37.96170 7.868464 -1.318005 
13.42416 
1 1 1 -19 -14 6  o 223.8156 7.928138  10966.56       616.2966 11347.80       
1312.524 10858.73       698.0322 222.9222 14.02411 224.7091 7.399048 -1.786972 
15.85628 
1 1 1 -19 -14 7  o 108.7835 4.539755  2517.389       195.9433 2594.169       
339.5376 2479.051       239.9262 109.6612 7.374895 107.9057 5.296078 1.755547 
9.079511 
1 1 1 -19 -14 8  o 65.89851 4.395742  883.1508       111.6954 1056.114       
210.8369 815.6674       131.6945 69.91229 7.183136 61.88474 5.068801 8.027550 
8.791484 
1 1 1 -19 -14 9  f 68.35172 4.191403  901.6586       107.2862 1237.151       
218.0871 794.5447       123.2286 75.63213 6.868229 61.07130 4.806128 14.56082 
8.382806 
1 1 1 -19 -14 10 o 49.35316 5.378360  521.8531       98.67878 585.1697       
186.0079 497.0538       116.4105 50.63065 9.079811 48.07569 5.767499 2.554958 
10.75672 
1 1 1 -19 -14 11 o 34.76166 5.901954  299.7469       88.24583 161.0510       
148.8933 374.8463       109.5624 27.96621 9.994895 41.55711 6.279674 -13.59090 
11.80391 
1 1 1 -19 -14 12 o 125.5991 5.352720  3219.622       209.4913 3959.072       
534.5485 3085.443       227.7063 131.2001 9.704515 119.9981 4.519825 11.20201 
10.70544 
1 1 1 -19 -14 13 o 16.34463 5.460188  -107.5705      84.66038 -88.96831      
164.6206 -114.2595      98.71492 19.26073 8.849504 13.42854 6.398509 5.832188 
10.92038 
1 1 1 -19 -14 14 o 21.66605 5.675199  7.616135       84.16328 208.7937       
126.7366 -151.0961      112.5687 29.58125 9.220505 13.75085 6.619202 15.83040 
11.35040 
1 1 1 -19 -14 15 o 46.47155 5.250939  542.2602       91.37337 328.5250       
141.0014 696.9990       119.9734 36.47622 9.202095 56.46688 5.060719 -19.99066 
10.50188 
1 1 1 -19 -14 16 f 30.92039 7.021870  243.8018       104.6794 203.4377       
157.2020 275.9582       140.3117 28.87335 10.27489 32.96743 9.573568 -4.094088 
14.04374 
1 1 1 -19 -14 17 o 34.09254 7.290283  306.8745       110.5573 319.1931       
184.4604 299.9684       138.1132 34.08408 11.17554 34.10101 9.364841 
-0.1693344E-01 14.58057 
1 1 1 -19 -14 18 f 18.87812 6.011993  -11.48824      97.99180 -106.8287      
181.2328 27.89988       116.4880 18.84854 8.858743 18.90770 8.130123 
-0.5916405E-01 12.02399 
1 1 1 -19 -14 19 o 45.84844 6.340861  614.6696       112.5672 345.2003       
187.8652 765.6093       140.6026 33.94545 11.27820 57.75143 5.798982 -23.80598 
12.68172 
1 1 1 -19 -14 20 f 27.95967 7.108377  223.8564       104.0143 246.8945       
171.3579 210.4159       130.8847 28.59500 10.65774 27.32434 9.408962 1.270666 
14.21675 
1 1 1 -19 -14 21 o 24.52847 7.143901  164.7197       112.7658 230.2280       
197.3944 132.9840       137.3917 26.44025 10.93196 22.61669 9.199655 3.823566 
14.28780 
1 1 1 -19 -13 1  o 118.1545 5.433320  2975.910       268.9863 3002.088       
393.7115 2952.996       368.3607 118.5864 7.907955 117.7226 7.453061 0.8638458 
10.86664 
1 1 1 -19 -13 2  o 111.0321 4.970611  2612.480       231.1784 2862.194       
338.7107 2394.705       316.3090 115.9946 6.955241 106.0697 7.102993 9.924957 
9.941222 
1 1 1 -19 -13 3  o 73.34583 4.523682  1203.230       127.5238 979.0888       
219.3044 1317.738       156.7494 67.71581 7.713976 78.97586 4.727511 -11.26006 
9.047364 
1 1 1 -19 -13 4  o 54.61138 5.223591  611.4200       112.4189 709.9890       
202.6314 567.5899       135.1209 57.53337 8.388958 51.68939 6.226476 5.843983 
10.44718 
1 1 1 -19 -13 5  o 99.54942 4.368313  2136.725       179.9636 1854.548       
265.4940 2376.588       244.7800 93.25183 6.781384 105.8470 5.508309 -12.59518 
8.736627 
1 1 1 -19 -13 6  o 36.17983 7.231869  291.5017       112.5199 303.1746       
181.8659 284.2624       143.2227 36.81744 10.96048 35.54223 9.437563 1.275208 
14.46374 
1 1 1 -19 -13 7  o 47.44513 6.110164  553.7994       107.3961 354.2033       
184.4782 656.1240       132.0867 39.38705 10.82615 55.50321 5.668419 -16.11616 
12.22033 
1 1 1 -19 -13 8  o 145.5670 4.740242  4533.771       249.2841 4586.649       
502.5967 4516.518       287.0855 145.2807 8.240105 145.8532 4.688310 
-0.5724945     9.480484 
1 1 1 -19 -13 9  o 70.83841 4.388722  1093.037       117.8321 1038.260       
217.0030 1115.941       140.3207 69.21288 7.467924 72.46394 4.612336 -3.251053 
8.777445 
1 1 1 -19 -13 10 o 59.50378 4.818633  821.8210       103.3073 649.7631       
194.5540 889.3837       121.9146 54.34594 8.526957 64.66161 4.490867 -10.31567 
9.637265 
1 1 1 -19 -13 11 o 60.83107 4.017967  803.5016       98.58195 766.8209       
161.5983 825.2439       124.4144 59.49829 6.469240 62.16386 4.767093 -2.665565 
8.035934 
1 1 1 -19 -13 12 o 107.8348 3.608580  2487.199       158.8148 2545.519       
257.7578 2451.511       201.6345 108.5677 5.654995 107.1018 4.484242 1.465904 
7.217160 
1 1 1 -19 -13 13 f 61.74982 4.133830  767.9997       100.5029 1013.937       
184.9005 664.8678       119.7353 67.99635 6.476994 55.50330 5.138360 12.49305 
8.267659 
1 1 1 -19 -13 14 o 36.53230 5.757655  320.6753       87.83282 231.8170       
133.5349 388.4336       116.6075 31.18278 9.414002 41.88181 6.631660 -10.69903 
11.51531 
1 1 1 -19 -13 15 o 46.71316 5.287136  527.4567       95.30502 367.3833       
144.3474 651.1646       126.8960 38.94180 9.002259 54.48452 5.547482 -15.54273 
10.57427 
1 1 1 -19 -13 16 o 48.25814 4.617261  507.6872       92.01967 626.6929       
146.9430 430.9083       118.0283 52.70899 6.640263 43.80730 6.417423 8.901691 
9.234523 
1 1 1 -19 -13 17 f 24.36458 6.448619  127.5909       87.99146 137.8713       
136.0766 120.2034       115.3529 25.11722 9.469945 23.61194 8.755507 1.505281 
12.89724 
1 1 1 -19 -13 18 o 55.61285 5.463027  783.2591       107.9416 620.4498       
192.9335 857.4402       130.2310 49.00998 9.722159 62.21571 4.985808 -13.20573 
10.92605 
1 1 1 -19 -13 19 o 20.52253 6.304353  38.93799       99.25855 -72.97603      
190.9065 80.40018       116.1996 19.95009 9.305923 21.09496 8.507602 -1.144869 
12.60871 
1 1 1 -19 -13 20 o 19.96366 6.204746  31.21037       100.2303 -58.48413      
177.8880 72.93089       121.3217 19.27437 8.987740 20.65294 8.556638 -1.378572 
12.40949 
1 1 1 -19 -13 21 o 66.97363 5.427892  1131.893       135.8676 1169.506       
254.1545 1116.843       160.7684 64.85277 9.334485 69.09451 5.542150 -4.241737 
10.85578 
1 1 1 -19 -13 22 o 28.16405 6.913697  269.1985       113.1928 105.4666       
209.5985 336.6120       134.4914 22.72962 10.28002 33.59848 9.247594 -10.86887 
13.82739 
1 1 1 -19 -12 1  o 109.1556 5.793963  2519.893       261.7607 2700.478       
411.4883 2397.145       339.2525 112.2753 8.729598 106.0359 7.620639 6.239487 
11.58793 
1 1 1 -19 -12 2  o 100.2439 4.900502  2126.622       205.4414 2249.423       
307.2321 2027.304       276.2993 102.8135 7.117662 97.67419 6.737846 5.139343 
9.801004 
1 1 1 -19 -12 3  o 61.20036 4.928677  696.3647       115.2376 1058.149       
228.5937 573.0974       133.4330 70.41843 7.732129 51.98228 6.114050 18.43615 
9.857353 
1 1 1 -19 -12 4  o 70.89090 4.832079  1036.564       136.9504 1175.466       
238.5708 968.2955       167.2526 74.20368 7.657957 67.57813 5.895053 6.625557 
9.664158 
1 1 1 -19 -12 5  o 71.91901 4.875143  1095.770       138.4962 1120.024       
241.7841 1083.925       168.9619 72.33267 7.961857 71.50536 5.628223 0.8273163 
9.750285 
1 1 1 -19 -12 6  o 58.67976 5.443570  802.1360       113.4048 626.2090       
206.9912 877.5923       135.5605 52.98753 9.662793 64.37200 5.015998 -11.38448 
10.88714 
1 1 1 -19 -12 7  o 34.04592 6.931624  259.0415       98.92958 238.9906       
184.7025 267.1079       117.1510 33.56089 11.18287 34.53096 8.193479 
-0.9700699     13.86325 
1 1 1 -19 -12 8  o 104.0428 4.569088  2259.121       161.2319 2416.634       
360.2203 2219.659       180.3009 105.6767 8.119141 102.4089 4.193544 3.267769 
9.138176 
1 1 1 -19 -12 9  o 69.25209 4.322818  1012.551       117.7375 1068.092       
208.7416 986.6379       142.5823 70.39822 7.062660 68.10596 4.986567 2.292267 
8.645636 
1 1 1 -19 -12 10 o 48.57462 5.638329  541.0213       102.4674 471.5226       
179.4202 574.6608       124.8266 45.33868 9.707259 51.81056 5.738653 -6.471878 
11.27666 
1 1 1 -19 -12 11 o 60.35496 4.455972  830.3378       104.6138 644.3236       
172.4298 938.6915       131.6017 54.34591 7.557298 66.36401 4.723347 -12.01810 
8.911944 
1 1 1 -19 -12 12 o 68.33492 3.879766  1019.735       107.0215 941.2297       
173.3731 1068.065       136.0323 65.93211 6.263339 70.73772 4.580493 -4.805611 
7.759531 
1 1 1 -19 -12 13 o 40.10976 6.238203  394.0913       96.09042 302.9362       
177.7538 431.7280       114.2178 35.65019 10.88123 44.56934 6.104055 -8.919155 
12.47641 
1 1 1 -19 -12 14 o 32.92994 6.578115  254.5216       92.23218 266.2188       
154.9940 248.1087       114.7631 33.34521 10.15739 32.51467 8.361445 0.8305473 
13.15623 
1 1 1 -19 -12 15 o 37.80187 5.820728  351.1207       90.64950 242.5678       
141.7744 426.1894       117.8980 31.71345 9.725548 43.89030 6.398219 -12.17685 
11.64146 
1 1 1 -19 -12 16 o 31.05064 6.443284  227.0041       88.11598 283.3231       
141.0283 190.9380       112.8569 33.83620 9.525630 28.26509 8.679055 5.571104 
12.88657 
1 1 1 -19 -12 17 o 27.38000 6.548481  179.3634       88.59145 173.2855       
141.4329 183.2879       113.6496 27.22943 9.740307 27.53058 8.755388 
-0.3011436     13.09696 
1 1 1 -19 -12 18 o 51.04207 5.411086  662.0432       101.2029 475.4333       
168.0929 768.1467       126.7497 43.15394 9.532762 58.93019 5.123069 -15.77626 
10.82217 
1 1 1 -19 -12 19 o 19.33613 6.202090  -22.76265      106.4213 -54.56536      
179.0601 -5.393612      132.3288 19.95945 9.194926 18.71280 8.325684 1.246647 
12.40418 
1 1 1 -19 -12 20 o 66.78364 5.289515  1130.609       129.4152 921.1273       
233.3684 1223.640       155.5194 59.66588 9.316161 73.90139 5.012484 -14.23551 
10.57903 
1 1 1 -19 -12 21 o 18.13280 5.967811  -44.32093      104.5135 -47.10368      
181.3288 -42.93660      127.8946 19.46980 9.077081 16.79580 7.750206 2.674006 
11.93562 
1 1 1 -19 -12 22 o 27.29262 7.245559  239.7278       116.1705 176.8081       
188.0735 278.5436       147.7199 24.81735 10.48693 29.76789 10.00084 -4.950535 
14.49112 
1 1 1 -19 -11 1  o 36.17587 7.188853  284.3212       124.7992 108.8290       
181.1337 442.9129       172.1911 27.77710 10.80549 44.57464 9.484715 -16.79754 
14.37771 
1 1 1 -19 -11 2  o 55.69882 6.003862  664.1468       140.0757 667.9758       
192.0836 659.7977       204.7130 55.90805 8.183459 55.48959 8.787289 0.4184608 
12.00772 
1 1 1 -19 -11 3  o 111.4579 4.783331  2644.174       207.2736 2629.179       
370.3776 2651.010       250.1058 110.9671 7.950082 111.9488 5.321391 
-0.9817734     9.566662 
1 1 1 -19 -11 4  o 67.63454 4.715139  929.9072       127.4930 1110.143       
224.0526 843.6016       155.0415 72.17542 7.394039 63.09367 5.853064 9.081745 
9.430279 
1 1 1 -19 -11 5  o 147.1715 5.283512  4426.694       278.2691 5000.618       
584.8075 4258.718       316.3813 152.4930 9.134487 141.8499 5.312545 10.64304 
10.56702 
1 1 1 -19 -11 6  o 84.64272 4.129857  1416.682       125.6200 1725.859       
266.9172 1328.717       142.3732 89.95744 7.067415 79.32799 4.274869 10.62945 
8.259713 
1 1 1 -19 -11 7  o 68.15669 4.625396  986.7386       114.7860 997.8713       
229.0626 983.0057       132.6420 68.15028 8.005851 68.16311 4.635031 
-0.1282501E-01 9.250793 
1 1 1 -19 -11 8  o 225.4366 9.111712  11214.40       685.0180 11739.81       
1539.195 11084.63       764.9508 224.1539 16.35567 226.7191 8.036489 -2.565201 
18.22342 
1 1 1 -19 -11 9  o 91.95038 4.181467  1723.645       141.3983 1977.354       
286.2628 1641.767       162.6216 95.87917 7.111506 88.02158 4.400583 7.857590 
8.362933 
1 1 1 -19 -11 10 o 81.37392 4.083886  1396.663       125.9850 1460.689       
237.8942 1371.707       148.5221 82.34223 6.881487 80.40561 4.399729 1.936623 
8.167771 
1 1 1 -19 -11 11 o 42.09554 6.223345  389.7082       97.90450 414.4272       
187.9035 380.4968       114.7048 42.17010 10.61349 42.02099 6.501840 0.1491051 
12.44669 
1 1 1 -19 -11 12 f 133.5059 4.620970  3884.819       229.5071 3793.792       
438.0770 3919.254       269.4435 131.4684 7.936889 135.5434 4.734895 -4.075073 
9.241940 
1 1 1 -19 -11 13 o 105.8657 4.103592  2331.142       162.1256 2619.342       
318.8522 2230.650       188.2813 109.4822 6.936924 102.2492 4.385996 7.233002 
8.207184 
1 1 1 -19 -11 14 o 29.80016 6.541003  216.5687       91.58494 96.92577       
179.6663 258.5717       106.4542 26.10985 10.55870 33.49046 7.723516 -7.380608 
13.08201 
1 1 1 -19 -11 15 o 35.23866 5.555326  235.4150       87.44620 529.1467       
149.3161 82.08043       107.8826 48.67282 7.307037 21.80450 8.369816 26.86831 
11.11065 
1 1 1 -19 -11 16 o 26.66865 6.541446  161.1917       89.42696 132.0141       
142.2125 180.2753       115.0118 25.61947 9.674678 27.71783 8.806968 -2.098356 
13.08289 
1 1 1 -19 -11 17 o 23.66164 6.325255  106.1957       91.94912 -1.726700      
151.0173 169.7737       115.9109 20.48937 9.030813 26.83390 8.858884 -6.344526 
12.65051 
1 1 1 -19 -11 18 o 59.43829 4.548358  821.6982       108.2034 705.4940       
173.0803 896.2517       138.6345 55.13178 7.477678 63.74481 5.180212 -8.613033 
9.096717 
1 1 1 -19 -11 19 o 29.67985 5.910366  146.9769       94.77445 453.3061       
154.4361 -38.08183      120.0354 42.38399 8.955862 16.97570 7.715066 25.40829 
11.82073 
1 1 1 -19 -11 20 o 26.90922 7.120193  140.8965       104.0040 312.2690       
188.7424 66.17101       124.6331 32.94540 11.30322 20.87305 8.661744 12.07235 
14.24039 
1 1 1 -19 -11 21 o 19.61707 6.310707  -16.92520      108.4422 34.37233       
184.4148 -44.03841      134.0720 21.90529 9.784949 17.32884 7.972128 4.576454 
12.62141 
1 1 1 -19 -11 22 o 54.67995 6.133020  806.5928       129.7682 744.5350       
210.6420 844.5524       164.7435 50.46296 10.29888 58.89694 6.662490 -8.433975 
12.26604 
1 1 1 -19 -11 23 o 30.12612 7.584949  272.7787       122.2706 489.8047       
203.4121 150.0014       152.9959 36.87440 11.71193 23.37783 9.641395 13.49658 
15.16990 
1 1 1 -19 -10 1  o 61.86230 8.183206  818.0784       212.5340 0.000000       
0.000000 818.0784       212.5340 ?        ?        61.86230 8.183206 ? ? 
1 1 1 -19 -10 2  o 73.58213 7.259132  1152.755       224.2518 1152.755       
224.2518 0.000000       0.000000 73.58213 7.259132 ?        ?        ? ? 
1 1 1 -19 -10 3  o 71.30656 4.860174  1072.525       141.5987 1117.224       
230.2309 1045.330       179.5788 72.39608 7.574774 70.21703 6.091631 2.179047 
9.720348 
1 1 1 -19 -10 4  o 33.79942 6.985193  231.3118       103.2402 337.9340       
172.9944 172.3329       128.6639 38.87329 10.39506 28.72556 9.333514 10.14772 
13.97039 
1 1 1 -19 -10 5  o 142.1435 5.029664  4254.206       250.7650 4388.831       
530.9458 4215.554       284.4951 143.0320 8.841745 141.2549 4.797248 1.777084 
10.05933 
1 1 1 -19 -10 6  f 98.58587 4.368330  1929.974       156.7599 2337.539       
326.3294 1807.713       178.7326 104.6657 7.426304 92.50600 4.602087 12.15974 
8.736659 
1 1 1 -19 -10 7  f 27.56813 7.164218  137.4968       104.5212 89.94923       
191.8763 157.5588       124.6363 27.49020 10.99621 27.64606 9.186267 
-0.1558609     14.32844 
1 1 1 -19 -10 8  o 157.2581 6.266771  5134.033       324.1320 5704.273       
759.1666 5006.909       358.4455 160.9861 11.23233 153.5300 5.560974 7.456024 
12.53354 
1 1 1 -19 -10 9  o 90.17709 4.467290  1724.272       147.5261 1764.367       
292.6229 1710.608       170.8239 90.49181 7.702293 89.86237 4.527847 0.6294403 
8.934580 
1 1 1 -19 -10 10 o 29.53278 6.839127  165.5515       94.49537 265.1352       
164.6964 116.6812       115.3752 34.36919 10.47072 24.69636 8.801062 9.672827 
13.67825 
1 1 1 -19 -10 11 o 125.0116 5.207805  3294.615       215.8304 3533.269       
495.9183 3238.848       239.7244 126.5740 9.332256 123.4492 4.625356 3.124840 
10.41561 
1 1 1 -19 -10 12 o 96.74155 3.715752  2016.828       147.2420 1921.551       
232.2533 2080.855       190.3934 94.60827 5.847280 98.87482 4.586563 -4.266548 
7.431503 
1 1 1 -19 -10 13 o 40.92674 5.987383  382.4550       96.68728 361.0239       
163.7971 393.9158       119.7820 39.26577 9.925455 42.58772 6.699282 -3.321953 
11.97477 
1 1 1 -19 -10 14 o 38.43030 6.599016  370.8050       101.5155 248.6911       
195.7886 415.7044       118.7205 33.19233 11.50020 43.66827 6.475611 -10.47593 
13.19803 
1 1 1 -19 -10 15 o 21.87188 6.079419  67.19343       86.46970 -49.08624      
149.7826 125.3185       105.8988 19.40342 8.737450 24.34033 8.455431 -4.936914 
12.15884 
1 1 1 -19 -10 16 o 36.39928 6.205614  307.8451       92.27382 365.2083       
147.8916 271.2798       118.0756 38.96769 9.180175 33.83086 8.352424 5.136826 
12.41123 
1 1 1 -19 -10 17 o 87.72058 4.143297  1654.151       140.6370 1818.041       
258.4881 1585.237       167.6173 89.93621 6.845845 85.50496 4.669266 4.431252 
8.286594 
1 1 1 -19 -10 18 o 20.13187 6.117324  24.61110       92.70087 -5.548976      
146.3506 44.81994       119.7978 19.99596 8.841757 20.26777 8.456356 
-0.2718048     12.23465 
1 1 1 -19 -10 19 f 83.46666 4.449285  1578.898       138.0737 1574.943       
263.1227 1580.401       162.1999 81.91771 7.650706 85.01560 4.544363 -3.097893 
8.898570 
1 1 1 -19 -10 20 o 17.28653 5.561153  -41.86751      88.73884 -6.452969      
130.5054 -72.32207      121.0219 18.58896 8.269425 15.98410 7.437897 2.604865 
11.12231 
1 1 1 -19 -10 21 o 24.48966 6.904659  122.7556       107.3496 196.9728       
164.0262 67.14848       141.9797 27.46478 10.38471 21.51453 9.102477 5.950247 
13.80932 
1 1 1 -19 -10 22 o 48.58780 6.347010  638.0479       122.3714 554.2358       
191.0371 696.3676       159.3574 43.68071 10.52580 53.49490 7.095468 -9.814194 
12.69402 
1 1 1 -19 -10 23 o 23.62101 7.108960  142.3373       122.8183 122.0456       
199.8277 154.6563       155.6983 23.37470 10.33422 23.86732 9.764889 
-0.4926224     14.21792 
1 1 1 -19 -9  1  o 63.63613 4.468815  860.8812       119.1815 903.4803       
166.7844 816.4314       170.3689 65.27266 6.086186 61.99960 6.545194 3.273056 
8.937630 
1 1 1 -19 -9  2  o 45.10429 8.114609  449.8316       157.6317 303.9442       
214.5996 620.7785       232.3008 37.58273 12.03912 52.62585 10.88334 -15.04311 
16.22922 
1 1 1 -19 -9  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -9  4  o 60.07516 4.820198  773.8133       110.2607 750.8012       
202.9915 783.4446       131.3227 59.27541 8.156883 60.87491 5.138335 -1.599499 
9.640396 
1 1 1 -19 -9  5  o 66.73755 4.888513  1039.718       121.9804 711.4297       
206.8898 1214.644       151.0215 57.64104 8.549257 75.83405 4.743464 -18.19300 
9.777026 
1 1 1 -19 -9  6  o 161.3185 5.054492  5371.002       288.0456 5866.484       
612.1036 5230.068       326.4507 165.3419 8.817856 157.2951 4.943375 8.046875 
10.10898 
1 1 1 -19 -9  7  o 163.9036 6.408261  5804.276       359.7499 5742.074       
776.7988 5821.261       405.9025 162.1522 11.41055 165.6550 5.836308 -3.502808 
12.81652 
1 1 1 -19 -9  8  o 89.75160 4.256456  1699.767       145.3080 1743.051       
271.7887 1682.444       171.9454 90.30890 7.168394 89.19430 4.591712 1.114601 
8.512913 
1 1 1 -19 -9  9  o 73.41768 4.397436  1130.249       123.6710 1196.519       
230.2380 1103.375       146.6182 74.67993 7.343349 72.15543 4.839939 2.524506 
8.794872 
1 1 1 -19 -9  10 o 50.06045 6.044293  539.7458       102.7217 579.2075       
220.0775 528.7542       116.1500 50.29605 10.73792 49.82484 5.552573 0.4712029 
12.08859 
1 1 1 -19 -9  11 o 126.2326 4.982853  3323.298       224.8144 3654.601       
469.5623 3224.770       256.0710 129.3407 8.647274 123.1245 4.953783 6.216179 
9.965707 
1 1 1 -19 -9  12 o 34.47984 6.164654  258.1328       87.93203 340.8913       
143.0100 207.8262       111.4995 38.62842 8.980542 30.33125 8.447585 8.297169 
12.32931 
1 1 1 -19 -9  13 o 107.7375 4.276865  2488.205       178.9618 2530.907       
321.6605 2469.061       215.3738 107.8874 7.101470 107.5877 4.768167 0.2996979 
8.553730 
1 1 1 -19 -9  14 o 99.83717 4.485503  2190.880       170.1514 2092.276       
311.9582 2232.636       203.0067 97.49651 7.621288 102.1778 4.732326 -4.681343 
8.971005 
1 1 1 -19 -9  15 o 52.08348 5.098069  548.8539       105.6283 768.5482       
190.5051 451.3318       126.9255 58.78994 7.718353 45.37701 6.662452 13.41293 
10.19614 
1 1 1 -19 -9  16 o 52.04949 4.634168  578.5218       99.45408 755.3290       
156.2295 458.0509       128.9597 58.60015 6.350170 45.49883 6.751104 13.10132 
9.268336 
1 1 1 -19 -9  17 o 30.31468 6.578203  223.0836       91.17150 192.4116       
151.3745 240.5438       114.2104 28.89475 10.10232 31.73461 8.428174 -2.839861 
13.15641 
1 1 1 -19 -9  18 o 19.23103 5.825557  14.48662       85.73967 -41.47663      
130.8996 56.53757       113.4684 17.94881 8.120558 20.51324 8.354939 -2.564423 
11.65111 
1 1 1 -19 -9  19 o 37.25192 6.194417  357.4016       97.87441 250.6034       
155.4928 427.4811       125.9574 31.29181 10.26058 43.21202 6.942889 -11.92021 
12.38883 
1 1 1 -19 -9  20 o 56.04983 4.872043  709.0284       110.2137 795.3599       
186.7119 662.8602       136.5396 57.97822 7.670579 54.12144 6.009110 3.856777 
9.744085 
1 1 1 -19 -9  21 o 54.57198 4.854465  692.2766       108.3780 725.2182       
174.8750 671.7343       138.0958 54.99766 7.573638 54.14630 6.074810 0.8513603 
9.708929 
1 1 1 -19 -9  22 o 25.96906 6.852916  174.2549       99.90556 179.4463       
148.8318 169.9971       134.7858 26.24904 9.901729 25.68909 9.476582 0.5599442 
13.70583 
1 1 1 -19 -9  23 o 26.53452 7.143892  199.9617       117.5808 93.30842       
174.2195 289.1789       159.3434 22.49938 9.810917 30.56966 10.38685 -8.070276 
14.28778 
1 1 1 -19 -9  24 o 24.48404 7.209049  173.2457       118.7300 195.4777       
204.5022 161.9416       145.8237 25.14428 10.79063 23.82380 9.562628 1.320471 
14.41810 
1 1 1 -19 -8  1  o 160.9295 5.708365  5463.944       360.4947 5731.695       
641.1420 5340.162       435.9307 163.2924 9.352106 158.5667 6.548269 4.725647 
11.41673 
1 1 1 -19 -8  2  o 92.79120 4.591137  1828.092       177.7858 1831.194       
266.4250 1825.601       238.7067 92.80411 6.837996 92.77829 6.128291 
0.2581787E-01  9.182274 
1 1 1 -19 -8  3  f 215.9527 8.840186  9777.471       589.5118 10859.55       
1489.813 9576.592       641.9026 219.8058 16.14409 212.0995 7.208592 7.706284 
17.68037 
1 1 1 -19 -8  4  o 93.58687 4.494729  1848.568       176.6027 0.000000       
0.000000 1848.568       176.6027 ?        ?        93.58687 4.494729 ? ? 
1 1 1 -19 -8  5  o 93.43883 7.446846  1860.308       292.1317 1860.308       
292.1317 0.000000       0.000000 93.43883 7.446846 ?        ?        ? ? 
1 1 1 -19 -8  6  f 46.96213 5.853741  411.8398       105.3314 696.2333       
199.6376 302.1315       123.9945 57.04138 8.336302 36.88287 8.220171 20.15850 
11.70748 
1 1 1 -19 -8  7  o 22.63597 6.707741  31.81058       102.0514 -79.38802      
200.1289 70.88583       118.6345 22.71278 10.16821 22.55915 8.751155 0.1536255 
13.41548 
1 1 1 -19 -8  8  o 64.92030 4.872156  854.9001       111.7835 981.1655       
240.0800 819.9500       126.3104 67.57965 8.461766 62.26096 4.832195 5.318691 
9.744311 
1 1 1 -19 -8  9  f 60.09504 5.242178  801.7820       119.5063 705.2192       
215.0385 844.9326       143.7490 57.09758 8.970562 63.09249 5.426855 -5.994904 
10.48436 
1 1 1 -19 -8  10 o 85.88660 4.356626  1541.565       137.2932 1642.634       
274.2721 1507.773       158.5932 87.39324 7.475235 84.37996 4.476786 3.013283 
8.713251 
1 1 1 -19 -8  11 o 39.51825 6.949409  354.9229       106.6261 347.8728       
202.0889 357.6427       125.5192 38.99005 11.54293 40.04645 7.741964 -1.056400 
13.89882 
1 1 1 -19 -8  12 o 55.24417 5.222977  636.6658       111.7912 724.6976       
207.0025 600.4200       132.8263 57.54978 8.567478 52.93856 5.976307 4.611221 
10.44595 
1 1 1 -19 -8  13 o 147.2380 4.412305  4535.389       240.9241 4956.458       
475.6814 4390.107       279.4131 150.8761 7.509601 143.5999 4.634614 7.276138 
8.824610 
1 1 1 -19 -8  14 o 18.60444 5.908426  -64.96156      89.40804 17.70794       
159.8657 -102.5880      107.8523 22.48692 9.591688 14.72196 6.901993 7.764960 
11.81685 
1 1 1 -19 -8  15 o 31.02882 7.106871  186.7737       92.26032 304.2651       
194.3410 152.5903       104.8259 35.82840 11.45473 26.22923 8.415444 9.599176 
14.21374 
1 1 1 -19 -8  16 o 73.68559 4.102739  1151.046       122.5584 1299.879       
206.3364 1069.913       152.3440 76.99478 6.383159 70.37639 5.156079 6.618393 
8.205478 
1 1 1 -19 -8  17 o 27.95950 6.779765  158.0282       92.90287 253.6897       
159.7635 109.1542       114.1952 32.39211 10.38883 23.52688 8.713958 8.865227 
13.55953 
1 1 1 -19 -8  18 o 33.17851 6.700726  273.3814       96.78767 250.6878       
159.5498 286.5954       121.7479 31.86375 10.39358 34.49328 8.460051 -2.629532 
13.40145 
1 1 1 -19 -8  19 o 23.79242 6.294804  92.46243       89.17178 203.5051       
136.9441 10.72183       117.4944 28.85689 9.629162 18.72796 8.110330 10.12893 
12.58961 
1 1 1 -19 -8  20 o 23.98180 5.948071  105.2053       91.63818 -95.19264      
145.7428 236.2338       117.8483 17.26706 8.082283 30.69654 8.728968 -13.42948 
11.89614 
1 1 1 -19 -8  21 o 67.44094 4.548696  1112.787       117.0251 829.0054       
193.7184 1275.860       146.8486 58.76874 7.851372 76.11314 4.595485 -17.34440 
9.097391 
1 1 1 -19 -8  22 f 74.75085 4.097868  1294.975       126.2573 1075.188       
183.2719 1493.505       174.1840 67.92165 6.427007 81.58007 5.085636 -13.65842 
8.195737 
1 1 1 -19 -8  23 o 17.01393 5.624046  -66.01337      98.94721 -49.64223      
151.5079 -78.18909      130.6602 17.97695 8.348606 16.05091 7.537928 1.926037 
11.24809 
1 1 1 -19 -8  24 o 32.15837 7.236238  329.0693       111.0697 375.2461       
157.9397 283.8886       156.2269 34.60437 10.19211 29.71236 10.27490 4.892015 
14.47248 
1 1 1 -19 -7  1  o 66.89871 4.896693  955.1668       135.7442 1154.546       
195.1198 768.1567       188.9704 73.76363 6.300573 60.03380 7.497545 13.72982 
9.793386 
1 1 1 -19 -7  2  o 63.73851 4.749270  879.0392       124.7141 725.6722       
182.7827 1012.631       170.5923 58.35035 7.461268 69.12668 5.878072 -10.77633 
9.498540 
1 1 1 -19 -7  3  o 58.91533 4.276516  763.5604       100.7016 630.6104       
161.0401 848.9282       129.0436 54.44099 7.045777 63.38966 4.848854 -8.948666 
8.553033 
1 1 1 -19 -7  4  o 38.06287 6.052556  316.2166       92.84209 354.2504       
147.9273 291.4980       119.2546 39.87488 9.042645 36.25087 8.047626 3.624004 
12.10511 
1 1 1 -19 -7  5  o 80.29034 4.409399  1336.748       131.8456 1434.504       
258.0793 1302.224       153.3701 82.04721 7.492219 78.53349 4.651649 3.513725 
8.818797 
1 1 1 -19 -7  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -7  7  o 27.36781 7.181285  110.1452       101.7671 190.1232       
190.9569 78.41946       120.2696 31.68561 11.31952 23.05002 8.840350 8.635590 
14.36257 
1 1 1 -19 -7  8  o 93.00209 4.452011  1940.254       151.6213 1621.519       
284.7748 2066.354       179.1204 87.07393 7.789948 98.93026 4.312577 -11.85633 
8.904022 
1 1 1 -19 -7  9  o 57.80094 5.740875  781.0872       114.8986 619.6447       
218.8184 842.5442       135.0082 52.53780 10.28733 63.06409 5.099165 -10.52629 
11.48175 
1 1 1 -19 -7  10 o 97.25745 4.414515  1965.800       158.3046 2126.969       
315.0714 1911.374       183.0932 99.50339 7.542099 95.01150 4.590048 4.491890 
8.829031 
1 1 1 -19 -7  11 o 97.08091 4.156636  1970.315       153.7549 2109.354       
289.5757 1915.726       181.4446 99.10019 6.959991 95.06163 4.546318 4.038559 
8.313272 
1 1 1 -19 -7  12 f 59.98684 5.199398  796.9214       116.5777 733.3894       
217.3569 822.5775       138.1251 57.85102 8.949184 62.12267 5.295948 -4.271645 
10.39880 
1 1 1 -19 -7  13 o 56.51685 4.430865  668.7404       102.5130 768.0824       
168.6469 610.5247       129.1018 59.65292 6.733917 53.38078 5.760611 6.272148 
8.861731 
1 1 1 -19 -7  14 o 166.9921 5.411103  6023.457       320.0639 6244.476       
665.5887 5956.976       365.0406 167.1496 9.484657 166.8345 5.211663 0.3150787 
10.82221 
1 1 1 -19 -7  15 o 80.89659 4.165081  1344.107       123.1876 1561.368       
251.8985 1275.815       141.2275 84.45253 7.104507 77.34066 4.349431 7.111870 
8.330161 
1 1 1 -19 -7  16 o 59.53622 4.752357  802.3479       110.6695 702.7888       
187.6019 855.4873       137.0582 56.08554 7.967229 62.98690 5.182936 -6.901360 
9.504713 
1 1 1 -19 -7  17 o 28.37411 6.726458  150.7905       95.16115 296.0827       
160.9193 72.65736       118.0062 34.88412 10.29203 21.86410 8.663426 13.02003 
13.45292 
1 1 1 -19 -7  18 f 55.39064 4.783482  692.3704       108.1352 653.1956       
171.0132 718.4684       139.5822 53.63288 7.594857 57.14839 5.817642 -3.515511 
9.566964 
1 1 1 -19 -7  19 o 40.25888 5.841472  401.4757       95.58352 290.7215       
145.7081 485.1388       126.6398 34.03400 9.715023 46.48377 6.489182 -12.44978 
11.68294 
1 1 1 -19 -7  20 o 70.58176 4.371299  1155.847       121.7449 1002.146       
201.3618 1244.406       152.8453 65.83361 7.285349 75.32990 4.832878 -9.496284 
8.742598 
1 1 1 -19 -7  21 o 31.95527 6.752241  277.4135       103.6269 165.7083       
167.5694 346.5879       131.8653 26.77638 10.39779 37.13416 8.617245 -10.35778 
13.50448 
1 1 1 -19 -7  22 o 27.45396 6.477503  197.1016       92.67387 112.9159       
145.0719 255.1413       120.4555 23.58596 9.508554 31.32196 8.798840 -7.735996 
12.95501 
1 1 1 -19 -7  23 o 72.73548 3.756757  1189.526       112.4821 907.2155       
151.6221 1535.066       167.7445 62.75097 5.755236 82.71999 4.830130 -19.96903 
7.513514 
1 1 1 -19 -7  24 o 15.21297 5.045873  -120.2424      88.47795 -292.0360      
130.1558 27.34685       120.6389 12.12080 6.060402 18.30514 8.069377 -6.184331 
10.09175 
1 1 1 -19 -7  25 o 21.11906 6.514694  56.37474       117.1423 189.7284       
162.8002 -86.79358      168.6848 24.92832 10.06326 17.30980 8.276216 7.618515 
13.02939 
1 1 1 -19 -6  1  o 91.54175 4.108017  1756.981       156.9791 2035.452       
235.0147 1532.649       210.9362 98.03802 5.709808 85.04548 5.907733 12.99255 
8.216035 
1 1 1 -19 -6  2  f 31.46864 6.196469  222.9527       81.52316 185.0845       
149.3016 239.0392       97.31020 30.06268 10.05424 32.87460 7.245497 -2.811920 
12.39294 
1 1 1 -19 -6  3  f 179.2272 6.018472  6739.572       404.6010 7188.697       
780.8369 6574.725       473.0617 182.4674 10.19286 175.9871 6.402626 6.480316 
12.03694 
1 1 1 -19 -6  4  o 217.4802 5.722700  10112.40       509.5012 10069.34       
814.9202 10140.04       652.8286 216.6725 8.958437 218.2879 7.123454 -1.615341 
11.44540 
1 1 1 -19 -6  5  o 156.5839 3.974621  5168.922       252.8432 5276.773       
415.3244 5105.413       318.7090 157.7143 6.272455 155.4536 4.883313 2.260651 
7.949242 
1 1 1 -19 -6  6  o 73.60658 4.498363  1139.609       116.9091 1168.883       
245.0401 1130.982       133.0253 73.99802 7.887477 73.21515 4.327674 0.7828751 
8.996725 
1 1 1 -19 -6  7  o 86.56366 4.691489  1582.677       170.5004 0.000000       
0.000000 1582.677       170.5004 ?        ?        86.56366 4.691489 ? ? 
1 1 1 -19 -6  8  o 138.9592 5.425687  3955.292       255.7659 4420.072       
577.4794 3841.871       285.2713 143.1454 9.609042 134.7731 5.041690 8.372375 
10.85137 
1 1 1 -19 -6  9  o 187.5512 5.630222  7445.649       403.8848 7773.995       
750.8426 7311.963       479.1024 189.6390 9.430663 185.4633 6.153063 4.175735 
11.26044 
1 1 1 -19 -6  10 o 69.37949 4.739159  1076.886       121.4747 920.8438       
226.3377 1140.018       143.9657 65.37529 8.246399 73.38367 4.672839 -8.008385 
9.478318 
1 1 1 -19 -6  11 o 106.6657 4.793674  2446.513       185.2729 2420.060       
369.9543 2455.369       214.0489 105.7241 8.334798 107.6072 4.737975 -1.883087 
9.587349 
1 1 1 -19 -6  12 f 75.00036 4.409403  1115.453       124.9550 1415.352       
247.0386 1012.345       144.8512 81.00459 7.264006 68.99613 5.000556 12.00845 
8.818807 
1 1 1 -19 -6  13 o 37.44955 6.216227  328.1815       94.43745 274.3472       
154.3702 360.3787       119.3833 34.68232 10.03210 40.21677 7.343215 -5.534443 
12.43245 
1 1 1 -19 -6  14 o 81.98975 3.760921  1459.219       124.7058 1353.992       
201.5790 1524.460       158.7253 79.33228 6.052245 84.64722 4.466369 -5.314941 
7.521843 
1 1 1 -19 -6  15 o 105.6357 4.427293  2397.691       170.8931 2451.508       
339.2319 2379.388       197.8294 105.6382 7.648860 105.6331 4.460789 
0.5050659E-02  8.854587 
1 1 1 -19 -6  16 o 34.06383 6.190558  291.2210       95.70028 128.3644       
165.9904 372.3076       117.1264 26.89789 10.36853 41.22977 6.766516 -14.33188 
12.38112 
1 1 1 -19 -6  17 o 28.56664 6.368727  154.0692       89.91517 312.9606       
146.8863 58.84943       113.7089 36.12943 9.541086 21.00384 8.438627 15.12559 
12.73745 
1 1 1 -19 -6  18 o 49.84014 4.997926  547.7732       103.7639 629.3403       
159.1661 487.4838       136.8401 52.97967 7.155867 46.70061 6.979300 6.279060 
9.995852 
1 1 1 -19 -6  19 o 20.86544 6.161490  42.40569       91.37329 -8.749712      
139.6644 80.68644       120.8176 19.62777 8.663508 22.10311 8.763531 -2.475346 
12.32298 
1 1 1 -19 -6  20 o 60.09744 4.980978  868.2911       116.7017 667.3585       
188.2232 993.7711       148.7426 53.06084 8.449286 67.13403 5.277322 -14.07319 
9.961956 
1 1 1 -19 -6  21 o 41.44336 5.388158  410.5089       91.42068 451.4475       
128.2426 368.2072       130.3601 44.22812 6.906452 38.65859 8.272238 5.569527 
10.77632 
1 1 1 -19 -6  22 o 31.51791 5.981262  255.7640       82.09581 204.3704       
120.1199 300.8122       112.4603 28.21300 9.004086 34.82282 7.875813 -6.609819 
11.96252 
1 1 1 -19 -6  23 o 25.26694 6.555374  158.6162       92.23675 121.5956       
130.7490 195.2915       130.1380 23.34154 9.159799 27.19234 9.380287 -3.850801 
13.11075 
1 1 1 -19 -6  24 o 32.29689 6.098978  283.2913       84.66598 252.6402       
118.4949 315.2608       121.0165 30.30747 8.796796 34.28631 8.450237 -3.978844 
12.19796 
1 1 1 -19 -6  25 o 24.76299 6.574505  179.2005       92.67937 181.5826       
125.4855 176.3418       137.4696 24.95684 9.150052 24.56914 9.443148 0.3877048 
13.14901 
1 1 1 -19 -5  1  o 124.2869 4.586911  3277.882       238.2224 3262.642       
321.4052 3296.461       354.8698 124.0326 6.172174 124.5411 6.786992 
-0.5085297     9.173821 
1 1 1 -19 -5  2  o 59.07207 4.286066  721.8357       101.3569 799.2529       
175.2951 682.9543       124.2286 61.31605 6.809522 56.82809 5.206905 4.487961 
8.572132 
1 1 1 -19 -5  3  o 109.6943 3.481197  2531.201       155.3261 2589.226       
254.5302 2496.771       196.0664 110.6043 5.481360 108.7843 4.292973 1.820030 
6.962394 
1 1 1 -19 -5  4  o 21.51469 6.236014  34.50418       86.95421 52.94004       
144.6828 24.07990       108.7948 23.40673 9.471197 19.62266 8.114673 3.784067 
12.47203 
1 1 1 -19 -5  5  o 99.66490 3.668998  2074.881       145.4327 2179.183       
252.2356 2022.940       177.9986 101.4095 5.924464 97.92036 4.329769 3.489098 
7.337995 
1 1 1 -19 -5  6  o 82.29906 3.555427  1460.152       118.9346 1304.190       
187.8382 1564.522       153.6607 78.47738 5.701124 86.12074 4.249874 -7.643356 
7.110854 
1 1 1 -19 -5  7  f 37.04175 6.007155  287.3060       89.26957 389.5495       
149.2092 230.3055       111.4082 41.87591 8.769360 32.20758 8.212306 9.668324 
12.01431 
1 1 1 -19 -5  8  o 62.15786 5.241420  808.2171       123.4330 861.2211       
234.4374 787.8886       145.1861 63.33709 8.816371 60.97863 5.671116 2.358463 
10.48284 
1 1 1 -19 -5  9  o 78.02744 7.806808  1303.047       255.7406 1303.047       
255.7406 0.000000       0.000000 78.02744 7.806808 ?        ?        ? ? 
1 1 1 -19 -5  10 o 113.7286 4.294513  2734.809       181.7336 2790.286       
351.7307 2714.605       212.2620 114.1571 7.338858 113.3001 4.462344 0.8570023 
8.589025 
1 1 1 -19 -5  11 o 44.09469 6.273316  460.8020       107.3887 336.3422       
181.6451 527.6770       133.1499 38.48582 10.80294 49.70356 6.380791 -11.21774 
12.54663 
1 1 1 -19 -5  12 f 119.8880 4.450612  2930.740       190.8576 3363.374       
402.5847 2805.315       216.7650 124.7513 7.686580 115.0247 4.488685 9.726616 
8.901224 
1 1 1 -19 -5  13 o 71.57999 4.040448  1088.678       118.1248 1124.628       
191.8221 1066.718       149.9237 72.38285 6.312248 70.77711 5.045434 1.605736 
8.080895 
1 1 1 -19 -5  14 o 77.79987 4.198972  1351.531       126.7993 1150.800       
216.9253 1455.712       156.2776 72.86526 7.091053 82.73447 4.499158 -9.869209 
8.397943 
1 1 1 -19 -5  15 o 20.94422 6.431972  -6.071148      96.83656 27.23516       
176.9722 -20.30532      115.6932 23.84071 10.12808 18.04773 7.931146 5.792980 
12.86394 
1 1 1 -19 -5  16 o 114.2083 4.559008  2811.890       187.0438 2894.122       
380.9086 2785.762       214.7132 114.2383 7.942003 114.1784 4.479152 
0.5992889E-01  9.118016 
1 1 1 -19 -5  17 o 75.35574 4.218061  1276.169       128.7684 1020.025       
195.5277 1472.347       171.1162 68.02736 6.846140 82.68413 4.929353 -14.65677 
8.436122 
1 1 1 -19 -5  18 o 29.07839 7.098386  187.1770       101.8966 218.9003       
171.9483 170.0069       126.5015 30.75430 10.76559 27.40249 9.254750 3.351812 
14.19677 
1 1 1 -19 -5  19 o 47.98849 5.822444  599.2246       106.6204 256.6059       
157.3855 889.8360       144.9491 32.23923 10.30835 63.73776 5.416763 -31.49853 
11.64489 
1 1 1 -19 -5  20 o 44.96477 4.616584  455.6260       87.10143 458.4721       
121.4554 452.6124       124.9803 45.16711 6.404945 44.76242 6.650418 0.4046898 
9.233168 
1 1 1 -19 -5  21 o 20.88235 5.827963  22.19931       86.09993 173.5996       
127.4744 -104.8146      116.7576 26.81036 9.280385 14.95433 7.052310 11.85603 
11.65593 
1 1 1 -19 -5  22 o 40.23075 5.422452  395.7027       88.75199 475.3634       
123.8168 311.5185       127.2836 45.45572 6.488017 35.00579 8.690085 10.44993 
10.84490 
1 1 1 -19 -5  23 o 28.91584 6.477820  213.9079       90.00888 289.8554       
134.6104 152.4910       121.0502 32.92572 9.318324 24.90597 9.000970 8.019751 
12.95564 
1 1 1 -19 -5  24 o 22.93030 6.198075  120.7606       86.20160 172.5312       
119.4265 64.45300       124.5497 25.54544 8.969167 20.31516 8.556786 5.230288 
12.39615 
1 1 1 -19 -5  25 o 18.13050 5.671432  20.58881       86.97356 -28.97289      
126.4359 65.10560       119.8283 16.71078 7.709036 19.55023 8.320537 -2.839449 
11.34286 
1 1 1 -19 -4  1  o 133.0465 4.510417  3752.912       251.6833 3837.181       
365.7971 3677.156       346.8279 134.4400 6.480863 131.6531 6.274859 2.786911 
9.020834 
1 1 1 -19 -4  2  o 108.6364 4.334972  2522.479       178.2686 2456.974       
331.8683 2549.046       211.3499 107.3927 7.360579 109.8800 4.581465 -2.487259 
8.669945 
1 1 1 -19 -4  3  o 135.1629 3.995594  3925.337       215.0243 3683.510       
361.4337 4057.816       267.5149 131.6942 6.537070 138.6316 4.596282 -6.937469 
7.991189 
1 1 1 -19 -4  4  o 75.27350 4.033900  1261.386       117.5520 1026.749       
199.6471 1385.897       145.4349 69.49518 6.842731 81.05183 4.273925 -11.55665 
8.067801 
1 1 1 -19 -4  5  o 66.92985 4.057771  987.3650       109.3617 750.0762       
165.8527 1169.905       145.4663 59.42320 6.647946 74.43649 4.654764 -15.01329 
8.115541 
1 1 1 -19 -4  6  o 88.25328 3.549406  1705.070       126.6579 1350.736       
193.6673 1969.889       167.4268 79.85694 5.776500 96.64963 4.126157 -16.79269 
7.098812 
1 1 1 -19 -4  7  f 51.69349 4.508186  516.4674       93.34704 777.8386       
163.3889 389.8146       113.7368 60.52913 6.429529 42.85786 6.321084 17.67127 
9.016372 
1 1 1 -19 -4  8  o 34.02802 6.174623  275.1695       88.06051 154.7483       
168.0432 320.7578       103.3942 29.19036 10.59964 38.86567 6.336524 -9.675310 
12.34925 
1 1 1 -19 -4  9  o 24.58380 6.721002  85.21059       101.2237 -51.98876      
185.5124 143.3761       120.7896 22.47827 9.945069 26.68932 9.043399 -4.211050 
13.44200 
1 1 1 -19 -4  10 o 31.56389 9.252764  219.7114       130.4664 0.000000       
0.000000 219.7114       130.4664 ?        ?        31.56389 9.252764 ? ? 
1 1 1 -19 -4  11 o 77.23162 4.435120  1325.597       134.0399 1110.850       
224.9102 1443.885       166.9227 71.92323 7.448366 82.54002 4.816948 -10.61679 
8.870239 
1 1 1 -19 -4  12 o 52.72509 5.528035  570.1722       110.9738 674.9542       
213.5788 531.4219       129.8829 55.59512 9.150451 49.85506 6.205314 5.740059 
11.05607 
1 1 1 -19 -4  13 o 44.26902 5.916744  485.3547       100.9175 273.7408       
162.7164 617.6348       128.6491 34.77356 10.37053 53.76448 5.699440 -18.99092 
11.83349 
1 1 1 -19 -4  14 o 13.75828 4.724314  -233.5595      90.32281 -415.4863      
147.7322 -124.9593      114.1412 12.74556 6.381607 14.77100 6.967902 -2.025435 
9.448627 
1 1 1 -19 -4  15 o 57.83064 4.859754  675.4352       110.9879 879.7776       
202.5687 587.7775       132.6746 63.43004 7.606736 52.23125 6.050323 11.19879 
9.719508 
1 1 1 -19 -4  16 o 30.45391 6.687753  220.4013       100.7248 80.35284       
176.7098 287.8016       122.5894 25.58186 10.42407 35.32596 8.381103 -9.744106 
13.37551 
1 1 1 -19 -4  17 o 155.6594 5.638824  5506.386       328.1559 5180.054       
611.5403 5638.349       388.8872 150.0995 9.704362 161.2194 5.745494 -11.11993 
11.27765 
1 1 1 -19 -4  18 o 81.08338 4.375870  1417.574       135.2883 1507.248       
253.1322 1381.716       160.0675 82.11929 7.342152 80.04748 4.762956 2.071808 
8.751740 
1 1 1 -19 -4  19 o 80.90739 4.048513  1475.123       131.0589 1293.110       
212.3333 1587.141       166.5760 76.15005 6.641542 85.66475 4.631605 -9.514702 
8.097027 
1 1 1 -19 -4  20 o 29.01147 6.442072  205.9867       88.13573 229.4124       
116.1676 174.2130       135.2924 30.68823 8.647281 27.33471 9.551216 3.353519 
12.88414 
1 1 1 -19 -4  21 o 48.56912 4.583345  533.6730       93.35681 561.0837       
135.9010 509.1798       128.4655 49.73251 6.508837 47.40574 6.454708 2.326778 
9.166691 
1 1 1 -19 -4  22 o 21.18779 6.031422  73.18930       83.49471 106.0924       
117.8077 39.98093       118.3529 22.70781 8.738799 19.66777 8.315383 3.040043 
12.06284 
1 1 1 -19 -4  23 o 35.55804 6.275690  330.6536       94.89032 258.0602       
134.9098 401.7290       133.4918 31.11150 9.476368 40.00459 8.230162 -8.893093 
12.55138 
1 1 1 -19 -4  24 o 26.77564 6.440630  190.3791       86.60419 190.3390       
126.3105 190.4147       118.9723 26.74458 9.239818 26.80671 8.975111 
-0.6213379E-01 12.88126 
1 1 1 -19 -4  25 o 19.84878 6.039652  58.95966       90.02280 67.62895       
139.3700 52.75318       117.9236 20.54224 8.863703 19.15532 8.206362 1.386913 
12.07930 
1 1 1 -19 -4  26 o 20.50073 6.223074  82.71481       96.31428 65.91805       
143.0107 96.65714       130.2937 20.11676 8.829285 20.88470 8.772136 
-0.7679367     12.44615 
1 1 1 -19 -3  1  o 99.95708 4.306312  2120.867       179.3202 2098.946       
270.1303 2138.138       239.7697 99.43044 6.471054 100.4837 5.683549 -1.053299 
8.612623 
1 1 1 -19 -3  2  o 132.5641 4.588903  3692.271       227.5138 3818.838       
438.4055 3645.621       266.1602 133.7639 7.806531 131.3644 4.825992 2.399551 
9.177807 
1 1 1 -19 -3  3  o 29.66101 6.576368  189.1580       90.21989 164.1073       
147.4153 204.1601       114.0798 28.87105 9.981219 30.45097 8.565612 -1.579926 
13.15274 
1 1 1 -19 -3  4  o 42.52718 5.237129  379.0428       86.47824 431.3969       
151.9607 353.9666       105.1688 44.19947 8.492070 40.85489 6.131463 3.344578 
10.47426 
1 1 1 -19 -3  5  o 51.06182 4.784791  541.4874       99.66117 606.3564       
165.0479 504.2627       125.0279 53.35606 7.367961 48.76759 6.106559 4.588467 
9.569583 
1 1 1 -19 -3  6  o 169.4954 5.469862  6041.807       342.6112 6312.068       
673.8655 5947.590       397.8739 171.3883 9.365114 167.6024 5.654395 3.785858 
10.93972 
1 1 1 -19 -3  7  o 61.49116 4.160919  838.1916       100.4546 684.6772       
166.2256 926.5123       126.0825 56.73313 6.978824 66.24919 4.533100 -9.516060 
8.321837 
1 1 1 -19 -3  8  o 140.4231 3.804082  4155.828       206.4266 4219.088       
375.0403 4128.334       247.2490 140.9631 6.337143 139.8831 4.210081 1.080048 
7.608164 
1 1 1 -19 -3  9  o 120.9322 4.156189  2917.637       159.0022 3392.958       
397.2837 2826.979       173.5040 126.0438 7.507585 115.8206 3.568165 10.22327 
8.312379 
1 1 1 -19 -3  10 o 100.3696 3.906109  2037.066       127.3045 2299.302       
305.5844 1981.997       140.0346 103.7705 7.014199 96.96870 3.439734 6.801842 
7.812219 
1 1 1 -19 -3  11 o 18.02322 5.964554  -124.5348      106.0244 -267.7123      
200.0818 -68.63364      125.0203 18.65488 8.941898 17.39155 7.895952 1.263327 
11.92911 
1 1 1 -19 -3  12 o 120.7359 8.103948  3153.987       410.7824 3153.987       
410.7824 0.000000       0.000000 120.7359 8.103948 ?        ?        ? ? 
1 1 1 -19 -3  13 o 92.67327 3.721489  1840.063       140.3716 1785.463       
226.4225 1874.149       178.8998 91.37537 5.902167 93.97117 4.534572 -2.595795 
7.442978 
1 1 1 -19 -3  14 o 81.59724 3.877244  1432.087       130.7305 1368.369       
200.9868 1478.813       172.1147 79.87159 5.993717 83.32288 4.920108 -3.451294 
7.754489 
1 1 1 -19 -3  15 o 32.91582 7.066203  228.9085       102.1155 318.5433       
176.4797 183.7934       125.2038 36.99154 10.73506 28.84009 9.191485 8.151453 
14.13241 
1 1 1 -19 -3  16 o 52.44581 5.225413  567.5425       108.3465 711.9247       
196.2374 504.2295       129.9486 56.68508 8.245823 48.20654 6.420763 8.478539 
10.45083 
1 1 1 -19 -3  17 o 77.27371 4.202250  1344.645       129.0412 1118.617       
208.6697 1484.606       164.2030 71.33772 6.967248 83.20972 4.700327 -11.87200 
8.404500 
1 1 1 -19 -3  18 o 53.23825 4.949955  633.5278       105.8391 609.8394       
174.9837 647.1937       132.9072 52.00379 8.014632 54.47271 5.811530 -2.468914 
9.899910 
1 1 1 -19 -3  19 o 36.25769 5.648317  306.8077       86.44010 211.0670       
120.4984 408.3070       124.0693 29.77619 8.933308 42.73919 6.914475 -12.96300 
11.29663 
1 1 1 -19 -3  20 o 27.69163 5.560529  158.0324       82.80601 330.3737       
118.1998 -8.070729      116.0408 37.34922 7.792927 18.03404 7.933991 19.31518 
11.12106 
1 1 1 -19 -3  21 o 45.41701 4.632078  466.2447       88.04745 517.0002       
127.0671 419.3673       122.1163 47.90659 6.317696 42.92743 6.775787 4.979168 
9.264155 
1 1 1 -19 -3  22 o 54.35635 4.317613  662.9447       98.08920 744.8161       
146.9232 597.1087       131.7517 57.36025 6.100993 51.35244 6.111055 6.007805 
8.635225 
1 1 1 -19 -3  23 o 17.05442 5.444748  -29.47631      83.28205 3.850875       
119.9818 -60.46321      115.6925 18.23317 8.041247 15.87566 7.342988 2.357509 
10.88950 
1 1 1 -19 -3  24 o 17.82712 5.572833  -70.95564      87.78321 112.8260       
137.0277 -198.8790      114.3226 23.08692 9.268539 12.56733 6.190317 10.51960 
11.14567 
1 1 1 -19 -3  25 o 20.99183 6.266112  74.41464       95.19814 113.9426       
138.8263 39.32872       130.7935 22.57207 9.225416 19.41159 8.482237 3.160475 
12.53222 
1 1 1 -19 -3  26 o 35.43705 6.486259  368.8391       96.80968 364.5826       
149.0043 371.9484       127.3507 34.36967 9.828584 36.50443 8.466711 -2.134762 
12.97252 
1 1 1 -19 -2  1  o 87.20578 4.814146  1584.565       173.8820 1812.253       
274.7028 1432.351       224.6056 92.28275 7.090285 82.12881 6.513974 10.15393 
9.628292 
1 1 1 -19 -2  2  o 91.40694 4.118444  1845.947       140.7991 1598.250       
258.6975 1950.202       167.8347 86.65590 7.110745 96.15797 4.157359 -9.502075 
8.236889 
1 1 1 -19 -2  3  o 144.9933 4.616386  4577.257       250.9137 4208.910       
467.1306 4726.627       297.4693 140.3920 7.925323 149.5946 4.736387 -9.202637 
9.232773 
1 1 1 -19 -2  4  o 73.48715 3.779121  1157.116       110.5938 1094.582       
186.2729 1191.160       137.4395 71.83910 6.176038 75.13521 4.357015 -3.296104 
7.558242 
1 1 1 -19 -2  5  o 180.4771 4.850785  7000.493       333.1838 6739.279       
612.6060 7110.217       397.0428 177.5684 8.217444 183.3859 5.156943 -5.817581 
9.701570 
1 1 1 -19 -2  6  o 69.18666 3.765265  994.8535       105.2228 1076.432       
177.5393 950.6825       130.6396 71.27125 5.933368 67.10208 4.637245 4.169167 
7.530530 
1 1 1 -19 -2  7  o 137.2561 3.772106  4038.061       209.6995 3775.341       
338.9529 4200.972       266.9115 133.4393 6.050298 141.0730 4.506553 -7.633713 
7.544211 
1 1 1 -19 -2  8  o 52.75175 4.461582  512.0871       91.97736 884.1758       
169.3098 356.3010       109.5527 64.54134 6.248346 40.96216 6.370323 23.57919 
8.923163 
1 1 1 -19 -2  9  o 63.14510 4.224315  871.6177       96.58498 795.0093       
189.2960 898.5814       112.3033 61.03162 7.387671 65.25857 4.098984 -4.226944 
8.448630 
1 1 1 -19 -2  10 o 21.44931 6.114754  39.10315       76.14265 88.08916       
148.5636 21.65100       88.67491 25.08551 9.780256 17.81311 7.342169 7.272404 
12.22951 
1 1 1 -19 -2  11 o 79.90962 3.971169  1334.680       105.3380 1394.541       
241.1289 1320.562       117.1030 80.69922 7.117066 79.12003 3.525352 1.579185 
7.942338 
1 1 1 -19 -2  12 o 67.18609 5.577177  1032.861       130.1405 866.6812       
263.2261 1086.623       149.7191 62.83237 9.978530 71.53981 4.984831 -8.707443 
11.15435 
1 1 1 -19 -2  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 -2  14 o 89.10744 4.051608  1693.930       142.2608 1714.800       
248.8188 1683.794       173.3975 89.22088 6.642595 88.99400 4.640910 0.2268829 
8.103216 
1 1 1 -19 -2  15 o 65.29678 4.974556  913.5044       118.1829 948.6684       
236.9302 901.8572       136.3578 65.59668 8.603192 64.99688 4.996989 0.5998001 
9.949112 
1 1 1 -19 -2  16 o 92.54166 4.501850  1860.130       156.1143 1843.590       
295.7122 1866.521       183.8173 91.59563 7.689810 93.48769 4.683312 -1.892059 
9.003699 
1 1 1 -19 -2  17 o 72.28722 4.748225  1167.811       128.1621 1085.472       
239.4454 1200.872       151.7256 69.75404 8.176324 74.82039 4.830143 -5.066345 
9.496449 
1 1 1 -19 -2  18 o 32.88688 5.950133  253.3018       82.44106 240.6799       
113.3138 267.4966       120.1663 32.04273 8.342549 33.73103 8.486355 -1.688301 
11.90027 
1 1 1 -19 -2  19 o 17.55960 5.534636  -27.38878      82.60270 -45.03371      
121.3958 -12.17537      112.7216 17.32372 7.829901 17.79547 7.824412 
-0.4717560     11.06927 
1 1 1 -19 -2  20 o 34.53249 6.180876  291.2281       90.57816 239.1154       
129.9229 340.5108       126.3457 31.29543 9.252466 37.76954 8.197852 -6.474102 
12.36175 
1 1 1 -19 -2  21 o 73.59009 3.666541  1192.985       112.9810 1157.405       
164.1857 1224.986       155.7095 72.40366 5.401268 74.77650 4.959878 -2.372841 
7.333082 
1 1 1 -19 -2  22 o 63.42340 3.766207  893.5480       100.2087 853.8305       
141.4712 933.5424       141.9632 61.93296 5.440857 64.91384 5.209062 -2.980881 
7.532414 
1 1 1 -19 -2  23 o 29.23408 6.613807  222.0246       91.30795 212.3667       
142.8590 228.6947       118.7229 28.60817 9.831989 29.85999 8.848827 -1.251822 
13.22761 
1 1 1 -19 -2  24 o 31.09116 6.856403  265.7091       101.2632 213.4795       
148.7673 310.8008       138.2284 28.19224 9.999159 33.99009 9.383916 -5.797846 
13.71281 
1 1 1 -19 -2  25 f 25.95862 6.856140  174.0716       99.36269 236.6338       
157.3159 132.5483       128.1629 28.54314 10.26645 23.37411 9.089925 5.169029 
13.71228 
1 1 1 -19 -2  26 o 64.15370 4.396604  998.9418       117.6191 998.9745       
176.0349 998.9152       158.0861 63.61813 6.590811 64.68927 5.820799 -1.071136 
8.793207 
1 1 1 -19 -1  1  o 50.07579 5.433902  562.2427       98.02647 501.0204       
182.9819 586.8854       116.0904 47.47552 9.515970 52.67606 5.249332 -5.200535 
10.86780 
1 1 1 -19 -1  2  o 25.33728 6.550947  82.21055       91.72514 199.3950       
152.9100 16.34118       114.6418 30.94872 10.17501 19.72584 8.254016 11.22289 
13.10189 
1 1 1 -19 -1  3  o 56.49027 4.552983  686.9291       103.3733 643.1584       
170.1073 712.5579       130.1651 54.94474 7.374251 58.03579 5.342193 -3.091049 
9.105966 
1 1 1 -19 -1  4  o 82.30299 4.004714  1438.821       134.3331 1414.983       
216.8358 1453.668       171.1284 81.66047 6.324704 82.94553 4.914170 -1.285057 
8.009429 
1 1 1 -19 -1  5  o 133.0704 4.576826  3791.121       239.4903 3665.531       
415.9700 3853.392       292.9067 131.1387 7.555310 135.0022 5.167847 -3.863480 
9.153652 
1 1 1 -19 -1  6  o 108.1979 3.926611  2554.790       165.8651 2258.201       
284.7543 2707.093       204.0560 103.1171 6.577500 113.2788 4.290638 -10.16171 
7.853221 
1 1 1 -19 -1  7  o 75.81624 3.849158  1195.576       115.5778 1279.185       
203.0042 1155.477       140.5878 77.64899 6.227162 73.98348 4.526203 3.665512 
7.698316 
1 1 1 -19 -1  8  o 34.20988 6.327409  235.2394       89.45187 360.8253       
154.9115 172.4176       109.5641 40.18295 9.349895 28.23681 8.527828 11.94614 
12.65482 
1 1 1 -19 -1  9  o 125.2181 4.536883  3197.628       185.2061 3553.406       
440.4804 3121.222       204.1268 128.7974 8.145928 121.6389 3.997133 7.158493 
9.073766 
1 1 1 -19 -1  10 o 164.0043 5.094029  5565.904       236.9954 5999.964       
662.3703 5502.176       253.7970 166.5005 9.475595 161.5081 3.742945 4.992401 
10.18806 
1 1 1 -19 -1  11 o 61.26741 4.058229  774.4859       90.36791 846.3679       
184.3271 751.7424       103.6832 62.89413 6.980720 59.64068 4.140826 3.253456 
8.116458 
1 1 1 -19 -1  12 o 69.02576 3.516085  858.0958       87.77837 1336.721       
192.4983 732.4484       98.62938 79.19544 5.789589 58.85609 3.991499 20.33936 
7.032169 
1 1 1 -19 -1  13 o 99.61479 4.030115  1826.448       111.1772 2537.772       
338.8521 1740.638       117.6923 108.3946 7.446008 90.83496 3.086142 17.55965 
8.060230 
1 1 1 -19 -1  14 o 31.30118 9.128119  220.6081       127.2964 0.000000       
0.000000 220.6081       127.2964 ?        ?        31.30118 9.128119 ? ? 
1 1 1 -19 -1  15 o 18.69248 6.011082  -71.79994      101.3109 -95.55117      
164.0296 -57.15126      128.8186 19.48447 8.902495 17.90050 8.079480 1.583973 
12.02216 
1 1 1 -19 -1  16 o 113.7612 4.612123  2746.181       190.1814 2927.982       
385.9401 2687.878       218.5598 115.2974 7.972995 112.2251 4.638756 3.072342 
9.224245 
1 1 1 -19 -1  17 o 41.86832 6.464746  427.2186       103.3029 339.9897       
191.9867 462.7648       122.5568 37.62505 11.27363 46.11158 6.330652 -8.486523 
12.92949 
1 1 1 -19 -1  18 o 53.93350 4.288274  631.3889       96.78187 705.1109       
142.6928 568.5817       131.7068 56.86204 5.977241 51.00497 6.150590 5.857067 
8.576548 
1 1 1 -19 -1  19 o 22.44349 6.103321  77.48681       85.43552 4.346346       
123.8176 143.9581       118.0377 19.23099 8.326906 25.65599 8.925511 -6.424997 
12.20664 
1 1 1 -19 -1  20 o 61.07161 3.863628  818.9510       98.80359 885.9452       
139.8979 752.2787       139.5614 63.67495 5.233157 58.46827 5.685468 5.206673 
7.727256 
1 1 1 -19 -1  21 o 49.91014 4.886127  573.6800       97.35658 723.5482       
140.1975 434.1013       135.2991 57.04360 5.854022 42.77668 7.824794 14.26692 
9.772255 
1 1 1 -19 -1  22 o 57.59221 4.641038  774.1774       108.7613 631.3284       
163.3446 887.9474       145.7741 52.01918 7.479324 63.16523 5.496969 -11.14605 
9.282077 
1 1 1 -19 -1  23 f 21.38454 6.275850  65.62585       90.87566 87.34546       
144.0829 51.27806       117.1060 22.75202 9.365257 20.01706 8.356862 2.734961 
12.55170 
1 1 1 -19 -1  24 o 22.10079 6.322334  56.66798       96.46071 189.4348       
147.6786 -42.12613      127.3909 27.07772 9.926393 17.12386 7.832904 9.953861 
12.64467 
1 1 1 -19 -1  25 o 81.83436 3.955602  1456.143       130.8376 1874.490       
225.3607 1243.441       160.6925 89.68799 5.985011 73.98073 5.173663 15.70726 
7.911204 
1 1 1 -19 -1  26 o 28.95333 5.843570  233.7082       96.44204 2.183579       
145.9663 413.0842       128.4802 18.58564 8.462990 39.32101 8.060215 -20.73537 
11.68714 
1 1 1 -19 0   1  o 79.81819 3.937289  1353.330       127.3315 1331.095       
208.5724 1366.540       160.7673 79.20298 6.272440 80.43340 4.760828 -1.230415 
7.874578 
1 1 1 -19 0   2  o 87.80142 3.407774  1637.006       120.4178 1598.405       
200.0022 1658.956       150.8174 86.90375 5.481726 88.69910 4.049984 -1.795357 
6.815547 
1 1 1 -19 0   3  o 105.6634 3.956688  2404.087       171.0343 2158.607       
265.8687 2577.400       223.3959 100.8674 6.278233 110.4594 4.817188 -9.591988 
7.913375 
1 1 1 -19 0   4  o 99.71960 4.078471  2202.829       161.3820 1755.824       
258.8853 2486.934       206.3907 90.89432 6.784093 108.5449 4.528995 -17.65058 
8.156942 
1 1 1 -19 0   5  o 67.63805 4.003341  982.9745       109.1957 914.3475       
178.0390 1024.356       138.2520 65.62997 6.461510 69.64613 4.728197 -4.016159 
8.006682 
1 1 1 -19 0   6  o 154.5470 4.261638  5102.484       268.0327 4897.400       
431.3600 5231.466       342.0878 151.8006 6.768423 157.2934 5.180220 -5.492828 
8.523275 
1 1 1 -19 0   7  o 128.1982 3.273913  3531.897       170.4441 3207.273       
271.3055 3743.559       219.0735 123.1375 5.247944 133.2588 3.915750 -10.12130 
6.547825 
1 1 1 -19 0   8  o 139.0580 3.892176  4038.594       197.8881 4210.187       
395.8857 3981.439       228.4805 140.7083 6.701487 137.4077 3.960582 3.300568 
7.784352 
1 1 1 -19 0   9  o 63.80431 4.140914  861.7623       100.5801 868.2679       
187.0987 859.1182       119.2818 63.83141 6.981639 63.77721 4.454818 
0.5420303E-01  8.281829 
1 1 1 -19 0   10 o 135.6549 4.499836  3697.211       168.7239 4221.117       
493.3900 3627.831       179.5486 140.0916 8.388791 131.2182 3.259184 8.873337 
8.999672 
1 1 1 -19 0   11 o 98.82059 3.871270  2121.757       124.5122 1998.670       
284.8254 2150.836       138.4412 96.63242 7.020645 101.0088 3.264580 -4.376343 
7.742541 
1 1 1 -19 0   12 o 109.4191 3.358283  2501.237       121.6118 2601.665       
279.3094 2477.745       135.0887 110.4132 6.025397 108.4251 2.967633 1.988060 
6.716566 
1 1 1 -19 0   13 o 48.61544 4.261351  449.8360       76.87394 630.6463       
159.2395 394.8927       87.78024 54.12206 7.008057 43.10882 4.850111 11.01324 
8.522701 
1 1 1 -19 0   14 o 69.62150 3.486645  1134.404       88.43682 808.2704       
158.8861 1280.797       106.4507 61.37259 6.166410 77.87041 3.256096 -16.49781 
6.973290 
1 1 1 -19 0   15 o 59.54527 4.798676  793.8446       115.1516 639.7540       
178.1746 904.3712       150.9005 54.11070 7.843025 64.97983 5.531377 -10.86913 
9.597352 
1 1 1 -19 0   16 o 156.0518 12.81265  5755.541       839.4346 5755.541       
839.4346 0.000000       0.000000 156.0518 12.81265 ?        ?        ? ? 
1 1 1 -19 0   17 o 27.91367 5.892310  157.3833       84.54324 294.7388       
122.0488 30.67798       117.2217 35.72282 8.290658 20.10453 8.375096 15.61829 
11.78462 
1 1 1 -19 0   18 o 72.35217 3.467761  1115.346       104.7733 1006.008       
139.8347 1255.296       158.2034 68.36372 4.872034 76.34064 4.936067 -7.976921 
6.935522 
1 1 1 -19 0   19 o 36.23698 5.884820  308.5992       87.98546 257.0558       
121.5252 365.3834       127.5540 32.86939 8.677608 39.60457 7.951323 -6.735180 
11.76964 
1 1 1 -19 0   20 f 83.79982 3.305670  1507.654       115.7267 1330.124       
155.9346 1725.325       172.6657 78.31984 4.742332 89.27981 4.606529 -10.95997 
6.611340 
1 1 1 -19 0   21 o 22.68085 6.346996  71.22395       95.13062 -14.95554      
134.4303 157.6725       134.6400 18.98067 8.423010 26.38102 9.496861 -7.400352 
12.69399 
1 1 1 -19 0   22 o 26.11024 6.714766  147.5005       104.9112 15.36146       
162.2857 242.3695       137.5076 21.35890 9.389778 30.86159 9.601269 -9.502691 
13.42953 
1 1 1 -19 0   23 o 26.81969 6.303653  101.9524       95.09183 363.0989       
159.8007 -41.21685      118.3209 36.91076 10.04544 16.72861 7.617965 20.18215 
12.60731 
1 1 1 -19 0   24 o 15.02847 5.156014  -159.8123      95.52844 -231.0387      
170.1648 -127.0348      115.4349 15.93107 7.773228 14.12587 6.776052 1.805207 
10.31203 
1 1 1 -19 0   25 o 22.40175 6.492354  100.2797       98.12187 67.20972       
148.7354 125.7628       130.5641 21.48084 9.209933 23.32266 9.153130 -1.841820 
12.98471 
1 1 1 -19 0   26 o 18.51733 5.851349  2.754265       93.70481 83.71058       
142.0305 -59.64388      124.6930 21.15443 9.032620 15.88024 7.440762 5.274192 
11.70270 
1 1 1 -19 0   27 o 28.88805 6.538535  225.7754       100.4121 430.2415       
155.7716 80.41339       131.3418 37.50802 9.788830 20.26808 8.671133 17.23994 
13.07707 
1 1 1 -19 1   1  o 85.87256 4.274707  1620.746       146.9796 1339.537       
234.1480 1803.603       188.8133 79.35023 7.028512 92.39489 4.867496 -13.04466 
8.549415 
1 1 1 -19 1   2  o 99.26312 3.595045  2100.563       144.6660 2012.386       
234.9963 2154.372       183.5744 97.47623 5.742266 101.0500 4.327097 -3.573799 
7.190090 
1 1 1 -19 1   3  o 215.0236 5.488387  10015.25       473.0560 9322.156       
781.2281 10416.52       594.4233 208.5048 8.924478 221.5423 6.390874 -13.03748 
10.97677 
1 1 1 -19 1   4  o 247.1283 7.938370  13300.49       749.0537 13135.52       
1374.576 13370.17       893.3486 244.3106 13.40132 249.9461 8.513256 -5.635498 
15.87674 
1 1 1 -19 1   5  o 51.86367 4.868042  588.3875       100.7437 513.4818       
164.7519 633.1236       127.3216 49.03552 8.002776 54.69182 5.544989 -5.656296 
9.736084 
1 1 1 -19 1   6  o 149.6091 3.954901  4785.907       240.9595 4535.080       
385.7284 4946.430       308.5763 146.1956 6.284463 153.0225 4.803174 -6.826843 
7.909801 
1 1 1 -19 1   7  o 54.99730 4.566038  655.6942       96.63838 608.0519       
172.5944 677.4514       116.6357 53.37717 7.701797 56.61743 4.906844 -3.240253 
9.132075 
1 1 1 -19 1   8  o 69.51724 3.932287  1056.678       106.8434 928.2204       
182.6628 1123.485       131.7282 66.07568 6.584601 72.95881 4.300530 -6.883125 
7.864574 
1 1 1 -19 1   9  o 86.37243 3.228702  1616.519       105.7214 1481.119       
193.2224 1674.374       126.3046 83.59597 5.505456 89.14889 3.374614 -5.552917 
6.457404 
1 1 1 -19 1   10 o 87.14500 3.459651  1514.883       107.6068 1787.982       
229.4993 1437.924       121.8287 91.70821 5.960657 82.58179 3.513874 9.126427 
6.919302 
1 1 1 -19 1   11 o 35.56068 6.184401  260.4646       81.74026 335.5401       
166.7395 236.7146       93.78244 38.48269 10.16678 32.63867 7.044423 5.844017 
12.36880 
1 1 1 -19 1   12 o 86.90651 3.395843  1561.933       103.5199 1677.178       
221.4596 1529.712       117.1009 88.65971 5.949621 85.15332 3.275515 3.506386 
6.791685 
1 1 1 -19 1   13 o 56.96227 4.361599  779.5871       82.45200 552.8448       
168.9062 850.5214       94.47289 50.48148 7.969564 63.44306 3.546861 -12.96157 
8.723198 
1 1 1 -19 1   14 o 79.65446 2.792239  1344.266       86.50859 1343.632       
154.7279 1344.554       104.3405 79.50399 4.635544 79.80494 3.114182 
-0.3009491     5.584478 
1 1 1 -19 1   15 f 28.33510 5.705209  167.9812       66.34195 218.0292       
122.8435 147.3742       78.82543 31.00711 8.942834 25.66308 7.086843 5.344030 
11.41042 
1 1 1 -19 1   16 o 33.55176 7.084208  267.2570       105.4792 197.1260       
193.1929 297.0409       125.9004 31.13587 11.35937 35.96765 8.468105 -4.831778 
14.16842 
1 1 1 -19 1   17 o 54.09723 5.679642  632.1916       128.9956 0.000000       
0.000000 632.1916       128.9956 ?        ?        54.09723 5.679642 ? ? 
1 1 1 -19 1   18 o 36.97288 5.735776  317.1348       86.60142 306.0788       
120.6297 328.8935       124.4032 36.29528 8.120953 37.65047 8.102262 -1.355186 
11.47155 
1 1 1 -19 1   19 o 25.41599 6.368838  135.6988       85.95872 169.8675       
123.0043 103.0850       120.1732 27.34598 9.125927 23.48600 8.886274 3.859985 
12.73768 
1 1 1 -19 1   20 o 93.35652 3.630215  1910.934       141.2332 1768.370       
207.3128 2034.401       192.9297 89.83593 5.496637 96.87711 4.743503 -7.041176 
7.260430 
1 1 1 -19 1   21 o 27.74572 6.897137  170.7762       101.4989 249.6913       
151.8952 107.1131       136.4294 31.57186 10.13018 23.91959 9.362767 7.652271 
13.79427 
1 1 1 -19 1   22 o 30.39579 6.318715  225.4222       103.0794 26.38259       
155.0680 383.0042       137.9767 21.35796 9.284243 39.43362 8.573650 -18.07566 
12.63743 
1 1 1 -19 1   23 f 50.87951 5.120224  623.6707       102.8982 528.2518       
157.3869 694.9056       135.9873 46.26070 8.414514 55.49831 5.836327 -9.237617 
10.24045 
1 1 1 -19 1   24 o 26.06372 6.797940  160.6836       96.45200 214.0707       
155.4281 127.2495       123.0002 28.45150 10.20752 23.67595 8.980781 4.775549 
13.59588 
1 1 1 -19 1   25 o 42.50452 5.947295  468.1519       101.6914 428.3964       
159.5480 495.3521       131.9713 39.47993 9.685748 45.52910 6.904171 -6.049168 
11.89459 
1 1 1 -19 1   26 o 45.24860 6.170929  567.6093       113.0374 371.3543       
161.3429 756.8067       158.4153 34.90717 10.30771 55.59003 6.787678 -20.68286 
12.34186 
1 1 1 -19 1   27 o 15.71939 5.333425  -99.26004      98.35812 -81.08497      
155.2701 -111.4414      127.1152 16.80581 8.012514 14.63298 7.041398 2.172832 
10.66685 
1 1 1 -19 2   1  o 104.9178 3.469302  2315.545       146.6296 2361.876       
245.7184 2289.922       182.7306 105.6361 5.540463 104.1995 4.177019 1.436607 
6.938604 
1 1 1 -19 2   2  o 116.5828 4.124587  2975.942       190.1463 2566.832       
315.8860 3208.410       238.1184 109.8875 6.847043 123.2780 4.600748 -13.39046 
8.249174 
1 1 1 -19 2   3  o 71.60798 3.550591  1097.298       103.8247 1020.917       
164.1329 1148.249       134.0526 69.44241 5.629785 73.77354 4.328085 -4.331131 
7.101182 
1 1 1 -19 2   4  o 40.83948 6.155210  360.1765       100.1534 420.2050       
163.3946 324.0496       126.7575 43.44274 9.235898 38.23621 8.139079 5.206528 
12.31042 
1 1 1 -19 2   5  o 133.9295 3.935628  3822.788       215.8729 3675.340       
341.8310 3920.603       278.4164 131.6350 6.185303 136.2240 4.868131 -4.588974 
7.871256 
1 1 1 -19 2   6  o 186.7933 5.399026  7526.456       388.7085 7226.058       
698.4970 7661.218       467.8429 183.4515 9.069105 190.1352 5.860824 -6.683701 
10.79805 
1 1 1 -19 2   7  o 43.89246 5.644042  441.9552       94.57955 353.8989       
160.2242 489.0475       117.1717 39.75026 9.677951 48.03466 5.810175 -8.284393 
11.28808 
1 1 1 -19 2   8  o 97.05737 3.323080  1878.171       120.2515 2238.468       
240.4792 1758.041       138.8590 102.7816 5.572924 91.33311 3.621321 11.44852 
6.646160 
1 1 1 -19 2   9  o 92.88387 3.773148  1776.789       121.8512 1920.992       
264.4070 1737.905       137.3004 94.97346 6.631194 90.79429 3.601921 4.179169 
7.546295 
1 1 1 -19 2   10 o 53.17240 3.970598  593.3242       81.74926 619.0302       
148.9183 582.2364       97.80344 53.87140 6.584319 52.47341 4.439518 1.397984 
7.941195 
1 1 1 -19 2   11 o 142.0422 4.616640  4035.640       196.8667 4720.873       
524.5060 3923.277       212.3953 147.7672 8.454606 136.3171 3.711211 11.45013 
9.233279 
1 1 1 -19 2   12 o 40.86957 4.666441  335.0419       75.13367 460.8962       
132.8618 275.8728       91.09908 46.34573 6.828283 35.39341 6.362174 10.95233 
9.332883 
1 1 1 -19 2   13 o 47.60589 4.416950  444.1667       76.45575 571.9833       
161.1790 407.0563       86.84850 51.43746 7.463629 43.77432 4.725676 7.663139 
8.833899 
1 1 1 -19 2   14 o 86.67145 2.816252  1616.456       88.94314 1541.481       
174.8248 1642.639       103.3128 85.08733 4.893947 88.25557 2.788259 -3.168236 
5.632504 
1 1 1 -19 2   15 o 19.60821 5.566506  32.27422       65.38784 87.77870       
119.7598 8.700460       78.04794 23.16835 8.840177 16.04806 6.767217 7.120291 
11.13301 
1 1 1 -19 2   16 o 19.65632 5.513439  52.80340       65.64417 11.09318       
119.7763 70.71037       78.48030 19.55078 8.319691 19.76186 7.237043 
-0.2110806     11.02688 
1 1 1 -19 2   17 o 108.8764 2.564117  2476.628       105.4520 2613.717       
200.9317 2424.517       123.8840 110.6504 4.325301 107.1024 2.755099 3.548050 
5.128235 
1 1 1 -19 2   18 o 84.87489 3.372327  1550.263       120.0259 1627.343       
169.1960 1472.180       170.2940 87.05874 4.629124 82.69103 4.905260 4.367706 
6.744654 
1 1 1 -19 2   19 o 86.27041 5.229969  1615.374       189.4261 1615.374       
189.4261 0.000000       0.000000 86.27041 5.229969 ?        ?        ? ? 
1 1 1 -19 2   20 o 31.00705 6.709060  224.0016       94.41414 289.7305       
150.1216 180.9912       121.4374 34.22807 9.890617 27.78604 9.067615 6.442038 
13.41812 
1 1 1 -19 2   21 o 21.83932 6.485509  45.45920       100.4713 90.20465       
152.3628 11.03200       133.6458 23.83748 9.690708 19.84117 8.621919 3.996311 
12.97102 
1 1 1 -19 2   22 o 28.01133 7.158380  185.8664       105.6516 202.1283       
173.2359 176.2358       133.3143 28.91703 10.72827 27.10563 9.480186 1.811399 
14.31676 
1 1 1 -19 2   23 o 24.14173 6.768628  112.7757       101.3169 153.5815       
157.1048 83.72097       132.5675 26.05995 10.07854 22.22350 9.037713 3.836447 
13.53726 
1 1 1 -19 2   24 o 45.92062 5.659529  530.5588       102.8855 439.6675       
157.5894 598.0810       135.8280 40.95521 9.364750 50.88604 6.357870 -9.930824 
11.31906 
1 1 1 -19 2   25 o 17.81739 5.740077  -26.52595      93.32885 -15.57902      
145.6698 -34.14827      121.5533 18.79627 8.530896 16.83851 7.682300 1.957758 
11.48015 
1 1 1 -19 2   26 o 33.65540 6.686101  324.4455       98.01262 335.0234       
146.5045 315.8754       131.8693 33.82300 9.769818 33.48779 9.130523 0.3352089 
13.37220 
1 1 1 -19 2   27 o 21.95650 6.241043  106.4703       98.74382 -32.47443      
153.1162 205.3996       129.2000 17.78441 8.310598 26.12859 9.313240 -8.344179 
12.48209 
1 1 1 -19 3   1  o 43.00158 6.067985  400.9206       103.0517 411.8051       
174.1500 395.0556       127.8354 42.91066 9.866817 43.09250 7.065952 
-0.1818352     12.13597 
1 1 1 -19 3   2  o 80.77907 3.675493  1379.625       119.7882 1380.239       
199.0672 1379.276       149.9816 80.71203 5.874657 80.84611 4.418755 
-0.1340790     7.350985 
1 1 1 -19 3   3  f 17.16761 5.660038  -120.2927      97.09756 -146.8761      
157.7250 -104.0701      123.2127 18.05017 8.434770 16.28506 7.549754 1.765114 
11.32008 
1 1 1 -19 3   4  o 155.4230 4.844670  5222.267       301.6288 4830.733       
498.1370 5448.925       379.0092 150.4255 7.887663 160.4205 5.627439 -9.995041 
9.689340 
1 1 1 -19 3   5  o 195.7592 5.191890  8067.634       398.5365 8438.212       
709.5493 7896.843       481.6979 198.5070 8.513885 193.0115 5.944464 5.495544 
10.38378 
1 1 1 -19 3   6  o 62.12728 4.476342  840.4568       111.3499 743.3986       
181.5756 898.9571       140.9681 59.06013 7.322917 65.19442 5.150287 -6.134285 
8.952684 
1 1 1 -19 3   7  o 48.78955 4.482826  497.3210       91.03944 575.9168       
140.1790 439.9880       119.7252 52.06163 6.413371 45.51747 6.265109 6.544155 
8.965652 
1 1 1 -19 3   8  o 46.83778 5.799455  535.7479       99.81503 336.5582       
170.3136 639.9575       123.1884 38.70837 10.29754 54.96719 5.338108 -16.25882 
11.59891 
1 1 1 -19 3   9  o 40.40223 4.988260  370.1134       72.56025 321.9898       
137.0168 388.8696       85.53960 37.93237 8.771863 42.87209 4.752407 -4.939720 
9.976520 
1 1 1 -19 3   10 o 168.3864 5.437879  5965.005       272.0746 6267.053       
714.1890 5913.727       294.2642 169.4986 10.03617 167.2742 4.190149 2.224396 
10.87576 
1 1 1 -19 3   11 o 133.0877 3.709502  3655.558       159.9327 3934.661       
380.6254 3595.715       176.2463 135.5913 6.686317 130.5842 3.214773 5.007095 
7.419003 
1 1 1 -19 3   12 o 88.88548 3.506998  1790.179       108.6113 1474.892       
218.4952 1893.653       125.1715 83.02287 6.268524 94.74809 3.146705 -11.72522 
7.013996 
1 1 1 -19 3   13 o 132.3559 4.247949  3579.475       139.9875 3969.581       
456.9391 3539.068       147.0587 135.1281 8.054412 129.5837 2.703095 5.544373 
8.495897 
1 1 1 -19 3   14 o 120.2259 3.020373  3086.049       135.4576 3027.912       
258.6620 3108.018       159.0044 119.1327 5.171574 121.3192 3.121769 -2.186508 
6.040746 
1 1 1 -19 3   15 o 53.20719 3.298464  592.9569       71.19347 642.3307       
118.8650 565.3364       88.90394 54.81659 5.164916 51.59780 4.104034 3.218788 
6.596927 
1 1 1 -19 3   16 o 35.80158 5.122569  324.8233       69.54546 187.2144       
123.0928 389.3446       84.28711 28.90668 9.102377 42.69649 4.702081 -13.78982 
10.24514 
1 1 1 -19 3   17 o 104.6773 2.547807  2266.675       105.3449 2507.050       
187.2792 2155.414       127.4134 108.4431 4.113473 100.9116 3.007428 7.531502 
5.095614 
1 1 1 -19 3   18 o 37.48460 5.307852  320.0802       79.99799 305.7712       
105.9178 339.0831       122.0602 36.63215 7.141775 38.33704 7.854185 -1.704891 
10.61570 
1 1 1 -19 3   19 o 72.93106 3.906534  1133.745       116.1031 1264.651       
192.4739 1058.867       145.5694 75.90590 6.039729 69.95623 4.956380 5.949669 
7.813067 
1 1 1 -19 3   20 o 32.43466 11.45342  256.6388       194.9946 256.6388       
194.9946 0.000000       0.000000 32.43466 11.45342 ?        ?        ? ? 
1 1 1 -19 3   21 o 75.35481 4.185641  1274.094       130.6320 1068.735       
187.4884 1467.844       182.1120 68.98478 6.473546 81.72485 5.307690 -12.74007 
8.371283 
1 1 1 -19 3   22 o 60.54424 4.880888  866.9966       118.4469 627.6222       
174.1067 1073.239       161.6091 51.59109 8.038256 69.49738 5.538835 -17.90629 
9.761775 
1 1 1 -19 3   23 o 31.37122 6.936172  245.6982       100.8440 331.7966       
160.0745 189.0423       129.8515 35.23309 10.22367 27.50936 9.376490 7.723724 
13.87234 
1 1 1 -19 3   24 o 54.84488 4.839070  681.4434       108.0318 802.1203       
180.7765 614.4063       134.7373 57.99328 7.424809 51.69647 6.207947 6.296810 
9.678141 
1 1 1 -19 3   25 o 25.62846 6.775378  161.6306       97.66991 210.5628       
150.6473 126.1476       128.2843 27.83249 10.04295 23.42443 9.097367 4.408056 
13.55076 
1 1 1 -19 3   26 o 37.56760 6.343122  406.5858       102.9119 291.5437       
161.5840 485.0982       133.4870 30.84577 10.45962 44.28943 7.178933 -13.44366 
12.68624 
1 1 1 -19 3   27 o 23.39569 6.288677  110.6424       96.49001 284.9680       
144.8284 -28.49494      129.3883 30.04102 9.902473 16.75036 7.754409 13.29066 
12.57735 
1 1 1 -19 4   1  o 79.35735 3.948467  1353.927       129.1156 1199.385       
195.3255 1473.862       172.0712 75.19650 6.187033 83.51820 4.907363 -8.321701 
7.896935 
1 1 1 -19 4   2  o 51.64329 5.390550  604.1713       107.1465 476.4223       
171.2012 686.4286       137.3774 46.35987 9.120968 56.92670 5.748047 -10.56683 
10.78110 
1 1 1 -19 4   3  o 102.8506 4.079327  2233.087       171.5412 2275.673       
277.0637 2206.615       218.4458 103.5396 6.373742 102.1616 5.093038 1.377922 
8.158653 
1 1 1 -19 4   4  o 32.00027 6.249662  228.6635       86.78077 199.5538       
133.4352 250.0009       114.2412 30.46412 9.454090 33.53643 8.176385 -3.072313 
12.49932 
1 1 1 -19 4   5  o 70.67519 4.063309  1066.466       111.0506 1037.551       
199.3026 1079.486       133.7346 69.84286 6.796916 71.50752 4.454644 -1.664665 
8.126618 
1 1 1 -19 4   6  f 45.00935 5.787932  447.3537       103.2086 417.5259       
166.7037 465.8929       131.4255 43.21787 9.447791 46.80082 6.688787 -3.582943 
11.57586 
1 1 1 -19 4   7  o 196.0449 4.363270  8139.879       314.1536 8212.934       
618.8870 8114.521       364.6222 196.0784 7.518008 196.0114 4.430808 
0.6698608E-01  8.726541 
1 1 1 -19 4   8  o 87.10117 3.822875  1677.100       132.9276 1337.519       
210.3554 1902.848       171.5119 79.28982 6.319131 94.91251 4.304194 -15.62270 
7.645751 
1 1 1 -19 4   9  o 34.52527 6.010407  288.0560       82.33957 175.4855       
164.9587 325.4102       95.02393 29.92131 10.53762 39.12923 5.784327 -9.207916 
12.02081 
1 1 1 -19 4   10 o 85.30233 3.363720  1329.085       93.23045 1899.514       
235.1506 1222.696       101.5530 94.44343 5.930557 76.16123 3.175996 18.28220 
6.727441 
1 1 1 -19 4   11 o 136.9297 3.686651  3852.258       164.5620 4200.625       
389.6773 3776.645       181.5446 140.0501 6.627394 133.8094 3.231601 6.240707 
7.373303 
1 1 1 -19 4   12 o 136.5749 4.628863  3757.919       168.0954 4330.281       
513.8829 3689.339       177.8812 140.9261 8.685480 132.2237 3.204362 8.702377 
9.257727 
1 1 1 -19 4   13 o 134.2915 4.362592  3439.867       164.0964 4480.222       
486.0612 3306.037       174.3317 143.4760 8.069241 125.1071 3.319064 18.36894 
8.725183 
1 1 1 -19 4   14 o 86.54510 2.998451  1614.059       97.28965 1535.616       
182.8020 1645.059       114.9167 84.83116 5.132710 88.25904 3.101308 -3.427879 
5.996901 
1 1 1 -19 4   15 o 107.9252 2.780466  2427.892       111.0040 2565.719       
218.7753 2380.108       128.8171 109.6824 4.750971 106.1679 2.890023 3.514450 
5.560931 
1 1 1 -19 4   16 o 21.33534 5.256579  90.98780       57.85272 95.00972       
84.13329 87.38035       79.68039 21.70931 7.537045 20.96137 7.329357 0.7479420 
10.51316 
1 1 1 -19 4   17 o 66.23018 2.965735  937.8557       82.17986 911.3135       
120.2972 961.0815       112.5309 65.29877 4.388049 67.16159 3.990909 -1.862816 
5.931469 
1 1 1 -19 4   18 o 79.81403 3.232988  1366.427       108.1800 1395.576       
157.8797 1340.629       148.5275 80.57797 4.666927 79.05009 4.475337 1.527885 
6.465976 
1 1 1 -19 4   19 o 35.04326 5.658560  280.7070       87.02507 432.3713       
127.7850 149.5222       118.8448 44.06821 6.906779 26.01831 8.965134 18.04990 
11.31712 
1 1 1 -19 4   20 o 18.24330 5.779688  -86.89471      92.17745 65.34614       
150.2734 -178.7303      116.7137 22.97982 9.521996 13.50677 6.553683 9.473051 
11.55938 
1 1 1 -19 4   21 o 16.95256 7.882617  -88.14019      135.6013 0.000000       
0.000000 -88.14019      135.6013 ?        ?        16.95256 7.882617 ? ? 
1 1 1 -19 4   22 o 39.01672 6.661061  380.0341       107.1178 432.5374       
165.1329 341.8924       140.7473 41.17217 9.701202 36.86128 9.130478 4.310894 
13.32212 
1 1 1 -19 4   23 o 35.19502 6.670025  300.2097       104.3131 480.6292       
165.2634 180.7276       134.4889 43.33966 9.348976 27.05039 9.515965 16.28927 
13.34005 
1 1 1 -19 4   24 o 112.7307 3.964904  2856.295       180.8864 2945.925       
299.1323 2804.626       227.1157 113.0451 6.302784 112.4163 4.812147 0.6288223 
7.929808 
1 1 1 -19 4   25 o 37.87779 6.251087  396.6524       105.0003 227.5423       
157.1982 532.8806       141.0900 28.65014 10.26681 47.10545 7.134215 -18.45532 
12.50217 
1 1 1 -19 4   26 o 24.80159 6.835600  159.6431       100.9048 192.4582       
160.0075 137.9763       130.0173 26.14943 10.15921 23.45376 9.148342 2.695667 
13.67120 
1 1 1 -19 4   27 o 17.77566 5.685802  -64.88140      98.71253 125.8629       
145.0100 -229.6002      134.7547 22.42549 9.326789 13.12582 6.505717 9.299670 
11.37160 
1 1 1 -19 5   1  o 31.50755 5.678909  232.7786       96.28844 -82.04283      
169.3180 383.2575       117.0600 20.54391 9.268261 42.47118 6.565010 -21.92727 
11.35782 
1 1 1 -19 5   2  o 109.4884 3.535754  2500.677       153.0999 2634.234       
268.7660 2436.522       186.2768 111.5008 5.741394 107.4760 4.128273 4.024796 
7.071509 
1 1 1 -19 5   3  o 100.0306 3.312905  2127.240       134.8596 2057.203       
217.5787 2170.932       171.8517 98.60386 5.255857 101.4573 4.034516 -2.853455 
6.625809 
1 1 1 -19 5   4  o 92.12289 3.786296  1776.516       138.3254 1857.218       
241.0427 1736.890       168.9054 93.54485 6.137551 90.70093 4.435606 2.843925 
7.572591 
1 1 1 -19 5   5  o 94.95299 4.187082  1870.087       159.8687 2059.293       
273.4610 1771.845       197.0495 98.39597 6.619712 91.51002 5.128942 6.885948 
8.374165 
1 1 1 -19 5   6  o 100.9364 4.004628  2161.792       146.8331 2157.240       
293.3522 2163.313       169.6089 100.6106 6.944910 101.2621 3.989538 
-0.6514969     8.009256 
1 1 1 -19 5   7  o 79.33606 4.094677  1311.271       125.4757 1400.170       
230.8356 1273.988       149.4892 81.04352 6.784307 77.62859 4.586795 3.414925 
8.189354 
1 1 1 -19 5   8  o 158.3415 3.895553  5224.246       225.9675 5523.062       
452.0650 5124.716       260.8998 160.8901 6.692566 155.7929 3.988845 5.097183 
7.791106 
1 1 1 -19 5   9  o 73.10313 3.549863  1099.576       96.34835 1205.682       
190.4572 1063.083       111.6947 75.24163 6.029207 70.96465 3.748967 4.276985 
7.099725 
1 1 1 -19 5   10 o 163.2369 5.367377  5596.669       266.2331 5941.286       
681.5262 5534.610       289.2132 164.7446 9.853541 161.7292 4.259422 3.015427 
10.73475 
1 1 1 -19 5   11 o 82.17509 3.749352  1342.994       108.0530 1612.928       
237.0252 1272.180       121.4017 86.76432 6.506903 77.58586 3.727032 9.178459 
7.498703 
1 1 1 -19 5   12 o 66.92040 3.848814  950.8666       87.31815 962.2036       
192.6853 947.9368       97.95325 66.85996 6.864414 66.98084 3.483287 
-0.1208801     7.697628 
1 1 1 -19 5   13 o 66.21993 3.458760  878.7339       83.63689 1046.922       
172.6198 827.1389       95.60874 69.91193 5.881124 62.52793 3.642039 7.384007 
6.917519 
1 1 1 -19 5   14 o 17.06002 5.108394  8.942356       63.07156 -105.7316      
125.0849 48.03796       73.03590 16.20912 7.549984 17.91091 6.883349 -1.701790 
10.21679 
1 1 1 -19 5   15 o 63.98109 3.145580  869.3781       75.51604 877.2798       
143.8109 866.3698       88.73418 63.97528 5.354276 63.98690 3.303094 
-0.1162720E-01 6.291160 
1 1 1 -19 5   16 o 25.65721 5.724412  144.3760       68.15604 153.5026       
105.6700 137.8746       89.18714 26.37265 8.448034 24.94177 7.726985 1.430878 
11.44882 
1 1 1 -19 5   17 o 127.5954 3.359330  3490.550       179.8960 3384.470       
250.8039 3602.960       258.1790 125.5968 4.756385 129.5940 4.745228 -3.997208 
6.718660 
1 1 1 -19 5   18 o 78.08528 3.361247  1301.711       109.7197 1165.600       
147.8795 1468.400       163.6506 73.56802 4.787845 82.60255 4.718948 -9.034531 
6.722494 
1 1 1 -19 5   19 o 86.03166 3.519700  1602.498       126.8981 1623.804       
185.6001 1583.795       173.8935 86.49535 5.111008 85.56799 4.840531 0.9273605 
7.039400 
1 1 1 -19 5   20 o 18.96929 5.835008  1.252479       87.47396 -24.59971      
127.5270 24.22345       120.2107 18.32805 8.163324 19.61053 8.339629 -1.282486 
11.67002 
1 1 1 -19 5   21 o 29.72946 6.557397  217.2095       90.69119 226.1334       
128.4318 208.3342       128.0823 30.27333 9.251033 29.18558 9.296032 1.087749 
13.11479 
1 1 1 -19 5   22 o 49.58369 7.602943  625.0584       132.6254 670.3705       
283.2317 612.3327       150.0981 47.50327 13.54003 51.66412 6.920016 -4.160847 
15.20589 
1 1 1 -19 5   23 o 53.64426 5.238206  685.8094       115.4351 607.9973       
174.3390 746.5557       154.0388 50.18163 8.275055 57.10689 6.424847 -6.925262 
10.47641 
1 1 1 -19 5   24 o 30.91312 6.047328  255.3089       99.49022 31.03007       
155.3498 411.2583       129.5413 21.00539 9.210913 40.82085 7.838352 -19.81546 
12.09466 
1 1 1 -19 5   25 o 45.81301 5.974870  564.0872       106.0136 412.1081       
168.6601 663.3516       136.3067 38.14555 10.29282 53.48047 6.070758 -15.33493 
11.94974 
1 1 1 -19 5   26 o 24.47565 6.723138  154.9238       98.38965 184.7314       
149.4455 132.1195       130.7158 25.77566 9.863517 23.17564 9.138565 2.600019 
13.44628 
1 1 1 -19 5   27 o 33.90314 6.841335  350.7914       102.1031 351.5307       
147.7451 350.1156       141.2640 33.72195 9.833965 34.08434 9.513600 
-0.3623848     13.68267 
1 1 1 -19 6   1  o 117.4840 4.589713  2955.237       216.1114 2861.196       
361.1857 3007.680       269.7201 115.7893 7.429906 119.1788 5.390579 -3.389542 
9.179425 
1 1 1 -19 6   2  o 20.19873 6.080355  -107.7319      98.89059 115.8431       
159.3133 -247.8744      126.1320 26.96392 10.22294 13.43353 6.585921 13.53040 
12.16071 
1 1 1 -19 6   3  o 80.83089 4.211043  1299.210       133.9750 1640.728       
245.4822 1154.335       159.8862 87.80924 6.658876 73.85254 5.156637 13.95670 
8.422086 
1 1 1 -19 6   4  o 34.62676 6.769710  225.7232       104.9902 432.7013       
176.1755 111.7325       130.7428 43.91017 9.806736 25.34336 9.335085 18.56681 
13.53942 
1 1 1 -19 6   5  o 186.5733 5.946692  7650.140       416.5524 7075.034       
773.1450 7885.361       494.4544 180.5154 10.20159 192.6312 6.113933 -12.11581 
11.89338 
1 1 1 -19 6   6  o 76.74677 3.938077  1298.415       120.3786 1072.363       
193.9905 1439.968       153.5096 70.95184 6.512352 82.54169 4.429792 -11.58986 
7.876153 
1 1 1 -19 6   7  o 73.87460 3.984205  1231.074       113.9893 945.6284       
189.4337 1393.097       142.7196 66.54986 6.780022 81.19934 4.186509 -14.64948 
7.968410 
1 1 1 -19 6   8  o 93.13987 3.377450  1818.308       117.9698 1881.028       
226.4362 1794.943       138.2082 94.04455 5.735000 92.23519 3.569095 1.809357 
6.754899 
1 1 1 -19 6   9  o 38.89323 5.300402  373.2086       75.18796 239.4933       
137.7863 429.9093       89.72417 32.75176 9.479300 45.03471 4.745513 -12.28294 
10.60080 
1 1 1 -19 6   10 o 100.7078 3.207685  2071.844       118.8132 2313.625       
239.3142 1992.754       136.8734 104.2437 5.468144 97.17189 3.355053 7.071770 
6.415370 
1 1 1 -19 6   11 o 166.5414 4.042945  5915.640       229.0627 5930.265       
501.7977 5911.791       257.4516 165.8506 7.206635 167.2321 3.666882 -1.381485 
8.085890 
1 1 1 -19 6   12 f 86.72279 3.537148  1640.130       109.7265 1524.982       
219.9266 1678.292       126.6105 84.31861 6.212629 89.12698 3.383620 -4.808365 
7.074295 
1 1 1 -19 6   13 o 51.91674 4.027946  582.1436       79.12577 565.3649       
147.0558 588.9807       93.87298 51.15771 6.846869 52.67577 4.244737 -1.518055 
8.055893 
1 1 1 -19 6   14 o 79.89462 2.946171  1408.905       91.66443 1203.584       
156.3404 1516.460       113.1542 75.08879 4.959264 84.70044 3.182042 -9.611649 
5.892342 
1 1 1 -19 6   15 o 146.4251 3.777764  4439.408       185.7292 4874.731       
422.9858 4335.431       206.7235 149.7921 6.726019 143.0582 3.441900 6.733887 
7.555528 
1 1 1 -19 6   16 o 136.5904 3.394583  3956.081       193.2505 3680.192       
255.3247 4326.104       295.6924 131.1634 4.636619 142.0175 4.959289 -10.85411 
6.789166 
1 1 1 -19 6   17 o 66.11422 3.814188  944.6085       105.7765 940.9143       
146.4325 948.6395       152.9620 66.01779 5.283205 66.21065 5.502714 
-0.1928558     7.628376 
1 1 1 -19 6   18 o 60.04329 4.097802  786.8737       103.0412 783.3766       
150.8570 789.9319       141.0784 59.83403 6.005350 60.25256 5.577069 
-0.4185333     8.195603 
1 1 1 -19 6   19 o 40.78825 5.550752  388.0330       91.36240 386.3639       
133.7804 389.4919       125.0708 40.56215 8.142612 41.01435 7.545943 
-0.4522018     11.10150 
1 1 1 -19 6   20 o 40.23043 5.459822  378.1265       89.92479 350.6058       
131.5406 402.2731       123.2132 38.22287 8.423809 42.23800 6.948241 -4.015125 
10.91964 
1 1 1 -19 6   21 o 23.81481 6.309923  98.03292       90.64714 195.2459       
132.5220 12.55669       124.2649 28.37932 9.472418 19.25031 8.338694 9.129009 
12.61985 
1 1 1 -19 6   22 o 17.91121 5.659055  -39.28120      90.68792 -125.2924      
130.5828 40.85206       126.0419 15.53834 7.382597 20.28409 8.578862 -4.745753 
11.31811 
1 1 1 -19 6   23 o 34.10994 7.013705  301.9673       105.1346 356.6837       
165.0531 264.6093       136.3818 36.36043 10.32734 31.85946 9.492855 4.500973 
14.02741 
1 1 1 -19 6   24 o 24.55839 10.41427  105.9131       186.5524 105.9131       
186.5524 0.000000       0.000000 24.55839 10.41427 ?        ?        ? ? 
1 1 1 -19 6   25 o 68.40683 4.157889  1095.724       115.6954 997.2283       
181.6426 1162.961       150.0757 64.89626 6.666826 71.91740 4.970471 -7.021133 
8.315778 
1 1 1 -19 6   26 o 18.76430 5.915009  2.118921       99.59425 -114.0629      
155.9386 82.15926       129.4313 16.62435 7.950618 20.90425 8.759965 -4.279894 
11.83002 
1 1 1 -19 6   27 o 17.05912 5.566643  -50.20156      98.01270 -172.0899      
143.1613 57.33408       134.4685 14.50916 7.089438 19.60908 8.584283 -5.099920 
11.13329 
1 1 1 -19 7   1  o 47.00320 5.903387  479.4734       109.7208 494.4507       
181.3585 470.8266       137.8004 47.03235 9.517177 46.97406 6.987364 
0.5829620E-01  11.80677 
1 1 1 -19 7   2  o 100.0661 3.417014  2071.735       136.7667 2271.427       
236.5379 1971.446       167.6282 103.5023 5.443423 96.63000 4.131960 6.872246 
6.834028 
1 1 1 -19 7   3  o 45.21678 5.055665  433.8969       95.50829 465.4240       
143.9183 409.0851       127.6742 46.65274 7.347845 43.78083 6.946090 2.871910 
10.11133 
1 1 1 -19 7   4  o 108.6072 3.575134  2512.993       160.0648 2418.913       
248.6967 2579.525       209.1395 106.7617 5.548499 110.4527 4.510042 -3.691040 
7.150267 
1 1 1 -19 7   5  o 220.9724 5.196802  10495.30       462.8946 10307.46       
766.2365 10603.24       580.8710 218.7834 8.341989 223.1614 6.199858 -4.377991 
10.39360 
1 1 1 -19 7   6  o 58.60194 4.619737  750.9756       107.7403 671.4173       
178.4738 796.5924       135.1433 55.93011 7.600632 61.27378 5.253405 -5.343662 
9.239473 
1 1 1 -19 7   7  o 49.49035 5.788457  588.8785       104.0291 413.0463       
181.6489 674.6927       126.9004 42.62156 10.25971 56.35915 5.363144 -13.73759 
11.57691 
1 1 1 -19 7   8  o 105.6390 3.471282  2437.742       137.9901 2204.918       
254.1836 2535.031       164.3105 101.6941 5.953504 109.5838 3.571413 -7.889641 
6.942564 
1 1 1 -19 7   9  o 86.14840 3.529714  1542.210       109.0695 1643.179       
225.5389 1511.389       124.6093 87.69261 6.126036 84.60419 3.508163 3.088425 
7.059428 
1 1 1 -19 7   10 o 77.53830 3.728295  1290.923       105.9391 1257.523       
207.4211 1302.710       123.2233 76.58184 6.451314 78.49476 3.739153 -1.912918 
7.456589 
1 1 1 -19 7   11 o 103.4004 3.660168  2101.434       124.3744 2572.560       
299.1260 2002.959       136.7564 109.4216 6.511370 97.37914 3.345052 12.04242 
7.320335 
1 1 1 -19 7   12 o 179.4779 5.423839  6682.438       270.8512 7442.970       
776.4577 6577.074       289.0047 182.7551 10.11974 176.2007 3.906775 6.554367 
10.84768 
1 1 1 -19 7   13 o 43.15070 4.592978  375.4738       76.70020 471.0891       
144.9914 338.3198       90.38195 46.53717 7.421017 39.76423 5.413900 6.772945 
9.185957 
1 1 1 -19 7   14 o 74.23997 3.958142  1204.827       106.8573 1139.090       
209.6274 1227.906       124.2060 72.41725 6.894887 76.06269 3.889484 -3.645439 
7.916284 
1 1 1 -19 7   15 o 19.19512 5.888396  -49.64957      98.10457 -235.9585      
156.3942 71.22495       125.9712 15.82615 7.657005 22.56408 8.947799 -6.737935 
11.77679 
1 1 1 -19 7   16 o 96.45187 3.203178  1948.716       127.2559 1789.550       
162.3314 2202.476       204.9690 91.56907 4.222550 101.3347 4.817828 -9.765602 
6.406356 
1 1 1 -19 7   17 o 72.68448 3.575455  1137.290       108.9914 1209.712       
157.8300 1071.270       150.6920 74.90670 5.018683 70.46225 5.093951 4.444450 
7.150910 
1 1 1 -19 7   18 o 38.19329 5.497076  338.1721       85.16690 368.1645       
122.5900 310.1915       118.4073 39.95358 7.582841 36.43301 7.960645 3.520569 
10.99415 
1 1 1 -19 7   19 o 74.04393 3.452787  1190.005       107.2136 1168.246       
154.4005 1210.266       148.9902 73.32418 5.015595 74.76369 4.746658 -1.439507 
6.905574 
1 1 1 -19 7   20 o 68.32355 3.590868  1016.844       102.8255 1099.934       
149.9504 943.0936       141.2718 70.97415 5.032321 65.67296 5.123774 5.301193 
7.181735 
1 1 1 -19 7   21 o 25.43681 6.516893  143.2118       91.25053 99.76642       
131.4165 183.6600       126.8026 23.26571 9.166532 27.60791 9.265759 -4.342196 
13.03379 
1 1 1 -19 7   22 o 17.00081 5.482646  -55.19709      88.63605 -123.0138      
132.0890 0.3531851      119.5478 15.68024 7.438189 18.32138 8.056734 -2.641141 
10.96529 
1 1 1 -19 7   23 o 46.62341 5.392276  512.5444       100.6811 686.2771       
151.8902 376.3853       134.4659 54.51560 6.636360 38.73123 8.500899 15.78437 
10.78455 
1 1 1 -19 7   24 o 65.67500 4.118031  966.1372       104.9751 1032.466       
189.9115 936.9544       125.9688 66.28969 6.823802 65.06033 4.611773 1.229362 
8.236062 
1 1 1 -19 7   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 7   26 o 40.93687 6.376717  484.8845       110.6321 322.1360       
165.6833 615.8351       148.6189 32.04557 10.59147 49.82817 7.104281 -17.78260 
12.75343 
1 1 1 -19 7   27 o 24.28731 6.494442  164.3439       91.98717 114.2338       
123.9255 225.8317       137.2754 21.54084 8.745518 27.03378 9.603491 -5.492939 
12.98888 
1 1 1 -19 8   1  o 43.10558 5.475130  393.3911       95.57478 522.2233       
149.0216 303.3712       124.5680 49.38288 7.187767 36.82827 8.261003 12.55461 
10.95026 
1 1 1 -19 8   2  o 83.49524 4.082790  1440.847       137.0125 1625.253       
235.6496 1346.670       168.4026 87.28857 6.430287 79.70190 5.032703 7.586670 
8.165580 
1 1 1 -19 8   3  o 25.60670 6.906324  85.13554       97.77084 168.2393       
175.2736 47.59605       117.8014 29.92527 10.82933 21.28812 8.574084 8.637142 
13.81265 
1 1 1 -19 8   4  o 107.0984 4.214211  2432.595       178.4572 2471.979       
310.5117 2413.170       218.0695 107.4899 6.880683 106.7069 4.867698 0.7829742 
8.428422 
1 1 1 -19 8   5  o 97.26507 4.011242  2010.645       153.9839 2018.808       
268.1134 2006.627       188.0999 97.19094 6.570732 97.33920 4.602798 
-0.1482544     8.022485 
1 1 1 -19 8   6  o 72.75060 4.151273  1186.238       116.6312 963.8824       
198.6068 1303.284       144.0945 67.03498 7.056894 78.46621 4.374072 -11.43123 
8.302546 
1 1 1 -19 8   7  o 39.34785 5.606115  373.8900       87.03667 228.6197       
141.4280 462.4490       110.4240 32.10151 9.687608 46.59420 5.644852 -14.49269 
11.21223 
1 1 1 -19 8   8  o 48.75603 5.619167  605.3062       93.25333 364.0659       
172.8190 704.4014       110.7626 39.87972 10.26376 57.63234 4.577706 -17.75262 
11.23833 
1 1 1 -19 8   9  o 131.7943 4.093366  3473.797       164.4082 4067.407       
430.2356 3372.291       177.9105 137.2123 7.468516 126.3762 3.353182 10.83607 
8.186731 
1 1 1 -19 8   10 o 146.1195 4.611990  4619.150       208.9135 4538.593       
512.0052 4635.240       228.8288 144.1987 8.457345 148.0403 3.681729 -3.841583 
9.223980 
1 1 1 -19 8   11 o 135.4348 4.386319  3927.968       181.4367 3953.120       
455.7479 3923.231       197.7859 134.6452 8.062222 136.2244 3.458290 -1.579178 
8.772638 
1 1 1 -19 8   12 o 105.9111 3.784914  2273.225       121.9898 2586.072       
317.5614 2219.067       132.1276 109.3175 6.919249 102.5048 3.070227 6.812759 
7.569828 
1 1 1 -19 8   13 o 55.48479 4.137514  661.8536       95.55477 662.1071       
144.8208 661.6582       127.1640 55.40764 6.225619 55.56195 5.451398 
-0.1543083     8.275027 
1 1 1 -19 8   14 o 38.56445 6.316995  341.0649       96.10729 347.0121       
166.3413 338.0847       117.7499 38.42937 10.15552 38.69953 7.515518 
-0.2701530     12.63399 
1 1 1 -19 8   15 o 47.58646 5.680976  529.4688       105.5436 424.7144       
165.9654 600.5996       136.7604 42.56855 9.526175 52.60436 6.192410 -10.03581 
11.36195 
1 1 1 -19 8   16 o 92.51123 3.338525  1802.580       128.4580 1564.612       
168.7606 2130.398       198.0742 85.39245 4.707308 99.63000 4.735425 -14.23756 
6.677050 
1 1 1 -19 8   17 o 90.11660 2.937435  1731.787       110.3595 1791.881       
167.3586 1685.552       146.7984 91.40598 4.361084 88.82722 3.936375 2.578751 
5.874870 
1 1 1 -19 8   18 o 42.87962 5.210979  432.8023       88.56446 319.7943       
130.8511 528.3363       120.3099 36.65697 8.634665 49.10228 5.836076 -12.44531 
10.42196 
1 1 1 -19 8   19 o 17.66463 5.480871  -15.42756      78.55093 24.86139       
116.3417 -49.18021      106.4869 19.40716 8.226753 15.92209 7.244330 3.485070 
10.96174 
1 1 1 -19 8   20 o 28.27944 5.676550  167.9946       90.53790 -45.46341      
132.4568 355.1788       124.0373 17.92329 8.134716 38.63559 7.919551 -20.71229 
11.35310 
1 1 1 -19 8   21 o 43.80583 5.439549  452.2516       97.53172 444.3044       
143.2181 459.1247       133.1887 42.88250 8.249341 44.72917 7.092471 -1.846676 
10.87910 
1 1 1 -19 8   22 f 25.73678 6.514632  148.1203       93.62721 70.98006       
132.6880 224.6147       132.1315 21.78146 8.980164 29.69211 9.440253 -7.910648 
13.02926 
1 1 1 -19 8   23 o 98.94208 3.396472  2155.730       140.5862 2280.440       
209.7183 2053.950       189.4595 101.3979 4.926385 96.48624 4.677051 4.911682 
6.792943 
1 1 1 -19 8   24 o 32.53995 6.318824  281.4239       91.81035 205.3451       
132.1216 352.4643       127.6716 27.91417 9.458097 37.16573 8.381801 -9.251558 
12.63765 
1 1 1 -19 8   25 o 19.85272 6.083675  37.02501       92.54948 76.70158       
143.9905 9.095181       120.8094 21.60938 9.155856 18.09606 8.013409 3.513313 
12.16735 
1 1 1 -19 8   26 o 20.02348 6.596042  -0.2271278E-01 117.7476 -24.37940      
252.3113 6.758754       133.1341 21.81886 10.31707 18.22811 8.221262 3.590746 
13.19208 
1 1 1 -19 8   27 o 21.44748 6.310869  76.81907       100.7949 211.5163       
148.1912 -39.14293      137.4995 26.04419 9.863919 16.85076 7.874729 9.193426 
12.62174 
1 1 1 -19 9   1  o 27.40905 7.082271  134.1793       104.7314 164.7992       
165.2256 113.6132       135.4099 29.29812 10.52303 25.51999 9.481570 3.778139 
14.16454 
1 1 1 -19 9   2  o 110.0954 4.171700  2621.760       189.0451 2358.643       
288.4900 2819.773       250.2662 104.9871 6.545097 115.2037 5.174362 -10.21664 
8.343400 
1 1 1 -19 9   3  o 67.51086 4.437438  988.4919       120.1046 921.9489       
198.3526 1027.013       150.9159 65.49855 7.213190 69.52317 5.170429 -4.024620 
8.874877 
1 1 1 -19 9   4  o 97.63795 3.661681  1954.404       146.3290 2350.741       
242.0208 1726.040       183.7106 105.0902 5.485442 90.18575 4.851964 14.90443 
7.323361 
1 1 1 -19 9   5  o 147.6743 4.997003  4592.864       272.8803 4889.866       
537.9655 4489.973       316.6393 150.0308 8.540732 145.3178 5.189995 4.712952 
9.994006 
1 1 1 -19 9   6  o 24.96338 6.355319  113.1590       91.94325 -43.40925      
167.0354 181.2180       110.1284 21.28270 9.423819 28.64406 8.529478 -7.361357 
12.71064 
1 1 1 -19 9   7  o 30.66001 6.560401  157.9675       93.53520 359.4793       
165.9749 64.18555       113.2275 39.62041 9.976907 21.69960 8.521547 17.92081 
13.12080 
1 1 1 -19 9   8  o 90.51341 3.483180  1603.563       110.5714 2003.694       
244.5826 1500.778       123.9623 96.75290 6.021195 84.27392 3.503624 12.47898 
6.966360 
1 1 1 -19 9   9  o 91.29601 3.868916  1707.324       120.9653 1907.182       
269.6535 1656.973       135.3481 94.07988 6.827007 88.51214 3.642255 5.567741 
7.737832 
1 1 1 -19 9   10 o 63.01918 4.059691  885.4104       89.96365 784.1981       
182.0559 918.1102       103.4809 60.18306 7.205291 65.85530 3.742748 -5.672245 
8.119383 
1 1 1 -19 9   11 o 76.49080 3.789291  1231.153       102.3359 1288.291       
215.2466 1214.465       116.3237 77.24674 6.637083 75.73486 3.658420 1.511887 
7.578582 
1 1 1 -19 9   12 o 69.16178 4.215280  1017.552       118.8114 1077.161       
195.0351 982.3784       149.8191 70.56979 6.582867 67.75378 5.266897 2.816010 
8.430559 
1 1 1 -19 9   13 o 92.92134 4.046367  1906.559       152.3748 1632.813       
238.3228 2095.835       198.1710 86.78163 6.541223 99.06106 4.764949 -12.27943 
8.092733 
1 1 1 -19 9   14 o 42.72427 5.837940  405.8235       97.90569 434.3378       
167.2451 390.9570       120.7605 43.11901 9.494809 42.32954 6.795202 0.7894783 
11.67588 
1 1 1 -19 9   15 o 79.48698 3.836270  1360.288       126.8844 1389.061       
193.4955 1338.581       168.0634 80.08622 5.754853 78.88774 5.074401 1.198479 
7.672541 
1 1 1 -19 9   16 o 69.26052 3.711286  1029.304       107.4732 916.4167       
145.5125 1164.798       159.4176 65.08336 5.325391 73.43768 5.170569 -8.354324 
7.422572 
1 1 1 -19 9   17 o 23.88713 5.334731  104.8668       78.61227 233.9075       
99.30366 -111.7555      128.6629 31.70950 7.556090 16.06477 7.532790 15.64472 
10.66946 
1 1 1 -19 9   18 o 193.2078 4.557787  8281.228       369.6993 8246.153       
520.8117 8316.854       524.8795 192.8147 6.433712 193.6009 6.457633 
-0.7861633     9.115574 
1 1 1 -19 9   19 o 59.26189 3.846404  771.9646       95.41801 705.8405       
134.8213 838.3250       135.0619 56.60183 5.673475 61.92194 5.195284 -5.320110 
7.692808 
1 1 1 -19 9   20 o 69.42995 3.807898  1054.726       110.5508 1190.828       
163.9574 941.2681       149.6985 73.55330 5.309453 65.30661 5.459859 8.246689 
7.615797 
1 1 1 -19 9   21 o 63.17696 3.772733  867.3681       99.12088 742.3602       
130.5408 1037.574       152.3227 57.87873 5.372152 68.47520 5.298494 -10.59646 
7.545466 
1 1 1 -19 9   22 o 49.64382 5.115131  578.9938       105.7312 522.8914       
153.3206 629.8672       146.0008 46.94263 7.779545 52.34501 6.643565 -5.402370 
10.23026 
1 1 1 -19 9   23 o 53.16677 4.570276  653.1093       102.0066 648.2448       
144.7199 657.9123       143.8027 52.93321 6.512101 53.40033 6.414222 
-0.4671211     9.140553 
1 1 1 -19 9   24 f 85.13496 3.418295  1625.476       121.3563 1516.824       
177.8962 1720.050       165.9711 82.10786 5.160633 88.16206 4.484065 -6.054207 
6.836590 
1 1 1 -19 9   25 o 35.63549 6.069547  344.6944       92.50441 238.6001       
132.5230 445.5082       129.1829 29.20750 9.471280 42.06348 7.592922 -12.85598 
12.13909 
1 1 1 -19 9   26 o 22.41205 6.266894  122.6772       88.57659 164.8116       
126.4942 82.14006       124.0734 24.37134 9.142319 20.45275 8.574022 3.918591 
12.53379 
1 1 1 -19 9   27 o 22.96097 6.694354  140.2163       104.2459 162.7490       
153.8884 121.1076       141.7148 23.84463 9.723845 22.07731 9.203497 1.767313 
13.38871 
1 1 1 -19 10  1  o 77.34195 4.236492  1304.541       132.0674 1180.099       
213.4721 1381.704       168.0982 74.07162 6.864522 80.61228 4.966871 -6.540657 
8.472984 
1 1 1 -19 10  2  o 77.99093 4.418166  1363.413       137.1620 1057.677       
215.6449 1571.143       177.7529 70.00912 7.336783 85.97273 4.924670 -15.96361 
8.836331 
1 1 1 -19 10  3  o 96.60237 3.867020  1955.126       148.5788 2097.165       
258.7025 1885.214       181.4971 98.95463 6.227096 94.25011 4.586791 4.704521 
7.734040 
1 1 1 -19 10  4  o 89.71927 4.172705  1658.678       144.5577 1880.887       
269.4097 1568.836       171.3065 93.49977 6.863155 85.93877 4.747945 7.560997 
8.345410 
1 1 1 -19 10  5  o 97.11914 3.313777  2029.473       128.6271 1914.890       
214.7346 2093.593       160.6342 94.76771 5.397129 99.47058 3.846488 -4.702873 
6.627554 
1 1 1 -19 10  6  o 51.69038 4.831082  582.4913       95.85723 556.9343       
173.0251 593.8090       115.1422 50.58744 8.146810 52.79333 5.194892 -2.205883 
9.662164 
1 1 1 -19 10  7  o 94.85143 4.064203  1898.815       140.7758 1976.234       
281.5451 1873.007       162.5551 95.69698 7.007623 94.00588 4.118762 1.691101 
8.128407 
1 1 1 -19 10  8  o 70.60771 3.471704  1041.134       94.67268 1113.995       
174.2173 1010.602       112.7777 72.14075 5.752170 69.07468 3.888888 3.066071 
6.943408 
1 1 1 -19 10  9  o 18.57843 5.710304  -3.924569      79.70328 -121.8296      
158.3479 36.08328       92.23990 18.45036 8.555577 18.70650 7.565210 
-0.2561340     11.42061 
1 1 1 -19 10  10 o 87.58061 3.857155  1602.288       131.1354 1747.067       
240.0097 1540.675       156.5721 90.03139 6.349738 85.12983 4.380801 4.901566 
7.714311 
1 1 1 -19 10  11 o 120.3179 3.469666  3113.094       173.9393 2774.371       
251.4919 3423.705       240.8292 113.8465 5.261689 126.7892 4.524262 -12.94272 
6.939332 
1 1 1 -19 10  12 o 33.64251 6.903768  260.7938       101.9494 263.0995       
161.0733 259.2527       131.6831 33.77788 10.36795 33.50714 9.118860 0.2707405 
13.80754 
1 1 1 -19 10  13 o 73.89076 4.148993  1205.866       123.0682 1078.841       
199.7802 1283.548       156.2310 70.33941 6.765108 77.44212 4.805195 -7.102715 
8.297986 
1 1 1 -19 10  14 o 45.74079 5.685747  476.8916       103.9174 450.0017       
163.1977 495.2297       134.7715 43.91582 9.152321 47.56576 6.748768 -3.649940 
11.37149 
1 1 1 -19 10  15 o 57.29215 5.143754  752.7934       118.0954 612.1988       
185.1387 849.2432       153.3429 52.08594 8.466379 62.49836 5.844079 -10.41243 
10.28751 
1 1 1 -19 10  16 o 84.99876 3.309992  1551.991       117.5796 1765.307       
170.5110 1358.596       162.3542 90.64426 4.480569 79.35326 4.873262 11.29099 
6.619983 
1 1 1 -19 10  17 o 37.66167 6.039737  338.3619       93.46770 376.3269       
130.1266 297.8983       134.3407 40.13275 8.006581 35.19058 9.044798 4.942165 
12.07947 
1 1 1 -19 10  18 o 29.38178 6.188162  193.5004       90.09241 77.18684       
124.4639 321.5174       130.5755 22.20667 8.866353 36.55689 8.634881 -14.35022 
12.37632 
1 1 1 -19 10  19 o 80.78020 3.324950  1395.684       111.5982 1584.368       
173.7506 1263.184       145.6017 85.25875 4.854096 76.30164 4.545208 8.957115 
6.649900 
1 1 1 -19 10  20 o 91.28264 3.671539  1830.774       139.6819 1866.378       
211.3073 1803.142       186.1547 91.82626 5.481111 90.73902 4.886535 1.087234 
7.343079 
1 1 1 -19 10  21 o 25.81673 6.483569  157.2370       87.96427 150.0568       
133.4938 162.7471       116.9432 25.59448 9.432281 26.03898 8.898245 
-0.4444923     12.96714 
1 1 1 -19 10  22 o 77.47756 3.663843  1331.892       118.8502 1389.488       
175.9602 1283.570       161.1709 78.90104 5.311936 76.05408 5.047604 2.846954 
7.327685 
1 1 1 -19 10  23 o 29.30028 6.766690  226.9291       96.64375 192.7195       
136.3371 261.4798       137.0153 27.32648 9.584235 31.27409 9.554832 -3.947611 
13.53338 
1 1 1 -19 10  24 o 57.25886 4.120112  747.2587       98.32941 809.5055       
150.2171 700.5916       130.0669 59.13097 6.050975 55.38675 5.593479 3.744228 
8.240225 
1 1 1 -19 10  25 o 43.56701 5.122540  473.9544       89.93740 564.1501       
127.1732 383.7090       127.2082 48.82906 6.203523 38.30495 8.153402 10.52410 
10.24508 
1 1 1 -19 10  26 o 41.64457 5.686657  464.8231       95.59254 456.5088       
139.3570 472.2120       131.3725 40.86444 8.410810 42.42471 7.655752 -1.560265 
11.37331 
1 1 1 -19 11  1  o 97.50952 4.362268  2056.617       170.7070 1984.617       
283.9187 2097.381       213.6351 95.83126 7.056801 99.18779 5.130213 -3.356529 
8.724536 
1 1 1 -19 11  2  o 112.4616 3.508804  2713.045       162.2204 2590.031       
253.4687 2798.389       211.1217 110.1093 5.483040 114.8140 4.379850 -4.704651 
7.017608 
1 1 1 -19 11  3  o 35.97508 6.090146  311.5587       106.9073 43.95886       
168.0058 493.6440       138.5858 24.12226 10.03621 47.82791 6.901738 -23.70565 
12.18029 
1 1 1 -19 11  4  o 81.61378 3.410127  1463.572       110.4241 1262.466       
182.0469 1580.635       138.8929 76.82816 5.643961 86.39941 3.829042 -9.571259 
6.820253 
1 1 1 -19 11  5  o 96.81046 4.098447  2083.580       151.6488 1811.518       
268.5177 2210.996       183.7603 91.55710 6.985572 102.0638 4.288455 -10.50672 
8.196894 
1 1 1 -19 11  6  o 56.77438 4.785249  712.6271       105.0736 649.6884       
184.6021 742.7898       127.7946 54.54724 8.060926 59.00153 5.159058 -4.454296 
9.570498 
1 1 1 -19 11  7  o 139.6225 4.435179  3986.408       201.8912 4537.408       
481.5260 3868.890       222.3814 144.1453 7.956837 135.0997 3.920715 9.045593 
8.870358 
1 1 1 -19 11  8  o 53.34340 4.536119  587.3701       93.76876 683.0421       
174.3901 548.4602       111.2139 56.02957 7.413538 50.65723 5.229241 5.372341 
9.072238 
1 1 1 -19 11  9  o 112.3138 4.098818  2751.691       188.9304 2475.656       
290.7153 2953.512       248.5809 107.0466 6.468688 117.5810 5.035605 -10.53446 
8.197637 
1 1 1 -19 11  10 o 23.64331 6.577433  71.29283       101.3693 -39.70886      
163.3074 140.8703       129.2931 20.90063 9.278275 26.38599 9.325454 -5.485363 
13.15487 
1 1 1 -19 11  11 o 39.81707 6.390343  346.0126       103.6180 496.8513       
167.7090 252.8819       131.7790 46.55803 8.898019 33.07611 9.174486 13.48192 
12.78069 
1 1 1 -19 11  12 o 129.7256 4.661215  3690.432       237.4642 3587.543       
412.6945 3741.357       290.3438 127.5024 7.709593 131.9488 5.241169 -4.446426 
9.322430 
1 1 1 -19 11  13 o 22.80255 6.602948  58.60069       99.49566 54.58028       
155.6873 61.37627       129.3587 23.41190 9.695963 22.19320 8.965712 1.218699 
13.20590 
1 1 1 -19 11  14 o 24.73294 6.690843  79.60023       100.1351 198.1361       
157.8978 -0.1441856     129.5094 29.83502 10.32851 19.63087 8.508320 10.20415 
13.38169 
1 1 1 -19 11  15 o 45.53173 6.012484  495.2162       103.3295 432.1099       
182.0829 525.1925       125.4939 42.08223 10.36138 48.98124 6.102585 -6.899014 
12.02497 
1 1 1 -19 11  16 o 114.2549 3.705503  2816.689       176.5372 2680.930       
234.2028 2995.319       268.6497 111.2505 5.014308 117.2592 5.457080 -6.008682 
7.411006 
1 1 1 -19 11  17 o 30.91724 6.519088  227.5293       92.18384 178.1498       
126.8031 282.8797       134.2507 27.71694 9.265777 34.11753 9.172753 -6.400591 
13.03818 
1 1 1 -19 11  18 o 43.30064 4.959007  429.5407       86.69001 343.5112       
120.3983 522.1584       124.9233 38.13384 7.789530 48.46743 6.139237 -10.33360 
9.918015 
1 1 1 -19 11  19 o 37.84188 6.002092  352.5543       93.45227 286.0425       
135.2823 413.2640       129.2471 33.86211 9.254746 41.82165 7.645266 -7.959541 
12.00418 
1 1 1 -19 11  20 o 61.20910 4.244252  843.4850       108.5589 800.3492       
158.3781 881.7113       149.0931 59.49936 6.340216 62.91883 5.644144 -3.419479 
8.488503 
1 1 1 -19 11  21 o 90.35777 3.240948  1783.051       122.6548 1628.121       
168.0439 1959.699       179.4361 86.11915 4.647763 94.59638 4.518106 -8.477234 
6.481896 
1 1 1 -19 11  22 o 43.42258 5.564025  459.4558       98.76052 489.8073       
136.9266 426.5453       142.5819 45.64721 7.144875 41.19795 8.531368 4.449253 
11.12805 
1 1 1 -19 11  23 f 31.47205 6.723207  266.7330       97.77378 218.0910       
138.7363 314.7307       137.8143 28.59788 9.691968 34.34622 9.320506 -5.748341 
13.44641 
1 1 1 -19 11  24 o 42.08516 5.684908  449.0168       97.81753 363.4624       
137.0639 537.8199       139.6418 36.89428 8.931646 47.27604 7.035510 -10.38176 
11.36982 
1 1 1 -19 11  25 o 22.64561 6.262912  119.1073       90.69263 47.77257       
132.7559 181.5331       124.1897 19.68954 8.575158 25.60168 9.130330 -5.912148 
12.52582 
1 1 1 -19 11  26 f 17.40572 5.556467  -7.290312      86.03481 65.60413       
133.1753 -59.50438      112.7121 19.87365 8.620928 14.93779 7.012625 4.935859 
11.11293 
1 1 1 -19 12  1  o 34.51656 6.601694  285.8214       102.6082 161.6393       
162.8224 367.6251       132.1513 28.71442 10.43301 40.31868 8.092082 -11.60426 
13.20339 
1 1 1 -19 12  2  o 112.2345 3.889359  2741.761       176.2680 2524.948       
285.2527 2875.690       224.1945 108.2482 6.276680 116.2208 4.594752 -7.972557 
7.778718 
1 1 1 -19 12  3  o 133.4122 4.430736  3908.452       221.3784 3664.000       
413.8623 4006.431       262.0142 129.6228 7.604934 137.2015 4.548698 -7.578659 
8.861471 
1 1 1 -19 12  4  o 99.83302 4.106840  1994.707       152.2637 2460.318       
307.9630 1844.061       175.1725 106.5688 6.883183 93.09719 4.481778 13.47165 
8.213680 
1 1 1 -19 12  5  o 59.50434 4.426352  796.6055       100.5476 676.3223       
176.8584 854.0497       122.2211 55.68049 7.565604 63.32819 4.596955 -7.647705 
8.852703 
1 1 1 -19 12  6  o 33.77930 6.559519  222.0577       94.65171 407.4797       
168.0246 135.8668       114.5574 41.92897 9.725493 25.62962 8.804768 16.29934 
13.11904 
1 1 1 -19 12  7  o 80.04559 3.283057  1393.089       107.5451 1218.268       
165.2887 1521.434       141.6227 75.44194 5.218567 84.64924 3.985024 -9.207298 
6.566114 
1 1 1 -19 12  8  o 73.88708 4.508473  1225.502       132.8158 1009.278       
212.5831 1363.941       170.1006 67.93594 7.453328 79.83823 5.074765 -11.90229 
9.016947 
1 1 1 -19 12  9  o 87.02904 3.840841  1624.183       138.8486 1646.525       
212.9037 1607.648       183.1593 87.40929 5.801587 86.64879 5.034862 0.7604980 
7.681682 
1 1 1 -19 12  10 o 56.19498 4.757833  684.0607       110.5748 711.4662       
173.1664 665.1932       143.6815 56.97772 7.239017 55.41224 6.176126 1.565479 
9.515666 
1 1 1 -19 12  11 o 71.44541 4.383999  1144.081       126.3594 942.7587       
196.6520 1285.653       164.9082 65.52435 7.148528 77.36647 5.077041 -11.84212 
8.767999 
1 1 1 -19 12  12 o 65.89484 4.454151  964.7338       119.1597 863.3514       
188.1564 1032.624       153.9718 62.59087 7.160265 69.19881 5.299851 -6.607948 
8.908301 
1 1 1 -19 12  13 o 122.8097 4.629856  3377.166       222.0896 3106.218       
383.2769 3514.127       272.4999 117.9670 7.738791 127.6523 5.084621 -9.685333 
9.259711 
1 1 1 -19 12  14 o 26.39488 6.371874  136.6405       88.83349 234.7289       
133.7839 59.28728       118.8049 31.48581 9.406173 21.30396 8.598083 10.18185 
12.74375 
1 1 1 -19 12  15 o 122.3937 4.732272  3383.878       226.2439 3132.921       
390.5353 3510.646       277.5652 117.6153 7.908929 127.1721 5.198695 -9.556793 
9.464544 
1 1 1 -19 12  16 o 36.68389 5.881538  325.0728       93.07294 445.9164       
128.8427 193.1962       134.5958 44.65084 6.873075 28.71694 9.546246 15.93390 
11.76308 
1 1 1 -19 12  17 o 74.08048 3.362570  1184.255       103.4753 1141.903       
135.7960 1242.892       159.7859 72.66417 4.451309 75.49680 5.041167 -2.832626 
6.725140 
1 1 1 -19 12  18 o 22.45464 6.328565  78.45351       91.24179 124.7202       
130.3392 33.99287       127.7699 24.57231 9.267077 20.33697 8.621148 4.235340 
12.65713 
1 1 1 -19 12  19 o 80.30003 3.719534  1412.079       124.7769 1529.166       
188.2046 1320.249       166.6731 83.14951 5.391276 77.45055 5.125804 5.698959 
7.439068 
1 1 1 -19 12  20 o 17.34638 5.532287  -86.22762      91.90610 56.89203       
132.1785 -220.1857      127.8779 21.21201 8.868525 13.48074 6.616198 7.731271 
11.06457 
1 1 1 -19 12  21 o 39.54301 5.207634  376.1294       83.25417 382.3166       
115.7887 369.5070       119.7917 40.02090 7.148967 39.06511 7.574304 0.9557915 
10.41527 
1 1 1 -19 12  22 o 26.12946 6.674830  163.7726       96.82141 230.6904       
138.7538 100.2680       135.1689 29.48351 9.692578 22.77540 9.179727 6.708115 
13.34966 
1 1 1 -19 12  23 o 24.77443 6.679593  148.2129       96.61558 131.3254       
137.6701 164.6019       135.6230 23.97387 9.400906 25.57500 9.491617 -1.601133 
13.35919 
1 1 1 -19 12  24 o 23.97464 6.621690  140.8806       96.66763 128.0198       
140.2068 152.5335       133.4599 23.45988 9.393222 24.48939 9.335656 -1.029507 
13.24338 
1 1 1 -19 12  25 o 35.77414 6.097721  343.9935       89.89968 434.3898       
141.0419 282.1370       116.6717 39.69678 8.700698 31.85150 8.545564 7.845285 
12.19544 
1 1 1 -19 12  26 o 18.73412 5.884045  33.71125       93.91409 -4.947725      
137.4905 67.52462       128.5854 17.75414 8.127997 19.71410 8.510206 -1.959955 
11.76809 
1 1 1 -19 13  1  o 37.61474 6.198267  338.6866       96.52854 245.8174       
159.3356 392.5341       121.3276 32.76504 10.36148 42.46444 6.805424 -9.699398 
12.39653 
1 1 1 -19 13  2  o 38.43094 6.676056  340.7471       105.3758 360.0052       
166.7671 327.9476       135.9563 39.14598 10.08688 37.71590 8.748361 1.430077 
13.35211 
1 1 1 -19 13  3  o 61.56281 3.726356  803.2940       93.29398 851.2023       
154.0288 775.5342       117.2478 62.84697 5.837657 60.27866 4.632998 2.568310 
7.452712 
1 1 1 -19 13  4  o 51.99905 5.105411  562.9611       108.7839 742.9901       
178.2420 456.0981       137.3259 58.29374 7.282981 45.70436 7.156749 12.58938 
10.21082 
1 1 1 -19 13  5  o 60.15234 4.535333  794.6823       111.7776 729.7321       
173.8977 840.4106       145.9138 57.79353 7.166972 62.51114 5.559811 -4.717613 
9.070666 
1 1 1 -19 13  6  o 42.14811 5.440148  385.6369       92.97573 517.8645       
143.9772 291.0530       121.7702 48.69954 7.041900 35.59667 8.294124 13.10287 
10.88030 
1 1 1 -19 13  7  o 104.1147 4.443280  2441.703       184.4857 1990.395       
293.8728 2735.251       237.0077 95.25117 7.348694 112.9782 4.996763 -17.72707 
8.886559 
1 1 1 -19 13  8  o 21.13653 6.181636  -28.22904      92.09077 146.1171       
157.1761 -119.3665      113.6394 27.50230 10.21580 14.77076 6.963326 12.73154 
12.36327 
1 1 1 -19 13  9  o 67.24506 4.123576  985.8725       113.6254 942.6251       
179.0347 1015.041       147.0317 65.76184 6.484616 68.72829 5.095614 -2.966446 
8.247152 
1 1 1 -19 13  10 o 60.48374 4.597549  811.4532       111.8744 751.4468       
182.4561 847.6052       141.6202 58.29161 7.455441 62.67587 5.382027 -4.384254 
9.195098 
1 1 1 -19 13  11 o 31.99800 6.760004  240.3766       95.42126 228.9128       
162.2728 246.4356       117.9731 31.52398 10.48190 32.47203 8.539349 
-0.9480534     13.52001 
1 1 1 -19 13  12 o 92.72556 3.778828  1883.604       143.3479 1752.132       
224.9371 1973.513       186.0134 89.61256 5.978790 95.83856 4.623012 -6.226006 
7.557656 
1 1 1 -19 13  13 o 64.35920 4.547303  900.5188       119.0631 960.2061       
196.3558 865.8123       149.7297 65.68340 7.120478 63.03500 5.657797 2.648392 
9.094606 
1 1 1 -19 13  14 o 36.49474 6.319911  338.8418       97.91137 216.5716       
169.8802 399.6617       119.8134 30.56982 10.70069 42.41965 6.727586 -11.84983 
12.63982 
1 1 1 -19 13  15 o 81.64552 3.606509  1453.952       122.7388 1413.210       
183.2354 1487.110       165.3040 80.41628 5.427332 82.87476 4.750969 -2.458488 
7.213018 
1 1 1 -19 13  16 o 32.41404 6.347157  253.3068       88.49944 236.0740       
116.3804 276.9350       136.2752 31.26631 8.601002 33.56178 9.336400 -2.295469 
12.69431 
1 1 1 -19 13  17 o 88.90137 3.253653  1716.078       121.3587 1747.338       
175.4152 1687.379       168.0743 89.63802 4.661183 88.16473 4.540748 1.473282 
6.507305 
1 1 1 -19 13  18 o 55.49818 4.649576  726.8273       98.71024 465.0931       
140.9905 978.4666       138.2448 44.17487 7.886124 66.82149 4.927806 -22.64662 
9.299151 
1 1 1 -19 13  19 o 116.7331 3.103080  2948.194       148.7445 3072.511       
238.2360 2868.772       190.4202 118.3187 4.795954 115.1475 3.938941 3.171204 
6.206161 
1 1 1 -19 13  20 f 27.77005 5.572515  146.5500       89.28507 -63.50422      
123.6812 375.1458       129.0245 16.49315 7.614715 39.04694 8.138048 -22.55379 
11.14503 
1 1 1 -19 13  21 o 23.73079 6.546896  117.4541       95.48592 77.16488       
136.4280 156.1418       133.6887 21.93964 9.080747 25.52194 9.433314 -3.582294 
13.09379 
1 1 1 -19 13  22 o 35.53298 6.717593  339.6660       102.4320 316.5684       
145.7605 362.2018       143.9774 34.12788 9.708797 36.93808 9.286737 -2.810200 
13.43519 
1 1 1 -19 13  23 o 27.79847 6.730837  209.4775       94.45245 199.4128       
129.0036 221.1073       138.6717 27.23963 9.344849 28.35732 9.689710 -1.117695 
13.46167 
1 1 1 -19 13  24 o 22.44563 6.472911  103.2665       98.64449 172.4586       
143.2770 40.91071       136.0149 25.21095 9.654792 19.68031 8.624344 5.530643 
12.94582 
1 1 1 -19 13  25 o 21.09618 6.081435  69.00047       92.39864 202.3297       
136.3080 -44.34951      125.6809 26.00996 9.536435 16.18239 7.549293 9.827568 
12.16287 
1 1 1 -19 14  1  o 92.03763 4.351120  1851.571       159.1190 1811.936       
270.8658 1872.457       196.6221 90.74417 7.109786 93.33108 5.017958 -2.586906 
8.702239 
1 1 1 -19 14  2  o 66.89485 4.696679  999.6221       127.4087 878.3280       
200.3889 1081.927       165.0697 63.01375 7.574596 70.77596 5.555239 -7.762207 
9.393358 
1 1 1 -19 14  3  o 111.0480 4.007452  2677.151       182.6291 2608.550       
288.1694 2723.199       236.0974 109.4946 6.268679 112.6013 4.994233 -3.106667 
8.014905 
1 1 1 -19 14  4  o 69.03747 3.838921  953.1415       103.9125 1243.366       
192.6301 834.0248       123.4080 75.68173 6.062532 62.39321 4.711152 13.28852 
7.677842 
1 1 1 -19 14  5  o 84.48230 4.459399  1563.650       152.4399 1514.846       
248.7992 1592.983       192.8853 82.99291 7.140508 85.97169 5.343977 -2.978783 
8.918797 
1 1 1 -19 14  6  o 24.87351 6.268433  114.2076       94.10860 -63.57283      
161.8779 204.9671       115.6623 19.93320 9.023773 29.81383 8.703132 -9.880634 
12.53687 
1 1 1 -19 14  7  o 119.3735 4.322722  3127.251       212.3083 2949.587       
329.0971 3253.903       277.8619 115.9763 6.758901 122.7708 5.390824 -6.794502 
8.645445 
1 1 1 -19 14  8  o 41.45851 5.903994  348.5900       99.49540 633.9509       
170.2715 200.6364       122.6048 53.42152 7.591835 29.49550 9.043926 23.92602 
11.80799 
1 1 1 -19 14  9  o 69.97556 4.320195  1038.616       121.9489 1176.368       
207.8624 966.3173       150.5880 73.11138 6.771923 66.83974 5.366321 6.271637 
8.640390 
1 1 1 -19 14  10 o 33.29269 6.611570  273.7410       101.2186 157.9028       
160.5326 350.1820       130.4069 27.82597 10.32664 38.75942 8.259052 -10.93345 
13.22314 
1 1 1 -19 14  11 o 58.85372 4.632674  744.0977       110.5511 840.2358       
185.9389 691.5310       137.4920 61.41940 7.210841 56.28805 5.818115 5.131344 
9.265348 
1 1 1 -19 14  12 o 46.40298 5.676502  493.5121       104.9753 497.1731       
168.5572 491.1924       134.1724 45.76391 9.096052 47.04206 6.793566 -1.278156 
11.35300 
1 1 1 -19 14  13 o 41.88057 6.122109  449.9927       101.4180 286.8353       
168.0920 543.3837       127.1734 34.09617 10.61704 49.66497 6.099122 -15.56880 
12.24422 
1 1 1 -19 14  14 o 26.79963 6.722544  154.6822       102.4344 37.25085       
161.9929 232.9216       132.2260 22.57910 9.643904 31.02016 9.368324 -8.441063 
13.44509 
1 1 1 -19 14  15 o 27.12159 6.654274  171.8427       94.30268 103.5523       
159.7970 208.3349       116.8123 24.83328 9.992669 29.40990 8.789995 -4.576622 
13.30855 
1 1 1 -19 14  16 o 22.31291 6.486296  60.34896       94.86093 114.4651       
156.1245 28.67882       119.4354 25.00096 9.946437 19.62486 8.328056 5.376101 
12.97259 
1 1 1 -19 14  17 o 37.62852 5.603576  339.5949       85.63192 327.5436       
117.5126 353.2399       125.0414 36.96169 7.813801 38.29535 8.033975 -1.333656 
11.20715 
1 1 1 -19 14  18 o 26.72765 6.436260  162.7221       93.14041 65.93484       
133.3227 254.9925       130.1746 21.71032 8.980771 31.74499 9.222121 -10.03467 
12.87252 
1 1 1 -19 14  19 o 71.66764 3.829893  1144.026       115.1606 1185.319       
166.5731 1106.219       159.3878 72.88359 5.443724 70.45169 5.388710 2.431900 
7.659787 
1 1 1 -19 14  20 o 20.55783 6.141524  37.83012       93.44028 106.5089       
134.7741 -25.73835      129.6630 23.19601 9.237264 17.91964 8.096062 5.276371 
12.28305 
1 1 1 -19 14  21 o 34.57209 6.541078  315.8388       98.71711 393.6678       
141.5791 242.2000       137.7152 39.06276 8.838230 30.08142 9.645126 8.981346 
13.08216 
1 1 1 -19 14  22 o 15.16993 5.087063  -103.4823      86.74078 -71.23303      
125.1019 -133.3404      120.3746 16.06461 7.508894 14.27525 6.865083 1.789359 
10.17413 
1 1 1 -19 14  23 o 19.01765 5.815076  -48.66748      99.07953 -247.8400      
139.8268 152.1825       140.4143 13.51901 6.682690 24.51629 9.518513 -10.99727 
11.63015 
1 1 1 -19 14  24 o 20.47081 6.067428  81.12123       88.04721 65.84417       
130.4195 93.91517       119.3506 20.06719 8.614717 20.87442 8.546426 
-0.8072262     12.13486 
1 1 1 -19 14  25 o 57.49767 4.659726  824.2845       111.3806 793.9105       
166.4623 848.9061       149.8726 55.80900 7.104487 59.18633 6.031454 -3.377335 
9.319451 
1 1 1 -19 15  1  o 48.95284 5.660077  546.4645       113.3935 537.9017       
166.8928 553.8069       154.5436 48.07059 8.578227 49.83509 7.386468 -1.764492 
11.32015 
1 1 1 -19 15  2  o 30.30763 6.910735  215.6258       101.9308 157.8048       
158.1306 256.7300       133.3264 27.73362 10.25773 32.88163 9.263476 -5.148012 
13.82147 
1 1 1 -19 15  3  o 81.72086 4.173214  1507.583       137.4397 1195.051       
210.8403 1738.518       181.2390 73.57769 6.825406 89.86403 4.803822 -16.28634 
8.346428 
1 1 1 -19 15  4  o 40.72013 6.535960  388.9445       108.1980 426.6091       
167.0498 361.7247       142.0114 42.25864 9.627364 39.18162 8.842451 3.077026 
13.07192 
1 1 1 -19 15  5  o 83.99869 3.733529  1527.607       131.4384 1514.054       
191.0196 1539.794       181.1376 83.56490 5.444716 84.43247 5.109992 
-0.8675766     7.467058 
1 1 1 -19 15  6  o 70.92181 4.341023  1086.915       126.5184 1166.974       
203.4361 1036.420       161.5628 72.77100 6.658720 69.07262 5.571298 3.698372 
8.682046 
1 1 1 -19 15  7  o 57.05695 5.844681  831.9991       119.7179 454.6264       
187.7994 1090.338       155.3831 43.14054 10.46174 70.97337 5.214702 -27.83284 
11.68936 
1 1 1 -19 15  8  o 40.99281 6.288234  387.4664       103.1746 452.1960       
166.6260 347.2165       131.3933 43.51696 9.387624 38.46865 8.368994 5.048309 
12.57647 
1 1 1 -19 15  9  o 32.59015 6.981472  258.3959       104.6778 212.5732       
163.6005 290.1589       136.2087 30.39024 10.51408 34.79006 9.187929 -4.399818 
13.96294 
1 1 1 -19 15  10 o 47.94882 5.519710  506.7845       109.0923 590.8571       
175.7107 454.0490       139.1626 50.91459 8.220099 44.98305 7.368767 5.931541 
11.03942 
1 1 1 -19 15  11 o 69.84573 3.726323  1055.146       108.3118 1112.502       
166.1218 1012.734       142.8507 71.35240 5.545480 68.33905 4.978913 3.013351 
7.452645 
1 1 1 -19 15  12 o 38.25621 6.650156  356.6332       104.2396 357.9169       
167.6846 355.8248       133.0771 37.85934 10.28431 38.65307 8.433936 
-0.7937279     13.30031 
1 1 1 -19 15  13 o 37.65074 6.970980  333.1062       109.3924 453.0975       
181.0157 264.0725       137.3004 42.50953 10.24752 32.79195 9.453388 9.717579 
13.94196 
1 1 1 -19 15  14 o 27.57404 6.963192  160.2691       101.4371 245.9355       
162.5136 105.5919       129.8338 31.48070 10.48967 23.66737 9.160296 7.813334 
13.92638 
1 1 1 -19 15  15 o 55.78790 5.359378  755.8933       114.5877 564.0111       
177.2672 893.6201       150.1828 48.02322 9.121923 63.55259 5.628699 -15.52937 
10.71876 
1 1 1 -19 15  16 o 17.38488 5.707839  -86.32165      100.5687 -123.9253      
155.9569 -59.55420      131.5810 17.41531 8.194632 17.35446 7.947684 
0.6084824E-01  11.41568 
1 1 1 -19 15  17 o 58.63211 4.205447  783.0931       101.2188 616.5421       
144.9990 941.3903       141.3605 51.98416 6.643775 65.28007 5.157846 -13.29591 
8.410893 
1 1 1 -19 15  18 o 57.57065 4.523430  758.6886       108.6325 670.4617       
154.1075 845.8296       153.1562 53.92761 6.806653 61.21369 5.959460 -7.286083 
9.046861 
1 1 1 -19 15  19 o 34.10329 6.409739  303.1396       95.58626 228.2049       
137.1140 373.9893       133.3244 29.59325 9.635136 38.61332 8.455956 -9.020061 
12.81948 
1 1 1 -19 15  20 o 34.22104 5.932554  290.3218       88.70950 443.6581       
133.5672 169.3028       118.6600 42.46883 7.781192 25.97325 8.957335 16.49558 
11.86511 
1 1 1 -19 15  21 o 18.62513 5.833242  -33.26804      97.59529 -163.7874      
139.7855 90.86155       136.3209 15.06137 7.278679 22.18888 9.117438 -7.127508 
11.66648 
1 1 1 -19 15  22 o 53.72191 4.982388  697.7446       112.2675 713.1079       
156.9301 681.6391       160.6765 54.51513 6.856622 52.92868 7.230734 1.586445 
9.964777 
1 1 1 -19 15  23 o 29.79808 6.867855  259.3634       101.6378 334.4287       
145.7730 188.3492       141.7851 33.75932 9.743443 25.83683 9.681685 7.922495 
13.73571 
1 1 1 -19 15  24 o 37.90867 6.439885  414.2491       101.3497 440.0651       
144.4627 389.2270       142.2239 39.33875 8.946504 36.47858 9.265448 2.860165 
12.87977 
1 1 1 -19 16  1  o 25.81021 6.820136  132.6565       103.2127 51.95787       
162.6253 187.0863       133.5591 23.22065 9.778963 28.39977 9.509411 -5.179119 
13.64027 
1 1 1 -19 16  2  o 36.55609 6.747730  311.3219       103.8260 413.3019       
165.9545 245.7337       133.0896 41.15984 9.742678 31.95234 9.338505 9.207499 
13.49546 
1 1 1 -19 16  3  o 58.58537 5.031492  769.7906       120.1761 758.8640       
193.0843 776.7000       153.5409 57.79094 7.958079 59.37980 6.158946 -1.588863 
10.06298 
1 1 1 -19 16  4  o 84.76465 4.205303  1592.588       145.2936 1505.921       
231.0999 1649.236       186.8381 82.35033 6.684293 87.17898 5.104754 -4.828651 
8.410605 
1 1 1 -19 16  5  o 82.05318 4.309999  1519.738       144.0932 1200.080       
213.4253 1787.494       195.3317 73.36156 6.929444 90.74480 5.127102 -17.38323 
8.619999 
1 1 1 -19 16  6  o 23.88222 6.541524  77.13521       91.75648 180.5345       
156.7596 23.24592       113.1688 28.53516 10.24980 19.22928 8.130671 9.305882 
13.08305 
1 1 1 -19 16  7  o 21.69435 6.260946  36.19901       98.79250 -102.5806      
154.8309 131.5003       128.3052 18.16783 8.438178 25.22086 9.251754 -7.053036 
12.52189 
1 1 1 -19 16  8  o 77.23685 3.867403  1319.315       123.6441 1121.706       
179.7664 1496.729       170.3329 71.37165 5.999347 83.10204 4.882115 -11.73038 
7.734805 
1 1 1 -19 16  9  f 26.87301 6.478079  163.4458       87.25825 176.5474       
130.7724 152.9314       117.1517 27.69136 9.409681 26.05466 8.906173 1.636702 
12.95616 
1 1 1 -19 16  10 o 119.0968 3.821541  3114.199       188.8109 3030.657       
287.4827 3177.569       250.3831 117.2819 5.838508 120.9117 4.932395 -3.629822 
7.643081 
1 1 1 -19 16  11 o 29.38554 7.028442  206.0704       102.0534 196.6861       
163.4663 212.0642       130.6404 29.13584 10.46664 29.63525 9.383251 
-0.4994049     14.05688 
1 1 1 -19 16  12 o 45.75780 5.968366  467.4502       109.6757 641.2288       
181.9906 368.3437       137.4365 52.49043 8.258288 39.02518 8.618946 13.46524 
11.93673 
1 1 1 -19 16  13 o 21.24751 6.080162  45.31472       94.28856 -126.8995      
161.2343 134.8170       116.2358 17.79126 8.360042 24.70376 8.830808 -6.912497 
12.16032 
1 1 1 -19 16  14 o 29.82417 7.050831  205.8055       103.6111 301.7830       
165.0250 143.3529       133.1191 34.14190 10.49735 25.50643 9.416080 8.635469 
14.10166 
1 1 1 -19 16  15 o 25.10159 6.775333  126.0063       95.69907 174.7633       
161.7788 99.76144       118.6930 27.52930 10.33669 22.67388 8.762047 4.855417 
13.55067 
1 1 1 -19 16  16 o 27.62886 7.077661  183.3737       104.5878 191.7401       
164.0190 177.6410       135.7717 28.16472 10.44100 27.09301 9.558167 1.071707 
14.15532 
1 1 1 -19 16  17 o 28.63498 6.535850  203.5933       93.59882 126.6948       
132.2974 280.6579       132.4402 24.22895 9.277847 33.04101 9.208196 -8.812059 
13.07170 
1 1 1 -19 16  18 o 33.12016 6.582254  285.4727       95.09772 300.7830       
140.1108 272.3951       129.4928 33.83133 9.485016 32.40900 9.129005 1.422333 
13.16451 
1 1 1 -19 16  19 o 49.10645 5.323281  588.3859       105.0476 510.3268       
154.9359 654.7985       142.9111 45.00354 8.510196 53.20937 6.397333 -8.205837 
10.64656 
1 1 1 -19 16  20 o 26.92926 6.701614  178.1361       97.94666 271.7465       
144.5234 98.61616       133.2030 31.42825 9.856332 22.43026 9.082910 8.997993 
13.40323 
1 1 1 -19 16  21 o 43.68688 5.965654  494.8761       106.0799 666.3379       
152.9313 335.8778       147.2681 52.71936 6.909511 34.65440 9.727014 18.06496 
11.93131 
1 1 1 -19 16  22 o 24.55506 6.398420  155.3344       90.21635 92.50430       
128.5733 216.2694       126.6195 21.39729 8.833391 27.71283 9.259068 -6.315536 
12.79684 
1 1 1 -19 16  23 o 48.90672 5.280207  604.7722       101.8514 423.0541       
136.5801 832.4290       152.8722 39.16880 8.542289 58.64464 6.208995 -19.47585 
10.56041 
1 1 1 -19 16  24 o 32.95413 8.083074  417.0648       158.4688 194.9190       
245.3398 576.0934       207.5805 25.20534 11.27187 40.70293 11.58833 -15.49759 
16.16615 
1 1 1 -19 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 17  2  o 28.41274 7.539466  177.0249       124.1413 120.6568       
184.5957 223.5674       167.7372 26.38882 10.68977 30.43666 10.63499 -4.047840 
15.07893 
1 1 1 -19 17  3  o 31.64412 7.096253  241.0551       104.5243 288.6617       
163.6610 208.2600       135.8365 33.86830 10.46214 29.41995 9.590143 4.448353 
14.19251 
1 1 1 -19 17  4  o 24.66247 6.832707  97.96761       102.9741 175.6066       
161.3907 44.65918       133.7324 28.08867 10.36816 21.23626 8.901952 6.852407 
13.66541 
1 1 1 -19 17  5  o 42.13463 6.145984  427.4671       103.7268 397.2953       
168.4853 445.8824       131.6288 39.82712 10.06598 44.44214 7.054678 -4.615017 
12.29197 
1 1 1 -19 17  6  o 34.30857 6.631678  268.6302       102.8502 440.1331       
161.1317 150.7129       133.6085 42.43113 9.299493 26.18600 9.457064 16.24513 
13.26336 
1 1 1 -19 17  7  o 36.16249 6.430678  337.8307       105.5259 177.7689       
169.1175 439.8864       135.0402 28.32542 10.58177 43.99956 7.310311 -15.67414 
12.86136 
1 1 1 -19 17  8  o 16.35011 5.383576  -102.0686      92.85385 -255.4762      
159.7289 -23.76558      114.1168 15.36948 7.504956 17.33073 7.720571 -1.961254 
10.76715 
1 1 1 -19 17  9  o 26.67270 6.594799  105.9718       94.53597 308.4247       
165.1704 7.339516       115.2868 34.80513 10.46235 18.54027 8.031480 16.26486 
13.18960 
1 1 1 -19 17  10 o 75.84583 4.198640  1267.678       122.3513 1303.936       
223.8031 1252.222       146.1201 75.76714 7.035681 75.92451 4.584047 
-0.1573639     8.397280 
1 1 1 -19 17  11 o 48.32775 5.306805  506.5716       103.2903 654.8843       
179.6702 433.3578       126.2360 52.96255 8.080316 43.69295 6.881657 9.269600 
10.61361 
1 1 1 -19 17  12 o 37.86314 6.852406  367.1366       108.4174 340.0792       
172.4846 384.8090       139.3973 36.06353 10.66037 39.66274 8.612680 -3.599205 
13.70481 
1 1 1 -19 17  13 o 52.37933 6.313772  738.7451       122.7045 428.6379       
195.9356 938.8406       157.3896 39.88366 11.22778 64.87500 5.778560 -24.99134 
12.62754 
1 1 1 -19 17  14 o 24.94132 6.912451  126.9527       104.5591 129.9386       
161.0204 124.7758       137.4897 25.41690 10.10456 24.46574 9.435350 0.9511528 
13.82490 
1 1 1 -19 17  15 o 24.74273 6.815673  128.5586       102.6865 90.43107       
160.1973 155.1506       133.7864 23.69287 9.825271 25.79259 9.448685 -2.099720 
13.63135 
1 1 1 -19 17  16 o 41.00619 6.446760  453.1817       111.6581 284.4908       
172.8296 574.0353       146.2858 32.34968 10.81748 49.66270 7.016055 -17.31302 
12.89352 
1 1 1 -19 17  17 o 19.84859 5.785709  48.06634       81.12648 101.0832       
111.3687 -11.87225      118.4157 22.08553 8.497187 17.61166 7.854650 4.473864 
11.57142 
1 1 1 -19 17  18 o 40.06336 4.964924  384.4228       81.10366 353.7161       
117.6440 412.2354       111.9626 37.88183 7.664910 42.24490 6.312768 -4.363071 
9.929848 
1 1 1 -19 17  19 o 54.18278 4.207816  672.4680       95.40609 710.0646       
141.9765 641.5124       128.8289 55.43751 6.100054 52.92804 5.797604 2.509472 
8.415632 
1 1 1 -19 17  20 o 59.14550 4.032415  801.7855       99.57131 838.6915       
150.0551 772.7502       133.0956 60.13110 5.943916 58.15990 5.450812 1.971199 
8.064830 
1 1 1 -19 17  21 o 26.03673 6.584781  172.7907       99.86740 57.69365       
141.1392 288.1970       141.3287 20.52462 8.888713 31.54884 9.717415 -11.02423 
13.16956 
1 1 1 -19 17  22 o 44.61785 6.253207  549.1108       112.8421 595.6032       
165.1482 508.3971       154.5445 46.51426 8.777648 42.72144 8.908607 3.792828 
12.50641 
1 1 1 -19 17  23 f 21.05490 6.220043  98.07311       92.21739 128.9733       
133.9978 70.27003       127.1052 22.32582 9.083984 19.78398 8.499233 2.541842 
12.44009 
1 1 1 -19 18  1  o 26.71016 7.131964  127.8784       123.3722 -44.40826      
181.4525 275.9966       168.2446 20.80330 9.462889 32.61701 10.67302 -11.81371 
14.26393 
1 1 1 -19 18  2  o 33.83302 7.080525  285.2778       124.0381 84.30390       
179.4212 469.2588       171.6684 24.54996 10.30195 43.11607 9.716227 -18.56610 
14.16105 
1 1 1 -19 18  3  o 27.04910 8.012060  117.4093       147.6292 100.7755       
183.8011 147.6487       247.8213 25.33451 10.51627 28.76368 12.09052 -3.429161 
16.02412 
1 1 1 -19 18  4  o 26.72920 7.085584  158.4755       107.7440 146.8812       
158.0607 168.5391       147.2582 26.33220 10.12461 27.12619 9.915361 
-0.7939949     14.17117 
1 1 1 -19 18  5  o 48.85919 5.424805  548.4300       110.4857 589.3130       
168.5169 517.6062       146.3237 50.25189 7.987525 47.46650 7.342580 2.785393 
10.84961 
1 1 1 -19 18  6  o 60.72436 4.896132  842.7101       119.8643 823.4883       
196.8657 854.0339       151.1005 59.47241 7.884524 61.97631 5.807127 -2.503895 
9.792265 
1 1 1 -19 18  7  o 81.03910 3.741925  1446.783       126.3240 1226.273       
175.4301 1684.255       182.0521 74.38197 5.617688 87.69623 4.944653 -13.31425 
7.483850 
1 1 1 -19 18  8  o 51.01404 5.609509  636.1924       111.2764 495.4370       
171.0510 739.4688       146.5189 44.55016 9.433993 57.47792 6.071747 -12.92776 
11.21902 
1 1 1 -19 18  9  f 21.88412 6.541328  47.58314       101.3116 84.42451       
161.6156 23.73396       130.0325 23.81448 9.871753 19.95376 8.585126 3.860718 
13.08266 
1 1 1 -19 18  10 o 29.63625 6.861627  186.5352       104.3318 359.8971       
166.2984 74.00925       133.9793 37.12987 10.30872 22.14263 9.058585 14.98724 
13.72325 
1 1 1 -19 18  11 o 15.61881 5.325322  -172.4963      101.6932 -182.3248      
160.2607 -165.8713      131.5765 16.47006 7.920736 14.76756 7.120264 1.702499 
10.65064 
1 1 1 -19 18  12 o 41.88230 6.242503  418.2621       100.1449 491.9628       
180.0113 385.2277       120.5166 43.55419 10.04283 40.21041 7.417340 3.343784 
12.48501 
1 1 1 -19 18  13 o 20.19830 6.316821  4.777178       104.5838 11.76081       
160.1510 -0.4153683     138.0954 20.99724 9.271388 19.39936 8.581974 1.597874 
12.63364 
1 1 1 -19 18  14 o 22.64092 6.553840  79.29379       103.3210 -7.714798      
161.3804 139.7318       134.5008 20.38426 9.128212 24.89758 9.406754 -4.513321 
13.10768 
1 1 1 -19 18  15 o 24.69989 6.702630  88.82341       106.0038 263.1179       
164.1329 -35.90046      138.8444 31.19270 10.54180 18.20708 8.280789 12.98561 
13.40526 
1 1 1 -19 18  16 o 22.25864 6.220099  98.72753       85.81406 88.54959       
132.2318 106.1329       112.7920 22.18168 9.024398 22.33559 8.562638 
-0.1539154     12.44020 
1 1 1 -19 18  17 o 37.60738 6.947388  361.0596       109.0512 504.2616       
180.5720 278.8461       136.8194 42.99133 10.15406 32.22343 9.484722 10.76789 
13.89478 
1 1 1 -19 18  18 o 51.23614 4.868012  622.2239       104.2738 697.2289       
150.5039 552.9843       144.6040 54.45545 6.583054 48.01682 7.173116 6.438633 
9.736025 
1 1 1 -19 18  19 o 35.51871 6.567264  348.0514       99.45365 313.8124       
147.5378 376.5667       134.6425 33.28364 9.864587 37.75379 8.672126 -4.470146 
13.13453 
1 1 1 -19 18  20 o 69.10406 4.201084  1122.167       121.4194 1125.384       
179.3671 1119.446       164.9619 68.86103 6.204264 69.34710 5.665999 
-0.4860687     8.402168 
1 1 1 -19 18  21 o 65.79432 4.320815  1046.080       117.7968 881.4578       
167.3436 1207.770       165.8463 59.84593 6.660325 71.74271 5.506165 -11.89677 
8.641630 
1 1 1 -19 18  22 o 42.81034 5.714278  495.9731       98.92212 520.8541       
141.1042 471.9258       138.7202 44.07890 7.912063 41.54179 8.246888 2.537109 
11.42856 
1 1 1 -19 19  1  o 21.32289 6.714437  -32.83082      127.9467 -172.6497      
182.5022 102.3127       179.4250 17.89976 8.570313 24.74602 10.33849 -6.846262 
13.42887 
1 1 1 -19 19  2  o 28.28240 7.453229  192.4631       121.8471 123.6583       
178.1316 252.9652       167.0386 25.53381 10.44536 31.03099 10.63470 -5.497181 
14.90646 
1 1 1 -19 19  3  o 36.54031 7.070470  372.4622       116.9917 233.1339       
195.2045 450.5612       146.1479 30.24965 11.35516 42.83097 8.427726 -12.58132 
14.14094 
1 1 1 -19 19  4  o 25.32309 10.49059  111.9159       182.3362 0.000000       
0.000000 111.9159       182.3362 ?        ?        25.32309 10.49059 ? ? 
1 1 1 -19 19  5  o 25.73741 7.124560  124.3341       105.6607 210.0390       
187.7957 84.63676       127.8095 29.25999 11.09753 22.21483 8.937683 7.045160 
14.24912 
1 1 1 -19 19  6  o 32.57988 7.062061  279.3639       107.2864 232.2511       
162.6878 315.6203       142.7177 30.09681 10.47775 35.06296 9.471403 -4.966146 
14.12412 
1 1 1 -19 19  7  o 34.13865 6.966839  290.1682       104.7026 388.8921       
166.5870 225.7033       134.6143 38.47126 10.16138 29.80603 9.533818 8.665224 
13.93368 
1 1 1 -19 19  8  o 50.84539 5.837137  625.6583       119.0410 607.2849       
185.0362 638.6324       155.4909 49.14204 9.306711 52.54875 7.047966 -3.406708 
11.67427 
1 1 1 -19 19  9  o 23.40050 6.744569  86.49200       103.0559 146.0997       
162.8519 46.67724       133.0957 25.99530 10.21615 20.80570 8.808361 5.189604 
13.48914 
1 1 1 -19 19  10 o 30.69073 5.953369  232.1827       105.3691 -66.27938      
165.8887 434.0368       136.4241 19.14840 8.832305 42.23306 7.985035 -23.08465 
11.90674 
1 1 1 -19 19  11 o 20.22579 6.280096  -10.55800      102.3355 95.60606       
162.4733 -80.37325      131.7554 23.85249 9.893351 16.59908 7.738219 7.253410 
12.56019 
1 1 1 -19 19  12 o 43.03813 6.451993  471.1316       110.8205 478.4826       
177.1903 466.4087       142.0268 42.46845 10.07647 43.60782 8.060871 -1.139370 
12.90399 
1 1 1 -19 19  13 o 21.13031 6.370808  42.67395       103.2404 -44.26088      
161.5510 102.6865       134.2251 19.28549 8.821323 22.97512 9.194185 -3.689634 
12.74162 
1 1 1 -19 19  14 o 20.08959 6.180617  -39.61540      103.8191 145.0017       
160.2953 -173.0196      136.2604 25.42032 10.08937 14.75886 7.141762 10.66146 
12.36123 
1 1 1 -19 19  15 o 29.67791 7.118658  240.1718       106.7188 205.6507       
161.0601 267.1901       142.4871 27.97062 10.35093 31.38520 9.775454 -3.414579 
14.23732 
1 1 1 -19 19  16 o 78.02130 3.824340  1385.190       124.5279 1263.137       
179.5976 1498.200       172.8163 74.31583 5.756259 81.72677 5.036644 -7.410942 
7.648680 
1 1 1 -19 19  17 o 27.70546 6.972243  212.7069       104.9307 145.4067       
174.6884 250.6963       131.2463 25.14428 10.32462 30.26665 9.372884 -5.122375 
13.94449 
1 1 1 -19 19  18 o 28.96718 6.845782  235.3194       98.03055 269.9897       
143.5103 204.9894       134.2271 30.70106 9.846189 27.23329 9.513751 3.467766 
13.69156 
1 1 1 -19 19  19 o 38.80519 6.367151  413.4585       102.4229 508.1617       
150.7222 332.2039       139.6107 43.58490 8.541414 34.02547 9.444930 9.559425 
12.73430 
1 1 1 -19 19  20 o 49.26443 4.758826  600.4178       98.29467 639.1895       
140.5397 563.2898       137.5285 51.00385 6.563224 47.52502 6.892735 3.478828 
9.517652 
1 1 1 -19 19  21 o 34.06124 6.956738  359.7628       105.0247 374.4523       
150.5464 345.8358       146.5873 34.75145 9.860729 33.37103 9.815847 1.380424 
13.91348 
1 1 1 -19 20  1  o 28.28346 7.295651  160.9833       125.1735 374.8579       
190.0034 -3.020660      166.3830 36.03385 11.30137 20.53307 9.229579 15.50078 
14.59130 
1 1 1 -19 20  2  o 46.68931 6.493278  558.9792       119.5730 542.0514       
198.4922 568.6212       149.8052 44.35052 10.75563 49.02810 7.277846 -4.677586 
12.98656 
1 1 1 -19 20  3  o 32.95619 7.367110  305.5475       117.9034 223.4741       
191.9556 355.2701       149.4088 29.24321 11.18210 36.66917 9.594682 -7.425961 
14.73422 
1 1 1 -19 20  4  o 22.29533 6.808539  46.98662       115.6440 97.56957       
177.5208 9.695045       152.4237 24.25956 10.21676 20.33111 9.002364 3.928452 
13.61708 
1 1 1 -19 20  5  o 40.68523 7.151551  438.8228       121.0907 482.7773       
183.4504 404.8858       161.1961 42.27746 10.39454 39.09300 9.825084 3.184464 
14.30310 
1 1 1 -19 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -19 20  7  o 24.37731 6.786877  120.2506       107.4384 23.14915       
170.1262 184.6672       138.5661 21.61365 9.548092 27.14097 9.647835 -5.527319 
13.57375 
1 1 1 -19 20  8  o 21.71421 6.531097  55.50445       102.5942 86.45001       
160.9361 34.31920       133.1591 23.28605 9.763531 20.14239 8.677233 3.143660 
13.06219 
1 1 1 -19 20  9  o 27.20534 6.609805  127.1294       103.8359 358.8302       
165.4409 -23.46453      133.3776 36.21688 10.35639 18.19380 8.216033 18.02308 
13.21961 
1 1 1 -19 20  10 o 17.35131 5.724356  -146.4823      103.0034 43.47006       
162.1353 -275.0267      133.3773 21.77514 9.479959 12.92749 6.418985 8.847653 
11.44871 
1 1 1 -19 20  11 o 42.33871 6.543046  476.2491       112.7069 403.6714       
181.3508 521.9233       143.8643 37.81393 10.85263 46.86348 7.312055 -9.049545 
13.08609 
1 1 1 -19 20  12 o 43.93827 5.480883  463.1377       98.29420 545.3654       
150.9722 402.6342       129.5026 47.63448 7.549125 40.24207 7.948020 7.392410 
10.96177 
1 1 1 -19 20  13 o 57.25999 4.985270  793.5192       116.1382 674.2522       
176.6850 884.2541       154.1086 52.40587 8.030465 62.11411 5.909593 -9.708241 
9.970539 
1 1 1 -19 20  14 o 28.92064 7.198396  226.8583       107.5456 255.8701       
167.6166 206.5578       140.2113 30.06971 10.61890 27.77157 9.721444 2.298141 
14.39679 
1 1 1 -19 20  15 o 23.14815 6.769803  102.2984       106.8534 147.9550       
161.7582 66.95208       142.3268 24.99977 10.05623 21.29654 9.066047 3.703228 
13.53961 
1 1 1 -19 20  16 o 28.69599 7.133574  236.4180       107.1876 208.6584       
169.0185 255.0931       138.6307 27.32639 10.48009 30.06559 9.680865 -2.739197 
14.26715 
1 1 1 -19 20  17 o 33.01033 7.197424  325.2791       108.4695 320.5436       
180.9147 327.9368       135.5313 31.80296 11.05128 34.21771 9.223929 -2.414747 
14.39485 
1 1 1 -19 20  18 f 49.58243 4.929308  609.9822       102.3614 660.6394       
146.3362 561.4492       143.2354 51.86835 6.720019 47.29651 7.213437 4.571835 
9.858617 
1 1 1 -19 20  19 o 49.19785 4.941372  622.0191       94.32182 439.7842       
134.7684 796.9902       132.0553 40.15867 8.276313 58.23703 5.401044 -18.07836 
9.882744 
1 1 1 -19 20  20 o 64.34389 6.070043  1100.839       149.4102 1243.237       
274.4352 1040.852       178.1221 63.97581 10.21751 64.71198 6.556229 
-0.7361641     12.14009 
1 1 1 -19 21  1  o 17.51513 5.827365  -82.05824      107.5694 -131.3055      
178.0765 -53.76393      134.9787 17.89018 8.541684 17.14008 7.929210 0.7501049 
11.65473 
1 1 1 -19 21  2  o 40.21269 7.047111  436.1640       115.3622 488.1583       
190.3098 405.9597       145.0500 41.16764 10.85497 39.25775 8.989807 1.909889 
14.09422 
1 1 1 -19 21  3  o 49.18299 6.506252  528.8908       122.7341 973.9522       
235.1776 362.3040       143.8819 61.56129 9.099328 36.80468 9.302015 24.75661 
13.01250 
1 1 1 -19 21  4  o 26.71566 7.221984  181.5271       112.0990 172.3516       
176.9423 187.6790       144.8842 26.53305 10.57850 26.89828 9.834814 
-0.3652306     14.44397 
1 1 1 -19 21  5  o 19.46531 6.254759  -31.59178      113.5152 34.25949       
160.2821 -97.85979      160.7885 21.18420 9.322206 17.74641 8.341733 3.437790 
12.50952 
1 1 1 -19 21  6  o 44.69927 6.717808  542.7277       124.6140 391.4606       
183.5189 672.1435       169.7472 36.75316 11.02419 52.64539 7.680036 -15.89223 
13.43562 
1 1 1 -19 21  7  o 20.66976 6.460239  19.88792       109.8951 61.20623       
164.1942 -13.64062      147.9087 22.20266 9.600948 19.13686 8.646420 3.065802 
12.92048 
1 1 1 -19 21  8  f 28.27802 10.61788  214.5221       170.7009 214.5221       
170.7009 0.000000       0.000000 28.27802 10.61788 ?        ?        ? ? 
1 1 1 -19 21  9  o 31.22767 7.181931  264.3084       107.8463 334.4329       
165.4654 212.5170       142.2003 34.29465 10.50464 28.16068 9.796579 6.133972 
14.36386 
1 1 1 -19 21  10 o 50.01248 4.813571  589.8200       100.3250 606.9959       
151.8714 576.5216       133.6339 50.33409 7.186790 49.69087 6.405617 0.6432190 
9.627143 
1 1 1 -19 21  11 o 28.79026 7.263870  221.0803       108.6161 281.2493       
176.4089 184.3441       137.8419 31.05158 10.90103 26.52893 9.603266 4.522650 
14.52774 
1 1 1 -19 21  12 o 24.29811 6.727818  136.1136       105.8570 36.12948       
169.8528 199.6126       135.3601 21.37692 9.479485 27.21931 9.549531 -5.842386 
13.45564 
1 1 1 -19 21  13 o 48.85806 5.093646  569.2473       99.53538 760.3272       
152.1949 426.4375       131.5744 56.77416 6.385139 40.94196 7.937942 15.83221 
10.18729 
1 1 1 -19 21  14 o 35.95076 7.154993  375.2311       111.8587 375.5512       
173.3097 375.0026       146.4460 35.22366 10.74302 36.67787 9.453215 -1.454208 
14.30999 
1 1 1 -19 21  15 o 37.71983 6.774166  419.8566       110.3292 321.7226       
168.6426 493.2864       145.8793 32.17870 10.68564 43.26097 8.329130 -11.08228 
13.54833 
1 1 1 -19 21  16 o 42.09021 6.319386  499.8004       109.4641 410.7991       
164.7874 570.0887       146.4426 36.64431 10.29055 47.53611 7.337782 -10.89180 
12.63877 
1 1 1 -19 21  17 o 43.89609 6.611240  578.7600       115.8730 465.2405       
192.8336 642.9136       144.9632 36.97538 11.34309 50.81680 6.794717 -13.84142 
13.22248 
1 1 1 -19 21  18 o 31.45546 6.563793  332.0721       105.4334 162.6389       
187.8187 410.0307       127.4006 24.10210 10.34217 38.80883 8.085361 -14.70673 
13.12759 
1 1 1 -19 22  1  o 18.72131 6.103850  -16.37465      108.1450 -29.58984      
180.4922 -8.973282      135.0758 19.49881 9.077250 17.94382 8.162811 1.554987 
12.20770 
1 1 1 -19 22  2  o 23.75498 6.865773  109.2234       106.8892 237.9517       
177.9506 36.56148       133.6953 28.06512 10.75633 19.44483 8.535612 8.620293 
13.73155 
1 1 1 -19 22  3  o 29.79709 7.284139  265.1495       109.8585 243.7839       
191.3687 275.6516       134.1688 28.41072 11.09535 31.18346 9.440762 -2.772734 
14.56828 
1 1 1 -19 22  4  o 31.33596 7.322248  282.3846       113.9798 382.7796       
171.5714 203.0753       152.4934 35.70958 10.64882 26.96235 10.05305 8.747231 
14.64450 
1 1 1 -19 22  5  o 66.05238 5.393138  1018.606       144.7788 1453.096       
238.7634 765.9562       182.0698 76.82604 7.402533 55.27873 7.845143 21.54731 
10.78628 
1 1 1 -19 22  6  o 24.26286 6.960599  119.6320       115.0011 229.0071       
169.3056 25.94070       156.6975 28.20005 10.57720 20.32568 9.051114 7.874371 
13.92120 
1 1 1 -19 22  7  o 23.00674 6.828700  105.1864       110.9430 112.0632       
167.0637 99.76141       148.3860 23.48157 9.901258 22.53192 9.406895 0.9496517 
13.65740 
1 1 1 -19 22  8  o 20.13470 6.219036  20.26758       99.66692 119.5907       
156.0445 -48.17014      129.5302 23.47639 9.713927 16.79300 7.768219 6.683386 
12.43807 
1 1 1 -19 22  9  o 28.39072 6.451913  210.3039       96.93238 346.0730       
139.7235 84.33370       134.5870 35.35049 9.291849 21.43095 8.953786 13.91954 
12.90383 
1 1 1 -19 22  10 o 19.35554 6.144433  4.461866       102.1844 60.43360       
160.4390 -33.73904      132.5447 21.41092 9.374846 17.30017 7.945342 4.110756 
12.28887 
1 1 1 -19 22  11 o 17.63498 5.782369  -134.2071      101.1833 106.6964       
167.6513 -272.2336      126.9015 23.02164 9.821204 12.24831 6.106317 10.77332 
11.56474 
1 1 1 -19 22  12 o 29.63478 6.513776  258.1115       108.0276 57.48502       
168.6057 397.8246       140.7009 21.32805 9.452885 37.94151 8.964379 -16.61346 
13.02755 
1 1 1 -19 22  13 o 30.72466 6.645984  283.4584       115.5388 54.78812       
176.0559 456.4432       153.1263 21.28353 9.532488 40.16578 9.263267 -18.88224 
13.29197 
1 1 1 -19 22  14 o 17.80798 5.838987  -54.51239      104.7318 58.52007       
159.4333 -140.3122      138.9058 20.69469 9.179632 14.92127 7.218685 5.773424 
11.67797 
1 1 1 -19 22  15 o 17.57053 5.835371  -79.86194      107.4422 60.45503       
170.1833 -172.8546      138.5435 20.88672 9.363019 14.25433 6.967071 6.632394 
11.67074 
1 1 1 -19 22  16 o 14.47873 4.959970  -129.5849      91.92055 -152.1403      
143.0787 -113.7326      119.9491 14.83212 7.215380 14.12534 6.807605 0.7067804 
9.919939 
1 1 1 -19 23  1  o 35.04783 7.630270  388.6283       119.6463 523.2536       
200.2801 313.9219       149.1948 38.76795 11.49402 31.32771 10.03851 7.440241 
15.26054 
1 1 1 -19 23  2  o 22.23281 6.670343  117.1981       110.2567 50.27494       
182.6474 155.5670       138.2975 20.88519 9.498499 23.58044 9.367627 -2.695250 
13.34069 
1 1 1 -19 23  3  o 29.93108 7.467262  293.2208       116.2979 341.5716       
177.4192 256.7936       153.9967 31.56412 10.94633 28.29805 10.15962 3.266068 
14.93452 
1 1 1 -19 23  4  o 27.66238 7.024345  211.5102       109.8249 382.7589       
171.2671 91.91484       143.1256 34.11749 10.73554 21.20727 9.061665 12.91022 
14.04869 
1 1 1 -19 23  5  o 20.71613 6.507908  53.20435       115.7083 -12.85555      
167.9319 112.9124       159.6543 19.04920 8.824596 22.38306 9.567547 -3.333858 
13.01582 
1 1 1 -19 23  6  o 21.06767 6.558876  61.02497       114.0980 133.7501       
167.4314 -2.029788      155.9026 23.27793 9.868443 18.85742 8.642293 4.420517 
13.11775 
1 1 1 -19 23  7  o 18.95301 6.131486  -9.027987      111.2775 67.82745       
157.0765 -86.46088      157.6655 20.90198 9.211760 17.00405 8.094688 3.897930 
12.26297 
1 1 1 -19 23  8  o 23.91971 6.792171  147.5033       102.0526 210.7772       
163.5772 107.1809       130.5822 26.23105 10.25523 21.60837 8.908678 4.622683 
13.58434 
1 1 1 -19 23  9  o 35.51080 6.829762  366.0726       99.96656 417.6033       
176.8446 341.8741       121.1863 35.72796 10.84312 35.29364 8.307182 0.4343147 
13.65952 
1 1 1 -19 23  10 o 34.24554 7.045979  344.5078       104.9123 455.0629       
173.1148 280.3360       131.8914 37.89917 10.51642 30.59192 9.380207 7.307249 
14.09196 
1 1 1 -19 23  11 o 19.81826 8.443102  71.83659       123.6048 0.000000       
0.000000 71.83659       123.6048 ?        ?        19.81826 8.443102 ? ? 
1 1 1 -19 23  12 o 16.75562 5.662517  -70.34174      99.43257 -66.47867      
190.5622 -71.78698      116.5576 18.64079 8.884805 14.87045 7.022581 3.770339 
11.32503 
1 1 1 -19 23  13 o 14.62164 5.053431  -159.8031      99.71526 -221.8668      
168.9493 -126.6265      123.5245 15.15651 7.464777 14.08678 6.813643 1.069732 
10.10686 
1 1 1 -18 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -30 1  o 34.78890 3.838565  278.6802       52.08360 288.1122       
65.56901 262.5536       85.73669 36.23431 4.310222 33.34348 6.352976 2.890831 
7.677130 
1 1 1 -18 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -29 1  o 54.59720 2.756232  665.7195       61.00796 762.8835       
80.86291 537.3337       92.95117 59.63224 3.229902 49.56216 4.467100 10.07008 
5.512463 
1 1 1 -18 -29 2  o 45.69640 2.912273  449.6888       54.67760 429.1071       
69.79878 482.3800       87.96724 44.51067 3.735121 46.88211 4.469252 -2.371441 
5.824547 
1 1 1 -18 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 1  o 41.88546 3.383768  378.3447       58.16950 359.7270       
74.06226 408.3214       93.97770 40.70921 4.333365 43.06172 5.198218 -2.352509 
6.767535 
1 1 1 -18 -28 2  o 41.70852 3.429592  348.2933       57.33683 259.1752       
70.07859 528.7537       99.72254 34.34805 4.859643 49.06899 4.840690 -14.72095 
6.859185 
1 1 1 -18 -28 3  o 15.97345 4.536845  34.98664       46.66404 51.27132       
58.82181 7.336606       76.64725 16.62035 6.234413 15.32656 6.592719 1.293788 
9.073689 
1 1 1 -18 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 1  o 46.19378 3.409700  468.7531       63.56043 482.6249       
80.38309 445.6100       103.8265 47.35341 4.043286 45.03414 5.491454 2.319271 
6.819401 
1 1 1 -18 -27 2  o 24.55405 4.957244  147.5963       55.59448 181.5434       
69.47697 87.16799       92.69576 28.06128 6.069119 21.04681 7.839827 7.014471 
9.914489 
1 1 1 -18 -27 3  o 43.97683 3.369667  433.5039       59.09711 462.5213       
74.58547 384.5588       96.86801 46.31546 3.835742 41.63820 5.541273 4.677261 
6.739334 
1 1 1 -18 -27 4  o 69.08401 2.414551  1014.598       68.92409 967.2260       
89.00569 1085.556       108.9325 67.20766 3.154424 70.96035 3.656478 -3.752686 
4.829101 
1 1 1 -18 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -26 1  o 27.43739 6.132691  171.6317       81.82819 111.6201       
116.3356 230.3946       115.1190 23.73871 8.794680 31.13607 8.549456 -7.397362 
12.26538 
1 1 1 -18 -26 2  o 15.55620 4.965809  -36.54281      68.49859 -39.50697      
102.6004 -34.15916      92.00648 15.92505 7.197981 15.18735 6.842961 0.7377090 
9.931619 
1 1 1 -18 -26 3  o 43.45973 4.174117  416.0608       75.90287 373.0744       
103.4937 466.0952       111.6562 41.00132 6.012251 45.91815 5.791879 -4.916828 
8.348234 
1 1 1 -18 -26 4  o 38.49146 4.402872  335.2743       68.76531 401.0583       
99.85272 275.9312       94.83859 42.56959 5.587037 34.41332 6.806330 8.156265 
8.805743 
1 1 1 -18 -26 5  o 27.69173 5.723764  186.1141       68.76485 181.1423       
118.0429 188.6680       84.60231 27.27426 8.939985 28.10920 7.150004 
-0.8349400     11.44753 
1 1 1 -18 -26 6  o 60.74919 3.055824  774.0723       76.40942 1006.800       
122.5610 626.1042       97.72636 67.94275 4.296652 53.55563 4.346379 14.38712 
6.111647 
1 1 1 -18 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -25 1  o 34.00520 5.572780  272.0989       78.09058 230.7899       
116.6189 305.6786       105.1439 31.37486 8.600530 36.63553 7.089032 -5.260670 
11.14556 
1 1 1 -18 -25 2  o 55.91809 3.856413  725.9699       84.05677 491.9258       
129.9212 894.4692       110.2377 47.20001 6.556304 64.63618 4.062333 -17.43617 
7.712825 
1 1 1 -18 -25 3  o 33.88377 5.168534  267.5457       71.19431 254.7141       
105.4622 278.2893       96.50141 32.94021 7.747138 34.82734 6.843744 -1.887131 
10.33707 
1 1 1 -18 -25 4  f 71.58756 3.090568  1107.419       88.99437 1102.331       
148.4264 1110.274       111.1998 71.17041 4.967442 72.00471 3.678444 
-0.8343048     6.181135 
1 1 1 -18 -25 5  o 49.08502 3.437272  522.1625       70.06750 547.9355       
108.2885 503.6012       91.89758 50.00418 5.158188 48.16586 4.544497 1.838326 
6.874545 
1 1 1 -18 -25 6  o 51.32370 3.487207  572.0086       71.34899 595.5889       
122.4947 559.9009       87.77579 51.78254 5.634495 50.86485 4.110343 0.9176941 
6.974414 
1 1 1 -18 -25 7  o 28.03332 4.833024  182.1452       57.72185 259.5366       
86.74280 120.6417       77.32805 33.34817 6.424871 22.71847 7.221738 10.62970 
9.666047 
1 1 1 -18 -25 8  o 14.90483 4.649031  -8.783325      56.54301 -0.3683399     
85.13358 -15.42519      75.63439 15.65128 6.841183 14.15839 6.296998 1.492890 
9.298062 
1 1 1 -18 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -24 1  o 25.82896 5.813483  145.7901       70.06168 133.3973       
91.49433 163.3584       108.9370 24.62570 7.858220 27.03223 8.569406 -2.406532 
11.62697 
1 1 1 -18 -24 2  o 33.87979 4.681162  259.1357       64.77261 167.2061       
89.85423 358.5842       93.45656 27.03435 7.601069 40.72522 5.465972 -13.69087 
9.362324 
1 1 1 -18 -24 3  o 31.30666 5.418476  230.3945       69.46818 208.9834       
112.9873 243.4075       88.08399 29.89033 8.562220 32.72300 6.642885 -2.832678 
10.83695 
1 1 1 -18 -24 4  o 27.07942 5.523853  169.9914       66.36790 185.3625       
94.83936 155.2404       92.90723 28.18750 7.768840 25.97133 7.854739 2.216169 
11.04771 
1 1 1 -18 -24 5  o 21.18266 5.351955  88.90143       62.76950 39.74816       
94.36557 127.9085       84.06381 18.63290 7.609155 23.73242 7.528244 -5.099522 
10.70391 
1 1 1 -18 -24 6  o 40.65024 4.886072  392.3625       75.24126 334.0700       
127.8529 423.2473       93.06298 37.27026 8.375539 44.03021 5.034395 -6.759953 
9.772143 
1 1 1 -18 -24 7  o 46.04471 3.702041  466.4391       70.31241 466.7874       
109.9614 466.1982       91.45129 45.85784 5.711467 46.23158 4.711641 
-0.3737373     7.404081 
1 1 1 -18 -24 8  o 51.58283 3.602036  585.7061       77.54387 599.1381       
116.6331 575.0651       103.8107 51.98594 5.343882 51.17973 4.831312 0.8062134 
7.204072 
1 1 1 -18 -24 9  o 38.38548 4.584009  350.2620       69.83726 291.7958       
106.4890 394.3852       92.50943 34.66748 7.527510 42.10347 5.233463 -7.435997 
9.168017 
1 1 1 -18 -24 10 o 19.54186 5.029126  55.51416       63.10853 -50.76346      
91.56700 151.6720       87.09845 14.22646 6.562013 24.85727 7.622889 -10.63081 
10.05825 
1 1 1 -18 -24 11 o 27.62881 5.274836  196.5014       64.30738 143.4961       
98.73372 235.5543       84.74857 24.06766 8.176165 31.18997 6.666775 -7.122311 
10.54967 
1 1 1 -18 -24 12 o 33.95097 4.663347  281.3456       64.25713 261.2276       
97.85717 296.5956       85.19878 32.09763 7.406929 35.80433 5.667858 -3.706699 
9.326694 
1 1 1 -18 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -23 1  o 20.19951 5.544816  46.59244       74.28393 113.8794       
93.05814 -71.59023      123.3292 23.41992 7.937689 16.97910 7.744225 6.440821 
11.08963 
1 1 1 -18 -23 2  o 41.97968 3.785651  373.2558       66.14540 421.4162       
102.0659 338.3825       86.85232 44.25471 5.493414 39.70465 5.210280 4.550060 
7.571302 
1 1 1 -18 -23 3  o 43.94095 3.566260  418.0231       65.11852 388.3690       
97.08569 442.2741       87.79639 42.42816 5.450321 45.45374 4.600744 -3.025581 
7.132520 
1 1 1 -18 -23 4  o 27.97848 5.459002  178.6416       71.93147 81.19169       
103.6987 269.0151       99.86264 21.65195 8.236405 34.30500 7.166898 -12.65305 
10.91800 
1 1 1 -18 -23 5  o 21.82492 5.607340  88.51887       66.21147 124.7717       
103.1078 63.07871       86.37341 24.13589 8.347210 19.51396 7.489534 4.621927 
11.21468 
1 1 1 -18 -23 6  o 86.34904 3.103974  1605.929       110.2606 1604.651       
173.9952 1606.787       142.5329 86.09953 4.813463 86.59856 3.920357 
-0.4990234     6.207948 
1 1 1 -18 -23 7  f 27.28585 5.647647  183.1407       70.61881 116.2009       
119.1916 219.3494       87.66166 23.89956 8.892438 30.67214 6.964783 -6.772572 
11.29529 
1 1 1 -18 -23 8  o 23.33808 5.217208  119.8973       63.04348 40.38333       
92.05685 190.1256       86.51488 18.35204 7.508473 28.32413 7.245679 -9.972084 
10.43442 
1 1 1 -18 -23 9  o 12.57389 4.258847  -118.8578      65.13434 -77.08039      
90.77094 -163.2024      93.51822 13.48967 6.325635 11.65811 5.704161 1.831565 
8.517694 
1 1 1 -18 -23 10 o 28.91685 5.434672  193.9632       67.78997 281.6700       
106.9037 134.9760       87.67081 34.00585 7.670312 23.82786 7.701232 10.17799 
10.86934 
1 1 1 -18 -23 11 o 15.15855 4.666205  -71.20036      63.36876 75.95523       
94.66454 -190.6797      85.29929 20.02676 7.807250 10.29035 5.112803 9.736404 
9.332411 
1 1 1 -18 -23 12 o 28.74853 5.516193  216.4408       71.08782 145.4794       
109.5296 268.0883       93.44265 24.29997 8.583685 33.19709 6.930649 -8.897118 
11.03239 
1 1 1 -18 -23 13 o 16.73285 5.140005  -12.14993      70.30828 79.41026       
106.1840 -83.63129      93.82147 20.23009 8.143482 13.23562 6.273939 6.994469 
10.28001 
1 1 1 -18 -23 14 o 11.62564 4.015506  -137.6927      64.41978 -111.5519      
94.28580 -160.5796      88.22279 12.38591 5.984360 10.86537 5.355800 1.520542 
8.031012 
1 1 1 -18 -23 15 o 18.52659 5.352851  53.15679       69.09628 126.5248       
101.9668 -9.138199      93.95761 21.87095 8.207480 15.18223 6.873813 6.688716 
10.70570 
1 1 1 -18 -22 1  o 41.33064 6.043340  233.7344       92.23497 117.3326       
101.9997 755.8468       216.0236 24.07100 8.304408 58.59029 8.782063 -34.51928 
12.08668 
1 1 1 -18 -22 2  o 43.01545 3.549655  401.5244       62.46236 363.3918       
97.27731 428.2762       81.47807 41.15406 5.630149 44.87684 4.324536 -3.722782 
7.099309 
1 1 1 -18 -22 3  f 67.06057 3.003318  976.0175       82.26682 861.9080       
127.6058 1057.178       107.6171 63.51554 4.785326 70.60561 3.630474 -7.090069 
6.006637 
1 1 1 -18 -22 4  o 65.47571 2.675152  908.2830       72.72269 931.1302       
112.0482 891.6541       95.59185 66.12858 4.035868 64.82283 3.512480 1.305748 
5.350304 
1 1 1 -18 -22 5  o 16.56344 5.000811  5.577129       61.37576 20.92920       
80.65564 -15.54181      94.59915 16.79837 6.969235 16.32851 7.173716 0.4698601 
10.00162 
1 1 1 -18 -22 6  f 46.98036 3.940165  484.6293       75.84035 454.7167       
118.8128 505.1979       98.52306 45.54858 6.213113 48.41214 4.847353 -2.863556 
7.880331 
1 1 1 -18 -22 7  o 75.03912 3.688988  1253.370       107.8373 1137.376       
186.5429 1311.588       132.1572 71.84968 6.184077 78.22855 4.023895 -6.378876 
7.377976 
1 1 1 -18 -22 8  o 19.39254 5.447948  51.88856       66.24827 79.80619       
100.3801 30.34492       88.17955 21.10431 8.081501 17.68077 7.308206 3.423544 
10.89590 
1 1 1 -18 -22 9  o 28.44748 5.395983  196.8393       67.49481 141.9203       
101.3194 240.6542       90.49864 24.82504 8.282535 32.06992 6.918537 -7.244881 
10.79197 
1 1 1 -18 -22 10 o 32.77030 5.631929  260.5255       77.55873 320.2092       
111.4504 204.4799       108.0001 36.65205 7.501504 28.88856 8.402495 7.763487 
11.26386 
1 1 1 -18 -22 11 o 19.10436 5.254427  26.50644       71.65268 -102.3422      
105.1149 138.3438       97.93050 14.01856 6.643057 24.19015 8.142839 -10.17159 
10.50885 
1 1 1 -18 -22 12 o 18.14552 5.257323  23.28384       70.13528 -68.31390      
103.3360 101.5157       95.49946 14.70129 6.853316 21.58976 7.974323 -6.888469 
10.51465 
1 1 1 -18 -22 13 o 40.48727 4.585476  377.5348       77.01109 416.6363       
120.4031 350.4633       100.1837 42.01711 6.825470 38.95744 6.125303 3.059669 
9.170953 
1 1 1 -18 -22 14 o 28.02767 5.948363  210.1043       75.53085 193.4851       
118.8469 221.3650       97.82829 26.80060 8.970381 29.25475 7.814369 -2.454147 
11.89673 
1 1 1 -18 -22 15 o 46.84263 4.112490  516.4160       77.51274 534.8819       
129.4451 506.0933       96.78292 46.71336 6.600330 46.97190 4.907742 
-0.2585335     8.224979 
1 1 1 -18 -22 16 o 29.04171 5.654335  229.7622       68.41669 249.1466       
119.6858 220.3535       83.38339 28.99656 8.944726 29.08687 6.919387 
-0.9030342E-01 11.30867 
1 1 1 -18 -21 1  o 46.57071 6.003058  474.5559       114.0286 385.5345       
152.9018 586.1068       171.1600 41.17665 9.088274 51.96477 7.845387 -10.78812 
12.00612 
1 1 1 -18 -21 2  o 32.90910 6.719833  242.3150       96.59915 265.9407       
152.5343 226.4948       124.8195 34.18182 9.999801 31.63639 8.979342 2.545433 
13.43967 
1 1 1 -18 -21 3  o 51.63527 3.534022  570.7289       75.78467 469.2229       
105.7532 677.8863       108.6572 46.83383 5.378423 56.43671 4.585828 -9.602879 
7.068045 
1 1 1 -18 -21 4  o 15.75543 4.721969  -22.41251      57.13807 55.07929       
87.84531 -79.23862      75.22543 19.38254 7.528041 12.12832 5.702330 7.254226 
9.443938 
1 1 1 -18 -21 5  o 106.7359 2.638986  2447.339       115.7601 2267.421       
179.3912 2575.713       151.5315 103.1937 4.140656 110.2782 3.272912 -7.084473 
5.277971 
1 1 1 -18 -21 6  f 83.17381 2.584117  1501.461       87.19586 1336.837       
138.1313 1610.518       112.4271 79.14986 4.156839 87.19778 3.071049 -8.047920 
5.168235 
1 1 1 -18 -21 7  o 23.95666 5.733030  98.84016       72.28094 207.1378       
115.1117 28.34524       92.87289 29.79677 8.677331 18.11654 7.494962 11.68023 
11.46606 
1 1 1 -18 -21 8  o 88.37962 4.140214  1678.742       128.6583 1769.611       
271.3952 1652.401       146.1210 88.90132 7.271349 87.85793 3.961438 1.043396 
8.280429 
1 1 1 -18 -21 9  o 22.04611 5.669026  98.05443       67.79015 102.4032       
100.5018 94.42417       91.82433 22.47096 8.193542 21.62126 7.836919 0.8497047 
11.33805 
1 1 1 -18 -21 10 o 20.62667 5.611108  69.23840       71.83467 11.02482       
105.8988 118.8550       97.76694 18.00163 7.746426 23.25172 8.119791 -5.250082 
11.22222 
1 1 1 -18 -21 11 o 60.01563 3.667657  783.9383       91.07082 851.6856       
143.5672 738.3217       117.8069 61.96998 5.518170 58.06128 4.832870 3.908703 
7.335314 
1 1 1 -18 -21 12 f 21.55057 5.366623  93.09045       70.17975 -36.28869      
115.7362 168.3257       88.25671 16.75660 7.604868 26.34454 7.574205 -9.587944 
10.73325 
1 1 1 -18 -21 13 f 23.45467 5.592881  131.3861       64.92148 123.5248       
101.8896 136.7591       84.23491 23.11493 8.267397 23.79441 7.534681 
-0.6794777     11.18576 
1 1 1 -18 -21 14 o 41.30180 4.719261  414.2850       75.31529 364.6563       
122.8861 444.1424       95.31524 38.12465 7.939312 44.47894 5.104215 -6.354290 
9.438521 
1 1 1 -18 -21 15 o 45.41177 4.663678  472.5315       84.31992 556.0042       
148.2359 432.6044       102.5216 47.52884 7.428774 43.29470 5.640291 4.234131 
9.327356 
1 1 1 -18 -21 16 o 21.47977 5.883004  113.3017       75.28867 105.3210       
117.3571 118.8836       98.14792 21.28289 8.563725 21.67665 8.068555 
-0.3937645     11.76601 
1 1 1 -18 -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -20 2  o 126.1527 5.250552  3394.133       274.4673 3700.222       
430.6796 3184.802       356.1620 130.6730 7.850360 121.6324 6.974600 9.040550 
10.50110 
1 1 1 -18 -20 3  o 42.12173 5.902801  427.8938       98.25106 269.9648       
156.5056 530.6198       126.2233 34.48316 10.14234 49.76029 6.041956 -15.27713 
11.80560 
1 1 1 -18 -20 4  o 32.71311 6.366421  239.0860       87.34821 259.1046       
147.2037 228.2068       108.5179 33.70700 9.811538 31.71923 8.115355 1.987774 
12.73284 
1 1 1 -18 -20 5  o 26.68396 5.376495  158.6191       63.52266 132.6814       
87.91331 186.9549       91.88765 24.62389 7.680300 28.74403 7.525941 -4.120146 
10.75299 
1 1 1 -18 -20 6  o 35.83487 3.985797  274.8843       58.16202 331.5559       
89.07757 232.7687       76.79042 39.28376 5.401028 32.38599 5.863037 6.897766 
7.971593 
1 1 1 -18 -20 7  o 92.66818 2.577012  1825.692       98.66904 1820.082       
153.6331 1829.630       128.7259 92.44558 3.958401 92.89079 3.300762 
-0.4452057     5.154025 
1 1 1 -18 -20 8  o 36.31953 4.482873  301.4628       65.05753 370.7021       
89.56648 224.1331       94.65473 41.43667 5.148512 31.20238 7.340126 10.23429 
8.965747 
1 1 1 -18 -20 9  o 63.57161 3.293561  846.3667       85.94627 989.0673       
140.4810 761.0020       108.6535 67.62530 4.947997 59.51792 4.348275 8.107380 
6.587121 
1 1 1 -18 -20 10 o 25.73109 5.519300  141.8465       65.18346 215.6038       
104.8854 95.43307       83.20210 30.12435 8.111583 21.33782 7.486851 8.786528 
11.03860 
1 1 1 -18 -20 11 o 28.54161 5.451261  201.5314       69.20240 131.2117       
108.8963 249.1674       89.62766 24.33159 8.562475 32.75164 6.749000 -8.420050 
10.90252 
1 1 1 -18 -20 12 o 42.70194 4.808975  445.4394       77.06569 338.4361       
127.1102 507.6347       96.90831 37.24074 8.338847 48.16315 4.792556 -10.92241 
9.617950 
1 1 1 -18 -20 13 o 25.50462 5.825336  144.3371       73.14918 229.9550       
113.8009 84.05646       95.48890 30.29322 8.566090 20.71602 7.896850 9.577192 
11.65067 
1 1 1 -18 -20 14 o 62.99732 3.854744  925.7816       96.90894 650.3602       
142.4358 1163.156       132.2322 53.15350 6.382758 72.84114 4.323959 -19.68764 
7.709489 
1 1 1 -18 -20 15 o 43.68159 5.096723  459.3314       90.82030 453.1427       
121.5951 467.1402       136.5867 43.97213 6.586572 43.39105 7.779680 0.5810852 
10.19345 
1 1 1 -18 -20 16 o 30.33811 6.831869  246.6675       100.9807 372.7193       
156.1850 156.1276       132.3686 36.02951 9.986130 24.64671 9.326036 11.38279 
13.66374 
1 1 1 -18 -20 17 o 18.31236 5.960305  -6.396687      102.5868 25.11519       
123.2234 -77.56341      185.1802 18.20391 8.073059 18.42081 8.770783 
-0.2168999     11.92061 
1 1 1 -18 -19 1  o 43.41766 10.92901  430.3233       199.2206 0.000000       
0.000000 430.3233       199.2206 ?        ?        43.41766 10.92901 ? ? 
1 1 1 -18 -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -19 4  o 54.86119 6.357939  665.3133       137.1810 655.4718       
171.6219 682.7271       228.2910 55.04517 7.426337 54.67720 10.32197 0.3679695 
12.71588 
1 1 1 -18 -19 5  o 70.72855 4.244694  1082.308       119.0864 1044.657       
202.9740 1102.071       147.0568 69.52113 6.954161 71.93597 4.869226 -2.414848 
8.489388 
1 1 1 -18 -19 6  o 19.52627 5.965558  -2.056939      88.00666 -11.81315      
139.7318 4.357731       113.3031 20.20730 8.799079 18.84525 8.057774 1.362053 
11.93112 
1 1 1 -18 -19 7  o 46.73867 5.428472  512.1200       97.65557 390.7850       
155.3855 591.3315       125.5485 41.06622 9.236784 52.41113 5.705702 -11.34491 
10.85694 
1 1 1 -18 -19 8  o 56.84880 4.394301  690.5547       100.2050 742.3373       
171.2017 663.5709       123.5857 58.18003 7.008985 55.51758 5.302234 2.662449 
8.788603 
1 1 1 -18 -19 9  o 18.55243 5.668557  0.8674178      80.83048 0.2227568      
114.5399 1.506962       114.0846 18.54465 8.019007 18.56020 8.014093 
-0.1554871E-01 11.33711 
1 1 1 -18 -19 10 o 28.03785 6.046733  184.5617       82.52719 99.00526       
126.0860 248.6869       109.1578 23.53254 9.044009 32.54316 8.028562 -9.010616 
12.09347 
1 1 1 -18 -19 11 o 22.87735 6.422287  81.49194       94.45186 16.14485       
148.1144 126.2783       122.6188 21.09472 9.120242 24.65998 9.044570 -3.565266 
12.84457 
1 1 1 -18 -19 12 o 57.12363 4.419319  709.2496       104.0807 833.2985       
167.6086 631.3930       132.7846 60.90997 6.554338 53.33730 5.929770 7.572674 
8.838638 
1 1 1 -18 -19 13 o 28.39130 7.552785  185.6736       119.7543 173.2860       
151.7009 206.1590       195.0821 27.30936 10.05586 29.47323 11.27200 -2.163864 
15.10557 
1 1 1 -18 -19 14 o 38.70310 10.14817  396.1008       166.9218 396.1008       
166.9218 0.000000       0.000000 38.70310 10.14817 ?        ?        ? ? 
1 1 1 -18 -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -19 16 o 30.73802 8.934407  250.4474       122.1467 0.000000       
0.000000 250.4474       122.1467 ?        ?        30.73802 8.934407 ? ? 
1 1 1 -18 -19 17 o 19.69969 6.140242  24.23425       94.88148 87.16110       
159.3019 -10.36192      118.1182 22.25623 9.536559 17.14316 7.737203 5.113070 
12.28048 
1 1 1 -18 -19 18 o 17.96492 5.601370  20.21481       84.02138 73.37080       
120.6494 -29.84197      117.0794 19.83996 8.392297 16.08987 7.420966 3.750090 
11.20274 
1 1 1 -18 -18 1  o 49.89584 6.539631  527.0704       132.3236 403.3705       
171.2292 710.4694       208.4932 42.34073 9.815705 57.45095 8.644018 -15.11022 
13.07926 
1 1 1 -18 -18 2  o 49.13044 7.593432  554.8772       151.7752 612.2879       
194.2486 464.8918       243.1910 53.24803 8.689112 45.01286 12.45553 8.235172 
15.18686 
1 1 1 -18 -18 3  o 20.66981 8.748431  11.69279       131.2318 0.000000       
0.000000 11.69279       131.2318 ?        ?        20.66981 8.748431 ? ? 
1 1 1 -18 -18 4  o 78.95922 5.942688  1331.036       196.9993 0.000000       
0.000000 1331.036       196.9993 ?        ?        78.95922 5.942688 ? ? 
1 1 1 -18 -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -18 11 o 57.28448 8.779966  754.2119       211.1586 0.000000       
0.000000 754.2119       211.1586 ?        ?        57.28448 8.779966 ? ? 
1 1 1 -18 -18 12 o 79.52695 4.794880  1371.215       160.0925 0.000000       
0.000000 1371.215       160.0925 ?        ?        79.52695 4.794880 ? ? 
1 1 1 -18 -18 13 o 28.41441 6.643498  195.2541       91.78128 168.5827       
149.5429 211.3722       116.2518 27.32150 9.991473 29.50732 8.758696 -2.185818 
13.28700 
1 1 1 -18 -18 14 o 50.69819 5.311938  604.1876       103.6101 591.8331       
176.3584 610.6994       128.0361 49.10643 8.879851 52.28996 5.832236 -3.183529 
10.62388 
1 1 1 -18 -18 15 o 29.79341 6.421913  233.3858       90.63201 157.8333       
149.3948 277.3856       114.0082 26.14942 9.903860 33.43739 8.177861 -7.287970 
12.84383 
1 1 1 -18 -18 16 o 22.30730 6.535440  82.58668       98.78231 84.29130       
156.7628 81.46404       127.2177 22.93621 9.627360 21.67840 8.840919 1.257813 
13.07088 
1 1 1 -18 -18 17 o 23.19572 6.418588  101.6026       102.6709 -57.31359      
163.8499 204.3402       131.7427 18.73854 8.694480 27.65289 9.444527 -8.914352 
12.83718 
1 1 1 -18 -18 18 o 27.71371 7.207450  217.5290       108.0720 267.0989       
173.4087 186.0487       138.1914 29.48139 10.76141 25.94602 9.590697 3.535378 
14.41490 
1 1 1 -18 -18 19 o 24.99200 6.699400  184.4680       97.54766 158.4331       
143.5490 206.8053       132.9647 23.77946 9.511450 26.20454 9.437170 -2.425085 
13.39880 
1 1 1 -18 -17 1  o 27.48546 7.794023  69.79415       130.0918 29.58396       
158.0187 154.3716       229.1752 23.31632 9.719162 31.65461 12.18709 -8.338284 
15.58805 
1 1 1 -18 -17 2  f 40.18377 8.448778  335.8873       153.3776 234.0795       
196.4541 494.8171       245.4557 33.79485 11.53314 46.57268 12.34966 -12.77783 
16.89756 
1 1 1 -18 -17 3  o 113.8007 4.532450  2759.781       213.7434 2756.026       
329.5591 2762.508       280.8157 113.5977 6.910107 114.0038 5.867098 
-0.4060516     9.064900 
1 1 1 -18 -17 4  o 81.51759 4.099257  1409.393       139.3117 1454.558       
211.1968 1374.604       185.3557 82.61212 6.089263 80.42307 5.489673 2.189056 
8.198514 
1 1 1 -18 -17 5  o 39.49032 6.285347  360.4002       102.2096 275.4729       
163.0537 415.3714       131.1821 35.01640 10.36874 43.96424 7.107158 -8.947838 
12.57069 
1 1 1 -18 -17 6  o 23.03921 6.437833  70.82272       91.65515 56.09255       
142.8184 81.13775       119.5130 23.15105 9.392580 22.92737 8.806941 0.2236805 
12.87567 
1 1 1 -18 -17 7  o 148.6159 4.565195  4783.950       268.1842 4647.774       
460.9444 4853.635       329.7396 146.3799 7.500464 150.8519 5.206444 -4.472046 
9.130390 
1 1 1 -18 -17 8  o 112.7384 4.122092  2767.740       177.7049 2630.335       
322.4802 2827.661       212.9560 110.1597 6.972706 115.3170 4.398631 -5.157295 
8.244184 
1 1 1 -18 -17 9  o 22.16924 6.184208  69.68383       83.85945 63.87713       
132.3465 73.57912       108.3971 22.64080 9.100788 21.69768 8.375762 0.9431152 
12.36842 
1 1 1 -18 -17 10 o 60.31448 4.244545  802.9197       103.7254 726.2114       
165.3165 852.7249       133.2086 57.61243 6.834726 63.01654 5.034994 -5.404114 
8.489090 
1 1 1 -18 -17 11 o 70.23106 4.030226  1051.806       110.5783 1125.333       
198.8860 1018.908       133.0360 71.56516 6.619476 68.89696 4.599286 2.668198 
8.060452 
1 1 1 -18 -17 12 o 46.48173 4.354249  476.4555       83.58585 465.5234       
129.3616 484.2909       109.5177 45.82096 6.724533 47.14249 5.533408 -1.321533 
8.708498 
1 1 1 -18 -17 13 o 24.78971 6.521947  79.13281       90.53555 241.9227       
160.7511 3.508294       109.5649 31.50505 10.43263 18.07437 7.829645 13.43068 
13.04389 
1 1 1 -18 -17 14 o 63.40793 4.533649  833.4264       113.7661 1120.041       
207.1894 709.7111       136.1226 70.20220 7.029717 56.61366 5.727039 13.58854 
9.067299 
1 1 1 -18 -17 15 o 27.61420 6.831916  178.0963       96.83826 228.6375       
151.4944 143.1770       125.9236 30.05673 10.12780 25.17168 9.172128 4.885044 
13.66383 
1 1 1 -18 -17 16 o 27.00575 6.839546  180.1983       99.65481 134.8456       
156.1196 211.3848       129.4608 25.21544 9.973138 28.79607 9.362375 -3.580635 
13.67909 
1 1 1 -18 -17 17 o 26.24694 6.890321  167.6988       99.97570 197.4780       
155.0965 146.5288       130.7697 27.64940 10.16907 24.84448 9.300333 2.804920 
13.78064 
1 1 1 -18 -17 18 f 23.32757 6.799286  111.1903       107.5784 101.1410       
161.8989 119.1354       143.9547 23.22349 9.767531 23.43165 9.461317 
-0.2081528     13.59857 
1 1 1 -18 -17 19 o 41.96394 6.670224  446.5564       117.9463 780.4963       
201.2647 271.8865       145.5601 53.79506 8.911406 30.13280 9.927458 23.66226 
13.34045 
1 1 1 -18 -17 20 o 19.41448 5.964975  58.95259       90.54768 44.78279       
127.9330 73.17602       128.1748 18.89914 8.322523 19.92983 8.547475 -1.030693 
11.92995 
1 1 1 -18 -16 1  o 66.74135 6.076771  958.5181       168.4007 986.0305       
224.2469 922.9371       255.0188 67.95444 7.860128 65.52826 9.269679 2.426186 
12.15354 
1 1 1 -18 -16 2  o 128.7361 6.013206  3552.785       324.8695 3572.762       
453.8169 3531.786       465.2668 129.1489 8.369722 128.3232 8.636106 0.8256989 
12.02641 
1 1 1 -18 -16 3  o 32.24077 7.180300  223.9237       110.1876 172.4579       
162.6433 267.5851       149.8047 29.78042 10.46591 34.70112 9.833193 -4.920700 
14.36060 
1 1 1 -18 -16 4  o 144.7466 5.574828  4496.325       299.6479 4490.667       
577.8522 4498.405       350.4471 143.9506 9.561464 145.5427 5.735260 -1.592133 
11.14966 
1 1 1 -18 -16 5  o 91.59547 4.286072  1800.867       155.6458 1744.765       
266.0565 1830.057       191.9122 90.27403 7.019920 92.91690 4.919592 -2.642868 
8.572145 
1 1 1 -18 -16 6  o 31.83632 6.318740  238.1846       88.47619 151.0720       
155.1298 280.1819       107.7124 28.23663 10.19102 35.43601 7.473214 -7.199383 
12.63748 
1 1 1 -18 -16 7  o 19.00245 5.910799  -20.83585      88.78848 -125.3095      
164.6712 21.98625       105.4262 18.90460 8.750288 19.10029 7.948750 
-0.1956921     11.82160 
1 1 1 -18 -16 8  o 53.84708 4.579518  623.4514       101.9064 625.4708       
158.7252 622.0354       132.9192 53.80581 7.026477 53.88835 5.875080 
-0.8253860E-01 9.159036 
1 1 1 -18 -16 9  o 73.77818 4.292642  1124.493       115.4949 1267.034       
235.6212 1079.413       132.5051 76.31636 7.353900 71.23999 4.430266 5.076370 
8.585284 
1 1 1 -18 -16 10 o 75.22739 3.506948  1218.866       108.5262 1166.725       
169.3122 1255.229       141.3920 73.69910 5.472015 76.75569 4.387685 -3.056595 
7.013895 
1 1 1 -18 -16 11 o 47.46254 4.428214  475.9402       82.36465 529.5505       
148.5697 452.1528       98.96492 49.06756 7.212019 45.85752 5.140340 3.210045 
8.856428 
1 1 1 -18 -16 12 o 32.82861 5.843214  225.3594       81.30048 384.3472       
135.8706 136.6860       101.4706 40.70531 8.238317 24.95190 8.288711 15.75341 
11.68643 
1 1 1 -18 -16 13 o 47.40109 4.574348  468.0826       87.31570 602.7740       
151.9671 401.7029       106.6835 52.00690 6.960010 42.79529 5.937755 9.211605 
9.148697 
1 1 1 -18 -16 14 o 37.14981 6.105101  323.2928       92.49519 396.4248       
145.7490 273.9786       119.6846 40.54779 8.808313 33.75182 8.455923 6.795975 
12.21020 
1 1 1 -18 -16 15 o 35.32404 6.570075  326.9979       104.6028 189.4583       
162.7560 423.7915       136.5358 28.47950 10.42270 42.16858 8.001930 -13.68908 
13.14015 
1 1 1 -18 -16 16 o 38.89968 6.628596  378.6024       104.9989 414.0341       
168.8759 356.2736       134.0615 39.87916 10.07675 37.92020 8.614655 1.958961 
13.25719 
1 1 1 -18 -16 17 o 45.73269 6.229948  561.7672       111.2447 369.8615       
177.3891 686.1629       142.8189 36.62173 10.80627 54.84364 6.202696 -18.22192 
12.45990 
1 1 1 -18 -16 18 o 62.00780 5.832963  981.6028       137.6906 816.6155       
223.1494 1083.038       174.9704 55.37384 9.961452 68.64177 6.071516 -13.26793 
11.66593 
1 1 1 -18 -16 19 o 38.83221 6.769613  425.2273       107.5816 383.0717       
181.8189 447.9369       133.4493 35.58189 11.03449 42.08252 7.845420 -6.500626 
13.53923 
1 1 1 -18 -16 20 o 18.35247 5.949178  -7.668704      96.41267 24.80311       
173.5980 -22.15172      115.9367 20.33857 9.252651 16.36638 7.480597 3.972197 
11.89836 
1 1 1 -18 -16 21 o 20.37441 6.024521  87.43412       88.09645 40.65742       
134.9795 122.1460       116.2765 18.99235 8.432682 21.75647 8.606351 -2.764124 
12.04904 
1 1 1 -18 -15 1  o 108.5870 5.588271  2525.260       249.4761 2559.729       
323.1086 2474.377       392.5752 109.6987 7.015656 107.4753 8.700325 2.223419 
11.17654 
1 1 1 -18 -15 2  o 126.8530 6.010514  3441.681       318.7832 3407.429       
430.8012 3483.135       473.9345 126.2625 8.126878 127.4436 8.857708 -1.181152 
12.02103 
1 1 1 -18 -15 3  o 48.20488 6.007259  503.8117       116.2575 516.0891       
184.8943 495.7837       149.5110 48.18779 9.476853 48.22198 7.384977 
-0.3419495E-01 12.01452 
1 1 1 -18 -15 4  o 89.39186 4.711625  1608.102       158.6989 1913.186       
311.6024 1501.252       184.4072 94.57018 7.848156 84.21355 5.215752 10.35663 
9.423249 
1 1 1 -18 -15 5  o 53.32211 4.721497  573.7477       97.59866 691.4088       
182.7860 526.8240       115.4309 56.81163 7.663491 49.83260 5.517339 6.979027 
9.442993 
1 1 1 -18 -15 6  o 50.30542 5.053915  536.1847       102.3059 562.9301       
172.8378 521.7602       126.9308 51.12452 8.052500 49.48633 6.109458 1.638187 
10.10783 
1 1 1 -18 -15 7  o 111.9126 4.924626  2679.813       210.1740 2708.025       
389.4417 2668.219       249.6514 111.8118 8.296137 112.0135 5.308661 
-0.2016449     9.849252 
1 1 1 -18 -15 8  o 84.60010 4.611236  1595.029       147.2164 1394.750       
266.6452 1682.847       176.5664 80.18951 7.920221 89.01069 4.724838 -8.821182 
9.222472 
1 1 1 -18 -15 9  o 29.29264 6.531254  188.8891       87.14883 172.5382       
151.8920 196.9132       106.4053 29.00770 10.12170 29.57758 8.257141 
-0.5698814     13.06251 
1 1 1 -18 -15 10 o 33.23532 5.811095  256.0252       79.69242 223.3261       
128.0655 276.6890       101.8049 31.36205 9.158800 35.10859 7.154835 -3.746538 
11.62219 
1 1 1 -18 -15 11 o 92.28048 4.504322  1690.616       126.3458 2082.962       
334.4032 1625.282       136.4606 97.04822 8.207368 87.51274 3.714130 9.535477 
9.008643 
1 1 1 -18 -15 12 o 50.72126 4.488369  550.4622       88.24429 587.3235       
160.8145 534.5811       105.5557 51.57193 7.427334 49.87059 5.041482 1.701336 
8.976738 
1 1 1 -18 -15 13 o 51.78278 4.362756  591.7910       90.72275 568.5279       
150.1658 605.1627       113.8488 50.64601 7.062311 52.91954 5.124289 -2.273537 
8.725513 
1 1 1 -18 -15 14 o 54.33694 4.037760  642.3607       89.99938 664.7784       
144.3038 628.0897       115.1358 54.88226 6.262777 53.79161 5.098202 1.090649 
8.075521 
1 1 1 -18 -15 15 o 22.88021 6.218782  68.66844       89.08747 -16.18807      
118.0956 180.7270       135.7105 17.91801 7.930212 27.84241 9.581480 -9.924408 
12.43756 
1 1 1 -18 -15 16 o 31.38177 7.024770  253.9036       105.3245 189.6286       
174.7651 290.5634       131.9863 28.60078 10.74265 34.16277 9.054554 -5.561995 
14.04954 
1 1 1 -18 -15 17 o 26.61829 6.825524  168.5942       102.9366 76.64289       
168.5878 223.2511       129.9780 23.56194 9.941274 29.67463 9.355329 -6.112688 
13.65105 
1 1 1 -18 -15 18 o 24.26740 6.735112  126.5425       98.03324 97.17313       
171.8345 140.7144       119.3648 24.04308 10.08518 24.49172 8.929508 
-0.4486446     13.47022 
1 1 1 -18 -15 19 o 30.54952 7.032263  258.6753       102.1442 231.5667       
178.9536 271.7751       124.3995 29.00853 10.87559 32.09051 8.918097 -3.081982 
14.06453 
1 1 1 -18 -15 20 o 27.88015 7.175410  210.2873       102.6862 267.2272       
185.6517 185.1891       123.2570 29.59974 11.08120 26.16056 9.118827 3.439184 
14.35082 
1 1 1 -18 -15 21 o 26.15297 6.673866  208.1174       102.0428 97.98939       
169.0177 271.2836       128.0046 22.04958 9.638594 30.25636 9.233604 -8.206787 
13.34773 
1 1 1 -18 -14 1  o 82.28429 5.435299  1461.038       182.7626 1526.880       
236.2849 1362.980       288.3531 84.78354 6.638126 79.78504 8.608437 4.998497 
10.87060 
1 1 1 -18 -14 2  o 125.5221 5.581285  3230.491       273.1667 3023.247       
325.6402 3722.656       501.8251 119.3305 6.499912 131.7137 9.074915 -12.38313 
11.16257 
1 1 1 -18 -14 3  o 29.27816 6.624977  169.2997       106.3868 -22.41324      
170.3835 291.8035       136.1999 22.37713 9.729676 36.17919 8.994147 -13.80206 
13.24995 
1 1 1 -18 -14 4  o 273.0279 10.48643  16672.35       984.5482 16509.49       
2097.548 16718.37       1115.009 267.4359 18.68156 278.6199 9.532070 -11.18393 
20.97286 
1 1 1 -18 -14 5  o 89.45938 4.418462  1688.407       141.5778 1722.904       
290.2868 1677.640       162.1736 89.77882 7.701484 89.13994 4.333401 0.6388855 
8.836924 
1 1 1 -18 -14 6  o 133.2500 5.238988  3798.852       254.8086 3797.422       
504.8108 3799.341       295.1704 132.6096 9.067230 133.8904 5.251030 -1.280746 
10.47798 
1 1 1 -18 -14 7  o 160.3152 6.215684  5291.024       339.3933 6047.187       
764.1682 5105.216       378.8040 165.7391 10.98209 154.8913 5.825169 10.84781 
12.43137 
1 1 1 -18 -14 8  o 84.01482 4.324110  1380.298       125.3834 1740.723       
284.0159 1293.050       139.7375 89.87685 7.526895 78.15279 4.258822 11.72407 
8.648220 
1 1 1 -18 -14 9  o 87.92838 4.392587  1506.363       132.6810 1930.555       
303.3477 1406.014       147.5426 94.42303 7.652155 81.43372 4.315530 12.98931 
8.785173 
1 1 1 -18 -14 10 o 101.1971 3.580179  2179.635       141.7140 2193.421       
251.0857 2173.190       171.6710 101.1485 5.912670 101.2458 4.038695 
-0.9725952E-01 7.160357 
1 1 1 -18 -14 11 o 26.03060 6.289170  144.2208       82.98406 76.43700       
146.7383 176.0923       100.6195 24.07712 9.622357 27.98408 8.100920 -3.906954 
12.57834 
1 1 1 -18 -14 12 o 25.09986 6.246268  131.1463       81.87276 54.76915       
150.3807 163.3229       97.60680 23.25264 9.568930 26.94707 8.031131 -3.694431 
12.49254 
1 1 1 -18 -14 13 o 78.94214 3.519976  1309.817       113.8222 1475.542       
186.4111 1211.300       143.7256 82.68062 5.370185 75.20366 4.552146 7.476959 
7.039952 
1 1 1 -18 -14 14 o 65.23599 3.957402  942.3998       104.6778 853.5026       
166.5273 1000.471       134.5932 62.30915 6.365823 68.16284 4.703235 -5.853691 
7.914804 
1 1 1 -18 -14 15 o 41.12015 5.249790  405.9460       85.36891 267.6415       
125.8627 523.7847       116.1778 33.34967 8.843374 48.89063 5.660026 -15.54097 
10.49958 
1 1 1 -18 -14 16 o 16.64605 5.362149  -76.29893      78.23888 26.35686       
135.6770 -127.4418      95.76509 20.57173 8.807452 12.72036 6.118769 7.851369 
10.72430 
1 1 1 -18 -14 17 o 22.53273 6.362105  44.69906       88.69176 192.3140       
159.1021 -21.85433      106.8306 28.36635 10.31248 16.69912 7.453745 11.66723 
12.72421 
1 1 1 -18 -14 18 o 34.13126 6.696672  306.5012       98.31826 273.2328       
164.7167 324.9143       122.5423 32.01632 10.56053 36.24619 8.237532 -4.229870 
13.39334 
1 1 1 -18 -14 19 o 41.34223 6.191393  427.6835       99.14375 442.5673       
176.9585 420.8741       119.6936 40.17764 10.40906 42.50682 6.707078 -2.329178 
12.38279 
1 1 1 -18 -14 20 o 22.03991 6.600759  76.59711       101.1195 93.76305       
174.4238 67.90712       124.1027 23.41869 10.00494 20.66114 8.612848 2.757551 
13.20152 
1 1 1 -18 -14 21 o 45.20693 6.603883  532.3772       113.9337 677.8082       
206.4204 468.6606       136.6313 47.92635 10.54412 42.48752 7.954031 5.438831 
13.20777 
1 1 1 -18 -14 22 o 25.42659 7.142695  171.1738       105.7033 308.7318       
195.5417 114.3826       125.6427 29.26744 11.25956 21.58573 8.791741 7.681709 
14.28539 
1 1 1 -18 -13 1  o 65.69321 5.519814  894.0215       147.5562 818.6970       
183.9961 1029.766       247.0024 62.02755 7.065536 69.35886 8.482430 -7.331318 
11.03963 
1 1 1 -18 -13 2  o 25.39322 7.513892  31.67325       134.2733 49.54251       
182.1212 10.39212       198.7488 25.56534 10.52721 25.22111 10.72437 0.3442287 
15.02778 
1 1 1 -18 -13 3  o 42.19089 6.079370  387.7395       96.90777 389.8299       
180.0856 386.8874       114.9739 41.68719 10.32919 42.69460 6.414271 -1.007408 
12.15874 
1 1 1 -18 -13 4  o 123.0672 4.153615  3275.696       205.4986 2961.802       
334.5073 3465.973       260.4387 118.0493 6.749367 128.0852 4.843149 -10.03583 
8.307229 
1 1 1 -18 -13 5  o 92.10214 4.484512  1715.024       158.2060 2013.304       
301.3631 1601.547       185.8794 97.17892 7.386507 87.02537 5.087523 10.15355 
8.969024 
1 1 1 -18 -13 6  o 120.0258 4.846845  3063.438       230.1157 3082.145       
399.0720 3054.120       281.6567 120.0113 7.920456 120.0404 5.588738 
-0.2909088E-01 9.693689 
1 1 1 -18 -13 7  f 85.57805 4.200328  1490.672       126.9200 1680.844       
271.9914 1437.737       143.5013 88.64765 7.308177 82.50845 4.142653 6.139198 
8.400656 
1 1 1 -18 -13 8  o 70.14163 4.236674  1040.692       112.1987 1065.016       
212.2681 1031.261       132.1712 70.48477 7.173161 69.79850 4.510365 0.6862717 
8.473348 
1 1 1 -18 -13 9  o 49.75101 5.342038  562.9362       96.82367 490.5728       
176.0358 594.3232       115.9357 46.63834 9.319984 52.86368 5.223732 -6.225338 
10.68408 
1 1 1 -18 -13 10 o 110.1034 4.643735  2434.281       166.5821 2887.995       
401.5923 2339.989       183.0751 115.1240 8.308846 105.0828 4.149721 10.04118 
9.287470 
1 1 1 -18 -13 11 o 80.84978 3.367983  1393.557       110.4959 1384.020       
180.7026 1399.254       139.6455 80.48093 5.348012 81.21862 4.095364 
-0.7376862     6.735966 
1 1 1 -18 -13 12 o 71.52153 4.219009  1116.562       112.2531 1067.740       
213.2611 1135.273       132.0223 69.99285 7.257366 73.05022 4.304740 -3.057365 
8.438018 
1 1 1 -18 -13 13 o 48.28650 4.828218  485.8113       90.93329 573.4167       
167.4332 449.1609       108.2969 50.93909 7.829093 45.63391 5.652614 5.305176 
9.656435 
1 1 1 -18 -13 14 o 25.53703 6.212671  140.5048       80.11942 119.5374       
128.0859 153.9817       102.6891 24.89003 9.226757 26.18404 8.322022 -1.294016 
12.42534 
1 1 1 -18 -13 15 o 35.86958 6.017049  278.0450       85.32770 401.0272       
151.4238 220.8241       103.2880 41.03994 9.032465 30.69922 7.951986 10.34072 
12.03410 
1 1 1 -18 -13 16 o 23.51896 5.617123  100.8187       80.39207 -64.75675      
126.1390 214.0783       104.3251 17.02668 7.790900 30.01124 8.093835 -12.98456 
11.23425 
1 1 1 -18 -13 17 o 22.96523 6.238227  93.80600       83.86673 141.7444       
131.7387 61.13804       108.7508 25.49433 9.372522 20.43614 8.235153 5.058191 
12.47645 
1 1 1 -18 -13 18 o 33.53995 6.822724  295.2116       101.3038 246.0263       
169.7037 322.4418       126.2696 30.91708 10.70723 36.16282 8.458927 -5.245741 
13.64545 
1 1 1 -18 -13 19 o 24.64315 6.578810  138.2251       92.52216 84.10999       
165.5578 162.8017       111.5709 23.48999 9.878341 25.79630 8.691452 -2.306307 
13.15762 
1 1 1 -18 -13 20 o 24.15111 6.777938  127.9778       99.75971 80.37951       
186.1322 147.1612       118.1648 23.67923 10.23062 24.62298 8.893604 
-0.9437523     13.55588 
1 1 1 -18 -13 21 o 32.39674 7.246288  302.9312       108.6264 303.4210       
183.2488 302.6658       134.8787 31.60994 11.10908 33.18355 9.307151 -1.573610 
14.49258 
1 1 1 -18 -13 22 o 56.67459 6.307604  857.2209       130.7996 915.5803       
241.7970 833.0790       155.5182 54.66140 10.92265 58.68777 6.311822 -4.026371 
12.61521 
1 1 1 -18 -12 1  o 34.18170 7.450805  228.0767       118.8014 140.6134       
151.3747 368.3452       191.6992 27.82679 10.06457 40.53661 10.98920 -12.70982 
14.90161 
1 1 1 -18 -12 2  o 70.79324 4.880596  1010.670       140.1901 1288.087       
238.8465 864.8687       173.1542 77.76401 7.315791 63.82248 6.462202 13.94153 
9.761191 
1 1 1 -18 -12 3  o 35.98752 6.670522  229.0794       109.5357 513.0231       
185.3046 76.58101       135.8009 48.06516 9.521442 23.90988 9.344815 24.15528 
13.34104 
1 1 1 -18 -12 4  o 84.63169 4.334633  1536.423       149.4664 1440.906       
238.2001 1598.456       191.9607 82.32478 6.891797 86.93861 5.259212 -4.613831 
8.669267 
1 1 1 -18 -12 5  o 70.22697 4.910499  1138.456       132.6588 730.0881       
207.0401 1422.880       172.7872 58.40622 8.443384 82.04771 5.016101 -23.64150 
9.820998 
1 1 1 -18 -12 6  o 117.8918 4.692173  2765.584       194.5230 3309.921       
424.8286 2621.184       218.8084 124.3900 8.134845 111.3935 4.678699 12.99652 
9.384345 
1 1 1 -18 -12 7  o 137.7995 5.127765  3798.097       219.1872 4443.201       
561.2430 3681.998       238.0952 143.5420 9.313074 132.0570 4.294477 11.48502 
10.25553 
1 1 1 -18 -12 8  o 60.69046 4.883641  838.7048       108.4802 674.8756       
201.2905 905.7636       128.7821 55.95545 8.568441 65.42548 4.688455 -9.470024 
9.767282 
1 1 1 -18 -12 9  o 73.56586 4.518231  1169.432       125.6122 1123.730       
233.3690 1188.073       149.0449 72.25893 7.692594 74.87278 4.741482 -2.613853 
9.036463 
1 1 1 -18 -12 10 o 99.59534 4.249581  2035.732       148.4343 2276.195       
320.2192 1969.924       167.5186 102.7288 7.424654 96.46185 4.136458 6.266960 
8.499163 
1 1 1 -18 -12 11 f 48.39235 5.126286  542.2425       94.51617 410.4495       
151.3565 626.4862       121.0107 42.58807 8.765326 54.19663 5.318298 -11.60856 
10.25257 
1 1 1 -18 -12 12 o 50.87582 4.735623  565.2489       93.26211 542.8327       
166.0154 575.5850       112.7314 49.83899 7.934148 51.91264 5.172409 -2.073643 
9.471247 
1 1 1 -18 -12 13 o 59.80101 4.411133  745.8784       100.5398 838.8417       
191.0842 710.2904       118.2280 61.95414 7.346417 57.64788 4.884927 4.306255 
8.822266 
1 1 1 -18 -12 14 o 101.1448 3.448543  2199.537       141.5462 2171.868       
230.9566 2216.181       179.1306 100.3513 5.481866 101.9383 4.185561 -1.586990 
6.897085 
1 1 1 -18 -12 15 o 35.93965 5.937150  308.5157       86.70690 268.2480       
139.5115 333.8590       110.6787 33.58340 9.480661 38.29590 7.149552 -4.712498 
11.87430 
1 1 1 -18 -12 16 o 56.35654 4.544659  734.9224       99.65449 597.9965       
166.1381 811.8748       124.5482 51.44382 7.692314 61.26925 4.841902 -9.825428 
9.089318 
1 1 1 -18 -12 17 o 51.90787 4.548315  570.2363       95.97509 733.0904       
162.5836 483.1346       118.9024 57.13126 6.778352 46.68448 6.066516 10.44678 
9.096629 
1 1 1 -18 -12 18 f 28.29413 6.457219  194.5140       86.37944 190.3232       
137.8643 197.2224       110.8313 28.11427 9.658937 28.47400 8.572494 
-0.3597260     12.91444 
1 1 1 -18 -12 19 o 28.11719 7.030537  166.0333       103.2127 308.1412       
173.4827 88.17356       128.4114 33.85654 10.82240 22.37784 8.977164 11.47870 
14.06107 
1 1 1 -18 -12 20 o 44.73671 6.116725  485.2945       105.8110 543.6837       
186.6881 457.6605       128.4317 45.19950 10.09536 44.27392 6.909480 0.9255867 
12.23345 
1 1 1 -18 -12 21 o 21.66468 6.587457  11.15134       109.5483 180.1455       
178.5728 -90.82636      138.7177 26.80523 10.64590 16.52413 7.761641 10.28110 
13.17491 
1 1 1 -18 -12 22 o 17.41032 5.822381  -94.97984      113.8306 -177.2600      
180.2362 -40.38358      146.8168 16.91286 8.189220 17.90777 8.278716 
-0.9949017     11.64476 
1 1 1 -18 -12 23 o 24.96881 6.940653  185.6862       112.8118 90.94775       
186.3209 240.5178       141.7470 22.12285 9.860009 27.81478 9.770919 -5.691931 
13.88131 
1 1 1 -18 -11 1  o 109.6125 6.530929  2551.006       300.5481 2551.006       
300.5481 0.000000       0.000000 109.6125 6.530929 ?        ?        ? ? 
1 1 1 -18 -11 2  o 150.6697 5.655546  4830.376       356.4910 5063.527       
531.2593 4639.400       480.8155 153.8903 8.222735 147.4491 7.767072 6.441193 
11.31109 
1 1 1 -18 -11 3  o 78.38111 4.400149  1312.365       140.6020 1264.175       
225.4788 1343.026       179.8517 77.09114 6.966622 79.67108 5.376935 -2.579941 
8.800299 
1 1 1 -18 -11 4  o 162.9645 5.263680  5646.145       349.0305 5707.919       
569.4961 5608.981       441.7106 163.3838 8.302386 162.5452 6.472690 0.8385773 
10.52736 
1 1 1 -18 -11 5  o 133.7103 4.659999  3722.854       230.8422 3956.241       
454.4276 3641.683       267.9954 136.1264 7.951394 131.2942 4.861864 4.832230 
9.319999 
1 1 1 -18 -11 6  o 141.6796 5.233080  4101.297       243.4470 4567.368       
573.6374 3998.915       268.8600 145.7484 9.374643 137.6108 4.653663 8.137634 
10.46616 
1 1 1 -18 -11 7  o 102.4585 4.661881  2316.321       173.1236 2060.094       
336.2865 2408.716       201.9394 98.11359 8.163968 106.8033 4.503575 -8.689728 
9.323763 
1 1 1 -18 -11 8  o 55.52662 5.908667  764.5880       108.5751 507.1082       
210.6675 857.7180       126.6982 47.36423 10.82578 63.68902 4.738349 -16.32479 
11.81733 
1 1 1 -18 -11 9  o 70.19730 4.563770  1103.893       116.6207 940.6251       
222.1248 1166.024       137.0255 66.13784 7.999596 74.25675 4.395278 -8.118912 
9.127541 
1 1 1 -18 -11 10 o 39.78552 6.415846  323.1985       98.36713 463.6631       
182.0741 265.3005       116.8951 45.20301 9.866867 34.36804 8.203492 10.83496 
12.83169 
1 1 1 -18 -11 11 o 135.5349 4.763096  3848.353       223.0583 4125.504       
485.8339 3774.325       251.0866 137.6772 8.405176 133.3927 4.483452 4.284531 
9.526192 
1 1 1 -18 -11 12 o 99.73793 3.904286  1976.158       148.7118 2495.109       
288.4416 1788.272       173.5569 107.7296 6.377406 91.74628 4.505828 15.98330 
7.808572 
1 1 1 -18 -11 13 o 54.72789 4.758276  598.6770       98.43938 766.4991       
194.6046 540.9690       114.1160 59.19339 7.830707 50.26240 5.407847 8.930984 
9.516553 
1 1 1 -18 -11 14 o 82.85527 4.047768  1494.842       132.3308 1431.853       
227.3022 1527.136       162.7566 81.13574 6.672867 84.57480 4.583726 -3.439056 
8.095536 
1 1 1 -18 -11 15 f 120.3880 4.340714  3227.599       202.1416 2949.750       
354.8000 3361.132       245.9654 115.5677 7.312543 125.2084 4.679092 -9.640762 
8.681428 
1 1 1 -18 -11 16 o 19.21885 5.708050  5.429170       84.68155 -118.7890      
136.1926 83.72128       108.1234 16.50450 7.740974 21.93319 8.390748 -5.428688 
11.41610 
1 1 1 -18 -11 17 o 27.10981 6.481722  168.3451       86.92812 155.9944       
138.7392 176.3273       111.5357 26.76110 9.639685 27.45851 8.667605 
-0.6974068     12.96344 
1 1 1 -18 -11 18 o 60.14701 4.525939  818.4289       108.9114 776.8022       
180.5866 842.2249       136.5373 58.31842 7.375660 61.97560 5.247490 -3.657177 
9.051879 
1 1 1 -18 -11 19 f 53.81310 4.402171  619.8385       96.95480 836.9903       
158.6131 490.2983       122.5066 60.98284 6.195158 46.64336 6.255913 14.33948 
8.804341 
1 1 1 -18 -11 20 o 29.28841 6.060172  189.6994       95.93255 385.2501       
138.3127 8.416334       133.1715 39.22155 8.632848 19.35528 8.507448 19.86627 
12.12034 
1 1 1 -18 -11 21 o 33.87769 6.893423  332.9152       114.8491 155.1501       
190.2376 434.8619       144.0654 26.36911 10.79200 41.38626 8.579614 -15.01715 
13.78685 
1 1 1 -18 -11 22 o 78.36089 5.161318  1477.438       158.4828 1515.766       
276.9147 1458.769       193.2640 77.15157 8.549139 79.57021 5.785242 -2.418648 
10.32264 
1 1 1 -18 -11 23 o 24.47898 6.892582  158.6488       114.5083 34.76425       
191.3128 227.8059       142.9400 21.28791 9.692219 27.67005 9.802634 -6.382137 
13.78516 
1 1 1 -18 -11 24 o 26.76287 7.216389  239.5192       123.9592 92.94011       
220.9443 306.8521       149.7477 22.64282 10.33999 30.88292 10.06925 -8.240093 
14.43278 
1 1 1 -18 -10 1  o 126.6114 6.084321  3372.457       305.2318 3602.896       
534.9343 3261.210       371.6762 129.3965 9.846884 123.8263 7.149456 5.570259 
12.16864 
1 1 1 -18 -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -10 3  o 203.5181 6.769355  8927.631       568.5558 8833.268       
886.2455 8993.629       741.1801 202.1277 10.44358 204.9084 8.615589 -2.780731 
13.53871 
1 1 1 -18 -10 4  o 118.6988 4.481348  2759.517       184.2676 3411.672       
413.9695 2598.375       205.7778 126.4368 7.798589 110.9608 4.417230 15.47596 
8.962695 
1 1 1 -18 -10 5  o 18.62919 6.008701  -66.50289      90.03906 -77.37690      
181.1273 -62.93383      103.7686 21.51638 9.651978 15.74200 7.159419 5.774377 
12.01740 
1 1 1 -18 -10 6  o 74.07213 4.388391  1172.255       118.2331 1146.484       
234.5294 1181.036       136.9027 73.32854 7.618077 74.81572 4.358532 -1.487183 
8.776782 
1 1 1 -18 -10 7  o 93.59247 4.279346  1818.601       145.8994 1936.937       
294.9376 1780.261       167.8787 95.33695 7.368684 91.84798 4.353586 3.488976 
8.558693 
1 1 1 -18 -10 8  o 111.5969 4.447754  2712.193       177.4221 2515.813       
355.9265 2777.125       204.6624 108.4845 7.814723 114.7093 4.249723 -6.224754 
8.895508 
1 1 1 -18 -10 9  o 77.12276 4.447308  1224.654       125.9087 1350.889       
253.5103 1183.319       145.0654 79.43803 7.601305 74.80748 4.618913 4.630554 
8.894615 
1 1 1 -18 -10 10 o 65.44524 4.570816  897.7148       109.4088 948.3425       
219.1707 880.9112       126.2666 66.39220 7.862969 64.49829 4.662956 1.893906 
9.141632 
1 1 1 -18 -10 11 o 88.79784 4.090331  1619.943       134.2461 1813.429       
268.2747 1555.308       155.0560 91.89630 6.953489 85.69937 4.309550 6.196930 
8.180662 
1 1 1 -18 -10 12 o 92.69596 3.725919  1855.351       137.0548 1754.257       
232.2647 1909.356       169.7600 90.49216 6.113548 94.89977 4.260802 -4.407608 
7.451838 
1 1 1 -18 -10 13 o 21.42025 6.483691  6.355883       93.49344 46.14591       
179.0327 -8.563918      109.6293 24.77316 10.33704 18.06733 7.829345 6.705832 
12.96738 
1 1 1 -18 -10 14 o 28.88293 6.921856  168.5014       92.36077 209.7228       
174.7991 152.5354       108.7869 31.28523 10.86370 26.48064 8.580694 4.804592 
13.84371 
1 1 1 -18 -10 15 o 53.21151 4.784157  638.8748       101.9950 532.7948       
161.9742 708.5757       131.2949 49.06697 7.862806 57.35606 5.452425 -8.289089 
9.568315 
1 1 1 -18 -10 16 o 74.30820 3.662501  1165.386       112.1520 1329.274       
180.5160 1062.358       143.1269 78.34274 5.488301 70.27366 4.851206 8.069084 
7.325002 
1 1 1 -18 -10 17 o 72.46677 3.840867  1130.111       112.0730 1189.753       
188.9606 1097.746       139.1992 73.57816 6.117071 71.35538 4.646555 2.222771 
7.681733 
1 1 1 -18 -10 18 o 46.90595 5.196311  450.7149       94.12556 775.7881       
163.4275 289.3591       115.1401 58.91391 6.607365 34.89798 8.021802 24.01593 
10.39262 
1 1 1 -18 -10 19 o 24.17194 6.492459  119.0555       89.26385 112.9942       
145.8418 122.6864       112.8762 24.47971 9.652821 23.86416 8.685110 0.6155434 
12.98492 
1 1 1 -18 -10 20 o 64.56740 4.417875  925.7237       116.5720 1024.109       
191.2300 867.5439       147.0538 66.79544 6.819149 62.33935 5.618690 4.456089 
8.835750 
1 1 1 -18 -10 21 o 37.15899 6.420255  353.5739       97.69653 367.4365       
155.8758 344.6050       125.3784 37.17183 9.834375 37.14615 8.256135 
0.2568436E-01  12.84051 
1 1 1 -18 -10 22 o 25.47256 7.015199  90.85130       116.3851 316.0641       
187.4563 -50.41795      148.4661 32.79404 11.26335 18.15108 8.365947 14.64296 
14.03040 
1 1 1 -18 -10 23 o 34.22331 6.976600  364.3358       122.2828 153.9851       
196.0130 498.3648       156.4632 25.34662 10.70807 43.09999 8.945898 -17.75337 
13.95320 
1 1 1 -18 -10 24 o 33.29784 6.554471  330.9406       105.0322 176.6396       
146.8041 492.7524       150.3347 24.67159 9.698522 41.92410 8.819471 -17.25251 
13.10894 
1 1 1 -18 -9  1  o 61.94093 4.604603  815.1191       119.5393 767.8373       
170.1038 861.2516       168.0235 60.14083 6.736986 63.74102 6.278732 -3.600189 
9.209206 
1 1 1 -18 -9  2  o 180.6322 7.394311  6614.159       442.2753 7774.973       
1040.885 6358.408       488.5731 188.2419 13.17066 173.0225 6.725862 15.21936 
14.78862 
1 1 1 -18 -9  3  o 24.89437 9.176625  106.5293       126.3624 0.000000       
0.000000 106.5293       126.3624 ?        ?        24.89437 9.176625 ? ? 
1 1 1 -18 -9  4  o 83.71172 7.382149  1493.097       259.4466 1493.097       
259.4466 0.000000       0.000000 83.71172 7.382149 ?        ?        ? ? 
1 1 1 -18 -9  5  o 26.80170 6.607856  104.1668       87.42529 235.1559       
161.2301 49.61279       104.0499 33.09082 10.41696 20.51257 8.132769 12.57825 
13.21571 
1 1 1 -18 -9  6  o 160.0090 6.073912  5153.291       317.2753 6022.483       
760.9288 4970.378       349.0663 166.7484 10.86934 153.2696 5.424664 13.47882 
12.14782 
1 1 1 -18 -9  7  o 119.0209 4.258879  3019.491       191.2821 2965.157       
358.7086 3041.080       226.1135 118.0090 7.240151 120.0327 4.486915 -2.023727 
8.517757 
1 1 1 -18 -9  8  o 169.6441 6.210452  6062.975       338.0673 6350.037       
806.9923 6001.873       372.3118 170.8637 11.24969 168.4246 5.265290 2.439087 
12.42090 
1 1 1 -18 -9  9  o 32.99571 6.324536  258.5437       97.48837 86.12141       
162.4295 355.6266       121.8820 25.80625 10.18347 40.18517 7.503063 -14.37892 
12.64907 
1 1 1 -18 -9  10 o 35.32212 6.927763  244.2448       97.57609 378.4661       
189.3031 195.6811       113.8683 40.85551 10.85084 29.78873 8.615966 11.06678 
13.85553 
1 1 1 -18 -9  11 o 32.30514 7.027126  226.3427       97.38000 219.0072       
188.4897 229.0134       113.7342 32.64711 11.28644 31.96316 8.374853 0.6839466 
14.05425 
1 1 1 -18 -9  12 o 80.45053 3.882497  1386.346       120.4818 1361.360       
217.5403 1397.401       144.7011 79.68115 6.502870 81.21991 4.243562 -1.538757 
7.764994 
1 1 1 -18 -9  13 o 24.40646 6.697226  55.12745       95.27777 181.4428       
170.0742 -2.647003      115.0213 30.05125 10.68797 18.76167 8.073333 11.28959 
13.39445 
1 1 1 -18 -9  14 f 74.16605 4.239739  1047.555       116.8676 1489.442       
241.8593 912.9528       133.4856 82.90096 6.949033 65.43115 4.859270 17.46980 
8.479479 
1 1 1 -18 -9  15 f 44.67551 5.518437  439.9093       99.26912 473.7581       
158.2336 417.9409       127.4755 45.55800 8.587276 43.79301 6.933347 1.764988 
11.03687 
1 1 1 -18 -9  16 o 41.33357 5.606921  383.4226       92.81070 446.0438       
144.3684 339.3115       121.1672 44.15359 8.089502 38.51356 7.765965 5.640030 
11.21384 
1 1 1 -18 -9  17 o 42.12558 5.678267  369.3983       95.14961 568.7811       
164.9785 270.0228       116.4725 50.32058 7.809131 33.93057 8.245506 16.39001 
11.35653 
1 1 1 -18 -9  18 o 78.06640 3.809805  1290.875       119.5697 1466.331       
205.5115 1201.087       147.0141 81.60266 5.998641 74.53014 4.698379 7.072525 
7.619611 
1 1 1 -18 -9  19 o 17.69922 5.679123  -44.28576      90.04004 -65.12248      
145.8074 -31.44209      114.4747 18.32390 8.381065 17.07454 7.665997 1.249363 
11.35825 
1 1 1 -18 -9  20 o 54.15203 4.864798  678.9750       103.3821 638.5884       
177.0007 699.8867       127.3653 52.06673 8.097215 56.23734 5.394454 -4.170601 
9.729595 
1 1 1 -18 -9  21 o 22.68501 6.497216  85.63842       95.28570 126.7457       
147.2155 56.00079       125.0017 24.65311 9.705473 20.71692 8.640547 3.936193 
12.99443 
1 1 1 -18 -9  22 o 58.07327 3.841016  766.3160       92.59016 863.4864       
128.5375 661.5179       133.4872 62.29387 4.914799 53.85266 5.904099 8.441204 
7.682033 
1 1 1 -18 -9  23 o 27.96920 6.522798  200.5987       98.74450 75.43298       
140.4072 323.0860       138.8967 21.54146 9.079815 34.39694 9.367206 -12.85548 
13.04560 
1 1 1 -18 -9  24 o 17.95473 5.868371  -31.63064      104.9063 -6.623318      
144.3685 -59.60822      152.7017 18.42052 8.395504 17.48894 8.201624 0.9315796 
11.73674 
1 1 1 -18 -9  25 o 51.12062 5.440947  688.4683       116.4541 662.8704       
167.7737 712.2676       161.7720 49.73471 8.034992 52.50653 7.338563 -2.771824 
10.88189 
1 1 1 -18 -8  1  o 98.66649 4.169750  2056.420       172.4411 2230.250       
249.6001 1897.687       238.5144 102.6620 5.791034 94.67101 6.000932 7.990974 
8.339499 
1 1 1 -18 -8  2  o 33.83306 6.400762  247.3374       98.20398 131.2687       
136.7093 371.0872       141.1604 26.72845 9.574759 40.93766 8.497234 -14.20921 
12.80152 
1 1 1 -18 -8  3  o 58.23834 4.212144  755.4522       97.20929 580.6116       
154.1781 870.8181       125.2392 52.25169 7.028188 64.22498 4.644695 -11.97329 
8.424288 
1 1 1 -18 -8  4  o 144.8794 4.875648  4089.481       234.1557 5097.574       
559.1825 3875.126       257.8514 154.2699 8.633628 135.4888 4.533017 18.78117 
9.751296 
1 1 1 -18 -8  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -8  6  o 93.50932 4.000382  1592.172       125.6315 2311.274       
304.0252 1444.095       137.9614 104.2530 6.946120 82.76570 3.970345 21.48725 
8.000764 
1 1 1 -18 -8  7  o 111.9725 4.593002  2635.763       183.3506 2711.844       
379.2950 2612.564       209.4478 112.6864 8.017269 111.2585 4.483977 1.427895 
9.186004 
1 1 1 -18 -8  8  o 79.53513 4.205992  1318.951       125.6862 1390.521       
241.5919 1292.392       147.1703 80.82312 7.119802 78.24715 4.479945 2.575974 
8.411984 
1 1 1 -18 -8  9  o 110.6840 4.989937  2516.824       189.9510 2774.955       
419.8970 2450.407       212.9908 113.6790 8.797993 107.6891 4.710968 5.989929 
9.979875 
1 1 1 -18 -8  10 o 57.08797 4.881944  706.5579       107.3131 665.2843       
192.1530 725.2660       129.3678 55.66835 8.221668 58.50760 5.266658 -2.839249 
9.763888 
1 1 1 -18 -8  11 o 36.40409 7.184884  287.7801       107.7095 325.3512       
194.0856 271.0594       129.4775 38.07013 11.32054 34.73806 8.850739 3.332069 
14.36977 
1 1 1 -18 -8  12 o 100.8054 3.893444  2159.410       152.7814 2173.957       
273.1761 2152.788       184.3004 100.7879 6.455876 100.8229 4.353995 
-0.3498077E-01 7.786887 
1 1 1 -18 -8  13 o 31.38928 6.315087  167.3636       90.15553 389.6696       
160.5916 65.05679       108.9431 41.32699 9.456108 21.45156 8.372772 19.87543 
12.63017 
1 1 1 -18 -8  14 f 64.22214 4.913798  924.6334       114.1742 823.9851       
221.6306 960.9932       133.2104 61.24928 8.618859 67.19498 4.721962 -5.945702 
9.827597 
1 1 1 -18 -8  15 o 60.41410 4.320469  751.0095       103.3194 896.2391       
185.3492 685.5386       124.4478 64.24471 6.871862 56.58350 5.238638 7.661217 
8.640938 
1 1 1 -18 -8  16 o 67.90871 4.240684  1011.575       115.7161 949.3105       
190.2101 1048.159       145.8004 65.90328 6.874603 69.91413 4.967235 -4.010849 
8.481367 
1 1 1 -18 -8  17 o 54.68314 4.645948  642.6041       102.9429 708.4457       
172.6783 606.3024       128.2187 56.54313 7.274093 52.82315 5.781601 3.719986 
9.291897 
1 1 1 -18 -8  18 o 62.16183 4.151888  839.9463       105.0200 871.8628       
172.1062 821.0121       132.5601 62.79160 6.528541 61.53207 5.131359 1.259529 
8.303776 
1 1 1 -18 -8  19 o 48.06588 4.943631  488.9910       94.24986 705.1884       
158.7444 371.2906       117.1284 56.09780 6.740215 40.03396 7.233772 16.06384 
9.887262 
1 1 1 -18 -8  20 o 77.29444 4.285093  1360.828       130.5647 1244.613       
220.5079 1423.569       162.0195 73.82417 7.114536 80.76472 4.778227 -6.940552 
8.570186 
1 1 1 -18 -8  21 o 18.85908 5.697504  23.49492       80.49413 48.57067       
110.7296 -4.606217      117.2192 19.72901 8.174261 17.98915 7.938997 1.739857 
11.39501 
1 1 1 -18 -8  22 o 76.66399 3.504358  1302.163       112.0234 1113.006       
154.9739 1509.159       162.1173 70.60731 5.227934 82.72066 4.668062 -12.11335 
7.008716 
1 1 1 -18 -8  23 o 65.68071 3.778910  967.0693       103.7868 1075.984       
155.0824 878.7188       139.6767 68.99496 5.353851 62.36647 5.334503 6.628490 
7.557820 
1 1 1 -18 -8  24 o 28.40922 7.121784  228.0935       108.5102 163.1376       
149.4380 300.5388       157.8179 25.03744 9.799253 31.78100 10.33701 -6.743565 
14.24357 
1 1 1 -18 -8  25 o 26.76171 6.797228  218.7666       102.9383 133.2994       
154.4004 287.1517       138.1113 22.91464 9.583026 30.60878 9.642346 -7.694145 
13.59446 
1 1 1 -18 -7  1  o 180.7471 6.356157  6980.307       480.2065 7059.087       
714.9858 6915.566       648.1516 181.5261 9.381654 179.9681 8.578315 1.557983 
12.71231 
1 1 1 -18 -7  2  o 122.8952 4.290020  3197.060       221.1232 3241.828       
320.9161 3156.594       305.1130 123.6931 6.179694 122.0972 5.952180 1.595940 
8.580039 
1 1 1 -18 -7  3  o 57.34145 4.643561  758.5087       101.6833 517.8011       
165.8159 903.5826       128.7287 49.25940 8.017852 65.42350 4.686652 -16.16410 
9.287123 
1 1 1 -18 -7  4  f 161.8612 4.622543  5566.209       292.9749 5553.221       
517.1713 5572.347       355.5238 161.3879 7.632810 162.3345 5.216497 
-0.9465332     9.245087 
1 1 1 -18 -7  5  o 174.9257 6.719679  6387.237       358.5815 6874.809       
916.8202 6299.183       389.6176 177.3086 12.31616 172.5427 5.378523 4.765900 
13.43936 
1 1 1 -18 -7  6  o 103.5246 4.555444  2262.487       197.9946 0.000000       
0.000000 2262.487       197.9946 ?        ?        103.5246 4.555444 ? ? 
1 1 1 -18 -7  7  o 168.5938 5.898985  6067.045       378.0829 6105.131       
703.8627 6051.600       448.2396 168.3046 9.961229 168.8829 6.321869 
-0.5782776     11.79797 
1 1 1 -18 -7  8  o 104.0061 4.512550  2314.878       184.5302 2240.637       
320.6899 2351.627       225.6255 102.5422 7.449100 105.4700 5.095424 -2.927818 
9.025101 
1 1 1 -18 -7  9  o 131.1093 4.973627  3645.351       234.5739 3686.466       
476.6858 3632.213       269.4572 131.1249 8.659006 131.0936 4.895864 
0.3132629E-01  9.947254 
1 1 1 -18 -7  10 o 92.53038 4.181751  1782.380       145.8643 1896.094       
279.4150 1739.782       171.0168 94.30817 7.057023 90.75259 4.488495 3.555580 
8.363502 
1 1 1 -18 -7  11 o 129.6307 4.491264  3446.281       214.5580 3862.725       
430.9006 3308.991       247.4096 134.2181 7.646929 125.0433 4.712781 9.174843 
8.982529 
1 1 1 -18 -7  12 o 92.47533 4.047795  1790.581       143.5874 1895.177       
266.7190 1747.897       170.3850 94.09231 6.751821 90.85834 4.466710 3.233971 
8.095590 
1 1 1 -18 -7  13 o 46.39700 5.460937  493.9704       99.42303 356.1227       
149.0480 604.4792       133.4520 39.61368 9.141162 53.18032 5.977164 -13.56664 
10.92187 
1 1 1 -18 -7  14 o 112.3139 4.748314  2738.430       189.8976 2676.483       
387.2484 2758.043       217.8948 110.6926 8.332820 113.9353 4.555223 -3.242653 
9.496629 
1 1 1 -18 -7  15 o 58.49540 5.012019  701.8431       106.7112 827.7955       
220.2691 663.2163       121.9816 61.29339 8.559750 55.69741 5.216514 5.595985 
10.02404 
1 1 1 -18 -7  16 o 50.63246 4.473838  550.1879       94.05637 590.3464       
146.0565 521.7347       122.9417 52.10642 6.676528 49.15851 5.956918 2.947910 
8.947676 
1 1 1 -18 -7  17 o 25.93007 6.121410  51.40602       96.25719 312.2528       
152.9342 -119.7184      123.8705 36.26719 9.808075 15.59296 7.327232 20.67424 
12.24282 
1 1 1 -18 -7  18 o 20.73039 6.252522  23.58711       92.67181 17.05884       
156.2047 27.13288       115.1199 21.83794 9.402807 19.62285 8.243988 2.215092 
12.50504 
1 1 1 -18 -7  19 o 38.53764 5.642224  330.7538       86.58060 448.9200       
142.4543 261.5347       109.0289 43.79275 8.049126 33.28253 7.908878 10.51022 
11.28445 
1 1 1 -18 -7  20 o 46.40012 4.193933  477.7440       81.35181 534.7952       
116.6253 423.6766       113.5346 49.21686 5.644168 43.58338 6.204811 5.633484 
8.387867 
1 1 1 -18 -7  21 o 77.62814 3.246978  1316.614       105.5032 1298.809       
154.6247 1332.123       144.3162 77.01054 4.782444 78.24575 4.393143 -1.235207 
6.493957 
1 1 1 -18 -7  22 o 15.04053 5.034436  -109.8379      85.15486 -106.2226      
120.0904 -113.4940      120.7667 15.10136 7.130621 14.97971 7.108898 0.1216450 
10.06887 
1 1 1 -18 -7  23 o 65.85275 3.748000  966.8033       103.1118 895.4551       
137.7147 1057.833       155.5538 63.20042 5.190168 68.50507 5.408527 -5.304646 
7.496000 
1 1 1 -18 -7  24 o 84.88358 3.545890  1619.757       125.8424 1430.904       
173.2329 1830.767       183.1139 79.44772 5.193619 90.31942 4.829044 -10.87170 
7.091780 
1 1 1 -18 -7  25 o 20.93545 6.124591  84.45470       92.58746 144.2569       
121.1434 0.4587774      143.5721 23.36289 8.897883 18.50802 8.418441 4.854872 
12.24918 
1 1 1 -18 -6  1  f 115.8300 4.312814  2816.769       206.4506 2970.311       
325.3619 2713.284       267.1111 118.3764 6.546702 113.2837 5.616241 5.092728 
8.625628 
1 1 1 -18 -6  2  o 100.2271 4.575354  2130.864       192.4074 2048.417       
272.3930 2212.964       271.8183 98.27085 6.602256 102.1834 6.336061 -3.912575 
9.150707 
1 1 1 -18 -6  3  o 138.1240 4.404257  4074.592       232.6568 3968.735       
425.7631 4119.658       277.8013 136.5531 7.426555 139.6949 4.736686 -3.141815 
8.808514 
1 1 1 -18 -6  4  o 120.4196 4.317038  3000.167       194.0749 3236.923       
378.9242 2915.976       225.9622 123.3050 7.319691 117.5342 4.579232 5.770767 
8.634075 
1 1 1 -18 -6  5  o 117.9434 3.693853  2948.663       171.7698 2921.871       
298.8846 2961.876       209.8947 117.3906 6.064449 118.4962 4.219081 -1.105682 
7.387705 
1 1 1 -18 -6  6  o 31.64585 6.046090  229.8146       85.54751 133.2054       
134.5477 295.3726       110.8357 26.70638 9.505548 36.58533 7.474316 -9.878950 
12.09218 
1 1 1 -18 -6  7  o 29.99753 7.057654  189.3324       100.1946 119.7618       
192.4727 215.1931       117.3484 28.76888 11.14941 31.22618 8.656359 -2.457310 
14.11531 
1 1 1 -18 -6  8  o 123.3282 7.220465  3237.816       373.8577 3237.816       
373.8577 0.000000       0.000000 123.3282 7.220465 ?        ?        ? ? 
1 1 1 -18 -6  9  o 102.9203 4.122599  2251.750       164.3087 2225.882       
295.3668 2263.342       197.7264 102.3020 6.876991 103.5387 4.548657 -1.236618 
8.245198 
1 1 1 -18 -6  10 o 70.89725 4.705058  1090.028       123.2886 1024.076       
236.0272 1114.775       144.5807 69.16515 8.128228 72.62934 4.741538 -3.464188 
9.410115 
1 1 1 -18 -6  11 o 25.87938 7.168678  87.32748       102.8511 118.7526       
198.7452 75.83332       120.1978 28.89565 11.30257 22.86312 8.821092 6.032532 
14.33736 
1 1 1 -18 -6  12 o 44.25011 6.179014  386.6017       109.2759 636.1206       
189.7811 262.8436       133.6559 54.29179 8.326066 34.20842 9.132221 20.08337 
12.35803 
1 1 1 -18 -6  13 o 92.78198 3.869177  1866.626       144.2696 1708.325       
235.7586 1961.391       182.4105 89.37033 6.283409 96.19364 4.516736 -6.823311 
7.738354 
1 1 1 -18 -6  14 o 83.15276 4.185817  1463.806       133.7591 1519.438       
246.3688 1440.554       159.2782 83.94849 6.990269 82.35703 4.606560 1.591469 
8.371634 
1 1 1 -18 -6  15 o 50.11945 5.905096  597.3576       104.8376 477.3477       
196.3153 645.2369       123.9995 45.30022 10.51564 54.93868 5.376046 -9.638458 
11.81019 
1 1 1 -18 -6  16 o 76.27718 3.828821  1232.415       119.1980 1314.478       
195.2576 1183.666       150.4943 78.10468 5.954592 74.44968 4.814801 3.654991 
7.657641 
1 1 1 -18 -6  17 o 126.9698 4.203020  3446.878       212.1802 3632.810       
367.7266 3354.079       259.7890 128.9041 6.794844 125.0355 4.948898 3.868561 
8.406039 
1 1 1 -18 -6  18 o 27.30778 6.335284  137.7255       89.49972 278.4375       
140.8774 42.49841       115.8927 34.20219 9.485618 20.41337 8.400378 13.78881 
12.67057 
1 1 1 -18 -6  19 o 99.67247 3.327161  2144.755       139.1822 2135.848       
194.1859 2154.164       199.5920 99.49269 4.648873 99.85224 4.761090 
-0.3595505     6.654322 
1 1 1 -18 -6  20 o 34.12331 5.642428  283.6304       79.75332 224.5813       
120.1754 330.1052       106.6148 30.46005 8.864730 37.78656 6.983162 -7.326508 
11.28486 
1 1 1 -18 -6  21 o 71.39673 3.597333  1110.440       106.7823 1343.665       
158.0663 914.6478       144.8268 78.41103 4.801569 64.38242 5.357999 14.02860 
7.194666 
1 1 1 -18 -6  22 o 55.28729 4.048107  675.6931       93.06493 561.7629       
124.5054 819.9453       140.0974 49.94442 5.937755 60.63017 5.503794 -10.68575 
8.096214 
1 1 1 -18 -6  23 o 52.18048 4.134598  614.4409       90.11375 653.9919       
135.8465 583.3609       120.4231 53.53672 6.043905 50.82424 5.643651 2.712486 
8.269196 
1 1 1 -18 -6  24 o 24.71917 6.325421  146.2121       86.42369 93.26839       
119.2101 204.8654       125.4734 21.65637 8.665419 27.78197 9.217068 -6.125597 
12.65084 
1 1 1 -18 -6  25 o 56.84598 4.272100  767.6304       100.8974 680.4567       
146.2758 846.7518       139.3564 53.19473 6.549756 60.49723 5.486716 -7.302505 
8.544200 
1 1 1 -18 -6  26 o 20.59838 6.077695  89.25867       89.45184 41.09378       
134.2086 127.7587       119.9902 19.04637 8.438661 22.15038 8.748857 -3.104019 
12.15539 
1 1 1 -18 -5  1  o 204.4601 7.294079  8991.685       624.3182 8902.928       
915.4854 9068.847       853.5984 203.3225 10.72475 205.5977 9.889093 -2.275192 
14.58816 
1 1 1 -18 -5  2  o 28.09979 6.934522  145.9311       101.7844 97.95369       
138.7708 201.7965       149.7444 25.14625 9.538967 31.05333 10.06770 -5.907078 
13.86904 
1 1 1 -18 -5  3  o 56.50056 4.182783  659.8703       95.22872 732.5088       
162.3817 621.7924       117.5684 58.75586 6.582743 54.24526 5.162381 4.510601 
8.365565 
1 1 1 -18 -5  4  o 47.87388 4.641711  482.3406       89.42035 501.2301       
150.8177 472.1006       111.0435 48.51777 7.404102 47.22999 5.600106 1.287781 
9.283422 
1 1 1 -18 -5  5  o 82.16438 3.562042  1464.865       117.0074 1292.296       
191.3966 1567.847       147.8539 78.10114 5.837111 86.22762 4.084204 -8.126488 
7.124085 
1 1 1 -18 -5  6  o 37.08915 6.241830  310.6932       93.07409 282.3673       
156.6016 326.1637       115.7327 35.67315 10.03620 38.50516 7.424047 -2.832016 
12.48366 
1 1 1 -18 -5  7  o 33.39542 6.252513  251.6259       89.36661 206.1819       
137.5757 284.7989       117.5425 30.96013 9.597961 35.83070 8.015911 -4.870567 
12.50503 
1 1 1 -18 -5  8  o 71.59443 4.317603  1104.865       118.0800 1042.288       
214.6724 1132.010       141.3905 69.96265 7.308547 73.22621 4.599120 -3.263565 
8.635205 
1 1 1 -18 -5  9  o 31.96255 8.422810  226.5343       114.6251 0.000000       
0.000000 226.5343       114.6251 ?        ?        31.96255 8.422810 ? ? 
1 1 1 -18 -5  10 o 163.7542 6.730955  5591.449       359.4438 6080.844       
847.4907 5484.105       396.9112 166.6820 12.11065 160.8264 5.878371 5.855576 
13.46191 
1 1 1 -18 -5  11 o 31.07616 7.323236  181.3432       99.30612 248.8382       
203.4382 160.2295       113.7832 34.65911 11.73635 27.49322 8.762260 7.165895 
14.64647 
1 1 1 -18 -5  12 o 53.83611 5.591805  679.6082       111.1086 500.3233       
186.9678 777.4903       138.1487 47.15495 9.772831 60.51727 5.437365 -13.36233 
11.18361 
1 1 1 -18 -5  13 o 42.56107 5.846969  409.7275       99.70951 349.8333       
156.5834 450.5790       129.3176 39.25819 9.573100 45.86395 6.715945 -6.605766 
11.69394 
1 1 1 -18 -5  14 o 89.58908 4.090894  1710.267       141.5296 1725.946       
256.7474 1703.423       169.6294 89.57726 6.826991 89.60090 4.509306 
-0.2364349E-01 8.181787 
1 1 1 -18 -5  15 f 42.79333 6.409513  394.6167       98.53947 444.3109       
204.1277 379.5178       112.5180 43.58247 11.11834 42.00418 6.380436 1.578289 
12.81903 
1 1 1 -18 -5  16 o 68.12964 4.268161  1040.973       114.4926 862.1165       
188.7061 1145.168       144.0317 62.96341 7.138694 73.29587 4.680580 -10.33246 
8.536322 
1 1 1 -18 -5  17 o 79.11063 3.969889  1356.700       128.1404 1311.809       
204.9931 1385.490       164.1673 77.77441 6.278032 80.44685 4.860699 -2.672440 
7.939778 
1 1 1 -18 -5  18 f 48.08311 4.333230  511.1991       85.99796 589.1026       
118.4884 424.4802       125.0127 52.20802 5.405796 43.95821 6.773841 8.249802 
8.666461 
1 1 1 -18 -5  19 o 81.03493 3.219838  1405.674       109.2486 1526.135       
161.7101 1304.531       148.1770 84.20268 4.574380 77.86719 4.532600 6.335495 
6.439675 
1 1 1 -18 -5  20 o 48.14542 4.417204  513.9138       88.78601 513.8778       
132.5514 513.9431       119.5738 48.00503 6.576863 48.28582 5.898444 
-0.2807884     8.834408 
1 1 1 -18 -5  21 o 46.79131 4.908344  497.9029       93.02287 609.5488       
137.3898 403.3974       126.4042 52.18179 6.271285 41.40084 7.552373 10.78096 
9.816688 
1 1 1 -18 -5  22 f 40.79977 5.199320  396.8342       85.73065 313.7388       
122.8976 475.5966       119.6505 35.70551 8.340851 45.89404 6.209825 -10.18853 
10.39864 
1 1 1 -18 -5  23 o 26.95668 6.489915  181.5662       87.97008 184.1586       
125.1753 179.0364       123.6556 27.10929 9.206110 26.80408 9.150056 0.3052044 
12.97983 
1 1 1 -18 -5  24 o 19.15654 5.665854  39.55794       76.66026 89.63501       
115.8691 0.5728264      102.2345 21.47894 8.561336 16.83414 7.423687 4.644804 
11.33171 
1 1 1 -18 -5  25 o 23.55893 6.072804  111.8391       88.02453 242.1677       
127.0991 -8.294499      122.0267 29.59708 9.235333 17.52077 7.888246 12.07630 
12.14561 
1 1 1 -18 -5  26 o 44.35911 5.885224  546.1189       105.2970 307.1137       
147.4106 795.1187       150.4611 31.47014 9.967649 57.24808 6.260146 -25.77794 
11.77045 
1 1 1 -18 -4  1  o 147.7605 5.217165  4631.003       321.9774 4559.505       
432.4268 4719.959       482.3409 146.5659 7.027499 148.9550 7.712942 -2.389130 
10.43433 
1 1 1 -18 -4  2  o 36.86820 5.596559  346.7556       84.54493 133.2651       
144.7101 457.3898       104.1728 27.21348 9.840739 46.52293 5.333452 -19.30945 
11.19312 
1 1 1 -18 -4  3  o 82.14503 3.588228  1398.374       117.6595 1512.220       
203.8236 1341.477       144.0919 84.53180 5.743218 79.75826 4.303133 4.773537 
7.176455 
1 1 1 -18 -4  4  o 92.89150 3.392287  1765.921       124.4927 1987.120       
222.1080 1664.594       150.3260 96.92070 5.458443 88.86230 4.029375 8.058395 
6.784575 
1 1 1 -18 -4  5  o 64.93752 4.069450  885.5642       102.0546 912.4319       
186.2801 874.0414       121.9913 65.52480 6.771451 64.35024 4.515435 1.174561 
8.138901 
1 1 1 -18 -4  6  o 156.9772 4.314886  5218.506       264.6021 5245.557       
470.0989 5205.962       320.1287 156.9829 7.132765 156.9714 4.857637 
0.1148987E-01  8.629772 
1 1 1 -18 -4  7  o 77.58652 3.420978  1338.402       104.7685 1037.984       
168.3195 1528.406       133.8605 70.00677 5.726844 85.16628 3.743742 -15.15950 
6.841955 
1 1 1 -18 -4  8  o 66.43704 3.715225  948.2856       94.03252 897.5057       
171.9638 969.9457       112.3107 65.04099 6.297542 67.83309 3.943672 -2.792107 
7.430449 
1 1 1 -18 -4  9  o 132.0538 4.070704  3644.140       190.8611 3787.326       
398.3225 3601.468       217.4495 133.4039 7.111928 130.7037 3.962703 2.700226 
8.141408 
1 1 1 -18 -4  10 o 165.0540 5.433040  5532.239       300.6461 6298.619       
692.6523 5354.336       333.7217 170.9645 9.650067 159.1434 4.994785 11.82109 
10.86608 
1 1 1 -18 -4  11 o 125.3447 9.195490  3385.173       483.9045 3385.173       
483.9045 0.000000       0.000000 125.3447 9.195490 ?        ?        ? ? 
1 1 1 -18 -4  12 o 33.01974 6.975534  259.4372       104.0833 93.60465       
213.4622 311.1612       119.2154 28.63402 11.53804 37.40546 7.842564 -8.771442 
13.95107 
1 1 1 -18 -4  13 o 112.4892 4.418652  2744.879       197.3162 2559.195       
332.7274 2845.604       245.0576 109.1816 7.258724 115.7968 5.040720 -6.615273 
8.837303 
1 1 1 -18 -4  14 o 35.17360 6.408096  268.8566       93.08489 337.1269       
153.3597 229.0335       117.1286 38.45930 9.533536 31.88791 8.565422 6.571388 
12.81619 
1 1 1 -18 -4  15 o 22.34711 6.775421  17.14722       102.6197 -3.792160      
200.9265 24.53675       119.3614 24.47193 10.60198 20.22229 8.439387 4.249641 
13.55084 
1 1 1 -18 -4  16 o 54.31932 5.146158  606.7075       104.3767 719.8824       
207.3726 568.3075       120.7931 57.14420 8.643710 51.49445 5.587311 5.649750 
10.29232 
1 1 1 -18 -4  17 o 82.45268 3.708543  1444.800       119.6145 1495.906       
213.2424 1421.337       144.4862 83.19356 6.105270 81.71180 4.211750 1.481758 
7.417086 
1 1 1 -18 -4  18 o 105.5713 3.296803  2390.548       145.9662 2489.926       
205.0909 2288.537       207.7905 107.8575 4.529154 103.2852 4.791911 4.572334 
6.593606 
1 1 1 -18 -4  19 o 62.44915 3.581317  842.9144       93.81247 888.8392       
133.4270 798.0162       131.9274 64.17078 4.952534 60.72751 5.174527 3.443272 
7.162634 
1 1 1 -18 -4  20 o 35.13845 5.563970  290.4781       80.12601 302.5019       
113.6617 278.5998       112.9720 35.91591 7.758154 34.36099 7.977599 1.554924 
11.12794 
1 1 1 -18 -4  21 o 36.32871 5.717990  316.1028       84.48732 311.7835       
127.9341 319.4435       112.5123 35.83188 8.600638 36.82554 7.537284 
-0.9936600     11.43598 
1 1 1 -18 -4  22 o 36.42459 5.607862  313.5003       85.84521 426.3847       
126.8927 218.2351       116.5701 43.13272 7.007301 29.71646 8.757293 13.41626 
11.21572 
1 1 1 -18 -4  23 o 26.61575 6.271374  175.6793       83.22897 139.4518       
126.8862 203.0367       110.2636 24.74522 9.181374 28.48628 8.545343 -3.741062 
12.54275 
1 1 1 -18 -4  24 o 20.43520 5.911353  51.89204       83.69373 126.3612       
122.7083 -12.88507      114.4449 23.63685 8.968898 17.23355 7.702936 6.403305 
11.82271 
1 1 1 -18 -4  25 o 25.17613 6.187625  156.1882       85.56374 73.36275       
122.6732 234.6576       119.4038 20.76188 8.603116 29.59038 8.895686 -8.828505 
12.37525 
1 1 1 -18 -4  26 o 24.60863 6.126912  158.1782       89.29361 32.90480       
135.6200 254.0422       118.6375 19.19313 8.495935 30.02414 8.830361 -10.83101 
12.25382 
1 1 1 -18 -4  27 f 28.03612 6.588073  222.5881       95.40481 362.4715       
147.6376 122.2925       125.0129 34.19366 9.785041 21.87858 8.824048 12.31507 
13.17615 
1 1 1 -18 -3  1  o 64.87628 4.705979  884.5344       127.4933 771.3568       
172.0830 1022.253       189.8255 60.30244 6.797107 69.45012 6.510323 -9.147678 
9.411959 
1 1 1 -18 -3  2  o 93.10593 3.783986  1827.928       135.9254 1842.594       
247.2714 1821.578       162.7145 93.24959 6.316086 92.96227 4.169083 0.2873230 
7.567971 
1 1 1 -18 -3  3  o 80.38763 3.487355  1347.756       111.2335 1416.309       
193.8985 1314.129       135.8018 81.81771 5.644796 78.95756 4.096687 2.860153 
6.974710 
1 1 1 -18 -3  4  o 71.58701 4.149026  1052.841       117.3903 1181.261       
209.0992 993.7368       141.8548 74.58561 6.677570 68.58839 4.926228 5.997215 
8.298052 
1 1 1 -18 -3  5  o 70.77974 3.517121  1069.808       101.5231 1009.095       
161.7292 1109.290       130.4208 69.04452 5.579309 72.51497 4.283908 -3.470451 
7.034242 
1 1 1 -18 -3  6  o 100.7362 4.017196  2174.969       154.6845 2085.459       
282.2000 2213.414       184.9435 99.04761 6.786316 102.4248 4.300856 -3.377213 
8.034391 
1 1 1 -18 -3  7  o 37.63426 5.636607  307.0561       83.41750 336.2864       
140.4201 291.1149       103.6985 38.86641 8.807627 36.40211 7.036411 2.464306 
11.27321 
1 1 1 -18 -3  8  o 212.3221 6.261766  9576.693       452.1701 9811.462       
995.4733 9515.664       507.5508 212.6614 11.14967 211.9828 5.702956 0.6785736 
12.52353 
1 1 1 -18 -3  9  o 26.36261 5.998235  151.0138       73.79396 76.51981       
143.6548 177.7175       86.00933 24.37288 9.589848 28.35235 7.207643 -3.979479 
11.99647 
1 1 1 -18 -3  10 o 126.3604 4.044858  3425.485       170.7671 3311.167       
380.3471 3454.347       191.1123 124.6688 7.266803 128.0520 3.554867 -3.383209 
8.089716 
1 1 1 -18 -3  11 o 162.1008 5.095611  5461.507       307.0584 5913.546       
603.5374 5303.639       356.6690 165.9471 8.662748 158.2545 5.368221 7.692566 
10.19122 
1 1 1 -18 -3  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -3  13 o 28.87052 6.951777  171.5179       99.89024 147.2567       
161.2703 186.6195       127.2360 28.36446 10.37556 29.37658 9.255081 -1.012119 
13.90355 
1 1 1 -18 -3  14 o 51.46645 5.229493  565.8854       112.2411 613.3346       
171.0785 530.0262       148.7243 53.29799 7.645497 49.63492 7.137000 3.663063 
10.45899 
1 1 1 -18 -3  15 o 47.92150 5.994352  521.4172       108.5508 477.7482       
190.8723 542.2928       131.9704 45.56534 10.22941 50.27766 6.252050 -4.712318 
11.98870 
1 1 1 -18 -3  16 o 80.04529 4.330312  1381.997       132.4582 1366.424       
243.1527 1388.568       157.9523 79.32401 7.301221 80.76656 4.658172 -1.442558 
8.660624 
1 1 1 -18 -3  17 o 124.1152 3.471801  3287.508       180.7039 3185.823       
248.4725 3401.673       263.2776 122.1097 4.846735 126.1207 4.972201 -4.010979 
6.943603 
1 1 1 -18 -3  18 o 101.5347 3.276185  2206.532       139.6144 2136.972       
196.7716 2277.053       198.1246 99.89842 4.691641 103.1709 4.574063 -3.272514 
6.552370 
1 1 1 -18 -3  19 o 38.21368 5.412943  335.5806       83.68993 340.9864       
121.6470 330.7227       115.3174 38.44835 7.807833 37.97902 7.499169 0.4693336 
10.82589 
1 1 1 -18 -3  20 o 18.07177 5.606235  -11.48219      82.02268 -29.07173      
117.9427 4.993035       114.1457 17.58864 7.841815 18.55490 8.014075 
-0.9662514     11.21247 
1 1 1 -18 -3  21 o 27.68888 6.125570  175.6711       80.21507 237.1975       
120.9271 127.3266       107.1930 31.25333 8.827853 24.12443 8.494672 7.128901 
12.25114 
1 1 1 -18 -3  22 o 58.54394 3.806011  748.9602       92.76073 817.3238       
142.7044 698.9398       122.0670 60.71470 5.598407 56.37318 5.157588 4.341522 
7.612021 
1 1 1 -18 -3  23 o 26.96534 6.365526  161.6655       83.82985 255.6806       
138.4476 107.2447       105.3342 31.47211 9.602526 22.45858 8.358898 9.013525 
12.73105 
1 1 1 -18 -3  24 o 29.96834 5.874918  232.9317       81.22428 140.0251       
120.9625 309.2200       109.6115 24.42949 8.981011 35.50718 7.576283 -11.07769 
11.74984 
1 1 1 -18 -3  25 o 27.63964 6.448680  200.3074       86.99872 232.1558       
127.7730 172.7811       118.7873 29.37625 9.277512 25.90303 8.959334 3.473221 
12.89736 
1 1 1 -18 -3  26 o 18.83885 5.867284  13.22507       89.98464 86.67994       
140.1288 -38.32088      117.3855 21.51103 9.069084 16.16666 7.446596 5.344364 
11.73457 
1 1 1 -18 -3  27 o 48.35981 5.380007  623.4914       102.1177 522.2333       
155.7274 699.8801       135.2586 42.88869 8.941998 53.83093 5.984862 -10.94224 
10.76001 
1 1 1 -18 -2  1  f 139.8840 4.773976  4150.970       280.3625 4162.745       
397.8586 4139.355       395.1404 140.0781 6.765183 139.6900 6.737631 0.3881378 
9.547952 
1 1 1 -18 -2  2  o 46.39486 5.094103  429.0252       93.49065 629.0118       
159.0105 323.3676       115.5782 54.42376 6.959185 38.36597 7.441054 16.05779 
10.18821 
1 1 1 -18 -2  3  o 166.3615 4.455376  5763.397       274.5642 6090.423       
540.0380 5649.398       318.8486 169.1134 7.606192 163.6096 4.641910 5.503769 
8.910751 
1 1 1 -18 -2  4  o 260.0284 7.098548  14529.28       727.7086 14674.79       
1269.833 14458.12       887.9874 259.8485 11.63985 260.2083 8.128433 
-0.3597107     14.19710 
1 1 1 -18 -2  5  o 201.9254 6.456362  8713.419       484.1734 8833.639       
937.0240 8669.629       565.5187 201.8347 11.05798 202.0161 6.667790 
-0.1814423     12.91272 
1 1 1 -18 -2  6  o 50.89378 4.161816  553.3676       87.98472 511.7434       
131.2903 587.3010       118.5423 49.10128 6.368846 52.68628 5.359164 -3.584999 
8.323631 
1 1 1 -18 -2  7  o 168.4689 5.166522  6106.570       319.2656 5914.607       
623.2501 6174.864       371.7444 166.0534 8.939959 170.8843 5.181594 -4.830872 
10.33304 
1 1 1 -18 -2  8  o 133.7565 3.606917  3848.655       179.1417 3637.108       
341.4296 3929.013       210.4333 130.9509 6.210319 136.5622 3.670331 -5.611313 
7.213833 
1 1 1 -18 -2  9  o 73.73112 3.584736  1068.393       93.55596 1302.882       
203.3890 1005.464       105.3645 78.37734 6.180990 69.08491 3.632723 9.292435 
7.169471 
1 1 1 -18 -2  10 o 83.82890 3.817658  1545.775       107.9205 1388.431       
232.9104 1588.792       121.7828 80.79549 6.866302 86.86231 3.339456 -6.066826 
7.635317 
1 1 1 -18 -2  11 o 109.5050 3.764122  2361.190       127.3309 2809.933       
329.6335 2282.489       138.0458 114.8915 6.833836 104.1185 3.158030 10.77296 
7.528244 
1 1 1 -18 -2  12 o 152.5500 4.879194  4442.130       166.5351 5624.429       
631.7729 4353.844       172.6410 161.2860 9.330080 143.8140 2.859328 17.47206 
9.758389 
1 1 1 -18 -2  13 o 52.36540 5.886989  583.6904       129.4245 0.000000       
0.000000 583.6904       129.4245 ?        ?        52.36540 5.886989 ? ? 
1 1 1 -18 -2  14 o 43.99373 10.26214  442.3739       186.2487 442.3739       
186.2487 0.000000       0.000000 43.99373 10.26214 ?        ?        ? ? 
1 1 1 -18 -2  15 o 29.38913 7.054536  39.22371       104.3816 412.3510       
218.8371 -70.66966      118.7622 42.05517 11.87445 16.72308 7.619925 25.33209 
14.10907 
1 1 1 -18 -2  16 f 88.85779 4.116383  1685.320       138.8815 1710.092       
259.5293 1675.380       164.4013 88.91888 6.952060 88.79670 4.409908 0.1221848 
8.232765 
1 1 1 -18 -2  17 o 111.1421 3.331335  2632.154       155.3434 2721.639       
224.6970 2550.224       215.0012 112.9390 4.738865 109.3452 4.683411 3.593811 
6.662671 
1 1 1 -18 -2  18 o 24.59845 5.675286  77.36862       83.36762 -78.64822      
113.9684 256.9359       122.2679 15.90793 7.331214 33.28897 8.665378 -17.38104 
11.35057 
1 1 1 -18 -2  19 o 67.37584 3.599173  979.1644       101.7458 938.2725       
143.6247 1020.360       144.1575 65.92825 5.188940 68.82344 4.989097 -2.895195 
7.198346 
1 1 1 -18 -2  20 o 54.13490 4.125461  641.8872       92.90287 536.3455       
129.1344 755.1196       133.7565 49.36183 6.231200 58.90798 5.408314 -9.546150 
8.250921 
1 1 1 -18 -2  21 f 57.90630 3.946351  745.2263       94.44253 668.3069       
141.5712 806.9069       126.7743 54.91175 6.140881 60.90086 4.958257 -5.989105 
7.892701 
1 1 1 -18 -2  22 o 34.25349 5.854684  287.4599       82.73589 264.6394       
127.7843 303.9317       108.5638 32.68150 9.022354 35.82548 7.463675 -3.143986 
11.70937 
1 1 1 -18 -2  23 o 24.87065 6.257246  140.2459       85.90707 73.28586       
128.8880 193.7729       115.2368 21.76530 8.891275 27.97601 8.806686 -6.210711 
12.51449 
1 1 1 -18 -2  24 o 33.66033 6.128748  289.6957       88.01526 239.8949       
125.0564 338.5768       123.8964 30.47699 9.092040 36.84366 8.220768 -6.366671 
12.25750 
1 1 1 -18 -2  25 o 43.08688 5.588342  459.8444       97.74292 448.5229       
148.0692 468.5877       130.1221 41.70911 8.736812 44.46464 6.970394 -2.755527 
11.17668 
1 1 1 -18 -2  26 o 17.58735 5.618821  -19.24421      91.09367 -105.7644      
143.1691 39.60736       118.0781 16.21673 7.716897 18.95797 8.169093 -2.741243 
11.23764 
1 1 1 -18 -2  27 o 34.83150 6.110450  363.9308       98.27702 210.4064       
150.7980 477.2800       129.5735 26.21721 9.944180 43.44578 7.103780 -17.22857 
12.22090 
1 1 1 -18 -1  1  o 100.3886 4.449036  2158.509       184.0271 2001.924       
283.0667 2273.140       242.1944 97.09860 6.943794 103.6785 5.564117 -6.579933 
8.898071 
1 1 1 -18 -1  2  o 45.88163 5.613106  463.7733       98.50449 436.2658       
170.6203 477.5257       120.6409 44.28164 9.455297 47.48162 6.051876 -3.199986 
11.22621 
1 1 1 -18 -1  3  o 108.0933 3.536431  2507.659       152.8576 2333.863       
254.0761 2606.249       191.3635 104.9989 5.763683 111.1876 4.099432 -6.188744 
7.072863 
1 1 1 -18 -1  4  o 137.2290 3.814950  3961.363       210.9235 4062.021       
353.7617 3905.843       262.7305 138.4314 6.086915 136.0266 4.600528 2.404770 
7.629900 
1 1 1 -18 -1  5  o 84.69753 3.725002  1510.237       128.0728 1544.548       
210.8966 1490.191       161.2014 85.37778 5.883635 84.01728 4.570054 1.360497 
7.450004 
1 1 1 -18 -1  6  o 150.3943 4.841862  4893.646       283.5815 4575.759       
496.8660 5047.224       345.3549 146.3296 8.087758 154.4590 5.325661 -8.129364 
9.683723 
1 1 1 -18 -1  7  o 132.7168 3.666115  3744.787       184.7807 3676.454       
343.0099 3772.725       219.3256 131.6502 6.205922 133.7833 3.904885 -2.133179 
7.332230 
1 1 1 -18 -1  8  o 69.14944 3.648663  1008.565       100.5449 1018.562       
172.0574 1003.381       123.9017 69.33214 5.910984 68.96674 4.279162 0.3653946 
7.297325 
1 1 1 -18 -1  9  o 27.79693 6.127965  164.9612       74.07695 140.4615       
145.4115 173.5476       86.08471 27.56477 9.874752 28.02908 7.259276 
-0.4643097     12.25593 
1 1 1 -18 -1  10 o 32.21103 5.934067  196.5209       73.34714 318.4501       
147.2916 156.3154       84.57994 37.75371 9.333487 26.66835 7.330663 11.08536 
11.86813 
1 1 1 -18 -1  11 o 121.3421 4.036338  3062.073       158.6356 3214.991       
375.5607 3028.865       175.0150 122.7815 7.285647 119.9027 3.476701 2.878815 
8.072677 
1 1 1 -18 -1  12 o 38.36420 5.367158  286.0532       72.95331 410.9229       
154.3168 250.1134       82.78893 42.92287 8.865567 33.80552 6.052048 9.117348 
10.73432 
1 1 1 -18 -1  13 o 106.4937 3.341086  2322.008       118.6459 2535.479       
273.0840 2272.337       131.7281 109.1331 5.960199 103.8543 3.021169 5.278839 
6.682173 
1 1 1 -18 -1  14 o 104.7833 4.656328  2279.185       183.0712 2515.456       
355.9021 2194.176       213.4796 107.9218 7.854935 101.6449 5.002554 6.276863 
9.312655 
1 1 1 -18 -1  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 -1  16 o 72.68600 3.626213  1131.812       109.3345 1093.858       
166.4182 1160.634       145.0248 71.51163 5.543005 73.86036 4.676833 -2.348724 
7.252425 
1 1 1 -18 -1  17 o 57.84459 4.006017  703.7873       94.18453 990.7574       
143.9414 488.9370       124.5476 68.08497 5.035650 47.60420 6.231766 20.48077 
8.012033 
1 1 1 -18 -1  18 o 36.21841 5.694646  304.6982       87.30466 402.4263       
120.4170 196.3995       126.7621 42.97893 6.673494 29.45790 9.229326 13.52102 
11.38929 
1 1 1 -18 -1  19 o 76.37428 3.412904  1252.627       109.3763 1226.931       
151.7356 1280.420       157.8056 75.57577 4.782181 77.17281 4.870565 -1.597038 
6.825809 
1 1 1 -18 -1  20 o 46.14716 4.807919  476.1821       90.08341 392.9890       
124.1022 568.8367       130.9693 41.38658 7.410399 50.90773 6.127832 -9.521149 
9.615838 
1 1 1 -18 -1  21 o 119.7876 3.599529  3088.066       177.3576 3303.568       
284.2346 2950.659       226.9631 122.7986 5.513209 116.7765 4.629358 6.022095 
7.199058 
1 1 1 -18 -1  22 o 26.41342 6.185133  154.5543       80.70923 223.7149       
124.6121 104.5763       105.9303 30.19575 9.089633 22.63110 8.390594 7.564650 
12.37027 
1 1 1 -18 -1  23 o 71.55879 3.637081  1121.146       105.4455 770.5643       
141.9687 1552.517       157.4795 58.72383 5.758365 84.39375 4.444621 -25.66991 
7.274161 
1 1 1 -18 -1  24 o 60.71543 4.425684  841.6623       110.9622 840.8322       
172.4866 842.2484       144.9337 60.23030 6.821210 61.20055 5.640728 
-0.9702492     8.851368 
1 1 1 -18 -1  25 o 47.63449 5.249249  534.6653       103.8574 610.3210       
161.9584 481.8266       135.3501 50.24030 7.678426 45.02868 7.159627 5.211620 
10.49850 
1 1 1 -18 -1  26 o 41.72203 5.964220  488.7463       102.7575 258.6711       
154.9991 669.1604       137.2555 29.94453 10.24428 53.49952 6.110841 -23.55499 
11.92844 
1 1 1 -18 -1  27 o 34.94547 6.593264  353.2188       97.88944 370.2137       
148.7663 340.2415       129.9974 35.20906 9.741444 34.68188 8.887563 0.5271797 
13.18653 
1 1 1 -18 0   1  o 57.13935 3.739264  687.8865       88.67575 704.5333       
136.8177 675.8282       116.4443 57.70598 5.647321 56.57273 4.902666 1.133255 
7.478528 
1 1 1 -18 0   2  o 38.97234 5.233134  329.0854       82.17066 330.0400       
130.1278 328.4524       105.9709 38.59304 8.270450 39.35164 6.414237 
-0.7585945     10.46627 
1 1 1 -18 0   3  o 170.9249 4.244448  6173.183       288.1490 6243.837       
496.5595 6137.312       353.8136 171.4045 6.900334 170.4453 4.944366 0.9592133 
8.488896 
1 1 1 -18 0   4  o 186.1408 4.425142  7328.410       322.9922 7409.375       
570.6188 7290.239       391.8006 186.5517 7.285645 185.7300 5.024629 0.8216095 
8.850284 
1 1 1 -18 0   5  o 54.62859 4.376585  635.8908       97.78775 619.8731       
155.9895 646.2607       125.5120 53.99240 6.881512 55.26479 5.409511 -1.272381 
8.753171 
1 1 1 -18 0   6  o 117.9945 3.716852  2930.646       171.6624 2984.274       
304.9438 2905.768       207.6971 118.6220 6.123162 117.3671 4.215073 1.254822 
7.433704 
1 1 1 -18 0   7  o 202.5631 5.724842  8886.847       433.4492 8494.602       
818.4405 9039.750       510.9953 198.5807 9.816826 206.5454 5.892809 -7.964691 
11.44968 
1 1 1 -18 0   8  o 164.6727 5.188154  5655.628       301.3786 5998.252       
637.2703 5556.924       342.0463 167.1938 9.078717 162.1516 5.024405 5.042175 
10.37631 
1 1 1 -18 0   9  o 70.33553 3.806095  977.1311       90.63210 1167.462       
208.7041 932.8960       100.6144 74.12408 6.706450 66.54697 3.601245 7.577103 
7.612190 
1 1 1 -18 0   10 o 147.2130 4.442840  4488.516       207.0661 4771.931       
505.9735 4431.501       226.9403 149.4137 8.066005 145.0124 3.727584 4.401276 
8.885680 
1 1 1 -18 0   11 o 86.54639 3.925963  1635.950       116.2438 1501.674       
247.4216 1673.985       131.6819 83.95879 7.019278 89.13398 3.518875 -5.175194 
7.851926 
1 1 1 -18 0   12 o 85.23060 3.650253  1520.827       101.9951 1567.693       
236.6979 1510.141       113.0271 85.78961 6.571745 84.67159 3.179551 1.118027 
7.300506 
1 1 1 -18 0   13 o 101.0168 2.965098  2188.534       112.1963 2086.342       
211.3837 2228.615       132.3826 99.18819 5.076128 102.8454 3.065966 -3.657204 
5.930196 
1 1 1 -18 0   14 o 59.34521 3.293992  722.6276       76.01532 810.7984       
139.6778 685.5247       90.60842 61.73381 5.389214 56.95662 3.789182 4.777195 
6.587984 
1 1 1 -18 0   15 o 101.8049 4.774395  2075.730       114.4045 2423.072       
401.7284 2045.075       119.3464 105.1268 9.102066 98.48305 2.886482 6.643784 
9.548790 
1 1 1 -18 0   16 o 60.72352 5.358842  787.6027       136.6177 0.000000       
0.000000 787.6027       136.6177 ?        ?        60.72352 5.358842 ? ? 
1 1 1 -18 0   17 o 104.5847 3.220932  2315.752       138.9897 2403.882       
219.4537 2256.723       179.6034 106.1084 4.926224 103.0609 4.150895 3.047523 
6.441864 
1 1 1 -18 0   18 o 68.84322 3.506243  1010.171       100.9536 960.5770       
135.8007 1071.436       150.9355 66.99976 4.827805 70.68666 5.085986 -3.686897 
7.012486 
1 1 1 -18 0   19 o 24.14608 6.259626  105.4362       85.10442 55.15992       
116.9982 161.9285       124.0201 21.12674 8.530024 27.16542 9.163534 -6.038685 
12.51925 
1 1 1 -18 0   20 o 61.63589 3.752483  798.4262       95.17304 957.6117       
154.5144 701.1115       120.8108 66.33806 5.547881 56.93371 5.054258 9.404346 
7.504966 
1 1 1 -18 0   21 o 28.40851 5.965839  175.8081       81.76970 293.2401       
123.2188 83.39640       109.3068 35.02138 8.462462 21.79563 8.411401 13.22575 
11.93168 
1 1 1 -18 0   22 o 78.62886 3.506573  1348.254       114.7428 1364.308       
174.4402 1336.010       152.3378 78.84399 5.269860 78.41373 4.627396 0.4302673 
7.013146 
1 1 1 -18 0   23 o 20.41492 6.067389  38.47004       91.17902 -48.16795      
148.7744 90.58752       115.3894 18.76734 8.545265 22.06249 8.615758 -3.295156 
12.13478 
1 1 1 -18 0   24 o 29.98850 6.511419  209.5869       92.07052 342.2628       
147.6558 125.1838       117.7696 36.23562 9.564629 23.74138 8.838111 12.49424 
13.02284 
1 1 1 -18 0   25 o 42.93626 5.562213  438.9642       96.91017 579.9969       
150.2351 338.4619       126.8234 49.40928 7.242425 36.46325 8.443941 12.94603 
11.12443 
1 1 1 -18 0   26 o 25.76710 5.717869  129.7788       93.44214 -112.3149      
138.2147 333.5824       126.8144 15.89769 7.573203 35.63652 8.568705 -19.73883 
11.43574 
1 1 1 -18 0   27 o 24.36444 6.513982  158.6510       98.02619 61.49536       
152.5883 226.9248       127.9130 20.76582 9.117116 27.96307 9.306238 -7.197248 
13.02796 
1 1 1 -18 0   28 o 65.17908 4.314141  1038.416       116.9919 912.0864       
167.0005 1160.164       163.9449 60.55188 6.569182 69.80628 5.594024 -9.254406 
8.628283 
1 1 1 -18 1   1  o 26.45101 5.829085  124.6781       92.16446 -128.4100      
153.5018 267.3467       115.2502 18.18018 8.427738 34.72184 8.055194 -16.54166 
11.65817 
1 1 1 -18 1   2  o 82.87993 3.665593  1482.125       121.7205 1345.314       
199.9436 1562.684       153.4272 79.68272 5.976743 86.07713 4.245566 -6.394417 
7.331186 
1 1 1 -18 1   3  f 65.69252 3.811657  863.3096       96.33738 1037.770       
182.9573 796.3818       113.3194 69.94961 6.229963 61.43543 4.393458 8.514179 
7.623314 
1 1 1 -18 1   4  o 90.69720 3.529102  1748.546       127.9697 1704.923       
215.5521 1772.291       159.0282 89.72247 5.722319 91.67193 4.131985 -1.949455 
7.058203 
1 1 1 -18 1   5  o 261.6107 5.952832  14680.37       626.7588 14524.57       
1043.278 14768.35       784.0071 259.7943 9.565139 263.4270 7.088932 -3.632690 
11.90566 
1 1 1 -18 1   6  o 82.97891 3.255255  1446.079       111.0685 1491.463       
177.0618 1416.634       142.6170 84.00126 5.020654 81.95657 4.144848 2.044693 
6.510509 
1 1 1 -18 1   7  f 52.65630 4.311856  605.4245       85.00823 548.1649       
157.9343 628.7798       100.8659 50.72545 7.416031 54.58716 4.401238 -3.861706 
8.623713 
1 1 1 -18 1   8  o 78.73175 3.576718  1327.583       108.2858 1266.110       
195.3051 1354.868       130.1168 77.28619 6.019115 80.17731 3.865474 -2.891129 
7.153436 
1 1 1 -18 1   9  o 38.98068 5.504126  324.4629       76.97836 342.8749       
156.3506 318.5717       88.44018 39.16072 9.576323 38.80064 5.429148 0.3600807 
11.00825 
1 1 1 -18 1   10 o 45.19548 4.864688  422.8442       78.69606 479.8246       
158.2373 404.1195       90.70947 46.66557 8.381197 43.72539 4.941286 2.940178 
9.729377 
1 1 1 -18 1   11 o 132.6575 4.221202  3683.094       190.9669 3823.036       
421.2044 3646.885       214.2528 133.8102 7.497643 131.5048 3.880663 2.305359 
8.442405 
1 1 1 -18 1   12 o 61.50549 3.763573  781.0909       82.17145 841.3046       
172.9946 763.5473       93.37783 62.84222 6.556953 60.16877 3.696525 2.673443 
7.527146 
1 1 1 -18 1   13 o 98.29655 2.816884  2118.048       102.6568 1873.914       
192.5982 2214.931       121.3281 94.03571 4.878436 102.5574 2.817835 -8.521683 
5.633767 
1 1 1 -18 1   14 o 75.94452 3.254268  1302.049       89.20163 1062.768       
170.1396 1392.753       104.7530 70.61330 5.739048 81.27573 3.069916 -10.66243 
6.508537 
1 1 1 -18 1   15 o 145.7822 2.544384  4498.204       143.7381 4476.596       
258.6071 4507.863       172.9065 145.3337 4.238334 146.2307 2.816397 
-0.8970032     5.088768 
1 1 1 -18 1   16 o 71.37357 2.794643  1065.643       79.57109 1123.919       
137.2409 1036.132       97.66141 72.72594 4.494850 70.02120 3.322114 2.704742 
5.589285 
1 1 1 -18 1   17 o 87.03811 3.529079  1623.336       127.8820 1572.891       
191.9350 1663.607       171.4918 85.71206 5.333759 88.36416 4.622620 -2.652100 
7.058159 
1 1 1 -18 1   18 o 34.19633 8.400613  269.4646       119.8970 269.4646       
119.8970 0.000000       0.000000 34.19633 8.400613 ?        ?        ? ? 
1 1 1 -18 1   19 o 36.63969 5.674348  309.2209       84.92288 339.5336       
122.3868 281.0732       117.9351 38.46218 7.850835 34.81721 8.194956 3.644970 
11.34870 
1 1 1 -18 1   20 o 25.62726 6.133866  140.2138       85.20570 39.20440       
132.5400 211.3634       111.2379 21.24178 8.880786 30.01274 8.463387 -8.770960 
12.26773 
1 1 1 -18 1   21 o 36.81027 5.554455  321.5885       84.53741 248.7816       
125.0770 382.8193       114.7034 32.13839 8.945930 41.48216 6.586215 -9.343777 
11.10891 
1 1 1 -18 1   22 o 26.21225 6.455765  141.9527       90.43246 235.5753       
136.8352 69.35063       120.4985 30.91723 9.569563 21.50726 8.667818 9.409967 
12.91153 
1 1 1 -18 1   23 o 56.52331 4.595570  735.3651       105.5924 662.8424       
165.8513 784.8007       136.9308 53.54445 7.377776 59.50217 5.481375 -5.957722 
9.191139 
1 1 1 -18 1   24 o 21.62529 6.334084  36.55990       97.51153 154.1758       
151.0893 -47.40362      127.6574 26.00393 9.927270 17.24666 7.869674 8.757265 
12.66817 
1 1 1 -18 1   25 o 27.67778 6.212323  192.9073       96.87504 11.69301       
152.9059 314.4223       125.2111 20.29686 8.998154 35.05870 8.567675 -14.76184 
12.42465 
1 1 1 -18 1   26 o 43.96412 5.602073  479.7118       100.3243 579.2244       
147.2737 393.5501       137.0387 49.07024 7.148715 38.85800 8.627210 10.21224 
11.20415 
1 1 1 -18 1   27 o 33.51862 6.568755  325.4951       98.53099 250.1178       
143.1092 393.4303       135.8609 29.04421 9.843527 37.99302 8.700525 -8.948803 
13.13751 
1 1 1 -18 1   28 o 22.60301 6.481807  134.5907       95.97001 144.0746       
139.0864 125.9720       132.5907 23.02941 9.299522 22.17660 9.031842 0.8528099 
12.96361 
1 1 1 -18 2   1  o 86.03903 3.186068  1558.593       113.2250 1583.370       
177.3702 1541.553       147.0945 86.57462 4.879902 85.50343 4.097641 1.071190 
6.372135 
1 1 1 -18 2   2  o 112.1696 4.059419  2580.540       168.6796 2845.103       
335.0826 2490.741       195.2186 115.6791 6.899506 108.6601 4.279293 7.018974 
8.118837 
1 1 1 -18 2   3  o 185.4610 5.742841  7357.004       374.0740 7336.009       
783.2043 7363.208       425.7776 184.3848 10.11745 186.5371 5.436740 -2.152283 
11.48568 
1 1 1 -18 2   4  o 232.2396 6.068618  11713.41       566.6754 10950.47       
930.3066 12163.48       714.5317 225.4232 9.829887 239.0559 7.119396 -13.63268 
12.13724 
1 1 1 -18 2   5  o 211.5147 4.700439  9573.043       412.5025 9003.400       
622.0671 10020.12       551.0932 205.6365 7.205400 217.3929 6.038105 -11.75642 
9.400878 
1 1 1 -18 2   6  o 63.29796 3.983970  758.4935       98.38792 1109.024       
186.2510 622.8157       115.8751 72.31647 6.134545 54.27945 5.084822 18.03702 
7.967940 
1 1 1 -18 2   7  o 49.10480 4.675634  456.5098       90.61718 699.2543       
166.4434 354.2475       108.0313 57.34749 6.913107 40.86211 6.297235 16.48538 
9.351268 
1 1 1 -18 2   8  o 96.68484 3.754885  1959.557       133.1582 2013.871       
264.2398 1941.069       154.1638 97.39901 6.461967 95.97068 3.826177 1.428329 
7.509770 
1 1 1 -18 2   9  o 66.60475 3.439538  810.1311       84.42426 1219.574       
178.7714 692.6087       95.77708 75.89369 5.610655 57.31580 3.980231 18.57789 
6.879076 
1 1 1 -18 2   10 o 20.01444 5.720269  -80.62192      74.96313 160.5836       
148.7453 -162.7419      86.79089 28.71102 10.01648 11.31787 5.527754 17.39315 
11.44054 
1 1 1 -18 2   11 o 24.72259 6.133635  118.6337       71.40881 78.95101       
152.1678 129.8407       80.86597 24.93133 9.850741 24.51384 7.310869 0.4174881 
12.26727 
1 1 1 -18 2   12 o 110.8515 3.364847  2474.213       114.5769 2789.588       
295.0254 2418.198       124.3366 114.5176 6.136325 107.1854 2.763021 7.332138 
6.729693 
1 1 1 -18 2   13 o 53.67843 4.187300  691.1365       79.15567 460.8141       
146.3673 786.3426       94.10409 46.32046 7.526486 61.03640 3.672321 -14.71595 
8.374600 
1 1 1 -18 2   14 o 101.8998 3.173481  2231.022       115.2020 2141.990       
234.4962 2259.346       132.2634 100.2813 5.569768 103.5183 3.043291 -3.237091 
6.346962 
1 1 1 -18 2   15 o 85.58466 2.543502  1525.708       88.21345 1633.736       
147.3757 1465.395       110.1186 87.84115 3.996217 83.32816 3.147675 4.512985 
5.087004 
1 1 1 -18 2   16 o 34.40644 4.604431  242.2069       63.72074 359.3398       
105.4002 174.7353       79.99494 40.90545 6.137357 27.90744 6.865564 12.99801 
9.208861 
1 1 1 -18 2   17 o 76.15524 2.634051  1209.417       80.62723 1297.559       
137.3242 1163.049       99.60220 78.14189 4.185856 74.16860 3.198673 3.973289 
5.268103 
1 1 1 -18 2   18 o 141.4258 3.787116  4286.728       224.2557 4155.873       
304.3625 4442.131       331.6873 139.1587 5.209570 143.6930 5.498123 -4.534271 
7.574231 
1 1 1 -18 2   19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 2   20 f 40.73606 5.123876  375.9014       84.91453 364.1746       
127.3672 385.2841       113.9280 39.64359 7.932745 41.82854 6.487524 -2.184956 
10.24775 
1 1 1 -18 2   21 o 52.21453 4.494943  606.2817       98.04738 550.4492       
140.3832 659.4545       136.9987 49.69342 6.728795 54.73564 5.961659 -5.042225 
8.989886 
1 1 1 -18 2   22 o 44.86118 5.744203  490.3990       102.4422 355.7458       
152.0668 602.2844       138.6158 37.80651 9.567556 51.91584 6.359663 -14.10932 
11.48841 
1 1 1 -18 2   23 o 28.02982 6.669880  191.8432       92.48660 176.6974       
145.6333 202.0803       119.7301 27.39989 9.875642 28.65974 8.967770 -1.259853 
13.33976 
1 1 1 -18 2   24 o 81.49042 3.779247  1460.667       125.6317 1554.132       
205.5581 1404.939       158.7268 83.04217 5.895994 79.93867 4.729491 3.103493 
7.558494 
1 1 1 -18 2   25 f 18.42634 5.722654  -80.46081      93.34959 121.4155       
143.2852 -229.3357      123.0465 24.01001 9.536066 12.84267 6.329181 11.16733 
11.44531 
1 1 1 -18 2   26 o 48.22367 5.447260  571.7878       107.5922 631.5294       
155.3142 516.6667       149.1872 51.23935 7.219858 45.20800 8.158689 6.031349 
10.89452 
1 1 1 -18 2   27 o 35.31429 6.411741  340.6945       101.5539 200.9763       
136.5258 513.7577       151.9465 26.67519 9.567069 43.95340 8.538903 -17.27821 
12.82348 
1 1 1 -18 2   28 o 18.91823 5.759987  -51.17512      97.64526 -261.8124      
133.4151 191.8185       143.2963 12.60256 6.279857 25.23390 9.657804 -12.63134 
11.51997 
1 1 1 -18 3   1  o 178.2777 6.173268  6691.539       416.2182 7090.134       
791.2819 6539.070       489.3912 181.1169 10.40623 175.4385 6.644348 5.678406 
12.34654 
1 1 1 -18 3   2  o 119.4594 3.701205  3039.865       182.1022 2899.490       
283.0057 3139.052       237.8923 116.9944 5.761705 121.9243 4.647412 -4.929878 
7.402411 
1 1 1 -18 3   3  o 117.7639 3.892203  2989.848       175.1369 2801.568       
317.7621 3071.997       209.8953 114.8403 6.590656 120.6875 4.142489 -5.847183 
7.784405 
1 1 1 -18 3   4  o 62.37432 4.699706  956.1774       103.2867 555.8426       
181.4069 1148.208       125.6399 50.95704 8.479509 73.79160 4.055473 -22.83456 
9.399412 
1 1 1 -18 3   5  o 208.6088 4.778192  9254.420       396.7719 9229.261       
678.0563 9267.521       489.2877 207.9831 7.765309 209.2346 5.569957 -1.251480 
9.556383 
1 1 1 -18 3   6  o 106.3890 3.852779  2425.977       156.7856 2318.604       
285.4911 2472.345       187.6087 104.5015 6.507156 108.2766 4.127048 -3.775108 
7.705557 
1 1 1 -18 3   7  o 101.6462 3.482812  2236.887       143.0936 1960.025       
227.7075 2417.571       183.9526 96.21763 5.636945 107.0748 4.092038 -10.85719 
6.965624 
1 1 1 -18 3   8  o 93.89397 3.057281  1847.900       106.9821 1886.604       
206.8606 1833.768       124.9962 94.45242 5.216579 93.33553 3.189854 1.116890 
6.114562 
1 1 1 -18 3   9  o 157.6549 4.934800  4893.636       223.7355 5854.560       
631.5344 4755.721       239.2529 165.0957 9.111341 150.2142 3.793738 14.88153 
9.869599 
1 1 1 -18 3   10 o 66.23970 3.778615  937.5790       92.10813 910.3626       
179.2418 947.3448       107.3691 65.44471 6.523579 67.03469 3.815055 -1.589981 
7.557230 
1 1 1 -18 3   11 o 127.6513 3.498736  3402.476       134.7180 3513.008       
347.2549 3382.893       146.1657 128.5103 6.436230 126.7924 2.745828 1.717896 
6.997473 
1 1 1 -18 3   12 o 80.87302 3.487443  1402.940       92.76961 1356.430       
210.9319 1414.094       103.2964 79.80593 6.295469 81.94009 3.002684 -2.134163 
6.974887 
1 1 1 -18 3   13 o 67.76576 3.319693  838.4807       80.84388 1249.430       
178.0455 731.7489       90.73698 76.65691 5.532238 58.87461 3.670940 17.78229 
6.639387 
1 1 1 -18 3   14 o 63.09797 3.278634  791.7569       80.55600 987.0424       
150.5183 713.3688       95.36288 68.11566 5.263362 58.08028 3.910855 10.03539 
6.557269 
1 1 1 -18 3   15 o 161.4213 3.023853  5348.515       166.4724 5832.285       
371.5962 5227.045       186.2030 165.3869 5.351694 157.4556 2.816758 7.931259 
6.047706 
1 1 1 -18 3   16 o 99.22540 2.486322  1977.465       95.95187 2362.800       
178.4416 1820.728       113.8054 105.5641 4.026253 92.88676 2.918301 12.67730 
4.972644 
1 1 1 -18 3   17 o 33.38842 4.850731  248.5659       63.86824 254.4454       
105.2536 245.1393       80.35237 33.50029 7.648709 33.27655 5.967883 0.2237434 
9.701463 
1 1 1 -18 3   18 o 58.45721 2.983508  690.4690       71.17213 903.3483       
118.8942 571.5836       88.85017 65.09052 4.350750 51.82391 4.083656 13.26661 
5.967015 
1 1 1 -18 3   19 o 85.41302 3.030592  1487.840       93.24540 1701.217       
194.5643 1424.219       106.2411 88.84078 5.216413 81.98528 3.086582 6.855507 
6.061184 
1 1 1 -18 3   20 o 65.29408 5.013667  921.2104       137.4384 0.000000       
0.000000 921.2104       137.4384 ?        ?        65.29408 5.013667 ? ? 
1 1 1 -18 3   21 o 21.97773 6.430198  32.90014       98.14555 125.9189       
153.4521 -31.49133      127.6738 25.76036 9.961104 18.19510 8.134259 7.565254 
12.86040 
1 1 1 -18 3   22 o 24.62739 6.770933  104.8021       100.0402 171.8691       
156.6686 58.62958       129.9927 27.70332 10.21741 21.55146 8.887446 6.151852 
13.54187 
1 1 1 -18 3   23 o 15.77688 5.293052  -121.6654      92.47527 -142.5888      
148.3535 -108.3691      118.2627 16.50381 7.854395 15.04995 7.097469 1.453858 
10.58610 
1 1 1 -18 3   24 o 34.70678 6.513656  297.7577       100.0892 438.1369       
151.8765 189.9844       133.0746 41.75887 8.923907 27.65468 9.490771 14.10419 
13.02731 
1 1 1 -18 3   25 o 68.11926 4.177859  1061.127       118.6532 986.7957       
173.6432 1126.233       162.5114 65.49408 6.315053 70.74445 5.471576 -5.250374 
8.355719 
1 1 1 -18 3   26 o 47.10957 5.143581  534.3875       101.6055 517.6567       
145.3324 550.3835       142.1056 46.20508 7.491931 48.01407 7.049588 -1.808990 
10.28716 
1 1 1 -18 3   27 o 35.08813 6.456719  332.7940       101.2162 201.5050       
134.6898 503.1231       153.4139 26.80545 9.513600 43.37080 8.732027 -16.56535 
12.91344 
1 1 1 -18 3   28 o 34.27026 6.641490  349.2068       101.1684 260.0744       
138.7533 450.3745       147.8244 28.95467 9.692563 39.58585 9.082498 -10.63117 
13.28298 
1 1 1 -18 4   1  o 46.27087 5.636301  501.5326       99.35686 349.0876       
160.6838 595.8989       126.4223 39.49648 9.738905 53.04525 5.676731 -13.54877 
11.27260 
1 1 1 -18 4   2  o 49.18981 5.347275  498.2319       105.4685 675.0571       
171.0012 389.6683       133.9890 56.30573 7.233820 42.07389 7.876880 14.23185 
10.69455 
1 1 1 -18 4   3  f 75.95831 3.817729  1216.966       115.4906 1232.867       
198.0267 1208.770       142.1732 76.23940 6.186791 75.67722 4.474802 0.5621796 
7.635459 
1 1 1 -18 4   4  o 172.6903 5.495055  6406.646       370.8297 6238.202       
652.5002 6487.007       450.6886 170.4792 9.116546 174.9014 6.137680 -4.422226 
10.99011 
1 1 1 -18 4   5  f 21.05659 6.116182  8.871350       94.55614 -137.3820      
152.6478 99.92889       120.4469 17.88241 8.333655 24.23077 8.954379 -6.348358 
12.23236 
1 1 1 -18 4   6  o 102.0106 3.881534  2232.046       162.2085 2051.696       
253.1635 2357.650       211.2724 98.36579 6.130249 105.6554 4.762906 -7.289650 
7.763068 
1 1 1 -18 4   7  o 122.8191 3.559894  3123.146       163.5923 3332.697       
317.5916 3047.466       190.8609 125.3829 6.033258 120.2553 3.780367 5.127594 
7.119788 
1 1 1 -18 4   8  o 73.77561 3.712431  1153.857       106.8217 1144.137       
189.7537 1158.367       129.2472 73.44328 6.154024 74.10794 4.154104 
-0.6646576     7.424863 
1 1 1 -18 4   9  o 96.27876 3.672323  1891.604       109.9741 2066.180       
276.7627 1858.872       119.8414 98.57970 6.687151 93.97783 3.037405 4.601875 
7.344646 
1 1 1 -18 4   10 o 71.44744 3.634835  971.4733       94.66444 1307.535       
200.6523 875.2570       107.3641 78.47830 6.089976 64.41658 3.969925 14.06172 
7.269670 
1 1 1 -18 4   11 o 210.8088 4.804249  8897.374       286.6739 10287.14       
817.4531 8702.485       306.1149 218.4514 8.913106 203.1662 3.588839 15.28516 
9.608498 
1 1 1 -18 4   12 o 33.00212 5.799480  269.3886       74.36314 142.5999       
159.8637 304.3985       84.00494 28.12718 10.32617 37.87705 5.282624 -9.749872 
11.59896 
1 1 1 -18 4   13 o 113.0241 2.933463  2674.580       119.6443 2755.535       
243.4328 2648.796       137.3825 113.9265 5.089505 112.1218 2.918520 1.804733 
5.866926 
1 1 1 -18 4   14 o 103.9449 2.901222  2241.100       104.8212 2370.396       
226.3958 2205.820       118.2605 105.5755 5.107712 102.3144 2.753113 3.261116 
5.802444 
1 1 1 -18 4   15 o 96.20839 2.651504  1929.384       103.0120 2063.028       
173.4847 1856.604       128.0246 98.65012 4.188752 93.76666 3.252115 4.883453 
5.303008 
1 1 1 -18 4   16 o 13.86294 4.510062  -75.30177      59.55423 -17.00408      
94.21371 -114.0979      76.85690 16.39189 7.180570 11.33399 5.459126 5.057896 
9.020124 
1 1 1 -18 4   17 o 66.97767 2.943308  929.8783       79.31568 1035.529       
135.7723 875.1442       97.72479 69.69293 4.640272 64.26241 3.622170 5.430527 
5.886616 
1 1 1 -18 4   18 o 43.27069 3.743163  390.4288       66.37960 457.3097       
109.0795 351.0948       83.65201 46.05799 5.641041 40.48340 4.921760 5.574585 
7.486325 
1 1 1 -18 4   19 o 73.35793 2.704542  1139.525       83.03204 1268.872       
122.5045 1029.609       112.9292 77.19880 3.779746 69.51706 3.869331 7.681740 
5.409085 
1 1 1 -18 4   20 o 24.53395 6.294572  116.6850       86.74098 56.87695       
124.7754 172.6205       120.6682 21.52135 8.762743 27.54655 9.038854 -6.025190 
12.58914 
1 1 1 -18 4   21 o 23.99606 6.679274  98.96023       98.85889 78.74294       
150.9181 114.1554       130.8374 23.63302 9.632221 24.35911 9.255869 
-0.7260838     13.35855 
1 1 1 -18 4   22 f 34.01991 10.29281  292.5289       159.5142 292.5289       
159.5142 0.000000       0.000000 34.01991 10.29281 ?        ?        ? ? 
1 1 1 -18 4   23 o 22.80202 6.443225  89.71609       93.94732 42.89682       
150.9078 119.3446       120.0479 21.79552 9.308624 23.80853 8.911235 -2.013010 
12.88645 
1 1 1 -18 4   24 o 58.16944 4.362086  757.9715       104.9201 819.9764       
165.5005 716.3066       135.6664 59.83188 6.588520 56.50700 5.718617 3.324875 
8.724172 
1 1 1 -18 4   25 o 104.5695 3.842393  2464.377       168.1079 2337.165       
243.2569 2580.671       232.5831 101.6311 5.701116 107.5079 5.152982 -5.876884 
7.684787 
1 1 1 -18 4   26 o 21.17060 6.284485  67.16734       95.52072 100.2152       
129.0412 27.10907       142.0702 22.31688 8.979856 20.02432 8.794384 2.292568 
12.56897 
1 1 1 -18 4   27 o 25.40755 6.483871  138.1474       99.62775 1.906777       
133.5804 308.9322       149.5596 18.36032 8.260450 32.45480 9.996363 -14.09448 
12.96774 
1 1 1 -18 4   28 o 15.29704 5.202034  -125.6745      97.09817 -196.2315      
132.2703 -43.21690      142.9906 13.48833 6.643757 17.10576 8.006569 -3.617428 
10.40407 
1 1 1 -18 5   1  f 28.92372 5.730259  175.7249       84.83057 11.99835       
126.9915 307.6545       113.9951 20.49475 8.636717 37.35270 7.533300 -16.85795 
11.46052 
1 1 1 -18 5   2  o 133.3269 4.276668  3759.068       219.2300 3791.534       
401.1201 3745.240       261.7891 133.4752 7.158053 133.1786 4.682075 0.2966309 
8.553335 
1 1 1 -18 5   3  o 72.71788 4.025092  1133.975       118.5964 1062.285       
191.6049 1178.497       150.9974 70.74148 6.451395 74.69427 4.815078 -3.952797 
8.050184 
1 1 1 -18 5   4  o 162.2233 3.988775  5600.692       268.6079 5360.283       
406.6857 5786.718       357.7416 159.0046 6.092147 165.4420 5.150444 -6.437454 
7.977551 
1 1 1 -18 5   5  f 49.32875 5.162634  515.8823       103.3537 527.0273       
170.1637 509.3673       130.1007 49.66173 8.161428 48.99577 6.324734 0.6659660 
10.32527 
1 1 1 -18 5   6  o 121.2012 4.059906  2923.262       164.9058 3431.860       
383.3809 2807.800       182.6676 126.9716 7.191918 115.4307 3.769307 11.54099 
8.119813 
1 1 1 -18 5   7  o 90.70416 3.651233  1567.370       125.0553 2148.173       
250.7966 1375.176       144.2701 100.6717 5.933832 80.73659 4.256249 19.93514 
7.302467 
1 1 1 -18 5   8  o 141.7495 4.607048  4253.948       215.1154 4292.772       
493.1504 4244.825       239.0579 141.6221 8.294104 141.8769 4.013402 
-0.2547607     9.214095 
1 1 1 -18 5   9  o 125.3906 3.337831  3228.397       134.2283 3470.524       
323.9000 3178.193       147.4891 127.8857 6.032675 122.8954 2.858548 4.990349 
6.675662 
1 1 1 -18 5   10 o 140.5439 4.025147  3814.536       162.8341 4730.333       
463.2898 3685.459       173.9314 148.7959 7.416223 132.2919 3.131595 16.50398 
8.050295 
1 1 1 -18 5   11 o 74.32154 4.297786  1219.283       95.92583 1111.310       
240.3544 1239.739       104.6190 71.94004 7.957973 76.70304 3.248769 -4.763000 
8.595572 
1 1 1 -18 5   12 o 86.14261 3.533294  1592.267       103.0914 1541.500       
225.5134 1605.679       115.9119 85.00404 6.319079 87.28118 3.163213 -2.277138 
7.066589 
1 1 1 -18 5   13 o 111.6725 2.650594  2627.139       117.7656 2659.023       
202.3314 2610.803       144.8250 112.0695 4.300283 111.2755 3.100024 0.7939529 
5.301187 
1 1 1 -18 5   14 o 81.08743 3.067946  1368.252       92.85183 1450.074       
180.5998 1338.853       108.2553 82.53014 5.212255 79.64472 3.237525 2.885422 
6.135892 
1 1 1 -18 5   15 o 204.9456 3.680502  8592.387       259.1212 9603.607       
575.4282 8335.176       290.2108 211.3234 6.485816 198.5678 3.481175 12.75558 
7.361005 
1 1 1 -18 5   16 o 111.5420 2.825301  2582.804       121.6836 2782.582       
224.4646 2499.659       144.8079 114.3182 4.676850 108.7658 3.171179 5.552368 
5.650602 
1 1 1 -18 5   17 o 17.36705 5.168277  12.29962       62.25924 26.23508       
101.9107 4.001556       78.64069 18.89794 7.836699 15.83616 6.740214 3.061782 
10.33655 
1 1 1 -18 5   18 o 83.18530 2.820327  1492.659       94.84743 1394.439       
153.8485 1552.877       120.4632 80.78059 4.536359 85.59000 3.352375 -4.809402 
5.640654 
1 1 1 -18 5   19 o 46.26574 4.694119  468.3698       90.60899 542.5273       
131.6806 401.6833       124.8713 49.83638 6.293561 42.69510 6.966357 7.141277 
9.388239 
1 1 1 -18 5   20 o 92.38768 3.450693  1842.853       133.7003 1844.818       
193.6066 1841.063       184.8583 92.37511 4.992133 92.40026 4.765263 
-0.2515411E-01 6.901386 
1 1 1 -18 5   21 o 37.88350 5.988290  340.3156       92.84090 375.2799       
136.5583 310.2647       126.6002 39.73236 8.440765 36.03463 8.496584 3.697735 
11.97658 
1 1 1 -18 5   22 o 51.99488 5.468127  647.2374       110.4590 540.2297       
174.7385 718.4568       142.5543 47.09771 9.164124 56.89205 5.968289 -9.794338 
10.93625 
1 1 1 -18 5   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 5   24 o 26.33493 6.341869  154.9592       97.13853 1.335008       
147.4386 272.7898       129.1251 19.98033 8.849611 32.68953 9.086342 -12.70920 
12.68374 
1 1 1 -18 5   25 o 24.21772 6.657668  128.7145       96.88623 135.6573       
143.9265 122.9613       131.0172 24.68130 9.625644 23.75414 9.200281 0.9271603 
13.31534 
1 1 1 -18 5   26 o 32.90598 6.587345  288.9405       98.95584 196.3763       
135.8875 393.4483       144.3884 27.22614 9.566578 38.58581 9.058313 -11.35967 
13.17469 
1 1 1 -18 5   27 o 37.95692 6.501040  397.4302       102.8189 354.0545       
143.3606 443.3752       147.5455 35.44685 9.455742 40.46698 8.924294 -5.020134 
13.00208 
1 1 1 -18 5   28 o 18.02709 5.787488  1.278183       95.98423 41.95530       
136.4635 -38.55008      135.0322 19.22661 8.515064 16.82756 7.840520 2.399048 
11.57498 
1 1 1 -18 6   1  o 107.9492 4.204924  2477.112       182.2076 2443.119       
305.0938 2495.958       227.1693 107.2192 6.777696 108.6792 4.978795 -1.460030 
8.409848 
1 1 1 -18 6   2  o 105.0015 3.603945  2358.266       154.3441 2206.742       
245.2059 2457.694       198.6300 102.0797 5.721535 107.9233 4.383801 -5.843552 
7.207890 
1 1 1 -18 6   3  o 25.44319 6.467513  115.5308       89.56517 73.89530       
128.9059 154.3910       124.5357 23.36615 9.110183 27.52023 9.182562 -4.154078 
12.93503 
1 1 1 -18 6   4  f 67.88196 4.227003  928.4060       116.3447 1167.020       
198.4902 803.5172       143.5994 74.15265 6.375782 61.61127 5.551540 12.54137 
8.454005 
1 1 1 -18 6   5  o 75.50101 4.346169  1220.018       129.7494 1175.477       
222.7594 1242.888       159.6216 74.31323 7.139879 76.68879 4.957706 -2.375557 
8.692337 
1 1 1 -18 6   6  o 74.50795 3.865362  1197.594       114.0510 1104.358       
192.8722 1247.726       141.4270 72.12497 6.369497 76.89094 4.381051 -4.765968 
7.730724 
1 1 1 -18 6   7  o 58.09593 4.437261  742.5085       95.87939 658.8522       
178.9462 776.1957       113.5548 55.55654 7.671994 60.63533 4.460677 -5.078785 
8.874521 
1 1 1 -18 6   8  o 39.94726 5.723511  304.9454       84.66825 483.2252       
167.5354 243.7936       98.12061 46.70984 8.864093 33.18468 7.243077 13.52516 
11.44702 
1 1 1 -18 6   9  o 65.02339 3.704831  766.3400       89.41444 1192.512       
187.6779 641.2036       101.6980 74.94812 5.964493 55.09866 4.396354 19.84946 
7.409663 
1 1 1 -18 6   10 o 71.00643 3.454936  1047.168       91.30460 1110.943       
178.4729 1024.560       106.2632 72.31129 5.878779 69.70158 3.631293 2.609711 
6.909872 
1 1 1 -18 6   11 o 93.52354 3.160775  1832.832       103.4597 1882.370       
219.7681 1818.726       117.2670 94.12988 5.561067 92.91720 3.006083 1.212685 
6.321550 
1 1 1 -18 6   12 o 30.07711 6.139002  132.1386       74.27367 360.7518       
162.0279 71.31996       83.57134 39.86637 9.748487 20.28784 7.464342 19.57853 
12.27800 
1 1 1 -18 6   13 o 89.86880 3.200958  1632.427       102.0118 1864.662       
217.9912 1567.310       115.4308 93.54461 5.550616 86.19300 3.189855 7.351608 
6.401915 
1 1 1 -18 6   14 o 76.42403 3.221368  1261.376       92.25256 1191.526       
173.1418 1289.068       109.0157 74.72031 5.519305 78.12775 3.323571 -3.407448 
6.442736 
1 1 1 -18 6   15 o 44.09200 3.912555  424.9808       68.91299 382.9480       
113.4976 449.5254       86.73019 42.18906 6.407784 45.99493 4.491397 -3.805866 
7.825109 
1 1 1 -18 6   16 o 153.9192 3.357104  4959.271       196.1812 5263.311       
370.9960 4841.252       231.1416 156.6561 5.640830 151.1823 3.641650 5.473770 
6.714207 
1 1 1 -18 6   17 o 78.45517 2.814379  1291.173       88.64057 1365.383       
150.8790 1252.059       109.5372 80.02388 4.490867 76.88647 3.393382 3.137413 
5.628759 
1 1 1 -18 6   18 o 22.50927 6.134830  81.87795       82.11951 64.38116       
115.1457 99.98897       117.1493 21.53085 8.549452 23.48769 8.800649 -1.956844 
12.26966 
1 1 1 -18 6   19 o 53.56519 4.381744  647.8330       93.54928 428.1071       
133.5522 859.4988       131.0798 43.95546 7.237010 63.17493 4.942106 -19.21946 
8.763488 
1 1 1 -18 6   20 o 144.5388 3.454542  4518.691       207.0004 4486.381       
317.9767 4542.455       272.6977 143.7533 5.268639 145.3244 4.469552 -1.571060 
6.909085 
1 1 1 -18 6   21 o 19.86183 5.879043  2.955250       88.36559 106.3864       
126.9290 -94.32137      123.0948 23.75508 9.090193 15.96858 7.457946 7.786499 
11.75809 
1 1 1 -18 6   22 o 26.72851 5.315584  73.10683       91.72691 377.4368       
132.6473 -205.7782      126.9810 39.68094 8.237509 13.77609 6.720504 25.90485 
10.63117 
1 1 1 -18 6   23 o 50.04747 5.426536  592.8173       107.5933 568.1967       
171.5414 608.7844       138.1445 48.16143 8.811685 51.93351 6.335882 -3.772076 
10.85307 
1 1 1 -18 6   24 f 38.57784 8.546160  371.0894       134.7476 0.000000       
0.000000 371.0894       134.7476 ?        ?        38.57784 8.546160 ? ? 
1 1 1 -18 6   25 o 38.32961 6.400846  373.9372       101.4123 461.3293       
153.5546 306.3320       135.0569 42.47406 8.897267 34.18516 9.204453 8.288902 
12.80169 
1 1 1 -18 6   26 o 25.19406 6.637950  153.9747       96.45549 99.50351       
136.0066 209.0949       136.8143 22.48210 9.150397 27.90602 9.618720 -5.423918 
13.27590 
1 1 1 -18 6   27 o 27.20724 6.240014  183.1944       96.99866 346.7232       
136.9030 18.35078       137.4523 35.35326 9.153786 19.06122 8.482882 16.29204 
12.48003 
1 1 1 -18 6   28 o 27.14018 6.886000  225.8082       100.0893 197.0255       
138.1074 257.6486       145.2584 25.65396 9.566733 28.62640 9.906845 -2.972435 
13.77200 
1 1 1 -18 7   1  o 56.73759 4.730258  676.1376       108.3803 713.1104       
181.9200 655.7947       134.9416 57.83785 7.491857 55.63733 5.776977 2.200527 
9.460517 
1 1 1 -18 7   2  o 131.8463 4.611499  3795.423       226.3367 3463.009       
425.1559 3926.892       267.3740 127.3307 7.953095 136.3618 4.670330 -9.031136 
9.222999 
1 1 1 -18 7   3  o 56.13025 4.512541  619.6138       100.0289 818.0241       
182.9458 535.0034       119.4682 62.00021 7.028301 50.26028 5.661723 11.73994 
9.025083 
1 1 1 -18 7   4  o 105.8776 3.797997  2433.186       159.2790 2177.615       
266.8478 2574.636       198.5225 101.2920 6.274939 110.4632 4.280685 -9.171158 
7.595994 
1 1 1 -18 7   5  o 161.3192 4.167231  5553.162       267.3716 5402.160       
454.8655 5632.878       330.4949 159.3702 6.798247 163.2681 4.821525 -3.897903 
8.334462 
1 1 1 -18 7   6  o 166.9524 3.995951  5799.890       241.5105 6117.231       
491.7094 5698.993       277.2585 169.5249 6.908698 164.3799 4.017511 5.144943 
7.991902 
1 1 1 -18 7   7  f 109.0726 3.613158  2471.464       145.5835 2614.366       
287.7327 2422.292       168.7823 110.9542 6.176840 107.1910 3.750504 3.763268 
7.226315 
1 1 1 -18 7   8  o 25.40647 6.516471  89.12157       80.18238 193.7120       
162.9241 55.69219       92.10934 30.86487 10.50291 19.94807 7.716638 10.91680 
13.03294 
1 1 1 -18 7   9  o 163.4693 5.080101  5586.799       231.0117 5879.583       
656.6208 5545.440       246.7894 164.7778 9.491549 162.1608 3.624947 2.616989 
10.16020 
1 1 1 -18 7   10 o 95.83694 3.651981  2013.027       128.0593 1812.150       
246.2110 2087.522       149.9360 92.19799 6.360731 99.47591 3.590120 -7.277916 
7.303962 
1 1 1 -18 7   11 o 167.3410 5.214269  5760.096       233.4860 6354.496       
700.9861 5685.921       247.6260 170.5516 9.789817 164.1303 3.593590 6.421356 
10.42854 
1 1 1 -18 7   12 o 42.32342 5.710058  435.9205       79.05691 325.0924       
172.0938 465.5646       89.00416 37.77875 10.48613 46.86808 4.523287 -9.089333 
11.42012 
1 1 1 -18 7   13 o 114.4800 3.405503  2854.242       127.0468 2672.710       
289.6866 2897.473       141.3674 111.7272 6.175762 117.2329 2.872241 -5.505722 
6.811007 
1 1 1 -18 7   14 o 146.0663 2.920216  4428.976       163.3048 4751.453       
305.4717 4299.933       193.2359 149.4358 4.868973 142.6967 3.225485 6.739136 
5.840432 
1 1 1 -18 7   15 o 23.84345 5.500255  98.03982       65.65300 197.6617       
106.9490 37.79634       83.16764 29.59484 8.283500 18.09207 7.238430 11.50277 
11.00051 
1 1 1 -18 7   16 o 64.69070 2.970651  887.8401       78.99226 898.3273       
125.4446 880.9495       101.6841 64.92570 4.602105 64.45571 3.757619 0.4699860 
5.941302 
1 1 1 -18 7   17 o 86.08197 3.390926  1572.668       122.0089 1392.154       
165.0928 1789.910       181.1108 80.65397 4.875548 91.50997 4.714080 -10.85600 
6.781853 
1 1 1 -18 7   18 o 74.55977 3.184010  1179.246       98.04537 1245.370       
154.8468 1134.996       126.6724 76.17928 4.841574 72.94026 4.136525 3.239021 
6.368020 
1 1 1 -18 7   19 o 20.36046 5.680932  1.933110       80.47491 151.3637       
123.9475 -106.9640      105.8099 26.42084 9.150569 14.30008 6.734911 12.12076 
11.36186 
1 1 1 -18 7   20 o 64.26754 3.942364  885.9850       105.4219 1028.739       
162.6939 782.6649       138.4106 68.62148 5.647187 59.91361 5.502563 8.707867 
7.884727 
1 1 1 -18 7   21 o 44.38481 5.349080  457.9885       96.16166 389.6406       
138.3158 521.9308       133.7836 40.42695 8.426205 48.34268 6.591639 -7.915730 
10.69816 
1 1 1 -18 7   22 o 45.86287 4.975267  478.6412       95.69393 457.7765       
135.9118 499.1535       134.7589 44.77219 7.230527 46.95355 6.836124 -2.181366 
9.950534 
1 1 1 -18 7   23 o 34.40554 6.232580  298.0048       91.20325 250.6272       
133.0511 339.9980       125.2627 31.48174 9.375392 37.32935 8.214757 -5.847603 
12.46516 
1 1 1 -18 7   24 o 52.29514 4.263277  620.2698       93.27007 606.2200       
136.6072 632.5385       127.6550 51.55649 6.311191 53.03378 5.733322 -1.477291 
8.526553 
1 1 1 -18 7   25 o 50.49139 5.419137  613.3696       108.7319 806.5856       
160.0617 447.8043       148.1666 59.02980 6.458582 41.95297 8.703728 17.07684 
10.83827 
1 1 1 -18 7   26 f 40.91398 6.079037  441.9849       103.5922 296.8116       
148.5618 579.3752       144.5246 32.56543 9.949276 49.26253 6.987893 -16.69710 
12.15807 
1 1 1 -18 7   27 o 21.02256 6.152790  53.07928       96.17480 -62.62041      
133.4512 178.1051       138.7255 16.51176 7.729675 25.53336 9.574937 -9.021597 
12.30558 
1 1 1 -18 7   28 o 24.10591 6.647489  165.9510       97.24880 175.2762       
136.5571 156.3550       138.5252 24.54105 9.417707 23.67077 9.384200 0.8702812 
13.29498 
1 1 1 -18 8   1  o 86.52768 4.271125  1606.297       140.7135 1545.520       
258.5777 1631.867       167.7224 85.15252 7.232936 87.90283 4.544741 -2.750313 
8.542251 
1 1 1 -18 8   2  o 60.52610 4.727623  738.5134       116.3325 950.2809       
197.0204 625.1639       144.1423 66.79880 7.025280 54.25340 6.328279 12.54540 
9.455245 
1 1 1 -18 8   3  o 64.43300 4.459240  865.5810       116.9371 946.7239       
194.0225 819.2918       146.5435 66.68274 6.930422 62.18327 5.613246 4.499474 
8.918480 
1 1 1 -18 8   4  o 72.05515 4.193698  1078.400       120.8980 1176.782       
208.7390 1028.739       148.3052 74.37421 6.685014 69.73608 5.065471 4.638123 
8.387396 
1 1 1 -18 8   5  o 193.7779 5.508017  7897.780       369.5370 8267.672       
798.7855 7797.059       416.8237 195.6208 9.726044 191.9350 5.172724 3.685806 
11.01603 
1 1 1 -18 8   6  o 63.82153 4.581668  897.8898       111.8388 786.7662       
198.5180 949.5570       135.3644 60.63390 7.798399 67.00916 4.811621 -6.375259 
9.163336 
1 1 1 -18 8   7  o 64.62401 4.534914  979.2495       109.5280 654.0661       
184.1067 1157.387       136.2648 55.23480 7.939222 74.01321 4.385261 -18.77842 
9.069827 
1 1 1 -18 8   8  o 27.93684 5.862635  187.2375       81.29317 -22.44307      
165.1667 254.2714       93.38796 21.92786 9.557252 33.94582 6.792709 -12.01796 
11.72527 
1 1 1 -18 8   9  o 72.14423 4.055970  1119.045       101.4041 1084.101       
214.9380 1129.049       115.0079 71.14963 7.195511 73.13883 3.745422 -1.989204 
8.111939 
1 1 1 -18 8   10 o 61.36311 4.070153  813.1146       91.02756 777.7642       
178.8465 825.4738       105.7496 60.23288 7.072418 62.49333 4.030567 -2.260456 
8.140306 
1 1 1 -18 8   11 f 104.1544 3.769869  2291.107       124.7492 2332.364       
300.0774 2282.487       137.1638 104.2727 6.854627 104.0361 3.140338 0.2365799 
7.539737 
1 1 1 -18 8   12 o 32.81586 5.953238  262.1030       77.33566 150.9884       
165.2031 293.2863       87.51721 28.55148 10.49571 37.08023 5.621757 -8.528759 
11.90648 
1 1 1 -18 8   13 o 58.43626 3.551696  747.0038       76.36983 684.1378       
146.1547 770.6152       89.57050 56.49328 6.162219 60.37923 3.533446 -3.885956 
7.103393 
1 1 1 -18 8   14 o 71.46471 2.540838  1074.142       75.02811 1116.104       
117.9657 1045.637       97.22753 72.58482 3.871068 70.34459 3.292150 2.240234 
5.081675 
1 1 1 -18 8   15 o 95.34702 2.568583  1931.602       99.38808 1900.928       
162.1876 1950.047       125.7694 94.62772 4.082446 96.06632 3.118351 -1.438599 
5.137166 
1 1 1 -18 8   16 o 55.18130 4.129871  654.4367       95.27435 575.9987       
131.6819 740.6044       138.0178 51.66218 6.071200 58.70042 5.600347 -7.038242 
8.259743 
1 1 1 -18 8   17 o 133.9131 3.485436  3823.110       195.3316 3582.825       
263.6781 4115.346       290.7886 129.3165 4.856700 138.5098 5.000552 -9.193344 
6.970871 
1 1 1 -18 8   18 o 70.18025 3.285249  1064.526       95.85480 981.6105       
142.2276 1133.530       129.7486 67.53322 5.016345 72.82728 4.243552 -5.294060 
6.570498 
1 1 1 -18 8   19 o 84.64745 3.151883  1541.298       111.0652 1519.293       
167.5746 1558.537       148.3216 83.97666 4.753030 85.31824 4.140793 -1.341576 
6.303766 
1 1 1 -18 8   20 o 86.61659 3.280419  1621.480       119.1230 1585.903       
171.8686 1654.372       165.2567 85.62661 4.780891 87.60658 4.493071 -1.979973 
6.560839 
1 1 1 -18 8   21 o 65.14403 3.932245  949.6300       105.2656 769.4979       
153.4520 1109.738       144.6719 58.83686 6.212180 71.45120 4.822760 -12.61434 
7.864490 
1 1 1 -18 8   22 o 35.43540 6.230326  309.0226       93.02721 363.9851       
133.4079 257.0028       129.7874 38.71982 8.440902 32.15098 9.166189 6.568844 
12.46065 
1 1 1 -18 8   23 o 32.61169 6.451346  269.8363       94.64781 194.7760       
135.0594 342.2718       132.6768 28.09751 9.562675 37.12587 8.662260 -9.028360 
12.90269 
1 1 1 -18 8   24 o 28.65421 6.399535  209.5314       87.79644 166.2457       
128.8154 247.0832       119.9807 26.15925 9.301856 31.14916 8.791569 -4.989918 
12.79907 
1 1 1 -18 8   25 o 34.88549 5.808377  314.2670       90.49847 173.9986       
130.4957 444.2336       125.6123 26.28066 9.360589 43.49031 6.879560 -17.20964 
11.61675 
1 1 1 -18 8   26 o 25.76755 6.812738  168.6692       99.88792 204.1206       
144.2228 135.9858       138.4780 27.47005 9.834957 24.06504 9.430123 3.405010 
13.62548 
1 1 1 -18 8   27 o 14.70433 7.301945  -298.9163      172.8000 -298.9163      
172.8000 0.000000       0.000000 14.70433 7.301945 ?        ?        ? ? 
1 1 1 -18 8   28 o 28.98952 6.731367  247.2613       96.89572 168.3186       
127.8755 353.7004       148.4849 24.20812 9.164537 33.77093 9.861870 -9.562809 
13.46273 
1 1 1 -18 9   1  o 57.00168 5.391028  770.3257       113.3154 470.3230       
175.8704 983.2693       148.1707 45.86510 9.456477 68.13826 5.179554 -22.27316 
10.78206 
1 1 1 -18 9   2  o 105.8305 3.539086  2347.935       151.6014 2455.110       
252.6700 2287.649       189.5014 107.5913 5.593680 104.0697 4.337196 3.521553 
7.078172 
1 1 1 -18 9   3  o 68.69592 4.145879  971.2949       115.7528 1122.762       
194.5232 888.2580       144.0281 72.64393 6.378126 64.74792 5.298373 7.896011 
8.291758 
1 1 1 -18 9   4  o 43.23820 6.094346  449.2682       104.6951 262.3777       
165.6403 573.6041       135.1048 34.54042 10.49627 51.93597 6.196175 -17.39554 
12.18869 
1 1 1 -18 9   5  o 158.3452 4.903236  5153.256       263.5808 5698.025       
593.1362 5019.205       294.2289 162.6181 8.687735 154.0722 4.548645 8.545944 
9.806473 
1 1 1 -18 9   6  o 59.83992 4.493931  722.9137       107.2495 891.2841       
190.3526 644.6064       129.8157 64.58149 7.020560 55.09834 5.611898 9.483147 
8.987862 
1 1 1 -18 9   7  o 44.02554 6.144276  488.1317       101.1111 280.5160       
179.9025 583.9950       122.2456 35.61608 10.96230 52.43501 5.553066 -16.81894 
12.28855 
1 1 1 -18 9   8  o 127.7160 4.321268  3122.129       154.3671 3979.240       
456.5283 3011.482       164.0286 135.9176 8.000426 119.5145 3.269038 16.40308 
8.642536 
1 1 1 -18 9   9  o 21.55964 6.258933  42.03367       80.80912 44.87954       
161.4546 41.08249       93.34190 23.95198 9.893993 19.16730 7.668498 4.784687 
12.51787 
1 1 1 -18 9   10 o 89.20639 3.384320  1535.630       105.9722 1977.752       
235.6300 1423.530       118.6487 96.29357 5.828468 82.11921 3.441432 14.17436 
6.768640 
1 1 1 -18 9   11 o 31.55655 5.592766  227.3437       67.84332 203.0684       
133.7498 235.7533       78.72240 30.38516 9.472406 32.72793 5.948919 -2.342768 
11.18553 
1 1 1 -18 9   12 o 28.62375 5.903913  200.5440       75.78655 57.30450       
160.0918 241.9159       86.03793 24.20630 9.902326 33.04120 6.431848 -8.834906 
11.80783 
1 1 1 -18 9   13 o 102.1516 3.247019  2217.323       109.8509 2219.251       
249.5142 2216.860       122.3460 101.7862 5.838851 102.5171 2.842592 
-0.7308502     6.494037 
1 1 1 -18 9   14 o 52.02408 3.392518  588.0656       72.33110 511.7557       
110.4911 645.2916       95.68275 48.91253 5.380571 55.13563 4.133543 -6.223099 
6.785037 
1 1 1 -18 9   15 o 95.56708 3.138125  1935.143       125.5647 2078.050       
186.1680 1815.878       170.0721 98.77216 4.489433 92.36200 4.385922 6.410156 
6.276250 
1 1 1 -18 9   16 o 103.1136 3.325917  2272.377       143.9728 2262.414       
202.3420 2282.593       204.8988 102.8923 4.684080 103.3349 4.722952 
-0.4426117     6.651833 
1 1 1 -18 9   17 o 40.10518 5.572189  364.8380       91.83306 301.4522       
129.1458 429.6690       130.6097 35.98255 8.644090 44.22781 7.033979 -8.245258 
11.14438 
1 1 1 -18 9   18 o 117.3337 3.035026  2958.960       148.8600 2704.586       
213.4675 3199.753       207.6910 112.2760 4.528617 122.3913 4.041925 -10.11523 
6.070053 
1 1 1 -18 9   19 o 59.00767 3.644117  756.0688       90.08512 707.6997       
128.2373 803.1944       126.5781 57.06784 5.352343 60.94751 4.946795 -3.879669 
7.288233 
1 1 1 -18 9   20 o 39.64899 5.695831  369.0363       91.55821 406.3167       
132.9781 335.4331       126.2495 41.68262 7.885812 37.61536 8.220944 4.067261 
11.39166 
1 1 1 -18 9   21 o 46.70259 5.162242  496.2382       101.1438 522.9125       
145.3539 471.1981       140.8311 47.95871 7.219054 45.44648 7.381073 2.512222 
10.32448 
1 1 1 -18 9   22 o 28.41824 6.036797  177.2816       94.69642 -6.197109      
137.5383 342.6519       130.5748 19.39737 8.574970 37.43911 8.499502 -18.04175 
12.07359 
1 1 1 -18 9   23 o 69.46230 3.987757  1071.222       115.4898 1258.100       
170.1003 911.4034       157.3038 75.23275 5.385417 63.69184 5.882695 11.54091 
7.975513 
1 1 1 -18 9   24 o 75.25342 3.297159  1228.016       101.5133 1336.488       
165.6822 1162.822       128.4465 77.53024 5.090093 72.97660 4.192371 4.553635 
6.594317 
1 1 1 -18 9   25 o 22.92441 6.124570  102.6746       88.15076 2.471811       
128.2425 192.4243       121.3693 18.57902 8.238076 27.26981 9.065072 -8.690784 
12.24914 
1 1 1 -18 9   26 o 36.26060 6.128478  344.5042       92.06811 395.1496       
136.0591 301.7264       125.0451 38.87079 8.567834 33.65041 8.764997 5.220383 
12.25696 
1 1 1 -18 9   27 o 20.68261 6.177939  77.75610       91.75636 65.75974       
123.2934 92.64838       137.3712 19.91472 8.456752 21.45049 9.008390 -1.535769 
12.35588 
1 1 1 -18 9   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 10  1  o 101.0632 3.820961  2208.457       156.5712 1999.661       
249.8180 2343.531       200.9313 96.89030 6.141358 105.2361 4.547824 -8.345840 
7.641923 
1 1 1 -18 10  2  o 55.60861 4.826879  635.3708       110.2339 791.6805       
180.2627 542.0025       139.3197 60.82633 7.058871 50.39089 6.585390 10.43544 
9.653757 
1 1 1 -18 10  3  o 114.2447 4.541463  2744.158       205.1746 2902.435       
360.2680 2668.182       249.6079 116.3603 7.374659 112.1291 5.302261 4.231216 
9.082927 
1 1 1 -18 10  4  o 104.7693 4.282341  2380.865       179.5355 2185.302       
296.4253 2494.168       225.6274 101.0606 6.986415 108.4781 4.954170 -7.417458 
8.564683 
1 1 1 -18 10  5  o 24.75716 6.722998  78.40414       95.50671 151.1568       
161.5790 39.33632       118.4050 28.57869 10.39217 20.93563 8.532149 7.643053 
13.44600 
1 1 1 -18 10  6  o 60.41183 3.840955  795.0122       93.32588 700.6345       
150.4431 854.0496       118.9876 57.30388 6.253302 63.51979 4.461835 -6.215908 
7.681911 
1 1 1 -18 10  7  f 148.9134 4.487416  4549.087       217.1041 5042.726       
517.7361 4443.766       239.1456 152.8214 8.069476 145.0054 3.928251 7.815994 
8.974832 
1 1 1 -18 10  8  o 63.32986 4.174169  851.9279       96.52902 862.8265       
191.8585 848.2341       111.6959 63.35137 7.213501 63.30835 4.202398 
0.4301834E-01  8.348338 
1 1 1 -18 10  9  o 86.87088 3.742679  1620.920       108.5429 1580.908       
242.2926 1630.967       121.4069 85.83080 6.723852 87.91096 3.289437 -2.080162 
7.485357 
1 1 1 -18 10  10 o 38.60846 5.278559  286.4561       80.03540 483.8295       
145.1812 200.2842       95.92882 47.34952 7.303246 29.86741 7.623342 17.48211 
10.55712 
1 1 1 -18 10  11 o 86.62753 3.317872  1475.996       98.19367 1805.837       
224.3189 1397.811       109.2132 91.88549 5.814869 81.36958 3.196936 10.51591 
6.635744 
1 1 1 -18 10  12 o 124.3179 4.357658  3188.883       145.3050 3491.554       
434.3041 3150.732       154.1908 126.4540 8.180548 122.1819 3.005888 4.272148 
8.715316 
1 1 1 -18 10  13 o 50.94423 3.940787  497.7752       78.51911 728.1262       
147.7997 407.2001       92.67933 58.20657 6.048151 43.68189 5.053620 14.52468 
7.881573 
1 1 1 -18 10  14 o 100.4913 3.569136  2183.179       145.1575 2059.548       
235.4276 2259.004       184.3737 97.91147 5.727232 103.0711 4.260721 -5.159660 
7.138272 
1 1 1 -18 10  15 o 22.85098 6.022916  88.57853       79.14825 47.54609       
111.1869 130.7304       112.6934 20.53820 8.305951 25.16377 8.724292 -4.625574 
12.04583 
1 1 1 -18 10  16 o 95.15680 3.441181  1933.071       137.1820 1785.416       
187.4587 2103.316       201.2881 91.24994 4.893212 99.06365 4.839770 -7.813713 
6.882361 
1 1 1 -18 10  17 o 151.7799 4.108155  4982.202       261.1486 4730.940       
354.5527 5280.167       386.1005 147.6921 5.718008 155.8677 5.900182 -8.175598 
8.216311 
1 1 1 -18 10  18 o 94.73421 3.194780  1928.466       127.0561 1922.302       
180.5876 1934.509       178.7948 94.56959 4.548387 94.89882 4.487612 
-0.3292313     6.389561 
1 1 1 -18 10  19 o 152.8477 3.842443  5096.040       246.1811 5034.210       
356.9285 5152.142       339.9937 151.7860 5.601064 153.9095 5.261705 -2.123489 
7.684886 
1 1 1 -18 10  20 o 24.40691 6.457200  117.4340       91.32359 69.51369       
133.4608 159.6283       125.2336 22.28487 9.066285 26.52896 9.196966 -4.244093 
12.91440 
1 1 1 -18 10  21 o 67.59014 3.895808  1005.490       109.9462 872.0479       
151.9485 1152.130       159.2857 62.73503 5.769093 72.44525 5.237066 -9.710217 
7.791616 
1 1 1 -18 10  22 f 20.53505 5.615569  5.032281       85.59298 179.3840       
119.5690 -178.2132      122.5807 27.21194 8.997589 13.85817 6.721743 13.35377 
11.23114 
1 1 1 -18 10  23 o 29.57405 6.700447  223.0697       94.06285 234.8429       
134.4020 211.7669       131.6894 30.24281 9.508994 28.90529 9.442615 1.337517 
13.40089 
1 1 1 -18 10  24 o 30.44646 6.447565  238.6772       89.06175 277.3507       
130.8891 205.3338       121.5351 32.60360 9.176242 28.28932 9.059854 4.314281 
12.89513 
1 1 1 -18 10  25 o 19.73011 5.931892  38.64267       88.17767 -17.27001      
129.0447 87.61497       120.7703 17.93362 8.090922 21.52660 8.676770 -3.592985 
11.86378 
1 1 1 -18 10  26 o 52.88407 4.200386  646.0977       92.90231 581.8863       
125.5788 723.7253       138.0760 49.96223 5.986810 55.80591 5.893308 -5.843674 
8.400772 
1 1 1 -18 10  27 o 20.09305 5.888759  75.09891       84.63838 9.160717       
132.0453 121.0826       110.2697 18.19262 8.197374 21.99348 8.456534 -3.800867 
11.77752 
1 1 1 -18 10  28 o 18.40096 5.658026  37.92774       85.07001 -38.48621      
131.7800 92.52318       111.3888 16.56085 7.727574 20.24106 8.266659 -3.680214 
11.31605 
1 1 1 -18 11  1  o 81.68512 3.978456  1347.159       131.9941 1726.418       
224.2152 1146.014       163.2870 89.95768 5.936738 73.41257 5.297884 16.54511 
7.956911 
1 1 1 -18 11  2  o 105.8723 4.141299  2383.408       176.4916 2413.049       
295.4893 2366.969       220.0566 106.1519 6.630330 105.5926 4.963885 0.5592117 
8.282598 
1 1 1 -18 11  3  o 60.60551 4.692681  783.0452       116.1126 801.8900       
188.3478 771.4927       147.4688 61.05561 7.347778 60.15541 5.839109 0.9001923 
9.385363 
1 1 1 -18 11  4  o 83.39247 3.369555  1362.088       108.6661 1771.946       
207.0625 1206.302       127.6582 91.26147 5.404247 75.52347 4.026132 15.73800 
6.739111 
1 1 1 -18 11  5  o 140.7092 4.402766  4269.075       224.6739 4156.672       
446.4138 4307.205       260.0031 138.8087 7.660232 142.6098 4.342606 -3.801041 
8.805532 
1 1 1 -18 11  6  o 120.7956 4.198806  3117.553       191.7615 3110.062       
359.5330 3120.532       226.6988 120.2487 7.121633 121.3426 4.449970 -1.093895 
8.397613 
1 1 1 -18 11  7  o 90.87058 3.169993  1612.534       105.7507 2043.698       
219.2481 1481.813       120.7217 97.97133 5.330377 83.76984 3.432566 14.20149 
6.339986 
1 1 1 -18 11  8  o 83.83261 3.751915  1459.182       110.7823 1567.974       
235.4908 1428.263       125.5414 85.46458 6.563097 82.20065 3.637749 3.263939 
7.503830 
1 1 1 -18 11  9  o 90.15898 3.701972  1687.565       114.2850 1810.451       
252.4895 1655.902       128.1658 91.79081 6.551868 88.52715 3.448392 3.263657 
7.403944 
1 1 1 -18 11  10 o 26.51585 5.965906  145.2282       67.69890 160.7076       
136.1187 140.1408       78.03467 27.91092 9.596769 25.12077 7.090144 2.790146 
11.93181 
1 1 1 -18 11  11 o 77.78275 3.865707  1393.248       95.32307 1139.932       
216.4974 1454.166       106.1678 72.57185 7.105680 82.99366 3.046977 -10.42181 
7.731413 
1 1 1 -18 11  12 o 22.62067 6.257750  70.31520       73.57527 96.43714       
159.4917 63.25345       82.92616 25.63656 10.09905 19.60478 7.392354 6.031788 
12.51550 
1 1 1 -18 11  13 o 71.38542 4.122286  1107.127       117.3190 1057.531       
197.2803 1134.263       145.9262 69.85437 6.726841 72.91647 4.766820 -3.062103 
8.244572 
1 1 1 -18 11  14 f 40.36385 6.077644  314.4949       104.9845 658.2917       
179.2038 134.8440       129.5421 54.70593 7.802502 26.02178 9.320515 28.68416 
12.15529 
1 1 1 -18 11  15 o 59.68529 3.537427  764.4050       88.38868 766.7576       
120.6844 761.6829       129.8154 59.83425 4.804214 59.53632 5.193562 0.2979240 
7.074854 
1 1 1 -18 11  16 o 60.48330 3.923247  790.5715       99.56254 774.9351       
137.9454 807.5742       143.8452 59.87894 5.487244 61.08765 5.608710 -1.208710 
7.846494 
1 1 1 -18 11  17 o 28.41205 6.138011  185.3998       79.78086 170.1516       
108.5985 203.2781       117.5918 27.28176 8.541546 29.54233 8.817182 -2.260569 
12.27602 
1 1 1 -18 11  18 o 61.52894 4.146664  797.4024       101.5747 1232.412       
159.6627 501.6362       131.6523 75.43993 5.041076 47.61795 6.585351 27.82198 
8.293328 
1 1 1 -18 11  19 o 66.37215 3.668450  966.4717       101.3175 840.0751       
145.2443 1086.269       141.4020 61.92162 5.586991 70.82269 4.755589 -8.901066 
7.336899 
1 1 1 -18 11  20 o 64.67582 3.905177  928.6277       104.9268 824.1113       
153.2910 1020.767       143.9289 60.95849 5.989678 68.39315 5.012523 -7.434662 
7.810354 
1 1 1 -18 11  21 o 112.9558 3.813845  2807.437       179.6508 2885.613       
271.5186 2746.564       239.5947 114.0611 5.669999 111.8505 5.102232 2.210587 
7.627690 
1 1 1 -18 11  22 o 34.51090 5.918589  294.1782       94.18821 138.9863       
133.8294 446.4946       132.5838 25.08630 9.405014 43.93549 7.187802 -18.84919 
11.83718 
1 1 1 -18 11  23 o 63.30575 4.205782  905.8146       111.6705 852.5864       
155.6290 962.3054       160.3276 61.31476 6.045701 65.29674 5.848412 -3.981979 
8.411565 
1 1 1 -18 11  24 o 41.11825 5.294635  408.8279       89.22462 385.3336       
127.8827 431.1132       124.5487 39.37468 8.014224 42.86181 6.921334 -3.487125 
10.58927 
1 1 1 -18 11  25 o 96.67332 3.746315  2076.340       148.0920 2283.927       
242.2987 1952.551       187.1078 99.79388 5.783201 93.55277 4.763831 6.241104 
7.492630 
1 1 1 -18 11  26 o 57.17067 4.260519  770.7382       101.4963 717.4855       
148.7047 817.1827       138.8740 54.86593 6.455695 59.47541 5.561662 -4.609482 
8.521038 
1 1 1 -18 11  27 o 31.70209 6.067244  271.8161       94.04482 473.6214       
141.1570 110.7408       126.1103 41.76765 8.344924 21.63654 8.809542 20.13111 
12.13449 
1 1 1 -18 12  1  o 55.25395 4.962917  623.1357       112.0410 849.1017       
184.4787 491.0735       141.0308 62.77489 6.999732 47.73301 7.037465 15.04188 
9.925834 
1 1 1 -18 12  2  o 112.4905 4.379204  2693.071       190.3429 2756.350       
346.0422 2665.619       227.9208 112.9944 7.294458 111.9865 4.847741 1.007942 
8.758409 
1 1 1 -18 12  3  o 95.86838 3.801580  1913.181       142.0757 2083.029       
258.0656 1839.311       170.1897 98.59951 6.234137 93.13725 4.352421 5.462265 
7.603159 
1 1 1 -18 12  4  o 84.11885 3.751643  1480.197       125.6932 1594.773       
218.4456 1423.488       153.6830 86.32641 6.027271 81.91129 4.468926 4.415123 
7.503286 
1 1 1 -18 12  5  o 91.12288 3.979002  1678.060       134.4981 1979.755       
270.2639 1578.746       155.0633 95.95058 6.709057 86.29517 4.279999 9.655418 
7.958005 
1 1 1 -18 12  6  o 124.9379 3.876823  3310.165       185.2963 3382.353       
342.7573 3280.356       220.2562 125.4777 6.506405 124.3980 4.217311 1.079697 
7.753645 
1 1 1 -18 12  7  o 96.92326 3.987690  1973.131       124.8540 2062.014       
295.6472 1953.838       137.7391 97.68630 7.208769 96.16022 3.411794 1.526077 
7.975380 
1 1 1 -18 12  8  o 47.85887 4.079962  443.6686       75.89943 619.4636       
144.3463 376.4913       89.23058 53.68150 6.404746 42.03623 5.056046 11.64527 
8.159925 
1 1 1 -18 12  9  f 70.13011 3.997214  993.1951       103.6617 1181.210       
209.6139 932.3267       119.2669 73.98844 6.748036 66.27178 4.286594 7.716660 
7.994428 
1 1 1 -18 12  10 o 56.95999 3.810093  685.7369       85.32758 716.9836       
151.0737 671.0995       103.3995 57.72478 6.233725 56.19519 4.382685 1.529594 
7.620187 
1 1 1 -18 12  11 o 116.0203 4.248517  2911.896       198.6485 2833.758       
328.0225 2957.148       249.6294 114.3748 6.831158 117.6657 5.053204 -3.290939 
8.497034 
1 1 1 -18 12  12 o 53.12893 5.141065  615.6236       110.4200 615.0584       
182.0988 615.9523       138.8616 52.83654 8.209066 53.42131 6.191399 
-0.5847664     10.28213 
1 1 1 -18 12  13 o 41.71079 6.476496  393.5640       107.1249 440.2628       
178.0357 367.0616       134.1209 43.33546 9.984297 40.08611 8.251897 3.249352 
12.95299 
1 1 1 -18 12  14 o 42.51453 5.866226  411.3423       97.14448 402.0758       
166.7974 416.0990       119.5043 41.31632 9.759495 43.71275 6.511733 -2.396435 
11.73245 
1 1 1 -18 12  15 o 59.10391 4.214410  755.9900       104.3887 707.0328       
142.7877 812.1981       152.9964 57.05550 5.960932 61.15232 5.959220 -4.096817 
8.428821 
1 1 1 -18 12  16 o 65.08134 3.393093  901.6562       92.15893 823.4284       
122.4509 1003.858       139.9623 61.88844 4.712739 68.27425 4.882869 -6.385811 
6.786186 
1 1 1 -18 12  17 o 67.05450 3.738679  974.8919       105.1999 1014.700       
151.3093 937.6434       146.3640 68.38540 5.270155 65.72362 5.304372 2.661781 
7.477359 
1 1 1 -18 12  18 o 71.21852 3.720696  1096.543       110.7765 1191.975       
166.3049 1020.429       148.5222 73.93678 5.357540 68.50027 5.164404 5.436516 
7.441391 
1 1 1 -18 12  19 o 49.01089 4.464309  535.0933       91.67784 571.7037       
129.6430 498.4726       129.6611 50.79057 6.079768 47.23120 6.538857 3.559376 
8.928618 
1 1 1 -18 12  20 o 52.78394 4.510144  624.2675       99.39664 629.6847       
148.6192 619.8835       133.6980 52.81518 6.702505 52.75270 6.036723 
0.6248093E-01  9.020288 
1 1 1 -18 12  21 o 43.12621 5.177938  442.9919       89.12529 332.3802       
127.9321 547.3004       124.2336 36.81777 8.450637 49.43465 5.985891 -12.61688 
10.35588 
1 1 1 -18 12  22 o 81.77971 3.782837  1486.788       129.6825 1497.584       
188.8587 1477.155       178.3867 81.93871 5.489956 81.62071 5.205748 0.3179932 
7.565674 
1 1 1 -18 12  23 o 33.18615 6.327425  281.9934       89.68237 267.7203       
119.7194 300.2446       135.3794 32.41621 8.638112 33.95609 9.248149 -1.539879 
12.65485 
1 1 1 -18 12  24 f 23.73428 6.342579  119.3689       89.08720 190.9207       
131.5129 58.69284       121.1062 27.14849 9.423470 20.32006 8.491848 6.828432 
12.68516 
1 1 1 -18 12  25 o 21.37394 5.933616  78.69737       81.69226 163.8805       
121.0474 7.448901       110.7048 25.24954 9.013144 17.49834 7.719742 7.751202 
11.86723 
1 1 1 -18 12  26 o 41.24527 5.802235  446.9441       96.78325 462.0129       
141.2117 433.5950       132.9097 41.76916 8.347775 40.72137 8.060918 1.047783 
11.60447 
1 1 1 -18 12  27 o 24.11763 6.371294  163.7452       90.85650 97.34642       
136.0508 217.1942       122.0650 21.15818 8.928997 27.07707 9.091017 -5.918882 
12.74259 
1 1 1 -18 13  1  o 65.06537 4.110281  880.5472       106.6343 992.8157       
186.5471 826.0594       129.9599 67.87545 6.546315 62.25528 4.972263 5.620171 
8.220562 
1 1 1 -18 13  2  o 71.23560 4.203496  1095.342       118.5205 1066.140       
203.3534 1110.365       145.8544 70.25158 6.894716 72.21960 4.810449 -1.968025 
8.406993 
1 1 1 -18 13  3  o 67.90408 3.590311  980.2599       98.96024 994.3180       
162.5609 971.9830       124.7362 68.15768 5.680970 67.65049 4.391801 0.5071945 
7.180622 
1 1 1 -18 13  4  o 58.20282 4.574864  731.2383       104.7261 723.2265       
182.6009 735.1655       127.8413 57.70602 7.537074 58.69962 5.187489 
-0.9935951     9.149728 
1 1 1 -18 13  5  f 118.1022 3.792714  2788.482       172.1081 3463.400       
329.2964 2534.825       201.8758 126.9659 6.177619 109.2386 4.401788 17.72726 
7.585427 
1 1 1 -18 13  6  f 89.68727 3.799613  1721.721       123.1555 1713.230       
247.3730 1724.518       142.0051 89.13195 6.610587 90.24259 3.748119 -1.110641 
7.599227 
1 1 1 -18 13  7  o 116.8426 3.600372  2943.343       161.5561 2837.177       
292.4380 2989.976       193.8172 114.9122 6.061621 118.7730 3.886832 -3.860802 
7.200744 
1 1 1 -18 13  8  o 108.2822 3.841259  2454.640       127.4193 2591.119       
323.0310 2429.492       138.6624 109.3207 7.038221 107.2438 3.079694 2.076904 
7.682517 
1 1 1 -18 13  9  o 49.72507 5.749298  551.7780       105.0216 547.4814       
195.4142 553.5229       124.5353 48.69581 9.902555 50.75433 5.844409 -2.058517 
11.49860 
1 1 1 -18 13  10 o 80.01295 4.092807  1430.504       131.5590 1128.479       
203.5637 1647.135       172.4005 72.14168 6.721019 87.88424 4.672492 -15.74256 
8.185614 
1 1 1 -18 13  11 o 23.55392 6.584734  72.43784       100.3143 -21.92297      
161.1909 132.0846       128.1557 21.27527 9.355504 25.83258 9.268736 -4.557314 
13.16947 
1 1 1 -18 13  12 o 62.58188 3.946784  858.0652       101.7354 703.0760       
148.3438 995.6921       139.7881 56.96677 6.202531 68.19698 4.882318 -11.23021 
7.893568 
1 1 1 -18 13  13 o 22.64360 6.500539  60.93247       92.68921 71.19501       
158.4840 55.59728       114.2700 24.23900 9.873552 21.04821 8.458190 3.190783 
13.00108 
1 1 1 -18 13  14 o 62.82246 4.637870  873.1553       117.8940 824.9238       
190.9005 902.8914       149.8936 61.03176 7.450273 64.61315 5.525649 -3.581394 
9.275741 
1 1 1 -18 13  15 o 46.86633 5.010963  493.8331       94.25008 380.2287       
130.7675 616.6453       135.9638 40.60007 7.955398 53.13260 6.095134 -12.53252 
10.02193 
1 1 1 -18 13  16 o 24.81220 6.454631  122.2224       88.53719 104.7684       
121.3440 142.0930       129.4718 23.66269 8.936412 25.96171 9.316093 -2.299021 
12.90926 
1 1 1 -18 13  17 o 79.33759 3.382792  1347.539       112.0968 1213.691       
149.8392 1517.667       168.9297 74.91885 4.763822 83.75632 4.804073 -8.837471 
6.765583 
1 1 1 -18 13  18 o 58.97790 4.005061  762.3878       98.78721 789.7390       
147.2457 739.9997       133.2176 59.84311 5.860702 58.11269 5.460239 1.730415 
8.010121 
1 1 1 -18 13  19 o 19.44320 5.820118  -4.357534      89.50027 -116.5342      
129.1947 99.15273       124.1038 15.79621 7.440268 23.09019 8.951955 -7.293974 
11.64024 
1 1 1 -18 13  20 o 28.34735 6.459868  194.0238       92.23463 111.6096       
134.7200 266.7369       126.5427 23.93870 9.317481 32.75602 8.950091 -8.817320 
12.91974 
1 1 1 -18 13  21 o 30.92822 6.411224  237.9683       94.94560 131.6086       
134.2948 344.2601       134.2520 24.70216 9.379954 37.15427 8.742519 -12.45211 
12.82245 
1 1 1 -18 13  22 o 48.38465 4.744812  542.2836       95.59424 516.0568       
141.9163 564.0676       129.3388 46.98326 7.194655 49.78605 6.187883 -2.802780 
9.489624 
1 1 1 -18 13  23 o 34.11902 6.197651  299.5370       89.19988 288.8806       
123.3562 311.2158       129.1376 33.52060 8.693702 34.71743 8.835330 -1.196831 
12.39530 
1 1 1 -18 13  24 f 79.41477 3.602274  1407.875       119.4834 1504.100       
180.2631 1332.472       159.5726 81.64893 5.258689 77.18062 4.924601 4.468307 
7.204548 
1 1 1 -18 13  25 o 43.85969 5.453646  480.0845       98.25333 522.7761       
144.0016 442.8977       134.3974 46.09078 7.441738 41.62860 7.974305 4.462173 
10.90729 
1 1 1 -18 13  26 o 48.06496 5.104186  580.6315       98.32160 723.8320       
143.0364 452.3601       135.3752 54.86105 6.210168 41.26888 8.102140 13.59218 
10.20837 
1 1 1 -18 13  27 o 37.30346 6.223506  400.1287       95.47313 379.6197       
145.6694 415.5727       126.4086 35.40223 9.571450 39.20469 7.957102 -3.802467 
12.44701 
1 1 1 -18 14  1  o 86.58467 3.840036  1633.023       134.7027 1500.637       
216.1128 1717.131       172.2575 83.40427 6.171819 89.76508 4.570795 -6.360817 
7.680073 
1 1 1 -18 14  2  o 22.81174 6.521167  59.95499       97.33932 9.431874       
155.0626 92.81165       125.0471 21.95563 9.408317 23.66785 9.032500 -1.712229 
13.04233 
1 1 1 -18 14  3  o 17.49172 5.613502  -67.20535      90.36979 -188.4246      
155.3061 -5.151622      111.1186 16.70555 7.976277 18.27789 7.900926 -1.572346 
11.22700 
1 1 1 -18 14  4  o 57.06328 4.481337  671.7994       102.2226 805.5413       
179.6830 607.7997       124.2975 60.89508 7.028227 53.23148 5.561793 7.663593 
8.962673 
1 1 1 -18 14  5  o 47.40768 5.466897  402.5058       96.91612 897.7475       
183.5726 211.1273       114.1158 64.34933 6.794927 30.46604 8.566028 33.88329 
10.93379 
1 1 1 -18 14  6  o 64.27020 3.908878  836.8967       96.44364 1010.289       
183.8066 771.0244       113.2917 68.37026 6.403464 60.17015 4.484747 8.200115 
7.817756 
1 1 1 -18 14  7  o 69.52080 3.921277  936.1584       104.4995 1298.056       
204.0783 807.5459       121.6593 77.51935 6.270581 61.52225 4.710145 15.99709 
7.842554 
1 1 1 -18 14  8  o 75.44814 4.460381  1265.907       134.8419 1096.919       
217.4155 1371.541       171.8956 70.85931 7.308270 80.03698 5.115582 -9.177673 
8.920762 
1 1 1 -18 14  9  o 64.49270 3.974800  863.5823       105.6906 1089.152       
169.5221 720.1491       135.1795 71.12343 5.677207 57.86197 5.564662 13.26146 
7.949599 
1 1 1 -18 14  10 o 141.7472 4.710500  4350.099       251.8421 4430.707       
475.0765 4318.593       297.0082 141.5344 7.995078 141.9601 4.983370 
-0.4257355     9.421000 
1 1 1 -18 14  11 o 17.52987 5.718970  -126.3618      97.39664 -8.551802      
153.8090 -205.2235      125.8415 21.09979 9.209305 13.95994 6.783448 7.139852 
11.43794 
1 1 1 -18 14  12 f 84.85794 3.443615  1559.997       121.4558 1401.542       
178.4667 1696.699       165.7647 80.64561 5.271056 89.07028 4.432823 -8.424675 
6.887231 
1 1 1 -18 14  13 o 35.61634 6.825922  296.1831       102.6205 332.8810       
164.9898 273.0287       131.0552 37.19561 10.24477 34.03707 9.023169 3.158543 
13.65184 
1 1 1 -18 14  14 o 18.83267 5.972788  -80.76486      98.69344 44.45554       
156.0709 -164.2044      127.4002 22.84806 9.598949 14.81728 7.110343 8.030780 
11.94558 
1 1 1 -18 14  15 o 67.99694 3.641341  1001.852       103.9427 1015.135       
148.1434 988.9726       145.8772 68.43819 5.155905 67.55569 5.143356 0.8824921 
7.282682 
1 1 1 -18 14  16 f 35.00674 5.686552  288.3760       82.67590 364.7041       
119.4964 218.2902       114.5060 39.71833 7.441206 30.29515 8.600925 9.423182 
11.37310 
1 1 1 -18 14  17 o 46.55748 4.911839  487.1556       96.00779 484.7251       
135.8365 489.5818       135.7146 46.43177 6.968227 46.68319 6.924481 
-0.2514191     9.823677 
1 1 1 -18 14  18 o 32.81846 6.376321  262.2426       91.83264 325.3838       
133.2827 205.1766       126.7085 36.52575 8.785775 29.11116 9.243378 7.414591 
12.75264 
1 1 1 -18 14  19 o 59.51704 4.196608  795.0751       103.6621 668.7858       
147.2726 919.0844       145.9373 54.49212 6.437383 64.54197 5.385736 -10.04985 
8.393215 
1 1 1 -18 14  20 o 61.65251 4.085192  852.5389       105.2381 801.3915       
153.0404 898.4198       144.9474 59.67089 6.108921 63.63413 5.425519 -3.963238 
8.170383 
1 1 1 -18 14  21 o 28.50998 6.341268  202.1982       86.71664 148.6553       
121.6772 257.4623       123.6175 25.18000 9.031738 31.83996 8.903617 -6.659952 
12.68254 
1 1 1 -18 14  22 o 42.36877 5.501743  436.8632       93.92624 419.9716       
127.0136 457.2480       139.5304 41.61628 7.547406 43.12127 8.007083 -1.504986 
11.00349 
1 1 1 -18 14  23 o 24.65128 6.557000  133.6866       96.86462 215.0497       
137.8503 54.32983       136.1402 28.46778 9.660972 20.83479 8.868068 7.632988 
13.11400 
1 1 1 -18 14  24 o 31.16636 6.023256  257.3039       88.60219 379.5696       
124.6947 132.6253       125.9191 38.69287 7.948938 23.63986 9.051677 15.05301 
12.04651 
1 1 1 -18 14  25 o 44.68740 5.274274  501.0787       96.50748 504.1147       
142.2038 498.4866       131.3999 44.17777 7.957340 45.19703 6.924782 -1.019260 
10.54855 
1 1 1 -18 14  26 o 44.97695 5.479789  525.5574       100.2165 633.6943       
148.3741 434.8372       135.9011 50.12984 7.049899 39.82407 8.391144 10.30577 
10.95958 
1 1 1 -18 15  1  o 54.29053 4.825356  658.7330       106.6978 564.4556       
164.3789 727.3755       140.2615 50.54921 7.745557 58.03185 5.756959 -7.482632 
9.650712 
1 1 1 -18 15  2  o 97.92213 3.821625  2055.827       149.9850 2086.928       
253.4771 2039.073       186.0509 98.13854 6.152055 97.70572 4.535580 0.4328232 
7.643250 
1 1 1 -18 15  3  o 45.16750 5.632557  471.2367       99.33739 407.9298       
161.2361 509.9681       126.1157 41.82117 9.410795 48.51382 6.191909 -6.692657 
11.26511 
1 1 1 -18 15  4  f 50.31464 4.218594  531.0792       86.81912 618.7421       
143.4156 480.3700       109.0766 53.38564 6.398717 47.24365 5.499325 6.141987 
8.437188 
1 1 1 -18 15  5  o 62.67471 4.096196  782.0948       99.87637 1028.591       
188.2602 685.5422       117.8245 68.78383 6.519185 56.56558 4.961403 12.21825 
8.192392 
1 1 1 -18 15  6  f 58.24179 4.774193  678.3056       111.3818 970.5973       
196.8551 540.6704       135.0838 66.60822 7.039469 49.87537 6.451165 16.73285 
9.548386 
1 1 1 -18 15  7  o 99.97781 3.968729  2207.850       162.0075 1852.302       
246.1494 2479.574       215.1861 92.32928 6.350099 107.6263 4.762300 -15.29706 
7.937459 
1 1 1 -18 15  8  o 54.89650 4.034529  629.3788       90.33004 742.9102       
150.7027 565.7192       112.8483 58.50897 6.135073 51.28402 5.241239 7.224945 
8.069058 
1 1 1 -18 15  9  o 43.96256 5.965869  431.9180       104.4161 519.4421       
166.9287 375.6617       133.8300 47.48436 8.697433 40.44077 8.168295 7.043591 
11.93174 
1 1 1 -18 15  10 o 34.60160 5.803085  292.8371       102.0439 9.354929       
159.5904 488.8957       132.7201 21.96882 9.482159 47.23439 6.692673 -25.26557 
11.60617 
1 1 1 -18 15  11 o 29.57739 6.989005  199.3708       102.8323 154.2677       
161.4649 230.1483       133.3803 27.79449 10.34828 31.36029 9.396699 -3.565800 
13.97801 
1 1 1 -18 15  12 o 71.98592 3.850973  1094.529       113.7039 1258.141       
185.9553 996.8296       143.6967 76.00607 5.827488 67.96577 5.035907 8.040306 
7.701946 
1 1 1 -18 15  13 o 46.23241 5.846364  527.5689       101.4380 389.2720       
171.8662 601.4990       125.6594 39.93351 10.21060 52.53130 5.697676 -12.59780 
11.69273 
1 1 1 -18 15  14 o 49.83889 5.319225  548.3385       109.7028 621.3026       
173.7379 499.9588       141.4725 52.37186 7.901649 47.30592 7.123241 5.065937 
10.63845 
1 1 1 -18 15  15 o 79.61784 3.714816  1379.737       123.7118 1227.494       
171.9606 1543.065       178.1114 74.95005 5.464848 84.28564 5.033374 -9.335594 
7.429631 
1 1 1 -18 15  16 o 19.30168 5.937612  3.821412       89.90274 -7.009743      
127.6708 14.47487       126.6191 18.95153 8.329939 19.65182 8.463632 
-0.7002869     11.87522 
1 1 1 -18 15  17 o 84.05210 3.153324  1530.573       111.2722 1517.573       
157.2126 1543.622       157.5131 83.68559 4.474637 84.41862 4.444260 
-0.7330322     6.306649 
1 1 1 -18 15  18 o 53.66788 3.970576  639.1007       89.03844 625.3815       
131.4989 650.7156       120.9947 52.98280 5.911643 54.35295 5.302300 -1.370159 
7.941153 
1 1 1 -18 15  19 o 45.63106 4.822832  475.0657       92.30380 450.7256       
127.4613 501.9059       133.8472 44.39448 6.838653 46.86763 6.802327 -2.473148 
9.645663 
1 1 1 -18 15  20 o 79.74532 3.529498  1405.633       117.8488 1383.549       
172.1552 1425.107       161.6658 78.99477 5.190902 80.49588 4.783717 -1.501114 
7.058995 
1 1 1 -18 15  21 o 24.06347 6.398229  102.9998       97.26098 -17.67122      
136.7872 226.3923       138.3212 18.63272 8.372345 29.49423 9.677457 -10.86151 
12.79646 
1 1 1 -18 15  22 o 21.42335 6.373161  65.14339       97.51053 79.34328       
140.0564 51.78532       135.8416 22.05524 9.169031 20.79146 8.854242 1.263781 
12.74632 
1 1 1 -18 15  23 o 39.06894 6.144816  397.8527       98.35259 431.8306       
137.5643 362.3229       140.6708 41.23754 8.237141 36.90034 9.120559 4.337200 
12.28963 
1 1 1 -18 15  24 o 37.70164 6.106768  373.7356       95.66771 489.9041       
142.1447 277.5418       129.3480 43.71855 8.045691 31.68474 9.188979 12.03381 
12.21354 
1 1 1 -18 15  25 o 46.79523 5.265491  565.4651       98.11363 450.5620       
141.7530 671.1329       135.9369 40.65617 8.572446 52.93428 6.116762 -12.27810 
10.53098 
1 1 1 -18 15  26 o 21.06023 6.029712  102.5994       83.98273 144.2860       
121.2115 64.11066       116.4694 22.93678 8.856406 19.18368 8.184973 3.753101 
12.05942 
1 1 1 -18 16  1  o 45.65829 5.702187  501.1339       100.3024 380.2029       
162.1337 576.1108       127.6641 39.86910 9.753229 51.44749 5.910520 -11.57839 
11.40437 
1 1 1 -18 16  2  o 56.55523 4.634946  687.2688       105.2107 749.0464       
179.9437 655.1796       129.6882 58.12997 7.373227 54.98049 5.618402 3.149483 
9.269893 
1 1 1 -18 16  3  o 84.81372 4.034531  1556.753       140.3191 1573.758       
224.0390 1545.777       179.9956 84.90559 6.285047 84.72186 5.060430 0.1837234 
8.069062 
1 1 1 -18 16  4  o 31.67362 6.281168  225.9019       104.6920 8.127052       
157.1725 399.5864       140.3631 21.75808 9.400857 41.58916 8.332839 -19.83109 
12.56234 
1 1 1 -18 16  5  o 60.30933 4.077723  793.9451       101.7969 640.7950       
142.9492 951.5164       144.9979 54.18736 6.283545 66.43130 5.198882 -12.24394 
8.155446 
1 1 1 -18 16  6  o 31.77744 6.719224  240.5374       98.96317 173.3616       
153.6590 288.1514       129.3656 28.51492 10.15733 35.03997 8.798896 -6.525053 
13.43845 
1 1 1 -18 16  7  o 46.39709 5.711036  454.7962       105.1901 708.2432       
173.9182 308.6021       132.0889 56.53826 7.326958 36.25591 8.762385 20.28234 
11.42207 
1 1 1 -18 16  8  o 74.28937 4.351981  1238.979       130.3438 1055.447       
205.6357 1362.241       168.5226 69.08986 7.089332 79.48888 5.049786 -10.39902 
8.703962 
1 1 1 -18 16  9  o 25.61328 6.491971  119.6441       100.0737 -30.60730      
157.0191 222.4246       129.8669 20.42949 9.079918 30.79706 9.281048 -10.36758 
12.98394 
1 1 1 -18 16  10 o 28.44969 6.985769  157.6184       101.8101 271.2053       
167.0708 90.52229       128.4060 33.58933 10.60877 23.31005 9.091642 10.27928 
13.97154 
1 1 1 -18 16  11 o 104.2162 3.501424  2330.792       149.8085 2424.233       
240.0886 2271.217       191.7066 105.6240 5.414148 102.8085 4.441495 2.815491 
7.002848 
1 1 1 -18 16  12 o 24.06952 6.751980  82.05918       100.8129 149.4942       
160.0482 37.70571       129.7991 27.20221 10.26607 20.93682 8.772957 6.265383 
13.50396 
1 1 1 -18 16  13 o 38.33129 6.674771  353.0659       105.1526 380.2616       
166.5341 335.0342       135.6033 39.25474 10.05921 37.40784 8.776252 1.846901 
13.34954 
1 1 1 -18 16  14 f 26.47328 6.283302  157.4884       93.63542 -5.213778      
158.4464 244.8024       116.0720 21.00008 9.253828 31.94647 8.502130 -10.94639 
12.56660 
1 1 1 -18 16  15 o 67.10356 4.673800  1027.380       128.2273 896.9825       
196.2616 1124.498       169.3760 62.74625 7.450210 71.46088 5.645530 -8.714626 
9.347601 
1 1 1 -18 16  16 o 25.29548 6.458749  132.9882       90.95618 70.37639       
126.4319 200.1547       130.9500 21.81673 8.843043 28.77424 9.416067 -6.957516 
12.91750 
1 1 1 -18 16  17 f 112.9367 3.658802  2809.854       172.7395 2741.884       
254.2575 2868.121       235.4107 111.3995 5.436403 114.4739 4.898249 -3.074387 
7.317604 
1 1 1 -18 16  18 o 65.70853 3.975061  975.1666       107.6139 796.2349       
155.5805 1139.304       149.0101 59.40753 6.237849 72.00953 4.928863 -12.60200 
7.950122 
1 1 1 -18 16  19 f 39.51469 5.921938  389.8822       97.20834 282.6321       
140.3490 488.7716       134.7675 33.04995 9.567517 45.97942 6.981404 -12.92948 
11.84388 
1 1 1 -18 16  20 o 56.46286 4.374378  729.3045       103.1129 651.1982       
146.4615 806.0651       145.1942 53.17538 6.560456 59.75034 5.788019 -6.574959 
8.748756 
1 1 1 -18 16  21 o 18.24688 5.667122  -2.238971      86.14239 -65.10836      
125.4572 53.84019       118.4887 16.42641 7.616408 20.06735 8.393774 -3.640942 
11.33424 
1 1 1 -18 16  22 o 38.33281 6.379738  385.8522       101.1845 426.6708       
145.3392 347.4593       140.9546 40.57135 8.780806 36.09428 9.257520 4.477074 
12.75948 
1 1 1 -18 16  23 o 57.39976 4.719506  781.3804       111.3079 599.0461       
152.6716 988.2662       162.6257 49.55741 7.337880 65.24210 5.937209 -15.68470 
9.439012 
1 1 1 -18 16  24 o 14.87770 5.013135  -105.2965      87.37572 -145.1868      
123.4789 -65.29089      123.6571 13.98334 6.772050 15.77207 7.393608 -1.788724 
10.02627 
1 1 1 -18 16  25 o 59.09823 4.282032  836.5941       105.7846 922.2382       
158.8309 768.3176       141.8150 61.69659 6.131895 56.49987 5.978550 5.196728 
8.564065 
1 1 1 -18 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 17  2  f 39.85461 7.100365  397.8531       123.4801 257.1323       
181.4255 519.2949       168.5401 32.78510 11.08322 46.92411 8.878225 -14.13902 
14.20073 
1 1 1 -18 17  3  o 37.11581 6.226508  345.0498       104.5033 152.5080       
160.2926 487.3883       137.8200 27.42243 10.29057 46.80919 7.012972 -19.38676 
12.45302 
1 1 1 -18 17  4  o 25.40663 6.805787  122.7397       101.0737 81.40468       
153.9907 154.0256       133.9708 24.07861 9.759555 26.73466 9.488204 -2.656052 
13.61157 
1 1 1 -18 17  5  o 35.40829 6.910437  304.1800       105.6482 290.8027       
162.0892 314.0608       139.3042 34.58749 10.35773 36.22909 9.150629 -1.641602 
13.82087 
1 1 1 -18 17  6  o 24.51611 6.646388  87.94493       97.63357 187.1462       
153.9457 21.19686       126.2782 28.93666 10.18091 20.09556 8.546746 8.841099 
13.29278 
1 1 1 -18 17  7  o 29.17756 6.749505  197.5063       100.8970 97.98805       
156.4683 268.3430       132.0093 24.86444 9.936569 33.49068 9.137170 -8.626247 
13.49901 
1 1 1 -18 17  8  o 66.48586 3.688556  973.2657       101.2631 847.2604       
150.5535 1077.364       136.8418 62.25953 5.759781 70.71219 4.609414 -8.452660 
7.377112 
1 1 1 -18 17  9  o 34.22241 5.879975  288.4306       84.80405 203.4226       
131.8957 348.3393       110.7251 29.42148 9.439704 39.02334 7.013447 -9.601856 
11.75995 
1 1 1 -18 17  10 o 79.53806 3.951401  1414.236       127.9464 1219.227       
197.8131 1554.499       167.7642 74.25875 6.344954 84.81738 4.711245 -10.55862 
7.902801 
1 1 1 -18 17  11 o 52.85777 5.231600  633.0195       111.8149 621.1619       
182.8060 640.1075       141.3371 51.93224 8.384447 53.78329 6.259360 -1.851051 
10.46320 
1 1 1 -18 17  12 o 21.01449 6.278382  39.43549       92.44293 7.940888       
159.1536 55.47101       113.5639 21.43678 9.362060 20.59220 8.368044 0.8445759 
12.55676 
1 1 1 -18 17  13 o 53.98664 5.643155  709.7238       116.4675 536.6016       
182.5610 828.5444       151.2437 46.74780 9.631218 61.22548 5.883914 -14.47767 
11.28631 
1 1 1 -18 17  14 o 81.07007 4.327251  1462.477       142.2519 1464.774       
232.6789 1461.106       179.7590 80.50666 6.884086 81.63348 5.244976 -1.126816 
8.654502 
1 1 1 -18 17  15 o 35.54542 6.878221  315.1349       104.8198 354.8072       
160.6276 285.7110       138.3333 37.30278 10.03544 33.78805 9.409021 3.514732 
13.75644 
1 1 1 -18 17  16 o 20.69185 6.166341  40.18652       91.89802 11.04233       
126.7947 72.43768       133.3822 19.29169 8.390813 22.09202 9.038214 -2.800335 
12.33268 
1 1 1 -18 17  17 o 19.28331 5.963939  7.913689       91.85995 -4.715545      
133.9501 19.12626       126.2139 19.10431 8.451721 19.46232 8.416809 
-0.3580132     11.92788 
1 1 1 -18 17  18 o 28.28768 6.669655  201.5216       93.72556 172.0032       
137.1286 227.4009       128.3977 26.70683 9.587195 29.86853 9.274852 -3.161701 
13.33931 
1 1 1 -18 17  19 o 68.99503 3.856813  1070.843       110.6932 910.6478       
156.0332 1233.152       157.0594 63.44316 5.858054 74.54690 5.018288 -11.10374 
7.713625 
1 1 1 -18 17  20 o 34.89162 6.343369  313.0424       99.14882 461.2974       
145.0619 183.0606       135.8283 42.91392 8.349445 26.86933 9.551969 16.04459 
12.68674 
1 1 1 -18 17  21 o 57.19067 4.082454  747.7070       97.79743 689.2647       
137.5268 807.4938       139.0995 54.75732 5.982272 59.62401 5.556810 -4.866684 
8.164907 
1 1 1 -18 17  22 o 22.31966 6.386650  96.33089       93.48426 147.3361       
139.5816 54.84151       125.8895 24.53724 9.497747 20.10208 8.541076 4.435167 
12.77330 
1 1 1 -18 17  23 o 42.81099 5.900698  478.6790       103.6711 577.1409       
150.2532 389.2129       143.2252 48.13992 7.434289 37.48206 9.165387 10.65787 
11.80140 
1 1 1 -18 17  24 o 29.52468 6.004310  244.8844       96.61835 46.55230       
140.8120 421.3322       132.8163 19.66070 8.685823 39.38865 8.292372 -19.72795 
12.00862 
1 1 1 -18 17  25 o 21.10556 6.859040  33.28998       145.3277 -121.8074      
236.1060 127.8919       184.3974 19.25590 9.336386 22.95522 10.05075 -3.699314 
13.71808 
1 1 1 -18 18  1  o 22.62435 6.867027  26.85133       118.0196 83.84851       
173.2170 -22.53388      161.2361 24.68121 10.22480 20.56748 9.169387 4.113733 
13.73405 
1 1 1 -18 18  2  o 68.70263 4.950172  1065.178       141.5749 909.7856       
199.0273 1224.342       201.4285 63.27900 7.491592 74.12626 6.472469 -10.84726 
9.900344 
1 1 1 -18 18  3  o 23.63555 10.21420  33.52604       185.6198 33.52604       
185.6198 0.000000       0.000000 23.63555 10.21420 ?        ?        ? ? 
1 1 1 -18 18  4  o 23.60584 6.767475  81.55598       105.2647 48.10934       
155.1622 110.0762       143.2802 22.61747 9.539732 24.59421 9.601479 -1.976738 
13.53495 
1 1 1 -18 18  5  o 28.76365 6.933690  176.0436       102.0655 280.3571       
159.7480 104.0885       132.6771 33.63877 10.32520 23.88852 9.257130 9.750248 
13.86738 
1 1 1 -18 18  6  o 53.98754 4.989862  649.5055       110.4231 681.3322       
177.7281 629.4956       140.9231 54.69381 7.739964 53.28127 6.299829 1.412544 
9.979724 
1 1 1 -18 18  7  o 64.88225 4.640812  988.7191       118.2934 732.6631       
186.0947 1162.336       153.2364 56.64627 7.824990 73.11823 4.991801 -16.47195 
9.281624 
1 1 1 -18 18  8  f 27.86057 6.924076  170.6834       98.88046 217.2897       
157.7665 140.5314       126.8969 30.18777 10.33533 25.53338 9.216957 4.654381 
13.84815 
1 1 1 -18 18  9  o 23.03355 6.615118  78.66949       99.40074 50.70525       
158.9672 96.62268       127.3729 22.83429 9.644791 23.23280 9.056331 
-0.3985062     13.23024 
1 1 1 -18 18  10 o 106.2988 4.308708  2522.307       186.6330 2435.444       
298.6525 2577.963       239.0612 104.0462 6.836932 108.5515 5.245592 -4.505325 
8.617416 
1 1 1 -18 18  11 o 67.94174 4.761734  1039.438       130.3410 1035.059       
215.7854 1041.954       163.5475 67.16341 7.652623 68.72009 5.668671 -1.556679 
9.523469 
1 1 1 -18 18  12 o 85.26965 4.241117  1666.177       144.9391 1407.571       
230.4117 1835.512       186.4480 78.78904 6.965621 91.75027 4.840292 -12.96124 
8.482234 
1 1 1 -18 18  13 o 90.19121 4.231231  1827.025       148.5596 1770.735       
261.2846 1853.916       180.5905 88.12334 7.062263 92.25906 4.662372 -4.135719 
8.462462 
1 1 1 -18 18  14 o 53.48277 5.318744  639.5254       113.5724 886.6861       
180.4172 477.2978       146.1675 62.35399 6.891833 44.61154 8.103011 17.74245 
10.63749 
1 1 1 -18 18  15 o 53.02510 5.642374  703.0161       113.7418 507.8033       
176.9654 840.4247       148.4709 44.70424 9.701227 61.34597 5.764694 -16.64173 
11.28475 
1 1 1 -18 18  16 f 23.02184 6.359944  82.98579       95.87830 180.8592       
135.4222 -15.38129      135.7632 27.23079 9.551895 18.81289 8.399813 8.417896 
12.71989 
1 1 1 -18 18  17 o 24.49946 6.218769  133.4022       88.38023 33.18832       
136.2845 206.1349       116.1040 20.39520 8.782221 28.60373 8.807096 -8.208530 
12.43754 
1 1 1 -18 18  18 o 35.97277 5.448254  323.4254       80.97385 246.9352       
121.4706 384.5998       108.6308 30.99215 8.877834 40.95339 6.318066 -9.961243 
10.89651 
1 1 1 -18 18  19 o 25.26098 6.233563  154.9601       85.76810 82.17867       
127.9387 214.3681       115.5883 21.70175 8.860754 28.82022 8.770193 -7.118477 
12.46713 
1 1 1 -18 18  20 o 74.53726 3.709012  1250.552       115.9803 1216.487       
160.2791 1287.994       168.0376 73.52420 5.192396 75.55032 5.297746 -2.026123 
7.418025 
1 1 1 -18 18  21 o 52.67422 5.036393  669.8257       111.1961 649.7396       
159.7734 688.6938       154.8521 51.67104 7.365092 53.67740 6.871421 -2.006359 
10.07279 
1 1 1 -18 18  22 o 65.24600 4.539724  1016.419       122.9597 1010.014       
187.0958 1021.288       163.1383 64.43432 6.916207 66.05769 5.882386 -1.623375 
9.079449 
1 1 1 -18 18  23 o 32.85485 6.156428  313.1055       99.12394 133.0767       
141.9222 484.5695       138.5051 22.96770 9.347532 42.74200 8.014367 -19.77430 
12.31286 
1 1 1 -18 18  24 o 45.05572 7.659739  561.7911       121.6916 858.3823       
270.0489 486.2173       136.3167 47.57320 13.10836 42.53824 7.928259 5.034958 
15.31948 
1 1 1 -18 19  1  o 29.89509 7.472837  211.1683       119.4179 294.8571       
175.3478 138.7771       163.0833 33.67187 10.89223 26.11830 10.23389 7.553568 
14.94567 
1 1 1 -18 19  2  o 30.15041 7.133442  182.2389       119.0157 390.8682       
180.8241 22.78045       158.0856 38.71004 10.75020 21.59078 9.379619 17.11926 
14.26688 
1 1 1 -18 19  3  o 45.12544 6.424935  503.9208       116.5133 445.0021       
184.0701 543.3093       150.5018 41.55918 10.53172 48.69170 7.362203 -7.132526 
12.84987 
1 1 1 -18 19  4  o 31.63755 9.911089  250.2271       146.1870 0.000000       
0.000000 250.2271       146.1870 ?        ?        31.63755 9.911089 ? ? 
1 1 1 -18 19  5  o 27.56014 7.306469  147.7449       114.4605 258.1613       
183.8245 77.82842       146.2772 32.03397 11.13901 23.08630 9.458350 8.947666 
14.61294 
1 1 1 -18 19  6  f 25.91948 6.924962  132.4073       102.0688 195.7066       
161.9374 90.68472       131.4720 28.85708 10.41250 22.98187 9.132373 5.875210 
13.84992 
1 1 1 -18 19  7  o 24.07580 6.564201  96.66493       91.17151 177.5062       
154.5681 53.53191       112.9038 27.83420 10.16001 20.31739 8.314387 7.516809 
13.12840 
1 1 1 -18 19  8  o 49.18203 5.556696  565.1825       107.9121 568.3007       
176.0478 563.3058       136.5792 48.31442 9.014386 50.04963 6.499871 -1.735210 
11.11339 
1 1 1 -18 19  9  o 57.27985 4.146192  718.7086       98.97523 837.4630       
150.7453 628.7234       131.2211 61.38595 5.849193 53.17374 5.877974 8.212204 
8.292384 
1 1 1 -18 19  10 o 59.05093 4.710551  799.1059       114.8353 703.8540       
170.9492 877.4337       155.0200 55.33090 7.359027 62.77097 5.882338 -7.440075 
9.421103 
1 1 1 -18 19  11 o 35.75920 6.958048  325.9182       106.8035 329.8839       
165.6701 323.0979       139.7117 35.61575 10.42219 35.90265 9.221484 
-0.2869034     13.91610 
1 1 1 -18 19  12 o 68.39607 4.721898  1102.122       128.1382 908.8120       
205.4490 1225.194       163.9297 62.29041 7.856044 74.50172 5.240980 -12.21131 
9.443796 
1 1 1 -18 19  13 o 22.66014 6.649376  72.73177       104.7818 29.07285       
159.4229 105.9353       139.0294 21.63785 9.409933 23.68244 9.397339 -2.044586 
13.29875 
1 1 1 -18 19  14 o 54.96465 5.495971  748.7213       115.6486 553.5941       
177.6805 892.1477       152.3335 46.83295 9.367687 63.09636 5.750586 -16.26341 
10.99194 
1 1 1 -18 19  15 o 24.43288 6.860430  119.0846       103.5133 136.3795       
161.4497 107.0128       134.8853 25.47761 10.12138 23.38816 9.263895 2.089451 
13.72086 
1 1 1 -18 19  16 o 24.29574 6.286601  131.7574       86.74889 73.16517       
125.0728 186.0734       120.4223 21.37221 8.749346 27.21926 9.029637 -5.847054 
12.57320 
1 1 1 -18 19  17 o 41.58739 5.307644  419.3133       89.71630 388.5072       
133.1036 444.9618       121.4515 39.36782 8.311245 43.80695 6.603601 -4.439129 
10.61529 
1 1 1 -18 19  18 o 34.26910 6.527935  308.6642       96.30624 356.5797       
141.6411 267.4665       131.3370 36.79900 9.186559 31.73919 9.277008 5.059818 
13.05587 
1 1 1 -18 19  19 o 33.01744 6.431878  299.5039       98.33356 180.8153       
145.6949 398.8036       133.2643 26.47970 9.835679 39.55518 8.290696 -13.07547 
12.86376 
1 1 1 -18 19  20 f 21.36790 6.269396  59.04976       98.32312 159.4775       
140.1244 -38.35543      137.9997 25.07877 9.564286 17.65702 8.108376 7.421753 
12.53879 
1 1 1 -18 19  21 o 40.99065 5.156538  418.1565       86.75151 453.7568       
125.0463 385.1237       120.4529 43.17487 6.898600 38.80642 7.666085 4.368443 
10.31308 
1 1 1 -18 19  22 o 17.84358 5.739910  -33.21905      99.70019 -151.4663      
143.9989 75.65836       138.1760 15.05160 7.295832 20.63557 8.863244 -5.583977 
11.47982 
1 1 1 -18 19  23 o 46.84684 5.415039  574.7509       106.4496 579.7428       
153.0680 570.0754       148.1380 46.90255 7.773366 46.79113 7.540912 0.1114197 
10.83008 
1 1 1 -18 20  1  o 34.43642 6.815828  307.7784       123.8102 54.80278       
183.9588 517.2574       167.3985 23.44633 10.15087 45.42651 9.098454 -21.98018 
13.63166 
1 1 1 -18 20  2  f 48.28580 6.383811  581.3227       124.2200 535.8552       
190.4557 614.9839       163.8732 45.34969 10.24416 51.22192 7.620317 -5.872231 
12.76762 
1 1 1 -18 20  3  o 29.75692 7.352233  215.9957       110.4343 268.6984       
181.1868 184.8441       139.2997 31.94797 11.06363 27.56588 9.685944 4.382084 
14.70447 
1 1 1 -18 20  4  o 18.86502 6.103743  -65.73518      111.3560 -178.1485      
175.4393 10.10988       144.1059 17.51084 8.388606 20.21920 8.868708 -2.708363 
12.20749 
1 1 1 -18 20  5  f 20.00797 6.336247  -21.01377      110.8256 -67.28487      
163.3647 18.43696       150.8450 19.13928 8.802928 20.87665 9.115951 -1.737370 
12.67249 
1 1 1 -18 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -18 20  7  o 45.25240 6.205627  518.4288       110.7650 422.5621       
177.7381 579.3014       141.6307 40.10032 10.45205 50.40449 6.692822 -10.30417 
12.41125 
1 1 1 -18 20  8  o 24.20170 6.792461  110.5591       100.8824 128.3024       
160.6941 99.01710       129.6054 25.38368 10.09338 23.01973 9.092511 2.363949 
13.58492 
1 1 1 -18 20  9  o 21.63846 6.419775  52.51330       101.1025 -25.92715      
159.5626 105.1297       130.6837 19.96229 9.002048 23.31462 9.155172 -3.352327 
12.83955 
1 1 1 -18 20  10 o 22.23812 6.462785  66.44395       101.8585 -37.13321      
162.4750 133.5121       130.7412 19.79011 8.989287 24.68614 9.287792 -4.896029 
12.92557 
1 1 1 -18 20  11 f 35.60348 6.694109  302.3185       104.9949 489.6542       
168.4342 183.2618       134.2756 43.87736 9.415003 27.32960 9.518516 16.54776 
13.38822 
1 1 1 -18 20  12 o 27.93309 6.917774  195.5821       103.1725 129.5568       
159.7384 242.8401       135.1424 25.17556 10.04676 30.69062 9.512362 -5.515057 
13.83555 
1 1 1 -18 20  13 o 66.40469 4.586361  1012.401       125.7165 1003.080       
195.1444 1019.013       164.3702 65.59919 7.085632 67.21020 5.825175 -1.611008 
9.172723 
1 1 1 -18 20  14 o 52.34426 5.298859  642.4131       113.8454 682.3287       
182.6118 617.0364       145.6047 53.07581 8.195082 51.61271 6.719544 1.463097 
10.59772 
1 1 1 -18 20  15 o 29.59617 6.177968  215.3188       103.9527 -20.51910      
158.0226 395.2347       138.0217 19.67282 8.910275 39.51952 8.560147 -19.84670 
12.35594 
1 1 1 -18 20  16 o 40.03676 5.843350  407.5176       94.12350 363.0154       
150.0557 436.3849       120.8552 36.83188 9.605321 43.24164 6.657084 -6.409763 
11.68670 
1 1 1 -18 20  17 o 21.70821 6.220021  59.27539       95.32726 173.2964       
137.4775 -46.31565      132.2978 26.12890 9.577531 17.28752 7.938864 8.841381 
12.44004 
1 1 1 -18 20  18 o 49.90490 5.154598  604.4178       107.2937 560.5455       
155.8803 643.9163       147.9060 47.71893 7.780754 52.09086 6.763091 -4.371933 
10.30920 
1 1 1 -18 20  19 o 44.26585 5.778199  502.3465       104.7092 457.3469       
149.9526 545.1678       146.2780 41.41408 8.880861 47.11762 7.394635 -5.703541 
11.55640 
1 1 1 -18 20  20 o 27.66596 6.528091  216.6947       89.92941 247.6178       
125.8101 184.3878       128.5944 29.54140 9.182460 25.79052 9.281504 3.750875 
13.05618 
1 1 1 -18 20  21 o 48.91764 5.750471  644.6572       111.5139 499.7862       
161.7489 775.8928       153.9490 41.55915 9.477071 56.27613 6.515888 -14.71698 
11.50094 
1 1 1 -18 20  22 f 31.76760 6.456736  303.9795       94.46944 223.6718       
135.3156 380.3395       131.9479 26.94925 9.538592 36.58595 8.704768 -9.636698 
12.91347 
1 1 1 -18 21  1  o 24.42681 6.878852  120.5589       111.4132 15.28540       
182.3103 183.3106       140.7552 21.84825 9.745028 27.00538 9.711273 -5.157133 
13.75770 
1 1 1 -18 21  2  o 26.56669 7.108809  128.8815       110.0552 300.8106       
184.5685 34.02456       137.0937 32.78857 11.17881 20.34481 8.784921 12.44376 
14.21762 
1 1 1 -18 21  3  o 50.82430 6.421269  675.1586       122.4918 565.9776       
210.7898 730.8259       150.5135 45.17602 11.16376 56.47257 6.348321 -11.29655 
12.84254 
1 1 1 -18 21  4  o 67.89307 4.941538  1078.340       138.3782 859.2953       
193.9011 1305.690       197.5424 60.12938 7.680943 75.65676 6.219188 -15.52738 
9.883076 
1 1 1 -18 21  5  o 28.17626 7.309165  199.0036       113.4162 212.7377       
161.8324 185.7468       158.9948 28.83087 10.40852 27.52164 10.26441 1.309223 
14.61833 
1 1 1 -18 21  6  o 46.37060 6.412323  542.0093       120.2406 566.6985       
175.4028 520.1217       165.1515 47.30934 9.157881 45.43185 8.978017 1.877483 
12.82465 
1 1 1 -18 21  7  o 19.18881 6.117758  -30.32997      102.4132 28.85710       
160.9702 -70.58047      132.7449 21.46209 9.393852 16.91553 7.839859 4.546562 
12.23552 
1 1 1 -18 21  8  o 28.75947 10.45337  211.2419       163.4724 211.2419       
163.4724 0.000000       0.000000 28.75947 10.45337 ?        ?        ? ? 
1 1 1 -18 21  9  o 34.26945 7.041370  315.7692       107.9258 280.2160       
163.4565 343.2491       143.7045 32.19245 10.52005 36.34645 9.362265 -4.154007 
14.08274 
1 1 1 -18 21  10 o 17.14681 5.688633  -96.30009      101.2766 -68.65014      
160.3730 -114.6414      130.6171 18.65418 8.634744 15.63944 7.408331 3.014739 
11.37727 
1 1 1 -18 21  11 o 44.40287 6.296824  522.6613       111.9302 377.2354       
174.6378 624.0497       145.8182 36.93464 10.66608 51.87111 6.695873 -14.93647 
12.59365 
1 1 1 -18 21  12 o 52.54554 5.540294  687.0085       113.7528 565.9933       
175.4620 774.7476       149.4033 46.89999 9.240201 58.19108 6.115398 -11.29109 
11.08059 
1 1 1 -18 21  13 o 53.22488 4.506747  647.4690       100.0957 751.3444       
150.1576 564.3965       134.2825 57.10903 6.262729 49.34074 6.482384 7.768291 
9.013494 
1 1 1 -18 21  14 o 26.65879 6.775228  183.5282       97.41686 139.3159       
160.5090 209.3116       122.5740 25.02727 10.03803 28.29031 9.102354 -3.263046 
13.55046 
1 1 1 -18 21  15 o 20.40430 6.352669  20.97882       103.9744 69.94653       
163.2621 -12.43315      134.8596 22.40112 9.628360 18.40747 8.289770 3.993650 
12.70534 
1 1 1 -18 21  16 o 45.73016 5.937433  527.6533       99.47420 536.8676       
186.8619 524.0095       117.5082 43.77865 10.32258 47.68168 5.869993 -3.903030 
11.87487 
1 1 1 -18 21  17 o 19.38739 6.026013  23.75259       94.78613 56.81376       
139.3689 -4.701031      129.2931 20.67766 8.892061 18.09711 8.135267 2.580549 
12.05203 
1 1 1 -18 21  18 o 25.29205 6.605104  166.8211       99.06118 73.86028       
147.4206 243.3529       133.7608 21.35053 9.162103 29.23357 9.516589 -7.883039 
13.21021 
1 1 1 -18 21  19 o 26.07653 6.345768  184.9766       90.21255 93.86021       
127.5319 276.2299       127.6278 21.16496 8.771089 30.98810 9.172954 -9.823139 
12.69154 
1 1 1 -18 21  20 o 37.31713 6.766097  414.2211       106.7134 432.4669       
150.1587 395.6030       151.6838 38.45892 9.372443 36.17535 9.761023 2.283573 
13.53219 
1 1 1 -18 21  21 o 45.89442 6.065436  587.3852       113.3601 521.7698       
164.5493 646.6565       156.3924 41.92192 9.558044 49.86691 7.470063 -7.944988 
12.13087 
1 1 1 -18 22  1  o 56.06340 6.153542  776.2364       130.8760 872.1899       
234.9329 733.0591       157.5945 56.43659 10.29717 55.69021 6.740365 0.7463799 
12.30708 
1 1 1 -18 22  2  o 35.86096 7.227869  363.5138       113.9490 336.6004       
181.6249 380.9836       146.3308 33.89609 11.08931 37.82583 9.273376 -3.929741 
14.45574 
1 1 1 -18 22  3  o 27.76940 6.854738  183.2367       116.4006 -14.34670      
175.1351 339.5788       155.7886 20.49273 9.314960 35.04608 10.05889 -14.55335 
13.70948 
1 1 1 -18 22  4  o 39.07389 6.164080  386.9245       119.6246 81.98261       
163.9604 733.9966       174.9203 22.94390 9.747910 55.20388 7.547303 -32.25999 
12.32816 
1 1 1 -18 22  5  f 63.02560 5.499009  984.9711       139.7702 751.2095       
205.3726 1186.661       190.7646 54.46403 8.981602 71.58718 6.347220 -17.12315 
10.99802 
1 1 1 -18 22  6  o 89.63297 4.393691  1852.426       165.2088 1769.925       
233.1140 1935.677       234.1708 87.45051 6.349318 91.81543 6.074886 -4.364922 
8.787382 
1 1 1 -18 22  7  o 21.09874 5.975478  -12.10428      104.9871 -323.2304      
163.9970 203.9467       136.6614 14.29153 7.099227 27.90595 9.613860 -13.61441 
11.95096 
1 1 1 -18 22  8  o 34.08251 7.018326  314.7825       105.5460 334.7499       
162.8338 300.3151       138.6055 34.65415 10.38226 33.51087 9.446494 1.143284 
14.03665 
1 1 1 -18 22  9  o 45.87299 5.978461  531.6967       111.5661 478.0002       
163.4987 578.4846       152.6192 42.59501 9.395046 49.15098 7.396019 -6.555965 
11.95692 
1 1 1 -18 22  10 o 30.93766 7.499963  264.6022       118.4159 211.1219       
162.5779 325.0344       172.8218 28.17148 10.40472 33.70383 10.80461 -5.532351 
14.99993 
1 1 1 -18 22  11 o 32.39192 6.167393  251.9851       91.12547 436.0339       
144.4024 130.1896       117.4691 41.20317 8.625806 23.58067 8.817167 17.62250 
12.33479 
1 1 1 -18 22  12 o 44.50243 6.460567  530.6813       115.9649 443.7480       
181.7086 590.4185       150.6277 39.39386 10.70777 49.61100 7.231826 -10.21714 
12.92113 
1 1 1 -18 22  13 o 40.57941 6.717744  437.5640       111.0626 494.2668       
174.6461 399.0629       143.9106 42.33084 9.978346 38.82797 8.996941 3.502876 
13.43549 
1 1 1 -18 22  14 o 38.61142 6.120542  429.6349       101.4204 235.8898       
163.5671 550.6495       129.2705 28.82077 10.45830 48.40206 6.361457 -19.58129 
12.24108 
1 1 1 -18 22  15 o 52.16511 5.823971  693.6516       119.8310 695.8502       
194.2319 692.3006       152.2623 50.60498 9.492391 53.72525 6.750486 -3.120270 
11.64794 
1 1 1 -18 22  16 o 39.99588 6.508453  467.2041       103.9879 367.3959       
189.5658 510.1659       124.3707 33.77826 11.32914 46.21349 6.410184 -12.43523 
13.01691 
1 1 1 -18 22  17 o 20.23260 6.363189  43.17374       104.8918 57.02343       
175.9661 35.54023       130.6385 21.38829 9.555984 19.07691 8.404991 2.311382 
12.72638 
1 1 1 -18 22  18 o 66.43761 4.469896  1072.086       124.4593 1112.867       
182.5389 1036.657       170.1387 67.43110 6.447869 65.44411 6.192322 1.986992 
8.939792 
1 1 1 -18 22  19 o 22.00284 6.514833  117.0263       101.1443 112.9502       
143.7559 121.0221       142.3339 21.85646 9.198812 22.14923 9.227895 
-0.2927666     13.02967 
1 1 1 -18 23  1  o 61.09453 5.818699  998.8782       134.7953 785.8429       
212.6452 1141.986       174.2855 52.58475 9.992915 69.60431 5.964117 -17.01955 
11.63740 
1 1 1 -18 23  2  o 32.37115 7.051294  264.2717       108.2373 498.2163       
184.1036 140.6976       133.8042 40.96193 10.61941 23.78037 9.279613 17.18156 
14.10259 
1 1 1 -18 23  3  o 26.96640 6.984044  176.4544       111.2502 327.3119       
166.1540 53.86505       149.7800 33.04222 10.59429 20.89058 9.103214 12.15164 
13.96809 
1 1 1 -18 23  4  o 35.42899 7.213685  357.3635       114.2494 449.7574       
170.8024 282.5512       153.6945 39.65559 10.20230 31.20239 10.20108 8.453207 
14.42737 
1 1 1 -18 23  5  o 32.82600 7.353123  297.9424       116.5708 444.8007       
181.2391 194.3216       152.2391 38.86423 10.75196 26.78777 10.03340 12.07646 
14.70625 
1 1 1 -18 23  6  o 28.91082 7.468293  239.1288       117.8336 241.3749       
176.7097 237.3305       158.1196 28.92849 10.81478 28.89315 10.30254 
0.3534317E-01  14.93659 
1 1 1 -18 23  7  o 30.40570 7.016016  254.9678       100.4173 294.5130       
164.5922 231.5209       126.7373 31.69334 10.55654 29.11806 9.244316 2.575283 
14.03203 
1 1 1 -18 23  8  o 27.75569 6.582567  140.2160       103.3203 410.9796       
170.1261 -18.00912      130.0509 37.74151 10.40648 17.76987 8.063866 19.97164 
13.16513 
1 1 1 -18 23  9  o 23.57665 6.689249  111.9317       100.0384 195.3439       
160.2575 58.67646       128.0515 26.85574 10.23230 20.29756 8.618826 6.558182 
13.37850 
1 1 1 -18 23  10 o 23.76109 6.566585  135.3266       96.01007 93.67075       
154.4403 161.5658       122.5738 22.54052 9.512890 24.98166 9.054562 -2.441147 
13.13317 
1 1 1 -18 23  11 f 25.02008 8.897080  163.9434       117.8493 0.000000       
0.000000 163.9434       117.8493 ?        ?        25.02008 8.897080 ? ? 
1 1 1 -18 23  12 o 39.56348 6.922644  381.1754       104.1628 623.7005       
206.1242 298.0024       120.7096 45.83732 10.86315 33.28963 8.583935 12.54769 
13.84529 
1 1 1 -18 23  13 o 23.88571 6.435437  138.9258       99.75042 2.807981       
160.9394 223.8335       127.1096 19.62144 8.921731 28.14999 9.276968 -8.528545 
12.87087 
1 1 1 -18 23  14 o 38.36931 6.761412  421.8454       105.0621 429.5002       
180.2733 417.9081       129.2881 36.86814 10.89847 39.87048 8.005635 -3.002342 
13.52282 
1 1 1 -18 23  15 o 24.24065 6.864139  117.3391       106.3369 299.3469       
179.9903 19.74954       131.7970 29.99753 10.96237 18.48378 8.263906 11.51374 
13.72828 
1 1 1 -18 23  16 o 45.28961 6.275978  549.5311       106.9825 631.3414       
198.2515 515.9205       127.0724 44.92001 10.65874 45.65921 6.628935 
-0.7392082     12.55196 
1 1 1 -18 23  17 o 21.39176 6.574453  93.78094       108.5613 70.72534       
181.1774 106.6957       135.5999 21.33898 9.609297 21.44454 8.975252 
-0.1055527     13.14891 
1 1 1 -18 24  1  o 39.81641 7.396828  499.4096       123.1935 528.3677       
199.5638 481.5798       156.5919 39.15472 11.43262 40.47809 9.388688 -1.323368 
14.79366 
1 1 1 -18 24  2  o 27.90233 7.167343  250.7808       111.6496 191.7931       
165.6423 299.8946       151.1446 25.17765 10.15617 30.62701 10.11610 -5.449356 
14.33469 
1 1 1 -18 24  3  o 23.24508 6.801949  138.2043       107.1733 166.1496       
164.7123 117.6863       141.1362 24.32392 10.01295 22.16623 9.209061 2.157684 
13.60390 
1 1 1 -18 24  4  o 25.27555 7.010542  170.5015       111.8558 282.5840       
168.5456 82.28093       149.5317 29.40881 10.62172 21.14229 9.152593 8.266520 
14.02108 
1 1 1 -18 24  5  o 23.09860 6.821921  126.1966       112.5647 67.90610       
163.0157 179.3199       155.6226 21.15278 9.345214 25.04442 9.940895 -3.891636 
13.64384 
1 1 1 -18 24  6  o 17.30319 5.744525  -83.32742      108.9597 24.24083       
153.8461 -191.5867      154.3395 19.59135 8.836799 15.01504 7.342293 4.576304 
11.48905 
1 1 1 -18 24  7  o 28.04502 6.958616  219.9062       106.6323 355.9813       
161.7219 115.2468       141.8302 33.74730 10.39496 22.34275 9.253872 11.40455 
13.91723 
1 1 1 -18 24  8  o 29.82011 5.977066  174.2719       102.5863 528.2483       
162.3016 -61.23586      132.3849 43.35361 9.196143 16.28660 7.637554 27.06701 
11.95413 
1 1 1 -18 24  9  o 29.34304 6.920671  263.8765       101.4631 225.5009       
158.9846 290.2471       131.7915 27.14827 10.23597 31.53781 9.317068 -4.389532 
13.84134 
1 1 1 -18 24  10 o 20.12359 6.303589  51.08386       100.5239 51.91104       
177.7521 50.69492       121.8872 21.12531 9.515279 19.12187 8.270453 2.003437 
12.60718 
1 1 1 -18 24  11 o 20.76069 6.391266  73.96571       98.86938 66.41216       
181.7475 77.14053       117.8293 21.54098 9.665618 19.98040 8.364744 1.560583 
12.78253 
1 1 1 -18 24  12 o 29.17340 6.911423  271.8017       101.7840 215.5522       
186.8509 295.5356       121.3724 26.15904 10.69902 32.18777 8.752265 -6.028728 
13.82285 
1 1 1 -18 24  13 f 23.40852 9.775444  146.0651       160.3060 0.000000       
0.000000 146.0651       160.3060 ?        ?        23.40852 9.775444 ? ? 
1 1 1 -18 24  14 o 18.51453 5.949327  6.049859       104.3744 -139.0305      
187.8116 70.88010       125.5471 17.26438 8.359446 19.76468 8.467447 -2.500307 
11.89865 
1 1 1 -18 24  15 o 16.85491 5.534137  -36.64946      92.26437 25.03826       
142.9684 -80.67716      120.7824 18.81925 8.501971 14.89057 7.086831 3.928683 
11.06827 
1 1 1 -18 25  7  o 18.77433 6.098697  -6.522779      112.3244 68.86657       
155.5782 -88.60658      162.3388 20.56708 9.102448 16.98158 8.119226 3.585501 
12.19739 
1 1 1 -18 25  8  o 26.11798 6.896883  211.1820       100.9655 221.3299       
158.0074 204.1791       131.2581 26.28913 10.11981 25.94683 9.373231 0.3422947 
13.79377 
1 1 1 -18 25  9  o 28.83558 6.536159  181.3566       104.9860 508.1357       
175.2970 -1.410054      131.0979 40.13213 10.34201 17.53903 7.995520 22.59309 
13.07232 
1 1 1 -17 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 1  o 13.18550 4.118833  -12.27366      43.49702 -19.48102      
55.20953 -0.4786121     70.62781 11.89702 5.333037 14.47397 6.278364 -2.576949 
8.237666 
1 1 1 -17 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 1  o 37.00951 3.440928  303.9296       51.39056 320.8906       
65.53316 276.8412       82.81873 38.58707 4.045204 35.43195 5.567428 3.155125 
6.881855 
1 1 1 -17 -28 2  o 45.29592 2.774171  422.2827       51.47453 350.7448       
64.76656 544.9618       84.81406 40.35616 3.822628 50.23567 4.021394 -9.879509 
5.548341 
1 1 1 -17 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 1  o 65.97791 2.569061  916.4635       69.68409 865.8441       
88.86838 997.2734       112.2849 63.74419 3.320685 68.21161 3.920887 -4.467415 
5.138123 
1 1 1 -17 -27 2  o 20.43625 4.616962  54.17294       50.17009 -14.13931      
62.17915 181.6139       84.92782 13.04576 5.766551 27.82674 7.211952 -14.78098 
9.233924 
1 1 1 -17 -27 3  o 52.32806 2.557799  590.2363       55.10852 603.6838       
71.78709 570.9399       85.99285 53.17377 3.215659 51.48234 3.978553 1.691429 
5.115598 
1 1 1 -17 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 1  f 14.00654 4.532832  -66.60076      57.27483 -101.9771      
70.92667 -0.2941630     97.10270 10.90527 5.250587 17.10781 7.390372 -6.202540 
9.065663 
1 1 1 -17 -26 2  o 25.94804 4.575307  163.6973       53.65364 218.1489       
67.86819 72.95239       87.61366 31.72344 5.095738 20.17264 7.600472 11.55079 
9.150614 
1 1 1 -17 -26 3  o 13.14378 4.215635  -60.47448      47.49643 -96.99886      
57.32500 19.50238       84.82714 9.388526 4.567204 16.89904 7.087098 -7.510516 
8.431270 
1 1 1 -17 -26 4  o 25.20789 4.638907  146.7064       48.71773 145.1480       
62.13969 149.1923       78.48122 25.13539 5.969383 25.28039 7.102416 
-0.1450024     9.277815 
1 1 1 -17 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 1  o 34.29789 4.859457  245.6892       67.89984 163.6878       
86.17264 379.9746       110.2740 26.81183 7.412263 41.78395 6.286149 -14.97213 
9.718915 
1 1 1 -17 -25 2  o 60.17518 3.229154  786.4080       80.20762 711.0013       
121.4153 844.7960       106.8391 57.44559 5.034286 62.90477 4.045456 -5.459179 
6.458309 
1 1 1 -17 -25 3  o 33.04456 4.876138  249.3517       66.98526 163.6157       
93.67810 339.0553       95.82117 26.66397 7.848150 39.42514 5.789077 -12.76116 
9.752275 
1 1 1 -17 -25 4  o 28.12664 4.524411  182.1255       59.79834 46.65134       
85.71996 310.5521       83.46054 18.46456 7.362516 37.78871 5.260660 -19.32415 
9.048822 
1 1 1 -17 -25 5  o 41.85943 4.447726  412.5752       67.63274 346.9769       
121.4053 442.0939       81.44037 38.42995 7.796359 45.28890 4.283207 -6.858944 
8.895452 
1 1 1 -17 -25 6  f 29.85452 4.468737  207.0453       54.14249 190.2085       
79.93528 221.3172       73.59513 28.52877 6.767285 31.18026 5.838004 -2.651485 
8.937473 
1 1 1 -17 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 1  f 56.29307 3.583963  686.0494       83.24433 729.6622       
110.3477 628.4509       126.8126 58.50924 4.492209 54.07690 5.585626 4.432343 
7.167925 
1 1 1 -17 -24 2  o 40.71630 3.568957  357.7852       60.57468 329.6611       
88.72240 382.3418       82.90431 39.14577 5.398455 42.28683 4.669744 -3.141056 
7.137915 
1 1 1 -17 -24 3  o 51.97671 3.618918  606.8120       75.33639 439.9280       
112.8731 740.8805       101.1688 45.01540 5.972421 58.93801 4.088576 -13.92260 
7.237835 
1 1 1 -17 -24 4  o 24.35238 5.210224  134.1417       61.78806 65.66866       
93.97416 186.2850       82.00640 20.19137 7.797750 28.51339 6.912366 -8.322023 
10.42045 
1 1 1 -17 -24 5  f 39.91303 3.812626  354.8124       61.42250 309.9191       
97.57771 384.2748       79.04852 37.55173 6.189302 42.27433 4.453876 -4.722595 
7.625252 
1 1 1 -17 -24 6  o 44.02262 3.546504  406.6590       62.92421 472.4221       
107.9734 372.8374       77.43244 46.46400 5.535048 41.58124 4.435541 4.882767 
7.093009 
1 1 1 -17 -24 7  o 46.23502 4.423364  496.7175       80.18378 572.5099       
106.0221 395.4337       122.5615 51.26040 4.926468 41.20966 7.348094 10.05074 
8.846727 
1 1 1 -17 -24 8  o 25.17035 5.142006  150.7388       57.15591 135.0198       
90.08534 161.3297       73.94493 24.12024 7.807642 26.22047 6.693402 -2.100227 
10.28401 
1 1 1 -17 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -23 1  o 32.71603 5.555541  245.5762       74.10712 259.9561       
94.32067 222.3797       119.7950 34.12649 6.824376 31.30558 8.768353 2.820904 
11.11108 
1 1 1 -17 -23 2  o 25.83902 4.961787  145.1667       56.86753 205.5632       
84.29854 94.72746       77.03681 30.23255 6.805731 21.44550 7.222142 8.787050 
9.923573 
1 1 1 -17 -23 3  o 27.82487 4.704401  176.5343       54.55744 143.8156       
79.63710 205.4709       74.89300 25.30668 7.169001 30.34307 6.093522 -5.036388 
9.408803 
1 1 1 -17 -23 4  o 48.44108 3.199569  502.6464       64.92530 532.0350       
90.90087 472.0410       92.76396 49.92503 4.336814 46.95713 4.705425 2.967899 
6.399139 
1 1 1 -17 -23 5  o 78.08981 2.948138  1282.007       93.85508 1388.645       
154.7137 1219.911       118.0599 80.47797 4.579022 75.70164 3.714651 4.776321 
5.896276 
1 1 1 -17 -23 6  o 33.41551 5.379458  244.2440       69.82346 305.7451       
125.3146 216.5542       84.08532 36.05476 8.422492 30.77626 6.694469 5.278496 
10.75892 
1 1 1 -17 -23 7  o 38.60339 4.218135  349.4731       62.78732 235.2614       
93.52905 443.1692       84.71340 31.84855 7.168067 45.35822 4.448537 -13.50967 
8.436271 
1 1 1 -17 -23 8  o 25.86490 5.057807  153.4258       60.46017 82.65739       
85.01616 225.8407       85.99950 20.51836 7.530586 31.21144 6.753958 -10.69308 
10.11561 
1 1 1 -17 -23 9  o 63.00512 3.255136  837.8802       80.66119 937.3184       
144.6752 793.0289       97.16402 65.29235 5.277800 60.71788 3.811623 4.574471 
6.510272 
1 1 1 -17 -23 10 o 33.59381 4.739051  264.3358       64.36571 264.6341       
94.22124 264.0747       88.13680 33.49283 6.934819 33.69480 6.460859 
-0.2019691     9.478102 
1 1 1 -17 -23 11 o 21.32714 5.089961  74.20843       60.71583 188.9503       
94.37146 -6.830161      79.30958 27.74905 7.785838 14.90522 6.558318 12.84383 
10.17992 
1 1 1 -17 -23 12 o 24.38315 4.804069  145.4080       59.17727 34.36503       
90.21950 229.2588       78.39861 17.56912 7.334984 31.19718 6.205990 -13.62805 
9.608137 
1 1 1 -17 -23 13 o 22.34759 5.221964  120.4727       60.35151 63.17415       
92.46868 162.9936       79.65697 19.02878 7.624436 25.66640 7.137480 -6.637615 
10.44393 
1 1 1 -17 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -22 1  o 72.42940 3.127864  1101.597       94.06283 1040.514       
122.8297 1188.217       146.2692 70.06876 4.175418 74.79004 4.658329 -4.721275 
6.255729 
1 1 1 -17 -22 2  f 49.66805 3.083931  511.7034       62.49238 573.9174       
103.4722 475.9796       78.40758 51.93836 4.745222 47.39775 3.940228 4.540607 
6.167862 
1 1 1 -17 -22 3  o 119.4878 2.586231  3032.863       128.7622 2941.894       
192.6818 3106.269       173.0849 117.7932 3.896205 121.1824 3.402050 -3.389198 
5.172462 
1 1 1 -17 -22 4  o 22.59498 4.251456  74.55357       52.36876 232.9178       
81.05013 -38.94344      68.61475 32.35716 6.187269 12.83280 5.832429 19.52436 
8.502913 
1 1 1 -17 -22 5  o 70.58875 2.698120  1093.365       74.96278 951.7923       
126.0125 1170.907       93.25910 66.77048 4.495214 74.40701 2.985372 -7.636528 
5.396239 
1 1 1 -17 -22 6  o 47.74399 3.841589  501.6176       75.29823 430.7641       
113.5955 557.1498       100.5665 44.51119 6.078733 50.97678 4.698961 -6.465588 
7.683178 
1 1 1 -17 -22 7  o 53.12959 3.694229  591.2303       77.72858 669.5455       
137.9379 554.7917       94.08952 55.39853 5.930706 50.86064 4.406365 4.537888 
7.388459 
1 1 1 -17 -22 8  o 41.76807 3.812062  378.8433       66.13992 386.5599       
101.5149 373.1516       87.18408 42.03304 5.752546 41.50309 5.003546 0.5299568 
7.624124 
1 1 1 -17 -22 9  o 35.05581 4.653961  283.5962       66.20242 220.7376       
95.41006 341.9597       91.93531 30.62852 7.475129 39.48309 5.546158 -8.854572 
9.307922 
1 1 1 -17 -22 10 o 30.00553 5.082727  218.5300       67.08146 127.8764       
101.2615 289.4262       89.54951 23.91192 8.271907 36.09914 5.908638 -12.18723 
10.16545 
1 1 1 -17 -22 11 o 31.27333 4.926834  243.4316       66.85066 121.4758       
100.1501 341.4388       89.77995 23.29916 8.210178 39.24750 5.448644 -15.94834 
9.853667 
1 1 1 -17 -22 12 o 29.06456 5.432133  212.9300       69.12543 150.5416       
105.9775 259.1281       91.19562 25.06567 8.470786 33.06344 6.802797 -7.997768 
10.86427 
1 1 1 -17 -22 13 o 16.75553 5.135449  10.72468       66.40191 -1.628738      
101.6508 19.91982       87.69927 16.80695 7.408279 16.70411 7.113983 0.1028366 
10.27090 
1 1 1 -17 -22 14 o 22.03762 5.613885  112.7274       65.92276 115.0973       
101.5917 111.0038       86.64078 22.33249 8.228566 21.74275 7.638947 0.5897408 
11.22777 
1 1 1 -17 -22 15 o 22.27390 5.583578  115.3536       65.80846 166.2057       
101.6340 78.64098       86.35583 25.17843 8.295382 19.36937 7.476094 5.809065 
11.16716 
1 1 1 -17 -22 16 o 17.00472 5.080995  40.31233       62.17753 28.31431       
95.55138 49.12401       81.88638 16.87752 7.311503 17.13192 7.057474 
-0.2543983     10.16199 
1 1 1 -17 -21 1  f 61.35777 3.522574  806.4869       89.92064 886.0560       
123.6466 717.1636       131.0063 64.65619 4.555049 58.05935 5.374537 6.596840 
7.045148 
1 1 1 -17 -21 2  o 42.05022 3.952385  401.9893       64.04546 280.5194       
96.29766 498.3358       85.76286 35.59933 6.689250 48.50112 4.211808 -12.90179 
7.904770 
1 1 1 -17 -21 3  o 35.12125 4.261101  265.1120       61.25811 302.9504       
92.25836 235.2762       81.92365 37.62725 5.840153 32.61524 6.206491 5.012012 
8.522202 
1 1 1 -17 -21 4  o 65.93837 2.591424  918.7846       70.79453 930.2346       
109.6410 910.5976       92.71196 66.24682 3.942114 65.62992 3.364766 0.6168976 
5.182848 
1 1 1 -17 -21 5  o 28.27748 4.721205  183.4384       55.28263 148.0915       
83.87571 210.5877       73.50888 25.73562 7.378830 30.81934 5.891688 -5.083725 
9.442410 
1 1 1 -17 -21 6  o 33.15964 4.065892  238.8375       54.69233 300.7010       
81.06592 187.1539       74.09637 37.45037 5.155885 28.86891 6.288303 8.581457 
8.131784 
1 1 1 -17 -21 7  o 28.99485 4.888147  188.9192       59.10909 146.3100       
80.35773 239.1545       87.25311 25.42589 7.200911 32.56380 6.612324 -7.137907 
9.776295 
1 1 1 -17 -21 8  o 27.09168 5.464088  170.0430       65.79288 140.5591       
98.10809 194.1396       88.69302 25.14415 8.148769 29.03922 7.281662 -3.895063 
10.92818 
1 1 1 -17 -21 9  f 29.60299 5.386992  207.5324       68.75974 150.5289       
100.8952 256.9655       93.95699 25.74317 8.255825 33.46282 6.922433 -7.719656 
10.77398 
1 1 1 -17 -21 10 o 45.59657 4.086936  464.1654       76.74352 375.2633       
110.7093 546.4012       106.4778 41.08563 6.418229 50.10751 5.061476 -9.021881 
8.173873 
1 1 1 -17 -21 11 o 28.15225 5.226456  195.4748       68.42958 84.97017       
104.2345 279.1743       90.71580 21.46178 8.230320 34.84273 6.444005 -13.38095 
10.45291 
1 1 1 -17 -21 12 o 35.82077 4.918754  309.7366       70.40138 240.7259       
108.9420 359.2217       92.25176 31.37732 8.185026 40.26423 5.457281 -8.886917 
9.837508 
1 1 1 -17 -21 13 o 26.40888 5.525435  160.8473       62.11870 201.2124       
110.7758 142.3323       75.02459 28.39920 8.574449 24.41856 6.971412 3.980633 
11.05087 
1 1 1 -17 -21 14 o 30.65085 5.598868  203.8514       68.57573 337.8717       
127.5648 149.3795       81.32645 36.53077 8.474482 24.77094 7.319322 11.75983 
11.19774 
1 1 1 -17 -21 15 o 36.47913 5.021194  340.0547       72.21126 247.5624       
114.5557 401.0392       93.01938 30.80487 8.557054 42.15340 5.256079 -11.34853 
10.04239 
1 1 1 -17 -21 16 o 35.70527 5.329235  317.5225       75.31617 352.3805       
124.0807 297.1869       94.77225 36.63136 8.264333 34.77918 6.730808 1.852180 
10.65847 
1 1 1 -17 -21 17 o 15.06996 4.807637  -45.55530      70.97688 -169.7211      
106.5331 53.55027       95.17709 12.15861 5.989195 17.98131 7.522170 -5.822701 
9.615274 
1 1 1 -17 -20 1  o 129.7346 3.127981  3562.657       169.2531 3583.761       
227.1312 3536.307       253.8037 130.2247 4.154363 129.2444 4.677428 0.9802551 
6.255963 
1 1 1 -17 -20 2  o 23.05539 5.278553  110.2853       57.26163 115.6947       
92.03427 106.8687       73.14263 23.72180 7.893901 22.38898 7.009907 1.332817 
10.55711 
1 1 1 -17 -20 3  o 15.76625 4.573209  -47.07934      59.07182 -175.9623      
83.84531 79.94432       83.23832 10.71631 5.278211 20.81620 7.469770 -10.09990 
9.146419 
1 1 1 -17 -20 4  o 28.63141 4.925677  180.8838       59.19858 232.7150       
87.41586 136.9780       80.45546 32.33899 6.666332 24.92383 7.253220 7.415157 
9.851355 
1 1 1 -17 -20 5  o 64.03818 2.661061  866.1607       70.48518 880.1091       
109.8872 856.4100       91.87571 64.43031 4.062355 63.64605 3.438352 0.7842636 
5.322123 
1 1 1 -17 -20 6  o 44.79122 3.320721  417.3171       60.91035 570.6357       
93.58513 304.6366       80.22945 51.81396 4.302106 37.76848 5.059707 14.04548 
6.641442 
1 1 1 -17 -20 7  o 107.3029 2.996723  2454.506       134.7704 2349.463       
193.3992 2553.668       187.9076 105.0151 4.386560 109.5908 4.084052 -4.575729 
5.993445 
1 1 1 -17 -20 8  o 64.27879 2.722720  883.7856       71.20217 858.5094       
115.0245 899.4879       90.65986 63.41988 4.320021 65.13772 3.315153 -1.717842 
5.445440 
1 1 1 -17 -20 9  o 50.04678 3.441869  543.0049       70.95777 515.4499       
109.9071 562.6995       92.91774 48.81961 5.362317 51.27394 4.316413 -2.454330 
6.883739 
1 1 1 -17 -20 10 o 22.76992 5.435632  111.2991       64.87883 50.11846       
102.1769 152.6298       83.98117 19.78950 7.979145 25.75034 7.383604 -5.960842 
10.87126 
1 1 1 -17 -20 11 o 42.84330 4.061624  379.8298       70.32171 494.8119       
121.2969 321.6178       86.30597 47.31693 6.105966 38.36968 5.357642 8.947247 
8.123247 
1 1 1 -17 -20 12 o 51.25482 4.016575  623.9460       77.70209 459.4420       
131.8671 711.4435       96.17140 45.03230 6.974827 57.47734 3.985386 -12.44504 
8.033151 
1 1 1 -17 -20 13 o 36.97536 4.707762  312.1867       71.37112 350.6055       
105.9595 280.2804       96.56183 39.39120 6.407104 34.55953 6.899356 4.831669 
9.415524 
1 1 1 -17 -20 14 o 21.55666 5.742575  84.01340       71.14602 146.0316       
112.5342 42.71989       91.82602 24.86826 8.708871 18.24506 7.487605 6.623199 
11.48515 
1 1 1 -17 -20 15 o 17.05095 5.406762  -20.14780      77.58716 11.58596       
126.9066 -39.08877      98.04485 18.93026 8.312870 15.17164 6.915814 3.758628 
10.81352 
1 1 1 -17 -20 16 o 27.35194 5.965388  195.6560       77.65620 143.7876       
116.1541 237.5779       104.4248 24.23480 8.811265 30.46908 8.043944 -6.234278 
11.93078 
1 1 1 -17 -20 17 o 27.41894 5.652282  205.6290       79.51387 70.54722       
123.3807 301.5857       103.9888 20.37391 8.545930 34.46396 7.400016 -14.09005 
11.30456 
1 1 1 -17 -20 18 o 31.36082 6.035859  280.9802       81.25816 262.1426       
129.5724 293.1912       104.3218 29.55473 9.343501 33.16692 7.643647 -3.612194 
12.07172 
1 1 1 -17 -19 1  o 94.03761 4.678555  1886.569       184.1839 1945.891       
253.6866 1820.442       267.8400 95.66250 6.316504 92.41272 6.903426 3.249779 
9.357110 
1 1 1 -17 -19 2  o 99.17891 3.113013  2044.429       127.2996 1906.591       
163.0127 2259.871       203.7989 95.01450 4.086509 103.3433 4.697216 -8.328819 
6.226026 
1 1 1 -17 -19 3  o 127.6132 2.828872  3434.848       151.2454 3135.453       
209.5215 3760.604       218.5507 121.7967 4.097456 133.4298 3.901399 -11.63313 
5.657743 
1 1 1 -17 -19 4  o 30.16636 4.822633  207.9409       61.49498 132.4582       
92.70361 267.2568       82.17860 24.90242 7.906285 35.43029 5.524654 -10.52787 
9.645266 
1 1 1 -17 -19 5  o 76.87605 2.758956  1265.610       85.97475 1189.683       
138.9129 1312.751       109.4577 74.89850 4.417641 78.85361 3.306328 -3.955116 
5.517912 
1 1 1 -17 -19 6  o 31.54750 4.515688  206.7251       58.15932 295.3001       
93.50025 150.8263       74.27766 37.11745 6.000061 25.97754 6.750188 11.13991 
9.031377 
1 1 1 -17 -19 7  o 30.13090 4.525182  191.5387       56.96757 291.7540       
88.21987 119.8620       74.60855 36.88804 5.696419 23.37377 7.032773 13.51427 
9.050364 
1 1 1 -17 -19 8  o 84.24149 2.751545  1529.324       91.53896 1437.906       
156.4621 1576.900       112.8726 82.12704 4.537787 86.35593 3.113274 -4.228897 
5.503089 
1 1 1 -17 -19 9  o 56.39687 2.853871  677.7021       67.52866 655.9168       
96.05059 698.9949       94.95866 55.48254 4.123489 57.31120 3.946537 -1.828659 
5.707742 
1 1 1 -17 -19 10 o 40.16367 3.599372  347.2946       60.49314 353.2149       
89.55006 342.3255       82.04253 40.43927 5.274528 39.88808 4.899108 0.5511932 
7.198743 
1 1 1 -17 -19 11 f 40.47092 4.599305  368.2447       75.19019 349.8946       
114.1951 382.2888       99.90240 39.08138 7.231928 41.86047 5.684508 -2.779095 
9.198609 
1 1 1 -17 -19 12 o 21.78507 5.759574  90.18793       69.74426 92.64265       
112.2252 88.64328       89.02306 22.42454 8.557222 21.14561 7.711337 1.278936 
11.51915 
1 1 1 -17 -19 13 o 48.80513 4.131297  513.9122       83.03793 678.2024       
128.3552 395.6599       108.8962 55.48053 5.510539 42.12974 6.156657 13.35079 
8.262594 
1 1 1 -17 -19 14 o 67.85995 3.579204  1016.419       100.0926 993.5147       
155.9643 1032.458       130.5156 66.89111 5.553643 68.82879 4.516619 -1.937675 
7.158407 
1 1 1 -17 -19 15 o 61.67316 3.692519  857.2213       93.90247 748.5198       
140.1252 945.8281       126.5120 57.68447 5.785998 65.66186 4.589229 -7.977383 
7.385038 
1 1 1 -17 -19 16 o 33.00956 5.740681  288.8683       84.78851 165.7126       
133.6198 371.8842       109.7044 25.95377 9.449130 40.06535 6.521932 -14.11158 
11.48136 
1 1 1 -17 -19 17 o 19.92507 5.998123  46.57649       89.64604 87.29962       
112.3525 -24.77534      148.7184 21.09218 8.423131 18.75795 8.541707 2.334227 
11.99625 
1 1 1 -17 -19 18 o 54.24608 5.129236  706.5728       114.3547 626.1454       
144.9236 839.2719       186.1533 50.77823 6.798020 57.71392 7.682652 -6.935688 
10.25847 
1 1 1 -17 -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -18 1  o 77.24881 4.716802  1286.418       147.7110 1343.319       
188.5315 1195.966       237.7014 79.63142 5.639238 74.86619 7.562531 4.765236 
9.433603 
1 1 1 -17 -18 2  o 125.4949 5.316788  3361.984       279.9680 3410.466       
403.8842 3317.139       388.4365 126.3379 7.614552 124.6519 7.422366 1.686005 
10.63358 
1 1 1 -17 -18 3  o 80.27308 3.243190  1326.994       106.6115 1213.315       
134.3387 1520.393       175.2221 75.79412 4.221693 84.75204 4.924473 -8.957916 
6.486380 
1 1 1 -17 -18 4  o 35.66599 4.856830  283.3781       70.39402 171.8823       
98.35949 400.4507       100.7893 27.91405 7.986396 43.41792 5.529255 -15.50386 
9.713659 
1 1 1 -17 -18 5  o 101.2030 2.820063  2126.309       109.9776 2263.768       
203.1234 2069.301       130.8098 103.3397 4.681809 99.06635 3.145105 4.273361 
5.640126 
1 1 1 -17 -18 6  o 103.5558 2.561953  2288.711       108.7317 2155.752       
170.8265 2379.265       140.9769 100.9201 4.031794 106.1915 3.162127 -5.271347 
5.123906 
1 1 1 -17 -18 7  o 27.17087 5.132505  168.4175       59.56303 138.6392       
94.42897 188.0943       76.75953 25.30687 7.973150 29.03486 6.465238 -3.727993 
10.26501 
1 1 1 -17 -18 8  o 45.16431 3.386838  427.5199       63.29936 475.4792       
100.1080 395.5714       81.70664 47.20316 5.051483 43.12547 4.512784 4.077690 
6.773677 
1 1 1 -17 -18 9  o 79.89510 2.558326  1367.139       84.65606 1249.239       
127.2370 1460.788       113.3980 76.69755 3.951417 83.09264 3.250604 -6.395096 
5.116652 
1 1 1 -17 -18 10 o 37.55617 4.128939  308.6734       62.85999 372.7015       
91.28425 250.9299       86.68859 41.63991 5.221642 33.47243 6.397420 8.167484 
8.257877 
1 1 1 -17 -18 11 o 51.86336 2.955319  552.8384       62.58514 670.8270       
104.3365 486.5251       78.21964 55.96010 4.440979 47.76662 3.900429 8.193485 
5.910638 
1 1 1 -17 -18 12 o 43.27375 4.628863  423.0220       80.93133 376.9756       
119.9345 461.5187       109.6624 40.55494 7.311058 45.99256 5.679255 -5.437622 
9.257727 
1 1 1 -17 -18 13 o 71.68489 4.236135  1068.907       118.3984 1315.088       
219.6678 968.1064       140.5634 76.64591 6.826506 66.72387 5.017787 9.922043 
8.472271 
1 1 1 -17 -18 14 o 31.01588 6.252442  248.6707       91.31477 126.0404       
150.9104 319.5054       114.6947 25.32738 9.860765 36.70438 7.690088 -11.37700 
12.50488 
1 1 1 -17 -18 15 o 14.41528 5.007976  -268.6491      105.0672 -185.7681      
149.7858 -348.9300      147.4174 15.71419 7.581682 13.11638 6.545027 2.597814 
10.01595 
1 1 1 -17 -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -18 17 o 25.04009 8.994438  152.6840       120.7125 0.000000       
0.000000 152.6840       120.7125 ?        ?        25.04009 8.994438 ? ? 
1 1 1 -17 -18 18 o 18.78145 5.600303  4.791143       83.54079 123.5212       
118.6229 -112.0427      117.6719 23.04948 8.797157 14.51343 6.932791 8.536050 
11.20061 
1 1 1 -17 -18 19 o 29.98310 6.608353  259.4778       93.19041 295.9941       
130.9292 221.9838       132.6703 32.23476 9.211634 27.73145 9.477716 4.503311 
13.21671 
1 1 1 -17 -18 20 o 23.13346 6.385253  136.9100       93.38036 218.7141       
135.8181 63.57307       128.5972 26.67686 9.544771 19.59005 8.484289 7.086815 
12.77051 
1 1 1 -17 -17 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -17 2  o 45.10390 7.303637  448.8956       134.7185 390.7544       
177.8377 527.1913       206.3722 41.72245 10.21963 48.48536 10.43703 -6.762905 
14.60727 
1 1 1 -17 -17 3  o 107.7275 4.107770  2443.970       181.0106 2534.123       
293.1554 2388.421       230.1161 109.2087 6.393842 106.2463 5.158866 2.962395 
8.215541 
1 1 1 -17 -17 4  o 63.59024 4.244040  861.5327       109.7316 848.2792       
178.2062 869.6266       139.2645 63.09942 6.726955 64.08107 5.176446 
-0.9816513     8.488081 
1 1 1 -17 -17 5  o 24.36044 6.313289  37.82143       91.75611 224.7799       
152.6694 -67.89848      114.8042 32.17517 10.13821 16.54571 7.526426 15.62946 
12.62658 
1 1 1 -17 -17 6  o 41.24567 5.494477  380.9048       91.63185 319.0345       
137.4336 430.4194       122.9472 37.62513 8.840478 44.86620 6.527102 -7.241066 
10.98895 
1 1 1 -17 -17 7  o 86.45379 3.861223  1503.598       123.8015 1786.110       
249.2738 1411.097       142.6364 91.27431 6.505026 81.63326 4.161828 9.641052 
7.722446 
1 1 1 -17 -17 8  o 72.31396 3.926659  1077.484       108.7115 1214.165       
205.3989 1024.297       128.1290 75.15394 6.509798 69.47400 4.392849 5.679939 
7.853317 
1 1 1 -17 -17 9  o 63.32324 3.676171  823.7662       95.60831 1023.630       
156.3212 704.3221       120.8464 69.18623 5.381697 57.46025 5.009418 11.72599 
7.352341 
1 1 1 -17 -17 10 o 105.9816 4.078710  2395.114       165.4257 2468.693       
306.1352 2364.768       196.6010 106.5994 6.840369 105.3639 4.444419 1.235535 
8.157420 
1 1 1 -17 -17 11 o 33.72161 5.676787  247.0913       81.26431 389.3701       
126.8207 147.9740       105.8510 41.46608 7.565388 25.97714 8.465729 15.48894 
11.35357 
1 1 1 -17 -17 12 o 86.67542 3.823571  1598.596       137.5671 1804.169       
215.0943 1456.303       178.9523 91.21079 5.616992 82.14003 5.189237 9.070763 
7.647141 
1 1 1 -17 -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -17 14 o 19.02190 8.752263  -82.63641      161.6591 0.000000       
0.000000 -82.63641      161.6591 ?        ?        19.02190 8.752263 ? ? 
1 1 1 -17 -17 15 o 63.11081 4.815630  831.2800       120.7635 1134.447       
218.1266 697.2814       145.0165 70.35638 7.384587 55.86523 6.182966 14.49115 
9.631261 
1 1 1 -17 -17 16 o 28.70588 6.768533  205.2542       94.69756 190.1976       
155.0257 214.2167       119.6060 28.07903 10.18231 29.33273 8.920351 -1.253702 
13.53707 
1 1 1 -17 -17 17 o 36.84470 6.292566  373.7463       103.6990 195.3677       
168.3404 482.8273       131.6411 28.06502 10.54296 45.62438 6.872516 -17.55936 
12.58513 
1 1 1 -17 -17 18 o 26.94287 6.320066  171.9021       99.71192 -6.309297      
151.1532 309.2043       132.6748 19.58768 8.801257 34.29805 9.072531 -14.71036 
12.64013 
1 1 1 -17 -17 19 o 39.42330 5.755078  399.9678       93.23994 350.9160       
137.8853 441.2948       126.5634 36.04821 9.103286 42.79840 7.043711 -6.750187 
11.51016 
1 1 1 -17 -17 20 o 24.68593 6.267675  163.1835       90.51612 61.12889       
135.5061 245.4109       121.6329 20.11142 8.709644 29.26045 9.015382 -9.149029 
12.53535 
1 1 1 -17 -17 21 o 26.67909 5.910681  213.0531       89.10622 41.73030       
144.8644 317.3235       113.0146 19.38986 8.666587 33.96833 8.039581 -14.57847 
11.82136 
1 1 1 -17 -16 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -16 4  f 109.7294 6.631635  2560.028       305.5081 2560.028       
305.5081 0.000000       0.000000 109.7294 6.631635 ?        ?        ? ? 
1 1 1 -17 -16 5  o 89.96369 5.200614  1758.539       192.7771 2043.493       
265.1119 1438.813       280.8220 98.01200 6.442746 81.91538 8.165573 16.09662 
10.40123 
1 1 1 -17 -16 6  o 44.78616 6.412242  439.4519       118.5479 286.6440       
160.8618 621.0911       175.3819 35.77893 10.20599 53.79338 7.765634 -18.01445 
12.82448 
1 1 1 -17 -16 7  o 36.53313 6.493728  304.2874       104.3303 427.1812       
145.3646 173.7319       149.8273 43.81917 8.205163 29.24710 10.06724 14.57207 
12.98746 
1 1 1 -17 -16 8  f 80.00143 5.883493  1366.843       197.6114 1366.843       
197.6114 0.000000       0.000000 80.00143 5.883493 ?        ?        ? ? 
1 1 1 -17 -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -16 11 o 37.60733 9.176548  327.4986       143.8074 0.000000       
0.000000 327.4986       143.8074 ?        ?        37.60733 9.176548 ? ? 
1 1 1 -17 -16 12 o 16.81268 5.274942  -33.41535      72.74404 3.531573       
116.9187 -56.75092      92.91886 18.95128 8.146871 14.67408 6.702876 4.277198 
10.54988 
1 1 1 -17 -16 13 o 58.39122 3.711036  727.8010       87.77552 771.4206       
146.2669 703.2515       109.7302 59.53809 5.851568 57.24435 4.565777 2.293739 
7.422073 
1 1 1 -17 -16 14 o 19.47819 5.843239  19.93038       83.35156 -2.027495      
117.9842 41.80854       117.7699 18.58537 8.088991 20.37101 8.434570 -1.785639 
11.68648 
1 1 1 -17 -16 15 o 33.47502 6.405195  248.4512       97.84190 433.0389       
154.2442 124.1696       126.5642 42.33855 8.953283 24.61150 9.162140 17.72705 
12.81039 
1 1 1 -17 -16 16 o 23.96420 6.488924  114.3665       92.68494 60.75587       
150.1908 147.3406       117.7889 22.52262 9.437172 25.40578 8.908664 -2.883162 
12.97785 
1 1 1 -17 -16 17 o 71.05675 4.426022  1053.344       124.3318 1426.686       
227.0916 893.5281       148.5786 78.81698 6.862815 63.29652 5.591103 15.52046 
8.852043 
1 1 1 -17 -16 18 o 35.17702 6.606846  323.3553       97.29503 315.8825       
161.3582 327.6244       121.9603 34.09702 10.35934 36.25702 8.202790 -2.159992 
13.21369 
1 1 1 -17 -16 19 o 32.72369 6.389019  224.6319       92.82825 499.0173       
168.9583 105.9956       111.0984 43.32151 9.546651 22.12587 8.493509 21.19564 
12.77804 
1 1 1 -17 -16 20 o 19.61439 5.651325  49.28914       81.37193 -66.92814      
125.7005 133.1220       106.7600 16.05047 7.511610 23.17830 8.445449 -7.127831 
11.30265 
1 1 1 -17 -16 21 o 16.27913 5.314584  -48.93694      85.28168 33.76180       
128.8681 -113.3748      113.7540 18.74727 8.292308 13.81100 6.649576 4.936267 
10.62917 
1 1 1 -17 -15 1  o 96.81279 5.044909  1941.481       199.3669 1782.047       
249.9305 2220.424       330.5873 91.60823 6.498391 102.0174 7.718505 -10.40913 
10.08982 
1 1 1 -17 -15 2  o 142.6511 5.609924  4284.025       325.6556 4108.900       
409.0676 4587.075       538.1183 138.9873 7.010372 146.3150 8.760118 -7.327713 
11.21985 
1 1 1 -17 -15 3  o 84.46038 4.957848  1507.389       175.8026 0.000000       
0.000000 1507.389       175.8026 ?        ?        84.46038 4.957848 ? ? 
1 1 1 -17 -15 4  o 73.49639 6.104690  1145.542       188.3686 0.000000       
0.000000 1145.542       188.3686 ?        ?        73.49639 6.104690 ? ? 
1 1 1 -17 -15 5  o 86.59380 6.030448  1590.649       219.2377 0.000000       
0.000000 1590.649       219.2377 ?        ?        86.59380 6.030448 ? ? 
1 1 1 -17 -15 6  o 76.92286 5.829968  1255.551       188.2784 0.000000       
0.000000 1255.551       188.2784 ?        ?        76.92286 5.829968 ? ? 
1 1 1 -17 -15 7  o 116.9290 6.904808  2920.751       338.9633 0.000000       
0.000000 2920.751       338.9633 ?        ?        116.9290 6.904808 ? ? 
1 1 1 -17 -15 8  o 92.82806 4.716074  1826.273       183.7972 0.000000       
0.000000 1826.273       183.7972 ?        ?        92.82806 4.716074 ? ? 
1 1 1 -17 -15 9  o 129.9530 4.196695  3672.170       202.7331 3465.992       
384.8078 3751.384       238.5200 126.8353 7.226447 133.0708 4.269363 -6.235497 
8.393390 
1 1 1 -17 -15 10 o 82.79369 3.659219  1474.001       114.9563 1430.021       
212.7666 1492.132       136.6126 81.63860 6.207674 83.94877 3.876122 -2.310165 
7.318438 
1 1 1 -17 -15 11 o 59.13469 4.366510  793.7429       89.99492 675.8990       
182.0905 831.8319       103.5221 55.63916 7.795211 62.63021 3.937046 -6.991051 
8.733020 
1 1 1 -17 -15 12 o 70.06619 3.436357  1070.345       96.07218 976.9491       
159.2478 1123.787       120.4631 67.40074 5.627685 72.73165 3.945042 -5.330910 
6.872714 
1 1 1 -17 -15 13 o 78.32471 3.576333  1310.943       105.5787 1334.865       
199.7862 1301.674       124.3625 78.42028 6.068177 78.22913 3.786536 0.1911545 
7.152665 
1 1 1 -17 -15 14 o 76.85280 3.397443  1252.735       107.5296 1366.819       
172.3749 1180.058       137.5809 79.52641 5.162782 74.17919 4.417709 5.347214 
6.794885 
1 1 1 -17 -15 15 o 75.40629 3.500807  1198.006       104.6544 1335.681       
184.7171 1132.920       127.0052 78.16662 5.628684 72.64596 4.164196 5.520660 
7.001614 
1 1 1 -17 -15 16 o 43.26939 6.007346  440.4515       102.8678 481.0632       
166.5901 415.4236       130.7788 44.43220 9.237230 42.10658 7.682863 2.325619 
12.01469 
1 1 1 -17 -15 17 o 63.26870 4.076961  857.2672       97.89403 970.6069       
187.0328 814.5017       114.8878 65.33276 6.818799 61.20464 4.471062 4.128117 
8.153921 
1 1 1 -17 -15 18 o 74.33649 4.387024  1215.556       124.9617 1345.769       
233.2578 1163.142       147.9899 75.98061 7.312306 72.69237 4.849134 3.288246 
8.774049 
1 1 1 -17 -15 19 o 26.93070 6.999407  145.3168       96.76721 294.2184       
182.3462 86.94440       114.1697 32.39988 11.11063 21.46152 8.515906 10.93837 
13.99881 
1 1 1 -17 -15 20 o 39.99053 6.330622  461.7337       100.8562 302.0904       
184.5066 529.7621       120.4431 32.03996 11.15788 47.94110 5.984048 -15.90114 
12.66124 
1 1 1 -17 -15 21 o 18.99830 5.855361  34.54161       86.61531 49.94754       
133.9196 23.46265       113.5664 19.97204 8.654023 18.02456 7.889795 1.947475 
11.71072 
1 1 1 -17 -15 22 o 47.08240 5.284981  555.1606       100.4436 714.3264       
160.0457 451.7315       129.0151 52.89758 7.206583 41.26722 7.732353 11.63036 
10.56996 
1 1 1 -17 -14 1  o 36.09748 7.534255  281.3435       119.8158 257.7800       
153.5886 317.9786       191.5081 34.24697 10.03924 37.94800 11.23715 -3.701031 
15.06851 
1 1 1 -17 -14 2  o 124.8633 5.729022  3314.826       299.3039 3134.244       
403.4769 3535.792       446.3170 121.1472 7.932799 128.5794 8.267858 -7.432259 
11.45804 
1 1 1 -17 -14 3  o 64.39597 4.467223  803.1118       115.3729 1203.863       
201.1560 606.6546       140.8411 75.31774 6.361458 53.47418 6.273449 21.84356 
8.934445 
1 1 1 -17 -14 4  o 60.03033 4.284693  797.1421       100.9047 661.0856       
168.0966 873.7848       126.1638 55.73202 7.184147 64.32865 4.671445 -8.596630 
8.569386 
1 1 1 -17 -14 5  o 151.3230 4.623079  4850.261       273.9720 4899.243       
484.9946 4827.305       332.0223 151.5679 7.621682 151.0782 5.234636 0.4896545 
9.246159 
1 1 1 -17 -14 6  o 35.44390 6.378893  288.0694       94.42304 230.3053       
153.9151 322.9281       119.5661 32.65227 10.15786 38.23552 7.718747 -5.583252 
12.75779 
1 1 1 -17 -14 7  o 52.93713 5.069399  582.2632       109.8242 667.1039       
180.8094 532.6627       138.2492 55.84557 7.711757 50.02871 6.582099 5.816860 
10.13880 
1 1 1 -17 -14 8  o 115.0130 4.381213  2767.726       164.5838 2895.760       
384.7039 2739.043       182.0891 116.1059 7.892111 113.9201 3.807189 2.185806 
8.762426 
1 1 1 -17 -14 9  o 94.14164 4.065829  1858.625       141.0232 1948.191       
278.9558 1827.876       163.4477 95.32587 6.970208 92.95741 4.188087 2.368454 
8.131659 
1 1 1 -17 -14 10 o 129.4229 4.316727  3624.623       215.5139 3475.328       
386.3958 3692.040       259.6535 126.9681 7.248678 131.8776 4.689690 -4.909515 
8.633453 
1 1 1 -17 -14 11 o 97.19455 3.922660  2024.268       138.2858 2007.492       
276.0456 2029.888       159.7803 96.48633 6.814533 97.90278 3.887312 -1.416451 
7.845320 
1 1 1 -17 -14 12 o 69.79152 3.578836  996.5001       98.37021 1167.052       
177.7990 921.2634       118.0909 73.74216 5.742943 65.84087 4.272104 7.901299 
7.157672 
1 1 1 -17 -14 13 o 77.27966 3.448755  1292.605       104.8786 1232.553       
181.0347 1322.942       128.6705 75.64825 5.700120 78.91106 3.883847 -3.262810 
6.897509 
1 1 1 -17 -14 14 o 20.88237 5.843618  61.78750       75.81612 50.08402       
116.5234 70.37954       99.83993 20.87955 8.479213 20.88519 8.043285 
-0.5632401E-02 11.68724 
1 1 1 -17 -14 15 o 80.09187 3.565718  1387.946       113.0446 1380.045       
194.8624 1391.954       138.7855 79.53198 5.835891 80.65175 4.098749 -1.119766 
7.131435 
1 1 1 -17 -14 16 o 42.78493 4.851916  386.6082       83.98705 497.3130       
144.3011 329.8942       103.2835 46.98487 7.315307 38.58499 6.375787 8.399887 
9.703833 
1 1 1 -17 -14 17 o 42.58050 6.061558  463.2939       98.76925 343.7401       
171.7144 522.4052       120.7424 36.62403 10.57644 48.53696 5.925270 -11.91293 
12.12312 
1 1 1 -17 -14 18 o 30.10435 6.944293  228.0866       98.41231 208.9395       
173.2057 237.2148       119.5916 29.30089 10.74928 30.90782 8.794650 -1.606932 
13.88859 
1 1 1 -17 -14 19 o 28.16229 6.909554  195.2573       94.48099 203.3965       
175.0556 191.9118       112.2309 28.60056 10.74980 27.72402 8.683863 0.8765469 
13.81911 
1 1 1 -17 -14 20 o 25.94699 6.956803  160.6493       99.59534 160.4197       
182.0085 160.7473       118.9907 26.42449 10.65147 25.46949 8.951797 0.9549999 
13.91361 
1 1 1 -17 -14 21 o 24.18417 6.786651  74.35119       101.0819 287.9509       
183.6303 -18.50963      121.0766 31.10710 11.10151 17.26124 7.809678 13.84586 
13.57330 
1 1 1 -17 -14 22 o 27.86040 6.540602  224.0684       89.66642 208.3164       
131.5947 237.7199       122.5073 26.86808 9.416773 28.85273 9.079774 -1.984652 
13.08120 
1 1 1 -17 -14 23 o 27.12999 6.466150  212.2393       103.1247 43.41747       
150.4574 361.8196       141.6238 19.64137 8.804242 34.61861 9.472577 -14.97725 
12.93230 
1 1 1 -17 -13 1  o 72.35472 5.193394  1124.871       153.3005 1161.933       
196.9045 1067.832       244.2726 74.01085 6.336965 70.69860 8.229718 3.312248 
10.38679 
1 1 1 -17 -13 2  o 167.7466 7.935014  6098.142       557.6868 5949.820       
761.1042 6270.101       819.5068 165.6846 10.94165 169.8086 11.49513 -4.123993 
15.87003 
1 1 1 -17 -13 3  o 84.66432 4.152129  1522.917       138.4173 1507.457       
241.3436 1530.495       168.9693 84.20327 6.826968 85.12537 4.727919 
-0.9220963     8.304258 
1 1 1 -17 -13 4  o 143.5507 5.125911  4334.117       262.7787 4489.821       
542.8956 4286.477       300.3012 144.6898 8.937162 142.4117 5.022645 2.278091 
10.25182 
1 1 1 -17 -13 5  o 91.37249 4.234036  1769.843       150.8630 1768.577       
268.5319 1770.427       182.3628 91.18587 7.014382 91.55911 4.744121 
-0.3732452     8.468072 
1 1 1 -17 -13 6  o 108.1411 4.316617  2537.964       186.8937 2272.342       
306.0395 2695.938       236.0146 103.3394 7.053957 112.9428 4.977389 -9.603401 
8.633233 
1 1 1 -17 -13 7  o 152.9636 5.660752  4689.959       276.1631 5503.380       
683.1453 4531.063       301.9339 159.5217 10.20034 146.4056 4.912190 13.11606 
11.32150 
1 1 1 -17 -13 8  o 47.99023 4.744430  456.0370       87.85088 579.7208       
167.4891 409.0947       103.1840 52.05754 7.663442 43.92292 5.595545 8.134617 
9.488860 
1 1 1 -17 -13 9  o 151.8577 5.466604  5001.985       289.1148 4857.179       
607.6245 5044.363       328.7086 149.4567 9.683692 154.2586 5.075545 -4.801956 
10.93321 
1 1 1 -17 -13 10 o 113.8572 3.915024  2756.977       167.9471 2763.379       
317.2107 2754.483       197.9711 113.6042 6.650809 114.1103 4.132359 
-0.5061111     7.830048 
1 1 1 -17 -13 11 o 31.18059 6.029624  219.4568       79.94854 209.0366       
129.8018 225.8263       101.4829 30.67206 9.285834 31.68912 7.694072 -1.017059 
12.05925 
1 1 1 -17 -13 12 o 43.15292 5.574578  436.6194       86.75370 360.5818       
163.1743 466.5820       102.4300 39.54465 9.852987 46.76120 5.217501 -7.216545 
11.14916 
1 1 1 -17 -13 13 o 55.39646 4.008743  652.0577       92.75567 739.3239       
139.4847 582.8743       124.1952 58.68715 5.661149 52.10577 5.677278 6.581387 
8.017487 
1 1 1 -17 -13 14 o 108.5905 3.893043  2579.177       170.2366 2381.089       
277.2917 2699.000       215.6631 104.7709 6.304014 112.4101 4.569743 -7.639137 
7.786086 
1 1 1 -17 -13 15 o 19.84819 5.829765  32.00572       80.45853 1.082088       
121.0471 56.48192       107.6914 19.09065 8.249225 20.60573 8.239839 -1.515078 
11.65953 
1 1 1 -17 -13 16 o 33.98220 6.018178  268.0285       80.93019 283.5922       
146.5146 261.1947       97.08524 34.26376 9.729538 33.70065 7.085897 0.5631104 
12.03636 
1 1 1 -17 -13 17 o 19.02164 5.658692  28.22149       75.78790 24.65005       
119.2397 30.64217       98.16776 19.60374 8.320272 18.43953 7.671782 1.164209 
11.31738 
1 1 1 -17 -13 18 o 36.89419 5.671992  323.9935       85.76783 407.8951       
126.0150 251.5844       117.0667 41.68042 7.472067 32.10796 8.535465 9.572464 
11.34398 
1 1 1 -17 -13 19 o 48.12304 5.152123  511.0492       99.28634 626.2986       
173.9297 455.3409       120.9246 51.45126 8.051907 44.79483 6.429953 6.656429 
10.30425 
1 1 1 -17 -13 20 o 19.08577 6.091482  -23.17472      103.8790 -142.5727      
183.8444 32.82369       125.9041 18.42362 8.756435 19.74791 8.470505 -1.324293 
12.18296 
1 1 1 -17 -13 21 o 21.86599 6.476887  66.79471       104.9567 -32.25822      
166.6228 131.9491       135.1365 19.64764 8.975192 24.08434 9.340568 -4.436697 
12.95377 
1 1 1 -17 -13 22 o 19.90499 6.331282  7.451585       112.4747 -78.19146      
186.2038 56.65094       141.1309 19.11804 8.983665 20.69195 8.923806 -1.573910 
12.66256 
1 1 1 -17 -13 23 o 56.64536 5.048019  798.2639       117.7128 871.3224       
187.9617 751.1208       150.9884 57.92769 7.728661 55.36302 6.495983 2.564667 
10.09604 
1 1 1 -17 -12 1  o 31.11339 7.945214  171.4921       131.9597 136.6629       
172.1871 221.0621       205.4181 28.60341 10.67901 33.62337 11.76710 -5.019958 
15.89043 
1 1 1 -17 -12 2  f 39.80214 6.991160  350.9011       115.9586 319.0980       
155.4018 390.8547       174.1805 37.81403 9.733237 41.79024 10.03840 -3.976212 
13.98232 
1 1 1 -17 -12 3  o 132.6797 5.120127  3590.821       245.6675 4062.775       
508.7809 3447.330       280.5384 137.6826 8.801827 127.6769 5.233605 10.00566 
10.24025 
1 1 1 -17 -12 4  o 49.68320 5.414237  558.6248       101.9989 462.1005       
170.9049 612.0272       127.1209 45.60475 9.248570 53.76164 5.632035 -8.156891 
10.82847 
1 1 1 -17 -12 5  f 143.2753 5.050238  4246.937       283.2791 4706.572       
512.4960 4044.725       339.9276 148.3822 8.226776 138.1685 5.860013 10.21376 
10.10048 
1 1 1 -17 -12 6  o 72.21121 3.943241  1047.533       108.3077 1237.792       
209.1482 977.8144       126.6060 76.35213 6.524603 68.07030 4.430142 8.281830 
7.886483 
1 1 1 -17 -12 7  o 156.0470 4.790081  5154.141       265.6477 5218.259       
549.6839 5134.603       303.4346 156.1584 8.384338 155.9356 4.634906 0.2228088 
9.580161 
1 1 1 -17 -12 8  o 98.18250 3.770945  1967.471       134.4169 2187.782       
275.9241 1898.919       153.9153 101.4630 6.477434 94.90202 3.863024 6.560974 
7.541891 
1 1 1 -17 -12 9  o 138.9505 5.085163  4156.436       242.2305 4063.276       
521.7694 4182.030       273.4889 137.2585 9.054418 140.6425 4.631742 -3.383987 
10.17033 
1 1 1 -17 -12 10 o 110.7024 4.519555  2525.632       176.8640 2781.689       
376.1155 2452.937       200.4035 113.7249 7.877471 107.6799 4.432940 6.045006 
9.039110 
1 1 1 -17 -12 11 o 47.14372 4.727475  453.2775       90.33933 567.0345       
154.1966 393.8238       111.4744 51.35857 7.151265 42.92887 6.185102 8.429695 
9.454949 
1 1 1 -17 -12 12 o 18.65008 5.868872  -46.06054      82.67539 14.62392       
158.3380 -68.80669      96.93938 22.51473 9.572851 14.78543 6.792285 7.729302 
11.73774 
1 1 1 -17 -12 13 o 64.20918 3.947839  903.9142       101.3999 804.6746       
165.8386 963.1678       128.1446 61.11543 6.463323 67.30293 4.535106 -6.187508 
7.895678 
1 1 1 -17 -12 14 o 65.59575 3.740623  959.7651       98.09716 766.3618       
154.4627 1090.502       126.9963 59.58703 6.174375 71.60447 4.224468 -12.01744 
7.481245 
1 1 1 -17 -12 15 f 81.86723 4.336013  1426.658       127.6827 1508.449       
261.4695 1401.046       146.3143 82.70401 7.530355 81.03045 4.300903 1.673561 
8.672026 
1 1 1 -17 -12 16 o 42.03238 5.236745  379.5207       88.27177 549.3773       
141.2109 270.5777       113.0907 49.95251 6.733363 34.11224 8.022209 15.84026 
10.47349 
1 1 1 -17 -12 17 o 69.47586 4.022359  1012.992       113.0490 1216.009       
193.1197 907.1562       139.4363 74.30152 6.190846 64.65021 5.137208 9.651314 
8.044718 
1 1 1 -17 -12 18 o 56.66832 4.238405  705.2912       98.91606 740.8760       
157.2342 681.9835       127.2520 57.58051 6.504180 55.75612 5.436171 1.824387 
8.476810 
1 1 1 -17 -12 19 o 52.65432 4.127380  614.7172       90.37122 636.3356       
138.4742 598.6785       119.2729 53.26854 6.191833 52.04010 5.459146 1.228432 
8.254761 
1 1 1 -17 -12 20 o 33.16600 6.909250  302.5113       107.1924 187.8182       
186.0324 359.5171       131.1533 28.21766 10.95603 38.11433 8.421190 -9.896669 
13.81850 
1 1 1 -17 -12 21 o 37.80475 6.876190  372.2072       106.8356 413.4602       
177.2732 348.6785       133.8796 38.69070 10.60288 36.91880 8.758253 1.771904 
13.75238 
1 1 1 -17 -12 22 o 38.07814 7.164962  406.3446       114.4594 397.6335       
190.3343 411.2794       143.2572 36.48635 11.28489 39.66993 8.831649 -3.183578 
14.32992 
1 1 1 -17 -12 23 o 29.53957 7.138892  264.7555       110.1192 195.9232       
175.6350 309.3396       141.3529 26.35379 10.52922 32.72535 9.643168 -6.371552 
14.27778 
1 1 1 -17 -12 24 o 27.92131 6.511211  209.8487       104.4778 36.79215       
142.7800 409.3114       153.2867 19.22008 8.597004 36.62255 9.781361 -17.40247 
13.02242 
1 1 1 -17 -11 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -11 2  o 35.92658 6.708001  288.6478       106.4066 184.1365       
153.9182 384.3199       147.2655 30.20528 10.20850 41.64788 8.704924 -11.44260 
13.41600 
1 1 1 -17 -11 3  o 86.83376 4.207963  1619.075       150.4440 1468.070       
230.1629 1731.718       198.7885 83.16085 6.592308 90.50666 5.231567 -7.345810 
8.415926 
1 1 1 -17 -11 4  o 47.07936 5.875234  465.0339       109.8161 547.4457       
184.6833 419.9580       136.5859 49.75294 9.186847 44.40577 7.326346 5.347172 
11.75047 
1 1 1 -17 -11 5  f 130.8456 5.211889  3689.112       234.4496 3573.756       
502.1513 3721.267       265.1200 128.9603 9.274698 132.7309 4.757638 -3.770660 
10.42378 
1 1 1 -17 -11 6  o 99.52509 3.973811  2079.030       146.5280 2135.578       
286.2253 2058.946       170.5747 100.2386 6.801334 98.81159 4.111759 1.426987 
7.947623 
1 1 1 -17 -11 7  o 47.70330 5.619729  509.5287       97.17404 460.4344       
181.7752 529.1728       114.9831 45.40070 9.814737 50.00589 5.476891 -4.605190 
11.23946 
1 1 1 -17 -11 8  o 67.78439 4.428305  950.7599       107.6662 1022.461       
223.1693 929.0089       122.9167 69.22372 7.678927 66.34506 4.412891 2.878662 
8.856609 
1 1 1 -17 -11 9  f 82.55101 4.053152  1368.610       120.9010 1596.920       
252.5457 1300.728       137.7063 86.59159 6.946809 78.51042 4.177798 8.081169 
8.106303 
1 1 1 -17 -11 10 f 131.7533 4.435529  3639.219       211.8199 3804.586       
429.2222 3585.980       243.5419 133.2577 7.672043 130.2489 4.453697 3.008774 
8.871058 
1 1 1 -17 -11 11 o 144.3763 4.874664  4442.800       254.7461 4500.836       
512.6710 4423.772       293.5512 144.2882 8.463093 144.4644 4.839986 
-0.1761932     9.749329 
1 1 1 -17 -11 12 o 108.2866 4.591520  2258.478       161.8521 2938.755       
398.8393 2124.364       177.0892 116.4142 8.160427 100.1589 4.211371 16.25533 
9.183040 
1 1 1 -17 -11 13 f 107.9520 4.540519  2538.441       178.4211 2431.850       
350.6974 2575.666       207.2476 105.7646 7.897929 110.1394 4.481960 -4.374733 
9.081038 
1 1 1 -17 -11 14 o 129.6594 3.817216  3625.272       201.0389 3481.499       
324.8405 3714.526       255.9435 127.2279 6.081472 132.0909 4.615219 -4.862976 
7.634432 
1 1 1 -17 -11 15 o 73.88094 3.796294  1139.829       110.5065 1265.249       
197.4129 1082.595       133.3580 76.50436 6.146254 71.25751 4.457685 5.246849 
7.592588 
1 1 1 -17 -11 16 o 53.47744 4.242259  634.0511       91.97342 561.8976       
145.3248 682.2618       118.7906 50.61942 6.838230 56.33546 5.022513 -5.716038 
8.484517 
1 1 1 -17 -11 17 o 38.67138 5.641881  379.2824       87.02634 219.0276       
141.9111 475.8750       110.1749 30.57374 9.789749 46.76902 5.611070 -16.19527 
11.28376 
1 1 1 -17 -11 18 o 23.07356 6.313592  94.52332       86.11260 99.74391       
134.1814 90.86747       112.2861 23.78702 9.290538 22.36010 8.551708 1.426914 
12.62718 
1 1 1 -17 -11 19 o 22.61072 5.989172  92.30060       82.77758 -0.4862714     
127.4653 159.9715       108.8554 19.07167 8.353323 26.14977 8.585030 -7.078104 
11.97834 
1 1 1 -17 -11 20 o 20.95277 5.841884  26.19298       83.91410 171.5925       
128.3039 -82.49149      110.9282 26.80673 9.307509 15.09881 7.062626 11.70791 
11.68377 
1 1 1 -17 -11 21 f 34.68592 7.193482  317.0894       109.1854 342.4958       
178.1523 301.8053       138.1782 35.25765 10.92039 34.11419 9.366422 1.143463 
14.38696 
1 1 1 -17 -11 22 o 23.50080 6.923971  91.35955       111.3402 149.7764       
178.0715 53.86252       142.6670 25.85295 10.48828 21.14864 9.042210 4.704311 
13.84794 
1 1 1 -17 -11 23 o 47.67992 5.511719  568.3668       104.7334 417.9823       
144.7168 733.7573       151.7653 39.64705 8.911600 55.71278 6.488418 -16.06573 
11.02344 
1 1 1 -17 -11 24 o 22.54722 6.253089  110.5881       94.90176 214.7342       
131.6379 -2.119533      136.9419 27.01666 9.423125 18.07778 8.222483 8.938881 
12.50618 
1 1 1 -17 -10 1  o 27.94879 6.914181  118.0403       108.3954 2.746393       
147.3662 253.9509       160.0006 21.68030 9.227156 34.21727 10.29967 -12.53697 
13.82836 
1 1 1 -17 -10 2  o 274.1581 17.78608  16917.82       2047.200 0.000000       
0.000000 16917.82       2047.200 ?        ?        274.1581 17.78608 ? ? 
1 1 1 -17 -10 3  o 98.56684 4.331595  2057.836       173.6007 2059.658       
283.1729 2056.739       219.7366 98.48955 6.848298 98.64413 5.305816 
-0.1545868     8.663191 
1 1 1 -17 -10 4  o 97.76083 4.328138  2049.942       152.9501 1977.866       
305.1631 2074.123       176.7541 96.35352 7.543720 99.16813 4.245398 -2.814606 
8.656276 
1 1 1 -17 -10 5  o 86.58958 3.933271  1523.117       125.4363 1722.202       
252.8681 1458.140       144.4634 90.02901 6.690101 83.15017 4.138241 6.878838 
7.866542 
1 1 1 -17 -10 6  o 52.03193 4.728871  563.0243       91.02305 601.5378       
179.8078 549.7540       105.5460 53.05853 8.071874 51.00533 4.928868 2.053200 
9.457742 
1 1 1 -17 -10 7  o 75.70345 4.139968  1172.218       112.9790 1297.069       
234.0823 1134.302       128.9986 78.07133 7.141642 73.33555 4.189783 4.735786 
8.279936 
1 1 1 -17 -10 8  f 127.2493 4.497153  3326.376       210.5571 3667.688       
422.5716 3213.647       242.8519 131.1367 7.675333 123.3620 4.689009 7.774651 
8.994307 
1 1 1 -17 -10 9  o 76.40971 4.380201  1270.650       120.1480 1176.899       
239.4885 1302.182       138.8914 74.25615 7.681981 78.56329 4.210917 -4.307137 
8.760403 
1 1 1 -17 -10 10 o 198.3928 7.656232  8338.934       509.9599 8954.836       
1151.625 8188.704       568.7634 200.7419 13.66450 196.0437 6.910348 4.698273 
15.31246 
1 1 1 -17 -10 11 o 95.67904 3.982190  1877.735       147.0324 2114.557       
274.0952 1782.056       174.2202 99.57005 6.556828 91.78802 4.520989 7.782028 
7.964379 
1 1 1 -17 -10 12 o 115.0283 4.082394  2771.726       181.0344 2938.162       
333.4684 2702.175       215.5664 117.1169 6.781976 112.9397 4.546271 4.177132 
8.164788 
1 1 1 -17 -10 13 o 102.2137 4.142386  2155.820       144.0942 2367.142       
322.5825 2103.144       161.0551 104.7200 7.337229 99.70741 3.847407 5.012634 
8.284773 
1 1 1 -17 -10 14 o 113.6001 4.171851  2789.223       185.2607 2700.469       
325.0776 2831.914       225.4558 111.8067 6.925327 115.3935 4.653729 -3.586792 
8.343701 
1 1 1 -17 -10 15 o 98.14359 3.794107  2099.027       147.8999 1946.357       
248.6070 2182.660       184.0035 94.98923 6.233902 101.2979 4.326598 -6.308693 
7.588214 
1 1 1 -17 -10 16 o 18.72148 5.779473  -16.45523      84.22624 16.60037       
134.1526 -37.96319      108.2122 20.71694 8.810056 16.72601 7.482790 3.990932 
11.55895 
1 1 1 -17 -10 17 o 81.85420 3.645574  1486.969       117.3485 1314.759       
198.0827 1580.091       145.6609 77.67039 6.074523 86.03802 4.032495 -8.367630 
7.291149 
1 1 1 -17 -10 18 o 78.45153 4.036073  1349.614       121.4442 1329.544       
220.8162 1358.317       145.4111 77.39430 6.795839 79.50876 4.356158 -2.114456 
8.072146 
1 1 1 -17 -10 19 o 25.38176 6.441631  138.6935       85.93908 146.8402       
137.5532 133.4776       110.0641 26.13498 9.580128 24.62853 8.613919 1.506454 
12.88326 
1 1 1 -17 -10 20 o 28.01669 5.944596  189.6349       87.50599 35.47700       
136.4111 297.4301       114.0688 20.83938 8.873661 35.19400 7.912714 -14.35462 
11.88919 
1 1 1 -17 -10 21 o 53.28108 3.866381  635.8490       85.86140 687.4140       
118.3214 578.4925       124.7892 55.80054 5.050636 50.76163 5.855483 5.038914 
7.732762 
1 1 1 -17 -10 22 o 29.33198 6.674543  215.2749       96.62373 137.6550       
130.9530 308.0325       143.1539 24.55429 9.280448 34.10967 9.595383 -9.555384 
13.34909 
1 1 1 -17 -10 23 o 17.81525 5.746559  -32.81591      95.58669 -15.46273      
133.3702 -51.14405      137.0655 18.21045 8.220095 17.42004 8.032546 0.7904167 
11.49312 
1 1 1 -17 -10 24 o 33.64343 6.876247  327.8186       104.2330 272.6707       
149.1512 380.4612       145.7240 30.42686 10.04917 36.86000 9.388571 -6.433146 
13.75249 
1 1 1 -17 -10 25 o 23.02471 6.161343  71.71395       96.95948 -101.5680      
127.6807 307.7660       149.0227 14.91312 7.147090 31.13630 10.03831 -16.22318 
12.32269 
1 1 1 -17 -9  1  o 44.87200 6.007167  454.4466       108.4061 585.6415       
148.7665 305.9062       158.2957 52.58138 6.738982 37.16263 9.946373 15.41875 
12.01433 
1 1 1 -17 -9  2  o 105.0023 4.154239  2324.052       179.6023 2369.860       
284.3961 2293.663       231.6378 105.7877 6.403384 104.2170 5.294098 1.570663 
8.308477 
1 1 1 -17 -9  3  o 131.3745 5.173094  3560.436       238.6898 3867.366       
510.9508 3474.757       269.9564 134.4633 9.050998 128.2858 5.012290 6.177490 
10.34619 
1 1 1 -17 -9  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -9  5  o 91.81581 4.199021  1734.271       143.6961 1899.928       
282.2930 1676.335       166.9434 94.50382 7.114948 89.12779 4.461461 5.376030 
8.398043 
1 1 1 -17 -9  6  o 88.22314 3.942291  1638.503       130.4235 1668.586       
249.4209 1627.182       153.0090 88.61085 6.704511 87.83544 4.149238 0.7754059 
7.884583 
1 1 1 -17 -9  7  o 138.0160 4.689896  3941.337       231.6011 4250.564       
482.0062 3848.514       264.0839 141.0298 8.140718 135.0022 4.659316 6.027649 
9.379792 
1 1 1 -17 -9  8  o 202.2564 6.078991  8624.065       464.2510 9069.156       
883.4112 8454.243       545.6765 204.9656 10.26604 199.5472 6.513443 5.418365 
12.15798 
1 1 1 -17 -9  9  o 122.0240 4.097354  3083.303       191.8626 3330.532       
358.0396 2983.711       227.2445 125.1646 6.813507 118.8834 4.552953 6.281158 
8.194709 
1 1 1 -17 -9  10 o 16.58860 5.543228  -135.5267      92.86754 -164.5809      
169.3088 -123.0236      111.0664 18.51507 8.674433 14.66213 6.903892 3.852942 
11.08646 
1 1 1 -17 -9  11 o 105.2784 4.295343  2370.259       166.0015 2324.052       
324.8442 2386.590       193.1217 104.2632 7.421048 106.2936 4.327579 -2.030418 
8.590687 
1 1 1 -17 -9  12 o 64.94609 4.198175  876.9913       105.0616 950.9897       
194.7164 846.6009       124.7843 66.66507 6.957053 63.22711 4.700864 3.437958 
8.396351 
1 1 1 -17 -9  13 o 86.09726 4.339211  1544.474       133.1170 1660.503       
278.2142 1510.024       151.5959 87.74944 7.551897 84.44509 4.275964 3.304344 
8.678422 
1 1 1 -17 -9  14 o 80.45039 4.051455  1404.979       123.8353 1331.422       
227.1604 1436.082       147.7145 78.60806 6.883140 82.29272 4.275459 -3.684662 
8.102911 
1 1 1 -17 -9  15 o 108.2865 4.121285  2562.340       176.8188 2365.492       
298.2557 2669.018       219.5639 104.6025 6.791532 111.9705 4.670661 -7.367981 
8.242571 
1 1 1 -17 -9  16 o 67.28880 4.170178  990.1881       114.4554 907.6480       
180.2673 1045.935       148.1475 64.67055 6.639441 69.90705 5.047710 -5.236504 
8.340357 
1 1 1 -17 -9  17 o 31.44028 6.263230  208.3076       84.49338 319.4877       
143.7996 149.6830       104.4201 36.86502 9.288616 26.01554 8.404392 10.84948 
12.52646 
1 1 1 -17 -9  18 o 84.64748 3.841950  1570.025       126.7944 1509.292       
222.7525 1599.134       154.2159 82.89350 6.400636 86.40145 4.251374 -3.507950 
7.683900 
1 1 1 -17 -9  19 o 73.21979 3.619281  1175.698       107.2943 1122.430       
174.1543 1208.286       136.2161 71.51498 5.800402 74.92460 4.330372 -3.409622 
7.238563 
1 1 1 -17 -9  20 o 58.00001 3.746237  731.3336       90.80553 827.9481       
135.7172 653.0274       122.1832 61.45497 5.260161 54.54504 5.335528 6.909931 
7.492473 
1 1 1 -17 -9  21 o 21.78019 5.902144  88.64766       75.55309 117.7465       
112.3961 64.66018       102.0483 23.44311 8.652620 20.11728 8.029532 3.325834 
11.80429 
1 1 1 -17 -9  22 o 43.90143 4.764625  443.4605       87.68743 477.4790       
127.2702 412.7186       120.9858 45.54857 6.655384 42.25429 6.820005 3.294277 
9.529250 
1 1 1 -17 -9  23 o 71.04751 4.002944  1151.552       116.1135 1177.144       
149.3808 1112.487       184.5615 72.72247 4.892685 69.37255 6.336867 3.349915 
8.005889 
1 1 1 -17 -9  24 o 49.94444 5.155377  605.3232       107.7887 665.6786       
155.3737 549.3259       149.6593 52.57168 7.039580 47.31720 7.533655 5.254482 
10.31075 
1 1 1 -17 -9  25 o 53.60831 5.504056  753.7426       114.4930 525.8082       
162.2438 979.8524       161.5932 43.15983 9.223575 64.05680 6.008677 -20.89697 
11.00811 
1 1 1 -17 -8  1  o 67.17789 4.214982  940.3341       117.9826 844.5909       
155.6936 1069.467       180.8155 63.22503 5.865470 71.13075 6.054794 -7.905727 
8.429963 
1 1 1 -17 -8  2  o 166.5359 4.633252  5859.374       322.9618 6035.515       
478.5129 5712.006       437.6868 168.7847 6.752765 164.2870 6.345726 4.497726 
9.266503 
1 1 1 -17 -8  3  o 160.2179 4.656865  5451.164       277.7481 5414.539       
533.9355 5464.752       325.2128 159.4967 7.973667 160.9390 4.813129 -1.442215 
9.313730 
1 1 1 -17 -8  4  o 157.8908 6.046984  5236.207       313.5426 5466.829       
726.8729 5183.486       347.5385 159.1597 10.87793 156.6219 5.285322 2.537781 
12.09397 
1 1 1 -17 -8  5  o 73.67239 4.642869  1145.612       143.6052 0.000000       
0.000000 1145.612       143.6052 ?        ?        73.67239 4.642869 ? ? 
1 1 1 -17 -8  6  f 68.60162 4.156157  980.4538       105.7071 1032.905       
207.5056 962.0724       122.8411 69.67539 7.093677 67.52786 4.332931 2.147530 
8.312313 
1 1 1 -17 -8  7  o 31.09036 5.494066  240.8892       85.49770 -30.01904      
156.0572 357.0768       102.2004 21.13543 9.250142 41.04530 5.930759 -19.90987 
10.98813 
1 1 1 -17 -8  8  o 80.16685 4.005639  1269.673       115.0488 1539.598       
245.3951 1193.629       130.2506 85.09966 6.868458 75.23404 4.123695 9.865616 
8.011278 
1 1 1 -17 -8  9  o 216.7836 6.350390  9878.540       498.0172 10485.29       
1014.377 9685.838       571.6564 219.9329 10.98576 213.6343 6.373604 6.298584 
12.70078 
1 1 1 -17 -8  10 o 66.17270 4.390413  929.1713       107.4544 929.0413       
208.9642 929.2180       125.2884 66.00110 7.541224 66.34429 4.498094 
-0.3431931     8.780826 
1 1 1 -17 -8  11 o 49.90982 5.648537  525.6119       100.3361 575.0042       
201.5318 509.3341       115.6942 50.80008 9.799032 49.01957 5.621641 1.780514 
11.29707 
1 1 1 -17 -8  12 f 85.01239 3.606595  1558.909       122.9468 1433.514       
202.3162 1632.332       154.8118 82.12406 5.867882 87.90073 4.195007 -5.776665 
7.213191 
1 1 1 -17 -8  13 o 52.20216 5.366636  589.6052       99.51607 604.3296       
196.8603 584.5507       115.3385 51.94687 9.368897 52.45745 5.237069 
-0.5105858     10.73327 
1 1 1 -17 -8  14 o 77.86279 3.970077  1232.026       114.1222 1424.859       
230.0916 1169.111       131.4271 81.43807 6.729680 74.28750 4.213958 7.150574 
7.940153 
1 1 1 -17 -8  15 o 23.36870 6.337101  87.04382       87.35880 35.30779       
145.4491 116.2386       109.2615 22.41593 9.332991 24.32148 8.575003 -1.905552 
12.67420 
1 1 1 -17 -8  16 o 34.21501 6.226153  281.7190       90.00121 198.7097       
151.6844 326.8220       111.8099 30.23858 10.13415 38.19144 7.235945 -7.952860 
12.45231 
1 1 1 -17 -8  17 o 21.17020 6.020535  49.01632       81.67630 88.08034       
126.1297 20.80613       107.1845 23.35669 9.031032 18.98370 7.964159 4.372986 
12.04107 
1 1 1 -17 -8  18 o 39.11774 5.587259  312.1691       88.07156 521.7298       
151.5074 205.2148       108.2375 48.49126 7.442028 29.74421 8.335832 18.74706 
11.17452 
1 1 1 -17 -8  19 o 88.08185 3.173809  1670.706       116.6379 1655.414       
174.4093 1683.079       156.8813 87.59203 4.742706 88.57166 4.218884 
-0.9796219     6.347617 
1 1 1 -17 -8  20 o 82.03151 3.142473  1454.961       108.1319 1406.946       
154.2491 1501.359       151.6278 80.64033 4.556082 83.42268 4.329281 -2.782356 
6.284947 
1 1 1 -17 -8  21 o 44.82493 4.465950  449.9583       83.91706 431.9213       
114.8674 470.6034       122.8919 43.90218 6.232062 45.74768 6.398455 -1.845509 
8.931899 
1 1 1 -17 -8  22 o 93.32720 3.341374  1910.123       130.8374 2006.979       
187.2141 1817.654       182.9244 95.69422 4.659871 90.96018 4.790065 4.734039 
6.682748 
1 1 1 -17 -8  23 o 59.41338 3.861081  786.2576       95.62514 668.3646       
129.5611 927.3261       141.7248 54.40757 5.672002 64.41919 5.240244 -10.01162 
7.722161 
1 1 1 -17 -8  24 f 64.33943 3.778611  940.3532       100.8534 906.7325       
152.8260 966.2907       134.2325 62.91644 5.785678 65.76242 4.861844 -2.845982 
7.557221 
1 1 1 -17 -8  25 o 32.18139 7.084741  305.2365       106.1035 286.4732       
151.3919 323.3503       148.7491 31.07786 10.12438 33.28492 9.913185 -2.207054 
14.16948 
1 1 1 -17 -8  26 o 37.05192 5.931442  384.9903       105.5312 141.6475       
143.9412 667.8125       155.1789 23.02849 9.399879 51.07534 7.236732 -28.04685 
11.86288 
1 1 1 -17 -7  1  o 87.68553 3.971138  1620.206       145.9468 1574.077       
199.6443 1673.153       213.8913 86.35716 5.506550 89.01391 5.723430 -2.656746 
7.942276 
1 1 1 -17 -7  2  o 43.20022 5.986602  407.2524       105.1757 421.9788       
139.0421 387.5563       160.8008 44.59769 7.425999 41.80274 9.392132 2.794952 
11.97320 
1 1 1 -17 -7  3  o 87.68130 3.574563  1563.663       123.7734 1794.523       
221.8503 1459.328       149.1427 92.14288 5.734814 83.21971 4.268712 8.923172 
7.149125 
1 1 1 -17 -7  4  o 71.67866 3.355571  1082.200       98.05728 1091.652       
159.2335 1076.426       124.4546 71.88741 5.275975 71.46990 4.147713 0.4175110 
6.711143 
1 1 1 -17 -7  5  o 160.9671 5.237512  5365.026       297.1824 5787.810       
631.7407 5244.879       336.7722 164.3666 9.154746 157.5677 5.090848 6.798935 
10.47502 
1 1 1 -17 -7  6  o 180.4965 6.430017  6786.501       406.2191 7359.594       
871.9069 6627.618       459.0882 184.1924 11.27508 176.8007 6.184909 7.391724 
12.86003 
1 1 1 -17 -7  7  o 79.14821 7.750553  1336.646       257.5447 1336.646       
257.5447 0.000000       0.000000 79.14821 7.750553 ?        ?        ? ? 
1 1 1 -17 -7  8  o 131.0959 5.371781  3683.472       251.2859 3627.533       
513.0146 3701.130       288.2307 129.8947 9.407180 132.2971 5.189326 -2.402405 
10.74356 
1 1 1 -17 -7  9  o 159.3985 5.121277  5404.794       313.4854 5418.808       
573.5624 5398.825       374.3463 159.0953 8.587057 159.7018 5.583221 
-0.6064758     10.24255 
1 1 1 -17 -7  10 o 179.4083 6.862231  6692.928       394.2754 7310.224       
952.3912 6565.251       433.1346 182.7948 12.41002 176.0218 5.861077 6.773026 
13.72446 
1 1 1 -17 -7  11 o 48.49972 5.761526  502.7313       104.5455 533.9227       
192.9834 489.7750       124.3774 48.96272 9.733762 48.03672 6.167219 0.9259987 
11.52305 
1 1 1 -17 -7  12 o 132.0629 4.154195  3687.743       222.2807 3762.425       
367.3985 3644.622       279.1714 132.9210 6.583622 131.2049 5.068064 1.716125 
8.308391 
1 1 1 -17 -7  13 o 46.08530 5.508742  420.5481       98.25980 588.0853       
182.5371 352.1947       116.5938 52.21056 8.327485 39.96005 7.213734 12.25051 
11.01748 
1 1 1 -17 -7  14 o 75.85655 4.521400  1209.544       123.0987 1274.798       
253.3044 1189.369       140.8492 76.80039 7.855980 74.91271 4.478371 1.887680 
9.042800 
1 1 1 -17 -7  15 o 56.91952 4.825177  700.0912       108.8425 690.5172       
186.8562 705.0077       133.9046 56.37957 7.894177 57.45947 5.550793 -1.079891 
9.650354 
1 1 1 -17 -7  16 o 47.52830 4.797574  493.7183       92.61041 465.5721       
148.7257 511.5435       118.3570 46.21877 7.664587 48.83782 5.772432 -2.619053 
9.595148 
1 1 1 -17 -7  17 o 25.15103 6.568591  109.9021       88.44239 156.4788       
150.3533 85.25896       109.3646 27.90388 10.03667 22.39818 8.476487 5.505703 
13.13718 
1 1 1 -17 -7  18 o 56.49566 3.628490  684.7309       85.94289 733.0350       
125.1886 641.6722       118.1958 58.38142 5.107531 54.60989 5.155277 3.771530 
7.256979 
1 1 1 -17 -7  19 o 29.95056 6.168070  210.3813       82.29636 201.5117       
119.0178 218.5071       113.9189 29.38900 8.890599 30.51213 8.552052 -1.123129 
12.33614 
1 1 1 -17 -7  20 o 56.47394 3.876141  690.5668       91.39252 799.2682       
136.2348 601.6173       123.2374 60.52615 5.361251 52.42173 5.599540 8.104424 
7.752281 
1 1 1 -17 -7  21 o 23.82983 6.173836  118.4238       81.58363 92.50671       
115.7419 144.0163       115.0148 22.40104 8.653299 25.25862 8.808259 -2.857588 
12.34767 
1 1 1 -17 -7  22 o 24.33246 6.115711  133.3556       79.16961 156.8475       
110.3753 108.4618       113.6207 25.71597 8.644757 22.94894 8.653085 2.767031 
12.23142 
1 1 1 -17 -7  23 o 27.49994 6.276780  190.1978       83.03098 168.0342       
124.1161 208.1516       111.7086 26.22656 9.149716 28.77331 8.595032 -2.546757 
12.55356 
1 1 1 -17 -7  24 o 56.77710 4.035585  735.0627       95.66811 706.4854       
140.8278 759.5523       130.3672 55.48311 6.045728 58.07108 5.347239 -2.587967 
8.071170 
1 1 1 -17 -7  25 o 34.11937 6.095269  312.7849       87.23823 283.4744       
134.7572 333.9307       114.4599 31.98868 9.412129 36.25006 7.747325 -4.261385 
12.19054 
1 1 1 -17 -7  26 o 17.27975 5.649150  -32.98975      96.68146 -62.46677      
131.5577 1.624110       142.5606 16.14647 7.579360 18.41302 8.378836 -2.266541 
11.29830 
1 1 1 -17 -6  1  o 62.09968 4.283184  814.8286       111.6550 819.7075       
156.9280 809.8265       158.8985 62.29168 6.000555 61.90767 6.113592 0.3840065 
8.566368 
1 1 1 -17 -6  2  o 84.17607 4.069994  1497.332       143.7655 1535.002       
202.0992 1458.742       204.5533 85.25816 5.646116 83.09397 5.863514 2.164192 
8.139989 
1 1 1 -17 -6  3  o 94.68198 3.468711  1935.444       129.3883 1757.005       
220.1684 2029.583       159.9174 91.18429 5.751169 98.17966 3.879674 -6.995377 
6.937421 
1 1 1 -17 -6  4  o 207.9244 5.849541  9011.172       467.2190 9710.073       
869.2576 8727.232       554.0569 212.8854 9.725761 202.9634 6.502162 9.922043 
11.69908 
1 1 1 -17 -6  5  o 144.2887 4.145258  4518.822       229.9291 4116.622       
409.5841 4703.894       277.8387 139.2305 7.006961 149.3470 4.431159 -10.11644 
8.290517 
1 1 1 -17 -6  6  o 127.0826 3.808708  3401.264       196.3214 3469.361       
323.7273 3361.652       246.9051 127.9671 6.025622 126.1980 4.660139 1.769180 
7.617415 
1 1 1 -17 -6  7  o 75.54350 4.303255  1258.316       120.4929 1104.145       
225.4420 1319.968       142.5640 71.98645 7.459422 79.10056 4.292906 -7.114113 
8.606510 
1 1 1 -17 -6  8  o 46.22065 5.656909  452.4082       109.7727 0.000000       
0.000000 452.4082       109.7727 ?        ?        46.22065 5.656909 ? ? 
1 1 1 -17 -6  9  o 170.1698 6.524351  6061.706       374.5120 6487.891       
842.3076 5956.691       418.1145 172.6839 11.61823 167.6558 5.940155 5.028137 
13.04870 
1 1 1 -17 -6  10 o 107.6773 4.928625  2561.850       195.8852 2258.574       
369.1536 2680.712       231.1053 102.7127 8.560600 112.6420 4.886869 -9.929321 
9.857249 
1 1 1 -17 -6  11 o 180.5383 5.902489  6951.506       379.8556 7024.060       
781.1528 6929.037       434.7141 180.2302 10.32356 180.8465 5.725518 
-0.6163025     11.80498 
1 1 1 -17 -6  12 o 77.03107 4.127791  1283.021       122.3898 1196.606       
218.8930 1322.324       147.6214 74.93749 6.957509 79.12466 4.443841 -4.187164 
8.255583 
1 1 1 -17 -6  13 o 102.9303 3.661692  2225.309       150.2610 2312.636       
258.6148 2180.804       184.6213 104.2878 5.906644 101.5728 4.329378 2.714996 
7.323384 
1 1 1 -17 -6  14 o 60.99495 4.763564  756.6754       112.0828 899.6854       
211.2066 700.6125       132.2397 64.60143 7.787291 57.38847 5.488558 7.212959 
9.527128 
1 1 1 -17 -6  15 o 27.82682 6.799084  153.7642       93.75043 176.0005       
156.7566 141.3817       116.9762 29.43829 10.28149 26.21534 8.899502 3.222946 
13.59817 
1 1 1 -17 -6  16 o 120.7513 4.198597  3109.705       196.2115 3170.932       
355.3168 3082.843       235.3498 121.1116 6.987971 120.3910 4.656300 0.7206192 
8.397194 
1 1 1 -17 -6  17 o 18.57403 5.558972  11.99643       74.81077 13.46126       
109.2449 10.70291       102.6588 18.89417 7.988699 18.25389 7.732358 0.6402779 
11.11794 
1 1 1 -17 -6  18 o 60.49075 3.498951  780.4604       88.63348 852.1201       
130.7685 719.5647       120.5477 63.04821 4.940280 57.93328 4.956236 5.114929 
6.997902 
1 1 1 -17 -6  19 o 22.80609 5.981854  96.89477       76.92289 72.55377       
110.8003 119.5423       106.8766 21.56959 8.438714 24.04260 8.480474 -2.473011 
11.96371 
1 1 1 -17 -6  20 o 40.21604 5.131131  374.6920       82.88497 263.2018       
117.1304 486.5127       117.3039 33.33152 8.374029 47.10055 5.932086 -13.76903 
10.26226 
1 1 1 -17 -6  21 o 81.76942 3.234851  1446.302       110.8827 1479.270       
162.0197 1417.257       152.0759 82.59051 4.672603 80.94833 4.474799 1.642174 
6.469702 
1 1 1 -17 -6  22 o 70.13791 3.488107  1045.411       100.6809 1242.398       
163.3322 924.6923       127.8619 75.16084 5.176083 65.11497 4.677151 10.04587 
6.976215 
1 1 1 -17 -6  23 o 72.54350 3.439066  1155.277       103.0289 1179.239       
161.3418 1138.779       133.8804 72.87900 5.273094 72.20800 4.416239 0.6709976 
6.878131 
1 1 1 -17 -6  24 o 20.52157 5.884893  47.48399       78.72606 140.6103       
129.9685 -6.487969      98.94324 24.62531 9.261210 16.41784 7.263460 8.207470 
11.76979 
1 1 1 -17 -6  25 o 54.53881 3.955112  675.0390       90.27962 747.5993       
133.4949 613.8844       122.5548 57.25456 5.553616 51.82306 5.632851 5.431503 
7.910225 
1 1 1 -17 -6  26 o 17.30530 5.503321  -28.11760      89.54713 -143.7590      
133.8395 65.60199       120.4877 14.71192 7.111938 19.89867 8.400388 -5.186744 
11.00664 
1 1 1 -17 -6  27 o 26.93686 7.095721  230.5568       112.1392 152.5265       
163.9766 299.1124       153.6992 23.55938 9.865690 30.31434 10.20123 -6.754961 
14.19144 
1 1 1 -17 -5  1  o 51.33117 5.411585  554.6287       116.1265 491.4742       
157.3149 630.2470       172.1399 48.13484 7.784513 54.52749 7.519467 -6.392651 
10.82317 
1 1 1 -17 -5  2  o 164.7234 5.589530  5724.963       383.6847 6047.815       
585.2837 5481.656       508.0915 168.6834 8.264472 160.7633 7.527938 7.920120 
11.17906 
1 1 1 -17 -5  3  o 49.23038 4.865345  563.8566       89.13016 388.2403       
144.1248 672.6149       113.4195 41.98213 8.473882 56.47863 4.783267 -14.49651 
9.730689 
1 1 1 -17 -5  4  o 42.26400 5.179609  390.8162       84.76911 370.6183       
143.5811 401.6235       105.0271 40.93957 8.624095 43.58843 5.739198 -2.648861 
10.35922 
1 1 1 -17 -5  5  o 210.9981 4.977947  9488.561       428.6613 9293.542       
688.5966 9611.952       547.7341 208.9310 7.850241 213.0652 6.123198 -4.134155 
9.955894 
1 1 1 -17 -5  6  o 66.80217 3.694467  938.5677       97.94547 957.1436       
169.4480 929.2469       120.0286 67.22387 6.003908 66.38047 4.306907 0.8433990 
7.388935 
1 1 1 -17 -5  7  o 109.7892 3.745630  2679.735       152.5532 2261.339       
281.9294 2852.957       181.4046 103.2117 6.506274 116.3667 3.713133 -13.15501 
7.491259 
1 1 1 -17 -5  8  o 42.42477 5.322641  455.3451       82.36959 236.8357       
139.9219 571.2278       101.8966 32.83982 9.567931 52.00972 4.666555 -19.16990 
10.64528 
1 1 1 -17 -5  9  f 176.8532 5.568756  6735.311       346.5834 6564.785       
719.5656 6786.821       395.4806 174.5704 9.817952 179.1360 5.258517 -4.565674 
11.13751 
1 1 1 -17 -5  10 o 102.0726 7.538111  2220.591       323.0359 2220.591       
323.0359 0.000000       0.000000 102.0726 7.538111 ?        ?        ? ? 
1 1 1 -17 -5  11 o 63.53979 4.689894  776.7298       112.8959 1052.633       
224.6704 683.5309       130.5789 70.25156 7.617472 56.82803 5.473075 13.42353 
9.379788 
1 1 1 -17 -5  12 o 47.38374 5.258731  492.4315       96.95014 464.8075       
161.4535 508.0091       121.2427 45.82738 8.706174 48.94010 5.900810 -3.112717 
10.51746 
1 1 1 -17 -5  13 o 269.0141 8.699297  16126.21       862.7586 15661.78       
1660.911 16297.83       1009.663 263.0157 15.04132 275.0125 8.744703 -11.99683 
17.39859 
1 1 1 -17 -5  14 o 152.8795 5.399347  5119.654       302.6382 4823.537       
585.7439 5227.490       353.4738 148.8907 9.370464 156.8684 5.367140 -7.977615 
10.79869 
1 1 1 -17 -5  15 o 44.41037 6.070703  418.5404       104.8974 530.4052       
181.3690 362.3124       128.5857 48.53176 9.234173 40.28898 7.883134 8.242775 
12.14141 
1 1 1 -17 -5  16 o 48.26831 4.955806  478.2270       95.15629 581.1505       
169.4144 430.7914       115.0125 51.71588 7.802746 44.82074 6.112053 6.895142 
9.911612 
1 1 1 -17 -5  17 o 101.5857 3.154086  2189.286       134.3307 2073.082       
184.2546 2321.123       196.2578 98.72084 4.445601 104.4507 4.475451 -5.729813 
6.308172 
1 1 1 -17 -5  18 o 33.55351 5.560146  257.3893       77.04359 241.7192       
108.5648 273.2874       109.3517 32.48151 8.002648 34.62552 7.721302 -2.144009 
11.12029 
1 1 1 -17 -5  19 o 42.04065 4.756441  398.5918       79.78828 294.7239       
112.4372 503.9526       113.2424 35.81916 7.698020 48.26214 5.588865 -12.44297 
9.512882 
1 1 1 -17 -5  20 o 45.13507 4.273074  441.8202       80.34921 525.8839       
119.7167 372.9136       108.3879 49.07463 5.810573 41.19551 6.266887 7.879116 
8.546147 
1 1 1 -17 -5  21 f 35.05653 5.342047  266.0276       78.04176 416.7274       
125.4809 170.9634       99.66203 43.10713 6.933455 27.00592 8.128781 16.10121 
10.68409 
1 1 1 -17 -5  22 f 22.82859 6.137528  98.67052       81.96495 132.0402       
119.0733 68.61953       112.9971 24.62381 8.924383 21.03338 8.428071 3.590429 
12.27506 
1 1 1 -17 -5  23 o 72.76202 3.316442  1131.165       99.82051 1329.717       
158.6609 1001.085       128.4213 77.80891 4.856929 67.71515 4.517232 10.09376 
6.632884 
1 1 1 -17 -5  24 o 66.71941 3.577340  989.6525       99.51031 980.8013       
149.1523 996.7531       133.5882 66.22197 5.364743 67.21685 4.733814 
-0.9948807     7.154681 
1 1 1 -17 -5  25 o 58.01640 3.779630  753.0948       91.57748 825.8165       
138.4706 696.5602       122.0907 60.39498 5.461069 55.63782 5.226771 4.757164 
7.559260 
1 1 1 -17 -5  26 o 34.69081 6.015878  301.4378       87.00320 445.7414       
141.0296 212.7744       110.5462 41.24858 8.434947 28.13303 8.579907 13.11555 
12.03176 
1 1 1 -17 -5  27 o 35.82435 6.052626  339.2571       89.22853 485.6234       
145.0902 250.2290       113.1570 41.99254 8.526581 29.65616 8.592702 12.33638 
12.10525 
1 1 1 -17 -4  1  o 132.5063 4.702743  3578.023       241.4349 4066.559       
447.8780 3377.908       286.6496 138.4772 7.703757 126.5354 5.395857 11.94177 
9.405485 
1 1 1 -17 -4  2  o 42.95499 6.022943  416.8698       106.5394 629.2598       
150.9034 205.7918       150.4366 54.53595 6.590785 31.37404 10.08290 23.16192 
12.04589 
1 1 1 -17 -4  3  o 200.1829 5.610990  8588.456       446.1483 8281.047       
759.0195 8750.735       551.4747 197.0147 9.176464 203.3512 6.459516 -6.336487 
11.22198 
1 1 1 -17 -4  4  o 158.5551 4.893100  5223.400       279.0820 5539.262       
574.2234 5125.716       319.3342 161.2356 8.482833 155.8745 4.879679 5.361099 
9.786201 
1 1 1 -17 -4  5  o 95.70958 3.860955  1972.484       147.7354 1809.780       
244.6263 2065.896       185.3545 92.43730 6.303429 98.98186 4.460347 -6.544563 
7.721911 
1 1 1 -17 -4  6  o 192.8824 6.041758  8067.169       453.6753 7621.689       
797.0977 8280.627       551.7637 188.2186 10.08719 197.5462 6.652816 -9.327667 
12.08352 
1 1 1 -17 -4  7  o 93.01445 3.535188  1770.267       120.4907 1947.412       
243.3766 1712.751       138.6787 95.85921 6.047361 90.16969 3.663282 5.689522 
7.070376 
1 1 1 -17 -4  8  o 56.17374 4.346381  756.3431       88.99731 461.5203       
150.8252 913.8286       110.2335 46.51115 7.723920 65.83632 3.988130 -19.32516 
8.692762 
1 1 1 -17 -4  9  o 90.11806 3.747347  1581.493       109.8844 1941.425       
268.2527 1508.920       120.4541 95.58617 6.684517 84.64994 3.389347 10.93623 
7.494694 
1 1 1 -17 -4  10 o 226.7589 8.928885  11455.20       741.0905 10819.71       
1433.662 11686.92       865.7266 220.0042 15.52162 233.5135 8.830591 -13.50931 
17.85777 
1 1 1 -17 -4  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -4  12 o 76.99867 4.235966  1239.172       127.6903 1308.409       
228.6403 1207.790       153.9327 78.40218 6.946176 75.59516 4.850182 2.807022 
8.471931 
1 1 1 -17 -4  13 o 32.01130 6.635639  202.9107       93.63275 319.5995       
158.1776 139.9674       116.1730 37.72623 9.872665 26.29635 8.868896 11.42988 
13.27128 
1 1 1 -17 -4  14 o 67.91369 4.588670  926.6729       114.0568 1104.514       
234.5350 871.5859       130.5316 71.68662 7.792749 64.14075 4.847332 7.545868 
9.177341 
1 1 1 -17 -4  15 o 89.91609 4.474458  1727.482       152.2470 1733.000       
285.3621 1725.286       180.0065 89.65355 7.581408 90.17863 4.754509 
-0.5250854     8.948916 
1 1 1 -17 -4  16 o 20.20079 5.616031  22.72916       79.17555 121.1748       
106.1207 -100.8746      118.9098 24.54384 8.470218 15.85773 7.376628 8.686114 
11.23206 
1 1 1 -17 -4  17 o 59.41726 3.576469  753.6027       89.12318 794.9247       
126.2986 712.6182       125.7814 61.06499 4.926372 57.76952 5.186076 3.295471 
7.152938 
1 1 1 -17 -4  18 o 48.17564 4.472600  498.0428       89.46313 404.0554       
121.3098 610.1096       132.4647 43.14503 6.697093 53.20626 5.930054 -10.06123 
8.945199 
1 1 1 -17 -4  19 o 119.6179 3.370076  3081.779       168.3295 2790.564       
242.0309 3354.609       234.2665 113.9617 5.058630 125.2741 4.454203 -11.31238 
6.740153 
1 1 1 -17 -4  20 o 29.75990 5.746187  207.5116       77.47814 126.6701       
112.1109 281.4199       107.1956 24.59955 8.684773 34.92024 7.526577 -10.32069 
11.49237 
1 1 1 -17 -4  21 o 34.43596 5.829116  290.5270       82.83522 229.6868       
132.3174 329.7397       106.2269 30.93579 9.377322 37.93613 6.926774 -7.000338 
11.65823 
1 1 1 -17 -4  22 o 86.11698 3.318795  1602.200       119.1645 1688.030       
181.1620 1536.742       158.2085 88.00488 4.903221 84.22908 4.473926 3.775803 
6.637589 
1 1 1 -17 -4  23 o 32.97065 6.101433  266.3917       84.78355 290.7371       
129.7169 248.2347       112.0237 34.12426 8.945288 31.81704 8.300106 2.307220 
12.20287 
1 1 1 -17 -4  24 o 21.41656 5.907086  87.69255       76.67336 70.41882       
118.5038 100.1306       100.5579 21.01548 8.545406 21.81763 8.157861 
-0.8021488     11.81417 
1 1 1 -17 -4  25 o 36.37563 5.771351  336.3021       88.87031 242.3829       
128.0558 423.5652       123.4347 30.31421 9.232312 42.43705 6.928086 -12.12284 
11.54270 
1 1 1 -17 -4  26 o 31.50327 6.198342  252.7151       93.22849 419.6266       
139.9173 119.4417       125.0259 40.09588 8.563035 22.91066 8.963941 17.18522 
12.39668 
1 1 1 -17 -4  27 o 54.20274 4.674176  719.0619       106.2861 738.7806       
149.3421 698.8229       151.2994 55.13898 6.451260 53.26648 6.765569 1.872501 
9.348351 
1 1 1 -17 -3  1  o 65.09856 4.820005  882.1854       130.2540 719.6840       
173.2960 1093.202       197.4777 58.29920 7.080225 71.89790 6.542187 -13.59870 
9.640010 
1 1 1 -17 -3  2  o 94.32208 3.872926  1767.047       136.5452 2123.826       
272.4353 1647.356       157.7955 100.2029 6.475962 88.44129 4.249722 11.76158 
7.745852 
1 1 1 -17 -3  3  o 80.84532 3.336824  1397.141       109.6640 1296.319       
175.3177 1461.946       140.5567 78.36810 5.328531 83.32253 4.018001 -4.954430 
6.673648 
1 1 1 -17 -3  4  o 238.5268 5.476017  12051.57       521.8239 12224.62       
888.8154 11960.54       644.6137 239.3827 8.843820 237.6709 6.460178 1.711761 
10.95203 
1 1 1 -17 -3  5  o 97.60017 3.182330  2029.684       127.7332 1895.658       
198.1739 2124.937       167.0672 94.76540 4.981014 100.4349 3.962118 -5.669540 
6.364659 
1 1 1 -17 -3  6  o 63.41936 4.061420  896.0319       101.7476 689.8670       
162.6746 1028.514       130.4037 57.00872 6.796722 69.83001 4.448044 -12.82129 
8.122840 
1 1 1 -17 -3  7  f 72.49121 3.805712  1081.294       103.8879 1179.820       
200.6105 1045.189       121.4401 74.57383 6.407495 70.40860 4.108255 4.165230 
7.611423 
1 1 1 -17 -3  8  f 120.6811 4.075969  3102.363       178.8749 3049.344       
355.4936 3120.338       206.9867 119.7133 7.073109 121.6488 4.052804 -1.935493 
8.151937 
1 1 1 -17 -3  9  o 150.2235 4.432679  4769.598       212.5231 4817.303       
507.6190 4759.459       234.0202 150.1554 8.052264 150.2916 3.708854 
-0.1362000     8.865357 
1 1 1 -17 -3  10 o 63.00659 3.738717  864.3032       79.37670 798.0440       
172.7906 882.0259       89.36407 61.28642 6.715479 64.72676 3.288517 -3.440338 
7.477433 
1 1 1 -17 -3  11 o 146.2325 5.464673  4171.898       183.0220 5052.390       
669.8868 4100.872       190.2607 152.8949 10.43589 139.5702 3.246965 13.32469 
10.92935 
1 1 1 -17 -3  12 o 99.33105 4.293281  2082.054       179.0413 0.000000       
0.000000 2082.054       179.0413 ?        ?        99.33105 4.293281 ? ? 
1 1 1 -17 -3  13 o 97.05590 6.791371  2006.177       276.7314 2006.177       
276.7314 0.000000       0.000000 97.05590 6.791371 ?        ?        ? ? 
1 1 1 -17 -3  14 o 113.5553 4.170260  2749.865       176.6289 2725.292       
338.1074 2759.088       207.1413 112.8650 7.135367 114.2455 4.318657 -1.380440 
8.340520 
1 1 1 -17 -3  15 o 23.67937 6.141101  84.78989       83.90659 161.9711       
122.1426 15.81986       115.4626 27.71061 9.093907 19.64812 8.255503 8.062494 
12.28220 
1 1 1 -17 -3  16 o 94.51454 3.169843  1894.340       125.6718 1874.559       
173.7529 1916.041       181.9865 94.01522 4.402050 95.01385 4.562189 
-0.9986343     6.339685 
1 1 1 -17 -3  17 o 62.64680 3.670298  837.4857       96.53330 834.1500       
136.3112 840.8419       136.7271 62.52116 5.193088 62.77243 5.188082 
-0.2512703     7.340596 
1 1 1 -17 -3  18 o 73.92499 3.509509  1160.674       108.4724 1025.108       
147.7352 1319.242       159.7779 69.23780 5.082317 78.61217 4.841144 -9.374374 
7.019019 
1 1 1 -17 -3  19 o 45.43390 4.398245  436.0524       82.77219 534.5030       
130.0663 369.0440       107.3052 49.62390 6.243025 41.24390 6.197006 8.379997 
8.796491 
1 1 1 -17 -3  20 o 78.94479 3.268976  1344.338       107.4854 1278.171       
159.9936 1398.767       145.1089 77.03905 4.946668 80.85054 4.274961 -3.811493 
6.537952 
1 1 1 -17 -3  21 o 31.27214 5.713713  235.9093       76.37167 181.9348       
117.3381 275.5804       100.5962 27.98176 8.896073 34.56252 7.172584 -6.580763 
11.42743 
1 1 1 -17 -3  22 o 55.38444 4.027606  666.2575       92.99859 766.3267       
141.7246 590.5853       123.2432 58.97333 5.724147 51.79555 5.667502 7.177780 
8.055212 
1 1 1 -17 -3  23 o 64.43917 3.600150  924.5116       94.89285 845.3166       
147.9068 979.9136       123.7093 61.69435 5.710366 67.18400 4.385890 -5.489651 
7.200299 
1 1 1 -17 -3  24 o 27.59947 6.283721  186.1953       84.03544 232.9776       
121.3566 143.0962       116.4813 30.38130 8.929572 24.81764 8.843265 5.563652 
12.56744 
1 1 1 -17 -3  25 o 33.18471 5.985116  281.8877       84.73880 228.3614       
121.0059 333.3975       118.7047 29.71754 8.959454 36.65188 7.938175 -6.934343 
11.97023 
1 1 1 -17 -3  26 o 21.70930 5.769722  50.62046       85.64230 -103.0466      
118.4852 218.7385       123.9313 14.80986 7.034507 28.60874 9.147377 -13.79888 
11.53944 
1 1 1 -17 -3  27 o 20.26034 6.043911  67.33949       89.44099 26.97763       
131.9009 101.6954       121.6922 18.98470 8.394350 21.53597 8.697721 -2.551270 
12.08782 
1 1 1 -17 -3  28 o 26.22919 6.850885  212.3443       99.91271 205.1246       
143.7448 219.0924       138.9719 25.83275 9.734880 26.62564 9.642127 
-0.7928829     13.70177 
1 1 1 -17 -2  1  o 171.4011 5.278561  6165.962       366.9713 5994.256       
459.8674 6467.009       608.9134 168.3507 6.506371 174.4516 8.313841 -6.100906 
10.55712 
1 1 1 -17 -2  2  o 75.33694 3.918210  1254.336       117.5468 980.4950       
185.7713 1437.181       151.7993 68.07751 6.499740 82.59637 4.377539 -14.51885 
7.836420 
1 1 1 -17 -2  3  o 172.1444 4.454164  6229.762       294.0808 6366.187       
542.2733 6172.922       350.0221 173.2041 7.457292 171.0847 4.873100 2.119339 
8.908328 
1 1 1 -17 -2  4  o 145.5826 4.120120  4419.738       230.2172 4631.543       
426.5963 4332.707       273.4552 147.8084 6.874467 143.3567 4.543486 4.451675 
8.240240 
1 1 1 -17 -2  5  o 194.1175 5.894108  8041.679       413.0346 8016.572       
831.7503 8049.896       475.8528 193.1481 10.25707 195.0869 5.809861 -1.938721 
11.78822 
1 1 1 -17 -2  6  o 109.6385 3.771689  2546.295       166.4132 2520.864       
277.4283 2560.588       207.9858 109.1014 6.056774 110.1756 4.496447 -1.074135 
7.543377 
1 1 1 -17 -2  7  o 65.14935 3.466126  887.5793       88.83122 922.0456       
157.0833 871.3750       107.7074 66.00216 5.668824 64.29655 3.990057 1.705612 
6.932252 
1 1 1 -17 -2  8  o 129.9500 3.986214  3667.232       190.9398 3380.558       
365.5010 3774.833       223.9245 126.0895 6.904475 133.8105 3.985955 -7.721024 
7.972428 
1 1 1 -17 -2  9  o 97.49530 3.441351  1914.111       110.1034 2162.596       
261.0019 1860.320       121.4376 100.9740 6.156798 94.01656 3.076592 6.957481 
6.882702 
1 1 1 -17 -2  10 o 70.45688 3.397724  993.1924       86.22146 1157.992       
181.0437 944.8492       98.05563 73.93376 5.832592 66.97999 3.486973 6.953773 
6.795447 
1 1 1 -17 -2  11 o 95.19659 3.198914  1905.928       100.5581 1924.222       
230.1906 1901.613       111.7889 95.31608 5.752313 95.07711 2.800554 0.2389679 
6.397829 
1 1 1 -17 -2  12 o 28.70451 5.888454  153.8920       64.13705 236.2066       
141.5250 132.6172       71.94960 32.81754 9.642262 24.59148 6.761830 8.226057 
11.77691 
1 1 1 -17 -2  13 o 106.8466 3.825899  2420.190       166.5246 2409.476       
269.9902 2426.768       211.5577 106.5385 6.036185 107.1547 4.702605 
-0.6162338     7.651798 
1 1 1 -17 -2  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 -2  15 o 105.8618 3.406746  2367.154       150.3505 2450.181       
228.0924 2303.361       199.9347 107.4435 5.056522 104.2801 4.566756 3.163376 
6.813492 
1 1 1 -17 -2  16 f 108.2491 3.406321  2435.734       149.7875 2697.304       
250.2965 2289.791       186.9616 112.5459 5.297195 103.9523 4.283901 8.593666 
6.812642 
1 1 1 -17 -2  17 o 134.6704 3.506655  3863.967       198.1821 3804.915       
282.9514 3920.833       277.6670 133.6268 5.043586 135.7141 4.873270 -2.087280 
7.013310 
1 1 1 -17 -2  18 o 168.8101 4.142492  6124.268       293.5136 6109.591       
410.2925 6139.651       420.0616 168.6454 5.794823 168.9748 5.921232 
-0.3294373     8.284984 
1 1 1 -17 -2  19 o 64.43649 3.538467  885.3592       95.39732 941.4981       
142.2511 839.4758       128.6033 66.25448 5.114010 62.61850 4.891819 3.635975 
7.076934 
1 1 1 -17 -2  20 o 59.51560 3.565525  762.7888       88.75153 760.7485       
131.1998 764.5100       120.5079 59.37560 5.263156 59.65561 4.811555 
-0.2800102     7.131050 
1 1 1 -17 -2  21 o 59.01462 3.673114  762.1295       89.77697 702.3774       
135.1211 809.3549       120.1254 56.74376 5.671868 61.28548 4.668724 -4.541718 
7.346228 
1 1 1 -17 -2  22 o 140.1159 3.382700  4242.441       194.9379 4336.532       
309.4587 4180.542       250.9983 140.9605 5.229092 139.2713 4.292696 1.689209 
6.765400 
1 1 1 -17 -2  23 o 35.92448 5.568035  304.1136       81.11391 349.2063       
124.5160 270.8706       106.9109 38.17410 8.023437 33.67485 7.722468 4.499241 
11.13607 
1 1 1 -17 -2  24 o 20.94052 5.989038  58.09070       83.50425 118.9705       
122.8780 5.849744       113.8264 23.72665 8.983260 18.15439 7.923090 5.572264 
11.97808 
1 1 1 -17 -2  25 o 28.09204 6.013146  200.2816       79.72874 141.0398       
117.2293 251.2671       108.7540 24.50126 8.857471 31.68283 8.134920 -7.181566 
12.02629 
1 1 1 -17 -2  26 o 16.01395 5.255664  -92.51852      87.30198 11.43166       
126.7358 -186.3858      120.4325 18.74370 8.265687 13.28421 6.493568 5.459488 
10.51133 
1 1 1 -17 -2  27 o 38.44490 5.975006  391.7804       93.76353 370.7922       
137.0737 410.2368       128.5405 36.95786 8.922532 39.93194 7.949291 -2.974087 
11.95001 
1 1 1 -17 -2  28 o 54.62340 4.698230  722.2676       106.2775 905.2081       
164.0026 589.8293       139.5412 60.70761 6.434704 48.53919 6.847486 12.16843 
9.396461 
1 1 1 -17 -1  1  o 18.51484 5.993355  -102.8503      105.0601 -111.9771      
145.2455 -92.83509      152.1496 17.98235 8.283058 19.04732 8.664419 -1.064968 
11.98671 
1 1 1 -17 -1  2  f 26.75091 6.610240  132.6363       89.06136 154.9471       
147.2751 119.7734       111.8254 28.48951 9.964212 25.01231 8.688818 3.477200 
13.22048 
1 1 1 -17 -1  3  o 347.8124 9.810255  26133.48       1337.248 27063.91       
2371.465 25699.69       1619.240 350.0247 16.13760 345.6002 11.15985 4.424530 
19.62051 
1 1 1 -17 -1  4  o 208.3648 5.554066  9482.135       446.9799 8573.291       
787.2500 9914.495       542.9886 200.2269 9.365078 216.5027 5.973770 -16.27583 
11.10813 
1 1 1 -17 -1  5  o 42.12367 5.477694  372.0709       90.14969 456.3795       
153.1506 327.3705       111.5163 45.58079 8.311108 38.66656 7.137648 6.914230 
10.95539 
1 1 1 -17 -1  6  o 230.3345 6.048131  11421.17       548.0325 11082.63       
951.2220 11589.38       670.4956 227.0305 9.979730 233.6386 6.835534 -6.608093 
12.09626 
1 1 1 -17 -1  7  o 43.05827 4.708841  368.7769       81.21512 479.1122       
143.4616 316.7394       98.52266 47.45648 7.200476 38.66006 6.070083 8.796413 
9.417683 
1 1 1 -17 -1  8  o 165.5973 4.574733  5798.553       254.5948 5860.792       
568.8224 5782.961       284.7044 165.5931 8.181927 165.6015 4.094973 
-0.8422852E-02 9.149466 
1 1 1 -17 -1  9  o 130.8893 3.762105  3688.916       172.5709 3505.994       
358.7324 3743.992       196.8440 128.4555 6.651796 133.3230 3.516722 -4.867508 
7.524209 
1 1 1 -17 -1  10 o 131.1647 4.121702  3321.383       144.7233 4084.539       
447.4609 3232.224       152.9439 138.3869 7.701602 123.9424 2.939227 14.44449 
8.243404 
1 1 1 -17 -1  11 o 210.6490 4.349530  9071.534       230.2534 9842.738       
742.2512 8989.419       242.2016 214.5770 8.239272 206.7209 2.790703 7.856018 
8.699059 
1 1 1 -17 -1  12 o 127.1642 3.698084  3125.182       136.3098 3846.639       
384.2491 3021.321       145.7915 134.4989 6.804795 119.8296 2.897941 14.66938 
7.396168 
1 1 1 -17 -1  13 o 126.7899 3.357735  3358.279       146.9905 3467.702       
318.6587 3328.703       165.6687 127.8430 5.937037 125.7368 3.138334 2.106201 
6.715471 
1 1 1 -17 -1  14 o 128.3966 4.494100  3372.303       160.8467 3699.933       
461.3048 3326.959       171.6169 131.1368 8.378850 125.6564 3.253094 5.480400 
8.988200 
1 1 1 -17 -1  15 o 122.7541 5.001281  3196.630       257.7486 0.000000       
0.000000 3196.630       257.7486 ?        ?        122.7541 5.001281 ? ? 
1 1 1 -17 -1  16 o 103.0127 3.348881  2246.753       142.7373 2287.340       
222.3521 2218.304       186.1582 103.7085 5.106787 102.3168 4.333674 1.391739 
6.697761 
1 1 1 -17 -1  17 o 37.56507 5.626959  317.7629       85.77491 318.4022       
126.0802 317.2121       117.0325 37.52813 8.227053 37.60201 7.678951 
-0.7388306E-01 11.25392 
1 1 1 -17 -1  18 o 89.83349 3.211205  1713.816       120.5656 1756.325       
180.1478 1679.329       162.2623 90.78909 4.726246 88.87789 4.348556 1.911194 
6.422409 
1 1 1 -17 -1  19 o 90.12314 3.357661  1728.455       125.6498 1785.303       
193.7944 1687.224       165.0403 91.28880 5.056438 88.95748 4.419046 2.331314 
6.715321 
1 1 1 -17 -1  20 o 69.15180 3.527336  1030.840       102.0733 946.4463       
145.3520 1112.953       143.3751 66.27280 5.224042 72.03080 4.741072 -5.757996 
7.054671 
1 1 1 -17 -1  21 o 71.77559 3.186160  1114.541       94.86839 1053.126       
143.2674 1162.499       126.6013 69.85629 4.884983 73.69490 4.091870 -3.838615 
6.372320 
1 1 1 -17 -1  22 o 132.3816 3.770889  3756.779       200.2831 4060.162       
342.3167 3598.869       246.9659 135.6893 6.009018 129.0739 4.557424 6.615402 
7.541778 
1 1 1 -17 -1  23 o 63.17225 3.515851  867.1705       92.23019 903.6838       
142.3840 840.7746       121.0613 64.15023 5.286694 62.19427 4.636346 1.955963 
7.031702 
1 1 1 -17 -1  24 o 41.81238 5.192697  409.8509       88.96720 375.8241       
125.3524 444.3885       126.2901 39.54728 7.828283 44.07748 6.824544 -4.530201 
10.38539 
1 1 1 -17 -1  25 o 26.21482 6.034960  139.1966       90.17781 -9.570654      
125.1427 299.8868       130.0608 18.20358 8.097869 34.22607 8.950278 -16.02250 
12.06992 
1 1 1 -17 -1  26 o 35.33876 6.203505  324.0039       91.68474 333.1674       
132.1516 315.4998       127.3076 35.78347 8.837350 34.89405 8.708338 0.8894119 
12.40701 
1 1 1 -17 -1  27 o 53.43436 4.603731  677.7626       103.0401 665.9421       
149.7205 688.3993       142.0253 52.75123 6.760358 54.11749 6.250994 -1.366261 
9.207462 
1 1 1 -17 -1  28 o 38.37928 6.203096  413.0263       97.72959 386.7317       
143.2919 435.8959       133.6340 36.51633 9.315166 40.24223 8.193980 -3.725906 
12.40619 
1 1 1 -17 0   1  f 58.37023 5.100179  726.5290       122.9350 568.5132       
171.3318 894.2136       176.4958 51.73325 7.888407 65.00721 6.466866 -13.27396 
10.20036 
1 1 1 -17 0   2  o 101.2612 3.749322  2211.976       154.4135 1946.842       
242.2911 2393.315       200.3780 95.95852 6.014160 106.5640 4.478789 -10.60545 
7.498644 
1 1 1 -17 0   3  o 181.7444 5.474582  6927.643       361.4986 7207.180       
729.2385 6836.570       416.2419 183.5907 9.461062 179.8981 5.511124 3.692627 
10.94916 
1 1 1 -17 0   4  f 84.90089 3.705308  1568.208       126.5102 1340.883       
202.0855 1714.715       162.2333 79.60368 6.046766 90.19810 4.284141 -10.59443 
7.410616 
1 1 1 -17 0   5  o 30.48716 6.146844  161.4223       87.22102 349.0634       
146.8716 59.19473       108.4071 39.63607 9.025362 21.33824 8.347312 18.29783 
12.29369 
1 1 1 -17 0   6  o 73.50050 3.657523  1091.051       105.6268 1284.602       
192.1257 1007.206       126.4522 77.89514 5.874841 69.10586 4.358456 8.789284 
7.315046 
1 1 1 -17 0   7  f 49.90608 4.800058  562.0405       88.97823 468.8366       
155.0092 607.8427       108.6635 46.16462 8.299767 53.64754 4.824530 -7.482922 
9.600116 
1 1 1 -17 0   8  o 53.75796 4.030944  607.6440       83.10559 622.8279       
153.3508 601.3304       98.88545 54.13541 6.747232 53.38052 4.412358 0.7548904 
8.061889 
1 1 1 -17 0   9  o 128.4720 4.090853  3323.183       163.7174 3762.128       
414.5865 3242.087       178.2003 132.8673 7.432214 124.0767 3.420893 8.790634 
8.181706 
1 1 1 -17 0   10 o 72.08380 3.795999  1140.645       92.69662 1028.810       
199.0758 1171.605       104.7447 69.57232 6.815585 74.59528 3.344580 -5.022957 
7.591997 
1 1 1 -17 0   11 o 113.2285 3.374518  2699.029       125.3415 2722.069       
289.2785 2693.704       139.0744 113.3089 6.080977 113.1482 2.927660 0.1606750 
6.749035 
1 1 1 -17 0   12 o 37.87781 5.401882  366.4824       68.88245 216.5218       
147.2227 408.5109       77.93964 31.75094 9.946041 44.00467 4.218720 -12.25373 
10.80376 
1 1 1 -17 0   13 o 50.43341 3.806102  577.3594       72.28353 443.7467       
126.4689 642.1829       88.08983 45.67735 6.594838 55.18947 3.801812 -9.512123 
7.612205 
1 1 1 -17 0   14 o 28.18342 5.197096  177.9177       60.92258 161.7939       
100.6513 187.2406       76.53494 27.27421 8.160870 29.09263 6.437346 -1.818420 
10.39419 
1 1 1 -17 0   15 o 107.0115 2.542823  2378.348       104.9360 2514.152       
193.2785 2321.585       124.9566 109.0345 4.222216 104.9885 2.834904 4.046028 
5.085645 
1 1 1 -17 0   16 o 89.37469 3.489481  1686.594       128.7863 1753.506       
202.8845 1641.437       166.6714 90.76312 5.324276 87.98626 4.511983 2.776863 
6.978962 
1 1 1 -17 0   17 o 60.87536 5.233380  790.0386       133.7528 790.0386       
133.7528 0.000000       0.000000 60.87536 5.233380 ?        ?        ? ? 
1 1 1 -17 0   18 o 100.5849 3.179089  2163.269       133.5284 1985.084       
193.3725 2325.667       184.6076 96.52151 4.771904 104.6484 4.201827 -8.126839 
6.358177 
1 1 1 -17 0   19 o 62.49516 3.754241  833.8162       97.89500 972.4210       
143.5142 713.2021       133.8766 67.38757 5.072666 57.60275 5.535827 9.784821 
7.508483 
1 1 1 -17 0   20 o 69.46992 3.535522  1035.615       101.5974 1045.070       
157.9852 1028.947       132.6687 69.60449 5.406300 69.33535 4.557584 0.2691422 
7.071043 
1 1 1 -17 0   21 o 86.68353 3.153748  1621.794       114.0447 1509.950       
167.0844 1719.350       156.0477 83.74002 4.752521 89.62703 4.147052 -5.887009 
6.307495 
1 1 1 -17 0   22 o 44.32787 5.011308  444.8983       87.54537 448.7511       
143.9146 442.6350       110.3009 43.76862 8.136048 44.88713 5.852996 -1.118511 
10.02262 
1 1 1 -17 0   23 o 30.84572 6.072063  225.9778       81.20000 273.5013       
124.4377 190.7362       107.1582 33.47502 8.755024 28.21643 8.416018 5.258595 
12.14413 
1 1 1 -17 0   24 o 34.87603 6.107212  301.2975       89.29029 265.7255       
126.4474 336.6765       126.1043 32.60748 8.963233 37.14457 8.297746 -4.537086 
12.21442 
1 1 1 -17 0   25 o 32.88455 6.454051  276.3778       93.55582 220.5402       
130.0215 336.3234       134.7194 29.36245 9.367530 36.40665 8.880792 -7.044203 
12.90810 
1 1 1 -17 0   26 o 28.73555 6.273951  212.7719       95.44330 64.62821       
143.9313 329.0404       127.5101 21.63326 9.159370 35.83784 8.576467 -14.20457 
12.54790 
1 1 1 -17 0   27 o 37.58749 5.950770  373.0125       98.18613 205.0911       
137.7552 546.4118       139.9840 27.46320 9.633783 47.71177 6.988339 -20.24857 
11.90154 
1 1 1 -17 0   28 o 43.14135 5.841314  496.4176       101.8828 479.7211       
143.4047 513.4343       144.7730 42.25969 8.380658 44.02301 8.139311 -1.763321 
11.68263 
1 1 1 -17 0   29 o 43.22150 6.309410  545.0605       111.8431 421.4317       
165.9628 647.9196       151.3812 36.16031 10.38328 50.28269 7.170915 -14.12238 
12.61882 
1 1 1 -17 1   1  o 140.6480 4.495917  4193.972       239.5484 4169.561       
447.9008 4203.753       283.5016 140.1119 7.614264 141.1842 4.782892 -1.072327 
8.991834 
1 1 1 -17 1   2  o 36.99306 6.099743  271.1451       92.28965 454.5990       
156.8174 173.9375       114.1513 45.47868 8.527927 28.50745 8.723641 16.97123 
12.19949 
1 1 1 -17 1   3  o 33.02335 6.396697  233.6956       88.47755 267.3693       
148.2916 215.0821       110.2517 34.82556 9.756124 31.22115 8.275807 3.604412 
12.79339 
1 1 1 -17 1   4  o 126.0616 3.874291  3397.398       196.5729 3218.213       
323.7051 3502.077       247.4160 123.2678 6.254909 128.8554 4.573473 -5.587601 
7.748583 
1 1 1 -17 1   5  o 154.4349 3.745585  5041.396       231.0762 5037.162       
392.3869 5043.644       285.9123 154.2251 6.060112 154.6448 4.403710 
-0.4196930     7.491169 
1 1 1 -17 1   6  o 187.0972 4.999134  7529.185       358.4173 7221.105       
650.7390 7663.344       429.4237 183.8230 8.431951 190.3715 5.372856 -6.548508 
9.998268 
1 1 1 -17 1   7  o 84.79974 3.371637  1580.893       110.4628 1350.853       
191.4036 1695.776       135.2617 79.87395 5.707764 89.72552 3.590707 -9.851563 
6.743274 
1 1 1 -17 1   8  o 129.6474 3.991770  3569.458       183.9370 3539.586       
378.8749 3578.670       210.3948 128.9907 6.996140 130.3041 3.845901 -1.313354 
7.983541 
1 1 1 -17 1   9  o 74.51918 3.642789  1093.410       96.80475 1330.765       
208.0954 1027.859       109.3581 79.19653 6.258603 69.84184 3.729550 9.354691 
7.285579 
1 1 1 -17 1   10 o 198.5512 5.293162  8190.175       247.9209 8659.667       
850.5061 8146.577       259.1765 200.3648 10.11060 196.7376 3.137830 3.627213 
10.58632 
1 1 1 -17 1   11 o 43.14392 4.485603  341.5959       70.25028 507.9998       
152.2108 296.5555       79.18888 48.83010 7.424699 37.45775 5.035512 11.37235 
8.971206 
1 1 1 -17 1   12 o 157.3067 4.543698  5076.144       198.9115 5498.759       
570.2758 5017.606       212.2407 160.2405 8.476836 154.3730 3.274753 5.867493 
9.087396 
1 1 1 -17 1   13 o 133.0495 3.611593  3754.645       168.8632 3728.467       
353.6510 3762.376       192.1871 132.4601 6.359322 133.6389 3.425410 -1.178757 
7.223185 
1 1 1 -17 1   14 o 98.09119 2.732375  2033.906       106.0272 2019.869       
183.4304 2040.948       129.9323 97.75001 4.469670 98.43237 3.144128 
-0.6823578     5.464750 
1 1 1 -17 1   15 o 40.48720 4.286800  380.3484       65.34592 272.2760       
105.5146 447.5875       83.22739 34.97574 7.411716 45.99865 4.309652 -11.02291 
8.573601 
1 1 1 -17 1   16 o 95.55762 2.538788  1947.294       98.54775 1853.333       
158.9999 2005.904       125.5767 93.58687 4.046718 97.52838 3.066895 -3.941513 
5.077576 
1 1 1 -17 1   17 o 95.47913 3.358709  1949.305       133.3651 1844.076       
199.6092 2034.158       179.2437 93.04343 5.109941 97.91482 4.360301 -4.871384 
6.717419 
1 1 1 -17 1   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 1   19 o 37.09663 5.686730  313.3252       85.90368 322.4217       
126.2150 305.4749       117.2518 37.55269 8.230605 36.64058 7.849379 0.9121056 
11.37346 
1 1 1 -17 1   20 o 19.03029 5.634065  8.957643       80.15583 -77.78512      
123.1292 72.75431       105.5951 16.68358 7.660393 21.37700 8.263724 -4.693420 
11.26813 
1 1 1 -17 1   21 o 26.71316 5.514500  113.6485       81.60121 320.0416       
123.7402 -45.17970      108.5493 37.04741 8.174883 16.37891 7.403386 20.66850 
11.02900 
1 1 1 -17 1   22 o 20.76548 5.930281  55.52415       79.26889 79.15377       
120.5876 37.54386       105.1896 22.21347 8.771613 19.31749 7.983216 2.895981 
11.86056 
1 1 1 -17 1   23 o 26.98764 6.193313  166.9571       80.54366 212.1105       
121.7269 131.7929       107.4215 29.59349 8.998979 24.38178 8.511573 5.211710 
12.38663 
1 1 1 -17 1   24 o 35.18603 6.195730  308.6806       91.41679 276.5549       
134.5845 336.1997       124.5621 33.15387 9.296399 37.21819 8.193000 -4.064312 
12.39146 
1 1 1 -17 1   25 o 26.14339 6.290910  151.2350       89.55689 257.1515       
129.1992 53.27660       124.2508 31.69560 9.180967 20.59118 8.603025 11.10442 
12.58182 
1 1 1 -17 1   26 o 25.11599 6.015648  125.9646       93.11377 -57.01982      
138.0806 278.5709       126.0990 17.48963 8.063724 32.74234 8.929079 -15.25271 
12.03130 
1 1 1 -17 1   27 f 39.79990 6.132024  416.6947       102.2096 312.1284       
146.7371 515.2412       142.4507 33.48375 9.811892 46.11604 7.357558 -12.63230 
12.26405 
1 1 1 -17 1   28 o 22.26617 6.341987  99.67955       97.74896 -0.8021853     
141.3876 191.6808       135.2897 18.50028 8.398685 26.03206 9.505013 -7.531782 
12.68397 
1 1 1 -17 1   29 o 20.96927 6.135102  59.24592       96.79163 211.4779       
143.1189 -69.07435      131.3989 26.13027 9.739872 15.80827 7.462762 10.32200 
12.27020 
1 1 1 -17 2   1  o 100.1121 3.204816  2112.572       133.5146 2118.617       
202.8243 2107.949       177.3630 100.2092 4.820956 100.0150 4.223951 0.1942139 
6.409632 
1 1 1 -17 2   2  o 58.61728 3.728969  739.3984       88.47532 670.0989       
141.8876 783.4865       113.1722 56.27410 6.005607 60.96045 4.421938 -4.686352 
7.457939 
1 1 1 -17 2   3  o 58.43866 3.737786  679.4638       88.30110 883.8039       
152.1804 575.7484       108.4186 64.65294 5.606497 52.22438 4.944833 12.42855 
7.475573 
1 1 1 -17 2   4  o 33.78226 5.443953  262.2523       80.48948 121.8231       
120.6009 375.0438       108.0837 25.48415 9.006550 42.08038 6.117887 -16.59623 
10.88791 
1 1 1 -17 2   5  o 47.71255 4.212120  475.6342       83.23555 520.5005       
130.9670 445.2316       107.8092 49.55025 6.295602 45.87486 5.597606 3.675392 
8.424239 
1 1 1 -17 2   6  f 224.4267 5.052229  10694.77       450.1818 10773.10       
775.2594 10654.92       552.9619 224.5665 8.222865 224.2868 5.872357 0.2796936 
10.10446 
1 1 1 -17 2   7  o 63.79874 3.529159  855.5444       90.55671 876.3119       
152.4483 844.2210       112.5692 64.33426 5.644188 63.26323 4.238278 1.071026 
7.058318 
1 1 1 -17 2   8  o 37.83961 4.967843  312.7058       74.00420 301.6998       
122.6429 319.0077       92.80343 36.86900 8.141135 38.81023 5.695592 -1.941231 
9.935686 
1 1 1 -17 2   9  o 140.4737 3.332411  3931.282       142.8822 4520.522       
372.6936 3829.755       154.7028 146.0137 6.079659 134.9336 2.730858 11.08012 
6.664821 
1 1 1 -17 2   10 o 119.9589 3.184770  2839.174       110.4213 3319.097       
308.8635 2768.844       118.2355 125.1625 5.877781 114.7553 2.454122 10.40717 
6.369539 
1 1 1 -17 2   11 o 154.6518 3.891342  5054.354       162.2222 5071.714       
474.0151 5052.051       172.6472 154.3171 7.316431 154.9865 2.653302 
-0.6694641     7.782684 
1 1 1 -17 2   12 o 266.3549 7.556122  15131.60       488.8512 15666.25       
1605.476 15076.96       513.2212 265.5017 14.40315 267.2082 4.574840 -1.706482 
15.11224 
1 1 1 -17 2   13 o 120.8261 3.256436  3132.021       139.6191 2995.214       
285.6976 3174.945       160.0303 118.8519 5.725609 122.8003 3.104013 -3.948494 
6.512872 
1 1 1 -17 2   14 o 218.6913 2.974488  9936.433       223.2771 10394.44       
489.5705 9816.150       250.8885 221.4320 5.266182 215.9505 2.767244 5.481461 
5.948976 
1 1 1 -17 2   15 o 131.1324 2.690140  3534.997       134.0289 3859.133       
255.1022 3411.409       157.5217 135.0161 4.500386 127.2486 2.948550 7.767548 
5.380280 
1 1 1 -17 2   16 f 26.02284 4.787807  103.2794       62.33320 300.2969       
103.2581 -9.679094      78.18636 36.82315 6.933500 15.22253 6.604464 21.60062 
9.575613 
1 1 1 -17 2   17 o 97.14597 2.434821  1981.509       97.37871 2058.667       
154.9038 1931.093       125.2143 98.64133 3.740453 95.65060 3.118080 2.990730 
4.869642 
1 1 1 -17 2   18 o 111.4343 2.687919  2537.046       105.6399 2807.507       
225.9021 2461.346       119.5128 114.8292 4.685858 108.0394 2.634835 6.789795 
5.375837 
1 1 1 -17 2   19 o 35.32447 6.966944  295.6848       98.84838 246.4459       
204.0791 310.7774       112.9867 33.56830 11.73051 37.08065 7.519870 -3.512352 
13.93389 
1 1 1 -17 2   20 o 16.68089 5.321006  -51.21943      79.95464 -104.8778      
121.0969 -9.749930      106.4581 15.76113 7.375082 17.60065 7.672066 -1.839516 
10.64201 
1 1 1 -17 2   21 o 33.54719 5.979867  267.9827       84.72388 221.7272       
126.9845 305.0935       113.7417 30.74685 9.159687 36.34753 7.689954 -5.600685 
11.95973 
1 1 1 -17 2   22 o 27.97344 6.071894  172.1104       80.52221 258.3467       
122.4902 106.4837       106.8554 32.87852 8.726673 23.06836 8.444924 9.810163 
12.14379 
1 1 1 -17 2   23 o 61.17398 4.152661  835.9332       105.1939 699.4573       
150.9816 964.6838       146.6463 55.96424 6.425910 66.38373 5.261755 -10.41949 
8.305322 
1 1 1 -17 2   24 o 24.47138 6.389232  113.1749       93.26624 18.15257       
132.0064 207.8868       131.7906 19.89389 8.605673 29.04888 9.446243 -9.154984 
12.77846 
1 1 1 -17 2   25 o 75.89679 3.897433  1281.347       123.3201 1322.977       
186.7660 1249.167       164.2060 76.74670 5.796410 75.04687 5.211676 1.699837 
7.794866 
1 1 1 -17 2   26 o 21.32668 6.199542  60.58128       94.47271 -31.55911      
142.1690 133.4410       126.4222 18.47052 8.394926 24.18283 9.124829 -5.712307 
12.39908 
1 1 1 -17 2   27 o 97.31405 3.895972  2150.841       158.9348 2241.189       
232.6397 2071.765       217.6444 99.11413 5.590741 95.51397 5.427522 3.600159 
7.791943 
1 1 1 -17 2   28 o 31.67888 6.661641  286.9851       95.27836 269.0754       
134.5328 305.0078       134.9561 30.59323 9.492639 32.76454 9.348778 -2.171312 
13.32328 
1 1 1 -17 2   29 o 16.41534 5.434642  -57.40494      95.40755 2.716630       
132.4740 -122.1947      137.5208 17.77088 8.084051 15.05981 7.265635 2.711074 
10.86928 
1 1 1 -17 3   1  o 246.9059 7.420964  13231.68       711.6295 12834.71       
1263.368 13416.17       861.2592 242.9553 12.38582 250.8564 8.177671 -7.901169 
14.84193 
1 1 1 -17 3   2  o 65.85933 4.188709  915.6403       109.0324 925.4289       
189.7354 910.8140       133.2270 66.03020 6.844265 65.68847 4.830858 0.3417282 
8.377419 
1 1 1 -17 3   3  o 53.80864 4.971398  664.0665       100.6933 493.4278       
164.1505 767.0119       127.4991 47.35631 8.571002 60.26096 5.039555 -12.90466 
9.942796 
1 1 1 -17 3   4  o 27.65437 6.700058  140.4451       91.72064 201.1429       
151.1954 105.1008       115.3749 31.03477 10.11780 24.27396 8.785965 6.760818 
13.40012 
1 1 1 -17 3   5  o 173.0171 4.336279  6366.728       308.8211 6232.953       
484.3175 6458.385       400.8930 171.3080 6.734008 174.7262 5.465016 -3.418228 
8.672558 
1 1 1 -17 3   6  o 76.35416 3.330033  1262.097       103.9546 980.5825       
151.9822 1509.591       142.5031 68.08898 5.316638 84.61934 4.011213 -16.53036 
6.660065 
1 1 1 -17 3   7  o 49.18191 4.892465  557.0004       86.09129 443.3546       
156.7866 606.0565       103.0099 44.78572 8.647170 53.57811 4.579443 -8.792389 
9.784929 
1 1 1 -17 3   8  o 149.7455 4.459599  4698.584       226.2705 4861.382       
503.0301 4657.290       253.3479 150.8768 7.941318 148.6141 4.060489 2.262695 
8.919198 
1 1 1 -17 3   9  o 42.87341 4.891492  357.7708       72.85561 475.5968       
158.2633 326.0872       82.06860 46.46493 8.422786 39.28189 4.976291 7.183041 
9.782985 
1 1 1 -17 3   10 o 42.01936 5.190067  370.4050       71.79517 405.2024       
161.8813 361.8846       80.10423 42.63673 9.301040 41.40198 4.608456 1.234745 
10.38013 
1 1 1 -17 3   11 o 90.61179 2.947533  1740.100       95.99827 1715.435       
194.4110 1748.054       110.3960 90.07323 5.140985 91.15035 2.884802 -1.077126 
5.895066 
1 1 1 -17 3   12 o 38.08015 5.464180  294.4637       72.36516 356.7855       
157.7011 277.8405       81.44637 39.92852 9.526831 36.23179 5.354304 3.696728 
10.92836 
1 1 1 -17 3   13 o 173.8543 3.015357  6184.317       189.6106 6772.184       
390.2096 6002.607       216.9449 178.8562 5.196548 168.8523 3.060297 10.00389 
6.030715 
1 1 1 -17 3   14 f 94.32576 2.352875  1887.827       90.57949 1820.056       
144.9507 1931.247       116.0225 92.88038 3.717214 95.77114 2.885551 -2.890762 
4.705750 
1 1 1 -17 3   15 o 119.9826 2.804552  2896.925       124.5090 3353.227       
250.5085 2747.221       143.4871 125.7847 4.743685 114.1805 2.993242 11.60412 
5.609104 
1 1 1 -17 3   16 o 63.11141 2.918752  836.8821       74.10864 865.4058       
124.9397 821.3990       92.05035 63.86163 4.659952 62.36119 3.515865 1.500446 
5.837504 
1 1 1 -17 3   17 o 147.5322 2.319488  4541.236       133.0346 4744.805       
240.8335 4451.841       159.5934 149.7190 3.831433 145.3453 2.615381 4.373627 
4.638976 
1 1 1 -17 3   18 o 39.69134 4.070236  327.5284       64.30716 465.7240       
102.2982 237.2378       82.68793 46.68729 5.219039 32.69539 6.247313 13.99190 
8.140472 
1 1 1 -17 3   19 o 96.42030 2.574782  1968.621       101.5878 1983.898       
163.2590 1958.969       129.7717 96.61761 4.024779 96.22301 3.212345 0.3945999 
5.149564 
1 1 1 -17 3   20 o 65.48914 3.667873  897.4337       99.34715 1079.035       
157.9073 778.4565       127.8130 70.78431 5.313570 60.19396 5.057584 10.59035 
7.335746 
1 1 1 -17 3   21 o 66.13325 5.183125  945.2214       143.9098 945.2214       
143.9098 0.000000       0.000000 66.13325 5.183125 ?        ?        ? ? 
1 1 1 -17 3   22 o 43.53804 5.204720  434.3651       91.77750 358.1283       
129.7631 510.6721       129.8229 39.03065 8.181291 48.04543 6.436062 -9.014786 
10.40944 
1 1 1 -17 3   23 o 25.28161 6.561570  135.0011       91.06458 151.8887       
135.4041 121.0545       123.0500 26.28155 9.517549 24.28166 9.035103 1.999886 
13.12314 
1 1 1 -17 3   24 o 62.41020 4.208993  869.6738       110.0900 862.3206       
159.9699 876.2894       151.7376 62.03962 6.141725 62.78079 5.756884 
-0.7411728     8.417987 
1 1 1 -17 3   25 o 36.18605 6.247637  329.4402       94.13337 331.4977       
136.4152 327.5700       130.0614 36.18483 9.004730 36.18726 8.662951 
-0.2426147E-02 12.49527 
1 1 1 -17 3   26 o 21.17555 6.218436  46.78666       95.60947 -36.59214      
133.0529 135.8066       137.4802 17.78471 8.093379 24.56639 9.443146 -6.781679 
12.43687 
1 1 1 -17 3   27 o 53.90437 4.648957  682.7053       104.6032 765.7472       
148.9646 601.9283       146.9191 57.48022 6.172851 50.32851 6.953208 7.151711 
9.297914 
1 1 1 -17 3   28 f 37.85402 5.883713  385.6758       105.1996 130.6826       
145.5942 664.2342       152.1731 23.48840 9.502324 52.21964 6.941047 -28.73125 
11.76743 
1 1 1 -17 3   29 o 26.71788 6.576185  210.0739       98.50304 102.6841       
142.3405 308.7661       136.4546 21.49569 9.105243 31.94008 9.491015 -10.44439 
13.15237 
1 1 1 -17 4   1  o 77.46284 3.947230  1254.099       120.4605 1313.765       
212.7820 1225.957       146.1329 78.70322 6.439666 76.22246 4.566529 2.480766 
7.894460 
1 1 1 -17 4   2  o 286.2462 6.992507  17539.42       810.4955 17953.14       
1341.242 17301.44       1017.231 288.0003 11.09264 284.4922 8.516682 3.508148 
13.98501 
1 1 1 -17 4   3  o 86.47767 3.658437  1647.827       125.5805 1343.918       
203.1067 1835.913       159.7830 79.63564 6.074883 93.31969 4.078291 -13.68405 
7.316875 
1 1 1 -17 4   4  o 84.73219 3.878051  1499.444       133.2954 1594.151       
221.7907 1445.894       166.7751 86.72173 6.091671 82.74265 4.800903 3.979080 
7.756103 
1 1 1 -17 4   5  o 194.7018 5.173748  8075.162       411.9230 8059.714       
661.3926 8084.951       526.5056 194.2332 8.110674 195.1704 6.425547 
-0.9372101     10.34750 
1 1 1 -17 4   6  o 290.1942 6.612177  17999.72       756.5545 18398.44       
1324.242 17806.52       921.8030 291.4138 10.82376 288.9745 7.598006 2.439240 
13.22435 
1 1 1 -17 4   7  o 47.97017 5.056202  516.9119       85.95074 456.1855       
163.9876 539.9128       100.9240 45.38232 8.924870 50.55802 4.754725 -5.175694 
10.11240 
1 1 1 -17 4   8  o 31.34718 6.018476  212.0029       73.94479 218.2557       
147.2327 209.8937       85.51164 31.86265 9.939464 30.83171 6.789351 1.030947 
12.03695 
1 1 1 -17 4   9  o 169.9686 3.716687  6218.057       223.3863 5906.374       
458.4751 6315.086       255.8046 166.7793 6.547788 173.1578 3.518741 -6.378464 
7.433375 
1 1 1 -17 4   10 o 129.6400 3.919584  3437.084       130.3834 3712.613       
410.3931 3406.152       137.5077 132.0122 7.404693 127.2677 2.573533 4.744476 
7.839167 
1 1 1 -17 4   11 o 235.0716 6.405184  11521.34       382.7553 12305.02       
1208.219 11433.92       403.5398 237.3091 12.12697 232.8342 4.128201 4.474899 
12.81037 
1 1 1 -17 4   12 o 37.49637 5.699923  298.1548       74.22063 320.3256       
162.7910 292.3368       83.39231 37.83094 10.06912 37.16180 5.345033 0.6691475 
11.39985 
1 1 1 -17 4   13 o 59.46924 2.984292  721.6591       72.82752 866.5604       
119.4176 635.8538       91.89450 64.04406 4.441304 54.89441 3.987333 9.149647 
5.968585 
1 1 1 -17 4   14 o 193.0227 3.061774  7764.601       190.3130 8053.056       
452.8406 7702.725       209.7341 194.7356 5.538868 191.3098 2.611276 3.425797 
6.123547 
1 1 1 -17 4   15 o 90.59164 2.578491  1771.207       94.28058 1580.877       
151.4990 1891.508       120.4457 86.44973 4.174142 94.73355 3.028366 -8.283821 
5.156982 
1 1 1 -17 4   16 o 71.55953 2.684275  1076.917       78.78175 1110.326       
126.5055 1055.753       100.6901 72.40841 4.161418 70.71066 3.391744 1.697754 
5.368550 
1 1 1 -17 4   17 o 56.36396 3.143009  681.7857       72.53292 639.2043       
114.0560 710.7001       93.98649 54.79232 4.958150 57.93560 3.864034 -3.143276 
6.286017 
1 1 1 -17 4   18 o 91.28404 2.429458  1765.199       91.64658 1749.827       
142.4380 1776.058       119.7183 90.88026 3.733168 91.68782 3.110068 
-0.8075638     4.858916 
1 1 1 -17 4   19 o 49.73972 3.127974  524.0216       62.91259 539.1954       
104.6594 515.4365       78.72332 50.20333 4.965544 49.27611 3.805293 0.9272194 
6.255947 
1 1 1 -17 4   20 o 135.3446 2.497614  3907.323       137.3852 3817.520       
222.8998 3962.338       174.4642 133.8835 3.965552 136.8056 3.037550 -2.922134 
4.995229 
1 1 1 -17 4   21 o 37.46768 5.772614  321.9207       90.90350 430.7357       
131.9383 223.5874       125.4229 44.07467 7.130221 30.86068 9.080323 13.21399 
11.54523 
1 1 1 -17 4   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 4   23 o 101.2120 3.701476  2240.489       156.8961 2244.180       
230.0303 2237.278       214.5473 101.1453 5.417020 101.2787 5.045751 
-0.1334229     7.402953 
1 1 1 -17 4   24 o 28.59624 6.736250  198.4974       94.38809 213.4701       
141.0844 186.3661       126.9944 29.40954 9.773643 27.78294 9.272765 1.626600 
13.47250 
1 1 1 -17 4   25 o 73.86673 3.789762  1213.435       117.4275 1160.882       
166.2775 1265.724       165.8584 72.17089 5.487728 75.56257 5.228196 -3.391678 
7.579525 
1 1 1 -17 4   26 o 77.67199 3.838796  1355.424       124.9926 1328.702       
180.4900 1380.050       173.2639 76.77473 5.599585 78.56924 5.252626 -1.794510 
7.677593 
1 1 1 -17 4   27 o 50.17656 5.535673  614.3134       109.7174 427.6907       
148.3581 839.5938       163.0011 40.42211 8.978114 59.93102 6.478285 -19.50891 
11.07135 
1 1 1 -17 4   28 o 24.03060 6.517835  141.6829       95.05682 84.17574       
135.5325 197.3573       133.3553 21.37820 8.961565 26.68299 9.466734 -5.304785 
13.03567 
1 1 1 -17 4   29 o 25.26802 6.682833  188.1917       95.79569 205.4441       
136.6992 171.5435       134.2842 26.11751 9.552622 24.41853 9.348178 1.698973 
13.36567 
1 1 1 -17 5   1  o 51.58287 5.190681  609.8553       100.9285 464.5828       
165.7604 695.4441       127.2324 45.82017 8.935592 57.34558 5.284681 -11.52541 
10.38136 
1 1 1 -17 5   2  o 103.8224 4.010441  2260.301       163.7855 2344.896       
289.4864 2220.472       198.6346 105.0877 6.561415 102.5571 4.613284 2.530525 
8.020883 
1 1 1 -17 5   3  o 32.21359 6.640694  222.3503       92.97497 251.3475       
152.2894 205.1201       117.3919 33.87001 10.01843 30.55717 8.719309 3.312840 
13.28139 
1 1 1 -17 5   4  o 109.2734 3.327755  2539.483       150.0703 2418.276       
231.6446 2627.147       197.0019 106.9444 5.159235 111.6024 4.204535 -4.657990 
6.655510 
1 1 1 -17 5   5  o 90.26311 3.620623  1713.663       129.5696 1749.861       
224.6715 1695.624       158.6014 90.86937 5.889136 89.65685 4.213516 1.212517 
7.241246 
1 1 1 -17 5   6  o 150.3347 3.631362  4660.616       195.1416 5006.087       
406.6601 4557.267       222.4234 153.5894 6.306545 147.0801 3.602033 6.509293 
7.262723 
1 1 1 -17 5   7  o 108.2545 3.839375  2466.777       147.1034 2504.068       
306.6743 2455.633       167.6492 108.5522 6.729142 107.9568 3.698899 0.5954056 
7.678751 
1 1 1 -17 5   8  o 178.4586 4.260425  6829.054       269.0094 6603.439       
553.9664 6898.674       307.7285 176.0336 7.495642 180.8835 4.052189 -4.849915 
8.520849 
1 1 1 -17 5   9  o 143.7632 4.234153  4461.952       184.4229 4261.986       
463.3683 4499.590       201.0314 141.3309 7.809267 146.1956 3.275297 -4.864716 
8.468307 
1 1 1 -17 5   10 o 152.4753 4.070915  4525.759       182.7486 5507.676       
504.1429 4377.215       196.0851 160.7552 7.469812 144.1953 3.239026 16.55991 
8.141829 
1 1 1 -17 5   11 o 130.7817 4.027779  3472.723       153.8894 3838.859       
418.9918 3415.630       165.4532 134.1779 7.437816 127.3854 3.093688 6.792526 
8.055558 
1 1 1 -17 5   12 o 140.6542 3.491047  4045.066       152.6246 4394.311       
383.9565 3979.525       166.3302 143.7966 6.359964 137.5118 2.881059 6.284729 
6.982094 
1 1 1 -17 5   13 o 69.55513 2.864147  989.3444       79.84352 1127.276       
138.5074 920.6983       97.71240 73.02448 4.517787 66.08577 3.521785 6.938713 
5.728295 
1 1 1 -17 5   14 o 116.1833 2.619990  2712.683       116.8264 3186.415       
221.9170 2531.056       137.4087 122.7541 4.306017 109.6125 2.985899 13.14159 
5.239979 
1 1 1 -17 5   15 o 100.7354 2.204788  2143.118       88.78914 2128.377       
150.3384 2151.014       110.0281 100.3998 3.566631 101.0710 2.592973 
-0.6712189     4.409576 
1 1 1 -17 5   16 o 79.68184 2.624581  1294.101       84.94247 1532.138       
143.4567 1165.590       105.4066 85.07139 4.016598 74.29229 3.379443 10.77910 
5.249161 
1 1 1 -17 5   17 o 77.00425 2.523466  1247.470       79.61510 1284.607       
128.1781 1224.143       101.5877 77.87241 3.920588 76.13609 3.178128 1.736328 
5.046931 
1 1 1 -17 5   18 f 63.10746 2.749942  841.7465       72.28680 867.0319       
109.9953 822.5242       95.90502 63.90298 4.099909 62.31194 3.665989 1.591049 
5.499885 
1 1 1 -17 5   19 o 49.30045 3.184088  495.8260       63.28527 599.6313       
109.2175 443.3559       77.64938 52.94066 4.913875 45.66022 4.050616 7.280437 
6.368176 
1 1 1 -17 5   20 f 120.6426 2.438513  2978.146       113.9039 3378.658       
211.4159 2814.342       135.2047 125.9203 3.999105 115.3648 2.791512 10.55550 
4.877026 
1 1 1 -17 5   21 o 49.74039 4.609134  544.3038       96.11404 540.9121       
139.3698 547.3798       132.7250 49.52761 6.702587 49.95316 6.328648 
-0.4255486     9.218267 
1 1 1 -17 5   22 o 46.20208 4.812292  471.2472       92.92035 522.8347       
139.6667 430.2803       124.4621 48.42562 6.869718 43.97855 6.740890 4.447071 
9.624583 
1 1 1 -17 5   23 o 67.65129 5.116970  999.5769       145.3342 0.000000       
0.000000 999.5769       145.3342 ?        ?        67.65129 5.116970 ? ? 
1 1 1 -17 5   24 o 22.64927 6.409086  77.50116       93.89056 137.4589       
138.5378 26.56754       127.6875 25.33872 9.554688 19.95981 8.544792 5.378904 
12.81817 
1 1 1 -17 5   25 o 35.02522 6.355023  314.9482       95.89572 237.0157       
139.1804 385.3809       132.3140 30.39495 9.691337 39.65548 8.223337 -9.260525 
12.71005 
1 1 1 -17 5   26 o 25.59471 6.648273  157.2103       93.71529 164.7432       
134.9166 150.1871       130.2723 26.01147 9.492444 25.17796 9.310833 0.8335133 
13.29655 
1 1 1 -17 5   27 o 18.77058 5.815926  -1.578394      91.60418 78.77557       
128.2639 -85.23224      130.8711 21.39395 8.826280 16.14721 7.576065 5.246744 
11.63185 
1 1 1 -17 5   28 o 32.05800 6.523370  289.2682       99.94673 168.3593       
142.4171 406.6071       140.2988 25.22014 9.635217 38.89587 8.796593 -13.67573 
13.04674 
1 1 1 -17 5   29 o 33.79418 6.208433  326.3093       102.3305 133.4983       
140.5579 543.7596       149.2689 22.76029 9.289302 44.82807 8.239383 -22.06777 
12.41687 
1 1 1 -17 6   1  o 117.1608 3.424798  2904.209       164.9927 2879.039       
260.4925 2921.073       213.2144 116.6590 5.318606 117.6626 4.316177 -1.003510 
6.849595 
1 1 1 -17 6   2  o 138.1755 4.502851  4038.667       240.6599 4088.379       
436.0337 4016.890       288.5989 138.4901 7.499328 137.8609 4.986259 0.6292419 
9.005703 
1 1 1 -17 6   3  o 46.00222 5.594858  479.8443       99.03279 394.5172       
163.4490 529.3382       124.4842 42.03002 9.487207 49.97442 5.933179 -7.944405 
11.18972 
1 1 1 -17 6   4  o 46.27849 5.103453  450.0249       97.02558 484.5463       
156.4074 428.4303       123.7044 47.64534 7.819124 44.91164 6.560657 2.733696 
10.20691 
1 1 1 -17 6   5  o 81.72270 4.022569  1381.933       127.3075 1498.478       
233.9868 1332.925       151.7312 83.98463 6.636096 79.46077 4.548238 4.523857 
8.045138 
1 1 1 -17 6   6  o 106.1929 3.727315  2406.676       149.9815 2334.169       
278.5628 2436.275       177.9811 104.8816 6.326231 107.5042 3.943388 -2.622643 
7.454630 
1 1 1 -17 6   7  o 25.80202 6.439765  107.5028       80.71497 185.2525       
151.3807 76.61894       95.40839 30.14509 10.12400 21.45894 7.961593 8.686153 
12.87953 
1 1 1 -17 6   8  o 121.4093 3.135519  2982.062       125.0892 3320.904       
295.1085 2907.848       138.1102 125.2467 5.612242 117.5718 2.797974 7.674904 
6.271038 
1 1 1 -17 6   9  o 174.1509 5.090637  6412.546       282.8966 6524.495       
676.5071 6388.821       311.4340 174.2768 9.245999 174.0249 4.262609 0.2518616 
10.18127 
1 1 1 -17 6   10 o 93.09770 3.259394  1698.185       103.7797 2064.157       
236.6582 1611.052       115.4749 98.71145 5.710514 87.48396 3.143985 11.22749 
6.518788 
1 1 1 -17 6   11 o 43.86495 5.120376  409.6709       76.07648 431.5319       
162.5412 403.5386       86.08810 44.02741 9.102645 43.70250 4.691999 0.3249130 
10.24075 
1 1 1 -17 6   12 o 119.0476 4.057905  2880.409       126.5076 3172.746       
390.6550 2846.160       133.7129 121.7955 7.639823 116.2998 2.738517 5.495659 
8.115810 
1 1 1 -17 6   13 o 119.2087 2.453451  3017.861       116.8693 2924.807       
196.8132 3068.544       145.2502 117.6955 3.983048 120.7219 2.865837 -3.026474 
4.906903 
1 1 1 -17 6   14 o 60.78631 2.956581  793.6500       71.78397 739.7530       
119.6444 823.9636       89.72808 59.07494 4.824031 62.49767 3.419681 -3.422733 
5.913163 
1 1 1 -17 6   15 o 104.9021 2.307622  2245.823       96.02390 2552.084       
170.2416 2102.925       116.2877 109.9003 3.689671 99.90383 2.772507 9.996506 
4.615243 
1 1 1 -17 6   16 o 111.0120 2.437710  2583.169       111.3078 2704.722       
177.8502 2504.900       142.7129 113.0769 3.746291 108.9472 3.120099 4.129723 
4.875420 
1 1 1 -17 6   17 o 102.3992 2.201415  2219.000       92.13073 2193.240       
147.8574 2235.348       117.7934 101.8412 3.458123 102.9571 2.725122 -1.115837 
4.402829 
1 1 1 -17 6   18 o 153.7721 2.508885  5016.765       155.4957 4974.719       
258.3840 5040.638       194.6990 153.0741 4.020544 154.4701 3.002206 -1.395920 
5.017770 
1 1 1 -17 6   19 o 43.66293 3.451525  413.3335       62.39891 359.4498       
91.88016 459.4609       85.01044 40.90263 5.350465 46.42321 4.361723 -5.520580 
6.903051 
1 1 1 -17 6   20 o 47.22375 4.601655  486.9557       91.13393 496.4405       
132.4808 478.4355       125.5630 47.62575 6.625705 46.82176 6.387560 0.8039894 
9.203309 
1 1 1 -17 6   21 f 57.04796 4.134967  710.6035       98.85641 661.2484       
139.4841 760.4141       140.1262 54.98289 6.042523 59.11303 5.646213 -4.130138 
8.269934 
1 1 1 -17 6   22 f 73.06839 3.711641  1165.159       113.2287 1023.898       
159.5110 1308.633       160.7554 68.43789 5.551559 77.69890 4.928012 -9.261009 
7.423282 
1 1 1 -17 6   23 o 70.58614 3.311602  1091.999       97.01167 990.6031       
143.9324 1176.408       131.3234 67.34200 5.090889 73.83029 4.236707 -6.488297 
6.623205 
1 1 1 -17 6   24 o 36.78189 6.211446  329.5937       96.59100 450.6923       
143.0756 228.1801       130.9314 43.30458 8.168344 30.25919 9.359831 13.04539 
12.42289 
1 1 1 -17 6   25 o 48.13059 7.312991  540.1057       147.7730 540.1057       
147.7730 0.000000       0.000000 48.13059 7.312991 ?        ?        ? ? 
1 1 1 -17 6   26 f 41.82244 5.765931  432.1291       97.49001 476.4132       
142.2783 392.9358       133.8507 44.00615 7.996058 39.63873 8.309447 4.367428 
11.53186 
1 1 1 -17 6   27 o 26.41111 6.269641  156.4759       94.15308 17.68132       
131.2175 303.7706       135.1758 19.17916 8.437337 33.64305 9.276041 -14.46389 
12.53928 
1 1 1 -17 6   28 o 24.15881 6.639060  145.0833       97.65488 108.7370       
138.7125 180.7998       137.5051 22.49424 9.212281 25.82338 9.562550 -3.329145 
13.27812 
1 1 1 -17 6   29 o 19.24828 5.892751  18.66927       95.78749 -113.8104      
136.8900 145.7691       134.0816 15.25542 7.332659 23.24113 9.226601 -7.985712 
11.78550 
1 1 1 -17 7   1  o 87.13490 3.500215  1558.987       120.0475 1734.321       
215.2508 1479.830       144.6292 90.50063 5.665188 83.76916 4.112378 6.731476 
7.000429 
1 1 1 -17 7   2  o 82.79314 3.529922  1450.783       120.9478 1435.892       
186.9950 1461.493       158.5864 82.37914 5.406719 83.20714 4.539691 
-0.8279953     7.059844 
1 1 1 -17 7   3  o 148.6383 5.182280  4600.169       293.3821 4957.697       
553.8982 4460.753       345.8859 152.1355 8.672022 145.1410 5.676279 6.994522 
10.36456 
1 1 1 -17 7   4  o 47.12716 5.113768  461.7566       97.93687 516.2077       
163.7499 431.4312       122.2026 49.17288 7.931888 45.08145 6.456596 4.091431 
10.22754 
1 1 1 -17 7   5  o 69.67131 3.619128  1053.302       102.9317 869.4970       
155.8748 1195.427       137.0669 64.06972 5.794875 75.27290 4.337255 -11.20319 
7.238256 
1 1 1 -17 7   6  f 125.0748 4.548507  3290.324       208.9380 3383.288       
413.5997 3258.472       242.1009 125.9198 7.823609 124.2298 4.641855 1.690002 
9.097014 
1 1 1 -17 7   7  o 181.0125 5.359590  6883.420       329.1086 7159.627       
730.6840 6813.125       368.6165 182.4486 9.539159 179.5763 4.889301 2.872299 
10.71918 
1 1 1 -17 7   8  o 95.65022 2.982562  1930.250       99.01571 1929.184       
211.4824 1930.549       112.0565 95.50271 5.274479 95.79772 2.786139 
-0.2950134     5.965123 
1 1 1 -17 7   9  o 69.14653 3.686095  1049.974       94.27560 927.8447       
177.4167 1098.028       111.2877 66.10551 6.392604 72.18754 3.672029 -6.082024 
7.372190 
1 1 1 -17 7   10 f 30.00842 5.985448  210.6750       73.29681 124.9642       
157.3416 234.4304       82.83377 27.31245 10.20604 32.70440 6.256122 -5.391949 
11.97090 
1 1 1 -17 7   11 o 173.9719 4.854732  6041.746       187.2112 6945.099       
701.6996 5972.517       194.2523 179.4666 9.312978 168.4771 2.746290 10.98952 
9.709463 
1 1 1 -17 7   12 o 86.11942 3.085542  1423.366       83.36548 1792.904       
214.4608 1357.588       90.48135 91.92103 5.557177 80.31782 2.683294 11.60321 
6.171084 
1 1 1 -17 7   13 o 73.31216 2.407229  1127.573       72.51443 1161.498       
115.8170 1105.699       92.99908 74.18211 3.718725 72.44221 3.057793 1.739891 
4.814459 
1 1 1 -17 7   14 o 134.1501 2.472483  3773.871       129.1482 3864.686       
232.0346 3733.110       155.4527 135.1767 4.088576 133.1235 2.781409 2.053207 
4.944966 
1 1 1 -17 7   15 o 89.08052 2.595399  1672.094       93.70747 1696.910       
154.6095 1657.685       117.8125 89.52344 4.113586 88.63761 3.165879 0.8858261 
5.190798 
1 1 1 -17 7   16 o 62.53703 2.903513  790.3717       74.09677 1000.186       
123.9624 673.7340       92.42536 68.66573 4.300025 56.40832 3.902735 12.25740 
5.807026 
1 1 1 -17 7   17 o 125.6038 2.187994  3357.509       109.4869 3250.018       
185.4508 3415.021       135.6507 123.9233 3.564485 127.2844 2.538446 -3.361046 
4.375987 
1 1 1 -17 7   18 o 89.51334 2.313030  1710.319       84.75814 1623.362       
133.8852 1768.477       109.4928 87.51353 3.644001 91.51315 2.849857 -3.999626 
4.626059 
1 1 1 -17 7   19 o 25.51025 6.143794  128.5063       82.17868 63.33976       
113.7320 199.6997       118.8749 21.43301 8.501149 29.58750 8.872163 -8.154491 
12.28759 
1 1 1 -17 7   20 o 66.28355 3.680882  947.0023       102.3960 964.0914       
147.2011 930.9800       142.5314 66.84930 5.244875 65.71780 5.165931 1.131500 
7.361763 
1 1 1 -17 7   21 o 126.6913 3.426424  3456.811       182.0202 3587.128       
265.6569 3341.498       249.8963 128.8924 4.909248 124.4902 4.781297 4.402199 
6.852847 
1 1 1 -17 7   22 o 52.72821 4.371319  612.9761       96.47269 681.7014       
139.7527 550.4141       133.3391 55.62849 5.983898 49.82792 6.373908 5.800568 
8.742639 
1 1 1 -17 7   23 o 53.24057 4.086409  624.1281       91.11784 686.2285       
133.4982 569.9658       124.6741 55.74425 5.704220 50.73689 5.852932 5.007366 
8.172817 
1 1 1 -17 7   24 o 33.87645 6.022088  276.3608       86.57726 365.1739       
130.4104 206.3691       115.7703 38.77935 8.256129 28.97355 8.769179 9.805792 
12.04418 
1 1 1 -17 7   25 o 61.01160 4.415138  832.1982       110.5528 1099.760       
166.5183 621.3102       147.8347 70.06452 5.660891 51.95868 6.777027 18.10584 
8.830276 
1 1 1 -17 7   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 7   27 o 53.31335 5.562176  710.1168       114.3802 459.1253       
159.2448 977.6031       164.3942 41.52689 9.358004 65.09981 6.014894 -23.57292 
11.12435 
1 1 1 -17 7   28 o 19.60122 6.063198  35.72364       95.41149 63.95451       
136.2175 8.533702       133.6826 20.61027 8.824499 18.59216 8.317313 2.018105 
12.12640 
1 1 1 -17 7   29 o 46.17999 5.570915  564.7946       105.1960 538.1632       
152.2981 589.0934       145.4756 44.25387 8.500455 48.10609 7.202961 -3.852222 
11.14183 
1 1 1 -17 8   1  o 127.4111 4.057953  3361.694       197.0892 3620.754       
371.7817 3260.433       232.4378 130.5266 6.784379 124.2956 4.454226 6.231026 
8.115906 
1 1 1 -17 8   2  o 105.6079 3.568130  2348.926       152.0167 2387.442       
253.6861 2327.347       189.8842 106.1832 5.690653 105.0326 4.306118 1.150589 
7.136259 
1 1 1 -17 8   3  o 37.54852 5.582029  307.7061       84.60316 348.1107       
129.5926 277.6949       111.6879 39.68658 8.058338 35.41046 7.726538 4.276123 
11.16406 
1 1 1 -17 8   4  o 150.5679 4.531597  4918.756       260.8918 4545.255       
470.7361 5084.342       313.4326 145.9902 7.680243 155.1456 4.812000 -9.155472 
9.063193 
1 1 1 -17 8   5  o 183.9158 5.828691  7090.602       357.8991 7467.251       
813.5684 7000.220       398.5334 185.8886 10.42467 181.9430 5.217356 3.945618 
11.65738 
1 1 1 -17 8   6  o 116.9467 4.201437  2969.751       189.0609 2715.202       
336.4935 3087.177       228.5456 112.9566 7.095548 120.9367 4.501277 -7.980087 
8.402874 
1 1 1 -17 8   7  o 32.82717 6.374912  203.1037       85.95219 350.7890       
159.8773 143.0659       101.9368 39.59286 9.684793 26.06148 8.292335 13.53137 
12.74982 
1 1 1 -17 8   8  o 90.02232 3.054363  1715.885       101.1431 1698.266       
198.0366 1722.102       117.6437 89.59346 5.264902 90.45117 3.097957 
-0.8577118     6.108726 
1 1 1 -17 8   9  o 59.90315 4.338888  857.3741       92.36304 567.8026       
168.2475 982.2870       110.5031 51.55007 7.773927 68.25623 3.856143 -16.70617 
8.677775 
1 1 1 -17 8   10 o 126.0663 3.887103  3320.650       138.5456 3432.199       
385.7220 3304.127       148.4524 126.8292 7.243965 125.3033 2.821926 1.525871 
7.774207 
1 1 1 -17 8   11 o 95.58649 3.418548  1832.685       99.02352 2083.005       
259.7398 1790.115       107.1132 98.94907 6.252417 92.22390 2.766435 6.725166 
6.837096 
1 1 1 -17 8   12 o 168.5283 5.131579  5758.407       196.4568 6483.640       
711.9843 5698.640       204.3917 172.5699 9.827123 164.4866 2.959740 8.083267 
10.26316 
1 1 1 -17 8   13 o 142.8588 2.739691  4203.750       142.7001 4531.742       
289.0882 4098.083       164.0841 146.2314 4.708808 139.4863 2.801921 6.745056 
5.479383 
1 1 1 -17 8   14 o 58.98220 3.204994  735.6395       76.16253 744.4708       
127.3074 730.7169       95.04817 59.17609 5.124229 58.78830 3.851004 0.3877945 
6.409988 
1 1 1 -17 8   15 o 79.79156 2.766027  1295.110       88.56689 1524.781       
154.0137 1181.634       108.2576 84.79737 4.326116 74.78576 3.447948 10.01161 
5.532054 
1 1 1 -17 8   16 o 109.7950 2.558552  2534.567       113.1503 2606.892       
190.0200 2494.834       140.8426 110.8838 4.081805 108.7061 3.086037 2.177711 
5.117105 
1 1 1 -17 8   17 o 62.43726 2.640416  838.1755       67.89451 751.7733       
103.3786 903.7101       90.03342 59.49944 4.138462 65.37508 3.280293 -5.875637 
5.280832 
1 1 1 -17 8   18 o 27.94003 6.275842  173.0051       82.55802 165.7914       
114.3899 180.8478       119.2725 27.41921 8.790336 28.46085 8.959619 -1.041641 
12.55168 
1 1 1 -17 8   19 f 78.95621 3.475098  1325.266       113.5770 1407.382       
178.1581 1269.042       147.4174 80.88030 5.246672 77.03210 4.558251 3.848198 
6.950195 
1 1 1 -17 8   20 o 43.87884 5.208117  431.6277       93.04395 508.4318       
135.4173 362.9438       128.0588 48.08322 6.708136 39.67446 7.968616 8.408756 
10.41623 
1 1 1 -17 8   21 o 104.9104 3.051883  2370.392       133.9838 2197.428       
191.8803 2534.969       187.1709 101.0489 4.522929 108.7719 4.098668 -7.722954 
6.103767 
1 1 1 -17 8   22 o 70.99100 3.745371  1097.846       110.9424 1122.175       
167.0620 1078.653       148.3857 71.55317 5.561219 70.42883 5.018372 1.124344 
7.490741 
1 1 1 -17 8   23 o 34.01465 5.680565  262.2366       79.97127 384.9047       
127.9994 183.6946       102.4220 40.31364 7.842570 27.71567 8.220059 12.59797 
11.36113 
1 1 1 -17 8   24 o 58.95900 4.011293  751.3358       97.81989 924.5546       
154.9742 636.6172       126.1184 64.40877 5.731066 53.50923 5.613981 10.89954 
8.022587 
1 1 1 -17 8   25 o 73.71107 3.391900  1201.336       104.3455 1064.210       
148.2351 1336.016       146.9075 69.30341 5.094688 78.11874 4.479297 -8.815338 
6.783800 
1 1 1 -17 8   26 o 42.48724 4.938564  395.8050       82.79239 549.3398       
145.3573 322.0763       100.7284 48.22301 7.179658 36.75148 6.783079 11.47153 
9.877128 
1 1 1 -17 8   27 o 53.65943 6.849003  683.2694       154.2952 0.000000       
0.000000 683.2694       154.2952 ?        ?        53.65943 6.849003 ? ? 
1 1 1 -17 8   28 o 25.33144 6.828891  173.1951       100.9776 170.3083       
144.5528 175.9462       141.1170 25.19372 9.683325 25.46916 9.631626 
-0.2754440     13.65778 
1 1 1 -17 8   29 o 19.90337 6.004227  67.22315       91.86925 -4.032445      
143.2959 116.9508       119.7080 18.12743 8.298444 21.67932 8.679793 -3.551893 
12.00845 
1 1 1 -17 9   1  o 153.5934 4.928572  5037.565       297.6603 4962.564       
519.4667 5074.229       363.2008 152.3765 8.120089 154.8102 5.588151 -2.433746 
9.857143 
1 1 1 -17 9   2  o 27.30091 6.765851  119.4863       97.15648 228.5597       
156.6067 51.23979       123.8771 32.62873 10.26553 21.97308 8.816225 10.65565 
13.53170 
1 1 1 -17 9   3  o 99.31684 3.816189  2108.741       150.2079 2020.469       
256.3938 2154.870       185.3456 97.58152 6.258367 101.0522 4.368757 -3.470642 
7.632378 
1 1 1 -17 9   4  o 47.99831 5.202746  505.5625       95.74920 475.5024       
163.7101 521.1914       118.0447 46.38919 8.726362 49.60744 5.667882 -3.218250 
10.40549 
1 1 1 -17 9   5  o 121.1336 3.598092  3049.575       159.9637 3212.449       
319.0495 2994.884       184.8801 123.0507 6.175827 119.2165 3.693811 3.834137 
7.196185 
1 1 1 -17 9   6  o 122.2039 3.365244  3027.587       151.4658 3423.340       
305.4156 2898.503       174.4274 127.1107 5.723085 117.2971 3.542000 9.813644 
6.730488 
1 1 1 -17 9   7  o 244.6327 5.298756  12459.87       416.8227 13259.01       
997.5932 12290.85       458.7900 248.0154 9.580669 241.2500 4.529681 6.765411 
10.59751 
1 1 1 -17 9   8  o 82.01353 3.165891  1357.047       93.13192 1544.433       
195.7140 1302.194       105.8892 85.38862 5.459374 78.63844 3.207287 6.750183 
6.331781 
1 1 1 -17 9   9  f 95.50882 3.151425  1860.465       110.8509 2067.100       
222.6760 1792.386       127.8137 98.77526 5.369655 92.24238 3.300411 6.532883 
6.302849 
1 1 1 -17 9   10 o 132.6538 3.664145  3469.356       131.3332 4080.699       
397.6029 3394.486       139.1430 138.2953 6.847992 127.0123 2.609377 11.28304 
7.328291 
1 1 1 -17 9   11 o 150.7241 3.411689  4763.185       144.4078 4877.117       
404.3503 4746.528       154.6035 151.2508 6.367681 150.1973 2.451761 1.053452 
6.823378 
1 1 1 -17 9   12 o 79.66251 2.783752  1371.820       80.63662 1278.513       
158.1204 1404.616       93.74255 77.65453 4.850006 81.67049 2.733963 -4.015968 
5.567505 
1 1 1 -17 9   13 o 55.56917 2.984329  644.6160       68.23869 698.1700       
109.5978 610.7112       87.20401 57.39029 4.548672 53.74806 3.864513 3.642227 
5.968658 
1 1 1 -17 9   14 o 114.6049 2.610073  2799.827       123.0544 2654.117       
191.5784 2902.165       160.5537 111.9562 4.075861 117.2536 3.261484 -5.297379 
5.220146 
1 1 1 -17 9   15 o 51.40218 3.596804  581.8197       73.74772 494.3227       
119.5667 635.5453       93.69233 48.04237 5.927981 54.76198 4.075172 -6.719604 
7.193607 
1 1 1 -17 9   16 o 79.11203 2.745211  1340.319       88.29642 1268.258       
141.8717 1385.879       112.8065 77.25637 4.374037 80.96769 3.318512 -3.711319 
5.490421 
1 1 1 -17 9   17 o 57.05222 3.200335  693.3300       76.61378 695.0013       
110.2465 691.7690       106.5448 57.10527 4.598429 56.99915 4.452305 0.1061211 
6.400670 
1 1 1 -17 9   18 o 94.57638 3.070005  1914.481       121.1135 1829.868       
179.3665 1985.387       164.1977 92.55338 4.616046 96.59937 4.048685 -4.045990 
6.140011 
1 1 1 -17 9   19 o 66.02368 3.862752  956.5533       105.1948 801.4716       
154.2870 1091.273       143.8017 60.73174 6.051107 71.31562 4.802865 -10.58389 
7.725504 
1 1 1 -17 9   20 o 78.70633 3.029177  1323.347       99.72867 1173.523       
137.4637 1489.833       144.9057 73.96246 4.426879 83.45020 4.135988 -9.487740 
6.058354 
1 1 1 -17 9   21 o 35.96408 5.823560  301.3928       92.16120 454.3210       
132.9772 160.0403       127.8454 45.11071 7.021319 26.81746 9.292820 18.29325 
11.64712 
1 1 1 -17 9   22 o 35.64991 6.217767  307.8692       94.57790 218.7274       
132.1120 401.5829       135.4575 30.07860 9.421727 41.22121 8.116254 -11.14261 
12.43553 
1 1 1 -17 9   23 o 48.73325 4.465072  538.2731       89.82678 488.5451       
135.5606 577.1996       119.9377 46.36925 6.963452 51.09726 5.590868 -4.728004 
8.930143 
1 1 1 -17 9   24 o 56.42077 3.909913  691.4692       91.18830 802.6744       
145.3020 619.2118       117.1252 59.93377 5.774589 52.90777 5.272930 7.026001 
7.819825 
1 1 1 -17 9   25 o 36.58062 5.969276  341.5342       90.76666 262.0026       
133.4634 409.9731       123.8067 31.81499 9.368690 41.34624 7.399776 -9.531250 
11.93855 
1 1 1 -17 9   26 o 26.36486 6.387691  170.3337       84.91567 217.5470       
130.5337 135.6952       111.8072 28.79557 9.401091 23.93414 8.650428 4.861435 
12.77538 
1 1 1 -17 9   27 o 34.12636 6.052451  296.5377       86.11739 373.8691       
134.3365 242.5865       112.2061 37.83418 8.642998 30.41855 8.475095 7.415628 
12.10490 
1 1 1 -17 9   28 o 24.51932 7.086716  153.4069       119.0800 35.97695       
225.0546 199.0659       140.3336 22.54213 10.35297 26.49651 9.679992 -3.954382 
14.17343 
1 1 1 -17 9   29 o 18.74384 5.820459  31.69864       92.76316 -59.61780      
143.5860 97.11517       121.5294 16.71574 7.864714 20.77193 8.582380 -4.056189 
11.64092 
1 1 1 -17 10  1  o 39.28486 6.529447  317.1968       104.2505 480.1269       
174.9230 227.4471       129.8263 46.46345 9.295587 32.10626 9.172065 14.35719 
13.05889 
1 1 1 -17 10  2  o 115.1246 4.472330  2844.045       210.0068 2684.865       
334.3400 2947.772       269.8922 112.2634 7.093672 117.9858 5.448556 -5.722404 
8.944660 
1 1 1 -17 10  3  f 76.21746 4.257749  1251.899       133.3190 1121.771       
204.4780 1348.120       175.8311 72.62072 6.706673 79.81420 5.247307 -7.193481 
8.515497 
1 1 1 -17 10  4  o 25.25132 6.676180  102.4450       90.29321 121.4703       
159.5961 93.48839       109.5035 27.24802 10.25968 23.25462 8.545430 3.993401 
13.35236 
1 1 1 -17 10  5  o 117.5678 4.332174  3002.995       187.1957 2789.997       
360.5058 3081.627       219.0404 114.3143 7.511603 120.8213 4.318189 -6.506981 
8.664349 
1 1 1 -17 10  6  o 163.0607 4.906986  5792.947       306.6386 5340.362       
550.3953 5996.651       369.2533 157.8172 8.306947 168.3043 5.225770 -10.48711 
9.813972 
1 1 1 -17 10  7  o 147.5999 4.592686  4529.651       215.4657 4800.628       
523.1400 4474.292       236.4526 149.5564 8.331705 145.6433 3.867006 3.913177 
9.185371 
1 1 1 -17 10  8  o 118.6353 3.708717  2854.125       138.1794 3179.915       
345.0687 2791.906       150.7977 122.1365 6.729475 115.1342 3.119691 7.002296 
7.417433 
1 1 1 -17 10  9  o 106.8392 3.415401  2304.157       122.2485 2607.320       
281.9958 2233.998       135.6586 110.7030 6.067425 102.9755 3.137867 7.727501 
6.830802 
1 1 1 -17 10  10 o 40.39480 4.872159  308.8795       70.48859 455.5925       
149.1321 266.6739       79.98745 45.34929 8.127252 35.44032 5.375828 9.908974 
9.744319 
1 1 1 -17 10  11 o 96.70737 3.267512  1981.601       105.8440 1980.707       
236.9779 1981.823       118.2994 96.42668 5.853716 96.98805 2.905262 
-0.5613708     6.535024 
1 1 1 -17 10  12 o 43.15798 5.077024  415.1090       77.91334 391.1474       
151.4929 423.7264       90.84956 41.63552 8.924615 44.68044 4.843133 -3.044922 
10.15405 
1 1 1 -17 10  13 o 69.88812 3.008548  1030.321       85.25832 1052.806       
140.7268 1017.282       107.1644 70.40578 4.760906 69.37045 3.679569 1.035332 
6.017097 
1 1 1 -17 10  14 o 32.37427 5.135856  219.6916       66.99737 315.3319       
110.9249 164.7641       84.06270 37.61021 7.284981 27.13833 7.241346 10.47188 
10.27171 
1 1 1 -17 10  15 o 102.2047 2.175873  2230.846       89.84613 2109.442       
146.6079 2303.865       113.6987 99.86531 3.496744 104.5442 2.590458 -4.678864 
4.351746 
1 1 1 -17 10  16 o 33.08350 5.691447  235.4132       77.02793 321.4286       
126.4217 184.6271       97.14163 37.58075 8.237842 28.58626 7.855459 8.994490 
11.38289 
1 1 1 -17 10  17 o 29.47062 5.900380  176.0107       89.90736 14.39094       
126.0040 343.6371       128.3242 20.12665 8.548046 38.81459 8.135653 -18.68795 
11.80076 
1 1 1 -17 10  18 o 94.18443 3.041849  1900.221       119.5842 1671.516       
169.3534 2127.656       168.8829 88.41449 4.562380 99.95437 4.024435 -11.53988 
6.083699 
1 1 1 -17 10  19 o 89.08147 3.258558  1707.625       121.2440 1640.213       
178.5525 1765.303       165.1595 87.33358 4.869739 90.82937 4.331102 -3.495789 
6.517117 
1 1 1 -17 10  20 o 96.22490 2.949360  1987.116       118.3585 1953.912       
176.9999 2013.973       159.1826 95.37659 4.420306 97.07321 3.905866 -1.696617 
5.898720 
1 1 1 -17 10  21 f 28.09320 6.591972  181.4234       92.25449 137.0302       
131.2391 224.7879       129.7095 25.57378 9.359297 30.61262 9.285469 -5.038834 
13.18394 
1 1 1 -17 10  22 o 52.72117 4.492440  620.9402       98.45676 730.4760       
141.4404 517.9685       137.1370 57.47134 5.861966 47.97100 6.809215 9.500340 
8.984879 
1 1 1 -17 10  23 o 61.85738 3.946227  840.6788       102.0666 929.8613       
152.8020 768.8298       137.1510 64.77393 5.618880 58.94084 5.542473 5.833096 
7.892453 
1 1 1 -17 10  24 o 35.25530 6.096720  306.9812       89.37241 347.5356       
133.0927 273.6769       120.6105 37.38883 8.644794 33.12177 8.599275 4.267059 
12.19344 
1 1 1 -17 10  25 o 39.23793 5.753290  378.4736       91.63658 435.2678       
134.3833 329.1118       125.2822 42.23224 7.872379 36.24362 8.392080 5.988621 
11.50658 
1 1 1 -17 10  26 o 40.37460 5.077313  392.0767       83.08688 481.8065       
119.8403 309.0221       115.2965 45.68188 6.248561 35.06732 8.004493 10.61456 
10.15463 
1 1 1 -17 10  27 o 47.65031 4.388922  519.5828       86.35387 667.3962       
131.7200 408.1683       114.3578 53.75499 5.836519 41.54564 6.556340 12.20935 
8.777844 
1 1 1 -17 10  28 o 23.50052 6.044779  103.8739       81.32267 269.1148       
135.9715 11.84753       101.4717 30.26863 9.571669 16.73241 7.385160 13.53622 
12.08956 
1 1 1 -17 10  29 o 33.17030 6.605933  327.3040       101.7428 206.3311       
138.3534 469.7670       150.1402 25.97545 9.597372 40.36514 9.079860 -14.38970 
13.21187 
1 1 1 -17 11  1  o 63.72347 4.536748  848.8610       117.2311 923.7578       
196.0930 807.2041       146.2428 65.77180 7.101392 61.67513 5.647880 4.096672 
9.073496 
1 1 1 -17 11  2  o 109.8694 4.568888  2606.635       206.3728 2357.450       
316.7737 2790.385       272.0219 105.0616 7.181683 114.6772 5.649990 -9.615646 
9.137776 
1 1 1 -17 11  3  o 62.05090 4.351627  816.0405       111.2884 831.9067       
175.6292 805.3959       143.8549 62.48137 6.695257 61.62043 5.560591 0.8609352 
8.703255 
1 1 1 -17 11  4  o 156.0045 4.207479  5014.145       232.5062 5466.611       
492.1948 4884.175       263.7944 159.9154 7.331079 152.0936 4.131196 7.821808 
8.414957 
1 1 1 -17 11  5  o 51.54857 4.542937  549.9174       96.81476 663.8226       
154.1410 475.7050       124.4184 55.81537 6.577870 47.28176 6.267754 8.533607 
9.085874 
1 1 1 -17 11  6  o 18.20670 5.855713  -73.40943      91.92762 -61.73075      
161.3549 -79.02184      111.8563 20.46633 9.147182 15.94707 7.313452 4.519268 
11.71143 
1 1 1 -17 11  7  o 166.1046 5.359704  5753.181       273.3833 6162.456       
693.1574 5677.789       297.4993 168.3220 9.808711 163.8873 4.323763 4.434784 
10.71941 
1 1 1 -17 11  8  o 149.5625 4.579037  4572.752       216.5078 5087.015       
535.0922 4472.078       236.7535 153.5970 8.297875 145.5280 3.874992 8.068970 
9.158073 
1 1 1 -17 11  9  f 72.23904 3.773699  1157.421       98.32517 1010.958       
191.4282 1209.910       114.5973 68.76518 6.630683 75.71290 3.605170 -6.947716 
7.547397 
1 1 1 -17 11  10 o 46.58624 4.157878  420.4488       72.69402 560.2383       
146.6305 374.8948       83.70473 51.12523 6.831408 42.04725 4.741693 9.077976 
8.315756 
1 1 1 -17 11  11 o 56.98486 4.273468  642.9309       85.38215 789.5138       
188.1316 604.9068       95.81852 60.52547 7.403629 53.44424 4.270411 7.081230 
8.546937 
1 1 1 -17 11  12 o 94.56401 3.431890  1977.327       123.5449 1709.311       
220.2059 2100.444       149.2472 89.43102 5.864916 99.69701 3.565703 -10.26599 
6.863780 
1 1 1 -17 11  13 o 114.3885 2.682573  2752.947       123.5297 2825.804       
207.6087 2713.014       153.6980 115.4263 4.284124 113.3508 3.229718 2.075447 
5.365146 
1 1 1 -17 11  14 o 98.28735 2.514920  2046.355       98.54376 2035.063       
167.8338 2052.296       121.7375 97.95989 4.080864 98.61481 2.940378 
-0.6549225     5.029839 
1 1 1 -17 11  15 o 34.07737 5.325331  295.3983       79.17505 95.51254       
128.8273 416.7233       100.3674 24.03475 9.169326 44.11998 5.418491 -20.08522 
10.65066 
1 1 1 -17 11  16 o 26.89759 6.021156  149.0061       79.65511 80.41331       
108.0746 230.5810       117.8590 22.07234 8.404865 31.72285 8.624125 -9.650507 
12.04231 
1 1 1 -17 11  17 o 89.39320 3.541666  1710.920       132.8193 1626.875       
184.2001 1801.942       191.6935 87.09892 5.037305 91.68750 4.979874 -4.588585 
7.083332 
1 1 1 -17 11  18 o 72.22772 3.378401  1121.858       102.1908 1169.578       
141.7493 1070.217       147.4589 73.89758 4.568901 70.55788 4.977904 3.339699 
6.756803 
1 1 1 -17 11  19 f 94.69951 3.405201  1927.352       134.0677 1958.995       
204.9642 1903.689       177.2431 95.21812 5.127192 94.18089 4.482575 1.037224 
6.810402 
1 1 1 -17 11  20 o 75.71442 3.208701  1234.770       101.9957 1230.185       
143.8148 1239.411       144.6763 75.57521 4.532579 75.85364 4.542993 
-0.2784271     6.417403 
1 1 1 -17 11  21 o 53.69254 4.508492  640.3106       100.0022 793.1769       
145.4104 503.1276       137.7493 60.04327 5.768356 47.34181 6.930516 12.70146 
9.016983 
1 1 1 -17 11  22 o 27.72019 6.379723  171.2321       86.94910 258.1046       
133.7975 107.7248       114.3981 32.28347 9.340218 23.15691 8.692744 9.126556 
12.75945 
1 1 1 -17 11  23 o 40.18184 5.259203  380.2395       85.73284 280.7642       
118.7340 488.5966       123.9214 33.81926 8.391710 46.54442 6.341613 -12.72516 
10.51841 
1 1 1 -17 11  24 o 33.59592 6.019012  274.7988       84.38062 337.2682       
131.7802 231.3876       109.8543 36.69614 8.679017 30.49569 8.341983 6.200453 
12.03802 
1 1 1 -17 11  25 o 58.60648 4.304255  774.9497       105.2204 863.0944       
160.3562 708.3042       139.4356 61.39602 6.221094 55.81693 5.950161 5.579082 
8.608509 
1 1 1 -17 11  26 o 17.02592 5.486810  -34.69083      86.56004 -33.08849      
129.9447 -35.96899      116.0578 17.52790 7.982336 16.52393 7.530115 1.003973 
10.97362 
1 1 1 -17 11  27 o 31.82970 6.307812  270.3740       86.32071 301.4819       
136.9510 249.8691       111.1881 32.92667 9.424814 30.73274 8.386111 2.193933 
12.61562 
1 1 1 -17 11  28 o 65.71338 3.742856  961.5333       101.0910 1261.852       
163.0210 773.8967       128.8579 73.73744 5.265946 57.68932 5.320308 16.04812 
7.485711 
1 1 1 -17 11  29 f 33.73029 5.838918  323.6635       81.48686 289.3036       
131.0332 345.3313       104.0550 30.90055 9.324725 36.56003 7.030032 -5.659481 
11.67784 
1 1 1 -17 12  1  o 81.58038 3.861254  1396.229       129.3274 1498.491       
208.7472 1332.527       164.7558 83.88573 5.927256 79.27504 4.950228 4.610687 
7.722507 
1 1 1 -17 12  2  o 51.48904 5.035716  552.2970       107.2657 668.2943       
170.1707 475.8217       138.1725 55.83091 7.259909 47.14718 6.980506 8.683731 
10.07143 
1 1 1 -17 12  3  o 44.18256 5.981141  450.8052       103.8152 349.8496       
167.2744 514.0528       132.3996 39.28591 10.09002 49.07920 6.425547 -9.793297 
11.96228 
1 1 1 -17 12  4  o 45.97697 5.460454  409.8891       97.73466 680.0574       
173.4651 284.2362       118.2990 56.30713 7.337865 35.64680 8.088385 20.66032 
10.92091 
1 1 1 -17 12  5  o 193.9435 6.398635  8097.092       457.1530 8297.521       
896.5913 8026.678       531.4211 194.0369 11.00604 193.8500 6.529714 0.1869812 
12.79727 
1 1 1 -17 12  6  o 104.8688 3.691450  2174.752       139.1380 2653.537       
295.6426 2038.533       157.6936 111.4957 6.315823 98.24199 3.823298 13.25370 
7.382901 
1 1 1 -17 12  7  o 14.85576 4.901823  -77.64886      63.98969 -62.46093      
127.5091 -82.76152      73.98009 17.76950 8.028366 11.94203 5.626439 5.827476 
9.803646 
1 1 1 -17 12  8  o 58.54729 4.089264  623.4476       88.59145 976.1511       
187.0265 521.4157       100.5927 67.52086 6.597603 49.57372 4.833213 17.94714 
8.178528 
1 1 1 -17 12  9  o 105.4376 3.999450  2240.923       129.1179 2564.609       
334.3282 2184.182       139.9781 109.1345 7.296792 101.7406 3.277079 7.393921 
7.998901 
1 1 1 -17 12  10 o 55.44653 3.648779  597.4901       75.22617 780.0434       
153.5863 539.8727       86.28474 60.39363 6.057345 50.49943 4.069758 9.894203 
7.297559 
1 1 1 -17 12  11 o 42.30332 5.513131  379.5426       78.74195 423.6964       
172.9945 368.0043       88.43392 43.02655 9.793639 41.58009 5.065875 1.446457 
11.02626 
1 1 1 -17 12  12 f 80.69527 3.059249  1361.200       94.52274 1432.139       
175.9615 1332.427       112.0643 81.97950 5.112502 79.41103 3.361302 2.568466 
6.118499 
1 1 1 -17 12  13 o 54.49206 3.174037  584.7849       69.38203 799.4064       
122.3171 482.9718       84.24660 61.28023 4.754314 47.70389 4.206488 13.57634 
6.348074 
1 1 1 -17 12  14 o 33.69519 5.430857  233.3985       91.03219 15.95727       
124.5841 482.4749       133.3393 20.16652 8.529121 47.22386 6.725394 -27.05734 
10.86171 
1 1 1 -17 12  15 o 27.83196 6.149908  171.7929       79.48376 165.0621       
108.1984 179.6832       117.1483 27.27783 8.522902 28.38609 8.868237 -1.108255 
12.29982 
1 1 1 -17 12  16 o 91.40733 3.393011  1786.072       130.1564 1839.582       
187.3488 1736.152       180.9556 92.72455 4.812571 90.09010 4.784273 2.634445 
6.786023 
1 1 1 -17 12  17 o 20.26068 5.881757  41.79477       79.05625 27.99383       
126.0467 50.74427       101.5026 20.56035 8.631574 19.96101 7.992259 0.5993385 
11.76351 
1 1 1 -17 12  18 o 88.46288 3.421954  1685.879       126.8290 1644.720       
183.9400 1723.183       175.1121 87.35238 5.015596 89.57336 4.656487 -2.220985 
6.843908 
1 1 1 -17 12  19 o 94.26567 3.266210  1901.812       127.1221 1976.574       
200.2455 1851.342       164.5272 95.61135 4.988551 92.91998 4.217448 2.691368 
6.532420 
1 1 1 -17 12  20 o 73.70409 3.338204  1170.840       103.0981 1082.353       
141.3493 1271.429       150.7054 70.72066 4.760676 76.68753 4.680853 -5.966873 
6.676408 
1 1 1 -17 12  21 o 38.62189 5.367281  345.6903       85.15099 426.4138       
123.7270 273.0515       117.3679 43.55879 6.765651 33.68500 8.334074 9.873795 
10.73456 
1 1 1 -17 12  22 o 28.92406 5.758102  163.6293       94.04279 389.7242       
134.6744 -51.53923      131.3799 40.22406 8.258538 17.62407 8.026176 22.59999 
11.51620 
1 1 1 -17 12  23 o 29.41993 6.518847  213.3482       93.34724 137.2054       
132.1031 289.2836       131.9230 24.97915 9.348243 33.86071 9.088006 -8.881559 
13.03769 
1 1 1 -17 12  24 o 19.59410 5.804884  42.87535       80.27419 26.16137       
109.5345 62.26800       117.9857 18.56898 7.930593 20.61923 8.478941 -2.050245 
11.60977 
1 1 1 -17 12  25 o 55.56540 4.194689  700.2037       97.45448 792.9800       
143.0055 619.7586       133.1632 59.10839 5.762681 52.02242 6.096981 7.085976 
8.389378 
1 1 1 -17 12  26 o 50.03516 4.756477  588.7384       99.34155 613.3680       
149.6636 569.3406       132.8201 50.71130 7.029633 49.35901 6.409413 1.352283 
9.512955 
1 1 1 -17 12  27 o 22.28566 6.238130  112.7499       85.96163 111.7143       
135.0549 113.4552       111.4530 22.52707 9.136066 22.04425 8.496432 0.4828148 
12.47626 
1 1 1 -17 12  28 o 24.07955 6.312682  141.4194       86.82540 253.2953       
137.9587 68.04222       111.7278 28.81740 9.664769 19.34170 8.123549 9.475693 
12.62536 
1 1 1 -17 13  1  o 64.96974 4.256360  915.7012       110.8675 852.5412       
183.0026 952.3238       139.3512 62.98921 6.920095 66.95028 4.957690 -3.961067 
8.512720 
1 1 1 -17 13  2  o 28.35818 7.051599  160.7700       102.8177 135.2053       
168.1119 176.0472       129.9573 27.98624 10.53138 28.73012 9.380309 
-0.7438793     14.10320 
1 1 1 -17 13  3  o 82.03587 3.429837  1375.789       112.2948 1598.232       
197.2320 1269.094       136.5962 86.64579 5.421893 77.42594 4.202167 9.219849 
6.859674 
1 1 1 -17 13  4  o 121.5351 4.545957  3221.644       208.2341 3022.857       
385.8805 3303.315       247.3382 118.2939 7.769834 124.7763 4.721502 -6.482437 
9.091914 
1 1 1 -17 13  5  o 130.9256 3.850909  3514.227       187.6136 3948.119       
371.3479 3365.518       217.3999 135.7475 6.515839 126.1037 4.106319 9.643806 
7.701818 
1 1 1 -17 13  6  o 115.0555 3.681510  2625.558       141.0468 3140.059       
331.7886 2512.068       155.8285 121.0306 6.529610 109.0803 3.402683 11.95031 
7.363020 
1 1 1 -17 13  7  o 141.0362 4.540524  4089.618       208.3191 4546.237       
495.9332 3991.787       229.5530 144.7276 8.161930 137.3448 3.980996 7.382767 
9.081048 
1 1 1 -17 13  8  o 50.54209 4.086931  547.6044       77.69783 541.2422       
146.5287 550.0930       91.64240 50.13969 6.960846 50.94449 4.284699 
-0.8048019     8.173862 
1 1 1 -17 13  9  o 130.1024 4.677268  3595.456       190.8457 3703.919       
466.6268 3573.668       209.1371 130.2520 8.533088 129.9529 3.833242 0.2991943 
9.354535 
1 1 1 -17 13  10 o 110.4684 3.400830  2486.434       122.1353 2772.582       
291.7204 2425.615       134.4899 113.7160 6.110355 107.2207 2.987666 6.495232 
6.801661 
1 1 1 -17 13  11 o 49.86006 4.554160  526.0162       81.15878 552.4349       
167.6977 517.9361       92.74327 50.34698 7.933680 49.37313 4.474173 0.9738503 
9.108320 
1 1 1 -17 13  12 o 91.88679 3.073821  1710.851       101.6201 1958.373       
212.6623 1637.608       115.6821 95.72703 5.291479 88.04655 3.129498 7.680481 
6.147643 
1 1 1 -17 13  13 o 119.0897 3.566623  3029.945       178.1218 3034.172       
246.2475 3025.305       257.9654 119.2272 4.919460 118.9522 5.165474 0.2750931 
7.133247 
1 1 1 -17 13  14 o 63.91504 3.921199  877.4413       105.1744 912.0892       
149.5197 843.5079       147.9704 65.18520 5.463496 62.64488 5.626137 2.540321 
7.842398 
1 1 1 -17 13  15 o 68.08958 3.793688  996.3746       108.0384 1113.347       
155.0850 886.0811       150.5927 72.04077 5.127580 64.13839 5.592512 7.902382 
7.587375 
1 1 1 -17 13  16 o 33.37545 5.806224  256.9910       80.79709 243.4305       
110.7229 272.4367       118.1689 32.45242 8.134878 34.29848 8.286901 -1.846062 
11.61245 
1 1 1 -17 13  17 f 51.88317 4.423973  586.0591       96.16704 621.3575       
141.6605 555.8876       130.9693 53.30283 6.330232 50.46350 6.181773 2.839325 
8.847946 
1 1 1 -17 13  18 o 62.58168 3.774374  855.3951       98.41703 762.6650       
142.1325 940.8077       136.4093 59.14917 5.723555 66.01418 4.921842 -6.865013 
7.548748 
1 1 1 -17 13  19 o 68.23232 3.309370  1009.664       94.34528 939.8445       
136.9162 1072.789       130.1868 65.86293 4.951477 70.60169 4.392106 -4.738762 
6.618740 
1 1 1 -17 13  20 o 60.46984 4.095037  810.4635       103.1039 706.5079       
147.3372 910.2205       144.3311 56.42744 6.219322 64.51225 5.328917 -8.084805 
8.190075 
1 1 1 -17 13  21 o 66.47623 4.068309  977.8662       113.5132 998.0276       
162.8202 958.7997       158.3374 67.12832 5.777282 65.82413 5.729535 1.304192 
8.136618 
1 1 1 -17 13  22 o 48.56309 5.325742  562.5533       102.5246 424.8326       
147.3000 691.9667       142.7884 41.60027 8.714148 55.52591 6.125174 -13.92563 
10.65148 
1 1 1 -17 13  23 o 63.70317 3.827516  904.6872       102.1054 838.7969       
144.9398 969.6030       143.8639 61.24350 5.637009 66.16284 5.179154 -4.919342 
7.655032 
1 1 1 -17 13  24 o 22.16484 5.406209  70.64923       77.34774 -92.60579      
111.9086 219.9724       107.0271 14.75455 6.942328 29.57513 8.289297 -14.82059 
10.81242 
1 1 1 -17 13  25 o 45.29286 4.442670  472.1950       83.83929 553.0865       
122.3854 400.6668       115.0845 49.16139 5.929613 41.42434 6.617322 7.737057 
8.885340 
1 1 1 -17 13  26 o 32.56926 5.368802  267.0453       79.09922 131.1214       
109.9709 412.7442       113.8566 23.27993 8.562783 41.85859 6.478803 -18.57865 
10.73760 
1 1 1 -17 13  27 o 21.74298 6.171634  106.5042       85.27589 99.95504       
133.6654 110.9996       110.7404 21.77610 8.999195 21.70987 8.448122 
0.6622505E-01  12.34327 
1 1 1 -17 13  28 o 17.93704 5.496218  25.40472       80.61382 -52.92515      
117.0653 96.04781       111.1730 15.39145 7.211353 20.48264 8.296388 -5.091185 
10.99244 
1 1 1 -17 14  1  o 41.71144 5.904819  369.7372       100.5959 516.9810       
159.7980 273.0811       129.4696 48.78195 7.802491 34.64093 8.865025 14.14102 
11.80964 
1 1 1 -17 14  2  o 30.94043 5.200876  188.2614       99.54579 -218.6046      
160.8825 440.6609       126.7148 16.62818 7.981978 45.25268 6.669667 -28.62450 
10.40175 
1 1 1 -17 14  3  o 75.98369 3.417762  1223.247       105.0278 1244.882       
174.2209 1210.896       131.6369 76.38028 5.433003 75.58710 4.148117 0.7931824 
6.835525 
1 1 1 -17 14  4  o 28.06301 6.662592  149.0766       87.56931 224.9891       
157.5291 115.1275       105.3461 32.00318 10.32114 24.12285 8.428205 7.880325 
13.32518 
1 1 1 -17 14  5  o 96.73006 3.578878  2018.120       138.7426 1901.892       
230.1024 2084.514       173.9128 94.29466 5.812395 99.16545 4.177266 -4.870789 
7.157757 
1 1 1 -17 14  6  o 105.8633 3.965172  2312.238       147.1427 2547.597       
316.5775 2247.381       166.1840 108.6879 6.937767 103.0387 3.841580 5.649200 
7.930344 
1 1 1 -17 14  7  o 63.42548 3.791463  818.6677       91.06281 952.3406       
176.4658 770.1519       106.3114 66.58856 6.312217 60.26239 4.201986 6.326172 
7.582926 
1 1 1 -17 14  8  o 52.96038 4.954329  674.0720       89.10136 495.4351       
169.8517 741.8945       104.6578 46.78485 8.967258 59.13591 4.215424 -12.35107 
9.908659 
1 1 1 -17 14  9  o 127.1762 3.704170  3262.982       148.1199 3749.793       
371.3591 3170.884       161.5245 131.8230 6.710021 122.5294 3.139925 9.293602 
7.408341 
1 1 1 -17 14  10 o 53.48528 4.361335  588.2925       84.30296 669.8986       
174.7286 563.5318       96.24644 55.48800 7.500429 51.48257 4.452926 4.005421 
8.722671 
1 1 1 -17 14  11 o 68.41925 3.694620  904.7486       90.92112 1195.853       
195.8483 824.7728       102.6536 74.48376 6.262952 62.35473 3.921262 12.12904 
7.389240 
1 1 1 -17 14  12 o 22.77423 6.570274  55.57888       99.21601 9.237526       
159.5228 84.81400       126.7041 22.21401 9.531640 23.33445 9.045544 -1.120434 
13.14055 
1 1 1 -17 14  13 f 40.06516 6.398473  356.5882       103.3218 452.6928       
167.6765 297.7604       131.1871 44.22092 9.322909 35.90939 8.766138 8.311523 
12.79695 
1 1 1 -17 14  14 o 30.60249 6.313594  212.8856       89.43159 285.4398       
126.1600 139.6014       126.7931 35.10607 8.612992 26.09892 9.233757 9.007147 
12.62719 
1 1 1 -17 14  15 o 27.59862 6.009162  145.4527       88.96817 4.283480       
123.4529 297.9928       128.3286 19.42943 8.362379 35.76780 8.631961 -16.33837 
12.01832 
1 1 1 -17 14  16 o 45.76612 4.902655  462.9171       93.86610 502.6537       
132.1977 422.5134       133.3027 47.86109 6.579037 43.67116 7.270514 4.189930 
9.805310 
1 1 1 -17 14  17 o 55.89260 4.150070  682.2963       97.35362 694.2898       
136.8804 670.0189       138.4914 56.42288 5.778391 55.36232 5.958400 1.060558 
8.300140 
1 1 1 -17 14  18 o 77.53709 3.336830  1298.433       108.5923 1291.004       
155.1511 1305.567       152.0416 77.29088 4.781318 77.78332 4.655829 
-0.4924393     6.673661 
1 1 1 -17 14  19 o 48.29057 4.966058  537.5282       95.87788 427.1112       
137.9085 640.8254       133.3881 42.65831 7.995673 53.92282 5.892039 -11.26451 
9.932116 
1 1 1 -17 14  20 o 26.31471 6.111543  129.0424       94.04769 -38.79100      
134.5543 289.3555       131.5052 18.30192 8.259205 34.32751 9.010515 -16.02559 
12.22309 
1 1 1 -17 14  21 o 36.57253 6.225310  331.3188       95.89479 250.9709       
135.1088 412.8838       136.1283 31.65806 9.451622 41.48701 8.104614 -9.828951 
12.45062 
1 1 1 -17 14  22 o 28.66035 6.641498  200.8760       96.08266 273.7416       
135.4944 127.1719       136.2718 32.76839 9.372987 24.55232 9.411965 8.216078 
13.28300 
1 1 1 -17 14  23 o 54.87646 4.395380  686.4374       101.0595 647.8263       
144.0779 723.8315       141.7890 53.19009 6.451903 56.56284 5.970798 -3.372753 
8.790761 
1 1 1 -17 14  24 o 24.16910 6.183998  138.3419       80.71989 130.0670       
120.1332 145.1527       108.9891 23.84153 8.916217 24.49666 8.571371 
-0.6551266     12.36800 
1 1 1 -17 14  25 o 25.36874 6.138965  162.4607       84.51062 75.14678       
131.3737 224.0996       110.3809 21.36131 8.880388 29.37617 8.478577 -8.014862 
12.27793 
1 1 1 -17 14  26 o 19.27182 5.744972  39.41821       85.08871 -61.68911      
133.7746 108.1172       110.2701 16.70821 7.792264 21.83544 8.443900 -5.127226 
11.48994 
1 1 1 -17 14  27 o 16.97476 5.483554  -16.24554      85.56758 0.1848000      
134.9204 -27.30078      110.6722 18.06463 8.201826 15.88488 7.280626 2.179746 
10.96711 
1 1 1 -17 14  28 o 18.47516 5.719716  -0.2686214     87.33266 142.2176       
137.7157 -96.11284      112.9484 22.91330 9.253194 14.03703 6.725993 8.876276 
11.43943 
1 1 1 -17 15  1  o 46.31324 5.669743  483.0450       105.3056 440.1415       
161.8464 514.5425       138.6737 43.86432 9.093931 48.76216 6.773798 -4.897835 
11.33949 
1 1 1 -17 15  2  o 90.73233 3.990482  1801.818       146.2607 1610.422       
234.1952 1924.202       187.2724 86.41002 6.455577 95.05464 4.692687 -8.644623 
7.980964 
1 1 1 -17 15  3  o 74.65932 3.914176  1272.623       112.7170 957.7697       
186.9857 1452.340       141.2700 66.58453 6.688922 82.73410 4.067114 -16.14957 
7.828352 
1 1 1 -17 15  4  o 75.48682 4.067530  1218.228       120.4730 1231.837       
212.3266 1211.767       146.3034 75.51538 6.697149 75.45827 4.618157 
0.5711365E-01  8.135059 
1 1 1 -17 15  5  o 71.22445 3.828734  979.8542       104.6661 1356.703       
203.9107 845.0482       121.9583 79.43446 6.114375 63.01443 4.609908 16.42003 
7.657469 
1 1 1 -17 15  6  o 61.17137 3.520660  857.9554       82.19466 632.8650       
138.1474 981.3015       102.2650 54.25638 6.064750 68.08636 3.577568 -13.82998 
7.041319 
1 1 1 -17 15  7  o 83.04535 4.016324  1497.783       117.8072 1442.812       
242.3311 1514.795       134.8093 81.54977 7.077950 84.54093 3.798166 -2.991165 
8.032648 
1 1 1 -17 15  8  o 38.42439 5.945402  333.8391       83.78321 321.7000       
168.1209 337.8501       96.63851 37.18740 10.37827 39.66137 5.803682 -2.473965 
11.89080 
1 1 1 -17 15  9  o 54.01455 4.503759  650.7275       88.49820 586.9480       
171.0354 674.0463       103.4186 51.74657 7.872732 56.28252 4.376696 -4.535946 
9.007518 
1 1 1 -17 15  10 o 54.00446 4.853487  632.9257       97.75732 635.0646       
187.0590 632.1221       114.6610 53.64215 8.306031 54.36676 5.023464 
-0.7246094     9.706974 
1 1 1 -17 15  11 o 44.91252 5.868707  472.4657       103.6375 378.3849       
165.0402 533.7171       133.1672 40.19405 9.844931 49.63100 6.390947 -9.436951 
11.73741 
1 1 1 -17 15  12 o 66.30911 4.348542  923.1909       116.4554 1059.324       
198.4617 851.7020       143.8185 69.70133 6.781981 62.91689 5.444632 6.784443 
8.697084 
1 1 1 -17 15  13 o 44.03957 5.906200  446.3841       104.2970 406.3384       
163.5120 473.8530       135.4233 41.57354 9.561625 46.50559 6.936002 -4.932053 
11.81240 
1 1 1 -17 15  14 o 82.11411 3.557030  1448.250       122.5215 1523.366       
177.4724 1379.849       169.3556 84.14769 5.023538 80.08054 5.037253 4.067154 
7.114060 
1 1 1 -17 15  15 o 16.67796 5.243450  -46.14784      77.40171 24.33430       
105.1577 -129.4813      114.3434 18.85089 7.897554 14.50503 6.899543 4.345866 
10.48690 
1 1 1 -17 15  16 o 47.24402 5.116763  509.4911       96.09821 376.1024       
134.8709 647.0441       136.9600 40.11417 8.290323 54.37387 5.999631 -14.25970 
10.23353 
1 1 1 -17 15  17 o 64.01849 3.966100  896.3358       105.9462 885.8615       
158.1430 904.8649       142.7046 63.53169 5.928990 64.50529 5.269430 
-0.9735985     7.932201 
1 1 1 -17 15  18 o 98.53070 3.431429  2111.097       141.5437 2026.616       
205.2644 2187.687       195.4426 96.50288 5.066341 100.5585 4.629364 -4.055634 
6.862858 
1 1 1 -17 15  19 o 30.02257 6.558904  218.0975       90.81792 240.7877       
133.7048 198.6620       123.7446 31.30639 9.413703 28.73875 9.135595 2.567642 
13.11781 
1 1 1 -17 15  20 o 26.83066 6.565194  164.4512       93.36951 98.39059       
133.5512 227.6124       130.5875 23.34649 9.227254 30.31483 9.341567 -6.968334 
13.13039 
1 1 1 -17 15  21 o 88.81046 3.670595  1740.199       136.7439 1720.411       
189.1045 1761.886       197.9703 88.35917 5.097665 89.26174 5.282697 
-0.9025726     7.341190 
1 1 1 -17 15  22 o 38.04419 5.498964  352.0659       87.42090 194.4485       
120.3533 528.1094       127.1937 27.89881 9.023847 48.18956 6.286861 -20.29075 
10.99793 
1 1 1 -17 15  23 o 40.13123 5.257637  388.9957       85.99718 440.6351       
119.8678 334.2256       123.4479 43.69609 6.534029 36.56635 8.238777 7.129742 
10.51527 
1 1 1 -17 15  24 o 42.91364 4.982587  439.6491       87.20253 500.6576       
125.2144 382.1926       121.5148 46.43103 6.423432 39.39624 7.618677 7.034794 
9.965175 
1 1 1 -17 15  25 o 49.64897 5.051499  602.3876       99.59133 455.3910       
140.1879 752.1663       141.5082 42.25395 8.194981 57.04399 5.908712 -14.79005 
10.10300 
1 1 1 -17 15  26 o 53.88306 4.536570  690.7615       101.9546 733.1389       
154.7035 658.2243       135.5572 55.03991 6.694891 52.72621 6.123747 2.313698 
9.073139 
1 1 1 -17 15  27 o 45.28031 5.439312  540.0421       97.09064 512.7227       
154.9991 557.6832       124.5541 42.62547 8.946506 47.93515 6.189062 -5.309689 
10.87862 
1 1 1 -17 16  1  o 46.88621 5.033721  460.7919       96.66904 574.4259       
159.6665 395.0334       121.4606 51.17997 7.430786 42.59245 6.792408 8.587517 
10.06744 
1 1 1 -17 16  2  o 22.75805 5.886500  -54.11811      89.67979 251.1134       
151.5759 -218.5090      111.2383 33.02030 10.04205 12.49580 6.144976 20.52449 
11.77300 
1 1 1 -17 16  3  o 40.67991 6.064303  374.4455       96.42803 370.7996       
168.8125 376.2112       117.4804 39.74635 10.09385 41.61346 6.724384 -1.867107 
12.12861 
1 1 1 -17 16  4  o 57.42620 4.372828  748.5654       96.06576 615.7635       
166.5591 814.7653       117.5967 53.03600 7.480294 61.81641 4.531190 -8.780411 
8.745655 
1 1 1 -17 16  5  o 67.99010 4.258563  973.3074       108.4967 1051.696       
210.1294 944.8120       126.6911 69.41339 7.210486 66.56681 4.533246 2.846581 
8.517126 
1 1 1 -17 16  6  o 89.91058 3.711673  1642.254       124.8105 1937.405       
247.4292 1541.522       144.5481 94.66305 6.225747 85.15812 4.043034 9.504929 
7.423345 
1 1 1 -17 16  7  o 49.12909 4.200574  536.7772       80.06168 475.4341       
138.6855 567.4391       98.04999 46.68042 7.076478 51.57776 4.527997 -4.897339 
8.401149 
1 1 1 -17 16  8  o 37.74949 5.773824  342.2348       81.18016 269.6840       
156.5988 368.8965       94.93191 34.07430 10.17609 41.42468 5.458509 -7.350380 
11.54765 
1 1 1 -17 16  9  o 54.47385 4.991791  632.7524       110.7316 715.3423       
184.3173 586.1097       138.5141 56.97689 7.705279 51.97080 6.348275 5.006084 
9.983582 
1 1 1 -17 16  10 o 55.57895 4.618277  684.8748       100.7183 635.6144       
173.0080 710.1282       123.8734 53.65565 7.680186 57.50224 5.131147 -3.846584 
9.236554 
1 1 1 -17 16  11 f 92.25629 3.397462  1839.466       128.8122 1746.754       
201.0213 1904.057       167.7860 90.05151 5.317068 94.46107 4.230814 -4.409561 
6.794925 
1 1 1 -17 16  12 o 57.62930 4.857255  751.8217       110.2962 655.3699       
184.0576 805.8636       137.7732 54.15907 8.094752 61.09952 5.370913 -6.940445 
9.714511 
1 1 1 -17 16  13 o 119.7917 4.108209  3199.908       197.0227 2812.760       
319.5878 3437.254       250.2313 113.0906 6.731079 126.4927 4.711910 -13.40213 
8.216417 
1 1 1 -17 16  14 f 100.1475 3.716618  2172.521       156.1391 2267.678       
220.5950 2076.984       221.0337 102.4183 5.130255 97.87670 5.378984 4.541641 
7.433235 
1 1 1 -17 16  15 o 39.52487 5.675608  366.7545       92.13478 451.8413       
127.9445 275.1052       132.7869 45.15218 6.749381 33.89757 9.126663 11.25461 
11.35122 
1 1 1 -17 16  16 o 26.30084 6.289097  140.1756       90.92570 246.1171       
127.6423 31.03397       129.5558 31.99974 9.079619 20.60194 8.704681 11.39780 
12.57819 
1 1 1 -17 16  17 o 25.44789 6.042938  143.7345       79.38667 83.18186       
115.5792 197.8162       109.2292 22.05809 8.621038 28.83769 8.470305 -6.779594 
12.08588 
1 1 1 -17 16  18 o 34.30510 5.845452  293.7838       88.45957 172.1380       
135.5917 383.9248       116.7201 27.29977 9.559602 41.31042 6.729878 -14.01065 
11.69090 
1 1 1 -17 16  19 o 74.06219 3.622243  1202.935       111.5832 1208.631       
169.6835 1198.595       148.1119 73.99684 5.461946 74.12754 4.759172 
-0.1306992     7.244486 
1 1 1 -17 16  20 o 64.65855 3.974611  945.9468       105.5603 762.0491       
153.3171 1111.695       145.5549 58.12226 6.283030 71.19485 4.869668 -13.07258 
7.949222 
1 1 1 -17 16  21 o 49.73481 4.533302  570.3688       93.00001 471.7417       
134.3574 661.0882       128.8586 45.11536 7.093461 54.35427 5.646780 -9.238911 
9.066605 
1 1 1 -17 16  22 o 40.64837 6.050525  413.9603       100.1220 466.3459       
143.5921 364.3925       139.6768 43.52072 8.160067 37.77602 8.935810 5.744694 
12.10105 
1 1 1 -17 16  23 o 46.57701 4.958266  511.9167       96.77394 487.7971       
138.3048 535.0533       135.4576 45.30947 7.270586 47.84455 6.743604 -2.535080 
9.916533 
1 1 1 -17 16  24 o 57.89124 3.796540  763.9235       91.45278 664.6005       
130.6436 859.3605       128.0625 53.83945 5.779746 61.94302 4.924370 -8.103565 
7.593081 
1 1 1 -17 16  25 o 50.98303 4.321213  612.5657       89.48497 442.2855       
123.9367 798.0106       129.3378 42.79381 6.898267 59.17226 5.206289 -16.37844 
8.642426 
1 1 1 -17 16  26 o 38.16673 6.183903  404.2881       96.88429 395.6534       
142.8475 411.6437       131.8433 37.26333 9.178945 39.07013 8.289125 -1.806801 
12.36781 
1 1 1 -17 16  27 o 25.89325 6.572449  194.8156       89.93876 249.5197       
141.3233 157.5784       116.5983 28.14273 9.768625 23.64376 8.795585 4.498972 
13.14490 
1 1 1 -17 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 17  2  o 45.96267 5.630292  495.5670       99.79897 414.1876       
164.0551 543.3736       125.7409 41.90166 9.537006 50.02367 5.987176 -8.122009 
11.26058 
1 1 1 -17 17  3  o 55.25462 4.565097  669.1758       101.6745 653.7351       
167.7650 678.1395       127.8243 54.44368 7.339641 56.06556 5.430480 -1.621880 
9.130194 
1 1 1 -17 17  4  o 24.21643 6.303689  114.1753       82.20481 63.20890       
151.3245 135.5124       97.91177 23.52149 9.625636 24.91138 8.142060 -1.389889 
12.60738 
1 1 1 -17 17  5  o 89.19135 3.606838  1751.764       118.5615 1619.632       
226.4876 1801.639       139.1504 86.29092 6.251733 92.09177 3.599024 -5.800850 
7.213677 
1 1 1 -17 17  6  o 80.17803 4.040881  1427.983       119.2554 1308.286       
227.3796 1473.402       140.0658 77.19730 7.015691 83.15876 4.011853 -5.961456 
8.081762 
1 1 1 -17 17  7  o 97.18907 4.363325  2089.118       171.1154 1911.902       
276.3270 2199.343       217.9276 93.26941 7.056757 101.1087 5.133866 -7.839333 
8.726649 
1 1 1 -17 17  8  o 50.92316 5.745593  650.2813       108.1581 362.1125       
167.9850 854.3304       141.3561 38.91454 10.16972 62.93179 5.350144 -24.01725 
11.49119 
1 1 1 -17 17  9  o 33.20531 6.863689  247.8670       100.2296 327.6945       
161.7310 198.0906       127.7111 37.01114 10.12070 29.39948 9.274284 7.611662 
13.72738 
1 1 1 -17 17  10 o 110.4346 3.445210  2509.958       151.9447 2992.179       
267.4554 2280.148       184.6340 117.6145 5.416411 103.2547 4.259150 14.35982 
6.890419 
1 1 1 -17 17  11 o 93.11396 4.053361  1906.625       153.3587 1790.451       
245.5601 1980.911       196.3609 90.31783 6.475978 95.91010 4.876540 -5.592270 
8.106722 
1 1 1 -17 17  12 o 77.37862 4.088123  1225.977       124.9209 1544.595       
226.9939 1087.559       149.6150 83.79938 6.452002 70.95787 5.022219 12.84151 
8.176247 
1 1 1 -17 17  13 o 54.83393 5.043269  666.0369       111.2791 685.0406       
186.4724 655.5261       138.6794 54.98615 8.077599 54.68172 6.040750 0.3044281 
10.08654 
1 1 1 -17 17  14 o 38.05719 5.683757  335.0756       87.88236 276.3970       
117.9741 408.2351       131.7293 34.16216 8.296437 41.95221 7.771069 -7.790051 
11.36751 
1 1 1 -17 17  15 o 51.43279 4.545825  583.7838       97.55656 501.0906       
133.1047 679.7659       143.4016 47.40476 6.687943 55.46082 6.158697 -8.056057 
9.091651 
1 1 1 -17 17  16 o 32.28888 6.456416  254.1073       91.78653 282.0300       
130.3149 226.6169       129.3025 34.02085 8.987946 30.55691 9.271356 3.463940 
12.91283 
1 1 1 -17 17  17 o 48.66426 5.085704  552.2690       99.07947 451.0077       
144.0201 643.2580       136.5197 43.53913 8.179951 53.78939 6.045325 -10.25026 
10.17141 
1 1 1 -17 17  18 o 82.09851 3.710861  1477.639       127.4891 1322.033       
175.1758 1652.870       185.8949 77.41629 5.389677 86.78074 5.102289 -9.364449 
7.421723 
1 1 1 -17 17  19 o 57.18744 4.368769  744.5009       103.3522 664.0306       
153.6590 810.9819       139.6653 53.93377 6.786067 60.44110 5.503985 -6.507332 
8.737537 
1 1 1 -17 17  20 o 17.60244 5.678970  -47.68338      93.47352 -40.65433      
134.0364 -54.33832      130.4208 17.91938 8.146255 17.28550 7.914627 0.6338825 
11.35794 
1 1 1 -17 17  21 o 26.29325 6.583136  162.6369       96.43484 75.55537       
140.4548 240.2972       132.6395 22.16249 9.195862 30.42401 9.422678 -8.261520 
13.16627 
1 1 1 -17 17  22 f 19.58657 5.871447  36.03247       85.86691 -17.29686      
125.8686 82.45686       117.4376 17.85650 8.026973 21.31665 8.571071 -3.460144 
11.74289 
1 1 1 -17 17  23 o 30.93989 6.223737  251.3434       96.03225 100.1341       
138.2518 392.3228       133.4933 22.66586 9.225473 39.21392 8.356448 -16.54807 
12.44747 
1 1 1 -17 17  24 o 36.95166 6.170347  367.5190       95.20802 296.4379       
138.4754 431.2443       131.1148 32.63543 9.521555 41.26790 7.850649 -8.632477 
12.34069 
1 1 1 -17 17  25 o 26.72717 6.266939  198.2356       82.57085 227.6125       
118.3122 170.3394       115.2920 28.45949 8.916388 24.99485 8.808867 3.464640 
12.53388 
1 1 1 -17 17  26 o 48.46977 4.827386  596.0154       93.22583 477.8479       
133.8565 707.3251       129.9144 42.40645 7.811280 54.53308 5.674376 -12.12663 
9.654773 
1 1 1 -17 18  1  o 19.05488 6.048773  -64.65977      97.40176 34.40479       
163.7306 -118.9209      121.1756 22.81977 9.719470 15.29000 7.202953 7.529777 
12.09755 
1 1 1 -17 18  2  f 38.63992 6.208930  391.5858       103.7904 170.2823       
170.7905 521.1717       130.6917 28.60525 10.64435 48.67458 6.395390 -20.06932 
12.41786 
1 1 1 -17 18  3  o 116.7787 7.072623  3026.616       346.7553 3026.616       
346.7553 0.000000       0.000000 116.7787 7.072623 ?        ?        ? ? 
1 1 1 -17 18  4  o 50.15907 4.648967  541.1632       92.94778 595.2542       
161.5940 514.4192       113.6257 51.65703 7.451038 48.66112 5.561800 2.995914 
9.297935 
1 1 1 -17 18  5  o 38.86608 6.225206  341.1477       98.66199 464.0569       
156.6167 260.2790       127.0387 44.56829 8.679869 33.16388 8.925954 11.40442 
12.45041 
1 1 1 -17 18  6  o 58.02385 5.250453  815.9341       113.1113 538.8124       
177.5358 1005.284       146.7518 47.84465 9.165292 68.20306 5.125079 -20.35841 
10.50091 
1 1 1 -17 18  7  o 29.42261 6.865026  200.3621       99.28727 157.5278       
155.1773 230.0525       129.1936 27.61195 10.17012 31.23327 9.224042 -3.621315 
13.73005 
1 1 1 -17 18  8  o 39.59062 6.314727  398.1615       103.3981 245.8279       
171.6742 484.8786       129.5268 32.27842 10.78126 46.90283 6.577814 -14.62441 
12.62945 
1 1 1 -17 18  9  o 27.87035 6.437806  168.5180       99.55268 4.322667       
156.4518 280.2335       129.0497 21.41208 9.316953 34.32862 8.886831 -12.91654 
12.87561 
1 1 1 -17 18  10 o 47.62656 5.570033  522.7077       105.6905 495.4548       
166.5508 541.0814       136.7535 45.77539 8.986656 49.47772 6.583393 -3.702328 
11.14007 
1 1 1 -17 18  11 o 76.90442 4.587588  1353.131       140.8573 1122.526       
224.5121 1502.825       180.8872 70.60114 7.574414 83.20770 5.178039 -12.60656 
9.175176 
1 1 1 -17 18  12 o 26.13776 6.006320  118.3556       99.81207 -149.0548      
159.3766 290.9156       128.0282 17.42865 8.225134 34.84687 8.755038 -17.41823 
12.01264 
1 1 1 -17 18  13 f 69.12178 4.369106  1059.143       124.1125 1042.690       
195.2955 1070.290       160.7484 68.29249 6.811462 69.95107 5.473602 -1.658577 
8.738212 
1 1 1 -17 18  14 o 43.01418 6.153952  448.9514       106.8969 383.7108       
166.2434 494.9419       139.5788 39.19176 10.05477 46.83659 7.098314 -7.644833 
12.30790 
1 1 1 -17 18  15 o 104.9226 3.814176  2416.175       167.9721 2343.604       
235.0882 2491.866       240.0875 103.2905 5.421152 106.5548 5.366829 -3.264275 
7.628352 
1 1 1 -17 18  16 o 44.84132 4.656736  453.7913       87.45496 432.3217       
125.8075 473.8676       121.6569 43.68318 6.859830 45.99947 6.299484 -2.316292 
9.313473 
1 1 1 -17 18  17 o 29.14293 6.325787  192.2679       91.51147 323.3977       
136.8168 86.11212       123.1007 36.02193 9.050723 22.26393 8.840064 13.75800 
12.65157 
1 1 1 -17 18  18 f 83.53658 3.749752  1544.455       130.0711 1546.135       
198.8297 1543.197       171.9753 83.25075 5.688716 83.82241 4.886826 
-0.5716629     7.499504 
1 1 1 -17 18  19 o 64.21494 4.165364  920.5151       111.8080 1019.817       
167.7991 841.2218       149.9440 67.26559 5.941798 61.16430 5.839184 6.101284 
8.330728 
1 1 1 -17 18  20 o 19.22407 5.840620  -22.61362      94.92478 -173.1901      
137.3570 115.0457       131.3334 14.91431 7.208914 23.53383 9.191460 -8.619519 
11.68124 
1 1 1 -17 18  21 o 64.13614 3.927583  928.2067       105.7114 965.7516       
150.9449 892.0671       148.0930 65.45831 5.492558 62.81397 5.615641 2.644337 
7.855165 
1 1 1 -17 18  22 o 47.99646 5.473495  565.2132       106.2143 669.9832       
152.1595 465.6465       148.3330 53.31760 6.797507 42.67531 8.580820 10.64230 
10.94699 
1 1 1 -17 18  23 o 77.00955 3.707589  1343.519       119.0295 1148.797       
164.6565 1556.658       172.2676 70.84148 5.536207 83.17763 4.933080 -12.33615 
7.415178 
1 1 1 -17 18  24 o 22.03446 6.360900  105.2031       92.93943 107.9557       
137.6425 102.8964       126.0002 22.30072 9.162148 21.76819 8.826056 0.5325336 
12.72180 
1 1 1 -17 18  25 o 63.06732 3.794976  923.1223       99.99350 1055.262       
148.6961 814.0367       135.1035 67.27608 5.264533 58.85856 5.467363 8.417515 
7.589952 
1 1 1 -17 18  26 o 33.68694 8.548649  413.6363       151.2137 598.0791       
248.3609 304.9897       190.6165 38.23578 12.96757 29.13811 11.14270 9.097672 
17.09730 
1 1 1 -17 19  1  o 47.02718 6.062174  551.5989       109.3560 413.0447       
178.8905 634.2674       138.1807 40.52904 10.44934 53.52531 6.149067 -12.99628 
12.12435 
1 1 1 -17 19  2  o 19.45263 6.187286  -39.81263      100.1977 -0.9590365     
171.9685 -59.78201      123.2865 21.93231 9.653721 16.97296 7.741816 4.959352 
12.37457 
1 1 1 -17 19  3  o 71.59477 4.751028  1177.438       135.7986 1002.898       
218.3076 1287.605       173.4390 66.38082 7.833346 76.80873 5.378452 -10.42791 
9.502055 
1 1 1 -17 19  4  f 25.87370 9.652094  136.8041       140.6076 0.000000       
0.000000 136.8041       140.6076 ?        ?        25.87370 9.652094 ? ? 
1 1 1 -17 19  5  o 41.91882 6.386291  419.1911       106.9153 402.3906       
179.1076 428.4917       133.2625 40.17316 10.50210 43.66449 7.269436 -3.491329 
12.77258 
1 1 1 -17 19  6  o 73.54967 3.771497  1188.888       113.4043 1129.002       
179.3375 1228.790       146.3883 71.65767 5.961142 75.44166 4.621854 -3.783989 
7.542993 
1 1 1 -17 19  7  o 22.72768 6.505072  73.16435       96.75748 34.32458       
152.6628 99.24155       125.0908 22.06235 9.390687 23.39302 9.004378 -1.330679 
13.01014 
1 1 1 -17 19  8  o 61.92546 4.531785  888.4268       111.1021 695.6182       
176.2061 1015.664       143.1415 55.44073 7.570301 68.41019 4.983860 -12.96945 
9.063571 
1 1 1 -17 19  9  o 41.11884 6.025102  434.5456       109.8684 134.0120       
161.7085 692.2248       149.7359 26.37401 10.21994 55.86366 6.384365 -29.48965 
12.05020 
1 1 1 -17 19  10 o 90.59581 3.981048  1777.824       146.2928 1891.886       
242.9719 1712.959       183.2274 92.37803 6.264816 88.81358 4.913964 3.564445 
7.962096 
1 1 1 -17 19  11 o 80.85233 4.026610  1458.214       131.2813 1356.204       
213.1048 1520.605       166.6611 77.97343 6.509799 83.73122 4.740978 -5.757797 
8.053221 
1 1 1 -17 19  12 o 72.48286 4.282114  1194.442       126.4477 975.8118       
190.2747 1367.363       169.2195 65.82147 6.885485 79.14424 5.092748 -13.32277 
8.564227 
1 1 1 -17 19  13 o 43.25754 6.101513  438.3932       105.6098 534.4576       
167.0503 374.4354       136.3054 47.10635 8.773885 39.40873 8.481319 7.697624 
12.20303 
1 1 1 -17 19  14 o 110.3657 4.314997  2744.724       196.8693 2516.643       
296.9755 2923.535       262.9499 105.5612 6.700965 115.1702 5.438186 -9.608963 
8.629993 
1 1 1 -17 19  15 o 69.26665 3.882349  1061.026       112.8310 1053.904       
156.6442 1068.704       162.6599 69.08230 5.400932 69.45100 5.578573 
-0.3686981     7.764698 
1 1 1 -17 19  16 o 28.59357 6.548494  190.5640       94.32336 292.3506       
139.2131 104.1811       128.2474 33.93064 9.435682 23.25651 9.082896 10.67413 
13.09699 
1 1 1 -17 19  17 o 105.3209 3.639947  2455.811       160.4129 2407.816       
235.0563 2497.648       219.4619 104.1130 5.377593 106.5288 4.906969 -2.415764 
7.279894 
1 1 1 -17 19  18 o 41.67114 5.888277  436.2290       100.0003 321.0611       
146.3799 537.0153       136.9356 35.07487 9.644893 48.26741 6.757458 -13.19254 
11.77655 
1 1 1 -17 19  19 o 21.78440 6.113478  87.26010       84.33692 56.51123       
121.4499 115.8967       117.2042 20.45084 8.522429 23.11796 8.767363 -2.667116 
12.22696 
1 1 1 -17 19  20 o 38.45070 6.290721  381.1298       99.58150 389.4389       
143.0966 373.3271       138.6669 38.82220 8.955668 38.07920 8.836781 0.7429962 
12.58144 
1 1 1 -17 19  21 o 17.65353 5.733676  -45.43650      97.01186 -17.58452      
139.0558 -71.84640      135.4079 18.50703 8.371595 16.80004 7.836872 1.706995 
11.46735 
1 1 1 -17 19  22 o 15.67654 5.265006  -125.6314      96.44297 -221.0627      
140.4675 -40.52685      132.6499 14.04754 6.907163 17.30554 7.948097 -3.258008 
10.53001 
1 1 1 -17 19  23 o 32.33343 5.294730  276.6483       82.92804 84.87514       
119.1150 457.0309       115.5234 20.80435 8.531242 43.86250 6.273321 -23.05816 
10.58946 
1 1 1 -17 19  24 o 31.26530 6.727891  287.6452       96.66853 351.0204       
144.7689 236.6491       129.8625 34.28902 9.650494 28.24159 9.376890 6.047422 
13.45578 
1 1 1 -17 19  25 o 33.16218 8.518726  416.0877       149.9492 485.6095       
246.7395 375.3752       188.8173 33.97420 12.76379 32.35016 11.28541 1.624039 
17.03745 
1 1 1 -17 20  1  o 34.60960 6.528608  298.7388       121.1756 5.075159       
182.6163 529.7580       161.9715 22.32698 9.874041 46.89223 8.543666 -24.56525 
13.05722 
1 1 1 -17 20  2  o 69.41102 5.002362  1015.559       136.5568 1338.013       
251.3823 880.5722       162.6474 76.01107 7.877327 62.81096 6.167837 13.20011 
10.00472 
1 1 1 -17 20  3  o 24.73084 6.933359  85.60645       110.5683 199.3850       
168.7887 0.8271291E-01  146.3378 29.18288 10.62055 20.27880 8.915707 8.904074 
13.86672 
1 1 1 -17 20  4  o 28.75650 7.304968  184.7518       110.4790 242.8282       
177.1524 147.7887       141.3293 31.36974 10.93241 26.14327 9.691889 5.226475 
14.60994 
1 1 1 -17 20  5  o 17.89009 5.887197  -104.6315      107.3484 -55.50653      
157.6715 -147.0785      146.5634 19.36240 8.811084 16.41778 7.810324 2.944613 
11.77439 
1 1 1 -17 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 20  7  o 28.08679 6.732960  125.4978       103.3841 350.4307       
171.2850 -3.408871      129.6673 37.03157 10.52131 19.14201 8.404346 17.88956 
13.46592 
1 1 1 -17 20  8  o 49.01608 6.020270  579.6703       116.3834 345.8291       
160.9026 836.2526       168.5450 36.99170 10.08560 61.04044 6.576871 -24.04874 
12.04054 
1 1 1 -17 20  9  o 27.62008 6.953176  164.4611       100.7870 239.7812       
160.8085 115.7325       129.3436 31.11104 10.43450 24.12911 9.192820 6.981934 
13.90635 
1 1 1 -17 20  10 o 47.42049 5.703223  545.3338       105.9502 450.9029       
166.0906 610.1251       137.5772 42.60728 9.526226 52.23370 6.273599 -9.626419 
11.40645 
1 1 1 -17 20  11 o 64.06654 4.441269  944.8658       115.0558 789.6843       
178.1335 1055.945       150.7100 58.77627 7.218795 69.35682 5.175758 -10.58055 
8.882538 
1 1 1 -17 20  12 o 33.95684 6.158792  289.2496       89.79453 219.9703       
132.8920 347.4542       121.8080 29.80643 9.466448 38.10725 7.880940 -8.300823 
12.31758 
1 1 1 -17 20  13 o 33.26890 6.924465  282.5913       102.4232 275.9510       
159.9346 287.2080       133.3573 32.69770 10.38509 33.84010 9.162026 -1.142395 
13.84893 
1 1 1 -17 20  14 o 55.27966 4.926250  695.8826       111.3784 724.9706       
179.8146 677.7756       141.8707 55.69630 7.689881 54.86302 6.159340 0.8332787 
9.852499 
1 1 1 -17 20  15 o 60.05899 4.078858  806.2628       102.5066 788.5148       
138.8521 827.5219       151.9663 59.46666 5.561602 60.65131 5.967990 -1.184647 
8.157716 
1 1 1 -17 20  16 o 17.23101 5.569878  -56.37194      92.04624 -106.4276      
133.5046 -11.01872      127.0791 16.11292 7.581820 18.34909 8.161507 -2.236168 
11.13976 
1 1 1 -17 20  17 o 30.24668 6.315289  221.2029       93.74084 362.1081       
137.9550 100.3366       127.7693 37.75480 8.848392 22.73856 9.013183 15.01624 
12.63058 
1 1 1 -17 20  18 o 26.33213 6.715400  170.7004       95.01617 184.3444       
140.0195 159.0549       129.3591 27.05466 9.690145 25.60961 9.299864 1.445047 
13.43080 
1 1 1 -17 20  19 o 27.26173 6.406397  191.9210       87.04862 153.6398       
127.4476 225.3958       119.1786 25.12014 9.220201 29.40331 8.896941 -4.283163 
12.81279 
1 1 1 -17 20  20 o 24.79264 6.314069  147.0370       88.86288 68.94136       
129.3847 216.7685       122.2599 20.99802 8.776368 28.58727 9.079936 -7.589241 
12.62814 
1 1 1 -17 20  21 o 47.88004 5.467893  572.1475       106.9685 537.7914       
154.2809 603.9517       148.4406 45.72962 8.345533 50.03046 7.067070 -4.300842 
10.93579 
1 1 1 -17 20  22 o 16.27543 5.401627  -102.0844      97.90640 -225.2216      
142.1847 8.946791       135.0145 13.93741 6.864602 18.61346 8.341915 -4.676046 
10.80325 
1 1 1 -17 20  23 o 31.87993 6.589283  295.4781       96.56825 389.4590       
142.2354 215.1136       131.5285 36.79348 9.218334 26.96639 9.417906 9.827084 
13.17857 
1 1 1 -17 20  24 o 16.16541 5.574002  -181.5869      104.1137 25.82321       
189.2909 -271.5481      124.6644 20.45137 9.433856 11.87945 5.939726 8.571920 
11.14800 
1 1 1 -17 21  1  o 73.47543 5.019330  1233.548       142.7060 1284.782       
257.4053 1210.813       171.4703 73.24409 8.370781 73.70676 5.541185 
-0.4626694     10.03866 
1 1 1 -17 21  2  o 31.25998 7.397303  231.4159       112.6823 354.0463       
186.2744 160.6425       141.5106 36.14935 11.16049 26.37060 9.712044 9.778753 
14.79461 
1 1 1 -17 21  3  o 53.33056 6.005818  712.6260       122.4115 572.6689       
197.2761 800.2527       156.0974 47.09540 10.26243 59.56572 6.241950 -12.47032 
12.01164 
1 1 1 -17 21  4  o 67.77597 4.876731  1061.522       132.7750 720.1663       
184.2254 1430.493       191.5321 55.40209 7.920349 80.14985 5.691934 -24.74776 
9.753463 
1 1 1 -17 21  5  o 37.06937 7.112238  356.5811       114.2850 314.6877       
165.3950 394.8599       158.0987 34.70330 10.47707 39.43543 9.621164 -4.732124 
14.22448 
1 1 1 -17 21  6  o 23.62512 6.515339  42.68547       101.3916 237.2039       
162.7461 -80.70690      129.6207 30.62729 10.49713 16.62295 7.720671 14.00434 
13.03068 
1 1 1 -17 21  7  o 46.69086 5.948160  542.4310       108.5566 442.4076       
173.0693 607.3088       139.3854 41.52006 10.02703 51.86165 6.401653 -10.34159 
11.89632 
1 1 1 -17 21  8  o 27.37232 10.27966  171.2292       160.0132 171.2292       
160.0132 0.000000       0.000000 27.37232 10.27966 ?        ?        ? ? 
1 1 1 -17 21  9  o 23.30112 6.298150  101.1022       93.61918 -29.16187      
156.8614 173.1753       116.6784 19.79312 8.925654 26.80911 8.888165 -7.015989 
12.59630 
1 1 1 -17 21  10 o 33.31583 6.953489  282.9608       102.1434 296.9521       
164.3221 274.1504       130.3963 33.64082 10.50173 32.99084 9.116887 0.6499786 
13.90698 
1 1 1 -17 21  11 o 61.03482 4.802845  854.0298       120.2720 844.2767       
189.8911 860.5636       155.4211 60.17494 7.516402 61.89470 5.981050 -1.719757 
9.605689 
1 1 1 -17 21  12 o 31.25155 6.734829  257.1425       103.2608 142.2422       
161.9862 335.7955       134.0218 25.90040 10.18574 36.60271 8.813764 -10.70231 
13.46966 
1 1 1 -17 21  13 o 25.99634 6.745609  154.3766       101.7590 65.03657       
156.5011 219.8122       133.9372 22.59899 9.558735 29.39369 9.520691 -6.794699 
13.49122 
1 1 1 -17 21  14 o 41.84995 6.349310  458.1535       109.0099 338.4590       
169.1411 543.1938       142.5689 35.34915 10.57960 48.35074 7.023323 -13.00159 
12.69862 
1 1 1 -17 21  15 o 34.13981 6.719727  323.7380       107.3063 183.0956       
172.4899 412.5325       137.0562 27.49687 10.57577 40.78275 8.292892 -13.28589 
13.43945 
1 1 1 -17 21  16 o 25.50892 6.529813  143.4868       94.64111 238.8602       
138.5995 60.16841       129.5444 30.08475 9.679048 20.93309 8.767547 9.151661 
13.05963 
1 1 1 -17 21  17 o 36.30425 5.938754  343.9669       91.03338 257.1134       
140.2108 407.2593       119.6917 30.93611 9.709390 41.67239 6.841267 -10.73628 
11.87751 
1 1 1 -17 21  18 o 57.41059 4.025722  754.3159       96.36429 715.6042       
142.1278 787.2526       131.0988 55.72717 6.074814 59.09402 5.284162 -3.366848 
8.051443 
1 1 1 -17 21  19 o 23.96143 5.883768  106.3905       90.07278 -74.91107      
131.6556 265.9246       123.4995 16.37937 7.669445 31.54349 8.924938 -15.16413 
11.76754 
1 1 1 -17 21  20 o 31.33209 6.599371  273.9276       100.7281 158.3154       
143.9824 384.7492       140.9676 24.92215 9.646397 37.74203 9.008542 -12.81988 
13.19874 
1 1 1 -17 21  21 o 22.45687 6.123224  108.9721       89.26366 7.395008       
130.0114 199.5562       122.7749 18.22360 8.176078 26.69015 9.117414 -8.466555 
12.24645 
1 1 1 -17 21  22 o 29.30239 6.783979  252.1273       101.8587 370.5926       
149.7081 150.0198       138.9884 35.02333 9.799714 23.58145 9.383769 11.44188 
13.56796 
1 1 1 -17 21  23 f 41.90522 5.149397  453.9447       88.48740 459.5389       
129.2313 449.0068       121.4143 41.58779 7.691057 42.22264 6.849291 
-0.6348534     10.29879 
1 1 1 -17 22  1  o 37.10076 7.145660  344.1538       116.4325 543.6809       
188.7997 221.6983       147.9073 45.10870 10.20631 29.09282 10.00365 16.01588 
14.29132 
1 1 1 -17 22  2  o 17.70402 5.933814  -114.7591      110.0560 -110.1986      
194.8424 -116.8958      133.3694 19.61682 9.211195 15.79122 7.482945 3.825601 
11.86763 
1 1 1 -17 22  3  o 22.67637 6.734514  72.42102       109.6411 25.26876       
165.5197 109.2862       146.3547 21.55537 9.479477 23.79738 9.568398 -2.242008 
13.46903 
1 1 1 -17 22  4  o 28.12022 7.312456  195.6319       113.7207 171.4298       
156.8138 222.4792       165.1613 26.87163 10.15577 29.36882 10.52371 -2.497192 
14.62491 
1 1 1 -17 22  5  o 25.11187 6.480679  70.54464       111.6939 -163.7356      
158.4521 301.9306       157.4704 16.58255 7.950711 33.64118 10.23636 -17.05863 
12.96136 
1 1 1 -17 22  6  o 66.16793 4.668475  1013.431       126.1778 958.4606       
198.7587 1050.540       163.3048 63.92139 7.406294 68.41447 5.685545 -4.493076 
9.336949 
1 1 1 -17 22  7  o 18.19065 5.862506  -43.20906      98.71312 -48.51142      
149.5980 -39.11990      131.3736 18.64002 8.510497 17.74128 8.065194 0.8987350 
11.72501 
1 1 1 -17 22  8  o 34.87133 6.103710  316.8439       103.1374 113.5396       
153.8524 482.7746       138.9935 24.30437 9.794602 45.43829 7.286073 -21.13391 
12.20742 
1 1 1 -17 22  9  o 28.89264 6.883145  214.2508       99.20206 190.6588       
152.1169 231.7092       130.8569 27.75759 10.08431 30.02769 9.371099 -2.270100 
13.76629 
1 1 1 -17 22  10 o 21.04374 9.261275  19.24590       158.2244 19.24590       
158.2244 0.000000       0.000000 21.04374 9.261275 ?        ?        ? ? 
1 1 1 -17 22  11 o 76.16682 4.013834  1246.485       119.7745 1476.891       
218.3832 1147.360       143.2406 80.18666 6.486914 72.14699 4.728996 8.039673 
8.027668 
1 1 1 -17 22  12 o 42.77417 6.341172  476.1246       110.3362 382.4443       
171.0867 542.8320       144.3708 37.43817 10.47630 48.11016 7.147653 -10.67199 
12.68234 
1 1 1 -17 22  13 o 62.93140 4.599973  915.1649       119.9114 909.0266       
184.1224 919.6859       158.0161 62.25356 7.044717 63.60924 5.917007 -1.355679 
9.199946 
1 1 1 -17 22  14 o 21.17680 6.431683  49.33566       102.4392 14.75963       
164.7260 71.13944       130.8098 20.96953 9.312464 21.38408 8.873794 
-0.4145489     12.86337 
1 1 1 -17 22  15 f 27.40639 6.704404  196.1358       105.4245 40.13019       
176.5024 282.6630       131.4488 22.13608 9.759019 32.67669 9.195525 -10.54062 
13.40881 
1 1 1 -17 22  16 o 22.25483 6.390939  94.83117       93.40867 93.32045       
135.8619 96.18540       128.6339 22.31773 9.124744 22.19193 8.950723 0.1258049 
12.78188 
1 1 1 -17 22  17 o 27.61801 6.593888  204.7032       90.79948 187.0358       
141.2506 217.1452       118.5352 26.65873 9.714272 28.57729 8.919101 -1.918560 
13.18778 
1 1 1 -17 22  18 o 36.84631 5.965164  356.8202       90.34729 329.7984       
130.6627 381.5752       125.0620 35.05859 8.866625 38.63403 7.982211 -3.575436 
11.93033 
1 1 1 -17 22  19 o 17.86275 5.688275  -59.23623      98.35181 93.50797       
137.2702 -220.3596      140.9851 21.77342 9.066219 13.95208 6.872375 7.821348 
11.37655 
1 1 1 -17 22  20 o 43.08314 5.962876  499.5978       103.9222 486.3648       
147.8314 512.5261       146.1198 42.28365 8.626199 43.88263 8.234819 -1.598976 
11.92575 
1 1 1 -17 22  21 o 15.69090 5.183492  -82.49430      90.25800 -216.6946      
135.4965 24.55407       121.0156 13.39304 6.610277 17.98876 7.986151 -4.595722 
10.36698 
1 1 1 -17 22  22 o 34.01975 6.327814  335.2327       92.38948 404.0118       
135.9562 276.2188       125.9354 37.65322 8.757854 30.38628 9.135913 7.266939 
12.65563 
1 1 1 -17 23  1  o 26.31966 7.203629  166.9666       112.4530 227.9901       
174.4478 123.5802       147.0935 28.76454 10.74695 23.87478 9.595419 4.889751 
14.40726 
1 1 1 -17 23  2  o 25.30198 6.644427  123.3732       111.6577 -73.97260      
166.9850 282.9679       150.1664 18.62477 8.693784 31.97919 10.05046 -13.35442 
13.28885 
1 1 1 -17 23  3  o 26.93403 6.849691  155.4502       112.8468 -6.330506      
158.5586 321.5076       160.6407 19.94145 8.984199 33.92660 10.34201 -13.98515 
13.69938 
1 1 1 -17 23  4  o 51.64952 6.068208  672.2415       125.8315 525.6674       
176.4998 823.7427       179.4418 44.46803 9.721713 58.83101 7.265046 -14.36298 
12.13642 
1 1 1 -17 23  5  o 35.82584 7.288136  365.8175       124.9463 215.1459       
186.2233 489.1799       168.5039 28.60133 10.99143 43.05035 9.573716 -14.44902 
14.57627 
1 1 1 -17 23  6  o 68.14059 5.003298  1111.542       138.8790 1000.798       
215.8345 1189.790       181.4256 64.13277 8.016078 72.14843 5.989530 -8.015663 
10.00660 
1 1 1 -17 23  7  o 24.09136 6.729293  124.5813       101.1274 96.37867       
152.0738 146.9401       135.4046 23.20335 9.594554 24.97937 9.438117 -1.776020 
13.45859 
1 1 1 -17 23  8  o 48.38507 5.753267  557.7463       112.6244 678.2291       
182.1384 483.1625       143.3050 52.58998 8.249350 44.18016 8.021754 8.409821 
11.50653 
1 1 1 -17 23  9  o 39.46287 6.668575  407.7608       107.6230 428.1702       
168.7078 393.7560       139.7524 39.70436 10.09521 39.22137 8.715866 0.4829865 
13.33715 
1 1 1 -17 23  10 o 15.88235 5.378163  -131.9313      98.54899 -139.5020      
158.7237 -127.1820      125.7159 16.85512 8.051475 14.90957 7.132483 1.945548 
10.75633 
1 1 1 -17 23  11 o 32.00828 9.158475  271.0956       129.3436 0.000000       
0.000000 271.0956       129.3436 ?        ?        32.00828 9.158475 ? ? 
1 1 1 -17 23  12 f 19.44283 6.239828  -18.37353      102.1197 23.93074       
185.0248 -36.90548      122.4612 21.94030 9.800838 16.94537 7.725630 4.994934 
12.47966 
1 1 1 -17 23  13 o 31.97671 6.833809  252.9505       101.5583 419.3828       
165.9344 153.2649       128.4203 38.99030 10.06940 24.96312 9.241804 14.02718 
13.66762 
1 1 1 -17 23  14 o 24.03098 6.784240  129.7413       103.6817 86.29507       
170.1802 155.3870       130.7494 23.06864 9.869805 24.99331 9.310778 -1.924671 
13.56848 
1 1 1 -17 23  15 o 70.15799 4.160782  1154.832       119.8677 1012.802       
180.7929 1266.238       160.1203 65.43906 6.580599 74.87691 5.093540 -9.437843 
8.321565 
1 1 1 -17 23  16 o 69.29775 4.972111  1149.473       133.5050 1192.694       
238.5845 1129.771       161.0857 68.41351 8.306564 70.18200 5.467042 -1.768494 
9.944222 
1 1 1 -17 23  17 o 28.93848 6.659988  231.2466       97.12371 327.7432       
141.8225 146.0216       133.2823 33.90531 9.554783 23.97165 9.280513 9.933659 
13.31998 
1 1 1 -17 23  18 o 34.01216 6.806398  339.4930       101.4695 340.0055       
147.1455 339.0283       140.1119 33.82959 9.797479 34.19473 9.450801 
-0.3651466     13.61280 
1 1 1 -17 23  19 o 18.23749 5.757688  -16.62347      95.09786 -131.1009      
130.8369 111.5904       138.4643 14.56548 7.039515 21.90951 9.113129 -7.344036 
11.51538 
1 1 1 -17 23  20 o 19.85912 6.174860  59.19814       99.46392 66.17876       
141.4973 52.37972       139.8438 20.11506 8.805781 19.60318 8.658740 0.5118809 
12.34972 
1 1 1 -17 24  1  o 20.17942 6.409112  23.98950       113.2282 11.48275       
167.6356 34.48251       153.5480 20.13758 9.142811 20.22127 8.984203 
-0.8369064E-01 12.81822 
1 1 1 -17 24  2  o 27.03025 7.072734  191.8360       113.5887 81.82986       
159.1790 305.9720       162.1394 22.10022 9.503395 31.96028 10.47758 -9.860058 
14.14547 
1 1 1 -17 24  3  o 20.15403 6.460663  -0.7441645     118.1105 -29.10443      
159.5572 33.63316       175.6699 18.97729 8.716366 21.33077 9.538639 -2.353483 
12.92133 
1 1 1 -17 24  4  o 44.54415 6.569984  537.4782       122.5111 340.6745       
169.6707 751.8469       177.0805 33.89128 10.68957 55.19702 7.641457 -21.30574 
13.13997 
1 1 1 -17 24  5  o 40.67142 6.997656  460.8648       118.5505 490.1332       
165.0557 429.6766       170.3827 42.51045 9.490855 38.83239 10.28555 3.678062 
13.99531 
1 1 1 -17 24  6  o 31.00934 7.119712  273.0022       106.3824 255.5784       
155.5121 288.3275       145.8473 29.98669 10.26122 32.03199 9.872617 -2.045303 
14.23942 
1 1 1 -17 24  7  o 25.47162 6.732298  138.1761       100.9714 274.3940       
158.2020 44.54657       131.1599 30.94779 10.34958 19.99546 8.612868 10.95233 
13.46460 
1 1 1 -17 24  8  o 30.37665 6.802853  228.6905       101.4903 397.1975       
162.6970 121.3516       129.8521 37.56537 10.09708 23.18793 9.119447 14.37745 
13.60571 
1 1 1 -17 24  9  o 20.76007 6.338269  50.38973       97.08503 74.67241       
163.0372 37.04855       120.8469 22.32556 9.609434 19.19459 8.267610 3.130968 
12.67654 
1 1 1 -17 24  10 o 17.78745 5.825547  -39.25740      94.95212 -54.18818      
176.9051 -33.21532      112.5362 19.35026 8.999795 16.22464 7.399436 3.125626 
11.65109 
1 1 1 -17 24  11 o 33.39439 7.161487  262.2802       101.2477 499.6847       
197.5529 177.7079       117.9106 40.81158 11.19684 25.97718 8.931871 14.83440 
14.32297 
1 1 1 -17 24  12 o 32.08530 7.419540  251.6841       104.9692 464.5895       
206.9541 177.9400       121.7991 38.29275 11.75185 25.87786 9.060486 12.41489 
14.83908 
1 1 1 -17 24  13 o 26.29163 11.05362  178.0824       207.2057 0.000000       
0.000000 178.0824       207.2057 ?        ?        26.29163 11.05362 ? ? 
1 1 1 -17 24  14 o 24.73382 6.980694  154.3396       104.7527 165.9898       
186.5478 148.9743       126.5962 25.42186 10.57614 24.04577 9.114030 1.376087 
13.96139 
1 1 1 -17 24  15 o 22.98724 6.711060  90.60974       102.1983 236.1648       
176.5692 17.28182       125.3245 27.71407 10.69161 18.26040 8.114359 9.453665 
13.42212 
1 1 1 -17 24  16 o 72.51691 4.941538  1343.295       139.9117 1165.567       
231.8218 1445.123       175.4732 66.20390 8.340495 78.82993 5.302013 -12.62603 
9.883077 
1 1 1 -17 24  17 o 21.86923 6.481732  109.7971       100.0548 124.5585       
146.6050 96.92683       136.8917 22.50685 9.370371 21.23162 8.958100 1.275229 
12.96346 
1 1 1 -17 24  18 o 21.02260 6.331705  93.96190       98.26094 98.20235       
139.9046 89.83383       138.0382 21.20053 9.005766 20.84468 8.902702 0.3558426 
12.66341 
1 1 1 -17 25  1  o 23.81066 6.914844  159.5716       111.1097 144.7326       
160.8109 173.1266       153.6963 23.27757 9.759843 24.34376 9.798251 -1.066193 
13.82969 
1 1 1 -17 25  2  o 28.23071 7.372374  260.1641       125.0361 135.0356       
186.9277 361.4831       168.2058 23.39232 10.18141 33.06910 10.66520 -9.676781 
14.74475 
1 1 1 -17 25  3  o 16.27407 5.519478  -110.0230      108.1194 -106.9208      
156.0751 -112.8854      149.9186 16.49513 7.904463 16.05300 7.705713 0.4421310 
11.03896 
1 1 1 -17 25  4  o 32.12249 7.165693  314.3783       118.7871 484.4919       
172.9422 162.4430       163.4409 39.86765 10.27140 24.37734 9.994345 15.49031 
14.33139 
1 1 1 -17 25  5  o 28.06213 7.175009  230.8273       112.9228 342.1505       
166.5708 136.1547       153.6095 32.75016 10.61833 23.37411 9.652676 9.376055 
14.35002 
1 1 1 -17 25  6  o 23.59179 6.710630  119.2937       113.2595 244.9501       
154.1085 -28.29188      167.0152 28.30819 10.16330 18.87540 8.765697 9.432785 
13.42126 
1 1 1 -17 25  7  o 23.73253 6.639426  146.0554       102.4915 58.52105       
175.1915 191.6036       126.3745 21.44222 9.558704 26.02285 9.217326 -4.580626 
13.27885 
1 1 1 -17 25  8  o 21.69629 6.440927  90.56629       97.74458 140.5134       
153.9397 56.82663       126.5220 23.69795 9.704921 19.69464 8.470930 4.003311 
12.88185 
1 1 1 -17 25  9  o 50.69506 6.093136  520.0657       113.5694 1245.796       
233.0470 294.0380       130.0580 69.34615 8.004649 32.04397 9.188625 37.30218 
12.18627 
1 1 1 -17 25  10 o 21.02374 6.237916  84.33154       96.79099 -33.06807      
176.2284 135.0444       115.8248 19.14880 8.935590 22.89868 8.706412 -3.749880 
12.47583 
1 1 1 -17 25  11 o 51.45499 6.353744  467.0748       114.8346 1475.355       
270.2742 244.9579       126.8542 73.91000 8.710085 28.99998 9.252818 44.91001 
12.70749 
1 1 1 -17 25  12 o 28.84315 7.145899  207.2778       101.2145 429.1989       
190.1402 119.5301       119.5617 35.67454 11.32265 22.01176 8.720843 13.66278 
14.29180 
1 1 1 -17 25  13 o 20.53851 6.403404  10.93423       103.1874 202.2810       
182.1186 -79.53793      125.2279 25.75799 10.55343 15.31904 7.255299 10.43895 
12.80681 
1 1 1 -17 25  14 o 25.11135 7.088126  164.2115       102.4291 281.7375       
195.3921 119.6751       120.2812 28.39310 11.18022 21.82960 8.716006 6.563503 
14.17625 
1 1 1 -17 25  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -17 25  16 o 29.33162 7.084434  186.9732       98.31491 531.0195       
202.1655 80.40430       112.5159 38.94419 11.54834 19.71904 8.209302 19.22515 
14.16887 
1 1 1 -17 26  6  o 17.46503 5.781232  -51.93146      108.3079 26.91485       
150.3157 -137.0654      156.1943 19.15231 8.681581 15.77776 7.636799 3.374550 
11.56246 
1 1 1 -17 26  7  o 30.90280 7.134640  266.9252       112.9273 519.3667       
187.0391 122.1152       141.6613 39.68233 10.89827 22.12327 9.210873 17.55906 
14.26928 
1 1 1 -17 26  8  o 20.41422 6.299331  -6.303754      102.2764 235.6103       
175.7902 -130.0962      125.7509 26.67056 10.57201 14.15787 6.852655 12.51269 
12.59866 
1 1 1 -17 26  9  f 41.27295 6.747791  431.9211       112.3784 834.3130       
206.5681 262.7625       133.9324 53.38340 9.562900 29.16250 9.522693 24.22090 
13.49558 
1 1 1 -17 26  10 o 24.91631 6.577386  18.18944       105.6455 465.6656       
193.0924 -172.9883      126.2115 36.40388 11.38797 13.42874 6.584990 22.97514 
13.15477 
1 1 1 -17 26  11 o 25.63315 6.961418  197.9718       100.8628 220.9127       
184.1315 188.1373       120.5592 25.99866 10.62506 25.26764 8.997417 0.7310219 
13.92284 
1 1 1 -16 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 1  o 27.36406 3.900350  159.2733       43.70305 109.3462       
56.32766 234.7840       69.27203 21.88718 5.967306 32.84094 5.024159 -10.95376 
7.800700 
1 1 1 -16 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 1  o 22.12661 4.653735  107.1057       45.95099 90.48288       
59.67925 131.3099       72.01390 20.26011 6.329692 23.99310 6.823782 -3.732986 
9.307470 
1 1 1 -16 -27 2  o 42.50883 3.987273  390.5932       70.14664 367.8770       
90.79593 424.2267       110.4804 41.10727 5.261007 43.91039 5.992929 -2.803120 
7.974547 
1 1 1 -16 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 1  o 17.44761 4.818909  28.38304       51.44197 -5.579144      
64.85476 85.99919       84.47266 13.88833 6.020198 21.00690 7.526270 -7.118569 
9.637817 
1 1 1 -16 -26 2  o 18.98536 4.707484  69.03951       45.24132 58.34958       
56.91747 87.38250       74.55782 17.38888 6.183142 20.58183 7.100027 -3.192945 
9.414968 
1 1 1 -16 -26 3  o 40.28765 2.821687  344.1882       47.03270 329.3728       
60.96031 365.9776       73.92835 39.28157 3.696404 41.29374 4.264302 -2.012169 
5.643374 
1 1 1 -16 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 1  o 36.84271 2.822619  282.6394       43.20770 241.6561       
56.64591 339.6590       66.81546 33.71351 4.002079 39.97191 3.981467 -6.258400 
5.645238 
1 1 1 -16 -25 2  o 28.74548 4.540242  183.3588       51.91014 174.7710       
65.05448 198.4108       86.12570 27.96245 5.738706 29.52851 7.037217 -1.566063 
9.080483 
1 1 1 -16 -25 3  o 36.03346 3.602860  266.5458       51.71027 240.8071       
62.60871 321.7863       91.72128 33.53590 4.446783 38.53102 5.669968 -4.995129 
7.205721 
1 1 1 -16 -25 4  o 88.27667 2.224015  1659.015       81.80906 1695.561       
109.9250 1613.642       122.4819 89.43556 2.927570 87.11779 3.348776 2.317772 
4.448030 
1 1 1 -16 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 1  o 115.2097 3.058526  2791.734       146.8376 2596.326       
193.8554 3054.756       224.9069 110.5767 4.175757 119.8426 4.470052 -9.265877 
6.117051 
1 1 1 -16 -24 2  o 29.20136 4.361328  189.0691       52.99281 246.3453       
75.71244 134.0631       74.19685 33.90747 5.318546 24.49525 6.913596 9.412212 
8.722656 
1 1 1 -16 -24 3  f 56.85696 2.831649  672.9931       66.85069 586.6280       
87.14118 796.5195       104.2160 52.52752 3.951460 61.18639 4.056957 -8.658871 
5.663298 
1 1 1 -16 -24 4  o 21.23802 4.887367  79.84753       55.55980 162.3505       
81.92310 9.582015       75.60365 26.70653 7.158804 15.76950 6.655594 10.93703 
9.774734 
1 1 1 -16 -24 5  o 51.99188 3.454010  563.4843       70.09671 632.5271       
127.7386 533.7352       83.84918 53.98410 5.636082 49.99966 3.994412 3.984444 
6.908020 
1 1 1 -16 -24 6  o 84.46842 2.992527  1537.239       100.9873 1506.975       
170.3345 1553.643       125.4044 83.53923 4.856609 85.39761 3.497745 -1.858383 
5.985054 
1 1 1 -16 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 1  f 53.78135 3.640227  580.2247       78.91039 496.5575       
96.50439 749.0327       137.0774 48.33067 4.756039 59.23203 5.512268 -10.90136 
7.280454 
1 1 1 -16 -23 2  o 48.34621 3.071363  491.1261       61.94703 574.9186       
92.69488 423.5016       83.27322 52.04626 4.242162 44.64616 4.442652 7.400101 
6.142727 
1 1 1 -16 -23 3  o 17.91347 4.760875  48.89183       49.65033 76.70359       
71.62668 23.16780       68.88585 19.83639 6.947836 15.99055 6.510860 3.845841 
9.521750 
1 1 1 -16 -23 4  o 28.90837 4.078116  204.7464       48.85385 78.08477       
73.72935 303.8842       65.22856 20.01162 7.045187 37.80513 4.109681 -17.79351 
8.156233 
1 1 1 -16 -23 5  o 28.54805 4.501735  164.7038       56.59402 306.1950       
89.74458 71.28795       72.92122 37.66605 5.675174 19.43006 6.989627 18.23600 
9.003470 
1 1 1 -16 -23 6  o 53.29132 3.470918  609.4416       77.57319 572.9451       
107.3407 649.3406       112.2328 51.61270 4.953692 54.96994 4.863129 -3.357239 
6.941836 
1 1 1 -16 -23 7  o 18.39779 4.949020  56.43234       52.78539 59.22105       
78.19008 54.09713       71.55061 18.78592 7.150289 18.00965 6.844309 0.7762699 
9.898041 
1 1 1 -16 -23 8  o 12.61374 4.058950  -56.50904      50.93132 -143.2824      
79.70458 3.374083       66.21286 10.81762 5.286646 14.40985 6.160495 -3.592234 
8.117901 
1 1 1 -16 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -22 1  o 92.20311 2.779787  1783.507       106.4895 1704.970       
139.5714 1892.916       164.7355 89.83138 3.700747 94.57484 4.148897 -4.743462 
5.559575 
1 1 1 -16 -22 2  o 152.9859 2.875266  4895.541       178.4139 5186.177       
296.7145 4730.949       223.2895 156.3437 4.520427 149.6280 3.554483 6.715637 
5.750532 
1 1 1 -16 -22 3  o 41.95940 3.437736  380.0773       59.62972 318.1631       
86.77308 435.4764       82.08073 38.61425 5.352521 45.30455 4.315394 -6.690304 
6.875472 
1 1 1 -16 -22 4  o 62.78111 2.523426  831.9863       65.99027 850.7823       
100.2616 817.6206       87.65283 63.37600 3.768172 62.18622 3.357321 1.189781 
5.046853 
1 1 1 -16 -22 5  f 75.92474 2.581239  1226.482       77.43488 1207.256       
133.9093 1236.140       94.91314 75.35171 4.232906 76.49777 2.955280 -1.146065 
5.162477 
1 1 1 -16 -22 6  o 72.86082 2.544699  1126.049       77.81663 1118.070       
108.5327 1134.490       111.6314 72.60336 3.560614 73.11829 3.636481 
-0.5149231     5.089397 
1 1 1 -16 -22 7  o 72.22826 2.889715  1049.664       81.54057 1286.262       
150.9283 952.1396       96.89933 77.48666 4.639431 66.96986 3.446374 10.51680 
5.779430 
1 1 1 -16 -22 8  o 29.77480 4.976086  206.0698       61.93933 156.8235       
89.51800 251.3015       85.79165 26.17861 7.661277 33.37099 6.352208 -7.192381 
9.952171 
1 1 1 -16 -22 9  o 41.38179 3.803065  356.0663       64.29287 498.2478       
102.9442 265.1437       82.32207 47.92280 5.116591 34.84077 5.627941 13.08203 
7.606131 
1 1 1 -16 -22 10 o 15.89889 4.762751  6.188363       55.91036 37.12627       
81.69296 -21.07127      76.68300 17.55080 7.110610 14.24698 6.338329 3.303823 
9.525502 
1 1 1 -16 -22 11 o 18.11846 4.966424  47.69044       57.77908 -18.93399      
92.00719 91.07345       74.24460 15.67533 6.960748 20.56159 7.085865 -4.886253 
9.932849 
1 1 1 -16 -22 12 o 37.42803 4.109198  309.9743       64.15594 341.0837       
97.72163 286.4083       85.05238 38.99952 5.968325 35.85654 5.649879 3.142979 
8.218395 
1 1 1 -16 -22 13 o 21.86773 5.390526  105.8744       60.63972 127.6488       
91.75516 88.98882       80.80058 23.33478 7.881922 20.40069 7.355704 2.934090 
10.78105 
1 1 1 -16 -22 14 o 22.60357 5.100069  118.7455       58.74853 55.40938       
85.20961 176.1310       81.10799 18.35517 7.333774 26.85197 7.089327 -8.496801 
10.20014 
1 1 1 -16 -22 15 o 30.66825 5.519039  248.7856       72.13646 287.6419       
92.25343 187.6444       115.7227 34.56074 6.594451 26.77576 8.851688 7.784981 
11.03808 
1 1 1 -16 -22 16 o 23.27713 5.832868  127.9239       69.47210 93.47559       
86.56593 190.2571       116.4454 20.20456 7.566217 26.34971 8.879287 -6.145147 
11.66574 
1 1 1 -16 -22 17 o 24.39861 6.029538  144.3232       72.72902 94.93759       
87.71830 252.9412       130.0892 19.89038 7.572626 28.90683 9.384915 -9.016455 
12.05908 
1 1 1 -16 -21 1  o 80.02376 3.246151  1340.818       106.8766 1286.205       
136.8333 1426.266       171.1556 78.01215 4.177829 82.03537 4.969481 -4.023216 
6.492303 
1 1 1 -16 -21 2  o 61.83043 2.917757  830.6934       73.53980 685.1808       
111.8001 941.6693       97.63514 56.86040 4.683313 66.80046 3.481350 -9.940060 
5.835514 
1 1 1 -16 -21 3  o 41.23533 3.571184  363.3039       61.46704 337.2622       
89.71090 386.3471       84.38811 39.80201 5.368603 42.66864 4.710787 -2.866631 
7.142367 
1 1 1 -16 -21 4  o 46.24610 2.970992  459.6781       56.35259 419.8059       
87.44994 487.9926       73.69338 44.45283 4.685772 48.03937 3.653863 -3.586536 
5.941984 
1 1 1 -16 -21 5  o 107.1065 2.613227  2400.698       108.0572 2498.371       
197.8380 2359.172       128.9988 108.4726 4.344207 105.7403 2.905803 2.732353 
5.226454 
1 1 1 -16 -21 6  o 38.49104 3.626472  338.7235       53.50303 227.8687       
80.00651 428.4035       71.96082 32.03015 6.169773 44.95192 3.813018 -12.92177 
7.252944 
1 1 1 -16 -21 7  o 29.93238 4.174629  201.9025       50.86918 153.1380       
74.53633 244.4184       69.59715 26.06005 6.757409 33.80471 4.903828 -7.744667 
8.349257 
1 1 1 -16 -21 8  o 69.50444 2.762427  1015.267       79.11356 1094.659       
126.3934 964.1259       101.4434 71.63462 4.202644 67.37426 3.586336 4.260361 
5.524855 
1 1 1 -16 -21 9  o 20.71460 5.095495  62.21782       63.38957 -37.70160      
90.23584 159.5684       89.06833 15.02506 6.772938 26.40414 7.614695 -11.37908 
10.19099 
1 1 1 -16 -21 10 o 31.46518 4.994714  223.6012       64.77010 300.4966       
97.76807 163.4552       86.46698 36.35403 6.653335 26.57633 7.451294 9.777704 
9.989428 
1 1 1 -16 -21 11 o 28.47053 5.130018  188.8936       61.45301 205.1688       
90.43688 174.9322       83.76181 29.58288 7.313570 27.35817 7.195835 2.224705 
10.26004 
1 1 1 -16 -21 12 o 32.39058 5.231572  241.8108       68.07420 279.8989       
110.9159 218.7933       86.22406 34.21049 7.879737 30.57068 6.883832 3.639809 
10.46314 
1 1 1 -16 -21 13 o 20.41590 4.969115  33.67439       60.61521 194.0293       
99.40462 -61.24575      76.47944 28.24130 8.012410 12.59051 5.879601 15.65079 
9.938231 
1 1 1 -16 -21 14 o 19.57770 5.103790  79.55440       55.39551 36.88935       
98.87506 99.07320       66.87708 18.38266 7.676974 20.77274 6.727463 -2.390083 
10.20758 
1 1 1 -16 -21 15 o 30.66779 4.827762  240.1697       60.87099 160.4469       
99.25541 288.2299       77.06471 25.41744 8.192192 35.91815 5.110491 -10.50071 
9.655523 
1 1 1 -16 -21 16 o 19.82145 5.256318  77.95405       64.00483 3.392482       
100.5032 128.8262       83.01610 16.72274 7.369381 22.92015 7.497182 -6.197403 
10.51264 
1 1 1 -16 -21 17 o 24.99053 5.243583  164.3853       69.07031 40.21442       
107.1669 252.6157       90.33586 18.28934 7.828842 31.69172 6.977815 -13.40239 
10.48717 
1 1 1 -16 -21 18 o 17.87940 5.218462  51.59099       65.68901 94.36149       
92.19293 7.486063       93.62009 19.93152 7.718090 15.82727 7.025701 4.104250 
10.43692 
1 1 1 -16 -20 1  o 63.47553 3.299773  851.1199       87.90724 828.4810       
122.4515 875.1951       126.2759 62.60587 4.658757 64.34520 4.674396 -1.739330 
6.599545 
1 1 1 -16 -20 2  o 175.7603 3.311456  6512.471       241.4924 6686.369       
373.1761 6387.177       316.7603 177.6747 5.002756 173.8459 4.339976 3.828766 
6.622911 
1 1 1 -16 -20 3  o 52.04946 3.134789  572.3867       68.39973 588.2054       
100.0016 558.4800       93.76311 52.71621 4.518393 51.38271 4.346464 1.333492 
6.269579 
1 1 1 -16 -20 4  o 106.0541 2.759310  2356.851       111.2353 2427.045       
208.6689 2328.986       131.4728 106.9926 4.645423 105.1157 2.979130 1.876862 
5.518620 
1 1 1 -16 -20 5  o 34.23859 4.149608  264.1440       56.35429 190.1425       
82.78903 328.0376       76.92738 29.16982 6.866378 39.30736 4.661526 -10.13754 
8.299215 
1 1 1 -16 -20 6  o 78.57870 2.514440  1359.993       79.22332 1074.728       
123.6639 1558.567       103.1761 71.19649 4.137188 85.96092 2.858900 -14.76443 
5.028880 
1 1 1 -16 -20 7  o 46.43300 3.232378  481.3670       59.89809 347.5773       
90.70242 584.8361       79.76507 40.30995 5.359542 52.55605 3.615023 -12.24611 
6.464757 
1 1 1 -16 -20 8  o 53.97565 2.918639  619.4269       65.62341 619.9525       
99.16766 619.0174       87.52921 53.95289 4.378007 53.99840 3.860941 
-0.4550934E-01 5.837277 
1 1 1 -16 -20 9  f 24.57850 5.002357  137.3942       57.25057 184.1216       
76.44109 77.69879       86.39950 28.54317 6.519219 20.61382 7.589077 7.929352 
10.00471 
1 1 1 -16 -20 10 o 92.24048 3.091499  1786.383       117.5589 2006.458       
188.6493 1646.664       150.3131 96.67603 4.647908 87.80492 4.077549 8.871109 
6.182997 
1 1 1 -16 -20 11 o 39.58661 3.946875  339.5623       64.00246 350.8137       
103.0021 332.4860       81.68613 39.96449 6.138930 39.20872 4.962342 0.7557716 
7.893751 
1 1 1 -16 -20 12 o 21.61238 5.248069  100.0922       59.29313 56.92366       
92.77670 129.8981       77.09138 19.43059 7.687206 23.79418 7.146733 -4.363583 
10.49614 
1 1 1 -16 -20 13 o 39.67917 4.459252  356.9840       69.61571 353.6655       
114.2942 358.9413       87.77677 38.89131 7.269570 40.46703 5.166535 -1.575718 
8.918505 
1 1 1 -16 -20 14 o 15.27413 4.849595  -25.07808      64.29762 -59.27464      
104.1214 -3.999632      81.74630 15.21771 7.010928 15.33055 6.702324 
-0.1128416     9.699189 
1 1 1 -16 -20 15 o 41.12795 4.538942  394.2668       75.12225 363.8383       
113.7730 417.7869       100.0273 39.04607 7.211461 43.20982 5.513875 -4.163750 
9.077885 
1 1 1 -16 -20 16 o 70.67775 3.594084  1114.049       102.0223 1120.410       
170.6309 1110.510       127.2794 70.20296 5.789263 71.15254 4.260775 
-0.9495773     7.188169 
1 1 1 -16 -20 17 o 28.89743 5.223202  186.6167       73.26430 379.1817       
113.6581 49.72198       95.83075 39.34581 7.143924 18.44905 7.621792 20.89677 
10.44640 
1 1 1 -16 -20 18 o 17.88792 5.374309  40.86128       70.65225 9.181633       
114.5176 60.33015       89.77437 17.45028 7.755211 18.32555 7.442412 
-0.8752670     10.74862 
1 1 1 -16 -20 19 o 65.36678 3.828702  1019.869       101.0849 949.2803       
162.1803 1064.713       129.2658 62.38443 6.192171 68.34913 4.504759 -5.964703 
7.657404 
1 1 1 -16 -19 1  o 92.27446 3.130247  1783.193       116.5669 1747.236       
145.2913 1848.147       195.2794 91.04635 3.801003 93.50257 4.974552 -2.456223 
6.260494 
1 1 1 -16 -19 2  o 48.57338 4.094930  466.0313       80.47664 342.9895       
100.4062 687.0852       134.5808 40.20753 5.948041 56.93923 5.629796 -16.73170 
8.189859 
1 1 1 -16 -19 3  o 133.6375 3.167678  3853.355       173.1855 3348.266       
266.0561 4224.727       228.1361 125.7600 5.039088 141.5151 3.839833 -15.75512 
6.335355 
1 1 1 -16 -19 4  o 68.68237 2.693719  988.7790       76.93073 1044.504       
118.5175 948.2033       101.1321 70.32194 4.014326 67.04282 3.593004 3.279121 
5.387438 
1 1 1 -16 -19 5  o 77.33050 2.513116  1282.811       79.91740 1140.800       
121.9288 1389.770       105.8166 73.46651 3.953100 81.19449 3.104191 -7.727982 
5.026231 
1 1 1 -16 -19 6  o 63.08981 2.604598  837.5231       67.17814 857.6744       
108.6735 825.0604       85.46309 63.65419 4.066473 62.52542 3.255690 1.128773 
5.209195 
1 1 1 -16 -19 7  o 47.70696 3.112206  498.5640       60.11990 407.7971       
92.75523 564.3205       78.94856 43.75947 5.048791 51.65445 3.640471 -7.894981 
6.224413 
1 1 1 -16 -19 8  o 40.75223 3.471887  357.8187       58.62446 324.6516       
87.69102 384.6216       78.83008 38.96650 5.360247 42.53796 4.414041 -3.571465 
6.943775 
1 1 1 -16 -19 9  o 76.27847 2.647699  1269.826       79.27729 1127.611       
134.8430 1344.950       98.00423 72.76652 4.413853 79.79042 2.925601 -7.023903 
5.295398 
1 1 1 -16 -19 10 o 45.79843 3.177108  444.1593       59.39891 464.9327       
96.88191 431.6474       75.18845 46.56244 4.955963 45.03442 3.976744 1.528023 
6.354216 
1 1 1 -16 -19 11 o 59.50279 3.287739  732.5286       80.17229 888.8638       
132.0998 641.3665       100.8745 64.27616 4.895233 54.72942 4.390171 9.546741 
6.575477 
1 1 1 -16 -19 12 o 43.13817 3.976765  403.2707       71.59476 428.0969       
108.4322 384.0820       95.32922 44.24585 5.837229 42.03049 5.402350 2.215366 
7.953529 
1 1 1 -16 -19 13 o 29.57641 5.575113  204.0208       69.87868 230.6205       
107.8422 184.7694       91.74473 31.11948 8.155613 28.03334 7.603520 3.086138 
11.15023 
1 1 1 -16 -19 14 o 23.16384 5.900671  110.6097       72.18307 140.6597       
115.1819 91.17532       92.62904 25.02077 8.806010 21.30691 7.856582 3.713861 
11.80134 
1 1 1 -16 -19 15 o 25.97890 6.047778  149.2184       75.22347 219.7096       
124.1723 108.3505       94.54727 29.66284 9.102846 22.29497 7.964964 7.367863 
12.09556 
1 1 1 -16 -19 16 o 28.64596 5.607283  186.2014       71.11205 297.5427       
114.9301 117.1332       90.52003 34.71113 8.038313 22.58080 7.819974 12.13034 
11.21457 
1 1 1 -16 -19 17 o 48.07148 4.901232  593.1872       85.78584 393.0430       
138.9827 716.3708       109.0349 39.19147 8.677159 56.95150 4.560175 -17.76003 
9.802464 
1 1 1 -16 -19 18 o 32.10595 5.837349  268.9385       78.20807 261.1600       
124.5960 273.9958       100.4650 31.12638 9.015877 33.08551 7.417044 -1.959133 
11.67470 
1 1 1 -16 -19 19 o 49.33912 4.086584  573.4620       83.34366 569.7772       
128.7264 576.1215       109.3592 48.70339 6.295489 49.97485 5.212244 -1.271465 
8.173167 
1 1 1 -16 -19 20 o 17.12429 5.464685  6.531818       83.26184 10.45131       
115.0984 2.229118       120.5938 17.11529 7.685512 17.13330 7.770718 
-0.1800346E-01 10.92937 
1 1 1 -16 -18 1  o 24.45609 5.749834  124.2818       70.80962 160.4296       
86.12463 48.87143       124.3947 27.01148 7.385093 21.90069 8.814917 5.110788 
11.49967 
1 1 1 -16 -18 2  o 84.73634 3.071513  1516.426       109.0871 1490.560       
158.1429 1539.906       150.6730 84.03210 4.482553 85.44059 4.200417 -1.408485 
6.143027 
1 1 1 -16 -18 3  o 37.94852 3.828213  301.0173       60.38366 331.6692       
93.69687 279.2437       78.97005 39.56609 5.640570 36.33096 5.177339 3.235134 
7.656426 
1 1 1 -16 -18 4  o 89.11938 2.753356  1701.465       100.7235 1532.466       
155.2577 1824.285       132.3566 85.18622 4.341151 93.05254 3.387961 -7.866318 
5.506712 
1 1 1 -16 -18 5  o 113.2891 2.562801  2681.090       112.3726 2774.544       
204.6318 2640.740       134.4610 114.5862 4.253650 111.9919 2.859766 2.594299 
5.125602 
1 1 1 -16 -18 6  o 121.1918 2.674836  3110.101       133.8517 3055.507       
208.1222 3148.612       174.7985 120.2134 4.123695 122.1702 3.407952 -1.956833 
5.349673 
1 1 1 -16 -18 7  o 92.16070 2.445839  1811.407       93.66008 1569.249       
135.5919 2032.387       129.5269 86.16362 3.748269 98.15778 3.143086 -11.99416 
4.891678 
1 1 1 -16 -18 8  o 83.59232 2.407608  1465.932       83.65025 1547.703       
129.0889 1406.740       109.8297 85.55692 3.593808 81.62770 3.204816 3.929222 
4.815216 
1 1 1 -16 -18 9  o 50.55806 3.089287  550.9492       64.58078 461.8792       
93.98125 630.6356       88.89304 46.56624 4.807189 54.54988 3.881459 -7.983635 
6.178575 
1 1 1 -16 -18 10 o 37.95232 3.609539  308.4131       56.92957 306.3781       
86.70602 309.9551       75.47787 37.78991 5.465055 38.11472 4.716805 
-0.3248138     7.219077 
1 1 1 -16 -18 11 f 29.40107 4.375108  214.3772       54.66918 79.66142       
84.66640 310.7071       71.59491 20.66118 7.521689 38.14096 4.471070 -17.47978 
8.750216 
1 1 1 -16 -18 12 o 65.97653 3.518306  976.1058       91.29134 810.7377       
150.9599 1071.451       114.6266 61.05457 5.889310 70.89849 3.850964 -9.843922 
7.036611 
1 1 1 -16 -18 13 o 17.41421 5.239389  9.229678       67.90874 -20.67173      
100.3210 34.51867       92.25962 16.51476 7.309137 18.31365 7.508749 -1.798891 
10.47878 
1 1 1 -16 -18 14 o 23.05482 5.685018  108.4313       67.31576 150.9771       
105.1777 78.91142       87.60981 25.67097 8.438760 20.43866 7.620043 5.232313 
11.37004 
1 1 1 -16 -18 15 o 19.50236 5.582332  39.20991       69.89590 99.75529       
115.2039 3.940077       87.92826 22.71228 8.669163 16.29243 7.035291 6.419842 
11.16466 
1 1 1 -16 -18 16 o 33.17865 5.725877  272.0240       77.13992 254.0169       
128.9379 282.0623       96.26929 31.72341 9.166061 34.63390 6.864837 -2.910486 
11.45175 
1 1 1 -16 -18 17 f 42.73991 4.688357  421.2965       83.95391 415.4474       
121.9887 426.5596       115.7169 42.32005 6.865853 43.15979 6.386145 
-0.8397408     9.376715 
1 1 1 -16 -18 18 o 28.23947 6.292402  204.8767       87.21326 131.4044       
124.1182 276.5308       122.5727 23.87356 9.031530 32.60538 8.764059 -8.731825 
12.58480 
1 1 1 -16 -18 19 o 22.83817 9.040721  116.8404       128.3948 116.8404       
128.3948 0.000000       0.000000 22.83817 9.040721 ?        ?        ? ? 
1 1 1 -16 -18 20 o 13.00914 6.368129  -168.7474      116.9083 0.000000       
0.000000 -168.7474      116.9083 ?        ?        13.00914 6.368129 ? ? 
1 1 1 -16 -18 21 o 21.05923 6.074421  103.6972       86.73947 59.67070       
127.4145 141.7243       118.4155 19.36918 8.417696 22.74928 8.759952 -3.380093 
12.14884 
1 1 1 -16 -17 1  o 108.3882 3.192539  2479.734       145.2710 2509.591       
205.7161 2450.035       205.1734 109.0418 4.493620 107.7346 4.536143 1.307182 
6.385077 
1 1 1 -16 -17 2  o 56.15837 3.715049  645.1526       86.13298 526.7982       
111.0831 823.5992       136.3986 49.90678 5.301631 62.40996 5.205675 -12.50318 
7.430098 
1 1 1 -16 -17 3  o 124.1544 2.755927  3312.359       135.9454 3045.784       
228.3026 3458.805       169.2160 120.1192 4.527092 128.1896 3.144195 -8.070374 
5.511854 
1 1 1 -16 -17 4  o 62.33883 2.952529  833.5704       75.91072 720.3566       
113.3656 925.5944       102.2073 58.40229 4.623519 66.27537 3.673253 -7.873077 
5.905059 
1 1 1 -16 -17 5  o 17.54747 4.873795  37.61451       52.71981 48.67157       
75.71156 27.20705       73.45383 18.30825 7.016324 16.78668 6.766587 1.521576 
9.747589 
1 1 1 -16 -17 6  o 39.40257 4.223562  349.3736       64.98273 262.1479       
98.50252 416.5876       86.46797 34.42681 7.058020 44.37833 4.640934 -9.951523 
8.447124 
1 1 1 -16 -17 7  f 166.4109 3.394956  5896.831       230.7943 5743.436       
369.2849 5995.148       295.6462 164.4362 5.349153 168.3855 4.182043 -3.949295 
6.789913 
1 1 1 -16 -17 8  o 65.19179 2.786260  896.2552       73.38432 908.4759       
121.9635 889.3203       91.87638 65.47380 4.436937 64.90977 3.371435 0.5640259 
5.572521 
1 1 1 -16 -17 9  o 17.21597 4.896730  27.09888       55.97027 -17.83112      
86.43621 59.54081       73.44817 15.65655 6.867986 18.77540 6.981594 -3.118853 
9.793461 
1 1 1 -16 -17 10 o 44.73299 3.299178  426.2632       61.52539 422.2307       
92.38735 429.4767       82.47414 44.50523 4.944501 44.96074 4.369236 
-0.4555092     6.598357 
1 1 1 -16 -17 11 o 64.09517 2.726853  876.9850       70.97591 850.9557       
115.1735 892.9229       90.12257 63.23137 4.338513 64.95896 3.304574 -1.727592 
5.453706 
1 1 1 -16 -17 12 o 46.22154 3.099713  459.5305       58.61999 439.6585       
92.87914 472.6871       75.57368 45.29177 4.884498 47.15131 3.817665 -1.859543 
6.199427 
1 1 1 -16 -17 13 o 39.47174 3.534162  331.9985       57.93582 270.3158       
78.01188 407.8575       86.51327 35.37474 5.252773 43.56874 4.729648 -8.194004 
7.068323 
1 1 1 -16 -17 14 o 22.37606 5.696223  96.34283       69.54329 138.0559       
101.5003 59.43569       95.47425 24.91107 8.289923 19.84104 7.814410 5.070030 
11.39245 
1 1 1 -16 -17 15 o 57.12180 4.928564  695.1741       109.1517 839.6345       
203.6365 636.9374       129.2944 60.44270 8.024775 53.80090 5.724154 6.641804 
9.857127 
1 1 1 -16 -17 16 o 22.56870 6.632962  66.19226       103.6505 86.99440       
136.2825 37.64811       159.6410 22.96707 9.233803 22.17033 9.524790 0.7967339 
13.26592 
1 1 1 -16 -17 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -17 18 o 42.63425 6.702847  420.6971       119.9767 0.000000       
0.000000 420.6971       119.9767 ?        ?        42.63425 6.702847 ? ? 
1 1 1 -16 -17 19 o 31.48039 6.211684  253.0910       83.46861 292.4365       
134.9079 228.6881       106.2454 33.06570 9.319196 29.89508 8.215393 3.170616 
12.42337 
1 1 1 -16 -17 20 o 23.98494 6.261734  144.4618       82.27962 146.8430       
133.0309 142.9865       104.7101 24.22460 9.295594 23.74528 8.392210 0.4793224 
12.52347 
1 1 1 -16 -17 21 o 26.40033 6.652213  205.7074       91.98183 202.0412       
152.1350 207.8198       115.4790 25.90725 9.940842 26.89340 8.842364 
-0.9861488     13.30443 
1 1 1 -16 -16 1  o 127.6142 5.064968  3142.352       194.3764 3013.677       
209.1848 3955.872       525.9766 119.5332 4.168334 135.6951 9.232583 -16.16192 
10.12994 
1 1 1 -16 -16 2  o 62.87265 3.601127  831.2495       94.54058 795.8427       
126.2214 876.4979       142.6892 61.37214 4.898721 64.37316 5.279677 -3.001026 
7.202254 
1 1 1 -16 -16 3  o 56.12267 3.041743  645.0168       69.10596 736.6746       
117.1373 596.0846       85.58704 59.06249 4.723943 53.18284 3.833165 5.879646 
6.083485 
1 1 1 -16 -16 4  o 58.41675 2.995157  712.1096       71.21455 750.8565       
117.3179 689.5020       89.61353 59.62980 4.686214 57.20370 3.731389 2.426098 
5.990314 
1 1 1 -16 -16 5  o 91.90948 2.634648  1786.661       93.87952 1763.146       
168.4685 1797.251       113.0611 91.39984 4.390303 92.41914 2.913885 -1.019295 
5.269296 
1 1 1 -16 -16 6  o 143.9344 2.882007  4400.689       166.2574 4268.883       
278.2272 4473.894       207.3488 142.1348 4.662515 145.7339 3.388926 -3.599060 
5.764015 
1 1 1 -16 -16 7  o 104.6018 2.519816  2256.844       105.1201 2465.792       
182.8634 2153.716       128.4688 108.0747 4.030175 101.1290 3.025819 6.945694 
5.039632 
1 1 1 -16 -16 8  o 97.09660 2.441616  2034.604       95.51574 1811.428       
154.0258 2174.056       121.7536 92.59532 3.962099 101.5979 2.854422 -9.002563 
4.883232 
1 1 1 -16 -16 9  o 50.46727 3.217155  516.7732       66.57205 657.9072       
109.4055 433.7929       83.89014 55.68891 4.679415 45.24563 4.416268 10.44328 
6.434310 
1 1 1 -16 -16 10 o 32.63074 4.661977  239.5711       61.46851 201.1324       
95.58431 266.6775       80.26728 29.90572 7.595704 35.35578 5.407534 -5.450062 
9.323955 
1 1 1 -16 -16 11 o 94.21594 2.574369  1852.383       100.2484 2027.127       
158.9259 1736.906       129.1933 97.80213 3.870504 90.62975 3.395395 7.172386 
5.148739 
1 1 1 -16 -16 12 o 47.73576 4.050067  464.0145       78.58314 600.3586       
133.1776 391.1861       97.33377 52.77084 6.011161 42.70068 5.429376 10.07016 
8.100134 
1 1 1 -16 -16 13 o 65.90332 3.741315  929.8878       95.58990 947.0444       
172.4410 922.2772       114.8511 66.03143 6.220296 65.77522 4.159047 0.2562103 
7.482630 
1 1 1 -16 -16 14 o 36.90931 5.996724  311.8998       90.49181 263.6108       
118.7308 378.8279       139.7796 33.54211 8.433519 40.27650 8.527516 -6.734386 
11.99345 
1 1 1 -16 -16 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -16 16 o 72.91547 4.274164  1127.275       125.4626 1359.695       
216.9568 1010.500       153.7841 77.92918 6.631232 67.90174 5.394505 10.02744 
8.548328 
1 1 1 -16 -16 17 o 41.72547 5.871167  393.3571       93.72139 505.0288       
168.8225 343.6094       112.6795 45.22689 9.210646 38.22406 7.283297 7.002834 
11.74233 
1 1 1 -16 -16 18 o 36.77514 5.839862  367.8291       87.65202 214.9103       
153.7023 441.5270       106.7032 29.15021 10.18084 44.40006 5.724203 -15.24985 
11.67972 
1 1 1 -16 -16 19 o 23.36333 6.102313  120.3357       77.06444 143.5266       
126.5051 106.6512       97.17702 24.75889 9.171343 21.96777 8.052290 2.791121 
12.20463 
1 1 1 -16 -16 20 o 45.38942 4.916094  453.1183       86.85345 730.9656       
145.4808 299.2437       108.2645 56.18031 6.167974 34.59853 7.656893 21.58178 
9.832188 
1 1 1 -16 -16 21 o 22.76895 6.326759  122.8124       88.22909 123.5846       
131.2784 122.1763       119.1509 22.92791 9.121016 22.60999 8.770325 0.3179207 
12.65352 
1 1 1 -16 -16 22 o 30.23792 6.600932  231.1696       93.59287 458.6192       
164.6716 122.6355       113.7521 38.61525 10.05846 21.86059 8.550828 16.75466 
13.20186 
1 1 1 -16 -15 1  o 32.85572 7.557148  223.7424       115.5625 218.3910       
142.8637 233.8719       196.5530 31.79514 9.765330 33.91631 11.53604 -2.121166 
15.11430 
1 1 1 -16 -15 2  o 69.41882 5.220004  1041.752       149.4066 1131.451       
199.2835 926.6230       225.7728 72.99573 6.502717 65.84191 8.167521 7.153816 
10.44001 
1 1 1 -16 -15 3  o 96.07362 4.211805  1929.052       166.3764 2088.739       
267.8188 1828.695       212.3150 99.18907 6.431293 92.95817 5.440192 6.230904 
8.423611 
1 1 1 -16 -15 4  o 61.50060 2.943992  796.7615       75.67628 698.2865       
104.8925 903.6619       109.2876 57.52941 4.342857 65.47178 3.975922 -7.942368 
5.887985 
1 1 1 -16 -15 5  o 33.97707 4.631006  241.5909       64.14017 332.2060       
99.84025 177.9114       83.69608 39.58853 6.006996 28.36562 7.049884 11.22291 
9.262012 
1 1 1 -16 -15 6  f 37.70850 4.113836  297.2448       64.68625 343.3097       
98.29709 262.0587       85.90952 40.25063 5.816866 35.16637 5.818820 5.084263 
8.227673 
1 1 1 -16 -15 7  o 47.61578 3.502529  488.3732       68.35501 599.8661       
95.72030 372.3500       97.64563 53.30966 4.276803 41.92191 5.547954 11.38775 
7.005057 
1 1 1 -16 -15 8  o 59.18613 3.382663  735.1358       83.70452 660.7821       
112.8024 826.2448       124.8670 55.88065 4.808148 62.49162 4.759344 -6.610970 
6.765326 
1 1 1 -16 -15 9  o 145.5227 4.055419  4555.519       226.1413 4380.886       
410.8395 4631.429       270.8680 143.0884 6.838941 147.9570 4.360570 -4.868576 
8.110838 
1 1 1 -16 -15 10 o 66.79060 3.577452  920.0876       93.41890 1025.205       
169.6527 874.3446       111.9141 69.31216 5.830051 64.26904 4.147668 5.043114 
7.154904 
1 1 1 -16 -15 11 o 51.91068 4.037741  559.9711       79.68649 614.4375       
151.4552 539.1220       93.70487 53.42083 6.752967 50.40053 4.428413 3.020298 
8.075481 
1 1 1 -16 -15 12 o 140.6952 6.845111  4282.054       404.3326 4282.054       
404.3326 0.000000       0.000000 140.6952 6.845111 ?        ?        ? ? 
1 1 1 -16 -15 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -15 14 o 98.51039 3.402233  2052.885       133.0548 2166.709       
231.5935 1996.804       162.5610 100.2025 5.505148 96.81831 3.999262 3.384163 
6.804466 
1 1 1 -16 -15 15 o 42.68427 4.686565  377.9071       79.35770 546.2854       
133.6040 286.1177       98.64446 49.89316 6.378221 35.47539 6.868325 14.41777 
9.373131 
1 1 1 -16 -15 16 o 83.77679 3.590316  1522.847       114.5424 1524.782       
211.8811 1522.047       136.1523 83.22459 6.064032 84.32899 3.845645 -1.104393 
7.180632 
1 1 1 -16 -15 17 o 72.88364 4.318600  1052.015       118.4521 1491.502       
239.4185 909.5721       136.3029 81.20989 7.022146 64.55738 5.028986 16.65251 
8.637200 
1 1 1 -16 -15 18 f 27.87751 6.380478  196.5535       87.16717 110.2651       
159.8814 233.0504       103.9801 24.75421 9.981035 31.00081 7.951160 -6.246599 
12.76096 
1 1 1 -16 -15 19 o 17.76541 5.706457  -28.60374      86.11665 -40.13916      
157.2288 -23.66017      102.9285 19.32702 8.795981 16.20379 7.272230 3.123234 
11.41291 
1 1 1 -16 -15 20 o 20.51077 5.810990  48.33380       79.13938 148.4175       
123.2497 -21.87988      103.2321 24.87756 9.073315 16.14398 7.262601 8.733587 
11.62198 
1 1 1 -16 -15 21 o 37.79928 5.643444  404.2296       91.14105 178.7078       
142.6957 559.6241       118.4498 26.21197 9.734379 49.38659 5.712767 -23.17462 
11.28689 
1 1 1 -16 -15 22 o 29.19766 6.484179  247.6564       98.26875 121.9630       
146.8529 349.5782       132.2391 22.90143 9.445544 35.49389 8.885942 -12.59247 
12.96836 
1 1 1 -16 -15 23 f 29.71337 6.402461  272.7557       101.9774 104.4959       
153.5605 405.5028       136.3961 21.69214 9.331259 37.73461 8.768901 -16.04247 
12.80492 
1 1 1 -16 -14 1  f 156.6327 6.748032  5256.059       443.1342 5110.339       
607.8491 5421.354       647.3910 154.3777 9.378478 158.8877 9.705045 -4.509995 
13.49606 
1 1 1 -16 -14 2  o 31.28953 7.614744  195.8332       121.9509 233.4510       
158.7794 141.7215       190.4332 32.96999 10.32926 29.60907 11.19123 3.360920 
15.22949 
1 1 1 -16 -14 3  o 36.04933 6.594502  282.8919       98.49502 323.4636       
159.5070 257.8877       125.2204 38.04546 9.894548 34.05320 8.720536 3.992264 
13.18900 
1 1 1 -16 -14 4  o 126.0893 4.816751  3273.032       204.1733 3562.130       
464.1602 3203.674       227.3497 128.9680 8.572490 123.2106 4.395085 5.757385 
9.633501 
1 1 1 -16 -14 5  o 65.81270 3.931553  889.5602       102.7884 1000.416       
181.2800 837.0308       124.7875 68.66863 6.288002 62.95676 4.721173 5.711868 
7.863106 
1 1 1 -16 -14 6  o 168.9227 6.353546  6056.945       396.4214 6256.548       
777.4118 5986.807       460.8376 169.9346 10.89658 167.9108 6.537178 2.023804 
12.70709 
1 1 1 -16 -14 7  o 152.6981 5.514475  5040.800       310.0542 4843.087       
600.1843 5112.772       362.1165 149.9997 9.530490 155.3965 5.550450 -5.396759 
11.02895 
1 1 1 -16 -14 8  o 62.42790 4.577767  819.5688       117.5862 872.5350       
188.2663 785.6918       150.5652 63.99659 7.007075 60.85922 5.892766 3.137363 
9.155534 
1 1 1 -16 -14 9  o 104.9565 4.519189  2317.583       183.5190 2418.911       
334.6825 2274.017       219.4529 106.2960 7.499581 103.6169 5.044658 2.679108 
9.038379 
1 1 1 -16 -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -14 11 o 70.25790 5.393075  1051.231       159.0782 0.000000       
0.000000 1051.231       159.0782 ?        ?        70.25790 5.393075 ? ? 
1 1 1 -16 -14 12 o 26.64552 5.458277  156.3329       73.27486 31.61463       
112.9254 247.0335       96.30126 20.07591 8.281989 33.21513 7.111948 -13.13923 
10.91655 
1 1 1 -16 -14 13 o 157.5826 4.573318  5384.634       268.3601 5298.409       
512.7634 5417.161       314.9355 155.6987 7.844277 159.4664 4.704067 -3.767624 
9.146635 
1 1 1 -16 -14 14 o 25.32135 6.058579  126.9290       74.09676 173.8594       
125.3913 101.7485       91.84863 28.13070 9.214051 22.51200 7.869357 5.618694 
12.11716 
1 1 1 -16 -14 15 o 53.95827 4.166704  650.4396       86.51553 580.7410       
152.2649 683.6690       105.1353 51.37939 7.058818 56.53716 4.429308 -5.157764 
8.333407 
1 1 1 -16 -14 16 o 38.57780 5.072057  309.7966       81.90780 648.3480       
132.2256 98.99761       104.3368 54.52455 5.776233 22.63105 8.338957 31.89350 
10.14411 
1 1 1 -16 -14 17 o 36.19576 5.611773  313.8401       82.55172 269.6012       
125.2539 347.8142       109.7650 33.46646 8.798012 38.92506 6.968715 -5.458603 
11.22355 
1 1 1 -16 -14 18 o 30.91603 6.568018  176.6193       94.17856 417.2689       
170.8463 71.57068       112.8777 40.62836 10.05700 21.20370 8.450579 19.42466 
13.13604 
1 1 1 -16 -14 19 o 31.01960 6.153303  143.3701       92.97813 496.6504       
172.6461 -0.9508258     110.3473 44.33305 9.548779 17.70615 7.763591 26.62689 
12.30661 
1 1 1 -16 -14 20 o 17.66524 5.656922  -33.09276      90.63825 -157.8458      
163.2765 22.47470       108.9704 16.96832 8.120010 18.36216 7.878356 -1.393841 
11.31384 
1 1 1 -16 -14 21 o 24.28034 6.308981  121.7994       90.27367 226.9003       
132.5574 30.89604       123.2794 29.23874 9.471625 19.32193 8.336743 9.916813 
12.61796 
1 1 1 -16 -14 22 o 23.95206 6.573514  135.1490       97.10206 82.26838       
141.1031 182.7197       133.8313 21.71597 9.125373 26.18815 9.464245 -4.472181 
13.14703 
1 1 1 -16 -14 23 o 20.29858 6.258391  60.27829       101.4453 21.41256       
147.6617 95.01977       139.6075 19.20451 8.660107 21.39265 9.037278 -2.188141 
12.51678 
1 1 1 -16 -13 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -13 9  o 145.5194 6.765877  4507.883       413.3558 0.000000       
0.000000 4507.883       413.3558 ?        ?        145.5194 6.765877 ? ? 
1 1 1 -16 -13 10 o 143.1209 4.351156  4294.630       236.6815 4511.624       
445.8200 4209.471       279.2897 145.2012 7.313251 141.0406 4.716629 4.160538 
8.702312 
1 1 1 -16 -13 11 o 129.8164 5.017566  3587.975       214.7131 3657.966       
491.8757 3571.499       238.6509 129.7337 9.030749 129.8991 4.376009 
-0.1654053     10.03513 
1 1 1 -16 -13 12 o 136.2347 4.581186  3941.341       228.4226 4060.382       
453.9512 3900.981       264.3239 136.8986 7.898256 135.5708 4.643989 1.327774 
9.162373 
1 1 1 -16 -13 13 o 61.81348 3.436606  808.8596       86.67157 832.3285       
141.0451 794.6210       109.8610 62.43321 5.381004 61.19374 4.276196 1.239471 
6.873213 
1 1 1 -16 -13 14 o 37.98385 5.376113  316.5867       81.63974 378.2589       
129.6382 276.0535       105.0979 40.98096 7.815300 34.98674 7.384542 5.994213 
10.75223 
1 1 1 -16 -13 15 o 18.99135 5.699019  -27.79549      78.99640 90.71144       
134.0063 -90.91042      97.79564 23.89900 9.294675 14.08370 6.597294 9.815306 
11.39804 
1 1 1 -16 -13 16 o 35.85014 5.546278  288.7028       80.06620 344.4135       
127.0603 252.0120       103.1144 38.60675 8.098030 33.09352 7.580678 5.513222 
11.09256 
1 1 1 -16 -13 17 o 18.15849 5.540329  -11.70074      76.31140 52.50104       
122.9301 -51.95264      97.33696 21.18670 8.673852 15.13029 6.895309 6.056415 
11.08066 
1 1 1 -16 -13 18 o 52.74384 4.069572  579.8527       86.12755 725.3938       
150.8430 509.4535       104.9098 57.15834 6.285886 48.32934 5.170425 8.829006 
8.139144 
1 1 1 -16 -13 19 o 62.30978 4.808592  863.4967       118.9476 931.3972       
207.0725 830.0585       145.3138 63.39555 7.780091 61.22400 5.653355 2.171551 
9.617185 
1 1 1 -16 -13 20 o 52.83546 5.850794  685.4753       113.8303 628.4040       
203.1465 711.5955       137.4321 49.32456 10.15756 56.34635 5.809565 -7.021790 
11.70159 
1 1 1 -16 -13 21 o 29.58615 6.524879  227.5426       101.8414 76.47626       
155.9627 339.8372       134.4672 22.74404 9.577319 36.42826 8.864038 -13.68421 
13.04976 
1 1 1 -16 -13 22 o 20.75831 6.148913  63.85627       90.12383 53.30207       
125.4546 75.11132       129.5529 20.21654 8.554996 21.30009 8.834511 -1.083557 
12.29783 
1 1 1 -16 -13 23 o 27.16114 6.627256  202.2579       97.10143 279.6698       
134.5807 118.2007       140.2383 31.42643 9.443417 22.89585 9.300751 8.530575 
13.25451 
1 1 1 -16 -13 24 o 25.99112 6.584033  200.4240       90.70753 194.4712       
119.8831 208.3957       138.7306 25.78905 8.992788 26.19318 9.619133 
-0.4041252     13.16807 
1 1 1 -16 -12 1  o 86.45598 5.180584  1614.703       181.9885 1716.800       
234.4296 1459.857       288.7062 90.08873 6.198163 82.82323 8.302807 7.265495 
10.36117 
1 1 1 -16 -12 2  o 42.10732 9.923912  395.0246       172.7695 395.0246       
172.7695 0.000000       0.000000 42.10732 9.923912 ?        ?        ? ? 
1 1 1 -16 -12 3  o 40.68820 10.23281  369.8723       174.7650 0.000000       
0.000000 369.8723       174.7650 ?        ?        40.68820 10.23281 ? ? 
1 1 1 -16 -12 4  o 109.9871 7.192132  2572.945       332.1073 0.000000       
0.000000 2572.945       332.1073 ?        ?        109.9871 7.192132 ? ? 
1 1 1 -16 -12 5  o 171.6573 7.673682  6283.951       553.0255 0.000000       
0.000000 6283.951       553.0255 ?        ?        171.6573 7.673682 ? ? 
1 1 1 -16 -12 6  o 228.3492 11.89324  11371.96       1140.193 0.000000       
0.000000 11371.96       1140.193 ?        ?        228.3492 11.89324 ? ? 
1 1 1 -16 -12 7  o 58.91021 4.198526  729.6003       92.90864 748.5792       
177.4889 722.4371       109.0414 59.31126 7.127795 58.50915 4.439036 0.8021164 
8.397053 
1 1 1 -16 -12 8  o 157.2537 5.353957  5230.923       310.0790 5357.516       
610.1361 5186.841       360.0415 157.9525 9.200706 156.5548 5.477813 1.397720 
10.70791 
1 1 1 -16 -12 9  o 102.5400 4.296344  2238.537       159.8535 2213.644       
319.1345 2246.875       184.6935 101.8879 7.460577 103.1921 4.263106 -1.304276 
8.592688 
1 1 1 -16 -12 10 o 74.43842 3.890718  1233.981       108.6396 1035.573       
196.7891 1320.959       130.2940 69.74176 6.720927 79.13508 3.921719 -9.393318 
7.781435 
1 1 1 -16 -12 11 o 89.95152 3.760652  1739.028       129.0624 1661.901       
235.9227 1771.967       154.1785 88.30437 6.363685 91.59866 4.009181 -3.294296 
7.521304 
1 1 1 -16 -12 12 o 79.55360 3.686448  1341.114       112.7331 1354.368       
206.3361 1335.474       134.5982 79.63859 6.171245 79.46861 4.034269 0.1699829 
7.372895 
1 1 1 -16 -12 13 o 107.1382 4.199378  2336.776       167.5354 2716.637       
333.5155 2208.573       193.7554 112.2624 7.076246 102.0140 4.523921 10.24835 
8.398757 
1 1 1 -16 -12 14 o 34.40109 5.957840  259.3796       81.52199 301.0031       
142.4391 239.1038       99.41411 36.22250 9.315437 32.57967 7.430078 3.642830 
11.91568 
1 1 1 -16 -12 15 o 52.21688 4.490849  537.5396       93.63612 777.7621       
166.9670 427.3262       113.0943 59.90892 6.638351 44.52485 6.050056 15.38406 
8.981698 
1 1 1 -16 -12 16 o 25.45547 5.841493  143.8615       76.46735 45.78437       
127.9807 198.3138       95.36062 21.47827 8.831249 29.43267 7.648608 -7.954409 
11.68299 
1 1 1 -16 -12 17 o 28.90779 6.080530  199.6787       81.71693 125.5162       
133.8865 243.7075       103.1603 25.36822 9.427505 32.44737 7.682026 -7.079153 
12.16106 
1 1 1 -16 -12 18 o 42.43575 5.072448  399.4551       86.02805 448.0400       
141.0034 370.6462       108.5782 43.89869 7.942127 40.97279 6.312016 2.925900 
10.14490 
1 1 1 -16 -12 19 o 82.58408 3.682507  1467.391       122.1160 1576.941       
208.0473 1409.809       150.8324 84.44739 5.868093 80.72078 4.450720 3.726608 
7.365014 
1 1 1 -16 -12 20 o 24.07024 6.775608  98.89980       101.4890 151.0912       
160.4594 64.09927       131.0264 26.50025 10.19866 21.64024 8.923157 4.860010 
13.55122 
1 1 1 -16 -12 21 o 35.10529 7.108256  320.8944       106.5406 340.5497       
182.4646 310.7267       131.2355 35.20232 11.08174 35.00826 8.905297 0.1940613 
14.21651 
1 1 1 -16 -12 22 f 41.40829 5.588533  422.2664       93.50101 401.1945       
128.5099 445.9682       136.2939 40.31283 7.873896 42.50376 7.932752 -2.190929 
11.17707 
1 1 1 -16 -12 23 o 42.58334 5.277018  440.0737       91.57233 367.8083       
122.9830 529.9908       137.1833 38.07695 7.952241 47.08973 6.938988 -9.012772 
10.55404 
1 1 1 -16 -12 24 o 20.92958 6.120764  84.59856       87.05546 52.86689       
114.6714 127.7665       133.7486 19.03114 8.120771 22.82802 9.160135 -3.796879 
12.24153 
1 1 1 -16 -12 25 o 28.53268 6.624638  251.0675       92.66667 271.4588       
123.4097 224.7081       140.3123 30.23404 9.034504 26.83132 9.691287 3.402716 
13.24928 
1 1 1 -16 -11 1  o 141.6554 7.109628  4251.044       422.8233 0.000000       
0.000000 4251.044       422.8233 ?        ?        141.6554 7.109628 ? ? 
1 1 1 -16 -11 2  o 167.9612 6.747862  5902.282       439.6615 6362.409       
803.7706 5705.828       525.1989 171.9975 11.13092 163.9248 7.631330 8.072723 
13.49572 
1 1 1 -16 -11 3  o 59.69123 4.325880  763.2233       104.6704 716.7914       
169.0699 792.0798       133.2845 58.13338 6.927264 61.24907 5.183240 -3.115692 
8.651760 
1 1 1 -16 -11 4  o 90.92383 4.169707  1727.803       146.4769 1805.921       
268.1029 1694.563       174.8853 92.22970 6.923916 89.61795 4.648141 2.611748 
8.339415 
1 1 1 -16 -11 5  o 85.98145 3.853987  1586.069       122.6469 1515.765       
235.6133 1612.199       143.6423 84.49802 6.641624 87.46487 3.911738 -2.966850 
7.707974 
1 1 1 -16 -11 6  o 32.55466 5.745862  264.6512       79.46663 98.87899       
154.7642 324.0061       92.60678 25.99061 10.01323 39.11870 5.638706 -13.12809 
11.49172 
1 1 1 -16 -11 7  o 138.8804 5.266015  4090.951       250.5035 4144.364       
545.4180 4076.671       282.0072 138.8493 9.356356 138.9114 4.835522 
-0.6207275E-01 10.53203 
1 1 1 -16 -11 8  o 108.2250 4.340296  2530.745       170.4558 2388.602       
336.1552 2579.943       197.7670 105.8585 7.563716 110.5915 4.259447 -4.732994 
8.680593 
1 1 1 -16 -11 9  o 20.49815 6.090156  -7.837152      83.37040 82.01242       
151.7531 -46.67881      99.77652 25.08202 9.860393 15.91427 7.150711 9.167745 
12.18031 
1 1 1 -16 -11 10 o 79.98153 4.089159  1427.877       124.6854 1172.581       
218.2782 1551.525       151.9081 74.21260 7.005735 85.75046 4.219543 -11.53786 
8.178317 
1 1 1 -16 -11 11 o 88.34184 3.424428  1635.217       120.3616 1700.150       
208.0986 1602.575       147.5450 89.54301 5.535521 87.14067 4.032967 2.402344 
6.848855 
1 1 1 -16 -11 12 o 127.7014 4.552243  3457.893       208.5111 3521.804       
426.0895 3437.769       239.0958 127.9358 7.932859 127.4669 4.467820 0.4689331 
9.104486 
1 1 1 -16 -11 13 o 71.78020 3.818291  1119.840       110.6993 1003.125       
177.6106 1193.981       141.5579 68.50464 6.175468 75.05576 4.492325 -6.551117 
7.636582 
1 1 1 -16 -11 14 o 81.04316 3.714625  1428.522       121.1614 1291.338       
196.5479 1512.604       153.8759 77.64484 6.029439 84.44148 4.340462 -6.796646 
7.429249 
1 1 1 -16 -11 15 o 26.79459 5.968248  123.5617       80.00517 268.2181       
130.0959 35.58080       101.4586 34.22658 8.951984 19.36259 7.895689 14.86398 
11.93650 
1 1 1 -16 -11 16 o 75.64790 3.785913  1233.040       112.5546 1213.862       
196.3727 1242.423       137.3560 74.90937 6.244045 76.38642 4.283044 -1.477051 
7.571827 
1 1 1 -16 -11 17 o 63.25273 4.228631  882.3092       101.8891 833.6572       
185.4442 903.3469       121.9443 61.52260 7.179591 64.98286 4.469757 -3.460255 
8.457261 
1 1 1 -16 -11 18 o 56.76710 4.187767  711.2494       94.55754 679.7888       
159.4737 728.3070       117.4263 55.41040 6.855180 58.12379 4.812074 -2.713398 
8.375533 
1 1 1 -16 -11 19 o 53.16460 4.487670  628.4889       98.27261 615.7659       
153.3792 637.3492       127.9962 52.41561 6.969903 53.91359 5.654837 -1.497978 
8.975340 
1 1 1 -16 -11 20 o 55.52520 3.973582  672.0798       90.38255 721.6815       
146.5887 641.6580       114.8009 56.89109 6.137300 54.15932 5.048858 2.731766 
7.947164 
1 1 1 -16 -11 21 o 22.26349 6.059432  82.89486       80.02970 37.04835       
102.7256 153.6881       127.6502 18.76453 7.830001 25.76245 9.249752 -6.997927 
12.11886 
1 1 1 -16 -11 22 o 30.49494 6.392303  229.6214       92.24660 136.5375       
124.8286 341.6136       136.9212 24.46018 9.100435 36.52969 8.979321 -12.06951 
12.78461 
1 1 1 -16 -11 23 o 34.78593 5.602435  319.0112       91.61950 505.4289       
125.7407 108.0225       133.7709 46.62355 6.423792 22.94831 9.180632 23.67525 
11.20487 
1 1 1 -16 -11 24 o 60.22620 3.937328  825.5209       98.80064 756.2015       
130.2971 919.2968       151.5491 57.44415 5.402689 63.00824 5.728976 -5.564098 
7.874656 
1 1 1 -16 -11 25 o 35.67451 5.981976  362.7880       94.28761 479.7822       
130.5014 235.0194       136.3782 43.54770 7.137912 27.80132 9.601373 15.74638 
11.96395 
1 1 1 -16 -10 1  o 27.23324 6.979153  128.8003       105.0228 67.50587       
158.2800 177.0122       140.3759 24.98133 9.989491 29.48515 9.749070 -4.503815 
13.95831 
1 1 1 -16 -10 2  o 99.39394 5.724461  2099.838       238.6243 2133.106       
331.5801 2064.097       343.6762 100.2420 7.878798 98.54591 8.306765 1.696045 
11.44892 
1 1 1 -16 -10 3  o 65.75707 7.205406  917.0441       198.9206 917.0441       
198.9206 0.000000       0.000000 65.75707 7.205406 ?        ?        ? ? 
1 1 1 -16 -10 4  o 72.56073 3.877021  1098.322       107.9273 1147.478       
200.0106 1078.128       128.1925 73.59822 6.473017 71.52323 4.269101 2.074989 
7.754042 
1 1 1 -16 -10 5  o 141.3130 5.549590  4179.886       253.2969 4371.637       
600.4977 4138.385       279.3665 142.5975 10.03045 140.0284 4.752029 2.569061 
11.09918 
1 1 1 -16 -10 6  o 84.70721 3.974616  1479.897       123.8614 1599.659       
247.6021 1439.924       143.0461 86.77505 6.796426 82.63937 4.122969 4.135681 
7.949232 
1 1 1 -16 -10 7  o 87.41460 3.912957  1522.981       122.3470 1801.593       
260.2467 1443.934       138.6206 92.07204 6.732533 82.75717 3.989728 9.314865 
7.825914 
1 1 1 -16 -10 8  o 43.95594 5.526311  424.6290       90.99361 407.8605       
164.8154 431.9811       109.1336 42.75197 9.435467 45.15990 5.756076 -2.407936 
11.05262 
1 1 1 -16 -10 9  o 159.9087 5.756082  5238.202       290.6128 5815.497       
718.8305 5125.409       317.7372 164.0549 10.43659 155.7626 4.858765 8.292267 
11.51216 
1 1 1 -16 -10 10 o 23.37640 6.471855  74.90378       86.47101 51.92682       
162.0390 84.05232       102.2467 24.44300 9.974629 22.30980 8.249022 2.133205 
12.94371 
1 1 1 -16 -10 11 o 215.9811 6.920238  10261.87       556.9401 9642.645       
1049.745 10504.45       657.0365 209.9103 11.91162 222.0519 7.047842 -12.14156 
13.84048 
1 1 1 -16 -10 12 o 33.73854 6.661774  246.6747       89.91555 258.7826       
175.7868 242.3843       104.6404 34.48001 10.88115 32.99707 7.688796 1.482941 
13.32355 
1 1 1 -16 -10 13 o 101.8741 4.393079  2329.580       158.7684 1993.235       
314.4373 2444.676       183.9382 96.21129 7.784472 107.5370 4.074134 -11.32568 
8.786158 
1 1 1 -16 -10 14 o 99.19253 3.635452  2094.658       144.7894 2088.265       
242.8872 2098.182       180.3337 98.88041 5.850803 99.50465 4.316728 
-0.6242371     7.270904 
1 1 1 -16 -10 15 o 77.88634 3.455217  1304.191       109.5281 1236.692       
175.5439 1347.218       140.1556 76.07547 5.496194 79.69722 4.188787 -3.621750 
6.910434 
1 1 1 -16 -10 16 o 87.67918 3.647191  1661.821       128.1153 1580.838       
213.1075 1707.654       160.3214 85.73316 5.920671 89.62521 4.260713 -3.892052 
7.294382 
1 1 1 -16 -10 17 o 37.28217 5.477283  272.8456       84.50100 524.2664       
144.6177 142.5080       104.1251 48.95860 7.035799 25.60574 8.396429 23.35285 
10.95457 
1 1 1 -16 -10 18 f 24.11941 5.833037  58.35045       81.90190 252.1266       
132.9473 -60.17117      103.9748 32.70613 9.261998 15.53268 7.093143 17.17345 
11.66607 
1 1 1 -16 -10 19 o 71.04165 3.195109  1091.713       94.75487 975.6583       
135.4247 1203.020       132.6264 67.21137 4.799280 74.87193 4.219219 -7.660553 
6.390218 
1 1 1 -16 -10 20 o 33.70683 5.412126  268.5730       75.28097 319.1173       
107.3466 219.6587       105.6015 37.08735 7.149343 30.32630 8.127196 6.761049 
10.82425 
1 1 1 -16 -10 21 o 23.94073 5.930326  125.7065       75.08079 86.76658       
105.6660 165.4140       106.7022 21.52929 8.278108 26.35217 8.493998 -4.822880 
11.86065 
1 1 1 -16 -10 22 o 19.54190 5.660768  41.22659       76.69060 -12.92949      
106.6166 99.29016       110.3959 16.89952 7.500113 22.18430 8.480889 -5.284781 
11.32154 
1 1 1 -16 -10 23 o 64.79981 4.215532  947.5748       114.0834 833.9861       
153.5171 1087.670       170.4910 60.42686 6.051289 69.17277 5.870667 -8.745911 
8.431064 
1 1 1 -16 -10 24 o 59.61428 3.979497  807.6055       99.19022 715.6379       
135.1610 914.9440       146.0198 55.83688 5.765692 63.39169 5.486563 -7.554817 
7.958993 
1 1 1 -16 -10 25 o 55.27293 4.422308  727.5978       101.6433 609.4651       
139.9725 859.3848       147.8405 50.09396 6.655467 60.45190 5.825117 -10.35794 
8.844616 
1 1 1 -16 -10 26 o 32.91975 6.321943  328.4839       94.35916 408.5016       
127.1991 230.5656       140.7093 38.69175 8.092462 27.14775 9.714933 11.54401 
12.64389 
1 1 1 -16 -9  1  o 169.8826 5.465996  6017.015       370.2189 6423.458       
641.0529 5813.618       453.4892 173.8921 8.780819 165.8731 6.511964 8.019028 
10.93199 
1 1 1 -16 -9  2  o 130.6725 4.405084  3600.764       238.9507 3561.072       
314.4116 3655.039       367.6554 129.8826 5.765920 131.4624 6.661322 -1.579788 
8.810167 
1 1 1 -16 -9  3  o 139.8976 5.462848  4146.402       270.8922 4166.182       
561.7604 4140.409       309.2200 139.7078 9.577483 140.0873 5.257628 
-0.3794556     10.92570 
1 1 1 -16 -9  4  o 176.3218 5.984650  6573.437       443.0204 0.000000       
0.000000 6573.437       443.0204 ?        ?        176.3218 5.984650 ? ? 
1 1 1 -16 -9  5  o 83.77571 3.811419  1469.617       124.1366 1517.969       
224.0961 1448.212       149.1032 84.66142 6.304779 82.89000 4.284558 1.771416 
7.622838 
1 1 1 -16 -9  6  o 126.4820 4.862724  3305.589       200.3786 3545.159       
473.0599 3253.207       221.2029 128.7491 8.751712 124.2148 4.241686 4.534286 
9.725449 
1 1 1 -16 -9  7  o 61.93564 4.659051  827.4464       101.5872 790.4578       
209.9388 838.7553       116.0826 60.82093 8.221683 63.05035 4.385314 -2.229416 
9.318103 
1 1 1 -16 -9  8  o 101.2622 4.373762  2167.942       154.9077 2188.224       
327.7498 2162.109       175.7806 101.2744 7.708389 101.2500 4.135205 
0.2445221E-01  8.747524 
1 1 1 -16 -9  9  o 114.6015 4.235311  2736.419       181.7667 2889.184       
351.3604 2680.596       212.3962 116.5067 7.183281 112.6964 4.489088 3.810387 
8.470622 
1 1 1 -16 -9  10 o 195.4112 7.330017  8250.821       470.3376 8240.432       
1075.283 8253.279       523.0257 193.5995 13.22938 197.2228 6.316651 -3.623352 
14.66003 
1 1 1 -16 -9  11 o 39.22573 5.345481  345.0186       84.34042 277.3696       
129.0879 395.4050       111.4066 35.28077 8.747259 43.17069 6.146716 -7.889915 
10.69096 
1 1 1 -16 -9  12 o 86.56728 3.756837  1674.894       125.9431 1335.426       
212.2682 1859.320       156.4576 79.25362 6.379502 93.88092 3.969541 -14.62730 
7.513675 
1 1 1 -16 -9  13 o 30.97981 6.541610  216.2899       86.88676 160.1098       
171.4108 235.7161       100.7956 29.42687 10.70337 32.53275 7.523861 -3.105875 
13.08322 
1 1 1 -16 -9  14 o 179.9377 5.259079  6916.059       351.2393 7085.679       
681.8420 6854.791       409.7948 180.3877 9.003222 179.4877 5.438169 0.8999634 
10.51816 
1 1 1 -16 -9  15 o 131.7378 4.111708  3708.740       220.5132 3716.923       
358.4655 3703.758       279.6960 131.5612 6.489939 131.9145 5.050273 
-0.3532410     8.223415 
1 1 1 -16 -9  16 o 150.6320 5.040382  4962.415       304.5236 4751.620       
505.4729 5082.512       381.5346 147.3580 8.170438 153.9060 5.904723 -6.548019 
10.08076 
1 1 1 -16 -9  17 o 27.73815 6.461032  167.1809       85.28609 156.7346       
143.8844 172.8391       105.8937 27.71479 9.833304 27.76151 8.383666 
-0.4671860E-01 12.92206 
1 1 1 -16 -9  18 o 65.76628 3.251140  924.0213       89.16785 940.6516       
134.5653 911.0029       119.0585 66.22444 4.839892 65.30813 4.342246 0.9163132 
6.502281 
1 1 1 -16 -9  19 o 50.54695 3.951076  556.6689       82.95818 459.5527       
115.6491 659.6100       119.0667 45.85893 6.006748 55.23497 5.134490 -9.376038 
7.902153 
1 1 1 -16 -9  20 o 45.18036 4.229433  449.7460       80.16344 463.3386       
112.5219 435.7365       114.2340 45.92459 5.835965 44.43612 6.123227 1.488480 
8.458865 
1 1 1 -16 -9  21 o 91.05245 3.004179  1781.629       114.4717 1603.237       
155.9959 1989.768       168.5012 86.09943 4.315528 96.00547 4.180499 -9.906036 
6.008357 
1 1 1 -16 -9  22 o 63.01802 3.563037  881.0978       93.38820 791.9872       
136.5182 959.4737       128.0316 59.75623 5.441625 66.27981 4.601050 -6.523582 
7.126075 
1 1 1 -16 -9  23 o 24.84931 6.130087  145.4842       78.86555 173.1032       
115.6616 121.4848       107.8167 26.45653 8.849351 23.24209 8.485332 3.214441 
12.26017 
1 1 1 -16 -9  24 o 22.86707 6.356402  110.6499       89.53525 88.73613       
137.1123 126.9413       118.2214 22.24818 9.143182 23.48596 8.832757 -1.237780 
12.71280 
1 1 1 -16 -9  25 o 47.26402 4.650615  529.6782       92.02938 480.4379       
126.2516 585.5059       134.4316 44.81491 6.710197 49.71313 6.440973 -4.898216 
9.301229 
1 1 1 -16 -9  26 o 25.33582 6.414783  176.1375       90.69381 97.97595       
125.0462 262.8859       131.7360 21.05156 8.702258 29.62008 9.427007 -8.568525 
12.82957 
1 1 1 -16 -8  1  f 35.71149 6.298780  281.5249       94.21326 270.7240       
133.7754 292.1539       132.7064 35.04331 9.036832 36.37968 8.776912 -1.336372 
12.59756 
1 1 1 -16 -8  2  o 163.5649 5.036259  5676.014       341.3148 5563.042       
524.0582 5759.236       449.7923 162.0379 7.703429 165.0920 6.489439 -3.054108 
10.07252 
1 1 1 -16 -8  3  o 117.4387 3.337906  2928.669       158.1165 2823.559       
260.4524 2990.018       198.9793 115.6921 5.362235 119.1854 3.976545 -3.493362 
6.675812 
1 1 1 -16 -8  4  o 94.71887 3.691980  1784.549       125.7187 2106.378       
265.4351 1691.475       142.7449 99.79411 6.335407 89.64365 3.792819 10.15046 
7.383959 
1 1 1 -16 -8  5  o 135.7119 4.732291  3950.716       243.5473 3787.585       
450.2278 4018.197       289.5720 133.4290 8.037171 137.9947 4.998218 -4.565720 
9.464581 
1 1 1 -16 -8  6  o 142.7266 9.002386  4356.397       539.4378 4356.397       
539.4378 0.000000       0.000000 142.7266 9.002386 ?        ?        ? ? 
1 1 1 -16 -8  7  o 32.75459 6.300245  216.4644       83.52297 303.0456       
153.1493 179.8110       99.64616 36.88982 9.742589 28.61935 7.990890 8.270477 
12.60049 
1 1 1 -16 -8  8  o 105.2666 4.298536  2300.247       159.8755 2441.479       
337.6461 2259.431       181.5131 107.0305 7.514073 103.5027 4.177124 3.527802 
8.597073 
1 1 1 -16 -8  9  o 105.5119 3.722121  2270.575       144.9465 2533.034       
290.4189 2183.510       167.2689 109.2488 6.331829 101.7749 3.914675 7.473946 
7.444242 
1 1 1 -16 -8  10 o 22.75800 6.579913  19.42871       91.64423 116.1767       
174.7080 -17.29819      107.6425 27.76465 10.65304 17.75134 7.726176 10.01331 
13.15983 
1 1 1 -16 -8  11 o 115.0104 3.602108  2801.254       164.2928 2781.391       
282.7509 2811.378       201.8670 114.5675 5.878460 115.4533 4.164666 
-0.8857880     7.204216 
1 1 1 -16 -8  12 o 51.57773 4.489496  563.5234       95.11047 572.4661       
151.5227 557.7091       122.1782 51.85352 6.960181 51.30195 5.672582 0.5515671 
8.978992 
1 1 1 -16 -8  13 o 245.8015 7.700808  12907.99       699.9031 13824.72       
1378.496 12589.59       812.4081 249.3373 13.16859 242.2658 7.987358 7.071426 
15.40162 
1 1 1 -16 -8  14 o 29.90956 6.449305  185.3534       88.91136 261.0559       
138.2668 131.9803       116.0979 34.09541 9.373024 25.72370 8.861182 8.371710 
12.89861 
1 1 1 -16 -8  15 o 66.73189 3.817243  958.4899       103.7796 904.2214       
165.6406 993.5591       133.1543 65.03401 6.066628 68.42976 4.634802 -3.395744 
7.634485 
1 1 1 -16 -8  16 o 19.65945 5.685283  -4.900593      84.33719 -138.2756      
125.7486 104.1421       113.7009 15.48111 7.306032 23.83779 8.712730 -8.356680 
11.37057 
1 1 1 -16 -8  17 o 78.94943 3.015265  1319.751       99.74428 1240.229       
136.0048 1412.302       146.7236 76.39137 4.240637 81.50750 4.287692 -5.116135 
6.030530 
1 1 1 -16 -8  18 o 74.56316 3.042382  1183.827       95.17233 1151.253       
131.6059 1219.536       137.7953 73.49905 4.264958 75.62727 4.339873 -2.128220 
6.084765 
1 1 1 -16 -8  19 o 19.87183 5.529336  20.97009       73.88834 128.8250       
111.6064 -63.19085      98.58808 24.79525 8.673887 14.94842 6.859877 9.846832 
11.05867 
1 1 1 -16 -8  20 f 60.80999 3.636667  807.1947       91.64430 660.2121       
129.1792 956.1294       130.0342 55.02098 5.592236 66.59900 4.650621 -11.57802 
7.273334 
1 1 1 -16 -8  21 o 48.95989 4.243559  536.4736       86.01035 457.6675       
125.0193 607.2932       118.5152 45.25169 6.580565 52.66809 5.359787 -7.416397 
8.487118 
1 1 1 -16 -8  22 o 28.31088 5.506804  195.7524       71.69689 111.5551       
105.9753 266.8179       97.36099 22.97173 8.410023 33.65003 7.111334 -10.67831 
11.01361 
1 1 1 -16 -8  23 o 64.23016 3.381993  909.3820       90.81167 873.8137       
132.9302 940.5081       124.3527 62.89284 5.034351 65.56749 4.517389 -2.674648 
6.763986 
1 1 1 -16 -8  24 o 24.20314 5.900216  111.8867       82.25360 247.1414       
122.0261 -0.7434795     111.3534 30.89261 8.914076 17.51366 7.732363 13.37895 
11.80043 
1 1 1 -16 -8  25 o 39.56780 6.215066  413.0797       100.8615 353.2580       
145.3873 468.5837       140.0423 36.02802 9.482165 43.10759 8.037209 -7.079571 
12.43013 
1 1 1 -16 -8  26 o 24.88680 6.490659  167.6761       89.03971 153.9129       
119.4922 184.8588       133.5136 24.07181 8.914174 25.70178 9.436743 -1.629976 
12.98132 
1 1 1 -16 -8  27 o 34.27934 6.308810  340.0773       96.09039 223.2751       
130.6535 477.6913       141.8166 27.02445 9.391456 41.53423 8.426440 -14.50978 
12.61762 
1 1 1 -16 -7  1  o 114.7669 4.574165  2799.813       216.5497 2673.272       
335.0340 2890.610       283.7986 112.4573 7.096140 117.0765 5.773797 -4.619202 
9.148330 
1 1 1 -16 -7  2  o 105.8254 4.259546  2257.163       182.4151 2764.426       
312.2826 1994.429       224.7442 114.3969 6.502114 97.25381 5.504311 17.14308 
8.519092 
1 1 1 -16 -7  3  o 120.3387 4.161586  3072.830       193.0882 3016.397       
349.3578 3097.650       231.6919 119.4041 6.969032 121.2732 4.550581 -1.869179 
8.323173 
1 1 1 -16 -7  4  o 68.43111 3.479610  971.6784       96.49200 1045.755       
161.3979 930.4736       120.3732 70.39474 5.461082 66.46746 4.313621 3.927284 
6.959220 
1 1 1 -16 -7  5  o 31.67144 5.701742  225.4764       75.82182 188.5384       
118.9056 250.7881       98.42970 29.58516 8.873679 33.75771 7.162211 -4.172546 
11.40348 
1 1 1 -16 -7  6  o 174.7728 5.641307  6424.936       338.0750 6634.695       
738.7523 6369.369       380.2256 175.8701 10.00525 173.6755 5.214634 2.194580 
11.28261 
1 1 1 -16 -7  7  o 80.79848 4.304941  1376.563       146.0324 0.000000       
0.000000 1376.563       146.0324 ?        ?        80.79848 4.304941 ? ? 
1 1 1 -16 -7  8  o 125.2486 4.344387  3135.418       195.8063 3702.497       
412.5745 2970.554       222.4557 131.8493 7.453247 118.6479 4.465857 13.20147 
8.688773 
1 1 1 -16 -7  9  o 108.8637 3.899713  2479.169       158.2341 2572.905       
306.9756 2445.252       184.6560 110.0450 6.644384 107.6824 4.084508 2.362579 
7.799427 
1 1 1 -16 -7  10 o 146.6743 5.357505  4493.327       257.8056 4737.994       
600.1335 4437.958       285.4900 148.3796 9.633736 144.9690 4.690691 3.410645 
10.71501 
1 1 1 -16 -7  11 o 52.90731 4.676376  577.5079       91.50427 630.9561       
181.7824 559.3688       105.8992 54.36061 7.965050 51.45400 4.902241 2.906612 
9.352753 
1 1 1 -16 -7  12 o 136.8190 3.978590  3975.089       218.3491 3928.280       
366.3992 4000.868       271.9049 136.0112 6.416543 137.6268 4.705816 -1.615692 
7.957181 
1 1 1 -16 -7  13 o 78.89200 4.306555  1147.926       120.1468 1663.336       
269.9460 1020.605       134.1685 88.28594 7.282935 69.49805 4.598318 18.78789 
8.613111 
1 1 1 -16 -7  14 o 135.8770 5.521406  3900.016       259.4648 4081.557       
561.1591 3850.650       292.6232 136.9955 9.756651 134.7585 5.172181 2.237015 
11.04281 
1 1 1 -16 -7  15 o 99.29587 3.987775  2125.137       152.7412 2034.340       
273.9353 2166.101       183.9983 97.44534 6.695885 101.1464 4.332959 -3.701057 
7.975550 
1 1 1 -16 -7  16 o 22.71438 5.774096  81.99104       75.64645 158.5173       
106.3023 3.481053       107.6713 26.98296 8.451319 18.44581 7.869941 8.537148 
11.54819 
1 1 1 -16 -7  17 o 65.71820 3.355949  920.4998       92.33363 906.7354       
135.1526 932.5469       126.4412 65.21915 4.935946 66.21725 4.548189 
-0.9981079     6.711899 
1 1 1 -16 -7  18 o 16.42395 5.116659  -21.34090      68.75332 -41.49072      
103.0822 -5.194131      92.27649 16.19202 7.272043 16.65588 7.199874 
-0.4638615     10.23332 
1 1 1 -16 -7  19 o 43.71936 4.303597  415.2529       78.83362 448.5426       
112.2782 382.8845       110.7134 45.49737 5.878007 41.94136 6.287513 3.556011 
8.607194 
1 1 1 -16 -7  20 o 108.7968 2.827242  2542.431       128.2209 2407.345       
189.8690 2655.687       173.8514 105.9915 4.266819 111.6021 3.710453 -5.610619 
5.654485 
1 1 1 -16 -7  21 f 76.49291 3.146570  1281.228       99.26086 1119.497       
148.5975 1411.538       133.3838 71.83647 4.927055 81.14935 3.915067 -9.312881 
6.293141 
1 1 1 -16 -7  22 o 30.40145 5.727434  219.2041       74.22166 256.3962       
112.4332 190.4779       98.81165 32.58789 8.214775 28.21501 7.983198 4.372885 
11.45487 
1 1 1 -16 -7  23 o 52.91393 3.797811  621.7313       83.88935 606.0030       
124.3525 634.8674       113.6442 52.13264 5.681538 53.69522 5.041189 -1.562580 
7.595621 
1 1 1 -16 -7  24 o 19.07096 5.688062  7.252329       82.58833 109.5640       
122.4795 -78.05542      111.8394 22.99018 8.897308 15.15173 7.089011 7.838453 
11.37612 
1 1 1 -16 -7  25 o 54.33732 3.974952  658.7243       89.78844 764.7711       
139.3546 583.4501       117.4074 57.92746 5.730045 50.74718 5.510675 7.180283 
7.949903 
1 1 1 -16 -7  26 o 22.02445 6.029943  59.94595       95.75314 225.4642       
132.1902 -122.7721      138.8887 28.42615 9.460554 15.62276 7.479222 12.80339 
12.05989 
1 1 1 -16 -7  27 o 48.18650 5.366083  608.0297       103.9970 678.1088       
142.6111 528.4364       151.9837 52.55913 6.462884 43.81388 8.567994 8.745247 
10.73217 
1 1 1 -16 -6  1  o 143.1240 4.821666  4335.293       278.4167 4295.811       
461.6279 4357.866       349.0458 142.4866 7.716835 143.7614 5.783105 -1.274872 
9.643332 
1 1 1 -16 -6  2  o 78.65325 4.174693  1304.968       137.8390 1297.182       
193.2727 1313.028       196.6384 78.41670 5.870607 78.88980 5.937020 
-0.4730988     8.349385 
1 1 1 -16 -6  3  o 60.68856 3.897665  791.6067       91.59963 737.5911       
162.1923 816.9037       110.9955 59.08159 6.538816 62.29553 4.243942 -3.213943 
7.795330 
1 1 1 -16 -6  4  o 254.9187 5.732887  13786.98       589.1202 13817.73       
981.0342 13769.64       736.7522 254.7461 9.172709 255.0912 6.879344 
-0.3450775     11.46577 
1 1 1 -16 -6  5  o 287.4550 6.522751  17831.32       751.2762 16884.16       
1248.096 18369.51       940.8088 280.6814 10.59145 294.2286 7.616185 -13.54721 
13.04550 
1 1 1 -16 -6  6  o 101.6650 3.349781  2188.433       132.4743 2156.474       
236.1750 2203.105       160.0178 101.0314 5.567989 102.2985 3.725805 -1.267036 
6.699562 
1 1 1 -16 -6  7  o 34.11031 5.999134  262.9556       76.47729 212.3684       
164.9206 276.8138       86.31935 32.04152 10.56707 36.17909 5.682920 -4.137577 
11.99827 
1 1 1 -16 -6  8  o 126.8010 5.263708  3464.438       224.5139 3350.869       
495.0837 3493.841       251.9053 124.9443 9.438072 128.6577 4.663612 -3.713440 
10.52742 
1 1 1 -16 -6  9  o 88.09164 7.015511  1650.709       259.4615 1650.709       
259.4615 0.000000       0.000000 88.09164 7.015511 ?        ?        ? ? 
1 1 1 -16 -6  10 o 103.5030 4.307453  2237.326       152.7165 2331.951       
335.2123 2212.542       171.5542 104.5648 7.635816 102.4412 3.988852 2.123650 
8.614906 
1 1 1 -16 -6  11 o 198.5845 6.308545  8347.699       451.2517 8669.027       
920.0793 8245.927       517.8052 200.0092 10.95712 197.1599 6.255600 2.849365 
12.61709 
1 1 1 -16 -6  12 o 110.5949 4.032081  2629.822       177.7775 2459.899       
297.7373 2723.968       221.6207 107.6122 6.590113 113.5777 4.647701 -5.965530 
8.064162 
1 1 1 -16 -6  13 o 124.4675 5.147206  3168.480       189.2904 3498.127       
507.3960 3115.184       204.0193 127.4028 9.486128 121.5321 3.998539 5.870720 
10.29441 
1 1 1 -16 -6  14 o 114.0651 4.625516  2725.810       186.6108 2858.291       
392.0114 2686.992       212.1959 115.3847 8.092293 112.7455 4.482899 2.639175 
9.251032 
1 1 1 -16 -6  15 o 72.76646 4.038371  1124.973       114.1953 1131.606       
204.7850 1121.979       137.5703 72.73482 6.706206 72.79810 4.501173 
-0.6328583E-01 8.076741 
1 1 1 -16 -6  16 o 74.53821 3.190700  1179.053       99.78036 1134.093       
141.5425 1223.469       140.6829 73.10784 4.611520 75.96857 4.410912 -2.860725 
6.381399 
1 1 1 -16 -6  17 o 100.1292 3.088486  2136.028       129.3569 1981.497       
186.0908 2280.512       179.9408 96.55374 4.590677 103.7047 4.132875 -7.150917 
6.176971 
1 1 1 -16 -6  18 o 43.52934 4.317452  407.8145       78.86534 423.2676       
113.5042 393.3905       109.6600 44.32708 6.099075 42.73160 6.112516 1.595482 
8.634905 
1 1 1 -16 -6  19 o 65.79886 3.398422  892.8408       90.91548 1062.908       
153.1819 800.3544       112.9631 70.35378 5.186104 61.24395 4.393338 9.109829 
6.796845 
1 1 1 -16 -6  20 o 43.34834 5.095450  458.5292       83.61436 283.7714       
129.8647 582.2743       109.2790 34.70948 8.876161 51.98719 5.006816 -17.27771 
10.19090 
1 1 1 -16 -6  21 o 74.86905 3.240823  1196.349       99.63222 1264.334       
160.1570 1153.430       127.2532 76.40514 4.992802 73.33297 4.133238 3.072166 
6.481646 
1 1 1 -16 -6  22 o 56.75479 3.585186  682.5808       84.18924 852.8511       
132.4186 567.0582       109.0719 62.53665 5.043538 50.97293 5.096761 11.56372 
7.170373 
1 1 1 -16 -6  23 f 43.69301 4.952917  438.3799       87.88056 526.7195       
128.8698 361.5886       120.1515 48.36645 6.346406 39.01957 7.605831 9.346882 
9.905833 
1 1 1 -16 -6  24 o 24.26778 5.779637  134.5721       78.54957 18.59063       
124.1507 211.9910       101.4327 19.21849 8.330025 29.31707 8.014206 -10.09858 
11.55927 
1 1 1 -16 -6  25 o 42.92910 4.805320  439.0406       82.96519 360.6063       
118.8965 513.4745       115.8248 38.32552 7.660126 47.53267 5.804038 -9.207146 
9.610640 
1 1 1 -16 -6  26 o 41.76413 5.133669  428.1496       86.96690 499.1886       
122.8776 356.8505       123.1023 46.15898 6.340704 37.36928 8.075501 8.789700 
10.26734 
1 1 1 -16 -6  27 o 54.81699 4.710028  733.4214       108.2302 682.6873       
150.6710 787.5071       155.5678 52.68329 6.812051 56.95070 6.506413 -4.267414 
9.420055 
1 1 1 -16 -6  28 o 54.25186 5.205682  759.0536       112.0070 570.1194       
154.3538 969.1943       162.7859 45.48313 8.398962 63.02060 6.152554 -17.53747 
10.41136 
1 1 1 -16 -5  1  o 61.91978 4.497532  805.3428       116.6239 735.6743       
159.2109 886.0076       171.3156 59.04032 6.423109 64.79925 6.297209 -5.758930 
8.995064 
1 1 1 -16 -5  2  o 185.6742 5.725605  7303.661       442.0808 7297.645       
672.8440 7308.229       586.4217 185.4906 8.639995 185.8579 7.515367 
-0.3672485     11.45121 
1 1 1 -16 -5  3  o 334.6268 8.077101  24099.63       1038.203 23621.26       
1886.126 24307.57       1243.545 330.9053 13.57650 338.3482 8.754244 -7.442902 
16.15420 
1 1 1 -16 -5  4  o 123.6039 4.264898  3186.254       193.8388 3309.334       
384.2829 3144.250       224.4907 125.0122 7.321834 122.1957 4.375862 2.816475 
8.529796 
1 1 1 -16 -5  5  o 238.0923 5.955805  11925.85       569.7432 12485.13       
965.7632 11627.30       705.6111 241.9169 9.508795 234.2677 7.174210 7.649231 
11.91161 
1 1 1 -16 -5  6  o 216.5734 5.647849  9862.790       461.7611 10220.83       
876.7573 9725.355       543.2034 218.6802 9.549727 214.4667 6.032867 4.213562 
11.29570 
1 1 1 -16 -5  7  o 168.5638 5.120282  5993.915       297.7906 6104.202       
643.3348 5963.841       335.9483 168.9949 9.067439 168.1328 4.759277 0.8620300 
10.24056 
1 1 1 -16 -5  8  o 151.1458 3.740016  4666.519       199.7086 5131.972       
425.6182 4535.109       226.1498 155.5499 6.517357 146.7418 3.670824 8.808136 
7.480032 
1 1 1 -16 -5  9  o 139.3621 5.860199  4026.337       283.6206 4378.583       
616.2242 3931.664       319.4694 142.4310 10.30517 136.2931 5.583112 6.137848 
11.72040 
1 1 1 -16 -5  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -5  11 o 156.7335 4.740548  5233.668       284.5107 5183.612       
521.6390 5254.864       339.4448 155.8082 7.974449 157.6587 5.128287 -1.850433 
9.481095 
1 1 1 -16 -5  12 o 205.0074 6.175364  9021.980       501.6821 8950.379       
863.2137 9058.501       616.4871 203.6945 10.09393 206.3203 7.117101 -2.625778 
12.35073 
1 1 1 -16 -5  13 o 151.9651 4.744884  4962.307       280.4232 4767.529       
496.2524 5053.680       339.8925 149.3742 7.913126 154.5559 5.238141 -5.181656 
9.489767 
1 1 1 -16 -5  14 o 68.37615 4.588298  1014.837       110.2965 957.3726       
227.5138 1032.491       126.1065 66.82775 8.109088 69.92455 4.295649 -3.096802 
9.176596 
1 1 1 -16 -5  15 o 110.0440 3.164253  2567.428       145.7758 2473.534       
211.8755 2651.831       200.8798 108.0915 4.668853 111.9965 4.272213 -3.904945 
6.328506 
1 1 1 -16 -5  16 o 15.04725 4.932775  -91.54008      75.40724 -66.46040      
102.8208 -120.7282      110.9234 15.45490 7.055979 14.63961 6.895086 0.8152895 
9.865549 
1 1 1 -16 -5  17 o 46.49104 4.249790  463.0078       82.90291 459.2746       
118.9685 466.5320       115.5894 46.29159 6.121402 46.69049 5.896720 
-0.3988991     8.499580 
1 1 1 -16 -5  18 o 41.02755 5.072843  372.2216       84.19955 465.4760       
121.7437 286.7150       116.5766 46.49876 6.236288 35.55635 8.002728 10.94241 
10.14569 
1 1 1 -16 -5  19 o 86.03783 2.986808  1553.977       106.8535 1732.468       
165.6526 1426.789       139.8341 90.16622 4.375982 81.90944 4.066308 8.256783 
5.973616 
1 1 1 -16 -5  20 o 59.91422 3.445602  755.8339       85.76614 883.5583       
133.4809 666.0251       111.9288 64.11668 4.958716 55.71174 4.785377 8.404942 
6.891204 
1 1 1 -16 -5  21 o 61.93413 3.475006  831.4627       89.01305 808.4504       
137.0633 848.2474       117.0575 61.03064 5.349268 62.83761 4.437116 -1.806965 
6.950012 
1 1 1 -16 -5  22 o 62.14780 3.430816  842.8773       88.82835 786.9135       
131.0907 890.3884       120.7856 60.08044 5.197087 64.21517 4.480211 -4.134731 
6.861633 
1 1 1 -16 -5  23 o 41.87740 5.143154  427.3470       83.96130 306.7481       
128.9623 516.0739       110.6162 35.37205 8.726573 48.38275 5.445646 -13.01070 
10.28631 
1 1 1 -16 -5  24 o 27.20098 5.833360  171.3299       77.95761 270.6902       
113.6344 82.98812       107.1486 33.16089 8.198029 21.24106 8.300883 11.91983 
11.66672 
1 1 1 -16 -5  25 o 58.42229 3.685407  761.1633       90.31679 804.3282       
129.0932 719.7784       126.4037 60.10725 5.115613 56.73734 5.306544 3.369907 
7.370815 
1 1 1 -16 -5  26 o 22.66934 6.002709  92.47411       81.36520 203.4525       
126.0679 13.24153       106.5215 27.76871 9.238877 17.56997 7.666368 10.19873 
12.00542 
1 1 1 -16 -5  27 f 38.12278 5.636286  390.5216       89.55665 241.7703       
130.3040 523.6923       123.2912 29.24504 9.382521 47.00052 6.248135 -17.75549 
11.27257 
1 1 1 -16 -5  28 o 57.37333 4.154415  773.3680       98.93909 944.0845       
152.9221 650.4563       129.7565 62.79167 5.800818 51.95498 5.948711 10.83669 
8.308830 
1 1 1 -16 -4  1  o 160.2680 4.548493  5422.395       305.9045 5226.612       
432.3948 5618.575       432.8342 157.3557 6.545140 163.1802 6.317935 -5.824448 
9.096987 
1 1 1 -16 -4  2  o 156.1177 4.952902  5105.313       318.8508 5386.469       
506.2484 4920.448       410.5027 159.5634 7.557036 152.6721 6.404386 6.891296 
9.905804 
1 1 1 -16 -4  3  o 116.9804 3.776417  2830.125       160.4387 2993.980       
325.6166 2777.591       184.3728 119.0548 6.514497 114.9061 3.821863 4.148705 
7.552835 
1 1 1 -16 -4  4  o 163.3114 3.975696  5554.438       256.4659 5839.845       
451.1943 5418.208       311.7210 166.2386 6.464767 160.3842 4.629410 5.854416 
7.951393 
1 1 1 -16 -4  5  o 72.96975 3.575413  1152.880       102.2725 1035.047       
175.1555 1213.836       125.9779 70.00118 5.959908 75.93832 3.951432 -5.937134 
7.150826 
1 1 1 -16 -4  6  o 219.7446 5.163898  10246.14       461.6322 10219.25       
751.2805 10262.46       585.1240 219.2334 8.162373 220.2558 6.327639 -1.022369 
10.32780 
1 1 1 -16 -4  7  o 32.28597 5.514002  248.1002       77.67058 112.9961       
129.9754 323.1443       96.86906 25.48303 9.315295 39.08892 5.902725 -13.60589 
11.02800 
1 1 1 -16 -4  8  o 81.87810 3.413335  1464.853       105.3450 1299.321       
192.6247 1535.488       125.8297 78.35522 5.855514 85.40097 3.509470 -7.045746 
6.826670 
1 1 1 -16 -4  9  o 146.6441 3.581924  4372.704       164.2961 4806.439       
411.3340 4290.371       179.2125 150.4911 6.510360 142.7972 2.989301 7.693848 
7.163847 
1 1 1 -16 -4  10 o 158.4535 5.361076  4839.308       198.4154 6009.432       
715.0524 4741.695       206.5256 166.8334 10.20883 150.0737 3.277860 16.75974 
10.72215 
1 1 1 -16 -4  11 o 62.67009 4.957512  829.9779       130.4377 0.000000       
0.000000 829.9779       130.4377 ?        ?        62.67009 4.957512 ? ? 
1 1 1 -16 -4  12 o 52.46570 6.997865  585.4594       154.1416 585.4594       
154.1416 0.000000       0.000000 52.46570 6.997865 ?        ?        ? ? 
1 1 1 -16 -4  13 o 62.74802 4.477386  870.1096       109.5943 735.1740       
185.6877 942.2401       135.7623 58.71681 7.532547 66.77922 4.842381 -8.062412 
8.954771 
1 1 1 -16 -4  14 o 166.4358 3.953963  5862.478       265.1740 5900.335       
442.5201 5841.268       331.2305 166.6330 6.325473 166.2386 4.745912 0.3944702 
7.907926 
1 1 1 -16 -4  15 o 124.0010 3.323412  3259.020       172.7279 3130.455       
248.2056 3379.750       240.5239 121.5909 4.862186 126.4111 4.532044 -4.820175 
6.646825 
1 1 1 -16 -4  16 o 57.53089 3.768725  712.8288       89.50116 572.3570       
127.8280 847.9194       125.3557 51.81961 5.875612 63.24216 4.721264 -11.42255 
7.537450 
1 1 1 -16 -4  17 o 106.6057 3.104517  2410.124       138.9331 2405.676       
194.9652 2414.712       198.0329 106.5133 4.359879 106.6980 4.420812 
-0.1847687     6.209035 
1 1 1 -16 -4  18 o 121.7486 3.144204  3144.855       160.3738 3223.474       
235.7275 3077.110       218.8207 123.1245 4.560229 120.3726 4.329941 2.751991 
6.288408 
1 1 1 -16 -4  19 o 76.08089 3.238262  1234.116       103.1448 1231.151       
151.5113 1236.678       140.8130 75.95125 4.751506 76.21053 4.400973 
-0.2592773     6.476524 
1 1 1 -16 -4  20 o 29.20214 6.308672  192.4851       83.56748 209.5192       
129.6718 180.3852       109.2895 30.22993 9.307409 28.17435 8.518773 2.055576 
12.61734 
1 1 1 -16 -4  21 o 23.82923 5.726512  119.1189       73.33588 38.35839       
114.7920 174.8106       95.32511 20.13625 8.331693 27.52220 7.858414 -7.385956 
11.45302 
1 1 1 -16 -4  22 o 77.96945 3.174416  1310.594       103.0015 1309.834       
156.1798 1311.180       137.0248 77.81232 4.780768 78.12658 4.177549 
-0.3142624     6.348831 
1 1 1 -16 -4  23 o 48.92364 4.167699  530.4487       85.56329 511.9090       
120.8866 549.0611       121.1233 48.02190 5.995977 49.82537 5.790260 -1.803474 
8.335398 
1 1 1 -16 -4  24 o 52.01712 4.002791  589.3190       86.23025 743.5289       
132.2377 475.2373       113.7384 57.92643 5.437503 46.10781 5.875619 11.81863 
8.005582 
1 1 1 -16 -4  25 o 20.89668 5.759409  33.85019       78.58934 180.2122       
126.7365 -57.59101      100.1748 26.96266 9.261153 14.83070 6.849396 12.13196 
11.51882 
1 1 1 -16 -4  26 o 29.71045 6.112845  230.1692       83.92158 163.0398       
121.4935 291.4273       116.0590 25.55698 9.039060 33.86392 8.231822 -8.306940 
12.22569 
1 1 1 -16 -4  27 o 78.24345 3.396365  1377.498       110.7845 1355.946       
165.7116 1394.914       148.9684 77.35913 5.102257 79.12777 4.484213 -1.768639 
6.792731 
1 1 1 -16 -4  28 o 17.92077 5.652250  8.102053       88.19998 67.42334       
124.9864 -50.74177      124.4824 19.83430 8.471277 16.00724 7.485266 3.827061 
11.30450 
1 1 1 -16 -3  1  o 75.28194 4.124515  1194.803       130.3251 1233.405       
185.4324 1157.123       183.2028 76.48669 5.774587 74.07719 5.890725 2.409492 
8.249029 
1 1 1 -16 -3  2  o 64.79737 4.440037  873.4181       119.4362 1081.905       
180.1268 709.8342       159.5546 71.61485 5.990959 57.97989 6.554702 13.63495 
8.880074 
1 1 1 -16 -3  3  o 91.85970 3.716124  1719.029       131.4230 1927.404       
245.9846 1635.788       155.4729 95.55814 6.131423 88.16125 4.200471 7.396889 
7.432248 
1 1 1 -16 -3  4  o 101.6758 3.454314  2169.461       133.7258 2199.397       
249.3226 2157.370       158.4446 102.0863 5.817218 101.2654 3.726812 0.8208923 
6.908628 
1 1 1 -16 -3  5  o 225.7296 5.111366  10833.09       462.6983 10654.44       
775.8510 10931.71       576.4233 223.9734 8.250930 227.4859 6.035428 -3.512497 
10.22273 
1 1 1 -16 -3  6  o 122.6021 3.951468  3218.644       200.5008 2774.862       
295.0204 3599.551       273.3230 114.5640 6.133734 130.6401 4.983341 -16.07615 
7.902935 
1 1 1 -16 -3  7  o 146.6823 4.445112  4598.704       237.4077 4463.480       
469.4518 4645.170       275.1909 144.9126 7.716246 148.4521 4.415386 -3.539597 
8.890224 
1 1 1 -16 -3  8  o 84.02237 3.194211  1462.753       97.35242 1541.511       
197.7397 1437.556       111.8465 85.39109 5.515722 82.65366 3.223158 2.737434 
6.388422 
1 1 1 -16 -3  9  o 299.3461 8.028668  18248.43       498.5136 20849.36       
1990.887 18074.44       514.9172 305.9146 15.50128 292.7776 4.189099 13.13699 
16.05734 
1 1 1 -16 -3  10 o 103.8769 3.611692  2116.806       110.2770 2519.659       
303.4388 2055.501       118.3707 108.9088 6.636346 98.84502 2.852400 10.06381 
7.223384 
1 1 1 -16 -3  11 f 104.1945 3.449360  2340.759       114.2053 2221.845       
270.2906 2366.603       126.0058 102.3264 6.291646 106.0625 2.829760 -3.736107 
6.898721 
1 1 1 -16 -3  12 o 52.42727 4.504058  587.6274       94.40923 568.6799       
158.6270 598.0206       117.4824 51.67799 7.311265 53.17655 5.262276 -1.498558 
9.008116 
1 1 1 -16 -3  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 -3  14 o 180.0497 4.530042  6882.637       341.7539 6971.468       
500.6420 6805.122       467.6674 181.0753 6.585504 179.0241 6.222239 2.051239 
9.060083 
1 1 1 -16 -3  15 o 142.6687 3.480803  4239.228       203.1539 4611.205       
332.1705 4016.945       256.7764 147.4759 5.364894 137.8615 4.436426 9.614410 
6.961606 
1 1 1 -16 -3  16 o 107.6178 3.069692  2447.583       138.5959 2374.523       
191.6405 2527.697       200.6802 105.9424 4.308622 109.2932 4.373535 -3.350723 
6.139384 
1 1 1 -16 -3  17 o 87.70889 3.098589  1625.858       113.5544 1677.657       
170.1772 1584.283       152.4599 88.92981 4.558009 86.48798 4.198758 2.441826 
6.197178 
1 1 1 -16 -3  18 o 124.3565 3.361999  3285.453       171.2954 3309.730       
274.2517 3269.925       219.3419 124.5545 5.244586 124.1586 4.207905 0.3958664 
6.723998 
1 1 1 -16 -3  19 o 88.28210 3.093231  1665.397       113.4609 1601.861       
171.3869 1714.968       151.3841 86.68353 4.709362 89.88067 4.011762 -3.197144 
6.186463 
1 1 1 -16 -3  20 o 25.75970 5.923209  144.1502       78.19441 60.08399       
122.3625 202.1767       101.6602 21.80395 8.756432 29.71546 7.978880 -7.911509 
11.84642 
1 1 1 -16 -3  21 o 23.38412 5.836061  103.0482       76.88610 22.13149       
113.6478 171.3397       104.4059 19.38755 8.170262 27.38070 8.335781 -7.993158 
11.67212 
1 1 1 -16 -3  22 o 19.05825 5.679981  25.27617       76.81406 3.281854       
123.0617 39.31535       98.31928 19.14909 8.296586 18.96741 7.759858 0.1816769 
11.35996 
1 1 1 -16 -3  23 o 34.79936 5.116581  272.5887       76.53222 467.8661       
115.8660 121.4505       101.9335 45.97106 6.003333 23.62767 8.287196 22.34339 
10.23316 
1 1 1 -16 -3  24 o 36.20617 5.430045  315.8834       80.97969 257.5975       
121.1003 363.0273       108.9120 32.30032 8.724430 40.11202 6.467292 -7.811703 
10.86009 
1 1 1 -16 -3  25 o 38.11085 5.759613  356.4482       89.05099 355.8976       
132.0207 356.9079       120.6238 37.82773 8.518012 38.39397 7.754741 
-0.5662422     11.51923 
1 1 1 -16 -3  26 o 26.51529 6.468522  177.2890       87.66960 168.2053       
126.1935 185.7631       121.8858 26.01101 9.210964 27.01957 9.084340 -1.008558 
12.93704 
1 1 1 -16 -3  27 o 21.07179 5.945258  59.05478       88.59495 -60.53985      
127.7550 169.8523       122.9665 16.49870 7.663708 25.64488 9.091312 -9.146187 
11.89052 
1 1 1 -16 -3  28 o 24.50186 6.890019  160.5441       107.4694 122.2584       
161.0926 191.2490       144.2652 23.12531 9.735503 25.87840 9.752407 -2.753094 
13.78004 
1 1 1 -16 -3  29 o 38.90328 6.324312  433.4446       101.8702 528.6390       
149.2158 350.3442       139.4154 43.72735 8.428789 34.07921 9.430969 9.648144 
12.64862 
1 1 1 -16 -2  1  o 76.08862 4.607880  1223.072       146.9189 1130.697       
206.8177 1317.177       208.7453 73.17181 6.732323 79.00542 6.293334 -5.833611 
9.215759 
1 1 1 -16 -2  2  o 119.6954 4.114565  3052.216       189.1153 2945.330       
343.1159 3098.854       226.6502 118.0583 6.922542 121.3326 4.449381 -3.274361 
8.229130 
1 1 1 -16 -2  3  o 73.89091 3.670866  1142.176       106.6485 1174.969       
188.3776 1126.707       129.3795 74.61550 6.013415 73.16633 4.211873 1.449173 
7.341733 
1 1 1 -16 -2  4  o 27.42622 6.174028  157.9977       77.86194 133.5743       
136.5359 169.7680       94.78491 26.94918 9.577171 27.90326 7.794375 
-0.9540730     12.34806 
1 1 1 -16 -2  5  o 183.5302 5.349741  7256.608       384.3708 6810.410       
667.9241 7477.540       469.9931 178.8999 8.892793 188.1605 5.949549 -9.260666 
10.69948 
1 1 1 -16 -2  6  o 73.63136 3.561261  1136.200       105.0638 1168.088       
178.5441 1119.309       129.9432 74.36562 5.718662 72.89709 4.245848 1.468529 
7.122522 
1 1 1 -16 -2  7  o 99.46750 3.549537  2112.060       134.7374 2028.923       
246.7520 2147.379       160.8311 97.94495 6.000670 100.9901 3.793260 -3.045113 
7.099074 
1 1 1 -16 -2  8  o 59.75544 3.781041  738.6979       82.88194 787.2313       
165.9062 722.5569       95.67648 60.94376 6.484169 58.56712 3.891099 2.376640 
7.562083 
1 1 1 -16 -2  9  o 42.95626 4.607141  423.6953       67.97874 348.8581       
133.2154 450.0439       79.04494 39.70678 8.264355 46.20574 4.074733 -6.498959 
9.214283 
1 1 1 -16 -2  10 o 98.63750 3.517318  2082.692       111.3629 2014.347       
261.4680 2097.837       123.0851 97.42297 6.392610 99.85203 2.936091 -2.429054 
7.034635 
1 1 1 -16 -2  11 o 104.2164 2.878618  2273.664       97.28926 2316.699       
228.5621 2264.142       107.5157 104.6647 5.201459 103.7681 2.467910 0.8965836 
5.757236 
1 1 1 -16 -2  12 o 93.59413 3.012874  1921.657       104.2263 1689.373       
196.1888 2012.994       123.0228 89.38081 5.228186 97.80746 2.995950 -8.426659 
6.025749 
1 1 1 -16 -2  13 o 108.5029 2.482142  2442.556       100.6911 2561.333       
195.0194 2399.385       117.5749 110.1941 4.215415 106.8116 2.621905 3.382484 
4.964284 
1 1 1 -16 -2  14 o 255.7508 7.739034  13969.24       830.9648 0.000000       
0.000000 13969.24       830.9648 ?        ?        255.7508 7.739034 ? ? 
1 1 1 -16 -2  15 o 17.97734 5.624247  -38.80678      84.78385 -88.75205      
130.7567 -2.574994      111.3684 17.33111 7.931043 18.62358 7.976665 -1.292467 
11.24849 
1 1 1 -16 -2  16 o 121.7702 3.293486  3092.766       166.6634 2827.715       
217.6312 3468.645       259.1679 115.5949 4.484393 127.9456 4.824773 -12.35075 
6.586973 
1 1 1 -16 -2  17 o 85.15710 3.304404  1501.419       116.4158 1761.238       
184.9371 1330.893       149.8254 91.08021 4.836388 79.23400 4.503964 11.84621 
6.608808 
1 1 1 -16 -2  18 o 97.94875 3.111186  2040.212       127.3595 1989.705       
187.9474 2083.096       173.1840 96.76920 4.626156 99.12828 4.161322 -2.359077 
6.222373 
1 1 1 -16 -2  19 o 43.57323 4.523506  402.8039       81.99027 486.3526       
124.6850 339.1535       108.8291 47.51567 6.250267 39.63078 6.540840 7.884884 
9.047011 
1 1 1 -16 -2  20 o 24.80260 6.002696  129.2934       75.04241 107.9314       
117.8136 143.8773       97.34419 24.04059 8.860886 25.56462 8.100256 -1.524027 
12.00539 
1 1 1 -16 -2  21 o 60.20881 3.573923  762.3586       89.29763 928.7600       
138.6932 644.5353       116.7058 65.70004 5.028179 54.71759 5.080267 10.98244 
7.147845 
1 1 1 -16 -2  22 o 83.60781 3.273829  1493.250       113.1714 1573.288       
177.9461 1438.887       146.6523 85.31494 4.968031 81.90068 4.265032 3.414261 
6.547658 
1 1 1 -16 -2  23 o 71.65222 3.214967  1109.840       96.57610 1111.119       
140.3472 1108.689       133.0993 71.63596 4.666525 71.66850 4.423527 
-0.3253937E-01 6.429934 
1 1 1 -16 -2  24 o 25.66751 6.055728  143.1634       79.82285 223.2397       
118.3874 76.41450       108.0875 30.19008 8.802523 21.14495 8.318831 9.045135 
12.11146 
1 1 1 -16 -2  25 o 16.78774 5.416944  -47.67284      84.92737 -39.52733      
122.3338 -55.25075      117.9946 17.18112 7.803137 16.39436 7.515595 0.7867603 
10.83389 
1 1 1 -16 -2  26 o 75.23280 3.395746  1256.413       106.7551 1139.568       
152.4406 1368.868       149.5498 71.56461 5.073684 78.90099 4.514654 -7.336380 
6.791493 
1 1 1 -16 -2  27 o 28.09879 6.634964  210.2876       91.62168 214.2598       
120.9914 204.9476       140.2840 28.47221 9.031621 27.72536 9.722181 0.7468529 
13.26993 
1 1 1 -16 -2  28 o 22.22315 6.448381  104.2825       97.68661 62.09798       
147.0583 137.5968       130.6859 20.91147 9.064952 23.53482 9.173500 -2.623352 
12.89676 
1 1 1 -16 -2  29 o 28.18462 6.530393  248.8166       98.22684 134.1702       
156.2962 323.6589       126.2820 22.87471 9.607814 33.49453 8.847261 -10.61981 
13.06079 
1 1 1 -16 -1  1  o 193.0703 5.359493  7860.108       429.2782 8056.196       
663.4807 7718.915       563.0010 195.0267 8.103177 191.1140 7.016778 3.912704 
10.71899 
1 1 1 -16 -1  2  o 313.5208 6.811962  21029.08       847.6663 20528.37       
1448.936 21289.62       1045.193 309.9762 11.13377 317.0655 7.851789 -7.089355 
13.62392 
1 1 1 -16 -1  3  o 154.2837 4.358908  5029.298       249.1902 5017.254       
483.3711 5033.658       290.8131 153.9497 7.478643 154.6176 4.479980 
-0.6679077     8.717816 
1 1 1 -16 -1  4  o 142.4715 4.606593  4261.522       253.6045 4363.914       
461.8680 4217.327       303.4392 143.5013 7.666250 141.4417 5.109934 2.059601 
9.213186 
1 1 1 -16 -1  5  o 157.3986 4.802682  5306.658       300.6238 5037.014       
508.2292 5451.778       372.8455 154.0717 7.857018 160.7254 5.525422 -6.653702 
9.605364 
1 1 1 -16 -1  6  o 196.9770 5.482698  8248.254       430.7757 8205.004       
732.6177 8271.109       532.5685 196.2298 8.892698 197.7242 6.415592 -1.494400 
10.96540 
1 1 1 -16 -1  7  f 54.87069 4.047283  680.9892       83.16428 531.2300       
147.6745 750.5446       100.6407 50.04730 7.028227 59.69407 4.015722 -9.646774 
8.094566 
1 1 1 -16 -1  8  o 79.10809 3.158634  1299.407       93.01681 1363.843       
181.4056 1276.423       108.3437 80.33660 5.378465 77.87957 3.313609 2.457031 
6.317269 
1 1 1 -16 -1  9  f 45.89898 4.225175  404.5879       70.72142 532.9897       
149.2274 367.3959       80.31328 50.07277 7.098522 41.72519 4.584692 8.347588 
8.450350 
1 1 1 -16 -1  10 o 141.0833 3.435013  4064.347       141.7845 4404.385       
383.8471 4010.622       152.5747 144.0719 6.346001 138.0948 2.631638 5.977051 
6.870025 
1 1 1 -16 -1  11 o 148.5580 4.232883  4575.795       174.4473 4817.515       
498.7569 4542.103       186.2087 150.2032 7.909167 146.9129 3.018987 3.290344 
8.465767 
1 1 1 -16 -1  12 o 81.66054 2.817337  1312.521       81.73441 1584.396       
176.4465 1238.245       92.22596 86.60277 4.852910 76.71832 2.863355 9.884453 
5.634673 
1 1 1 -16 -1  13 o 165.9223 3.016539  5813.187       179.5355 5796.856       
365.7169 5818.372       206.0765 165.5558 5.261647 166.2887 2.951798 
-0.7329102     6.033079 
1 1 1 -16 -1  14 o 60.73893 2.768290  756.9538       69.21767 883.5860       
112.0749 678.8677       88.00819 64.72072 4.124642 56.75714 3.693377 7.963581 
5.536579 
1 1 1 -16 -1  15 o 96.37146 3.057341  1968.740       123.0266 1879.445       
181.2433 2045.038       167.5359 94.30231 4.577841 98.44061 4.053729 -4.138298 
6.114683 
1 1 1 -16 -1  16 o 143.6716 7.309316  4423.309       440.8863 4423.309       
440.8863 0.000000       0.000000 143.6716 7.309316 ?        ?        ? ? 
1 1 1 -16 -1  17 f 31.11701 6.084354  216.4879       82.73811 250.0065       
117.5299 183.5566       116.4957 33.32021 8.398617 28.91382 8.805719 4.406385 
12.16871 
1 1 1 -16 -1  18 o 62.25323 3.528884  822.2161       91.34335 843.0245       
139.9185 806.7609       120.5849 62.88327 5.299820 61.62321 4.660900 1.260059 
7.057767 
1 1 1 -16 -1  19 o 60.96948 3.574993  800.7402       90.22089 740.7694       
136.4403 847.3367       120.2677 58.82526 5.524588 63.11369 4.538857 -4.288429 
7.149986 
1 1 1 -16 -1  20 o 103.8645 3.234921  2318.344       139.8031 2135.958       
206.6884 2472.160       189.8109 99.93882 4.926097 107.7902 4.194334 -7.851334 
6.469843 
1 1 1 -16 -1  21 o 44.18209 4.364446  423.0649       80.37594 436.6476       
121.8981 412.6173       106.9087 44.72574 6.491731 43.63843 5.835321 1.087311 
8.728891 
1 1 1 -16 -1  22 o 78.85103 3.199607  1334.271       104.7727 1348.141       
160.6761 1324.011       138.1942 79.07582 4.839814 78.62624 4.186425 0.4495850 
6.399215 
1 1 1 -16 -1  23 f 40.39717 4.935365  369.5531       81.94774 389.3739       
118.3440 351.2942       113.5856 41.77080 6.748303 39.02354 7.203591 2.747261 
9.870730 
1 1 1 -16 -1  24 o 73.56500 3.185972  1171.075       97.90440 1019.040       
135.0746 1339.358       142.1086 68.44122 4.700856 78.68878 4.301584 -10.24757 
6.371944 
1 1 1 -16 -1  25 f 23.28392 6.366807  104.0839       88.68988 139.1379       
131.4949 74.82858       120.1274 25.08044 9.338466 21.48740 8.656673 3.593035 
12.73361 
1 1 1 -16 -1  26 o 64.41360 3.821973  927.4213       103.0437 919.6232       
140.2190 936.5774       151.9369 64.26931 5.196661 64.55790 5.605767 
-0.2885895     7.643946 
1 1 1 -16 -1  27 o 48.50308 5.346865  576.1202       102.1512 760.0510       
146.9516 404.1390       142.0978 57.45877 6.091706 39.54739 8.789027 17.91139 
10.69373 
1 1 1 -16 -1  28 o 40.60908 6.314569  433.4507       103.9667 515.2770       
160.6692 374.5078       136.3646 43.85169 9.036022 37.36647 8.823008 6.485214 
12.62914 
1 1 1 -16 -1  29 o 42.59463 6.314439  502.5787       107.2069 527.8615       
178.8653 488.4037       133.9299 41.41035 10.31464 43.77891 7.286747 -2.368561 
12.62888 
1 1 1 -16 0   1  o 202.7557 6.915749  8729.618       588.0566 9251.213       
854.1823 8259.672       810.7886 208.5071 9.757775 197.0043 9.802864 11.50279 
13.83150 
1 1 1 -16 0   2  o 222.0838 6.817274  10424.86       587.0112 10687.47       
1062.002 10309.32       704.3964 223.5085 11.31755 220.6591 7.603550 2.849442 
13.63455 
1 1 1 -16 0   3  o 220.1757 5.168816  10281.97       463.0160 10177.88       
752.0274 10345.53       587.5925 219.0460 8.177479 221.3054 6.324196 -2.259399 
10.33763 
1 1 1 -16 0   4  o 208.8311 6.010063  9367.913       468.1228 9038.234       
890.0153 9493.999       550.4077 205.6745 10.30714 211.9879 6.184357 -6.313400 
12.02013 
1 1 1 -16 0   5  o 123.3035 3.786089  3231.698       190.8122 3100.235       
303.6975 3317.442       245.2682 121.1392 5.971419 125.4678 4.656183 -4.328552 
7.572179 
1 1 1 -16 0   6  o 51.78365 4.077712  580.9824       79.48141 533.3591       
147.0707 600.6297       94.46452 50.16876 6.982545 53.39854 4.213669 -3.229782 
8.155424 
1 1 1 -16 0   7  o 63.15069 3.826106  782.8212       88.35641 965.9888       
183.4412 727.4902       100.8223 67.53631 6.469648 58.76508 4.086565 8.771233 
7.652213 
1 1 1 -16 0   8  o 156.8864 3.750381  5224.803       224.5932 5141.905       
413.6701 5259.452       267.4432 155.7844 6.324864 157.9884 4.032064 -2.203995 
7.500763 
1 1 1 -16 0   9  o 46.70358 4.559179  478.0569       71.09147 453.7507       
150.5588 485.0311       80.64828 45.43566 8.192043 47.97150 4.004358 -2.535839 
9.118359 
1 1 1 -16 0   10 o 68.97790 3.137247  932.8842       75.52930 1135.274       
167.4988 881.2283       84.62078 73.24849 5.446709 64.70731 3.114905 8.541183 
6.274493 
1 1 1 -16 0   11 o 204.1707 5.905169  8820.640       333.4483 9048.869       
947.7918 8788.400       356.2219 204.2146 11.05470 204.1268 4.156633 
0.8786011E-01  11.81034 
1 1 1 -16 0   12 o 24.33462 5.641956  57.35370       61.80394 247.0365       
134.9053 6.967719       69.52965 33.41165 9.287631 15.25759 6.408320 18.15406 
11.28391 
1 1 1 -16 0   13 o 70.28189 2.529858  1048.209       73.12983 1000.066       
114.1744 1081.700       95.22732 68.87685 3.948359 71.68693 3.164045 -2.810081 
5.059715 
1 1 1 -16 0   14 o 102.3791 2.232009  2199.240       90.27198 2227.896       
157.4244 2185.201       110.1880 102.8259 3.646622 101.9323 2.574801 0.8935776 
4.464017 
1 1 1 -16 0   15 o 138.4324 2.287964  3981.754       122.4069 4175.210       
224.2270 3899.626       146.0972 140.7090 3.795657 136.1559 2.555798 4.553162 
4.575928 
1 1 1 -16 0   16 o 45.94360 4.731271  446.0812       90.66110 490.7236       
138.2253 412.3767       120.1043 47.91925 6.870660 43.96796 6.506438 3.951290 
9.462543 
1 1 1 -16 0   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 0   18 o 89.99771 3.247550  1731.966       121.0795 1636.339       
183.9324 1805.094       160.8452 87.69627 4.995721 92.29916 4.150795 -4.602898 
6.495101 
1 1 1 -16 0   19 o 30.43967 6.010963  210.4356       82.50848 140.4619       
120.1955 272.7915       113.4644 26.16642 9.015959 34.71291 7.952308 -8.546486 
12.02193 
1 1 1 -16 0   20 o 65.04039 3.525990  904.8477       95.56379 902.1041       
144.0165 907.0061       127.7383 64.87830 5.287297 65.20248 4.666358 
-0.3241730     7.051980 
1 1 1 -16 0   21 o 44.17599 4.765968  429.4789       85.50034 516.0529       
125.5813 354.6730       116.7343 48.74994 6.135810 39.60204 7.294495 9.147896 
9.531937 
1 1 1 -16 0   22 o 81.17426 3.175578  1394.401       106.7222 1531.780       
168.2045 1301.833       138.0731 84.36800 4.748767 77.98051 4.217392 6.387482 
6.351156 
1 1 1 -16 0   23 o 47.75861 4.122216  503.7545       82.03442 460.1792       
119.7408 542.2980       112.6152 45.64512 6.248401 49.87210 5.378489 -4.226974 
8.244432 
1 1 1 -16 0   24 o 45.54259 4.415899  462.7942       84.18157 457.3819       
123.3507 467.5125       115.1712 45.18085 6.502921 45.90432 5.976009 
-0.7234764     8.831799 
1 1 1 -16 0   25 o 72.76999 3.365739  1143.586       101.8342 1266.344       
157.8241 1056.022       133.2942 75.95222 4.949415 69.58775 4.562464 6.364471 
6.731477 
1 1 1 -16 0   26 o 52.29263 4.864740  642.5527       104.4769 561.5108       
157.2310 706.6260       139.8049 48.68245 7.692842 55.90280 5.956756 -7.220348 
9.729480 
1 1 1 -16 0   27 o 34.37908 6.800043  317.6933       102.0039 311.9199       
145.5657 323.2634       142.9798 33.98870 9.712881 34.76946 9.519573 
-0.7807579     13.60009 
1 1 1 -16 0   28 o 33.21670 6.630496  309.0672       97.21217 270.2843       
152.7722 335.4552       126.0165 30.69847 10.17042 35.73493 8.509781 -5.036455 
13.26099 
1 1 1 -16 0   29 o 20.84833 6.306899  71.47851       96.19617 133.2217       
153.6223 31.65217       123.3801 23.18607 9.618711 18.51059 8.160164 4.675478 
12.61380 
1 1 1 -16 1   1  o 103.8835 4.208238  2294.290       179.2156 2196.927       
282.7563 2359.665       231.6994 101.9631 6.605266 105.8038 5.216084 -3.840714 
8.416476 
1 1 1 -16 1   2  o 164.9380 4.595940  5755.488       282.3651 5733.987       
542.9559 5763.458       330.5860 164.4735 7.863025 165.4025 4.760620 
-0.9289856     9.191880 
1 1 1 -16 1   3  o 100.0434 3.719671  2122.852       147.4105 2073.192       
253.2553 2148.298       181.2847 99.07597 6.088514 101.0107 4.274788 -1.934784 
7.439342 
1 1 1 -16 1   4  f 68.21326 3.976677  1026.605       108.4921 794.1757       
168.9663 1189.655       141.5189 61.27755 6.567799 75.14899 4.485516 -13.87144 
7.953353 
1 1 1 -16 1   5  o 61.23731 3.987776  794.0599       97.00554 784.9865       
166.2192 798.7465       119.4589 60.91202 6.499790 61.56260 4.621922 
-0.6505775     7.975552 
1 1 1 -16 1   6  o 78.27413 3.736736  1322.717       115.3327 1204.291       
196.0587 1385.383       142.6194 75.45290 6.189153 81.09536 4.188934 -5.642456 
7.473472 
1 1 1 -16 1   7  o 146.7132 3.491693  4589.372       191.9918 4437.487       
362.8736 4648.418       226.2540 144.8311 5.967806 148.5954 3.626704 -3.764313 
6.983387 
1 1 1 -16 1   8  o 154.5401 5.005447  5092.758       259.8238 5039.164       
577.7317 5106.347       290.9026 153.4796 8.965954 155.6005 4.453051 -2.120895 
10.01089 
1 1 1 -16 1   9  o 169.8357 4.054145  5710.806       169.2928 6611.381       
568.3742 5623.130       177.3422 176.1426 7.685833 163.5288 2.583086 12.61383 
8.108290 
1 1 1 -16 1   10 o 92.89710 3.165239  1776.408       91.34409 1889.159       
228.9000 1755.052       99.61989 94.44086 5.773070 91.35334 2.597423 3.087524 
6.330478 
1 1 1 -16 1   11 f 26.92201 5.856216  108.7843       63.56905 262.4994       
140.6007 69.28880       71.26937 34.39228 9.450548 19.45175 6.918687 14.94053 
11.71243 
1 1 1 -16 1   12 o 98.59512 2.537282  2027.136       99.09786 2109.477       
172.9668 1986.901       120.9094 100.0163 4.119198 97.17389 2.963682 2.842461 
5.074564 
1 1 1 -16 1   13 o 33.42509 4.618819  279.0817       60.14746 130.1201       
98.26588 368.3263       76.06006 25.06842 8.156771 41.78175 4.336018 -16.71333 
9.237638 
1 1 1 -16 1   14 o 47.40202 3.353398  447.0300       64.70497 604.3463       
108.7026 360.7020       80.52465 53.47803 4.841564 41.32600 4.641160 12.15203 
6.706795 
1 1 1 -16 1   15 o 100.5341 2.680536  2069.587       106.7495 2315.801       
189.2402 1954.676       129.2821 104.7268 4.304043 96.34132 3.196295 8.385498 
5.361072 
1 1 1 -16 1   16 o 105.5443 2.229188  2378.338       96.58946 2182.585       
149.8015 2517.632       126.3655 101.7308 3.507397 109.3579 2.752324 -7.627060 
4.458376 
1 1 1 -16 1   17 o 85.86630 2.634953  1549.269       88.93564 1580.966       
156.8254 1534.242       107.9776 86.41721 4.322523 85.31538 3.014583 1.101830 
5.269907 
1 1 1 -16 1   18 o 25.06463 6.869802  100.3038       94.76206 45.43521       
194.3880 117.4077       108.5316 25.71544 10.75335 24.41381 8.552317 1.301628 
13.73960 
1 1 1 -16 1   19 o 49.97278 4.092442  532.4669       85.60375 570.0644       
127.2302 501.3688       115.7119 51.56048 5.877522 48.38509 5.696230 3.175392 
8.184883 
1 1 1 -16 1   20 o 32.48359 5.438373  249.2625       81.84338 82.24805       
123.6572 379.4557       109.1783 23.03896 8.935063 41.92822 6.202277 -18.88926 
10.87675 
1 1 1 -16 1   21 o 40.49265 5.085591  374.1801       82.67757 300.9334       
122.3564 435.7231       112.1559 36.12912 8.245274 44.85617 5.955537 -8.727058 
10.17118 
1 1 1 -16 1   22 o 39.81127 5.116703  351.3741       82.25912 489.7126       
124.2672 243.4787       109.7454 47.30623 6.256901 32.31632 8.097764 14.98991 
10.23341 
1 1 1 -16 1   23 o 119.3293 3.272136  3079.062       162.7954 3010.083       
243.2883 3134.990       219.0669 117.9095 4.914659 120.7490 4.321299 -2.839424 
6.544272 
1 1 1 -16 1   24 o 55.08252 3.733072  655.5204       85.74631 757.8789       
130.2267 577.1801       113.9283 58.83037 5.272536 51.33467 5.286177 7.495697 
7.466144 
1 1 1 -16 1   25 o 20.73918 6.029604  57.38938       84.32288 57.13184       
117.0753 57.66697       121.5518 20.60566 8.455183 20.87269 8.598512 
-0.2670364     12.05921 
1 1 1 -16 1   26 o 32.67952 6.266590  275.3657       91.16630 195.2424       
133.7692 344.8570       124.5782 27.93477 9.516888 37.42426 8.155334 -9.489489 
12.53318 
1 1 1 -16 1   27 o 60.67497 4.152104  844.0394       104.8164 752.1401       
151.8545 927.6660       144.8584 57.11050 6.333339 64.23945 5.371098 -7.128952 
8.304209 
1 1 1 -16 1   28 o 34.33028 6.614438  320.2852       97.30201 328.1270       
148.6186 314.4019       128.7267 34.28167 9.819853 34.37888 8.864179 
-0.9720993E-01 13.22888 
1 1 1 -16 1   29 o 41.08300 6.177753  477.8092       103.0163 374.9807       
163.3858 545.6622       132.7218 34.90698 10.38808 47.25903 6.689266 -12.35205 
12.35551 
1 1 1 -16 1   30 o 23.59274 6.932250  122.9529       113.5827 279.1703       
184.2077 27.12652       144.2732 28.25200 10.91601 18.93348 8.547814 9.318525 
13.86450 
1 1 1 -16 2   1  o 44.35837 4.795933  428.1748       85.77595 367.7715       
126.0453 480.2759       117.0631 41.01820 7.604720 47.69854 5.845694 -6.680336 
9.591866 
1 1 1 -16 2   2  o 96.05518 3.662660  1998.909       134.0708 1815.921       
242.4099 2079.552       160.9238 92.70420 6.228337 99.40615 3.855921 -6.701950 
7.325320 
1 1 1 -16 2   3  o 120.8458 4.301978  3125.500       199.4761 2985.613       
361.3179 3186.829       239.2397 118.7113 7.249675 122.9803 4.633602 -4.269020 
8.603956 
1 1 1 -16 2   4  o 37.11681 5.901557  311.5040       88.86302 246.3276       
147.4815 348.6534       111.3444 33.63890 9.830155 40.59472 6.533112 -6.955814 
11.80311 
1 1 1 -16 2   5  o 57.32159 4.120283  715.8717       94.29453 617.6513       
153.5829 775.2966       119.4610 54.00107 6.774255 60.64210 4.692162 -6.641033 
8.240565 
1 1 1 -16 2   6  o 39.47419 5.579502  408.0505       89.79510 117.8217       
147.7472 578.0455       113.0751 26.61828 9.901207 52.33010 5.146791 -25.71182 
11.15900 
1 1 1 -16 2   7  o 219.7028 5.843242  9868.788       395.6774 10925.31       
1008.327 9676.487       430.1821 225.2581 10.66208 214.1475 4.784762 11.11060 
11.68648 
1 1 1 -16 2   8  f 37.74940 4.779819  305.6761       68.83813 314.7465       
122.7457 301.5143       83.14403 37.72608 7.993645 37.77272 5.242928 
-0.4663467E-01 9.559637 
1 1 1 -16 2   9  o 152.5486 3.925486  4679.445       149.9770 5238.295       
489.3648 4621.513       157.5588 156.8436 7.431679 148.2536 2.531387 8.590012 
7.850972 
1 1 1 -16 2   10 o 47.86359 4.265891  475.1693       71.82325 505.1742       
152.7010 466.6456       81.38808 48.68735 7.470449 47.03983 4.121129 1.647526 
8.531782 
1 1 1 -16 2   11 f 42.94264 4.384748  304.1089       67.95478 592.0439       
151.9511 232.1247       75.97580 52.76735 6.858983 33.11793 5.464283 19.64943 
8.769495 
1 1 1 -16 2   12 o 110.9893 2.710403  2612.225       115.0677 2556.810       
210.9769 2635.688       137.2839 110.0545 4.566128 111.9241 2.921576 -1.869568 
5.420805 
1 1 1 -16 2   13 o 161.4455 3.090689  5511.188       198.3654 5464.282       
339.6484 5535.470       244.3734 160.7874 5.031513 162.1036 3.590727 -1.316177 
6.181378 
1 1 1 -16 2   14 o 72.59952 2.637699  1104.312       77.52984 1135.203       
128.6768 1086.706       97.14220 73.35532 4.178204 71.84371 3.220626 1.511604 
5.275397 
1 1 1 -16 2   15 o 86.51445 2.363328  1578.673       82.39050 1569.897       
137.1421 1583.629       103.0623 86.28275 3.785890 86.74615 2.829899 
-0.4633942     4.726657 
1 1 1 -16 2   16 o 23.97341 5.290516  115.9308       58.73000 159.6333       
93.21156 87.15932       75.63069 26.96329 7.794290 20.98353 7.155927 5.979753 
10.58103 
1 1 1 -16 2   17 o 83.25871 2.329053  1462.501       79.68182 1461.370       
126.3255 1463.249       102.6863 83.19002 3.616937 83.32741 2.935254 
-0.1373901     4.658106 
1 1 1 -16 2   18 o 82.12296 2.560456  1424.951       85.81267 1428.613       
138.7478 1422.682       109.2041 82.14132 4.023328 82.10458 3.168054 
0.3673553E-01  5.120912 
1 1 1 -16 2   19 o 49.30702 4.274787  519.4766       88.28683 561.3530       
130.1970 483.8296       120.1234 51.13469 6.064661 47.47935 6.026203 3.655338 
8.549575 
1 1 1 -16 2   20 o 74.67182 6.475778  1206.137       203.0148 1206.137       
203.0148 0.000000       0.000000 74.67182 6.475778 ?        ?        ? ? 
1 1 1 -16 2   21 o 53.17770 4.004175  609.7916       89.10353 616.8209       
131.7295 603.8627       120.9787 53.40433 5.875266 52.95107 5.441959 0.4532661 
8.008349 
1 1 1 -16 2   22 o 20.30093 5.835038  44.16502       79.75586 -13.87349      
125.1361 83.87039       103.5021 18.81139 8.257710 21.79047 8.246266 -2.979082 
11.67008 
1 1 1 -16 2   23 o 23.23263 6.004577  104.2631       79.28828 45.32924       
118.7164 151.7202       106.5318 20.57623 8.490600 25.88903 8.492908 -5.312794 
12.00915 
1 1 1 -16 2   24 o 44.83611 4.492007  444.3210       84.08189 515.0005       
124.6234 385.2648       113.9162 48.15926 6.163690 41.51295 6.536164 6.646317 
8.984015 
1 1 1 -16 2   25 o 39.57521 5.917949  381.1895       95.37053 425.3801       
134.3625 336.3192       135.3919 42.25406 7.867587 36.89635 8.842486 5.357708 
11.83590 
1 1 1 -16 2   26 o 54.20247 4.564734  671.3622       103.4471 651.6617       
151.6491 688.5073       141.4729 53.23086 6.785744 55.17407 6.107443 -1.943211 
9.129467 
1 1 1 -16 2   27 o 22.24267 6.112027  83.39292       91.16439 -40.34697      
139.8135 174.9127       120.2408 18.08315 8.247184 26.40219 9.022830 -8.319031 
12.22405 
1 1 1 -16 2   28 o 49.55106 5.027672  585.5708       104.0690 616.5516       
156.4396 560.9771       139.3841 50.48255 7.381192 48.61956 6.828466 1.862984 
10.05534 
1 1 1 -16 2   29 o 22.65925 6.552306  101.9109       97.76462 190.6641       
157.8398 46.66705       124.5279 25.98707 10.09139 19.33142 8.360303 6.655643 
13.10461 
1 1 1 -16 2   30 f 44.47591 5.872791  528.7941       103.7200 614.8469       
166.3954 474.1122       132.6418 46.79492 8.793170 42.15691 7.787095 4.638012 
11.74558 
1 1 1 -16 3   1  o 86.36064 3.602997  1531.534       126.1047 1728.260       
212.7275 1424.946       156.5836 90.48248 5.599899 82.23880 4.535138 8.243683 
7.205994 
1 1 1 -16 3   2  o 131.6573 3.457449  3696.063       188.4584 3349.557       
282.9144 3972.469       252.6814 125.9908 5.348567 137.3239 4.382767 -11.33311 
6.914898 
1 1 1 -16 3   3  o 187.8613 4.384353  7386.708       326.4262 7690.661       
569.0757 7237.659       398.5035 190.4976 7.115438 185.2250 5.124525 5.272583 
8.768706 
1 1 1 -16 3   4  o 93.01186 3.514593  1822.803       131.2088 1832.018       
220.9022 1817.780       163.0959 93.12739 5.649939 92.89632 4.181823 0.2310715 
7.029186 
1 1 1 -16 3   5  o 80.67627 3.695549  1348.952       120.1108 1461.948       
203.9880 1288.985       148.6024 83.15811 5.842800 78.19443 4.526590 4.963684 
7.391098 
1 1 1 -16 3   6  o 111.7607 3.909727  2654.184       158.8388 2610.464       
316.0352 2668.960       183.7306 110.9516 6.784576 112.5697 3.887594 -1.618073 
7.819454 
1 1 1 -16 3   7  o 130.8972 3.942327  3612.515       173.4368 3641.022       
387.5564 3605.376       193.9408 130.9329 7.050295 130.8614 3.530032 
0.7145691E-01  7.884655 
1 1 1 -16 3   8  o 103.5021 3.798005  2201.839       124.8498 2363.401       
304.8555 2169.281       136.8527 105.4797 6.884082 101.5245 3.210729 3.955284 
7.596010 
1 1 1 -16 3   9  o 128.8721 4.048767  3351.318       147.9030 3747.162       
418.5389 3294.832       158.1039 132.6120 7.517510 125.1322 3.009502 7.479866 
8.097534 
1 1 1 -16 3   10 o 202.2162 5.988082  7903.646       281.0161 9836.854       
1019.110 7744.556       292.3504 212.7031 11.41217 191.7294 3.631918 20.97366 
11.97616 
1 1 1 -16 3   11 o 70.14855 3.495649  948.7487       82.81756 1198.659       
193.6649 892.8199       91.61719 75.18031 6.135753 65.11679 3.351236 10.06352 
6.991298 
1 1 1 -16 3   12 o 83.13534 2.594105  1488.708       81.84482 1378.705       
149.8482 1535.475       97.70595 80.83025 4.415691 85.44042 2.723822 -4.610168 
5.188211 
1 1 1 -16 3   13 f 71.51938 2.586041  1070.754       74.74655 1102.967       
124.6470 1052.666       93.40393 72.32007 4.105293 70.71869 3.145952 1.601379 
5.172083 
1 1 1 -16 3   14 o 197.9706 2.878800  8074.142       181.4301 8565.273       
440.7288 7973.931       199.0811 201.2080 5.217318 194.7332 2.435067 6.474731 
5.757600 
1 1 1 -16 3   15 o 36.83944 4.307939  274.5319       62.23177 451.9737       
101.3806 167.2453       78.83147 46.19794 5.227009 27.48094 6.849214 18.71700 
8.615878 
1 1 1 -16 3   16 o 22.09864 4.536304  102.1659       55.68000 -46.28391      
93.16219 184.6608       69.44859 15.24584 6.876657 28.95144 5.918091 -13.70560 
9.072607 
1 1 1 -16 3   17 f 78.08511 2.576000  1280.677       82.65508 1321.476       
132.0322 1254.383       105.9945 79.05695 3.977964 77.11327 3.273975 1.943680 
5.152000 
1 1 1 -16 3   18 o 121.8678 2.321643  3133.256       111.5516 3142.747       
194.7422 3128.621       136.0911 121.8847 3.805678 121.8510 2.660247 
0.3372192E-01  4.643285 
1 1 1 -16 3   19 o 97.80670 2.175148  2027.942       86.44524 1987.067       
140.5028 2052.839       109.6565 96.93667 3.452376 98.67674 2.646920 -1.740074 
4.350297 
1 1 1 -16 3   20 o 79.59103 3.238944  1349.594       106.6295 1352.276       
165.6105 1347.695       139.3585 79.55619 4.958325 79.62586 4.168697 
-0.6967163E-01 6.477888 
1 1 1 -16 3   21 o 25.12995 8.595537  133.1889       109.1220 0.000000       
0.000000 133.1889       109.1220 ?        ?        25.12995 8.595537 ? ? 
1 1 1 -16 3   22 o 43.85387 5.084375  445.9250       88.02835 337.2161       
130.8107 535.8999       119.0066 38.02723 8.417179 49.68051 5.705663 -11.65329 
10.16875 
1 1 1 -16 3   23 o 44.08374 4.933670  450.5475       86.12263 351.5185       
127.5941 533.4199       116.7223 38.73606 8.107473 49.43142 5.624345 -10.69535 
9.867339 
1 1 1 -16 3   24 o 25.18732 6.537647  134.4073       91.40467 100.3211       
139.2183 160.2336       121.1819 23.90440 9.429458 26.47024 9.058071 -2.565844 
13.07529 
1 1 1 -16 3   25 o 78.52172 3.718363  1360.081       121.9206 1325.560       
180.4862 1389.055       165.3499 77.39236 5.554780 79.65108 4.944623 -2.258728 
7.436726 
1 1 1 -16 3   26 o 62.35982 4.152589  881.7739       107.4507 761.4886       
155.2717 992.3127       148.8481 57.86070 6.391894 66.85894 5.302797 -8.998238 
8.305178 
1 1 1 -16 3   27 o 71.80185 3.928694  1148.591       117.6247 1271.687       
179.6019 1056.138       155.6503 75.00199 5.703732 68.60171 5.404258 6.400284 
7.857388 
1 1 1 -16 3   28 o 62.22338 4.174818  881.5264       108.2367 962.7717       
165.7800 821.1627       142.8963 64.49269 6.122697 59.95408 5.677058 4.538612 
8.349635 
1 1 1 -16 3   29 o 23.71977 6.570462  139.7959       94.34531 153.2449       
144.3141 129.7578       124.6781 24.40678 9.609083 23.03276 8.963783 1.374027 
13.14092 
1 1 1 -16 3   30 o 17.53299 5.737345  -24.44114      100.9512 -64.15730      
150.6924 7.895041       135.9728 16.97520 8.007253 18.09078 8.219028 -1.115576 
11.47469 
1 1 1 -16 4   1  o 348.5043 10.81830  26457.72       1352.804 27054.87       
2750.542 26267.18       1553.714 347.0858 18.87568 349.9227 10.57597 -2.836884 
21.63659 
1 1 1 -16 4   2  o 37.24116 5.966255  324.2764       91.08077 209.9636       
151.4769 389.0092       113.9885 31.60511 10.11375 42.87721 6.332214 -11.27210 
11.93251 
1 1 1 -16 4   3  o 55.40688 4.550892  676.1046       100.8077 547.2291       
159.9404 761.0441       129.8457 50.76525 7.504343 60.04852 5.150466 -9.283264 
9.101784 
1 1 1 -16 4   4  o 243.5416 7.458366  12894.63       665.9893 12426.60       
1296.960 13062.24       776.1305 239.0949 12.92044 247.9882 7.454607 -8.893356 
14.91673 
1 1 1 -16 4   5  o 125.8680 4.655582  3460.681       230.7717 3041.203       
388.8212 3688.807       286.7363 119.5671 7.745674 132.1689 5.167430 -12.60172 
9.311165 
1 1 1 -16 4   6  o 149.5413 4.855473  4713.608       251.0708 4804.583       
540.9548 4688.631       283.4493 149.9910 8.590471 149.0916 4.528384 0.8993225 
9.710945 
1 1 1 -16 4   7  f 227.4432 6.593635  10926.44       498.2157 11370.42       
1135.724 10820.64       554.4077 228.8015 11.82320 226.0848 5.840889 2.716705 
13.18727 
1 1 1 -16 4   8  o 111.7669 3.470940  2518.526       129.8539 2841.862       
299.8301 2443.876       144.0660 115.7782 6.168355 107.7556 3.184510 8.022606 
6.941880 
1 1 1 -16 4   9  o 82.48167 3.124087  1369.347       89.40620 1555.433       
196.9473 1321.044       100.3412 85.73181 5.471786 79.23153 3.016493 6.500282 
6.248173 
1 1 1 -16 4   10 o 187.0414 3.924271  7096.680       176.0122 7793.061       
599.9316 7031.094       184.1144 191.2124 7.473203 182.8704 2.398090 8.341995 
7.848541 
1 1 1 -16 4   11 o 136.0409 3.700778  3811.171       149.3070 4061.154       
395.9496 3769.733       161.2076 138.2229 6.823091 133.8590 2.868529 4.363876 
7.401556 
1 1 1 -16 4   12 o 65.56142 2.999520  923.4175       77.28778 857.6657       
133.0116 956.9334       94.96444 63.70759 4.973009 67.41525 3.355242 -3.707664 
5.999039 
1 1 1 -16 4   13 o 16.85896 4.910450  11.33587       59.04266 -66.81525      
98.86966 54.65438       73.60921 15.14297 6.915860 18.57494 6.972871 -3.431969 
9.820899 
1 1 1 -16 4   14 o 98.83894 2.628725  2047.020       103.7609 2097.941       
177.4563 2020.567       127.9040 99.70738 4.239213 97.97051 3.109638 1.736870 
5.257449 
1 1 1 -16 4   15 f 47.68440 3.413701  493.3987       66.22218 420.3485       
102.5790 545.5984       86.71239 44.52655 5.487325 50.84226 4.062350 -6.315716 
6.827403 
1 1 1 -16 4   16 o 103.5061 2.478116  2268.071       105.5916 2216.595       
165.5263 2303.392       137.1128 102.4611 3.847945 104.5511 3.123708 -2.089958 
4.956232 
1 1 1 -16 4   17 o 108.4332 2.160380  2467.667       93.91505 2516.616       
159.0942 2441.487       116.3502 109.1866 3.470612 107.6797 2.573678 1.506882 
4.320760 
1 1 1 -16 4   18 o 59.07739 2.900800  753.2909       69.75744 675.6682       
109.8806 805.6964       90.28485 56.40499 4.640069 61.74978 3.482575 -5.344788 
5.801600 
1 1 1 -16 4   19 o 121.5858 2.610875  3047.284       124.9565 3365.413       
223.6594 2902.925       150.6634 125.9172 4.230805 117.2544 3.060550 8.662811 
5.221751 
1 1 1 -16 4   20 o 94.67807 2.613220  1913.638       100.3278 1847.783       
163.1742 1953.667       127.2157 93.23206 4.168764 96.12409 3.152315 -2.892036 
5.226440 
1 1 1 -16 4   21 o 69.33186 2.776304  981.7601       76.03978 1143.452       
136.4984 909.0029       91.56317 73.17573 4.443054 65.48801 3.330275 7.687721 
5.552608 
1 1 1 -16 4   22 f 85.72820 4.163913  1563.735       133.6996 1679.580       
258.4481 1521.404       156.2287 87.18577 7.060717 84.27064 4.415762 2.915131 
8.327826 
1 1 1 -16 4   23 o 124.5597 3.735471  3372.865       194.1528 3356.613       
290.4089 3386.000       261.0747 124.0467 5.576293 125.0726 4.971913 -1.025902 
7.470942 
1 1 1 -16 4   24 o 104.8671 3.341378  2385.429       147.0946 2388.157       
209.6045 2382.782       206.4771 104.9018 4.759251 104.8323 4.691350 
0.6951904E-01  6.682756 
1 1 1 -16 4   25 o 18.35841 5.764669  -27.31807      89.82523 33.25773       
133.1037 -77.97715      121.7221 20.56239 8.760865 16.15444 7.494858 4.407957 
11.52934 
1 1 1 -16 4   26 o 56.42161 4.582134  693.7129       106.0089 888.4201       
174.1541 579.1036       133.6142 62.31416 6.656839 50.52905 6.298435 11.78511 
9.164268 
1 1 1 -16 4   27 o 32.21301 6.781637  275.4927       100.2115 223.7833       
144.3062 323.6550       139.2689 29.22171 9.884606 35.20432 9.287463 -5.982611 
13.56327 
1 1 1 -16 4   28 o 32.95163 6.730109  304.0626       101.2009 231.4479       
160.5404 351.9451       130.3649 29.00984 10.37740 36.89342 8.572455 -7.883574 
13.46022 
1 1 1 -16 4   29 o 26.41327 6.045115  168.3002       95.73749 -27.23710      
142.2186 330.3395       129.4648 18.00022 8.251474 34.82633 8.836674 -16.82611 
12.09023 
1 1 1 -16 4   30 o 38.00778 6.283481  436.1429       104.6069 286.0684       
160.1124 547.9080       138.1734 29.52518 10.38335 46.49039 7.079171 -16.96521 
12.56696 
1 1 1 -16 5   1  o 113.9151 4.192698  2797.036       181.1409 2620.693       
332.8294 2871.252       215.9201 111.1225 7.134127 116.7077 4.406712 -5.585197 
8.385397 
1 1 1 -16 5   2  o 162.5354 4.711048  5510.445       298.3767 5839.257       
539.4007 5365.472       358.1641 165.6959 7.753913 159.3750 5.352825 6.320877 
9.422096 
1 1 1 -16 5   3  o 112.2032 3.336257  2618.988       148.2576 2766.727       
259.7332 2547.587       180.5633 114.4305 5.406384 109.9759 3.910686 4.454597 
6.672514 
1 1 1 -16 5   4  o 50.39439 4.628722  519.1995       95.04996 617.7106       
159.1740 464.6047       118.4965 53.93927 7.028913 46.84953 6.024504 7.089741 
9.257443 
1 1 1 -16 5   5  o 82.24657 3.565149  1432.000       112.2715 1420.344       
206.1325 1436.915       133.8703 81.90511 5.994550 82.58802 3.860897 
-0.6829071     7.130299 
1 1 1 -16 5   6  o 276.0989 8.178385  16809.32       714.0890 16092.89       
1691.312 16964.74       787.7447 269.4659 14.94999 282.7320 6.636385 -13.26611 
16.35677 
1 1 1 -16 5   7  o 77.39664 3.518482  1278.952       104.5733 1231.973       
189.5763 1299.498       125.3728 76.26113 5.921093 78.53216 3.802567 -2.271027 
7.036964 
1 1 1 -16 5   8  o 89.28786 2.892948  1584.856       88.11323 1849.536       
199.9234 1521.048       98.16129 93.53937 5.090849 85.03636 2.749518 8.503006 
5.785896 
1 1 1 -16 5   9  o 97.31555 3.374537  2003.564       106.6783 1995.410       
248.5422 2005.405       118.1113 97.00156 6.102988 97.62955 2.881583 
-0.6279984     6.749073 
1 1 1 -16 5   10 o 133.1906 4.578833  3363.719       148.4706 4291.506       
514.9942 3279.616       155.0540 141.5370 8.666693 124.8443 2.958253 16.69276 
9.157665 
1 1 1 -16 5   11 o 54.71541 4.020707  576.0106       76.95889 742.4223       
172.0300 534.3742       86.04956 59.08881 6.934578 50.34201 4.071357 8.746807 
8.041413 
1 1 1 -16 5   12 o 35.63495 4.898037  306.8476       65.36386 197.9806       
115.1514 358.6009       79.39436 30.05591 8.655011 41.21399 4.588450 -11.15808 
9.796075 
1 1 1 -16 5   13 o 91.91293 2.404357  1815.783       89.78510 1617.903       
141.9107 1947.864       115.9404 87.60853 3.858245 96.21735 2.870136 -8.608818 
4.808714 
1 1 1 -16 5   14 o 182.5358 3.434741  6999.237       242.3699 7160.054       
440.9438 6929.615       290.1287 183.7800 5.714866 181.2915 3.811836 2.488495 
6.869483 
1 1 1 -16 5   15 o 196.7968 2.730952  8079.308       202.7790 8383.894       
385.9145 7963.138       238.3324 199.1127 4.616503 194.4808 2.918955 4.631912 
5.461904 
1 1 1 -16 5   16 o 103.4199 2.326673  2277.679       99.42018 2112.130       
151.5869 2402.647       131.7032 100.0429 3.609080 106.7968 2.937374 -6.753922 
4.653345 
1 1 1 -16 5   17 o 59.03400 2.930380  704.7685       70.91134 906.2353       
116.5480 586.3516       89.35319 65.42276 4.243235 52.64523 4.042705 12.77753 
5.860760 
1 1 1 -16 5   18 o 72.32750 2.719203  1104.746       80.35406 1117.460       
129.8072 1096.848       102.3136 72.59765 4.258898 72.05736 3.382019 0.5402908 
5.438406 
1 1 1 -16 5   19 o 14.51272 4.617774  -37.91954      59.04079 -72.72587      
93.33575 -14.70210      76.23001 14.27687 6.600421 14.74857 6.459861 
-0.4716959     9.235549 
1 1 1 -16 5   20 f 52.62561 3.135300  583.6091       68.22623 624.7648       
107.5970 555.9344       88.23207 54.10765 4.736556 51.14358 4.109192 2.964073 
6.270600 
1 1 1 -16 5   21 o 33.97179 4.557778  253.2296       61.89487 295.2291       
97.11400 224.4984       80.32236 36.29071 6.619344 31.65286 6.267190 4.637857 
9.115557 
1 1 1 -16 5   22 o 19.71927 5.211754  47.23586       62.36007 128.3188       
93.95133 -16.61768      83.37402 24.21114 7.975692 15.22741 6.711026 8.983738 
10.42351 
1 1 1 -16 5   23 o 109.0847 3.757267  2562.742       169.9804 2742.130       
265.0425 2437.408       221.5412 112.0630 5.633451 106.1065 4.973174 5.956490 
7.514534 
1 1 1 -16 5   24 o 81.96590 7.036688  1514.826       242.1477 1514.826       
242.1477 0.000000       0.000000 81.96590 7.036688 ?        ?        ? ? 
1 1 1 -16 5   25 o 25.57673 6.516306  146.9359       90.68841 109.2252       
135.9893 177.1391       121.7023 23.92732 9.351362 27.22612 9.077500 -3.298800 
13.03261 
1 1 1 -16 5   26 o 44.08685 5.603752  480.8228       98.13386 365.7768       
147.3245 572.5820       131.5721 37.88628 9.315078 50.28743 6.231970 -12.40115 
11.20750 
1 1 1 -16 5   27 o 93.30417 3.845845  1961.813       148.1063 1900.183       
228.7325 2006.309       194.3503 91.43416 5.958549 95.17417 4.863929 -3.740013 
7.691690 
1 1 1 -16 5   28 o 27.88540 5.733623  170.2950       95.31777 -72.82655      
139.8356 381.2968       130.2714 17.04811 7.957000 38.72268 8.257353 -21.67458 
11.46725 
1 1 1 -16 5   29 o 22.98306 6.564820  120.2495       97.98696 115.0802       
140.1649 125.1907       137.0370 22.79574 9.285482 23.17039 9.282633 
-0.3746490     13.12964 
1 1 1 -16 5   30 o 22.15895 6.423148  120.0283       97.29707 73.85066       
146.9168 156.1034       129.8550 20.64219 9.005175 23.67571 9.161559 -3.033525 
12.84630 
1 1 1 -16 6   1  o 74.83376 3.903488  1236.587       114.7758 1019.173       
190.3004 1360.893       143.8937 69.32517 6.538373 80.34235 4.265975 -11.01718 
7.806975 
1 1 1 -16 6   2  o 127.9120 3.440924  3342.554       169.5609 3734.835       
316.7181 3184.946       200.7544 132.8716 5.677563 122.9524 3.889101 9.919159 
6.881847 
1 1 1 -16 6   3  o 114.3795 4.262771  2793.273       190.0478 2708.680       
335.9587 2833.082       230.4673 112.9032 7.087623 115.8558 4.738192 -2.952538 
8.525541 
1 1 1 -16 6   4  o 65.65444 4.103685  965.0394       105.3743 743.5594       
172.0825 1097.910       133.2858 59.16283 6.928014 72.14606 4.400403 -12.98323 
8.207371 
1 1 1 -16 6   5  o 130.5524 3.595349  3553.701       190.4873 3785.435       
316.7690 3422.435       238.4102 133.7428 5.641484 127.3621 4.458675 6.380676 
7.190697 
1 1 1 -16 6   6  o 52.52733 4.304277  605.9758       86.51353 531.3232       
153.5808 640.6752       104.7067 49.95813 7.322374 55.09654 4.526592 -5.138412 
8.608554 
1 1 1 -16 6   7  o 93.15703 3.614725  1876.696       124.2810 1745.074       
238.0707 1926.003       145.7116 90.69794 6.252154 95.61613 3.629810 -4.918190 
7.229451 
1 1 1 -16 6   8  o 198.0149 4.335413  8293.801       270.0645 8348.914       
656.3904 8282.570       296.3062 197.7385 7.906640 198.2912 3.559250 
-0.5526276     8.670825 
1 1 1 -16 6   9  o 60.03911 3.729173  764.8266       73.98741 758.5607       
168.3622 766.3263       82.36699 59.74539 6.712145 60.33282 3.251776 
-0.5874329     7.458346 
1 1 1 -16 6   10 o 155.9131 3.350266  5049.121       165.6029 5264.360       
402.5492 5005.273       181.6895 157.5750 6.084888 154.2511 2.805579 3.323959 
6.700533 
1 1 1 -16 6   11 o 158.3416 4.928064  5238.625       202.1988 5452.325       
622.6876 5213.437       213.7836 159.3119 9.309855 157.3712 3.235715 1.940750 
9.856128 
1 1 1 -16 6   12 o 111.4051 2.178433  2560.424       91.47575 2729.502       
175.5497 2497.403       107.1764 113.8187 3.673731 108.9915 2.342218 4.827164 
4.356867 
1 1 1 -16 6   13 f 117.4500 2.348136  2863.094       105.9197 3008.390       
196.2712 2803.391       125.8129 119.4495 3.913750 115.4504 2.595677 3.999153 
4.696273 
1 1 1 -16 6   14 o 150.1332 2.807877  4751.831       161.0862 4762.957       
297.6095 4747.221       191.5753 150.1033 4.722561 150.1631 3.038767 
-0.5975342E-01 5.615753 
1 1 1 -16 6   15 o 92.04330 2.339879  1816.935       88.46074 1603.894       
135.1178 1976.750       117.0279 87.19321 3.691057 96.89340 2.876844 -9.700188 
4.679758 
1 1 1 -16 6   16 o 149.3842 2.291506  4693.135       134.0308 4739.701       
237.5535 4671.389       162.3378 149.8068 3.777033 148.9616 2.595770 0.8452148 
4.583013 
1 1 1 -16 6   17 o 169.3575 3.107228  6058.145       208.3697 6141.265       
361.4967 6016.788       254.9920 169.9588 5.066194 168.7563 3.599047 1.202408 
6.214456 
1 1 1 -16 6   18 o 114.6793 2.661161  2787.121       124.9334 2763.392       
199.7403 2802.371       160.1216 114.1745 4.166944 115.1841 3.311148 -1.009583 
5.322323 
1 1 1 -16 6   19 o 35.80208 4.415363  270.0039       63.60619 375.0054       
100.0991 198.8953       82.37469 41.82632 5.700352 29.77783 6.744457 12.04849 
8.830726 
1 1 1 -16 6   20 o 99.81116 2.431509  2097.448       99.88477 2172.888       
158.9175 2048.184       128.4223 101.2046 3.740181 98.41773 3.108051 2.786865 
4.863017 
1 1 1 -16 6   21 o 97.29399 2.220156  1994.332       89.13490 2061.259       
140.5909 1949.349       115.2609 98.57814 3.397017 96.00983 2.859482 2.568306 
4.440311 
1 1 1 -16 6   22 o 73.91469 3.241293  1175.429       99.88873 1150.790       
149.3688 1195.362       134.3498 73.10781 4.866506 74.72157 4.282644 -1.613762 
6.482586 
1 1 1 -16 6   23 o 27.54799 6.185237  176.6276       81.52662 141.1983       
121.5797 205.5745       109.8957 25.58440 9.042921 29.51158 8.441222 -3.927181 
12.37047 
1 1 1 -16 6   24 o 42.53550 5.759918  447.9615       98.14552 273.1656       
144.8694 596.2479       133.4324 33.22884 9.753102 51.84216 6.130549 -18.61332 
11.51984 
1 1 1 -16 6   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 6   26 o 52.07174 4.713466  632.3501       100.4842 517.2001       
148.2235 730.2751       136.6885 47.01657 7.509088 57.12691 5.699180 -10.11034 
9.426932 
1 1 1 -16 6   27 o 19.06329 5.956976  3.475098       92.83308 20.77547       
142.1834 -9.379910      122.5625 20.14764 8.823522 17.97894 8.005481 2.168703 
11.91395 
1 1 1 -16 6   28 o 53.07525 5.593448  736.6716       110.1989 422.1235       
161.8831 1008.305       150.4354 39.37463 9.815935 66.77586 5.366010 -27.40123 
11.18690 
1 1 1 -16 6   29 o 16.48426 5.447119  -65.88025      93.88811 -106.9186      
141.4073 -33.52617      125.5571 16.06149 7.654994 16.90702 7.751484 
-0.8455296     10.89424 
1 1 1 -16 6   30 o 23.31720 6.586782  146.2741       96.82724 158.8015       
144.0813 135.9569       130.7553 23.87536 9.537363 22.75905 9.087436 1.116306 
13.17356 
1 1 1 -16 7   1  o 127.3602 4.325172  3384.795       204.9464 3554.239       
399.7693 3324.384       238.7009 129.2115 7.369351 125.5089 4.530026 3.702644 
8.650345 
1 1 1 -16 7   2  o 132.4909 4.199044  3726.186       227.3893 3685.663       
364.8511 3751.922       290.7673 131.7596 6.595602 133.2222 5.198646 -1.462555 
8.398088 
1 1 1 -16 7   3  o 92.82231 3.706365  1757.356       127.6253 1960.294       
253.6886 1688.591       147.6732 96.13742 6.285351 89.50720 3.929750 6.630219 
7.412731 
1 1 1 -16 7   4  o 41.07439 5.715770  359.4302       92.93307 433.8233       
152.4357 315.4236       117.2409 44.33565 8.492337 37.81314 7.652472 6.522511 
11.43154 
1 1 1 -16 7   5  o 92.11614 3.779676  1780.499       140.4175 1846.800       
235.5944 1743.971       174.8717 93.34199 6.011862 90.89030 4.582719 2.451691 
7.559352 
1 1 1 -16 7   6  o 70.15677 3.593437  974.6953       95.66560 1196.222       
186.8426 895.9868       111.3714 75.12895 5.923655 65.18459 4.069581 9.944366 
7.186875 
1 1 1 -16 7   7  o 158.2282 4.838381  5174.913       251.6944 5566.425       
587.5149 5086.906       278.5503 161.1770 8.682341 155.2793 4.272785 5.897705 
9.676763 
1 1 1 -16 7   8  o 18.72019 5.424676  23.36052       69.98601 -155.1855      
148.1882 74.61713       79.39874 17.09958 8.029905 20.34080 7.295825 -3.241224 
10.84935 
1 1 1 -16 7   9  o 141.1689 4.038428  4021.888       154.3314 4487.035       
460.5027 3963.034       163.8042 145.0866 7.560071 137.2511 2.842696 7.835526 
8.076856 
1 1 1 -16 7   10 o 151.2956 4.553452  4649.626       193.6351 5148.077       
551.7279 4579.606       206.7889 155.1095 8.472423 147.4816 3.339722 7.627853 
9.106903 
1 1 1 -16 7   11 o 143.7431 3.308725  3969.924       115.9755 4869.549       
398.6448 3886.742       121.2187 151.4979 6.267591 135.9883 2.123191 15.50952 
6.617450 
1 1 1 -16 7   12 o 168.8008 3.067034  5991.436       186.9411 6055.628       
378.3698 5970.706       215.0176 169.1702 5.327381 168.4313 3.040691 0.7388763 
6.134068 
1 1 1 -16 7   13 o 76.72941 2.553400  1214.675       76.74523 1312.708       
138.0788 1170.853       92.31832 78.87250 4.169868 74.58632 2.948152 4.286179 
5.106800 
1 1 1 -16 7   14 o 134.4903 2.367700  3793.375       123.3576 3857.806       
223.3603 3765.098       147.9715 135.2116 3.934713 133.7690 2.634776 1.442627 
4.735399 
1 1 1 -16 7   15 o 53.01678 2.940415  572.3792       64.24384 736.9720       
102.6617 466.4369       82.36410 59.05481 4.140705 46.97876 4.175971 12.07605 
5.880830 
1 1 1 -16 7   16 o 117.4484 2.083812  2895.352       98.01417 2945.838       
166.3322 2868.495       121.3140 118.1619 3.352894 116.7350 2.475318 1.426933 
4.167625 
1 1 1 -16 7   17 f 90.67661 2.340200  1710.297       87.48495 1867.113       
139.8450 1609.465       112.1378 94.00364 3.543426 87.34957 3.057822 6.654068 
4.680400 
1 1 1 -16 7   18 o 110.0072 2.221380  2532.179       100.9424 2679.830       
159.4593 2433.448       130.3950 112.6106 3.372808 107.4038 2.891760 5.206741 
4.442760 
1 1 1 -16 7   19 o 65.21964 2.721700  900.6451       73.83739 910.4911       
112.5614 893.2082       97.82594 65.48978 4.093898 64.94949 3.587561 0.5402908 
5.443399 
1 1 1 -16 7   20 o 33.40705 4.563356  237.7326       62.14041 325.0356       
97.18869 177.3633       80.81815 38.81005 5.964754 28.00405 6.907864 10.80601 
9.126712 
1 1 1 -16 7   21 o 44.21566 5.123497  433.0374       91.81047 533.1601       
135.6680 348.4449       124.7031 49.41786 6.539050 39.01346 7.889340 10.40440 
10.24699 
1 1 1 -16 7   22 o 107.1208 3.042988  2461.519       136.5196 2411.409       
198.8979 2506.156       187.7221 106.0035 4.469212 108.2381 4.131012 -2.234543 
6.085977 
1 1 1 -16 7   23 o 37.95590 5.598477  336.4927       86.11260 346.8484       
126.7894 327.6256       117.3239 38.41587 8.112778 37.49593 7.717165 0.9199409 
11.19695 
1 1 1 -16 7   24 o 36.78931 5.487254  322.2721       81.46420 300.2820       
124.1539 338.8976       107.9530 35.28921 8.474032 38.28942 6.973563 -3.000206 
10.97451 
1 1 1 -16 7   25 o 28.14840 6.095840  197.4451       80.68199 138.5875       
131.3634 233.0965       102.2380 25.20593 9.344023 31.09086 7.831113 -5.884928 
12.19168 
1 1 1 -16 7   26 o 30.39990 7.863019  229.6458       115.1624 206.8462       
276.9407 234.4127       126.6302 30.39670 12.77922 30.40310 9.165133 
-0.6402969E-02 15.72604 
1 1 1 -16 7   27 o 29.06441 6.519075  220.6897       94.94641 128.1289       
143.5818 292.6165       126.5703 24.39181 9.590552 33.73702 8.832591 -9.345217 
13.03815 
1 1 1 -16 7   28 o 60.02351 4.626741  854.0992       111.9031 599.2208       
156.8454 1118.350       159.7030 49.78098 7.504632 70.26604 5.413633 -20.48506 
9.253482 
1 1 1 -16 7   29 o 34.19517 6.557747  331.9440       100.4084 238.0378       
145.2156 417.9672       138.9869 28.74265 9.909399 39.64770 8.591857 -10.90505 
13.11549 
1 1 1 -16 7   30 o 15.96710 5.357017  -79.10525      96.48094 -83.26456      
144.3757 -75.74898      129.6918 16.29689 7.752339 15.63732 7.395387 0.6595736 
10.71403 
1 1 1 -16 8   1  o 170.0948 5.212655  6217.284       343.0563 6022.191       
613.8796 6305.877       413.6797 167.6386 8.722282 172.5509 5.710418 -4.912292 
10.42531 
1 1 1 -16 8   2  o 22.59418 6.426968  45.64513       91.21070 89.46664       
149.3287 19.56664       115.1969 25.27400 9.815327 19.91436 8.299580 5.359634 
12.85394 
1 1 1 -16 8   3  o 73.99806 3.421572  1160.230       103.3892 1141.945       
166.1199 1171.790       132.0900 73.46436 5.385997 74.53175 4.221334 -1.067390 
6.843144 
1 1 1 -16 8   4  o 50.44947 4.850161  534.2184       98.99416 567.0690       
165.6715 515.9760       123.4581 51.56123 7.653243 49.33770 5.960211 2.223530 
9.700321 
1 1 1 -16 8   5  o 133.3985 3.823426  3858.690       197.5227 3516.509       
347.3217 4022.261       240.1365 128.6989 6.428034 138.0980 4.141826 -9.399078 
7.646852 
1 1 1 -16 8   6  o 129.3231 3.296627  3509.302       152.2317 3574.494       
313.7532 3489.230       174.0974 129.9034 5.752928 128.7429 3.220995 1.160461 
6.593253 
1 1 1 -16 8   7  o 182.8886 5.430896  7093.567       326.5119 7198.470       
750.8434 7069.103       362.5904 182.8207 9.782394 182.9565 4.720518 
-0.1358032     10.86179 
1 1 1 -16 8   8  o 133.4086 3.445539  3637.039       155.8912 3971.646       
351.0092 3554.823       173.9924 136.8632 6.108756 129.9541 3.189050 6.909149 
6.891077 
1 1 1 -16 8   9  o 108.6576 3.089538  2564.343       113.4481 2367.577       
246.1495 2617.413       127.8351 105.7635 5.543499 111.5516 2.729576 -5.788086 
6.179075 
1 1 1 -16 8   10 o 162.7996 4.779633  5520.042       231.0582 5794.984       
608.6968 5473.755       249.7514 164.4182 8.818043 161.1810 3.690754 3.237152 
9.559265 
1 1 1 -16 8   11 o 121.8759 3.730854  3005.627       124.5347 3327.396       
366.0619 2963.512       132.4341 125.0521 6.972435 118.6998 2.657486 6.352386 
7.461707 
1 1 1 -16 8   12 o 218.3490 3.047213  9915.923       214.9319 10295.28       
509.7197 9833.884       237.0352 220.4753 5.506715 216.2228 2.611153 4.252441 
6.094426 
1 1 1 -16 8   13 o 99.25861 2.141647  2035.869       82.78416 2176.601       
150.2377 1974.509       99.20315 101.6248 3.521276 96.89239 2.438691 4.732445 
4.283294 
1 1 1 -16 8   14 o 111.2043 2.301366  2598.938       104.2811 2635.281       
169.7954 2576.927       132.1380 111.7760 3.618249 110.6325 2.844894 1.143478 
4.602733 
1 1 1 -16 8   15 o 159.3975 2.664844  5348.224       172.3061 5431.438       
283.7889 5299.636       216.8526 160.2570 4.217929 158.5379 3.258011 1.719162 
5.329687 
1 1 1 -16 8   16 o 101.5942 2.023790  2193.136       85.50224 2010.161       
126.5845 2346.661       115.9509 97.63216 3.088223 105.5562 2.616444 -7.924065 
4.047580 
1 1 1 -16 8   17 o 71.03517 2.480438  1047.502       72.88483 1174.364       
115.5546 963.6887       93.92439 74.51768 3.693592 67.55267 3.311745 6.965012 
4.960875 
1 1 1 -16 8   18 o 70.12787 2.659557  1051.899       77.43073 947.5829       
114.6319 1139.433       105.0072 66.84338 4.084775 73.41236 3.406990 -6.568977 
5.319114 
1 1 1 -16 8   19 o 116.6876 2.622665  2850.584       123.8941 3018.441       
206.9499 2756.818       154.6746 119.1955 4.135486 114.1796 3.226646 5.015816 
5.245330 
1 1 1 -16 8   20 o 21.21641 5.982265  41.32069       83.74107 -25.08308      
115.1617 115.8305       121.9884 17.78793 7.857169 24.64490 9.023018 -6.856968 
11.96453 
1 1 1 -16 8   21 o 38.34451 5.504278  334.8350       85.23616 312.6436       
114.7433 362.1573       127.3195 36.94430 7.655447 39.74471 7.910905 -2.800404 
11.00856 
1 1 1 -16 8   22 o 74.35440 3.285175  1184.108       101.2096 1222.913       
157.3131 1156.702       132.2033 75.25446 4.979134 73.45434 4.286924 1.800117 
6.570349 
1 1 1 -16 8   23 o 26.23130 6.049999  135.3601       84.29688 258.3903       
124.9720 32.65288       114.1846 32.79066 8.865457 19.67195 8.234902 13.11870 
12.10000 
1 1 1 -16 8   24 o 46.78594 4.311969  486.6865       84.64219 471.8774       
120.3998 501.1570       119.0164 46.02480 6.230962 47.54709 5.962165 -1.522289 
8.623938 
1 1 1 -16 8   25 o 25.95102 6.071150  161.7148       78.58737 114.3021       
125.6342 192.1915       100.7267 23.73590 9.055075 28.16613 8.089567 -4.430229 
12.14230 
1 1 1 -16 8   26 o 21.20089 5.846316  59.65682       74.99327 156.7400       
126.0444 6.457582       93.30489 25.74340 9.196514 16.65839 7.220926 9.085009 
11.69263 
1 1 1 -16 8   27 o 97.19454 3.925191  2128.722       159.2930 2125.669       
237.4615 2131.221       214.7895 96.77024 5.844839 97.61884 5.240835 
-0.8486023     7.850381 
1 1 1 -16 8   28 o 40.21562 9.151027  427.4046       151.0746 427.4046       
151.0746 0.000000       0.000000 40.21562 9.151027 ?        ?        ? ? 
1 1 1 -16 8   29 o 48.60106 5.752442  624.4464       109.6624 477.1495       
164.1461 743.1857       147.3775 41.22482 9.645531 55.97730 6.271051 -14.75248 
11.50488 
1 1 1 -16 8   30 o 25.21547 6.794341  188.8512       99.58017 182.1997       
149.3856 194.1705       133.5898 24.86102 9.780103 25.56992 9.434079 
-0.7089081     13.58868 
1 1 1 -16 9   1  o 121.7948 4.295564  3188.208       211.5715 2975.924       
343.0011 3318.579       268.7986 118.3003 6.906067 125.2892 5.110158 -6.988914 
8.591128 
1 1 1 -16 9   2  o 64.96121 3.952562  869.9742       102.2304 966.5749       
179.0216 823.2294       124.5324 67.49080 6.318034 62.43163 4.751149 5.059174 
7.905123 
1 1 1 -16 9   3  o 63.66442 4.248139  877.1212       108.4751 794.1949       
177.5643 926.4973       137.0149 61.11217 6.920684 66.21666 4.928577 -5.104485 
8.496278 
1 1 1 -16 9   4  o 146.5277 3.899667  4505.002       230.2288 4683.010       
387.3123 4407.735       286.3009 148.5864 6.208738 144.4690 4.720295 4.117371 
7.799334 
1 1 1 -16 9   5  o 125.0615 3.846941  3291.027       175.3405 3346.815       
350.3823 3272.389       202.5233 125.5196 6.648926 124.6034 3.871382 0.9162140 
7.693882 
1 1 1 -16 9   6  o 42.60523 5.319685  340.6902       85.04783 523.5466       
170.1433 279.7835       98.19562 49.49534 8.187881 35.71513 6.793734 13.78022 
10.63937 
1 1 1 -16 9   7  o 58.13528 4.057423  719.9720       85.81517 707.1808       
170.4092 724.3180       99.32923 57.65821 7.039679 58.61235 4.036538 
-0.9541397     8.114845 
1 1 1 -16 9   8  o 35.94125 5.670085  241.3864       70.63267 377.4705       
159.1303 207.9970       78.82295 41.12465 9.415154 30.75786 6.320943 10.36679 
11.34017 
1 1 1 -16 9   9  o 127.0346 3.419231  3492.787       139.2198 3279.827       
325.0063 3540.646       154.0710 124.3389 6.225954 129.7302 2.828790 -5.391342 
6.838462 
1 1 1 -16 9   10 f 77.89568 3.565612  1166.007       92.81429 1483.204       
220.4575 1097.672       102.3246 83.59473 6.281553 72.19661 3.375860 11.39812 
7.131223 
1 1 1 -16 9   11 o 71.27570 3.642469  1132.644       90.33565 970.4116       
184.3630 1183.900       103.6281 67.57220 6.498704 74.97919 3.291985 -7.406990 
7.284938 
1 1 1 -16 9   12 o 75.24741 2.544691  1182.418       76.45838 1229.017       
131.2348 1158.474       94.07326 76.31392 4.096060 74.18090 3.020613 2.133018 
5.089382 
1 1 1 -16 9   13 o 42.13068 3.891473  386.7389       66.58836 328.0387       
103.3889 428.3482       87.04619 39.25797 6.272883 45.00338 4.607080 -5.745403 
7.782946 
1 1 1 -16 9   14 o 85.91167 2.673988  1555.642       92.49134 1567.463       
154.7364 1549.071       115.3699 86.09622 4.280844 85.72711 3.205498 0.3691101 
5.347975 
1 1 1 -16 9   15 o 92.76994 2.551495  1818.835       96.60645 1810.972       
155.9070 1823.736       123.0836 92.54211 4.012797 92.99777 3.152453 
-0.4556656     5.102990 
1 1 1 -16 9   16 o 104.9919 2.353915  2327.449       101.8337 2326.221       
160.1151 2328.282       131.9624 104.9110 3.635233 105.0728 2.991446 
-0.1617203     4.707830 
1 1 1 -16 9   17 o 159.7484 2.402199  5426.977       155.8891 5253.213       
252.6839 5533.751       198.0764 157.5307 3.820615 161.9660 2.912928 -4.435303 
4.804399 
1 1 1 -16 9   18 o 136.4394 2.715185  3933.043       148.2104 3985.897       
251.6948 3904.988       183.3736 136.9444 4.377752 135.9345 3.213130 1.009857 
5.430369 
1 1 1 -16 9   19 o 98.68159 2.953737  2007.009       118.2651 2316.166       
199.5674 1839.671       146.8236 104.2364 4.560276 93.12677 3.755280 11.10965 
5.907474 
1 1 1 -16 9   20 o 104.8953 3.282758  2352.690       144.5050 2370.882       
207.7903 2335.651       201.0959 105.2630 4.701870 104.5277 4.582402 0.7353134 
6.565516 
1 1 1 -16 9   21 o 61.09882 3.928987  812.6213       98.66933 615.5931       
136.8315 1026.057       142.4150 53.13523 6.133727 69.06242 4.911736 -15.92719 
7.857974 
1 1 1 -16 9   22 o 23.27441 6.255196  94.37050       85.60766 134.7537       
124.2222 57.84399       118.1416 25.39206 9.123917 21.15676 8.559441 4.235300 
12.51039 
1 1 1 -16 9   23 o 23.05367 6.078111  85.11623       83.33749 175.2322       
123.7822 10.40260       112.7086 27.50574 9.154737 18.60161 7.997781 8.904129 
12.15622 
1 1 1 -16 9   24 o 55.75272 4.010133  677.3105       93.20473 793.3174       
141.0570 587.4113       124.1740 59.96619 5.602852 51.53924 5.738702 8.426952 
8.020266 
1 1 1 -16 9   25 o 16.11908 5.195780  -55.16770      79.78826 -135.4949      
124.3394 1.063836       104.0321 14.88958 7.115819 17.34859 7.572955 -2.459018 
10.39156 
1 1 1 -16 9   26 o 37.39417 5.352877  365.2302       79.22640 227.7773       
128.5703 449.3740       100.5946 29.86095 9.282813 44.92739 5.333157 -15.06645 
10.70575 
1 1 1 -16 9   27 f 53.22955 3.901736  597.3788       84.30034 833.7905       
142.4403 469.9336       104.5828 60.76515 5.583409 45.69396 5.451580 15.07119 
7.803472 
1 1 1 -16 9   28 o 59.68179 4.765861  834.7286       118.0513 894.0145       
183.2278 792.6526       154.3591 61.05919 7.147619 58.30440 6.305971 2.754787 
9.531722 
1 1 1 -16 9   29 o 25.27972 10.50519  163.9263       183.7318 163.9263       
183.7318 0.000000       0.000000 25.27972 10.50519 ?        ?        ? ? 
1 1 1 -16 9   30 o 37.84916 6.566305  423.9500       104.2829 370.3131       
152.5622 470.9890       142.8710 34.49855 9.971314 41.19977 8.546247 -6.701221 
13.13261 
1 1 1 -16 10  1  o 98.26674 4.251453  1993.487       164.5248 2200.151       
294.1497 1899.399       198.4739 101.7282 6.887283 94.80523 4.986457 6.923012 
8.502907 
1 1 1 -16 10  2  o 147.6509 4.963315  4623.419       262.2628 4663.315       
536.7023 4610.904       300.5958 147.5618 8.663247 147.7400 4.846250 
-0.1782684     9.926630 
1 1 1 -16 10  3  o 52.86758 4.606015  577.4988       100.6437 687.7617       
160.5420 506.1087       129.1793 56.89395 6.721151 48.84122 6.299811 8.052727 
9.212030 
1 1 1 -16 10  4  o 102.4806 3.836017  2221.651       157.4472 2223.641       
265.9711 2220.578       195.3538 102.3945 6.186983 102.5666 4.536667 
-0.1721115     7.672034 
1 1 1 -16 10  5  f 155.2127 4.235648  5124.416       250.8340 5061.767       
462.5743 5150.509       298.5362 154.2232 7.144187 156.2022 4.552301 -1.978928 
8.471295 
1 1 1 -16 10  6  o 48.36343 5.278814  548.1188       89.15496 422.9290       
167.8625 597.3093       105.2228 43.54438 9.447473 53.18248 4.712617 -9.638100 
10.55763 
1 1 1 -16 10  7  o 21.15479 5.772778  64.81123       66.38712 54.00087       
130.2511 68.60512       77.16196 22.52562 9.039250 19.78395 7.182743 2.741671 
11.54556 
1 1 1 -16 10  8  o 192.3553 4.188277  7814.619       246.4566 7884.499       
620.5410 7801.533       268.5451 192.2252 7.689200 192.4853 3.323080 
-0.2601013     8.376554 
1 1 1 -16 10  9  o 91.54366 3.181915  1645.737       90.80118 1959.846       
232.6141 1589.271       98.62553 96.16730 5.761423 86.92001 2.702655 9.247292 
6.363830 
1 1 1 -16 10  10 o 169.7029 4.287019  5832.381       217.5163 6521.392       
577.2821 5718.374       234.8234 174.6415 7.873387 164.7642 3.394685 9.877304 
8.574038 
1 1 1 -16 10  11 o 40.49329 5.506442  343.4107       76.08467 383.9313       
166.4763 332.7122       85.54113 41.34255 9.740096 39.64403 5.139470 1.698521 
11.01288 
1 1 1 -16 10  12 o 60.52885 2.856320  779.7419       71.73711 726.4894       
107.8534 821.9932       96.06927 58.62980 4.381638 62.42789 3.665447 -3.798084 
5.712639 
1 1 1 -16 10  13 o 109.6018 2.388773  2538.066       104.9854 2515.775       
176.5086 2550.269       130.5980 109.1550 3.851618 110.0487 2.826655 
-0.8936768     4.777545 
1 1 1 -16 10  14 o 124.9812 2.642189  3274.321       129.5660 3369.468       
229.7423 3229.946       156.8975 126.1690 4.337198 123.7934 3.018835 2.375595 
5.284378 
1 1 1 -16 10  15 o 47.95000 3.333112  488.1638       64.76643 487.3331       
106.4320 488.6523       81.61758 47.84833 5.298175 48.05166 4.045725 
-0.2033310     6.666224 
1 1 1 -16 10  16 o 103.8818 2.619373  2274.740       112.1742 2323.506       
177.0181 2242.018       145.0049 104.7380 4.025636 103.0257 3.352417 1.712280 
5.238745 
1 1 1 -16 10  17 o 57.77556 2.766324  682.9555       65.92648 860.7521       
105.4798 568.9741       84.45480 63.72953 3.942299 51.82159 3.881814 11.90793 
5.532649 
1 1 1 -16 10  18 o 95.08005 2.617306  1911.019       102.2670 1939.082       
162.6559 1892.673       131.5125 95.56627 4.054023 94.59382 3.311506 0.9724503 
5.234613 
1 1 1 -16 10  19 o 89.93241 3.253751  1731.110       122.0495 1682.561       
181.8097 1770.938       164.6687 88.68719 4.882894 91.17764 4.301736 -2.490448 
6.507502 
1 1 1 -16 10  20 o 75.87592 3.211160  1226.982       101.9611 1096.813       
139.9183 1374.376       148.8888 71.56444 4.656915 80.18740 4.422594 -8.622963 
6.422320 
1 1 1 -16 10  21 o 41.25156 5.222973  383.1059       87.20310 283.7744       
119.0958 497.9114       128.0367 34.85333 8.255608 47.64978 6.400215 -12.79646 
10.44595 
1 1 1 -16 10  22 o 80.83850 3.175993  1396.825       107.2695 1507.224       
161.6616 1309.982       143.3819 83.62051 4.604845 78.05648 4.375287 5.564034 
6.351986 
1 1 1 -16 10  23 o 77.19206 3.244172  1285.881       104.2942 1317.447       
158.5513 1261.806       138.4687 77.88975 4.848536 76.49438 4.311647 1.395363 
6.488343 
1 1 1 -16 10  24 o 49.36112 4.408467  542.8054       91.08598 572.4024       
135.2672 518.2511       123.2060 50.51675 6.377905 48.20549 6.087746 2.311260 
8.816934 
1 1 1 -16 10  25 o 22.85324 5.316789  66.43427       76.04907 -94.88553      
105.2533 242.6428       110.0032 14.28315 6.724085 31.42334 8.237697 -17.14018 
10.63358 
1 1 1 -16 10  26 o 62.84687 3.825268  916.5172       92.98836 778.1002       
158.7105 988.8696       114.7460 58.25943 6.488743 67.43430 4.053012 -9.174870 
7.650536 
1 1 1 -16 10  27 o 31.42341 5.932571  260.8098       79.52192 210.6675       
134.4065 287.8158       98.63879 28.35631 9.539531 34.49051 7.055419 -6.134201 
11.86514 
1 1 1 -16 10  28 o 18.28447 5.311455  18.12941       77.62047 -171.6276      
132.9849 116.1799       95.59351 14.39737 6.988880 22.17156 8.000111 -7.774199 
10.62291 
1 1 1 -16 10  29 o 23.29748 5.721706  120.7527       88.15415 -101.6714      
145.2925 250.3368       110.8992 16.26176 7.752576 30.33320 8.417200 -14.07144 
11.44341 
1 1 1 -16 10  30 o 54.66831 5.843500  717.7012       134.1182 0.000000       
0.000000 717.7012       134.1182 ?        ?        54.66831 5.843500 ? ? 
1 1 1 -16 11  1  o 152.6382 5.365355  4978.164       316.7835 4946.016       
570.8276 4992.470       380.8041 151.8062 8.956464 153.4702 5.910151 -1.664001 
10.73071 
1 1 1 -16 11  2  f 196.0364 6.184866  8223.960       433.5441 8265.684       
886.1058 8210.829       497.1078 195.2870 10.80770 196.7858 6.016972 -1.498734 
12.36973 
1 1 1 -16 11  3  o 49.29982 5.378803  526.9518       103.1262 522.4861       
174.2556 529.3589       127.9358 48.64029 8.861252 49.95935 6.099532 -1.319057 
10.75761 
1 1 1 -16 11  4  o 81.35158 3.883362  1354.355       123.3847 1527.693       
225.1634 1279.967       147.5025 84.83749 6.321659 77.86568 4.512054 6.971809 
7.766725 
1 1 1 -16 11  5  o 104.1446 3.887688  2171.542       152.1202 2578.551       
300.1524 2030.865       176.4617 110.1823 6.488602 98.10700 4.284218 12.07527 
7.775377 
1 1 1 -16 11  6  o 107.6976 3.707035  2368.455       143.3421 2620.571       
298.8157 2293.099       163.3655 111.0844 6.407244 104.3108 3.730371 6.773613 
7.414071 
1 1 1 -16 11  7  o 138.6445 4.411547  4096.525       200.6244 4054.629       
460.2891 4106.352       222.9131 137.7186 7.960845 139.5704 3.804200 -1.851791 
8.823094 
1 1 1 -16 11  8  o 235.5043 6.416805  11906.22       445.7414 11956.21       
1166.427 11897.67       482.3501 233.7684 11.88482 237.2402 4.842784 -3.471832 
12.83361 
1 1 1 -16 11  9  o 178.1271 4.768673  6509.301       233.4026 7088.992       
679.4475 6431.742       248.5264 181.5264 8.915327 174.7279 3.387906 6.798447 
9.537346 
1 1 1 -16 11  10 o 120.6197 3.345001  3073.319       128.9018 3082.607       
307.2224 3071.335       142.0058 120.4386 6.075865 120.8007 2.799996 
-0.3620987     6.690001 
1 1 1 -16 11  11 o 42.39413 4.524611  341.1505       70.02936 471.4943       
148.6394 303.9640       79.39291 46.90747 7.547670 37.88079 4.992106 9.026676 
9.049223 
1 1 1 -16 11  12 o 27.69630 5.283998  181.0098       67.46421 71.60995       
111.3228 244.5096       84.81296 22.05097 8.493036 33.34163 6.288950 -11.29066 
10.56800 
1 1 1 -16 11  13 o 115.6544 2.801739  2802.141       128.5714 2904.523       
223.3864 2751.425       157.2233 117.0940 4.544050 114.2148 3.278807 2.879265 
5.603478 
1 1 1 -16 11  14 o 89.66249 2.667374  1675.230       95.81808 1779.714       
164.0518 1621.131       118.0459 91.66780 4.262703 87.65718 3.207632 4.010620 
5.334749 
1 1 1 -16 11  15 o 100.9658 2.255229  2166.733       94.46148 2043.064       
142.7114 2263.162       126.0180 98.33530 3.456768 103.5962 2.897410 -5.260910 
4.510457 
1 1 1 -16 11  16 o 19.08583 4.839199  -21.04639      62.88151 163.3464       
98.06349 -149.8097      81.94670 27.13968 8.042041 11.03199 5.384884 16.10769 
9.678398 
1 1 1 -16 11  17 o 51.72776 3.452586  571.0054       74.89115 560.8525       
107.9874 580.4136       103.9520 51.26180 5.017651 52.19372 4.743900 
-0.9319191     6.905172 
1 1 1 -16 11  18 o 52.21673 3.919152  584.9262       85.55302 592.4897       
127.2946 578.6953       115.5385 52.47309 5.778223 51.96036 5.296336 0.5127335 
7.838305 
1 1 1 -16 11  19 o 80.96864 3.222531  1402.917       109.1862 1374.220       
160.0529 1427.896       149.3294 80.12882 4.757687 81.80847 4.347786 -1.679649 
6.445062 
1 1 1 -16 11  20 o 80.70392 3.336389  1417.245       111.2369 1250.097       
166.2340 1552.777       149.6891 76.14525 5.199939 85.26259 4.181698 -9.117340 
6.672778 
1 1 1 -16 11  21 o 45.17925 5.280853  458.1173       96.47913 574.6096       
143.1208 361.0879       130.6188 51.00713 6.683331 39.35138 8.178185 11.65575 
10.56171 
1 1 1 -16 11  22 o 114.6279 3.672947  2866.887       175.5599 2769.860       
261.1376 2946.908       237.1505 112.5903 5.524455 116.6656 4.841750 -4.075279 
7.345893 
1 1 1 -16 11  23 o 65.06499 3.415875  921.5109       93.21307 885.9790       
132.8802 955.9341       130.7910 63.76602 4.963545 66.36396 4.694255 -2.597939 
6.831750 
1 1 1 -16 11  24 o 39.64979 5.464411  374.3958       87.28402 367.3517       
130.1788 380.1489       117.6468 39.01830 8.206077 40.28128 7.217997 -1.262978 
10.92882 
1 1 1 -16 11  25 o 23.41594 6.240686  105.7765       85.27885 170.9661       
128.0948 53.88282       114.2878 26.65188 9.295487 20.18001 8.329380 6.471869 
12.48137 
1 1 1 -16 11  26 o 19.20918 5.563590  42.77605       75.59885 -34.22184      
116.5963 98.62425       99.30021 16.80057 7.627016 21.61780 8.102022 -4.817230 
11.12718 
1 1 1 -16 11  27 o 18.88812 5.594179  26.18691       67.53248 109.9759       
129.4622 -5.135737      79.15508 22.94479 9.079710 14.83145 6.537447 8.113342 
11.18836 
1 1 1 -16 11  28 o 31.98710 5.341424  276.3120       74.23076 164.4640       
119.2720 347.0249       94.83608 25.22151 8.952441 38.75270 5.828982 -13.53119 
10.68285 
1 1 1 -16 11  29 o 23.70074 5.971560  146.9538       74.32981 171.3186       
114.9460 129.4435       97.44507 24.94663 8.795256 22.45485 8.079702 2.491779 
11.94312 
1 1 1 -16 11  30 o 23.65501 6.121977  157.4612       79.42038 160.2293       
111.7005 154.6311       112.9445 23.82109 8.642672 23.48893 8.672869 0.3321590 
12.24395 
1 1 1 -16 12  1  o 88.86453 3.926165  1693.266       144.2152 1538.388       
217.8886 1814.010       192.3861 85.11907 6.097177 92.60999 4.948083 -7.490921 
7.852330 
1 1 1 -16 12  2  o 120.2593 4.385885  2961.094       198.4772 3323.200       
385.9069 2830.861       231.4328 124.7915 7.365776 115.7271 4.763330 9.064392 
8.771770 
1 1 1 -16 12  3  o 243.2948 7.276639  12920.23       653.4351 12610.86       
1262.038 13033.54       763.7828 239.4385 12.55451 247.1511 7.360858 -7.712570 
14.55328 
1 1 1 -16 12  4  o 27.88531 6.739810  125.5867       92.76156 248.8238       
162.9050 66.45541       112.8423 33.81458 10.43641 21.95605 8.531212 11.85852 
13.47962 
1 1 1 -16 12  5  o 17.42545 5.393473  -72.53542      77.04178 52.77522       
125.2780 -148.7483      97.70015 22.11002 8.868110 12.74088 6.141241 9.369136 
10.78695 
1 1 1 -16 12  6  o 120.9575 3.486026  3023.456       149.7079 3229.550       
314.6042 2963.126       170.2154 123.3230 6.076332 118.5920 3.418727 4.731018 
6.972052 
1 1 1 -16 12  7  o 142.2183 4.360015  4190.639       195.9467 4464.860       
480.0178 4135.808       214.6445 144.3758 7.919249 140.0608 3.650263 4.315002 
8.720030 
1 1 1 -16 12  8  o 40.85471 5.718359  317.6396       84.83944 498.3146       
173.6055 260.9533       97.24197 47.33491 9.058859 34.37450 6.981086 12.96041 
11.43672 
1 1 1 -16 12  9  o 71.52569 3.840015  1080.827       95.24634 1093.504       
204.0427 1077.295       107.7003 71.57996 6.789701 71.47142 3.589264 0.1085358 
7.680030 
1 1 1 -16 12  10 o 61.15038 3.795701  743.2285       82.31789 890.4526       
177.6871 702.9960       92.88704 64.59505 6.552059 57.70572 3.834046 6.889328 
7.591403 
1 1 1 -16 12  11 o 49.31186 4.391279  444.3101       72.78938 651.8796       
176.0963 401.5370       79.93804 55.06158 7.617678 43.56213 4.370846 11.49946 
8.782557 
1 1 1 -16 12  12 o 89.35752 2.605066  1661.521       91.24744 1756.218       
163.1081 1618.385       110.0855 91.08956 4.265088 87.62548 2.992408 3.464081 
5.210132 
1 1 1 -16 12  13 o 84.55765 2.536930  1476.968       85.80733 1619.909       
148.4173 1405.201       105.1649 87.48981 4.040623 81.62550 3.068782 5.864311 
5.073860 
1 1 1 -16 12  14 o 146.2326 2.446385  4396.584       136.4708 4809.821       
258.0868 4236.194       160.7884 150.6891 4.079482 141.7760 2.701302 8.913116 
4.892771 
1 1 1 -16 12  15 o 124.9271 2.950870  3294.184       146.7660 3359.406       
252.1810 3260.778       180.4800 125.6592 4.780122 124.1950 3.461353 1.464211 
5.901740 
1 1 1 -16 12  16 o 48.54154 3.407746  508.6579       68.02034 464.8646       
104.7117 540.6283       89.46757 46.62643 5.349143 50.45666 4.223458 -3.830235 
6.815492 
1 1 1 -16 12  17 o 40.24133 5.546917  367.0439       91.03853 309.8015       
134.3075 415.7004       123.8261 36.69815 8.814604 43.78451 6.736165 -7.086361 
11.09383 
1 1 1 -16 12  18 o 92.53376 3.197098  1817.924       123.7118 1934.213       
185.1989 1724.224       166.2421 95.15234 4.635963 89.91518 4.403815 5.237152 
6.394196 
1 1 1 -16 12  19 o 81.34779 3.516429  1429.982       119.2318 1329.647       
175.3575 1516.251       162.6024 78.54486 5.317748 84.15072 4.602461 -5.605858 
7.032858 
1 1 1 -16 12  20 o 97.60570 3.188923  2033.250       130.0695 2153.931       
195.5025 1937.410       174.2232 100.1231 4.650925 95.08833 4.364151 5.034721 
6.377845 
1 1 1 -16 12  21 o 103.1393 3.633174  2322.163       156.1416 2075.882       
225.7346 2548.096       216.2084 97.61452 5.508136 108.6641 4.739225 -11.04962 
7.266349 
1 1 1 -16 12  22 o 37.84264 5.571023  331.0022       88.18300 197.3965       
119.5830 490.2559       130.5576 28.81043 8.951742 46.87484 6.634119 -18.06441 
11.14205 
1 1 1 -16 12  23 o 41.25941 5.377762  395.0038       89.26323 587.7380       
133.0817 237.3808       120.3507 51.34531 6.173602 31.17352 8.807267 20.17178 
10.75552 
1 1 1 -16 12  24 o 24.82322 6.087802  128.2772       80.24548 212.4382       
121.9373 63.98530       106.5760 29.30209 9.026340 20.34434 8.171323 8.957754 
12.17560 
1 1 1 -16 12  25 o 22.97792 6.262595  106.9355       86.10682 80.85082       
128.4439 128.2271       116.0447 22.00371 8.915474 23.95214 8.797427 -1.948431 
12.52519 
1 1 1 -16 12  26 o 108.8503 3.625031  2575.058       154.7157 2830.815       
277.4263 2459.609       186.3923 111.6180 5.920172 106.0827 4.185088 5.535347 
7.250062 
1 1 1 -16 12  27 f 19.14232 5.430596  37.55598       77.64117 -126.2218      
130.0080 128.3490       96.79856 15.18004 7.259794 23.10460 8.078421 -7.924556 
10.86119 
1 1 1 -16 12  28 o 16.83687 5.394489  -15.83716      78.28536 -3.195646      
132.8886 -22.55612      96.88107 18.30449 8.236977 15.36924 6.968088 2.935248 
10.78898 
1 1 1 -16 12  29 o 17.79827 5.564278  21.90795       81.15582 34.23568       
123.4946 12.53727       107.6693 18.59362 8.182485 17.00293 7.542658 1.590691 
11.12856 
1 1 1 -16 12  30 o 30.63025 6.146800  271.5917       83.77486 224.1374       
116.7292 321.9960       120.3027 27.54772 8.884617 33.71278 8.496834 -6.165068 
12.29360 
1 1 1 -16 13  1  o 99.26180 3.713441  2050.141       148.6844 2230.078       
251.8941 1953.926       184.1956 102.4178 5.858190 96.10574 4.565107 6.312096 
7.426883 
1 1 1 -16 13  2  o 117.3088 4.778016  2888.476       212.6539 3050.975       
402.0927 2825.375       250.5630 119.1634 8.037193 115.4541 5.169263 3.709259 
9.556032 
1 1 1 -16 13  3  o 67.76485 3.918707  908.2777       105.5580 1186.151       
190.0223 784.2611       126.9467 74.67695 6.060929 60.85275 4.968923 13.82420 
7.837413 
1 1 1 -16 13  4  o 58.53529 3.710224  710.9125       88.67941 791.6964       
146.3370 664.0294       111.4807 61.05418 5.708997 56.01640 4.740296 5.037785 
7.420448 
1 1 1 -16 13  5  o 126.4595 4.179810  3332.569       195.4511 3543.411       
385.8958 3259.820       226.6762 128.7311 7.140155 124.1880 4.347578 4.543091 
8.359620 
1 1 1 -16 13  6  o 108.6666 3.945111  2349.239       123.7054 2733.667       
345.7354 2292.798       132.4757 113.0011 7.287563 104.3320 3.024403 8.669037 
7.890221 
1 1 1 -16 13  7  o 58.80827 4.105169  652.6501       89.88694 923.2505       
185.4579 569.5660       102.7639 65.74939 6.718537 51.86716 4.719208 13.88223 
8.210339 
1 1 1 -16 13  8  o 229.4604 5.146869  10957.17       355.9771 11774.22       
924.0307 10814.77       385.7513 232.6905 9.458643 226.2304 4.061418 6.460114 
10.29374 
1 1 1 -16 13  9  o 107.5381 3.948393  2383.187       114.8595 2561.875       
339.4765 2360.087       122.0581 109.2124 7.403872 105.8637 2.746253 3.348671 
7.896785 
1 1 1 -16 13  10 o 73.35869 3.433595  1099.439       92.22849 1229.150       
187.0703 1057.787       106.0072 75.93371 5.868016 70.78367 3.567168 5.150040 
6.867190 
1 1 1 -16 13  11 o 45.17233 4.993987  514.2248       73.62597 328.6342       
145.6031 577.9814       85.34052 38.06236 9.200184 52.28231 3.887959 -14.21994 
9.987973 
1 1 1 -16 13  12 o 31.15148 5.442803  211.7588       69.35854 249.5231       
112.8557 188.8376       87.92283 33.26486 8.136894 29.03810 7.231000 4.226763 
10.88561 
1 1 1 -16 13  13 o 20.21372 4.935842  70.23388       58.25643 -28.64477      
93.11585 133.8290       74.67654 15.84956 7.024800 24.57788 6.935584 -8.728319 
9.871684 
1 1 1 -16 13  14 o 164.6393 3.323797  5773.537       209.6411 5744.307       
384.4533 5785.905       250.0958 163.8989 5.587127 165.3796 3.602015 -1.480698 
6.647593 
1 1 1 -16 13  15 o 44.02742 4.535591  433.2072       78.82742 376.5291       
123.4868 472.1861       102.4067 41.03772 7.441226 47.01713 5.187920 -5.979412 
9.071182 
1 1 1 -16 13  16 o 33.18598 6.085689  256.8043       90.33797 355.1203       
123.4992 143.6552       132.4883 39.69635 7.684558 26.67562 9.438751 13.02073 
12.17138 
1 1 1 -16 13  17 o 88.49101 3.010334  1669.786       111.6981 1597.756       
159.4163 1739.251       156.5526 86.57504 4.385923 90.40699 4.124576 -3.831947 
6.020668 
1 1 1 -16 13  18 o 52.84686 4.350313  603.8411       95.78732 712.9023       
140.2183 508.4126       131.1622 57.39491 5.819054 48.29881 6.468347 9.096104 
8.700626 
1 1 1 -16 13  19 o 97.04276 2.985940  2013.646       120.6727 2012.776       
182.4764 2014.322       160.8719 96.91090 4.484924 97.17461 3.943198 
-0.2637100     5.971880 
1 1 1 -16 13  20 o 58.17183 3.925047  742.5392       94.96459 813.3873       
130.4659 662.7040       138.4938 61.31929 5.067816 55.02436 5.995098 6.294933 
7.850093 
1 1 1 -16 13  21 o 53.55405 4.295033  632.6502       96.25894 573.5305       
135.4627 692.9506       136.8087 50.91143 6.337608 56.19666 5.798616 -5.285229 
8.590066 
1 1 1 -16 13  22 o 82.60091 3.698396  1494.147       128.0311 1449.558       
184.7059 1535.385       177.6281 81.29604 5.411685 83.90578 5.042440 -2.609741 
7.396792 
1 1 1 -16 13  23 o 51.30988 4.167906  567.7797       88.21424 688.8853       
141.8461 491.4003       112.6481 55.53897 6.083320 47.08080 5.699032 8.458176 
8.335812 
1 1 1 -16 13  24 o 22.64848 6.134248  101.2548       80.55670 112.6346       
126.9636 93.58665       104.2220 23.56634 9.071443 21.73061 8.259837 1.835733 
12.26850 
1 1 1 -16 13  25 o 24.76612 6.157201  145.5323       79.67427 160.3922       
106.2402 126.4330       120.4448 25.65428 8.481277 23.87795 8.928182 1.776327 
12.31440 
1 1 1 -16 13  26 o 23.93076 6.060201  136.0286       81.21065 61.50754       
131.8366 181.5963       103.0919 21.02323 8.826823 26.83830 8.306101 -5.815071 
12.12040 
1 1 1 -16 13  27 o 31.52514 6.180365  248.5156       81.69189 320.8326       
139.0651 210.4113       100.9451 34.42134 9.372450 28.62893 8.058835 5.792412 
12.36073 
1 1 1 -16 13  28 o 22.05476 5.979132  114.0728       81.43090 32.43458       
139.3951 156.3651       100.3302 19.64164 8.664264 24.46787 8.242002 -4.826235 
11.95826 
1 1 1 -16 13  29 o 29.30095 6.447669  261.2597       95.26972 341.9423       
126.6234 156.0013       144.6281 34.81268 8.683008 23.78922 9.533892 11.02347 
12.89534 
1 1 1 -16 14  1  o 59.20415 4.522722  632.9744       102.8822 1199.686       
191.8332 404.1568       121.8954 74.96826 6.094912 43.44005 6.683719 31.52821 
9.045444 
1 1 1 -16 14  2  o 56.30087 4.689240  682.2824       107.6025 661.1481       
172.8261 695.6608       137.5048 55.44857 7.424036 57.15316 5.730582 -1.704590 
9.378479 
1 1 1 -16 14  3  o 157.4727 4.678536  5433.249       272.6043 5024.268       
518.1194 5589.803       320.5612 152.5443 8.090119 162.4011 4.701573 -9.856781 
9.357073 
1 1 1 -16 14  4  o 154.3647 4.362340  5128.176       263.9797 4959.793       
460.9189 5210.368       322.0256 151.9969 7.222888 156.7326 4.893868 -4.735657 
8.724681 
1 1 1 -16 14  5  o 37.41330 6.287454  311.5116       91.28215 319.5356       
167.0722 308.0970       108.9874 37.53260 10.29673 37.29400 7.218426 0.2386055 
12.57491 
1 1 1 -16 14  6  o 94.10477 3.267964  1627.205       103.8739 2322.273       
248.6125 1480.206       114.3315 104.4342 5.670239 83.77538 3.250653 20.65880 
6.535928 
1 1 1 -16 14  7  f 148.8625 4.559236  4593.093       224.9674 4986.188       
519.9929 4502.573       249.5288 151.8229 8.157950 145.9020 4.073621 5.920975 
9.118472 
1 1 1 -16 14  8  f 130.6220 3.929904  3515.292       156.5882 3811.289       
402.1913 3462.407       170.0022 133.1179 7.196430 128.1260 3.160373 4.991943 
7.859807 
1 1 1 -16 14  9  o 64.55769 3.838741  812.5909       89.90125 1041.832       
190.1643 746.6093       102.0221 69.72340 6.496381 59.39197 4.091548 10.33142 
7.677483 
1 1 1 -16 14  10 o 140.2336 4.293186  4218.499       179.4108 4189.702       
463.2044 4223.582       194.6007 139.0161 7.936493 141.4511 3.276870 -2.434952 
8.586372 
1 1 1 -16 14  11 o 128.5920 2.706840  3309.562       114.8429 3813.157       
271.4575 3199.780       126.7440 133.9240 4.827970 123.2600 2.449211 10.66405 
5.413680 
1 1 1 -16 14  12 o 87.29175 2.583280  1585.675       87.13751 1679.129       
159.9396 1546.227       103.9137 88.96582 4.282071 85.61768 2.890883 3.348137 
5.166560 
1 1 1 -16 14  13 o 72.90996 2.719006  1148.047       80.34744 1033.867       
128.1318 1222.039       103.1466 69.76661 4.374519 76.05331 3.230411 -6.286697 
5.438011 
1 1 1 -16 14  14 o 17.24712 5.366261  -36.23980      73.57047 24.20444       
121.0499 -71.64510      92.64480 20.26298 8.480354 14.23127 6.578041 6.031714 
10.73252 
1 1 1 -16 14  15 o 70.83432 3.694967  1076.813       108.2799 852.5697       
150.0342 1320.575       156.4276 62.99433 5.672962 78.67432 4.735888 -15.67999 
7.389935 
1 1 1 -16 14  16 o 44.51294 5.229068  443.1796       93.04253 317.8028       
128.4305 581.6650       134.9776 37.18486 8.420916 51.84101 6.201678 -14.65615 
10.45814 
1 1 1 -16 14  17 o 92.48386 3.361619  1839.789       129.9501 1700.122       
187.5151 1968.848       180.2542 88.98635 5.019194 95.98137 4.473212 -6.995018 
6.723238 
1 1 1 -16 14  18 o 61.42076 3.955077  822.6357       101.1164 713.0851       
144.5108 927.7225       141.5361 57.23895 6.013535 65.60258 5.138866 -8.363640 
7.910154 
1 1 1 -16 14  19 o 37.84274 5.583454  336.5667       87.35429 427.9493       
120.7946 236.3849       126.4765 44.08205 6.526895 31.60342 9.060875 12.47864 
11.16691 
1 1 1 -16 14  20 o 88.56718 3.598654  1692.028       133.1583 1798.991       
200.4933 1607.609       178.1153 90.96491 5.249850 86.16946 4.923444 4.795456 
7.197307 
1 1 1 -16 14  21 o 44.90066 5.279068  462.4127       96.07328 556.8923       
139.4220 376.9878       132.5729 49.91668 6.652834 39.88463 8.198415 10.03205 
10.55814 
1 1 1 -16 14  22 o 21.77465 6.103456  78.26054       82.86137 90.32200       
120.7884 67.53864       113.8836 22.49690 8.808950 21.05240 8.450510 1.444502 
12.20691 
1 1 1 -16 14  23 o 53.02678 4.314809  623.7115       95.25018 747.3302       
142.3417 523.4716       128.1772 57.86575 5.859111 48.18780 6.335702 9.677956 
8.629618 
1 1 1 -16 14  24 o 101.0742 3.146545  2210.552       131.3357 2350.371       
207.6140 2117.270       169.5787 103.4060 4.782244 98.74241 4.090615 4.663620 
6.293090 
1 1 1 -16 14  25 o 26.84130 6.299477  175.1664       89.63683 78.39073       
130.7775 260.9151       123.1016 21.81377 8.941145 31.86883 8.876348 -10.05506 
12.59895 
1 1 1 -16 14  26 o 27.07297 6.157665  184.1857       76.61299 199.5238       
132.4952 176.4814       93.90318 27.62484 9.471103 26.52110 7.871822 1.103737 
12.31533 
1 1 1 -16 14  27 o 17.66743 5.587939  -4.925695      82.28788 24.27064       
133.5008 -22.81492      104.4998 19.35150 8.511806 15.98336 7.242197 3.368141 
11.17588 
1 1 1 -16 14  28 o 16.40573 5.161351  1.483362       72.42191 -68.75768      
124.7970 37.14963       88.92779 15.72878 7.383063 17.08268 7.214469 -1.353899 
10.32270 
1 1 1 -16 14  29 o 78.93385 3.298114  1348.086       103.7405 1693.066       
184.4589 1188.489       125.4628 85.16404 5.158988 72.70366 4.110360 12.46038 
6.596227 
1 1 1 -16 15  1  o 98.59550 4.144050  2091.214       162.8854 2037.288       
275.6053 2120.162       201.9247 97.31953 6.745413 99.87149 4.815806 -2.551964 
8.288099 
1 1 1 -16 15  2  o 59.85586 4.345374  716.6711       105.1394 971.6797       
181.1350 587.0980       129.1167 67.30450 6.410315 52.40722 5.868300 14.89729 
8.690747 
1 1 1 -16 15  3  o 162.7534 4.966583  5684.207       279.6982 5738.084       
598.6918 5669.165       316.3431 162.0777 8.798346 163.4291 4.610522 -1.351364 
9.933167 
1 1 1 -16 15  4  o 98.01925 3.641821  1991.164       137.4213 2179.752       
255.6578 1914.535       162.9662 100.9493 6.032215 95.08920 4.082135 5.860092 
7.283642 
1 1 1 -16 15  5  o 98.34413 3.499701  1979.802       125.1023 2211.292       
256.4303 1907.496       143.3145 101.6827 6.006803 95.00557 3.593040 6.677124 
6.999402 
1 1 1 -16 15  6  o 131.7116 4.052683  3558.166       181.3139 3960.607       
408.3093 3459.317       202.3600 135.5296 7.175899 127.8937 3.768744 7.635880 
8.105366 
1 1 1 -16 15  7  o 104.4395 3.862327  2213.711       130.7911 2509.177       
314.4698 2151.911       143.8204 107.9426 6.939163 100.9363 3.393861 7.006271 
7.724654 
1 1 1 -16 15  8  o 157.8351 4.881925  5374.063       252.4441 5351.816       
578.7987 5379.289       280.5331 156.3597 8.817060 159.3106 4.194308 -2.950943 
9.763850 
1 1 1 -16 15  9  o 60.32797 3.850088  760.5850       84.70541 810.0637       
170.7604 744.4365       97.55373 61.36209 6.628391 59.29385 3.918820 2.068241 
7.700176 
1 1 1 -16 15  10 o 87.38533 3.863156  1456.337       104.2253 1904.711       
275.1299 1381.212       112.6189 93.91679 6.977755 80.85386 3.317657 13.06293 
7.726313 
1 1 1 -16 15  11 o 123.6654 2.588499  3286.002       126.4376 3087.742       
216.0925 3389.211       155.9120 120.6030 4.267786 126.7278 2.930411 -6.124825 
5.176998 
1 1 1 -16 15  12 o 35.16946 5.366769  254.7154       72.36967 355.6981       
132.6541 211.9245       86.35203 39.61607 8.248014 30.72286 6.868703 8.893209 
10.73354 
1 1 1 -16 15  13 o 59.01279 3.505007  742.8325       84.37410 746.9928       
136.5862 740.2653       107.2935 59.02824 5.511476 58.99735 4.331736 
0.3088760E-01  7.010015 
1 1 1 -16 15  14 o 74.40725 3.141630  1180.749       98.02363 1122.061       
139.2181 1238.450       138.0421 72.53963 4.571318 76.27486 4.310732 -3.735229 
6.283260 
1 1 1 -16 15  15 o 76.09976 3.661908  1245.197       116.6873 1150.218       
165.7483 1338.527       164.3026 73.14541 5.397383 79.05412 4.950409 -5.908707 
7.323817 
1 1 1 -16 15  16 o 82.14816 3.289502  1443.503       113.1696 1462.266       
166.4357 1427.368       154.3399 82.59255 4.799838 81.70377 4.499427 0.8887787 
6.579003 
1 1 1 -16 15  17 o 65.03800 3.466230  913.5661       93.86387 778.0349       
132.2351 1051.202       133.2579 60.04195 5.245815 70.03405 4.532156 -9.992100 
6.932461 
1 1 1 -16 15  18 o 100.9877 3.410826  2192.576       144.3421 2279.383       
212.0763 2117.660       197.0158 102.7960 4.914021 99.17931 4.731525 3.616714 
6.821651 
1 1 1 -16 15  19 o 46.21603 5.189411  498.4506       94.55249 359.2740       
136.5290 626.7255       131.0727 38.93892 8.582418 53.49315 5.836267 -14.55423 
10.37882 
1 1 1 -16 15  20 f 76.07159 3.654674  1252.776       116.3396 1375.796       
172.9702 1151.147       157.2142 79.45053 5.185557 72.69264 5.151366 6.757889 
7.309349 
1 1 1 -16 15  21 o 37.61834 6.186252  343.9533       95.94627 336.6498       
135.2019 351.3630       136.1805 37.18291 8.788935 38.05376 8.708241 
-0.8708458     12.37250 
1 1 1 -16 15  22 o 62.55679 4.168173  871.6736       109.4211 836.5262       
153.3669 908.1133       156.1604 61.22860 5.966209 63.88496 5.822285 -2.656361 
8.336346 
1 1 1 -16 15  23 o 71.39020 3.355212  1116.277       100.0471 973.7793       
138.8457 1270.164       144.2872 66.50625 4.972685 76.27415 4.505795 -9.767899 
6.710423 
1 1 1 -16 15  24 o 52.52569 4.453307  621.8272       97.60229 716.6940       
147.4300 547.8088       130.2263 56.07245 6.262641 48.97892 6.333015 7.093525 
8.906613 
1 1 1 -16 15  25 o 23.43365 6.210266  100.0685       89.43932 212.8849       
131.2608 2.293561       122.1976 28.56853 9.427237 18.29878 8.086829 10.26975 
12.42053 
1 1 1 -16 15  26 o 39.81105 5.572142  367.7238       90.79438 616.9974       
147.2446 214.7981       115.3298 51.02503 6.873489 28.59707 8.772127 22.42797 
11.14428 
1 1 1 -16 15  27 o 26.97377 6.345638  179.6161       83.75329 283.4157       
137.6014 118.5304       105.5590 31.67071 9.555259 22.27683 8.352574 9.393879 
12.69128 
1 1 1 -16 15  28 o 27.88760 6.500624  211.0017       85.08707 299.6272       
145.4959 164.9381       104.8940 31.27118 9.902509 24.50402 8.424534 6.767160 
13.00125 
1 1 1 -16 15  29 o 19.65260 5.774813  74.23959       82.93552 -4.715148      
133.0969 124.3549       106.0387 17.54188 8.016734 21.76331 8.314195 -4.221422 
11.54963 
1 1 1 -16 16  1  o 49.35597 5.079024  483.9345       100.5461 700.9641       
176.6819 379.9848       122.2769 56.80412 7.408553 41.90782 6.949769 14.89630 
10.15805 
1 1 1 -16 16  2  o 120.7933 3.433299  3056.643       160.4687 3240.678       
293.6907 2978.318       191.5969 123.0181 5.686465 118.5685 3.848934 4.449631 
6.866599 
1 1 1 -16 16  3  o 98.61883 4.139402  2072.464       151.8675 2110.310       
293.5237 2058.629       177.4678 98.76182 7.079053 98.47584 4.292506 0.2859802 
8.278804 
1 1 1 -16 16  4  o 100.0865 3.806547  2085.963       141.9203 2258.288       
277.9686 2025.204       165.0542 102.4296 6.463850 97.74340 4.022167 4.686195 
7.613093 
1 1 1 -16 16  5  o 56.78398 4.102581  659.3466       86.76687 759.9805       
172.3219 625.1677       100.4263 59.31437 6.919929 54.25360 4.408997 5.060768 
8.205161 
1 1 1 -16 16  6  o 109.8435 3.903726  2577.731       153.0469 2583.573       
313.5734 2575.905       175.3511 109.3940 6.827580 110.2930 3.786881 
-0.8990173     7.807453 
1 1 1 -16 16  7  o 51.73380 4.523640  546.1574       86.54884 640.9570       
174.3721 515.1683       99.69627 54.28202 7.651421 49.18558 4.827943 5.096443 
9.047280 
1 1 1 -16 16  8  o 83.82477 3.552178  1347.583       106.0815 1796.496       
232.2160 1229.195       119.2519 91.46090 6.047526 76.18864 3.728175 15.27226 
7.104355 
1 1 1 -16 16  9  o 37.69271 5.851075  262.4575       78.75489 464.2046       
169.9686 207.3025       88.87052 45.03640 9.306065 30.34902 7.094890 14.68738 
11.70215 
1 1 1 -16 16  10 o 98.99185 2.907970  2157.208       110.2668 1884.865       
195.1237 2284.989       133.6545 93.98166 4.945247 104.0020 3.060997 -10.02038 
5.815941 
1 1 1 -16 16  11 o 31.74469 5.639199  229.8724       70.80696 218.9084       
129.8231 234.5149       84.47818 31.06383 9.263001 32.42554 6.434211 -1.361710 
11.27840 
1 1 1 -16 16  12 o 111.1037 4.303141  2681.351       193.1115 2594.481       
316.6385 2732.799       243.6757 109.2276 6.904822 112.9799 5.137267 -3.752281 
8.606281 
1 1 1 -16 16  13 o 110.1223 3.376291  2595.397       155.9174 2487.867       
222.3781 2699.371       218.6698 107.8179 4.912723 112.4267 4.632766 -4.608810 
6.752582 
1 1 1 -16 16  14 o 100.3333 2.973319  2132.275       124.4867 2029.155       
165.6217 2266.187       188.7357 97.62128 4.041046 103.0452 4.362619 -5.423943 
5.946638 
1 1 1 -16 16  15 o 35.16763 5.620792  285.1428       81.40501 335.7318       
116.3002 236.5498       113.9829 38.41045 7.478813 31.92481 8.392888 6.485632 
11.24158 
1 1 1 -16 16  16 o 55.84747 4.308927  680.7878       100.7396 618.7488       
141.5403 744.4792       143.4126 53.18052 6.339407 58.51443 5.837750 -5.333916 
8.617854 
1 1 1 -16 16  17 o 39.07562 5.730763  355.5737       92.31519 291.3244       
133.9291 413.7303       127.4207 34.97689 9.052638 43.17435 7.029675 -8.197464 
11.46153 
1 1 1 -16 16  18 o 24.00545 5.875134  111.1353       80.73800 1.277703       
121.0723 199.1121       108.3462 18.92422 8.214627 29.08669 8.401709 -10.16247 
11.75027 
1 1 1 -16 16  19 o 34.71775 6.251260  288.0396       92.07816 354.4373       
135.1673 230.5482       125.7757 38.50093 8.583755 30.93458 9.090223 7.566347 
12.50252 
1 1 1 -16 16  20 o 93.39941 3.074679  1888.366       120.3281 1824.648       
173.7226 1947.125       166.8260 91.78181 4.508383 95.01701 4.181996 -3.235207 
6.149358 
1 1 1 -16 16  21 o 34.16457 5.323620  277.8718       78.61433 149.3580       
109.7726 413.1816       112.6377 25.39032 8.621122 42.93883 6.248196 -17.54850 
10.64724 
1 1 1 -16 16  22 o 55.56706 3.902146  685.5201       91.00150 662.7836       
126.9696 709.5364       130.4938 54.60938 5.538008 56.52474 5.498857 -1.915356 
7.804292 
1 1 1 -16 16  23 f 56.19440 3.745018  699.6048       88.18238 747.9652       
129.6597 657.9847       120.2848 57.97619 5.326921 54.41262 5.265409 3.563576 
7.490035 
1 1 1 -16 16  24 o 22.31271 5.937117  98.11636       82.79453 -4.712230      
130.0212 168.2500       107.3792 18.59588 8.264027 26.02953 8.526623 -7.433647 
11.87423 
1 1 1 -16 16  25 o 44.79446 4.988548  475.0619       93.66124 486.4743       
136.9591 465.0357       128.3715 45.17700 7.220956 44.41192 6.884782 0.7650795 
9.977096 
1 1 1 -16 16  26 o 41.63573 5.618152  456.6324       92.89645 324.2627       
141.5770 556.7103       123.1026 34.28811 9.509040 48.98336 5.986042 -14.69525 
11.23630 
1 1 1 -16 16  27 o 66.15619 3.771989  994.1743       102.2186 1086.327       
166.0882 937.9865       129.6898 68.01746 5.816201 64.29492 4.804521 3.722542 
7.543979 
1 1 1 -16 16  28 o 15.71146 5.099601  -40.70282      80.67874 -144.4061      
125.3483 32.64283       105.4167 13.91959 6.765817 17.50334 7.632001 -3.583754 
10.19920 
1 1 1 -16 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 17  2  o 24.01166 5.966107  91.20419       89.48876 -99.08711      
146.5657 204.3096       112.9964 18.05343 8.317628 29.96989 8.555396 -11.91647 
11.93221 
1 1 1 -16 17  3  o 31.72252 6.560385  225.8067       89.10267 237.6508       
155.4088 220.0066       108.7526 32.38736 10.23208 31.05767 8.213351 1.329689 
13.12077 
1 1 1 -16 17  4  o 35.44920 6.191153  261.0061       84.95208 368.4425       
160.8714 219.4606       100.0380 39.81873 9.699259 31.07969 7.697134 8.739040 
12.38231 
1 1 1 -16 17  5  o 48.44774 4.579313  475.1703       88.02296 609.0374       
158.7474 415.7407       105.7721 52.90588 7.147000 43.98961 5.727199 8.916267 
9.158626 
1 1 1 -16 17  6  o 45.53302 5.094229  451.1100       87.88189 475.6497       
157.9467 440.1064       105.7654 45.77835 8.535875 45.28768 5.562688 0.4906769 
10.18846 
1 1 1 -16 17  7  o 49.94650 4.430131  497.6651       84.04564 638.0437       
164.8650 448.3736       97.69317 54.10475 7.257955 45.78824 5.081961 8.316509 
8.860262 
1 1 1 -16 17  8  o 58.28318 4.231067  724.7549       88.71175 746.2042       
180.6593 717.9396       101.8347 58.45892 7.360896 58.10744 4.174315 0.3514786 
8.462133 
1 1 1 -16 17  9  o 57.93658 3.673338  723.1806       82.35588 708.3356       
147.6481 729.8852       99.22569 57.27000 6.140754 58.60315 4.032963 -1.333145 
7.346676 
1 1 1 -16 17  10 o 40.28400 5.554740  374.2966       76.99036 342.9831       
161.3672 383.5255       87.60431 38.23164 9.956324 42.33635 4.928708 -4.104706 
11.10948 
1 1 1 -16 17  11 o 74.05461 4.266623  1177.149       127.0928 1218.350       
214.0224 1154.705       157.9595 74.74425 6.820284 73.36497 5.128354 1.379272 
8.533246 
1 1 1 -16 17  12 o 66.32678 4.194554  962.6638       112.0068 913.0707       
183.9066 991.9065       141.2197 64.64779 6.775866 68.00577 4.946187 -3.357979 
8.389108 
1 1 1 -16 17  13 o 82.15379 3.290799  1447.423       113.3398 1408.699       
163.2998 1483.416       157.4345 81.03991 4.799630 83.26768 4.503440 -2.227776 
6.581597 
1 1 1 -16 17  14 o 28.92643 5.817623  191.3857       81.32890 290.8259       
111.2732 77.34074       119.1647 35.55041 7.673606 22.30245 8.746125 13.24796 
11.63525 
1 1 1 -16 17  15 o 40.95687 5.610833  393.5479       93.60007 570.8649       
133.7874 223.5489       130.9977 51.05897 6.241146 30.85477 9.325978 20.20420 
11.22167 
1 1 1 -16 17  16 o 57.95455 4.148763  730.9738       100.7110 799.4283       
147.8541 671.7227       137.5566 60.49247 5.821745 55.41664 5.912380 5.075829 
8.297526 
1 1 1 -16 17  17 f 32.37316 5.952202  246.9947       81.08651 266.3551       
123.4532 232.3052       107.5350 33.38371 8.715309 31.36261 8.109145 2.021093 
11.90440 
1 1 1 -16 17  18 o 68.52410 3.795392  1019.762       108.1225 1073.454       
166.4794 980.5919       142.1932 69.91550 5.671633 67.13271 5.045054 2.782791 
7.590784 
1 1 1 -16 17  19 o 52.95435 4.653901  641.3580       100.4254 485.9438       
144.5136 786.5018       139.6569 46.13667 7.460768 59.77203 5.565260 -13.63537 
9.307802 
1 1 1 -16 17  20 o 21.72541 6.276245  63.80053       92.02052 23.31382       
132.2773 101.7686       128.0968 20.15741 8.665417 23.29342 9.081605 -3.136002 
12.55249 
1 1 1 -16 17  21 o 26.59058 6.674832  163.8402       95.26191 116.9040       
135.2001 210.1166       134.2464 24.11146 9.344481 29.06970 9.533847 -4.958242 
13.34966 
1 1 1 -16 17  22 o 27.05824 6.212521  179.9361       82.94697 129.4180       
120.9683 224.7662       113.9550 24.15269 8.964076 29.96378 8.603894 -5.811089 
12.42504 
1 1 1 -16 17  23 o 28.34464 6.413986  195.9496       90.70687 291.1294       
132.9432 113.0465       124.0734 33.50764 9.181714 23.18165 8.958404 10.32599 
12.82797 
1 1 1 -16 17  24 o 24.44604 5.934462  137.6330       80.40354 45.90358       
116.7897 220.2807       110.8576 19.60214 8.272608 29.28993 8.510894 -9.687790 
11.86892 
1 1 1 -16 17  25 o 65.18095 3.783652  947.1817       102.6544 1101.849       
157.9944 834.1862       135.0430 69.66214 5.402140 60.69977 5.299149 8.962372 
7.567304 
1 1 1 -16 17  26 o 30.89137 5.823103  267.6223       83.75927 143.9565       
129.2030 357.2697       110.0062 23.93289 9.167478 37.84984 7.182721 -13.91694 
11.64621 
1 1 1 -16 17  27 o 18.70957 5.532371  -71.98161      85.76536 202.5309       
136.3109 -251.8692      110.3443 26.22160 9.544086 11.19753 5.598118 15.02406 
11.06474 
1 1 1 -16 17  28 o 23.00881 6.695908  130.2847       105.2907 63.71022       
140.2130 216.3696       159.4404 19.95124 8.749656 26.06637 10.13826 -6.115133 
13.39182 
1 1 1 -16 18  1  o 31.14796 5.895412  230.0629       93.23598 24.08088       
145.1451 374.7673       121.6546 21.63093 9.180126 40.66498 7.399243 -19.03405 
11.79082 
1 1 1 -16 18  2  o 58.18923 4.494160  751.6789       105.1274 679.5269       
170.5246 795.9134       133.5189 55.55693 7.310882 60.82153 5.228853 -5.264606 
8.988319 
1 1 1 -16 18  3  o 22.69806 9.437390  45.36703       148.4021 45.36703       
148.4021 0.000000       0.000000 22.69806 9.437390 ?        ?        ? ? 
1 1 1 -16 18  4  o 44.42048 5.736331  409.3253       101.4305 675.7910       
168.7470 258.5924       126.9169 55.48013 7.244687 33.36082 8.895869 22.11930 
11.47266 
1 1 1 -16 18  5  o 45.42751 5.151222  448.8282       86.52867 484.7509       
162.9302 434.7162       102.1201 45.91518 8.766117 44.93982 5.412537 0.9753609 
10.30244 
1 1 1 -16 18  6  o 104.5085 3.388439  2243.618       130.7917 2541.910       
262.2169 2144.826       150.9040 108.4918 5.756848 100.5252 3.575582 7.966606 
6.776878 
1 1 1 -16 18  7  o 45.40740 4.755898  426.8253       81.86604 505.6604       
158.5773 398.1799       95.58920 47.78754 7.904009 43.02726 5.291589 4.760277 
9.511797 
1 1 1 -16 18  8  o 26.47895 6.337481  151.3418       78.22814 120.6611       
157.4949 161.3902       90.13281 26.28415 10.10640 26.67374 7.649535 
-0.3895893     12.67496 
1 1 1 -16 18  9  o 31.31248 5.279475  244.1653       91.45113 -100.3194      
157.7889 418.4140       112.2215 18.72063 8.626996 43.90432 6.088216 -25.18369 
10.55895 
1 1 1 -16 18  10 o 30.03583 6.606825  210.3773       98.97272 90.68728       
158.2793 287.2244       126.8261 24.97324 9.988132 35.09841 8.650884 -10.12517 
13.21365 
1 1 1 -16 18  11 o 92.67232 4.087693  1924.455       148.4513 1671.246       
250.5864 2061.372       184.2667 87.22005 6.843246 98.12459 4.472910 -10.90453 
8.175386 
1 1 1 -16 18  12 o 29.96640 6.566660  213.7560       92.15556 145.8488       
157.2354 249.2889       113.7387 27.24269 10.19811 32.69012 8.275421 -5.447433 
13.13332 
1 1 1 -16 18  13 o 26.48654 6.343760  154.1084       86.16582 194.8947       
115.6667 103.2504       129.1607 28.97408 8.764437 23.99900 9.173756 4.975084 
12.68752 
1 1 1 -16 18  14 o 61.40043 3.492142  805.9599       89.52903 732.8368       
119.3044 900.2195       135.4540 58.26685 4.877034 64.53400 4.999475 -6.267151 
6.984283 
1 1 1 -16 18  15 o 54.11198 4.021174  633.6216       90.67100 536.2217       
122.3070 752.4664       135.1020 49.46244 5.889749 58.76152 5.476332 -9.299076 
8.042348 
1 1 1 -16 18  16 o 27.12101 6.002793  169.8812       79.96571 97.88525       
117.3186 232.3551       109.2854 22.96716 8.753631 31.27487 8.216329 -8.307714 
12.00559 
1 1 1 -16 18  17 o 49.28720 4.286865  544.5035       87.38364 475.3278       
129.0110 603.1428       118.7802 46.09060 6.667077 52.48381 5.390635 -6.393211 
8.573730 
1 1 1 -16 18  18 o 23.96345 6.059976  120.6982       79.93087 66.00111       
116.4555 169.4171       109.9072 21.14023 8.520640 26.78667 8.619277 -5.646441 
12.11995 
1 1 1 -16 18  19 f 28.88601 5.706144  186.5008       84.55949 32.39215       
118.5018 346.3768       120.6988 19.66660 8.318032 38.10543 7.813493 -18.43884 
11.41229 
1 1 1 -16 18  20 o 25.35120 6.439822  127.5885       94.64244 237.5852       
136.2486 25.02651       131.5636 30.65905 9.561020 20.04335 8.629723 10.61570 
12.87964 
1 1 1 -16 18  21 f 54.43141 4.731305  684.1541       107.0793 601.2163       
154.3437 761.1178       148.6810 50.84041 7.231041 58.02242 6.103527 -7.182007 
9.462610 
1 1 1 -16 18  22 o 92.91426 3.796393  1919.766       147.1982 2022.623       
222.7277 1840.002       196.1378 94.87162 5.591894 90.95691 5.136256 3.914711 
7.592786 
1 1 1 -16 18  23 o 24.10150 6.439472  133.2175       89.84463 107.0276       
134.4321 154.3583       120.7804 23.05714 9.211858 25.14586 9.000492 -2.088724 
12.87894 
1 1 1 -16 18  24 o 70.40141 3.860570  1105.567       112.6548 1245.504       
177.1517 1010.553       145.9725 73.82516 5.715603 66.97765 5.191135 6.847511 
7.721140 
1 1 1 -16 18  25 o 26.59847 6.161154  184.5727       86.10423 270.3687       
118.8833 89.90727       124.8772 31.76430 8.673169 21.43264 8.753023 10.33166 
12.32231 
1 1 1 -16 18  26 o 34.48758 6.360418  336.2222       92.82676 322.3979       
142.0450 346.5269       122.6368 33.11114 9.638078 35.86402 8.302236 -2.752880 
12.72084 
1 1 1 -16 18  27 o 18.86296 5.831195  47.55672       87.67805 22.81425       
136.3501 65.00059       114.4868 18.54863 8.345384 19.17730 8.146529 
-0.6286774     11.66239 
1 1 1 -16 19  1  o 68.31465 4.340433  1045.397       118.8056 935.0809       
193.2716 1112.399       150.6242 64.86925 7.096597 71.76005 4.999575 -6.890800 
8.680866 
1 1 1 -16 19  2  o 55.75668 4.407244  658.2523       99.20765 765.0026       
169.4971 602.6241       122.3558 58.83183 6.862321 52.68152 5.532066 6.150311 
8.814488 
1 1 1 -16 19  3  o 47.62130 5.032969  465.5638       94.38788 687.8178       
163.7092 354.8932       115.5219 55.77203 6.991620 39.47057 7.241570 16.30146 
10.06594 
1 1 1 -16 19  4  o 92.31938 4.448556  1827.058       172.4213 0.000000       
0.000000 1827.058       172.4213 ?        ?        92.31938 4.448556 ? ? 
1 1 1 -16 19  5  o 75.97623 3.994246  1275.217       124.5439 1113.780       
189.2789 1398.477       165.3914 71.34579 6.319096 80.60666 4.887233 -9.260872 
7.988493 
1 1 1 -16 19  6  o 67.73591 4.016682  994.6434       112.2045 1003.384       
176.0836 988.6679       145.5916 67.77734 6.188074 67.69448 5.122761 
0.8285522E-01  8.033364 
1 1 1 -16 19  7  o 52.53461 4.770347  598.0432       101.9350 645.7516       
168.6513 570.5829       127.9510 53.89141 7.454032 51.17781 5.955019 2.713604 
9.540694 
1 1 1 -16 19  8  o 71.63472 3.968383  1111.866       115.9681 1122.326       
187.6591 1105.403       147.5046 71.62809 6.240326 71.64136 4.904141 
-0.1326752E-01 7.936767 
1 1 1 -16 19  9  o 79.87164 3.786582  1400.609       124.2576 1271.892       
191.0524 1494.972       163.5819 76.35398 5.959938 83.38929 4.672466 -7.035309 
7.573164 
1 1 1 -16 19  10 o 52.60042 4.421454  615.1828       96.08916 526.6035       
141.2429 691.5016       131.1040 48.78209 6.896477 56.41875 5.534948 -7.636658 
8.842909 
1 1 1 -16 19  11 f 20.56098 6.012604  41.51615       84.94289 18.43532       
125.3397 61.12062       115.5155 19.94130 8.499040 21.18066 8.507170 -1.239357 
12.02521 
1 1 1 -16 19  12 o 120.9010 3.445925  3178.106       173.2714 2982.223       
258.2526 3338.476       233.6725 117.2167 5.247789 124.5853 4.467471 -7.368645 
6.891850 
1 1 1 -16 19  13 o 84.71349 3.326018  1563.161       115.9209 1474.309       
179.8213 1626.340       151.6333 82.37330 5.199669 87.05368 4.148859 -4.680382 
6.652037 
1 1 1 -16 19  14 o 66.07210 3.373387  946.0717       93.44713 970.0119       
129.9346 920.4229       134.4915 67.00150 4.619143 65.14268 4.917568 1.858818 
6.746774 
1 1 1 -16 19  15 o 47.87489 4.361293  509.0092       86.92828 588.9252       
124.2049 432.2796       121.7036 51.74499 5.717304 44.00479 6.587560 7.740204 
8.722587 
1 1 1 -16 19  16 o 45.79800 4.986916  474.9719       95.75058 462.3344       
137.7425 486.7888       133.1955 45.10245 7.274261 46.49354 6.823668 -1.391090 
9.973832 
1 1 1 -16 19  17 o 61.32557 4.127056  834.6315       106.2210 818.8489       
151.1132 850.0460       149.3409 60.69915 5.929811 61.95200 5.741752 -1.252846 
8.254112 
1 1 1 -16 19  18 o 103.5635 3.703559  2364.102       160.5978 2337.346       
234.9194 2387.577       220.0484 102.8193 5.442086 104.3077 5.024849 -1.488380 
7.407119 
1 1 1 -16 19  19 o 126.4240 4.305522  3573.504       227.2367 3392.563       
302.9299 3806.327       343.6260 123.0979 5.861549 129.7500 6.308115 -6.652077 
8.611044 
1 1 1 -16 19  20 o 29.31448 6.038581  200.0783       95.52065 14.23229       
137.9556 371.2298       132.3894 19.88558 8.700181 38.74337 8.376437 -18.85779 
12.07716 
1 1 1 -16 19  21 o 23.02847 6.358492  90.44968       96.19512 -11.84584      
139.5797 182.9897       132.7574 18.99410 8.497908 27.06283 9.460827 -8.068735 
12.71698 
1 1 1 -16 19  22 o 39.88795 5.420252  390.5843       88.27837 310.0312       
125.0826 470.5268       124.6077 34.78135 8.602574 44.99456 6.596382 -10.21320 
10.84050 
1 1 1 -16 19  23 o 27.58627 6.286981  195.7269       82.76102 232.1881       
124.0670 166.4948       111.0889 29.56419 9.104367 25.60834 8.672660 3.955847 
12.57396 
1 1 1 -16 19  24 o 35.10422 6.381042  321.1458       98.93092 488.3839       
151.3337 196.3368       130.7347 43.24629 8.640648 26.96214 9.392017 16.28415 
12.76208 
1 1 1 -16 19  25 o 36.53873 6.333153  367.4180       96.25990 395.9740       
142.8286 343.6532       130.2970 37.72490 9.108027 35.35257 8.802226 2.372330 
12.66631 
1 1 1 -16 19  26 o 61.88351 3.734454  883.5721       95.28349 959.2966       
151.6740 834.2043       122.4657 63.54255 5.685485 60.22448 4.843537 3.318073 
7.468908 
1 1 1 -16 20  1  o 51.42918 5.272162  613.3788       105.9047 567.8637       
172.7822 640.7687       134.0343 48.92140 8.726272 53.93695 5.919033 -5.015553 
10.54432 
1 1 1 -16 20  2  o 24.77834 6.197531  77.73806       90.18699 257.2445       
143.0549 -40.66669      116.1843 32.52628 9.728582 17.03040 7.680642 15.49588 
12.39506 
1 1 1 -16 20  3  o 36.31553 6.001818  327.4370       91.09472 227.6905       
149.2170 386.6977       115.0145 30.88144 10.05139 41.74961 6.561775 -10.86817 
12.00364 
1 1 1 -16 20  4  o 44.00024 5.936530  388.9298       101.0322 650.4147       
190.2515 286.2249       119.2341 53.21834 8.515063 34.78214 8.274253 18.43620 
11.87306 
1 1 1 -16 20  5  o 62.06197 4.753670  907.4998       113.8784 686.4697       
187.3203 1037.079       143.4260 54.90852 8.125803 69.21542 4.935669 -14.30691 
9.507339 
1 1 1 -16 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 20  7  o 69.16367 4.500715  1056.734       124.8351 1053.516       
209.1926 1058.514       155.5715 68.56446 7.267219 69.76287 5.311617 -1.198410 
9.001431 
1 1 1 -16 20  8  o 29.05580 6.855227  183.1770       97.61554 265.0807       
155.9328 130.3954       125.1778 33.01335 10.21499 25.09825 9.144972 7.915094 
13.71045 
1 1 1 -16 20  9  o 103.1187 4.529652  2334.108       187.1416 2413.766       
317.1725 2291.566       231.7885 103.6850 7.286192 102.5524 5.383531 1.132622 
9.059304 
1 1 1 -16 20  10 o 89.64579 4.447102  1672.023       142.2253 1985.871       
301.9310 1582.525       161.2340 93.61633 7.682050 85.67525 4.482519 7.941071 
8.894204 
1 1 1 -16 20  11 o 67.22341 4.562311  1027.273       124.4286 883.0196       
193.4539 1129.060       162.5025 62.54146 7.367675 71.90536 5.382944 -9.363903 
9.124621 
1 1 1 -16 20  12 f 44.73486 5.799920  466.9805       103.4807 467.0239       
166.6001 466.9532       132.0401 43.84506 9.329452 45.62467 6.893302 -1.779610 
11.59984 
1 1 1 -16 20  13 o 38.13952 6.284345  365.7493       101.8564 248.5932       
158.7662 447.6982       132.7845 31.76208 10.36802 44.51696 7.104653 -12.75487 
12.56869 
1 1 1 -16 20  14 o 66.63982 3.765820  971.8478       105.2349 918.8618       
144.8811 1031.023       153.1088 64.71809 5.332210 68.56155 5.319130 -3.843460 
7.531641 
1 1 1 -16 20  15 o 23.10509 6.087115  108.7241       79.47901 95.32898       
114.4308 121.2088       110.4742 22.44969 8.619330 23.76049 8.597617 -1.310799 
12.17423 
1 1 1 -16 20  16 o 42.21445 5.002882  410.6145       86.22764 420.7057       
129.6716 402.6152       115.4519 42.18796 7.598272 42.24094 6.510113 
-0.5297852E-01 10.00576 
1 1 1 -16 20  17 o 66.04995 4.017902  970.8787       110.7485 976.2438       
165.8989 966.5659       148.7455 66.00641 5.986576 66.09349 5.360511 
-0.8708191E-01 8.035805 
1 1 1 -16 20  18 o 100.2076 3.955723  2244.562       165.5546 2193.323       
244.9228 2287.669       224.6479 98.81553 5.903712 101.5997 5.266606 -2.784218 
7.911445 
1 1 1 -16 20  19 o 77.01381 3.968647  1334.825       127.6050 1202.863       
182.5211 1460.992       178.4686 72.96416 5.958330 81.06345 5.243942 -8.099297 
7.937293 
1 1 1 -16 20  20 o 56.55943 4.166385  723.5129       98.80926 768.5252       
143.9256 683.3840       135.8947 58.22213 5.888045 54.89673 5.896267 3.325401 
8.332769 
1 1 1 -16 20  21 o 63.72610 4.333549  930.7138       115.3336 947.5972       
172.5131 917.0690       155.0876 63.98006 6.422416 63.47215 5.819893 0.5079117 
8.667098 
1 1 1 -16 20  22 o 47.36013 4.968806  532.8710       98.56312 542.4868       
144.7805 524.5650       134.5587 47.58043 7.247742 47.13984 6.798997 0.4405861 
9.937612 
1 1 1 -16 20  23 o 26.29665 6.636482  182.7423       92.30759 198.5886       
139.0320 170.2510       123.4398 27.05612 9.659379 25.53719 9.103186 1.518923 
13.27296 
1 1 1 -16 20  24 o 14.89262 4.967416  -81.32578      80.94116 -46.38634      
117.5454 -112.8317      111.6205 15.93606 7.382634 13.84918 6.648128 2.086875 
9.934832 
1 1 1 -16 20  25 o 20.89621 6.235328  89.66719       93.62453 86.47969       
138.5739 92.34418       126.9930 20.93616 8.930175 20.85627 8.704552 
0.7988358E-01  12.47066 
1 1 1 -16 20  26 o 35.39014 8.514750  476.3102       150.7935 487.7131       
246.5414 469.4949       190.6028 33.99869 12.76149 36.78158 11.27600 -2.782894 
17.02950 
1 1 1 -16 21  1  o 69.83775 4.885334  1079.214       130.7526 1173.612       
242.9383 1040.719       155.1391 70.91192 8.160145 68.76360 5.373826 2.148323 
9.770669 
1 1 1 -16 21  2  o 75.55087 4.215900  1235.573       123.2061 1352.280       
226.2243 1186.360       146.9042 77.26211 6.974190 73.83965 4.738770 3.422462 
8.431801 
1 1 1 -16 21  3  o 33.43821 6.952928  288.5373       101.6630 221.6116       
192.8293 314.3011       119.6415 30.60666 11.32598 36.26976 8.068144 -5.663107 
13.90586 
1 1 1 -16 21  4  o 32.78716 6.992722  252.1840       110.7896 396.3654       
165.3073 134.6111       149.2765 39.79474 9.918324 25.77959 9.859993 14.01515 
13.98544 
1 1 1 -16 21  5  o 25.39777 6.732807  130.9440       100.4417 59.06712       
155.7690 182.0982       131.4096 22.93193 9.609850 27.86360 9.432578 -4.931675 
13.46561 
1 1 1 -16 21  6  o 53.22407 5.666934  721.9281       110.7125 406.3130       
169.2900 957.7900       146.3462 40.28581 10.03488 66.16233 5.268556 -25.87652 
11.33387 
1 1 1 -16 21  7  o 51.79308 5.396318  629.9664       111.2727 544.4594       
168.8228 695.6454       147.9598 47.68801 8.759634 55.89815 6.304744 -8.210144 
10.79264 
1 1 1 -16 21  8  o 45.75017 9.129534  507.2173       169.1471 507.2173       
169.1471 0.000000       0.000000 45.75017 9.129534 ?        ?        ? ? 
1 1 1 -16 21  9  o 29.14777 6.857069  200.5446       96.65312 224.2132       
153.2156 184.9001       124.5658 30.36354 10.18517 27.93199 9.183669 2.431555 
13.71414 
1 1 1 -16 21  10 o 19.26148 5.895742  0.2760658      89.72990 -53.97767      
127.0346 54.29583       126.7603 17.32584 7.890885 21.19712 8.762022 -3.871279 
11.79148 
1 1 1 -16 21  11 o 54.03845 5.319391  695.2159       112.2326 573.0490       
174.6740 781.1130       146.4673 48.71815 8.867984 59.35875 5.877289 -10.64059 
10.63878 
1 1 1 -16 21  12 o 79.57263 4.270643  1440.878       136.7885 1280.572       
219.2811 1542.995       175.0152 75.12417 6.952525 84.02110 4.961448 -8.896935 
8.541286 
1 1 1 -16 21  13 o 69.35820 4.127803  1001.936       113.0812 1277.411       
205.5770 882.4223       135.4072 75.29019 6.503650 63.42621 5.085035 11.86398 
8.255607 
1 1 1 -16 21  14 o 19.27811 5.847508  11.68866       85.85082 -34.04199      
116.4953 66.04481       127.0074 17.03194 7.685606 21.52427 8.815037 -4.492332 
11.69502 
1 1 1 -16 21  15 o 74.32765 3.512122  1210.373       108.8647 1246.562       
164.6031 1182.235       145.1426 75.13957 5.217835 73.51574 4.702573 1.623833 
7.024243 
1 1 1 -16 21  16 o 80.66747 3.413254  1439.137       113.9758 1168.507       
160.4887 1714.523       161.8928 72.62223 5.263758 88.71271 4.346732 -16.09048 
6.826509 
1 1 1 -16 21  17 o 16.68114 5.451987  -70.06287      89.94316 -40.52653      
132.4102 -95.36729      122.5580 17.78378 8.087834 15.57850 7.313248 2.205283 
10.90397 
1 1 1 -16 21  18 o 29.92767 6.747377  232.8333       96.03117 210.1392       
139.2511 253.4142       132.6094 28.61925 9.709932 31.23610 9.371531 -2.616846 
13.49475 
1 1 1 -16 21  19 o 26.04327 6.407362  167.7359       86.17077 187.0346       
123.6140 149.4927       120.1860 27.14054 9.148519 24.94600 8.973392 2.194544 
12.81472 
1 1 1 -16 21  20 f 40.71492 6.082383  422.7066       100.5601 432.4947       
147.2011 414.1413       137.7008 40.98413 8.808050 40.44571 8.390457 0.5384140 
12.16477 
1 1 1 -16 21  21 o 50.07737 5.011565  600.4542       104.8746 543.6283       
148.6794 656.7264       147.9534 47.37085 7.475852 52.78389 6.676435 -5.413036 
10.02313 
1 1 1 -16 21  22 o 58.83064 4.063319  807.0024       99.06793 718.5154       
145.7835 882.9267       135.0390 55.28104 6.281353 62.38023 5.156243 -7.099197 
8.126638 
1 1 1 -16 21  23 o 23.51885 6.073971  88.77528       92.78037 284.2126       
138.8665 -68.81250      124.6967 31.26085 9.633146 15.77684 7.401012 15.48402 
12.14794 
1 1 1 -16 21  24 o 21.32879 6.288533  100.3540       93.47453 94.17519       
140.3241 105.2829       125.3290 21.27958 9.028461 21.37801 8.756111 
-0.9842873E-01 12.57707 
1 1 1 -16 21  25 f 32.25021 8.336320  405.0876       151.7085 344.6385       
246.0570 442.1599       192.6925 29.20971 12.14888 35.29071 11.41847 -6.080996 
16.67264 
1 1 1 -16 22  1  o 73.94496 4.340774  1264.340       129.3569 1091.580       
204.2653 1380.014       167.1442 68.77427 7.074401 79.11565 5.032107 -10.34138 
8.681547 
1 1 1 -16 22  2  o 40.19553 6.081558  332.6738       109.6857 754.3276       
186.0091 107.8952       135.8106 56.70980 7.812630 23.68127 9.322244 33.02853 
12.16312 
1 1 1 -16 22  3  o 47.21135 6.161701  522.0683       117.3683 753.0159       
182.7556 359.9542       153.1173 56.85320 7.656618 37.56951 9.656213 19.28369 
12.32340 
1 1 1 -16 22  4  o 47.65729 6.466706  560.8441       124.6433 562.1046       
179.1375 559.6610       173.5402 47.59573 9.296400 47.71884 8.991667 
-0.1231117     12.93341 
1 1 1 -16 22  5  o 19.38102 6.135582  -25.18148      102.3821 6.943625       
153.2563 -51.07365      137.5879 20.74293 9.121872 18.01911 8.208100 2.723812 
12.27116 
1 1 1 -16 22  6  o 22.30646 6.376887  15.91596       103.9524 192.0795       
154.3764 -130.2261      140.6081 28.36518 10.17329 16.24774 7.691743 12.11743 
12.75377 
1 1 1 -16 22  7  o 56.67928 4.600151  716.1116       108.4446 794.6416       
167.7924 659.7785       142.1140 59.15644 6.756025 54.20211 6.245131 4.954334 
9.200301 
1 1 1 -16 22  8  o 43.03005 5.782374  449.5667       99.72202 395.7988       
155.1436 487.4209       130.1757 39.70039 9.434573 46.35971 6.688215 -6.659325 
11.56475 
1 1 1 -16 22  9  o 37.33997 6.388401  354.5334       99.01279 297.2055       
154.0778 394.8604       129.2276 34.02110 10.08038 40.65886 7.850637 -6.637760 
12.77680 
1 1 1 -16 22  10 o 61.07518 7.863085  872.1584       201.6214 872.1584       
201.6214 0.000000       0.000000 61.07518 7.863085 ?        ?        ? ? 
1 1 1 -16 22  11 o 92.10056 4.067770  1917.115       150.0380 1792.948       
247.2607 1989.479       188.7617 88.82081 6.630731 95.38032 4.713856 -6.559509 
8.135541 
1 1 1 -16 22  12 o 24.13805 6.569205  120.2051       93.94913 81.61331       
154.2830 142.9488       118.4408 23.29582 9.650272 24.98029 8.915720 -1.684477 
13.13841 
1 1 1 -16 22  13 o 22.44691 6.555922  66.54393       99.89709 124.8320       
154.1507 24.34111       131.1675 24.97008 9.899320 19.92375 8.597901 5.046329 
13.11184 
1 1 1 -16 22  14 o 59.61882 5.082603  819.9720       120.7311 843.7686       
205.7273 807.4716       149.1068 59.35575 8.255630 59.88189 5.930933 
-0.5261383     10.16521 
1 1 1 -16 22  15 o 48.51339 4.842624  542.3290       98.46677 585.6494       
143.5277 503.8107       135.3389 50.37852 6.785962 46.64825 6.910481 3.730267 
9.685248 
1 1 1 -16 22  16 o 20.38900 6.050573  28.38157       91.40519 120.9328       
134.6244 -50.77400      124.5012 23.90963 9.312531 16.86838 7.727516 7.041254 
12.10115 
1 1 1 -16 22  17 o 43.37685 5.644733  460.2756       100.0011 446.4517       
147.6442 471.9924       135.9271 42.03656 8.662043 44.71715 7.240239 -2.680584 
11.28947 
1 1 1 -16 22  18 o 53.10581 4.758879  654.9960       105.2011 776.8885       
154.7305 550.2121       143.4613 57.96383 6.358284 48.24779 7.082367 9.716042 
9.517757 
1 1 1 -16 22  19 o 39.38229 6.202767  405.2859       100.6836 321.5317       
142.5807 488.5892       142.1962 34.47924 9.535568 44.28534 7.935378 -9.806099 
12.40553 
1 1 1 -16 22  20 o 50.99401 5.023208  624.1708       107.4264 664.1818       
154.7681 586.9716       149.2310 52.66263 7.000029 49.32539 7.206252 3.337238 
10.04642 
1 1 1 -16 22  21 o 16.83482 5.509819  -64.68102      95.15713 -149.7367      
138.6368 11.08359       130.8459 15.05397 7.270556 18.61566 8.280787 -3.561691 
11.01964 
1 1 1 -16 22  22 o 21.50415 6.275788  97.46281       92.48431 70.36779       
136.4303 120.5002       125.8006 20.60065 8.826246 22.40766 8.924094 -1.807013 
12.55158 
1 1 1 -16 22  23 o 26.39513 6.657634  208.4722       94.54585 173.7249       
138.7941 238.5551       129.1430 24.57294 9.479318 28.21732 9.350876 -3.644377 
13.31527 
1 1 1 -16 22  24 o 19.04444 6.239768  -6.456593      105.4743 86.45615       
197.6009 -43.47633      124.7291 22.04799 9.976089 16.04089 7.497765 6.007103 
12.47954 
1 1 1 -16 23  1  o 65.09014 4.993196  952.0484       130.3502 1135.399       
226.4484 861.1895       159.4087 68.79839 7.839929 61.38190 6.185755 7.416489 
9.986393 
1 1 1 -16 23  2  o 26.78115 7.289746  155.4993       113.1736 238.9346       
184.8730 105.4912       143.1261 30.06670 11.09713 23.49561 9.455964 6.571095 
14.57949 
1 1 1 -16 23  3  o 36.61608 7.078353  355.8598       112.9692 302.2953       
158.5231 411.1330       161.0315 33.57550 10.28141 39.65666 9.731642 -6.081158 
14.15671 
1 1 1 -16 23  4  o 23.42639 6.784671  88.33596       108.3560 144.5464       
153.3533 32.29364       153.1239 25.60878 9.946434 21.24399 9.230142 4.364788 
13.56934 
1 1 1 -16 23  5  o 19.08389 6.118294  -36.52292      106.4117 -10.62182      
154.3481 -59.98631      146.9053 19.98858 8.939677 18.17921 8.355613 1.809376 
12.23659 
1 1 1 -16 23  6  o 59.08773 4.890075  793.1148       118.8467 873.8752       
191.1713 742.2404       151.7306 61.06050 7.457331 57.11495 6.327681 3.945557 
9.780149 
1 1 1 -16 23  7  o 22.41183 6.508323  74.31676       97.81513 119.1934       
148.5981 40.00447       129.9356 24.44769 9.710827 20.37596 8.667925 4.071735 
13.01665 
1 1 1 -16 23  8  o 18.81165 5.955328  -22.81846      96.24256 20.82405       
146.9679 -55.58545      127.3462 20.60384 8.997420 17.01947 7.804494 3.584368 
11.91066 
1 1 1 -16 23  9  f 19.57467 6.083874  3.502546       95.71886 41.65509       
146.7454 -24.75112      126.2816 21.29210 9.139202 17.85725 8.033000 3.434853 
12.16775 
1 1 1 -16 23  10 o 69.31187 4.827758  1079.390       129.3406 1186.073       
237.0047 1034.142       154.3516 70.51434 8.005724 68.10940 5.397903 2.404938 
9.655516 
1 1 1 -16 23  11 f 17.90196 7.962018  -11.45537      120.9219 0.000000       
0.000000 -11.45537      120.9219 ?        ?        17.90196 7.962018 ? ? 
1 1 1 -16 23  12 o 20.46489 6.400134  17.50053       101.5953 -11.46674      
187.8122 29.48318       120.7943 21.56755 9.744002 19.36223 8.300679 2.205317 
12.80027 
1 1 1 -16 23  13 o 44.94865 5.857645  498.6628       104.3326 479.3791       
168.2286 510.7158       132.9997 42.94432 9.577393 46.95300 6.746966 -4.008678 
11.71529 
1 1 1 -16 23  14 o 78.19525 4.587137  1428.405       141.9181 1343.764       
238.9836 1474.513       176.3871 75.09451 7.580206 81.29599 5.167955 -6.201477 
9.174273 
1 1 1 -16 23  15 f 32.88266 6.503096  283.2341       93.29105 304.4516       
135.2527 263.9788       128.8472 34.03772 9.232000 31.72759 9.161397 2.310129 
13.00619 
1 1 1 -16 23  16 o 61.43248 3.764765  842.4612       96.69363 945.0485       
144.3708 759.0076       130.2133 64.81017 5.305880 58.05480 5.342422 6.755363 
7.529531 
1 1 1 -16 23  17 o 46.79051 5.428750  540.1994       102.7060 479.8893       
150.3777 592.9293       140.6101 43.33206 8.570936 50.24897 6.665160 -6.916908 
10.85750 
1 1 1 -16 23  18 o 53.10305 4.724575  667.3836       105.2626 651.5835       
150.0837 682.6802       147.6732 52.35114 6.828548 53.85497 6.531259 -1.503830 
9.449149 
1 1 1 -16 23  19 o 19.83078 6.138153  34.58322       97.60739 21.03254       
140.0374 47.38660       136.1212 19.47500 8.625359 20.18656 8.735609 
-0.7115555     12.27631 
1 1 1 -16 23  20 o 55.77720 4.788988  754.5818       111.9764 711.8101       
158.1224 797.6100       158.5959 53.95810 6.980038 57.59629 6.558710 -3.638191 
9.577975 
1 1 1 -16 23  21 o 17.63962 5.718188  -17.25525      96.01281 -1.655239      
139.8986 -31.14553      132.0098 18.25033 8.303585 17.02890 7.863915 1.221428 
11.43638 
1 1 1 -16 23  22 o 22.61491 6.422319  133.0306       92.80545 151.7758       
137.7320 117.4425       125.5990 23.45693 9.339046 21.77289 8.818556 1.684042 
12.84464 
1 1 1 -16 24  1  o 24.39535 6.896027  133.4880       106.9284 114.0502       
164.6098 147.6774       140.6420 23.97600 9.952220 24.81471 9.548511 
-0.8387127     13.79205 
1 1 1 -16 24  2  o 21.07946 6.433618  45.69036       105.1317 4.020308       
154.0721 81.99672       143.8147 19.97880 8.933586 22.18012 9.260496 -2.201328 
12.86724 
1 1 1 -16 24  3  o 26.18746 7.233695  161.4798       119.0924 86.87147       
177.9724 221.9771       160.2607 23.61437 10.09794 28.76055 10.36036 -5.146181 
14.46739 
1 1 1 -16 24  4  f 51.82615 6.458409  662.9150       133.5204 980.3922       
207.5172 438.6337       174.4192 63.70040 7.759486 39.95190 10.32640 23.74850 
12.91682 
1 1 1 -16 24  5  f 25.76268 7.132765  150.0969       115.9960 76.57605       
173.6592 209.3234       155.8657 23.24507 9.958545 28.28028 10.21434 -5.035210 
14.26553 
1 1 1 -16 24  6  o 22.54961 6.395524  84.82747       98.56232 -14.87086      
148.3465 163.6195       131.8786 19.27588 8.686885 25.82335 9.388765 -6.547480 
12.79105 
1 1 1 -16 24  7  o 35.64761 5.939776  334.3012       102.7330 102.8837       
150.1620 537.9266       140.8568 23.44156 9.590036 47.85366 7.011060 -24.41210 
11.87955 
1 1 1 -16 24  8  o 24.50914 6.733098  130.3962       98.92704 166.6743       
148.9798 101.7835       132.3074 26.21885 9.901847 22.79942 9.126437 3.419432 
13.46620 
1 1 1 -16 24  9  o 21.72856 6.523500  58.04252       99.00873 97.67980       
169.1296 37.37708       122.1209 23.85852 10.00652 19.59861 8.372205 4.259909 
13.04700 
1 1 1 -16 24  10 o 23.81954 6.800282  93.78758       100.5056 195.4603       
175.3769 44.06597       122.6430 27.76519 10.66757 19.87389 8.436720 7.891300 
13.60056 
1 1 1 -16 24  11 o 30.87572 6.629000  268.4753       104.6733 105.0721       
176.9053 356.4997       129.8411 24.28606 10.21210 37.46537 8.455026 -13.17931 
13.25800 
1 1 1 -16 24  12 o 63.62751 4.793569  959.0025       121.5718 906.7507       
201.6976 988.8172       152.3579 61.10273 7.862510 66.15229 5.485815 -5.049561 
9.587138 
1 1 1 -16 24  13 o 33.43604 11.95193  338.0015       212.9180 0.000000       
0.000000 338.0015       212.9180 ?        ?        33.43604 11.95193 ? ? 
1 1 1 -16 24  14 o 29.29302 7.136688  193.3071       103.9198 379.8281       
184.9796 107.2924       125.6164 35.98674 11.12393 22.59931 8.943564 13.38743 
14.27338 
1 1 1 -16 24  15 o 29.70272 7.177116  245.7078       106.0094 235.6691       
178.1575 251.2104       131.9013 28.99516 10.85517 30.41029 9.391982 -1.415127 
14.35423 
1 1 1 -16 24  16 o 47.19018 5.079968  536.9611       100.5067 575.6187       
145.8475 502.0006       138.6978 48.86874 7.108677 45.51162 7.258858 3.357128 
10.15994 
1 1 1 -16 24  17 o 71.60674 3.778641  1171.200       113.4648 1097.253       
158.0800 1249.781       162.9580 69.16686 5.443773 74.04662 5.241932 -4.879761 
7.557283 
1 1 1 -16 24  18 o 61.51910 4.517056  907.7691       115.9326 831.3889       
167.2966 978.3350       160.8030 58.50815 6.810702 64.53004 5.935446 -6.021885 
9.034112 
1 1 1 -16 24  19 o 28.28937 6.829196  238.2508       99.90391 182.1958       
143.5411 290.9157       139.1329 25.30994 9.672105 31.26880 9.643757 -5.958864 
13.65839 
1 1 1 -16 24  20 o 18.80544 5.920843  10.58164       99.11433 -92.31796      
143.4623 104.5462       137.0922 16.07305 7.672331 21.53783 9.020025 -5.464785 
11.84169 
1 1 1 -16 24  21 o 37.22390 5.728095  370.8041       103.8501 716.8971       
157.5572 104.9412       138.0927 53.05039 7.074091 21.39741 9.011188 31.65299 
11.45619 
1 1 1 -16 25  1  o 34.29133 7.179519  352.6419       112.9856 288.5067       
163.4341 411.3536       156.3712 30.72254 10.51934 37.86012 9.773716 -7.137577 
14.35904 
1 1 1 -16 25  2  o 38.11114 6.947014  411.6699       111.6758 424.5207       
164.3286 400.6415       152.2312 38.41051 10.06791 37.81176 9.575027 0.5987511 
13.89403 
1 1 1 -16 25  3  o 17.37768 5.769155  -78.36971      107.1912 -91.15453      
157.1697 -67.25157      146.5675 17.40855 8.201652 17.34681 8.115755 
0.6174278E-01  11.53831 
1 1 1 -16 25  4  o 20.51851 6.396497  20.71260       110.2278 97.84776       
156.4334 -55.35168      155.3437 22.84090 9.603677 18.19612 8.451633 4.644785 
12.79299 
1 1 1 -16 25  5  o 63.72660 5.068149  980.6687       135.4063 1022.555       
190.2966 937.7120       192.7130 65.37210 6.933613 62.08110 7.393886 3.291000 
10.13630 
1 1 1 -16 25  6  o 78.05820 4.466118  1434.075       145.0547 1292.190       
210.7834 1561.716       199.9239 73.71390 6.810957 82.40251 5.778902 -8.688614 
8.932237 
1 1 1 -16 25  7  o 20.86027 6.143497  -10.53676      106.4792 192.1843       
147.2945 -232.4374      154.1049 26.91533 9.908934 14.80520 7.265208 12.11012 
12.28699 
1 1 1 -16 25  8  o 19.71292 6.029275  28.98475       95.72137 -81.16923      
159.7243 90.71805       119.5723 17.93244 8.405740 21.49341 8.645935 -3.560963 
12.05855 
1 1 1 -16 25  9  o 25.29659 6.951371  120.8771       105.4696 278.7634       
178.9971 36.90840       130.5367 30.86630 10.96607 19.72687 8.545852 11.13942 
13.90274 
1 1 1 -16 25  10 o 32.47633 6.934729  190.9930       102.4498 583.5350       
206.5327 62.87931       117.9896 44.80352 11.03742 20.14913 8.398639 24.65440 
13.86946 
1 1 1 -16 25  11 o 42.29909 6.270427  298.3745       104.9056 983.9542       
232.2568 122.6578       117.5834 61.64128 8.974656 22.95689 8.759484 38.68440 
12.54085 
1 1 1 -16 25  12 o 26.41817 6.929617  148.9281       98.84786 309.5224       
176.4957 75.53409       119.3162 32.15483 10.93160 20.68151 8.519299 11.47332 
13.85923 
1 1 1 -16 25  13 o 18.75984 5.882523  -13.95175      101.6017 -225.8358      
177.9603 88.51049       123.7531 16.17585 7.903915 21.34383 8.714610 -5.167978 
11.76505 
1 1 1 -16 25  14 o 20.51709 6.402316  43.39320       103.0118 24.23850       
183.7785 52.16831       124.3894 21.28436 9.626217 19.74982 8.443610 1.534546 
12.80463 
1 1 1 -16 25  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 25  16 o 37.89481 5.538670  297.5001       105.9588 831.6815       
179.2022 10.35328       131.3866 57.47178 7.426938 18.31785 8.218762 39.15393 
11.07734 
1 1 1 -16 25  17 o 29.34134 6.594073  245.4559       95.68847 357.9286       
142.9608 154.1708       128.7933 34.88262 9.504942 23.80005 9.142388 11.08257 
13.18815 
1 1 1 -16 25  18 o 51.73088 5.247845  692.1428       105.9685 486.7748       
147.3650 912.0456       152.4907 41.79345 8.687317 61.66832 5.889824 -19.87487 
10.49569 
1 1 1 -16 25  19 o 25.77604 6.754207  200.4236       100.0737 140.3614       
143.0702 257.9602       140.0299 22.89770 9.363074 28.65437 9.737047 -5.756666 
13.50841 
1 1 1 -16 26  1  o 49.61491 6.772561  730.4105       135.7910 618.7465       
202.3076 821.9655       183.1878 43.47276 11.05578 55.75706 7.825603 -12.28429 
13.54512 
1 1 1 -16 26  2  o 19.10938 6.119174  8.020797       108.7041 -79.22039      
156.7762 88.79802       150.8564 16.99256 8.080961 21.22620 9.191039 -4.233637 
12.23835 
1 1 1 -16 26  3  o 24.01073 6.923768  157.6524       110.1442 170.9440       
161.0208 145.9642       150.9970 24.53817 9.966707 23.48329 9.613479 1.054876 
13.84754 
1 1 1 -16 26  4  o 50.16359 6.615711  708.9608       136.3105 658.6711       
191.1936 760.9462       194.3904 47.44139 9.920699 52.88579 8.755014 -5.444405 
13.23142 
1 1 1 -16 26  5  o 20.60190 6.422391  41.77983       110.3455 -32.83917      
150.9015 127.5333       161.7687 17.99744 8.348022 23.20637 9.762119 -5.208929 
12.84478 
1 1 1 -16 26  6  o 24.00011 6.768791  140.9684       107.1948 222.2146       
150.5732 57.47570       152.6407 27.31166 10.02213 20.68857 9.100721 6.623087 
13.53758 
1 1 1 -16 26  7  o 25.75107 6.781193  188.5559       101.8217 122.0495       
161.9178 232.0592       130.9557 23.18624 9.760745 28.31590 9.416272 -5.129663 
13.56239 
1 1 1 -16 26  8  o 28.88507 7.146295  235.6587       100.2796 304.5285       
184.5005 206.7835       119.4663 30.63111 11.10815 27.13903 8.993725 3.492075 
14.29259 
1 1 1 -16 26  9  o 24.65493 6.729656  165.6594       99.58203 104.7895       
180.3327 192.3644       119.4454 23.04152 10.01400 26.26834 8.992939 -3.226826 
13.45931 
1 1 1 -16 26  10 o 19.15656 6.077747  23.12906       95.10999 19.25026       
172.8959 24.81214       113.8907 20.36714 9.257166 17.94598 7.877874 2.421158 
12.15549 
1 1 1 -16 26  11 o 21.98916 6.572242  68.16170       96.70104 210.7868       
178.4893 8.905477       115.0486 26.58592 10.61679 17.39240 7.749922 9.193521 
13.14448 
1 1 1 -16 26  12 o 35.29816 7.427796  340.3715       111.5319 564.9770       
206.0415 247.2825       132.6459 41.63524 11.44019 28.96108 9.476844 12.67416 
14.85559 
1 1 1 -16 26  13 o 38.15114 7.474926  403.0542       114.4207 624.8058       
217.7206 318.4380       134.4909 43.27698 11.70202 33.02530 9.303807 10.25169 
14.94985 
1 1 1 -16 26  14 o 20.49257 6.419927  60.95462       105.8537 31.15679       
190.9085 74.18246       127.1972 20.86609 9.563110 20.11905 8.567890 0.7470417 
12.83985 
1 1 1 -16 26  15 o 39.44749 7.136689  423.1621       111.9914 676.3992       
207.0217 318.3948       133.1573 46.14320 10.85554 32.75180 9.267507 13.39140 
14.27338 
1 1 1 -16 26  16 o 22.85007 6.600110  137.8037       106.0578 21.94181       
190.6237 189.7482       127.6369 20.40893 9.434348 25.29120 9.232490 -4.882277 
13.20022 
1 1 1 -16 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -16 27  6  o 27.94973 7.341584  257.2271       115.3725 219.6471       
157.6593 300.5525       169.2827 26.22490 10.10584 29.67455 10.65211 -3.449652 
14.68317 
1 1 1 -16 27  7  o 38.83599 7.296019  417.6206       113.9903 689.6245       
212.3766 307.5505       135.0996 45.88229 11.12441 31.78969 9.443255 14.09260 
14.59204 
1 1 1 -16 27  8  o 17.44061 5.804489  -67.54308      99.42809 65.94204       
176.6899 -129.4005      120.2793 21.06298 9.487028 13.81824 6.690639 7.244737 
11.60898 
1 1 1 -16 27  9  o 19.37784 6.173580  15.85771       98.83485 127.0714       
173.8474 -37.25370      120.1387 22.79520 9.868448 15.96048 7.420653 6.834718 
12.34716 
1 1 1 -16 27  10 o 21.27066 6.366194  97.63562       103.6254 -58.54633      
200.2301 154.7701       121.1053 19.08079 9.097575 23.46053 8.907741 -4.379744 
12.73239 
1 1 1 -16 27  11 o 17.90245 5.865938  -11.25865      99.83608 -24.59704      
176.2375 -4.955573      121.1498 18.86357 8.839932 16.94134 7.713137 1.922226 
11.73188 
1 1 1 -16 27  12 o 26.12684 7.120820  189.7639       104.3177 323.1429       
185.8989 128.4595       126.0314 30.07867 11.12259 22.17501 8.894503 7.903666 
14.24164 
1 1 1 -15 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 1  o 35.75505 3.984170  312.0494       49.27425 349.0205       
58.39037 220.5919       91.83740 40.51875 3.432467 30.99136 7.191149 9.527388 
7.968340 
1 1 1 -15 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 1  o 48.70605 2.675177  491.8109       53.96360 430.2294       
69.69356 584.0057       85.27469 45.00693 3.688369 52.40517 3.875851 -7.398239 
5.350354 
1 1 1 -15 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 1  o 29.43882 3.240600  177.2652       36.79641 99.65440       
46.90673 301.4379       59.33176 21.16892 5.287777 37.70872 3.747715 -16.53980 
6.481200 
1 1 1 -15 -25 2  o 51.19860 2.401305  548.1279       50.96862 513.3631       
66.19559 598.7495       79.87811 49.25567 3.201060 53.14153 3.580261 -3.885860 
4.802609 
1 1 1 -15 -25 3  o 16.02716 6.766815  9.565042       78.19858 0.000000       
0.000000 9.565042       78.19858 ?        ?        16.02716 6.766815 ? ? 
1 1 1 -15 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 1  o 62.56557 2.587333  783.4456       59.37240 740.1498       
68.05245 921.4329       121.4899 59.24946 2.735775 65.88167 4.392347 -6.632206 
5.174667 
1 1 1 -15 -24 2  o 95.65108 1.920877  1925.566       75.67816 1908.614       
97.76754 1950.907       119.5341 95.16969 2.446905 96.13247 2.961712 
-0.9627838     3.841755 
1 1 1 -15 -24 3  o 51.98013 2.131941  585.4343       45.33648 683.3455       
61.43501 468.3531       67.18044 56.92041 2.570804 47.03986 3.401715 9.880547 
4.263883 
1 1 1 -15 -24 4  o 49.40376 2.495471  511.8893       51.06275 485.1769       
66.25508 550.9674       80.13627 47.86512 3.297017 50.94240 3.746889 -3.077286 
4.990941 
1 1 1 -15 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 1  o 60.54337 3.125993  783.5363       77.47663 809.1080       
100.0572 745.2465       122.4365 61.85726 3.852822 59.22947 4.923728 2.627789 
6.251986 
1 1 1 -15 -23 2  o 64.62769 2.509605  873.0361       66.95581 934.8990       
106.2121 832.2389       86.25293 66.47349 3.805807 62.78190 3.272355 3.691589 
5.019210 
1 1 1 -15 -23 3  o 124.0258 2.529500  3258.606       126.6218 3236.064       
209.8407 3271.514       158.7884 123.5564 4.045251 124.4951 3.037997 
-0.9387131     5.059000 
1 1 1 -15 -23 4  o 135.4847 2.607891  3879.720       141.7803 3917.370       
239.0183 3859.281       176.1089 135.8129 4.191905 135.1566 3.103597 0.6562805 
5.215782 
1 1 1 -15 -23 5  o 47.94688 2.858296  489.5067       56.88761 398.8150       
79.00916 587.1357       81.97526 43.27987 4.348231 52.61388 3.711107 -9.334011 
5.716592 
1 1 1 -15 -23 6  o 29.96038 4.520037  215.3363       56.59325 293.6462       
74.86192 110.8975       86.45367 37.02993 4.815364 22.89084 7.650831 14.13909 
9.040074 
1 1 1 -15 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 1  o 82.23995 2.930959  1432.031       99.90733 1445.509       
131.5831 1413.684       153.5209 82.74418 3.787771 81.73573 4.473800 1.008453 
5.861919 
1 1 1 -15 -22 2  f 44.47677 3.206342  433.8391       57.76122 334.1779       
86.70011 513.3754       77.45318 39.65653 5.207460 49.29701 3.742310 -9.640480 
6.412685 
1 1 1 -15 -22 3  o 116.2664 2.446882  2857.479       114.2471 2845.990       
191.6632 2863.811       142.2890 115.9816 3.936140 116.5512 2.907875 
-0.5695343     4.893765 
1 1 1 -15 -22 4  o 50.27583 2.776736  513.7381       57.42091 664.5812       
92.70164 419.8345       73.14182 56.02188 3.941402 44.52977 3.912338 11.49212 
5.553471 
1 1 1 -15 -22 5  o 43.23943 2.844581  389.6255       50.69278 431.4391       
81.28165 363.0088       64.85030 45.07473 4.295172 41.40414 3.730691 3.670589 
5.689161 
1 1 1 -15 -22 6  f 85.20256 2.307936  1534.487       81.51751 1541.640       
125.7527 1529.304       107.0572 85.32334 3.510514 85.08178 2.997093 0.2415619 
4.615871 
1 1 1 -15 -22 7  o 59.98848 2.732375  766.7213       68.14213 749.2128       
103.1895 780.2603       90.74125 59.32524 4.143019 60.65173 3.563548 -1.326485 
5.464749 
1 1 1 -15 -22 8  o 67.02333 2.826787  949.8725       77.09640 988.0645       
126.6209 927.3719       97.18861 67.96806 4.437329 66.07861 3.503286 1.889458 
5.653574 
1 1 1 -15 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -21 1  o 47.07405 4.939767  468.8701       97.62633 468.8701       
97.62633 0.000000       0.000000 47.07405 4.939767 ?        ?        ? ? 
1 1 1 -15 -21 2  o 110.6920 2.464931  2615.172       111.8132 2425.978       
174.9174 2745.898       145.3986 107.2054 3.886311 114.1786 3.033169 -6.973167 
4.929861 
1 1 1 -15 -21 3  o 78.55910 2.304708  1310.434       75.44922 1156.085       
108.5130 1454.889       104.9774 74.02359 3.491666 83.09460 3.009152 -9.071014 
4.609417 
1 1 1 -15 -21 4  o 31.71059 4.047508  232.4479       50.47720 144.9191       
75.35806 303.6797       67.98155 25.55050 6.873684 37.87068 4.275718 -12.32018 
8.095016 
1 1 1 -15 -21 5  o 53.22517 2.600963  606.4968       57.28362 542.8617       
85.73186 657.8206       76.99339 50.63252 4.033051 55.81781 3.285502 -5.185284 
5.201925 
1 1 1 -15 -21 6  o 70.35796 2.321045  1058.627       65.71647 999.3958       
108.1582 1093.290       82.74066 68.70990 3.749394 72.00601 2.736978 -3.296112 
4.642091 
1 1 1 -15 -21 7  o 22.16777 4.280582  104.4816       44.46517 168.5520       
63.91619 44.39201       61.89881 27.54005 5.718832 16.79548 6.370909 10.74456 
8.561164 
1 1 1 -15 -21 8  o 58.20493 2.851395  701.1487       68.13396 523.0764       
89.35693 948.4703       105.3079 49.56031 4.294527 66.84956 3.752179 -17.28925 
5.702789 
1 1 1 -15 -21 9  o 81.35336 3.146603  1417.179       95.75879 1409.035       
182.4493 1420.275       112.4994 80.85629 5.374640 81.85043 3.273786 
-0.9941406     6.293205 
1 1 1 -15 -21 10 o 59.96138 2.843308  768.8335       70.31859 763.5656       
109.9666 772.4777       91.46188 59.68829 4.388265 60.23447 3.616730 
-0.5461769     5.686616 
1 1 1 -15 -21 11 o 24.36768 5.400345  132.4631       60.26519 146.1795       
96.69729 123.7515       77.06208 25.35101 8.077441 23.38436 7.170065 1.966642 
10.80069 
1 1 1 -15 -21 12 o 38.90733 3.973372  353.2468       59.55288 246.4088       
89.18311 439.2235       80.00367 32.66467 6.733300 45.14998 4.220592 -12.48531 
7.946743 
1 1 1 -15 -21 13 o 19.31614 5.169534  64.56598       56.89649 92.98721       
89.65554 45.40178       73.62089 21.27155 7.740501 17.36072 6.854266 3.910826 
10.33907 
1 1 1 -15 -21 14 o 17.66527 4.658901  25.99168       51.74728 123.1786       
81.01276 -40.99056      67.25576 22.99771 7.400044 12.33283 5.662224 10.66489 
9.317802 
1 1 1 -15 -21 15 o 34.47933 4.082876  252.7672       55.92434 350.0184       
95.85857 202.5875       68.85693 39.37962 5.798030 29.57904 5.749988 9.800587 
8.165752 
1 1 1 -15 -21 16 o 27.41123 4.887559  189.2451       57.24862 137.9046       
88.28368 226.4996       75.20375 23.76755 7.731381 31.05490 5.981528 -7.287350 
9.775118 
1 1 1 -15 -21 17 o 24.73017 5.270411  149.9293       61.57757 210.1873       
90.00748 96.91067       84.42775 28.85184 7.396297 20.60850 7.510240 8.243341 
10.54082 
1 1 1 -15 -21 18 o 26.02736 5.496434  177.1096       65.32243 226.0629       
97.88210 137.8003       87.71210 29.07419 7.839380 22.98052 7.706313 6.093664 
10.99287 
1 1 1 -15 -21 19 o 22.83974 5.450079  132.2110       65.76551 207.9472       
97.13246 68.10314       89.36523 27.34900 7.972991 18.33047 7.432688 9.018522 
10.90016 
1 1 1 -15 -20 1  o 198.0260 4.495962  8322.146       371.2393 8363.257       
559.0491 8289.716       496.5191 198.3338 6.713891 197.7182 5.981503 0.6156006 
8.991924 
1 1 1 -15 -20 2  o 137.8168 3.256063  3941.373       180.4362 4257.846       
307.5586 3775.281       222.8091 141.8464 5.164529 133.7872 3.966792 8.059143 
6.512127 
1 1 1 -15 -20 3  o 139.8798 2.574266  4166.566       148.6574 3876.541       
227.5436 4382.534       196.3543 135.5263 3.999100 144.2333 3.242620 -8.707001 
5.148532 
1 1 1 -15 -20 4  o 69.51186 2.390922  1022.401       69.05729 992.3353       
104.6274 1045.609       91.92459 68.57933 3.633901 70.44438 3.108182 -1.865051 
4.781844 
1 1 1 -15 -20 5  o 109.0626 2.659012  2542.188       113.0776 2431.786       
199.1024 2594.754       137.3847 107.1620 4.425444 110.9632 2.949039 -3.801216 
5.318025 
1 1 1 -15 -20 6  o 89.75066 2.494261  1723.960       87.88010 1637.645       
152.4975 1766.877       107.5305 87.94092 4.130406 91.56040 2.797338 -3.619484 
4.988522 
1 1 1 -15 -20 7  o 18.10929 4.427080  45.99961       48.52808 -39.63328      
72.18893 116.6034       65.54874 13.24429 6.009270 22.97430 6.502678 -9.730015 
8.854159 
1 1 1 -15 -20 8  o 25.22100 3.887329  122.6816       46.06052 267.1634       
71.73077 21.30742       60.08452 35.40482 4.825743 15.03718 6.095697 20.36764 
7.774659 
1 1 1 -15 -20 9  o 73.26154 2.375180  1132.262       71.48998 1156.136       
113.9719 1116.776       91.79382 73.83413 3.676730 72.68894 3.007919 1.145187 
4.750360 
1 1 1 -15 -20 10 o 41.92361 3.747491  382.4764       64.80804 351.8495       
98.90511 405.5206       85.79212 40.32510 5.842037 43.52211 4.695248 -3.197006 
7.494982 
1 1 1 -15 -20 11 f 61.99942 2.959297  806.2401       74.06307 879.1069       
125.2577 767.0698       91.83699 63.97403 4.663606 60.02480 3.644248 3.949230 
5.918594 
1 1 1 -15 -20 12 o 22.60246 5.387413  105.8440       55.68848 119.2214       
108.1661 101.0193       64.95913 23.90997 8.521579 21.29495 6.593904 2.615025 
10.77483 
1 1 1 -15 -20 13 o 49.35988 3.528977  551.1895       66.97080 472.4552       
116.4883 590.0615       81.85003 46.23180 6.001540 52.48796 3.714327 -6.256165 
7.057953 
1 1 1 -15 -20 14 o 18.43601 5.113916  53.30881       58.66677 14.82655       
95.17065 76.89424       74.50659 17.34277 7.399153 19.52925 7.061238 -2.186483 
10.22783 
1 1 1 -15 -20 15 o 20.39845 5.368882  81.78001       63.28728 40.51875       
96.82029 112.5616       83.62587 18.53954 7.660222 22.25737 7.524666 -3.717823 
10.73776 
1 1 1 -15 -20 16 o 35.46571 4.869345  325.8086       69.79939 155.6655       
104.9429 460.7901       93.47234 25.28340 8.429337 45.64802 4.877331 -20.36461 
9.738689 
1 1 1 -15 -20 17 o 20.22727 5.588125  79.47264       68.13785 74.11675       
106.5224 83.18166       88.64494 20.35645 8.172139 20.09810 7.623956 0.2583485 
11.17625 
1 1 1 -15 -20 18 o 29.14034 5.092504  198.4022       65.50679 339.0822       
103.1141 103.2056       84.82278 37.26642 6.846482 21.01425 7.540560 16.25217 
10.18501 
1 1 1 -15 -20 19 o 16.57854 5.081793  17.94394       67.37691 -30.05960      
101.1463 56.23632       90.33783 15.15720 6.952598 17.99988 7.413492 -2.842679 
10.16359 
1 1 1 -15 -19 1  o 57.06774 3.302562  691.5433       78.54500 727.1121       
106.6055 649.3071       116.1684 58.70576 4.325337 55.42972 4.991905 3.276043 
6.605124 
1 1 1 -15 -19 2  o 147.1327 3.679995  4579.436       226.7514 4561.988       
332.2587 4594.646       310.2239 146.8307 5.389900 147.4348 5.011830 
-0.6040955     7.359991 
1 1 1 -15 -19 3  o 85.08369 2.599705  1529.370       92.63334 1437.101       
132.8246 1616.747       129.2549 82.56458 3.831827 87.60279 3.514392 -5.038208 
5.199409 
1 1 1 -15 -19 4  o 111.1412 2.639719  2598.875       113.4232 2618.920       
205.6333 2590.110       135.9792 111.3532 4.398574 110.9292 2.919764 0.4239807 
5.279439 
1 1 1 -15 -19 5  o 17.44582 4.404032  16.05466       49.46405 117.8535       
72.90419 -70.77998      67.33295 23.33073 6.938315 11.56090 5.426026 11.76983 
8.808064 
1 1 1 -15 -19 6  o 115.6091 2.427017  2835.773       117.0002 2648.020       
172.2010 2996.771       159.4591 111.9943 3.662357 119.2239 3.185717 -7.229568 
4.854034 
1 1 1 -15 -19 7  o 30.94133 4.027120  205.1772       50.88271 251.7528       
76.22227 167.7372       68.33942 34.39386 5.278639 27.48880 6.083317 6.905060 
8.054240 
1 1 1 -15 -19 8  o 68.33607 2.530448  987.3027       72.37206 886.6315       
101.0268 1093.425       103.7257 64.73859 3.717016 71.93354 3.434597 -7.194946 
5.060895 
1 1 1 -15 -19 9  o 55.60521 2.634203  650.9122       59.46692 670.2438       
98.04261 639.6609       74.79627 56.19428 4.155697 55.01613 3.238254 1.178146 
5.268406 
1 1 1 -15 -19 10 o 56.46511 2.399119  676.8812       56.56622 593.4403       
79.64964 761.7924       80.34837 52.91638 3.585211 60.01384 3.188943 -7.097458 
4.798239 
1 1 1 -15 -19 11 o 35.20762 4.395121  259.2236       62.01129 377.7921       
100.0017 185.1459       79.04353 41.82480 5.695010 28.59044 6.695910 13.23436 
8.790241 
1 1 1 -15 -19 12 o 35.69125 4.292700  285.6427       61.18444 262.7213       
95.28092 301.7269       79.81474 33.97847 6.919270 37.40404 5.082597 -3.425568 
8.585400 
1 1 1 -15 -19 13 o 27.64493 5.427485  184.1063       66.92315 124.5167       
107.4626 221.8577       85.53410 24.19979 8.506955 31.09007 6.742557 -6.890278 
10.85497 
1 1 1 -15 -19 14 o 40.68486 4.273365  365.6181       72.45308 370.7613       
109.5081 361.6139       96.62513 40.81620 6.390501 40.55352 5.675218 0.2626724 
8.546731 
1 1 1 -15 -19 15 o 17.41744 5.255297  16.42099       66.46420 11.55066       
107.3945 19.44438       84.61537 18.09051 7.792980 16.74437 7.052804 1.346140 
10.51059 
1 1 1 -15 -19 16 o 15.76744 4.886884  -42.16556      64.30331 58.73191       
101.2079 -110.4684      83.27100 19.69506 7.941159 11.83982 5.697765 7.855235 
9.773767 
1 1 1 -15 -19 17 o 35.97008 4.949223  317.9208       70.98965 249.8815       
110.6625 365.4998       92.53978 31.55652 8.257603 40.38364 5.458133 -8.827112 
9.898445 
1 1 1 -15 -19 18 o 66.73622 3.559396  955.2060       93.53222 1120.256       
168.6381 881.8762       112.4057 70.11471 5.728852 63.35773 4.225807 6.756977 
7.118792 
1 1 1 -15 -19 19 o 28.87327 5.803871  223.5281       74.39390 187.9038       
117.7695 247.1820       95.96482 26.49760 8.929626 31.24894 7.416298 -4.751345 
11.60774 
1 1 1 -15 -19 20 o 22.75075 5.885550  136.5705       73.21095 137.1126       
109.7106 136.1353       98.29869 22.79572 8.521544 22.70578 8.120472 
0.8993912E-01  11.77110 
1 1 1 -15 -18 1  o 62.94444 3.420368  864.3340       87.43578 1028.750       
118.0677 664.6570       130.1138 69.85157 4.026022 56.03730 5.530536 13.81427 
6.840737 
1 1 1 -15 -18 2  o 194.0152 4.202960  7951.725       340.3793 8204.301       
512.8321 7752.843       455.0665 196.6763 6.210752 191.3540 5.664457 5.322296 
8.405921 
1 1 1 -15 -18 3  o 130.1557 2.664384  3556.486       138.0114 3611.815       
237.2326 3528.180       169.6798 130.8395 4.318736 129.4720 3.121586 1.367493 
5.328769 
1 1 1 -15 -18 4  o 27.67252 4.709319  168.1952       53.35078 174.1846       
83.90073 164.1295       69.12620 28.06446 7.109379 27.28057 6.177982 0.7838936 
9.418638 
1 1 1 -15 -18 5  o 121.3915 2.723047  3138.498       124.8129 3035.639       
233.1151 3179.834       147.7792 119.8603 4.632506 122.9227 2.863533 -3.062370 
5.446094 
1 1 1 -15 -18 6  o 119.0167 2.489192  3001.906       122.8982 2878.692       
186.7083 3096.106       163.2523 116.8067 3.807298 121.2267 3.207614 -4.419998 
4.978384 
1 1 1 -15 -18 7  o 40.52586 3.297810  345.4520       55.56345 364.4987       
85.63596 331.6036       73.02037 41.46367 4.919370 39.58804 4.393404 1.875633 
6.595619 
1 1 1 -15 -18 8  o 46.21549 3.153315  450.1037       60.38860 468.2894       
94.02493 437.3351       78.78636 46.97407 4.767667 45.45691 4.128309 1.517155 
6.306630 
1 1 1 -15 -18 9  o 69.84149 2.497709  988.5960       70.82939 1198.084       
120.0359 876.6943       87.73034 75.24612 3.799691 64.43686 3.242922 10.80926 
4.995417 
1 1 1 -15 -18 10 o 44.61841 3.249886  420.4129       58.62352 434.9878       
97.70699 412.2149       73.27893 45.14196 5.155447 44.09486 3.958332 1.047104 
6.499771 
1 1 1 -15 -18 11 o 52.92595 2.514527  593.4801       55.52764 509.3407       
77.12350 684.0401       80.01202 49.00386 3.748672 56.84804 3.352438 -7.844173 
5.029054 
1 1 1 -15 -18 12 o 38.27189 3.477893  306.2950       54.76936 407.5560       
84.36831 232.5393       72.00399 43.65456 4.603316 32.88922 5.214636 10.76534 
6.955785 
1 1 1 -15 -18 13 o 47.08808 3.578332  468.5524       69.17517 523.2443       
112.3784 435.1866       87.77534 49.15758 5.445196 45.01859 4.644102 4.138996 
7.156664 
1 1 1 -15 -18 14 o 18.30114 5.347529  30.64932       64.33875 42.92910       
108.0838 23.91006       80.07034 19.80160 8.124428 16.80068 6.955424 3.000925 
10.69506 
1 1 1 -15 -18 15 o 81.08081 3.234943  1418.064       103.0188 1437.106       
181.1148 1408.957       125.2549 81.04833 5.322687 81.11329 3.678103 
-0.6495667E-01 6.469887 
1 1 1 -15 -18 16 o 43.99807 4.114047  435.9223       74.22633 397.5964       
114.6409 463.5863       97.39809 42.00722 6.500347 45.98891 5.044502 -3.981693 
8.228093 
1 1 1 -15 -18 17 o 35.81693 5.173861  280.6884       76.62280 481.0881       
124.5546 158.6741       97.18884 45.98658 6.451335 25.64727 8.090465 20.33931 
10.34772 
1 1 1 -15 -18 18 o 23.47062 5.877848  111.0247       74.55331 201.9406       
117.4752 49.71499       96.46970 28.16425 8.895906 18.77700 7.684999 9.387253 
11.75570 
1 1 1 -15 -18 19 o 46.78578 4.361451  504.3833       85.20248 521.6768       
128.0141 490.6301       114.1613 47.30552 6.445652 46.26604 5.877295 1.039478 
8.722902 
1 1 1 -15 -18 20 o 14.62264 4.873724  -90.93533      78.47308 -33.54388      
115.2825 -140.4890      107.1217 16.27382 7.447111 12.97146 6.289139 3.302361 
9.747447 
1 1 1 -15 -18 21 o 16.25988 5.279373  -31.28113      84.43091 24.92146       
111.5925 -106.5295      129.1235 17.57323 7.751985 14.94653 7.168951 2.626707 
10.55875 
1 1 1 -15 -17 1  o 64.34722 3.383930  872.6125       91.23721 798.9549       
126.0423 953.6898       132.2384 61.49302 4.882156 67.20142 4.687055 -5.708408 
6.767860 
1 1 1 -15 -17 2  o 70.37648 3.231827  1024.666       94.40581 909.6924       
122.7513 1191.135       147.7052 65.65115 4.453536 75.10181 4.684534 -9.450661 
6.463655 
1 1 1 -15 -17 3  o 180.5580 3.112210  6942.900       227.4886 6631.644       
370.5196 7131.222       288.2055 177.1478 4.981915 183.9682 3.731476 -6.820328 
6.224419 
1 1 1 -15 -17 4  o 59.82934 2.928482  773.3757       71.57841 653.0941       
109.2229 863.9197       94.76415 55.61381 4.677915 64.04487 3.524365 -8.431057 
5.856965 
1 1 1 -15 -17 5  o 58.24516 2.717960  743.3741       63.70799 528.0837       
93.48838 930.0292       87.04926 50.01867 4.451912 66.47165 3.119247 -16.45298 
5.435919 
1 1 1 -15 -17 6  o 46.64420 3.116692  439.6780       59.34207 545.7378       
99.14942 380.4799       74.07441 50.82415 4.646662 42.46424 4.154951 8.359909 
6.233384 
1 1 1 -15 -17 7  o 134.9011 2.837536  3801.251       145.5042 3935.466       
273.3631 3748.194       171.8747 136.3920 4.773884 133.4102 3.068627 2.981857 
5.675072 
1 1 1 -15 -17 8  o 19.76233 4.980632  61.16743       53.48749 114.7057       
82.98139 23.11323       69.96003 23.34480 7.487179 16.17985 6.570306 7.164953 
9.961264 
1 1 1 -15 -17 9  o 34.58234 4.124719  258.3889       58.55952 278.0421       
84.52863 240.2517       81.20280 36.12729 5.573007 33.03740 6.082337 3.089882 
8.249438 
1 1 1 -15 -17 10 o 37.29520 3.766081  309.5652       55.25286 258.8101       
86.06554 345.1498       72.06427 34.24282 6.215688 40.34758 4.254256 -6.104759 
7.532162 
1 1 1 -15 -17 11 o 18.22904 4.684213  38.57563       49.67160 112.3270       
77.64314 -12.52086      64.62695 22.85373 7.233564 13.60435 5.953399 9.249379 
9.368426 
1 1 1 -15 -17 12 o 19.83927 4.340474  78.00569       44.77942 14.16479       
65.00672 135.6519       61.77233 15.06845 6.254449 24.61009 6.020028 -9.541638 
8.680948 
1 1 1 -15 -17 13 o 81.45280 2.662921  1404.386       85.81898 1428.425       
149.1909 1392.499       104.9142 81.80277 4.344057 81.10283 3.081195 0.6999435 
5.325842 
1 1 1 -15 -17 14 o 28.56078 5.517460  189.7832       67.46960 176.1452       
107.0953 198.7581       86.87836 27.70103 8.444283 29.42052 7.103770 -1.719484 
11.03492 
1 1 1 -15 -17 15 o 31.14417 5.658669  197.5638       75.38769 363.4210       
129.0965 111.7355       92.86718 39.39693 8.082949 22.89141 7.921368 16.50552 
11.31734 
1 1 1 -15 -17 16 o 25.86817 5.558217  161.4858       75.59368 14.49734       
128.5656 239.1534       93.45509 19.75415 8.518301 31.98220 7.142383 -12.22805 
11.11643 
1 1 1 -15 -17 17 o 54.93435 4.005599  687.6780       86.46916 610.1420       
145.6484 729.8816       107.4554 51.89595 6.684875 57.97276 4.414946 -6.076813 
8.011198 
1 1 1 -15 -17 18 o 29.42608 5.938721  221.1271       79.20506 159.2114       
124.5834 263.1299       102.6122 25.88268 9.153378 32.96948 7.568967 -7.086800 
11.87744 
1 1 1 -15 -17 19 o 62.94102 6.589678  917.2364       174.1313 917.2364       
174.1313 0.000000       0.000000 62.94102 6.589678 ?        ?        ? ? 
1 1 1 -15 -17 20 o 54.00434 8.634373  737.3640       195.7665 0.000000       
0.000000 737.3640       195.7665 ?        ?        54.00434 8.634373 ? ? 
1 1 1 -15 -17 21 o 28.21899 6.305526  213.7960       82.97531 268.1209       
129.6153 176.0740       108.0075 30.82152 9.268763 25.61646 8.551532 5.205059 
12.61105 
1 1 1 -15 -17 22 o 27.42861 6.207547  218.7661       80.53997 221.0699       
122.0077 216.9868       107.2210 27.27137 9.088881 27.58584 8.457352 
-0.3144703     12.41509 
1 1 1 -15 -16 1  o 119.5084 3.046882  2994.762       151.5977 2883.802       
200.2366 3143.777       232.0466 116.9594 4.077832 122.0573 4.528272 -5.097878 
6.093764 
1 1 1 -15 -16 2  o 96.58411 3.155232  1968.561       127.9379 1950.395       
179.9930 1987.110       181.8848 96.13409 4.459635 97.03413 4.464706 
-0.9000397     6.310463 
1 1 1 -15 -16 3  o 156.1029 3.281981  5190.879       201.9174 5012.095       
349.2893 5280.611       247.4541 153.9024 5.405813 158.3035 3.723275 -4.401138 
6.563961 
1 1 1 -15 -16 4  o 110.5321 2.839238  2596.490       127.4082 2492.389       
206.3920 2660.585       161.9489 108.6629 4.524106 112.4013 3.431844 -3.738472 
5.678476 
1 1 1 -15 -16 5  o 61.67173 2.747734  783.5952       67.51060 858.2213       
117.7678 747.0686       82.39237 63.77430 4.398474 59.56915 3.294478 4.205147 
5.495467 
1 1 1 -15 -16 6  o 77.94027 2.491471  1287.889       78.49795 1248.056       
128.8324 1311.408       98.99638 76.93810 3.988454 78.94244 2.986963 -2.004349 
4.982942 
1 1 1 -15 -16 7  o 80.06216 2.388322  1356.327       77.46014 1325.996       
126.7923 1374.388       97.84135 79.30829 3.807987 80.81604 2.883672 -1.507751 
4.776645 
1 1 1 -15 -16 8  o 143.4456 3.145069  4326.045       166.4323 4394.768       
326.4808 4301.915       193.4569 143.9861 5.400800 142.9050 3.224468 1.081161 
6.290138 
1 1 1 -15 -16 9  o 102.4735 2.589743  2220.939       108.9472 2192.855       
172.6500 2239.522       140.4394 101.8753 4.036627 103.0718 3.245415 -1.196449 
5.179486 
1 1 1 -15 -16 10 o 16.64183 4.492151  7.390607       48.89246 95.95232       
75.75439 -55.83764      64.00890 21.60532 7.161777 11.67833 5.424632 9.926989 
8.984302 
1 1 1 -15 -16 11 o 65.62210 2.560576  902.5179       67.99265 940.3810       
113.3181 881.2181       84.99206 66.62847 4.050985 64.61572 3.133006 2.012749 
5.121153 
1 1 1 -15 -16 12 o 59.93727 2.682396  773.7598       66.22957 619.7559       
95.48666 916.5344       91.93952 54.03026 4.209463 65.84428 3.325870 -11.81401 
5.364791 
1 1 1 -15 -16 13 o 26.68506 4.758402  162.4436       54.04818 123.5774       
78.96511 196.7002       74.13469 23.70205 7.256137 29.66808 6.157761 -5.966030 
9.516804 
1 1 1 -15 -16 14 o 46.30421 3.193677  430.2391       59.57557 563.1483       
103.6966 364.7554       72.78699 51.25428 4.818985 41.35413 4.192335 9.900150 
6.387353 
1 1 1 -15 -16 15 o 30.28551 5.436532  215.8935       70.00502 252.9641       
94.67873 171.1838       103.9774 33.26001 7.000702 27.31100 8.319475 5.949015 
10.87306 
1 1 1 -15 -16 16 o 65.68143 4.539827  929.9807       106.8595 1003.473       
220.3066 907.3704       122.1969 66.46980 7.894493 64.89306 4.485210 1.576736 
9.079655 
1 1 1 -15 -16 17 o 21.70907 6.286984  62.76638       91.60541 29.09551       
141.1743 87.25375       120.3925 21.02276 8.991791 22.39537 8.789333 -1.372606 
12.57397 
1 1 1 -15 -16 18 o 34.95989 10.35294  317.1778       162.5524 0.000000       
0.000000 317.1778       162.5524 ?        ?        34.95989 10.35294 ? ? 
1 1 1 -15 -16 19 o 66.15128 3.758344  937.4730       100.6198 1111.940       
171.3238 845.6064       124.3196 70.31482 5.803525 61.98773 4.776996 8.327087 
7.516687 
1 1 1 -15 -16 20 o 18.32701 5.614097  16.44149       79.70213 41.84462       
118.0402 -4.844669      108.0525 19.54294 8.285565 17.11108 7.577713 2.431862 
11.22819 
1 1 1 -15 -16 21 o 25.99279 6.479648  176.4555       86.25589 155.8867       
151.7784 186.2674       104.8295 25.20773 9.873691 26.77786 8.393664 -1.570131 
12.95930 
1 1 1 -15 -16 22 o 27.12230 6.618315  199.2227       93.97238 297.9666       
143.1823 124.5045       124.5511 31.67875 9.785702 22.56585 8.913384 9.112904 
13.23663 
1 1 1 -15 -16 23 o 23.17586 6.357701  141.9164       89.84501 89.73446       
121.4133 205.0765       133.5758 20.38401 8.509553 25.96771 9.448224 -5.583702 
12.71540 
1 1 1 -15 -15 1  o 176.7744 4.535856  6641.702       334.3622 6437.249       
498.3459 6809.093       450.9218 174.1859 6.814577 179.3628 5.988113 -5.176849 
9.071712 
1 1 1 -15 -15 2  o 57.68329 3.581748  713.7119       84.49055 757.6397       
109.8811 650.1713       132.1535 59.93504 4.366799 55.43154 5.678620 4.503494 
7.163496 
1 1 1 -15 -15 3  o 16.14132 4.620378  15.54682       51.25329 -35.14305      
77.87655 54.27944       68.07451 14.13969 6.336234 18.14296 6.726343 -4.003272 
9.240755 
1 1 1 -15 -15 4  o 27.16181 4.918944  155.8617       56.68727 216.8454       
88.18771 112.9204       74.00118 31.33147 6.890822 22.99216 7.021438 8.339312 
9.837888 
1 1 1 -15 -15 5  o 93.59152 2.679507  1849.059       101.0840 1834.712       
168.0458 1857.193       126.5364 93.25494 4.292171 93.92811 3.208787 
-0.6731644     5.359015 
1 1 1 -15 -15 6  o 72.28430 2.533166  1044.656       74.31194 1325.513       
126.5084 896.6927       91.82343 79.30945 3.799404 65.25915 3.351453 14.05030 
5.066331 
1 1 1 -15 -15 7  o 39.33909 3.982905  352.4265       59.71510 261.5739       
95.09425 411.5775       76.73017 34.50261 6.807187 44.17556 4.137187 -9.672947 
7.965809 
1 1 1 -15 -15 8  o 126.8966 2.667348  3465.132       135.9291 3136.325       
222.0148 3662.291       171.9179 121.8955 4.338257 131.8978 3.104594 -10.00223 
5.334696 
1 1 1 -15 -15 9  o 54.77509 2.884621  617.9340       64.36107 695.6729       
107.1130 574.0072       80.51715 57.37688 4.446581 52.17330 3.675879 5.203575 
5.769243 
1 1 1 -15 -15 10 o 90.92220 2.854296  1755.786       103.2963 1717.918       
175.7903 1775.757       127.6612 90.07276 4.648603 91.77164 3.313383 -1.698883 
5.708592 
1 1 1 -15 -15 11 o 25.59879 4.814720  132.8899       55.13974 224.3997       
86.30053 69.76288       71.67826 31.77672 6.680281 19.42087 6.935412 12.35585 
9.629439 
1 1 1 -15 -15 12 o 54.73952 2.939736  646.2881       65.90910 575.8633       
101.8201 697.0785       86.46909 52.06026 4.658521 57.41878 3.586972 -5.358521 
5.879472 
1 1 1 -15 -15 13 o 168.5322 2.441544  5998.646       160.3174 5981.649       
193.4731 6035.887       286.3840 168.3940 2.736624 168.6704 4.044185 
-0.2764435     4.883088 
1 1 1 -15 -15 14 o 80.26202 3.224478  1377.022       105.5387 1361.336       
170.2451 1386.813       134.5018 79.73480 5.085667 80.78925 3.965479 -1.054451 
6.448956 
1 1 1 -15 -15 15 o 80.46570 3.857858  1392.847       129.9040 1450.263       
193.0407 1345.327       175.6169 81.91218 5.613341 79.01923 5.293644 2.892952 
7.715715 
1 1 1 -15 -15 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -15 17 o 76.29819 4.139115  1157.823       109.5878 1509.688       
247.0103 1071.592       122.2809 81.96513 7.178059 70.63125 4.123660 11.33388 
8.278230 
1 1 1 -15 -15 18 o 39.14298 5.874975  367.0254       85.80737 353.1439       
164.0338 372.2550       100.6814 37.29458 10.18996 40.99138 5.850294 -3.696800 
11.74995 
1 1 1 -15 -15 19 o 33.53731 5.241628  240.7540       77.15373 453.5429       
124.5340 108.2022       98.28933 44.65350 6.642835 22.42112 8.109957 22.23239 
10.48326 
1 1 1 -15 -15 20 f 20.67052 6.097660  56.11919       88.27568 33.52370       
134.0207 73.43440       117.3208 20.26299 8.716952 21.07805 8.528809 
-0.8150654     12.19532 
1 1 1 -15 -15 21 o 76.26038 4.147602  1344.615       128.7537 1241.070       
203.0266 1414.273       166.5223 72.91679 6.632028 79.60395 4.982633 -6.687157 
8.295204 
1 1 1 -15 -15 22 o 29.83073 6.782290  239.7691       98.18078 328.1507       
148.3828 170.9411       130.9438 34.08941 9.827534 25.57206 9.349729 8.517347 
13.56458 
1 1 1 -15 -15 23 o 34.25802 6.382852  355.6239       100.0616 220.4016       
153.2824 456.0372       132.0881 26.89881 10.06916 41.61723 7.846991 -14.71842 
12.76570 
1 1 1 -15 -14 1  o 27.09607 5.664889  160.6363       70.31236 193.7931       
92.42548 115.0854       108.3313 29.63922 7.434017 24.55293 8.549811 5.086292 
11.32978 
1 1 1 -15 -14 2  o 177.7468 3.894063  6568.639       283.5957 6210.054       
359.3010 7161.187       461.8751 171.5235 4.989486 183.9700 5.979963 -12.44652 
7.788127 
1 1 1 -15 -14 3  o 65.05377 2.635786  904.6904       70.03812 828.6151       
110.1337 956.3475       90.75344 62.69477 4.184175 67.41277 3.206579 -4.718002 
5.271572 
1 1 1 -15 -14 4  o 95.37353 2.697807  1893.231       107.2247 1612.539       
143.5890 2247.060       161.2139 87.47105 3.910009 103.2760 3.718127 -15.80495 
5.395613 
1 1 1 -15 -14 5  o 83.83286 2.823210  1470.083       93.60638 1516.353       
163.5496 1447.542       114.1521 84.74690 4.596706 82.91882 3.279078 1.828079 
5.646420 
1 1 1 -15 -14 6  o 53.99049 2.836969  564.4919       61.45549 806.8320       
108.0252 448.5279       74.72638 61.85043 4.160096 46.13056 3.858391 15.71986 
5.673938 
1 1 1 -15 -14 7  o 67.15813 2.675117  964.5885       70.73546 908.6926       
121.8110 993.0270       86.88594 65.62114 4.421439 68.69513 3.012622 -3.073990 
5.350235 
1 1 1 -15 -14 8  o 38.26332 3.655205  293.8093       57.16556 388.9872       
94.71503 239.2713       71.69690 42.88418 5.260692 33.64246 5.076140 9.241714 
7.310409 
1 1 1 -15 -14 9  o 47.06953 3.097615  461.3849       60.78701 527.0778       
92.74390 411.9106       80.48518 49.96455 4.421244 44.17450 4.339756 5.790047 
6.195230 
1 1 1 -15 -14 10 o 77.90807 2.921566  1280.426       91.21942 1285.382       
154.0283 1277.748       113.2074 77.95691 4.706162 77.85921 3.463267 
0.9769440E-01  5.843132 
1 1 1 -15 -14 11 o 81.36449 2.805560  1403.535       92.65321 1379.415       
151.1148 1418.065       117.2854 80.73366 4.458342 81.99532 3.407029 -1.261665 
5.611119 
1 1 1 -15 -14 12 o 144.2278 4.130949  4378.554       220.1362 4571.676       
432.9787 4311.231       255.6431 145.7857 7.074127 142.6700 4.267983 3.115692 
8.261897 
1 1 1 -15 -14 13 o 154.4632 4.172452  5118.835       264.9559 5055.455       
417.7914 5161.474       342.6818 153.3447 6.489507 155.5817 5.246306 -2.236969 
8.344904 
1 1 1 -15 -14 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -14 15 o 24.58524 7.960902  131.0779       93.65087 0.000000       
0.000000 131.0779       93.65087 ?        ?        24.58524 7.960902 ? ? 
1 1 1 -15 -14 16 o 71.32641 3.571828  1100.741       103.1872 1070.905       
168.4129 1118.673       130.5649 70.30728 5.705534 72.34554 4.298687 -2.038254 
7.143656 
1 1 1 -15 -14 17 o 59.83014 3.554703  749.9442       87.26744 889.4423       
142.9961 667.1558       110.1601 64.01936 5.320273 55.64091 4.715756 8.378456 
7.109406 
1 1 1 -15 -14 18 o 44.73936 5.500401  437.7352       94.06435 533.5379       
171.8535 396.7561       112.3958 47.19889 8.995773 42.27982 6.331960 4.919071 
11.00080 
1 1 1 -15 -14 19 o 22.81956 6.364383  84.93776       88.25200 131.2182       
142.4817 56.13070       112.4112 25.25051 9.640140 20.38860 8.311992 4.861910 
12.72877 
1 1 1 -15 -14 20 o 42.00000 4.903724  410.0361       84.52995 429.8383       
118.9805 389.8547       120.1143 43.45951 6.520968 40.54050 7.325504 2.919010 
9.807448 
1 1 1 -15 -14 21 o 34.88902 5.822200  317.5603       93.96008 136.3471       
138.7716 470.9625       127.6796 24.70684 9.490164 45.07121 6.747505 -20.36437 
11.64440 
1 1 1 -15 -14 22 o 21.55483 6.366252  74.07115       96.14285 86.06317       
138.4799 62.91190       133.5852 22.12018 9.151718 20.98949 8.852271 1.130690 
12.73250 
1 1 1 -15 -14 23 o 23.34614 6.271523  133.5918       84.38016 121.7538       
112.4308 148.8592       127.6819 22.52615 8.574066 24.16612 9.154967 -1.639973 
12.54305 
1 1 1 -15 -14 24 o 30.84063 6.658638  286.4782       93.86176 285.0441       
126.8977 288.2106       139.4728 31.09502 9.128542 30.58624 9.696370 0.5087852 
13.31728 
1 1 1 -15 -13 1  o 166.0761 4.580104  5830.650       319.2645 5674.694       
445.8991 5994.708       457.3343 163.7972 6.484121 168.3551 6.470363 -4.557846 
9.160209 
1 1 1 -15 -13 2  o 138.0629 3.349629  3970.832       187.1994 3843.921       
233.6687 4198.234       312.7873 135.0942 4.119883 141.0316 5.282673 -5.937393 
6.699259 
1 1 1 -15 -13 3  o 67.59056 3.062063  997.3770       80.41613 867.5142       
138.7127 1063.117       98.69341 64.10069 5.154358 71.08044 3.307190 -6.979744 
6.124125 
1 1 1 -15 -13 4  o 105.3158 2.727777  2352.974       118.5567 2241.634       
183.0650 2433.405       155.5938 103.1172 4.228587 107.5144 3.447044 -4.397156 
5.455553 
1 1 1 -15 -13 5  o 52.35732 2.902245  571.9850       62.68186 609.1606       
99.59322 547.5995       80.66138 53.73363 4.414735 50.98101 3.768584 2.752621 
5.804491 
1 1 1 -15 -13 6  o 78.58688 2.761362  1311.942       82.65128 1277.613       
152.4428 1326.234       98.36358 77.78312 4.668127 79.39064 2.951115 -1.607521 
5.522725 
1 1 1 -15 -13 7  o 50.94831 2.940907  536.2770       62.11543 619.2394       
97.77129 480.1287       80.43393 54.17661 4.298536 47.72002 4.014761 6.456589 
5.881813 
1 1 1 -15 -13 8  o 201.5950 4.247900  8766.822       323.4846 8257.220       
598.9607 8976.674       384.3612 196.9448 7.243939 206.2452 4.438915 -9.300323 
8.495800 
1 1 1 -15 -13 9  o 197.1779 4.056056  8144.536       332.8235 7591.737       
437.2378 8906.105       513.2027 189.3826 5.499189 204.9732 5.963661 -15.59056 
8.112111 
1 1 1 -15 -13 10 o 53.61855 3.919279  610.1023       83.67255 605.6867       
142.7937 612.4113       103.2569 53.39215 6.370193 53.84496 4.567673 
-0.4528046     7.838558 
1 1 1 -15 -13 11 o 94.04446 4.063354  1868.844       141.9083 1898.265       
275.2938 1858.197       165.6062 94.29518 6.953893 93.79374 4.205561 0.5014420 
8.126707 
1 1 1 -15 -13 12 o 54.97800 6.322191  645.2872       145.9269 645.2872       
145.9269 0.000000       0.000000 54.97800 6.322191 ?        ?        ? ? 
1 1 1 -15 -13 13 o 40.32216 8.440695  365.9817       138.2805 0.000000       
0.000000 365.9817       138.2805 ?        ?        40.32216 8.440695 ? ? 
1 1 1 -15 -13 14 o 95.08755 3.399646  1937.397       132.2642 1861.705       
209.8770 1987.263       170.3483 93.38165 5.353334 96.79345 4.191918 -3.411797 
6.799291 
1 1 1 -15 -13 15 o 59.19067 3.838914  727.4476       92.06001 838.6596       
155.8656 667.8657       114.0857 62.43740 5.946024 55.94394 4.857348 6.493462 
7.677827 
1 1 1 -15 -13 16 o 29.60481 5.767855  204.6413       73.67403 168.7399       
119.9449 226.3925       93.36163 27.64455 9.011724 31.56506 7.201488 -3.920509 
11.53571 
1 1 1 -15 -13 17 o 59.61704 3.659530  757.7924       88.24524 800.9313       
147.4814 733.7344       110.1364 60.72128 5.785186 58.51280 4.483333 2.208477 
7.319061 
1 1 1 -15 -13 18 o 36.63999 5.297300  312.5561       79.55527 255.6304       
117.4158 360.8684       108.1686 32.83705 8.465292 40.44293 6.370588 -7.605885 
10.59460 
1 1 1 -15 -13 19 o 97.43216 3.643090  2069.706       148.9009 2140.180       
215.9781 2005.864       205.5631 98.97764 5.197491 95.88668 5.106319 3.090958 
7.286179 
1 1 1 -15 -13 20 o 22.43513 6.415002  72.52960       89.09088 122.6614       
153.8213 47.22368       109.2876 25.12872 9.911904 19.74154 8.146358 5.387182 
12.83000 
1 1 1 -15 -13 21 o 43.60558 4.648464  419.4976       81.23293 324.0954       
103.7669 570.5104       130.5529 37.04120 6.929324 50.16996 6.198173 -13.12876 
9.296928 
1 1 1 -15 -13 22 o 69.37412 3.706461  1064.697       106.8448 993.6464       
139.7342 1164.710       165.7868 66.83007 4.980257 71.91817 5.490760 -5.088104 
7.412921 
1 1 1 -15 -13 23 o 17.44933 5.597342  -25.11675      87.82908 -41.35221      
114.8396 -2.238562      136.3233 16.18684 7.417940 18.71182 8.384217 -2.524982 
11.19468 
1 1 1 -15 -13 24 o 24.97332 6.250690  168.5668       86.61185 228.2628       
116.5956 95.06897       129.3740 28.55771 8.832376 21.38893 8.847238 7.168779 
12.50138 
1 1 1 -15 -13 25 o 25.50088 6.277312  169.6898       91.62016 49.93949       
124.0927 313.1948       135.8442 18.90999 8.262586 32.09177 9.452420 -13.18178 
12.55462 
1 1 1 -15 -12 1  o 117.3331 5.399868  2710.546       237.6745 2484.775       
274.5687 3385.384       474.6967 108.4822 6.028559 126.1841 8.960510 -17.70184 
10.79974 
1 1 1 -15 -12 2  o 235.0736 8.246964  11661.18       787.9929 12737.73       
1310.666 11051.77       986.1169 242.8229 12.85652 227.3243 10.33246 15.49861 
16.49393 
1 1 1 -15 -12 3  o 64.29880 3.133789  869.8376       84.18314 858.0568       
113.2308 884.3969       125.8767 63.82386 4.225737 64.77374 4.628789 
-0.9498825     6.267578 
1 1 1 -15 -12 4  o 56.14259 3.325343  673.4300       77.35723 582.7562       
113.4637 752.1839       105.7431 52.53934 5.143912 59.74584 4.215660 -7.206505 
6.650686 
1 1 1 -15 -12 5  o 64.25534 3.194807  866.4485       84.93391 678.6720       
115.5742 1086.933       125.2361 56.70066 4.855053 71.81003 4.153990 -15.10937 
6.389615 
1 1 1 -15 -12 6  o 101.0111 3.671738  2102.415       132.5303 2261.612       
276.4270 2054.900       151.0188 103.2526 6.376768 98.76961 3.641907 4.482979 
7.343477 
1 1 1 -15 -12 7  o 156.4925 5.197431  5007.761       280.6361 5592.501       
619.4734 4856.767       314.7915 161.3850 9.142826 151.6000 4.945895 9.785034 
10.39486 
1 1 1 -15 -12 8  o 192.1615 6.150632  7814.516       436.0645 8116.203       
857.9584 7709.438       506.3425 193.7186 10.54911 190.6044 6.327504 3.114212 
12.30126 
1 1 1 -15 -12 9  o 171.3036 4.967006  6203.562       329.3673 6341.933       
597.2272 6143.082       394.8403 172.2378 8.259089 170.3694 5.520150 1.868362 
9.934012 
1 1 1 -15 -12 10 o 165.2145 9.093409  5862.049       630.7450 5862.049       
630.7450 0.000000       0.000000 165.2145 9.093409 ?        ?        ? ? 
1 1 1 -15 -12 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -12 12 o 156.2369 4.224835  5238.399       265.1727 5023.456       
439.7228 5361.239       332.4185 153.3855 6.828351 159.0884 4.977001 -5.702957 
8.449670 
1 1 1 -15 -12 13 o 21.60618 6.019910  51.13856       76.54953 100.6400       
133.7312 27.01471       93.35703 24.78609 9.375343 18.42626 7.553821 6.359835 
12.03982 
1 1 1 -15 -12 14 o 61.35867 3.575277  780.2101       88.96773 880.8021       
149.7800 725.3701       110.5913 64.24966 5.552699 58.46768 4.505326 5.781986 
7.150555 
1 1 1 -15 -12 15 o 31.75888 4.858275  256.1449       75.68160 -11.25018      
121.8831 423.9360       96.54976 18.94647 8.233454 44.57129 5.159613 -25.62481 
9.716551 
1 1 1 -15 -12 16 f 43.56952 5.112607  443.8272       84.75255 344.5510       
139.3422 502.1192       106.7737 38.72287 8.772829 48.41616 5.252852 -9.693295 
10.22521 
1 1 1 -15 -12 17 o 42.46027 4.729980  404.3799       80.95584 350.9347       
119.6913 449.4474       109.9107 39.32464 7.518281 45.59590 5.741629 -6.271259 
9.459961 
1 1 1 -15 -12 18 o 29.88568 5.655158  216.0849       83.40154 46.16002       
130.4673 333.5077       108.4549 21.46096 8.881241 38.31040 7.003341 -16.84944 
11.31032 
1 1 1 -15 -12 19 f 85.80911 3.430946  1619.113       119.5166 1485.293       
190.4792 1706.008       153.4912 82.46470 5.501747 89.15353 4.100774 -6.688835 
6.861893 
1 1 1 -15 -12 20 o 48.93456 3.635661  522.4466       74.58831 491.4378       
102.4605 557.4058       108.7916 47.39103 5.149692 50.47810 5.133498 -3.087070 
7.271322 
1 1 1 -15 -12 21 o 87.00676 3.320544  1656.838       120.9849 1685.020       
166.2478 1625.109       176.4001 87.93343 4.503217 86.08009 4.881094 1.853333 
6.641088 
1 1 1 -15 -12 22 o 41.03089 4.927044  393.9851       82.35405 386.6665       
109.7960 403.3983       124.5214 41.13525 6.357601 40.92654 7.528876 0.2087135 
9.854089 
1 1 1 -15 -12 23 o 34.44876 5.585921  313.5975       84.35371 423.6580       
112.2821 170.9939       127.8086 42.84473 6.242151 26.05278 9.265290 16.79195 
11.17184 
1 1 1 -15 -12 24 o 36.67547 5.938370  345.3859       88.75806 303.1303       
116.0693 404.8932       137.7401 34.11552 8.194298 39.23542 8.597117 -5.119896 
11.87674 
1 1 1 -15 -12 25 o 39.90956 5.583647  419.2441       91.57134 334.7735       
126.1528 513.3190       133.1317 34.53932 8.698466 45.27980 7.003223 -10.74048 
11.16729 
1 1 1 -15 -11 1  o 173.2143 6.438152  6401.255       461.6751 6196.024       
708.2893 6552.862       608.7679 170.6062 9.888647 175.8223 8.247052 -5.216110 
12.87630 
1 1 1 -15 -11 2  o 179.7892 9.554085  6882.907       721.1599 6882.907       
721.1599 0.000000       0.000000 179.7892 9.554085 ?        ?        ? ? 
1 1 1 -15 -11 3  o 111.8086 4.442830  2585.136       193.9881 2797.510       
351.0409 2491.771       232.7555 114.9127 7.276303 108.7046 5.100034 6.208069 
8.885659 
1 1 1 -15 -11 4  o 28.92491 6.756762  164.5938       92.93140 203.1925       
152.5102 141.7978       117.2037 31.27047 10.16170 26.57935 8.908153 4.691116 
13.51352 
1 1 1 -15 -11 5  o 101.1948 4.154993  2134.369       144.1393 2220.470       
316.0871 2111.763       161.9590 102.2508 7.363109 100.1388 3.852334 2.111992 
8.309985 
1 1 1 -15 -11 6  o 60.66409 4.039993  742.8656       88.70779 850.1267       
184.1111 710.4370       101.2331 63.27334 6.930752 58.05484 4.153416 5.218502 
8.079987 
1 1 1 -15 -11 7  f 18.63741 5.880307  -51.23735      93.51886 -62.00697      
139.0629 -42.34549      126.3593 18.83547 8.453118 18.43936 8.176602 0.3961163 
11.76061 
1 1 1 -15 -11 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -11 10 o 60.08435 5.949713  765.0887       150.0847 0.000000       
0.000000 765.0887       150.0847 ?        ?        60.08435 5.949713 ? ? 
1 1 1 -15 -11 11 o 20.66019 5.401634  43.36743       76.10664 -188.5603      
139.6997 141.2542       90.75720 15.69332 7.510123 25.62707 7.765865 -9.933753 
10.80327 
1 1 1 -15 -11 12 o 88.96989 4.149305  1736.778       130.9355 1572.085       
263.9078 1790.557       150.8054 85.80640 7.325775 92.13338 3.898710 -6.326973 
8.298610 
1 1 1 -15 -11 13 o 58.87492 3.892093  730.1278       93.14899 760.3107       
153.4560 712.5182       117.2134 59.74988 6.117414 57.99996 4.813607 1.749920 
7.784187 
1 1 1 -15 -11 14 o 69.68346 3.725105  1043.736       104.9108 989.9794       
171.0652 1076.143       132.8209 68.09889 5.983328 71.26802 4.439079 -3.169128 
7.450210 
1 1 1 -15 -11 15 o 33.65757 6.043782  251.5888       84.56355 291.1893       
132.8891 224.6410       109.6231 35.77578 8.878245 31.53935 8.202803 4.236429 
12.08756 
1 1 1 -15 -11 16 o 44.82681 4.820475  440.1049       82.97211 441.7785       
143.9516 439.2723       101.5353 44.33098 8.029578 45.32265 5.336084 
-0.9916725     9.640950 
1 1 1 -15 -11 17 o 96.49089 3.165246  1976.557       125.4221 2028.227       
200.3616 1943.265       160.8305 97.37323 4.901127 95.60855 4.006754 1.764679 
6.330492 
1 1 1 -15 -11 18 o 51.69714 4.112230  614.3772       83.10123 456.3542       
133.1516 715.2016       106.3578 45.56250 6.960814 57.83177 4.380501 -12.26927 
8.224460 
1 1 1 -15 -11 19 o 49.26198 3.783711  522.9896       76.82468 399.3053       
104.0793 671.0463       113.8731 42.76574 5.796816 55.75822 4.864444 -12.99248 
7.567423 
1 1 1 -15 -11 20 o 24.48752 5.464642  125.5902       71.48396 221.4163       
98.78682 20.26011       103.5699 30.62963 7.687498 18.34541 7.768631 12.28423 
10.92928 
1 1 1 -15 -11 21 o 56.31654 3.680618  699.9254       86.41151 659.1417       
127.4507 734.6228       117.5567 54.61626 5.558292 58.01682 4.826302 -3.400555 
7.361237 
1 1 1 -15 -11 22 o 28.26586 6.189610  197.7006       82.05297 233.1969       
115.1102 161.0333       116.9936 30.58135 8.604826 25.95038 8.899553 4.630968 
12.37922 
1 1 1 -15 -11 23 o 19.88771 5.644403  36.51203       79.80214 138.3546       
112.2737 -67.47561      113.4500 24.23128 8.677290 15.54414 7.220928 8.687144 
11.28881 
1 1 1 -15 -11 24 o 54.89053 4.377172  689.6951       100.2046 622.1037       
132.7631 779.1708       152.7511 51.88333 6.094956 57.89774 6.284112 -6.014408 
8.754345 
1 1 1 -15 -11 25 o 35.36118 5.638038  322.9264       88.59348 167.0886       
120.2544 507.9056       131.0165 24.98814 8.977197 45.73423 6.823476 -20.74609 
11.27608 
1 1 1 -15 -11 26 o 25.18569 6.612282  188.5889       93.63782 200.6809       
129.6181 175.3902       135.4201 25.87932 9.317887 24.49206 9.384353 1.387255 
13.22456 
1 1 1 -15 -10 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 3  o 109.5291 8.721493  2548.409       401.0507 0.000000       
0.000000 2548.409       401.0507 ?        ?        109.5291 8.721493 ? ? 
1 1 1 -15 -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -10 8  o 136.6952 7.488374  3981.092       429.7538 0.000000       
0.000000 3981.092       429.7538 ?        ?        136.6952 7.488374 ? ? 
1 1 1 -15 -10 9  o 212.0534 7.416949  9773.761       525.8899 9635.944       
1170.053 9808.649       588.7037 209.2005 13.32183 214.9064 6.524819 -5.705978 
14.83390 
1 1 1 -15 -10 10 o 179.1537 5.747975  6865.920       366.3313 6840.270       
753.0946 6873.871       419.2791 178.0947 10.07209 180.2126 5.541650 -2.117920 
11.49595 
1 1 1 -15 -10 11 o 105.5974 3.957591  2384.849       166.7255 2281.235       
280.5931 2441.395       207.2863 103.6600 6.447433 107.5348 4.591373 -3.874809 
7.915182 
1 1 1 -15 -10 12 o 170.4479 5.652023  6040.393       304.5762 6479.971       
745.7503 5952.391       333.6739 173.0527 10.26446 167.8430 4.735218 5.209671 
11.30405 
1 1 1 -15 -10 13 o 125.3063 3.721629  3352.898       193.2516 3146.450       
292.6229 3512.587       257.3587 121.7516 5.724724 128.8609 4.757061 -7.109314 
7.443259 
1 1 1 -15 -10 14 o 125.3694 3.664045  3358.266       191.4198 3097.405       
281.1800 3583.589       261.3260 120.7002 5.548779 130.0387 4.786644 -9.338470 
7.328090 
1 1 1 -15 -10 15 o 42.21735 5.327072  421.4229       86.75462 282.7936       
136.9850 514.2620       112.1014 35.30451 9.163716 49.13018 5.434802 -13.82567 
10.65414 
1 1 1 -15 -10 16 f 59.74265 3.952190  788.6394       94.54025 664.2736       
151.4381 868.0616       121.0195 55.56357 6.491815 63.92172 4.509497 -8.358147 
7.904380 
1 1 1 -15 -10 17 o 57.97348 3.340940  713.1174       81.04401 637.6973       
110.7435 800.0856       118.9199 54.66994 4.824925 61.27702 4.622512 -6.607082 
6.681880 
1 1 1 -15 -10 18 o 35.53878 4.851681  282.7590       70.59753 340.0124       
100.1090 226.1168       99.57311 39.63391 6.016270 31.44365 7.613129 8.190256 
9.703362 
1 1 1 -15 -10 19 o 31.61246 5.308896  231.7736       71.22724 152.2219       
100.1842 313.0845       101.2859 25.99308 8.215691 37.23184 6.726064 -11.23876 
10.61779 
1 1 1 -15 -10 20 o 25.91412 5.657819  148.4163       72.43432 72.40895       
102.5079 224.2156       102.3674 20.93379 8.131757 30.89446 7.868811 -9.960667 
11.31564 
1 1 1 -15 -10 21 o 39.88592 4.717825  356.7634       77.04594 399.8617       
117.4002 324.1595       102.1114 42.23561 6.620808 37.53622 6.722828 4.699394 
9.435651 
1 1 1 -15 -10 22 o 86.97006 3.156318  1652.274       113.1410 1607.268       
176.0983 1683.911       147.6467 85.64611 4.897433 88.29401 3.983029 -2.647903 
6.312636 
1 1 1 -15 -10 23 o 64.52334 3.710436  924.9504       100.4853 900.6144       
140.2327 950.6330       144.0598 63.65132 5.247626 65.39536 5.247072 -1.744045 
7.420872 
1 1 1 -15 -10 24 o 24.24915 6.152819  132.8722       82.91100 69.38438       
114.9959 201.6032       119.6502 20.56293 8.398999 27.93538 8.993639 -7.372450 
12.30564 
1 1 1 -15 -10 25 o 33.13354 6.132423  290.1263       92.17435 167.3841       
127.3298 425.2646       133.6049 25.42792 9.227345 40.83917 8.079763 -15.41125 
12.26485 
1 1 1 -15 -10 26 o 18.23605 5.761360  17.30471       90.26622 17.58598       
123.2066 16.97879       132.6244 18.02110 8.025311 18.45099 8.268460 
-0.4298897     11.52272 
1 1 1 -15 -9  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -9  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -9  3  o 139.9560 6.385970  4135.904       375.2299 0.000000       
0.000000 4135.904       375.2299 ?        ?        139.9560 6.385970 ? ? 
1 1 1 -15 -9  4  o 123.0187 7.580179  3205.912       391.4980 0.000000       
0.000000 3205.912       391.4980 ?        ?        123.0187 7.580179 ? ? 
1 1 1 -15 -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -9  6  o 138.6990 4.528271  4031.073       223.6070 4148.613       
463.7986 3995.479       255.2286 139.7055 7.907459 137.6925 4.415094 2.012970 
9.056542 
1 1 1 -15 -9  7  o 21.31450 6.106713  7.844405       80.15987 119.6913       
150.0804 -36.79840      94.81739 26.80250 9.977221 15.82651 7.044348 10.97599 
12.21343 
1 1 1 -15 -9  8  o 71.59428 3.974871  1126.084       107.9423 984.2121       
194.3913 1189.329       129.7913 68.07777 6.801311 75.11079 4.115893 -7.033028 
7.949742 
1 1 1 -15 -9  9  o 84.49559 3.775128  1560.678       119.0015 1398.015       
221.7913 1626.437       141.0187 81.14260 6.510536 87.84857 3.823518 -6.705971 
7.550256 
1 1 1 -15 -9  10 o 171.0724 6.394830  6319.472       367.8136 6213.073       
813.3904 6346.822       412.3852 169.0249 11.46224 173.1199 5.673839 -4.095047 
12.78966 
1 1 1 -15 -9  11 o 145.1484 3.982351  4363.412       222.4207 4703.317       
412.9382 4224.495       263.9875 148.8118 6.609504 141.4851 4.444201 7.326645 
7.964701 
1 1 1 -15 -9  12 f 30.88419 6.339905  209.0966       80.31224 185.6323       
160.9656 216.8740       92.67122 30.46037 10.43959 31.30800 7.196706 
-0.8476295     12.67981 
1 1 1 -15 -9  13 o 128.8308 4.485404  3550.023       219.9565 3471.458       
406.0154 3582.659       261.6837 127.4775 7.586299 130.1840 4.787845 -2.706451 
8.970808 
1 1 1 -15 -9  14 o 97.38515 3.550725  1967.984       137.7502 2139.650       
239.8715 1883.515       168.2613 100.3601 5.692965 94.41014 4.245087 5.950005 
7.101451 
1 1 1 -15 -9  15 o 158.1814 5.127981  5326.523       296.1676 5481.579       
590.3156 5274.364       342.3763 158.8034 8.854124 157.5594 5.175833 1.243942 
10.25596 
1 1 1 -15 -9  16 o 95.74016 2.842493  1932.724       112.3364 1985.945       
176.7632 1896.666       145.4974 96.76971 4.350843 94.71060 3.659128 2.059113 
5.684985 
1 1 1 -15 -9  17 f 134.4472 3.189462  3845.523       177.1263 3832.195       
276.0085 3854.856       230.9579 134.0933 4.902711 134.8011 4.080943 
-0.7077332     6.378924 
1 1 1 -15 -9  18 o 63.72934 3.233161  867.3671       86.25980 848.8737       
126.0375 883.6622       118.3086 63.04709 4.761631 64.41158 4.374952 -1.364494 
6.466323 
1 1 1 -15 -9  19 o 57.58232 3.554499  717.2556       85.13042 610.8829       
120.9365 821.7359       119.8559 53.21532 5.413048 61.94932 4.608336 -8.733997 
7.108998 
1 1 1 -15 -9  20 o 69.96252 3.107014  1056.636       90.34851 1000.735       
135.5246 1101.355       121.2140 68.16318 4.735756 71.76188 4.023276 -3.598701 
6.214027 
1 1 1 -15 -9  21 o 65.49572 3.259227  927.7568       89.19981 922.3155       
132.4190 932.2769       120.6904 65.22446 4.835718 65.76698 4.371049 
-0.5425262     6.518454 
1 1 1 -15 -9  22 o 79.81630 3.172190  1374.235       105.0096 1433.638       
162.9454 1332.041       137.3304 81.10386 4.785439 78.52874 4.165422 2.575119 
6.344381 
1 1 1 -15 -9  23 o 38.94821 5.001445  356.4199       79.30056 332.3487       
117.4433 376.5913       107.5098 37.09559 7.788875 40.80084 6.276246 -3.705250 
10.00289 
1 1 1 -15 -9  24 o 89.34579 3.339062  1741.395       124.2360 1609.946       
163.5593 1920.670       191.0098 85.55929 4.553329 93.13229 4.885133 -7.573006 
6.678123 
1 1 1 -15 -9  25 o 50.31186 4.585279  592.0719       96.65839 619.6511       
135.2089 563.2454       138.2325 51.70952 6.228103 48.91419 6.731260 2.795334 
9.170558 
1 1 1 -15 -9  26 o 24.63253 6.562972  156.0487       94.64090 107.1379       
134.6479 203.8064       133.0512 22.27020 9.091033 26.99485 9.468026 -4.724642 
13.12594 
1 1 1 -15 -9  27 o 29.72139 6.801299  272.0132       99.94774 345.0195       
142.4344 201.1935       140.2850 33.68330 9.602194 25.75948 9.634756 7.923817 
13.60260 
1 1 1 -15 -8  1  o 258.9753 7.422672  14249.49       798.7640 14285.17       
1220.302 14222.74       1056.555 259.0318 11.22109 258.9187 9.719635 0.1131592 
14.84534 
1 1 1 -15 -8  2  o 21.88679 6.211606  46.75284       87.20187 28.90919       
122.3379 65.18243       124.3303 20.98064 8.631804 22.79294 8.934658 -1.812296 
12.42321 
1 1 1 -15 -8  3  o 113.1503 3.904388  2691.390       170.3873 2716.500       
310.3595 2680.557       203.8558 113.4371 6.516749 112.8634 4.302204 0.5736847 
7.808775 
1 1 1 -15 -8  4  o 88.38120 3.286236  1648.838       116.0349 1632.120       
196.6022 1657.775       143.7400 87.99300 5.321833 88.76940 3.856874 
-0.7764053     6.572472 
1 1 1 -15 -8  5  o 101.2495 4.119936  2148.218       163.0892 2207.329       
291.0384 2121.160       196.9099 102.1571 6.785827 100.3419 4.674190 1.815216 
8.239872 
1 1 1 -15 -8  6  o 100.6626 4.443545  2134.865       187.7919 0.000000       
0.000000 2134.865       187.7919 ?        ?        100.6626 4.443545 ? ? 
1 1 1 -15 -8  7  o 39.39779 5.491505  257.2560       82.20206 572.7874       
166.9856 156.3378       94.43711 51.91780 7.660972 26.87777 7.869944 25.04003 
10.98301 
1 1 1 -15 -8  8  o 65.66821 4.143237  906.9764       100.6048 924.4686       
196.7617 900.7847       117.0638 65.97008 7.104191 65.36636 4.265692 0.6037216 
8.286474 
1 1 1 -15 -8  9  o 114.5467 4.690532  2805.843       187.5896 2749.371       
394.8058 2822.309       213.1922 113.4319 8.290285 115.6616 4.390392 -2.229721 
9.381064 
1 1 1 -15 -8  10 o 101.8410 3.854333  2151.612       140.1049 2278.086       
291.5454 2113.635       159.7617 103.5366 6.707079 100.1454 3.799817 3.391205 
7.708665 
1 1 1 -15 -8  11 o 83.30692 3.380979  1478.137       112.6105 1424.707       
189.0994 1507.497       140.1764 82.04912 5.489557 84.56473 3.948269 -2.515610 
6.761957 
1 1 1 -15 -8  12 o 206.4389 6.202454  8909.837       453.7448 9556.702       
954.7368 8721.101       515.7085 210.0570 10.82599 202.8208 6.056377 7.236176 
12.40491 
1 1 1 -15 -8  13 o 85.11250 4.060878  1498.092       121.5394 1603.633       
258.9695 1468.279       137.6393 86.77625 7.108348 83.44875 3.928652 3.327507 
8.121756 
1 1 1 -15 -8  14 f 115.4939 4.231099  2859.653       194.4297 2747.478       
329.3247 2919.673       240.8936 113.5140 6.910285 117.4737 4.884337 -3.959724 
8.462197 
1 1 1 -15 -8  15 o 28.17050 6.358221  173.5415       87.90158 83.85617       
147.5988 222.8327       109.4225 24.77397 9.729198 31.56703 8.188443 -6.793058 
12.71644 
1 1 1 -15 -8  16 f 103.0280 2.876143  2246.070       124.3966 2213.955       
174.6093 2279.170       177.2674 102.2805 4.066265 103.7755 4.068696 -1.494965 
5.752286 
1 1 1 -15 -8  17 o 23.33185 5.924200  98.12385       75.10655 140.7637       
109.2556 59.91878       103.4181 25.86834 8.600798 20.79537 8.149286 5.072966 
11.84840 
1 1 1 -15 -8  18 o 44.66315 4.524750  453.7005       76.80237 260.8155       
107.5646 654.3078       109.6967 33.92146 7.723568 55.40483 4.715925 -21.48337 
9.049500 
1 1 1 -15 -8  19 o 44.94959 4.095932  429.3258       75.76381 564.6708       
114.4503 323.7504       101.0829 51.25599 5.318554 38.64320 6.230538 12.61279 
8.191863 
1 1 1 -15 -8  20 o 54.46672 3.630349  630.0238       81.76266 695.9332       
129.5370 586.3759       105.4149 56.70805 5.440896 52.22539 4.807744 4.482655 
7.260698 
1 1 1 -15 -8  21 o 74.48221 3.214202  1206.828       97.98995 1137.885       
154.2795 1253.446       126.8655 72.44751 5.072311 76.51690 3.949183 -4.069389 
6.428404 
1 1 1 -15 -8  22 o 74.76912 3.139941  1217.730       97.31341 1145.377       
147.1114 1274.021       129.7599 72.58019 4.827799 76.95805 4.016128 -4.377861 
6.279883 
1 1 1 -15 -8  23 o 39.69903 4.872004  360.9321       79.34525 392.6035       
118.6492 335.3096       106.7189 41.53439 6.804214 37.86368 6.974836 3.670708 
9.744007 
1 1 1 -15 -8  24 o 32.88960 5.830054  266.8862       81.52391 338.7175       
118.9930 203.3444       111.9166 37.26657 7.851494 28.51262 8.620451 8.753942 
11.66011 
1 1 1 -15 -8  25 o 23.10020 6.033522  117.9192       79.60457 70.66457       
112.8615 164.7017       112.2963 20.52399 8.341523 25.67642 8.719663 -5.152426 
12.06704 
1 1 1 -15 -8  26 o 50.62453 4.914040  608.1039       98.12282 837.4456       
147.5593 426.3005       131.3790 60.20458 5.837918 41.04447 7.906318 19.16011 
9.828079 
1 1 1 -15 -8  27 f 40.25955 6.249029  450.2620       103.1146 375.3630       
143.4576 530.3198       148.3158 35.96797 9.397230 44.55114 8.239752 -8.583164 
12.49806 
1 1 1 -15 -7  1  o 221.6846 6.933278  10418.77       644.4885 10346.16       
888.2365 10499.50       936.5720 220.9215 9.576609 222.4478 10.02846 -1.526352 
13.86656 
1 1 1 -15 -7  2  o 184.5632 5.539602  7225.770       427.7309 6741.587       
616.5126 7675.125       593.9253 178.5151 8.225986 190.6112 7.421718 -12.09607 
11.07920 
1 1 1 -15 -7  3  o 106.1594 3.233841  2355.981       139.1247 2432.335       
230.6268 2312.299       174.4390 107.4680 5.111537 104.8508 3.962715 2.617226 
6.467682 
1 1 1 -15 -7  4  o 152.7542 4.594756  4927.427       265.8436 4924.585       
498.0504 4928.560       314.3731 152.5328 7.777338 152.9755 4.894908 
-0.4426727     9.189511 
1 1 1 -15 -7  5  o 131.6859 3.794750  3593.985       199.6605 3856.906       
344.6790 3461.210       244.9403 135.1675 6.073843 128.2042 4.550708 6.963303 
7.589500 
1 1 1 -15 -7  6  o 60.21572 4.543130  814.6406       95.58083 678.9772       
192.4472 859.0624       110.1231 56.55268 8.105493 63.87876 4.106228 -7.326080 
9.086260 
1 1 1 -15 -7  7  o 48.10511 4.726199  483.5625       86.91305 505.6565       
162.0455 474.6400       102.9780 48.78297 7.912066 47.42725 5.171753 1.355728 
9.452397 
1 1 1 -15 -7  8  o 44.92254 9.600775  448.3488       175.7774 448.3488       
175.7774 0.000000       0.000000 44.92254 9.600775 ?        ?        ? ? 
1 1 1 -15 -7  9  o 224.4884 7.532538  10618.13       592.9891 11356.21       
1263.625 10409.68       671.5226 227.7171 13.21733 221.2597 7.229021 6.457489 
15.06508 
1 1 1 -15 -7  10 o 99.20820 4.202104  2146.377       151.9329 1961.443       
295.1373 2213.056       177.2188 95.97345 7.324772 102.4429 4.120489 -6.469498 
8.404208 
1 1 1 -15 -7  11 o 34.26227 5.799174  261.4386       80.94654 254.2456       
129.7662 266.0203       103.5660 33.82731 8.983768 34.69724 7.335776 
-0.8699265     11.59835 
1 1 1 -15 -7  12 o 200.4148 5.822474  8488.241       453.7236 8845.976       
819.4963 8330.106       544.8552 202.7661 9.626596 198.0635 6.552360 4.702606 
11.64495 
1 1 1 -15 -7  13 o 91.70829 4.141417  1732.066       134.2261 1876.411       
284.7841 1690.842       152.1909 93.87058 7.226154 89.54600 4.048214 4.324585 
8.282834 
1 1 1 -15 -7  14 o 76.46179 3.746319  1286.123       112.1546 1092.975       
189.1321 1390.880       139.2870 71.72963 6.280405 81.19395 4.086091 -9.464325 
7.492638 
1 1 1 -15 -7  15 o 63.33918 3.160397  843.4630       83.55449 724.4996       
113.9505 981.8063       122.8821 58.51846 4.638145 68.15990 4.294187 -9.641438 
6.320794 
1 1 1 -15 -7  16 o 100.7463 3.190373  2152.744       134.6743 2101.745       
195.3313 2198.954       185.9327 99.57455 4.672450 101.9181 4.345358 -2.343529 
6.380746 
1 1 1 -15 -7  17 f 42.38584 4.653586  395.7979       79.72994 337.1637       
115.5674 449.0528       110.1387 38.92420 7.340471 45.84748 5.721970 -6.923283 
9.307172 
1 1 1 -15 -7  18 o 89.90041 3.096360  1682.739       113.1842 1853.380       
188.4932 1586.519       141.5424 93.28060 4.813107 86.52021 3.896637 6.760391 
6.192720 
1 1 1 -15 -7  19 o 162.0083 3.396724  5623.298       230.0436 5393.242       
336.9976 5824.042       314.7974 158.7446 5.056486 165.2719 4.536835 -6.527298 
6.793447 
1 1 1 -15 -7  20 o 102.3136 3.047553  2219.828       128.1926 2314.952       
204.8272 2158.575       164.3627 103.9383 4.693893 100.6889 3.888148 3.249413 
6.095107 
1 1 1 -15 -7  21 o 89.91216 3.113573  1762.954       114.7303 1586.080       
177.2868 1890.403       150.4922 85.71971 4.926255 94.10461 3.809116 -8.384895 
6.227147 
1 1 1 -15 -7  22 o 36.54203 5.312192  313.2544       79.95116 237.9165       
115.2229 383.2086       111.0297 31.52631 8.507712 41.55775 6.363677 -10.03144 
10.62438 
1 1 1 -15 -7  23 o 39.21859 4.908721  365.6134       76.28320 289.8502       
116.5741 422.3513       100.8810 34.67702 8.138246 43.76016 5.491004 -9.083141 
9.817442 
1 1 1 -15 -7  24 o 15.88549 5.142394  -52.02889      76.05975 -24.06547      
117.5865 -72.14589      99.73413 17.34738 7.779450 14.42361 6.727333 2.923770 
10.28479 
1 1 1 -15 -7  25 o 20.16786 5.846514  60.48415       79.26938 77.81937       
112.4539 43.36309       111.7570 20.98360 8.407927 19.35211 8.126112 1.631491 
11.69303 
1 1 1 -15 -7  26 o 56.49481 3.925221  726.4421       92.99727 698.7606       
132.5537 753.2753       130.5062 55.30903 5.708431 57.68059 5.389179 -2.371559 
7.850441 
1 1 1 -15 -7  27 o 39.57790 5.858267  412.7166       96.82001 275.5844       
133.8315 563.2997       140.2417 31.10591 9.431211 48.04988 6.951936 -16.94397 
11.71653 
1 1 1 -15 -7  28 o 46.67541 5.642193  583.5900       107.3015 615.9984       
147.6727 547.3408       156.1787 49.12364 7.160290 44.22718 8.721675 4.896454 
11.28439 
1 1 1 -15 -6  1  o 58.42962 4.678269  708.1358       113.8166 620.4301       
150.1022 826.7767       174.5782 54.24369 6.591117 62.61554 6.640933 -8.371857 
9.356539 
1 1 1 -15 -6  2  o 26.99423 6.715617  135.5292       94.62073 139.0706       
130.0913 131.5513       137.8756 27.02504 9.373189 26.96342 9.619842 
0.6161880E-01  13.43123 
1 1 1 -15 -6  3  o 57.50037 3.803645  706.0532       85.29077 670.0385       
149.8826 723.3005       103.7219 56.36293 6.334011 58.63782 4.213215 -2.274883 
7.607291 
1 1 1 -15 -6  4  f 59.16450 3.664947  730.6473       87.47470 761.4438       
146.8754 713.7191       108.8938 60.09480 5.821478 58.23421 4.453958 1.860588 
7.329895 
1 1 1 -15 -6  5  o 159.8939 4.657400  5403.332       301.4670 5389.349       
496.7139 5411.487       379.3180 159.5971 7.413143 160.1907 5.640106 
-0.5936127     9.314799 
1 1 1 -15 -6  6  o 170.9451 5.142693  6225.717       333.2532 6095.147       
619.9423 6278.781       395.2110 169.3589 8.718952 172.5313 5.456099 -3.172363 
10.28539 
1 1 1 -15 -6  7  o 40.95021 4.885540  354.9615       75.38553 377.2431       
137.7006 345.4253       90.08441 41.43934 8.206748 40.46108 5.303141 0.9782600 
9.771081 
1 1 1 -15 -6  8  o 80.64005 4.081811  1335.359       117.7961 1450.161       
245.7077 1301.099       134.2271 82.68678 7.077888 78.59332 4.067951 4.093460 
8.163622 
1 1 1 -15 -6  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -6  10 o 175.2807 5.660603  6527.394       365.2532 6618.406       
717.2618 6495.531       424.4027 175.4118 9.739574 175.1497 5.771516 0.2621155 
11.32121 
1 1 1 -15 -6  11 o 70.18416 3.687694  1054.629       103.1867 999.3342       
173.4679 1084.909       128.3672 68.65649 6.018090 71.71181 4.263677 -3.055321 
7.375388 
1 1 1 -15 -6  12 o 117.6272 4.240345  2952.477       187.7707 2887.389       
353.1253 2978.135       221.7132 116.4619 7.222143 118.7925 4.445529 -2.330658 
8.480689 
1 1 1 -15 -6  13 o 107.5175 4.140174  2394.611       153.7829 2546.577       
335.3409 2354.141       173.0523 109.3538 7.304219 105.6811 3.900327 3.672630 
8.280348 
1 1 1 -15 -6  14 o 136.0179 3.410958  3906.210       194.3758 3961.856       
285.1118 3857.886       265.6921 136.8962 4.960724 135.1397 4.682920 1.756454 
6.821915 
1 1 1 -15 -6  15 o 133.7065 3.498762  3783.121       195.6269 3781.073       
265.1504 3785.569       289.8076 133.7147 4.723177 133.6982 5.163035 
0.1641846E-01  6.997524 
1 1 1 -15 -6  16 f 13.82105 4.652059  -147.7432      75.04814 -211.5587      
104.3457 -79.35724      108.0177 12.08294 5.945039 15.55916 7.157032 -3.476228 
9.304117 
1 1 1 -15 -6  17 o 119.8729 3.242096  3043.270       157.6862 3067.160       
258.9908 3029.197       198.7760 120.0869 5.137001 119.6589 3.956762 0.4279938 
6.484192 
1 1 1 -15 -6  18 o 19.62086 5.592618  25.61260       71.42634 90.57024       
113.0968 -17.48652      92.12324 23.04413 8.644591 16.19760 7.097924 6.846529 
11.18524 
1 1 1 -15 -6  19 o 58.97140 3.431182  716.1502       83.45151 910.5847       
133.3019 590.8340       107.0171 65.32208 4.860684 52.62071 4.844150 12.70137 
6.862364 
1 1 1 -15 -6  20 o 55.34371 3.635848  658.8853       83.98421 644.6670       
124.9159 670.6138       113.4531 54.72507 5.436912 55.96235 4.828825 -1.237270 
7.271696 
1 1 1 -15 -6  21 o 28.08486 5.317773  180.2917       71.58152 61.08867       
104.1051 287.1854       98.58353 20.57986 8.142656 35.58986 6.841928 -15.00999 
10.63555 
1 1 1 -15 -6  22 o 46.63970 4.016999  473.5531       76.66727 485.5629       
123.4760 466.0181       97.80445 46.91488 6.268923 46.36452 5.024512 0.5503616 
8.033998 
1 1 1 -15 -6  23 o 60.86101 3.478199  807.1908       88.69162 802.7950       
129.3659 811.0894       121.8307 60.62978 5.082238 61.09224 4.749980 
-0.4624672     6.956397 
1 1 1 -15 -6  24 o 32.94899 5.460711  271.3392       76.13387 187.6183       
120.7563 326.5738       98.08418 27.75571 9.042152 38.14226 6.125106 -10.38655 
10.92142 
1 1 1 -15 -6  25 o 25.59689 5.674905  142.5728       80.17352 6.361978       
115.2307 270.3823       111.6205 18.16669 7.949738 33.02708 8.100608 -14.86039 
11.34981 
1 1 1 -15 -6  26 o 35.67617 5.884783  326.3866       86.78437 283.3185       
127.2762 363.8092       118.6415 32.89455 8.970693 38.45778 7.619013 -5.563229 
11.76957 
1 1 1 -15 -6  27 o 45.10828 5.117251  503.5676       92.80217 424.9006       
134.6694 574.7065       128.0638 40.65827 8.176826 49.55830 6.155044 -8.900024 
10.23450 
1 1 1 -15 -6  28 o 19.30108 6.054872  36.81103       97.88965 14.71037       
137.2712 59.67865       139.6328 18.52587 8.352198 20.07629 8.768504 -1.550415 
12.10974 
1 1 1 -15 -5  1  o 106.9766 4.298686  2404.722       192.8040 2267.386       
264.8690 2559.511       281.1948 103.7364 6.081645 110.2169 6.076873 -6.480499 
8.597372 
1 1 1 -15 -5  2  o 62.48445 4.406480  829.2006       113.9578 997.7419       
162.2030 664.9227       160.1383 68.82632 5.613391 56.14259 6.793975 12.68373 
8.812960 
1 1 1 -15 -5  3  o 28.75568 6.172224  170.8328       78.06745 194.9611       
132.9409 158.1327       96.44898 30.38666 9.437873 27.12471 7.956880 3.261944 
12.34445 
1 1 1 -15 -5  4  f 225.7560 6.515277  10682.60       519.3398 11054.47       
1090.984 10573.64       590.5416 227.6308 11.41585 223.8812 6.282810 3.749588 
13.03055 
1 1 1 -15 -5  5  f 225.9188 6.688639  11064.98       566.1628 10350.51       
1059.792 11350.32       669.7418 220.0637 11.47078 231.7738 6.882782 -11.71013 
13.37728 
1 1 1 -15 -5  6  o 146.8683 4.238408  4655.589       246.2205 4233.685       
415.8309 4883.371       305.5405 141.4816 7.000644 152.2550 4.779894 -10.77345 
8.476815 
1 1 1 -15 -5  7  o 234.3577 6.495483  11681.53       501.9171 11725.80       
1146.937 11671.04       558.2052 233.5769 11.69582 235.1384 5.654463 -1.561447 
12.99097 
1 1 1 -15 -5  8  o 188.0699 5.631109  7018.483       296.7028 8214.585       
859.5225 6856.675       316.1353 195.7186 10.46035 180.4212 4.173557 15.29735 
11.26222 
1 1 1 -15 -5  9  o 200.7746 7.541612  7988.698       302.5896 9505.463       
1273.325 7897.918       311.5133 207.8986 14.58844 193.6507 3.831586 14.24786 
15.08322 
1 1 1 -15 -5  10 o 70.23134 4.162813  1039.900       122.7430 0.000000       
0.000000 1039.900       122.7430 ?        ?        70.23134 4.162813 ? ? 
1 1 1 -15 -5  11 o 21.70003 9.153138  13.28200       142.8508 13.28200       
142.8508 0.000000       0.000000 21.70003 9.153138 ?        ?        ? ? 
1 1 1 -15 -5  12 o 108.2931 3.551464  2503.216       153.2324 2399.462       
258.7997 2559.223       190.1447 106.4256 5.792136 110.1607 4.111295 -3.735069 
7.102928 
1 1 1 -15 -5  13 o 35.56780 4.910512  269.9980       71.69801 332.9319       
107.8463 220.1509       95.98042 39.60093 6.486657 31.53467 7.373994 8.066261 
9.821024 
1 1 1 -15 -5  14 o 198.9074 4.776344  8408.934       391.2446 8420.326       
616.2664 8401.241       506.3836 198.7765 7.384557 199.0382 6.059883 
-0.2617035     9.552689 
1 1 1 -15 -5  15 o 190.4983 4.755161  7728.970       380.0767 7481.634       
540.2776 7971.302       534.7836 187.4234 6.866166 193.5732 6.580425 -6.149811 
9.510323 
1 1 1 -15 -5  16 o 77.95119 3.141003  1286.635       102.6494 1217.462       
145.9206 1354.400       144.4274 75.85606 4.581917 80.04632 4.297632 -4.190254 
6.282007 
1 1 1 -15 -5  17 f 23.69655 5.944311  105.6858       75.69616 62.39048       
113.2668 140.6291       101.7569 21.65435 8.516900 25.73875 8.294683 -4.084393 
11.88862 
1 1 1 -15 -5  18 o 151.6039 3.750519  4839.484       226.2591 5089.664       
391.8221 4714.327       277.1345 154.1550 6.054140 149.0528 4.428653 5.102173 
7.501039 
1 1 1 -15 -5  19 o 28.26710 5.925450  179.3318       74.78517 167.4588       
117.2286 187.4797       97.11305 27.70940 8.900285 28.82480 7.824880 -1.115393 
11.85090 
1 1 1 -15 -5  20 o 62.62828 3.449834  857.8005       88.18368 645.2788       
126.8473 1056.582       122.6783 54.78828 5.514608 70.46828 4.146626 -15.68000 
6.899667 
1 1 1 -15 -5  21 o 55.28170 3.581749  660.6129       82.67120 620.0945       
120.9418 696.1505       113.2649 53.59805 5.374631 56.96534 4.735933 -3.367294 
7.163499 
1 1 1 -15 -5  22 o 71.81660 3.187181  1107.352       96.02113 1159.563       
139.0570 1059.770       132.7511 73.43082 4.510613 70.20238 4.504094 3.228439 
6.374362 
1 1 1 -15 -5  23 o 40.30016 5.075517  368.8760       83.49516 441.9587       
123.1033 306.6137       113.6254 44.50210 6.588859 36.09821 7.722074 8.403896 
10.15103 
1 1 1 -15 -5  24 o 63.25375 3.363984  870.7579       89.23038 923.9635       
129.7762 823.0511       122.8871 65.08620 4.749274 61.42131 4.765496 3.664886 
6.727968 
1 1 1 -15 -5  25 o 74.32259 3.277890  1210.063       102.2556 1247.677       
145.6641 1173.519       143.5809 75.48746 4.596200 73.15771 4.674740 2.329742 
6.555780 
1 1 1 -15 -5  26 o 69.57816 3.545457  1071.807       102.8114 1120.015       
156.3215 1035.059       136.4837 70.75060 5.262713 68.40572 4.752359 2.344879 
7.090914 
1 1 1 -15 -5  27 f 67.70586 3.610955  1038.619       101.7531 966.5219       
150.2866 1099.642       138.2650 65.16106 5.493550 70.25065 4.687952 -5.089584 
7.221910 
1 1 1 -15 -5  28 o 30.76297 5.584099  236.0908       86.81684 456.7413       
129.2453 54.67456       117.1927 42.23965 7.561555 19.28629 8.218975 22.95336 
11.16820 
1 1 1 -15 -5  29 o 36.40490 6.677018  399.8672       103.1226 421.7302       
137.9327 372.1599       155.2780 38.56961 8.721613 34.24018 10.11255 4.329430 
13.35404 
1 1 1 -15 -4  1  o 27.01541 6.708893  116.7218       102.2335 220.9899       
142.1494 5.004650       147.1395 32.17598 9.712728 21.85484 9.257423 10.32114 
13.41779 
1 1 1 -15 -4  2  o 199.1938 6.256971  8368.731       519.5878 8635.737       
787.8766 8163.233       691.1954 201.9117 9.294323 196.4758 8.379398 5.435913 
12.51394 
1 1 1 -15 -4  3  o 178.4740 4.342599  6610.164       303.3200 7002.848       
544.2294 6433.223       365.3202 182.1299 7.117408 174.8182 4.977465 7.311691 
8.685198 
1 1 1 -15 -4  4  o 118.4156 3.286363  2967.887       161.4873 2832.774       
244.7115 3072.116       214.9307 115.9885 5.025283 120.8427 4.236420 -4.854210 
6.572725 
1 1 1 -15 -4  5  o 55.54716 3.965008  654.7721       88.88854 634.3369       
146.4130 666.7009       111.8631 54.82272 6.361214 56.27160 4.734986 -1.448875 
7.930015 
1 1 1 -15 -4  6  o 87.36453 3.263574  1617.356       116.0809 1565.070       
187.1551 1650.045       147.9844 86.17440 5.173024 88.55466 3.980389 -2.380257 
6.527149 
1 1 1 -15 -4  7  o 115.4697 3.985404  2759.474       158.3353 2909.554       
346.7765 2719.945       177.9696 117.2425 7.045077 113.6970 3.728361 3.545494 
7.970809 
1 1 1 -15 -4  8  o 83.65243 3.205085  1454.235       97.44968 1515.664       
196.8498 1434.293       112.1572 84.72684 5.533949 82.57802 3.235071 2.148819 
6.410170 
1 1 1 -15 -4  9  o 138.2525 3.533033  3565.769       122.8993 4653.658       
413.7253 3460.480       128.7092 148.1900 6.649887 128.3150 2.389203 19.87495 
7.066066 
1 1 1 -15 -4  10 o 69.23691 3.206072  975.9639       76.09590 1073.330       
169.1886 951.2725       85.19998 71.23042 5.657526 67.24339 3.017943 3.987030 
6.412143 
1 1 1 -15 -4  11 o 84.23474 4.281693  1548.507       133.9899 1406.290       
252.2663 1604.396       158.1410 81.26112 7.394306 87.20837 4.319239 -5.947258 
8.563387 
1 1 1 -15 -4  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -4  13 o 47.16583 4.169621  472.6101       82.28519 452.8279       
119.8423 490.2543       113.1809 46.20823 6.177487 48.12344 5.601928 -1.915211 
8.339241 
1 1 1 -15 -4  14 o 80.95639 3.044504  1395.883       102.3988 1263.226       
151.4525 1507.586       138.9779 77.34428 4.664116 84.56851 3.914337 -7.224236 
6.089008 
1 1 1 -15 -4  15 o 112.1102 3.141662  2650.117       147.1467 2690.248       
219.9589 2617.610       197.9677 112.8475 4.642702 111.3730 4.233850 1.474487 
6.283325 
1 1 1 -15 -4  16 o 32.27229 5.740482  236.6899       76.73305 202.7366       
124.3222 257.5840       97.52580 30.42061 9.063294 34.12396 7.047641 -3.703350 
11.48096 
1 1 1 -15 -4  17 o 74.09431 3.143342  1154.962       97.22529 1228.113       
147.1132 1098.235       129.5499 76.14184 4.602030 72.04679 4.282956 4.095047 
6.286684 
1 1 1 -15 -4  18 o 266.7086 5.736458  15402.84       634.9549 15729.65       
978.2540 15164.93       834.6664 268.5070 8.677947 264.9101 7.504735 3.596924 
11.47292 
1 1 1 -15 -4  19 o 74.71856 3.307281  1176.633       101.5285 1240.713       
162.9540 1135.974       129.8016 76.27470 5.088685 73.16241 4.225840 3.112289 
6.614563 
1 1 1 -15 -4  20 o 68.28725 3.203061  996.3461       91.51197 908.2087       
130.0436 1082.806       128.8003 65.23731 4.748034 71.33719 4.300530 -6.099876 
6.406122 
1 1 1 -15 -4  21 o 96.68105 3.089245  1996.713       125.2576 1982.935       
181.0198 2009.370       173.5013 96.31993 4.476422 97.04216 4.258566 
-0.7222290     6.178490 
1 1 1 -15 -4  22 o 77.01974 3.072749  1267.195       99.14629 1338.435       
146.1872 1206.515       134.9179 78.99419 4.407936 75.04529 4.282203 3.948898 
6.145499 
1 1 1 -15 -4  23 o 21.63635 5.715625  77.46643       74.10814 10.32409       
105.6906 142.4039       103.9408 18.11525 7.765196 25.15745 8.388993 -7.042196 
11.43125 
1 1 1 -15 -4  24 o 33.09295 5.313791  271.8699       79.31676 107.6706       
117.6369 408.7403       107.4021 23.28339 8.797176 42.90250 5.962816 -19.61911 
10.62758 
1 1 1 -15 -4  25 o 60.90784 3.749915  824.9222       95.23034 774.1988       
140.1017 868.4844       129.8356 58.94014 5.661782 62.87553 4.918505 -3.935390 
7.499831 
1 1 1 -15 -4  26 o 37.28965 5.882613  347.7387       89.70148 331.3627       
130.8741 362.2477       123.1885 36.15017 8.712700 38.42913 7.906289 -2.278954 
11.76523 
1 1 1 -15 -4  27 o 42.50262 5.407011  444.4625       93.39423 412.5609       
138.4500 471.1007       126.5143 40.21859 8.465909 44.78665 6.728405 -4.568058 
10.81402 
1 1 1 -15 -4  28 o 75.37984 3.695393  1297.458       116.9029 1276.041       
166.5798 1318.242       164.0993 74.66367 5.314155 76.09600 5.136484 -1.432335 
7.390785 
1 1 1 -15 -4  29 o 17.99553 5.707875  15.93627       89.40147 35.67828       
130.2684 -1.640441      122.9171 18.76941 8.315174 17.22164 7.821587 1.547771 
11.41575 
1 1 1 -15 -3  1  o 73.49658 4.401733  1131.691       135.3449 1062.188       
182.2971 1217.059       202.0342 71.00163 6.115507 75.99154 6.332581 -4.989906 
8.803466 
1 1 1 -15 -3  2  o 295.3499 9.360285  18487.23       1061.970 19049.91       
1954.198 18251.42       1265.071 297.4528 15.64845 293.2470 10.27549 4.205811 
18.72057 
1 1 1 -15 -3  3  o 93.91628 3.360246  1834.716       125.4119 1922.255       
217.8401 1791.318       153.3796 95.53643 5.431126 92.29612 3.958268 3.240311 
6.720492 
1 1 1 -15 -3  4  o 84.08817 3.484663  1465.047       114.2054 1551.812       
206.5104 1426.820       137.0743 85.80999 5.732249 82.36634 3.963941 3.443649 
6.969326 
1 1 1 -15 -3  5  f 122.5902 4.149502  3250.295       206.6113 2792.896       
322.6133 3568.347       269.0193 115.0085 6.681489 130.1719 4.922516 -15.16336 
8.299004 
1 1 1 -15 -3  6  o 102.4037 3.310587  2204.652       135.9562 2220.780       
229.4877 2195.930       168.7599 102.6438 5.325342 102.1635 3.934548 0.4803848 
6.621173 
1 1 1 -15 -3  7  o 368.6055 10.57301  29600.19       1252.159 29465.10       
2935.094 29630.24       1384.469 363.8741 19.21285 373.3370 8.832898 -9.462860 
21.14601 
1 1 1 -15 -3  8  o 95.20416 3.153591  1844.954       106.1440 2030.652       
226.1581 1792.493       120.2056 98.08295 5.492115 92.32536 3.101165 5.757591 
6.307183 
1 1 1 -15 -3  9  o 136.9157 4.157432  4023.847       175.3665 3873.944       
432.8687 4053.281       191.8123 135.0313 7.635594 138.8002 3.291603 -3.768890 
8.314863 
1 1 1 -15 -3  10 o 163.0647 4.366114  5343.379       165.9353 5989.541       
586.4323 5287.143       173.0056 167.5519 8.336611 158.5774 2.598603 8.974533 
8.732228 
1 1 1 -15 -3  11 o 103.6681 3.047203  2300.374       102.5154 2213.967       
237.1655 2320.228       113.6847 102.2934 5.522363 105.0428 2.577845 -2.749405 
6.094405 
1 1 1 -15 -3  12 o 210.2743 3.406924  9065.422       208.1617 9728.718       
566.8273 8962.021       223.7994 214.1144 6.305592 206.4341 2.582252 7.680359 
6.813848 
1 1 1 -15 -3  13 o 112.9252 4.154257  2689.406       196.9534 0.000000       
0.000000 2689.406       196.9534 ?        ?        112.9252 4.154257 ? ? 
1 1 1 -15 -3  14 o 69.14764 3.196939  1013.572       92.39474 944.2546       
134.0067 1076.384       127.5631 66.86258 4.773802 71.43269 4.253527 -4.570114 
6.393878 
1 1 1 -15 -3  15 o 45.53227 4.273651  444.6429       80.24168 410.2646       
122.8813 470.2001       105.9497 43.92999 6.662630 47.13455 5.354038 -3.204559 
8.547301 
1 1 1 -15 -3  16 o 112.6477 3.126718  2677.903       146.6732 2704.304       
222.5029 2657.615       195.0517 113.0937 4.686172 112.2016 4.140683 0.8921738 
6.253436 
1 1 1 -15 -3  17 o 47.52708 4.332518  466.7851       84.73544 622.2850       
132.1974 358.3451       110.3958 54.07712 5.822781 40.97704 6.417015 13.10007 
8.665036 
1 1 1 -15 -3  18 o 54.46603 3.852126  635.9915       87.30073 727.0163       
122.8682 543.1859       124.0642 58.48943 5.003607 50.44263 5.858278 8.046803 
7.704252 
1 1 1 -15 -3  19 o 167.2651 3.932676  5984.473       271.2936 5948.267       
424.4261 6009.485       352.7693 166.5538 6.069717 167.9764 5.002228 -1.422577 
7.865352 
1 1 1 -15 -3  20 o 63.00582 3.283977  854.5970       85.92735 747.2050       
125.2206 950.1688       118.1285 59.14243 5.043103 66.86920 4.207747 -7.726768 
6.567954 
1 1 1 -15 -3  21 o 28.67888 5.714875  186.5303       71.62119 203.8451       
105.6794 171.8217       97.40157 29.82743 8.192014 27.53033 7.970577 2.297096 
11.42975 
1 1 1 -15 -3  22 o 73.48438 3.195790  1157.946       98.18124 1156.049       
145.5299 1159.531       133.0115 73.35746 4.725296 73.61128 4.303937 
-0.2538223     6.391580 
1 1 1 -15 -3  23 o 41.68675 4.695389  393.3680       78.39428 371.1436       
121.7184 409.1222       102.4799 40.09738 7.508156 43.27612 5.640418 -3.178734 
9.390779 
1 1 1 -15 -3  24 o 70.00115 3.221209  1061.926       94.55791 1051.444       
136.6257 1071.563       131.0017 69.61191 4.674874 70.39040 4.432865 
-0.7784882     6.442418 
1 1 1 -15 -3  25 o 39.61299 5.185945  367.4193       83.71386 448.3947       
120.4798 291.8302       116.4039 44.56413 6.439466 34.66185 8.130767 9.902283 
10.37189 
1 1 1 -15 -3  26 o 35.07834 6.049658  306.8094       88.64453 260.3926       
121.6563 359.3467       129.4290 32.06763 8.781617 38.08905 8.323259 -6.021420 
12.09932 
1 1 1 -15 -3  27 o 56.14143 4.221865  722.9889       98.97586 754.7389       
135.5176 686.6910       144.8988 57.75094 5.589304 54.53192 6.329002 3.219025 
8.443730 
1 1 1 -15 -3  28 o 51.03038 4.622108  615.8465       98.88048 656.7191       
140.9948 576.2881       138.7094 52.85472 6.353900 49.20604 6.714423 3.648689 
9.244216 
1 1 1 -15 -3  29 o 38.36918 5.656945  387.2460       90.22702 518.1820       
133.3901 276.8089       122.5044 45.61056 6.965931 31.12780 8.915152 14.48276 
11.31389 
1 1 1 -15 -2  1  o 85.42015 4.338842  1532.286       155.3001 1622.692       
228.4830 1454.654       211.7278 87.75056 6.201904 83.08974 6.069481 4.660820 
8.677685 
1 1 1 -15 -2  2  o 149.2910 4.178909  4687.015       230.3448 4714.631       
450.3950 4677.233       268.0529 149.4575 7.177893 149.1245 4.281468 0.3330231 
8.357818 
1 1 1 -15 -2  3  o 196.5663 5.184737  8125.198       405.8412 8268.779       
696.9361 8051.528       499.2153 197.6914 8.397041 195.4412 6.084051 2.250168 
10.36947 
1 1 1 -15 -2  4  o 100.2938 3.950850  1995.947       142.2074 2361.189       
301.2151 1891.188       161.3173 105.7645 6.783561 94.82298 4.052178 10.94154 
7.901699 
1 1 1 -15 -2  5  o 120.7532 3.578565  2897.818       163.1257 3470.221       
320.0508 2696.932       189.6017 128.2774 5.942783 113.2290 3.988463 15.04836 
7.157130 
1 1 1 -15 -2  6  o 145.4732 4.492224  4550.986       262.5788 4166.413       
429.7679 4780.055       331.6865 140.3443 7.293907 150.6020 5.245877 -10.25768 
8.984447 
1 1 1 -15 -2  7  o 56.30022 3.780634  695.6675       80.13123 605.2156       
146.0207 734.6442       95.85355 53.51323 6.499414 59.08722 3.863987 -5.573990 
7.561268 
1 1 1 -15 -2  8  o 47.15464 4.296073  459.6303       72.38158 489.5751       
150.6494 450.6430       82.53177 48.05156 7.467599 46.25772 4.249697 1.793846 
8.592146 
1 1 1 -15 -2  9  o 123.6562 3.510963  3100.858       133.3195 3412.925       
341.7361 3044.836       144.7926 126.9770 6.410427 120.3355 2.865983 6.641495 
7.021925 
1 1 1 -15 -2  10 o 83.44895 3.079861  1428.524       85.90402 1534.516       
196.5396 1403.493       95.51031 85.20334 5.494328 81.69456 2.784699 3.508774 
6.159723 
1 1 1 -15 -2  11 o 136.9234 3.918450  3898.342       162.0226 4065.593       
418.0980 3868.787       175.7562 138.2545 7.203110 135.5923 3.087427 2.662186 
7.836900 
1 1 1 -15 -2  12 o 88.93088 2.372220  1715.010       83.18815 1512.365       
140.1033 1825.356       103.3855 84.70044 3.939888 93.16131 2.643293 -8.460869 
4.744440 
1 1 1 -15 -2  13 o 59.39072 2.632537  739.9724       63.57541 756.2411       
104.2601 730.3426       80.21397 59.88119 4.147140 58.90025 3.243799 0.9809380 
5.265074 
1 1 1 -15 -2  14 o 138.0135 3.727345  4022.933       215.2694 4094.602       
318.7440 3962.828       291.8981 139.1052 5.457828 136.9219 5.077847 2.183304 
7.454691 
1 1 1 -15 -2  15 o 163.8597 10.60379  5814.346       729.4784 5814.346       
729.4784 0.000000       0.000000 163.8597 10.60379 ?        ?        ? ? 
1 1 1 -15 -2  16 o 88.65936 2.968267  1648.281       107.9563 1709.738       
173.5024 1609.458       137.9027 89.95065 4.594331 87.36806 3.759594 2.582588 
5.936533 
1 1 1 -15 -2  17 o 53.45457 4.248030  612.2864       92.65728 589.6841       
148.1905 626.7947       118.7277 52.54759 6.717207 54.36155 5.202131 -1.813965 
8.496060 
1 1 1 -15 -2  18 o 205.5459 4.738237  8961.192       399.2915 9492.536       
645.2001 8631.371       508.3292 210.0233 7.317254 201.0686 6.021739 8.954697 
9.476474 
1 1 1 -15 -2  19 o 34.55906 5.772305  266.2285       83.42796 350.4064       
123.0823 194.6818       113.4726 39.59425 7.678356 29.52387 8.620955 10.07038 
11.54461 
1 1 1 -15 -2  20 f 133.1398 3.402399  3751.949       187.2612 3923.736       
294.2883 3635.067       242.7468 135.5275 5.172096 130.7522 4.422071 4.775360 
6.804799 
1 1 1 -15 -2  21 o 42.42092 4.456416  384.5906       78.78827 434.6194       
120.6327 347.3741       104.0453 44.77064 6.417895 40.07120 6.184595 4.699444 
8.912832 
1 1 1 -15 -2  22 o 28.76486 5.874686  185.2949       80.18619 277.1501       
113.4597 93.63159       113.3411 34.64013 7.963405 22.88960 8.638977 11.75053 
11.74937 
1 1 1 -15 -2  23 o 34.63219 5.515280  270.8600       77.92688 351.8423       
121.4036 214.1142       101.6257 39.01159 7.686151 30.25280 7.911785 8.758793 
11.03056 
1 1 1 -15 -2  24 o 15.35381 4.967007  -62.90273      73.57938 -129.5352      
111.1658 -10.95170      98.15790 14.09631 6.734704 16.61132 7.302629 -2.515009 
9.934013 
1 1 1 -15 -2  25 o 23.03082 5.939110  98.60413       78.96049 27.13751       
108.9729 177.6026       114.5714 18.84212 7.973316 27.21951 8.804450 -8.377396 
11.87822 
1 1 1 -15 -2  26 o 55.68742 4.110405  696.3859       96.01063 720.8273       
134.8724 671.2757       136.7052 56.77303 5.658512 54.60182 5.963470 2.171204 
8.220810 
1 1 1 -15 -2  27 o 66.97211 3.721310  999.1891       104.3982 923.7799       
142.4126 1086.788       153.4918 64.23876 5.280466 69.70546 5.244927 -5.466698 
7.442619 
1 1 1 -15 -2  28 o 22.61288 6.250183  100.4256       92.31925 8.708571       
136.7098 177.3126       125.1703 19.10086 8.482996 26.12491 9.181389 -7.024048 
12.50037 
1 1 1 -15 -2  29 o 22.03137 6.452505  92.88857       96.05730 166.1219       
153.6718 45.92416       123.0620 24.85778 9.874744 19.20496 8.308352 5.652817 
12.90501 
1 1 1 -15 -2  30 o 46.54420 5.240551  565.8190       98.54271 533.9439       
147.6045 591.4500       132.3595 44.17279 8.265251 48.91561 6.445085 -4.742817 
10.48110 
1 1 1 -15 -1  1  o 71.16681 4.241794  1021.951       123.0449 891.6422       
153.2303 1258.521       206.4614 65.06699 5.609252 77.26663 6.364555 -12.19965 
8.483588 
1 1 1 -15 -1  2  f 263.0300 6.067904  14587.60       627.7963 14786.84       
1103.572 14492.27       763.3495 263.9924 9.957043 262.0676 6.937950 1.924805 
12.13581 
1 1 1 -15 -1  3  o 236.0478 6.813639  11860.84       608.3337 11725.37       
1138.303 11915.00       719.7357 234.5570 11.55927 237.5385 7.217057 -2.981445 
13.62728 
1 1 1 -15 -1  4  o 246.3470 7.255637  13192.36       713.6186 11899.70       
1177.994 13941.76       896.9299 236.0652 11.88591 256.6289 8.324801 -20.56378 
14.51127 
1 1 1 -15 -1  5  o 55.08525 4.180979  609.6911       94.36279 803.6194       
154.7309 494.8566       119.0674 61.72741 5.970629 48.44309 5.854393 13.28432 
8.361958 
1 1 1 -15 -1  6  o 116.3228 3.375779  2834.521       155.5613 2895.853       
270.3149 2804.151       190.2158 117.1964 5.493851 115.4493 3.924429 1.747131 
6.751558 
1 1 1 -15 -1  7  o 137.2637 3.554072  3916.866       180.2827 4086.087       
355.1471 3858.122       209.2476 139.1048 6.081173 135.4226 3.680361 3.682175 
7.108145 
1 1 1 -15 -1  8  o 195.0072 4.629755  7845.810       291.4424 8359.437       
695.7714 7736.514       320.9565 198.3123 8.356761 191.7022 3.987862 6.610123 
9.259509 
1 1 1 -15 -1  9  o 94.09428 3.107764  1711.853       87.99538 2094.770       
237.0103 1650.631       94.76909 99.57181 5.669594 88.61674 2.547252 10.95506 
6.215528 
1 1 1 -15 -1  10 o 120.7896 2.996875  3038.221       108.7492 3128.666       
281.8237 3022.398       117.8788 121.6622 5.517506 119.9170 2.341403 1.745285 
5.993750 
1 1 1 -15 -1  11 o 108.4875 3.162503  2500.596       110.0751 2455.835       
259.7308 2510.395       121.5287 107.7147 5.743406 109.2603 2.649339 -1.545563 
6.325007 
1 1 1 -15 -1  12 o 105.8525 2.425257  2379.988       103.8108 2281.684       
169.7454 2438.722       131.2081 104.0435 3.886012 107.6615 2.902827 -3.618034 
4.850515 
1 1 1 -15 -1  13 o 21.56389 5.105617  91.94652       52.89544 98.01959       
87.87022 88.49514       66.24210 22.42478 7.710565 20.70300 6.694510 1.721773 
10.21123 
1 1 1 -15 -1  14 o 48.17960 3.061800  483.2785       60.28389 517.3217       
98.56740 462.9349       76.19619 49.49298 4.743629 46.86623 3.872525 2.626751 
6.123600 
1 1 1 -15 -1  15 o 172.9051 4.159830  6346.442       297.8757 6271.092       
459.1133 6401.219       391.4506 171.8777 6.362406 173.9325 5.360647 -2.054810 
8.319660 
1 1 1 -15 -1  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 -1  17 o 144.8250 3.360007  4475.238       202.0368 4155.724       
302.5742 4732.318       271.4066 140.0188 5.147147 149.6312 4.320355 -9.612350 
6.720014 
1 1 1 -15 -1  18 o 92.89722 3.134421  1769.986       118.3744 2055.468       
198.9333 1613.491       147.2883 98.44017 4.813447 87.35426 4.016107 11.08591 
6.268842 
1 1 1 -15 -1  19 o 167.0413 4.436617  5917.144       304.5832 6296.178       
489.1225 5677.072       389.2686 171.0522 6.810988 163.0304 5.687243 8.021713 
8.873235 
1 1 1 -15 -1  20 o 69.05998 3.228937  1017.820       92.02569 994.8726       
143.0705 1034.014       120.1878 68.30662 4.988943 69.81335 4.100559 -1.506729 
6.457874 
1 1 1 -15 -1  21 f 92.25006 3.196643  1807.494       121.4275 1848.548       
192.2830 1780.261       156.6054 92.98595 4.925435 91.51416 4.076051 1.471794 
6.393286 
1 1 1 -15 -1  22 o 49.08158 4.151087  518.6855       84.36665 542.2235       
131.7259 502.3149       109.8549 49.90672 6.286854 48.25645 5.422321 1.650261 
8.302175 
1 1 1 -15 -1  23 o 39.04651 4.927055  344.6870       78.50246 313.0941       
113.4375 373.7224       108.7493 36.82815 7.596054 41.26487 6.277217 -4.436722 
9.854110 
1 1 1 -15 -1  24 o 20.83075 5.891336  62.99507       77.77318 70.80878       
114.4560 56.29258       106.0053 21.43238 8.519572 20.22913 8.139303 1.203253 
11.78267 
1 1 1 -15 -1  25 o 29.67553 6.096754  209.7214       85.46143 118.4035       
120.0455 303.5627       121.6928 23.91703 8.919199 35.43403 8.314416 -11.51699 
12.19351 
1 1 1 -15 -1  26 o 41.99422 5.248336  415.3830       90.06581 463.5034       
128.1101 368.3554       126.6471 45.00526 6.780181 38.98317 8.013067 6.022083 
10.49667 
1 1 1 -15 -1  27 o 65.01205 3.743632  943.9703       102.1704 955.6696       
145.7205 932.6580       143.2915 65.39855 5.307300 64.62554 5.281258 0.7730103 
7.487264 
1 1 1 -15 -1  28 f 42.48021 6.454490  471.6431       109.8754 478.7332       
174.3714 466.9740       141.5017 41.82886 10.04151 43.13155 8.112322 -1.302696 
12.90898 
1 1 1 -15 -1  29 o 24.91757 6.422656  162.4108       94.51531 58.93061       
149.5344 231.2554       121.9684 20.94993 9.112139 28.88521 9.053781 -7.935276 
12.84531 
1 1 1 -15 -1  30 o 31.37950 6.792484  294.6247       96.46265 349.3753       
152.2775 257.9293       124.6657 33.31477 10.05204 29.44423 9.138257 3.870539 
13.58497 
1 1 1 -15 0   1  o 266.4547 8.998709  15167.83       1004.889 15128.27       
1463.821 15203.10       1381.964 265.9857 13.10843 266.9237 12.33192 
-0.9379883     17.99742 
1 1 1 -15 0   2  o 318.1820 9.377699  21743.44       1164.806 21470.50       
2060.195 21871.69       1412.184 315.5528 15.55097 320.8112 10.48487 -5.258423 
18.75540 
1 1 1 -15 0   3  o 197.0676 5.794264  8360.901       449.7232 7787.080       
771.0628 8656.746       553.6473 191.5674 9.587142 202.5677 6.510046 -11.00031 
11.58853 
1 1 1 -15 0   4  o 234.6262 6.932227  11503.63       593.3853 12087.72       
1192.604 11311.46       684.0706 237.8408 11.94348 231.4116 7.041042 6.429276 
13.86445 
1 1 1 -15 0   5  o 336.4824 10.20803  24520.80       1322.797 24213.60       
2394.165 24655.79       1587.025 333.0830 17.12074 339.8817 11.12185 -6.798645 
20.41606 
1 1 1 -15 0   6  o 170.3549 5.037722  6117.437       315.9497 6179.984       
620.7863 6095.572       367.0439 170.6365 8.665455 170.0733 5.140472 0.5631866 
10.07544 
1 1 1 -15 0   7  o 135.0720 4.309559  3775.029       191.6366 3980.111       
445.0858 3728.358       212.3253 137.0299 7.736590 133.1141 3.799258 3.915741 
8.619118 
1 1 1 -15 0   8  o 184.7399 5.303531  7167.438       308.6479 7344.013       
752.2302 7131.692       338.4498 185.4802 9.659937 183.9997 4.381252 1.480530 
10.60706 
1 1 1 -15 0   9  o 100.1996 3.255472  2038.072       100.3076 2234.068       
256.4782 2002.680       108.9886 102.7948 5.942928 97.60440 2.659700 5.190407 
6.510944 
1 1 1 -15 0   10 o 131.7855 3.268490  3552.298       128.3597 3823.764       
339.4986 3507.019       138.6517 134.4128 6.016149 129.1582 2.556963 5.254593 
6.536980 
1 1 1 -15 0   11 o 86.66356 2.376781  1568.218       82.01565 1621.452       
141.4530 1541.259       100.6632 87.72491 3.840700 85.60221 2.800960 2.122696 
4.753562 
1 1 1 -15 0   12 o 77.50845 2.315969  1241.640       71.65679 1338.479       
124.0758 1193.177       87.77453 79.70298 3.707947 75.31393 2.775967 4.389046 
4.631939 
1 1 1 -15 0   13 o 106.0230 2.461760  2279.447       101.4818 2599.995       
187.2483 2146.138       120.7539 111.0459 4.016394 101.0001 2.847743 10.04586 
4.923521 
1 1 1 -15 0   14 o 194.6638 2.994425  7885.056       233.3066 8347.467       
400.0543 7646.731       287.2040 198.7986 4.793211 190.5289 3.590465 8.269760 
5.988849 
1 1 1 -15 0   15 o 98.11792 2.297142  2033.052       93.29876 1988.128       
143.6919 2065.796       122.6752 97.15288 3.522879 99.08297 2.949027 -1.930092 
4.594283 
1 1 1 -15 0   16 o 104.8995 2.547093  2367.996       104.1468 2183.377       
181.7023 2458.323       127.0960 101.7095 4.255200 108.0895 2.800717 -6.380058 
5.094187 
1 1 1 -15 0   17 o 49.54301 5.404172  418.3791       96.92553 821.6308       
207.6784 306.0836       109.5934 61.85797 7.996808 37.22805 7.271270 24.62992 
10.80834 
1 1 1 -15 0   18 o 72.38302 4.990696  1111.776       151.6620 1111.776       
151.6620 0.000000       0.000000 72.38302 4.990696 ?        ?        ? ? 
1 1 1 -15 0   19 o 74.06660 3.201569  1163.483       98.41660 1167.508       
151.0970 1160.516       129.7038 74.11845 4.855685 74.01476 4.174027 0.1036911 
6.403139 
1 1 1 -15 0   20 o 138.1284 3.736378  4100.222       215.0114 3800.461       
316.7344 4356.418       292.8161 133.2427 5.662039 143.0142 4.876821 -9.771530 
7.472755 
1 1 1 -15 0   21 o 43.27535 4.979904  410.6584       87.01521 516.4334       
128.4316 320.9029       118.3072 48.90223 6.255531 37.64847 7.750233 11.25376 
9.959808 
1 1 1 -15 0   22 o 58.77440 3.607432  746.7538       88.14479 630.3085       
124.7999 862.6619       124.5117 54.06467 5.498217 63.48413 4.671603 -9.419456 
7.214864 
1 1 1 -15 0   23 o 84.07896 3.146345  1511.991       110.4281 1558.444       
166.2772 1475.335       147.7052 85.14700 4.651408 83.01093 4.238202 2.136078 
6.292690 
1 1 1 -15 0   24 o 78.17678 3.364306  1322.279       110.3781 1345.837       
154.9482 1298.008       157.2742 78.92305 4.676316 77.43051 4.838005 1.492538 
6.728612 
1 1 1 -15 0   25 o 85.33115 3.303615  1580.611       118.2789 1544.230       
163.8090 1620.240       170.9635 84.33413 4.626531 86.32817 4.717066 -1.994041 
6.607231 
1 1 1 -15 0   26 f 74.90657 3.509058  1231.989       109.2672 1237.689       
166.5266 1227.680       144.7965 74.82346 5.301110 74.98968 4.599150 
-0.1662140     7.018116 
1 1 1 -15 0   27 o 24.76791 6.151332  104.2182       87.99316 266.7067       
137.4170 -8.712053      114.5604 31.98916 9.528269 17.54665 7.782522 14.44252 
12.30266 
1 1 1 -15 0   28 o 25.87455 6.719808  168.1534       98.82542 96.01456       
163.0045 210.0805       124.2688 23.42871 9.824834 28.32040 9.170382 -4.891691 
13.43962 
1 1 1 -15 0   29 o 51.42262 5.401480  677.7868       106.7851 558.6016       
169.3218 756.4973       137.5998 45.64634 9.158142 57.19889 5.729954 -11.55256 
10.80296 
1 1 1 -15 0   30 o 17.02082 5.603841  -54.03924      101.0836 -161.5626      
157.0728 21.97200       132.0652 15.56925 7.569577 18.47239 8.265207 -2.903141 
11.20768 
1 1 1 -15 1   1  o 324.9593 10.41375  22738.08       1371.413 22636.07       
2249.211 22798.44       1730.252 323.3309 16.56930 326.5876 12.61917 -3.256775 
20.82751 
1 1 1 -15 1   2  o 47.76228 4.694190  466.9155       86.96111 519.0281       
160.3038 445.1848       103.5164 49.55095 7.705717 45.97360 5.363172 3.577351 
9.388380 
1 1 1 -15 1   3  o 192.9198 4.545839  7858.232       351.2928 7834.047       
592.8027 7871.320       436.1180 192.5430 7.333370 193.2966 5.374038 
-0.7536774     9.091678 
1 1 1 -15 1   4  o 120.4821 3.974200  2997.801       178.4959 3195.010       
348.6092 2927.729       207.8019 123.0030 6.750628 117.9612 4.195959 5.041740 
7.948400 
1 1 1 -15 1   5  o 159.1590 4.927189  5481.510       292.1949 5072.593       
550.7556 5641.692       344.7063 154.6693 8.481562 163.6487 5.017157 -8.979431 
9.854378 
1 1 1 -15 1   6  o 53.34251 4.685914  695.0123       86.57119 421.7148       
150.3915 830.4514       105.8711 43.86475 8.468612 62.82027 4.014195 -18.95552 
9.371827 
1 1 1 -15 1   7  o 186.1919 3.743575  7338.623       244.3908 7262.193       
513.3678 7361.020       277.9013 185.3210 6.598194 187.0629 3.538540 -1.741852 
7.487151 
1 1 1 -15 1   8  f 225.7906 5.917128  10685.11       367.6910 11049.00       
1055.278 10634.83       392.2729 226.8587 11.07982 224.7226 4.157791 2.136078 
11.83426 
1 1 1 -15 1   9  o 259.1045 6.851165  13581.72       416.5755 15348.93       
1458.746 13424.81       434.6765 265.7580 13.07418 252.4510 4.101192 13.30696 
13.70233 
1 1 1 -15 1   10 o 117.1327 3.295265  2723.651       108.3951 3131.056       
312.4980 2667.930       115.5703 121.6067 6.120838 112.6587 2.443445 8.947998 
6.590529 
1 1 1 -15 1   11 f 49.78503 3.224663  500.4005       63.32148 588.7714       
114.2895 461.2585       76.06303 52.78296 5.157434 46.78711 3.872296 5.995850 
6.449326 
1 1 1 -15 1   12 o 205.3750 3.627322  8774.972       254.3956 9164.247       
561.3770 8674.373       285.3801 207.7783 6.435399 202.9717 3.348954 4.806580 
7.254644 
1 1 1 -15 1   13 o 160.3718 2.784383  5343.899       163.0099 5580.479       
327.2619 5265.834       187.9904 162.5342 4.795920 158.2094 2.830249 4.324799 
5.568766 
1 1 1 -15 1   14 o 146.1776 2.327571  4423.548       131.0353 4686.688       
242.1095 4314.537       155.8313 149.1199 3.867205 143.2354 2.591347 5.884552 
4.655143 
1 1 1 -15 1   15 o 146.0489 2.327278  4365.723       128.8056 4781.951       
246.5026 4209.391       151.0705 150.6164 3.898256 141.4813 2.543324 9.135071 
4.654556 
1 1 1 -15 1   16 f 79.66636 2.307113  1329.784       76.16208 1377.380       
118.5066 1296.290       99.41107 80.85649 3.490990 78.47623 3.017294 2.380264 
4.614226 
1 1 1 -15 1   17 o 105.2787 2.413850  2345.976       105.2017 2274.708       
161.5811 2398.416       138.6035 103.8466 3.706119 106.7108 3.093762 -2.864189 
4.827700 
1 1 1 -15 1   18 o 26.08816 6.180131  140.3192       80.06718 120.1997       
118.3526 157.2981       108.7235 25.10948 8.917344 27.06683 8.559033 -1.957352 
12.36026 
1 1 1 -15 1   19 o 54.50788 7.797179  643.2338       178.4332 643.2338       
178.4332 0.000000       0.000000 54.50788 7.797179 ?        ?        ? ? 
1 1 1 -15 1   20 o 47.06567 4.338108  467.6608       84.79822 529.8458       
132.2897 424.2890       110.4809 49.64042 6.347632 44.49093 5.914753 5.149494 
8.676216 
1 1 1 -15 1   21 o 47.80576 4.086141  483.0473       81.06633 599.5959       
122.9673 393.4568       107.8120 52.86681 5.540230 42.74471 6.007666 10.12209 
8.172282 
1 1 1 -15 1   22 o 51.33039 3.989581  565.6342       85.72397 605.7769       
127.3482 532.3730       115.9200 52.96639 5.726821 49.69439 5.556126 3.271999 
7.979162 
1 1 1 -15 1   23 o 52.16890 4.089627  590.8218       88.74902 490.5367       
122.3935 702.0140       128.8775 47.38866 6.151836 56.94914 5.390277 -9.560478 
8.179254 
1 1 1 -15 1   24 o 74.60655 3.208175  1200.268       100.3381 1121.482       
141.3609 1280.267       142.4444 72.07946 4.671313 77.13365 4.398681 -5.054192 
6.416351 
1 1 1 -15 1   25 o 75.68497 3.258269  1242.987       103.4574 1199.632       
147.0636 1285.466       145.5695 74.32156 4.713154 77.04839 4.500160 -2.726830 
6.516538 
1 1 1 -15 1   26 o 38.97181 5.446455  361.5315       87.07327 438.3321       
123.4252 285.4362       122.8572 43.92667 6.692628 34.01695 8.594430 9.909721 
10.89291 
1 1 1 -15 1   27 o 49.36649 4.930014  571.0454       100.4398 515.2914       
150.8764 615.4186       134.5997 46.66446 7.701160 52.06852 6.157295 -5.404053 
9.860027 
1 1 1 -15 1   28 o 30.03135 6.789619  247.2797       100.7811 164.9837       
164.1456 297.0724       127.6799 26.26342 10.27198 33.79929 8.881560 -7.535870 
13.57924 
1 1 1 -15 1   29 o 28.99708 6.607865  233.1830       99.81774 118.5505       
152.0519 319.9977       132.3227 23.54145 9.643766 34.45270 9.036221 -10.91125 
13.21573 
1 1 1 -15 1   30 o 26.99677 6.962238  215.2845       100.0643 230.2077       
170.1525 207.3949       123.7197 27.18662 10.49400 26.80691 9.152430 0.3797054 
13.92448 
1 1 1 -15 2   1  o 129.9134 3.910671  3567.249       201.8022 3521.801       
345.8006 3590.721       248.5077 129.2040 6.374864 130.6228 4.531500 -1.418808 
7.821342 
1 1 1 -15 2   2  o 179.7890 5.205647  6852.503       367.1563 6773.492       
644.6935 6890.431       446.6688 178.7985 8.588364 180.7794 5.885154 -1.980835 
10.41129 
1 1 1 -15 2   3  o 128.5237 3.820712  3512.661       203.9357 3211.018       
303.3773 3761.337       275.4573 123.4008 5.855801 133.6467 4.909273 -10.24589 
7.641424 
1 1 1 -15 2   4  o 43.00158 5.372504  423.2822       85.27335 340.0057       
152.6945 461.0250       102.7968 39.22814 9.383698 46.77503 5.234635 -7.546890 
10.74501 
1 1 1 -15 2   5  o 158.8581 4.785172  5309.585       278.4326 5382.304       
551.8901 5284.756       322.4811 159.3242 8.250720 158.3920 4.849446 0.9322510 
9.570345 
1 1 1 -15 2   6  o 30.52304 6.007633  172.0313       77.55798 308.8014       
140.0498 111.5325       93.14515 37.37127 9.016695 23.67480 7.941399 13.69647 
12.01527 
1 1 1 -15 2   7  o 124.6397 3.887826  3292.156       160.6324 3255.528       
363.9738 3301.016       179.0085 124.0056 6.991173 125.2739 3.403566 -1.268341 
7.775652 
1 1 1 -15 2   8  o 120.1879 3.166878  2995.627       116.6538 3115.242       
295.7508 2973.590       126.9459 121.4303 5.801226 118.9454 2.542098 2.484947 
6.333757 
1 1 1 -15 2   9  o 221.2644 6.158090  9963.401       279.3052 11009.34       
1127.556 9895.028       288.2899 225.6470 11.90227 216.8817 3.166121 8.765274 
12.31618 
1 1 1 -15 2   10 o 132.8335 3.267641  3349.882       103.3019 4198.599       
366.7268 3276.734       107.6615 140.7905 6.204267 124.8766 2.053526 15.91382 
6.535281 
1 1 1 -15 2   11 o 178.4049 3.384823  6562.567       213.6788 7016.875       
451.4574 6431.412       242.5696 182.0177 5.907777 174.7920 3.305491 7.225769 
6.769646 
1 1 1 -15 2   12 o 59.94617 2.754673  718.6612       66.08448 886.0200       
116.4078 639.0759       80.27393 64.80640 4.278440 55.08593 3.471002 9.720463 
5.509347 
1 1 1 -15 2   13 o 104.2548 2.460790  2323.683       102.2401 2176.108       
171.5429 2404.984       127.3255 101.5910 4.021966 106.9186 2.836501 -5.327614 
4.921580 
1 1 1 -15 2   14 o 71.46296 2.484747  1082.580       72.41297 1045.442       
116.1838 1106.170       92.59816 70.42458 3.929547 72.50134 3.042127 -2.076752 
4.969495 
1 1 1 -15 2   15 o 81.62737 2.380942  1407.045       79.90775 1382.963       
125.9394 1423.272       103.3832 81.01453 3.702710 82.24022 2.994241 -1.225693 
4.761884 
1 1 1 -15 2   16 o 52.04049 2.937299  559.6599       63.33443 644.8104       
99.93056 502.4938       81.87928 55.27075 4.306496 48.81022 3.995621 6.460529 
5.874597 
1 1 1 -15 2   17 o 86.04041 2.328376  1560.867       82.06393 1555.437       
131.1824 1564.359       105.1876 85.88152 3.638288 86.19930 2.906577 
-0.3177795     4.656751 
1 1 1 -15 2   18 o 24.64469 5.197629  121.6968       58.29751 185.7375       
93.26115 80.62351       74.68822 28.87005 7.592649 20.41933 7.100216 8.450718 
10.39526 
1 1 1 -15 2   19 o 58.09422 3.223615  664.9512       72.32876 848.3514       
137.7557 595.1486       84.98560 63.13870 5.196788 53.04973 3.815779 10.08897 
6.447230 
1 1 1 -15 2   20 o 110.0167 4.197876  2567.408       193.8953 0.000000       
0.000000 2567.408       193.8953 ?        ?        110.0167 4.197876 ? ? 
1 1 1 -15 2   21 o 99.58319 3.179720  2103.856       131.7398 2166.017       
201.4603 2057.417       174.1301 100.7791 4.761458 98.38727 4.215567 2.391853 
6.359441 
1 1 1 -15 2   22 o 126.1986 3.331511  3408.706       176.2375 3362.155       
255.4154 3451.011       243.4872 125.3031 4.855192 127.0942 4.563220 -1.791168 
6.663022 
1 1 1 -15 2   23 o 79.58595 3.428937  1361.693       114.5388 1387.926       
164.3883 1336.942       159.6789 80.32043 4.874901 78.85148 4.823462 1.468948 
6.857874 
1 1 1 -15 2   24 o 33.09682 5.838628  258.6452       80.95856 273.6283       
115.7103 244.2765       113.3127 34.06152 8.181797 32.13212 8.331657 1.929401 
11.67726 
1 1 1 -15 2   25 o 44.78001 4.716595  448.0190       88.53121 482.3314       
129.1181 417.5752       121.6219 46.41180 6.626435 43.14822 6.713825 3.263584 
9.433190 
1 1 1 -15 2   26 o 26.08551 6.666175  130.9989       96.85757 249.8592       
151.8187 49.41318       125.7806 31.40423 10.13278 20.76678 8.664776 10.63745 
13.33235 
1 1 1 -15 2   27 o 69.77388 4.022433  1078.389       116.0893 1166.278       
182.9609 1019.160       150.1957 71.82027 6.067816 67.72750 5.282185 4.092766 
8.044866 
1 1 1 -15 2   28 o 19.19302 6.010442  6.795223       94.19362 0.7306643      
151.1715 10.64400       120.4292 19.89360 8.873507 18.49243 8.109409 1.401169 
12.02088 
1 1 1 -15 2   29 f 37.81699 6.628112  374.6621       104.6214 493.2701       
163.6762 292.7247       136.0410 42.91587 9.344317 32.71811 9.402723 10.19775 
13.25622 
1 1 1 -15 2   30 o 26.27936 6.956980  174.0055       102.5074 310.1411       
171.2814 98.03543       127.9516 31.14310 10.75965 21.41562 8.822035 9.727480 
13.91396 
1 1 1 -15 2   31 o 26.80423 6.782548  226.1046       99.90002 170.6960       
156.0123 264.6134       130.0618 24.16622 9.812208 29.44225 9.366559 -5.276030 
13.56510 
1 1 1 -15 3   1  o 190.8392 4.586126  7647.202       345.8682 7809.885       
603.7515 7567.734       421.9708 192.1645 7.483523 189.5139 5.303499 2.650635 
9.172253 
1 1 1 -15 3   2  o 53.32805 4.705912  608.3281       100.5157 573.9280       
167.1435 627.8170       125.8070 52.08052 7.644258 54.57558 5.490695 -2.495056 
9.411823 
1 1 1 -15 3   3  o 202.7647 5.465760  8628.266       428.0007 8896.126       
781.4031 8513.461       511.5630 204.6665 9.093882 200.8628 6.066255 3.803741 
10.93152 
1 1 1 -15 3   4  o 136.5592 3.920177  3949.616       208.6256 3886.213       
370.5521 3979.041       252.4364 135.6359 6.507225 137.4825 4.373464 -1.846634 
7.840354 
1 1 1 -15 3   5  o 103.6141 3.666104  2237.780       145.7474 2325.890       
269.7997 2201.472       173.1928 104.9517 6.123124 102.2764 4.033437 2.675285 
7.332207 
1 1 1 -15 3   6  o 127.1574 3.182610  3474.324       157.8095 3216.614       
275.4530 3600.239       192.5401 123.4907 5.312931 130.8240 3.505538 -7.333305 
6.365221 
1 1 1 -15 3   7  o 126.7287 4.038123  3371.648       183.1991 3429.635       
376.0544 3353.604       209.7750 127.2433 7.039420 126.2142 3.958828 1.029129 
8.076246 
1 1 1 -15 3   8  o 57.06174 3.829448  679.3919       75.21642 701.8201       
163.7970 673.3986       84.67167 57.55699 6.778429 56.56648 3.565332 0.9905090 
7.658896 
1 1 1 -15 3   9  o 76.41031 2.873944  1297.769       78.70045 1098.587       
153.5911 1368.685       91.64584 72.13844 5.071311 80.68218 2.705554 -8.543747 
5.747889 
1 1 1 -15 3   10 o 53.38071 3.708605  576.6797       70.24328 650.4434       
149.6420 555.8328       79.55242 55.38840 6.435108 51.37302 3.688411 4.015377 
7.417209 
1 1 1 -15 3   11 o 120.8131 2.490822  3112.847       114.6108 2980.282       
210.4841 3168.716       136.6441 118.8770 4.217379 122.7492 2.651510 -3.872276 
4.981645 
1 1 1 -15 3   12 o 78.82225 2.543889  1318.022       80.69556 1275.945       
133.7682 1342.094       101.1789 77.78507 4.096168 79.85943 3.017762 -2.074356 
5.087778 
1 1 1 -15 3   13 o 131.1949 2.509845  3607.682       131.6184 3683.797       
224.4826 3567.809       162.4758 132.1771 4.045271 130.2128 2.972049 1.964279 
5.019690 
1 1 1 -15 3   14 o 121.5815 2.234167  3086.912       111.2932 3221.345       
179.7519 3003.342       141.7253 123.6785 3.461787 119.4845 2.825250 4.194031 
4.468334 
1 1 1 -15 3   15 o 46.91133 3.244089  472.6689       62.10431 426.6993       
97.41331 504.1480       80.61075 44.92013 5.165334 48.90253 3.926293 -3.982395 
6.488178 
1 1 1 -15 3   16 o 122.4657 2.389971  3174.525       119.6253 3090.016       
191.2257 3228.860       153.3330 121.0702 3.762099 123.8612 2.948637 -2.791031 
4.779942 
1 1 1 -15 3   17 o 138.1559 2.417240  4036.788       135.1714 3971.245       
222.0510 4075.374       170.3764 137.1850 3.855379 139.1267 2.916890 -1.941681 
4.834479 
1 1 1 -15 3   18 o 112.9800 2.503205  2705.254       117.0732 2621.473       
179.7884 2766.932       154.2608 111.4013 3.844081 114.5588 3.207364 -3.157532 
5.006410 
1 1 1 -15 3   19 o 45.70749 3.383799  434.0241       64.16504 510.4753       
100.5855 381.5664       83.31968 49.01618 4.887841 42.39880 4.680746 6.617378 
6.767597 
1 1 1 -15 3   20 o 21.57796 5.301163  92.06494       58.17226 84.42416       
92.34630 97.09165       74.90180 21.55628 7.854650 21.59965 7.121361 
-0.4336357E-01 10.60233 
1 1 1 -15 3   21 o 62.57991 3.491516  824.7003       91.07517 969.3428       
137.8299 712.5980       121.3397 67.39838 4.870965 57.76143 5.003641 9.636951 
6.983031 
1 1 1 -15 3   22 o 62.73034 5.272426  845.3875       138.8568 845.3875       
138.8568 0.000000       0.000000 62.73034 5.272426 ?        ?        ? ? 
1 1 1 -15 3   23 o 42.64326 4.778405  399.0187       85.47505 420.0848       
123.7727 379.8130       118.1810 43.72157 6.742952 41.56494 6.772386 2.156635 
9.556810 
1 1 1 -15 3   24 o 73.60611 3.361799  1167.734       103.2951 1008.252       
142.9893 1341.797       149.3830 68.25423 4.989935 78.95799 4.506363 -10.70376 
6.723598 
1 1 1 -15 3   25 o 31.56086 5.920838  239.6263       83.86254 144.8698       
119.1550 332.6363       118.0518 25.52170 8.959143 37.60002 7.743323 -12.07832 
11.84168 
1 1 1 -15 3   26 o 85.62569 3.771493  1584.490       133.8420 1817.087       
210.8549 1427.529       173.2110 90.62264 5.542019 80.62874 5.116899 9.993904 
7.542985 
1 1 1 -15 3   27 o 49.52283 4.738582  566.0900       97.19431 532.1100       
146.6874 592.6840       129.7692 47.79082 7.310876 51.25483 6.030565 -3.464012 
9.477163 
1 1 1 -15 3   28 o 64.38357 4.124140  914.3469       109.8801 1144.893       
172.3512 756.4725       142.6235 71.07616 5.775792 57.69098 5.888494 13.38518 
8.248281 
1 1 1 -15 3   29 o 25.59018 6.844158  164.5533       100.4128 161.7345       
152.5564 166.7080       133.3783 25.56926 9.922725 25.61110 9.429185 
-0.4184341E-01 13.68832 
1 1 1 -15 3   30 f 21.94513 5.981157  77.98113       97.02647 -152.2106      
157.1070 219.9113       123.3639 15.97164 7.718222 27.91862 9.139256 -11.94698 
11.96231 
1 1 1 -15 3   31 f 56.99120 6.017785  917.4103       126.6447 511.3961       
180.4786 1311.275       177.7578 39.92398 10.59102 74.05843 5.717093 -34.13444 
12.03557 
1 1 1 -15 4   1  o 98.33093 3.257326  2082.643       126.8429 1889.665       
213.6330 2187.713       157.6362 94.67681 5.374595 101.9851 3.681633 -7.308243 
6.514653 
1 1 1 -15 4   2  o 148.6034 4.042085  4631.312       233.8925 4730.864       
419.9664 4586.549       281.6087 149.6207 6.685652 147.5861 4.544872 2.034653 
8.084170 
1 1 1 -15 4   3  o 136.4030 4.376683  4005.033       233.1022 3715.772       
405.9712 4147.304       284.7132 132.5005 7.297913 140.3055 4.833412 -7.804993 
8.753366 
1 1 1 -15 4   4  o 52.30058 4.597178  574.4014       95.84480 589.9551       
164.5879 566.4207       117.8974 52.77872 7.427797 51.82244 5.418855 0.9562798 
9.194355 
1 1 1 -15 4   5  o 261.6507 6.520636  14662.52       691.3890 14254.12       
1127.887 14908.36       875.0798 258.2033 10.40459 265.0980 7.862529 -6.894653 
13.04127 
1 1 1 -15 4   6  o 20.19715 5.233658  69.76055       59.63561 -17.01612      
112.0927 104.0190       70.43037 18.19885 7.902010 22.19545 6.864614 -3.996603 
10.46732 
1 1 1 -15 4   7  o 121.8443 3.447745  3254.008       159.8326 2829.989       
286.1125 3446.361       192.7055 115.7180 5.889210 127.9707 3.586780 -12.25272 
6.895490 
1 1 1 -15 4   8  o 125.1678 3.830759  3262.612       148.0282 3378.717       
371.3169 3240.672       161.4090 126.2127 7.007495 124.1229 3.097398 2.089775 
7.661518 
1 1 1 -15 4   9  o 96.00816 3.450749  1888.610       104.2926 2032.951       
257.8063 1860.366       114.0407 97.96671 6.268101 94.04961 2.888178 3.917107 
6.901497 
1 1 1 -15 4   10 o 217.1691 6.153004  9893.120       276.4192 10313.08       
1088.077 9864.147       285.7953 217.8324 11.89756 216.5058 3.144174 1.326599 
12.30601 
1 1 1 -15 4   11 o 188.5199 3.914383  7512.606       272.0214 7539.695       
532.4897 7503.041       316.4250 188.3834 6.732705 188.6565 3.995031 
-0.2730713     7.828767 
1 1 1 -15 4   12 o 33.61420 4.472533  248.7376       59.25809 228.0468       
97.32131 260.9284       74.70257 32.09590 7.373178 35.13250 5.064628 -3.036602 
8.945066 
1 1 1 -15 4   13 o 99.50056 2.128337  2107.079       84.12609 2008.638       
142.8109 2159.391       104.1062 97.65924 3.483126 101.3419 2.446857 -3.682648 
4.256674 
1 1 1 -15 4   14 o 125.5248 2.097382  3348.427       108.4857 3127.603       
167.3157 3508.603       142.4989 121.8865 3.269657 129.1631 2.627812 -7.276527 
4.194765 
1 1 1 -15 4   15 o 156.9056 2.708112  5229.875       174.6741 4977.871       
272.9431 5404.675       227.3206 153.6085 4.232313 160.2027 3.379794 -6.594116 
5.416224 
1 1 1 -15 4   16 o 70.38890 2.396570  1044.900       69.01157 1038.272       
110.6367 1049.121       88.29416 70.17809 3.755075 70.59970 2.978860 
-0.4216080     4.793140 
1 1 1 -15 4   17 o 50.95103 3.142251  533.8703       65.95323 626.3228       
106.5548 476.4536       83.97173 54.41119 4.664507 47.49086 4.211571 6.920330 
6.284502 
1 1 1 -15 4   18 o 164.1854 2.592194  5768.826       165.1608 5485.000       
292.9023 5901.142       199.9867 160.9967 4.333382 167.3741 2.845993 -6.377457 
5.184388 
1 1 1 -15 4   19 o 29.71067 4.949802  186.8314       60.39187 263.8353       
96.93320 137.9788       77.20757 34.44766 6.946034 24.97368 7.053707 9.473980 
9.899604 
1 1 1 -15 4   20 o 83.59795 2.373781  1420.640       79.74482 1669.206       
138.1876 1296.533       97.64393 88.81068 3.706166 78.38521 2.967100 10.42548 
4.747562 
1 1 1 -15 4   21 o 78.21188 2.434934  1303.280       78.36852 1249.168       
122.2814 1340.997       102.0908 76.75622 3.794617 79.66753 3.052293 -2.911316 
4.869868 
1 1 1 -15 4   22 o 31.67779 6.191283  230.6845       85.17241 252.4700       
123.3948 210.8600       117.7102 33.03246 8.754863 30.32312 8.756729 2.709345 
12.38257 
1 1 1 -15 4   23 o 99.27367 6.039336  2146.092       251.7110 2146.092       
251.7110 0.000000       0.000000 99.27367 6.039336 ?        ?        ? ? 
1 1 1 -15 4   24 o 47.35397 4.367611  492.9114       86.46481 552.1044       
123.9721 436.8440       120.6547 50.22271 5.879561 44.48524 6.460253 5.737469 
8.735223 
1 1 1 -15 4   25 o 35.70181 5.978301  315.4718       92.46974 200.3675       
140.9103 402.5317       122.5479 29.07513 9.767608 42.32850 6.895952 -13.25336 
11.95660 
1 1 1 -15 4   26 o 39.59431 5.716216  384.0915       92.07935 297.8597       
139.3805 450.8712       122.6565 34.47476 9.381325 44.71387 6.533854 -10.23911 
11.43243 
1 1 1 -15 4   27 o 74.50403 3.871228  1243.594       118.7135 1192.714       
184.4339 1279.585       155.1185 72.73036 6.040127 76.27769 4.843811 -3.547325 
7.742457 
1 1 1 -15 4   28 o 85.82153 3.756880  1664.155       133.7036 1507.372       
198.3597 1794.698       181.0011 81.57796 5.791640 90.06510 4.786804 -8.487137 
7.513760 
1 1 1 -15 4   29 o 32.70816 6.672022  281.7060       96.49758 360.6099       
149.5754 225.4519       126.2956 36.37823 9.637774 29.03810 9.229131 7.340136 
13.34404 
1 1 1 -15 4   30 o 21.94572 6.562421  91.12235       104.8019 57.84760       
159.9684 116.1436       138.7175 21.20764 9.322895 22.68379 9.238242 -1.476151 
13.12484 
1 1 1 -15 4   31 o 44.22306 6.001680  545.4184       107.1349 480.1060       
162.2045 595.9596       142.6882 39.93590 9.746556 48.51022 7.006091 -8.574322 
12.00336 
1 1 1 -15 5   1  o 106.8446 3.316031  2421.241       143.3921 2342.920       
234.5822 2467.963       181.1820 105.4022 5.301106 108.2870 3.985288 -2.884872 
6.632062 
1 1 1 -15 5   2  o 67.12329 3.807096  952.0298       98.99165 946.0839       
178.1985 954.6837       119.0508 66.90846 6.343722 67.33813 4.211069 
-0.4296646     7.614191 
1 1 1 -15 5   3  o 125.1327 3.551173  3227.326       169.0463 3475.803       
320.1595 3131.275       199.0560 128.2894 5.944242 121.9759 3.887069 6.313538 
7.102346 
1 1 1 -15 5   4  o 186.0409 4.476217  7323.115       342.8731 7286.918       
539.7153 7347.610       443.9765 185.5247 6.929214 186.5571 5.668516 -1.032318 
8.952435 
1 1 1 -15 5   5  o 142.7928 3.576158  4274.241       192.1633 4359.914       
365.7801 4241.582       225.8393 143.6270 6.066037 141.9585 3.789302 1.668488 
7.152316 
1 1 1 -15 5   6  f 158.0428 4.074100  5233.424       232.7088 5364.519       
471.9073 5191.303       267.4940 159.0813 7.065756 157.0043 4.058109 2.077011 
8.148199 
1 1 1 -15 5   7  o 229.3840 5.508271  10892.77       428.5430 11692.65       
959.6061 10693.50       478.9567 233.6729 9.781507 225.0952 5.068170 8.577713 
11.01654 
1 1 1 -15 5   8  o 160.5823 3.779501  5404.405       175.8374 5508.602       
474.4235 5387.812       189.3210 161.1008 7.014382 160.0638 2.817260 1.037079 
7.559002 
1 1 1 -15 5   9  o 15.94539 5.154646  -46.78234      61.62078 -49.02153      
138.4729 -46.22943      68.80933 19.21301 8.534571 12.67778 5.782958 6.535237 
10.30929 
1 1 1 -15 5   10 o 122.2655 2.867104  3094.943       113.4386 3240.872       
269.0583 3063.395       125.1010 123.8236 5.175639 120.7075 2.468583 3.116142 
5.734208 
1 1 1 -15 5   11 o 51.64692 3.279073  510.5978       66.44285 718.8707       
123.9706 426.6607       78.70084 58.31655 5.063467 44.97729 4.167803 13.33926 
6.558146 
1 1 1 -15 5   12 o 112.8758 2.501852  2712.380       112.3398 2592.391       
190.2714 2776.592       139.1899 110.8742 4.087560 114.8774 2.885985 -4.003273 
5.003705 
1 1 1 -15 5   13 o 93.13071 2.349740  1859.632       89.62338 1649.572       
138.3639 2011.472       117.6370 88.48097 3.724722 97.78044 2.865582 -9.299469 
4.699481 
1 1 1 -15 5   14 o 135.2100 2.600312  3838.926       138.3231 3888.454       
243.1328 3815.224       168.1958 135.7673 4.265496 134.6526 2.975236 1.114639 
5.200624 
1 1 1 -15 5   15 o 19.08490 4.602512  41.61080       55.36189 -77.93856      
82.96194 137.5867       74.33380 13.13196 6.129060 25.03785 6.867831 -11.90589 
9.205025 
1 1 1 -15 5   16 o 62.77509 2.743429  817.4144       70.42675 890.1256       
115.3114 774.1553       88.94273 64.93732 4.229596 60.61286 3.495158 4.324459 
5.486858 
1 1 1 -15 5   17 o 116.4521 2.148821  2806.707       100.3268 3021.757       
172.0330 2695.873       123.5033 119.7204 3.422667 113.1838 2.599055 6.536598 
4.297643 
1 1 1 -15 5   18 o 56.85131 3.001726  706.4216       69.14034 570.7795       
106.0155 806.8135       91.20561 51.87469 4.867826 61.82793 3.513645 -9.953243 
6.003451 
1 1 1 -15 5   19 o 101.0902 2.451414  2103.562       99.56369 2345.807       
171.0915 1979.520       122.4288 105.3009 3.870058 96.87950 3.010045 8.421402 
4.902828 
1 1 1 -15 5   20 o 63.34730 2.832836  854.7953       73.60078 829.7368       
116.3797 871.4978       95.01456 62.50130 4.435161 64.19330 3.525506 -1.691998 
5.665673 
1 1 1 -15 5   21 o 53.25082 3.015188  622.5289       63.88006 534.6838       
104.5714 674.8251       80.68443 50.03344 4.978217 56.46820 3.403351 -6.434761 
6.030376 
1 1 1 -15 5   22 o 105.5637 2.366255  2367.085       102.2927 2335.227       
163.1608 2387.716       131.3020 104.8649 3.706014 106.2626 2.943147 -1.397736 
4.732510 
1 1 1 -15 5   23 o 105.3727 2.690444  2296.585       102.7450 2504.310       
210.2965 2231.453       117.7562 108.0361 4.636434 102.7093 2.730832 5.326866 
5.380889 
1 1 1 -15 5   24 o 56.55398 5.518026  696.6674       131.0165 0.000000       
0.000000 696.6674       131.0165 ?        ?        56.55398 5.518026 ? ? 
1 1 1 -15 5   25 o 39.19171 5.817289  376.2699       93.61572 262.2098       
141.0725 466.0215       125.1401 32.67738 9.635049 45.70605 6.521444 -13.02868 
11.63458 
1 1 1 -15 5   26 o 39.50573 6.061745  372.7935       97.53880 465.2796       
148.1468 302.0263       129.5896 44.00616 8.321706 35.00529 8.816360 9.000874 
12.12349 
1 1 1 -15 5   27 o 54.55862 4.537031  679.0535       102.3690 661.0202       
157.2145 692.3275       134.8815 53.53274 6.995104 55.58451 5.779890 -2.051777 
9.074062 
1 1 1 -15 5   28 o 91.50528 3.404037  1852.578       130.0991 1855.486       
193.8822 1850.196       175.4687 91.32779 5.056571 91.68277 4.558615 
-0.3549805     6.808074 
1 1 1 -15 5   29 o 27.46621 6.531317  199.1990       94.74020 111.7713       
144.0005 265.9248       125.8017 23.30847 9.441670 31.62395 9.027029 -8.315481 
13.06263 
1 1 1 -15 5   30 o 32.25270 6.618020  307.8566       101.7182 194.5381       
159.1121 386.1770       132.2788 26.39457 10.15622 38.11083 8.487872 -11.71626 
13.23604 
1 1 1 -15 5   31 o 33.24712 6.808207  336.5112       100.1184 340.8027       
151.3546 333.1725       133.4982 32.87593 10.04201 33.61831 9.195913 
-0.7423782     13.61641 
1 1 1 -15 6   1  f 144.4411 4.137102  4367.649       241.3483 4551.673       
404.0634 4265.579       300.9272 146.6676 6.562005 142.2146 5.040092 4.453003 
8.274203 
1 1 1 -15 6   2  o 197.9504 5.932280  8375.433       468.7451 8195.347       
792.4099 8472.371       581.3729 195.8955 9.634885 200.0052 6.923639 -4.109772 
11.86456 
1 1 1 -15 6   3  o 165.5764 5.362872  5806.255       342.3452 5847.875       
623.0711 5788.256       409.7352 165.6458 8.959389 165.5070 5.896687 0.1387787 
10.72574 
1 1 1 -15 6   4  o 135.6248 4.314472  3863.292       219.9485 3948.514       
419.4791 3830.978       258.3039 136.4327 7.323403 134.8170 4.563599 1.615738 
8.628943 
1 1 1 -15 6   5  o 110.0094 4.116934  2466.066       164.1698 2742.367       
337.8699 2380.671       187.8337 113.7171 7.076927 106.3017 4.208764 7.415451 
8.233869 
1 1 1 -15 6   6  o 115.2168 3.819375  2899.702       152.9883 2632.677       
317.8117 2980.242       174.5421 111.4376 6.792964 118.9960 3.493727 -7.558441 
7.638749 
1 1 1 -15 6   7  o 73.42944 3.296129  1127.722       88.92218 1157.609       
176.0399 1117.484       103.0329 73.99081 5.667016 72.86808 3.367905 1.122726 
6.592257 
1 1 1 -15 6   8  o 264.8724 5.055653  14452.65       293.9867 15456.85       
1095.073 14374.65       305.1903 268.3067 9.721488 261.4380 2.780500 6.868683 
10.11131 
1 1 1 -15 6   9  o 107.5183 3.346097  2277.762       104.6943 2673.902       
290.7335 2218.739       112.2231 112.3172 6.165525 102.7195 2.602259 9.597702 
6.692194 
1 1 1 -15 6   10 o 146.9001 4.463784  4343.199       195.2856 4922.103       
522.4477 4249.179       210.5474 151.7629 8.199705 142.0373 3.530763 9.725601 
8.927567 
1 1 1 -15 6   11 o 158.9910 2.654193  5361.788       152.6363 5257.820       
305.8987 5396.255       176.1292 157.8005 4.617321 160.1815 2.619027 -2.380966 
5.308386 
1 1 1 -15 6   12 o 180.5608 3.195417  6844.190       212.1776 6960.095       
418.4295 6804.071       246.1746 181.3453 5.495878 179.7763 3.261609 1.568970 
6.390835 
1 1 1 -15 6   13 o 82.25081 2.473586  1431.922       83.10960 1393.325       
133.0331 1456.629       106.4359 81.30463 3.897315 83.19698 3.047205 -1.892349 
4.947173 
1 1 1 -15 6   14 o 40.46310 3.694273  344.6807       61.80450 355.2071       
96.79695 337.4356       80.30472 40.95812 5.629149 39.96807 4.785738 0.9900513 
7.388546 
1 1 1 -15 6   15 o 122.9347 2.014860  3202.183       99.92510 3098.110       
164.7247 3262.779       125.6931 121.3015 3.234547 124.5679 2.403402 -3.266319 
4.029719 
1 1 1 -15 6   16 o 160.5020 2.994735  5376.287       191.4289 5636.841       
330.9804 5245.319       234.6590 163.2508 4.829120 157.7532 3.543072 5.497604 
5.989470 
1 1 1 -15 6   17 o 47.00475 3.276625  471.0908       62.18090 454.6564       
102.1930 480.7523       78.35490 46.29364 5.258003 47.71587 3.911330 -1.422230 
6.553250 
1 1 1 -15 6   18 o 147.3573 2.754267  4575.889       158.1183 4627.130       
282.8688 4552.601       190.6923 147.7678 4.559594 146.9468 3.090964 0.8210144 
5.508535 
1 1 1 -15 6   19 o 19.36048 4.858236  -0.9919354     60.03910 162.5455       
96.67347 -103.6737      76.60291 27.11105 7.970373 11.60990 5.557245 15.50115 
9.716472 
1 1 1 -15 6   20 o 70.99266 2.641542  1039.313       76.71633 1188.283       
126.4306 952.5008       96.51491 74.86608 4.022427 67.11923 3.425062 7.746849 
5.283083 
1 1 1 -15 6   21 o 44.89159 3.675454  402.8531       65.89071 638.7730       
108.2185 263.8691       83.06193 54.72817 4.709901 35.05502 5.643817 19.67315 
7.350907 
1 1 1 -15 6   22 o 29.20974 5.089463  196.0713       61.58446 179.0509       
95.89700 208.0175       80.34058 28.03480 7.842846 30.38469 6.488474 -2.349897 
10.17893 
1 1 1 -15 6   23 o 124.4104 2.685099  3297.733       140.2412 3253.827       
197.5490 3342.342       199.1224 123.5704 3.807862 125.2503 3.786715 -1.679810 
5.370197 
1 1 1 -15 6   24 f 56.67679 3.657310  716.1259       82.52596 627.9290       
135.3993 768.2561       104.0962 53.49419 6.028801 59.85939 4.142129 -6.365204 
7.314620 
1 1 1 -15 6   25 o 50.07293 7.168201  596.0120       118.9486 646.9542       
269.8775 583.7299       132.5141 48.83192 12.94980 51.31393 6.151029 -2.482010 
14.33640 
1 1 1 -15 6   26 o 59.52828 4.226179  791.0635       105.4504 757.1398       
150.9234 823.4207       147.3977 58.15872 6.181058 60.89783 5.765142 -2.739113 
8.452357 
1 1 1 -15 6   27 o 26.73921 6.665250  171.9692       92.90810 167.2689       
140.2378 175.6460       124.0332 26.61009 9.681067 26.86833 9.164016 
-0.2582340     13.33050 
1 1 1 -15 6   28 o 46.01357 5.424971  519.2401       99.29000 450.5795       
151.6269 570.7845       131.3750 42.11954 8.854850 49.90759 6.269997 -7.788055 
10.84994 
1 1 1 -15 6   29 o 36.29562 6.508218  362.7549       101.5931 272.4036       
155.9198 429.4128       133.9244 31.19570 10.27466 41.39553 7.991178 -10.19983 
13.01644 
1 1 1 -15 6   30 o 41.27363 6.144265  483.2007       105.0461 301.0696       
160.7050 619.0738       138.8048 31.65255 10.43114 50.89470 6.496103 -19.24215 
12.28853 
1 1 1 -15 6   31 o 19.18805 5.942675  29.16230       97.58134 -83.66711      
145.7267 120.8782       131.3864 16.33474 7.778970 22.04136 8.986054 -5.706623 
11.88535 
1 1 1 -15 7   1  o 29.13025 6.165138  190.3960       82.50532 107.5013       
144.1489 230.7827       100.6161 25.93275 9.753275 32.32774 7.543828 -6.394989 
12.33028 
1 1 1 -15 7   2  o 86.89803 3.756756  1619.064       128.2975 1523.179       
221.5774 1667.425       157.3597 84.83745 6.220982 88.95862 4.213340 -4.121170 
7.513511 
1 1 1 -15 7   3  o 60.03918 4.167229  741.5154       101.3359 839.9617       
171.2998 688.5163       125.6873 62.97495 6.479033 57.10342 5.242645 5.871529 
8.334458 
1 1 1 -15 7   4  o 30.08520 5.960637  193.4202       77.33727 230.5197       
121.8603 168.4008       100.0729 32.32870 8.760588 27.84170 8.085102 4.487007 
11.92127 
1 1 1 -15 7   5  o 38.22668 5.770645  295.5903       86.91810 437.0874       
150.4450 224.6983       106.4885 44.58600 8.346034 31.86737 7.971516 12.71863 
11.54129 
1 1 1 -15 7   6  o 136.5247 4.423299  3953.897       201.0855 3939.802       
453.3852 3957.349       224.3595 135.9921 7.940994 137.0573 3.899092 -1.065201 
8.846599 
1 1 1 -15 7   7  o 51.74339 4.243043  579.0843       81.35819 540.8796       
155.0068 593.6111       95.58247 50.42937 7.321300 53.05740 4.290948 -2.628033 
8.486087 
1 1 1 -15 7   8  o 207.9641 4.367572  8821.384       220.8358 9603.421       
739.3718 8744.784       231.3984 212.0164 8.306430 203.9119 2.702956 8.104568 
8.735145 
1 1 1 -15 7   9  o 15.99923 5.010992  -9.191501      57.71195 -156.6167      
143.2437 19.37622       63.05615 16.67425 7.848150 15.32421 6.232711 1.350042 
10.02198 
1 1 1 -15 7   10 o 203.9447 3.582567  8832.071       269.8842 8708.961       
524.3947 8876.429       314.7722 202.6310 6.164154 205.2584 3.652720 -2.627426 
7.165134 
1 1 1 -15 7   11 o 117.6978 2.580496  2831.782       105.8758 3075.764       
229.4083 2765.750       119.3462 120.7080 4.526830 114.6877 2.478638 6.020332 
5.160991 
1 1 1 -15 7   12 o 77.93190 2.464941  1294.635       78.21749 1211.819       
124.8710 1348.111       100.3415 75.82201 3.922721 80.04180 2.985966 -4.219795 
4.929882 
1 1 1 -15 7   13 o 44.19318 3.648508  428.3347       64.65826 351.1204       
102.3742 479.5758       83.39722 40.70085 5.991120 47.68550 4.165684 -6.984650 
7.297016 
1 1 1 -15 7   14 o 83.50520 2.454059  1455.382       83.51028 1523.270       
136.9369 1415.183       105.3730 85.01040 3.836803 82.00000 3.060811 3.010399 
4.908118 
1 1 1 -15 7   15 o 109.4399 2.050710  2539.396       92.30520 2421.938       
144.1171 2621.095       120.1940 107.2480 3.200717 111.6318 2.564576 -4.383781 
4.101419 
1 1 1 -15 7   16 o 50.75459 3.255805  549.3507       68.01087 519.4007       
105.6465 570.5471       88.87659 49.52311 5.081222 51.98606 4.072129 -2.462955 
6.511609 
1 1 1 -15 7   17 o 195.1385 2.846112  8165.373       221.1482 7655.833       
371.6721 8444.637       275.1561 190.1408 4.655922 200.1363 3.274721 -9.995453 
5.692224 
1 1 1 -15 7   18 o 110.1409 2.531251  2586.760       114.3977 2437.692       
179.1457 2689.400       148.6533 107.3578 3.974603 112.9241 3.135516 -5.566269 
5.062502 
1 1 1 -15 7   19 o 92.58554 2.536022  1833.276       96.99638 1674.109       
147.1562 1955.554       128.9809 88.92283 3.941726 96.24825 3.191932 -7.325417 
5.072044 
1 1 1 -15 7   20 o 30.41518 4.994311  208.5721       61.80230 202.2377       
96.65714 212.9527       80.38000 29.92334 7.660899 30.90701 6.409619 
-0.9836655     9.988623 
1 1 1 -15 7   21 o 90.65981 2.260117  1779.042       83.02746 1563.242       
131.4222 1922.382       107.1097 85.87495 3.645218 95.44468 2.672994 -9.569733 
4.520233 
1 1 1 -15 7   22 o 113.1800 2.577932  2727.469       121.0709 2674.035       
184.8635 2767.602       160.2108 112.1010 3.927922 114.2591 3.339813 -2.158134 
5.155863 
1 1 1 -15 7   23 o 34.56646 5.588548  282.7184       78.40519 243.5174       
123.9725 308.8502       101.2190 32.18086 8.887920 36.95206 6.777340 -4.771198 
11.17710 
1 1 1 -15 7   24 o 58.47621 3.612075  744.4725       85.58617 729.7417       
139.7347 753.3165       108.2714 57.75589 5.762739 59.19652 4.356510 -1.440628 
7.224150 
1 1 1 -15 7   25 f 30.11935 5.062522  150.8307       74.02618 419.6414       
127.7611 14.97843       90.82569 43.12909 7.055852 17.10962 7.261643 26.01946 
10.12504 
1 1 1 -15 7   26 o 23.80555 6.497536  111.3085       91.74918 101.9867       
137.7729 118.7370       122.9881 23.66312 9.365771 23.94799 9.008563 
-0.2848721     12.99507 
1 1 1 -15 7   27 o 37.77324 10.82642  385.2625       180.5951 385.2625       
180.5951 0.000000       0.000000 37.77324 10.82642 ?        ?        ? ? 
1 1 1 -15 7   28 o 33.53460 6.438017  298.7125       92.31931 257.6841       
154.8430 321.3402       114.9928 30.96369 10.23912 36.10551 7.807216 -5.141825 
12.87603 
1 1 1 -15 7   29 o 55.72555 5.124030  776.0967       109.6672 570.2018       
165.7582 936.3848       146.2524 47.15953 8.698496 64.29156 5.418387 -17.13203 
10.24806 
1 1 1 -15 7   30 o 18.95447 5.962199  15.71209       96.20653 -17.09798      
144.4942 41.83987       128.9431 18.40599 8.391643 19.50294 8.471811 -1.096949 
11.92440 
1 1 1 -15 7   31 f 25.16794 6.651331  186.0319       98.54803 119.6248       
147.4611 239.6281       132.4760 22.26749 9.341587 28.06838 9.470776 -5.800894 
13.30266 
1 1 1 -15 8   1  o 141.3573 3.680586  4160.673       206.1451 4404.590       
360.9592 4042.610       251.1275 144.2471 5.960356 138.4675 4.319839 5.779572 
7.361172 
1 1 1 -15 8   2  f 37.99914 5.880577  309.2766       89.27515 371.5816       
145.9396 272.0196       112.8538 40.93731 8.747313 35.06096 7.861884 5.876347 
11.76115 
1 1 1 -15 8   3  o 150.7540 3.875439  4820.443       235.0025 4749.985       
391.7031 4860.066       293.7395 149.7336 6.231015 151.7743 4.609832 -2.040726 
7.750877 
1 1 1 -15 8   4  f 74.21591 3.812025  1155.201       116.7131 1212.705       
184.8590 1117.085       150.5030 75.69692 5.816791 72.73489 4.928597 2.962029 
7.624049 
1 1 1 -15 8   5  o 98.78831 3.698973  1991.439       116.2649 2173.408       
284.4149 1954.930       127.3954 101.1919 6.694643 96.38468 3.148234 4.807266 
7.397947 
1 1 1 -15 8   6  o 35.69585 5.721226  285.1662       78.69035 251.9100       
147.2441 298.4616       93.10061 33.85155 9.799764 37.54015 5.907144 -3.688599 
11.44245 
1 1 1 -15 8   7  o 213.2330 6.370610  9732.805       416.5739 9767.990       
1040.946 9726.095       454.5600 211.9326 11.69907 214.5333 5.046816 -2.600739 
12.74122 
1 1 1 -15 8   8  o 168.9288 3.595069  6071.127       190.2508 5973.280       
462.5795 6091.048       208.7209 167.7119 6.569670 170.1458 2.921904 -2.433868 
7.190138 
1 1 1 -15 8   9  o 87.20284 3.693880  1755.761       97.73376 1398.151       
233.4788 1831.736       107.6160 81.08943 6.858106 93.31624 2.746885 -12.22681 
7.387760 
1 1 1 -15 8   10 o 91.11269 2.609030  1741.216       92.38277 1770.120       
166.3002 1728.314       111.1031 91.59376 4.324621 90.63162 2.919898 0.9621353 
5.218060 
1 1 1 -15 8   11 o 97.55837 2.473949  1831.680       84.01038 2322.690       
188.6653 1710.243       93.82572 104.9296 4.282674 90.18713 2.477983 14.74248 
4.947898 
1 1 1 -15 8   12 o 108.8798 2.765770  2528.175       117.8999 2416.141       
206.0338 2582.723       143.7647 106.9812 4.587246 110.7785 3.091134 -3.797272 
5.531540 
1 1 1 -15 8   13 o 241.7452 3.670628  12383.67       340.2703 12296.33       
623.1882 12420.78       406.1594 240.7717 6.165025 242.7187 3.985789 -1.947021 
7.341256 
1 1 1 -15 8   14 o 60.46071 2.572599  755.5086       64.36951 856.7487       
101.9809 688.4632       82.99029 63.75172 3.810203 57.16970 3.457661 6.582016 
5.145198 
1 1 1 -15 8   15 o 99.25702 2.115672  2065.899       87.25810 2129.034       
134.2041 2019.663       114.8477 100.5474 3.179185 97.96659 2.792322 2.580849 
4.231345 
1 1 1 -15 8   16 o 167.6174 2.854731  5989.383       192.9452 5725.428       
317.2413 6144.340       243.0694 164.5112 4.593201 170.7236 3.391234 -6.212402 
5.709463 
1 1 1 -15 8   17 o 19.32861 5.152043  54.71524       59.45889 7.093274       
89.32253 92.60741       79.67684 17.10158 7.226850 21.55564 7.344850 -4.454056 
10.30409 
1 1 1 -15 8   18 o 86.08560 2.311497  1555.885       81.90209 1604.602       
130.1751 1523.964       105.3716 87.15276 3.557689 85.01845 2.952104 2.134308 
4.622993 
1 1 1 -15 8   19 o 151.6856 2.463234  4917.408       145.8599 4713.891       
256.3971 5014.785       177.3548 149.1399 4.094872 154.2313 2.738997 -5.091400 
4.926467 
1 1 1 -15 8   20 o 16.82859 5.010154  10.57806       60.47326 -20.93586      
95.17149 31.91772       78.31580 16.31009 7.180332 17.34710 6.989234 -1.037001 
10.02031 
1 1 1 -15 8   21 f 49.17676 3.215247  505.6513       65.38671 647.9077       
99.73531 398.4162       86.59271 55.16459 4.306353 43.18893 4.775622 11.97566 
6.430493 
1 1 1 -15 8   22 o 22.98476 6.093969  91.00478       79.08942 123.2555       
121.9988 67.62514       103.8734 24.96312 9.034731 21.00641 8.180432 3.956713 
12.18794 
1 1 1 -15 8   23 f 55.11682 3.731959  649.1263       84.80334 699.6604       
135.1631 616.3192       108.9058 56.73619 5.674390 53.49744 4.848853 3.238747 
7.463918 
1 1 1 -15 8   24 o 27.30014 6.008890  174.3461       75.86037 154.0870       
121.7435 187.2049       96.99211 26.32575 9.073544 28.27453 7.880218 -1.948780 
12.01778 
1 1 1 -15 8   25 f 32.96853 5.439608  282.2906       76.73893 142.3338       
129.7407 357.6015       95.17176 25.62842 9.312897 40.30863 5.623816 -14.68021 
10.87922 
1 1 1 -15 8   26 o 15.04239 4.951064  -70.80192      72.01369 -61.23485      
122.8547 -75.80981      88.88512 16.69656 7.660273 13.38822 6.274739 3.308341 
9.902127 
1 1 1 -15 8   27 f 35.90563 6.040382  332.9086       91.68356 243.1348       
148.0797 388.7171       116.7538 30.66717 10.01301 41.14409 6.759033 -10.47692 
12.08076 
1 1 1 -15 8   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 8   29 o 31.02259 6.409241  259.3475       99.32594 114.9307       
145.7871 384.4558       135.6918 23.47674 9.504084 38.56845 8.601504 -15.09171 
12.81848 
1 1 1 -15 8   30 o 39.63127 6.211704  422.2554       100.3979 429.0933       
148.8775 416.5520       135.9673 39.56191 9.140340 39.70063 8.413993 
-0.1387138     12.42341 
1 1 1 -15 8   31 o 46.22484 5.993119  598.7657       110.4343 438.3182       
161.1338 740.8871       151.6526 37.77610 10.00098 54.67357 6.606834 -16.89747 
11.98624 
1 1 1 -15 9   1  o 187.5231 4.646833  7491.595       362.5359 7253.662       
545.7933 7679.461       484.9833 184.6947 7.038738 190.3515 6.068642 -5.656799 
9.293667 
1 1 1 -15 9   2  o 16.23869 5.320051  -102.6392      86.41895 -193.4187      
142.1294 -49.39271      108.8518 15.80610 7.566751 16.67127 7.480377 
-0.8651705     10.64010 
1 1 1 -15 9   3  o 30.15193 6.348763  198.6165       83.81960 178.4582       
145.8964 208.5482       102.4071 29.61387 9.938920 30.68999 7.902219 -1.076117 
12.69753 
1 1 1 -15 9   4  f 62.59229 4.195918  833.7344       105.8753 816.5881       
175.2750 843.5850       132.8515 62.00048 6.733578 63.18410 5.008178 -1.183624 
8.391836 
1 1 1 -15 9   5  o 138.4240 3.899482  4259.947       190.8267 3670.112       
381.3681 4456.951       220.4027 131.3891 6.913630 145.4588 3.609092 -14.06972 
7.798963 
1 1 1 -15 9   6  o 129.8252 3.825008  3500.343       172.9241 3685.149       
372.1546 3449.455       195.2862 131.6903 6.731174 127.9602 3.635112 3.730103 
7.650016 
1 1 1 -15 9   7  o 180.1444 5.489008  6513.636       282.9516 7508.460       
795.8267 6369.680       302.7323 186.5039 10.16370 173.7849 4.149233 12.71899 
10.97802 
1 1 1 -15 9   8  o 44.55632 4.531322  501.4869       66.10102 299.2068       
125.7155 578.7784       77.71022 36.69380 8.346421 52.41884 3.531114 -15.72504 
9.062644 
1 1 1 -15 9   9  o 144.9900 4.175251  4278.754       146.6895 4676.181       
493.4817 4240.234       153.6340 147.9837 7.942886 141.9963 2.577100 5.987335 
8.350502 
1 1 1 -15 9   10 o 25.72848 5.850461  145.6227       68.77750 52.42657       
148.6765 170.9963       77.57726 23.63680 9.585896 27.82015 6.709857 -4.183352 
11.70092 
1 1 1 -15 9   11 o 134.6337 2.531294  3884.813       127.1058 3671.780       
240.7346 3967.156       149.6684 131.9199 4.346595 137.3476 2.595554 -5.427673 
5.062587 
1 1 1 -15 9   12 o 57.43721 2.842543  693.3376       67.62353 709.1382       
105.1015 682.1758       88.33670 57.97435 4.318113 56.90006 3.697852 1.074291 
5.685086 
1 1 1 -15 9   13 f 29.97663 4.900885  211.8669       62.72730 110.2777       
100.9006 275.8615       80.08326 23.84523 8.256354 36.10804 5.282736 -12.26281 
9.801769 
1 1 1 -15 9   14 o 127.2111 2.235581  3418.759       116.1402 3357.797       
186.5088 3457.370       148.4303 126.2354 3.519164 128.1868 2.758038 -1.951462 
4.471162 
1 1 1 -15 9   15 o 115.4996 2.475721  2795.864       117.1189 2885.677       
188.8587 2739.740       149.2929 116.9476 3.846510 114.0516 3.117875 2.895958 
4.951442 
1 1 1 -15 9   16 o 71.73199 2.738726  1104.682       81.06094 909.9645       
118.0155 1278.598       111.5339 65.59995 4.285056 77.86403 3.411859 -12.26408 
5.477452 
1 1 1 -15 9   17 o 125.4075 2.408701  3341.523       125.8748 3076.911       
184.8514 3570.310       171.8830 120.6977 3.647918 130.1173 3.146435 -9.419662 
4.817401 
1 1 1 -15 9   18 o 76.19579 2.271482  1226.312       72.07072 1218.427       
108.9157 1232.454       96.12518 75.95056 3.415706 76.44101 2.995241 
-0.4904480     4.542964 
1 1 1 -15 9   19 o 40.48726 3.597266  347.1287       59.80670 360.5522       
95.81967 338.5618       76.54794 41.06413 5.557931 39.91039 4.568447 1.153740 
7.194533 
1 1 1 -15 9   20 o 92.23178 2.314593  1812.759       88.05518 1718.977       
135.9629 1880.514       115.5663 90.09152 3.594657 94.37204 2.916815 -4.280518 
4.629186 
1 1 1 -15 9   21 o 145.3996 3.205915  4494.196       193.4731 4398.885       
253.9539 4626.035       298.6797 143.7340 4.208395 147.0652 4.837455 -3.331207 
6.411830 
1 1 1 -15 9   22 o 29.24511 6.129949  194.3107       79.89582 215.0050       
122.7872 179.1153       105.2164 30.48205 8.989343 28.00816 8.336475 2.473890 
12.25990 
1 1 1 -15 9   23 o 19.48532 5.442490  11.01560       73.10299 130.6900       
110.3123 -82.69418      97.61480 24.76479 8.627241 14.20586 6.637280 10.55893 
10.88498 
1 1 1 -15 9   24 o 17.06536 5.372783  -23.37500      76.76394 -39.68780      
120.1722 -12.13037      99.77283 17.37949 7.826166 16.75123 7.363307 0.6282597 
10.74557 
1 1 1 -15 9   25 f 105.0529 2.704927  2347.521       111.8558 2435.498       
197.1422 2305.753       135.8377 106.0900 4.426151 104.0159 3.110582 2.074104 
5.409855 
1 1 1 -15 9   26 o 39.86440 4.838142  348.4518       77.42103 449.5343       
128.8629 291.3550       96.84914 44.38446 6.915411 35.34435 6.768129 9.040112 
9.676285 
1 1 1 -15 9   27 o 20.84196 5.769220  79.94605       72.93771 63.03894       
115.9414 91.01953       93.83092 20.61093 8.428495 21.07299 7.880107 
-0.4620647     11.53844 
1 1 1 -15 9   28 o 63.48556 3.730142  905.4335       97.05939 887.1815       
153.5276 917.5848       125.2688 62.49271 5.851648 64.47840 4.627533 -1.985691 
7.460285 
1 1 1 -15 9   29 o 28.51760 9.423154  218.6095       131.1471 0.000000       
0.000000 218.6095       131.1471 ?        ?        28.51760 9.423154 ? ? 
1 1 1 -15 9   30 o 49.04996 5.766230  638.0626       109.2433 375.8141       
153.7283 905.5968       155.2699 36.02487 9.874279 62.07504 5.957873 -26.05017 
11.53246 
1 1 1 -15 9   31 o 29.63087 6.863760  277.3154       102.6610 206.2515       
152.4973 336.2138       138.8320 25.84060 9.942906 33.42115 9.464853 -7.580544 
13.72752 
1 1 1 -15 10  1  o 140.4721 4.028629  4224.520       234.0879 3865.827       
353.6985 4504.089       312.2609 134.9842 6.241246 145.9600 5.095711 -10.97581 
8.057259 
1 1 1 -15 10  2  o 59.94442 4.388513  750.3610       107.1512 810.6858       
177.0113 715.4715       134.6170 61.75021 6.827844 58.13863 5.515137 3.611584 
8.777026 
1 1 1 -15 10  3  o 42.96909 5.176879  365.7809       87.84790 547.5486       
151.8504 274.3447       107.7002 50.71937 7.131208 35.21882 7.506411 15.50055 
10.35376 
1 1 1 -15 10  4  o 265.4215 6.229168  15034.15       633.6030 15276.25       
1166.172 14932.75       754.7147 265.8009 10.45026 265.0421 6.782488 0.7588196 
12.45834 
1 1 1 -15 10  5  o 266.9576 7.793517  15168.32       604.9907 15867.69       
1622.738 15055.42       651.9976 267.3508 14.45732 266.5643 5.825927 0.7864990 
15.58703 
1 1 1 -15 10  6  o 22.47339 6.116309  25.75242       78.12405 167.3831       
148.6381 -28.30811      91.83150 29.09062 10.02587 15.85616 7.008488 13.23446 
12.23262 
1 1 1 -15 10  7  o 81.84488 3.430584  1251.185       95.44363 1708.149       
224.6684 1150.555       105.4302 89.77243 5.961013 73.91734 3.397346 15.85509 
6.861169 
1 1 1 -15 10  8  o 130.9622 3.300452  3552.896       126.3868 3718.370       
339.5459 3526.282       136.1716 132.4256 6.107276 129.4989 2.504619 2.926773 
6.600904 
1 1 1 -15 10  9  o 52.14168 5.193038  739.8553       79.10285 374.3167       
166.7800 845.9523       89.85223 40.89891 9.821903 63.38445 3.376503 -22.48554 
10.38608 
1 1 1 -15 10  10 o 85.25642 3.663272  1567.847       103.8394 1485.921       
231.7009 1588.438       116.1575 83.64361 6.598056 86.86922 3.184949 -3.225616 
7.326544 
1 1 1 -15 10  11 o 368.9869 7.775548  28427.95       933.4233 31329.10       
2211.137 27798.83       1029.669 376.3430 13.99436 361.6309 6.781926 14.71207 
15.55110 
1 1 1 -15 10  12 o 51.66920 3.403566  572.1240       70.31010 536.8647       
117.1837 591.9573       87.88757 50.35250 5.543283 52.98589 3.950830 -2.633381 
6.807132 
1 1 1 -15 10  13 f 173.3622 2.747067  6295.720       182.9872 6442.009       
336.6153 6234.355       218.0137 174.6263 4.591401 172.0980 3.017374 2.528336 
5.494134 
1 1 1 -15 10  14 o 137.8802 2.738245  4007.754       153.1054 4022.106       
251.6348 3999.318       192.9258 137.9874 4.343624 137.7729 3.335397 0.2144928 
5.476490 
1 1 1 -15 10  15 o 99.41167 2.610282  2102.618       106.3401 2001.772       
167.6684 2170.480       137.5421 97.34055 4.102782 101.4828 3.228229 -4.142250 
5.220564 
1 1 1 -15 10  16 o 86.19449 2.344007  1565.170       81.57756 1573.950       
135.5322 1560.182       102.1549 86.32778 3.739495 86.06120 2.827307 0.2665787 
4.688015 
1 1 1 -15 10  17 o 69.01138 2.824923  1002.730       80.43063 1034.391       
126.8925 981.4672       103.9884 69.87025 4.325784 68.15250 3.634330 1.717758 
5.649846 
1 1 1 -15 10  18 o 42.58466 3.413671  377.1321       60.35183 454.1559       
93.82919 322.7792       78.82016 46.21023 4.836386 38.95908 4.818919 7.251148 
6.827343 
1 1 1 -15 10  19 o 106.9836 2.555969  2435.698       112.7547 2349.253       
175.1538 2496.875       147.3457 105.2647 3.963310 108.7025 3.228636 -3.437843 
5.111938 
1 1 1 -15 10  20 o 79.75002 2.997646  1371.583       98.49927 1234.623       
149.8919 1475.676       130.6750 76.08008 4.692759 83.41994 3.731159 -7.339867 
5.995293 
1 1 1 -15 10  21 o 71.97890 3.617840  1108.573       109.0051 1155.107       
161.6651 1069.780       147.6055 73.31715 5.252085 70.64065 4.977014 2.676506 
7.235680 
1 1 1 -15 10  22 o 61.31273 3.598751  802.9202       90.55508 842.8422       
145.5835 777.7269       115.6506 62.39383 5.557656 60.23163 4.573454 2.162193 
7.197502 
1 1 1 -15 10  23 o 98.52199 3.129893  2088.483       125.8665 2071.537       
202.6097 2099.133       160.6196 97.92542 4.928172 99.11855 3.859799 -1.193138 
6.259787 
1 1 1 -15 10  24 o 52.90012 3.842710  603.8597       83.84890 653.6641       
133.4935 571.4074       107.7579 54.51881 5.832235 51.28143 5.005069 3.237381 
7.685420 
1 1 1 -15 10  25 o 47.79635 4.220440  478.5104       82.00651 634.2434       
138.8055 395.0053       101.6420 53.32641 6.199912 42.26629 5.727962 11.06012 
8.440880 
1 1 1 -15 10  26 o 35.59502 5.620792  306.8904       78.71636 302.3977       
134.5764 309.2269       97.04992 34.70184 9.118063 36.48820 6.575266 -1.786369 
11.24158 
1 1 1 -15 10  27 o 16.39485 5.260759  -33.15901      75.31145 -24.50553      
126.1609 -37.94984      93.87174 17.83099 8.024729 14.95872 6.804857 2.872272 
10.52152 
1 1 1 -15 10  28 o 17.14847 5.329730  -4.852513      75.40839 35.59523       
107.6756 -43.78588      105.6407 18.69351 7.918835 15.60343 7.135555 3.090086 
10.65946 
1 1 1 -15 10  29 o 34.52905 5.833683  308.3417       83.49953 288.2424       
120.8582 326.6973       115.4965 33.13002 8.611218 35.92807 7.872379 -2.798050 
11.66737 
1 1 1 -15 10  30 o 39.84654 6.099801  445.9157       106.5322 228.9794       
151.8454 656.2037       149.5005 27.87181 10.08027 51.82127 6.871567 -23.94946 
12.19960 
1 1 1 -15 10  31 o 39.53672 5.882429  463.1509       107.0323 173.5988       
153.0160 740.5452       149.7691 24.37899 9.791405 54.69446 6.522289 -30.31547 
11.76486 
1 1 1 -15 11  1  o 92.31097 3.986614  1837.130       146.7606 1693.471       
244.5887 1917.951       183.4560 89.30622 6.523427 95.31573 4.584462 -6.009514 
7.973229 
1 1 1 -15 11  2  o 148.6149 5.238972  4541.790       289.0624 5060.336       
573.1176 4364.872       334.7611 153.6291 8.885693 143.6007 5.552638 10.02838 
10.47794 
1 1 1 -15 11  3  o 128.2865 4.140596  3593.379       209.4645 3154.874       
351.9174 3833.963       260.6671 121.8148 6.881160 134.7581 4.607364 -12.94329 
8.281193 
1 1 1 -15 11  4  o 207.9696 5.081968  9033.615       391.5273 9576.976       
770.1363 8844.232       454.6676 211.4528 8.675115 204.4863 5.296034 6.966492 
10.16394 
1 1 1 -15 11  5  o 143.7144 3.472219  4352.684       185.7801 4388.010       
358.5989 4339.725       217.2011 143.8975 5.935765 143.5312 3.604432 0.3663483 
6.944439 
1 1 1 -15 11  6  o 138.3785 3.467798  4044.812       161.1238 4047.024       
359.9194 4044.257       180.1875 138.1342 6.206192 138.6228 3.096073 
-0.4886322     6.935596 
1 1 1 -15 11  7  o 118.1761 3.690243  2822.744       136.1324 3152.525       
342.9053 2761.043       148.3215 121.8123 6.705082 114.5398 3.084387 7.272499 
7.380486 
1 1 1 -15 11  8  o 216.2171 6.303121  9900.387       363.9417 10184.87       
1076.929 9863.708       386.6922 216.1953 11.86484 216.2388 4.259443 
-0.4348755E-01 12.60624 
1 1 1 -15 11  9  o 72.68086 3.682650  1026.617       93.37711 1284.667       
208.3432 961.7527       104.4558 77.79921 6.378599 67.56252 3.682543 10.23669 
7.365300 
1 1 1 -15 11  10 o 76.47568 3.737234  1212.698       86.85499 1273.301       
222.7875 1201.836       94.31779 77.37859 6.857900 75.57276 2.972688 1.805824 
7.474467 
1 1 1 -15 11  11 o 132.0208 2.906396  3633.978       148.2583 3785.444       
271.2179 3569.431       177.0528 133.8388 4.826778 130.2027 3.238946 3.636093 
5.812793 
1 1 1 -15 11  12 o 195.2734 3.822806  8042.396       289.3937 8163.269       
522.7258 7988.974       347.5089 195.9989 6.352450 194.5479 4.254617 1.451035 
7.645612 
1 1 1 -15 11  13 o 95.08330 2.689399  1807.202       99.27133 2169.511       
185.4534 1661.695       117.5270 101.3417 4.358809 88.82491 3.151548 12.51677 
5.378798 
1 1 1 -15 11  14 o 91.95908 2.422379  1764.125       91.93747 1882.789       
145.8847 1685.947       118.4109 94.46633 3.678356 89.45181 3.152996 5.014519 
4.844759 
1 1 1 -15 11  15 o 239.4485 2.747437  12127.90       241.8917 12080.68       
474.6072 12144.47       281.1479 238.7644 4.734627 240.1325 2.788720 -1.368027 
5.494875 
1 1 1 -15 11  16 o 73.46300 2.729579  1123.627       82.94881 1239.808       
131.2562 1046.374       107.0307 76.54527 4.084346 70.38071 3.622227 6.164558 
5.459159 
1 1 1 -15 11  17 o 68.00107 2.509927  980.0728       70.54395 961.0777       
109.2690 993.6481       92.37408 67.39220 3.861966 68.60993 3.206891 -1.217728 
5.019854 
1 1 1 -15 11  18 o 60.92439 2.681445  779.7748       67.60257 821.4258       
106.0383 751.2538       87.74702 62.24633 4.057608 59.60246 3.506625 2.643875 
5.362891 
1 1 1 -15 11  19 o 33.15738 5.105522  248.5449       69.10574 226.6899       
99.75906 268.7083       95.82046 31.63475 7.595726 34.68000 6.824247 -3.045254 
10.21104 
1 1 1 -15 11  20 o 78.68011 3.341089  1323.425       110.2591 1284.694       
157.8193 1360.356       154.1069 77.51847 4.849265 79.84177 4.597406 -2.323296 
6.682179 
1 1 1 -15 11  21 o 75.56280 3.347178  1222.885       104.7209 1225.848       
162.0609 1220.760       137.2161 75.51446 5.111744 75.61114 4.322553 
-0.9667969E-01 6.694355 
1 1 1 -15 11  22 o 24.35514 5.877400  127.0206       71.89981 128.9621       
107.9084 125.4705       96.42178 24.64041 8.537621 24.06986 8.079872 0.5705509 
11.75480 
1 1 1 -15 11  23 o 58.80985 3.821923  740.2368       93.25050 834.5823       
146.1284 675.4235       121.1172 61.82952 5.629372 55.79019 5.170933 6.039326 
7.643846 
1 1 1 -15 11  24 o 41.49186 4.926856  390.2252       82.32285 400.4838       
129.2853 383.2292       106.7648 41.38226 7.728473 41.60147 6.112803 
-0.2192154     9.853712 
1 1 1 -15 11  25 o 20.79506 5.777252  62.42476       69.34408 116.3618       
124.9593 38.42365       83.35678 23.94544 9.061096 17.64467 7.169595 6.300766 
11.55450 
1 1 1 -15 11  26 o 28.38732 5.971624  175.0064       78.28633 304.6014       
128.7448 98.97538       98.61224 34.93674 8.780643 21.83790 8.095768 13.09884 
11.94325 
1 1 1 -15 11  27 o 22.69068 5.838458  112.5036       77.38535 17.98084       
129.6130 164.8620       96.46588 19.44783 8.471436 25.93352 8.036488 -6.485691 
11.67692 
1 1 1 -15 11  28 o 15.85348 5.130772  -50.85041      77.10060 -6.089469      
116.3742 -85.86825      102.9323 17.58272 7.815714 14.12425 6.649352 3.458472 
10.26154 
1 1 1 -15 11  29 f 22.13549 5.782091  92.46181       78.73436 197.2059       
113.4578 -4.835363      109.3502 27.31289 8.754266 16.95808 7.555999 10.35481 
11.56418 
1 1 1 -15 11  30 f 26.25180 6.154800  188.6894       80.27512 233.3419       
116.0858 147.7690       111.1287 28.85195 8.790882 23.65166 8.616650 5.200283 
12.30960 
1 1 1 -15 11  31 o 21.26537 6.330534  94.48179       99.83996 19.53133       
146.1875 160.0016       136.6814 18.81094 8.539808 23.71979 9.347424 -4.908848 
12.66107 
1 1 1 -15 12  1  o 27.84545 6.632253  157.9790       93.28394 99.12800       
149.6766 195.3564       119.2839 25.73385 9.864281 29.95704 8.868094 -4.223188 
13.26451 
1 1 1 -15 12  2  o 252.1999 7.670331  14037.10       743.9240 13090.50       
1327.961 14470.04       898.0712 244.2255 12.95136 260.1743 8.221809 -15.94882 
15.34066 
1 1 1 -15 12  3  o 116.9873 4.374632  2957.697       206.5025 2688.093       
333.7880 3124.871       262.8410 112.4018 7.073241 121.5729 5.149647 -9.171051 
8.749264 
1 1 1 -15 12  4  o 207.4920 6.220543  9300.354       469.3919 9074.856       
928.8729 9377.686       543.9555 204.7032 10.80818 210.2809 6.161475 -5.577667 
12.44109 
1 1 1 -15 12  5  o 79.02779 3.970227  1307.641       115.1379 1352.542       
228.6337 1292.385       133.2704 79.76605 6.827209 78.28952 4.054630 1.476532 
7.940454 
1 1 1 -15 12  6  o 111.9294 3.701029  2726.068       149.2931 2498.676       
295.2608 2804.172       173.0433 108.4809 6.482964 115.3779 3.572344 -6.897018 
7.402058 
1 1 1 -15 12  7  o 71.86800 3.704748  937.8744       95.81331 1411.893       
210.8989 814.5936       107.5534 81.58720 6.157060 62.14879 4.122043 19.43841 
7.409496 
1 1 1 -15 12  8  o 113.6751 4.082030  2444.795       134.2951 3164.748       
383.3698 2344.091       143.3801 121.8319 7.495106 105.5183 3.236550 16.31364 
8.164060 
1 1 1 -15 12  9  o 92.72097 3.706245  1932.994       105.1968 1653.529       
253.5664 1991.094       115.6159 88.16196 6.850647 97.27998 2.830839 -9.118011 
7.412490 
1 1 1 -15 12  10 o 174.8573 5.410934  6203.837       268.4806 6988.183       
758.2376 6091.402       287.0795 179.7766 10.04600 169.9380 4.023765 9.838531 
10.82187 
1 1 1 -15 12  11 o 190.5814 3.272940  7609.723       229.3556 7813.495       
453.3802 7539.640       265.8874 191.9774 5.625143 189.1854 3.347582 2.791946 
6.545880 
1 1 1 -15 12  12 o 115.0205 2.303822  2802.719       104.6664 2741.185       
180.9444 2833.661       128.3114 113.9942 3.780799 116.0469 2.633619 -2.052734 
4.607645 
1 1 1 -15 12  13 o 36.49315 3.858083  269.1853       56.07680 378.5945       
93.13464 206.9642       70.23495 42.24742 5.250881 30.73888 5.653978 11.50854 
7.716166 
1 1 1 -15 12  14 o 32.49871 4.673186  210.3033       65.19907 417.4283       
104.2799 77.36935       83.54150 44.29945 5.606906 20.69797 7.477786 23.60148 
9.346373 
1 1 1 -15 12  15 o 76.86772 2.601522  1244.172       81.71808 1266.189       
132.1521 1230.541       103.9813 77.36182 4.068819 76.37363 3.242896 0.9881973 
5.203043 
1 1 1 -15 12  16 o 31.54134 4.421268  211.9685       55.31845 262.9881       
90.36559 181.3903       69.95856 34.48338 6.480280 28.59930 6.016346 5.884083 
8.842536 
1 1 1 -15 12  17 o 30.02670 5.233579  198.4454       64.83203 231.7153       
101.9160 175.8311       84.02496 32.05788 7.664834 27.99552 7.128233 4.062359 
10.46716 
1 1 1 -15 12  18 o 78.59364 2.552214  1325.485       82.77074 1190.623       
125.2833 1429.945       110.2614 74.92555 3.982761 82.26173 3.192615 -7.336174 
5.104427 
1 1 1 -15 12  19 o 101.3107 3.257130  2175.650       137.8427 2310.563       
207.7259 2069.500       184.2557 104.0494 4.755234 98.57203 4.452341 5.477417 
6.514260 
1 1 1 -15 12  20 o 22.28162 6.221748  60.38341       88.71500 121.0979       
126.7150 2.012567       124.2453 25.09823 9.195464 19.46501 8.383557 5.633219 
12.44350 
1 1 1 -15 12  21 o 18.96081 5.868074  -13.24855      89.26631 -28.58849      
127.9991 1.276902       124.5546 18.55780 8.229258 19.36382 8.367585 
-0.8060265     11.73615 
1 1 1 -15 12  22 o 99.36210 3.172681  2123.011       131.1068 2105.162       
198.9355 2136.716       174.3195 98.83152 4.794441 99.89268 4.156555 -1.061157 
6.345361 
1 1 1 -15 12  23 o 126.8569 2.754612  3422.164       143.4369 3563.772       
230.1499 3332.227       183.4144 128.7410 4.258091 124.9727 3.495741 3.768288 
5.509224 
1 1 1 -15 12  24 o 49.81561 4.168125  545.8836       85.74230 566.1697       
134.7832 532.0934       111.1277 50.37383 6.373116 49.25739 5.373682 1.116432 
8.336249 
1 1 1 -15 12  25 o 31.51215 6.006027  238.2459       79.91061 272.4299       
127.4970 216.1291       102.5535 33.13623 8.952635 29.88807 8.008730 3.248161 
12.01205 
1 1 1 -15 12  26 o 59.92104 3.553730  785.7178       87.33485 822.3224       
140.4093 762.6196       111.5365 60.76047 5.504220 59.08162 4.496615 1.678856 
7.107460 
1 1 1 -15 12  27 o 17.38733 5.332560  12.98377       71.12771 -56.73090      
129.7413 42.94026       85.04749 17.03948 7.840398 17.73517 7.230002 
-0.6956978     10.66512 
1 1 1 -15 12  28 o 15.70135 5.106855  -45.84202      72.68783 -15.44376      
124.7639 -61.46173      89.43366 17.75830 7.986754 13.64439 6.366446 4.113909 
10.21371 
1 1 1 -15 12  29 o 33.54073 5.423066  284.2845       74.34982 303.2479       
112.0760 269.3796       99.36147 34.36618 7.924395 32.71528 7.405574 1.650898 
10.84613 
1 1 1 -15 12  30 o 23.25248 6.081274  142.6163       79.72080 112.1040       
114.9312 170.9099       110.6737 21.63158 8.556586 24.87338 8.643633 -3.241800 
12.16255 
1 1 1 -15 12  31 o 39.49770 5.254117  410.3316       83.92765 394.3242       
118.2116 426.6017       119.1775 38.55723 7.572450 40.43816 7.285668 -1.880932 
10.50823 
1 1 1 -15 13  1  o 59.41355 4.383839  764.4429       106.2638 674.7783       
165.3978 827.4698       138.6699 56.29633 6.997945 62.53077 5.282134 -6.234436 
8.767677 
1 1 1 -15 13  2  o 119.8806 4.082574  3034.354       193.7539 3080.211       
336.3924 3011.589       237.0175 120.3680 6.656654 119.3931 4.728488 0.9749680 
8.165149 
1 1 1 -15 13  3  o 98.31311 3.961895  2018.981       151.6523 2122.771       
274.1027 1973.195       182.0549 99.95155 6.531981 96.67468 4.485498 3.276863 
7.923791 
1 1 1 -15 13  4  o 28.02145 6.627349  152.2224       88.11658 193.7555       
150.9575 130.7572       108.5238 30.56900 10.10984 25.47390 8.571944 5.095102 
13.25470 
1 1 1 -15 13  5  o 157.8267 4.842653  5172.152       249.0478 5505.091       
586.4871 5098.910       275.0813 160.1977 8.720134 155.4557 4.214785 4.742004 
9.685306 
1 1 1 -15 13  6  o 117.7576 3.733012  2679.264       130.2202 3310.416       
357.8925 2582.957       139.8028 124.7345 6.834190 110.7807 3.005888 13.95380 
7.466024 
1 1 1 -15 13  7  o 188.5860 4.102046  7397.229       229.1719 7744.708       
605.4653 7339.122       247.5930 190.4668 7.571658 186.7052 3.158661 3.761627 
8.204093 
1 1 1 -15 13  8  o 95.52348 2.861928  1767.278       91.11755 2192.796       
216.1351 1675.306       100.4833 101.8096 5.056590 89.23740 2.682058 12.57217 
5.723856 
1 1 1 -15 13  9  o 55.15837 4.385993  616.2274       82.67894 699.7343       
185.7011 595.5815       92.33556 57.19543 7.733464 53.12130 4.140200 4.074131 
8.771985 
1 1 1 -15 13  10 o 109.4465 3.590837  2454.903       115.9448 2653.237       
310.3594 2422.733       124.9948 111.6017 6.623920 107.2913 2.774907 4.310402 
7.181673 
1 1 1 -15 13  11 o 132.9759 2.853607  3627.239       145.7149 3997.984       
272.9203 3479.417       172.3332 137.4461 4.729600 128.5057 3.194241 8.940384 
5.707214 
1 1 1 -15 13  12 o 64.20140 2.700720  849.3525       70.87243 959.7623       
116.8974 785.1809       89.11945 67.38985 4.131726 61.01296 3.479136 6.376884 
5.401440 
1 1 1 -15 13  13 o 42.33394 3.987809  373.6400       69.04623 415.1704       
113.3640 349.1482       87.05659 44.11451 6.120892 40.55337 5.113235 3.561138 
7.975618 
1 1 1 -15 13  14 o 46.68483 3.639570  478.7147       68.77230 387.3518       
105.7153 545.7495       90.55305 42.60065 5.910750 50.76901 4.248401 -8.168358 
7.279140 
1 1 1 -15 13  15 o 114.2067 2.016839  2766.667       93.57435 2681.201       
151.7370 2819.118       118.8687 112.7101 3.206635 115.7033 2.447050 -2.993179 
4.033679 
1 1 1 -15 13  16 o 19.66580 5.333749  46.57056       62.92680 101.4927       
97.62896 7.537203       82.30440 22.90944 8.102801 16.42216 6.938307 6.487284 
10.66750 
1 1 1 -15 13  17 o 107.7868 2.058853  2430.033       90.65604 2545.641       
147.7089 2360.168       114.8269 109.7638 3.205299 105.8098 2.584871 3.954048 
4.117706 
1 1 1 -15 13  18 o 88.49451 3.355051  1659.632       123.8826 1763.656       
187.9125 1579.666       164.7556 90.87718 4.925178 86.11185 4.557202 4.765335 
6.710102 
1 1 1 -15 13  19 o 98.95612 3.272192  2092.699       135.6911 2066.825       
197.2846 2115.927       186.9266 98.31885 4.779444 99.59338 4.470557 -1.274536 
6.544384 
1 1 1 -15 13  20 o 27.02349 6.151958  139.9988       90.85900 4.996265       
128.9929 272.9331       128.0009 19.85706 8.547206 34.18993 8.850516 -14.33287 
12.30392 
1 1 1 -15 13  21 o 106.6045 3.477116  2462.060       154.2675 2321.898       
229.7205 2577.189       208.1984 103.6166 5.280702 109.5925 4.524990 -5.975937 
6.954232 
1 1 1 -15 13  22 o 81.91231 3.303910  1443.373       113.2339 1616.333       
164.1476 1286.341       156.4066 86.65661 4.511843 77.16801 4.827685 9.488594 
6.607819 
1 1 1 -15 13  23 o 107.7469 2.841430  2493.601       126.9130 2492.246       
195.4048 2494.590       166.9090 107.5262 4.328547 107.9677 3.682197 
-0.4415588     5.682860 
1 1 1 -15 13  24 o 33.85045 5.849721  280.5851       82.06974 248.9317       
127.2715 303.1158       107.3765 31.80114 9.080246 35.89976 7.377405 -4.098616 
11.69944 
1 1 1 -15 13  25 o 26.85161 5.469466  176.9362       79.17063 -5.351052      
129.2264 286.4677       100.1711 18.85761 8.327243 34.84562 7.093467 -15.98800 
10.93893 
1 1 1 -15 13  26 o 31.12732 6.099153  238.9201       80.70623 266.2350       
131.2062 222.2950       102.3617 32.22519 9.225342 30.02945 7.980710 2.195744 
12.19831 
1 1 1 -15 13  27 o 81.04475 3.279740  1389.984       106.7838 1657.829       
185.2758 1256.756       130.6699 86.21957 5.118395 75.86993 4.102294 10.34964 
6.559480 
1 1 1 -15 13  28 o 23.21790 6.133824  126.0237       80.11304 111.8943       
126.4431 135.4998       103.5495 22.82153 8.991446 23.61426 8.345603 
-0.7927265     12.26765 
1 1 1 -15 13  29 o 18.47708 5.594741  34.08054       78.27270 69.21008       
112.1375 0.7030355      109.3054 19.94475 8.242558 17.00942 7.567347 2.935333 
11.18948 
1 1 1 -15 13  30 o 20.50581 5.795981  85.58769       80.22386 11.83207       
116.4298 152.2563       110.6947 17.39482 7.772381 23.61679 8.600215 -6.221975 
11.59196 
1 1 1 -15 14  1  o 87.37254 3.695429  1573.296       131.4199 1794.826       
219.5823 1449.655       164.0446 91.95901 5.687535 82.78609 4.719823 9.172920 
7.390858 
1 1 1 -15 14  2  o 57.87718 4.539770  721.0511       106.3865 679.9947       
172.4228 746.2897       135.1873 56.41953 7.279245 59.33483 5.426844 -2.915298 
9.079539 
1 1 1 -15 14  3  o 78.32669 3.885932  1268.842       116.0775 1377.054       
219.1480 1226.643       136.8516 80.43948 6.489172 76.21391 4.276975 4.225578 
7.771863 
1 1 1 -15 14  4  o 58.76476 4.386354  750.2033       100.4808 688.7061       
174.8245 780.5397       122.7881 56.78137 7.333603 60.74814 4.814424 -3.966766 
8.772708 
1 1 1 -15 14  5  o 172.1578 4.293340  6112.383       226.3328 6572.446       
577.8392 6029.009       245.9877 175.1767 7.856912 169.1389 3.464104 6.037750 
8.586680 
1 1 1 -15 14  6  o 94.60468 3.509898  1701.271       113.1989 2238.978       
263.4582 1579.528       125.3604 102.6373 6.114031 86.57208 3.449082 16.06520 
7.019796 
1 1 1 -15 14  7  o 133.2632 4.315676  3526.198       186.1438 4181.057       
453.5647 3393.559       204.1263 139.7003 7.733266 126.8260 3.833643 12.87431 
8.631351 
1 1 1 -15 14  8  o 123.4737 4.058083  2987.571       144.7446 3598.268       
407.2262 2899.260       154.8569 129.6327 7.482422 117.3147 3.144122 12.31805 
8.116166 
1 1 1 -15 14  9  o 185.2910 4.089110  6822.839       163.0593 7873.906       
632.1420 6747.919       168.7706 191.4597 7.864267 179.1222 2.244236 12.33749 
8.178220 
1 1 1 -15 14  10 o 55.62994 4.197011  643.3797       83.59496 688.5817       
173.4364 629.7007       95.40892 56.67775 7.288676 54.58213 4.163509 2.095619 
8.394022 
1 1 1 -15 14  11 o 156.9634 3.207741  5232.180       196.9185 5175.477       
347.7397 5258.946       238.9173 156.0841 5.306604 157.8427 3.605323 -1.758636 
6.415482 
1 1 1 -15 14  12 o 93.24902 2.267549  1807.703       85.00215 1923.967       
144.5253 1746.216       105.1026 95.45025 3.606516 91.04781 2.749573 4.402443 
4.535097 
1 1 1 -15 14  13 o 108.2290 2.614489  2370.064       109.6582 2750.423       
204.1961 2215.915       129.9935 113.9484 4.268352 102.5097 3.020494 11.43873 
5.228978 
1 1 1 -15 14  14 f 22.31293 5.273166  103.1797       58.27264 77.21923       
92.69440 120.1437       74.93084 21.15676 7.847925 23.46910 7.045225 -2.312349 
10.54633 
1 1 1 -15 14  15 o 66.19729 2.849072  937.6583       78.24843 854.7132       
116.7065 1005.394       105.4653 63.45518 4.380756 68.93940 3.643873 -5.484219 
5.698143 
1 1 1 -15 14  16 o 67.99207 2.466042  959.2115       69.21899 1078.632       
110.5834 882.2792       88.75731 71.37358 3.690400 64.61054 3.272064 6.763039 
4.932085 
1 1 1 -15 14  17 o 73.30650 3.741137  1139.788       113.7748 1217.398       
177.1977 1085.349       148.4074 75.32376 5.603342 71.28925 4.958525 4.034515 
7.482273 
1 1 1 -15 14  18 o 40.50302 5.489732  403.3893       92.43942 135.3944       
134.1907 645.4104       127.5222 26.22029 9.476835 54.78576 5.544205 -28.56547 
10.97946 
1 1 1 -15 14  19 o 71.39079 3.344665  1089.251       100.0962 1131.337       
146.5184 1052.418       137.0686 72.65919 4.803110 70.12239 4.655885 2.536804 
6.689330 
1 1 1 -15 14  20 f 44.76745 4.978033  442.2669       93.55993 439.9364       
131.7915 444.6347       132.8422 44.65157 7.030264 44.88332 7.049725 
-0.2317467     9.956065 
1 1 1 -15 14  21 o 81.73430 3.720475  1448.725       127.5046 1441.891       
184.7389 1454.942       176.2012 81.48069 5.400385 81.98792 5.118942 
-0.5072250     7.440949 
1 1 1 -15 14  22 f 78.83746 3.416473  1349.158       112.4248 1311.054       
166.7502 1380.912       152.2259 77.66962 5.113711 80.00529 4.532011 -2.335670 
6.832947 
1 1 1 -15 14  23 o 91.77040 3.079475  1814.433       118.3340 1887.061       
175.0259 1753.283       160.6021 93.39130 4.463927 90.14951 4.243350 3.241798 
6.158950 
1 1 1 -15 14  24 o 33.85502 5.436743  269.0669       75.12233 318.1471       
115.5425 233.1271       98.87273 36.49231 7.772750 31.21773 7.603752 5.274572 
10.87349 
1 1 1 -15 14  25 o 55.04087 3.483176  668.1874       79.35640 653.9127       
121.9532 678.6706       104.5092 54.30481 5.349040 55.77694 4.462939 -1.472122 
6.966352 
1 1 1 -15 14  26 o 16.21423 5.013605  -25.93101      66.32924 56.82962       
104.1656 -82.37433      86.02386 19.61674 7.999994 12.81172 6.045250 6.805024 
10.02721 
1 1 1 -15 14  27 o 82.46668 2.821408  1480.855       94.67534 1498.527       
154.2282 1470.170       119.9316 82.47243 4.454267 82.46094 3.464229 
0.1148987E-01  5.642816 
1 1 1 -15 14  28 f 32.77858 5.330759  281.1396       73.06770 202.1034       
117.1385 331.4784       93.48402 27.63509 8.898915 37.92206 5.871736 -10.28697 
10.66152 
1 1 1 -15 14  29 o 16.63658 5.291838  -16.80226      79.37087 -69.79465      
113.2870 34.28852       111.2358 15.00624 7.042179 18.26693 7.900754 -3.260693 
10.58368 
1 1 1 -15 14  30 o 54.14807 4.066584  726.4688       87.26170 535.7800       
132.0879 874.1429       116.2392 46.27837 6.798387 62.01777 4.464342 -15.73940 
8.133167 
1 1 1 -15 15  1  o 93.30385 4.095472  1891.551       154.0563 1704.065       
248.6937 2008.293       196.2433 89.27043 6.635571 97.33727 4.802163 -8.066833 
8.190944 
1 1 1 -15 15  2  o 36.87035 6.308914  306.3392       93.04523 297.6686       
159.6890 310.7958       114.4873 36.33378 10.10640 37.40691 7.554482 -1.073135 
12.61783 
1 1 1 -15 15  3  o 107.6687 3.981630  2394.898       164.1127 2635.527       
308.6882 2300.087       193.7652 111.0723 6.619653 104.2651 4.426476 6.807281 
7.963259 
1 1 1 -15 15  4  o 35.94924 5.758245  333.6786       90.73884 88.11376       
155.9961 459.2507       111.5520 25.42730 9.996923 46.47118 5.717610 -21.04388 
11.51649 
1 1 1 -15 15  5  o 130.9187 3.323849  3526.068       153.9825 3824.934       
326.2514 3440.412       174.6602 134.0874 5.795426 127.7500 3.256522 6.337387 
6.647699 
1 1 1 -15 15  6  o 26.77699 6.285884  145.3147       73.59428 135.7885       
156.6489 148.0128       83.36737 27.63489 10.21189 25.91910 7.332571 1.715792 
12.57177 
1 1 1 -15 15  7  f 42.42116 5.611812  435.0430       83.91002 314.6170       
161.8033 479.3445       98.13791 37.29414 10.08966 47.54818 4.916137 -10.25404 
11.22362 
1 1 1 -15 15  8  o 160.2029 4.212348  5246.816       206.7758 5804.309       
530.6860 5147.029       224.5201 164.2115 7.697594 156.1943 3.423821 8.017212 
8.424696 
1 1 1 -15 15  9  o 122.7452 3.943693  3155.129       152.0449 3285.555       
373.0497 3129.147       166.5018 123.6866 7.183980 121.8038 3.255961 1.882774 
7.887386 
1 1 1 -15 15  10 o 66.50011 3.321828  876.8989       83.82708 1082.942       
163.8543 803.8533       97.56109 71.32415 5.471954 61.67606 3.767741 9.648090 
6.643655 
1 1 1 -15 15  11 o 66.56113 2.752632  950.0390       74.71825 878.0678       
118.2877 997.8206       96.38068 64.36843 4.377112 68.75381 3.338984 -4.385384 
5.505263 
1 1 1 -15 15  12 o 45.26844 3.460004  438.6710       63.93998 422.0297       
102.1218 449.4012       82.00263 44.48678 5.467749 46.05010 4.241488 -1.563324 
6.920007 
1 1 1 -15 15  13 o 92.49115 2.724282  1824.743       101.2370 1761.254       
168.2189 1860.795       126.7626 91.10397 4.398035 93.87833 3.216229 -2.774361 
5.448564 
1 1 1 -15 15  14 f 27.73249 5.171522  170.0803       59.56268 182.1786       
98.10729 163.0178       74.95820 28.48260 7.921210 26.98239 6.650789 1.500212 
10.34304 
1 1 1 -15 15  15 f 80.20976 2.517384  1355.997       83.42410 1393.384       
130.8894 1330.418       108.2638 81.08222 3.845031 79.33730 3.250325 1.744919 
5.034767 
1 1 1 -15 15  16 f 65.22281 3.825897  903.7319       104.2658 1031.620       
155.4376 799.1142       140.5867 69.39988 5.334802 61.04574 5.485419 8.354137 
7.651793 
1 1 1 -15 15  17 o 56.51056 4.079159  696.5948       95.39040 580.9869       
137.6086 803.5353       132.3497 51.79214 6.328532 61.22898 5.148576 -9.436848 
8.158318 
1 1 1 -15 15  18 o 71.37497 3.553254  1101.505       105.1366 1035.852       
158.9394 1152.582       140.1905 69.32750 5.460684 73.42243 4.547899 -4.094933 
7.106508 
1 1 1 -15 15  19 o 35.48495 5.702812  290.0665       83.40845 349.9645       
121.4167 236.5397       114.7778 39.11055 7.667820 31.85936 8.443506 7.251188 
11.40562 
1 1 1 -15 15  20 f 113.1385 3.266108  2758.889       154.6082 2667.337       
225.8142 2839.677       212.1253 111.2380 4.835253 115.0391 4.392059 -3.801125 
6.532217 
1 1 1 -15 15  21 o 101.0516 3.199000  2201.926       135.5856 2096.326       
191.9899 2306.994       191.5050 98.56540 4.639541 103.5378 4.405571 -4.972420 
6.397999 
1 1 1 -15 15  22 o 89.27586 3.387738  1734.618       126.5628 1626.150       
182.2153 1835.726       175.9239 86.42750 5.021738 92.12424 4.548540 -5.696739 
6.775476 
1 1 1 -15 15  23 o 36.50947 5.419786  339.4457       87.48035 114.0360       
128.7671 532.6568       119.2160 23.98867 9.162685 49.03026 5.791505 -25.04159 
10.83957 
1 1 1 -15 15  24 f 63.19048 3.402192  878.5575       89.60865 829.2123       
132.4137 920.2495       121.7130 61.36121 5.139962 65.01975 4.458747 -3.658539 
6.804384 
1 1 1 -15 15  25 o 21.31437 5.797156  51.59354       70.62684 179.3781       
130.5787 -1.247973      83.96935 27.05367 9.390000 15.57508 6.801175 11.47858 
11.59431 
1 1 1 -15 15  26 o 59.82063 3.866627  797.9282       92.25334 822.4323       
157.4703 785.1230       113.8336 59.90686 6.260993 59.73439 4.539074 0.1724739 
7.733254 
1 1 1 -15 15  27 o 33.79856 5.965127  281.5984       81.92690 348.7672       
137.4111 244.5528       102.0485 36.42980 9.020402 31.16733 7.807900 5.262476 
11.93025 
1 1 1 -15 15  28 o 37.25604 5.662882  371.2058       85.30936 282.4961       
138.3816 425.5870       108.3471 31.78429 9.580860 42.72779 6.039872 -10.94351 
11.32576 
1 1 1 -15 15  29 o 55.83666 4.015470  736.4302       93.34719 646.7431       
133.1877 823.0214       130.8685 52.01885 6.098522 59.65447 5.225326 -7.635620 
8.030940 
1 1 1 -15 15  30 o 39.98791 5.392225  423.2485       87.54996 610.6157       
128.7863 262.2597       119.3771 50.07473 6.125931 29.90108 8.875660 20.17365 
10.78445 
1 1 1 -15 16  1  o 23.09569 6.495329  67.19415       94.53159 22.90312       
150.5689 96.01113       121.4511 22.34863 9.410506 23.84275 8.955420 -1.494122 
12.99066 
1 1 1 -15 16  2  o 61.20612 4.544656  740.0012       107.6966 969.8596       
204.8661 652.2208       126.6014 67.08388 7.273995 55.32835 5.450191 11.75553 
9.089312 
1 1 1 -15 16  3  o 125.8480 3.969342  3308.637       187.7660 3530.035       
361.3867 3226.770       219.7565 128.2602 6.711220 123.4358 4.240544 4.824348 
7.938683 
1 1 1 -15 16  4  o 93.69811 3.854754  1752.863       123.1017 2075.933       
280.0332 1675.477       137.0545 98.34783 6.782126 89.04839 3.665965 9.299438 
7.709509 
1 1 1 -15 16  5  o 18.62392 5.766879  -11.62798      81.06680 -71.86510      
151.2565 12.64844       96.02274 19.32565 8.737082 17.92220 7.529342 1.403454 
11.53376 
1 1 1 -15 16  6  f 101.8053 3.999986  2220.687       136.5585 2190.955       
303.7939 2228.216       152.8739 100.8987 7.171575 102.7118 3.545146 -1.813126 
7.999972 
1 1 1 -15 16  7  o 59.32420 3.844886  735.7547       87.06242 783.4152       
163.3154 716.8326       102.9038 60.46896 6.433032 58.17943 4.212919 2.289532 
7.689771 
1 1 1 -15 16  8  o 74.52069 3.950117  1221.949       95.26438 1124.339       
217.9085 1245.013       105.9228 72.23988 7.184860 76.80151 3.285039 -4.561623 
7.900234 
1 1 1 -15 16  9  o 114.3218 3.790192  2598.397       139.1370 3085.842       
342.4255 2502.004       152.2740 119.7880 6.808851 108.8556 3.331931 10.93237 
7.580383 
1 1 1 -15 16  10 o 67.86790 3.360398  1067.968       81.31061 802.8403       
153.8235 1170.773       95.78651 61.24562 5.982308 74.49020 3.062854 -13.24458 
6.720795 
1 1 1 -15 16  11 o 69.01778 3.522618  1080.403       90.28198 863.3669       
163.5228 1175.569       108.2812 63.45490 6.138104 74.58067 3.458181 -11.12578 
7.045235 
1 1 1 -15 16  12 o 90.91988 2.424741  1736.255       89.12045 1789.079       
148.4929 1706.516       111.4179 91.91109 3.848210 89.92866 2.951060 1.982437 
4.849482 
1 1 1 -15 16  13 o 19.31060 5.465388  40.80947       65.57825 62.78155       
106.4727 27.37970       83.24099 21.10781 8.269368 17.51340 7.148385 3.594408 
10.93078 
1 1 1 -15 16  14 o 100.1201 2.717952  2081.902       105.9583 2242.170       
192.5140 2012.253       126.9105 102.6520 4.467000 97.58813 3.097573 5.063881 
5.435904 
1 1 1 -15 16  15 o 33.35396 5.791334  254.3231       80.49207 253.5790       
110.5575 255.1624       117.4180 33.33852 7.990869 33.36940 8.384761 
-0.3087616E-01 11.58267 
1 1 1 -15 16  16 o 30.08027 6.392822  207.5006       88.97189 156.6999       
132.5055 249.2087       120.0631 27.28909 9.460243 32.87145 8.600959 -5.582357 
12.78564 
1 1 1 -15 16  17 o 117.4757 3.412594  2954.479       167.6860 3000.977       
248.8587 2915.811       226.9415 118.2249 5.013778 116.7266 4.630898 1.498276 
6.825187 
1 1 1 -15 16  18 o 76.06187 3.439151  1248.393       109.0459 1197.035       
162.1162 1290.831       147.3653 74.50699 5.182635 77.61675 4.522316 -3.109764 
6.878303 
1 1 1 -15 16  19 o 41.42296 5.775963  399.7677       96.83602 368.9221       
138.9502 428.8965       135.0277 39.62937 8.593178 43.21655 7.720382 -3.587185 
11.55193 
1 1 1 -15 16  20 o 27.49043 5.973484  152.0186       90.82618 -14.15088      
131.0591 305.5734       125.9863 19.08372 8.411878 35.89715 8.483535 -16.81343 
11.94697 
1 1 1 -15 16  21 o 26.86335 6.077719  163.1811       81.59332 233.7730       
114.8197 91.16810       115.9697 31.22985 8.522057 22.49686 8.667712 8.732988 
12.15544 
1 1 1 -15 16  22 o 79.12221 3.016166  1353.912       100.0574 1283.584       
142.1397 1422.992       140.8738 77.01356 4.396116 81.23087 4.130762 -4.217308 
6.032332 
1 1 1 -15 16  23 o 25.57502 6.075456  152.3542       77.14504 172.3641       
112.0655 134.3308       106.3573 26.81978 8.710698 24.33026 8.471623 2.489515 
12.15091 
1 1 1 -15 16  24 o 50.42417 3.702425  573.8350       76.49667 455.0308       
111.2137 680.5157       105.3866 45.02764 5.883018 55.82071 4.496877 -10.79307 
7.404850 
1 1 1 -15 16  25 o 43.59600 5.007841  452.4041       87.19839 419.0149       
135.0196 476.2944       114.2104 41.31847 8.071396 45.87353 5.930132 -4.555061 
10.01568 
1 1 1 -15 16  26 o 28.02447 6.265578  194.9802       79.98965 237.2366       
133.1816 171.1358       100.0439 29.92466 9.473989 26.12428 8.202036 3.800373 
12.53116 
1 1 1 -15 16  27 o 21.88243 5.566777  107.9730       73.11189 -6.160279      
123.6654 169.3015       90.65110 17.87741 7.998540 25.88745 7.744636 -8.010044 
11.13355 
1 1 1 -15 16  28 o 18.58541 5.605415  41.32688       73.65394 62.77663       
126.3214 30.27857       90.65955 20.17587 8.563473 16.99496 7.235305 3.180908 
11.21083 
1 1 1 -15 16  29 o 19.55780 5.506005  39.92339       75.60199 179.9705       
115.9819 -63.54717      99.69224 25.13797 8.837626 13.97763 6.569683 11.16034 
11.01201 
1 1 1 -15 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 17  2  o 23.49743 6.443734  78.33305       88.99728 114.3988       
142.9343 55.49802       113.7338 25.74857 9.706327 21.24628 8.477856 4.502289 
12.88747 
1 1 1 -15 17  3  o 115.9601 3.270055  2906.272       149.8909 2708.453       
255.0439 3010.650       185.2622 112.6372 5.393293 119.2830 3.699382 -6.645836 
6.540110 
1 1 1 -15 17  4  o 100.3275 3.812676  2072.602       133.5158 2287.596       
289.1508 2014.340       150.5235 103.0751 6.681775 97.57994 3.674218 5.495140 
7.625352 
1 1 1 -15 17  5  o 75.30192 3.695415  1145.701       105.0211 1355.608       
205.3899 1071.391       122.2046 79.50297 6.153424 71.10087 4.093866 8.402100 
7.390830 
1 1 1 -15 17  6  o 135.0781 3.605566  3820.573       164.4637 4001.619       
368.0594 3775.406       183.8376 136.4589 6.424465 133.6973 3.275161 2.761627 
7.211133 
1 1 1 -15 17  7  o 19.75311 5.682684  -85.50142      76.07431 161.5957       
146.7064 -176.3806      88.97076 28.28552 9.939988 11.22069 5.510738 17.06483 
11.36537 
1 1 1 -15 17  8  o 126.1908 3.620992  3142.674       139.7762 3778.445       
366.4967 3034.458       151.2048 132.4706 6.589791 119.9111 3.003498 12.55951 
7.241985 
1 1 1 -15 17  9  o 75.26612 3.314694  1084.452       90.04153 1450.989       
193.4967 983.1446       101.7266 82.35799 5.596146 68.17426 3.554146 14.18373 
6.629389 
1 1 1 -15 17  10 o 68.57774 3.187246  914.7345       83.77417 1214.389       
162.7752 806.7640       97.70799 75.43656 5.139577 61.71893 3.770794 13.71763 
6.374491 
1 1 1 -15 17  11 o 45.17105 4.687447  477.1146       75.88206 377.3703       
137.1023 521.1624       91.10924 40.82644 8.287378 49.51566 4.382691 -8.689220 
9.374893 
1 1 1 -15 17  12 o 126.0669 2.606879  3304.922       128.6181 3540.442       
231.2271 3199.403       154.7713 129.0592 4.267472 123.0745 2.995321 5.984749 
5.213758 
1 1 1 -15 17  13 o 65.12152 3.241928  901.3583       83.13430 911.5305       
145.6214 896.4401       101.2569 65.22224 5.318026 65.02080 3.709311 0.2014465 
6.483856 
1 1 1 -15 17  14 o 74.63509 3.622303  1190.925       113.0544 1164.901       
152.5402 1222.642       168.3999 73.79018 4.923872 75.48001 5.314114 -1.689835 
7.244606 
1 1 1 -15 17  15 o 84.10580 3.023917  1509.637       106.6023 1481.112       
154.3441 1535.657       147.4117 83.30310 4.413164 84.90852 4.135249 -1.605415 
6.047834 
1 1 1 -15 17  16 o 118.1690 3.146607  2988.177       155.9090 2936.611       
225.0461 3035.767       216.1971 117.1254 4.576582 119.2125 4.319657 -2.087044 
6.293214 
1 1 1 -15 17  17 o 69.63379 3.119942  1038.156       89.62447 1040.417       
140.3790 1036.601       116.4459 69.56856 4.806294 69.69903 3.979407 
-0.1304703     6.239883 
1 1 1 -15 17  18 o 55.61654 4.278878  684.9728       98.54973 596.3609       
144.7376 761.5599       134.5591 51.99523 6.630386 59.23785 5.410469 -7.242622 
8.557756 
1 1 1 -15 17  19 o 20.63968 6.142491  31.54459       91.23122 2.288100       
133.4085 57.24525       125.0387 19.80619 8.610607 21.47317 8.762320 -1.666983 
12.28498 
1 1 1 -15 17  20 o 103.2957 3.597790  2321.504       155.9161 2206.144       
218.5772 2441.012       222.4717 100.6213 5.174116 105.9701 5.000490 -5.348808 
7.195580 
1 1 1 -15 17  21 o 86.77852 3.708844  1646.885       135.0011 1556.865       
187.1289 1744.589       194.9521 84.27931 5.288603 89.27772 5.201229 -4.998405 
7.417688 
1 1 1 -15 17  22 o 46.85083 4.677029  493.0818       91.56602 563.4366       
134.6593 432.5740       124.8807 50.04309 6.409338 43.65858 6.813133 6.384510 
9.354058 
1 1 1 -15 17  23 o 40.08981 5.507461  385.5762       90.39307 332.3554       
130.6463 434.4506       125.1979 36.62209 8.628840 43.55753 6.846285 -6.935436 
11.01492 
1 1 1 -15 17  24 o 15.37509 5.007493  -69.09564      75.81345 -8.189711      
110.6879 -122.9181      104.0523 17.33016 7.672805 13.42003 6.436460 3.910127 
10.01499 
1 1 1 -15 17  25 o 36.29511 5.328972  325.4251       78.69128 279.1408       
121.4590 358.9074       103.3047 33.02182 8.655679 39.56841 6.218601 -6.546593 
10.65794 
1 1 1 -15 17  26 o 20.93663 5.799402  87.44273       72.16776 83.32589       
122.3640 89.63851       89.36473 21.38986 8.688221 20.48340 7.684209 0.9064617 
11.59880 
1 1 1 -15 17  27 o 31.86616 6.141748  272.3518       83.07277 264.2553       
136.9830 277.0617       104.4776 30.73968 9.586871 32.99264 7.679595 -2.252966 
12.28350 
1 1 1 -15 17  28 f 19.20610 5.830694  48.08086       81.42697 84.54585       
135.5693 27.50189       101.8439 21.05914 8.901455 17.35306 7.533396 3.706081 
11.66139 
1 1 1 -15 17  29 o 37.10555 5.269958  374.8513       79.64948 475.7172       
108.3518 256.2655       117.4844 44.55102 5.792945 29.66008 8.805203 14.89095 
10.53992 
1 1 1 -15 18  1  f 54.03659 4.617211  640.9104       101.1604 595.1549       
162.3425 669.9543       129.3416 52.20193 7.407413 55.87125 5.514052 -3.669319 
9.234422 
1 1 1 -15 18  2  o 65.32204 3.978941  888.3436       104.8947 1015.654       
179.0323 821.7968       129.4381 68.61948 6.214485 62.02459 4.970721 6.594883 
7.957882 
1 1 1 -15 18  3  o 57.94615 6.787933  727.4415       165.1357 727.4415       
165.1357 0.000000       0.000000 57.94615 6.787933 ?        ?        ? ? 
1 1 1 -15 18  4  o 41.11742 5.914531  405.1869       97.63152 264.8550       
152.9501 501.6843       126.8322 33.99090 10.03569 48.24394 6.261926 -14.25304 
11.82906 
1 1 1 -15 18  5  f 94.84906 4.020725  1826.117       133.8345 2125.141       
290.8983 1745.829       150.7347 98.98319 7.000045 90.71493 3.957816 8.268265 
8.041451 
1 1 1 -15 18  6  o 69.89718 3.695964  1080.795       96.39878 962.4678       
178.9041 1129.205       114.4315 66.79559 6.379602 72.99877 3.733799 -6.203186 
7.391927 
1 1 1 -15 18  7  o 69.92184 3.766557  1042.178       96.48618 1054.494       
190.6701 1037.938       111.8665 69.87286 6.499726 69.97082 3.808064 
-0.9795380E-01 7.533113 
1 1 1 -15 18  8  o 144.3068 4.932853  4247.964       216.7628 4932.938       
564.4110 4129.454       234.7666 149.1355 9.014374 139.4781 4.009142 9.657410 
9.865706 
1 1 1 -15 18  9  o 123.4472 3.289452  3219.461       138.9884 3298.846       
303.7686 3198.441       156.3098 123.8592 5.841653 123.0352 3.026063 0.8239670 
6.578904 
1 1 1 -15 18  10 o 21.47436 5.800131  73.79675       67.98292 78.42532       
125.4313 71.87152       80.89517 22.94754 8.978442 20.00119 7.345314 2.946352 
11.60026 
1 1 1 -15 18  11 o 76.95515 3.112482  1251.961       89.87623 1283.596       
171.8211 1240.044       105.4535 77.36806 5.289758 76.54226 3.281562 0.8257980 
6.224965 
1 1 1 -15 18  12 o 79.19868 2.992667  1329.335       96.38951 1362.227       
158.0038 1309.839       121.6477 79.83841 4.713860 78.55896 3.688325 1.279449 
5.985333 
1 1 1 -15 18  13 o 100.4810 3.466828  2135.572       145.3001 1885.196       
193.2631 2461.093       220.3647 93.79238 4.907977 107.1697 4.897689 -13.37730 
6.933657 
1 1 1 -15 18  14 o 71.02412 3.801892  1096.848       112.0678 1264.983       
157.0558 922.4385       159.9597 76.78506 4.871901 65.26318 5.837989 11.52187 
7.603784 
1 1 1 -15 18  15 o 42.44559 5.220529  403.9306       91.03321 429.6279       
130.0849 379.2689       127.4368 44.16080 7.016344 40.73039 7.732180 3.430405 
10.44106 
1 1 1 -15 18  16 o 79.88315 3.534357  1383.105       117.8379 1236.656       
168.6759 1522.717       164.6914 75.59254 5.314902 84.17377 4.660315 -8.581230 
7.068714 
1 1 1 -15 18  17 o 91.55962 3.171445  1770.353       120.4499 2008.017       
188.9726 1607.727       156.3192 96.55733 4.661598 86.56191 4.301368 9.995415 
6.342890 
1 1 1 -15 18  18 o 48.22029 5.227811  537.8641       98.05142 339.9561       
135.6847 754.1724       141.8521 37.75842 8.727467 58.68216 5.757723 -20.92373 
10.45562 
1 1 1 -15 18  19 o 26.85257 6.607180  162.2913       92.08183 130.8598       
132.6276 191.5426       127.9453 25.21209 9.380370 28.49305 9.307414 -3.280966 
13.21436 
1 1 1 -15 18  20 o 51.22466 4.704133  589.1160       100.6062 513.5293       
139.9716 669.8997       144.7036 47.64820 6.997043 54.80113 6.289424 -7.152927 
9.408266 
1 1 1 -15 18  21 o 18.66596 5.821399  -24.89170      92.69939 -104.8620      
133.3602 49.87069       128.9447 16.33033 7.659424 21.00159 8.768579 -4.671259 
11.64280 
1 1 1 -15 18  22 o 36.60243 6.041052  326.9803       90.67950 364.4631       
137.8993 298.4248       120.3624 38.34804 8.754452 34.85683 8.326873 3.491215 
12.08210 
1 1 1 -15 18  23 o 51.35117 4.066970  592.9990       86.95531 583.6093       
130.7798 600.4395       116.4164 50.75451 6.137438 51.94784 5.337867 -1.193333 
8.133940 
1 1 1 -15 18  24 o 112.0320 3.762125  2821.789       174.1534 2714.155       
267.4942 2900.977       229.4418 109.4908 5.819126 114.5731 4.769917 -5.082291 
7.524250 
1 1 1 -15 18  25 o 45.15770 4.034758  467.4753       75.27165 437.1732       
114.4410 490.5797       99.92902 43.49876 6.266514 46.81664 5.084081 -3.317883 
8.069515 
1 1 1 -15 18  26 f 79.29874 3.265755  1358.109       104.1977 1553.662       
178.8047 1257.553       128.2190 82.94806 5.134448 75.64941 4.037086 7.298645 
6.531509 
1 1 1 -15 18  27 o 54.75048 4.316278  702.5139       95.19080 726.7090       
158.6127 688.8937       119.0048 54.61747 6.917155 54.88350 5.164685 
-0.2660255     8.632555 
1 1 1 -15 18  28 o 39.89447 5.534570  415.9192       88.49873 438.0370       
142.8424 402.1402       112.7439 39.47244 8.840733 40.31649 6.660879 
-0.8440475     11.06914 
1 1 1 -15 19  1  o 68.70642 4.114920  1045.129       115.6528 823.1446       
169.2500 1239.574       158.4037 61.42098 6.563462 75.99186 4.964999 -14.57088 
8.229839 
1 1 1 -15 19  2  o 56.07613 4.358631  680.1767       97.67962 688.7264       
165.8473 675.6356       120.8678 56.06685 7.045687 56.08541 5.133124 
-0.1855850E-01 8.717262 
1 1 1 -15 19  3  o 31.44403 5.475329  237.7332       88.86333 -7.419525      
143.3911 390.5955       113.2280 20.47731 8.915051 42.41075 6.359150 -21.93344 
10.95066 
1 1 1 -15 19  4  f 55.92612 5.594794  673.7206       131.3644 0.000000       
0.000000 673.7206       131.3644 ?        ?        55.92612 5.594794 ? ? 
1 1 1 -15 19  5  o 75.82723 3.964390  1215.975       122.4775 1329.913       
202.5136 1150.266       153.7913 78.38109 6.154091 73.27338 4.999271 5.107712 
7.928780 
1 1 1 -15 19  6  o 23.71527 6.302095  41.45472       93.05975 211.5782       
148.8524 -67.70279      119.2341 30.71592 10.03910 16.71461 7.621162 14.00131 
12.60419 
1 1 1 -15 19  7  o 110.5946 3.449846  2417.530       125.1994 2953.615       
301.2736 2305.624       137.6479 116.8117 6.143219 104.3775 3.141114 12.43410 
6.899691 
1 1 1 -15 19  8  o 25.56123 6.107794  139.3371       74.43652 118.7058       
137.1122 147.9587       88.63542 25.42359 9.521999 25.69887 7.651937 
-0.2752800     12.21559 
1 1 1 -15 19  9  o 116.6353 3.016314  2791.384       121.2802 3095.559       
267.5521 2712.719       136.0619 119.9898 5.311109 113.2807 2.860893 6.709038 
6.032627 
1 1 1 -15 19  10 o 80.85973 3.634695  1299.790       97.88846 1584.915       
230.7424 1237.213       108.0980 85.33303 6.440675 76.38641 3.370718 8.946617 
7.269390 
1 1 1 -15 19  11 o 33.05995 6.884827  240.7037       100.0493 330.2898       
164.7489 188.3615       125.9297 37.25077 10.22731 28.86913 9.219846 8.381639 
13.76965 
1 1 1 -15 19  12 o 91.05261 3.437762  1754.201       130.2089 1595.833       
170.6035 1975.169       201.5202 86.26521 4.710569 95.84003 5.008328 -9.574821 
6.875523 
1 1 1 -15 19  13 o 40.38781 5.472935  368.1186       90.85049 323.8411       
125.3202 417.1646       131.8959 37.35199 8.214003 43.42364 7.234792 -6.071655 
10.94587 
1 1 1 -15 19  14 f 121.1057 3.908793  3182.341       198.7249 3152.882       
281.8300 3211.471       280.2556 120.5182 5.570006 121.6933 5.485407 -1.175079 
7.817586 
1 1 1 -15 19  15 o 79.49523 3.449170  1366.256       114.8859 1302.049       
164.9241 1426.783       160.1284 77.59377 5.062655 81.39669 4.685790 -3.802917 
6.898340 
1 1 1 -15 19  16 o 23.35690 6.282838  95.06960       88.48216 32.28481       
131.5097 146.9989       119.6016 20.82333 8.782766 25.89047 8.986615 -5.067137 
12.56568 
1 1 1 -15 19  17 o 114.2243 3.445880  2840.225       164.3802 2664.878       
239.9759 2995.228       225.6246 110.6663 5.165037 117.7824 4.562756 -7.116142 
6.891759 
1 1 1 -15 19  18 o 69.74081 4.096037  1072.209       119.8876 1058.563       
171.0803 1085.377       168.0536 69.25188 5.884229 70.22976 5.699644 
-0.9778824     8.192075 
1 1 1 -15 19  19 o 24.97270 6.434173  123.0084       94.34093 24.16065       
138.5455 208.4669       128.8211 20.64390 8.871238 29.30149 9.321773 -8.657593 
12.86835 
1 1 1 -15 19  20 o 20.95216 6.220244  44.46236       92.85364 69.51781       
133.5954 21.04763       129.1473 22.04692 9.036878 19.85739 8.549888 2.189537 
12.44049 
1 1 1 -15 19  21 o 64.82028 4.122249  940.1068       112.0781 921.4904       
160.8425 957.6781       156.2614 64.09440 5.977256 65.54617 5.678394 -1.451767 
8.244498 
1 1 1 -15 19  22 o 53.00953 3.957534  632.1682       87.44986 580.6974       
127.5372 677.8411       120.1396 50.72432 5.988828 55.29474 5.175155 -4.570415 
7.915067 
1 1 1 -15 19  23 o 28.17823 6.097887  202.5632       81.89353 139.1406       
122.0771 254.4584       110.4271 24.49845 9.020748 31.85801 8.207496 -7.359566 
12.19577 
1 1 1 -15 19  24 o 17.81659 5.681393  -19.36737      89.45515 -20.56674      
133.8071 -18.39813      120.2875 18.20978 8.225928 17.42340 7.838813 0.7863846 
11.36279 
1 1 1 -15 19  25 o 13.68506 4.705669  -160.6006      84.50364 -198.5789      
135.1576 -136.2271      108.2760 14.09933 6.889006 13.27080 6.412089 0.8285217 
9.411339 
1 1 1 -15 19  26 o 34.84793 5.321362  334.4726       77.73054 187.0903       
122.5665 433.6306       100.5340 26.30121 9.100383 43.39464 5.518206 -17.09342 
10.64272 
1 1 1 -15 19  27 o 24.53035 6.341146  156.7574       82.42059 216.0581       
138.4459 124.2025       102.5790 26.97973 9.638310 22.08097 8.242785 4.898760 
12.68229 
1 1 1 -15 19  28 o 32.10886 7.731440  343.1621       121.0622 423.3250       
202.5369 298.6005       151.0073 33.81746 11.69864 30.40026 10.11151 3.417202 
15.46288 
1 1 1 -15 20  1  o 86.52922 3.924341  1642.180       138.7725 1552.276       
219.4184 1702.116       179.1546 84.16791 6.209370 88.89053 4.800578 -4.722626 
7.848682 
1 1 1 -15 20  2  o 50.84389 5.057651  596.8519       98.45050 518.9772       
163.6057 641.0585       123.2664 47.28516 8.555267 54.40262 5.396918 -7.117458 
10.11530 
1 1 1 -15 20  3  o 106.4622 4.378158  2466.800       176.9339 2496.218       
329.6108 2454.892       209.7090 106.0120 7.405726 106.9124 4.672076 
-0.9004822     8.756316 
1 1 1 -15 20  4  o 36.87561 5.895235  332.4457       92.22961 196.9146       
142.9847 429.0143       120.6947 29.49952 9.839244 44.25171 6.496497 -14.75218 
11.79047 
1 1 1 -15 20  5  f 79.68945 3.974971  1377.674       126.6151 1369.789       
213.9107 1381.927       157.0894 79.12582 6.439250 80.25309 4.662364 -1.127266 
7.949942 
1 1 1 -15 20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 20  7  o 34.76171 5.918920  300.4798       95.66059 100.0415       
150.6566 435.8804       123.8250 24.93365 9.817507 44.58978 6.614453 -19.65614 
11.83784 
1 1 1 -15 20  8  o 81.81747 3.108730  1363.659       100.7970 1644.740       
180.7697 1236.833       121.4260 87.43629 4.924419 76.19866 3.795642 11.23763 
6.217460 
1 1 1 -15 20  9  o 45.49836 4.633286  392.1544       79.86201 612.3025       
161.2840 320.6433       91.92225 52.56032 7.308939 38.43639 5.696382 14.12393 
9.266572 
1 1 1 -15 20  10 o 29.56491 6.750570  180.3671       96.91995 296.4710       
155.2562 106.2310       124.0626 35.15208 10.02641 23.97775 9.041679 11.17433 
13.50114 
1 1 1 -15 20  11 o 33.05944 6.626730  229.4567       100.7304 410.7371       
162.4357 116.1855       128.4003 41.47912 9.523447 24.63976 9.217277 16.83936 
13.25346 
1 1 1 -15 20  12 o 72.59976 4.076774  1162.110       120.8823 1086.432       
190.7133 1212.932       156.2874 70.25317 6.466004 74.94634 4.967005 -4.693169 
8.153548 
1 1 1 -15 20  13 o 59.81118 3.933380  778.2003       98.66936 731.1617       
137.0539 828.8132       142.1655 57.90798 5.637337 61.71438 5.486926 -3.806400 
7.866760 
1 1 1 -15 20  14 f 54.84418 4.245579  660.1672       97.68661 626.5090       
136.3058 695.7104       140.0706 53.37607 6.082594 56.31229 5.924679 -2.936222 
8.491158 
1 1 1 -15 20  15 o 58.55849 4.084267  756.2937       99.84039 684.1563       
143.4875 823.9996       139.0102 55.67252 6.138951 61.44448 5.388712 -5.771961 
8.168534 
1 1 1 -15 20  16 o 29.45033 6.504457  207.9307       89.07331 204.1030       
130.7426 211.2463       121.6822 29.23637 9.400162 29.66430 8.992707 
-0.4279346     13.00891 
1 1 1 -15 20  17 o 30.74752 6.436962  231.9077       89.98042 193.8608       
132.3445 264.6140       122.7046 28.51370 9.466073 32.98133 8.725330 -4.467630 
12.87392 
1 1 1 -15 20  18 o 85.80846 3.672078  1617.740       132.0877 1540.025       
188.4082 1692.858       185.2328 83.65433 5.364540 87.96259 5.015809 -4.308258 
7.344156 
1 1 1 -15 20  19 o 126.8791 3.557304  3531.209       189.4083 3403.782       
263.6758 3667.066       272.2579 124.5009 5.044508 129.2572 5.017030 -4.756371 
7.114609 
1 1 1 -15 20  20 f 47.03711 5.062084  509.4581       99.80811 546.7437       
145.7227 476.5110       136.9824 48.66949 7.131672 45.40473 7.185960 3.264763 
10.12417 
1 1 1 -15 20  21 o 19.08445 5.781590  -45.92863      93.28385 126.0205       
136.1976 -197.8673      128.0276 24.33563 9.389723 13.83327 6.748352 10.50236 
11.56318 
1 1 1 -15 20  22 o 22.31708 6.254781  86.63461       88.41937 146.9723       
132.1577 37.74006       118.9676 25.10577 9.359175 19.52839 8.300300 5.577377 
12.50956 
1 1 1 -15 20  23 f 29.57320 6.415717  230.7162       91.62271 150.1176       
135.1678 299.2286       124.6219 25.09384 9.443214 34.05256 8.687427 -8.958712 
12.83143 
1 1 1 -15 20  24 o 28.85406 6.656955  221.6813       92.91428 259.2924       
136.7088 189.3930       126.6664 30.82607 9.569946 26.88205 9.256152 3.944021 
13.31391 
1 1 1 -15 20  25 o 54.88502 4.438215  688.4455       100.6063 837.9655       
160.8777 592.4187       128.9266 59.47163 6.443283 50.29840 6.105334 9.173222 
8.876430 
1 1 1 -15 20  26 f 36.09812 6.025891  334.9854       89.42706 488.5682       
145.6978 242.1532       113.2743 42.68063 8.431064 29.51560 8.611772 13.16503 
12.05178 
1 1 1 -15 20  27 o 21.40105 6.144653  110.1556       84.50742 113.1861       
138.7144 108.3671       106.5664 21.81110 9.099864 20.99100 8.259511 0.8200932 
12.28931 
1 1 1 -15 21  1  o 22.55350 6.374627  61.08619       99.58145 -73.64712      
160.3572 145.6590       127.0476 19.21971 8.790165 25.88730 9.234527 -6.667593 
12.74925 
1 1 1 -15 21  2  o 21.90562 6.387800  48.79087       90.40205 97.67280       
156.6657 24.38954       110.6895 24.72094 9.916307 19.09030 8.054985 5.630648 
12.77560 
1 1 1 -15 21  3  o 71.61462 3.770201  1102.881       112.3955 1218.124       
173.1659 1018.988       147.7460 74.71708 5.520311 68.51216 5.136520 6.204918 
7.540403 
1 1 1 -15 21  4  o 63.34190 4.188183  916.2385       106.1331 704.0919       
163.3812 1071.118       139.5987 56.23708 6.919908 70.44672 4.719998 -14.20963 
8.376366 
1 1 1 -15 21  5  o 25.53438 6.361872  135.2985       90.36208 44.81064       
138.9254 201.6536       118.9662 21.78190 9.098459 29.28686 8.894476 -7.504959 
12.72374 
1 1 1 -15 21  6  o 27.47663 5.762655  80.18280       92.49136 376.4460       
147.2132 -113.0330      118.8856 39.72402 9.029311 15.22924 7.162703 24.49478 
11.52531 
1 1 1 -15 21  7  o 79.98741 4.322020  1386.237       135.3539 1457.790       
241.1876 1353.342       163.5337 80.85527 7.105059 79.11954 4.923166 1.735725 
8.644040 
1 1 1 -15 21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 21  9  o 126.4472 4.667885  3614.267       225.1430 3343.039       
404.9704 3735.599       270.8596 121.4712 7.940924 131.4232 4.909004 -9.951958 
9.335770 
1 1 1 -15 21  10 o 75.83505 4.119102  1258.742       125.4585 1263.464       
210.1034 1256.125       156.4034 75.47688 6.630408 76.19324 4.889346 
-0.7163620     8.238205 
1 1 1 -15 21  11 o 46.98721 5.553204  509.7397       104.1071 492.8820       
164.5265 520.9966       134.4461 45.53411 8.924570 48.44032 6.610925 -2.906208 
11.10641 
1 1 1 -15 21  12 o 26.61273 6.612474  124.8742       97.41367 267.5055       
152.2801 26.07804       126.7377 33.03507 10.06910 20.19039 8.573943 12.84468 
13.22495 
1 1 1 -15 21  13 o 42.57863 4.784948  416.0355       81.96503 474.3594       
112.4784 349.9934       119.6895 46.44402 5.768465 38.71325 7.635950 7.730770 
9.569897 
1 1 1 -15 21  14 o 49.10902 4.651649  542.4373       94.56440 442.4921       
133.2434 643.8692       134.2306 44.23685 7.174347 53.98118 5.922843 -9.744328 
9.303297 
1 1 1 -15 21  15 o 34.21183 6.265301  287.3080       91.03153 260.3906       
132.7560 311.1967       125.0641 32.50945 9.271070 35.91422 8.429901 -3.404766 
12.53060 
1 1 1 -15 21  16 o 47.79143 4.850123  514.0013       96.96935 576.5986       
143.0508 460.7844       131.8979 50.52543 6.743747 45.05743 6.972564 5.467999 
9.700246 
1 1 1 -15 21  17 o 63.06091 3.884067  877.5029       102.3909 901.0777       
152.7519 858.2678       137.9778 63.69781 5.711933 62.42400 5.264762 1.273808 
7.768134 
1 1 1 -15 21  18 o 52.86063 4.493680  622.5613       99.01489 717.1281       
151.0647 551.3347       131.1036 56.30938 6.390038 49.41188 6.319816 6.897499 
8.987361 
1 1 1 -15 21  19 o 39.57178 5.874651  382.2350       96.83515 512.2090       
140.0678 263.2371       134.0232 47.05593 7.089982 32.08762 9.369006 14.96831 
11.74930 
1 1 1 -15 21  20 o 61.48285 4.240261  855.5370       109.0052 762.5178       
152.2837 953.2775       156.1003 57.84683 6.270396 65.11886 5.709764 -7.272026 
8.480522 
1 1 1 -15 21  21 o 27.71202 6.250352  169.4315       93.56701 330.5739       
138.0857 32.63490       127.2277 35.67244 9.170798 19.75160 8.494945 15.92084 
12.50070 
1 1 1 -15 21  22 o 21.50235 6.006437  69.99937       88.61838 -41.59501      
131.3689 163.1854       120.0458 17.43696 7.967008 25.56774 8.990880 -8.130777 
12.01287 
1 1 1 -15 21  23 o 69.19022 3.986372  1099.526       114.8968 993.6693       
166.5802 1195.586       158.6845 65.56950 6.051215 72.81094 5.191094 -7.241440 
7.972745 
1 1 1 -15 21  24 o 30.74570 6.047221  259.1024       93.81403 90.89331       
139.1049 399.4387       127.0582 21.94038 9.130592 39.55102 7.931444 -17.61065 
12.09444 
1 1 1 -15 21  25 o 38.90383 5.878806  394.0327       92.23848 483.6328       
144.6815 332.6787       119.7238 42.57404 8.393375 35.23362 8.233631 7.340427 
11.75761 
1 1 1 -15 21  26 o 36.72681 5.994259  386.5934       92.63181 306.4117       
144.0321 443.1518       120.9680 31.39496 9.838305 42.05866 6.850719 -10.66370 
11.98852 
1 1 1 -15 22  1  o 80.32002 3.982539  1445.315       131.7200 1294.865       
199.6766 1561.224       175.2625 76.10116 6.249669 84.53889 4.938027 -8.437729 
7.965079 
1 1 1 -15 22  2  o 46.39086 4.903373  484.1275       92.92435 498.3689       
150.1655 475.2899       118.2938 46.56190 7.681756 46.21983 6.096139 0.3420715 
9.806746 
1 1 1 -15 22  3  o 16.21165 5.339196  -86.09525      87.32797 -93.52962      
135.1597 -80.76769      114.4167 16.84434 7.846746 15.57896 7.242695 1.265382 
10.67839 
1 1 1 -15 22  4  o 28.23756 6.754883  161.2086       91.84462 282.4376       
162.3554 104.1550       111.3794 33.53989 10.43239 22.93522 8.583649 10.60467 
13.50977 
1 1 1 -15 22  5  o 78.37152 3.877053  1364.196       124.3938 1260.228       
194.1231 1436.631       162.0325 75.38003 6.133975 81.36302 4.743469 -5.982994 
7.754105 
1 1 1 -15 22  6  o 34.26637 6.681378  279.6597       98.01175 347.5091       
155.5786 235.0122       126.2047 37.40931 9.791913 31.12342 9.092948 6.285891 
13.36276 
1 1 1 -15 22  7  o 42.63447 5.718951  405.9424       98.84743 549.9924       
158.5066 314.2706       126.4471 49.07940 7.692528 36.18954 8.464668 12.88985 
11.43790 
1 1 1 -15 22  8  o 100.3856 4.121708  2246.163       162.6580 2146.912       
280.3211 2296.542       199.7190 97.79726 6.827319 102.9738 4.619698 -5.176590 
8.243416 
1 1 1 -15 22  9  o 89.55429 3.909123  1782.446       142.1862 1664.163       
227.2645 1858.525       182.2642 86.53125 6.255754 92.57733 4.689405 -6.046082 
7.818246 
1 1 1 -15 22  10 o 21.40890 9.459991  -5.125836      167.1418 -5.125836      
167.1418 0.000000       0.000000 21.40890 9.459991 ?        ?        ? ? 
1 1 1 -15 22  11 o 72.36603 4.689595  1258.120       127.3412 946.9802       
219.1541 1416.716       156.4654 63.91351 8.167290 80.81854 4.611352 -16.90503 
9.379189 
1 1 1 -15 22  12 o 55.03378 4.828346  655.4258       109.1262 877.2161       
174.6286 513.3235       139.7798 62.45423 6.660004 47.61334 6.992571 14.84089 
9.656693 
1 1 1 -15 22  13 o 53.64661 5.275257  687.4810       109.6068 567.9462       
173.5596 766.7802       141.3629 48.43661 8.864823 58.85661 5.720861 -10.41999 
10.55051 
1 1 1 -15 22  14 o 86.06050 3.102565  1601.137       111.8804 1695.702       
164.6387 1519.999       152.5029 88.38202 4.436997 83.73898 4.337821 4.643036 
6.205130 
1 1 1 -15 22  15 o 24.14032 6.275014  126.5374       83.26253 113.8797       
130.7476 135.1724       107.9910 23.88673 9.203373 24.39391 8.532358 
-0.5071812     12.55003 
1 1 1 -15 22  16 o 28.18874 6.638181  195.6470       92.01442 186.4224       
133.5379 203.9861       126.9668 27.68718 9.506758 28.69030 9.267326 -1.003119 
13.27636 
1 1 1 -15 22  17 o 53.94491 4.452655  668.1296       99.14098 587.0636       
147.5096 734.9177       133.8907 50.47779 6.960510 57.41203 5.554804 -6.934238 
8.905310 
1 1 1 -15 22  18 o 57.35693 4.470006  750.6323       107.3876 797.1027       
150.8764 702.9186       152.8815 59.34466 6.055650 55.36921 6.576695 3.975456 
8.940012 
1 1 1 -15 22  19 o 74.48901 4.167123  1266.772       128.3868 1040.828       
182.4465 1488.408       180.6989 67.30561 6.456621 81.67241 5.269886 -14.36680 
8.334246 
1 1 1 -15 22  20 o 67.12594 4.247369  1028.201       119.4458 945.9854       
167.0614 1114.184       170.8460 64.20728 6.197447 70.04459 5.809666 -5.837311 
8.494738 
1 1 1 -15 22  21 o 36.58530 6.297824  346.5641       95.76850 392.1896       
141.9133 308.4106       129.7736 38.86581 8.886627 34.30481 8.926267 4.561001 
12.59565 
1 1 1 -15 22  22 o 28.20434 6.537247  204.0038       93.91974 304.0655       
137.9087 117.4530       128.2606 33.38808 9.426212 23.02061 9.060292 10.36747 
13.07449 
1 1 1 -15 22  23 o 17.45358 5.551576  -25.54894      84.25266 56.46614       
134.8834 -78.02156      107.8892 20.40215 8.759791 14.50500 6.822464 5.897150 
11.10315 
1 1 1 -15 22  24 o 32.53121 6.616077  305.8485       95.11448 300.3732       
141.5157 310.3598       128.4552 31.86781 9.705377 33.19461 8.994198 -1.326796 
13.23215 
1 1 1 -15 22  25 o 51.05064 4.707510  641.2870       98.15373 670.3129       
158.3866 623.1899       125.0635 51.07145 7.386886 51.02984 5.837508 
0.4161072E-01  9.415019 
1 1 1 -15 23  1  o 25.31798 6.792007  141.1147       99.61804 107.3882       
161.2043 161.9510       126.7069 24.49229 9.964225 26.14367 9.232534 -1.651375 
13.58401 
1 1 1 -15 23  2  o 20.29464 6.240676  15.15006       97.84324 46.15856       
152.7189 -6.439654      127.4312 21.92324 9.363781 18.66604 8.252501 3.257200 
12.48135 
1 1 1 -15 23  3  o 24.54016 6.380108  131.4194       90.24706 46.21992       
149.6743 180.0879       113.1236 21.82940 9.295131 27.25091 8.742064 -5.421509 
12.76022 
1 1 1 -15 23  4  o 18.81274 5.806149  -1.384311      89.12074 -100.2329      
148.1005 54.72971       111.5853 17.43411 8.157180 20.19136 8.264737 -2.757250 
11.61230 
1 1 1 -15 23  5  o 53.75111 4.903752  669.9743       108.0334 578.9292       
163.1005 741.1442       144.2033 49.88329 7.787915 57.61892 5.961166 -7.735626 
9.807504 
1 1 1 -15 23  6  o 24.09775 6.281786  101.9387       95.55463 -43.39230      
144.8691 213.8592       127.1310 18.74181 8.506506 29.45370 9.245686 -10.71189 
12.56357 
1 1 1 -15 23  7  o 61.84444 4.537857  869.1173       114.3591 820.4023       
181.4712 901.2067       147.2844 59.83607 7.223798 63.85281 5.494116 -4.016731 
9.075713 
1 1 1 -15 23  8  f 81.21153 3.646317  1468.912       122.0611 1311.181       
184.2757 1592.216       162.9293 76.86298 5.710471 85.56010 4.535750 -8.697121 
7.292634 
1 1 1 -15 23  9  o 50.44078 5.254254  553.8983       108.1210 747.9551       
180.0359 444.4268       135.2213 56.90551 7.535741 43.97605 7.324026 12.92946 
10.50851 
1 1 1 -15 23  10 o 28.34438 6.139237  36.50000       98.56548 464.4204       
180.4356 -145.5043      117.6743 42.52152 10.21894 14.16725 6.806924 28.35428 
12.27847 
1 1 1 -15 23  11 f 18.85340 8.172498  11.60143       119.5192 0.000000       
0.000000 11.60143       119.5192 ?        ?        18.85340 8.172498 ? ? 
1 1 1 -15 23  12 o 39.12785 7.663908  402.0630       130.2866 468.1753       
193.7578 347.4996       176.0227 42.02198 10.89431 36.23372 10.78221 5.788258 
15.32782 
1 1 1 -15 23  13 o 65.96029 4.996022  1016.555       132.9461 930.0400       
213.2550 1071.553       170.0312 62.71927 8.098774 69.20130 5.852418 -6.482029 
9.992043 
1 1 1 -15 23  14 o 66.19141 3.702620  971.3856       102.7087 937.0763       
147.8416 1003.392       142.7940 64.93551 5.422946 67.44731 5.042739 -2.511803 
7.405239 
1 1 1 -15 23  15 o 74.53836 3.534832  1229.459       110.3208 1305.918       
154.3755 1149.658       157.7123 77.07610 4.770674 72.00061 5.217357 5.075493 
7.069663 
1 1 1 -15 23  16 o 16.32934 5.344226  -85.89127      90.20561 -178.6498      
134.0556 -9.137893      121.9430 14.60979 7.072076 18.04889 8.014284 -3.439091 
10.68845 
1 1 1 -15 23  17 o 75.81905 3.887637  1293.232       123.3162 1221.984       
178.2373 1358.651       170.7917 73.56174 5.771220 78.07635 5.210366 -4.514610 
7.775275 
1 1 1 -15 23  18 o 36.26324 6.487633  343.1788       98.89240 335.0902       
143.7980 350.4373       136.2195 35.62949 9.454568 36.89700 8.886432 -1.267509 
12.97527 
1 1 1 -15 23  19 o 26.82756 6.817191  183.8530       98.06810 194.3168       
139.7723 173.7074       137.6310 27.36878 9.693660 26.28634 9.587978 1.082441 
13.63438 
1 1 1 -15 23  20 o 93.33582 3.454077  1947.926       134.9670 1931.470       
197.7422 1962.279       184.6718 92.73695 5.078876 93.93468 4.682693 -1.197731 
6.908154 
1 1 1 -15 23  21 o 28.39383 6.613690  220.2834       91.71211 204.2679       
135.5398 233.8083       124.5563 27.43433 9.562432 29.35333 9.139118 -1.919003 
13.22738 
1 1 1 -15 23  22 o 36.35126 6.377809  358.3288       96.60427 402.2169       
145.0842 323.3727       129.4814 38.28718 9.139429 34.41535 8.898126 3.871830 
12.75562 
1 1 1 -15 23  23 o 28.59391 6.329889  236.9060       86.99958 182.9629       
130.7074 279.8141       116.5740 25.41458 9.336486 31.77324 8.549855 -6.358658 
12.65978 
1 1 1 -15 23  24 o 33.87548 6.390738  342.2635       95.63821 260.8069       
140.1509 413.2510       130.8349 28.94283 9.741253 38.80814 8.274911 -9.865307 
12.78148 
1 1 1 -15 24  1  o 33.62334 6.829745  293.5672       99.45113 331.4697       
160.4723 269.9319       126.7205 34.93746 10.26818 32.30923 9.008113 2.628227 
13.65949 
1 1 1 -15 24  2  o 45.61860 5.836828  506.0276       108.4658 528.2390       
165.3059 489.2350       143.7341 45.77563 8.919785 45.46157 7.530717 0.3140640 
11.67366 
1 1 1 -15 24  3  o 43.80990 6.548014  489.3313       116.6990 479.0522       
164.0526 499.8610       166.0400 43.29579 9.293068 44.32401 9.227396 -1.028221 
13.09603 
1 1 1 -15 24  4  o 39.52636 6.674146  406.5076       111.0461 309.3422       
158.2784 500.6969       155.8358 34.07422 10.24157 44.97850 8.560793 -10.90429 
13.34829 
1 1 1 -15 24  5  o 32.67228 7.353155  275.3192       114.0849 357.2676       
173.9177 213.4236       151.1485 36.35888 10.69090 28.98567 10.09853 7.373213 
14.70631 
1 1 1 -15 24  6  o 40.85767 6.003939  397.2242       101.3873 544.9603       
156.0850 289.3908       133.3505 48.05626 7.736283 33.65908 9.183630 14.39717 
12.00788 
1 1 1 -15 24  7  o 22.26976 6.569745  68.88008       102.6186 49.27035       
150.1957 86.04823       140.5347 21.77260 9.292349 22.76693 9.289696 
-0.9943295     13.13949 
1 1 1 -15 24  8  o 29.10577 7.174920  199.6912       102.1544 272.2065       
181.2703 165.9437       123.6610 31.95500 11.06617 26.25655 9.135529 5.698450 
14.34984 
1 1 1 -15 24  9  o 23.80496 6.796964  102.4679       99.48080 112.5983       
176.9727 97.78813       120.2836 25.12429 10.36683 22.48563 8.793386 2.638657 
13.59393 
1 1 1 -15 24  10 o 49.67066 5.709548  614.1829       106.3781 525.4583       
181.4529 660.6469       131.3107 45.08861 9.857002 54.25272 5.765003 -9.164104 
11.41910 
1 1 1 -15 24  11 o 40.08718 6.392915  447.5426       104.5183 273.7811       
184.3494 529.8553       126.8816 31.89423 11.14872 48.28012 6.259670 -16.38589 
12.78583 
1 1 1 -15 24  12 o 46.13866 6.199593  525.8262       110.5164 527.7448       
191.0526 524.8614       135.4849 44.57433 10.39110 47.70298 6.764980 -3.128658 
12.39919 
1 1 1 -15 24  13 o 26.47353 11.21031  126.5406       215.6560 0.000000       
0.000000 126.5406       215.6560 ?        ?        26.47353 11.21031 ? ? 
1 1 1 -15 24  14 o 23.36776 6.458508  102.6272       96.81625 20.59082       
141.7090 174.4385       132.5838 20.15818 8.818606 26.57734 9.438300 -6.419155 
12.91702 
1 1 1 -15 24  15 o 21.27742 6.208610  66.50976       90.22341 105.2347       
132.7588 33.27380       122.9907 23.02443 9.168252 19.53042 8.374394 3.494013 
12.41722 
1 1 1 -15 24  16 o 38.53490 6.124373  378.3864       96.54431 393.7165       
140.8306 364.7942       132.6086 39.19863 8.777449 37.87117 8.543313 1.327461 
12.24875 
1 1 1 -15 24  17 o 46.73412 5.284504  529.6378       101.0175 495.9781       
145.1514 561.2532       140.6744 44.63715 8.038610 48.83109 6.861826 -4.193939 
10.56901 
1 1 1 -15 24  18 o 75.15959 3.692223  1278.040       115.9250 1160.023       
165.7797 1390.968       162.1655 71.43953 5.527311 78.87965 4.896824 -7.440117 
7.384447 
1 1 1 -15 24  19 o 27.03806 6.752720  195.2150       97.08285 154.5963       
139.6488 233.2071       135.0580 24.93624 9.536937 29.13988 9.562623 -4.203632 
13.50544 
1 1 1 -15 24  20 o 43.12745 5.818262  480.4314       102.5538 394.5169       
144.6270 567.3176       145.4425 38.03956 9.153382 48.21534 7.185005 -10.17579 
11.63652 
1 1 1 -15 24  21 o 34.89324 6.416547  337.0771       94.94800 393.0924       
141.9653 291.7423       127.7158 37.59087 9.083466 32.19561 9.065262 5.395264 
12.83309 
1 1 1 -15 24  22 o 29.75992 6.700765  263.6492       94.29639 294.7574       
138.3007 236.6241       128.9050 31.27708 9.608500 28.24275 9.342257 3.034330 
13.40153 
1 1 1 -15 24  23 o 65.80189 4.252098  1046.987       117.0785 1060.923       
172.8271 1035.167       159.1637 65.85421 6.250996 65.74957 5.765967 0.1046448 
8.504195 
1 1 1 -15 25  1  o 36.35141 6.586484  341.7413       115.6740 125.4865       
155.7195 607.9877       172.7834 24.14518 9.803221 48.55764 8.799088 -24.41247 
13.17297 
1 1 1 -15 25  2  o 37.82580 6.843067  388.9019       109.3647 360.5481       
161.1319 413.1204       148.9190 35.99540 10.19761 39.65620 9.127926 -3.660809 
13.68613 
1 1 1 -15 25  3  o 18.81998 6.020592  -44.94109      106.4177 -153.0612      
153.3487 55.49508       147.7992 16.23400 7.792782 21.40596 9.179469 -5.171963 
12.04118 
1 1 1 -15 25  4  o 21.99132 6.638962  62.01887       108.1578 41.41917       
146.9082 86.39970       159.8232 20.93261 9.067023 23.05004 9.700122 -2.117430 
13.27792 
1 1 1 -15 25  5  o 21.90073 6.329905  34.08025       106.9042 187.0786       
144.1513 -152.9080      159.3612 27.12816 9.820552 16.67330 7.989214 10.45486 
12.65981 
1 1 1 -15 25  6  o 18.10458 5.765140  -66.71977      97.27484 70.54863       
143.0759 -184.7114      132.6498 21.89996 9.195172 14.30921 6.956735 7.590742 
11.53028 
1 1 1 -15 25  7  o 41.41706 6.223262  437.4028       104.1468 431.8143       
158.6449 441.6353       138.0625 40.59066 9.473049 42.24347 8.073246 -1.652809 
12.44652 
1 1 1 -15 25  8  o 17.08444 5.588159  -81.17648      98.95642 -258.4193      
170.2796 9.207774       121.5975 15.62953 7.659217 18.53936 8.139193 -2.909830 
11.17632 
1 1 1 -15 25  9  o 41.28130 6.408254  462.5319       105.8329 346.9009       
180.4078 523.2044       130.6815 35.02021 11.01805 47.54239 6.547179 -12.52217 
12.81651 
1 1 1 -15 25  10 o 42.09451 6.321580  403.0428       103.6344 652.2538       
186.6121 291.9089       124.6176 50.49732 9.137641 33.69168 8.738022 16.80564 
12.64316 
1 1 1 -15 25  11 o 36.01284 6.873628  345.1271       103.3902 351.9719       
175.9734 341.5187       127.7683 35.32985 10.83538 36.69583 8.460594 -1.365978 
13.74726 
1 1 1 -15 25  12 o 22.48193 6.698976  63.82127       104.6876 143.6037       
174.0978 18.63533       131.0212 25.60812 10.37814 19.35574 8.473453 6.252384 
13.39795 
1 1 1 -15 25  13 f 47.98044 6.022731  575.6144       114.3148 580.4494       
185.9699 572.6779       144.9288 46.71621 9.795578 49.24467 7.009979 -2.528454 
12.04546 
1 1 1 -15 25  14 o 29.16507 6.826227  212.8457       101.7444 334.4344       
154.0841 118.8445       135.4809 34.84627 10.00442 23.48388 9.289843 11.36239 
13.65245 
1 1 1 -15 25  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 25  16 o 65.07246 4.303150  944.9908       115.3281 1221.192       
184.6900 768.4575       147.6537 72.60047 6.059337 57.54446 6.111697 15.05601 
8.606300 
1 1 1 -15 25  17 o 41.60602 5.998650  449.9250       101.2356 419.6438       
142.9870 480.3605       143.3510 39.87029 8.779104 43.34175 8.176950 -3.471462 
11.99730 
1 1 1 -15 25  18 o 94.39178 3.762141  2039.587       148.9954 2127.022       
211.5417 1953.511       209.8906 96.54756 5.218860 92.23600 5.420178 4.311562 
7.524282 
1 1 1 -15 25  19 o 46.22508 5.581332  550.0941       105.5869 510.3370       
150.2546 588.8796       148.4075 43.78916 8.475524 48.66100 7.264334 -4.871841 
11.16266 
1 1 1 -15 25  20 o 30.78401 5.998997  271.4908       88.21124 143.5079       
128.0788 386.9808       121.6671 23.29205 9.080989 38.27597 7.841398 -14.98392 
11.99799 
1 1 1 -15 25  21 o 35.23476 5.419557  361.4080       88.26453 133.6234       
130.7380 552.1867       119.6478 22.58492 9.059001 47.88459 5.951547 -25.29968 
10.83911 
1 1 1 -15 25  22 o 16.81865 5.498936  -26.19517      92.33953 -52.29816      
136.5158 -4.180310      125.3706 16.46052 7.725707 17.17679 7.827301 
-0.7162704     10.99787 
1 1 1 -15 26  1  o 36.73701 7.398216  409.0975       118.4048 408.1740       
191.6420 409.6678       150.5846 35.43225 11.37963 38.04177 9.457189 -2.609516 
14.79643 
1 1 1 -15 26  2  o 32.29612 7.315555  311.3897       113.2725 271.3932       
161.0517 350.5428       159.3449 30.13280 10.43119 34.45944 10.25961 -4.326643 
14.63111 
1 1 1 -15 26  3  o 22.73644 6.467610  84.41476       104.1797 210.1449       
146.4971 -44.22451      148.1822 27.47265 9.904585 18.00023 8.319803 9.472424 
12.93522 
1 1 1 -15 26  4  o 23.99018 7.070045  118.3113       119.1689 75.68885       
166.9237 162.6152       170.1843 22.39188 9.681566 25.58848 10.30580 -3.196596 
14.14009 
1 1 1 -15 26  5  o 21.28205 6.088354  -49.63908      106.4928 -308.0738      
146.0403 243.8243       155.6232 13.21099 6.581250 29.35312 10.24497 -16.14214 
12.17671 
1 1 1 -15 26  6  o 42.53416 6.472431  504.2366       112.4741 365.3664       
178.8089 595.1564       144.6817 35.11173 10.95367 49.95660 6.898298 -14.84487 
12.94486 
1 1 1 -15 26  7  o 19.46824 6.128508  9.474836       101.6373 -62.75267      
167.8997 51.25041       127.6909 18.79905 8.752802 20.13744 8.580379 -1.338390 
12.25702 
1 1 1 -15 26  8  o 39.28647 6.769931  388.8027       109.7753 590.2693       
182.5784 274.7375       137.3803 46.91015 9.601658 31.66279 9.546518 15.24737 
13.53986 
1 1 1 -15 26  9  o 27.71069 7.166805  140.8383       103.0194 389.0130       
199.8586 51.03822       120.2216 35.63130 11.63264 19.79008 8.374610 15.84122 
14.33361 
1 1 1 -15 26  10 o 39.27053 5.912511  275.1917       99.59782 819.0350       
197.1949 88.94720       115.3986 57.27343 8.200937 21.26762 8.519143 36.00581 
11.82502 
1 1 1 -15 26  11 o 24.30642 6.677311  77.48307       98.76651 292.4980       
175.2398 -22.61317      119.5659 31.55478 10.88506 17.05807 7.737016 14.49671 
13.35462 
1 1 1 -15 26  12 o 80.44417 6.309960  1663.544       212.4632 1842.227       
312.6926 1510.306       289.5741 84.64512 8.799069 76.24323 9.046477 8.401894 
12.61992 
1 1 1 -15 26  13 o 32.59466 6.775430  203.1551       105.2705 587.8039       
197.8875 51.33888       124.3213 45.32499 10.58134 19.86433 8.465281 25.46066 
13.55086 
1 1 1 -15 26  14 o 23.65264 6.841916  106.2625       101.5464 204.7238       
180.6134 60.75285       122.7917 27.20668 10.73765 20.09860 8.482340 7.108084 
13.68383 
1 1 1 -15 26  15 o 27.90889 6.498349  184.1568       96.85313 365.6184       
151.5811 58.96062       125.9065 35.77016 9.805347 20.04763 8.530493 15.72253 
12.99670 
1 1 1 -15 26  16 o 27.23994 6.865578  188.8938       98.22681 318.5997       
163.1758 115.1819       123.0112 32.23616 10.51102 22.24372 8.835336 9.992449 
13.73116 
1 1 1 -15 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -15 26  18 o 19.85918 6.009367  65.21103       87.58499 91.75090       
138.5384 47.54089       113.0422 21.16368 8.974626 18.55469 7.994128 2.608988 
12.01873 
1 1 1 -15 26  19 o 37.37170 6.245223  386.9592       97.94211 546.1584       
151.1759 271.8031       128.5748 44.65699 8.372481 30.08642 9.268915 14.57058 
12.49045 
1 1 1 -15 26  20 o 21.98705 6.305502  121.7438       89.98122 144.0173       
138.5397 105.4919       118.3398 22.98260 9.280977 20.99150 8.538203 1.991102 
12.61100 
1 1 1 -15 27  1  f 28.19480 6.686175  233.1299       110.4884 50.71605       
158.4083 405.9482       154.1857 20.12273 9.026602 36.26687 9.866114 -16.14414 
13.37235 
1 1 1 -15 27  2  o 21.62619 6.638230  96.83624       111.1237 94.22033       
170.1779 98.78075       146.7230 21.81902 9.603595 21.43335 9.167081 0.3856640 
13.27646 
1 1 1 -15 27  3  o 20.01406 6.409144  20.76268       118.1202 -53.70553      
165.2252 98.60865       168.9308 17.96909 8.449203 22.05902 9.639474 -4.089937 
12.81829 
1 1 1 -15 27  4  o 42.60879 6.597115  517.7247       115.0994 432.8369       
158.7217 611.8741       167.1560 38.06576 9.856334 47.15182 8.771566 -9.086056 
13.19423 
1 1 1 -15 27  5  o 21.19369 6.504722  67.95654       108.9589 6.998936       
150.6194 134.8771       157.8144 19.00175 8.637554 23.38563 9.728221 -4.383886 
13.00944 
1 1 1 -15 27  6  o 21.50407 6.282936  13.27952       117.8319 -324.4831      
187.0868 235.3559       151.7010 15.08591 7.506003 27.92224 10.07775 -12.83632 
12.56587 
1 1 1 -15 27  7  o 30.46860 7.254854  280.6603       107.4079 299.4843       
181.2886 270.4789       133.3278 30.42679 11.01331 30.51040 9.446624 
-0.8360863E-01 14.50971 
1 1 1 -15 27  8  o 21.56794 6.512033  46.14870       101.9956 202.4287       
173.9158 -35.78171      125.9244 26.43455 10.50382 16.70134 7.700397 9.733204 
13.02407 
1 1 1 -15 27  9  o 18.42929 5.988832  -17.26188      103.4316 -23.64934      
170.0815 -13.51338      130.2931 19.25913 8.906152 17.59945 8.009052 1.659674 
11.97766 
1 1 1 -15 27  10 o 19.63553 6.191724  31.87057       96.48652 41.27069       
176.4015 27.85771       115.2558 21.11264 9.495996 18.15841 7.948325 2.954227 
12.38345 
1 1 1 -15 27  11 o 25.69666 6.830731  118.7075       102.6045 368.6805       
181.9528 2.155937       124.2428 33.69250 11.09932 17.70082 7.964967 15.99168 
13.66146 
1 1 1 -15 27  12 o 24.93908 6.549587  19.53053       104.1757 427.4247       
188.6717 -159.3662      124.9494 36.10179 11.24955 13.77636 6.710895 22.32542 
13.09917 
1 1 1 -15 27  13 o 17.03583 5.721029  -75.46819      101.8125 -37.45973      
178.5307 -93.78690      123.9424 19.07308 8.930788 14.99859 7.152742 4.074486 
11.44206 
1 1 1 -15 27  14 o 48.86033 6.754520  592.7650       119.9911 935.5688       
242.7822 481.9645       138.0273 55.14461 10.87381 42.57605 8.015891 12.56856 
13.50904 
1 1 1 -15 27  15 o 51.50131 6.278237  489.2921       115.8284 1494.357       
261.8488 244.7857       129.1513 74.42854 8.379771 28.57407 9.351175 45.85447 
12.55647 
1 1 1 -15 27  16 o 25.90560 6.749797  182.0574       97.41799 306.9041       
157.4940 104.6889       123.9817 30.64984 10.32640 21.16135 8.695086 9.488489 
13.49959 
1 1 1 -15 27  17 o 19.83685 6.007047  59.81571       96.22743 -61.56947      
155.7991 134.6804       122.3547 17.22861 8.131190 22.44509 8.844331 -5.216484 
12.01409 
1 1 1 -15 28  6  o 32.94760 7.072814  366.7467       118.8870 212.4679       
184.3424 476.6113       155.5611 25.69886 10.58823 40.19634 9.380204 -14.49748 
14.14563 
1 1 1 -15 28  7  f 30.19466 6.436024  296.5464       105.8614 98.77359       
173.1215 414.6619       133.7893 21.90442 9.659926 38.48490 8.507376 -16.58048 
12.87205 
1 1 1 -15 28  8  o 30.79535 7.412794  310.6263       112.5341 351.4809       
182.9829 285.7747       142.7140 31.50883 11.09823 30.08186 9.829923 1.426968 
14.82559 
1 1 1 -15 28  9  o 20.39535 6.043185  49.17738       106.9847 -288.0395      
200.1685 184.0292       126.5813 15.81430 7.853935 24.97640 9.186731 -9.162106 
12.08637 
1 1 1 -15 28  10 o 25.72878 7.055306  187.3754       107.1465 300.8283       
175.3176 119.7346       135.3698 29.50902 10.81569 21.94854 9.062579 7.560480 
14.11061 
1 1 1 -15 28  11 o 23.21151 6.749130  100.8812       102.9623 289.2350       
180.9372 10.68027       125.2121 28.79804 10.90159 17.62499 7.959791 11.17305 
13.49826 
1 1 1 -15 28  12 o 19.61320 6.272663  11.87476       102.7067 142.3039       
181.9970 -49.07316      124.4103 23.35009 10.10273 15.87632 7.437743 7.473767 
12.54533 
1 1 1 -14 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 1  o 63.85050 3.975070  866.1771       106.5585 866.1771       
106.5585 0.000000       0.000000 63.85050 3.975070 ?        ?        ? ? 
1 1 1 -14 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 1  o 105.5226 1.649269  2349.436       72.64728 2385.060       
98.05969 2306.095       108.1587 106.4314 2.194532 104.6138 2.462597 1.817581 
3.298538 
1 1 1 -14 -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 1  o 20.88202 4.337704  102.6497       39.73592 121.1416       
45.32103 41.18762       82.62516 23.46882 4.765589 18.29522 7.249267 5.173601 
8.675408 
1 1 1 -14 -24 2  o 79.31389 1.678138  1308.035       54.06633 1261.177       
67.76986 1390.076       89.67244 77.41398 2.085155 81.21379 2.629967 -3.799812 
3.356277 
1 1 1 -14 -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 1  o 17.32945 4.539426  51.19115       44.62060 76.47125       
51.61911 -23.53788      88.74947 18.96838 5.878881 15.69051 6.918404 3.277868 
9.078853 
1 1 1 -14 -23 2  o 67.89795 2.032074  957.1588       56.63017 907.0522       
72.00369 1038.416       91.69343 65.62627 2.613353 70.16963 3.112505 -4.543365 
4.064148 
1 1 1 -14 -23 3  o 102.3365 1.722450  2205.470       73.93002 2206.115       
102.2995 2204.765       106.9619 102.3595 2.380491 102.3135 2.490102 
0.4598236E-01  3.444901 
1 1 1 -14 -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 1  o 66.77914 2.956891  939.8547       81.81391 930.2379       
107.1195 953.3182       126.7457 66.40099 3.842510 67.15729 4.495324 
-0.7562943     5.913783 
1 1 1 -14 -22 2  o 51.96537 2.850151  605.9341       58.04480 448.7904       
92.98695 706.2583       74.29786 46.03163 4.811569 57.89912 3.056507 -11.86749 
5.700301 
1 1 1 -14 -22 3  o 89.62930 2.208873  1685.471       81.10256 1730.393       
130.5648 1657.248       103.4897 90.55701 3.434196 88.70159 2.778987 1.855415 
4.417745 
1 1 1 -14 -22 4  o 64.67285 2.268804  890.5440       60.04515 844.8200       
94.94851 921.0172       77.51318 63.23660 3.576356 66.10910 2.792772 -2.872501 
4.537609 
1 1 1 -14 -22 5  o 75.99330 2.629225  1222.759       83.74530 1306.797       
118.6630 1139.369       118.2058 78.61605 3.595216 73.37056 3.837409 5.245491 
5.258449 
1 1 1 -14 -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 1  o 63.35844 3.054827  851.0652       79.42589 866.0971       
102.5640 828.5453       125.5364 64.09830 3.811267 62.61858 4.775157 1.479721 
6.109654 
1 1 1 -14 -21 2  o 19.69294 4.756545  75.67039       46.92700 78.25309       
71.80138 73.74459       62.00149 20.13929 6.965595 19.24658 6.479148 0.8927135 
9.513090 
1 1 1 -14 -21 3  o 117.6880 2.576655  2968.437       118.6035 2788.161       
206.6585 3056.978       144.8295 114.8747 4.284990 120.5012 2.862774 -5.626411 
5.153311 
1 1 1 -14 -21 4  o 45.07772 3.180148  438.2282       58.98563 490.4165       
79.29308 373.5653       88.26247 48.18415 3.919694 41.97129 5.008928 6.212860 
6.360296 
1 1 1 -14 -21 5  o 33.98536 3.213934  242.4417       45.44325 261.8601       
70.06184 228.3394       59.70612 35.13371 4.749836 32.83701 4.330882 2.296700 
6.427867 
1 1 1 -14 -21 6  o 104.9526 2.404723  2325.573       102.5117 2330.538       
167.7440 2322.614       129.5095 104.9602 3.806653 104.9449 2.939417 
0.1530457E-01  4.809447 
1 1 1 -14 -21 7  o 58.56667 2.219107  716.6995       53.44049 761.0737       
85.71213 688.4794       68.35283 60.00381 3.402393 57.12952 2.849817 2.874298 
4.438213 
1 1 1 -14 -21 8  f 101.0669 2.472814  2145.847       87.15604 2191.919       
185.7929 2132.848       98.68844 101.5237 4.358957 100.6101 2.336393 0.9136581 
4.945628 
1 1 1 -14 -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -20 1  o 172.1681 3.491775  6244.735       249.4116 6144.211       
327.2664 6384.012       385.2198 170.6015 4.569194 173.7347 5.281329 -3.133118 
6.983550 
1 1 1 -14 -20 2  o 62.71762 3.067687  818.8703       80.14700 743.0667       
105.6023 921.8518       123.0859 59.34787 4.238275 66.08737 4.436196 -6.739498 
6.135374 
1 1 1 -14 -20 3  o 83.90800 2.342442  1484.683       82.16206 1460.731       
121.4504 1504.895       111.5672 83.26965 3.474026 84.54636 3.143131 -1.276703 
4.684884 
1 1 1 -14 -20 4  o 66.24760 2.274834  918.4695       61.96236 953.2294       
98.94615 896.0439       79.47521 67.25120 3.504451 65.24400 2.901431 2.007202 
4.549667 
1 1 1 -14 -20 5  o 133.3880 2.599831  3743.740       130.4330 3777.702       
247.8047 3730.725       153.4026 133.6540 4.416197 133.1220 2.744758 0.5320282 
5.199663 
1 1 1 -14 -20 6  f 60.36449 2.351967  777.0750       57.46555 735.7391       
93.40631 802.2487       72.89303 59.01683 3.769827 61.71215 2.813432 -2.695316 
4.703934 
1 1 1 -14 -20 7  o 94.14140 2.517002  1822.207       87.81329 1980.220       
173.8219 1768.060       101.7527 96.67200 4.282771 91.61079 2.645576 5.061218 
5.034004 
1 1 1 -14 -20 8  o 103.4162 2.234782  2260.156       92.83709 2250.957       
155.6526 2265.236       115.6619 103.1652 3.593718 103.6673 2.657478 
-0.5020447     4.469564 
1 1 1 -14 -20 9  o 77.93741 2.304594  1283.525       73.19337 1286.603       
118.7903 1281.641       92.92931 77.94679 3.629976 77.92802 2.840404 
0.1876831E-01  4.609189 
1 1 1 -14 -20 10 o 73.67906 2.910443  1173.416       87.64841 1061.480       
136.8665 1251.235       114.1186 70.52637 4.622390 76.83176 3.537827 -6.305397 
5.820886 
1 1 1 -14 -20 11 o 17.21091 4.668303  6.535900       52.30222 108.3203       
83.74052 -58.56498      66.97128 22.57576 7.529822 11.84607 5.520325 10.72969 
9.336606 
1 1 1 -14 -20 12 o 43.75319 3.391520  383.0606       59.56467 517.6749       
104.8100 318.8421       72.39143 48.95879 5.099097 38.54758 4.473125 10.41121 
6.783040 
1 1 1 -14 -20 13 o 20.53016 4.904550  74.36777       49.91161 141.9453       
85.15360 39.00052       61.60312 24.88282 7.518697 16.17750 6.299810 8.705317 
9.809099 
1 1 1 -14 -20 14 o 50.06904 3.115225  550.5473       63.09073 506.2654       
101.5339 578.3986       80.52296 48.18700 5.018826 51.95107 3.691869 -3.764065 
6.230450 
1 1 1 -14 -20 15 o 68.90598 2.961386  1000.164       80.66862 1110.776       
143.0819 948.6207       97.67171 71.30830 4.779314 66.50365 3.498197 4.804649 
5.922772 
1 1 1 -14 -20 16 o 23.41179 5.302909  126.4526       59.51769 158.8217       
87.72967 98.85057       81.01250 25.67134 7.606429 21.15224 7.390915 4.519106 
10.60582 
1 1 1 -14 -20 17 o 18.51158 4.582536  8.074664       58.14126 166.6151       
85.66410 -127.3322      79.16790 26.07100 7.451315 10.95216 5.336332 15.11883 
9.165071 
1 1 1 -14 -20 18 o 49.67588 3.563113  569.0059       71.06024 485.9255       
112.8332 623.6182       91.48140 46.03793 5.837707 53.31384 4.087088 -7.275902 
7.126226 
1 1 1 -14 -20 19 o 15.16459 4.809222  -17.35437      62.46478 19.56442       
98.29758 -42.36087      80.89944 17.00867 7.392737 13.32052 6.153201 3.688148 
9.618443 
1 1 1 -14 -20 20 o 19.39907 5.333286  69.51653       66.19955 147.8640       
98.75627 5.583293       89.21040 23.30117 8.158507 15.49697 6.871283 7.804199 
10.66657 
1 1 1 -14 -19 1  o 60.37447 2.886614  752.9425       72.06837 683.9829       
92.70983 858.2464       114.5646 56.96584 3.876434 63.78310 4.278248 -6.817265 
5.773227 
1 1 1 -14 -19 2  f 123.3021 2.766442  3184.887       142.6247 2997.140       
191.4399 3419.082       213.8132 119.2548 3.823647 127.3494 3.999066 -8.094666 
5.532884 
1 1 1 -14 -19 3  o 133.2493 2.786631  3795.026       145.8195 3592.735       
252.6985 3896.014       178.5451 130.4457 4.614173 136.0528 3.125804 -5.607056 
5.573261 
1 1 1 -14 -19 4  o 112.8891 2.698562  2697.955       115.0706 2659.379       
215.8546 2713.271       136.0082 112.2199 4.581553 113.5583 2.852774 -1.338394 
5.397124 
1 1 1 -14 -19 5  o 108.6298 2.518060  2552.907       108.0761 2281.712       
182.0231 2700.571       134.3145 103.9765 4.169775 113.2832 2.824090 -9.306717 
5.036120 
1 1 1 -14 -19 6  o 94.86559 2.226032  1908.525       87.00272 1826.894       
135.2580 1966.137       113.6297 93.08850 3.460892 96.64268 2.800555 -3.554176 
4.452065 
1 1 1 -14 -19 7  o 39.39548 3.202752  325.4399       52.59334 354.6241       
80.41093 303.6215       69.52697 40.91246 4.681451 37.87851 4.372014 3.033951 
6.405505 
1 1 1 -14 -19 8  o 21.31935 4.349798  98.27062       45.46111 30.54922       
68.53044 151.4935       60.75328 16.48313 6.579725 26.15557 5.691238 -9.672443 
8.699596 
1 1 1 -14 -19 9  o 23.94363 3.736242  119.0252       43.36951 238.3328       
62.86416 10.66754       59.90993 33.50606 4.468902 14.38121 5.988900 19.12485 
7.472484 
1 1 1 -14 -19 10 o 53.88307 2.606606  635.1667       56.44770 533.2018       
89.66938 702.0967       72.64891 50.10262 4.262896 57.66352 3.000882 -7.560902 
5.213212 
1 1 1 -14 -19 11 o 50.92480 2.705099  574.4936       54.86785 458.9487       
87.32122 649.8742       70.53013 46.40334 4.482204 55.44625 3.029867 -9.042908 
5.410198 
1 1 1 -14 -19 12 o 49.87373 3.299193  532.7942       64.50163 531.8579       
113.5223 533.2406       78.38321 49.66483 5.444440 50.08263 3.727838 
-0.4177971     6.598387 
1 1 1 -14 -19 13 o 22.07097 5.208671  102.2408       56.44295 124.1563       
85.64259 85.41228       75.04744 23.68502 7.607293 20.45691 7.116889 3.228115 
10.41734 
1 1 1 -14 -19 14 o 17.78677 4.887291  33.23070       58.81547 -59.30173      
92.83148 95.28328       76.02007 14.43812 6.638639 21.13543 7.174324 -6.697311 
9.774582 
1 1 1 -14 -19 15 f 36.10827 4.305409  280.9733       62.70195 357.6326       
102.0765 234.5205       79.46006 40.15846 6.054381 32.05807 6.122962 8.100384 
8.610819 
1 1 1 -14 -19 16 o 50.91259 3.408878  556.7502       71.08337 612.3093       
115.9288 523.2766       89.98399 52.72861 5.236804 49.09658 4.365511 3.632030 
6.817756 
1 1 1 -14 -19 17 f 23.62047 4.926346  134.7165       61.77299 7.057957       
100.9526 211.1231       78.10126 17.25850 7.496472 29.98245 6.393627 -12.72396 
9.852693 
1 1 1 -14 -19 18 o 18.27291 5.251973  43.11596       63.10831 79.71983       
97.00533 16.25568       83.09736 20.35050 7.909398 16.19532 6.911895 4.155178 
10.50395 
1 1 1 -14 -19 19 o 16.45249 5.041010  -19.57215      67.63932 76.29858       
102.2529 -94.15945      90.19136 20.16465 8.040980 12.74032 6.081921 7.424334 
10.08202 
1 1 1 -14 -19 20 o 35.09217 5.261589  303.0279       77.03815 434.4275       
117.8227 204.9014       101.8181 42.47433 6.607289 27.71000 8.190300 14.76433 
10.52318 
1 1 1 -14 -19 21 f 24.95747 5.956112  169.4028       73.98286 225.1839       
114.4993 129.4225       96.93555 27.81129 8.782316 22.10365 8.048107 5.707638 
11.91222 
1 1 1 -14 -18 1  f 134.7760 2.855181  3821.075       161.1030 3717.465       
218.5693 3944.325       238.3866 132.7974 3.920312 136.7546 4.152033 -3.957230 
5.710361 
1 1 1 -14 -18 2  o 91.16194 2.729195  1732.239       102.7593 1649.866       
132.4960 1856.576       162.7824 88.49974 3.566005 93.82415 4.132509 -5.324409 
5.458390 
1 1 1 -14 -18 3  o 80.84189 2.459432  1345.740       78.39325 1464.821       
139.4982 1290.776       94.77394 83.35626 3.986130 78.32752 2.882011 5.028740 
4.918864 
1 1 1 -14 -18 4  o 92.00053 2.555054  1791.060       91.48629 1761.479       
162.8927 1804.691       110.5728 91.38152 4.245845 92.61954 2.843590 -1.238022 
5.110108 
1 1 1 -14 -18 5  o 139.1448 2.696267  4106.757       145.2224 4013.011       
260.6727 4148.947       174.8739 137.8750 4.503300 140.4145 2.966429 -2.539490 
5.392533 
1 1 1 -14 -18 6  o 129.9367 2.625293  3583.342       134.2372 3487.684       
233.4486 3630.595       164.0759 128.5363 4.326001 131.3370 2.975628 -2.800720 
5.250586 
1 1 1 -14 -18 7  o 101.9576 2.590277  2219.381       102.5300 2120.097       
181.9549 2265.573       124.1100 100.1731 4.326471 103.7421 2.849526 -3.569038 
5.180555 
1 1 1 -14 -18 8  o 173.9094 2.927515  6378.389       213.4866 6077.929       
293.3133 6716.876       311.3221 169.5702 4.120057 178.2486 4.160110 -8.678391 
5.855031 
1 1 1 -14 -18 9  o 50.45766 2.637256  539.5333       54.52078 531.1068       
86.81068 545.0219       70.06197 50.09343 4.127750 50.82188 3.283618 
-0.7284546     5.274511 
1 1 1 -14 -18 10 o 55.26184 2.352559  646.6466       54.41293 619.5326       
79.07484 671.0320       74.99050 54.14294 3.478705 56.38073 3.168083 -2.237793 
4.705118 
1 1 1 -14 -18 11 o 78.96954 2.394414  1328.476       77.18285 1275.720       
123.2931 1362.474       98.97594 77.59848 3.784483 80.34061 2.934375 -2.742126 
4.788827 
1 1 1 -14 -18 12 o 25.97028 3.717162  161.0367       49.18801 -29.82858      
74.53355 308.3013       65.46928 13.85906 6.204907 38.08150 4.094913 -24.22243 
7.434325 
1 1 1 -14 -18 13 o 24.85686 5.575932  108.4964       63.62136 220.7248       
115.8020 59.97644       76.14210 30.89248 8.610703 18.82125 7.086596 12.07124 
11.15186 
1 1 1 -14 -18 14 o 94.99192 3.102336  1926.805       116.6531 1957.863       
202.3752 1911.351       142.7553 95.23512 5.061524 94.74872 3.588724 0.4864044 
6.204673 
1 1 1 -14 -18 15 o 45.46478 4.057408  457.0377       72.85718 438.5865       
124.7110 466.5981       89.76938 44.42414 6.686623 46.50543 4.597753 -2.081295 
8.114817 
1 1 1 -14 -18 16 o 39.71725 4.455009  354.1621       70.25855 362.4738       
114.2935 349.1134       89.07639 39.52275 7.150444 39.91175 5.315974 
-0.3889999     8.910018 
1 1 1 -14 -18 17 o 32.75168 5.035280  269.5587       69.55986 146.6844       
106.4693 361.0659       91.88020 25.09282 8.490419 40.41054 5.415622 -15.31772 
10.07056 
1 1 1 -14 -18 18 o 25.96607 5.580043  139.0256       72.60169 276.1449       
113.9537 45.33661       94.19398 33.39803 8.180656 18.53410 7.591074 14.86393 
11.16009 
1 1 1 -14 -18 19 o 75.16920 3.695471  1183.506       105.2435 1463.536       
205.3288 1083.721       122.5685 79.94285 6.117743 70.39557 4.147196 9.547279 
7.390942 
1 1 1 -14 -18 20 o 26.06179 5.802464  170.4483       73.15125 230.7790       
105.9374 115.4659       101.1328 29.85954 8.202529 22.26404 8.209317 7.595497 
11.60493 
1 1 1 -14 -18 21 o 42.69864 4.774207  453.4070       81.28432 400.9457       
123.4053 493.6100       108.0298 39.38095 7.739758 46.01633 5.591813 -6.635376 
9.548414 
1 1 1 -14 -18 22 o 32.32335 6.138282  286.8064       81.62447 352.4577       
140.7217 253.5184       100.2035 34.15909 9.482574 30.48760 7.797103 3.671484 
12.27656 
1 1 1 -14 -17 1  o 149.4200 3.553883  4709.313       219.4542 4675.837       
285.7338 4757.462       342.6801 148.8551 4.572136 149.9849 5.442049 -1.129852 
7.107765 
1 1 1 -14 -17 2  o 155.0619 3.711483  5046.783       235.0593 5245.506       
382.4806 4926.174       297.9712 157.3739 5.788922 152.7499 4.646376 4.624008 
7.422966 
1 1 1 -14 -17 3  o 195.2202 3.710703  7988.917       270.1458 8218.036       
522.5814 7905.361       315.5840 196.7810 6.325455 193.6594 3.881481 3.121643 
7.421406 
1 1 1 -14 -17 4  o 68.65764 2.556259  961.0214       69.99654 1094.274       
122.7437 896.8033       85.20992 72.03917 4.058368 65.27611 3.109259 6.763062 
5.112518 
1 1 1 -14 -17 5  f 62.73526 2.504626  820.8665       64.13491 862.9662       
104.8229 795.6768       81.08273 63.98577 3.902060 61.48475 3.141102 2.501030 
5.009251 
1 1 1 -14 -17 6  o 75.04028 2.233589  1181.298       69.31967 1208.232       
108.2992 1162.605       90.22332 75.74574 3.405557 74.33482 2.890996 1.410919 
4.467178 
1 1 1 -14 -17 7  o 61.42086 2.479466  791.1223       62.88302 814.7058       
98.92002 775.1287       81.46104 62.16682 3.790065 60.67490 3.197878 1.491924 
4.958933 
1 1 1 -14 -17 8  o 118.7478 2.911315  3028.036       136.5393 2821.612       
232.9264 3136.101       168.5310 115.4898 4.803925 122.0058 3.290185 -6.516052 
5.822629 
1 1 1 -14 -17 9  o 94.08308 2.646201  1888.723       93.87325 1822.227       
175.5833 1915.338       111.0818 92.79253 4.507039 95.37363 2.774187 -2.581093 
5.292401 
1 1 1 -14 -17 10 o 45.79478 2.896833  447.9966       54.11773 424.9810       
86.27604 462.9266       69.48791 44.76915 4.590209 46.82040 3.535047 -2.051250 
5.793666 
1 1 1 -14 -17 11 f 74.31370 2.238950  1180.085       68.78751 1066.172       
103.6777 1269.661       91.93743 71.02816 3.476771 77.59924 2.821993 -6.571075 
4.477899 
1 1 1 -14 -17 12 o 120.4419 3.033542  3083.622       130.0737 3076.699       
267.5353 3085.765       148.8510 119.9762 5.311375 120.9076 2.932373 
-0.9313965     6.067084 
1 1 1 -14 -17 13 o 79.42348 2.581431  1346.050       83.21500 1303.798       
135.1552 1371.847       105.6053 78.30605 4.111105 80.54092 3.123132 -2.234871 
5.162862 
1 1 1 -14 -17 14 o 81.19832 2.999832  1418.151       100.3169 1345.270       
155.5579 1470.040       131.2568 79.25558 4.675019 83.14105 3.760342 -3.885468 
5.999664 
1 1 1 -14 -17 15 o 67.32437 3.461956  977.0312       91.88863 977.0189       
159.9209 977.0374       112.2725 67.01707 5.683825 67.63166 3.954072 
-0.6145859     6.923912 
1 1 1 -14 -17 16 o 23.35016 5.740657  113.2222       68.74419 145.3774       
105.0522 89.14085       90.91168 25.39158 8.433723 21.30875 7.790563 4.082830 
11.48131 
1 1 1 -14 -17 17 o 38.65495 4.730869  340.1153       72.88898 340.9740       
116.9109 339.5693       93.22543 38.07674 7.582282 39.23317 5.659813 -1.156422 
9.461739 
1 1 1 -14 -17 18 o 66.17581 3.259078  953.8383       89.61889 967.4034       
137.1618 943.7335       118.3823 66.41091 4.919431 65.94072 4.276163 0.4701920 
6.518157 
1 1 1 -14 -17 19 o 36.99925 5.148180  334.8694       76.60332 269.4103       
117.6468 383.0486       100.9311 32.76524 8.486547 41.23326 5.830400 -8.468025 
10.29636 
1 1 1 -14 -17 20 o 43.81834 4.729435  458.8490       81.48133 417.8424       
129.7454 485.5542       104.7041 41.18308 7.787668 46.45360 5.368653 -5.270523 
9.458870 
1 1 1 -14 -17 21 f 64.96192 6.021057  979.9147       164.2141 979.9147       
164.2141 0.000000       0.000000 64.96192 6.021057 ?        ?        ? ? 
1 1 1 -14 -17 22 o 17.78716 7.696616  34.03968       105.6496 0.000000       
0.000000 34.03968       105.6496 ?        ?        17.78716 7.696616 ? ? 
1 1 1 -14 -17 23 o 55.08739 4.553905  754.5129       104.1280 702.1617       
154.4427 798.1431       140.9930 52.57310 6.997211 57.60168 5.830200 -5.028576 
9.107809 
1 1 1 -14 -16 1  o 73.55733 3.263020  1123.688       99.99153 979.7728       
132.3759 1314.903       152.5867 68.15611 4.626209 78.95855 4.602974 -10.80244 
6.526039 
1 1 1 -14 -16 2  o 110.9882 3.150493  2596.925       146.7632 2661.076       
210.5050 2536.248       204.7248 112.3202 4.464014 109.6562 4.446910 2.664040 
6.300986 
1 1 1 -14 -16 3  f 83.54196 2.456854  1492.854       82.50596 1385.849       
135.5166 1555.879       104.0029 81.08470 3.980839 85.99923 2.880528 -4.914528 
4.913707 
1 1 1 -14 -16 4  o 68.61646 2.589090  1004.607       73.52285 895.8620       
109.8438 1092.870       98.95982 65.18425 4.013785 72.04866 3.271554 -6.864410 
5.178179 
1 1 1 -14 -16 5  o 88.21223 2.511270  1638.962       87.78397 1639.497       
151.6570 1638.693       107.6514 88.17284 4.096838 88.25163 2.905481 
-0.7879639E-01 5.022539 
1 1 1 -14 -16 6  o 45.22091 2.990495  438.9769       54.99261 397.7834       
87.18383 466.1960       70.86923 43.39741 4.785124 47.04442 3.588151 -3.647011 
5.980989 
1 1 1 -14 -16 7  o 93.53320 2.286349  1837.212       87.31000 1860.931       
141.4065 1822.598       110.9941 93.98943 3.583533 93.07696 2.840396 0.9124756 
4.572697 
1 1 1 -14 -16 8  o 41.42559 3.203282  367.1994       54.04748 341.2357       
86.00546 384.1446       69.48093 40.16636 5.100170 42.68482 3.877156 -2.518467 
6.406564 
1 1 1 -14 -16 9  o 116.5291 2.927688  2881.235       140.0105 2795.623       
221.0386 2938.600       180.9372 115.0026 4.578060 118.0555 3.650588 -3.052887 
5.855375 
1 1 1 -14 -16 10 o 119.9216 2.473904  3042.687       123.4038 2963.215       
186.3290 3104.783       164.7036 118.4798 3.745908 121.3633 3.232486 -2.883514 
4.947807 
1 1 1 -14 -16 11 o 98.11395 2.860744  2013.201       106.6020 2091.796       
200.6641 1982.298       125.8260 99.27363 4.814563 96.95428 3.091182 2.319351 
5.721488 
1 1 1 -14 -16 12 o 102.7544 2.150138  2225.912       92.67881 2182.521       
127.9979 2273.729       134.3694 101.7102 2.997502 103.7986 3.083401 -2.088387 
4.300277 
1 1 1 -14 -16 13 o 126.4298 2.699471  3376.401       137.3694 3426.062       
230.2915 3348.971       171.1530 126.9821 4.319729 125.8776 3.238598 1.104431 
5.398942 
1 1 1 -14 -16 14 f 76.10782 2.683843  1149.205       77.91557 1424.877       
151.0359 1049.238       90.95230 81.77524 4.399257 70.44039 3.075481 11.33485 
5.367685 
1 1 1 -14 -16 15 o 47.35017 3.184391  487.4143       60.47707 451.7175       
99.57869 508.2757       76.12444 45.81079 5.177495 48.88956 3.708762 -3.078777 
6.368781 
1 1 1 -14 -16 16 o 62.17287 3.292408  833.6377       83.39019 823.3400       
134.7390 840.0309       106.1661 61.67209 5.203863 62.67364 4.034801 -1.001553 
6.584817 
1 1 1 -14 -16 17 o 24.66151 5.734933  119.6197       71.33394 213.1750       
112.3283 56.39069       92.34499 29.91888 8.526641 19.40414 7.671650 10.51475 
11.46987 
1 1 1 -14 -16 18 o 16.03933 5.149821  -43.95996      73.44794 -27.10946      
118.8452 -54.37301      93.42529 17.53408 7.843119 14.54459 6.675936 2.989487 
10.29964 
1 1 1 -14 -16 19 o 36.71230 6.117883  318.3011       91.62476 427.5939       
148.1637 250.6240       116.5914 41.61634 8.756177 31.80825 8.546540 9.808090 
12.23577 
1 1 1 -14 -16 20 f 39.41090 10.49687  420.2404       176.8397 0.000000       
0.000000 420.2404       176.8397 ?        ?        39.41090 10.49687 ? ? 
1 1 1 -14 -16 21 o 30.69744 6.217283  244.1091       83.88867 265.9948       
125.7694 226.5686       112.5940 31.78709 9.010671 29.60780 8.568911 2.179283 
12.43457 
1 1 1 -14 -16 22 o 28.77314 6.287335  224.9085       84.31102 249.3414       
116.5571 198.0948       122.1038 30.47126 8.686167 27.07503 9.092461 3.396223 
12.57467 
1 1 1 -14 -16 23 o 42.57648 5.236093  465.5327       91.16985 418.9948       
127.7470 513.8408       130.1539 39.67484 7.949776 45.47813 6.816725 -5.803299 
10.47219 
1 1 1 -14 -15 1  o 168.3164 3.884722  5977.951       273.6339 6027.449       
404.2108 5936.079       371.7744 168.9220 5.699577 167.7108 5.280066 1.211197 
7.769445 
1 1 1 -14 -15 2  o 93.49718 3.071918  1841.992       120.3512 1691.717       
168.2477 1999.459       172.2265 89.58160 4.473541 97.41276 4.211195 -7.831154 
6.143836 
1 1 1 -14 -15 3  o 167.1627 3.067984  5919.053       212.5072 5711.700       
324.8331 6074.194       280.9759 164.5274 4.702655 169.7980 3.941465 -5.270569 
6.135969 
1 1 1 -14 -15 4  o 54.61205 2.835818  640.4916       63.79030 537.0063       
94.42257 727.3811       86.52068 50.45104 4.457863 58.77307 3.506410 -8.322025 
5.671636 
1 1 1 -14 -15 5  o 171.6311 3.475240  6209.254       216.5840 6253.603       
434.2529 6194.570       249.8819 171.7583 6.022073 171.5038 3.470419 0.2544861 
6.950480 
1 1 1 -14 -15 6  o 117.7121 2.913313  2914.802       129.0857 2939.016       
244.9018 2905.487       151.8997 117.9290 4.946434 117.4951 3.079344 0.4339600 
5.826626 
1 1 1 -14 -15 7  o 53.08519 2.719503  580.4798       59.12255 653.4816       
96.92847 537.2271       74.60900 55.66575 4.147481 50.50463 3.518691 5.161118 
5.439006 
1 1 1 -14 -15 8  o 120.0084 2.731804  3037.147       133.0949 3029.272       
217.8312 3041.839       168.1275 119.8218 4.330174 120.1950 3.331757 
-0.3732452     5.463608 
1 1 1 -14 -15 9  o 62.13380 2.611962  830.6725       66.48885 717.4431       
101.5109 915.7482       87.99061 58.31579 4.146175 65.95181 3.177830 -7.636017 
5.223924 
1 1 1 -14 -15 10 o 84.79956 2.681470  1534.864       90.91460 1455.647       
152.0025 1578.989       113.4430 83.01029 4.361539 86.58883 3.120592 -3.578537 
5.362939 
1 1 1 -14 -15 11 o 91.20609 2.589545  1769.766       97.15947 1680.602       
151.3687 1832.242       126.7059 89.18303 4.042732 93.22916 3.237174 -4.046127 
5.179090 
1 1 1 -14 -15 12 o 67.19590 2.299119  962.9067       64.15319 832.6175       
93.08780 1080.766       88.53590 62.78937 3.531244 71.60242 2.945186 -8.813053 
4.598239 
1 1 1 -14 -15 13 o 15.84356 4.464132  -14.25503      48.68221 85.28195       
79.99020 -72.81280      61.35313 20.95760 7.342109 10.72953 5.080093 10.22807 
8.928265 
1 1 1 -14 -15 14 o 95.90460 2.914788  1883.980       104.4099 2104.670       
205.2688 1806.954       121.2696 99.33092 4.922203 92.47829 3.123440 6.852631 
5.829576 
1 1 1 -14 -15 15 o 36.50656 4.197662  300.9139       58.80969 263.7895       
98.27242 321.6269       73.40466 34.18467 7.085557 38.82845 4.502925 -4.643772 
8.395324 
1 1 1 -14 -15 16 o 63.90915 2.952511  911.0761       74.99957 724.5607       
119.5726 1032.047       96.29729 58.06983 4.904583 69.74847 3.288519 -11.67864 
5.905022 
1 1 1 -14 -15 17 o 70.45305 3.421880  1097.420       93.85092 995.7345       
162.7374 1148.092       114.8790 67.55835 5.737589 73.34774 3.730567 -5.789391 
6.843760 
1 1 1 -14 -15 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -15 19 o 21.02784 5.854072  63.78457       79.62561 -0.8396026     
114.4785 124.3503       110.8255 18.12393 7.927446 23.93174 8.616046 -5.807810 
11.70814 
1 1 1 -14 -15 20 o 25.64771 5.936405  138.5852       89.36775 -33.18922      
135.4413 271.0359       118.9321 18.27666 8.265013 33.01877 8.523684 -14.74211 
11.87281 
1 1 1 -14 -15 21 o 29.84394 6.708861  229.6456       93.85575 257.2409       
142.1237 208.3040       124.9859 31.18077 9.773252 28.50711 9.193412 2.673660 
13.41772 
1 1 1 -14 -15 22 o 19.02868 5.896409  19.13272       89.90874 14.54492       
126.9780 23.74549       127.3230 18.85884 8.298151 19.19853 8.379213 
-0.3396893     11.79282 
1 1 1 -14 -15 23 o 32.63273 5.935761  280.6188       80.83414 260.4624       
105.1372 309.7592       126.4148 31.55560 7.937282 33.70986 8.827945 -2.154257 
11.87152 
1 1 1 -14 -15 24 o 39.23669 5.235157  389.8244       83.73508 320.2299       
109.3991 488.2722       130.1156 34.57486 7.732067 43.89853 7.059930 -9.323669 
10.47031 
1 1 1 -14 -14 1  o 101.5893 2.974854  2169.629       126.7785 2061.607       
175.6624 2287.064       183.1559 98.95251 4.228371 104.2260 4.185678 -5.273514 
5.949708 
1 1 1 -14 -14 2  o 136.7048 3.211523  3951.241       183.3015 4083.755       
249.0614 3794.643       270.7493 139.2451 4.260374 134.1646 4.806739 5.080505 
6.423047 
1 1 1 -14 -14 3  o 131.0110 2.685939  3602.467       145.6474 3679.427       
226.8591 3548.501       189.9689 132.1671 4.088407 129.8549 3.484538 2.312119 
5.371878 
1 1 1 -14 -14 4  o 172.2114 3.306128  6274.289       236.2868 6133.975       
360.4396 6380.032       312.9003 170.4498 5.036828 173.9731 4.283957 -3.523239 
6.612255 
1 1 1 -14 -14 5  o 130.8991 3.058759  3669.842       160.4800 3417.436       
265.4919 3815.160       201.4477 127.1993 4.971502 134.5989 3.564855 -7.399559 
6.117518 
1 1 1 -14 -14 6  o 98.94687 2.752473  2000.591       98.77101 2189.515       
202.4821 1941.599       113.1456 101.8220 4.736592 96.07174 2.805196 5.750259 
5.504946 
1 1 1 -14 -14 7  o 159.6281 3.628287  5522.782       209.3080 5119.333       
413.5489 5661.723       242.6874 155.3074 6.342433 163.9489 3.525818 -8.641495 
7.256573 
1 1 1 -14 -14 8  o 77.29276 2.386692  1260.301       75.09397 1248.173       
121.8688 1267.725       95.34533 76.96301 3.771652 77.62251 2.925721 
-0.6594925     4.773385 
1 1 1 -14 -14 9  o 165.6815 3.673684  5796.087       220.5827 5822.040       
443.1969 5787.541       254.3195 165.6213 6.373845 165.7416 3.654847 
-0.1202850     7.347368 
1 1 1 -14 -14 10 o 105.2352 2.848273  2375.437       120.0449 2197.567       
198.5519 2477.917       150.7103 101.9967 4.636702 108.4738 3.309324 -6.477119 
5.696546 
1 1 1 -14 -14 11 f 77.04052 2.429039  1224.019       75.76868 1350.580       
127.6161 1155.117       94.16129 80.01579 3.798838 74.06525 3.028162 5.950546 
4.858079 
1 1 1 -14 -14 12 o 54.58862 2.937918  633.8938       64.37469 616.3916       
107.4219 643.7014       80.41337 53.93846 4.743680 55.23877 3.467411 -1.300308 
5.875835 
1 1 1 -14 -14 13 o 44.05190 3.135692  416.8681       56.71042 316.6072       
79.98322 518.2266       80.41986 38.60224 4.935230 49.50155 3.869596 -10.89931 
6.271385 
1 1 1 -14 -14 14 o 162.2423 3.844149  5768.672       232.4725 5289.270       
435.9196 5959.201       274.8125 156.7403 6.624405 167.7443 3.902202 -11.00401 
7.688298 
1 1 1 -14 -14 15 o 65.97948 3.285667  941.8243       87.84724 867.9429       
141.0937 988.5957       112.2610 63.69347 5.276351 68.26550 3.916955 -4.572025 
6.571333 
1 1 1 -14 -14 16 o 23.27547 6.346633  77.71576       88.34950 34.49345       
116.4154 136.4216       135.6742 20.26951 8.388832 26.28143 9.526096 -6.011923 
12.69327 
1 1 1 -14 -14 17 o 116.4271 5.676666  2939.540       277.4767 0.000000       
0.000000 2939.540       277.4767 ?        ?        116.4271 5.676666 ? ? 
1 1 1 -14 -14 18 o 35.49948 5.366041  293.8243       78.82724 237.4669       
116.1432 341.9571       107.3343 31.65854 8.540823 39.34043 6.498610 -7.681896 
10.73208 
1 1 1 -14 -14 19 o 59.03983 3.930848  777.4017       95.67702 670.6946       
142.2924 865.4575       129.2600 54.98394 6.164061 63.09571 4.879613 -8.111774 
7.861696 
1 1 1 -14 -14 20 o 30.64812 6.400955  231.8750       87.75776 239.7593       
130.4204 225.3516       118.6319 31.03445 9.290394 30.26178 8.807807 0.7726688 
12.80191 
1 1 1 -14 -14 21 o 21.79676 5.855376  92.92870       76.90395 135.2397       
100.8821 34.22885       118.8244 24.06029 8.262840 19.53324 8.298625 4.527056 
11.71075 
1 1 1 -14 -14 22 f 46.19959 4.583546  496.5024       88.13343 535.0760       
120.8815 452.7292       128.7713 48.46810 5.940526 43.93108 6.981812 4.537025 
9.167091 
1 1 1 -14 -14 23 o 30.10025 6.309425  243.3791       86.13177 267.9960       
116.8126 214.0488       127.5061 31.97218 8.538428 28.22833 9.291427 3.743849 
12.61885 
1 1 1 -14 -14 24 o 35.08663 5.947106  332.8747       85.81847 332.6796       
112.8276 333.1425       132.1907 35.71049 7.743396 34.46277 9.028405 1.247723 
11.89421 
1 1 1 -14 -14 25 o 23.04774 6.062279  124.7231       82.85504 39.65497       
108.7433 242.4597       127.9306 17.86716 7.770902 28.22832 9.306879 -10.36116 
12.12456 
1 1 1 -14 -13 1  o 28.39848 5.649028  177.5972       70.32899 198.1891       
92.22112 148.9758       108.7245 30.01259 7.364254 26.78436 8.568188 3.228226 
11.29806 
1 1 1 -14 -13 2  o 147.5559 3.664368  4582.586       226.8111 4395.037       
313.1153 4789.636       328.9921 144.3868 5.165327 150.7250 5.199017 -6.338226 
7.328736 
1 1 1 -14 -13 3  o 15.96106 4.735233  6.926248       53.90127 -21.14792      
83.30983 27.13976       70.69093 15.34173 6.736177 16.58039 6.656848 -1.238663 
9.470466 
1 1 1 -14 -13 4  o 143.3861 2.749802  4339.322       165.1197 4118.542       
237.9414 4544.402       229.3258 139.8410 4.052812 146.9312 3.717575 -7.090210 
5.499605 
1 1 1 -14 -13 5  f 76.68317 2.480655  1238.305       75.64304 1236.186       
129.7054 1239.398       93.11803 76.59942 4.033237 76.76692 2.889221 
-0.1675034     4.961310 
1 1 1 -14 -13 6  o 101.5314 2.562292  2108.541       101.8582 2343.040       
184.5236 2005.772       122.1555 105.4209 4.169139 97.64189 2.979874 7.778976 
5.124585 
1 1 1 -14 -13 7  o 70.53221 2.472654  1030.874       70.00632 1104.509       
119.6049 992.5002       86.34149 72.38642 3.935619 68.67799 2.994491 3.708427 
4.945308 
1 1 1 -14 -13 8  f 57.33983 2.692524  678.3254       64.03046 790.0921       
100.5801 602.1624       83.02869 61.22119 3.913194 53.45847 3.699412 7.762722 
5.385048 
1 1 1 -14 -13 9  o 125.3695 2.806339  3359.531       137.9058 3182.045       
239.8801 3447.149       168.5422 122.7624 4.654254 127.9766 3.136888 -5.214294 
5.612678 
1 1 1 -14 -13 10 o 127.7757 2.954267  3457.406       151.0542 3397.654       
254.5312 3489.892       187.6768 126.8260 4.780284 128.7254 3.472700 -1.899429 
5.908533 
1 1 1 -14 -13 11 o 60.28066 2.975860  774.9556       71.46610 740.3432       
120.6330 793.6724       88.70887 59.18037 4.855227 61.38095 3.442346 -2.200577 
5.951720 
1 1 1 -14 -13 12 o 105.7031 2.412812  2353.452       105.5365 2364.176       
163.8719 2345.853       137.9543 105.8728 3.686729 105.5334 3.113626 0.3393707 
4.825623 
1 1 1 -14 -13 13 o 54.26731 3.196000  610.4307       71.44072 464.6335       
94.41838 805.6827       109.2647 46.81648 4.803732 61.71814 4.216848 -14.90166 
6.391999 
1 1 1 -14 -13 14 o 79.10860 2.998442  1304.950       97.07494 1417.805       
158.5110 1237.222       122.7966 81.73415 4.619309 76.48306 3.824214 5.251091 
5.996885 
1 1 1 -14 -13 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -13 16 o 70.28307 4.315591  1050.852       127.3415 0.000000       
0.000000 1050.852       127.3415 ?        ?        70.28307 4.315591 ? ? 
1 1 1 -14 -13 17 o 88.83411 3.114574  1656.031       110.7636 1780.703       
190.3125 1592.168       136.2100 91.11279 4.975183 86.55544 3.748313 4.557350 
6.229149 
1 1 1 -14 -13 18 o 47.46760 4.224464  505.3361       81.44913 412.0035       
123.8587 576.4471       108.1131 43.22336 6.825415 51.71184 4.979770 -8.488480 
8.448929 
1 1 1 -14 -13 19 o 48.90612 3.613462  537.6277       71.35873 642.3864       
95.95786 408.0215       106.7329 54.69633 4.178721 43.11590 5.896332 11.58043 
7.226925 
1 1 1 -14 -13 20 o 48.14144 3.893976  507.0896       77.70584 406.6556       
106.0145 623.6932       114.2301 42.85634 5.892114 53.42654 5.092660 -10.57020 
7.787952 
1 1 1 -14 -13 21 o 31.79400 5.812280  236.1617       76.96276 191.7317       
97.61377 309.1596       125.1204 28.13864 7.926009 35.44937 8.503457 -7.310732 
11.62456 
1 1 1 -14 -13 22 o 60.32738 3.761719  778.2110       92.82239 672.8089       
116.3198 963.0075       154.0195 55.11958 5.026535 65.53518 5.597863 -10.41560 
7.523438 
1 1 1 -14 -13 23 o 42.29587 5.166432  429.5940       89.77959 404.7697       
124.6883 456.3200       129.3765 40.62574 7.592181 43.96599 7.009058 -3.340248 
10.33286 
1 1 1 -14 -13 24 o 82.16602 3.627322  1519.087       123.9353 1825.645       
182.7659 1258.120       168.6284 90.13260 4.829856 74.19943 5.413164 15.93317 
7.254644 
1 1 1 -14 -13 25 o 45.18605 4.741388  505.5674       89.44318 536.5140       
123.6700 471.6259       129.5159 47.07804 6.257015 43.29407 7.125504 3.783974 
9.482776 
1 1 1 -14 -12 1  o 206.6166 6.188951  9005.626       536.8602 9005.626       
536.8602 0.000000       0.000000 206.6166 6.188951 ?        ?        ? ? 
1 1 1 -14 -12 2  o 186.9866 4.636431  7367.680       362.9427 7178.753       
492.4254 7592.382       537.0270 184.4013 6.360593 189.5719 6.747504 -5.170639 
9.272861 
1 1 1 -14 -12 3  o 35.35190 4.276130  290.9740       57.31485 200.5338       
93.34122 345.7120       72.61678 30.17977 7.411044 40.52402 4.268207 -10.34426 
8.552260 
1 1 1 -14 -12 4  o 77.20949 2.499338  1268.699       79.86077 1035.788       
113.9852 1493.259       111.9234 70.15157 3.870190 84.26742 3.163604 -14.11585 
4.998676 
1 1 1 -14 -12 5  o 100.3200 2.447805  2118.356       100.0104 2114.787       
162.4436 2120.534       126.9152 100.2229 3.860618 100.4171 3.010419 
-0.1941986     4.895609 
1 1 1 -14 -12 6  o 116.2114 2.860180  2873.831       132.5084 2752.715       
223.5604 2939.425       164.5230 114.2352 4.661396 118.1875 3.315705 -3.952339 
5.720360 
1 1 1 -14 -12 7  o 33.30685 4.099377  236.3032       55.54528 292.9692       
82.83944 190.0162       74.86957 37.22768 5.300199 29.38603 6.255195 7.841658 
8.198754 
1 1 1 -14 -12 8  o 63.52315 2.496413  854.3221       65.89165 816.3618       
99.36460 884.1168       88.03109 62.24005 3.802619 64.80624 3.235492 -2.566193 
4.992826 
1 1 1 -14 -12 9  o 137.0266 3.449456  3877.000       160.7698 4122.891       
358.2964 3815.013       179.8965 139.4298 6.120795 134.6235 3.182900 4.806351 
6.898911 
1 1 1 -14 -12 10 o 72.62309 2.943814  1135.750       83.98328 1043.649       
144.2260 1183.001       103.3041 70.28460 4.887700 74.96159 3.282461 -4.676994 
5.887628 
1 1 1 -14 -12 11 o 156.5949 3.619783  5272.864       226.7896 4881.163       
375.8814 5497.080       284.3850 151.7592 5.899524 161.4306 4.196064 -9.671371 
7.239567 
1 1 1 -14 -12 12 o 41.78387 4.815323  374.5516       78.73799 387.3387       
132.9071 367.6367       97.73555 41.91642 7.842888 41.65133 5.589137 0.2650948 
9.630647 
1 1 1 -14 -12 13 o 152.0017 5.348047  4853.441       323.6410 5262.741       
563.4619 4651.925       395.3644 156.2357 8.590241 147.7678 6.372926 8.467880 
10.69609 
1 1 1 -14 -12 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -12 15 o 71.79559 3.689104  1106.854       104.4208 1071.282       
180.4336 1124.767       128.0412 70.73591 6.075732 72.85527 4.186100 -2.119362 
7.378208 
1 1 1 -14 -12 16 o 117.4120 4.231153  2902.562       182.0493 3077.948       
363.6155 2843.892       210.3056 119.1136 7.271132 115.7104 4.329117 3.403221 
8.462305 
1 1 1 -14 -12 17 o 32.39393 5.480348  256.1858       75.87732 140.9715       
127.9157 318.7343       94.24953 26.31699 9.278217 38.47087 5.835368 -12.15388 
10.96070 
1 1 1 -14 -12 18 o 26.77497 5.307570  159.0876       64.10559 104.4808       
87.92178 221.0667       93.66887 22.45050 7.713464 31.09945 7.292713 -8.648952 
10.61514 
1 1 1 -14 -12 19 o 64.03110 2.981377  875.6481       79.87758 981.9078       
116.2169 780.5055       109.9697 67.74081 4.086392 60.32138 4.342330 7.419422 
5.962754 
1 1 1 -14 -12 20 o 67.92737 3.199951  994.3380       91.04118 1024.505       
134.1877 968.6079       123.9269 68.83002 4.643610 67.02472 4.404046 1.805298 
6.399901 
1 1 1 -14 -12 21 o 20.39941 5.478566  40.38848       73.21365 -60.04737      
99.98173 156.5118       107.5068 14.93017 6.875250 25.86866 8.531686 -10.93850 
10.95713 
1 1 1 -14 -12 22 o 55.71310 3.868029  695.7375       89.54321 753.6490       
122.1366 628.4368       131.6661 58.51095 4.971985 52.91524 5.926717 5.595707 
7.736059 
1 1 1 -14 -12 23 o 35.63041 5.963988  316.6664       89.17583 232.2490       
121.5194 415.1773       131.2718 30.07365 8.960675 41.18716 7.872922 -11.11351 
11.92798 
1 1 1 -14 -12 24 o 33.50101 6.019742  290.7649       84.86094 291.5382       
119.1028 289.9675       120.9413 33.59391 8.446827 33.40811 8.579061 0.1857986 
12.03948 
1 1 1 -14 -12 25 o 20.68989 6.168407  72.76087       91.67854 75.52695       
128.5634 69.89899       130.7708 20.76271 8.716961 20.61706 8.729924 0.1456566 
12.33681 
1 1 1 -14 -12 26 o 31.36238 6.230684  292.3746       88.56461 349.4958       
119.2252 222.0493       132.2896 35.72051 8.130234 27.00424 9.443782 8.716274 
12.46137 
1 1 1 -14 -11 1  o 195.6759 5.017038  8089.698       411.8436 7887.787       
589.1317 8282.683       575.9611 193.2597 7.260928 198.0922 6.925432 -4.832489 
10.03408 
1 1 1 -14 -11 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -11 3  o 42.74406 3.291345  390.8985       57.80088 349.5286       
88.63941 421.5039       76.24023 40.72923 5.183722 44.75890 4.057195 -4.029663 
6.582690 
1 1 1 -14 -11 4  o 89.57173 2.701890  1694.741       100.6390 1635.913       
151.7520 1740.926       134.4615 88.16328 4.099847 90.98019 3.520239 -2.816917 
5.403779 
1 1 1 -14 -11 5  o 63.20611 2.633508  808.5566       67.21635 956.7452       
115.2483 732.1633       82.74751 67.41222 4.072085 58.99999 3.340597 8.412231 
5.267017 
1 1 1 -14 -11 6  f 90.29834 2.670772  1696.483       92.39357 1765.440       
171.5588 1668.312       109.6541 91.52470 4.464736 89.07199 2.932274 2.452705 
5.341545 
1 1 1 -14 -11 7  o 65.04990 2.824281  864.7770       75.06183 1005.755       
124.4426 784.1502       94.10940 69.07429 4.291151 61.02552 3.673183 8.048771 
5.648561 
1 1 1 -14 -11 8  o 123.6171 3.128720  3253.811       142.3575 3160.598       
277.1481 3287.218       165.9179 122.2541 5.399701 124.9801 3.162085 -2.726021 
6.257440 
1 1 1 -14 -11 9  o 68.39426 2.745951  1022.873       73.95096 871.2570       
123.5118 1107.598       92.32947 64.24085 4.579502 72.54768 3.031363 -8.306824 
5.491903 
1 1 1 -14 -11 10 o 27.17427 5.698375  127.4043       73.31393 270.6701       
122.4886 47.42894       91.51713 34.88338 8.442513 19.46516 7.655710 15.41822 
11.39675 
1 1 1 -14 -11 11 o 114.1734 4.071285  2494.133       149.8426 3195.883       
373.5764 2359.586       163.5778 122.5187 7.262698 105.8280 3.681668 16.69070 
8.142570 
1 1 1 -14 -11 12 o 107.6301 5.056179  2449.232       228.4731 2449.232       
228.4731 0.000000       0.000000 107.6301 5.056179 ?        ?        ? ? 
1 1 1 -14 -11 13 o 115.6570 5.733517  2837.212       278.4017 0.000000       
0.000000 2837.212       278.4017 ?        ?        115.6570 5.733517 ? ? 
1 1 1 -14 -11 14 o 60.67484 3.486430  753.5637       86.48860 896.6940       
143.4096 671.7470       108.4259 65.01016 5.254340 56.33952 4.583961 8.670643 
6.972861 
1 1 1 -14 -11 15 o 55.59771 3.926699  645.6391       90.09450 726.7064       
144.1128 593.6274       115.4330 58.35771 5.882005 52.83770 5.203640 5.520012 
7.853397 
1 1 1 -14 -11 16 o 79.12341 3.441832  1343.982       104.8009 1300.609       
189.3181 1363.146       125.8413 77.97923 5.782749 80.26758 3.734255 -2.288345 
6.883665 
1 1 1 -14 -11 17 o 33.98241 4.849286  261.6245       68.43406 133.8371       
95.50294 396.4853       98.11049 24.92898 8.035951 43.03584 5.430080 -18.10685 
9.698571 
1 1 1 -14 -11 18 o 136.5452 3.531747  4004.212       201.8461 3810.225       
292.2672 4181.108       279.0951 133.2464 5.224512 139.8440 4.753675 -6.597580 
7.063494 
1 1 1 -14 -11 19 o 43.01806 3.983501  408.2966       70.38362 324.5612       
101.9066 484.6739       97.32628 38.55492 6.295690 47.48120 4.882356 -8.926277 
7.967001 
1 1 1 -14 -11 20 o 62.46296 3.384650  846.8199       87.95846 802.3572       
131.3625 882.9559       118.4251 60.83530 5.143241 64.09061 4.401193 -3.255310 
6.769300 
1 1 1 -14 -11 21 f 36.24454 4.967880  315.7630       72.43989 207.1322       
107.4294 406.3390       98.09648 29.43194 8.322929 43.05715 5.426618 -13.62521 
9.935760 
1 1 1 -14 -11 22 f 71.66850 3.220182  1116.556       96.60812 1005.150       
134.1443 1236.599       139.2477 67.87157 4.707662 75.46542 4.395021 -7.593842 
6.440364 
1 1 1 -14 -11 23 o 33.80120 5.947449  279.3999       85.46941 201.5453       
115.0247 375.3773       127.7125 28.39257 8.770934 39.20984 8.034882 -10.81727 
11.89490 
1 1 1 -14 -11 24 o 32.48865 6.076451  267.2015       87.35136 177.1968       
119.4110 370.8048       128.1147 26.49373 8.991645 38.48357 8.175779 -11.98984 
12.15290 
1 1 1 -14 -11 25 o 38.09060 6.214147  383.4939       97.50237 408.8566       
135.6558 356.3894       140.2366 39.80816 8.380437 36.37304 9.177731 3.435123 
12.42829 
1 1 1 -14 -11 26 o 59.60989 4.379617  848.8904       109.2272 760.6027       
149.7862 949.1562       159.6240 56.11288 6.358145 63.10690 6.024796 -6.994019 
8.759233 
1 1 1 -14 -10 1  o 250.1933 2.876604  13157.10       301.2612 13088.89       
410.0321 13237.10       444.0996 249.5051 3.914348 250.8816 4.216311 -1.376495 
5.753208 
1 1 1 -14 -10 2  o 76.52490 2.953240  1208.489       91.03596 1312.729       
154.7541 1153.328       112.5749 78.98195 4.666974 74.06786 3.620201 4.914085 
5.906479 
1 1 1 -14 -10 3  o 149.8254 4.037354  4721.754       253.9577 0.000000       
0.000000 4721.754       253.9577 ?        ?        149.8254 4.037354 ? ? 
1 1 1 -14 -10 4  o 128.3206 4.880478  3468.013       262.9284 3468.013       
262.9284 0.000000       0.000000 128.3206 4.880478 ?        ?        ? ? 
1 1 1 -14 -10 5  o 104.4212 2.623975  2305.889       111.8466 2241.250       
179.3339 2347.037       143.0847 103.1898 4.139490 105.6527 3.225771 -2.462952 
5.247950 
1 1 1 -14 -10 6  o 103.4313 2.889375  2293.731       117.1908 2133.978       
202.7043 2373.935       143.6267 100.6181 4.798527 106.2446 3.219952 -5.626465 
5.778750 
1 1 1 -14 -10 7  o 193.1475 4.372503  7951.966       332.7356 7716.790       
576.5998 8069.381       407.4156 190.7235 7.200977 195.5714 4.961960 -4.847977 
8.745006 
1 1 1 -14 -10 8  o 135.7942 5.115527  3926.954       240.0782 3901.760       
514.1880 3933.978       271.4876 135.0481 9.068898 136.5403 4.735983 -1.492203 
10.23105 
1 1 1 -14 -10 9  o 105.4574 3.939960  2389.103       161.3220 2257.073       
285.2374 2451.197       195.6130 103.1152 6.588780 107.7997 4.322165 -4.684525 
7.879920 
1 1 1 -14 -10 10 o 88.22922 4.035248  1657.197       148.6591 1494.561       
213.5197 1810.197       207.0988 83.95675 6.057638 92.50168 5.332724 -8.544930 
8.070497 
1 1 1 -14 -10 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -10 12 o 28.44580 9.403787  166.6284       130.6086 0.000000       
0.000000 166.6284       130.6086 ?        ?        28.44580 9.403787 ? ? 
1 1 1 -14 -10 13 o 53.59280 4.014493  617.7535       88.76305 545.2180       
133.5059 675.2197       118.8315 50.67551 6.275139 56.51009 5.008718 -5.834579 
8.028987 
1 1 1 -14 -10 14 o 222.2488 7.373795  10754.04       625.3065 10733.89       
1151.537 10762.46       744.6602 220.4307 12.44306 224.0670 7.915918 -3.636307 
14.74759 
1 1 1 -14 -10 15 f 75.82604 3.489627  1165.871       103.1884 1363.510       
190.1523 1083.376       122.8504 80.06144 5.657172 71.59064 4.087347 8.470795 
6.979255 
1 1 1 -14 -10 16 o 67.32108 3.023878  964.0844       85.00236 853.2786       
120.6219 1073.395       119.8052 63.42500 4.529880 71.21715 4.006935 -7.792145 
6.047755 
1 1 1 -14 -10 17 o 18.29797 5.378389  18.14589       68.44242 -3.249987      
93.70432 42.61435       100.2070 16.93665 7.287447 19.65930 7.912104 -2.722651 
10.75678 
1 1 1 -14 -10 18 f 28.01560 4.933097  162.5415       68.63946 28.27518       
95.96600 303.1741       98.21478 18.55163 7.640871 37.47957 6.241705 -18.92794 
9.866195 
1 1 1 -14 -10 19 o 35.02832 4.728000  272.3303       68.09136 461.7721       
102.0934 120.5435       91.38541 46.33661 5.248009 23.72004 7.866024 22.61657 
9.456000 
1 1 1 -14 -10 20 o 55.64965 3.230442  664.1566       75.36021 680.8012       
110.1614 649.5156       103.3183 56.27811 4.662414 55.02119 4.472687 1.256920 
6.460885 
1 1 1 -14 -10 21 o 23.91201 5.848956  122.6692       72.53860 89.89189       
104.3702 153.2963       100.8885 21.97532 8.291181 25.84870 8.252120 -3.873375 
11.69791 
1 1 1 -14 -10 22 o 49.02887 4.060079  533.9373       81.42555 687.9047       
117.8906 393.4845       112.5979 56.12362 5.003278 41.93412 6.395636 14.18949 
8.120157 
1 1 1 -14 -10 23 o 80.46936 3.150578  1415.311       106.0214 1532.995       
148.5968 1293.285       151.3139 84.04450 4.211349 76.89422 4.687122 7.150284 
6.301157 
1 1 1 -14 -10 24 o 44.63503 5.129211  474.1336       92.94917 409.7901       
132.3477 536.7604       130.5702 40.89076 7.994395 48.37929 6.428442 -7.488529 
10.25842 
1 1 1 -14 -10 25 o 68.40125 3.756914  1048.143       107.5400 950.0498       
145.9745 1164.570       159.0323 64.88216 5.358863 71.92034 5.266896 -7.038185 
7.513828 
1 1 1 -14 -10 26 o 59.87494 4.475110  849.2314       112.1702 838.1456       
163.9024 858.9978       153.8406 59.21874 6.592454 60.53114 6.053592 -1.312393 
8.950220 
1 1 1 -14 -10 27 o 19.39820 6.009325  51.05939       94.02204 25.42100       
139.6160 72.33582       127.1860 18.82431 8.458451 19.97209 8.538299 -1.147783 
12.01865 
1 1 1 -14 -9  1  o 87.83003 3.778858  1626.320       139.1116 1563.147       
199.9583 1685.575       193.6599 86.16608 5.527440 89.49398 5.154267 -3.327896 
7.557715 
1 1 1 -14 -9  2  o 146.1122 2.709546  4521.515       164.8084 4165.119       
243.3406 4823.528       224.0064 140.7364 4.118406 151.4879 3.522115 -10.75150 
5.419092 
1 1 1 -14 -9  3  o 215.8160 3.308146  10000.46       266.3880 9364.033       
503.0287 10248.50       314.0378 210.8200 5.683319 220.8121 3.387506 -9.992111 
6.616291 
1 1 1 -14 -9  4  o 175.1537 4.169717  6520.264       284.2475 6328.108       
504.2908 6609.742       344.1219 173.0998 6.939138 177.2075 4.625421 -4.107681 
8.339434 
1 1 1 -14 -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -9  6  o 207.8001 7.886139  8886.350       509.3060 9797.163       
1281.863 8715.615       554.9921 212.5299 14.36623 203.0704 6.509706 9.459503 
15.77228 
1 1 1 -14 -9  7  o 56.01327 4.177296  622.9252       85.42477 745.0387       
176.6834 585.6708       97.58932 59.30045 7.096740 52.72610 4.408570 6.574348 
8.354592 
1 1 1 -14 -9  8  o 105.6610 3.992821  2235.160       142.2892 2572.520       
326.6840 2156.176       158.0707 110.1215 7.066051 101.2004 3.720405 8.921089 
7.985643 
1 1 1 -14 -9  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -9  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -9  11 o 95.77830 4.092965  1942.968       137.8024 1944.199       
288.9592 1942.605       156.7787 95.55794 7.202626 95.99866 3.889940 
-0.4407196     8.185930 
1 1 1 -14 -9  12 o 29.21068 6.209889  188.4391       79.33200 145.8793       
148.0621 205.5775       93.95701 27.95434 9.969328 30.46703 7.406984 -2.512691 
12.41978 
1 1 1 -14 -9  13 o 125.0988 3.741599  3293.906       189.0701 3371.273       
315.0894 3250.376       236.3492 126.1141 5.951019 124.0835 4.536919 2.030556 
7.483198 
1 1 1 -14 -9  14 o 112.4986 3.592333  2665.582       166.2227 2736.218       
264.4430 2619.443       213.7232 113.6422 5.542599 111.3550 4.571545 2.287186 
7.184666 
1 1 1 -14 -9  15 o 83.69073 2.851054  1479.648       99.68018 1473.337       
148.3515 1484.842       134.5894 83.50273 4.231674 83.87872 3.821906 
-0.3759918     5.702108 
1 1 1 -14 -9  16 o 151.8263 3.583311  4842.964       224.3926 4629.349       
288.6492 5169.234       356.7334 147.7780 4.652450 155.8747 5.451163 -8.096725 
7.166622 
1 1 1 -14 -9  17 o 159.1078 3.883000  5408.778       258.6068 5499.629       
354.1700 5305.020       378.4907 160.6515 5.251073 157.5640 5.721624 3.087509 
7.766000 
1 1 1 -14 -9  18 o 93.08674 2.800569  1828.799       108.7677 1912.264       
164.6659 1764.196       144.8700 94.92062 4.132037 91.25286 3.781404 3.667755 
5.601138 
1 1 1 -14 -9  19 o 26.38069 5.457356  156.5618       68.29385 81.68271       
101.9814 217.4458       91.95856 21.78702 8.201735 30.97436 7.201563 -9.187342 
10.91471 
1 1 1 -14 -9  20 o 61.97120 3.103878  829.4236       79.77372 755.7950       
119.0582 889.4109       107.4646 59.34462 4.778583 64.59777 3.962498 -5.253151 
6.207757 
1 1 1 -14 -9  21 o 23.56037 5.818460  111.9497       70.74563 152.4625       
108.8958 82.36353       93.05918 26.04650 8.586624 21.07424 7.854159 4.972258 
11.63692 
1 1 1 -14 -9  22 o 23.12041 5.789506  113.9518       70.58736 95.87328       
105.8175 128.4460       94.74839 22.29263 8.361949 23.94820 8.009452 -1.655569 
11.57901 
1 1 1 -14 -9  23 o 26.11688 5.873999  162.2569       72.84509 142.1590       
107.1005 179.5581       99.37027 24.88029 8.515551 27.35346 8.093260 -2.473173 
11.74800 
1 1 1 -14 -9  24 o 39.22079 5.130921  377.3098       79.91061 279.3993       
120.9791 453.0927       106.4343 33.42682 8.578356 45.01475 5.631806 -11.58793 
10.26184 
1 1 1 -14 -9  25 o 24.86057 6.202999  129.8425       90.29532 246.3278       
127.2932 11.86802       128.1044 30.71061 9.175278 19.01052 8.350035 11.70009 
12.40600 
1 1 1 -14 -9  26 o 24.85199 6.292226  141.6188       91.76692 245.7278       
128.1811 32.15504       131.4362 30.11257 9.250198 19.59140 8.532424 10.52118 
12.58445 
1 1 1 -14 -9  27 o 50.60606 5.179733  646.9782       105.5179 765.4392       
149.9621 530.8184       148.4983 56.40012 6.333189 44.81200 8.198126 11.58812 
10.35947 
1 1 1 -14 -9  28 o 34.23988 6.816535  361.5702       104.7947 283.5397       
146.9690 442.2753       149.4666 29.72525 9.975389 38.75450 9.292590 -9.029249 
13.63307 
1 1 1 -14 -8  1  o 235.8639 6.167347  11749.30       610.2094 11968.29       
884.2346 11550.17       843.1624 237.9365 8.851715 233.7912 8.590217 4.145340 
12.33469 
1 1 1 -14 -8  2  o 338.3337 10.23962  24336.24       1356.292 25022.30       
2410.643 24018.48       1640.587 340.6013 16.85807 336.0662 11.62775 4.535065 
20.47923 
1 1 1 -14 -8  3  o 240.1582 5.379324  12195.96       520.6219 12126.61       
866.2157 12235.18       651.4075 239.4173 8.617705 240.8991 6.440781 -1.481873 
10.75865 
1 1 1 -14 -8  4  o 47.96348 3.952678  472.3554       75.45817 522.8703       
132.1791 447.9332       91.90619 49.79333 6.322847 46.13363 4.745131 3.659698 
7.905356 
1 1 1 -14 -8  5  o 30.07331 6.113251  206.5733       77.06085 126.0346       
157.4682 231.9351       88.36504 27.59521 10.23028 32.55140 6.695430 -4.956196 
12.22650 
1 1 1 -14 -8  6  o 144.8425 6.379858  4430.253       387.9590 0.000000       
0.000000 4430.253       387.9590 ?        ?        144.8425 6.379858 ? ? 
1 1 1 -14 -8  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -8  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -8  9  f 90.44648 5.877524  1730.407       223.1850 0.000000       
0.000000 1730.407       223.1850 ?        ?        90.44648 5.877524 ? ? 
1 1 1 -14 -8  10 o 48.31201 4.319541  500.8344       80.12696 478.6860       
144.9234 510.5858       96.16161 47.43909 7.276513 49.18493 4.656833 -1.745842 
8.639082 
1 1 1 -14 -8  11 o 211.7921 5.488188  9570.536       470.3984 9568.957       
775.4536 9571.456       591.6968 211.3204 8.740484 212.2638 6.639637 
-0.9434357     10.97638 
1 1 1 -14 -8  12 o 161.6878 5.964267  5613.626       330.4222 5558.641       
714.2667 5628.597       372.6993 160.2849 10.61424 163.0907 5.443151 -2.805786 
11.92853 
1 1 1 -14 -8  13 o 104.5830 3.798940  2272.356       155.7807 2429.901       
279.0053 2200.995       187.7757 107.0337 6.208877 102.1323 4.379226 4.901367 
7.597880 
1 1 1 -14 -8  14 o 104.7895 2.910169  2306.169       127.6491 2193.613       
172.6002 2442.059       189.6479 101.9896 4.030941 107.5894 4.198554 -5.599762 
5.820338 
1 1 1 -14 -8  15 o 81.29379 2.946044  1390.147       99.94699 1439.174       
150.8696 1351.803       133.4252 82.54555 4.353406 80.04204 3.970461 2.503510 
5.892088 
1 1 1 -14 -8  16 o 60.53733 3.209722  769.2730       81.18752 842.6036       
122.3483 711.5778       108.5238 63.08480 4.619492 57.98986 4.457529 5.094940 
6.419444 
1 1 1 -14 -8  17 o 117.9555 2.923573  2979.277       142.2090 2741.108       
217.5813 3156.890       187.8962 113.6855 4.558662 122.2254 3.661655 -8.539932 
5.847147 
1 1 1 -14 -8  18 o 21.05123 5.833169  60.01371       76.42026 -8.680758      
129.7115 96.53429       94.57722 19.66221 8.518332 22.44025 7.971287 -2.778036 
11.66634 
1 1 1 -14 -8  19 o 168.1644 4.067584  6059.416       283.8319 6178.980       
437.5868 5972.577       372.9214 169.3136 6.155927 167.0153 5.318414 2.298340 
8.135168 
1 1 1 -14 -8  20 o 47.48853 3.896017  481.3699       77.30630 545.5493       
115.7893 429.7539       103.8395 50.32412 5.480413 44.65293 5.539030 5.671196 
7.792034 
1 1 1 -14 -8  21 o 48.59095 3.876802  512.4368       78.68793 504.6503       
116.7225 518.9235       106.5368 48.16918 5.771734 49.01272 5.177401 
-0.8435364     7.753605 
1 1 1 -14 -8  22 o 125.7603 3.534768  3445.335       185.3296 3266.357       
274.1540 3595.956       251.5001 122.4616 5.332314 129.0590 4.641634 -6.597427 
7.069536 
1 1 1 -14 -8  23 o 41.18839 4.591935  386.5847       76.76463 363.9029       
114.5175 405.0934       103.4477 39.56546 7.156650 42.81131 5.755505 -3.245853 
9.183870 
1 1 1 -14 -8  24 o 40.61124 4.880086  377.4986       80.70482 453.5897       
120.5121 315.6249       108.6718 44.77387 6.411017 36.44860 7.359336 8.325264 
9.760173 
1 1 1 -14 -8  25 o 18.98020 5.391655  -5.997571      76.42924 147.3497       
113.4798 -133.3052      103.3970 24.86477 8.741760 13.09563 6.313588 11.76914 
10.78331 
1 1 1 -14 -8  26 o 42.60179 5.645711  452.0833       97.24371 445.3015       
136.8560 458.9991       138.2006 42.25467 8.005199 42.94891 7.963229 
-0.6942406     11.29142 
1 1 1 -14 -8  27 o 66.88852 4.090508  1036.840       114.7582 982.5623       
158.5389 1096.581       166.3262 65.02847 5.807022 68.74857 5.762596 -3.720100 
8.181015 
1 1 1 -14 -8  28 f 31.57811 6.280744  298.7101       98.78748 138.7135       
143.9340 441.1992       135.8310 23.00562 9.396603 40.15061 8.336357 -17.14499 
12.56149 
1 1 1 -14 -7  1  o 81.56946 5.535594  1400.383       189.5705 0.000000       
0.000000 1400.383       189.5705 ?        ?        81.56946 5.535594 ? ? 
1 1 1 -14 -7  2  o 95.65631 4.014911  1926.293       160.8474 1924.481       
219.9061 1928.379       235.8779 95.61764 5.477980 95.69499 5.871096 
-0.7735443E-01 8.029821 
1 1 1 -14 -7  3  o 243.0301 7.406197  12529.41       713.6437 12541.25       
1230.779 12523.41       875.9191 242.6880 12.07961 243.3723 8.572627 
-0.6843109     14.81239 
1 1 1 -14 -7  4  f 119.6308 5.308246  3013.397       266.6080 0.000000       
0.000000 3013.397       266.6080 ?        ?        119.6308 5.308246 ? ? 
1 1 1 -14 -7  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -7  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -7  7  o 140.4038 7.753097  4176.536       457.0177 0.000000       
0.000000 4176.536       457.0177 ?        ?        140.4038 7.753097 ? ? 
1 1 1 -14 -7  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -7  9  o 68.90267 3.886261  1001.467       102.4983 1005.948       
188.8811 999.5970       122.0287 68.92474 6.527315 68.88060 4.219746 
0.4414368E-01  7.772521 
1 1 1 -14 -7  10 o 143.9365 5.386724  4324.015       251.0367 4543.028       
594.1296 4276.417       276.9755 145.5020 9.725982 142.3710 4.633840 3.131012 
10.77345 
1 1 1 -14 -7  11 o 123.2409 3.688116  3141.522       179.5414 3415.095       
318.1357 3013.669       217.4856 126.9574 5.968643 119.5243 4.334062 7.433022 
7.376231 
1 1 1 -14 -7  12 o 128.7387 4.203249  3528.872       211.7772 3468.137       
372.8319 3557.803       257.3195 127.6884 6.954768 129.7889 4.722330 -2.100471 
8.406497 
1 1 1 -14 -7  13 o 130.6155 3.210271  3602.570       175.1944 3586.808       
260.5405 3615.579       236.6968 130.3184 4.762012 130.9125 4.306578 
-0.5940857     6.420542 
1 1 1 -14 -7  14 o 213.6245 4.856232  9722.808       431.4834 9555.245       
653.1739 9852.546       574.7422 211.7918 7.345829 215.4571 6.353797 -3.665298 
9.712463 
1 1 1 -14 -7  15 o 124.2344 3.122244  3259.160       162.8316 3213.214       
230.7514 3304.733       229.8090 123.3556 4.455603 125.1132 4.375070 -1.757599 
6.244488 
1 1 1 -14 -7  16 o 115.3009 3.052734  2811.697       147.5857 2761.236       
213.0468 2858.255       204.6421 114.2832 4.440314 116.3187 4.190506 -2.035500 
6.105468 
1 1 1 -14 -7  17 o 121.2147 3.052112  3118.375       153.1140 3059.306       
236.1049 3161.247       201.1443 120.1329 4.681277 122.2966 3.917549 -2.163719 
6.104224 
1 1 1 -14 -7  18 o 88.73587 3.122101  1696.645       114.2744 1486.939       
171.4895 1864.135       153.2595 83.62193 4.884706 93.84981 3.889692 -10.22788 
6.244201 
1 1 1 -14 -7  19 o 105.0376 2.816563  2345.878       123.8278 2235.034       
179.4695 2446.590       171.0702 102.6133 4.165891 107.4619 3.791762 -4.848579 
5.633126 
1 1 1 -14 -7  20 o 83.17078 2.904667  1471.753       101.3310 1393.932       
142.8236 1550.630       143.7886 80.93067 4.203470 85.41089 4.009889 -4.480217 
5.809335 
1 1 1 -14 -7  21 o 40.47049 4.324688  353.1134       72.70471 378.3457       
112.6659 335.1080       95.17338 41.61858 6.448017 39.32240 5.764963 2.296177 
8.649377 
1 1 1 -14 -7  22 o 31.31998 5.514307  225.6996       74.02589 309.8812       
108.6191 152.6891       101.1557 36.71589 7.305782 25.92408 8.261711 10.79181 
11.02861 
1 1 1 -14 -7  23 o 37.16353 4.928695  317.0342       74.85046 267.3121       
106.1127 366.2755       105.5983 33.67878 7.673289 40.64827 6.187793 -6.969494 
9.857390 
1 1 1 -14 -7  24 o 26.53682 5.987499  167.8025       75.06518 172.7335       
108.6052 163.2921       103.8695 26.86232 8.560499 26.21132 8.373674 0.6509933 
11.97500 
1 1 1 -14 -7  25 o 22.03616 5.446920  82.50111       76.31753 -75.14925      
117.6692 196.9677       100.2662 15.77076 7.336895 28.30155 8.052685 -12.53079 
10.89384 
1 1 1 -14 -7  26 o 50.13895 4.150720  571.1005       87.28117 607.7932       
125.4022 536.6240       121.5561 51.76442 5.770251 48.51348 5.968091 3.250938 
8.301440 
1 1 1 -14 -7  27 o 86.06016 3.952856  1693.729       142.7564 1696.613       
204.9491 1691.010       198.9601 86.02355 5.674788 86.09676 5.504277 
-0.7321167E-01 7.905712 
1 1 1 -14 -7  28 o 48.88512 4.801746  588.1437       98.22269 612.4061       
136.0887 561.7612       141.9098 50.29234 6.445275 47.47791 7.119373 2.814426 
9.603492 
1 1 1 -14 -7  29 o 27.30468 6.936531  235.5710       101.6191 253.3302       
143.4282 217.6709       143.9958 28.22635 9.836928 26.38301 9.782467 1.843334 
13.87306 
1 1 1 -14 -6  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -6  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -6  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -6  4  o 142.6464 6.057247  4287.437       362.7564 0.000000       
0.000000 4287.437       362.7564 ?        ?        142.6464 6.057247 ? ? 
1 1 1 -14 -6  5  o 138.9874 4.119061  4057.541       239.8742 4274.228       
353.1595 3871.954       326.8347 142.4138 5.906631 135.5610 5.742677 6.852768 
8.238121 
1 1 1 -14 -6  6  o 101.6043 3.423383  2061.156       133.2822 2449.199       
254.5060 1914.519       156.4512 107.8003 5.623404 95.40834 3.905833 12.39194 
6.846766 
1 1 1 -14 -6  7  o 137.3241 3.984304  4034.546       184.0314 3879.684       
406.1987 4074.544       206.4332 135.4525 7.142869 139.1957 3.532440 -3.743240 
7.968608 
1 1 1 -14 -6  8  o 100.9225 4.277638  1962.945       106.3618 2394.093       
360.9344 1921.944       111.3043 106.2204 8.093597 95.62473 2.772445 10.59563 
8.555277 
1 1 1 -14 -6  9  o 62.39315 4.698633  820.6241       123.0800 0.000000       
0.000000 820.6241       123.0800 ?        ?        62.39315 4.698633 ? ? 
1 1 1 -14 -6  10 o 203.4969 11.21478  8933.106       958.1364 8933.106       
958.1364 0.000000       0.000000 203.4969 11.21478 ?        ?        ? ? 
1 1 1 -14 -6  11 o 120.6990 4.030714  3033.363       187.6425 3208.716       
345.4597 2959.977       223.4839 122.9498 6.692535 118.4481 4.494062 4.501694 
8.061428 
1 1 1 -14 -6  12 o 225.2365 7.429358  10316.33       533.9347 12017.50       
1314.487 9980.188       584.3094 233.6380 13.40090 216.8349 6.418519 16.80313 
14.85872 
1 1 1 -14 -6  13 o 166.9218 3.543073  5897.617       246.6280 5811.335       
369.3804 5967.021       331.2897 165.7491 5.308156 168.0944 4.694354 -2.345245 
7.086147 
1 1 1 -14 -6  14 o 109.5671 3.242271  2532.870       149.0045 2567.264       
216.0603 2501.675       205.7649 110.2648 4.667228 108.8694 4.501806 1.395477 
6.484541 
1 1 1 -14 -6  15 o 107.7663 3.145117  2460.597       141.7682 2284.934       
204.2070 2624.030       196.9697 104.0081 4.676541 111.5246 4.206782 -7.516510 
6.290235 
1 1 1 -14 -6  16 o 17.99259 5.312896  12.59154       66.07579 31.12880       
103.5674 -0.1334949     85.80844 19.50746 7.969780 16.47771 7.027805 3.029749 
10.62579 
1 1 1 -14 -6  17 o 111.4896 3.145314  2581.044       144.3000 2872.109       
232.7263 2399.255       183.9227 116.4356 4.760811 106.5436 4.111773 9.891960 
6.290627 
1 1 1 -14 -6  18 o 122.6295 3.173266  3188.381       155.4220 3189.280       
264.0078 3187.903       192.2708 122.4531 5.135327 122.8059 3.729193 
-0.3528595     6.346532 
1 1 1 -14 -6  19 o 48.17160 3.843044  496.0020       77.58900 460.9358       
109.3029 531.6183       110.1569 46.42740 5.607617 49.91580 5.256478 -3.488396 
7.686087 
1 1 1 -14 -6  20 o 127.8056 3.283527  3467.623       175.7693 3280.972       
238.7477 3688.516       259.7259 124.0910 4.582685 131.5203 4.703742 -7.429344 
6.567054 
1 1 1 -14 -6  21 o 85.47116 2.793062  1555.423       100.0661 1540.705       
145.2734 1568.711       138.0338 85.05081 4.068448 85.89151 3.827861 
-0.8406982     5.586124 
1 1 1 -14 -6  22 o 69.54045 3.051900  1032.877       88.86144 1075.950       
131.5256 996.7047       120.5310 70.83545 4.422632 68.24546 4.206746 2.589989 
6.103800 
1 1 1 -14 -6  23 o 23.61770 5.773743  116.5050       71.05158 159.6973       
102.8727 77.10669       98.25076 26.30463 8.326324 20.93076 8.001046 5.373875 
11.54749 
1 1 1 -14 -6  24 o 106.9634 3.107460  2483.959       138.2835 2418.050       
208.3407 2535.860       184.8793 105.4537 4.705800 108.4731 4.059639 -3.019386 
6.214919 
1 1 1 -14 -6  25 o 25.27847 5.998900  143.8487       80.25984 219.1980       
112.4559 65.62184       114.5831 29.77453 8.546320 20.78242 8.420668 8.992111 
11.99780 
1 1 1 -14 -6  26 o 27.20743 6.121482  182.4248       78.37477 214.0933       
118.7264 157.9663       104.3394 28.98949 8.901968 25.42537 8.405066 3.564112 
12.24296 
1 1 1 -14 -6  27 o 64.08393 3.750858  925.9124       99.72070 756.7888       
138.0780 1110.294       144.1721 57.61490 5.708350 70.55296 4.867288 -12.93806 
7.501717 
1 1 1 -14 -6  28 o 23.81968 6.588809  139.2979       96.06789 117.9810       
135.4341 160.8854       136.2910 22.81508 9.191619 24.82428 9.442656 -2.009195 
13.17762 
1 1 1 -14 -6  29 o 60.11179 4.587676  892.9560       114.8223 910.2534       
154.5976 871.6750       171.4774 61.41653 5.995683 58.80704 6.945421 2.609482 
9.175352 
1 1 1 -14 -5  1  o 238.4628 8.019496  12061.66       802.7493 12026.30       
1144.361 12095.91       1126.371 238.0955 11.44808 238.8301 11.23346 
-0.7345734     16.03899 
1 1 1 -14 -5  2  o 90.76500 4.241573  1732.605       161.3125 1703.748       
220.5103 1765.826       236.5990 89.96023 5.838476 91.56976 6.154345 -1.609535 
8.483146 
1 1 1 -14 -5  3  o 140.6555 3.747353  4185.113       214.8711 4071.517       
345.7996 4256.558       274.2404 139.0483 5.923520 142.2627 4.591571 -3.214447 
7.494705 
1 1 1 -14 -5  4  o 123.6876 4.014175  3268.221       193.8852 3092.421       
339.5983 3353.234       236.1567 121.1094 6.678957 126.2658 4.454876 -5.156372 
8.028350 
1 1 1 -14 -5  5  o 152.0787 4.148895  4789.222       242.3510 5080.167       
449.9614 4670.330       287.6367 155.1679 6.907079 148.9894 4.598433 6.178482 
8.297791 
1 1 1 -14 -5  6  o 209.7984 5.354290  9252.892       431.2457 9427.636       
793.4185 9179.622       513.7605 210.9100 8.960374 208.6867 5.863906 2.223328 
10.70858 
1 1 1 -14 -5  7  o 55.94951 3.794941  682.7518       78.56316 610.1325       
148.3539 711.0543       92.61588 53.75515 6.573547 58.14386 3.794047 -4.388706 
7.589882 
1 1 1 -14 -5  8  o 185.8147 5.119376  7002.164       240.2445 7697.804       
773.1698 6927.821       252.7561 190.1179 9.686634 181.5114 3.316797 8.606567 
10.23875 
1 1 1 -14 -5  9  o 160.2957 3.611575  5229.529       158.8257 5674.021       
464.1365 5170.577       169.0304 163.7399 6.751688 156.8515 2.566829 6.888306 
7.223151 
1 1 1 -14 -5  10 o 46.39071 5.789999  544.5073       94.90751 306.5400       
171.1755 650.1304       114.0414 37.26722 10.49545 55.51420 4.893047 -18.24699 
11.58000 
1 1 1 -14 -5  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 -5  12 o 80.99039 2.906938  1380.204       98.69273 1333.771       
135.1230 1433.301       144.4928 79.53893 4.046417 82.44184 4.174646 -2.902908 
5.813877 
1 1 1 -14 -5  13 f 149.6044 3.233268  4702.730       200.4306 4862.572       
311.7692 4590.131       261.6704 151.6982 4.895239 147.5106 4.225250 4.187592 
6.466537 
1 1 1 -14 -5  14 o 160.8922 3.951337  5476.227       266.8203 5312.586       
372.1102 5649.404       382.7984 158.4182 5.594841 163.3661 5.581219 -4.947998 
7.902674 
1 1 1 -14 -5  15 o 46.98869 3.731622  464.9471       72.99277 482.7007       
111.5541 451.6551       96.52417 47.74952 5.564646 46.22784 4.973401 1.521679 
7.463243 
1 1 1 -14 -5  16 f 130.8286 3.273955  3599.629       179.0257 3787.116       
268.5804 3449.723       240.1583 133.8522 4.779363 127.8049 4.475803 6.047211 
6.547910 
1 1 1 -14 -5  17 o 72.94353 3.186732  1119.843       96.84147 1168.439       
147.6155 1083.126       128.3132 74.29789 4.732346 71.58916 4.269186 2.708725 
6.373465 
1 1 1 -14 -5  18 f 69.18704 3.189064  1008.033       91.48061 1052.901       
142.2580 976.3961       119.4553 70.44756 4.809852 67.92653 4.188774 2.521034 
6.378127 
1 1 1 -14 -5  19 o 38.37996 5.026373  371.5615       79.88834 89.80796       
118.3439 607.4478       108.2836 23.31080 8.818854 53.44912 4.825508 -30.13832 
10.05275 
1 1 1 -14 -5  20 o 95.71761 2.919477  1916.214       114.9367 2084.317       
184.9668 1810.476       146.6965 99.00069 4.450169 92.43452 3.780129 6.566177 
5.838953 
1 1 1 -14 -5  21 o 120.5733 3.100923  3101.989       155.1249 3080.091       
237.7609 3118.219       204.6936 120.0577 4.717062 121.0889 4.026439 -1.031189 
6.201845 
1 1 1 -14 -5  22 o 154.8989 3.284153  5147.613       213.4590 5079.724       
305.6711 5212.232       298.2200 153.8387 4.732710 155.9590 4.554569 -2.120346 
6.568305 
1 1 1 -14 -5  23 o 46.36285 4.215952  471.0728       81.19886 561.9929       
117.3856 387.6537       112.4391 50.79814 5.504122 41.92757 6.387617 8.870571 
8.431904 
1 1 1 -14 -5  24 o 54.56765 3.916987  667.1286       87.63609 537.0972       
128.4022 780.5210       119.9059 49.17243 6.219737 59.96286 4.762984 -10.79044 
7.833973 
1 1 1 -14 -5  25 o 27.65328 6.339683  183.3145       84.83629 219.1286       
122.6960 150.5083       117.4304 29.78113 9.030485 25.52543 8.900373 4.255695 
12.67937 
1 1 1 -14 -5  26 o 103.2529 3.252930  2329.705       140.4549 2059.683       
193.0542 2633.365       204.7258 96.77078 4.751778 109.7349 4.443740 -12.96416 
6.505860 
1 1 1 -14 -5  27 o 25.74196 6.252276  163.3209       86.32640 88.10397       
128.8826 224.5248       116.2589 21.99610 8.923161 29.48783 8.760197 -7.491726 
12.50455 
1 1 1 -14 -5  28 o 28.85803 6.492790  226.7980       88.74744 212.0519       
131.6447 239.0827       120.1563 27.90372 9.441011 29.81235 8.915863 -1.908632 
12.98558 
1 1 1 -14 -5  29 o 52.27098 4.855517  665.7285       105.2920 602.2067       
136.7435 758.2396       165.0220 49.60643 6.565832 54.93554 7.155000 -5.329117 
9.711034 
1 1 1 -14 -4  1  o 204.1822 6.043311  8832.950       508.9167 8971.739       
663.5049 8634.623       793.1598 206.2530 7.662402 202.1113 9.347406 4.141708 
12.08662 
1 1 1 -14 -4  2  o 60.59740 4.604573  784.5038       114.6195 970.6801       
162.1660 598.6464       162.0270 67.90903 5.687919 53.28577 7.242647 14.62326 
9.209146 
1 1 1 -14 -4  3  o 57.69939 4.050958  745.6223       90.58819 568.7981       
150.2662 846.5745       113.5399 51.94484 6.890329 63.45395 4.261973 -11.50911 
8.101916 
1 1 1 -14 -4  4  o 60.57595 3.605999  729.5951       88.43781 938.8168       
151.6969 621.8730       108.8493 66.78227 5.410492 54.36964 4.768593 12.41264 
7.211997 
1 1 1 -14 -4  5  o 165.4065 4.999053  5643.330       312.2455 6070.708       
598.4531 5483.466       366.0146 169.4347 8.412958 161.3782 5.402248 8.056503 
9.998107 
1 1 1 -14 -4  6  o 29.06343 6.073071  180.0291       78.13407 188.3217       
123.5954 174.5088       100.8410 29.75415 9.071761 28.37270 8.076627 1.381449 
12.14614 
1 1 1 -14 -4  7  o 86.57060 3.066542  1557.511       98.07774 1618.298       
193.1563 1536.394       113.8458 87.64563 5.249279 85.49558 3.171717 2.150047 
6.133083 
1 1 1 -14 -4  8  o 113.4064 3.058741  2726.801       121.4233 2671.647       
255.1145 2742.954       138.0644 112.5726 5.397884 114.2403 2.878614 -1.667671 
6.117481 
1 1 1 -14 -4  9  o 155.6240 3.902766  4830.623       173.4450 5502.520       
489.1940 4734.016       185.4955 161.1865 7.228921 150.0615 2.944321 11.12497 
7.805532 
1 1 1 -14 -4  10 o 100.3316 2.851123  2173.741       94.44899 2032.774       
212.1643 2208.583       105.4770 98.15079 5.148724 102.5125 2.450767 -4.361679 
5.702247 
1 1 1 -14 -4  11 f 87.37022 3.296470  1666.220       89.57996 1527.345       
215.8968 1695.101       98.45491 84.94815 6.053595 89.79228 2.611677 -4.844131 
6.592941 
1 1 1 -14 -4  12 o 134.7865 4.306293  3831.689       243.6850 0.000000       
0.000000 3831.689       243.6850 ?        ?        134.7865 4.306293 ? ? 
1 1 1 -14 -4  13 o 181.0690 4.453959  6940.823       337.4877 6765.327       
456.8087 7151.728       500.7751 178.6178 6.091591 183.5201 6.499502 -4.902328 
8.907918 
1 1 1 -14 -4  14 o 67.26880 3.112891  957.7271       87.44900 924.0231       
129.1864 986.2330       118.8076 66.15272 4.651471 68.38489 4.138139 -2.232170 
6.225783 
1 1 1 -14 -4  15 f 251.4966 5.722318  13531.83       592.7264 13415.25       
930.6158 13611.40       768.8448 250.1468 8.861281 252.8463 7.242746 -2.699417 
11.44464 
1 1 1 -14 -4  16 o 141.0999 3.073595  4186.736       179.8416 4299.494       
278.5371 4106.123       235.5117 142.6674 4.650281 139.5323 4.020302 3.135147 
6.147190 
1 1 1 -14 -4  17 o 175.6449 4.106642  6550.875       302.8279 6507.542       
427.1972 6594.645       429.3376 175.0594 5.812513 176.2304 5.802820 -1.171036 
8.213284 
1 1 1 -14 -4  18 o 47.03028 4.309808  478.7708       83.33982 372.5154       
118.7146 582.0217       117.0242 41.71986 6.777701 52.34071 5.325460 -10.62085 
8.619616 
1 1 1 -14 -4  19 o 73.16912 3.113241  1131.485       94.84778 1163.548       
144.5270 1107.231       125.7041 74.03436 4.649827 72.30389 4.141036 1.730469 
6.226482 
1 1 1 -14 -4  20 o 71.50620 3.096764  1079.662       92.65572 1165.767       
138.1208 1009.209       124.9386 74.07116 4.441514 68.94124 4.316567 5.129921 
6.193529 
1 1 1 -14 -4  21 o 74.07272 3.165494  1173.919       97.91886 1108.452       
143.4948 1230.969       133.9534 72.06512 4.742771 76.08032 4.193749 -4.015205 
6.330987 
1 1 1 -14 -4  22 o 50.09607 3.957270  537.1707       81.66724 694.4803       
121.6125 407.9620       110.2165 56.83820 5.096345 43.35394 6.055346 13.48426 
7.914541 
1 1 1 -14 -4  23 o 25.27944 5.895922  135.1888       75.25454 197.0951       
109.3933 79.57188       103.6877 29.07207 8.456727 21.48681 8.217747 7.585251 
11.79184 
1 1 1 -14 -4  24 o 42.18495 5.117469  408.4113       87.21770 320.8494       
121.8116 500.5237       124.9367 36.82764 8.097786 47.54226 6.259379 -10.71463 
10.23494 
1 1 1 -14 -4  25 o 25.81877 6.059557  149.4646       81.73499 70.19423       
117.5951 223.5516       113.6854 21.34282 8.578797 30.29472 8.560208 -8.951897 
12.11911 
1 1 1 -14 -4  26 o 40.28874 5.047530  377.5548       82.71011 304.4201       
112.7459 462.7770       121.7070 35.44371 7.788188 45.13377 6.422956 -9.690063 
10.09506 
1 1 1 -14 -4  27 o 45.93794 4.801835  492.3231       92.13730 465.4495       
134.3138 516.2095       126.6291 44.47737 7.192876 47.39851 6.363412 -2.921135 
9.603670 
1 1 1 -14 -4  28 o 91.78033 3.345549  1876.889       128.7693 1874.903       
186.3651 1878.704       178.1285 91.60378 4.845875 91.95687 4.613922 
-0.3530884     6.691097 
1 1 1 -14 -4  29 o 23.72862 6.453190  136.3979       91.34959 198.6086       
138.0863 87.98524       121.8140 26.50916 9.610231 20.94807 8.614994 5.561092 
12.90638 
1 1 1 -14 -4  30 o 40.13667 5.775417  440.6227       94.07755 459.5931       
132.6945 421.4503       133.3998 41.31196 7.933701 38.96138 8.395128 2.350574 
11.55083 
1 1 1 -14 -3  1  o 258.5294 7.824957  14111.27       786.7733 14315.65       
1412.582 14019.35       947.3158 259.4153 12.96997 257.6435 8.757833 1.771851 
15.64991 
1 1 1 -14 -3  2  o 85.26324 4.110305  1516.101       146.4118 1731.439       
218.8555 1341.654       196.9827 90.69512 5.747707 79.83136 5.877269 10.86376 
8.220610 
1 1 1 -14 -3  3  o 253.6928 6.479988  13608.73       629.4440 13612.30       
1157.927 13607.24       749.9210 253.3347 10.88698 254.0509 7.030982 
-0.7161102     12.95998 
1 1 1 -14 -3  4  o 144.5254 3.607199  4451.738       213.0774 4131.366       
335.9174 4667.424       275.6232 140.0741 5.712100 148.9767 4.406751 -8.902634 
7.214398 
1 1 1 -14 -3  5  o 32.35354 5.880820  238.9575       80.90347 166.2465       
131.0473 283.7372       102.8416 28.64174 9.419568 36.06533 7.043287 -7.423592 
11.76164 
1 1 1 -14 -3  6  o 199.4914 4.496876  8319.497       346.8085 8577.958       
632.3145 8208.294       414.7598 201.5165 7.473835 197.4663 5.002934 4.050247 
8.993752 
1 1 1 -14 -3  7  o 189.8651 3.820351  7494.300       249.8656 7772.374       
544.3492 7420.070       281.2448 191.8710 6.757550 187.8593 3.565930 4.011703 
7.640703 
1 1 1 -14 -3  8  o 69.14612 3.152190  1038.325       79.22230 942.4386       
154.4514 1072.558       92.28720 66.86017 5.502314 71.43207 3.077296 -4.571899 
6.304380 
1 1 1 -14 -3  9  o 78.74582 3.160316  1348.690       82.58953 1236.278       
183.3069 1377.322       92.51144 76.53905 5.704489 80.95258 2.721985 -4.413528 
6.320632 
1 1 1 -14 -3  10 o 16.42688 4.999363  2.201054       52.24493 -3.062176      
114.2801 3.591723       58.74298 18.93456 8.094086 13.91919 5.870290 5.015364 
9.998727 
1 1 1 -14 -3  11 o 107.8269 2.329631  2388.796       96.59908 2589.498       
179.8889 2307.470       114.5100 110.8869 3.864072 104.7669 2.603395 6.119995 
4.659262 
1 1 1 -14 -3  12 o 114.7796 2.215508  2730.518       101.3576 2903.628       
175.5571 2643.963       124.1370 117.4269 3.561001 112.1323 2.636886 5.294518 
4.431015 
1 1 1 -14 -3  13 o 200.7531 4.419201  8580.270       366.2567 8372.243       
568.5691 8727.819       478.8421 198.4644 6.823729 203.0419 5.617302 -4.577484 
8.838402 
1 1 1 -14 -3  14 o 33.30419 11.00159  231.4258       178.7628 231.4258       
178.7628 0.000000       0.000000 33.30419 11.00159 ?        ?        ? ? 
1 1 1 -14 -3  15 f 34.23160 4.980005  259.5565       70.00786 205.0900       
102.9342 306.4357       95.49583 30.43901 7.963517 38.02419 5.981988 -7.585182 
9.960010 
1 1 1 -14 -3  16 o 68.85779 3.068429  993.2977       87.51231 1043.855       
136.7730 958.2531       113.8725 70.30503 4.633775 67.41054 4.023575 2.894493 
6.136858 
1 1 1 -14 -3  17 o 95.88959 3.006248  1907.434       119.3217 2139.653       
188.7107 1752.748       154.0183 100.6386 4.466352 91.14056 4.025146 9.498047 
6.012496 
1 1 1 -14 -3  18 o 46.37537 4.049150  453.3627       78.46807 500.4977       
118.1166 416.1275       104.9822 48.50652 5.800051 44.24423 5.651712 4.262287 
8.098299 
1 1 1 -14 -3  19 o 68.06958 3.179029  964.2723       89.38923 1080.815       
142.4326 888.5424       114.8158 71.36109 4.754107 64.77806 4.221774 6.583031 
6.358059 
1 1 1 -14 -3  20 o 156.3077 3.575027  5191.269       234.0973 5005.626       
318.7086 5408.773       344.9765 153.3283 4.950995 159.2871 5.158577 -5.958801 
7.150054 
1 1 1 -14 -3  21 o 79.92450 3.039944  1353.307       101.7485 1227.684       
139.6727 1495.354       148.5230 75.96763 4.379293 83.88137 4.217443 -7.913742 
6.079888 
1 1 1 -14 -3  22 o 41.68513 4.811618  385.5871       81.97460 360.0866       
118.3663 409.0908       113.6374 39.94563 7.331762 43.42463 6.233133 -3.479008 
9.623237 
1 1 1 -14 -3  23 o 32.18399 5.750296  243.2409       78.08823 210.2357       
114.4030 272.0321       106.8503 30.02896 8.620198 34.33902 7.612871 -4.310062 
11.50059 
1 1 1 -14 -3  24 o 25.05994 6.030641  138.9806       75.94743 141.0455       
104.4669 136.6659       110.6077 25.12339 8.410200 24.99649 8.645406 0.1269035 
12.06128 
1 1 1 -14 -3  25 o 84.41052 3.258651  1539.046       114.2959 1594.907       
175.8337 1498.173       150.4062 85.55423 4.895326 83.26682 4.302441 2.287415 
6.517302 
1 1 1 -14 -3  26 o 85.20876 3.324253  1587.549       118.8666 1648.582       
168.7921 1527.504       167.4219 86.88660 4.627221 83.53090 4.774041 3.355705 
6.648507 
1 1 1 -14 -3  27 o 36.11420 5.676488  321.4303       84.05835 279.1791       
117.0748 366.3862       120.7639 33.37398 8.364408 38.85442 7.676377 -5.480438 
11.35298 
1 1 1 -14 -3  28 o 31.23994 6.088556  255.0165       85.00681 320.6703       
118.6158 185.6923       121.8865 35.63167 8.109028 26.84821 9.084367 8.783461 
12.17711 
1 1 1 -14 -3  29 o 51.56085 4.619521  646.6915       96.22789 555.5192       
149.5657 711.0876       125.6985 47.39828 7.516064 55.72342 5.372957 -8.325130 
9.239041 
1 1 1 -14 -3  30 o 58.02826 4.454970  826.0875       107.3082 765.9131       
159.0511 876.3632       145.3819 55.34657 6.844899 60.70995 5.703893 -5.363380 
8.909941 
1 1 1 -14 -2  1  o 181.0077 5.690431  6897.893       431.1102 7105.120       
638.8931 6724.660       584.1428 183.4687 8.294442 178.5467 7.792705 4.922028 
11.38086 
1 1 1 -14 -2  2  o 191.6651 5.249953  7748.984       421.0286 7772.129       
572.8994 7721.803       620.8337 192.0132 7.106705 191.3170 7.729345 0.6961823 
10.49991 
1 1 1 -14 -2  3  f 145.1652 3.741752  4445.527       216.9102 4398.406       
367.8392 4470.648       268.5758 144.5182 6.062566 145.8121 4.387269 -1.293884 
7.483504 
1 1 1 -14 -2  4  f 175.8970 4.780221  6571.191       333.5928 6371.858       
570.2723 6674.883       411.3077 173.7274 7.818707 178.0666 5.501809 -4.339142 
9.560443 
1 1 1 -14 -2  5  o 150.7076 4.695250  4841.235       271.1373 4660.047       
493.4474 4919.601       324.5172 148.5250 7.913384 152.8903 5.055674 -4.365219 
9.390500 
1 1 1 -14 -2  6  o 87.54702 3.355714  1552.821       112.5327 1759.572       
213.0140 1472.782       132.5371 91.39843 5.551246 83.69561 3.771861 7.702820 
6.711429 
1 1 1 -14 -2  7  o 237.8487 5.056180  11704.22       425.7202 12412.54       
897.0962 11498.34       483.6484 242.0061 8.829453 233.6914 4.929559 8.314651 
10.11236 
1 1 1 -14 -2  8  o 173.6020 4.386445  6134.611       192.7642 6649.183       
617.2117 6078.995       202.9142 177.1264 8.299881 170.0776 2.841754 7.048859 
8.772890 
1 1 1 -14 -2  9  o 117.3233 3.333992  2685.690       112.4934 3203.432       
318.1630 2611.718       120.2614 123.1630 6.153052 111.4836 2.569428 11.67940 
6.667984 
1 1 1 -14 -2  10 o 114.9177 3.323644  2785.103       116.7621 2780.819       
293.9516 2785.906       127.2299 114.7067 6.103911 115.1288 2.632245 
-0.4221344     6.647288 
1 1 1 -14 -2  11 o 53.53624 2.814319  601.7302       60.53073 610.2899       
101.9411 597.0687       75.22838 53.80394 4.512906 53.26854 3.363814 0.5354004 
5.628638 
1 1 1 -14 -2  12 o 97.76237 2.095099  2049.685       82.19228 1870.251       
134.8436 2155.762       103.6790 94.25832 3.407466 101.2664 2.438634 -7.008102 
4.190198 
1 1 1 -14 -2  13 o 102.4398 2.240393  2217.763       94.00336 2166.800       
149.5472 2251.052       120.8674 101.4317 3.511767 103.4478 2.782972 -2.016129 
4.480785 
1 1 1 -14 -2  14 o 93.06784 3.063725  1825.326       114.9518 1835.861       
191.6564 1819.407       143.6602 93.21088 4.897538 92.92480 3.682357 0.2860870 
6.127449 
1 1 1 -14 -2  15 o 117.2916 4.115839  2901.079       202.6768 0.000000       
0.000000 2901.079       202.6768 ?        ?        117.2916 4.115839 ? ? 
1 1 1 -14 -2  16 o 233.6443 5.692624  11658.70       557.0812 11750.70       
817.6817 11579.00       761.0291 234.3694 8.310064 232.9192 7.782462 1.450226 
11.38525 
1 1 1 -14 -2  17 o 62.70018 3.268390  831.2964       85.86135 819.9100       
124.9983 841.4683       118.1440 62.27914 4.780601 63.12122 4.458177 
-0.8420830     6.536780 
1 1 1 -14 -2  18 o 34.28576 5.298331  261.6510       76.37215 174.7538       
108.9729 345.5328       107.0654 28.30155 8.496243 40.26996 6.332702 -11.96841 
10.59666 
1 1 1 -14 -2  19 o 55.30032 3.647934  647.4335       84.22672 672.2326       
126.8798 627.8953       112.6202 56.21461 5.376063 54.38602 4.932306 1.828590 
7.295869 
1 1 1 -14 -2  20 o 103.8734 3.082552  2295.902       131.2794 2255.444       
208.4565 2322.495       169.0040 102.9915 4.820976 104.7553 3.842747 -1.763809 
6.165105 
1 1 1 -14 -2  21 o 37.12638 5.144555  312.1312       77.50066 256.0195       
116.4551 356.7385       103.8327 33.52205 8.306403 40.73071 6.072022 -7.208660 
10.28911 
1 1 1 -14 -2  22 o 27.95211 5.850266  176.0747       73.68575 197.1869       
105.4042 155.8950       103.0504 29.39689 8.221952 26.50734 8.324779 2.889551 
11.70053 
1 1 1 -14 -2  23 o 60.46255 3.787549  789.4490       95.87794 714.9474       
134.0232 867.5436       137.2169 57.47721 5.553995 63.44788 5.151239 -5.970669 
7.575099 
1 1 1 -14 -2  24 o 31.20397 5.823645  228.9444       83.07322 116.8951       
118.3785 337.6670       116.6080 24.16777 8.884593 38.24016 7.531492 -14.07238 
11.64729 
1 1 1 -14 -2  25 o 25.54420 5.884806  144.2814       76.45271 74.76237       
108.2005 213.5952       108.0406 21.21566 8.330635 29.87274 8.314101 -8.657076 
11.76961 
1 1 1 -14 -2  26 o 72.59145 3.312067  1149.102       100.9188 1180.108       
144.2765 1119.398       141.2143 73.55692 4.671897 71.62598 4.696011 1.930939 
6.624133 
1 1 1 -14 -2  27 o 61.25995 3.729936  827.0323       95.19933 889.2948       
145.6404 780.5827       125.7939 63.11073 5.496669 59.40917 5.043443 3.701557 
7.459872 
1 1 1 -14 -2  28 o 41.12338 5.502003  413.7939       92.77599 456.0010       
130.7051 370.9348       131.7108 43.96551 7.081115 38.28126 8.422942 5.684246 
11.00401 
1 1 1 -14 -2  29 o 20.95490 6.068018  79.56760       85.02798 93.23349       
123.7727 67.35475       117.0077 21.65985 8.761847 20.24995 8.397226 1.409901 
12.13604 
1 1 1 -14 -2  30 o 24.62649 6.450258  170.0171       90.23428 130.4267       
142.1629 196.7284       116.7721 22.92281 9.346680 26.33018 8.891732 -3.407364 
12.90052 
1 1 1 -14 -1  1  o 216.7562 6.069113  9917.475       543.4010 9894.969       
707.5638 9949.836       848.4498 216.5727 7.781850 216.9397 9.315543 
-0.3669434     12.13823 
1 1 1 -14 -1  2  o 107.0018 3.764885  2454.723       159.1373 2270.805       
270.9314 2551.597       196.6315 103.8375 6.214787 110.1662 4.251338 -6.328735 
7.529771 
1 1 1 -14 -1  3  o 121.2025 3.566702  3105.581       176.1658 3027.644       
283.9368 3154.360       224.6286 119.9259 5.639360 122.4791 4.368418 -2.553192 
7.133404 
1 1 1 -14 -1  4  o 106.5433 3.594419  2450.568       151.9439 2189.334       
253.7641 2596.567       189.7098 101.9554 5.928445 111.1311 4.066072 -9.175705 
7.188839 
1 1 1 -14 -1  5  o 302.5786 8.441202  19569.54       1020.353 19257.68       
1724.320 19737.57       1265.746 300.0351 13.68885 305.1222 9.880841 -5.087036 
16.88240 
1 1 1 -14 -1  6  o 249.8463 5.552243  13273.95       547.7725 12952.42       
946.5615 13435.85       671.6663 247.2617 9.118282 252.4308 6.337708 -5.169113 
11.10449 
1 1 1 -14 -1  7  o 105.1477 3.502117  2233.549       127.9157 2497.830       
280.4468 2164.125       143.7383 108.8312 6.137878 101.4642 3.374276 7.366943 
7.004234 
1 1 1 -14 -1  8  o 50.78262 3.731464  507.3058       66.03198 609.5963       
146.4111 481.1867       73.98360 53.73246 6.490202 47.83278 3.684096 5.899689 
7.462927 
1 1 1 -14 -1  9  o 226.0146 4.705969  10617.36       306.6770 11048.82       
836.3231 10550.33       329.6395 228.0591 8.734694 223.9700 3.505665 4.089050 
9.411938 
1 1 1 -14 -1  10 o 30.37851 5.207192  146.3026       57.58397 339.0600       
128.9428 98.28222       64.35826 39.24829 8.101610 21.50873 6.543952 17.73956 
10.41438 
1 1 1 -14 -1  11 f 19.06414 4.766639  17.76554       50.94668 146.1454       
91.89753 -39.19878      61.21486 26.07744 7.796934 12.05085 5.485545 14.02659 
9.533278 
1 1 1 -14 -1  12 o 230.0592 3.383013  11069.48       275.1132 11358.53       
576.4114 10984.20       313.0740 231.6562 5.926655 228.4623 3.264026 3.193939 
6.766026 
1 1 1 -14 -1  13 o 120.2622 2.155211  3020.339       105.9155 3142.533       
172.2010 2945.981       134.3299 122.1727 3.357241 118.3517 2.703456 3.821037 
4.310423 
1 1 1 -14 -1  14 o 19.32634 4.891067  68.33472       49.82972 51.24297       
82.10415 78.30137       62.69691 18.97201 7.296570 19.68067 6.515383 
-0.7086601     9.782134 
1 1 1 -14 -1  15 o 189.9159 2.584809  7638.584       180.1783 7515.849       
353.5526 7681.645       209.4127 188.7128 4.462454 191.1191 2.609877 -2.406311 
5.169619 
1 1 1 -14 -1  16 o 181.2824 4.839746  7037.068       363.8411 6623.649       
549.8481 7359.089       485.2780 176.3079 7.428346 186.2569 6.205821 -9.949051 
9.679491 
1 1 1 -14 -1  17 o 90.70179 4.521140  1737.448       172.1642 1737.448       
172.1642 0.000000       0.000000 90.70179 4.521140 ?        ?        ? ? 
1 1 1 -14 -1  18 o 104.0232 3.199289  2282.687       139.4258 2210.458       
189.9699 2367.023       205.2738 102.2601 4.424859 105.7863 4.621949 -3.526169 
6.398577 
1 1 1 -14 -1  19 o 56.79115 3.691837  662.7519       86.57115 839.7811       
137.4162 546.2536       111.4744 62.87556 5.205675 50.70674 5.236372 12.16882 
7.383674 
1 1 1 -14 -1  20 o 77.27927 3.212385  1273.114       103.6574 1132.595       
147.6157 1409.808       145.5927 73.00134 4.816403 81.55721 4.252050 -8.555862 
6.424770 
1 1 1 -14 -1  21 o 95.40198 3.152010  1934.818       126.1970 1923.127       
180.7323 1945.940       176.2897 95.10233 4.526533 95.70164 4.387615 
-0.5993118     6.304019 
1 1 1 -14 -1  22 f 114.3297 3.359017  2804.220       160.3241 2632.618       
234.8114 2954.081       219.4339 110.9149 5.042553 117.7445 4.438989 -6.829659 
6.718033 
1 1 1 -14 -1  23 o 91.25526 3.192070  1778.986       122.1207 1730.098       
167.4547 1834.525       178.4818 89.94870 4.434285 92.56182 4.592859 -2.613121 
6.384140 
1 1 1 -14 -1  24 o 27.40959 6.121230  158.3158       84.64176 263.4588       
124.1064 66.87960       115.7346 33.33976 8.754354 21.47942 8.557985 11.86034 
12.24246 
1 1 1 -14 -1  25 o 23.47652 6.218999  105.9524       83.16821 134.5513       
121.4733 80.71676       114.1072 25.07476 9.021160 21.87829 8.562854 3.196476 
12.43800 
1 1 1 -14 -1  26 o 58.37801 3.908589  747.7469       95.47895 822.3771       
141.9774 686.1288       129.0078 61.01181 5.542762 55.74419 5.512356 5.267620 
7.817179 
1 1 1 -14 -1  27 o 23.72434 5.927964  108.1357       85.45746 217.2572       
114.6250 -28.41724      128.2256 29.52349 8.678677 17.92519 8.077350 11.59829 
11.85593 
1 1 1 -14 -1  28 o 43.36712 5.223973  450.3957       91.99831 530.5000       
132.1427 375.0482       128.1592 47.88843 6.572548 38.84581 8.121649 9.042625 
10.44795 
1 1 1 -14 -1  29 o 47.53794 4.649049  525.9520       92.24493 582.5339       
140.0110 482.5533       122.6201 49.66473 6.714830 45.41116 6.431615 4.253571 
9.298098 
1 1 1 -14 -1  30 o 21.34859 6.202795  92.03800       91.07552 132.7318       
124.5090 45.20714       133.5681 23.04192 8.959684 19.65525 8.580367 3.386671 
12.40559 
1 1 1 -14 -1  31 o 19.52467 5.973701  62.89708       90.62299 33.42671       
138.4578 84.98370       119.8642 18.90950 8.461780 20.13983 8.434378 -1.230326 
11.94740 
1 1 1 -14 0   1  o 103.3224 4.019966  2246.027       174.0556 2264.709       
254.4960 2229.609       238.5780 103.7178 5.844519 102.9269 5.521060 0.7908630 
8.039932 
1 1 1 -14 0   2  o 223.8232 4.920163  10532.42       438.3027 10650.28       
752.4659 10471.89       539.2245 224.6194 7.979225 223.0270 5.758817 1.592346 
9.840325 
1 1 1 -14 0   3  o 206.6718 5.803140  9058.846       470.0955 8915.875       
825.9374 9127.354       571.7373 205.2303 9.585762 208.1133 6.543614 -2.882965 
11.60628 
1 1 1 -14 0   4  o 133.7913 3.933581  3793.772       209.5725 3688.948       
355.8666 3849.429       259.3075 132.3018 6.406819 135.2808 4.565623 -2.978943 
7.867163 
1 1 1 -14 0   5  f 81.74637 3.290390  1319.506       105.7095 1652.919       
194.1524 1179.022       126.0273 88.61118 5.218856 74.88155 4.008768 13.72963 
6.580781 
1 1 1 -14 0   6  o 402.3490 11.12355  34945.71       1397.517 34883.60       
3404.538 34958.29       1532.589 398.4569 20.35157 406.2411 8.985929 -7.784210 
22.24710 
1 1 1 -14 0   7  o 106.3408 3.415120  2353.700       129.1904 2431.792       
268.8117 2330.246       147.3194 107.3942 5.961953 105.2874 3.332762 2.106720 
6.830241 
1 1 1 -14 0   8  o 186.4000 3.866852  7004.434       183.8723 7735.473       
586.5226 6924.757       193.6334 191.2555 7.304523 181.5445 2.540495 9.711044 
7.733704 
1 1 1 -14 0   9  o 78.79909 2.864712  1242.029       79.84074 1428.589       
171.7315 1190.585       90.17937 82.33578 4.968010 75.26240 2.853975 7.073387 
5.729424 
1 1 1 -14 0   10 o 69.25946 2.517714  1014.523       69.15575 992.9920       
118.6333 1025.605       85.11296 68.67357 4.114699 69.84536 2.902546 -1.171791 
5.035427 
1 1 1 -14 0   11 o 98.93599 2.522842  2053.768       90.85565 2072.857       
181.7296 2047.407       104.9075 99.17761 4.364486 98.69437 2.531835 0.4832458 
5.045684 
1 1 1 -14 0   12 o 110.7104 2.493878  2531.366       105.3190 2697.672       
198.1090 2465.847       124.3462 113.1330 4.170959 108.2878 2.735106 4.845230 
4.987755 
1 1 1 -14 0   13 o 80.00111 2.248103  1360.640       74.35172 1258.786       
113.0704 1438.233       98.68911 77.31574 3.483390 82.68649 2.842862 -5.370743 
4.496206 
1 1 1 -14 0   14 o 66.15324 2.544503  947.8108       68.61961 776.7545       
104.0768 1079.347       91.26582 60.69098 4.084614 71.61550 3.035444 -10.92452 
5.089007 
1 1 1 -14 0   15 o 109.4546 2.107524  2530.073       94.42496 2478.995       
150.5951 2563.163       121.2116 108.5108 3.305666 110.3984 2.615186 -1.887558 
4.215048 
1 1 1 -14 0   16 o 93.01494 2.158081  1814.138       83.71157 1876.110       
126.7975 1766.257       111.4533 94.40631 3.199122 91.62356 2.897390 2.782753 
4.316162 
1 1 1 -14 0   17 o 139.1339 2.981673  4086.569       173.6958 3703.903       
243.3564 4483.963       247.9953 132.4636 4.375897 145.8042 4.051299 -13.34059 
5.963346 
1 1 1 -14 0   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 0   19 f 41.62395 4.807617  387.7425       79.55684 298.3187       
117.3346 463.8355       108.2361 36.54213 7.873033 46.70576 5.519791 -10.16363 
9.615234 
1 1 1 -14 0   20 o 133.1736 3.487375  3765.772       194.8790 3626.727       
270.6035 3915.583       280.8850 130.6217 4.934455 135.7256 4.929330 -5.103882 
6.974751 
1 1 1 -14 0   21 o 78.73602 3.193968  1289.203       104.0398 1484.371       
165.1943 1160.897       133.9415 83.52588 4.710805 73.94617 4.314400 9.579712 
6.387937 
1 1 1 -14 0   22 o 30.41897 6.048343  209.8624       80.93348 243.6017       
116.1009 177.9684       112.8815 32.61752 8.422328 28.22043 8.682984 4.397085 
12.09669 
1 1 1 -14 0   23 o 115.7876 3.194328  2866.787       155.2341 2952.553       
219.8414 2781.499       219.2283 117.5440 4.454820 114.0312 4.579247 3.512802 
6.388655 
1 1 1 -14 0   24 o 73.70896 3.364089  1167.127       103.5216 1342.770       
150.1002 1007.789       142.9637 79.07616 4.521231 68.34177 4.982654 10.73439 
6.728177 
1 1 1 -14 0   25 o 46.05431 4.609749  470.6259       88.05162 473.9633       
135.3779 468.1788       115.9214 45.99823 7.010158 46.11040 5.988056 
-0.1121674     9.219498 
1 1 1 -14 0   26 o 82.72682 3.372276  1487.969       116.8795 1360.414       
162.2470 1625.572       168.5163 78.96786 4.893814 86.48579 4.641072 -7.517929 
6.744551 
1 1 1 -14 0   27 o 15.93535 5.180765  -58.65042      79.79760 -65.97672      
117.6813 -52.41463      108.5702 16.08800 7.427680 15.78270 7.224326 0.3052931 
10.36153 
1 1 1 -14 0   28 o 17.62390 5.435977  -18.58007      81.02547 -114.0124      
116.8719 69.73864       112.4317 14.62959 6.966678 20.61821 8.346543 -5.988612 
10.87195 
1 1 1 -14 0   29 o 26.83502 5.608528  144.2000       94.46961 -126.9725      
141.6806 361.2693       126.7613 15.95533 7.618141 37.71471 8.233242 -21.75938 
11.21706 
1 1 1 -14 0   30 o 47.37508 5.625516  588.5880       103.4995 358.7745       
146.5147 817.4984       146.2266 35.60818 9.586649 59.14199 5.889134 -23.53381 
11.25103 
1 1 1 -14 0   31 o 35.95475 6.494665  377.5545       98.20375 385.3741       
145.6723 371.0402       132.9589 35.89097 9.512346 36.01854 8.845222 
-0.1275635     12.98933 
1 1 1 -14 1   1  f 324.6344 10.82808  22533.02       1436.932 22812.96       
2316.616 22357.98       1831.918 325.5211 16.95103 323.7477 13.47784 1.773376 
21.65617 
1 1 1 -14 1   2  o 485.9845 14.92785  51486.19       2736.137 51823.89       
5143.549 51352.92       3231.254 482.8673 25.37209 489.1017 15.73595 -6.234375 
29.85570 
1 1 1 -14 1   3  o 389.5028 9.644045  32635.52       1467.507 31778.24       
2583.095 33044.07       1783.237 384.4215 16.00493 394.5842 10.76441 -10.16266 
19.28809 
1 1 1 -14 1   4  o 179.1406 4.157166  6783.605       291.5495 6693.777       
513.9162 6826.234       354.0349 178.1498 6.871128 180.1314 4.681422 -1.981552 
8.314331 
1 1 1 -14 1   5  o 147.0662 3.695397  4365.263       197.9504 4935.008       
406.1877 4187.803       226.6918 152.9996 6.323500 141.1328 3.825858 11.86678 
7.390794 
1 1 1 -14 1   6  o 190.3903 4.631119  7421.191       299.9812 8037.003       
671.4384 7267.616       335.3068 194.9113 8.205222 185.8694 4.296903 9.041840 
9.262238 
1 1 1 -14 1   7  o 234.6871 5.998206  11696.07       467.9965 11620.66       
1056.630 11714.47       521.9889 233.5608 10.77567 235.8134 5.272466 -2.252625 
11.99641 
1 1 1 -14 1   8  o 176.0159 3.939176  6474.320       206.5798 6614.780       
539.6481 6450.203       223.6125 176.8544 7.268016 175.1775 3.040457 1.676895 
7.878353 
1 1 1 -14 1   9  o 161.2355 3.569145  5447.321       185.3166 5529.517       
438.9513 5429.492       204.4282 161.7629 6.463363 160.7081 3.029870 1.054779 
7.138289 
1 1 1 -14 1   10 o 128.0477 2.443703  3425.665       115.9806 3499.675       
226.3394 3399.312       135.0598 128.9151 4.181936 127.1804 2.529455 1.734772 
4.887406 
1 1 1 -14 1   11 o 102.6564 2.649890  2146.974       100.6071 2370.509       
200.6026 2071.854       116.2895 106.0451 4.505748 99.26758 2.790321 6.777557 
5.299779 
1 1 1 -14 1   12 o 210.1744 2.629288  9312.817       205.5628 9280.751       
396.3813 9324.613       240.4194 209.7693 4.500827 210.5795 2.719409 
-0.8102570     5.258576 
1 1 1 -14 1   13 o 88.86247 2.402210  1670.513       87.53267 1624.660       
138.6361 1700.910       112.8769 87.81377 3.760405 89.91117 2.990285 -2.097397 
4.804420 
1 1 1 -14 1   14 o 41.84883 3.202263  369.2335       55.20004 372.1340       
87.06306 367.2838       71.38118 41.96374 4.941751 41.73393 4.073948 0.2298126 
6.404526 
1 1 1 -14 1   15 f 133.2440 2.231381  3669.862       117.1090 3929.193       
208.0706 3549.621       141.6806 136.5697 3.628920 129.9183 2.597534 6.651459 
4.462762 
1 1 1 -14 1   16 o 133.3353 2.246696  3703.352       119.2213 3863.355       
206.2528 3623.066       146.1024 135.4203 3.627747 131.2502 2.651421 4.170151 
4.493393 
1 1 1 -14 1   17 o 119.2934 2.284922  3028.312       112.9998 2745.617       
168.8121 3257.813       152.1025 114.1616 3.522125 124.4252 2.911717 -10.26361 
4.569843 
1 1 1 -14 1   18 o 106.6591 2.753900  2337.169       104.8876 2520.996       
219.2026 2282.582       119.4497 109.1710 4.782551 104.1472 2.731862 5.023796 
5.507800 
1 1 1 -14 1   19 o 86.89579 3.897637  1594.986       142.1933 0.000000       
0.000000 1594.986       142.1933 ?        ?        86.89579 3.897637 ? ? 
1 1 1 -14 1   20 o 67.48407 3.353176  964.7386       94.64754 990.1697       
140.8065 943.7771       127.8353 68.26587 4.912926 66.70228 4.564900 1.563591 
6.706351 
1 1 1 -14 1   21 o 140.6668 3.163371  4196.759       186.4144 4295.402       
274.0509 4111.814       254.3135 142.1587 4.591758 139.1750 4.352405 2.983673 
6.326742 
1 1 1 -14 1   22 o 87.88628 3.162961  1645.966       116.5047 1760.187       
165.0558 1532.553       164.4709 90.96872 4.321751 84.80383 4.619498 6.164894 
6.325922 
1 1 1 -14 1   23 o 92.67513 3.145370  1834.026       122.3732 1830.277       
172.0179 1837.868       174.1249 92.58734 4.425304 92.76292 4.471029 
-0.1755829     6.290741 
1 1 1 -14 1   24 f 122.0505 3.734535  3222.290       191.2682 3181.573       
273.6729 3261.168       267.4235 121.2314 5.376971 122.8697 5.184130 -1.638298 
7.469071 
1 1 1 -14 1   25 o 73.59532 3.376487  1169.316       104.2494 1125.499       
144.1371 1217.380       150.9614 72.15939 4.757777 75.03125 4.792309 -2.871857 
6.752975 
1 1 1 -14 1   26 o 74.72285 3.372852  1211.908       105.7039 1273.980       
153.6400 1156.120       145.6551 76.52946 4.781857 72.91625 4.757978 3.613205 
6.745704 
1 1 1 -14 1   27 o 20.99886 5.837114  60.85137       79.10643 136.0367       
115.5106 -5.557287      108.5594 24.57399 8.801337 17.42373 7.669686 7.150253 
11.67423 
1 1 1 -14 1   28 o 32.74166 6.254502  259.7123       90.35255 387.2445       
140.3022 169.3463       118.1020 39.21379 8.747102 26.26953 8.942225 12.94426 
12.50900 
1 1 1 -14 1   29 o 60.35845 4.509029  847.9399       112.7965 818.1208       
171.2681 870.7814       149.8963 58.90502 6.925404 61.81188 5.776172 -2.906864 
9.018059 
1 1 1 -14 1   30 o 37.19196 6.015681  362.8246       92.01791 415.3848       
134.2275 316.2220       126.3916 40.03100 8.268498 34.35292 8.739887 5.678078 
12.03136 
1 1 1 -14 1   31 o 20.18032 6.103220  63.46976       95.58411 127.7574       
131.4385 -8.688660      139.2523 22.46240 9.052750 17.89824 8.188096 4.564157 
12.20644 
1 1 1 -14 2   1  o 244.3629 8.003211  12599.30       776.1882 12956.20       
1344.658 12420.95       950.5405 246.4747 12.99453 242.2511 9.346004 4.223648 
16.00642 
1 1 1 -14 2   2  o 285.3616 8.264735  17301.44       923.7574 17371.44       
1632.055 17268.45       1120.522 285.1135 13.63447 285.6097 9.344767 
-0.4962463     16.52947 
1 1 1 -14 2   3  o 131.6007 3.622843  3730.840       195.3519 3105.569       
293.6294 4227.383       261.6640 121.4295 5.759656 141.7720 4.396172 -20.34251 
7.245686 
1 1 1 -14 2   4  o 74.84532 3.739839  1186.843       111.5692 1155.374       
189.1384 1203.636       138.1680 74.04399 6.084305 75.64664 4.350496 -1.602654 
7.479678 
1 1 1 -14 2   5  o 233.8974 5.318794  11616.89       487.1041 11389.11       
856.6382 11725.73       592.1530 231.9229 8.797817 235.8720 5.979689 -3.949127 
10.63759 
1 1 1 -14 2   6  o 177.3379 3.795965  6674.422       247.7211 6520.797       
483.2910 6729.166       288.5025 175.7930 6.548296 178.8828 3.841511 -3.089828 
7.591929 
1 1 1 -14 2   7  o 175.4944 4.018718  5844.658       184.5937 7362.937       
589.7072 5679.729       194.3615 186.5851 7.528014 164.4036 2.815917 22.18152 
8.037436 
1 1 1 -14 2   8  o 63.50636 3.319014  799.2084       73.54368 941.1104       
162.0833 762.4194       82.52818 66.79370 5.779946 60.21903 3.264297 6.574673 
6.638028 
1 1 1 -14 2   9  o 89.45592 3.054883  1511.857       86.39413 1959.445       
221.6193 1431.649       93.81628 96.37782 5.477112 82.53403 2.707486 13.84378 
6.109766 
1 1 1 -14 2   10 o 212.2930 3.473685  9294.396       228.1567 9814.688       
573.7897 9196.683       248.6598 215.4302 6.344059 209.1558 2.831762 6.274384 
6.947370 
1 1 1 -14 2   11 o 170.6640 3.246952  5891.103       180.4570 6543.876       
430.5566 5751.998       198.7568 175.9365 5.829019 165.3915 2.862398 10.54495 
6.493903 
1 1 1 -14 2   12 o 227.0497 3.265527  10830.61       289.8138 11000.82       
515.9819 10752.16       350.2881 228.1424 5.387033 225.9570 3.692501 2.185379 
6.531055 
1 1 1 -14 2   13 f 121.6571 1.946216  3128.313       98.91448 2861.357       
142.7014 3375.195       137.2313 116.6223 2.914523 126.6919 2.580034 -10.06958 
3.892432 
1 1 1 -14 2   14 o 210.9743 2.774271  9297.889       218.4798 9569.453       
422.2708 9198.618       255.3085 212.8588 4.725204 209.0899 2.908395 3.768921 
5.548542 
1 1 1 -14 2   15 o 137.7343 2.150474  4002.123       120.8930 3949.708       
194.6823 4035.020       154.2337 136.9573 3.385809 138.5113 2.652254 -1.554016 
4.300948 
1 1 1 -14 2   16 o 115.6962 2.073451  2809.284       98.65681 2851.669       
156.6471 2781.419       127.0115 116.3914 3.205698 115.0010 2.630646 1.390388 
4.146902 
1 1 1 -14 2   17 o 37.17374 3.788867  285.4297       57.99719 328.1166       
93.69241 258.9117       73.84624 39.35444 5.670635 34.99303 5.026526 4.361412 
7.577734 
1 1 1 -14 2   18 o 62.94891 2.763928  836.2072       71.87155 834.8853       
112.0720 837.1304       93.66909 62.87827 4.245391 63.01955 3.540316 
-0.1412888     5.527855 
1 1 1 -14 2   19 f 92.69449 2.303053  1786.885       86.73477 1907.096       
143.9029 1718.297       108.6978 95.06504 3.605534 90.32394 2.866415 4.741104 
4.606106 
1 1 1 -14 2   20 o 68.98787 3.440289  1010.858       99.63126 1028.217       
140.8677 993.4827       140.9321 69.58768 4.821698 68.38806 4.908521 1.199623 
6.880578 
1 1 1 -14 2   21 o 109.9671 5.018883  2575.820       231.7121 2575.820       
231.7121 0.000000       0.000000 109.9671 5.018883 ?        ?        ? ? 
1 1 1 -14 2   22 o 16.96112 5.368440  -49.06725      80.32246 -106.9028      
118.6991 -0.2129736     109.0941 15.60334 7.301423 18.31890 7.872090 -2.715560 
10.73688 
1 1 1 -14 2   23 o 99.31860 3.366299  2106.749       140.1690 1957.021       
194.2007 2269.577       202.5186 95.61066 4.837997 103.0266 4.682057 -7.415901 
6.732598 
1 1 1 -14 2   24 o 89.40957 3.131156  1712.302       117.4132 1610.190       
164.6181 1818.039       167.5145 86.65701 4.524755 92.16213 4.329334 -5.505127 
6.262311 
1 1 1 -14 2   25 o 21.96891 6.006680  75.20004       80.53354 124.6777       
116.9656 30.60224       111.0479 24.51594 8.849013 19.42188 8.125009 5.094057 
12.01336 
1 1 1 -14 2   26 o 69.38747 3.508127  1045.972       101.6137 902.2092       
139.9571 1206.229       147.7677 64.24011 5.189312 74.53483 4.722167 -10.29472 
7.016254 
1 1 1 -14 2   27 o 92.02641 3.365755  1856.138       129.4852 1784.785       
189.6473 1918.448       177.2228 90.16857 5.009710 93.88425 4.496225 -3.715675 
6.731511 
1 1 1 -14 2   28 o 25.03839 6.520295  144.7502       91.65511 100.0639       
145.3489 174.2493       118.0942 23.45496 9.492043 26.62183 8.941930 -3.166868 
13.04059 
1 1 1 -14 2   29 o 75.16122 3.989174  1287.856       124.2265 1219.908       
187.9336 1340.584       165.5526 72.87625 6.142419 77.44621 5.091632 -4.569954 
7.978347 
1 1 1 -14 2   30 o 31.14013 6.465802  264.0399       95.66553 163.8598       
135.5674 363.4087       135.0173 25.28503 9.468579 36.99524 8.807520 -11.71021 
12.93160 
1 1 1 -14 2   31 o 22.86028 6.344060  123.7871       93.13678 202.6242       
133.1180 48.18753       130.3560 26.32992 9.446547 19.39065 8.470607 6.939268 
12.68812 
1 1 1 -14 3   1  o 283.0464 8.315350  17053.17       919.2502 17058.93       
1631.024 17050.48       1112.832 282.3545 13.75900 283.7382 9.341850 -1.383667 
16.63070 
1 1 1 -14 3   2  o 99.91258 3.248405  2023.134       128.0771 2323.586       
229.9831 1888.063       154.2018 105.0609 5.214057 94.76424 3.875841 10.29668 
6.496809 
1 1 1 -14 3   3  o 88.55128 3.289116  1627.726       114.2250 1711.574       
203.8271 1589.338       137.9160 90.15642 5.385008 86.94614 3.778205 3.210281 
6.578232 
1 1 1 -14 3   4  o 269.2896 8.080432  15488.92       815.1343 15347.92       
1549.169 15542.90       958.5572 267.5503 13.79160 271.0290 8.424096 -3.478760 
16.16086 
1 1 1 -14 3   5  o 25.75722 5.933661  137.2679       79.54945 9.082582       
140.7714 197.4059       96.42067 21.52884 9.083863 29.98560 7.636539 -8.456755 
11.86732 
1 1 1 -14 3   6  o 98.05827 3.082463  1898.518       100.1600 2231.159       
236.7291 1825.987       110.5417 102.8980 5.479815 93.21857 2.824522 9.679390 
6.164925 
1 1 1 -14 3   7  o 35.75754 5.327603  217.7231       68.74044 438.7446       
147.3231 156.2123       77.71933 44.82655 8.127179 26.68853 6.890747 18.13802 
10.65521 
1 1 1 -14 3   8  o 116.4521 3.331249  2640.802       110.5676 3160.306       
316.3177 2568.493       118.0118 122.3437 6.158328 110.5604 2.542418 11.78329 
6.662499 
1 1 1 -14 3   9  o 148.8391 3.976666  4313.671       135.4519 5125.156       
495.8276 4248.226       140.8080 155.4871 7.595520 142.1911 2.358717 13.29593 
7.953331 
1 1 1 -14 3   10 o 120.8136 2.298286  3122.150       105.9717 2943.890       
193.1819 3198.882       126.7435 118.2523 3.891150 123.3748 2.446923 -5.122528 
4.596573 
1 1 1 -14 3   11 o 79.76460 2.525201  1352.827       80.07547 1296.208       
135.9078 1382.933       99.10393 78.43666 4.127114 81.09254 2.910925 -2.655876 
5.050402 
1 1 1 -14 3   12 f 109.0473 2.298150  2521.075       100.2448 2440.552       
168.4239 2565.251       124.7474 107.6453 3.726744 110.4492 2.690233 -2.803909 
4.596300 
1 1 1 -14 3   13 o 114.6997 2.373679  2758.908       108.8541 2805.727       
185.3853 2734.273       134.4777 115.3886 3.826779 114.0107 2.809477 1.377846 
4.747357 
1 1 1 -14 3   14 o 158.0923 2.883121  5259.207       182.7047 5308.542       
308.8275 5232.641       226.6171 158.5555 4.639336 157.6292 3.424342 0.9262848 
5.766243 
1 1 1 -14 3   15 o 27.81839 4.863182  172.6540       55.82395 158.3201       
88.70490 182.0536       71.83213 26.87881 7.550672 28.75797 6.131026 -1.879160 
9.726363 
1 1 1 -14 3   16 o 61.19519 2.702579  784.4536       67.88536 811.6088       
108.8618 767.1745       86.83770 62.03283 4.179986 60.35755 3.426871 1.675285 
5.405158 
1 1 1 -14 3   17 o 100.7866 2.210306  2093.937       90.33579 2306.139       
151.5313 1976.940       112.5160 104.6349 3.449425 96.93832 2.764647 7.696564 
4.420612 
1 1 1 -14 3   18 o 49.26673 3.186011  525.5147       63.57809 458.6458       
100.5101 570.1174       82.08754 46.54015 5.144022 51.99331 3.760546 -5.453152 
6.372022 
1 1 1 -14 3   19 o 68.32033 2.539115  978.5601       70.51356 1010.120       
116.0004 960.0635       88.80419 69.14629 3.995873 67.49435 3.133914 1.651939 
5.078230 
1 1 1 -14 3   20 o 31.02224 4.668408  186.5235       61.21080 355.5062       
101.7765 90.76312       76.61597 40.80096 5.941527 21.24352 7.202388 19.55745 
9.336816 
1 1 1 -14 3   21 o 72.02487 3.348290  1100.601       101.1183 1029.912       
139.5540 1178.736       146.7208 69.58740 4.776751 74.46235 4.693274 -4.874947 
6.696579 
1 1 1 -14 3   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 3   23 o 109.4846 3.239035  2555.562       148.7078 2469.262       
204.3277 2652.755       216.8386 107.5454 4.525396 111.4238 4.635319 -3.878418 
6.478070 
1 1 1 -14 3   24 o 41.11125 5.029394  379.6783       83.68181 468.1776       
120.7547 297.9098       116.0720 46.31802 6.209767 35.90448 7.913153 10.41354 
10.05879 
1 1 1 -14 3   25 o 57.65917 3.795778  717.3513       91.43788 823.1418       
135.6485 629.2498       123.7891 61.56940 5.247724 53.74895 5.485718 7.820454 
7.591555 
1 1 1 -14 3   26 o 46.55349 4.527627  485.4991       87.87421 453.7882       
129.0709 512.8970       119.9730 44.93737 6.841350 48.16961 5.932415 -3.232243 
9.055253 
1 1 1 -14 3   27 o 34.69319 5.994046  301.7432       88.73547 209.9771       
130.1542 381.4427       121.2955 29.19262 9.378274 40.19375 7.467418 -11.00113 
11.98809 
1 1 1 -14 3   28 o 59.60859 4.113554  799.1836       102.7268 790.0894       
149.5559 807.3068       141.3467 59.14566 6.022847 60.07151 5.604517 
-0.9258537     8.227107 
1 1 1 -14 3   29 o 40.02018 5.959624  398.0483       95.70359 440.0110       
150.3751 369.4800       124.0757 41.41952 8.903271 38.62084 7.924660 2.798683 
11.91925 
1 1 1 -14 3   30 o 41.84682 5.894137  455.1123       100.1432 378.0030       
150.2727 516.7142       134.3148 37.14197 9.577746 46.55167 6.872422 -9.409698 
11.78827 
1 1 1 -14 3   31 o 46.06950 5.595927  556.0024       104.1723 483.3087       
151.6419 620.9648       143.3513 41.86251 8.895777 50.27650 6.791373 -8.413998 
11.19185 
1 1 1 -14 3   32 f 23.14112 6.262949  138.4971       92.67493 37.31680       
135.2693 228.0005       127.2246 18.89454 8.411788 27.38771 9.281162 -8.493172 
12.52590 
1 1 1 -14 4   1  o 129.7228 4.235959  3579.851       219.6608 3435.682       
368.6508 3659.212       273.5177 127.5962 6.881746 131.8495 4.941149 -4.253380 
8.471917 
1 1 1 -14 4   2  o 167.3123 4.279122  5934.976       291.7799 5754.509       
469.4230 6048.596       372.4734 165.1405 6.770674 169.4841 5.234647 -4.343658 
8.558245 
1 1 1 -14 4   3  f 132.1626 4.344474  3703.625       214.4982 3636.688       
409.2033 3728.985       251.8754 131.2008 7.428886 133.1244 4.506603 -1.923553 
8.688948 
1 1 1 -14 4   4  o 52.20930 4.336016  602.1874       83.90057 515.1459       
156.0216 637.5974       99.51385 49.36833 7.527614 55.05027 4.305714 -5.681942 
8.672032 
1 1 1 -14 4   5  f 268.9929 7.794940  15067.46       631.1223 15951.10       
1637.567 14913.31       683.9591 272.0866 14.33550 265.8991 6.126808 6.187500 
15.58988 
1 1 1 -14 4   6  o 97.92503 2.979712  2090.103       114.8144 1796.586       
192.6512 2251.779       142.9808 92.35591 4.968531 103.4941 3.290660 -11.13823 
5.959424 
1 1 1 -14 4   7  o 27.90963 5.746349  105.2115       67.27972 312.3872       
142.1326 45.38466       76.37873 37.59960 9.090853 18.21967 7.031253 19.37993 
11.49270 
1 1 1 -14 4   8  o 86.73904 3.312938  1676.590       98.86430 1425.014       
204.7311 1753.095       112.9005 82.15681 5.935556 91.32128 2.944726 -9.164474 
6.625876 
1 1 1 -14 4   9  o 39.53876 5.145881  378.7408       66.04663 270.7877       
142.6323 408.2061       74.51702 35.04425 9.469566 44.03326 4.030841 -8.989010 
10.29176 
1 1 1 -14 4   10 o 52.42299 3.194782  560.7885       65.90489 631.7988       
118.5553 529.0305       79.28416 54.71564 5.160958 50.13034 3.767098 4.585308 
6.389563 
1 1 1 -14 4   11 o 79.70595 2.597137  1354.920       79.49529 1294.388       
143.8657 1381.525       95.37881 78.35788 4.373164 81.05401 2.802841 -2.696129 
5.194273 
1 1 1 -14 4   12 o 82.23708 2.438613  1402.597       82.24864 1520.437       
133.4602 1330.434       104.4390 84.95929 3.741640 79.51485 3.128494 5.444435 
4.877227 
1 1 1 -14 4   13 o 119.3039 2.285158  3011.512       113.6868 2839.113       
167.9171 3157.418       154.4773 116.1127 3.444580 122.4951 3.003773 -6.382431 
4.570315 
1 1 1 -14 4   14 o 148.7414 2.499164  4559.044       145.6173 4939.651       
262.1331 4389.172       175.1239 153.0491 4.079548 144.4338 2.888004 8.615356 
4.998327 
1 1 1 -14 4   15 o 133.3262 2.226443  3753.611       123.4049 3650.022       
186.7026 3833.978       164.4496 131.6606 3.377658 134.9919 2.901658 -3.331238 
4.452886 
1 1 1 -14 4   16 o 69.81186 2.542349  1040.150       72.97399 952.1619       
112.5683 1103.930       95.83987 67.20353 3.989746 72.42020 3.152155 -5.216667 
5.084698 
1 1 1 -14 4   17 o 16.45445 4.813891  -10.22485      56.01708 64.70740       
89.80653 -57.94490      71.66778 20.35646 7.687868 12.55245 5.795766 7.804008 
9.627783 
1 1 1 -14 4   18 o 112.4243 2.349734  2628.093       105.0579 2770.888       
182.4469 2557.258       128.5000 114.6169 3.791481 110.2317 2.776629 4.385254 
4.699467 
1 1 1 -14 4   19 o 94.90426 2.266160  1895.717       87.25851 1909.658       
143.3831 1887.516       109.9665 95.13080 3.590029 94.67772 2.766518 0.4530792 
4.532320 
1 1 1 -14 4   20 f 185.6257 2.571585  7247.161       184.6108 7365.207       
335.1018 7195.721       221.2061 186.4750 4.280329 184.7763 2.851489 1.698700 
5.143171 
1 1 1 -14 4   21 o 57.60889 2.872982  650.5634       66.67393 986.1119       
112.3297 468.0433       82.84608 68.23711 3.920982 46.98066 4.200238 21.25646 
5.745964 
1 1 1 -14 4   22 o 85.31549 2.863152  1465.539       92.22826 1728.976       
180.2218 1372.071       107.3501 90.06013 4.766459 80.57085 3.173552 9.489281 
5.726304 
1 1 1 -14 4   23 o 61.12000 4.968821  800.1508       127.5016 0.000000       
0.000000 800.1508       127.5016 ?        ?        61.12000 4.968821 ? ? 
1 1 1 -14 4   24 o 97.54015 3.352496  2041.198       137.2361 1975.725       
191.1746 2110.810       197.1245 95.92487 4.747008 99.15543 4.735274 -3.230560 
6.704991 
1 1 1 -14 4   25 o 65.93397 3.539146  939.6985       97.81812 869.9944       
136.0612 1014.267       140.7283 63.36234 5.114746 68.50560 4.893014 -5.143265 
7.078292 
1 1 1 -14 4   26 f 18.75738 5.716918  0.1243684      84.73875 -66.06216      
126.7841 53.56329       113.9224 17.01163 7.795188 20.50314 8.364668 -3.491507 
11.43384 
1 1 1 -14 4   27 o 75.65213 3.519035  1267.298       110.2363 1141.386       
164.4122 1370.131       148.5822 71.88795 5.447522 79.41632 4.456336 -7.528374 
7.038070 
1 1 1 -14 4   28 o 25.84545 6.555457  154.2693       90.14468 188.2481       
136.4934 127.9838       120.0512 27.62457 9.599143 24.06633 8.930427 3.558237 
13.11091 
1 1 1 -14 4   29 o 70.93438 3.944312  1139.557       115.3303 1107.044       
178.9260 1162.667       150.8481 69.55648 6.127129 72.31228 4.968771 -2.755798 
7.888624 
1 1 1 -14 4   30 o 21.65660 6.279371  47.07690       95.46590 187.4957       
149.8435 -48.86053      123.8566 26.72920 9.965479 16.58399 7.642725 10.14521 
12.55874 
1 1 1 -14 4   31 o 69.12473 4.735318  1112.051       129.6392 705.7671       
168.1646 1707.199       203.5317 52.83111 7.581686 85.41833 5.675472 -32.58723 
9.470635 
1 1 1 -14 4   32 o 27.39807 6.658047  230.5184       95.13409 176.3668       
136.9773 280.9801       132.2282 24.46177 9.421086 30.33437 9.410710 -5.872606 
13.31609 
1 1 1 -14 5   1  o 138.7108 4.416553  4039.639       230.4305 4101.306       
438.4368 4016.104       270.8561 139.2911 7.497298 138.1305 4.670574 1.160599 
8.833105 
1 1 1 -14 5   2  o 139.1206 4.469619  4127.683       250.8676 3917.371       
411.1721 4252.400       316.6310 136.1642 7.192531 142.0769 5.308246 -5.912689 
8.939239 
1 1 1 -14 5   3  f 162.9288 4.094606  5583.252       270.4698 5647.562       
445.6837 5545.759       340.2971 163.5799 6.489598 162.2776 4.994830 1.302307 
8.189213 
1 1 1 -14 5   4  o 203.5428 6.407974  8733.536       505.1229 8946.192       
915.8746 8640.574       605.5453 204.8902 10.64721 202.1954 7.133397 2.694748 
12.81595 
1 1 1 -14 5   5  o 261.0335 7.026256  14473.95       691.3917 14565.53       
1306.078 14438.29       814.9415 260.8182 11.92758 261.2488 7.430073 
-0.4306335     14.05251 
1 1 1 -14 5   6  o 153.9600 3.672604  4743.569       180.4453 5392.462       
444.2595 4615.367       197.4676 159.7529 6.623828 148.1670 3.174427 11.58585 
7.345209 
1 1 1 -14 5   7  o 49.83959 4.572014  569.3011       76.82667 464.5388       
153.9286 604.0558       88.65902 46.10293 8.250885 53.57626 3.941592 -7.473331 
9.144028 
1 1 1 -14 5   8  o 82.77463 3.292179  1379.761       88.88915 1547.176       
212.1279 1344.104       97.89880 85.59004 5.903309 79.95922 2.916285 5.630821 
6.584359 
1 1 1 -14 5   9  f 52.32162 2.996593  559.4103       63.61287 642.4504       
107.3088 514.4178       78.98800 55.20852 4.629675 49.43473 3.805835 5.773781 
5.993186 
1 1 1 -14 5   10 o 202.2649 3.706176  8532.185       260.9064 8828.261       
559.7883 8450.019       294.8954 204.1561 6.531043 200.3736 3.505488 3.782486 
7.412353 
1 1 1 -14 5   11 o 53.07675 3.201147  629.4904       64.94014 502.4503       
112.2478 693.4050       79.61744 48.75299 5.484004 57.40052 3.303798 -8.647530 
6.402295 
1 1 1 -14 5   12 o 104.6271 2.283072  2313.898       98.16819 2254.601       
154.5675 2353.988       127.0922 103.4691 3.558186 105.7852 2.861640 -2.316071 
4.566144 
1 1 1 -14 5   13 o 71.81728 2.206056  1092.452       65.40865 1045.485       
101.0164 1126.359       85.83124 70.46095 3.414794 73.17361 2.793907 -2.712669 
4.412112 
1 1 1 -14 5   14 o 78.09811 2.215604  1283.825       69.43282 1283.734       
116.8407 1283.875       86.32927 78.06505 3.564992 78.13117 2.631812 
-0.6612396E-01 4.431208 
1 1 1 -14 5   15 o 132.2012 2.271732  3669.385       119.1782 3708.307       
205.8471 3649.760       146.1676 132.6679 3.695727 131.7345 2.642850 0.9334259 
4.543463 
1 1 1 -14 5   16 o 97.80928 2.361890  2001.958       94.29363 2066.636       
153.4998 1962.760       119.4983 99.03723 3.691734 96.58132 2.947065 2.455910 
4.723780 
1 1 1 -14 5   17 o 18.53510 5.012844  46.10651       54.70971 73.65289       
82.85690 24.81310       72.84824 20.47884 7.442293 16.59137 6.717640 3.887476 
10.02569 
1 1 1 -14 5   18 o 62.46105 2.602400  788.8356       65.59765 944.9153       
112.8250 709.1317       80.62538 66.90853 4.016474 58.01358 3.310268 8.894955 
5.204800 
1 1 1 -14 5   19 o 67.47040 2.664552  956.0639       74.46623 991.9618       
116.0649 930.9484       97.08174 68.51225 4.035095 66.42854 3.480999 2.083702 
5.329104 
1 1 1 -14 5   20 o 20.12823 5.285050  69.52245       58.99163 52.91795       
95.12799 79.89786       75.19649 19.90324 7.812503 20.35322 7.119819 
-0.4499798     10.57010 
1 1 1 -14 5   21 o 135.6201 2.293442  3880.347       123.8790 3898.069       
211.9858 3871.157       152.6573 135.7248 3.720220 135.5154 2.683182 0.2094269 
4.586884 
1 1 1 -14 5   22 o 141.1735 2.577939  4182.503       147.3471 4368.837       
245.3536 4077.390       184.2789 143.4518 4.073874 138.8953 3.160160 4.556458 
5.155877 
1 1 1 -14 5   23 o 122.2588 2.246653  3128.615       107.8762 3263.608       
191.4972 3065.863       130.5640 123.9971 3.678511 120.5205 2.580379 3.476524 
4.493306 
1 1 1 -14 5   24 o 26.08577 6.280843  145.4232       83.41145 182.2403       
117.7978 108.4007       118.1261 28.27574 8.904598 23.89580 8.860253 4.379936 
12.56169 
1 1 1 -14 5   25 o 88.56048 4.875915  1694.501       181.2905 1694.501       
181.2905 0.000000       0.000000 88.56048 4.875915 ?        ?        ? ? 
1 1 1 -14 5   26 f 43.77877 5.136016  432.0766       91.36756 529.8627       
137.8174 355.3951       122.0424 48.63406 6.749704 38.92347 7.743136 9.710587 
10.27203 
1 1 1 -14 5   27 o 26.92926 6.396363  154.5355       91.43340 267.3803       
135.5902 60.42824       123.8223 32.68392 9.385247 21.17460 8.693157 11.50932 
12.79273 
1 1 1 -14 5   28 o 80.81883 3.467123  1438.311       117.6139 1437.104       
164.5620 1439.571       168.1585 80.82530 4.849570 80.81236 4.956353 
0.1293945E-01  6.934246 
1 1 1 -14 5   29 o 26.70834 6.186522  164.6839       94.64397 2.944945       
141.1628 296.7573       127.5618 19.47548 8.638386 33.94120 8.858356 -14.46573 
12.37304 
1 1 1 -14 5   30 f 21.29693 6.275014  63.30330       96.66518 -9.614680      
138.4796 132.6002       134.9973 18.64455 8.398210 23.94930 9.325947 -5.304750 
12.55003 
1 1 1 -14 5   31 o 40.97853 5.976162  465.6199       102.6854 266.8966       
147.7859 651.1127       142.7815 29.97085 10.00307 51.98622 6.541913 -22.01537 
11.95232 
1 1 1 -14 5   32 o 25.09641 6.747645  186.5493       99.29713 228.0760       
142.6101 147.4712       138.3418 27.00700 9.768777 23.18582 9.310954 3.821177 
13.49529 
1 1 1 -14 6   1  o 132.7447 4.518126  3742.116       238.6866 3650.428       
406.0367 3790.530       295.0487 131.3708 7.361858 134.1185 5.239935 -2.747696 
9.036253 
1 1 1 -14 6   2  o 105.8240 4.106374  2433.767       157.8355 2217.577       
308.2380 2510.597       183.7537 102.4104 7.169080 109.2376 4.006683 -6.827240 
8.212748 
1 1 1 -14 6   3  o 335.8076 8.844544  24115.78       1120.910 24412.16       
2113.833 23999.83       1322.097 335.6115 15.00220 336.0036 9.372179 
-0.3921204     17.68909 
1 1 1 -14 6   4  o 224.2775 5.120914  10643.61       450.4247 10635.25       
793.4274 10647.58       547.1372 223.9009 8.440583 224.6542 5.800999 
-0.7533112     10.24183 
1 1 1 -14 6   5  f 126.2838 3.245786  3379.319       159.3258 3303.527       
283.9012 3414.163       192.4971 125.1643 5.402661 127.4033 3.598857 -2.238930 
6.491573 
1 1 1 -14 6   6  o 33.77572 5.640277  271.8538       76.00168 166.8974       
142.4213 313.6426       89.86711 28.99529 9.819839 38.55615 5.551728 -9.560865 
11.28055 
1 1 1 -14 6   7  o 126.2995 3.867549  3296.134       142.0894 3464.568       
384.5841 3269.508       152.9083 127.8922 7.162559 124.7069 2.920530 3.185387 
7.735098 
1 1 1 -14 6   8  f 186.8301 4.938975  7466.513       231.4007 7304.917       
728.9618 7484.622       244.0218 185.0046 9.385193 188.6555 3.080918 -3.650894 
9.877950 
1 1 1 -14 6   9  o 63.67096 2.825249  878.9401       70.68864 778.9197       
120.0447 932.0311       87.45992 60.77597 4.704701 66.56595 3.129522 -5.789974 
5.650497 
1 1 1 -14 6   10 o 66.83234 2.677597  867.6837       70.93944 1170.345       
128.8774 736.1196       84.97024 74.52526 4.119024 59.13942 3.422243 15.38584 
5.355195 
1 1 1 -14 6   11 o 115.5702 2.520297  2801.000       110.1236 2839.027       
207.7442 2786.139       129.8719 116.0359 4.264397 115.1044 2.687474 0.9314880 
5.040595 
1 1 1 -14 6   12 o 124.3002 2.034015  3271.582       103.4166 3153.636       
164.5296 3348.616       132.9670 122.4038 3.201624 126.1966 2.509675 -3.792824 
4.068029 
1 1 1 -14 6   13 o 247.4283 3.307204  12967.89       300.6360 12846.29       
589.8107 13010.57       349.4375 246.2822 5.704278 248.5744 3.348376 -2.292145 
6.614409 
1 1 1 -14 6   14 o 73.34039 2.200468  1145.543       66.61781 1047.281       
101.4121 1220.133       88.35532 70.52050 3.425277 76.16029 2.763282 -5.639793 
4.400937 
1 1 1 -14 6   15 o 33.71481 4.363364  233.1865       59.08007 354.7921       
94.35356 154.7594       75.77306 40.94551 5.488746 26.48411 6.784500 14.46140 
8.726727 
1 1 1 -14 6   16 o 212.0667 2.969630  9473.154       242.9894 9520.943       
441.7563 9452.422       290.9601 212.2466 4.957503 211.8868 3.270775 0.3598022 
5.939260 
1 1 1 -14 6   17 o 24.69473 4.440794  125.4384       57.21373 -6.031589      
85.00999 234.2986       77.35548 16.13391 6.941583 33.25555 5.540489 -17.12164 
8.881588 
1 1 1 -14 6   18 o 100.8253 2.500877  2145.153       102.9998 2135.685       
165.8655 2151.095       131.4069 100.5924 3.927461 101.0581 3.097190 
-0.4657516     5.001753 
1 1 1 -14 6   19 o 17.66704 5.104796  26.94129       59.25371 11.09237       
94.99493 37.03475       75.80897 17.79308 7.482664 17.54100 6.945899 0.2520866 
10.20959 
1 1 1 -14 6   20 o 80.44656 2.518247  1367.292       82.69231 1367.165       
133.5462 1367.371       105.3096 80.38308 3.957200 80.51004 3.115581 
-0.1269608     5.036494 
1 1 1 -14 6   21 o 38.46252 3.779842  299.1164       58.85217 380.5639       
100.9342 257.1631       72.44069 42.17598 5.700255 34.74907 4.965471 7.426903 
7.559683 
1 1 1 -14 6   22 o 63.77466 2.725024  850.0537       71.65913 927.3745       
114.4627 800.2157       91.89604 66.07738 4.126030 61.47194 3.560746 4.605446 
5.450049 
1 1 1 -14 6   23 o 118.0611 2.207912  2933.289       105.0682 3008.563       
176.0468 2891.642       130.9464 119.1016 3.520723 117.0207 2.665336 2.080902 
4.415824 
1 1 1 -14 6   24 o 32.47715 4.716915  226.6911       62.90923 309.9834       
98.89854 170.0854       81.53006 37.68394 6.251074 27.27036 7.065494 10.41358 
9.433829 
1 1 1 -14 6   25 o 21.34985 5.920536  41.64614       87.30338 -86.77821      
130.0553 146.9823       117.7858 16.82213 7.782555 25.87756 8.924283 -9.055437 
11.84107 
1 1 1 -14 6   26 o 25.36959 10.11808  112.4824       161.9251 112.4824       
161.9251 0.000000       0.000000 25.36959 10.11808 ?        ?        ? ? 
1 1 1 -14 6   27 o 64.67072 3.794257  926.1832       102.4408 838.0564       
147.1149 1009.136       142.7308 61.47173 5.700359 67.86969 5.009137 -6.397957 
7.588514 
1 1 1 -14 6   28 o 78.29958 3.658833  1335.216       119.1888 1608.078       
181.0913 1126.681       158.3128 85.33707 5.054531 71.26208 5.291497 14.07498 
7.317665 
1 1 1 -14 6   29 o 83.60161 3.708733  1567.048       128.9969 1328.007       
181.1293 1813.075       183.7574 76.72995 5.622698 90.47326 4.837774 -13.74331 
7.417466 
1 1 1 -14 6   30 o 39.61224 5.939352  406.7967       97.23824 322.1316       
143.0675 479.4862       132.5637 34.38076 9.566903 44.84371 7.041161 -10.46294 
11.87870 
1 1 1 -14 6   31 o 24.81879 6.604719  164.3234       94.35663 138.9452       
140.8061 185.0084       127.1215 23.70657 9.441359 25.93102 9.238506 -2.224445 
13.20944 
1 1 1 -14 6   32 o 15.24427 5.146292  -96.58915      92.72253 -68.92703      
133.7493 -122.1853      128.6578 15.96839 7.535665 14.52016 7.010780 1.448226 
10.29258 
1 1 1 -14 7   1  o 132.2371 4.581808  3660.128       223.8714 3770.491       
439.5811 3621.479       260.1344 133.3627 7.851012 131.1115 4.725831 2.251266 
9.163616 
1 1 1 -14 7   2  o 78.54305 3.811441  1313.717       120.1238 1256.852       
199.7601 1345.928       150.3440 77.14207 6.167918 79.94402 4.479413 -2.801949 
7.622883 
1 1 1 -14 7   3  o 67.17451 3.910095  997.3687       104.3462 782.8965       
166.1051 1137.178       134.1113 60.86030 6.500849 73.48872 4.346760 -12.62842 
7.820189 
1 1 1 -14 7   4  f 79.01994 3.662786  1326.995       114.7884 1284.756       
196.2894 1348.948       141.5073 77.99650 5.994361 80.04337 4.210895 -2.046875 
7.325572 
1 1 1 -14 7   5  o 252.8286 7.425677  13663.17       574.2832 13692.34       
1439.770 13657.65       626.2584 251.3470 13.64396 254.3103 5.865577 -2.963272 
14.85135 
1 1 1 -14 7   6  o 213.5096 6.529100  9644.332       474.8346 9846.137       
1043.604 9591.648       533.2260 213.9520 11.61824 213.0671 5.960956 0.8848572 
13.05820 
1 1 1 -14 7   7  o 62.16047 3.528460  815.6824       72.26545 813.9406       
165.4475 816.0930       80.33380 62.02665 6.353354 62.29430 3.071645 
-0.2676544     7.056919 
1 1 1 -14 7   8  o 94.97268 3.302450  1781.853       99.81297 2091.113       
248.3847 1722.296       109.0011 99.44321 5.949367 90.50214 2.868752 8.941071 
6.604899 
1 1 1 -14 7   9  f 289.9449 4.511601  17364.21       378.4588 18431.44       
1032.270 17198.49       406.7841 294.0236 8.362428 285.8663 3.389395 8.157257 
9.023203 
1 1 1 -14 7   10 o 92.12761 2.374812  1792.787       86.11424 1768.419       
150.2457 1804.709       105.0884 91.61562 3.906191 92.63960 2.701961 -1.023979 
4.749623 
1 1 1 -14 7   11 o 48.13131 3.464149  515.0891       64.54123 416.7341       
109.4754 567.4858       79.90427 44.35858 5.878412 51.90403 3.666823 -7.545448 
6.928298 
1 1 1 -14 7   12 o 78.65059 2.245934  1311.104       72.97593 1248.086       
112.2717 1357.206       96.02862 76.98172 3.473792 80.31946 2.847744 -3.337738 
4.491868 
1 1 1 -14 7   13 o 87.46060 2.204509  1625.479       78.90651 1537.213       
124.6624 1684.480       101.9223 85.43230 3.475637 89.48891 2.712820 -4.056618 
4.409019 
1 1 1 -14 7   14 o 80.88589 2.117402  1384.549       71.41913 1292.783       
105.1073 1463.257       97.34278 78.36845 3.194572 83.40334 2.779978 -5.034889 
4.234805 
1 1 1 -14 7   15 o 69.14066 2.571865  1010.669       73.43541 986.6597       
113.9415 1027.727       96.04379 68.41236 3.967056 69.86894 3.274207 -1.456581 
5.143731 
1 1 1 -14 7   16 o 86.56377 2.515403  1570.583       90.40794 1631.213       
139.6906 1526.881       118.5959 87.97389 3.782112 85.15363 3.317323 2.820259 
5.030805 
1 1 1 -14 7   17 o 91.03883 2.269920  1727.462       84.97824 1832.125       
136.2492 1660.827       108.7143 93.24695 3.480329 88.83072 2.915039 4.416229 
4.539839 
1 1 1 -14 7   18 o 102.3000 2.125130  2181.415       86.73864 2276.855       
149.2846 2132.774       106.5738 103.9212 3.421620 100.6787 2.521355 3.242546 
4.250260 
1 1 1 -14 7   19 o 149.3777 2.300080  4748.872       137.1909 4564.086       
230.8663 4849.746       170.5750 146.9986 3.740833 151.7568 2.677247 -4.758148 
4.600161 
1 1 1 -14 7   20 o 101.9287 2.188870  2178.833       89.10727 2234.112       
152.3724 2150.102       109.8492 102.8290 3.529488 101.0284 2.589850 1.800613 
4.377740 
1 1 1 -14 7   21 o 13.77962 4.435255  -56.37925      56.40563 -15.46826      
86.12502 -87.10741      74.64104 15.70787 6.873285 11.85137 5.607486 3.856499 
8.870510 
1 1 1 -14 7   22 o 83.38118 2.550533  1461.460       87.65020 1531.902       
139.1939 1415.176       112.8292 84.96815 3.901979 81.79421 3.285641 3.173943 
5.101067 
1 1 1 -14 7   23 o 79.37408 2.446673  1320.691       79.36572 1402.053       
129.5049 1271.754       100.4366 81.22717 3.797570 77.52099 3.085985 3.706184 
4.893346 
1 1 1 -14 7   24 o 150.8264 3.294739  4965.469       199.8095 4572.614       
326.4305 5200.853       252.6749 145.4488 5.345666 156.2040 3.852929 -10.75520 
6.589477 
1 1 1 -14 7   25 o 62.12994 3.413949  822.8423       84.41204 868.8433       
146.1144 799.7985       103.4156 63.15014 5.511118 61.10974 4.030852 2.040398 
6.827898 
1 1 1 -14 7   26 o 78.54443 3.318472  1311.331       99.75550 1402.319       
186.0491 1274.619       118.1791 79.92596 5.544478 77.16289 3.647986 2.763077 
6.636945 
1 1 1 -14 7   27 o 18.71086 8.172398  3.241374       121.3008 0.000000       
0.000000 3.241374       121.3008 ?        ?        18.71086 8.172398 ? ? 
1 1 1 -14 7   28 o 62.99358 4.237322  892.5624       111.9458 922.9849       
162.9260 865.3553       154.0751 63.95445 6.067933 62.03271 5.916061 1.921738 
8.474644 
1 1 1 -14 7   29 o 27.86147 6.642843  190.3871       93.86547 267.8906       
141.1155 128.8838       125.7081 31.75322 9.695856 23.96972 9.082942 7.783501 
13.28569 
1 1 1 -14 7   30 o 26.12158 6.592460  174.8856       93.39029 125.2134       
137.4960 217.4282       127.2463 23.70173 9.364157 28.54143 9.281956 -4.839691 
13.18492 
1 1 1 -14 7   31 o 75.99561 4.298341  1339.570       131.9082 920.8304       
176.1339 1874.384       199.0547 61.59297 6.811346 90.39825 5.244854 -28.80529 
8.596682 
1 1 1 -14 7   32 o 21.51974 6.338998  106.8165       96.01286 69.61062       
140.6683 139.2677       131.3732 20.22976 8.818551 22.80972 9.108500 -2.579952 
12.67800 
1 1 1 -14 8   1  o 164.0414 4.948528  5668.643       326.0254 5807.771       
550.5064 5593.486       404.6133 165.3740 7.928958 162.7087 5.923118 2.665298 
9.897056 
1 1 1 -14 8   2  o 172.2838 5.694484  6194.020       370.9011 6563.474       
706.3954 6053.396       435.8086 175.3399 9.595955 169.2277 6.134023 6.112198 
11.38897 
1 1 1 -14 8   3  o 182.1091 5.409532  7127.025       390.7372 6755.583       
663.6472 7324.105       483.4068 178.0910 8.875981 186.1271 6.186203 -8.036102 
10.81906 
1 1 1 -14 8   4  o 402.4537 11.15942  35303.89       1780.617 36561.16       
3085.911 34676.35       2180.170 404.8331 18.15635 400.0744 12.97988 4.758636 
22.31883 
1 1 1 -14 8   5  o 250.3712 5.440759  12859.68       444.0587 14044.30       
1052.132 12602.92       489.8230 256.2630 9.779244 244.4794 4.772192 11.78363 
10.88152 
1 1 1 -14 8   6  o 96.42485 3.288381  1998.694       123.0800 1857.678       
216.8559 2065.707       149.4908 93.78113 5.507783 99.06858 3.594179 -5.287453 
6.576762 
1 1 1 -14 8   7  o 60.74494 3.606866  763.2510       71.98477 804.3932       
167.6312 753.9488       79.70824 61.62446 6.479220 59.86543 3.171380 1.759037 
7.213733 
1 1 1 -14 8   8  o 40.30857 5.153404  385.2970       68.75311 294.8055       
144.8329 411.6210       78.11573 36.42476 9.407643 44.19238 4.210292 -7.767612 
10.30681 
1 1 1 -14 8   9  o 167.5724 2.733562  5759.931       147.1270 6161.190       
354.1938 5676.258       161.7410 170.8148 4.938971 164.3301 2.344359 6.484756 
5.467124 
1 1 1 -14 8   10 o 213.1455 3.796540  9199.063       262.5029 10264.07       
629.6799 8975.039       288.7947 219.8124 6.823210 206.4786 3.331465 13.33379 
7.593080 
1 1 1 -14 8   11 f 106.1907 2.267002  2383.304       94.66312 2346.026       
165.3754 2401.472       115.4478 105.5184 3.733049 106.8630 2.573234 -1.344559 
4.534003 
1 1 1 -14 8   12 o 101.0713 2.403854  2156.333       101.6698 2076.533       
148.2475 2227.194       139.6985 99.28652 3.556462 102.8561 3.235065 -3.569550 
4.807709 
1 1 1 -14 8   13 o 106.5761 2.012327  2342.603       84.41317 2523.494       
150.4006 2259.417       101.9923 109.4829 3.272083 103.6693 2.343356 5.813622 
4.024654 
1 1 1 -14 8   14 o 24.44560 5.262181  128.9856       58.74326 110.7616       
92.34052 141.3746       76.13590 23.51046 7.907024 25.38075 6.945586 -1.870291 
10.52436 
1 1 1 -14 8   15 o 231.1164 4.113738  11286.98       379.1663 11413.61       
647.9075 11221.02       467.6003 231.7695 6.658521 230.4633 4.832747 1.306168 
8.227475 
1 1 1 -14 8   16 o 36.11175 4.250630  272.7831       62.22309 343.3490       
97.50374 224.3007       80.81941 40.24761 5.770351 31.97589 6.242954 8.271719 
8.501261 
1 1 1 -14 8   17 o 196.7907 3.458449  8219.839       277.0519 8084.130       
448.6148 8303.509       352.2529 195.2795 5.471898 198.3020 4.231054 -3.022476 
6.916899 
1 1 1 -14 8   18 o 85.95641 2.295717  1572.422       81.87945 1436.163       
122.2161 1683.385       110.2901 82.51321 3.527980 89.39960 2.938475 -6.886398 
4.591435 
1 1 1 -14 8   19 o 108.3035 2.402690  2517.229       104.0908 2332.023       
172.6785 2622.938       130.4574 105.0265 3.916159 111.5804 2.784849 -6.553902 
4.805381 
1 1 1 -14 8   20 o 67.13165 2.649757  956.6109       73.81026 930.0394       
112.4712 976.7114       97.82209 66.26829 4.042563 67.99501 3.426738 -1.726723 
5.299514 
1 1 1 -14 8   21 o 32.51790 4.848608  237.1955       62.98785 231.6691       
100.1132 240.8165       81.03721 32.03855 7.556515 32.99725 6.077423 
-0.9587021     9.697215 
1 1 1 -14 8   22 o 33.87950 4.641325  242.1105       63.94931 342.6563       
101.3638 175.6310       82.42239 39.87011 6.055592 27.88890 7.035439 11.98121 
9.282650 
1 1 1 -14 8   23 o 22.56282 5.427268  104.5885       61.79704 126.2346       
89.66101 85.00108       85.29107 24.08238 7.788619 21.04325 7.560314 3.039122 
10.85454 
1 1 1 -14 8   24 o 67.28873 3.080547  975.0819       80.85844 954.5574       
142.8774 984.7527       98.07512 66.51167 5.116663 68.06578 3.432030 -1.554108 
6.161094 
1 1 1 -14 8   25 o 110.3710 3.190819  2458.437       133.3363 3015.665       
260.9577 2261.564       155.1124 117.7872 5.277074 102.9549 3.588563 14.83229 
6.381638 
1 1 1 -14 8   26 o 72.18549 3.130314  1129.088       89.74439 1116.743       
153.4526 1135.506       110.6381 71.54016 5.109111 72.83083 3.618351 -1.290665 
6.260629 
1 1 1 -14 8   27 o 25.96116 5.912292  160.8198       77.97434 79.68257       
121.6780 217.3566       101.5705 21.92629 8.762474 29.99603 7.939762 -8.069740 
11.82458 
1 1 1 -14 8   28 o 25.74028 7.151556  142.9027       111.8043 36.10639       
221.3905 179.4638       129.5359 24.38763 10.81754 27.09292 9.357348 -2.705288 
14.30311 
1 1 1 -14 8   29 o 28.14486 6.669252  201.8350       92.88792 236.1290       
137.6130 173.1329       125.8945 29.94187 9.645691 26.34784 9.212835 3.594030 
13.33850 
1 1 1 -14 8   30 o 29.17902 6.743843  230.4079       99.11557 156.6702       
144.0394 296.7232       136.5977 25.26335 9.678825 33.09469 9.393510 -7.831347 
13.48769 
1 1 1 -14 8   31 o 19.43804 6.036077  30.01489       94.90149 74.74646       
141.0042 -7.027205      128.3136 21.10978 9.006310 17.76630 8.038860 3.343483 
12.07215 
1 1 1 -14 8   32 o 23.53110 6.630166  153.8234       98.04256 162.1411       
143.9948 146.6349       133.8649 23.89841 9.538279 23.16379 9.211822 0.7346268 
13.26033 
1 1 1 -14 9   1  o 59.47681 3.877212  714.5667       92.92080 863.8173       
160.5998 639.4605       113.9264 63.90383 5.986032 55.04978 4.929352 8.854050 
7.754424 
1 1 1 -14 9   2  o 75.89890 3.820469  1201.300       114.4041 1261.886       
201.6703 1172.551       138.9203 77.21573 6.220958 74.58205 4.436624 2.633675 
7.640939 
1 1 1 -14 9   3  o 237.3762 6.490149  12193.09       605.8370 11589.79       
1046.347 12497.34       743.0610 232.1303 10.73655 242.6220 7.294832 -10.49171 
12.98030 
1 1 1 -14 9   4  o 225.4864 5.481826  10825.86       507.7012 10743.95       
804.0833 10880.16       654.7146 224.4699 8.532258 226.5028 6.884929 -2.032944 
10.96365 
1 1 1 -14 9   5  o 251.1389 7.559762  13234.86       601.0255 14105.89       
1464.383 13058.41       659.0969 253.9629 13.73426 248.3150 6.322188 5.647964 
15.11952 
1 1 1 -14 9   6  o 151.7983 3.995243  4921.509       222.0261 4771.383       
435.4097 4974.262       258.1041 149.9428 6.916615 153.6538 4.001038 -3.710999 
7.990487 
1 1 1 -14 9   7  f 56.82122 3.751737  650.3907       69.16171 733.6868       
166.3259 632.9774       76.04812 58.80156 6.737395 54.84088 3.302974 3.960678 
7.503474 
1 1 1 -14 9   8  o 203.3306 5.538321  8207.013       225.3587 9530.795       
944.9959 8127.188       232.0538 210.0910 10.71380 196.5702 2.811850 13.52080 
11.07664 
1 1 1 -14 9   9  o 197.5551 3.074406  8197.791       197.8877 8289.190       
461.1933 8177.168       219.0799 197.9221 5.550214 197.1882 2.646322 0.7339325 
6.148813 
1 1 1 -14 9   10 o 127.2735 2.870480  3393.487       137.9486 3466.010       
261.2247 3365.442       162.4469 128.0886 4.857635 126.4585 3.059740 1.630081 
5.740960 
1 1 1 -14 9   11 o 126.5197 2.642056  3329.807       124.2233 3466.465       
242.4708 3281.172       144.6487 128.1471 4.506836 124.8923 2.758671 3.254730 
5.284112 
1 1 1 -14 9   12 o 69.49900 2.367595  1022.688       68.59246 959.6303       
101.3104 1076.058       93.20451 67.49510 3.575222 71.50290 3.104805 -4.007797 
4.735190 
1 1 1 -14 9   13 o 128.8987 2.531909  3491.357       133.8541 3539.108       
214.1337 3460.732       171.4873 129.5741 3.936299 128.2233 3.185563 1.350800 
5.063819 
1 1 1 -14 9   14 o 112.6605 2.503023  2684.762       115.7409 2618.258       
182.9516 2729.139       149.4486 111.4502 3.909998 113.8707 3.126087 -2.420502 
5.006046 
1 1 1 -14 9   15 f 112.1578 2.524071  2666.730       117.4973 2528.994       
177.5420 2774.066       156.7299 109.5306 3.860882 114.7850 3.252279 -5.254356 
5.048141 
1 1 1 -14 9   16 o 96.49364 2.236562  1964.970       88.61154 1939.193       
140.3689 1982.050       114.2552 95.93459 3.485112 97.05269 2.804074 -1.118103 
4.473124 
1 1 1 -14 9   17 o 67.10014 2.726560  942.1583       75.55189 993.2590       
119.3764 908.0134       97.58156 68.57758 4.146270 65.62272 3.541886 2.954857 
5.453119 
1 1 1 -14 9   18 o 73.80565 2.699773  1178.203       81.63422 951.8424       
120.9668 1367.504       110.6220 67.07918 4.295359 80.53212 3.271850 -13.45294 
5.399547 
1 1 1 -14 9   19 o 136.4011 2.549703  3817.804       138.0499 4273.761       
243.6789 3602.299       167.5271 142.1035 4.084457 130.6987 3.053056 11.40475 
5.099406 
1 1 1 -14 9   20 o 126.7798 2.211672  3349.096       112.3064 3536.817       
192.1653 3251.721       138.4027 129.3456 3.538705 124.2139 2.653967 5.131714 
4.423344 
1 1 1 -14 9   21 o 25.16399 5.110313  115.0522       61.99183 242.0972       
99.37836 34.12632       79.31531 32.76557 7.398781 17.56240 7.051187 15.20317 
10.22063 
1 1 1 -14 9   22 o 57.38618 3.093434  712.0272       72.99111 638.8442       
111.6655 766.6234       96.44834 54.67461 4.864682 60.09774 3.822590 -5.423126 
6.186867 
1 1 1 -14 9   23 o 61.32010 3.549915  765.6565       88.75050 998.7760       
148.8042 636.9451       110.5693 68.13696 5.201797 54.50324 4.832069 13.63372 
7.099829 
1 1 1 -14 9   24 o 44.73212 4.047523  425.4758       71.88406 465.6273       
125.9616 406.0837       87.53848 46.03032 6.518014 43.43393 4.800550 2.596394 
8.095047 
1 1 1 -14 9   25 o 28.41132 5.827981  197.1904       76.22176 119.1642       
125.9196 242.3142       95.75822 24.50651 9.135648 32.31613 7.238881 -7.809626 
11.65596 
1 1 1 -14 9   26 o 34.55566 4.850792  249.9351       67.86019 412.6712       
113.5172 159.4402       84.65089 43.04396 6.281601 26.06737 7.393391 16.97659 
9.701584 
1 1 1 -14 9   27 o 52.33302 3.708352  603.7070       81.37679 596.1069       
117.5278 610.7064       112.7869 51.94746 5.388865 52.71857 5.095843 
-0.7711067     7.416703 
1 1 1 -14 9   28 o 48.31966 4.249186  534.0972       84.72881 450.4199       
123.7070 608.0367       116.2863 44.32593 6.647487 52.31340 5.294641 -7.987476 
8.498371 
1 1 1 -14 9   29 o 61.49678 4.355640  866.2536       112.1212 864.8287       
164.6688 867.4849       153.0903 61.24164 6.404503 61.75193 5.904976 
-0.5102921     8.711281 
1 1 1 -14 9   30 o 36.44084 9.574134  361.8146       148.3841 361.8146       
148.3841 0.000000       0.000000 36.44084 9.574134 ?        ?        ? ? 
1 1 1 -14 9   31 o 33.30577 6.457827  322.0630       99.89170 197.0217       
147.8883 426.9776       135.4643 26.40427 9.889141 40.20726 8.307769 -13.80300 
12.91565 
1 1 1 -14 9   32 o 25.19049 6.765059  190.3665       99.61301 163.7216       
146.5029 213.2766       135.8479 23.95593 9.597657 26.42505 9.536721 -2.469116 
13.53012 
1 1 1 -14 10  1  o 29.23372 6.574466  170.7064       89.50146 230.4841       
144.4230 133.4345       114.0401 32.57105 9.781680 25.89638 8.787101 6.674671 
13.14893 
1 1 1 -14 10  2  o 131.7279 4.292259  3763.999       226.9899 3344.488       
368.6161 4020.243       288.0908 125.4803 6.997129 137.9755 4.973342 -12.49526 
8.584518 
1 1 1 -14 10  3  o 36.54561 6.122050  296.3751       91.55347 296.7608       
142.2328 296.1022       119.6326 36.51917 9.259764 36.57206 8.010916 
-0.5289459E-01 12.24410 
1 1 1 -14 10  4  o 100.1060 3.611279  2129.227       142.9313 2080.329       
246.4720 2154.004       175.4444 99.12567 5.922464 101.0864 4.133975 -1.960747 
7.222557 
1 1 1 -14 10  5  o 163.0941 4.257645  5759.822       245.0386 5399.363       
502.4661 5872.297       280.6769 159.2653 7.514615 166.9228 4.005088 -7.657532 
8.515290 
1 1 1 -14 10  6  o 309.9963 9.394225  20518.29       981.2703 22033.44       
2201.677 20142.71       1096.163 313.0294 16.75288 306.9631 8.505701 6.066315 
18.78845 
1 1 1 -14 10  7  o 67.34273 3.279167  999.1951       76.16772 883.6248       
158.8470 1033.701       86.79688 64.59143 5.857675 70.09402 2.949472 -5.502586 
6.558334 
1 1 1 -14 10  8  o 121.1545 3.721256  3005.164       133.0362 3245.835       
356.0975 2966.124       143.4211 123.5710 6.863939 118.7379 2.877032 4.833084 
7.442511 
1 1 1 -14 10  9  o 201.7278 3.553396  8440.827       234.4020 8860.281       
548.4995 8347.106       259.2697 204.3086 6.394560 199.1470 3.100981 5.161621 
7.106791 
1 1 1 -14 10  10 o 170.0475 3.308681  5701.383       177.4509 6738.971       
447.1978 5507.477       193.3222 178.2990 5.974091 161.7961 2.845998 16.50284 
6.617361 
1 1 1 -14 10  11 o 101.5220 2.486010  2185.167       100.1349 2126.471       
171.3506 2215.609       123.3985 100.4227 4.064200 102.6214 2.864132 -2.198753 
4.972019 
1 1 1 -14 10  12 o 98.41237 2.395178  2040.405       95.81641 2035.031       
156.3368 2043.639       121.2601 98.27039 3.789304 98.55434 2.930646 
-0.2839432     4.790356 
1 1 1 -14 10  13 o 181.0518 3.107956  6945.273       222.0845 6833.520       
385.0543 7000.980       271.8584 179.7924 5.101193 182.3113 3.551814 -2.518921 
6.215911 
1 1 1 -14 10  14 o 87.80064 2.349474  1641.344       85.08010 1514.647       
130.3040 1735.499       112.3298 84.78530 3.660649 90.81597 2.946143 -6.030670 
4.698948 
1 1 1 -14 10  15 o 30.06769 4.606798  210.1871       56.57135 135.7471       
90.41472 258.0778       72.52052 25.19901 7.774595 34.93637 4.944293 -9.737362 
9.213596 
1 1 1 -14 10  16 o 54.48497 3.064455  619.2881       69.29412 676.8670       
108.1408 579.1773       90.25877 56.58958 4.551706 52.38036 4.104328 4.209229 
6.128910 
1 1 1 -14 10  17 o 60.84943 2.720895  771.9757       67.62987 823.0260       
110.6176 741.5033       85.46312 62.40046 4.222383 59.29840 3.432866 3.102051 
5.441791 
1 1 1 -14 10  18 o 81.32895 2.570687  1381.263       86.52083 1486.004       
136.2028 1310.404       112.0274 83.85296 3.868911 78.80494 3.386037 5.048019 
5.141373 
1 1 1 -14 10  19 o 106.0579 2.240930  2371.751       98.78339 2387.029       
150.9464 2360.308       130.6442 106.3179 3.381720 105.7979 2.941264 0.5199432 
4.481859 
1 1 1 -14 10  20 o 47.33941 3.545069  456.1506       67.85815 676.1996       
108.0535 312.8484       87.19784 56.40783 4.562685 38.27099 5.426966 18.13684 
7.090137 
1 1 1 -14 10  21 o 29.24586 5.162133  185.5585       62.74467 243.8537       
99.40484 146.9506       80.89643 32.86021 7.385659 25.63152 7.214049 7.228697 
10.32427 
1 1 1 -14 10  22 o 46.93163 4.201633  478.9012       81.24173 456.2359       
125.8837 495.0799       106.3556 45.83536 6.541691 48.02791 5.274576 -2.192551 
8.403266 
1 1 1 -14 10  23 o 56.04888 3.757617  675.2353       87.00497 689.5206       
136.2502 665.3994       113.0572 56.42047 5.752036 55.67729 4.836612 0.7431793 
7.515234 
1 1 1 -14 10  24 o 50.24897 3.892793  541.0378       80.05334 582.1089       
130.3309 516.1545       101.4456 51.59437 6.016810 48.90356 4.940985 2.690807 
7.785585 
1 1 1 -14 10  25 o 65.14484 2.940586  880.5986       77.39874 1026.271       
132.1436 804.5255       95.49321 68.95199 4.564785 61.33770 3.708225 7.614288 
5.881173 
1 1 1 -14 10  26 o 53.35079 3.731507  604.3200       81.49799 713.6077       
134.4491 540.8391       102.4693 56.88659 5.629489 49.81499 4.899532 7.071594 
7.463013 
1 1 1 -14 10  27 o 27.69464 5.615922  187.4234       76.13863 75.33771       
114.5320 276.1840       101.9206 21.31348 8.506649 34.07579 7.334253 -12.76231 
11.23184 
1 1 1 -14 10  28 o 65.07172 3.430431  939.0983       92.79057 881.9375       
138.4668 985.6912       125.0134 63.00856 5.234402 67.13490 4.435365 -4.126339 
6.860862 
1 1 1 -14 10  29 f 19.68290 5.644110  49.97408       76.65685 -18.11810      
110.3645 113.4457       106.5542 16.79596 7.534350 22.56984 8.405801 -5.773884 
11.28822 
1 1 1 -14 10  30 o 45.49538 5.558059  515.8854       103.2083 487.6081       
150.4431 541.0258       141.8527 43.51451 8.539307 47.47623 7.116763 -3.961720 
11.11612 
1 1 1 -14 10  31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 10  32 o 21.54722 6.428144  104.6667       99.37257 133.2089       
146.8836 80.57664       134.9426 22.67978 9.406828 20.41466 8.763317 2.265123 
12.85629 
1 1 1 -14 11  1  o 49.65723 4.732015  529.5405       94.34228 503.6455       
156.3048 544.3806       118.3267 48.60015 7.660478 50.71431 5.557422 -2.114162 
9.464029 
1 1 1 -14 11  2  o 50.76518 4.541528  551.6799       93.39587 528.2150       
151.8933 565.9445       118.4292 49.81244 7.263095 51.71792 5.454297 -1.905479 
9.083055 
1 1 1 -14 11  3  o 98.65360 3.452113  2071.881       138.4017 1990.819       
223.6638 2122.180       176.1837 96.99493 5.492470 100.3123 4.183433 -3.317352 
6.904226 
1 1 1 -14 11  4  o 94.21603 3.754359  1907.026       135.4423 1803.947       
245.5163 1952.120       162.3878 92.20634 6.342211 96.22574 4.019603 -4.019402 
7.508718 
1 1 1 -14 11  5  o 225.4567 5.384321  10581.98       392.5413 11244.44       
932.6685 10439.37       432.7353 228.5521 9.719929 222.3612 4.635369 6.190918 
10.76864 
1 1 1 -14 11  6  o 194.4623 4.510190  7698.464       249.3796 8482.895       
700.2180 7584.514       266.8787 199.1327 8.375518 189.7919 3.349324 9.340820 
9.020381 
1 1 1 -14 11  7  o 166.2070 4.896290  5563.878       236.0770 6320.098       
651.6734 5449.645       253.2808 171.6003 9.045506 160.8137 3.751460 10.78665 
9.792581 
1 1 1 -14 11  8  o 148.2516 4.360920  4577.243       193.4024 4784.535       
504.7250 4541.568       209.3843 149.6479 8.033510 146.8554 3.396059 2.792450 
8.721841 
1 1 1 -14 11  9  o 106.4134 3.221313  2410.078       114.6744 2358.089       
256.0101 2423.127       128.2612 105.5064 5.779622 107.3204 2.846649 -1.814049 
6.442626 
1 1 1 -14 11  10 o 49.65760 3.079742  499.8646       61.50033 590.7103       
106.4895 454.4005       75.33363 52.88297 4.796361 46.43224 3.864474 6.450733 
6.159484 
1 1 1 -14 11  11 o 222.2352 3.837890  10277.98       316.3908 10819.16       
620.5605 10087.89       367.7829 225.7246 6.548265 218.7458 4.004727 6.978851 
7.675780 
1 1 1 -14 11  12 o 275.3989 4.217288  16063.84       460.1278 16108.08       
795.2742 16041.58       564.1398 275.2471 6.882008 275.5507 4.876478 
-0.3035889     8.434575 
1 1 1 -14 11  13 o 170.7085 2.718551  6151.727       185.5656 6111.923       
314.1001 6173.068       229.9937 170.1760 4.396335 171.2410 3.199111 -1.065018 
5.437101 
1 1 1 -14 11  14 o 103.5830 2.413740  2291.002       102.9711 2075.866       
157.4405 2451.819       136.1212 99.23531 3.778951 107.9307 3.004013 -8.695358 
4.827481 
1 1 1 -14 11  15 o 165.8054 2.656032  5807.920       178.2720 5756.122       
293.3178 5838.263       224.4935 165.1172 4.231236 166.4935 3.211646 -1.376328 
5.312065 
1 1 1 -14 11  16 o 107.6550 2.172145  2475.857       94.31355 2311.624       
153.9865 2574.452       119.3108 104.7013 3.503093 110.6087 2.569281 -5.907364 
4.344291 
1 1 1 -14 11  17 o 103.6268 2.493388  2275.134       107.6321 2187.034       
160.8353 2346.589       144.8467 101.7646 3.764485 105.4890 3.270563 -3.724365 
4.986775 
1 1 1 -14 11  18 o 66.43330 2.879213  955.1165       78.47215 779.5779       
116.2661 1101.985       106.3486 60.63038 4.567556 72.23624 3.506694 -11.60586 
5.758426 
1 1 1 -14 11  19 o 85.99706 2.150727  1572.199       77.00997 1439.477       
113.2897 1686.207       104.9993 82.56353 3.268311 89.43059 2.796542 -6.867058 
4.301454 
1 1 1 -14 11  20 o 84.39149 2.548824  1528.387       88.10178 1400.883       
137.4442 1617.314       114.7845 81.27659 4.027932 87.50639 3.124385 -6.229797 
5.097648 
1 1 1 -14 11  21 o 76.33430 2.845870  1236.725       91.04563 1252.687       
133.0923 1222.686       124.8212 76.77344 4.129173 75.89517 3.917377 0.8782654 
5.691741 
1 1 1 -14 11  22 o 19.82055 5.713126  20.07258       75.92945 97.65021       
120.8541 -30.51955      97.59663 23.58042 8.914526 16.06068 7.147759 7.519737 
11.42625 
1 1 1 -14 11  23 o 23.67078 5.983648  112.7769       75.06569 113.9882       
113.1507 111.8248       100.3213 23.99534 8.699312 23.34621 8.218160 0.6491375 
11.96730 
1 1 1 -14 11  24 o 85.39140 2.998744  1514.735       102.6168 1728.689       
177.9589 1408.156       125.6013 89.54274 4.733806 81.24007 3.682519 8.302666 
5.997488 
1 1 1 -14 11  25 o 36.20236 5.267748  274.1284       77.25049 441.3094       
131.4439 185.9154       95.48015 44.30928 7.065887 28.09543 7.814724 16.21385 
10.53550 
1 1 1 -14 11  26 o 34.89467 5.290937  248.0887       77.04787 470.8509       
132.3873 133.9906       94.74686 45.59699 6.915620 24.19234 8.009387 21.40465 
10.58187 
1 1 1 -14 11  27 o 50.65842 3.850048  552.4490       80.31515 730.2470       
124.9720 427.3449       104.8299 57.53266 5.173918 43.78418 5.702811 13.74848 
7.700096 
1 1 1 -14 11  28 o 42.15321 4.411881  412.7240       74.90820 343.8690       
107.6633 477.3313       104.2896 38.05349 7.001104 46.25293 5.370599 -8.199436 
8.823763 
1 1 1 -14 11  29 o 25.35104 5.893245  158.2014       72.48971 136.8967       
98.11272 183.8115       107.5707 23.80066 8.150412 26.90143 8.514232 -3.100773 
11.78649 
1 1 1 -14 11  30 o 18.95385 5.515413  52.35078       70.87089 25.41044       
95.82840 84.87476       105.2918 17.27958 7.400074 20.62812 8.180345 -3.348543 
11.03083 
1 1 1 -14 11  31 o 35.83133 5.545913  360.8720       82.10406 237.3858       
132.3653 438.0954       104.6742 28.52711 9.466817 43.13556 5.779965 -14.60845 
11.09183 
1 1 1 -14 11  32 o 27.57922 9.662771  237.8348       138.5502 0.000000       
0.000000 237.8348       138.5502 ?        ?        27.57922 9.662771 ? ? 
1 1 1 -14 12  1  o 209.7756 5.962239  9360.321       504.7476 9626.590       
843.1728 9211.610       630.1260 211.5499 9.493469 208.0014 7.215763 3.548462 
11.92448 
1 1 1 -14 12  2  o 110.2849 3.564513  2597.865       162.3382 2402.425       
247.6834 2745.052       214.9438 106.5314 5.537841 114.0384 4.489468 -7.507011 
7.129026 
1 1 1 -14 12  3  o 22.49420 6.262246  49.94158       84.37946 114.1438       
142.6107 15.35878       104.6664 26.10346 9.724018 18.88494 7.893437 7.218525 
12.52449 
1 1 1 -14 12  4  o 112.6089 4.052554  2632.844       151.1573 2773.571       
347.9739 2600.113       167.8177 114.1215 7.262733 111.0964 3.597981 3.025169 
8.105107 
1 1 1 -14 12  5  o 26.49073 6.070376  151.4774       77.15691 70.86491       
143.6053 184.1921       91.48306 24.11946 9.557043 28.86200 7.487377 -4.742542 
12.14075 
1 1 1 -14 12  6  o 211.5872 5.626285  9745.284       368.4792 9280.924       
899.0962 9839.023       403.9631 207.2630 10.33250 215.9113 4.456433 -8.648239 
11.25257 
1 1 1 -14 12  7  o 164.6152 3.902289  5567.030       163.8187 5951.589       
517.9249 5524.280       172.6843 167.1487 7.380483 162.0817 2.537699 5.067062 
7.804578 
1 1 1 -14 12  8  o 40.77789 4.330264  351.3189       60.12415 370.7124       
127.4063 345.7626       68.19522 41.05875 7.675720 40.49702 4.010993 0.5617256 
8.660527 
1 1 1 -14 12  9  o 156.9558 3.358581  4945.916       144.7388 5551.329       
425.8396 4866.840       153.9012 161.7659 6.270184 152.1458 2.409369 9.620102 
6.717162 
1 1 1 -14 12  10 o 43.76261 3.832865  409.8626       67.03698 389.5822       
112.2087 421.1188       83.59556 42.85531 6.236531 44.66990 4.457478 -1.814590 
7.665730 
1 1 1 -14 12  11 o 89.47137 2.147637  1636.477       76.15903 1829.101       
134.8448 1546.252       92.28773 93.19443 3.446397 85.74833 2.563536 7.446098 
4.295273 
1 1 1 -14 12  12 o 294.1186 3.556259  17773.00       335.1440 19098.26       
809.4984 17498.85       368.1807 299.8898 6.429472 288.3473 3.041348 11.54251 
7.112518 
1 1 1 -14 12  13 o 60.71435 2.832680  776.2681       71.61156 786.8355       
108.7848 768.1870       95.13101 61.06089 4.243520 60.36780 3.753512 0.6930962 
5.665361 
1 1 1 -14 12  14 o 92.69649 2.505270  1834.443       95.57447 1677.290       
146.9215 1949.732       125.8396 89.16798 3.924618 96.22499 3.114947 -7.057014 
5.010541 
1 1 1 -14 12  15 o 147.1057 2.421190  4568.443       140.0042 4543.302       
245.3567 4580.582       170.4837 146.6950 3.983856 147.5163 2.752733 
-0.8213043     4.842381 
1 1 1 -14 12  16 o 181.0893 3.130741  6951.451       230.2011 6891.962       
375.9168 6987.145       291.1839 180.2808 4.966648 181.8979 3.812948 -1.617065 
6.261483 
1 1 1 -14 12  17 o 86.70752 2.183019  1595.443       78.51936 1512.982       
118.8852 1659.245       104.5729 84.67389 3.344254 88.74116 2.806823 -4.067268 
4.366038 
1 1 1 -14 12  18 o 121.0077 2.612888  3105.722       130.6876 3040.374       
202.3004 3152.525       171.2071 119.8311 4.021132 122.1842 3.337549 -2.353142 
5.225776 
1 1 1 -14 12  19 o 19.67702 5.118590  68.34835       55.70454 49.37386       
86.59332 81.74364       72.75710 19.03333 7.457355 20.32072 7.013395 -1.287395 
10.23718 
1 1 1 -14 12  20 o 52.68838 3.711605  598.6556       80.04565 569.5843       
126.4539 618.0925       103.3982 51.49500 5.849088 53.88176 4.570800 -2.386757 
7.423210 
1 1 1 -14 12  21 o 81.60591 3.154001  1443.155       106.0614 1258.140       
159.2788 1590.544       142.1631 76.68449 4.947339 86.52734 3.913403 -9.842857 
6.308002 
1 1 1 -14 12  22 o 84.73111 3.011457  1558.257       104.6627 1387.564       
160.8251 1683.661       137.8481 80.46304 4.760784 88.99917 3.689232 -8.536125 
6.022914 
1 1 1 -14 12  23 o 129.0233 3.712788  3620.007       194.6316 3513.848       
314.9285 3685.611       247.5714 126.9829 5.907280 131.0636 4.499245 -4.080620 
7.425575 
1 1 1 -14 12  24 o 37.59035 5.024040  311.0574       76.72989 433.5794       
118.8108 223.3934       100.4985 44.30659 6.387171 30.87411 7.756802 13.43248 
10.04808 
1 1 1 -14 12  25 o 28.54200 5.560955  187.0754       66.94753 220.5737       
110.4754 167.6346       84.16113 30.33238 8.395762 26.75161 7.294385 3.580774 
11.12191 
1 1 1 -14 12  26 o 15.43399 5.031787  -57.78517      73.57814 -80.56138      
122.5543 -44.94873      92.00475 16.16133 7.506653 14.70666 6.702662 1.454669 
10.06357 
1 1 1 -14 12  27 o 94.39510 3.101201  1793.694       116.7297 2443.485       
209.0851 1499.453       140.6980 105.5959 4.716255 83.19433 4.028240 22.40153 
6.202401 
1 1 1 -14 12  28 o 42.62989 4.572882  417.4236       81.80064 417.1527       
117.4836 417.6786       113.9638 42.55415 6.575920 42.70562 6.356278 
-0.1514740     9.145763 
1 1 1 -14 12  29 o 25.51377 6.057879  163.1048       77.80758 127.8745       
112.6821 195.2104       107.5690 23.42764 8.660269 27.59991 8.472979 -4.172266 
12.11576 
1 1 1 -14 12  30 o 37.84848 5.234239  356.9068       81.22897 309.8886       
116.8729 400.8420       112.9764 34.56532 8.172326 41.13164 6.542334 -6.566319 
10.46848 
1 1 1 -14 12  31 o 46.77168 4.134181  518.6105       80.75900 518.5679       
120.0721 518.6456       109.1312 46.48168 6.152919 47.06167 5.523351 
-0.5799904     8.268363 
1 1 1 -14 12  32 o 22.35463 5.823707  132.5340       76.06659 69.13592       
113.8324 183.6837       102.2467 19.26580 8.150707 25.44347 8.320349 -6.177670 
11.64741 
1 1 1 -14 13  1  o 104.6241 3.499910  2318.679       150.2603 2285.479       
238.2945 2340.593       193.6005 103.9262 5.461476 105.3220 4.378328 -1.395821 
6.999820 
1 1 1 -14 13  2  o 87.57975 3.444813  1640.828       123.8950 1511.797       
192.1749 1732.604       162.0736 84.53062 5.415064 90.62888 4.259580 -6.098267 
6.889625 
1 1 1 -14 13  3  o 127.3119 3.944001  3476.065       179.2105 3344.239       
364.0970 3518.212       205.8757 125.4139 6.915007 129.2099 3.795162 -3.796051 
7.888002 
1 1 1 -14 13  4  o 82.17782 3.734869  1423.043       117.7402 1441.174       
216.5600 1415.435       140.2854 82.42432 6.258122 81.93132 4.078343 0.4929962 
7.469738 
1 1 1 -14 13  5  o 81.12122 3.647653  1304.649       99.68697 1540.226       
230.5042 1250.452       110.5610 85.18278 6.445375 77.05965 3.417402 8.123123 
7.295307 
1 1 1 -14 13  6  o 211.9967 5.937039  9555.749       393.5233 9699.093       
963.5477 9527.052       431.1175 211.6245 10.84497 212.3689 4.835326 
-0.7444611     11.87408 
1 1 1 -14 13  7  o 47.83810 5.051719  561.7927       76.00616 389.5291       
159.9901 612.0026       86.37563 41.78734 9.354350 53.88887 3.817800 -12.10153 
10.10344 
1 1 1 -14 13  8  o 135.9141 4.168304  3878.049       179.2364 3969.933       
434.4754 3859.204       196.7594 136.4593 7.583735 135.3689 3.462084 1.090363 
8.336609 
1 1 1 -14 13  9  o 101.1454 3.460919  1953.979       107.8910 2481.167       
284.2821 1865.267       116.6158 108.1389 6.261647 94.15179 2.950189 13.98713 
6.921837 
1 1 1 -14 13  10 o 84.29029 2.422686  1482.748       83.26167 1552.394       
136.3520 1441.337       105.1403 85.82396 3.784199 82.75662 3.026130 3.067337 
4.845371 
1 1 1 -14 13  11 o 56.62232 2.861177  642.7063       66.21085 838.3074       
109.9843 531.5267       82.91966 63.03708 4.155810 50.20756 3.933775 12.82951 
5.722354 
1 1 1 -14 13  12 o 84.80922 2.494246  1443.805       85.08180 1765.718       
147.9299 1284.679       104.0058 91.50796 3.850509 78.11047 3.171535 13.39748 
4.988492 
1 1 1 -14 13  13 o 59.85379 3.029496  739.5350       74.31281 833.3064       
121.5840 683.6140       93.89191 62.78570 4.612503 56.92187 3.928892 5.863831 
6.058991 
1 1 1 -14 13  14 o 71.65598 2.771594  1094.943       80.65364 1038.651       
130.0973 1130.085       102.7903 70.09008 4.421125 73.22188 3.343739 -3.131798 
5.543189 
1 1 1 -14 13  15 f 83.03224 2.342609  1462.580       80.49998 1397.848       
123.2323 1510.763       106.3193 81.38540 3.606609 84.67908 2.990591 -3.293686 
4.685218 
1 1 1 -14 13  16 o 105.8565 2.364481  2381.613       103.2446 2266.302       
159.5965 2464.598       135.3910 103.5812 3.669977 108.1319 2.982339 -4.550705 
4.728962 
1 1 1 -14 13  17 o 64.45105 2.813899  867.1030       74.74216 940.7968       
119.4890 819.7352       95.79724 66.62951 4.271518 62.27259 3.664183 4.356922 
5.627797 
1 1 1 -14 13  18 o 102.7133 2.661180  2222.011       111.2790 2276.693       
181.9996 2189.363       140.6276 103.6193 4.183608 101.8073 3.290126 1.811935 
5.322359 
1 1 1 -14 13  19 o 20.66570 5.156420  72.93952       62.25386 -20.37282      
98.64900 134.6934       80.25190 16.65124 7.320523 24.68016 7.263925 -8.028919 
10.31284 
1 1 1 -14 13  20 o 55.29766 4.334040  654.1669       100.1967 732.1394       
149.7762 591.0052       134.8027 58.25661 6.123765 52.33871 6.134747 5.917900 
8.668080 
1 1 1 -14 13  21 o 105.8399 3.250571  2349.003       141.8548 2628.925       
227.4177 2170.727       181.4898 110.7801 4.889717 100.8997 4.284335 9.880348 
6.501143 
1 1 1 -14 13  22 o 76.10559 3.105897  1243.182       97.38754 1218.511       
152.2578 1260.263       126.6930 75.31911 4.814991 76.89207 3.924571 -1.572960 
6.211795 
1 1 1 -14 13  23 o 55.38683 4.037025  697.7353       89.35883 531.4474       
137.5422 819.1866       117.5457 49.04624 6.679612 61.72742 4.535755 -12.68118 
8.074050 
1 1 1 -14 13  24 o 113.9868 3.490232  2784.891       160.4635 2938.107       
269.7264 2700.960       199.6333 115.9071 5.542867 112.0665 4.243053 3.840660 
6.980464 
1 1 1 -14 13  25 o 40.97977 5.048723  395.0062       79.84767 354.6882       
133.3112 417.5621       99.71221 38.36604 8.501544 43.59350 5.448133 -5.227459 
10.09745 
1 1 1 -14 13  26 o 82.92487 3.051404  1457.825       100.2768 1596.682       
176.4387 1391.573       121.8733 85.36862 4.922850 80.48111 3.606912 4.887512 
6.102808 
1 1 1 -14 13  27 o 17.88474 5.426726  21.51089       70.54640 -21.16622      
127.7857 40.22020       84.60840 18.10182 8.113998 17.66765 7.208359 0.4341698 
10.85345 
1 1 1 -14 13  28 o 41.04774 4.677875  402.2362       76.14249 341.9565       
116.0753 447.7668       100.8800 37.39571 7.657269 44.69977 5.375526 -7.304062 
9.355749 
1 1 1 -14 13  29 o 36.08605 4.990172  305.2184       73.67068 398.8272       
113.9531 237.9977       96.56487 41.27897 6.575341 30.89313 7.508139 10.38584 
9.980344 
1 1 1 -14 13  30 o 24.95838 6.061228  156.7721       79.85404 224.4606       
115.2010 94.16848       110.7895 28.79894 8.753850 21.11782 8.385942 7.681126 
12.12246 
1 1 1 -14 13  31 o 22.53445 5.907706  118.0521       78.13723 209.8189       
117.7536 45.85617       104.4450 26.96727 8.929024 18.10163 7.737992 8.865644 
11.81541 
1 1 1 -14 14  1  o 29.03381 6.728102  173.8831       93.23431 181.8338       
147.4981 168.5924       120.3206 29.82057 9.993325 28.24705 9.011264 1.573515 
13.45620 
1 1 1 -14 14  2  o 53.97026 4.466290  633.2729       96.62788 563.2393       
157.4398 675.5955       122.3905 51.41903 7.293092 56.52148 5.157692 -5.102448 
8.932580 
1 1 1 -14 14  3  o 105.7418 3.738688  2414.779       156.7429 2208.054       
263.7979 2527.590       194.8730 102.0254 6.158631 109.4583 4.240570 -7.432907 
7.477377 
1 1 1 -14 14  4  o 82.88853 3.566126  1408.043       112.0151 1555.862       
214.6801 1352.744       131.3064 85.67031 5.968739 80.10676 3.904251 5.563553 
7.132252 
1 1 1 -14 14  5  o 175.0125 3.937308  6132.508       206.1625 7001.947       
549.7592 5990.231       222.3921 181.3292 7.221474 168.6959 3.140045 12.63329 
7.874616 
1 1 1 -14 14  6  o 100.2169 2.969301  1928.551       98.94064 2441.186       
236.4471 1819.736       108.9365 107.4283 5.242476 93.00559 2.789880 14.42271 
5.938601 
1 1 1 -14 14  7  f 109.0828 3.194032  2634.957       114.5027 2315.322       
254.3163 2716.226       128.2355 104.5293 5.795049 113.6364 2.687894 -9.107025 
6.388064 
1 1 1 -14 14  8  o 43.24118 5.240895  414.5988       76.46846 390.4161       
161.0112 421.6420       86.89346 41.80192 9.402676 44.68044 4.632236 -2.878517 
10.48179 
1 1 1 -14 14  9  o 166.2863 5.111438  5587.021       239.7024 6321.529       
683.0203 5483.851       255.9839 171.2818 9.498245 161.2907 3.780283 9.991104 
10.22288 
1 1 1 -14 14  10 o 307.0473 5.355843  19601.52       568.9373 21101.95       
1239.790 19201.26       640.3427 312.8302 9.439749 301.2645 5.062740 11.56570 
10.71169 
1 1 1 -14 14  11 o 101.8262 2.358219  2155.236       95.79015 2276.956       
165.3710 2093.775       117.5117 103.9078 3.790811 99.74461 2.806162 4.163208 
4.716438 
1 1 1 -14 14  12 o 55.31848 3.207068  642.0920       72.21131 666.8254       
118.5377 627.4970       91.05766 56.11354 5.031642 54.52343 3.977905 1.590115 
6.414137 
1 1 1 -14 14  13 o 38.29839 5.120112  379.6513       68.16737 208.6429       
131.8705 442.0100       79.63201 30.86008 9.362894 45.73670 4.147095 -14.87662 
10.24022 
1 1 1 -14 14  14 o 148.3587 2.115378  4636.091       126.1808 4643.942       
211.4787 4631.751       157.2357 148.3757 3.394882 148.3418 2.524693 
0.3396606E-01  4.230757 
1 1 1 -14 14  15 o 112.3944 2.676209  2673.646       124.5223 2645.084       
192.2788 2694.279       163.4217 111.8123 4.096028 112.9766 3.445421 -1.164337 
5.352417 
1 1 1 -14 14  16 o 75.57770 2.382309  1198.393       74.36250 1248.344       
117.1626 1164.697       96.22940 76.85213 3.631234 74.30328 3.084757 2.548851 
4.764618 
1 1 1 -14 14  17 o 86.26028 2.609781  1502.059       90.24076 1815.976       
157.9264 1349.871       109.9606 92.57488 4.063335 79.94569 3.276144 12.62919 
5.219561 
1 1 1 -14 14  18 o 70.93965 2.392742  1058.163       69.12453 1088.125       
113.0680 1040.282       87.34932 71.67763 3.757311 70.20168 2.963692 1.475945 
4.785484 
1 1 1 -14 14  19 o 68.89458 3.528033  1018.133       100.5370 988.7530       
154.8073 1039.563       132.2126 67.92108 5.428850 69.86808 4.507288 -1.946999 
7.056065 
1 1 1 -14 14  20 f 99.34975 3.310379  2121.733       136.8513 1994.885       
203.8242 2225.855       184.6651 96.49447 5.031234 102.2050 4.303616 -5.710564 
6.620757 
1 1 1 -14 14  21 o 159.0438 3.291613  5373.857       208.8709 5562.490       
358.2415 5276.708       257.0910 160.6603 5.311148 157.4273 3.889804 3.232941 
6.583226 
1 1 1 -14 14  22 o 156.3951 3.247366  5245.514       209.4561 5294.563       
328.9009 5212.050       271.6684 156.6815 4.999980 156.1085 4.145087 0.5730133 
6.494732 
1 1 1 -14 14  23 o 57.48714 3.705607  714.1158       88.45834 742.8434       
136.5428 693.3385       116.1216 58.35167 5.573609 56.62262 4.884769 1.729046 
7.411214 
1 1 1 -14 14  24 o 25.45497 5.782898  101.7823       79.01329 279.9850       
128.0653 -7.745015      100.4004 33.98867 8.878180 16.92128 7.412529 17.06739 
11.56580 
1 1 1 -14 14  25 o 33.00254 5.449233  287.5200       78.86365 124.9802       
131.6444 378.5049       98.49340 24.63624 9.306827 41.36885 5.670937 -16.73261 
10.89847 
1 1 1 -14 14  26 o 21.46994 5.338004  72.28655       76.15194 -127.3233      
126.2912 186.3281       95.45829 15.20026 7.240116 27.73963 7.845883 -12.53937 
10.67601 
1 1 1 -14 14  27 o 58.92170 3.909563  736.6686       92.12407 913.0672       
162.3385 652.8787       111.8844 63.46334 6.092840 54.38007 4.900617 9.083275 
7.819127 
1 1 1 -14 14  28 o 49.14625 4.128066  549.0184       85.15942 563.6062       
121.5638 534.9609       119.3343 49.80257 5.813981 48.48992 5.861853 1.312653 
8.256131 
1 1 1 -14 14  29 o 67.95673 3.499046  1044.672       98.74365 923.8460       
144.0116 1151.879       135.6522 63.82467 5.374400 72.08878 4.482088 -8.264107 
6.998092 
1 1 1 -14 14  30 o 27.17973 5.719460  180.8405       81.39538 330.8376       
118.6976 47.69803       111.8300 35.47248 8.138614 18.88699 8.038151 16.58549 
11.43892 
1 1 1 -14 14  31 o 28.86400 5.772696  231.9709       71.86979 228.9620       
119.3984 233.6806       90.00070 27.92751 8.983476 29.80049 7.252119 -1.872980 
11.54539 
1 1 1 -14 15  1  o 130.5007 3.803001  3614.771       207.5561 3528.414       
305.1681 3689.103       283.1268 128.9888 5.635184 132.0126 5.108420 -3.023804 
7.606001 
1 1 1 -14 15  2  o 92.25175 3.617201  1771.314       131.2541 1886.232       
233.4283 1718.183       158.7224 94.28012 5.897317 90.22338 4.190251 4.056740 
7.234401 
1 1 1 -14 15  3  o 21.08650 6.167774  32.72503       86.27481 -1.729359      
148.5360 50.26693       105.9859 21.51284 9.213038 20.66016 8.202783 0.8526802 
12.33555 
1 1 1 -14 15  4  o 35.17550 6.100884  252.0982       84.58300 354.2504       
153.3848 207.4611       101.3926 39.78056 9.334606 30.57044 7.858007 9.210114 
12.20177 
1 1 1 -14 15  5  o 166.8976 3.613042  5633.552       182.2850 6278.645       
477.3731 5523.435       197.2303 171.7933 6.618701 162.0019 2.899844 9.791443 
7.226085 
1 1 1 -14 15  6  o 119.2130 4.107490  2829.579       150.1928 3294.188       
390.1005 2748.723       162.7379 124.1991 7.481336 114.2268 3.393452 9.972275 
8.214980 
1 1 1 -14 15  7  o 168.1886 4.993700  5996.335       247.7944 6079.650       
651.5563 5982.247       267.9268 167.9432 9.240822 168.4341 3.788849 
-0.4908600     9.987400 
1 1 1 -14 15  8  o 60.48014 4.026849  824.3169       82.63667 693.0924       
173.5245 862.8063       93.97754 56.97628 7.254171 63.98400 3.498434 -7.007721 
8.053698 
1 1 1 -14 15  9  o 225.3121 4.738573  10915.76       272.4085 10692.23       
840.1068 10942.02       287.9674 222.6637 8.986820 227.9605 3.008880 -5.296722 
9.477146 
1 1 1 -14 15  10 o 170.7072 3.588363  6112.097       237.4358 6334.687       
431.1568 6015.212       284.4541 172.6232 5.949180 168.7912 4.014056 3.832001 
7.176725 
1 1 1 -14 15  11 f 65.66228 2.859276  895.2418       76.23778 970.6130       
127.0467 852.8286       95.30409 67.74024 4.467224 63.58431 3.570119 4.155933 
5.718552 
1 1 1 -14 15  12 o 121.0448 2.583625  3092.700       124.3315 3092.208       
213.3108 3092.953       153.0104 120.9308 4.201428 121.1587 3.008067 
-0.2278519     5.167249 
1 1 1 -14 15  13 o 85.38693 2.570319  1535.676       90.01098 1557.588       
144.0114 1521.628       115.3095 85.83315 3.996343 84.94070 3.233481 0.8924484 
5.140638 
1 1 1 -14 15  14 o 98.47850 2.431282  2044.323       98.31978 2062.961       
156.5470 2032.184       126.3473 98.79061 3.774420 98.16638 3.065662 0.6242294 
4.862564 
1 1 1 -14 15  15 o 33.30988 4.830182  240.7861       64.55798 288.7472       
101.6153 208.3257       83.59715 36.05812 6.960822 30.56163 6.698477 5.496490 
9.660364 
1 1 1 -14 15  16 o 93.30042 2.678507  1839.131       102.7137 1858.852       
163.1569 1826.184       132.1981 93.63711 4.150290 92.96371 3.387137 0.6733932 
5.357015 
1 1 1 -14 15  17 o 68.96973 2.340599  1005.698       67.39682 1003.203       
100.6869 1007.723       90.71771 68.86684 3.482442 69.07262 3.128292 
-0.2057724     4.681198 
1 1 1 -14 15  18 o 86.39622 3.483305  1589.914       125.9544 1423.126       
173.9649 1773.674       182.6017 81.59965 5.078020 91.19279 4.769419 -9.593147 
6.966609 
1 1 1 -14 15  19 o 66.43743 3.761235  943.0068       104.6664 1019.520       
154.3761 877.9130       142.3906 68.91553 5.335611 63.95934 5.302716 4.956188 
7.522469 
1 1 1 -14 15  20 o 31.44923 6.398567  224.4041       92.10070 307.3377       
133.4306 148.9321       127.2866 36.31383 8.825827 26.58463 9.266683 9.729198 
12.79713 
1 1 1 -14 15  21 o 119.8167 3.032894  3078.201       151.9149 2990.950       
223.4906 3153.140       207.1221 118.1173 4.506785 121.5161 4.059884 -3.398849 
6.065787 
1 1 1 -14 15  22 o 64.13976 3.213576  873.6342       84.23498 934.3137       
137.5623 837.2325       106.5464 65.74128 4.984049 62.53825 4.058021 3.203030 
6.427152 
1 1 1 -14 15  23 o 43.36639 4.911139  439.0653       84.10223 348.6183       
126.7977 510.1132       112.3802 38.44707 8.108367 48.28571 5.543603 -9.838634 
9.822278 
1 1 1 -14 15  24 o 35.68474 5.340926  282.5522       75.22025 376.4043       
127.3979 232.3236       93.19995 39.91177 7.883543 31.45771 7.207752 8.454063 
10.68185 
1 1 1 -14 15  25 o 51.05145 4.015997  569.7064       83.50021 615.0466       
137.6398 543.3020       105.0365 52.33438 6.264380 49.76852 5.026975 2.565868 
8.031995 
1 1 1 -14 15  26 o 28.52960 6.102270  186.5256       78.11851 274.8591       
129.8147 136.3779       97.81074 32.92665 9.095387 24.13255 8.137859 8.794109 
12.20454 
1 1 1 -14 15  27 o 54.48685 3.933043  670.7174       86.26604 651.1463       
142.0716 682.1472       108.5724 53.31387 6.347287 55.65983 4.646210 -2.345959 
7.866086 
1 1 1 -14 15  28 o 20.38467 5.495828  73.76621       67.90362 21.53081       
91.86845 136.6698       100.8142 17.00417 7.262639 23.76518 8.250490 -6.761013 
10.99166 
1 1 1 -14 15  29 o 20.24223 5.320443  22.45252       76.92130 -148.0707      
107.6488 200.3577       109.9541 12.93569 6.282048 27.54878 8.588616 -14.61308 
10.64089 
1 1 1 -14 15  30 o 50.34956 4.255479  602.9838       89.73785 574.5541       
128.8117 629.7933       125.0872 48.94638 6.268385 51.75274 5.757061 -2.806358 
8.510958 
1 1 1 -14 15  31 o 38.03109 5.576877  386.0186       86.10915 465.8178       
128.4919 320.9642       116.0151 42.03119 7.556514 34.03099 8.203983 8.000202 
11.15375 
1 1 1 -14 16  1  o 19.74429 5.846160  -0.3445847     87.49853 -136.1116      
144.9721 77.45190       109.7405 17.21068 8.056782 22.27790 8.473407 -5.067223 
11.69232 
1 1 1 -14 16  2  o 47.54856 5.410333  534.5687       95.08646 382.2585       
160.6782 616.6561       117.9589 41.18122 9.483172 53.91590 5.211167 -12.73468 
10.82067 
1 1 1 -14 16  3  o 106.5016 4.222447  2477.823       176.6956 2219.128       
300.6013 2614.393       218.4121 101.8657 7.028842 111.1375 4.680985 -9.271751 
8.444895 
1 1 1 -14 16  4  o 96.73805 3.535253  1982.111       124.7282 1984.345       
247.9442 1981.354       144.3183 96.55136 6.116693 96.92475 3.546563 
-0.3733902     7.070505 
1 1 1 -14 16  5  o 129.9000 3.650097  3415.726       152.7322 3835.718       
370.0212 3329.474       167.6833 134.0972 6.572462 125.7029 3.177356 8.394295 
7.300195 
1 1 1 -14 16  6  o 33.55958 6.077050  261.4088       79.73291 209.0588       
157.6414 279.4047       92.42695 31.43775 10.33123 35.68142 6.402174 -4.243673 
12.15410 
1 1 1 -14 16  7  f 68.81351 3.682791  842.7689       84.82043 1293.169       
208.1973 753.1350       92.87776 77.88573 6.367049 59.74129 3.703038 18.14444 
7.365582 
1 1 1 -14 16  8  f 33.24502 5.970139  249.7451       74.81284 226.0247       
155.0285 256.9460       85.41695 32.26970 10.22207 34.22034 6.170865 -1.950638 
11.94028 
1 1 1 -14 16  9  o 72.80709 3.315897  1064.799       87.47567 1239.445       
181.9042 1012.263       99.76904 76.33879 5.675687 69.27539 3.430346 7.063400 
6.631794 
1 1 1 -14 16  10 o 145.7770 2.886145  4372.377       159.3738 4773.485       
304.8281 4221.486       186.9628 150.0443 4.839010 141.5097 3.146952 8.534592 
5.772289 
1 1 1 -14 16  11 o 75.69807 2.628665  1208.524       80.67760 1217.847       
132.7805 1203.067       101.5781 75.86819 4.168651 75.52795 3.203417 0.3402328 
5.257331 
1 1 1 -14 16  12 o 87.44876 2.703304  1644.339       96.76936 1474.735       
150.1295 1764.891       126.5714 83.44587 4.285312 91.45165 3.296592 -8.005783 
5.406609 
1 1 1 -14 16  13 o 81.64678 2.545943  1400.048       85.59914 1452.860       
136.0257 1365.422       110.1416 82.86469 3.909961 80.42887 3.261825 2.435822 
5.091886 
1 1 1 -14 16  14 o 76.00170 2.794038  1210.886       86.64700 1274.062       
141.7238 1173.176       109.4943 77.49863 4.355820 74.50477 3.500489 2.993866 
5.588076 
1 1 1 -14 16  15 o 29.18498 4.857072  186.6661       57.66459 215.2332       
91.89081 168.1085       74.06292 30.95244 7.200500 27.41752 6.520536 3.534927 
9.714145 
1 1 1 -14 16  16 o 44.14128 3.717818  415.0826       67.54075 422.7384       
107.0000 410.0118       87.08170 44.40413 5.739597 43.87843 4.727123 0.5257034 
7.435635 
1 1 1 -14 16  17 f 46.84977 5.123414  518.1298       91.44690 328.1587       
137.5430 668.6326       122.4242 37.80169 8.819516 55.89785 5.216667 -18.09616 
10.24683 
1 1 1 -14 16  18 o 119.5320 3.636203  3058.690       181.5927 3099.118       
271.1730 3025.821       244.5130 120.1326 5.376586 118.9314 4.896960 1.201187 
7.272407 
1 1 1 -14 16  19 o 24.04186 6.298542  95.72808       89.73597 12.69863       
129.9429 171.4246       124.0722 20.24475 8.641812 27.83897 9.165458 -7.594221 
12.59708 
1 1 1 -14 16  20 o 61.41942 3.664231  812.3877       93.80878 688.8116       
129.6053 948.3660       135.9535 56.42636 5.470939 66.41247 4.875980 -9.986103 
7.328462 
1 1 1 -14 16  21 o 24.77964 6.243686  120.6212       83.29964 178.3677       
123.7434 72.76928       112.6442 27.95859 9.153306 21.60069 8.494201 6.357903 
12.48737 
1 1 1 -14 16  22 o 24.73883 5.919023  96.41213       80.20316 245.8634       
127.8752 -0.5029858     102.9752 31.99417 9.091059 17.48350 7.582346 14.51067 
11.83805 
1 1 1 -14 16  23 f 32.73169 5.509526  267.5568       81.39080 120.4564       
125.2553 375.0606       107.0782 24.36232 9.105635 41.10105 6.205394 -16.73872 
11.01905 
1 1 1 -14 16  24 f 32.05810 5.944415  254.0294       80.64486 222.7538       
128.2370 274.4902       103.7223 30.08449 9.254381 34.03170 7.463289 -3.947206 
11.88883 
1 1 1 -14 16  25 o 51.89049 3.985097  607.0472       83.97343 564.3501       
133.8920 634.7314       107.8130 49.94697 6.385082 53.83401 4.770190 -3.887039 
7.970193 
1 1 1 -14 16  26 o 36.16230 4.756896  318.3497       67.11320 256.3448       
108.7036 356.5432       85.31496 32.19712 8.053998 40.12749 5.064123 -7.930374 
9.513791 
1 1 1 -14 16  27 o 36.05175 5.674581  309.8459       81.31686 386.7297       
136.1202 267.1824       101.3988 39.10452 8.527569 32.99898 7.488926 6.105545 
11.34916 
1 1 1 -14 16  28 f 22.83058 6.008911  117.6590       80.27270 58.91566       
120.8166 164.0869       107.4081 20.22004 8.467889 25.44111 8.527771 -5.221069 
12.01782 
1 1 1 -14 16  29 o 36.35522 5.630791  340.6035       83.50166 354.0657       
121.5457 328.5708       114.9117 36.97421 8.053919 35.73624 7.871315 1.237976 
11.26158 
1 1 1 -14 16  30 o 17.72272 5.513186  24.41900       79.71478 44.63277       
114.1414 5.172547       111.3768 18.52176 8.007022 16.92368 7.580796 1.598080 
11.02637 
1 1 1 -14 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 17  2  o 76.96230 3.956960  1233.635       120.9146 1350.020       
212.2052 1177.681       147.1368 79.42078 6.364186 74.50381 4.703962 4.916969 
7.913919 
1 1 1 -14 17  3  o 109.9507 3.696594  2546.208       155.0273 2628.835       
289.0922 2512.855       183.6695 110.9039 6.208841 108.9975 4.013669 1.906387 
7.393189 
1 1 1 -14 17  4  o 89.30444 3.704252  1647.115       117.9243 1788.376       
247.1094 1605.458       134.1899 91.42691 6.437783 87.18198 3.666182 4.244926 
7.408505 
1 1 1 -14 17  5  o 53.61408 4.319061  619.8507       86.32652 600.1617       
164.2593 627.3641       101.4696 52.80652 7.409066 54.42164 4.441047 -1.615116 
8.638122 
1 1 1 -14 17  6  o 106.9832 3.817961  2310.527       131.6725 2634.850       
319.5798 2244.214       144.5083 110.8344 6.867929 103.1320 3.337492 7.702393 
7.635921 
1 1 1 -14 17  7  o 57.06113 4.107088  620.3480       89.90640 886.0492       
175.9476 526.4567       104.5922 64.33368 6.514273 49.78859 5.003691 14.54509 
8.214175 
1 1 1 -14 17  8  o 157.0214 4.569444  5017.088       195.4989 5635.938       
577.9750 4937.137       207.7440 161.0647 8.547318 152.9781 3.234598 8.086594 
9.138887 
1 1 1 -14 17  9  o 21.49641 5.659441  80.06292       68.15661 16.58419       
123.7819 107.6821       81.64846 20.27341 8.534363 22.71940 7.435170 -2.445993 
11.31888 
1 1 1 -14 17  10 o 116.6606 2.556488  2889.293       114.3992 2842.989       
208.9445 2909.116       136.7104 115.8303 4.296649 117.4910 2.771521 -1.660698 
5.112976 
1 1 1 -14 17  11 o 38.38674 4.398762  305.6072       67.91860 402.6523       
110.5414 246.7542       86.08398 43.37088 6.070826 33.40260 6.367221 9.968288 
8.797523 
1 1 1 -14 17  12 o 67.51201 2.821591  976.1915       77.38457 919.8987       
124.4447 1011.683       98.81256 65.82559 4.503007 69.19842 3.401238 -3.372826 
5.643182 
1 1 1 -14 17  13 o 31.71894 5.103475  216.2404       65.29412 278.6502       
106.3071 178.4345       82.73999 35.23726 7.419120 28.20062 7.009883 7.036631 
10.20695 
1 1 1 -14 17  14 o 126.6153 2.828941  3399.002       146.1144 3399.777       
236.3215 3398.522       185.9073 126.4771 4.450534 126.7535 3.493474 
-0.2763748     5.657881 
1 1 1 -14 17  15 o 27.77011 5.370763  173.3426       63.94107 175.0943       
98.15124 172.0511       84.27850 27.90518 7.976056 27.63506 7.194646 0.2701206 
10.74153 
1 1 1 -14 17  16 o 149.8918 3.443192  4808.184       215.2392 4713.105       
321.6344 4885.298       289.6589 148.3871 5.162827 151.3965 4.557137 -3.009460 
6.886384 
1 1 1 -14 17  17 o 53.10785 4.088983  611.3643       89.61488 589.7023       
138.6800 626.8950       117.4247 52.15516 6.333411 54.06054 5.173686 -1.905388 
8.177966 
1 1 1 -14 17  18 o 44.88182 5.196537  450.4435       94.11143 555.9913       
136.1781 353.9447       130.2097 50.52332 6.420021 39.24031 8.173085 11.28301 
10.39307 
1 1 1 -14 17  19 o 68.54314 3.799102  1023.367       108.2676 880.0442       
155.0888 1159.613       151.2118 63.66046 5.802723 73.42583 4.905213 -9.765366 
7.598205 
1 1 1 -14 17  20 o 59.91914 4.062965  784.2375       101.9297 731.2425       
145.6354 835.1246       142.7098 57.83133 5.998255 62.00696 5.481942 -4.175625 
8.125931 
1 1 1 -14 17  21 o 73.31586 3.597622  1167.897       110.4620 1076.726       
156.2928 1258.891       156.1410 70.35557 5.291290 76.27615 4.875838 -5.920586 
7.195245 
1 1 1 -14 17  22 o 86.76193 3.381093  1596.801       120.4772 1805.030       
195.8203 1469.973       152.8245 91.00401 5.125287 82.51986 4.411189 8.484154 
6.762186 
1 1 1 -14 17  23 o 83.23803 2.889988  1501.116       98.77733 1458.474       
155.5082 1529.957       127.8910 81.99725 4.517259 84.47881 3.605897 -2.481567 
5.779976 
1 1 1 -14 17  24 o 112.6830 3.532933  2820.663       162.3838 2624.950       
256.5092 2951.551       209.7687 108.7296 5.619223 116.6364 4.283784 -7.906830 
7.065866 
1 1 1 -14 17  25 o 16.21531 5.088089  -12.67838      68.84319 -70.25889      
117.0773 17.75265       85.11244 15.87259 7.358859 16.55802 7.028641 
-0.6854372     10.17618 
1 1 1 -14 17  26 o 23.57163 5.477871  132.3015       70.23541 26.70910       
114.5563 195.9011       88.90572 18.83740 8.079857 28.30585 7.398932 -9.468452 
10.95574 
1 1 1 -14 17  27 o 16.36585 5.144418  -36.53341      78.34756 -201.4341      
132.8574 51.38803       97.01118 13.97219 6.827643 18.75951 7.696976 -4.787313 
10.28884 
1 1 1 -14 17  28 o 78.10238 3.391753  1365.138       110.9740 1377.574       
162.5766 1354.288       151.8533 78.27996 4.946848 77.92480 4.641621 0.3551636 
6.783506 
1 1 1 -14 17  29 o 46.42836 4.643447  517.0607       90.21624 572.4880       
133.7236 470.7589       122.2210 48.72481 6.537008 44.13190 6.596508 4.592903 
9.286894 
1 1 1 -14 17  30 o 18.72452 5.512567  65.03216       71.72817 59.88948       
100.0830 70.46329       102.8516 18.42028 7.710210 19.02875 7.880752 
-0.6084728     11.02513 
1 1 1 -14 18  1  o 36.39761 6.058828  289.9802       89.75024 367.5346       
144.2478 240.9923       114.6437 40.19948 8.788888 32.59575 8.342243 7.603725 
12.11766 
1 1 1 -14 18  2  o 65.39585 4.293635  934.7631       109.8623 864.9257       
190.0134 969.8329       134.6503 63.25982 7.154467 67.53188 4.749191 -4.272064 
8.587270 
1 1 1 -14 18  3  o 38.55359 10.49488  342.6050       174.3960 342.6050       
174.3960 0.000000       0.000000 38.55359 10.49488 ?        ?        ? ? 
1 1 1 -14 18  4  o 106.8930 4.090955  2459.363       172.9239 2393.639       
297.3444 2492.951       212.5670 105.4670 6.715284 108.3191 4.674250 -2.852127 
8.181911 
1 1 1 -14 18  5  o 96.52677 3.686095  1922.977       131.7005 2119.317       
261.7010 1856.388       152.4060 99.40271 6.270876 93.65083 3.876248 5.751877 
7.372190 
1 1 1 -14 18  6  o 163.0834 4.084988  5412.513       199.8812 6090.415       
527.9848 5299.104       215.9545 167.7454 7.497075 158.4215 3.246902 9.323898 
8.169976 
1 1 1 -14 18  7  o 43.55767 5.145536  400.1297       81.55729 453.3673       
159.6225 381.3216       94.87627 44.82919 8.794656 42.28616 5.344173 2.543037 
10.29107 
1 1 1 -14 18  8  o 59.56363 3.614900  701.6368       79.03628 870.1259       
163.1290 649.9531       90.34883 63.71841 6.097998 55.40885 3.883868 8.309559 
7.229800 
1 1 1 -14 18  9  o 113.9827 2.924829  2712.731       123.4318 2842.658       
242.4828 2667.291       143.4008 115.5411 4.998798 112.4242 3.038174 3.116837 
5.849657 
1 1 1 -14 18  10 o 108.5134 3.266211  2389.669       119.2231 2697.342       
273.1499 2317.259       132.5119 112.2423 5.796497 104.7844 3.012168 7.457840 
6.532422 
1 1 1 -14 18  11 o 59.28901 3.058947  743.0479       74.63828 763.3724       
118.5377 729.6966       96.07539 59.89427 4.714028 58.68375 3.899558 1.210518 
6.117893 
1 1 1 -14 18  12 o 74.78971 2.498767  1156.281       76.53294 1305.252       
125.5155 1068.115       96.55999 78.48715 3.809079 71.09227 3.235161 7.394882 
4.997535 
1 1 1 -14 18  13 o 29.64764 5.245616  183.8639       65.25286 282.5965       
106.2831 124.1328       82.66737 35.42189 7.388814 23.87339 7.447911 11.54849 
10.49123 
1 1 1 -14 18  14 o 44.62538 3.635314  434.2492       66.40404 381.5108       
102.1244 472.8794       87.40363 42.12232 5.774820 47.12844 4.417408 -5.006123 
7.270628 
1 1 1 -14 18  15 o 41.08731 5.520065  382.2248       92.49219 320.6166       
134.1173 438.0994       127.7241 37.29428 8.714097 44.88034 6.778568 -7.586056 
11.04013 
1 1 1 -14 18  16 o 68.02728 3.639309  996.5248       103.2482 965.0500       
153.6824 1022.418       139.3913 66.94782 5.467753 69.10673 4.804369 -2.158905 
7.278619 
1 1 1 -14 18  17 f 89.46264 3.204757  1716.166       120.0277 1658.211       
174.5784 1768.119       165.2917 87.95213 4.727868 90.97314 4.327716 -3.021011 
6.409513 
1 1 1 -14 18  18 f 44.84822 5.366444  468.4191       94.48297 290.1335       
133.1660 649.1522       134.0769 35.05930 9.001691 54.63713 5.845036 -19.57783 
10.73289 
1 1 1 -14 18  19 o 58.86716 4.092928  749.9091       99.62724 587.5140       
134.9485 944.4498       147.7021 51.74767 6.211526 65.98665 5.331527 -14.23898 
8.185856 
1 1 1 -14 18  20 o 54.88703 4.275537  660.8641       98.09377 748.3561       
142.1559 581.3356       135.5321 58.44942 5.793030 51.32464 6.289806 7.124783 
8.551073 
1 1 1 -14 18  21 f 32.46188 5.981831  258.4170       89.31573 123.7704       
131.1683 374.8170       121.9572 24.79164 9.307778 40.13213 7.516280 -15.34048 
11.96366 
1 1 1 -14 18  22 o 23.49664 5.705785  90.35519       84.36053 -87.09463      
128.3811 225.2035       111.9145 16.48484 7.666971 30.50843 8.452307 -14.02359 
11.41157 
1 1 1 -14 18  23 o 51.39894 4.210430  573.2744       88.56106 664.1946       
145.8868 520.2165       111.4450 54.29787 6.399622 48.50002 5.473182 5.797848 
8.420860 
1 1 1 -14 18  24 o 83.10101 3.352764  1511.691       114.7487 1528.422       
180.8220 1500.411       148.4758 83.14120 5.180313 83.06081 4.257753 
0.8038330E-01  6.705528 
1 1 1 -14 18  25 o 63.97532 3.558191  875.1899       92.19348 1029.692       
156.5300 793.1245       114.0803 67.81889 5.497534 60.13175 4.518850 7.687138 
7.116382 
1 1 1 -14 18  26 o 31.20784 5.569901  248.9913       72.44199 213.9115       
117.4321 270.5417       92.04195 28.79268 8.855712 33.62300 6.758073 -4.830318 
11.13980 
1 1 1 -14 18  27 o 30.74843 6.158340  254.2717       83.50547 212.6272       
136.9772 278.9030       105.3450 28.15062 9.630328 33.34625 7.678370 -5.195633 
12.31668 
1 1 1 -14 18  28 o 35.61530 5.709859  336.3131       85.83659 253.0019       
127.9915 404.4112       115.7170 30.17289 9.238193 41.05770 6.713105 -10.88482 
11.41972 
1 1 1 -14 18  29 o 21.90492 5.981617  115.3483       81.23116 58.80648       
117.6084 166.9284       112.3297 19.26001 8.221447 24.54983 8.690614 -5.289825 
11.96323 
1 1 1 -14 18  30 o 26.01736 6.688797  204.6078       93.37862 196.3025       
119.9910 217.3614       148.6920 25.74836 8.995093 26.28636 9.901937 
-0.5380020     13.37759 
1 1 1 -14 19  1  f 72.77179 3.662693  1149.250       109.2491 1048.987       
169.6613 1220.270       142.7926 69.85039 5.785423 75.69320 4.493348 -5.842812 
7.325387 
1 1 1 -14 19  2  o 54.70448 4.655416  638.3638       101.1239 674.5562       
175.8541 620.4831       123.6049 55.59921 7.533642 53.80974 5.471367 1.789467 
9.310833 
1 1 1 -14 19  3  o 36.81684 6.107683  305.3570       90.96862 332.0534       
146.8464 288.7321       115.8820 37.95779 9.279792 35.67590 7.943591 2.281895 
12.21537 
1 1 1 -14 19  4  o 24.75741 8.857183  118.9397       116.9523 0.000000       
0.000000 118.9397       116.9523 ?        ?        24.75741 8.857183 ? ? 
1 1 1 -14 19  5  f 137.3871 5.257471  4085.820       301.1151 3943.588       
399.9475 4271.945       457.5170 134.8749 7.063059 139.8993 7.789557 -5.024353 
10.51494 
1 1 1 -14 19  6  o 40.10513 5.985726  367.8579       98.33311 309.3595       
149.9515 411.9936       130.2487 36.62412 9.625618 43.58614 7.117806 -6.962021 
11.97145 
1 1 1 -14 19  7  o 25.52031 5.987049  62.68575       75.56119 284.2996       
148.9212 -14.14806      87.68684 35.14738 9.754271 15.89325 6.945014 19.25413 
11.97410 
1 1 1 -14 19  8  o 69.05455 3.342299  971.7360       89.88623 1134.686       
165.9453 904.0757       106.9315 72.81200 5.428542 65.29710 3.900611 7.514893 
6.684597 
1 1 1 -14 19  9  o 54.14116 3.927846  691.6628       77.01487 491.1161       
139.2176 780.1000       92.44930 47.59187 6.967588 60.69045 3.628309 -13.09858 
7.855693 
1 1 1 -14 19  10 o 25.07751 5.423573  145.6368       68.14304 22.55979       
123.2277 199.8511       81.78560 20.32628 8.533962 29.82874 6.695676 -9.502460 
10.84715 
1 1 1 -14 19  11 o 71.51479 2.748285  1047.097       80.33047 1253.044       
133.3972 929.9225       100.6203 76.78545 4.137986 66.24414 3.617921 10.54131 
5.496570 
1 1 1 -14 19  12 o 20.88135 5.493770  71.56753       62.76719 101.4519       
103.7555 54.31805       78.82737 23.06636 8.333496 18.69635 7.160928 4.370007 
10.98754 
1 1 1 -14 19  13 o 22.35653 5.761768  85.65224       66.27350 126.3185       
118.7617 67.26157       79.86533 25.11579 8.931420 19.59726 7.281594 5.518524 
11.52354 
1 1 1 -14 19  14 o 45.77368 4.768224  457.1620       91.43105 455.3480       
133.5811 458.7609       125.4113 45.62840 6.973182 45.91897 6.505273 
-0.2905769     9.536448 
1 1 1 -14 19  15 f 52.86603 4.548884  621.8306       98.42861 484.6169       
142.6347 746.5767       136.0003 46.91863 7.241041 58.81343 5.507879 -11.89480 
9.097769 
1 1 1 -14 19  16 o 114.6379 3.593745  2816.532       171.3356 2931.582       
262.9449 2731.639       225.8693 116.4889 5.376523 112.7870 4.770010 3.701866 
7.187490 
1 1 1 -14 19  17 o 58.65871 3.960050  746.1487       97.44528 780.3766       
141.2105 715.0316       134.6410 59.93695 5.611687 57.38047 5.589002 2.556488 
7.920099 
1 1 1 -14 19  18 o 49.47825 4.672873  542.3593       96.61811 484.9249       
136.5867 599.8812       136.6907 46.71223 6.964642 52.24426 6.231912 -5.532032 
9.345746 
1 1 1 -14 19  19 o 105.0815 3.706257  2402.487       163.2589 2400.645       
237.3645 2404.140       224.9049 104.9388 5.387666 105.2243 5.091012 
-0.2854614     7.412513 
1 1 1 -14 19  20 o 46.47427 4.965368  486.4413       96.67591 480.3752       
140.7020 491.8663       133.0588 46.08630 7.271925 46.86224 6.763033 
-0.7759399     9.930736 
1 1 1 -14 19  21 o 23.22662 5.965738  96.25049       84.34567 -18.87541      
126.0095 189.7021       113.5299 18.33834 8.144310 28.11491 8.719539 -9.776567 
11.93148 
1 1 1 -14 19  22 o 19.45037 5.680316  42.93492       75.35726 61.23638       
111.3193 27.45383       102.3831 20.50750 8.303742 18.39323 7.753183 2.114264 
11.36063 
1 1 1 -14 19  23 o 81.99135 3.363896  1452.921       112.9156 1567.804       
183.6899 1383.145       143.1566 84.22480 5.194770 79.75790 4.275224 4.466904 
6.727791 
1 1 1 -14 19  24 o 52.56647 4.236791  631.1936       90.73969 594.0354       
143.8382 655.7566       116.9464 50.75980 6.749562 54.37315 5.122988 -3.613354 
8.473581 
1 1 1 -14 19  25 o 22.36367 6.146348  94.86192       79.09313 142.0241       
136.4187 70.98094       97.07401 24.84748 9.448364 19.87985 7.863766 4.967630 
12.29270 
1 1 1 -14 19  26 o 50.16225 3.909069  587.0474       78.20251 503.8689       
125.9910 639.1774       99.74192 46.50834 6.452524 53.81616 4.414546 -7.307823 
7.818139 
1 1 1 -14 19  27 o 43.04020 5.009449  420.7830       85.76067 586.8198       
145.8149 332.9730       106.0405 49.34571 7.038393 36.73469 7.130171 12.61102 
10.01890 
1 1 1 -14 19  28 o 33.52465 5.590849  286.3065       77.54164 390.0553       
121.3472 214.7063       100.8080 38.80378 7.722674 28.24552 8.086452 10.55827 
11.18170 
1 1 1 -14 19  29 o 35.19818 5.006689  319.8911       71.40198 335.7535       
102.6346 305.0131       99.39847 36.12853 7.016933 34.26784 7.143556 1.860687 
10.01338 
1 1 1 -14 20  1  o 105.5255 3.937207  2461.905       168.1276 2141.495       
265.3375 2676.846       217.3228 99.20248 6.370848 111.8484 4.628033 -12.64597 
7.874413 
1 1 1 -14 20  2  o 97.20589 3.951045  2018.303       151.5741 2092.519       
265.6615 1982.482       184.5629 98.09382 6.450717 96.31797 4.564130 1.775848 
7.902090 
1 1 1 -14 20  3  o 41.79749 5.330321  396.9943       88.01047 362.4284       
141.7320 418.6876       112.2813 39.60711 8.756956 43.98788 6.079887 -4.380772 
10.66064 
1 1 1 -14 20  4  o 106.8364 4.071584  2439.615       176.5079 2542.745       
291.8469 2380.136       221.6378 108.2600 6.421082 105.4128 5.008082 2.847153 
8.143167 
1 1 1 -14 20  5  o 65.36874 4.118652  948.6561       109.3694 768.3890       
166.0916 1086.661       145.3239 59.45795 6.653634 71.27954 4.856164 -11.82159 
8.237304 
1 1 1 -14 20  6  o 44.95266 10.20447  474.7533       188.2263 0.000000       
0.000000 474.7533       188.2263 ?        ?        44.95266 10.20447 ? ? 
1 1 1 -14 20  7  f 33.36987 5.881758  269.3522       90.99276 103.3075       
144.8479 377.5936       116.9489 25.06097 9.680470 41.67877 6.683475 -16.61781 
11.76352 
1 1 1 -14 20  8  o 65.41003 3.198404  914.8185       83.35612 906.5456       
141.8757 919.1796       103.0102 65.01424 5.197814 65.80583 3.728522 
-0.7915955     6.396808 
1 1 1 -14 20  9  o 58.66379 3.642533  729.3442       78.73531 756.6167       
155.1497 719.8845       91.37592 59.09856 6.253097 58.22901 3.737777 0.8695488 
7.285067 
1 1 1 -14 20  10 o 34.92411 5.136177  267.8333       68.65930 299.6306       
123.1920 253.5060       82.69342 36.09076 8.298619 33.75746 6.054268 2.333305 
10.27235 
1 1 1 -14 20  11 o 47.31036 3.954471  462.6222       72.31708 535.0482       
134.9585 433.4502       85.65173 49.58253 6.483251 45.03819 4.529772 4.544342 
7.908943 
1 1 1 -14 20  12 o 46.04035 3.896317  429.3744       71.31503 546.3872       
127.9434 376.6338       85.89614 50.17773 6.073345 41.90297 4.882586 8.274757 
7.792635 
1 1 1 -14 20  13 o 63.65624 3.774702  874.8717       100.6914 936.5936       
142.5937 813.4855       142.2054 65.95709 5.149439 61.35540 5.520577 4.601696 
7.549404 
1 1 1 -14 20  14 o 83.07294 3.513960  1443.586       120.8142 1782.217       
190.4932 1215.724       156.2615 90.98591 4.986852 75.15997 4.952066 15.82594 
7.027920 
1 1 1 -14 20  15 o 178.6255 4.165946  6955.810       311.2108 6931.629       
459.9684 6976.224       422.6349 178.0399 6.153635 179.2111 5.617222 -1.171204 
8.331891 
1 1 1 -14 20  16 o 52.79249 4.355920  611.5036       96.31287 609.5121       
140.9476 613.2480       131.9146 52.62966 6.378934 52.95531 5.933410 
-0.3256531     8.711841 
1 1 1 -14 20  17 o 78.43100 3.546918  1337.420       116.2233 1196.768       
165.0657 1475.707       163.6723 74.18482 5.299841 82.67717 4.715313 -8.492348 
7.093835 
1 1 1 -14 20  18 o 23.48269 6.425005  99.09454       90.16146 111.1958       
130.0306 87.88895       125.1259 24.16345 9.213905 22.80193 8.956936 1.361523 
12.85001 
1 1 1 -14 20  19 o 48.08814 4.440824  514.9989       89.27940 571.2484       
127.0661 460.1542       125.4693 50.82150 5.955294 45.35478 6.589243 5.466724 
8.881647 
1 1 1 -14 20  20 o 28.58362 6.622186  196.0529       93.05434 155.0857       
133.2804 235.0159       129.9792 26.27220 9.449671 30.89504 9.279929 -4.622841 
13.24437 
1 1 1 -14 20  21 o 29.87529 5.780440  217.2900       87.61321 46.89881       
130.4318 357.3802       118.2671 20.91111 8.779706 38.83946 7.521352 -17.92835 
11.56088 
1 1 1 -14 20  22 o 27.10492 6.334951  157.9526       90.37154 285.4980       
136.2491 57.76166       120.7579 33.48475 9.342216 20.72510 8.558588 12.75964 
12.66990 
1 1 1 -14 20  23 o 38.47543 5.833319  364.3541       90.64302 373.4487       
138.6845 357.5717       119.7639 38.53375 8.767355 38.41712 7.697009 0.1166344 
11.66664 
1 1 1 -14 20  24 o 56.84721 3.934096  722.4674       92.74596 762.1038       
144.1272 694.4542       121.1660 57.90688 5.928389 55.78754 5.173264 2.119339 
7.868193 
1 1 1 -14 20  25 o 26.91248 6.142223  189.7945       79.96809 143.5174       
135.7029 214.4142       98.97982 24.67942 9.412124 29.14554 7.894273 -4.466116 
12.28445 
1 1 1 -14 20  26 o 27.20525 5.371686  195.7792       84.16636 -50.22220      
140.8663 332.3588       104.9619 17.56904 8.117193 36.84146 7.037841 -19.27241 
10.74337 
1 1 1 -14 20  27 o 20.10587 5.724104  81.63131       73.28215 49.03368       
127.2908 97.79150       89.62463 19.63625 8.471812 20.57549 7.699993 
-0.9392490     11.44821 
1 1 1 -14 20  28 o 51.56255 4.438720  654.6052       93.95411 572.7717       
140.8321 720.2380       126.1237 47.72361 7.028934 55.40150 5.422458 -7.677895 
8.877440 
1 1 1 -14 21  1  o 43.26596 5.418139  422.2696       95.08875 439.2747       
147.1895 410.0887       124.5738 43.47313 8.362905 43.05878 6.891061 0.4143448 
10.83628 
1 1 1 -14 21  2  o 47.28057 4.686040  476.8545       90.60573 557.0450       
149.7545 430.5499       113.7971 50.15919 7.111324 44.40195 6.104504 5.757233 
9.372081 
1 1 1 -14 21  3  o 69.69377 3.659293  1059.804       103.7879 996.2588       
165.7218 1100.812       133.1297 67.70025 5.830562 71.68729 4.423375 -3.987045 
7.318586 
1 1 1 -14 21  4  o 54.98392 4.397541  651.5800       99.16779 696.6878       
160.2545 623.5878       126.2420 56.31229 6.778413 53.65555 5.604158 2.656742 
8.795082 
1 1 1 -14 21  5  o 54.33196 4.743044  666.2631       104.5797 509.3757       
154.2958 799.5831       142.2354 47.87788 7.676093 60.78603 5.573462 -12.90815 
9.486089 
1 1 1 -14 21  6  o 26.49282 6.609334  147.3834       90.62392 140.1751       
143.2438 152.1939       117.0196 26.56548 9.772549 26.42017 8.901152 0.1453152 
13.21867 
1 1 1 -14 21  7  o 29.26205 6.615522  187.1442       89.72793 236.5426       
146.4867 157.4803       113.5157 31.85442 9.909713 26.66968 8.766877 5.184740 
13.23104 
1 1 1 -14 21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 21  9  o 69.92880 3.640493  1002.525       102.2037 1231.187       
178.4774 890.9570       124.6683 75.39140 5.638747 64.46619 4.606223 10.92521 
7.280986 
1 1 1 -14 21  10 o 27.81262 5.779527  169.3945       67.61996 200.9849       
123.2487 155.7904       80.87986 29.50062 9.072161 26.12462 7.162933 3.375996 
11.55905 
1 1 1 -14 21  11 o 59.88073 4.071159  820.2656       91.31836 679.9297       
164.2124 883.0930       109.8744 55.46503 7.051929 64.29644 4.070338 -8.831413 
8.142319 
1 1 1 -14 21  12 o 70.78304 3.448782  1083.328       102.0413 1136.522       
140.3375 1023.657       148.6363 72.73522 4.595682 68.83084 5.143549 3.904381 
6.897564 
1 1 1 -14 21  13 o 83.09422 3.346741  1484.130       116.5141 1443.465       
158.9239 1531.389       171.3257 81.91516 4.621106 84.27328 4.842322 -2.358124 
6.693482 
1 1 1 -14 21  14 o 56.84064 4.186630  717.1970       96.86295 518.7181       
135.9070 922.0995       138.0888 48.40706 6.687355 65.27422 5.038924 -16.86716 
8.373260 
1 1 1 -14 21  15 o 78.11285 3.479733  1320.918       113.6580 1320.800       
168.3211 1321.017       154.0931 78.00191 5.139896 78.22379 4.692081 
-0.2218781     6.959466 
1 1 1 -14 21  16 o 45.08846 5.127547  456.2647       93.45380 577.1219       
140.5607 360.5146       125.1115 50.93743 6.572764 39.23950 7.871832 11.69793 
10.25509 
1 1 1 -14 21  17 o 78.36783 3.256948  1328.404       107.0115 1235.286       
149.1147 1427.288       153.6618 75.48681 4.705119 81.24885 4.504742 -5.762039 
6.513896 
1 1 1 -14 21  18 o 53.75942 4.019816  637.0439       90.54514 693.8193       
130.3325 584.0783       125.8837 56.14273 5.529428 51.37611 5.836190 4.766624 
8.039632 
1 1 1 -14 21  19 o 34.64745 6.414927  298.9498       95.73863 238.5240       
136.4086 357.6123       134.4035 30.96373 9.548713 38.33118 8.568969 -7.367458 
12.82985 
1 1 1 -14 21  20 o 34.64505 6.314243  302.3397       93.86396 239.8671       
136.0067 359.1570       129.7048 30.86609 9.537887 38.42401 8.276919 -7.557922 
12.62849 
1 1 1 -14 21  21 o 19.88339 5.947276  25.46306       86.67053 90.46397       
130.5245 -25.79986      115.9135 22.60834 9.058582 17.15844 7.708595 5.449905 
11.89455 
1 1 1 -14 21  22 o 40.80013 5.589849  393.8732       93.07321 551.6218       
141.3225 273.0434       123.6846 48.80558 6.897043 32.79468 8.798661 16.01090 
11.17970 
1 1 1 -14 21  23 o 32.42756 6.509649  273.1856       92.28476 289.1529       
138.9325 260.5778       123.4549 33.08537 9.500116 31.76974 8.902241 1.315636 
13.01930 
1 1 1 -14 21  24 o 73.53801 3.563134  1182.696       107.3177 1332.346       
175.6188 1093.509       135.5764 76.78679 5.447604 70.28922 4.594270 6.497566 
7.126269 
1 1 1 -14 21  25 o 34.02380 5.996084  312.8755       84.22009 259.8763       
142.5231 341.3120       104.3971 30.57140 9.813037 37.47620 6.893212 -6.904793 
11.99217 
1 1 1 -14 21  26 o 29.22286 5.836575  247.4178       84.68399 96.74360       
142.2588 330.1153       105.3916 22.10118 9.217787 36.34455 7.162042 -14.24337 
11.67315 
1 1 1 -14 21  27 o 20.72153 5.678991  89.99339       67.68700 152.7491       
116.7106 58.18781       83.08743 23.71699 8.804401 17.72607 7.175394 5.990913 
11.35798 
1 1 1 -14 21  28 o 28.96702 7.975421  265.7854       126.6960 439.2256       
245.4692 202.8026       147.9221 32.31850 12.57752 25.61554 9.809958 6.702953 
15.95084 
1 1 1 -14 22  1  o 18.75433 5.799135  -3.692447      86.27203 -18.50012      
132.4136 7.229856       113.7225 18.94912 8.390524 18.55954 8.007432 0.3895779 
11.59827 
1 1 1 -14 22  2  o 29.83336 6.458586  212.0039       87.49828 200.7479       
141.0902 219.0383       111.5371 29.29104 9.773842 30.37569 8.445435 -1.084648 
12.91717 
1 1 1 -14 22  3  o 52.35747 4.485713  622.8375       94.22618 531.5267       
150.1848 682.1132       121.0051 48.65639 7.352029 56.05856 5.141418 -7.402168 
8.971427 
1 1 1 -14 22  4  o 31.00157 6.661905  229.3142       95.83801 182.5837       
139.1717 271.4611       132.1700 28.35901 9.707163 33.64413 9.126604 -5.285118 
13.32381 
1 1 1 -14 22  5  o 71.25700 4.165454  1125.371       122.1660 1023.631       
186.7235 1201.516       161.5380 68.06960 6.533816 74.44440 5.168490 -6.374809 
8.330909 
1 1 1 -14 22  6  o 64.44583 4.187776  897.2146       108.2828 949.3376       
184.1465 869.6664       133.8739 65.49144 6.697302 63.40023 5.029514 2.091213 
8.375551 
1 1 1 -14 22  7  o 74.64964 3.921289  1207.677       116.9343 1231.384       
199.0029 1195.176       144.5149 74.79785 6.337111 74.50143 4.620289 0.2964172 
7.842578 
1 1 1 -14 22  8  f 47.40945 5.242899  509.9815       97.46877 504.5534       
160.9462 513.1252       122.4835 46.43130 8.579037 48.38760 6.029269 -1.956295 
10.48580 
1 1 1 -14 22  9  o 75.54158 4.135464  1291.597       119.4544 1131.924       
211.0070 1366.906       144.9116 71.29665 7.049344 79.78650 4.326083 -8.489845 
8.270927 
1 1 1 -14 22  10 o 62.51482 7.688145  880.6854       201.7825 880.6854       
201.7825 0.000000       0.000000 62.51482 7.688145 ?        ?        ? ? 
1 1 1 -14 22  11 o 63.05120 4.842013  920.4927       114.8422 792.6151       
206.5356 977.7252       138.1718 58.87722 8.355429 67.22519 4.895628 -8.347973 
9.684026 
1 1 1 -14 22  12 o 57.35123 3.880265  721.4180       92.43710 746.7405       
123.5815 689.2571       139.2721 58.67918 5.016380 56.02327 5.921296 2.655907 
7.760529 
1 1 1 -14 22  13 o 85.61839 3.141881  1590.351       112.1661 1423.588       
161.6911 1745.045       155.7305 81.10389 4.748600 90.13288 4.115394 -9.028992 
6.283762 
1 1 1 -14 22  14 f 34.72869 6.299292  293.0283       92.26358 277.3619       
136.6529 306.1525       125.0752 33.69455 9.341485 35.76282 8.453458 -2.068268 
12.59858 
1 1 1 -14 22  15 o 22.64902 6.341493  84.75883       89.27428 99.17529       
131.3779 72.39129       121.6844 23.50482 9.190377 21.79321 8.740428 1.711613 
12.68299 
1 1 1 -14 22  16 f 49.95860 4.782582  565.3810       99.44368 529.6589       
147.2576 595.3288       134.8317 48.23405 7.271853 51.68314 6.213898 -3.449097 
9.565165 
1 1 1 -14 22  17 o 88.34286 3.345461  1694.820       123.7706 1537.982       
170.1871 1870.907       180.3291 83.95154 4.828575 92.73419 4.631771 -8.782654 
6.690922 
1 1 1 -14 22  18 o 85.54372 3.429846  1596.551       122.9933 1704.915       
179.7518 1501.153       168.6555 88.26469 4.850731 82.82273 4.850339 5.441963 
6.859692 
1 1 1 -14 22  19 o 37.57651 6.302225  353.9099       98.23147 317.7293       
140.5712 388.4393       137.3261 35.37915 9.329503 39.77387 8.475409 -4.394722 
12.60445 
1 1 1 -14 22  20 o 83.18605 3.561350  1529.962       124.1194 1509.953       
180.6173 1547.866       170.8521 82.52213 5.213269 83.84998 4.853315 -1.327850 
7.122699 
1 1 1 -14 22  21 o 40.84671 5.504220  399.1801       91.55653 533.4370       
135.8400 287.4192       123.9379 48.04326 6.734668 33.65015 8.708043 14.39311 
11.00844 
1 1 1 -14 22  22 o 24.80207 6.347650  133.4312       88.44141 221.9274       
131.8549 61.05378       119.2438 29.14168 9.447124 20.46247 8.480712 8.679205 
12.69530 
1 1 1 -14 22  23 o 37.36740 5.343526  337.5527       82.28230 428.0186       
122.3868 262.9333       111.1523 42.63599 6.837216 32.09881 8.213741 10.53718 
10.68705 
1 1 1 -14 22  24 o 48.63453 5.111215  596.9438       95.69749 441.0812       
145.2930 716.3702       127.1816 41.14502 8.681277 56.12404 5.397545 -14.97902 
10.22243 
1 1 1 -14 22  25 o 56.84489 4.042246  738.2612       93.00459 796.6522       
155.1813 705.5308       116.1827 57.89795 6.384064 55.79183 4.960115 2.106117 
8.084493 
1 1 1 -14 22  26 o 49.93267 4.530363  585.5095       90.61597 676.1868       
156.5526 539.8229       111.1233 51.86559 7.189554 47.99974 5.514260 3.865849 
9.060725 
1 1 1 -14 22  27 o 49.77366 4.362814  619.3994       85.02342 539.2009       
140.9169 665.3075       106.6164 45.73129 7.339572 53.81603 4.718822 -8.084743 
8.725629 
1 1 1 -14 23  1  o 46.17213 5.518654  503.7712       100.9882 473.1479       
160.3319 523.9106       130.0220 44.02246 8.985881 48.32182 6.409064 -4.299358 
11.03731 
1 1 1 -14 23  2  o 36.92723 5.955378  345.3589       94.32296 204.0089       
144.7686 449.6249       124.3363 29.12990 9.900431 44.72455 6.621751 -15.59465 
11.91076 
1 1 1 -14 23  3  f 54.32589 4.216536  649.3890       93.55394 674.2919       
151.7924 634.1350       118.8002 54.84143 6.592687 53.81036 5.258629 1.031071 
8.433072 
1 1 1 -14 23  4  o 35.27193 6.143303  304.0171       89.29690 283.3698       
142.3239 317.4219       114.6771 33.84477 9.582604 36.69909 7.689888 -2.854321 
12.28661 
1 1 1 -14 23  5  o 102.7518 3.906976  2387.265       157.9085 2089.410       
264.7826 2551.672       196.7194 96.74699 6.518882 108.7566 4.308367 -12.00961 
7.813952 
1 1 1 -14 23  6  o 36.60305 6.440599  339.0695       96.10439 275.1266       
167.8190 370.2723       117.2308 33.22350 10.64672 39.98260 7.250699 -6.759102 
12.88120 
1 1 1 -14 23  7  f 18.72389 5.655200  -16.73885      88.08961 -183.0885      
143.1140 84.72736       111.7717 15.50640 7.464057 21.94139 8.497823 -6.434995 
11.31040 
1 1 1 -14 23  8  o 45.47228 5.526770  484.8195       99.97246 446.5379       
156.8940 510.9873       129.7163 43.04138 8.976627 47.90319 6.449875 -4.861809 
11.05354 
1 1 1 -14 23  9  o 105.6811 4.741146  2473.535       185.6983 2553.745       
359.6720 2444.384       216.8339 105.2870 8.136784 106.0751 4.868943 
-0.7880630     9.482291 
1 1 1 -14 23  10 o 41.03543 6.384981  395.6800       100.2181 441.8452       
182.7476 375.8252       119.8468 41.86002 10.42557 40.21085 7.374237 1.649174 
12.76996 
1 1 1 -14 23  11 o 28.63658 8.898638  196.2967       118.1644 0.000000       
0.000000 196.2967       118.1644 ?        ?        28.63658 8.898638 ? ? 
1 1 1 -14 23  12 o 46.18534 6.708771  540.2562       130.2799 280.8558       
185.0975 794.9245       183.4014 33.30918 11.19482 59.06150 7.396379 -25.75232 
13.41754 
1 1 1 -14 23  13 o 79.52565 3.564209  1376.969       118.7338 1457.742       
175.2436 1308.425       161.4350 81.62791 5.113574 77.42338 4.966457 4.204536 
7.128417 
1 1 1 -14 23  14 o 21.43927 5.807524  62.85004       83.33677 -70.45753      
129.6730 156.6513       108.7743 16.99291 7.826973 25.88562 8.581832 -8.892710 
11.61505 
1 1 1 -14 23  15 o 21.61028 5.864927  43.36458       88.24555 -110.5738      
128.7639 179.6981       121.1775 15.84461 7.452772 27.37595 9.057906 -11.53135 
11.72985 
1 1 1 -14 23  16 o 64.77836 3.672428  924.4677       99.87301 919.5062       
140.5592 929.5268       141.9343 64.60976 5.181821 64.94696 5.205348 
-0.3372040     7.344856 
1 1 1 -14 23  17 o 97.60797 3.450920  2083.225       141.0981 1917.300       
192.7960 2274.595       207.0514 93.40889 4.916216 101.8070 4.844194 -8.398155 
6.901840 
1 1 1 -14 23  18 o 41.59835 5.917667  426.5228       99.67478 390.7288       
143.0745 460.2776       138.9393 39.50697 8.847525 43.68974 7.861071 -4.182770 
11.83533 
1 1 1 -14 23  19 o 40.98923 5.829543  414.9130       96.74641 399.5623       
140.2587 428.8456       133.6226 39.97116 8.604365 42.00729 7.867603 -2.036129 
11.65909 
1 1 1 -14 23  20 o 23.07189 6.063194  108.8507       83.82742 180.8264       
115.0206 27.30943       122.4254 26.84533 8.824795 19.29845 8.316988 7.546877 
12.12639 
1 1 1 -14 23  21 o 52.54428 4.663033  639.6901       102.4563 670.3785       
153.0375 614.7625       137.9277 53.50992 6.812155 51.57865 6.369462 1.931274 
9.326066 
1 1 1 -14 23  22 o 31.85572 5.377764  209.5948       85.47016 486.8654       
137.4918 34.96501       109.1149 45.09048 7.262948 18.62097 7.932906 26.46951 
10.75553 
1 1 1 -14 23  23 o 20.81997 5.975341  79.60385       82.98092 41.90175       
124.4192 109.8111       111.3680 19.54034 8.402253 22.09960 8.498290 -2.559265 
11.95068 
1 1 1 -14 23  24 o 55.12850 4.339779  674.7745       97.35222 954.0472       
160.8670 513.3918       122.2872 63.72036 6.013257 46.53664 6.259032 17.18372 
8.679559 
1 1 1 -14 23  25 o 67.78001 3.785277  1063.505       105.1980 1103.915       
168.4138 1037.651       134.7116 68.12327 5.888480 67.43674 4.758056 0.6865234 
7.570555 
1 1 1 -14 23  26 f 44.87538 5.230814  525.5656       92.24870 501.4360       
148.0304 540.8858       117.9525 42.39218 8.616984 47.35859 5.932390 -4.966404 
10.46163 
1 1 1 -14 24  1  o 52.48537 4.633269  629.2432       101.6621 609.0633       
148.9858 646.8263       139.0697 51.47411 6.894093 53.49663 6.191947 -2.022514 
9.266538 
1 1 1 -14 24  2  o 24.40453 6.445187  123.4170       88.40412 168.7457       
136.6249 90.76985       115.9488 26.73657 9.572386 22.07250 8.633143 4.664064 
12.89037 
1 1 1 -14 24  3  o 64.94506 4.113280  913.3382       108.7826 1057.908       
181.6544 832.5057       135.8312 68.48550 6.317836 61.40462 5.268894 7.080887 
8.226560 
1 1 1 -14 24  4  o 58.25175 4.187348  756.3298       99.56335 763.6624       
160.5600 751.7488       126.9095 58.06667 6.586147 58.43684 5.172834 
-0.3701744     8.374697 
1 1 1 -14 24  5  o 38.77975 5.697648  327.3616       91.18714 557.8254       
151.0353 195.1698       114.3877 49.26087 7.302936 28.29864 8.747564 20.96224 
11.39530 
1 1 1 -14 24  6  o 43.87033 5.539019  464.0149       96.51801 394.3349       
149.4227 513.9034       126.4336 39.89906 9.115873 47.84161 6.294742 -7.942554 
11.07804 
1 1 1 -14 24  7  o 21.89752 6.264284  50.14777       91.80194 147.1660       
141.8503 -19.77157      120.4210 25.96047 9.692629 17.83457 7.938386 8.125902 
12.52857 
1 1 1 -14 24  8  o 23.53576 6.614546  66.54004       95.03711 192.8258       
166.0636 5.034788       115.8920 28.65772 10.52416 18.41379 8.015671 10.24394 
13.22909 
1 1 1 -14 24  9  o 49.76703 5.655564  583.2087       105.4767 581.7423       
188.6806 583.8752       127.2103 48.33515 9.639380 51.19891 5.918104 -2.863758 
11.31113 
1 1 1 -14 24  10 o 77.72598 4.142506  1281.457       123.6964 1508.285       
233.5023 1192.971       145.8412 81.48878 6.825184 73.96320 4.696623 7.525581 
8.285011 
1 1 1 -14 24  11 o 104.5997 4.668222  2446.487       177.1615 2531.777       
353.5934 2417.900       204.7095 103.8779 8.107779 105.3214 4.629591 -1.443459 
9.336444 
1 1 1 -14 24  12 o 60.33223 5.074421  852.5004       121.2442 774.3578       
201.6475 896.7469       151.7360 57.15812 8.403031 63.50634 5.691051 -6.348221 
10.14884 
1 1 1 -14 24  13 o 54.54860 10.28642  760.5593       226.9542 0.000000       
0.000000 760.5593       226.9542 ?        ?        54.54860 10.28642 ? ? 
1 1 1 -14 24  14 o 22.78953 6.563606  80.90334       98.04566 115.6767       
149.7563 54.81670       129.7093 24.50002 9.743253 21.07903 8.797315 3.420990 
13.12721 
1 1 1 -14 24  15 o 70.28915 3.736574  1093.607       109.4470 927.9351       
151.2417 1275.751       158.5820 64.48848 5.586122 76.08984 4.964190 -11.60136 
7.473148 
1 1 1 -14 24  16 o 58.63239 4.287940  778.2206       105.3542 827.3587       
148.7639 728.7782       149.2239 60.64173 5.843151 56.62305 6.277204 4.018677 
8.575879 
1 1 1 -14 24  17 o 94.34261 3.628529  1976.928       143.5567 1862.334       
201.9197 2094.055       204.1381 91.44727 5.259314 97.23796 5.000452 -5.790695 
7.257059 
1 1 1 -14 24  18 o 58.77209 4.439412  792.9899       109.2304 742.4231       
156.1660 841.4244       152.8381 56.70840 6.559339 60.83579 5.984028 -4.127388 
8.878824 
1 1 1 -14 24  19 o 22.51047 6.238950  72.36300       93.16662 196.2418       
137.7760 -32.00987      126.4646 27.57942 9.638316 17.44153 7.924698 10.13789 
12.47790 
1 1 1 -14 24  20 o 20.48591 5.976614  54.15365       82.56078 121.1917       
131.5659 10.60685       106.0379 23.49011 9.194429 17.48171 7.638204 6.008402 
11.95323 
1 1 1 -14 24  21 o 16.71677 5.433698  -50.98880      87.66320 -7.098687      
130.6193 -86.96020      118.2504 18.25527 8.192608 15.17827 7.140132 3.077003 
10.86740 
1 1 1 -14 24  22 o 60.50497 3.828495  835.0350       96.75943 861.4794       
145.0368 813.8257       129.8897 61.14417 5.649947 59.86577 5.167939 1.278397 
7.656990 
1 1 1 -14 24  23 f 30.36339 5.709627  251.8127       92.54301 34.15109       
137.3781 432.6432       125.2168 19.49634 8.600608 41.23043 7.511916 -21.73409 
11.41925 
1 1 1 -14 24  24 o 68.64844 3.970433  1119.047       111.4691 1070.426       
175.2463 1152.084       144.4592 66.43089 6.283474 70.86599 4.855440 -4.435104 
7.940865 
1 1 1 -14 24  25 o 25.62241 6.350688  172.8617       84.34436 288.9908       
139.0218 105.2179       106.1027 30.47155 9.682781 20.77327 8.220016 9.698277 
12.70138 
1 1 1 -14 25  1  o 36.45888 6.226873  335.3575       93.67507 383.8555       
143.7050 299.5233       123.5262 38.62524 9.017022 34.29252 8.590059 4.332722 
12.45375 
1 1 1 -14 25  2  o 26.49647 6.712040  138.8208       96.31173 289.0959       
160.5674 54.36967       120.3695 32.67141 10.40855 20.32153 8.477501 12.34988 
13.42408 
1 1 1 -14 25  3  o 17.01639 5.536132  -59.37359      91.83707 -115.0988      
144.6847 -21.77324      118.8482 16.64361 7.849424 17.38918 7.809071 
-0.7455673     11.07226 
1 1 1 -14 25  4  o 56.04291 4.539317  666.7407       102.4134 916.5893       
178.6857 544.5145       124.9780 63.06192 6.749065 49.02390 6.072209 14.03802 
9.078634 
1 1 1 -14 25  5  o 40.25755 6.075620  412.4922       100.8138 312.7732       
152.2726 490.3119       134.5171 34.47660 9.960832 46.03851 6.959486 -11.56192 
12.15124 
1 1 1 -14 25  6  o 31.68860 6.703663  257.1181       95.54804 270.1592       
144.3199 246.9412       127.4903 32.22655 9.798365 31.15065 9.151417 1.075899 
13.40733 
1 1 1 -14 25  7  o 28.07914 6.716664  198.1041       98.15332 120.5994       
153.9000 251.2448       127.4348 24.71446 9.861852 31.44382 9.121303 -6.729361 
13.43333 
1 1 1 -14 25  8  o 23.82774 6.476479  114.7105       96.89677 -7.090081      
169.4354 173.9042       118.1182 20.95976 9.370419 26.69573 8.942838 -5.735968 
12.95296 
1 1 1 -14 25  9  o 23.93423 6.566795  51.75385       96.47351 256.5342       
170.2312 -45.13342      117.0923 31.25646 10.73357 16.61199 7.568462 14.64447 
13.13359 
1 1 1 -14 25  10 o 63.14031 4.948776  936.8248       121.3510 870.2332       
210.4610 969.9904       148.5271 60.22911 8.323122 66.05152 5.356042 -5.822414 
9.897552 
1 1 1 -14 25  11 o 67.22569 4.564890  1047.040       121.6921 972.7476       
203.5455 1088.367       151.8116 64.36761 7.532087 70.08378 5.159510 -5.716171 
9.129780 
1 1 1 -14 25  12 o 23.28385 6.661905  96.17263       102.7361 23.48644       
169.8167 138.1341       129.0268 21.80252 9.594878 24.76517 9.244577 -2.962654 
13.32381 
1 1 1 -14 25  13 o 58.16492 5.153276  806.5154       116.8615 741.5775       
200.2282 840.0634       143.9162 55.12132 8.652202 61.20853 5.600396 -6.087204 
10.30655 
1 1 1 -14 25  14 o 25.50507 6.781532  150.7955       99.49481 118.9423       
150.8653 175.3130       132.3581 24.33757 9.744101 26.67258 9.434470 -2.335007 
13.56306 
1 1 1 -14 25  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 25  16 o 33.45177 6.541448  306.0227       101.0140 185.8943       
155.8194 393.1058       132.6679 27.23914 10.16093 39.66439 8.241213 -12.42525 
13.08290 
1 1 1 -14 25  17 o 27.67001 6.389659  185.7265       96.22689 54.09271       
137.8853 310.7045       134.3541 20.96657 8.924459 34.37345 9.146857 -13.40688 
12.77932 
1 1 1 -14 25  18 o 18.36825 5.823627  -15.22159      93.94656 30.33354       
134.0426 -59.20445      131.7091 19.81924 8.623896 16.91726 7.828599 2.901979 
11.64725 
1 1 1 -14 25  19 o 42.05380 5.634325  437.4578       97.16566 511.6632       
144.1563 375.6769       131.5354 45.92504 7.476615 38.18256 8.431056 7.742477 
11.26865 
1 1 1 -14 25  20 o 16.65337 5.423705  -51.90847      88.13396 -2.750969      
130.8172 -92.76595      119.2630 18.27573 8.200376 15.03101 7.100714 3.244722 
10.84741 
1 1 1 -14 25  21 o 18.47869 5.800672  15.40370       89.85076 -1.700750      
133.4480 29.58800       121.5238 18.26077 8.233744 18.69662 8.172921 
-0.4358482     11.60134 
1 1 1 -14 25  22 o 30.52119 6.647995  270.7235       93.26251 297.6372       
138.3864 248.3286       126.2357 31.74791 9.583264 29.29447 9.216529 2.453440 
13.29599 
1 1 1 -14 25  23 o 21.88017 6.306402  117.2668       91.15257 107.9195       
137.3478 124.6245       121.8565 21.64961 9.045149 22.11073 8.790227 
-0.4611149     12.61280 
1 1 1 -14 25  24 o 30.62865 6.297147  260.3238       90.86472 419.6454       
141.9219 149.6485       118.2871 38.07914 9.007225 23.17816 8.802620 14.90098 
12.59429 
1 1 1 -14 26  1  o 53.48024 5.120020  667.5145       111.2348 775.5901       
186.5293 607.8696       138.5702 56.05847 7.925505 50.90200 6.484195 5.156467 
10.24004 
1 1 1 -14 26  2  o 50.98286 5.234580  624.3926       109.2329 629.9351       
173.9482 620.7840       140.3583 50.41013 8.219079 51.55560 6.484601 -1.145470 
10.46916 
1 1 1 -14 26  3  o 63.75391 4.987612  963.7830       133.1497 970.3379       
182.6166 956.3432       194.5541 64.27537 6.767322 63.23246 7.328606 1.042904 
9.975224 
1 1 1 -14 26  4  o 27.74192 7.143972  200.7227       108.4178 217.3979       
148.5807 181.7330       158.5569 28.59132 10.00748 26.89252 10.19783 1.698803 
14.28794 
1 1 1 -14 26  5  o 75.58615 4.483851  1323.035       141.4346 1263.040       
208.0697 1374.566       192.8354 73.54529 6.738683 77.62702 5.916910 -4.081734 
8.967702 
1 1 1 -14 26  6  o 61.16692 4.600992  849.2120       116.7296 981.2056       
183.2863 759.1423       151.4059 64.88860 6.727951 57.44524 6.277833 7.443356 
9.201983 
1 1 1 -14 26  7  o 60.64426 5.111050  776.5462       120.6678 1145.136       
229.3256 635.4207       141.9004 68.82779 7.936150 52.46074 6.442736 16.36705 
10.22210 
1 1 1 -14 26  8  o 65.53667 4.960159  1043.156       120.8068 908.9103       
219.6867 1101.348       144.6394 60.62543 8.631177 70.44790 4.890347 -9.822468 
9.920318 
1 1 1 -14 26  9  o 25.49414 6.765865  154.7046       96.54012 131.1755       
165.9817 166.7338       118.6795 25.06550 10.14358 25.92278 8.956315 
-0.8572731     13.53173 
1 1 1 -14 26  10 o 31.82128 6.775274  219.1220       102.5168 462.4394       
176.4049 95.04044       125.9730 41.35856 10.20800 22.28399 8.911463 19.07456 
13.55055 
1 1 1 -14 26  11 o 32.60204 6.718435  218.6809       107.8287 524.5680       
183.8418 58.26414       133.1338 44.22087 10.11697 20.98320 8.842866 23.23767 
13.43687 
1 1 1 -14 26  12 o 40.19801 6.884539  404.4164       111.9928 555.2964       
188.4716 322.0638       139.2416 45.45674 10.13694 34.93929 9.318263 10.51745 
13.76908 
1 1 1 -14 26  13 o 27.76205 7.109330  202.6884       108.3365 146.6637       
178.4225 235.4060       136.3485 25.78616 10.48546 29.73794 9.603403 -3.951773 
14.21866 
1 1 1 -14 26  14 o 31.39439 6.702918  269.1416       99.15781 197.1989       
150.0534 324.9105       132.1140 27.51721 10.01384 35.27156 8.912881 -7.754356 
13.40584 
1 1 1 -14 26  15 o 50.02254 5.755334  514.0809       109.3621 1197.458       
198.6362 216.8315       131.0052 71.49295 6.617838 28.55214 9.418053 42.94081 
11.51067 
1 1 1 -14 26  16 o 40.99320 5.691990  414.1785       98.96529 726.3917       
150.9260 178.6786       131.0792 55.71674 6.452076 26.26966 9.379004 29.44708 
11.38398 
1 1 1 -14 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 26  18 o 33.53796 5.989433  321.5200       103.6250 81.07368       
162.3914 486.6818       134.5887 22.32968 9.600324 44.74625 7.164287 -22.41658 
11.97887 
1 1 1 -14 26  19 o 63.45504 3.915683  939.1496       103.0625 812.3075       
148.8281 1056.023       142.8598 58.75151 6.033743 68.15856 4.992416 -9.407047 
7.831365 
1 1 1 -14 26  20 o 25.07089 6.552418  173.3689       90.94706 195.1892       
135.9089 155.6742       122.3882 26.08318 9.526442 24.05861 8.999090 2.024569 
13.10484 
1 1 1 -14 26  21 o 18.65360 5.769138  41.46301       85.70720 41.30191       
119.5094 41.63360       122.9817 18.57123 8.111617 18.73598 8.205699 
-0.1647472     11.53828 
1 1 1 -14 26  22 o 30.38717 6.325878  282.3179       94.44989 162.8403       
141.2326 378.9847       127.0370 23.87171 9.471804 36.90263 8.387601 -13.03091 
12.65176 
1 1 1 -14 27  1  o 32.80938 7.069025  323.8836       111.0099 225.3185       
155.8905 425.2840       158.1167 27.44340 10.17792 38.17536 9.812972 -10.73196 
14.13805 
1 1 1 -14 27  2  o 35.49515 7.106580  366.6751       115.8502 502.4817       
169.7371 248.2367       158.5122 42.11009 9.779778 28.88021 10.31358 13.22988 
14.21316 
1 1 1 -14 27  3  o 20.01744 6.269129  30.10353       104.1931 33.04456       
140.9242 26.55727       154.7465 19.82237 8.731951 20.21251 8.997830 
-0.3901405     12.53826 
1 1 1 -14 27  4  o 20.47137 6.254942  31.61381       104.3306 122.4032       
141.7771 -75.61751      154.0810 23.34983 9.405497 17.59292 8.248263 5.756907 
12.50988 
1 1 1 -14 27  5  o 23.73065 6.837133  112.5084       112.4294 192.2425       
154.0515 21.63969       164.4564 26.77843 10.08048 20.68287 9.239565 6.095556 
13.67427 
1 1 1 -14 27  6  o 20.32907 6.206036  42.65333       99.05286 -47.36603      
166.7884 91.70242       123.1157 19.05278 8.814084 21.60537 8.739076 -2.552591 
12.41207 
1 1 1 -14 27  7  o 26.73940 7.148060  187.3674       106.3350 161.5575       
199.2227 197.6496       125.7446 26.21755 10.91976 27.26125 9.227020 -1.043703 
14.29612 
1 1 1 -14 27  8  f 33.61392 6.972908  306.4422       100.6822 342.7222       
175.3560 288.6005       122.9716 34.15425 10.87695 33.07359 8.727983 1.080658 
13.94582 
1 1 1 -14 27  9  o 19.50956 6.188067  2.669479       102.2579 17.60145       
166.9138 -6.302197      129.3810 20.81491 9.303183 18.20421 8.162076 2.610701 
12.37613 
1 1 1 -14 27  10 o 42.78085 6.534523  474.9554       112.2232 555.6772       
178.9606 422.6409       144.0695 45.33923 9.685475 40.22247 8.774481 5.116764 
13.06905 
1 1 1 -14 27  11 o 23.18634 6.653859  65.53306       99.09077 238.8715       
174.6924 -16.69571      120.3201 29.07027 10.77564 17.30240 7.809034 11.76788 
13.30772 
1 1 1 -14 27  12 o 41.64075 6.526105  404.0660       112.3803 729.8387       
197.6621 248.4633       136.6075 53.27056 8.838065 30.01095 9.604624 23.25961 
13.05221 
1 1 1 -14 27  13 o 38.79639 6.525909  339.0039       105.4120 698.8431       
191.7012 183.0451       126.2047 51.30369 9.236914 26.28908 9.221139 25.01461 
13.05182 
1 1 1 -14 27  14 o 20.45982 6.306099  48.16761       98.75653 4.760374       
175.5418 68.26744       119.4527 20.60779 9.356198 20.31184 8.457489 0.2959576 
12.61220 
1 1 1 -14 27  15 f 27.76117 6.170671  139.2976       94.82964 418.5114       
156.5705 -22.46821      119.1749 38.64682 9.665093 16.87552 7.674288 21.77131 
12.34134 
1 1 1 -14 27  16 o 49.62526 5.736679  532.4591       107.6663 1106.563       
195.7301 283.3771       128.9238 67.42206 6.914752 31.82846 9.155552 35.59359 
11.47336 
1 1 1 -14 27  17 o 18.20374 5.843754  -21.48224      94.16402 71.58974       
154.7032 -76.25754      118.6813 21.26168 9.258338 15.14579 7.133094 6.115885 
11.68751 
1 1 1 -14 27  18 o 34.09677 6.696671  343.6766       98.77345 332.1747       
156.6403 351.2689       127.2643 32.58253 10.26974 35.61100 8.597329 -3.028465 
13.39334 
1 1 1 -14 27  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -14 27  20 o 16.99251 5.476773  -20.55812      89.96507 -112.3308      
135.0040 52.74977       120.6605 15.09502 7.261992 18.89000 8.200223 -3.794980 
10.95355 
1 1 1 -14 28  1  f 20.70790 6.371695  80.87156       103.5471 70.98957       
146.0593 90.85664       146.8192 20.36559 8.930795 21.05022 9.090372 
-0.6846313     12.74339 
1 1 1 -14 28  2  o 44.35626 6.415610  563.0301       115.5031 581.2120       
163.3552 544.8522       163.3370 45.34415 8.898082 43.36838 9.244694 1.975773 
12.83122 
1 1 1 -14 28  3  f 28.65494 7.271898  265.0583       116.0083 180.5894       
166.3872 344.9625       161.8289 24.76749 10.10740 32.54239 10.45765 -7.774895 
14.54380 
1 1 1 -14 28  4  o 22.23479 6.794804  93.12643       116.1563 28.70420       
153.8752 178.4657       177.1027 19.56730 8.831159 24.90229 10.32899 -5.334990 
13.58961 
1 1 1 -14 28  5  f 23.94105 6.872777  144.7428       114.2574 43.52930       
170.9262 226.5023       153.6239 20.68655 9.323498 27.19555 10.10013 -6.508999 
13.74555 
1 1 1 -14 28  6  o 22.16811 6.659345  84.03743       109.1573 190.1779       
167.6183 5.875987       143.8391 25.65070 10.27045 18.68553 8.479701 6.965172 
13.31869 
1 1 1 -14 28  7  o 26.17010 7.334315  199.8369       119.0278 181.6963       
197.7363 210.1453       149.0583 25.60179 10.78246 26.73842 9.945213 -1.136635 
14.66863 
1 1 1 -14 28  8  o 23.94643 6.804126  146.7037       102.8028 141.7193       
171.8347 149.4822       128.2953 24.05364 10.08719 23.83922 9.134169 0.2144184 
13.60825 
1 1 1 -14 28  9  o 20.34026 6.383388  44.11855       105.5152 45.61792       
176.1432 43.27939       131.7745 21.20193 9.514408 19.47860 8.512731 1.723331 
12.76678 
1 1 1 -14 28  10 o 18.82625 6.181653  -69.02281      104.1383 115.4038       
194.5364 -143.1005      123.2914 23.65520 10.34056 13.99730 6.776737 9.657900 
12.36331 
1 1 1 -14 28  11 o 18.63763 6.030009  -11.45776      98.95721 41.70703       
173.5327 -37.07734      120.4635 20.97144 9.426257 16.30382 7.522613 4.667620 
12.06002 
1 1 1 -14 28  12 o 21.70208 6.543315  45.79678       100.8149 222.0385       
178.8509 -36.28062      122.0530 27.01346 10.67761 16.39070 7.566274 10.62276 
13.08663 
1 1 1 -14 28  13 o 19.77604 6.247676  37.53461       101.1600 25.16371       
180.6020 43.19032       122.1139 20.63631 9.401293 18.91577 8.231009 1.720539 
12.49535 
1 1 1 -14 28  14 o 23.37907 6.816483  128.4176       103.5775 199.6017       
177.3387 91.56140       127.6048 25.82284 10.47053 20.93530 8.730738 4.887541 
13.63297 
1 1 1 -14 28  15 o 30.99185 6.884759  286.4461       97.64453 336.8563       
157.8818 255.2204       124.2595 32.51366 10.31737 29.47004 9.118742 3.043621 
13.76952 
1 1 1 -14 28  16 o 17.38541 5.689669  -26.41521      94.87862 19.63946       
154.1273 -54.51624      120.3937 19.20880 8.733243 15.56203 7.295190 3.646772 
11.37934 
1 1 1 -14 28  17 o 40.31014 6.040048  405.1818       103.9900 781.4456       
176.5624 205.3386       128.6758 54.51075 7.715022 26.10954 9.295545 28.40122 
12.08010 
1 1 1 -14 29  7  o 19.91390 6.214858  58.88319       102.2050 7.365808       
168.8314 88.68378       128.4070 19.32035 8.911113 20.50745 8.665442 -1.187105 
12.42972 
1 1 1 -14 29  8  o 26.22955 6.732405  210.4599       109.0523 58.32626       
171.4114 313.9070       141.3470 20.70225 9.333313 31.75686 9.705172 -11.05461 
13.46481 
1 1 1 -14 29  9  o 27.96804 7.228899  244.7528       108.8009 325.0012       
174.9003 194.0953       138.9613 30.61965 10.84373 25.31644 9.562505 5.303217 
14.45780 
1 1 1 -14 29  10 o 21.53697 6.528743  52.05226       104.6956 241.8947       
177.3362 -49.51944      129.7140 26.90376 10.63292 16.17019 7.578854 10.73357 
13.05749 
1 1 1 -14 29  11 o 51.24132 6.338800  556.2700       118.5482 1313.399       
250.7374 338.2973       134.5349 68.77491 8.683807 33.70773 9.236506 35.06718 
12.67760 
1 1 1 -14 29  12 o 38.93939 6.991737  389.4286       112.4961 778.4258       
209.8920 232.6446       133.2519 50.42667 10.27048 27.45211 9.489726 22.97456 
13.98347 
1 1 1 -13 -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 1  o 30.07343 3.873072  221.4296       39.56319 244.9180       
45.68201 150.9443       79.13487 34.07558 3.193177 26.07127 7.057363 8.004318 
7.746144 
1 1 1 -13 -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 1  o 86.81057 2.020956  1604.021       65.32634 1624.682       
76.67615 1549.314       124.7689 87.90394 2.077653 85.71720 3.467045 2.186737 
4.041911 
1 1 1 -13 -23 2  o 113.0455 1.726459  2677.607       80.39948 2630.031       
103.6756 2749.386       127.3436 111.8171 2.208460 114.2738 2.654308 -2.456764 
3.452918 
1 1 1 -13 -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 1  o 131.2785 2.611709  3644.376       142.3537 3550.137       
216.5693 3716.068       188.8937 129.7366 3.976084 132.8205 3.387454 -3.083954 
5.223418 
1 1 1 -13 -22 2  o 139.8117 1.879918  4113.532       109.4611 4116.808       
145.8911 4109.313       165.5727 139.8964 2.483953 139.7270 2.822472 0.1694489 
3.759836 
1 1 1 -13 -22 3  o 39.29729 2.213963  321.1726       36.28359 280.1812       
48.35828 373.9749       54.88459 36.46411 3.158830 42.13047 3.102952 -5.666363 
4.427925 
1 1 1 -13 -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 1  o 97.99695 2.693347  1986.532       109.1791 1820.611       
140.6475 2238.108       173.1869 92.96364 3.603627 103.0303 4.003791 -10.06661 
5.386694 
1 1 1 -13 -21 2  o 60.18171 2.297954  763.7803       57.02021 756.1392       
89.27025 769.0461       74.10754 59.90962 3.549206 60.45380 2.919845 
-0.5441818     4.595907 
1 1 1 -13 -21 3  o 33.27161 3.172659  238.9839       42.99329 209.2409       
67.07686 259.7233       56.01164 31.44668 5.080647 35.09653 3.801327 -3.649853 
6.345318 
1 1 1 -13 -21 4  o 164.9301 2.915285  5838.265       185.3093 5502.857       
331.8954 5990.184       223.3679 161.2290 4.903193 168.6310 3.155036 -7.401993 
5.830571 
1 1 1 -13 -21 5  o 67.70114 2.468236  953.0942       68.70316 902.7636       
87.64194 1033.326       110.6549 65.44330 3.189832 69.95898 3.767455 -4.515686 
4.936471 
1 1 1 -13 -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 1  o 43.33085 3.621882  392.7516       63.16317 382.6515       
78.36018 411.4871       106.7250 42.58471 4.382912 44.07699 5.767339 -1.492283 
7.243764 
1 1 1 -13 -20 2  o 113.1180 2.578706  2695.089       122.2751 2685.150       
168.1575 2706.240       178.1182 112.9076 3.547431 113.3284 3.743611 
-0.4207230     5.157411 
1 1 1 -13 -20 3  o 102.3498 2.373757  2100.289       94.79729 2491.180       
175.0475 1938.076       112.7643 108.7171 3.835123 95.98244 2.798344 12.73464 
4.747515 
1 1 1 -13 -20 4  o 114.3505 2.818259  2759.618       132.5822 2747.679       
209.2672 2767.624       171.3618 114.0904 4.368909 114.6106 3.561314 
-0.5201645     5.636517 
1 1 1 -13 -20 5  o 98.05417 2.203524  2018.464       84.61112 2041.928       
150.0067 2007.516       102.4669 98.41544 3.630517 97.69290 2.498282 0.7225418 
4.407047 
1 1 1 -13 -20 6  o 49.79110 2.367162  523.4290       49.04914 516.5536       
74.19192 528.7673       65.37379 49.48558 3.571075 50.09662 3.108253 
-0.6110420     4.734323 
1 1 1 -13 -20 7  o 171.0989 3.039669  6260.531       159.9061 6100.734       
396.7948 6291.515       174.7221 169.2996 5.582530 172.8981 2.407014 -3.598511 
6.079339 
1 1 1 -13 -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -20 18 o 34.28302 4.646980  286.8147       64.06877 212.2312       
95.45083 347.9708       86.43276 29.17274 7.685419 39.39331 5.226091 -10.22057 
9.293960 
1 1 1 -13 -20 19 o 26.92903 7.193316  181.3801       82.89494 0.000000       
0.000000 181.3801       82.89494 ?        ?        26.92903 7.193316 ? ? 
1 1 1 -13 -20 20 o 21.71752 7.708064  119.0114       88.41753 0.000000       
0.000000 119.0114       88.41753 ?        ?        21.71752 7.708064 ? ? 
1 1 1 -13 -20 21 o 12.49736 5.939216  -70.84490      84.55940 0.000000       
0.000000 -70.84490      84.55940 ?        ?        12.49736 5.939216 ? ? 
1 1 1 -13 -19 1  o 78.66899 2.682814  1289.305       87.60253 1211.511       
114.2078 1400.495       136.5391 75.83574 3.587094 81.50225 3.990327 -5.666512 
5.365627 
1 1 1 -13 -19 2  o 63.04579 2.810328  841.2690       73.23919 857.6759       
96.06914 818.5009       113.1712 63.80785 3.586170 62.28374 4.327950 1.524113 
5.620655 
1 1 1 -13 -19 3  o 77.73119 2.304188  1276.594       74.10312 1243.882       
114.2112 1300.377       97.38402 76.84809 3.539945 78.61428 2.950579 -1.766190 
4.608377 
1 1 1 -13 -19 4  o 78.21368 2.233318  1284.543       69.55367 1297.355       
119.2788 1277.943       85.61640 78.47529 3.620357 77.95208 2.616076 0.5232086 
4.466636 
1 1 1 -13 -19 5  o 199.9383 2.932170  8307.595       218.8274 8706.020       
424.7666 8163.650       255.3151 202.9375 4.985506 196.9392 3.087915 5.998276 
5.864341 
1 1 1 -13 -19 6  o 136.8396 2.686399  3962.047       138.9200 3916.578       
260.5698 3980.103       164.2028 136.1551 4.558386 137.5240 2.843956 -1.368927 
5.372799 
1 1 1 -13 -19 7  o 109.8526 2.206923  2553.700       99.79980 2481.476       
156.2237 2603.497       129.7194 108.4943 3.429739 111.2110 2.778296 -2.716629 
4.413846 
1 1 1 -13 -19 8  o 39.84478 2.608801  336.7404       43.40786 316.4027       
63.52871 354.5505       59.45005 38.69690 3.910343 40.99266 3.454357 -2.295757 
5.217601 
1 1 1 -13 -19 9  o 19.59397 4.335315  81.41499       39.34509 82.03690       
59.89643 80.94296       52.18247 19.78709 6.362542 19.40085 5.890491 0.3862362 
8.670630 
1 1 1 -13 -19 10 o 63.17188 2.373791  855.0601       60.82249 794.5276       
97.80484 893.2320       77.66731 61.26493 3.802502 65.07883 2.842625 -3.813900 
4.747582 
1 1 1 -13 -19 11 f 86.11504 2.163739  1587.841       77.10706 1393.296       
114.4255 1749.665       104.3599 81.16212 3.358077 91.06795 2.729539 -9.905830 
4.327478 
1 1 1 -13 -19 12 o 58.12812 2.976748  734.2957       66.86149 679.6940       
118.4460 759.8314       81.00098 56.34052 5.007497 59.91573 3.220109 -3.575214 
5.953497 
1 1 1 -13 -19 13 o 43.25320 3.243464  402.8494       57.44492 390.3862       
91.13013 411.0671       73.99817 42.59431 5.096025 43.91209 4.013821 -1.317783 
6.486927 
1 1 1 -13 -19 14 o 24.74750 5.160987  140.0948       56.98660 130.1713       
88.45809 147.1353       74.50797 24.14435 7.728967 25.35066 6.841508 -1.206314 
10.32197 
1 1 1 -13 -19 15 o 33.65849 4.285470  258.4359       57.38049 231.9595       
90.38418 276.3112       74.26601 31.63699 6.991533 35.68000 4.957768 -4.043018 
8.570939 
1 1 1 -13 -19 16 o 33.95747 4.224512  265.1032       57.13420 233.3309       
88.85317 287.5010       74.60226 31.60704 6.887226 36.30790 4.894090 -4.700855 
8.449023 
1 1 1 -13 -19 17 o 16.71348 4.960922  23.09438       58.35521 14.36116       
90.70362 29.26208       76.22527 16.89401 7.216048 16.53295 6.809673 0.3610649 
9.921844 
1 1 1 -13 -19 18 o 15.52855 4.696202  -8.626375      59.09451 -86.18889      
87.85582 55.46017       79.85976 12.88430 6.090293 18.17281 7.150216 -5.288507 
9.392405 
1 1 1 -13 -19 19 f 16.74117 4.987634  20.89600       61.78381 -27.85434      
93.59673 58.54271       82.24989 15.14566 6.858751 18.33669 7.243170 -3.191032 
9.975268 
1 1 1 -13 -19 20 o 43.77857 4.186806  447.2800       75.73318 422.1999       
115.2993 466.3114       100.4379 42.26928 6.497147 45.28786 5.282468 -3.018578 
8.373612 
1 1 1 -13 -19 21 o 51.77413 3.928381  627.6693       85.25484 676.5894       
122.8938 582.2841       118.3705 53.82984 5.437860 49.71841 5.670836 4.111427 
7.856762 
1 1 1 -13 -18 1  o 43.88479 3.703549  404.7524       67.74004 388.7939       
89.79499 425.8289       103.1944 42.90099 4.985468 44.86860 5.478158 -1.967613 
7.407098 
1 1 1 -13 -18 2  o 81.79984 2.594587  1377.048       87.91435 1736.131       
135.6740 1117.149       115.4253 90.78805 3.559501 72.81163 3.775909 17.97642 
5.189175 
1 1 1 -13 -18 3  o 106.1777 2.457333  2393.203       106.9805 2282.984       
168.5448 2467.570       138.4441 104.0733 3.857424 108.2821 3.045362 -4.208809 
4.914667 
1 1 1 -13 -18 4  f 192.1449 3.520688  7725.478       248.2702 7960.991       
492.6279 7645.295       287.4427 193.7815 6.055190 190.5084 3.593836 3.273148 
7.041376 
1 1 1 -13 -18 5  o 97.96942 2.343415  2025.395       89.39143 2008.306       
159.3803 2033.238       107.9731 97.61266 3.889103 98.32618 2.615577 
-0.7135162     4.686829 
1 1 1 -13 -18 6  o 198.4888 3.354901  8325.881       255.1940 8312.329       
468.6030 8331.594       304.2711 198.1211 5.633721 198.8565 3.644534 
-0.7353973     6.709802 
1 1 1 -13 -18 7  o 45.01482 3.073937  451.5839       54.73897 297.6465       
80.98572 581.0638       74.27419 37.50669 5.143050 52.52296 3.368293 -15.01628 
6.147874 
1 1 1 -13 -18 8  o 137.7106 3.109787  3922.375       141.1653 4147.255       
327.4969 3871.058       156.4452 139.8023 5.579738 135.6189 2.747660 4.183441 
6.219574 
1 1 1 -13 -18 9  o 59.49476 2.183189  760.3319       53.41288 605.7729       
77.43669 900.6042       73.77101 53.58745 3.441952 65.40208 2.686676 -11.81463 
4.366378 
1 1 1 -13 -18 10 o 67.22863 2.571591  872.0316       66.32989 1164.759       
128.7906 766.3568       77.38174 74.17538 4.135667 60.28188 3.057544 13.89349 
5.143181 
1 1 1 -13 -18 11 o 138.8768 2.677088  4095.242       150.3066 4031.425       
247.5514 4132.506       189.1673 137.8607 4.277064 139.8928 3.220860 -2.032043 
5.354177 
1 1 1 -13 -18 12 o 53.47263 2.495515  605.0269       55.46716 606.5860       
84.64185 603.8535       73.43193 53.50207 3.768215 53.44318 3.272757 
0.5888748E-01  4.991030 
1 1 1 -13 -18 13 o 18.24689 4.617364  57.24728       45.12047 33.78138       
59.11065 90.00880       69.84399 15.75469 6.163677 20.73908 6.876721 -4.984385 
9.234728 
1 1 1 -13 -18 14 o 50.59019 3.175932  537.4661       64.55901 583.0208       
110.2183 513.6741       79.65324 52.06555 5.042251 49.11482 3.862886 2.950726 
6.351864 
1 1 1 -13 -18 15 o 45.70414 3.517076  447.9979       66.05795 466.8063       
105.6085 435.9097       84.66520 46.36441 5.425445 45.04387 4.477034 1.320541 
7.034151 
1 1 1 -13 -18 16 o 26.18160 5.306308  162.0088       60.98367 138.2967       
100.0581 176.0229       76.92194 24.77886 8.230818 27.58433 6.699347 -2.805471 
10.61262 
1 1 1 -13 -18 17 o 68.96780 3.413384  1059.655       94.27435 950.7488       
153.8075 1125.192       119.3147 65.63647 5.581532 72.29914 3.930810 -6.662666 
6.826768 
1 1 1 -13 -18 18 o 22.48184 5.555928  112.1031       66.86599 63.47126       
103.2115 147.2780       87.77775 20.08619 8.052235 24.87749 7.657340 -4.791292 
11.11186 
1 1 1 -13 -18 19 o 16.81734 5.136373  10.92988       66.24776 -2.253107      
98.83691 21.68403       89.26897 16.65769 7.325404 16.97699 7.201928 
-0.3192940     10.27275 
1 1 1 -13 -18 20 o 24.91966 5.819631  155.3513       71.42263 130.2887       
108.6381 174.4303       94.78658 23.48560 8.523133 26.35372 7.926450 -2.868120 
11.63926 
1 1 1 -13 -18 21 o 23.06482 5.923716  131.6701       74.72900 103.2147       
117.8177 150.8233       96.66068 21.83759 8.655376 24.29205 8.089875 -2.454458 
11.84743 
1 1 1 -13 -18 22 o 63.51718 3.757120  1002.057       91.65325 665.2424       
141.6495 1244.622       120.2083 52.15998 6.468426 74.87437 3.824038 -22.71439 
7.514240 
1 1 1 -13 -17 1  o 124.5800 2.833492  3269.589       148.1990 3266.526       
209.9670 3272.629       209.2052 124.5208 4.016337 124.6391 3.997966 
-0.1183167     5.666983 
1 1 1 -13 -17 2  o 203.1154 3.951866  8706.323       335.9813 8967.695       
497.7050 8487.489       455.4060 205.8628 5.758577 200.3680 5.413666 5.494812 
7.903732 
1 1 1 -13 -17 3  o 175.3445 3.359775  6491.336       214.9688 6493.503       
427.1848 6490.601       248.7613 175.1096 5.810680 175.5794 3.374663 
-0.4698181     6.719550 
1 1 1 -13 -17 4  o 85.70633 2.421320  1498.907       78.24754 1656.237       
151.2860 1441.448       91.42619 88.62521 4.065954 82.78745 2.630433 5.837769 
4.842639 
1 1 1 -13 -17 5  o 76.12959 2.413699  1250.708       72.64670 1126.631       
122.5066 1318.005       90.22186 73.10082 3.991704 79.15836 2.714789 -6.057533 
4.827398 
1 1 1 -13 -17 6  o 30.58123 3.719682  200.1623       45.52166 204.9747       
73.05217 197.1073       58.20356 30.60434 5.895940 30.55812 4.536742 
0.4622269E-01  7.439364 
1 1 1 -13 -17 7  o 109.4984 2.236278  2528.100       100.3252 2503.943       
160.0520 2543.734       128.7613 109.0335 3.496409 109.9634 2.789063 
-0.9298553     4.472555 
1 1 1 -13 -17 8  o 88.74611 2.170484  1652.843       77.91747 1676.613       
129.1926 1639.253       97.68285 89.21381 3.449267 88.27842 2.635633 0.9353867 
4.340968 
1 1 1 -13 -17 9  o 51.33350 2.690607  573.0531       55.43341 490.1683       
88.98966 625.6073       70.86082 48.16409 4.400857 54.50292 3.096760 -6.338829 
5.381214 
1 1 1 -13 -17 10 o 91.61623 2.154847  1774.434       82.57088 1613.918       
117.6226 1930.393       115.9412 87.49979 3.201879 95.73266 2.884688 -8.232864 
4.309693 
1 1 1 -13 -17 11 o 151.3304 3.368483  4922.147       168.0303 4760.454       
380.8020 4961.243       187.2449 149.2445 6.077459 153.4164 2.907094 -4.171967 
6.736966 
1 1 1 -13 -17 12 o 96.29816 2.458481  1967.893       93.89568 1935.920       
161.1869 1984.316       115.5196 95.59332 4.016273 97.00298 2.836558 -1.409660 
4.916962 
1 1 1 -13 -17 13 o 162.3869 3.413481  5690.757       220.7222 5394.886       
371.6848 5851.935       274.3317 158.6671 5.579676 166.1067 3.933779 -7.439560 
6.826962 
1 1 1 -13 -17 14 f 30.60807 3.491738  200.1026       44.82337 211.9754       
65.04504 189.3659       61.85485 31.47273 4.922671 29.74341 4.953408 1.729326 
6.983476 
1 1 1 -13 -17 15 o 104.4586 3.724067  2369.318       136.7310 2320.402       
284.0894 2384.066       155.9862 102.9833 6.570662 105.9339 3.507294 -2.950577 
7.448135 
1 1 1 -13 -17 16 o 33.66792 4.964914  256.3622       67.15234 285.4352       
104.5385 235.9375       87.62106 35.19981 7.317003 32.13604 6.712895 3.063770 
9.929829 
1 1 1 -13 -17 17 o 38.91080 4.490904  339.2022       70.37686 345.6302       
110.3973 334.8015       91.34383 38.73688 7.048787 39.08473 5.566640 
-0.3478508     8.981809 
1 1 1 -13 -17 18 o 81.09399 3.573901  1415.880       113.5099 1507.387       
202.8077 1374.140       136.9734 82.39331 5.862914 79.79468 4.088682 2.598633 
7.147802 
1 1 1 -13 -17 19 o 19.56766 5.465867  58.51211       69.94999 -13.74953      
113.6119 102.6282       88.77052 17.43119 7.738386 21.70413 7.721410 -4.272940 
10.93173 
1 1 1 -13 -17 20 o 88.45863 3.314413  1742.317       120.7273 1619.182       
185.5460 1832.720       158.9836 85.24857 5.184247 91.66871 4.130971 -6.420143 
6.628826 
1 1 1 -13 -17 21 f 21.39231 5.846659  79.16008       76.36864 159.4334       
119.1150 23.13386       99.51228 25.24126 8.947846 17.54337 7.527929 7.697897 
11.69332 
1 1 1 -13 -17 22 o 78.86458 4.658651  1483.400       134.7386 1483.079       
259.5916 1483.519       157.6352 76.40063 8.093098 81.32852 4.616697 -4.927895 
9.317302 
1 1 1 -13 -17 23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -16 1  o 124.4896 3.152347  3265.921       164.7257 3291.440       
231.2420 3239.630       234.7115 124.9887 4.406735 123.9904 4.508863 0.9982834 
6.304694 
1 1 1 -13 -16 2  o 115.8315 3.042119  2823.364       145.7856 2850.694       
226.7945 2804.120       190.3140 116.2714 4.646017 115.3916 3.928419 0.8797913 
6.084238 
1 1 1 -13 -16 3  o 242.7976 4.081314  12433.05       395.3903 12589.91       
675.2526 12351.20       487.7505 243.6738 6.600526 241.9215 4.802244 1.752243 
8.162628 
1 1 1 -13 -16 4  o 190.4453 3.452487  7673.963       264.0925 7609.039       
442.3727 7709.916       329.1906 189.6501 5.555925 191.2405 4.100046 -1.590378 
6.904975 
1 1 1 -13 -16 5  f 99.95731 2.396966  2133.410       95.78458 2004.257       
159.7877 2205.851       119.6690 97.51241 3.903054 102.4022 2.783513 -4.889778 
4.793931 
1 1 1 -13 -16 6  o 79.99092 2.279189  1353.058       74.23756 1321.715       
119.9521 1372.516       94.51296 79.20798 3.607114 80.77386 2.787030 -1.565880 
4.558377 
1 1 1 -13 -16 7  o 54.69864 2.481235  628.1274       55.71636 639.6999       
88.99529 620.6678       71.45182 55.09335 3.847591 54.30392 3.134030 0.7894325 
4.962470 
1 1 1 -13 -16 8  o 111.0116 2.285395  2591.734       106.4309 2451.865       
148.1802 2740.784       152.9659 107.9171 3.270552 114.1061 3.193058 -6.189034 
4.570791 
1 1 1 -13 -16 9  o 27.55246 4.296619  164.8793       47.08748 176.2738       
77.66225 158.2555       59.21258 28.23833 6.652481 26.86658 5.439508 1.371752 
8.593238 
1 1 1 -13 -16 10 o 154.4358 2.798127  4896.704       160.5668 5327.376       
316.6599 4747.647       186.2922 158.7036 4.752556 150.1679 2.954871 8.535706 
5.596253 
1 1 1 -13 -16 11 o 110.8555 2.187465  2598.454       101.2064 2266.716       
142.7096 2934.107       143.5490 103.6868 3.278314 118.0242 2.897012 -14.33733 
4.374931 
1 1 1 -13 -16 12 o 58.15756 2.806602  748.8916       63.40756 620.2155       
107.6436 817.2635       78.46540 54.05720 4.743027 62.25793 3.001958 -8.200733 
5.613204 
1 1 1 -13 -16 13 o 60.62763 2.553293  739.5344       62.07401 905.3633       
108.7219 659.3350       75.60875 65.37826 3.961000 55.87701 3.222997 9.501247 
5.106587 
1 1 1 -13 -16 14 o 132.8887 3.277659  3709.197       150.5337 3853.637       
325.8643 3670.011       169.7292 133.9739 5.793455 131.8036 3.067259 2.170334 
6.555318 
1 1 1 -13 -16 15 f 34.18043 3.486907  250.1306       50.03297 245.8556       
70.65751 254.4297       70.85751 33.88264 4.967091 34.47821 4.895107 
-0.5955734     6.973813 
1 1 1 -13 -16 16 o 108.5122 3.752859  2530.864       154.5869 2566.085       
288.6406 2516.698       183.0533 108.4026 6.342183 108.6218 4.014040 
-0.2191772     7.505718 
1 1 1 -13 -16 17 o 22.75789 5.680879  101.1000       65.97055 138.7646       
108.9020 79.26576       82.91584 25.16486 8.586867 20.35093 7.440111 4.813936 
11.36176 
1 1 1 -13 -16 18 o 23.73405 5.779840  119.4794       69.31952 152.8082       
107.7784 95.96566       90.52785 25.81560 8.542455 21.65250 7.787984 4.163095 
11.55968 
1 1 1 -13 -16 19 o 66.88250 3.729010  978.0159       96.56046 1000.106       
174.2857 968.2318       115.9895 66.82926 6.211782 66.93574 4.127449 
-0.1064758     7.458020 
1 1 1 -13 -16 20 o 34.53125 5.436650  280.1577       80.94067 427.2261       
121.0254 161.1442       108.8716 43.20607 6.671949 25.85642 8.585671 17.34966 
10.87330 
1 1 1 -13 -16 21 o 23.69296 8.727837  128.6649       114.2883 128.6649       
114.2883 0.000000       0.000000 23.69296 8.727837 ?        ?        ? ? 
1 1 1 -13 -16 22 o 58.73713 5.321668  780.5319       131.2319 0.000000       
0.000000 780.5319       131.2319 ?        ?        58.73713 5.321668 ? ? 
1 1 1 -13 -16 23 o 35.06807 5.438705  310.9708       77.90093 241.8265       
103.1796 402.6384       118.8020 30.21948 8.004007 39.91666 7.365727 -9.697180 
10.87741 
1 1 1 -13 -16 24 o 24.39903 6.059880  159.1913       83.04813 70.77498       
115.6558 253.3079       119.3257 19.44107 8.219839 29.35699 8.906337 -9.915928 
12.11976 
1 1 1 -13 -15 1  o 137.9589 3.192955  4011.647       183.3859 4033.835       
244.4288 3983.073       277.3786 138.4256 4.205880 137.4922 4.805248 0.9333954 
6.385910 
1 1 1 -13 -15 2  o 118.0150 3.302959  2913.982       161.7648 3069.595       
251.1078 2803.590       211.4979 120.6599 4.956992 115.3700 4.366508 5.289909 
6.605918 
1 1 1 -13 -15 3  o 73.28732 2.534188  1174.630       74.64552 940.7604       
116.5747 1337.159       97.18136 66.82973 4.154853 79.74490 2.902693 -12.91516 
5.068376 
1 1 1 -13 -15 4  o 174.8317 3.311839  6501.421       235.9923 6215.416       
378.0690 6683.993       302.0658 171.5463 5.249413 178.1170 4.039403 -6.570724 
6.623678 
1 1 1 -13 -15 5  o 173.9389 2.988663  6396.233       216.0307 6253.071       
327.8168 6506.132       287.2197 172.1560 4.535552 175.7219 3.893224 -3.565918 
5.977326 
1 1 1 -13 -15 6  o 33.37611 3.477412  225.7666       47.61256 283.4844       
78.16386 191.7161       60.03618 36.62214 5.083740 30.13007 4.746068 6.492075 
6.954824 
1 1 1 -13 -15 7  o 57.43178 2.468748  696.1307       57.80442 688.7405       
93.41741 700.7158       73.58299 57.16093 3.892688 57.70263 3.037407 
-0.5416946     4.937495 
1 1 1 -13 -15 8  o 79.25195 2.437819  1328.039       78.57784 1300.793       
127.4346 1344.753       99.81098 78.56104 3.863681 79.94285 2.973855 -1.381805 
4.875638 
1 1 1 -13 -15 9  o 226.6566 3.526048  10855.32       309.0092 10862.23       
558.9587 10852.28       370.8286 226.4103 5.880369 226.9030 3.892729 
-0.4926605     7.052097 
1 1 1 -13 -15 10 o 78.01146 2.251384  1290.829       71.49111 1241.212       
115.1232 1321.973       91.20935 76.75238 3.572664 79.27054 2.740619 -2.518158 
4.502768 
1 1 1 -13 -15 11 o 109.0321 2.405825  2520.436       109.3928 2224.932       
156.5969 2802.077       152.8797 102.7229 3.631087 115.3412 3.157085 -12.61829 
4.811651 
1 1 1 -13 -15 12 o 70.09814 2.377667  1021.730       68.29317 1101.510       
110.9901 973.1218       86.63497 72.23923 3.659589 67.95704 3.036546 4.282196 
4.755334 
1 1 1 -13 -15 13 o 56.53160 2.873951  701.7723       64.37119 591.3807       
105.7025 766.8456       81.15560 52.77748 4.770433 60.28572 3.206455 -7.508236 
5.747902 
1 1 1 -13 -15 14 o 19.01519 4.909252  56.09633       50.65205 97.89967       
82.11569 30.42175       64.35352 21.96294 7.456413 16.06744 6.387872 5.895506 
9.818503 
1 1 1 -13 -15 15 o 49.13092 3.155388  521.9672       62.06660 484.7979       
102.7380 543.3291       77.88608 47.62208 5.138588 50.63976 3.663441 -3.017685 
6.310776 
1 1 1 -13 -15 16 f 78.01544 2.365382  1289.548       77.46214 1298.373       
110.7051 1281.083       108.4265 78.27171 3.368866 77.75917 3.321274 0.5125427 
4.730763 
1 1 1 -13 -15 17 o 45.15483 3.388295  426.5345       63.37050 358.0765       
82.26083 526.4664       99.38778 40.81520 4.800563 49.49446 4.782968 -8.679260 
6.776591 
1 1 1 -13 -15 18 o 38.72499 5.418180  388.5573       82.13142 203.9721       
134.2808 498.8849       103.8144 29.49810 9.530741 47.95189 5.156715 -18.45379 
10.83636 
1 1 1 -13 -15 19 o 25.31954 6.229835  140.5618       80.10601 163.2695       
126.3986 125.3190       103.5588 26.72093 9.241940 23.91816 8.356430 2.802771 
12.45967 
1 1 1 -13 -15 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -15 21 o 51.66105 3.614117  584.1469       77.71365 541.2477       
102.1392 643.1239       119.7593 49.53805 4.911051 53.78406 5.303672 -4.246010 
7.228233 
1 1 1 -13 -15 22 o 35.29486 5.239065  288.7535       74.10314 220.6212       
93.92046 401.1133       120.6116 29.88389 7.493000 40.70583 7.324353 -10.82194 
10.47813 
1 1 1 -13 -15 23 o 53.30878 4.037363  664.6374       87.83782 728.3007       
115.9570 578.9223       134.5491 57.00344 4.845257 49.61413 6.459465 7.389317 
8.074726 
1 1 1 -13 -15 24 o 38.49566 5.373985  387.4107       82.10536 407.3974       
104.3223 354.8803       133.0919 41.37899 6.005071 35.61233 8.913920 5.766659 
10.74797 
1 1 1 -13 -15 25 o 13.74975 4.690130  -112.9817      80.74661 -101.8168      
107.6156 -127.3650      122.1454 13.52626 6.501517 13.97323 6.761624 
-0.4469671     9.380260 
1 1 1 -13 -14 1  o 139.0793 3.164918  4043.321       181.8450 3919.650       
235.3238 4226.626       286.4973 136.4882 4.106688 141.6705 4.816840 -5.182236 
6.329836 
1 1 1 -13 -14 2  f 56.01622 3.319694  661.5472       75.20696 663.3361       
94.51849 658.4603       124.1632 56.14492 4.009843 55.88752 5.291750 0.2574005 
6.639387 
1 1 1 -13 -14 3  o 138.5838 2.832516  4026.121       157.0342 4097.004       
267.1566 3988.702       194.1072 139.4554 4.563015 137.7121 3.357303 1.743225 
5.665031 
1 1 1 -13 -14 4  o 83.21043 2.340716  1482.925       80.11252 1291.155       
121.1919 1631.760       106.7666 78.32479 3.685492 88.09608 2.886688 -9.771294 
4.681433 
1 1 1 -13 -14 5  o 142.8153 2.838457  4280.844       163.0176 4350.914       
274.0831 4242.488       202.7852 143.6461 4.544744 141.9845 3.401861 1.661682 
5.676914 
1 1 1 -13 -14 6  o 115.7099 2.812797  2883.669       123.9779 2670.769       
225.5660 2975.823       148.4040 112.4841 4.776433 118.9358 2.972036 -6.451759 
5.625594 
1 1 1 -13 -14 7  o 26.67976 4.247319  159.9026       45.94455 137.0593       
71.89833 175.6687       59.73115 24.97627 6.711717 28.38325 5.206893 -3.406984 
8.494638 
1 1 1 -13 -14 8  o 102.1642 2.615265  2190.384       102.0673 2220.751       
189.2383 2177.925       121.2091 102.5827 4.393959 101.7457 2.837529 0.8369827 
5.230530 
1 1 1 -13 -14 9  f 60.04571 2.600213  762.6285       65.05418 732.6622       
97.09197 787.0410       87.63426 58.95603 3.922619 61.13538 3.414305 -2.179352 
5.200425 
1 1 1 -13 -14 10 o 155.1804 2.748545  5049.914       174.6086 5191.663       
281.7062 4961.482       222.5050 156.8724 4.277312 153.4883 3.452911 3.384048 
5.497089 
1 1 1 -13 -14 11 o 60.78788 2.441393  769.5326       60.13702 811.7847       
100.1850 745.7336       75.18958 62.05191 3.845641 59.52385 3.008761 2.528061 
4.882785 
1 1 1 -13 -14 12 o 68.73817 2.300967  1010.075       65.42765 859.0996       
95.85443 1141.775       89.52668 63.83224 3.576788 73.64410 2.895580 -9.811867 
4.601934 
1 1 1 -13 -14 13 o 156.8415 2.731727  5218.049       178.3322 5016.198       
267.4352 5379.667       239.3029 154.0270 4.135641 159.6560 3.570128 -5.628983 
5.463455 
1 1 1 -13 -14 14 o 67.96494 2.727766  984.9548       74.08481 950.7219       
124.5675 1003.690       92.15434 66.96155 4.430986 68.96832 3.182638 -2.006775 
5.455532 
1 1 1 -13 -14 15 f 164.7732 3.765735  5716.777       202.6982 5926.056       
472.2978 5669.527       224.4169 165.7298 6.787915 163.8165 3.263014 1.913315 
7.531471 
1 1 1 -13 -14 16 o 41.43915 4.196537  420.7676       62.73619 237.5830       
99.73193 540.7191       80.70351 32.38810 7.479897 50.49019 3.807207 -18.10209 
8.393074 
1 1 1 -13 -14 17 f 58.71484 3.640255  739.6090       86.97392 744.7315       
141.6589 736.5096       110.1868 58.71247 5.746911 58.71722 4.469770 
-0.4756927E-02 7.280510 
1 1 1 -13 -14 18 o 57.90359 4.220459  733.8670       102.0968 660.8842       
145.5647 804.5341       143.2367 54.93112 6.311880 60.87606 5.604396 -5.944946 
8.440918 
1 1 1 -13 -14 19 o 20.18289 9.165907  -58.92566      168.7400 0.000000       
0.000000 -58.92566      168.7400 ?        ?        20.18289 9.165907 ? ? 
1 1 1 -13 -14 20 o 54.97083 3.652506  648.8054       82.86710 502.8835       
110.0175 840.1478       125.9816 47.81834 5.480096 62.12332 4.830294 -14.30498 
7.305011 
1 1 1 -13 -14 21 o 29.21212 5.528255  195.8496       76.35079 80.03402       
103.7657 332.5764       112.7450 21.00916 8.177281 37.41509 7.441671 -16.40593 
11.05651 
1 1 1 -13 -14 22 o 49.70164 3.944590  547.1868       81.18063 435.5293       
109.1652 685.3307       121.4244 43.89275 5.923963 55.51052 5.210166 -11.61777 
7.889180 
1 1 1 -13 -14 23 o 19.08861 5.587467  50.95356       72.42793 48.71263       
95.33345 54.01276       111.3872 18.52896 7.620907 19.64826 8.173182 -1.119305 
11.17493 
1 1 1 -13 -14 24 o 60.54835 3.654470  839.8616       91.69543 896.8373       
123.4902 769.8425       136.8975 63.29745 4.646945 57.79924 5.641500 5.498207 
7.308940 
1 1 1 -13 -14 25 o 55.13391 3.869852  708.2251       89.16509 627.7814       
120.4870 805.6193       132.5748 51.60536 5.561175 58.66246 5.382969 -7.057106 
7.739705 
1 1 1 -13 -13 1  o 145.9178 3.550315  4477.244       213.5154 4452.924       
276.4085 4513.228       336.2133 145.4682 4.525895 146.3675 5.471310 
-0.8993530     7.100631 
1 1 1 -13 -13 2  o 86.14240 3.235987  1566.630       116.4591 1615.606       
158.5729 1509.281       171.5927 87.62170 4.310606 84.66309 4.827538 2.958618 
6.471974 
1 1 1 -13 -13 3  f 317.2830 6.109485  20962.22       744.0378 22361.44       
1383.654 20393.04       882.4872 323.9247 10.17430 310.6412 6.766599 13.28351 
12.21897 
1 1 1 -13 -13 4  o 243.5033 4.251191  12510.75       434.3931 12172.23       
602.9438 12876.09       626.3750 240.0887 5.981722 246.9179 6.042309 -6.829178 
8.502382 
1 1 1 -13 -13 5  o 232.3055 3.689270  11406.79       358.5722 11117.43       
525.6112 11658.70       490.4120 229.4894 5.455355 235.1215 4.968093 -5.632111 
7.378540 
1 1 1 -13 -13 6  o 177.8599 3.405953  6708.012       211.7286 6611.104       
446.2479 6736.166       240.5256 176.7808 6.012598 178.9390 3.201676 -2.158173 
6.811905 
1 1 1 -13 -13 7  o 113.9487 2.569008  2700.604       113.4723 2822.052       
206.5888 2648.135       135.7897 115.6933 4.253237 112.2041 2.882564 3.489189 
5.138016 
1 1 1 -13 -13 8  o 41.09708 3.279219  369.1088       54.34549 301.0319       
84.72756 416.6934       70.83665 37.72551 5.349469 44.46864 3.794243 -6.743137 
6.558437 
1 1 1 -13 -13 9  o 131.2756 2.522890  3647.847       136.2531 3539.180       
213.5938 3722.407       176.9262 129.5708 3.926473 132.9805 3.169022 -3.409683 
5.045779 
1 1 1 -13 -13 10 o 70.39397 2.402445  1039.619       68.73189 1058.613       
112.7714 1028.393       86.69494 70.87699 3.789787 69.91093 2.953722 0.9660568 
4.804890 
1 1 1 -13 -13 11 o 73.38188 2.529154  1179.166       73.34798 988.4717       
120.9634 1290.049       92.24000 68.45499 4.208911 78.30876 2.805628 -9.853767 
5.058308 
1 1 1 -13 -13 12 o 154.2982 3.585475  5018.593       183.9855 5064.735       
417.0075 5007.440       205.0191 154.3786 6.433952 154.2178 3.166510 0.1608276 
7.170950 
1 1 1 -13 -13 13 f 101.0560 2.102181  2093.281       87.40352 1883.529       
111.0156 2435.298       141.7601 94.59237 2.795433 107.5196 3.140417 -12.92723 
4.204362 
1 1 1 -13 -13 14 o 71.98785 2.771703  1074.288       79.76398 1162.923       
137.7701 1029.597       97.82758 74.11212 4.427787 69.86359 3.335274 4.248535 
5.543406 
1 1 1 -13 -13 15 o 64.19295 2.689937  857.6540       70.07562 925.5649       
116.8367 819.4990       87.57600 66.09035 4.210777 62.29553 3.348492 3.794823 
5.379873 
1 1 1 -13 -13 16 o 56.16967 3.699574  618.0127       83.04565 872.2056       
147.9106 500.9935       100.3567 63.85373 5.517396 48.48561 4.930086 15.36813 
7.399149 
1 1 1 -13 -13 17 o 81.49899 5.092214  1421.549       174.2359 1421.549       
174.2359 0.000000       0.000000 81.49899 5.092214 ?        ?        ? ? 
1 1 1 -13 -13 18 o 25.58214 7.678797  147.2545       89.01667 0.000000       
0.000000 147.2545       89.01667 ?        ?        25.58214 7.678797 ? ? 
1 1 1 -13 -13 19 o 61.97162 2.963080  824.0519       76.93237 774.7915       
109.8084 871.5411       107.8165 60.10089 4.351868 63.84234 4.022514 -3.741444 
5.926160 
1 1 1 -13 -13 20 o 64.75191 3.487490  892.4168       93.78521 742.1599       
123.8154 1094.665       143.6482 58.43060 5.047255 71.07322 4.814101 -12.64262 
6.974980 
1 1 1 -13 -13 21 o 37.60840 5.163821  358.7092       79.66661 535.6785       
108.7061 153.3837       117.0918 49.39709 5.241719 25.81971 8.898570 23.57738 
10.32764 
1 1 1 -13 -13 22 o 37.17995 5.434054  333.8360       81.98032 363.0144       
114.3922 303.0258       117.5475 39.15794 7.229908 35.20197 8.114444 3.955967 
10.86811 
1 1 1 -13 -13 23 o 22.85201 6.031556  104.1510       80.73233 43.68032       
110.5385 173.2839       118.1908 19.30523 8.092910 26.39878 8.945584 -7.093554 
12.06311 
1 1 1 -13 -13 24 o 67.79608 3.516328  1012.008       99.24637 888.4294       
130.7317 1180.112       152.4749 63.01886 4.941187 72.57330 5.004291 -9.554440 
7.032657 
1 1 1 -13 -13 25 o 38.73765 5.412467  383.8354       85.89133 470.5492       
121.8932 298.3193       121.0485 44.27567 6.557458 33.19962 8.612720 11.07605 
10.82493 
1 1 1 -13 -13 26 o 20.67870 6.010857  96.50394       84.15978 112.3240       
116.8173 79.43188       121.3520 21.35736 8.564586 20.00004 8.436201 1.357315 
12.02171 
1 1 1 -13 -12 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -12 2  f 113.0032 3.405034  2685.473       160.9803 2714.393       
238.3916 2661.231       218.2592 113.5502 5.000625 112.4562 4.622855 1.093994 
6.810069 
1 1 1 -13 -12 3  o 212.1978 4.291000  9519.686       340.4425 9445.777       
650.2942 9547.591       399.5744 211.4012 7.326955 212.9944 4.468384 -1.593231 
8.582000 
1 1 1 -13 -12 4  o 59.83524 2.637374  756.1516       65.93216 713.8884       
96.41436 793.2767       90.36377 58.25126 3.942371 61.41922 3.504379 -3.167957 
5.274747 
1 1 1 -13 -12 5  o 131.7708 2.798097  3625.800       146.2909 3740.913       
254.0270 3568.679       178.9428 133.2702 4.540127 130.2714 3.271794 2.998764 
5.596194 
1 1 1 -13 -12 6  o 54.31923 2.745708  633.8562       60.25360 570.6824       
96.91386 673.6619       76.92896 52.04443 4.435400 56.59404 3.237727 -4.549610 
5.491416 
1 1 1 -13 -12 7  o 181.8019 3.817101  6852.315       266.0349 7299.262       
495.9131 6671.718       315.2337 185.6672 6.361967 177.9366 4.219765 7.730576 
7.634202 
1 1 1 -13 -12 8  o 42.28664 3.154969  395.1174       53.38797 291.5354       
81.29285 473.6743       70.79503 37.14390 5.212979 47.42938 3.555301 -10.28548 
6.309938 
1 1 1 -13 -12 9  o 98.86037 2.355600  2002.188       93.22801 2239.236       
161.6097 1883.959       114.1332 103.0900 3.733979 94.63072 2.872772 8.459290 
4.711201 
1 1 1 -13 -12 10 o 283.5738 5.643127  17079.52       562.5818 17352.80       
1182.008 16999.48       639.6827 283.6988 9.923940 283.4489 5.375402 0.2499084 
11.28625 
1 1 1 -13 -12 11 o 175.3830 3.070218  6549.772       219.3934 6229.938       
351.2551 6754.362       280.9328 171.7250 4.872032 179.0409 3.737414 -7.315903 
6.140437 
1 1 1 -13 -12 12 o 109.2000 2.731386  2509.962       106.8579 2520.405       
218.4798 2506.678       122.5112 109.2319 4.764122 109.1680 2.673016 
0.6388855E-01  5.462771 
1 1 1 -13 -12 13 o 30.34177 4.173121  200.8259       50.98890 210.7999       
76.85699 192.9849       68.14490 30.98891 6.125397 29.69464 5.669150 1.294279 
8.346242 
1 1 1 -13 -12 14 o 165.3403 3.990941  5676.017       239.3404 6070.984       
487.3061 5550.449       274.7644 168.5684 6.885677 162.1122 4.037064 6.456192 
7.981882 
1 1 1 -13 -12 15 o 45.13636 4.229433  442.7225       77.54938 399.4612       
122.9315 471.3183       99.94539 43.16594 6.783330 47.10678 5.053595 -3.940842 
8.458865 
1 1 1 -13 -12 16 o 84.85700 5.668345  1538.519       201.9403 1538.519       
201.9403 0.000000       0.000000 84.85700 5.668345 ?        ?        ? ? 
1 1 1 -13 -12 17 o 34.82759 5.346436  265.4221       74.26679 313.6246       
121.5651 236.7189       93.80782 37.20625 8.011608 32.44893 7.081781 4.757317 
10.69287 
1 1 1 -13 -12 18 o 28.77308 5.328130  186.7212       65.83984 230.2023       
95.43295 147.2276       90.95178 31.84925 7.290943 25.69690 7.771618 6.152353 
10.65626 
1 1 1 -13 -12 19 o 29.27441 5.136501  193.0349       65.37862 280.6594       
95.59409 116.0305       89.61403 35.27127 6.697731 23.27755 7.789415 11.99372 
10.27300 
1 1 1 -13 -12 20 o 36.23457 4.794223  319.6491       68.28794 191.2596       
104.3390 415.8527       90.31864 28.60156 8.239453 43.86758 4.904049 -15.26602 
9.588446 
1 1 1 -13 -12 21 o 37.38082 5.070367  326.0462       77.15358 390.0168       
106.9638 256.6665       111.3943 41.97199 6.070136 32.78965 8.123295 9.182335 
10.14073 
1 1 1 -13 -12 22 o 46.26995 4.407762  477.9037       85.27814 422.8141       
116.6649 541.1115       124.9656 43.33368 6.412621 49.20621 6.049110 -5.872536 
8.815523 
1 1 1 -13 -12 23 o 26.97105 6.115611  171.8750       82.30932 99.31313       
113.5380 252.2527       119.4964 22.28600 8.578457 31.65609 8.718534 -9.370090 
12.23122 
1 1 1 -13 -12 24 o 35.17133 5.899129  305.5686       85.62902 384.9695       
131.8876 247.7080       112.5855 39.16604 8.276558 31.17662 8.408180 7.989414 
11.79826 
1 1 1 -13 -12 25 o 41.29774 5.346242  431.3651       88.17745 487.6509       
117.0061 357.3794       134.1476 45.81391 6.083199 36.78157 8.793403 9.032345 
10.69248 
1 1 1 -13 -12 26 o 48.03675 4.595177  546.2794       91.47377 458.4254       
119.0337 672.9890       142.9531 43.40697 6.531780 52.66652 6.465172 -9.259548 
9.190353 
1 1 1 -13 -11 1  o 218.7853 3.882839  9875.802       276.1222 10396.99       
652.2787 9762.015       304.7772 222.0381 6.997240 215.5325 3.368145 6.505600 
7.765679 
1 1 1 -13 -11 2  o 62.94935 4.709087  833.7173       124.4534 0.000000       
0.000000 833.7173       124.4534 ?        ?        62.94935 4.709087 ? ? 
1 1 1 -13 -11 3  f 145.8037 5.435771  4477.455       332.7428 4477.455       
332.7428 0.000000       0.000000 145.8037 5.435771 ?        ?        ? ? 
1 1 1 -13 -11 4  o 128.1367 2.633364  3454.084       141.6034 3388.585       
201.9902 3517.383       198.5684 126.9377 3.790189 129.3357 3.656897 -2.398010 
5.266728 
1 1 1 -13 -11 5  o 169.0505 3.276096  6005.184       207.4007 6044.758       
396.6923 5990.297       243.3024 169.3162 5.580542 168.7848 3.433477 0.5313873 
6.552191 
1 1 1 -13 -11 6  o 53.93753 2.835210  607.2372       62.51646 634.2370       
101.6131 590.7927       79.30141 54.87935 4.410237 52.99570 3.564194 1.883648 
5.670420 
1 1 1 -13 -11 7  o 87.32846 2.399675  1628.118       83.21068 1529.400       
140.8145 1681.085       103.1460 85.23161 3.935208 89.42531 2.747344 -4.193703 
4.799350 
1 1 1 -13 -11 8  o 122.3791 2.562509  3185.722       127.3835 3017.771       
205.3327 3290.803       162.4159 119.6822 4.086484 125.0760 3.092970 -5.393845 
5.125019 
1 1 1 -13 -11 9  o 80.92010 2.570255  1352.167       80.72070 1449.286       
147.4868 1310.635       96.44841 82.90668 4.237257 78.93352 2.910414 3.973167 
5.140511 
1 1 1 -13 -11 10 o 67.90437 2.403694  957.3164       67.07124 1035.629       
108.1692 908.4003       85.48945 70.11097 3.674843 65.69778 3.099437 4.413193 
4.807388 
1 1 1 -13 -11 11 o 90.95706 2.432665  1752.457       88.72675 1707.568       
148.5273 1777.364       110.6373 90.00130 3.930780 91.91282 2.867123 -1.911522 
4.865329 
1 1 1 -13 -11 12 o 129.6690 3.281773  3532.830       159.7059 3588.688       
304.9641 3511.722       187.4679 130.2052 5.578810 129.1328 3.457894 1.072418 
6.563547 
1 1 1 -13 -11 13 o 193.7619 5.879909  8059.365       448.4566 7961.232       
781.0461 8107.628       547.7445 192.2220 9.678199 195.3018 6.680252 -3.079758 
11.75982 
1 1 1 -13 -11 14 o 93.17406 3.175167  1804.540       110.5347 1899.503       
214.4031 1770.163       128.9995 94.68390 5.393567 91.66423 3.352040 3.019669 
6.350333 
1 1 1 -13 -11 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -11 16 o 164.2917 3.477027  5711.851       239.3470 5391.396       
326.1591 6085.792       352.3292 159.3333 4.875779 169.2501 4.958391 -9.916809 
6.954054 
1 1 1 -13 -11 17 o 50.10533 3.362169  534.5672       70.48241 480.1250       
98.96581 590.6035       100.4041 47.48413 4.964296 52.72653 4.535691 -5.242393 
6.724339 
1 1 1 -13 -11 18 o 47.10273 3.553888  470.4111       69.99844 516.1678       
104.8288 433.5927       94.03410 49.14531 5.080654 45.06015 4.970656 4.085152 
7.107775 
1 1 1 -13 -11 19 o 67.60818 2.871518  926.4188       79.03921 1172.032       
133.2330 793.0377       98.18224 74.13741 4.280510 61.07896 3.828798 13.05846 
5.743036 
1 1 1 -13 -11 20 o 76.12689 2.921442  1240.765       93.17402 1202.352       
134.8888 1275.817       128.8541 74.94574 4.286967 77.30804 3.970038 -2.362305 
5.842884 
1 1 1 -13 -11 21 o 56.25242 3.386515  683.9442       79.96092 703.2439       
114.2963 665.4436       111.9053 57.03484 4.773237 55.47001 4.805222 1.564831 
6.773031 
1 1 1 -13 -11 22 o 25.78030 5.411622  151.9959       68.55790 232.5317       
95.30099 65.61392       98.69933 31.40036 7.351255 20.16024 7.943655 11.24012 
10.82324 
1 1 1 -13 -11 23 o 21.89746 5.937116  72.30420       80.88127 -2.011748      
109.2467 162.4494       120.3202 17.60173 7.721243 26.19319 9.021075 -8.591452 
11.87423 
1 1 1 -13 -11 24 o 58.77431 4.310523  792.9175       104.7382 718.0593       
156.9373 853.0382       140.6430 55.78029 6.701413 61.76834 5.423421 -5.988056 
8.621046 
1 1 1 -13 -11 25 o 71.47794 3.959065  1144.663       117.9746 1295.126       
180.2918 1031.996       156.0121 75.44199 5.692248 67.51389 5.504098 7.928093 
7.918130 
1 1 1 -13 -11 26 o 64.41711 3.905943  949.3462       105.0547 903.8765       
140.2171 1007.533       158.6182 62.88242 5.311203 65.95180 5.728586 -3.069374 
7.811887 
1 1 1 -13 -11 27 o 22.71719 6.190367  136.9112       85.67415 170.0876       
113.1497 92.33387       131.1583 24.53826 8.718666 20.89611 8.790189 3.642157 
12.38073 
1 1 1 -13 -10 1  o 120.3082 2.377937  2976.475       114.7342 2833.186       
141.0344 3256.885       197.2943 116.1333 2.892608 124.4831 3.775071 -8.349831 
4.755875 
1 1 1 -13 -10 2  f 69.74050 2.577780  1021.584       75.31561 932.6930       
104.9724 1115.889       108.1221 66.61337 3.753486 72.86764 3.534280 -6.254272 
5.155560 
1 1 1 -13 -10 3  o 194.5317 3.973379  7946.260       314.5742 8062.521       
513.8937 7876.590       397.8174 195.5918 6.258117 193.4716 4.897646 2.120148 
7.946759 
1 1 1 -13 -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -10 5  o 21.70255 5.067914  93.05508       52.74612 105.0566       
83.91784 85.21714       67.81681 22.83640 7.537790 20.56871 6.776190 2.267691 
10.13583 
1 1 1 -13 -10 6  o 116.6845 2.535792  2894.074       121.1755 2715.651       
190.6397 3015.029       156.9636 113.6083 3.996912 119.7608 3.121804 -6.152496 
5.071584 
1 1 1 -13 -10 7  o 211.5813 3.843813  9567.593       314.2995 9122.753       
562.0520 9769.985       379.1158 207.7443 6.444192 215.4183 4.191895 -7.673996 
7.687627 
1 1 1 -13 -10 8  o 116.9719 3.152553  2926.359       139.7890 2781.853       
258.2350 2986.256       166.2544 114.7991 5.357937 119.1447 3.323681 -4.345650 
6.305105 
1 1 1 -13 -10 9  o 64.54185 2.475592  890.2732       64.49192 825.6711       
104.9088 929.5178       81.76703 62.60436 3.991429 66.47935 2.929628 -3.874996 
4.951184 
1 1 1 -13 -10 10 o 67.25375 2.569969  986.0908       69.51352 814.9805       
109.7022 1100.889       89.85550 62.16964 4.202987 72.33786 2.958694 -10.16822 
5.139938 
1 1 1 -13 -10 11 o 118.6245 3.027885  2897.292       132.4264 3118.909       
263.7209 2822.569       153.1325 121.4489 5.172163 115.8002 3.149773 5.648689 
6.055769 
1 1 1 -13 -10 12 o 91.46818 3.750995  1787.216       129.4932 1729.024       
241.9150 1810.587       153.3059 90.25904 6.384005 92.67731 3.940093 -2.418274 
7.501990 
1 1 1 -13 -10 13 o 75.11848 4.236483  1199.200       132.8672 1229.200       
180.0618 1163.339       196.8659 76.19512 5.628795 74.04184 6.333072 2.153282 
8.472965 
1 1 1 -13 -10 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -10 15 o 136.8351 3.249185  3958.633       186.5399 3970.234       
268.8360 3947.862       259.0507 137.0113 4.673606 136.6588 4.515109 0.3525543 
6.498369 
1 1 1 -13 -10 16 o 74.40482 2.817767  1170.919       87.74477 1158.276       
128.9169 1181.830       119.7673 74.00922 4.149017 74.80041 3.813779 
-0.7911835     5.635534 
1 1 1 -13 -10 17 f 53.04068 3.408241  619.1003       73.01067 450.5666       
107.1756 765.0344       99.73119 45.95816 5.554620 60.12319 3.951027 -14.16503 
6.816482 
1 1 1 -13 -10 18 f 141.6440 3.588904  4286.426       211.5830 4221.410       
319.4818 4337.219       282.3871 140.5310 5.414958 142.7571 4.711598 -2.226120 
7.177808 
1 1 1 -13 -10 19 o 27.35735 5.362601  165.2999       63.88797 206.1965       
96.66656 133.5814       85.13123 30.11287 7.632776 24.60182 7.534632 5.511049 
10.72520 
1 1 1 -13 -10 20 o 58.33909 3.375062  730.8042       82.51749 705.7099       
118.9258 754.1020       114.5897 57.32809 4.941168 59.35008 4.598807 -2.021988 
6.750124 
1 1 1 -13 -10 21 o 84.81821 2.978415  1536.958       105.8613 1614.316       
155.6494 1470.374       144.4032 86.77338 4.272500 82.86304 4.150850 3.910347 
5.956829 
1 1 1 -13 -10 22 o 63.68777 3.298584  880.0820       87.85258 795.5232       
124.5528 963.8029       123.9341 60.53612 4.900721 66.83942 4.416512 -6.303295 
6.597169 
1 1 1 -13 -10 23 o 33.77165 5.178437  272.1657       71.00120 245.7049       
106.6602 293.2214       95.14521 31.93451 7.971661 35.60879 6.611917 -3.674280 
10.35687 
1 1 1 -13 -10 24 o 50.00559 4.524501  555.9210       92.98512 736.8459       
141.9585 419.9639       123.0589 57.26573 5.904560 42.74546 6.857158 14.52027 
9.049003 
1 1 1 -13 -10 25 o 18.21485 5.685084  1.994257       85.04263 -0.9762850     
123.1760 4.699989       117.5575 18.29008 8.096415 18.13963 7.983031 0.1504517 
11.37017 
1 1 1 -13 -10 26 o 48.46528 4.723399  553.2977       95.91662 573.2294       
140.9722 536.1171       130.8822 49.15319 6.831294 47.77738 6.524984 1.375809 
9.446798 
1 1 1 -13 -10 27 o 23.03445 6.298944  132.2442       87.14590 105.3724       
121.8921 160.3411       124.6397 21.64389 8.719899 24.42501 9.092312 -2.781115 
12.59789 
1 1 1 -13 -10 28 o 61.05066 3.947121  894.6384       99.78524 975.3960       
135.7692 799.7712       147.1524 64.79710 4.990761 57.30422 6.116484 7.492886 
7.894243 
1 1 1 -13 -9  1  o 85.89888 2.548993  1546.915       91.80682 1622.581       
134.0525 1480.077       125.9911 87.87186 3.633676 83.92590 3.575731 3.945961 
5.097985 
1 1 1 -13 -9  2  f 212.3645 3.579238  9587.007       308.8135 9078.470       
497.5306 9905.708       393.8676 207.6727 5.706390 217.0563 4.322140 -9.383621 
7.158476 
1 1 1 -13 -9  3  o 108.7098 2.330528  2503.492       97.43358 2432.560       
176.7281 2534.467       116.7856 107.5722 3.913152 109.8475 2.532330 -2.275307 
4.661057 
1 1 1 -13 -9  4  o 148.3653 2.870616  4491.516       144.2954 4862.644       
325.0020 4400.397       161.0376 151.9981 5.092944 144.7325 2.650223 7.265625 
5.741233 
1 1 1 -13 -9  5  o 97.12203 3.087742  1982.238       125.9035 0.000000       
0.000000 1982.238       125.9035 ?        ?        97.12203 3.087742 ? ? 
1 1 1 -13 -9  6  o 151.8082 6.027761  4860.477       384.1758 4860.477       
384.1758 0.000000       0.000000 151.8082 6.027761 ?        ?        ? ? 
1 1 1 -13 -9  7  o 96.33191 2.564977  1950.676       98.88863 1955.635       
167.4817 1948.021       122.5267 96.39739 4.138311 96.26642 3.031635 0.1309738 
5.129954 
1 1 1 -13 -9  8  o 174.6542 3.896502  6496.308       258.7155 6296.011       
477.9870 6579.301       307.6815 172.5340 6.598761 176.7743 4.145751 -4.240311 
7.793004 
1 1 1 -13 -9  9  o 65.38463 2.616527  903.6321       67.75279 888.5825       
116.6939 911.2852       83.21526 64.94188 4.280006 65.82738 3.011046 
-0.8855057     5.233054 
1 1 1 -13 -9  10 o 70.29980 2.581147  1034.653       75.19919 1077.103       
117.0784 1004.842       98.11296 71.50475 3.899985 69.09486 3.382219 2.409882 
5.162295 
1 1 1 -13 -9  11 o 80.22910 3.998111  1274.168       111.2537 1523.244       
247.8440 1211.316       124.5021 84.64668 6.974123 75.81152 3.911672 8.835159 
7.996222 
1 1 1 -13 -9  12 f 62.97221 3.799379  836.3981       99.65545 818.7080       
132.2389 859.6492       151.6061 62.23201 5.061350 63.71241 5.667790 -1.480400 
7.598757 
1 1 1 -13 -9  13 o 102.5558 5.870209  2228.353       252.7510 0.000000       
0.000000 2228.353       252.7510 ?        ?        102.5558 5.870209 ? ? 
1 1 1 -13 -9  14 o 135.3983 3.067263  3878.606       173.5247 3750.987       
255.8150 3987.372       236.1633 133.2912 4.571362 137.5054 4.090850 -4.214218 
6.134525 
1 1 1 -13 -9  15 o 115.8464 2.858944  2842.352       137.1898 2760.003       
210.3383 2903.321       180.9850 114.3300 4.382069 117.3627 3.673108 -3.032639 
5.717888 
1 1 1 -13 -9  16 o 92.07727 2.886735  1788.426       111.2017 1819.153       
164.9096 1762.802       150.5901 92.78001 4.233627 91.37453 3.925477 1.405479 
5.773471 
1 1 1 -13 -9  17 o 100.5195 3.009192  2142.311       125.9389 2111.999       
190.0149 2166.057       168.1852 99.82761 4.533755 101.2115 3.958031 -1.383865 
6.018384 
1 1 1 -13 -9  18 o 70.74045 2.930648  1065.545       86.56662 999.1820       
126.6273 1123.774       118.6127 68.62077 4.395344 72.86012 3.877594 -4.239349 
5.861295 
1 1 1 -13 -9  19 o 113.3229 2.909647  2720.281       135.6656 2757.293       
214.9352 2695.769       174.9111 113.8384 4.497176 112.8074 3.693183 1.030952 
5.819294 
1 1 1 -13 -9  20 o 27.06821 5.436647  167.1529       65.91132 127.0791       
97.39668 201.0111       89.52536 24.40045 8.120615 29.73597 7.230778 -5.335520 
10.87329 
1 1 1 -13 -9  21 o 25.53651 5.631193  144.7786       67.13128 171.5290       
98.52243 121.5955       91.71827 27.36924 8.046217 23.70379 7.880337 3.665455 
11.26239 
1 1 1 -13 -9  22 o 79.72501 2.843298  1368.361       94.61095 1280.461       
138.5449 1445.172       129.5116 77.20975 4.274049 82.24026 3.750984 -5.030518 
5.686596 
1 1 1 -13 -9  23 o 19.97886 5.596803  61.25591       70.14382 43.39374       
103.8189 76.25785       95.14442 19.36817 7.957228 20.58956 7.872696 -1.221384 
11.19361 
1 1 1 -13 -9  24 o 42.09121 4.531102  402.4362       77.76431 468.9914       
113.4754 343.5028       106.7804 45.82208 5.898587 38.36034 6.879694 7.461742 
9.062203 
1 1 1 -13 -9  25 f 44.82769 5.243844  484.6462       93.87617 588.4022       
130.8561 374.6209       134.7515 50.91275 6.121932 38.74264 8.515489 12.17011 
10.48769 
1 1 1 -13 -9  26 o 59.53830 4.527125  822.9401       109.6298 593.0734       
150.8757 1080.060       159.5691 49.96099 7.192988 69.11561 5.499125 -19.15462 
9.054251 
1 1 1 -13 -9  27 o 25.28323 6.488391  112.0801       104.9005 -61.68248      
141.6492 323.1201       156.1055 17.20626 8.022136 33.36020 10.20011 -16.15394 
12.97678 
1 1 1 -13 -9  28 o 51.16418 4.967769  657.1099       101.7650 509.1857       
139.8631 823.5217       148.3460 43.82566 7.888978 58.50270 6.039779 -14.67704 
9.935537 
1 1 1 -13 -8  1  o 185.9006 2.730493  7273.765       209.7944 7326.815       
274.1546 7198.799       325.8976 186.7385 3.496897 185.0627 4.194530 1.675797 
5.460986 
1 1 1 -13 -8  2  o 203.4477 3.575917  8708.538       305.3205 8432.317       
431.7373 8984.890       431.8396 200.2131 5.136274 206.6823 4.976686 -6.469208 
7.151834 
1 1 1 -13 -8  3  o 242.8563 3.654178  12397.02       292.1819 12428.73       
670.7854 12389.60       324.5928 242.8754 6.578413 242.8372 3.183793 
0.3816223E-01  7.308355 
1 1 1 -13 -8  4  o 237.7748 2.315245  11907.99       229.0102 11665.46       
346.2881 12096.51       305.3077 235.6009 3.500916 239.9488 3.030681 -4.347885 
4.630490 
1 1 1 -13 -8  5  o 65.27782 2.416596  872.1880       61.14558 956.1309       
112.5608 837.0476       72.82800 67.43375 3.975860 63.12189 2.748144 4.311852 
4.833193 
1 1 1 -13 -8  6  o 59.78976 2.745807  767.1580       66.56792 686.7480       
105.9291 819.6375       85.57666 57.13194 4.416290 62.44759 3.264079 -5.315655 
5.491614 
1 1 1 -13 -8  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -8  8  o 118.9367 3.018734  2907.433       131.7362 3123.495       
264.2663 2835.987       151.9639 121.7287 5.170944 116.1447 3.116466 5.584038 
6.037468 
1 1 1 -13 -8  9  o 40.28956 5.196431  342.2997       75.89919 369.1853       
149.2892 332.9282       88.14021 40.85532 8.948767 39.72380 5.284992 1.131523 
10.39286 
1 1 1 -13 -8  10 o 282.1463 9.245146  16972.82       923.2253 17971.53       
1934.335 16678.20       1050.613 284.7902 16.17811 279.5025 8.953194 5.287689 
18.49029 
1 1 1 -13 -8  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -8  12 o 50.60526 6.092549  542.9562       129.4415 0.000000       
0.000000 542.9562       129.4415 ?        ?        50.60526 6.092549 ? ? 
1 1 1 -13 -8  13 o 101.1710 2.869930  2166.600       121.1484 2073.625       
179.3449 2244.630       164.3013 99.13814 4.308928 103.2038 3.791982 -4.065651 
5.739860 
1 1 1 -13 -8  14 o 56.12386 3.247308  666.4877       76.28660 641.5163       
110.9821 688.8542       105.0345 55.11059 4.796660 57.13713 4.378594 -2.026539 
6.494616 
1 1 1 -13 -8  15 o 128.3199 3.134322  3476.723       168.8111 3408.223       
239.7663 3544.057       237.7166 127.0562 4.494831 129.5837 4.369485 -2.527512 
6.268645 
1 1 1 -13 -8  16 o 18.73316 5.327182  30.12390       65.08370 64.00229       
95.31954 0.5347825      89.08132 20.65248 7.884826 16.81384 7.165543 3.838640 
10.65436 
1 1 1 -13 -8  17 o 75.97359 3.046396  1242.685       94.94043 1099.451       
145.6586 1348.487       125.1869 72.02708 4.816830 79.92010 3.730987 -7.893028 
6.092792 
1 1 1 -13 -8  18 o 79.19672 2.860471  1329.046       94.76208 1188.373       
132.9208 1474.443       135.1342 74.90027 4.226985 83.49316 3.855098 -8.592888 
5.720943 
1 1 1 -13 -8  19 o 211.7560 4.300145  9655.509       375.0054 9457.146       
586.8027 9792.447       487.5567 209.4358 6.673631 214.0762 5.424725 -4.640427 
8.600290 
1 1 1 -13 -8  20 o 19.17490 5.452882  40.23595       67.07206 59.34510       
99.66812 24.41913       90.67661 20.41800 8.000425 17.93180 7.411403 2.486195 
10.90576 
1 1 1 -13 -8  21 o 36.15348 4.886299  294.4130       71.40251 301.1500       
104.0951 288.4266       98.12589 36.51100 7.042235 35.79595 6.775736 0.7150497 
9.772598 
1 1 1 -13 -8  22 o 56.50251 3.309316  687.1879       78.30488 683.5087       
114.6713 690.4023       107.1868 56.30954 4.850582 56.69548 4.503126 
-0.3859367     6.618632 
1 1 1 -13 -8  23 o 38.01218 5.101754  333.9301       78.20497 333.7166       
115.3255 334.1118       106.4089 37.86618 7.521528 38.15818 6.894795 
-0.2919960     10.20351 
1 1 1 -13 -8  24 o 21.19276 5.857460  75.67389       75.94852 101.7157       
110.2045 52.11774       104.8131 22.62813 8.524491 19.75739 8.035696 2.870743 
11.71492 
1 1 1 -13 -8  25 o 38.24148 5.323229  348.3340       83.63924 289.8381       
118.0312 407.3332       118.5379 34.27957 8.281907 42.20339 6.690074 -7.923820 
10.64646 
1 1 1 -13 -8  26 o 35.19296 5.928279  303.2621       87.30013 217.9449       
115.2558 418.0912       133.7120 29.21185 8.731320 41.17407 8.021348 -11.96222 
11.85656 
1 1 1 -13 -8  27 o 30.65507 6.558325  252.5533       94.96295 178.0674       
133.9990 327.7075       134.5988 26.23698 9.471329 35.07316 9.074162 -8.836176 
13.11665 
1 1 1 -13 -8  28 o 24.55345 6.480568  144.1942       98.15210 31.12397       
138.1045 259.5982       139.5224 19.37261 8.574647 29.73429 9.719387 -10.36168 
12.96114 
1 1 1 -13 -8  29 o 44.13004 5.688613  522.3021       102.1554 422.3676       
140.3605 634.8605       148.9622 38.40152 8.876869 49.85856 7.116352 -11.45705 
11.37723 
1 1 1 -13 -7  1  o 164.6399 2.821432  5746.786       192.1816 5368.813       
292.4785 6033.970       254.9431 159.8157 4.359088 169.4640 3.583330 -9.648361 
5.642863 
1 1 1 -13 -7  2  o 133.1226 2.561921  3721.031       143.0167 3670.097       
196.9567 3777.840       208.0077 132.1623 3.549639 134.0829 3.695108 -1.920578 
5.123842 
1 1 1 -13 -7  3  o 248.4970 3.058386  12926.09       313.1059 13269.02       
495.7973 12698.60       403.8202 251.1925 4.701306 245.8014 3.913134 5.391052 
6.116772 
1 1 1 -13 -7  4  o 193.5125 2.315088  7913.046       183.6002 7655.869       
290.8783 8083.361       236.7121 190.8632 3.630030 196.1618 2.874268 -5.298599 
4.630177 
1 1 1 -13 -7  5  o 48.84911 2.748412  492.6933       52.67863 526.6094       
94.27058 477.2941       63.52174 50.03783 4.487442 47.66039 3.174577 2.377434 
5.496824 
1 1 1 -13 -7  6  o 150.6254 2.118742  4770.459       133.0082 4740.173       
200.2427 4794.372       177.9317 150.1883 3.175716 151.0625 2.805547 
-0.8742371     4.237484 
1 1 1 -13 -7  7  o 98.76970 3.812714  2011.707       122.4261 2124.483       
289.3019 1987.105       135.1212 100.3108 6.869492 97.22860 3.310172 3.082207 
7.625428 
1 1 1 -13 -7  8  o 45.98043 4.746190  445.2253       91.62144 0.000000       
0.000000 445.2253       91.62144 ?        ?        45.98043 4.746190 ? ? 
1 1 1 -13 -7  9  o 79.44632 3.919911  1224.106       108.1261 1528.566       
242.8657 1148.840       120.7537 85.00704 6.805067 73.88559 3.892798 11.12145 
7.839822 
1 1 1 -13 -7  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -7  11 o 46.54431 6.847075  459.5762       133.7983 0.000000       
0.000000 459.5762       133.7983 ?        ?        46.54431 6.847075 ? ? 
1 1 1 -13 -7  12 o 131.0931 3.128941  3608.069       170.2739 3740.275       
263.1991 3512.909       223.2980 133.1047 4.709905 129.0815 4.120424 4.023224 
6.257883 
1 1 1 -13 -7  13 o 146.1163 3.279550  4509.522       201.1124 4446.736       
286.9725 4570.119       281.9264 145.1030 4.710694 147.1296 4.564116 -2.026611 
6.559101 
1 1 1 -13 -7  14 o 66.43725 2.912870  936.5582       80.71684 832.7447       
115.9263 1034.247       112.4546 62.82058 4.395426 70.05392 3.823541 -7.233337 
5.825739 
1 1 1 -13 -7  15 o 133.7395 3.107883  3770.746       173.2111 3805.065       
261.8739 3744.055       230.9460 134.2385 4.646609 133.2404 4.128531 0.9981079 
6.215765 
1 1 1 -13 -7  16 o 50.32598 3.495507  513.2681       71.82491 723.0760       
114.2138 376.0166       92.37745 58.50082 4.650265 42.15114 5.220087 16.34967 
6.991013 
1 1 1 -13 -7  17 o 205.4473 4.628103  9002.914       394.6606 8978.861       
604.6443 9020.770       520.9331 204.9652 7.026529 205.9294 6.025384 
-0.9641571     9.256207 
1 1 1 -13 -7  18 o 133.1219 2.840531  3697.237       153.3697 3940.021       
255.4167 3560.337       191.7965 136.3795 4.460888 129.8644 3.517803 6.515030 
5.681061 
1 1 1 -13 -7  19 o 50.09075 3.550614  523.4780       71.84105 756.2443       
109.9223 349.9188       94.91826 59.70303 4.385412 40.47847 5.585303 19.22456 
7.101229 
1 1 1 -13 -7  20 f 61.59081 3.128619  815.1029       79.66943 750.0724       
120.7843 865.1855       105.9975 59.31355 4.850399 63.86806 3.953057 -4.554516 
6.257238 
1 1 1 -13 -7  21 o 124.4989 3.336516  3312.976       174.3912 3319.201       
247.6879 3306.855       245.5785 124.6073 4.734588 124.3906 4.702449 0.2167816 
6.673031 
1 1 1 -13 -7  22 o 45.64046 3.992698  448.9560       76.23022 482.4134       
113.8727 421.7866       102.6155 47.14476 5.753173 44.13617 5.537829 3.008587 
7.985396 
1 1 1 -13 -7  23 o 18.92480 5.380527  5.821609       74.75713 -108.0775      
106.7650 115.3784       104.7101 14.30262 6.744622 23.54698 8.385126 -9.244355 
10.76105 
1 1 1 -13 -7  24 o 69.30859 3.262459  1036.339       94.41846 1089.708       
142.3954 994.4629       126.1343 70.80737 4.790033 67.80980 4.430592 2.997574 
6.524918 
1 1 1 -13 -7  25 o 41.93033 4.766271  407.6844       80.98046 455.7478       
112.0287 355.0875       117.1930 45.16654 5.907907 38.69411 7.481042 6.472431 
9.532542 
1 1 1 -13 -7  26 o 40.57389 5.139396  392.1105       84.02472 510.8952       
121.4214 282.9554       116.3957 47.45560 6.094370 33.69219 8.277211 13.76341 
10.27879 
1 1 1 -13 -7  27 o 24.62537 6.254706  147.0213       84.31121 184.3308       
112.8273 99.84455       126.8728 26.84824 8.740254 22.40249 8.949488 4.445749 
12.50941 
1 1 1 -13 -7  28 o 99.98799 3.799240  2286.447       158.4925 2278.782       
236.9076 2292.656       213.2403 99.35570 5.679463 100.6203 5.047831 -1.264580 
7.598480 
1 1 1 -13 -7  29 o 45.17168 5.672056  541.3286       104.9165 490.3148       
146.3793 595.2214       150.4531 42.19893 8.560576 48.14444 7.443481 -5.945518 
11.34411 
1 1 1 -13 -6  1  o 138.5587 2.710916  4065.827       154.6946 3862.093       
240.2785 4210.058       202.1671 135.5559 4.221992 141.5616 3.401623 -6.005646 
5.421832 
1 1 1 -13 -6  2  o 102.5531 2.638030  2213.100       113.1811 2250.143       
154.4587 2170.146       166.3235 103.4860 3.555102 101.6203 3.898469 1.865646 
5.276060 
1 1 1 -13 -6  3  o 23.52759 5.283078  114.5922       58.53921 112.6047       
82.90881 116.5681       82.66560 23.38467 7.482289 23.67051 7.460495 
-0.2858372     10.56616 
1 1 1 -13 -6  4  o 245.7323 4.111871  12802.97       411.7376 12319.60       
661.3091 13108.96       526.1605 241.8296 6.513525 249.6349 5.020350 -7.805298 
8.223742 
1 1 1 -13 -6  5  o 141.1676 3.543088  4230.604       203.4867 4034.481       
327.3653 4354.095       259.7669 138.4351 5.632583 143.9001 4.299756 -5.465012 
7.086175 
1 1 1 -13 -6  6  o 123.4093 3.878946  3183.209       175.1118 3254.757       
348.7455 3159.089       202.4886 124.2391 6.686074 122.5795 3.934628 1.659645 
7.757892 
1 1 1 -13 -6  7  o 34.80318 5.092591  268.3561       65.25240 243.0419       
126.3356 277.5663       76.20390 33.29507 8.874177 36.31130 4.998693 -3.016235 
10.18518 
1 1 1 -13 -6  8  o 137.4236 4.625328  3975.464       266.8595 0.000000       
0.000000 3975.464       266.8595 ?        ?        137.4236 4.625328 ? ? 
1 1 1 -13 -6  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -6  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -6  11 o 130.8966 3.149914  3610.975       173.0878 3556.199       
242.8838 3667.499       246.7276 129.8882 4.453996 131.9050 4.455307 -2.016785 
6.299828 
1 1 1 -13 -6  12 o 290.8432 6.975580  18098.99       826.0757 18491.37       
1348.203 17863.13       1045.272 292.5593 10.97647 289.1271 8.611156 3.432159 
13.95116 
1 1 1 -13 -6  13 o 76.22629 2.924278  1227.281       93.39045 1140.852       
132.4374 1312.768       131.7137 73.53935 4.289551 78.91323 3.975595 -5.373878 
5.848556 
1 1 1 -13 -6  14 o 99.75404 2.646698  2083.163       109.3598 2178.592       
170.7333 2016.771       142.4081 101.6514 4.000606 97.85664 3.466294 3.794800 
5.293396 
1 1 1 -13 -6  15 o 46.18663 3.659429  458.3211       69.71126 399.6377       
104.4584 505.4438       93.60529 43.44056 5.727552 48.93270 4.556405 -5.492134 
7.318858 
1 1 1 -13 -6  16 o 126.3772 3.323958  3365.192       173.7335 3422.530       
271.0331 3325.201       226.3521 127.2236 5.074294 125.5308 4.294919 1.692795 
6.647916 
1 1 1 -13 -6  17 o 45.73242 3.822936  438.4817       72.91618 485.1134       
111.2083 403.3169       96.57184 47.83145 5.537897 43.63339 5.271723 4.198055 
7.645873 
1 1 1 -13 -6  18 f 54.04348 3.496119  621.3347       78.86938 597.8048       
116.6671 641.1383       107.0312 53.06518 5.236725 55.02177 4.633367 -1.956589 
6.992237 
1 1 1 -13 -6  19 o 58.44504 3.262825  723.1776       79.92422 785.1824       
115.8717 666.9034       110.3875 60.83983 4.536389 56.05025 4.690978 4.789585 
6.525650 
1 1 1 -13 -6  20 o 44.94836 3.825607  425.1694       70.90961 552.8358       
107.0196 325.2586       94.67411 50.93019 5.005057 38.96652 5.787096 11.96368 
7.651214 
1 1 1 -13 -6  21 o 134.0365 3.447881  3836.584       193.9905 3896.904       
277.4928 3778.927       271.2999 135.0581 4.893867 133.0148 4.858146 2.043274 
6.895761 
1 1 1 -13 -6  22 o 22.45461 5.923228  91.04262       75.34233 76.25671       
108.7195 104.7046       104.5056 21.74267 8.389229 23.16654 8.364171 -1.423868 
11.84646 
1 1 1 -13 -6  23 o 60.66088 3.399129  789.9626       85.83456 816.8297       
131.0192 769.7610       113.6105 61.46978 5.076849 59.85197 4.521275 1.617813 
6.798259 
1 1 1 -13 -6  24 o 45.33958 4.405879  455.2372       83.84050 468.7356       
118.7804 441.8348       118.3574 46.04175 6.144891 44.63740 6.315646 1.404346 
8.811757 
1 1 1 -13 -6  25 o 16.08126 5.149827  -75.80818      79.15438 26.64267       
113.4374 -173.0266      110.5027 19.13246 8.117529 13.03007 6.339450 6.102393 
10.29965 
1 1 1 -13 -6  26 o 19.07610 5.757050  27.42008       81.49438 20.35656       
118.4890 33.76088       112.2637 18.99416 8.183974 19.15805 8.099202 
-0.1638927     11.51410 
1 1 1 -13 -6  27 o 57.56389 4.048647  752.9412       97.28435 681.4083       
139.5597 820.5560       135.6839 54.62262 6.085671 60.50516 5.341422 -5.882534 
8.097295 
1 1 1 -13 -6  28 o 35.68350 6.016344  331.6582       89.22752 294.2650       
125.8503 369.4541       126.5260 33.31545 8.846883 38.05155 8.155871 -4.736103 
12.03269 
1 1 1 -13 -6  29 o 22.83738 5.874201  85.72847       86.75307 -61.99340      
117.3376 263.8390       128.8426 15.40633 7.218578 30.26843 9.269146 -14.86210 
11.74840 
1 1 1 -13 -6  30 o 18.38422 5.802883  24.19340       90.36740 67.08814       
138.8875 -7.297708      119.0022 20.01654 8.743718 16.75189 7.631592 3.264656 
11.60577 
1 1 1 -13 -5  1  o 315.0856 8.769068  21098.44       1146.958 21338.27       
1517.899 20779.28       1751.060 317.4315 11.38974 312.7397 13.33641 4.691803 
17.53814 
1 1 1 -13 -5  2  o 140.8510 4.595409  4139.873       261.0145 4308.977       
438.5552 4047.115       324.8063 143.0034 7.304641 138.6986 5.577936 4.304871 
9.190819 
1 1 1 -13 -5  3  o 106.8673 3.910537  2341.290       149.4569 2521.042       
311.6889 2287.620       170.3138 109.4012 6.786100 104.3333 3.888194 5.067863 
7.821075 
1 1 1 -13 -5  4  o 227.5062 5.116462  11066.02       475.4410 10182.27       
748.7499 11663.08       615.4346 219.6641 8.118930 235.3483 6.228621 -15.68423 
10.23292 
1 1 1 -13 -5  5  o 90.13036 3.255336  1709.055       116.8870 1706.297       
199.6918 1710.492       144.1643 90.04888 5.282056 90.21185 3.806408 
-0.1629639     6.510673 
1 1 1 -13 -5  6  o 91.57994 3.662707  1765.322       140.8033 1734.013       
199.5004 1796.398       198.7535 90.76821 5.235173 92.39167 5.123929 -1.623459 
7.325413 
1 1 1 -13 -5  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -5  8  o 53.31176 4.431140  598.0481       99.17848 0.000000       
0.000000 598.0481       99.17848 ?        ?        53.31176 4.431140 ? ? 
1 1 1 -13 -5  9  o 143.4248 3.048093  4291.021       126.1584 4382.795       
342.5626 4276.622       135.6957 144.1679 5.659687 142.6817 2.265264 1.486206 
6.096185 
1 1 1 -13 -5  10 f 80.80751 4.118899  1298.255       119.0141 1534.221       
253.3248 1231.421       134.8191 85.13590 7.087385 76.47913 4.198843 8.656776 
8.237798 
1 1 1 -13 -5  11 o 20.49925 7.873663  59.77497       95.51961 0.000000       
0.000000 59.77497       95.51961 ?        ?        20.49925 7.873663 ? ? 
1 1 1 -13 -5  12 o 85.61977 2.970724  1530.413       105.0442 1623.882       
166.1503 1468.176       135.5783 87.75088 4.509940 83.48866 3.867977 4.262215 
5.941448 
1 1 1 -13 -5  13 o 111.8564 3.110252  2640.625       144.4414 2632.398       
221.1484 2646.746       190.7484 111.6627 4.717337 112.0501 4.054801 
-0.3874588     6.220504 
1 1 1 -13 -5  14 o 185.1124 3.996639  7262.684       306.1523 7218.252       
473.9240 7294.505       401.0683 184.4874 6.118754 185.7373 5.143281 -1.249863 
7.993279 
1 1 1 -13 -5  15 o 59.98399 3.232074  754.6686       81.08428 815.8305       
121.3267 705.3017       109.0019 62.16037 4.649046 57.80761 4.491280 4.352753 
6.464149 
1 1 1 -13 -5  16 o 98.33156 2.914759  2054.439       119.4055 1860.983       
174.3278 2225.414       163.8854 93.90375 4.421858 102.7594 3.798743 -8.855614 
5.829518 
1 1 1 -13 -5  17 o 88.55573 2.911981  1660.197       107.1040 1615.166       
162.6519 1694.670       142.3133 87.45628 4.429851 89.65517 3.780866 -2.198891 
5.823961 
1 1 1 -13 -5  18 o 83.35296 2.885592  1461.361       100.3836 1522.596       
151.6358 1413.588       133.9341 84.87815 4.255267 81.82777 3.898626 3.050385 
5.771185 
1 1 1 -13 -5  19 o 21.51666 5.041247  -11.35752      72.95205 219.2006       
110.0726 -191.9630      97.42144 31.25445 8.261971 11.77887 5.778973 19.47558 
10.08249 
1 1 1 -13 -5  20 o 146.5117 3.577020  4567.688       219.1021 4609.108       
325.6899 4533.444       296.1295 147.0262 5.276312 145.9973 4.831234 1.028992 
7.154040 
1 1 1 -13 -5  21 o 111.1243 3.089202  2628.758       143.9483 2748.393       
202.2629 2505.970       204.9103 113.7318 4.235995 108.5169 4.497669 5.214905 
6.178404 
1 1 1 -13 -5  22 o 92.21165 3.141527  1813.327       121.4506 1836.753       
176.9528 1792.464       166.9938 92.73938 4.544796 91.68393 4.338386 1.055450 
6.283053 
1 1 1 -13 -5  23 o 27.96952 5.965654  176.1318       76.59231 222.1564       
113.2346 137.3150       103.9906 30.85563 8.482168 25.08342 8.391005 5.772213 
11.93131 
1 1 1 -13 -5  24 o 28.51307 5.731157  193.5619       75.29056 253.2341       
101.1676 119.4825       112.7208 32.97260 7.478619 24.05353 8.686478 8.919071 
11.46231 
1 1 1 -13 -5  25 o 55.84835 3.895796  680.9701       90.92578 740.5820       
136.8452 633.8494       121.6660 57.96699 5.623024 53.72971 5.393563 4.237282 
7.791593 
1 1 1 -13 -5  26 o 23.24377 6.032763  115.3917       78.76868 74.01920       
120.1278 146.5964       104.3273 21.48804 8.656789 24.99950 8.404577 -3.511459 
12.06553 
1 1 1 -13 -5  27 o 23.75822 6.174829  124.9304       81.78081 161.0022       
117.8563 91.43260       113.5736 25.74051 8.922129 21.77594 8.538717 3.964571 
12.34966 
1 1 1 -13 -5  28 o 24.58537 6.213668  146.6080       82.57983 182.4751       
115.4006 108.9660       118.2216 26.65930 8.839361 22.51143 8.735238 4.147867 
12.42734 
1 1 1 -13 -5  29 o 23.57777 5.930617  99.49701       85.21976 264.8439       
128.9908 -28.57342      113.5233 30.84555 9.240447 16.30998 7.436599 14.53557 
11.86123 
1 1 1 -13 -5  30 o 26.15191 6.044527  174.4531       87.48089 330.2547       
129.5436 43.83859       118.6113 33.75383 8.981452 18.54998 8.091894 15.20384 
12.08905 
1 1 1 -13 -4  1  o 234.0732 7.473462  11583.58       734.2934 11293.11       
1028.156 11885.98       1049.054 231.0744 10.59811 237.0720 10.53995 -5.997589 
14.94692 
1 1 1 -13 -4  2  o 125.3970 4.423776  3338.128       222.1247 3213.789       
371.8084 3407.135       276.9874 123.5124 7.170176 127.2815 5.183411 -3.769173 
8.847551 
1 1 1 -13 -4  3  o 259.4785 8.714725  14309.12       945.2800 14071.34       
1396.629 14510.13       1284.105 257.3444 12.92669 261.6126 11.69130 -4.268188 
17.42945 
1 1 1 -13 -4  4  o 507.3381 22.69980  56193.41       4835.021 0.000000       
0.000000 56193.41       4835.021 ?        ?        507.3381 22.69980 ? ? 
1 1 1 -13 -4  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -4  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -4  7  o 101.8520 3.376732  2194.501       142.4187 2107.133       
217.9091 2259.648       188.1688 100.0514 5.187683 103.6525 4.324029 -3.601181 
6.753465 
1 1 1 -13 -4  8  o 86.56198 3.122491  1476.764       84.95184 1730.613       
214.7975 1429.695       92.49307 90.63078 5.645138 82.49317 2.670621 8.137611 
6.244982 
1 1 1 -13 -4  9  o 66.32558 3.087643  923.7358       69.90901 929.3644       
153.0828 922.2526       78.58179 66.40383 5.491036 66.24733 2.825365 0.1565018 
6.175287 
1 1 1 -13 -4  10 o 42.92267 2.981287  368.5824       51.13364 450.3842       
90.28766 329.9560       62.04254 46.24193 4.650649 39.60341 3.731454 6.638523 
5.962574 
1 1 1 -13 -4  11 o 36.24365 3.513338  282.1612       50.77138 259.7810       
84.66486 294.7287       63.44489 35.07281 5.749813 37.41450 4.039036 -2.341694 
7.026675 
1 1 1 -13 -4  12 o 170.4765 3.959073  6157.227       275.2570 6075.279       
444.0150 6208.377       350.7981 169.4144 6.242641 171.5386 4.870981 -2.124191 
7.918145 
1 1 1 -13 -4  13 o 133.6618 5.622892  3779.569       315.5340 3779.569       
315.5340 0.000000       0.000000 133.6618 5.622892 ?        ?        ? ? 
1 1 1 -13 -4  14 o 123.1521 3.209935  3202.852       164.8175 3189.985       
247.8050 3213.059       220.7144 122.8893 4.803048 123.4150 4.259748 
-0.5256500     6.419870 
1 1 1 -13 -4  15 o 88.84383 2.802078  1665.260       104.3972 1573.742       
147.6450 1756.765       147.6347 86.39040 4.070750 91.29724 3.851695 -4.906837 
5.604156 
1 1 1 -13 -4  16 o 138.6911 3.335410  4050.196       192.4003 4148.028       
294.3479 3977.215       254.2296 140.0970 5.004414 137.2853 4.410859 2.811661 
6.670820 
1 1 1 -13 -4  17 o 64.68999 3.210947  884.6378       84.88155 634.6436       
115.9357 1173.463       124.6149 54.78357 5.040669 74.59643 3.978992 -19.81286 
6.421894 
1 1 1 -13 -4  18 o 53.91693 3.575234  609.8406       80.54939 684.1046       
120.9802 550.7047       107.9570 56.83659 5.069992 50.99726 5.042259 5.839329 
7.150468 
1 1 1 -13 -4  19 o 97.38164 3.155389  2005.272       128.8952 1893.958       
179.1066 2124.855       185.6397 94.57278 4.510934 100.1905 4.413321 -5.617714 
6.310779 
1 1 1 -13 -4  20 o 125.7189 3.621165  3367.009       190.9093 3195.548       
270.7450 3536.563       269.2346 122.4836 5.265062 128.9543 4.972973 -6.470657 
7.242330 
1 1 1 -13 -4  21 o 64.19209 3.382235  877.3644       91.12878 904.5949       
129.5918 850.7277       128.1711 65.18638 4.735235 63.19779 4.830692 1.988586 
6.764469 
1 1 1 -13 -4  22 o 128.2211 3.102559  3503.588       166.9551 3420.682       
237.1953 3584.993       235.0397 126.6863 4.459617 129.7559 4.314546 -3.069656 
6.205118 
1 1 1 -13 -4  23 o 113.1717 3.513003  2752.360       166.9014 2778.034       
237.8917 2727.472       234.2195 113.6828 4.984317 112.6606 4.951903 1.022194 
7.026006 
1 1 1 -13 -4  24 o 94.67714 3.256608  1928.100       129.3958 1989.654       
186.0782 1870.466       180.0568 96.13673 4.610278 93.21756 4.600796 2.919167 
6.513216 
1 1 1 -13 -4  25 o 66.80184 3.495183  970.1534       97.34933 828.4394       
135.1838 1122.807       140.3045 61.59783 5.227333 72.00585 4.641141 -10.40802 
6.990365 
1 1 1 -13 -4  26 o 110.8133 3.184712  2664.030       147.0473 2716.356       
222.7911 2623.640       195.7382 111.5547 4.756978 110.0719 4.235649 1.482735 
6.369424 
1 1 1 -13 -4  27 o 45.23656 4.426844  465.8926       83.25800 454.2380       
125.5337 475.0452       111.2460 44.46746 6.724173 46.00565 5.759626 -1.538189 
8.853688 
1 1 1 -13 -4  28 o 55.92667 3.785677  701.1264       88.47263 719.8202       
132.2371 685.9779       119.0394 56.44091 5.580593 55.41242 5.116873 1.028496 
7.571354 
1 1 1 -13 -4  29 f 53.65760 4.259104  653.1619       94.28912 753.7409       
151.1792 589.1296       120.6251 56.66911 6.354285 50.64609 5.673000 6.023014 
8.518208 
1 1 1 -13 -4  30 o 24.52215 6.377440  164.2719       85.49100 188.6057       
131.5132 146.4639       112.5050 25.63176 9.370184 23.41253 8.653707 2.219229 
12.75488 
1 1 1 -13 -3  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -3  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -3  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -3  4  o 237.9173 10.63404  11984.90       1062.193 0.000000       
0.000000 11984.90       1062.193 ?        ?        237.9173 10.63404 ? ? 
1 1 1 -13 -3  5  o 242.8179 6.235777  12465.85       634.3850 12290.10       
923.6748 12622.77       872.7973 241.1424 9.123609 244.4933 8.502907 -3.350983 
12.47155 
1 1 1 -13 -3  6  o 115.0956 3.944717  2748.241       161.5361 2864.752       
336.7680 2713.423       184.0970 116.5738 6.880988 113.6175 3.859426 2.956375 
7.889434 
1 1 1 -13 -3  7  o 271.7690 5.446928  15933.05       512.6786 14994.43       
1081.117 16205.37       582.3175 266.0341 9.679582 277.5039 4.998179 -11.46979 
10.89386 
1 1 1 -13 -3  8  o 54.10474 3.308453  549.6731       62.53404 740.2062       
141.3546 503.3101       69.72848 59.27506 5.680138 48.93443 3.394038 10.34063 
6.616907 
1 1 1 -13 -3  9  o 85.26874 3.162903  1526.313       87.65388 1536.274       
204.8260 1524.080       96.98311 85.36976 5.714815 85.16772 2.712328 0.2020416 
6.325807 
1 1 1 -13 -3  10 o 148.3046 2.909098  4628.056       163.5787 4629.849       
306.1706 4627.340       193.5128 148.2447 4.919324 148.3645 3.106711 
-0.1198120     5.818196 
1 1 1 -13 -3  11 o 41.39045 3.333450  346.2440       56.05373 419.5904       
94.84651 306.8757       69.48729 44.60875 5.064334 38.17215 4.335906 6.436604 
6.666901 
1 1 1 -13 -3  12 o 23.80492 4.671401  116.5106       48.14912 163.5690       
77.11554 86.44350       61.64083 27.25068 6.763581 20.35916 6.445302 6.891523 
9.342802 
1 1 1 -13 -3  13 o 33.37139 5.043533  229.3447       70.09483 347.9695       
110.2177 148.7829       90.82980 40.51308 6.480033 26.22970 7.730334 14.28338 
10.08707 
1 1 1 -13 -3  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -3  15 o 141.1070 3.390113  4236.948       196.4785 4049.799       
308.1199 4365.195       255.0641 138.3625 5.304232 143.8516 4.223337 -5.489105 
6.780225 
1 1 1 -13 -3  16 o 145.1791 3.693965  4467.933       224.5793 4182.186       
321.4878 4740.273       313.8559 140.5882 5.446740 149.7700 4.991447 -9.181793 
7.387931 
1 1 1 -13 -3  17 o 118.4060 2.931188  2905.432       142.5290 3199.551       
230.9802 2724.580       181.1238 123.1143 4.468760 113.6976 3.794420 9.416756 
5.862375 
1 1 1 -13 -3  18 o 113.8897 3.006062  2738.396       143.3384 2739.895       
210.6828 2737.104       195.5809 113.8946 4.406026 113.8849 4.090546 
0.9658813E-02  6.012124 
1 1 1 -13 -3  19 o 105.1460 3.114682  2339.424       137.3554 2355.420       
190.3938 2322.064       198.3500 105.5404 4.296900 104.7515 4.510170 0.7888489 
6.229364 
1 1 1 -13 -3  20 o 38.39663 5.008069  321.8833       78.86742 367.1530       
114.1909 280.5927       109.0569 41.37994 6.572986 35.41333 7.557703 5.966614 
10.01614 
1 1 1 -13 -3  21 o 38.76915 4.985174  336.5880       77.54858 462.5361       
111.3357 217.9040       108.0774 46.49427 5.703693 31.04404 8.177757 15.45023 
9.970347 
1 1 1 -13 -3  22 o 15.71491 5.066878  -61.37634      74.15728 -73.07392      
104.4561 -49.48957      105.2974 15.29528 7.036659 16.13453 7.292355 
-0.8392467     10.13376 
1 1 1 -13 -3  23 o 99.41335 3.222924  2110.094       134.1763 2071.495       
182.6682 2155.323       197.7341 98.48225 4.418003 100.3444 4.693635 -1.862175 
6.445848 
1 1 1 -13 -3  24 o 41.88323 4.789585  391.8983       81.24180 392.1065       
124.8930 391.7455       106.9655 41.41593 7.454430 42.35053 6.015976 
-0.9346008     9.579169 
1 1 1 -13 -3  25 o 77.07829 3.176781  1287.294       102.3109 1182.694       
147.5155 1384.246       142.0198 73.92392 4.753064 80.23266 4.216176 -6.308739 
6.353562 
1 1 1 -13 -3  26 o 65.26611 3.577250  940.3210       96.64994 870.9046       
145.8743 994.6372       129.0366 62.84191 5.529048 67.69030 4.540539 -4.848392 
7.154500 
1 1 1 -13 -3  27 o 23.47098 6.150156  118.6804       79.83361 115.1163       
126.4654 121.0416       102.9361 23.65383 9.067151 23.28813 8.311704 0.3657074 
12.30031 
1 1 1 -13 -3  28 f 16.43040 5.217923  -29.67084      75.58990 16.67180       
110.8491 -69.95168      103.3454 18.18744 7.876965 14.67336 6.845458 3.514073 
10.43585 
1 1 1 -13 -3  29 o 54.24503 4.045440  678.6869       91.05673 594.4592       
132.3539 754.3797       125.4691 50.60756 6.229344 57.88250 5.163101 -7.274944 
8.090880 
1 1 1 -13 -3  30 o 22.39709 6.125598  110.4655       83.53385 179.8203       
126.4231 56.72231       111.2883 25.60549 9.204013 19.18868 8.085663 6.416805 
12.25120 
1 1 1 -13 -3  31 o 34.01897 6.492387  343.7775       95.70298 301.6727       
135.8043 385.3168       134.8892 31.40858 9.495969 36.62934 8.856124 -5.220760 
12.98477 
1 1 1 -13 -2  1  o 132.3349 5.212999  3682.902       289.6283 3682.902       
289.6283 0.000000       0.000000 132.3349 5.212999 ?        ?        ? ? 
1 1 1 -13 -2  2  o 190.5204 10.25608  7675.013       820.3550 7675.013       
820.3550 0.000000       0.000000 190.5204 10.25608 ?        ?        ? ? 
1 1 1 -13 -2  3  o 81.81224 3.405897  1461.323       112.5901 1109.552       
169.2841 1740.363       150.7717 72.62212 5.552241 91.00236 3.946284 -18.38024 
6.811794 
1 1 1 -13 -2  4  o 120.4745 3.632183  3001.644       173.5381 3207.424       
304.0544 2902.225       211.3416 123.4488 5.866587 117.5002 4.284178 5.948616 
7.264366 
1 1 1 -13 -2  5  o 488.3098 13.81505  52018.52       2465.159 50717.38       
4833.116 52476.06       2865.994 480.4415 23.96115 496.1780 13.75811 -15.73651 
27.63010 
1 1 1 -13 -2  6  o 313.0045 7.790931  20913.51       905.8625 20508.24       
1741.118 21063.93       1060.731 310.1281 13.37236 315.8809 7.998402 -5.752716 
15.58186 
1 1 1 -13 -2  7  o 290.5620 5.986982  17758.64       543.0764 17977.18       
1335.711 17715.36       594.4264 290.9566 10.93466 290.1674 4.879445 0.7891846 
11.97396 
1 1 1 -13 -2  8  o 192.2693 3.818830  7574.430       170.3188 8040.945       
598.3853 7533.304       177.6676 195.1515 7.303484 189.3871 2.234492 5.764420 
7.637660 
1 1 1 -13 -2  9  o 77.87029 3.064531  1190.249       78.97832 1418.359       
187.5513 1141.080       87.07518 82.04859 5.444651 73.69199 2.814461 8.356606 
6.129063 
1 1 1 -13 -2  10 o 147.5458 3.008351  4578.057       155.0047 4588.331       
328.6466 4575.117       175.7844 147.5461 5.305452 147.5455 2.837759 
0.6561279E-03  6.016702 
1 1 1 -13 -2  11 o 24.20598 4.856421  120.5967       48.76157 147.0818       
87.66911 108.7332       58.67476 26.08149 7.565376 22.33047 6.091338 3.751013 
9.712843 
1 1 1 -13 -2  12 o 18.05117 4.660481  54.43126       45.24731 64.71107       
71.73883 47.64032       58.30777 19.18670 6.929686 16.91565 6.233763 2.271049 
9.320963 
1 1 1 -13 -2  13 f 61.38835 2.353841  757.4305       58.35447 923.3093       
100.3987 672.8032       71.71133 66.22215 3.611154 56.55455 3.020239 9.667603 
4.707683 
1 1 1 -13 -2  14 o 77.62635 2.615590  1250.630       75.88133 1310.720       
147.0347 1228.816       88.59033 78.81785 4.443410 76.43485 2.760679 2.382996 
5.231180 
1 1 1 -13 -2  15 o 55.88684 4.308837  671.5110       89.17278 642.5610       
171.1463 682.2988       104.4744 54.91174 7.423753 56.86195 4.376323 -1.950211 
8.617674 
1 1 1 -13 -2  16 o 83.00408 4.607954  1454.546       160.5782 1454.546       
160.5782 0.000000       0.000000 83.00408 4.607954 ?        ?        ? ? 
1 1 1 -13 -2  17 o 49.75003 4.032989  524.1058       84.10387 525.9200       
122.5092 522.4887       115.6672 49.81940 5.857216 49.68065 5.545540 0.1387558 
8.065978 
1 1 1 -13 -2  18 o 134.6626 3.384562  3835.313       190.9100 3799.238       
278.8853 3867.125       261.8905 134.0328 4.956049 135.2924 4.610707 -1.259537 
6.769124 
1 1 1 -13 -2  19 o 120.0166 3.227098  3017.375       161.5387 2800.418       
214.0350 3304.521       246.2346 115.0798 4.430030 124.9534 4.693772 -9.873581 
6.454197 
1 1 1 -13 -2  20 o 188.6365 4.345895  7600.037       344.1374 7437.594       
483.7605 7766.467       489.6607 186.5803 6.175694 190.6927 6.116209 -4.112381 
8.691790 
1 1 1 -13 -2  21 o 70.54671 3.261157  1057.605       96.54494 1041.012       
137.9309 1073.544       135.1810 69.98903 4.694104 71.10440 4.528352 -1.115372 
6.522315 
1 1 1 -13 -2  22 o 130.8966 2.966630  3639.405       163.0280 3609.251       
230.3338 3669.675       230.7796 130.3484 4.208943 131.4449 4.181911 -1.096512 
5.933260 
1 1 1 -13 -2  23 o 111.9079 3.405045  2642.147       158.8184 2359.777       
209.9564 3019.820       242.8161 105.0404 4.760951 118.7754 4.869359 -13.73501 
6.810089 
1 1 1 -13 -2  24 o 93.08389 3.175430  1857.120       124.0944 1866.247       
175.5272 1848.000       175.4648 93.31701 4.480276 92.85078 4.501173 0.4662323 
6.350860 
1 1 1 -13 -2  25 o 50.89477 4.400827  596.9231       84.83295 356.2058       
119.3151 843.0145       120.6396 39.26150 7.506674 62.52804 4.595538 -23.26654 
8.801655 
1 1 1 -13 -2  26 o 19.63199 5.679448  47.30319       73.95274 48.42128       
112.4361 46.45068       98.17789 20.12752 8.277001 19.13646 7.779188 0.9910583 
11.35890 
1 1 1 -13 -2  27 o 129.7808 3.570999  3682.926       193.9938 3986.974       
288.1335 3430.820       262.3701 134.5958 5.098981 124.9659 5.000853 9.629959 
7.141998 
1 1 1 -13 -2  28 o 29.55272 6.203848  217.1958       82.25849 260.3732       
125.1175 184.3246       109.1688 31.90173 8.969367 27.20371 8.573296 4.698023 
12.40770 
1 1 1 -13 -2  29 o 27.49719 6.267421  196.0169       83.40108 162.9838       
121.7781 225.1971       114.4560 25.52736 9.047511 29.46701 8.675529 -3.939653 
12.53484 
1 1 1 -13 -2  30 o 24.05484 5.973870  133.6349       86.85492 -3.384317      
130.4431 242.7653       116.4135 18.13834 8.161597 29.97135 8.725641 -11.83301 
11.94774 
1 1 1 -13 -2  31 o 21.40645 6.196792  100.2169       92.58722 30.14157       
135.0286 162.4004       127.1981 18.79883 8.385738 24.01407 9.125804 -5.215246 
12.39358 
1 1 1 -13 -1  1  o 147.0525 4.471951  4517.952       272.2645 4749.160       
426.2057 4358.555       353.8823 150.1788 6.759768 143.9261 5.856528 6.252640 
8.943902 
1 1 1 -13 -1  2  o 191.4818 4.543898  7674.734       344.3029 7850.813       
599.8160 7588.208       420.4738 193.0204 7.401775 189.9432 5.272738 3.077194 
9.087796 
1 1 1 -13 -1  3  o 423.3376 9.366296  38091.18       1615.231 38132.89       
2621.840 38065.66       2050.584 422.8775 14.76769 423.7976 11.52498 
-0.9201050     18.73259 
1 1 1 -13 -1  4  o 69.77208 3.686836  1057.321       102.4651 909.1451       
167.6610 1145.658       129.4538 65.71740 6.076769 73.82676 4.176593 -8.109360 
7.373673 
1 1 1 -13 -1  5  o 193.6684 4.682355  7777.769       314.5523 8122.899       
679.9163 7683.786       354.8051 196.1678 8.255604 191.1690 4.420725 4.998795 
9.364711 
1 1 1 -13 -1  6  o 296.3243 7.226303  18405.62       788.8486 19014.45       
1556.540 18195.19       915.0676 298.9489 12.40179 293.6998 7.421140 5.249084 
14.45261 
1 1 1 -13 -1  7  f 333.0678 6.851381  22804.95       711.0262 24551.16       
1778.711 22472.85       775.6980 339.4461 12.48118 326.6895 5.655598 12.75656 
13.70276 
1 1 1 -13 -1  8  o 287.5220 6.130264  17031.46       403.8118 18056.50       
1435.103 16943.32       420.8145 291.1323 11.74123 283.9117 3.530437 7.220551 
12.26053 
1 1 1 -13 -1  9  o 74.37447 2.465868  1152.094       71.74058 1192.520       
128.1808 1133.656       86.56927 75.29627 4.054812 73.45267 2.807225 1.843605 
4.931736 
1 1 1 -13 -1  10 o 208.0945 3.343195  9084.271       230.3842 9174.840       
525.7742 9062.749       256.2995 208.5342 6.005416 207.6548 2.939861 0.8793945 
6.686389 
1 1 1 -13 -1  11 o 67.52504 2.369785  978.7225       65.22192 865.2487       
101.9608 1057.312       84.85319 64.12666 3.787178 70.92342 2.849703 -6.796768 
4.739570 
1 1 1 -13 -1  12 o 138.8093 2.608990  4063.834       147.2157 4020.289       
239.6969 4090.208       186.5449 138.1653 4.132230 139.4533 3.186219 -1.287964 
5.217980 
1 1 1 -13 -1  13 o 123.3484 2.232122  3181.573       108.8850 3258.408       
189.9908 3143.994       132.8707 124.4060 3.637578 122.2908 2.587954 2.115204 
4.464245 
1 1 1 -13 -1  14 o 210.6445 2.844794  9410.397       248.8503 8914.707       
375.0525 9800.254       332.6124 205.5867 4.345284 215.7023 3.672862 -10.11566 
5.689588 
1 1 1 -13 -1  15 o 57.15231 2.495272  664.4882       58.66299 810.2029       
95.37886 575.8257       74.39951 62.01209 3.663505 52.29254 3.388843 9.719551 
4.990544 
1 1 1 -13 -1  16 o 40.50712 4.496540  345.2059       76.07878 378.2552       
114.9194 319.4205       101.5078 42.20938 6.484932 38.80486 6.230662 3.404522 
8.993080 
1 1 1 -13 -1  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 -1  18 o 74.82641 3.001694  1178.833       94.06962 1218.774       
138.8018 1144.904       127.9312 75.98600 4.350934 73.66682 4.136430 2.319183 
6.003388 
1 1 1 -13 -1  19 o 86.12430 3.103482  1549.430       110.7379 1676.442       
173.7471 1462.539       143.7084 89.02680 4.648555 83.22179 4.113070 5.805008 
6.206964 
1 1 1 -13 -1  20 o 64.47215 3.247334  879.4184       87.80701 907.0272       
127.7470 854.6931       120.8920 65.42236 4.650993 63.52194 4.533097 1.900421 
6.494668 
1 1 1 -13 -1  21 o 110.6542 3.148916  2597.411       146.2578 2616.353       
209.2697 2579.323       204.4925 111.0390 4.489022 110.2693 4.417166 0.7697449 
6.297831 
1 1 1 -13 -1  22 o 38.58100 5.101410  339.3801       79.13937 247.7555       
116.2838 418.4350       108.0133 32.99305 8.376708 44.16895 5.824801 -11.17590 
10.20282 
1 1 1 -13 -1  23 o 149.2859 3.390872  4760.226       212.3036 4468.916       
296.8430 5065.273       303.7618 144.5593 4.891046 154.0125 4.697841 -9.453171 
6.781743 
1 1 1 -13 -1  24 o 81.15228 3.122361  1411.703       106.1233 1355.969       
153.4994 1462.734       146.8813 79.55138 4.596000 82.75317 4.227687 -3.201797 
6.244722 
1 1 1 -13 -1  25 o 22.44517 5.860892  79.52480       75.17017 160.8845       
117.2433 22.73634       97.95201 26.72406 8.909656 18.16628 7.616973 8.557777 
11.72178 
1 1 1 -13 -1  26 o 25.22133 6.178221  141.3233       79.40017 148.1015       
120.4226 136.1103       105.6079 25.75301 9.009867 24.68966 8.456001 1.063353 
12.35644 
1 1 1 -13 -1  27 o 60.87712 3.589345  814.7001       91.57697 782.6591       
131.5542 844.8235       127.5571 59.61821 5.255898 62.13604 4.889698 -2.517822 
7.178691 
1 1 1 -13 -1  28 o 36.91265 5.402712  331.9420       81.26691 288.5155       
124.5360 364.1492       107.2492 33.85243 8.712975 39.97287 6.390718 -6.120445 
10.80542 
1 1 1 -13 -1  29 o 73.00432 3.537293  1190.310       108.0018 1152.323       
158.0321 1223.602       147.9420 71.69360 5.250321 74.31503 4.741718 -2.621429 
7.074586 
1 1 1 -13 -1  30 o 27.14173 6.429093  198.0931       87.30779 165.3346       
132.2897 223.3723       116.2107 25.36517 9.382132 28.91829 8.792530 -3.553120 
12.85819 
1 1 1 -13 -1  31 o 35.23660 6.532203  343.5400       97.88429 469.3588       
155.0838 260.2268       126.1974 40.57492 9.298346 29.89828 9.177116 10.67664 
13.06441 
1 1 1 -13 0   1  o 92.20004 3.827457  1765.022       144.0418 1884.625       
236.1854 1694.193       181.7554 94.63544 5.944569 89.76465 4.822843 4.870789 
7.654914 
1 1 1 -13 0   2  o 80.73424 3.784593  1273.735       115.9040 1600.889       
227.5646 1159.142       134.6821 87.20847 6.215373 74.26001 4.319922 12.94846 
7.569187 
1 1 1 -13 0   3  o 130.7033 4.047151  3630.730       205.4070 3499.348       
365.3682 3691.444       248.3740 128.8952 6.751730 132.5114 4.464512 -3.616180 
8.094302 
1 1 1 -13 0   4  o 232.9117 5.770559  11315.08       515.0055 11768.99       
955.5748 11129.26       611.3995 235.9273 9.647339 229.8962 6.334530 6.031128 
11.54112 
1 1 1 -13 0   5  o 350.6794 7.399161  26062.17       1028.064 26005.93       
1774.431 26090.58       1261.335 349.8711 12.08014 351.4876 8.547546 -1.616516 
14.79832 
1 1 1 -13 0   6  o 218.3430 5.390781  10243.89       434.0020 9669.575       
836.2825 10455.58       507.7263 213.8007 9.316761 222.8854 5.425867 -9.084702 
10.78156 
1 1 1 -13 0   7  o 249.3943 6.841027  12335.94       319.2608 14149.20       
1436.853 12241.77       327.4462 257.4217 13.29500 241.3669 3.231345 16.05484 
13.68205 
1 1 1 -13 0   8  o 174.8553 3.744353  6203.895       170.4473 6740.878       
529.4520 6141.807       180.0317 178.7185 7.056317 170.9922 2.507805 7.726364 
7.488705 
1 1 1 -13 0   9  o 188.4126 3.691334  7269.832       232.4761 7822.052       
532.1757 7139.600       258.4393 192.5282 6.583876 184.2969 3.340115 8.231308 
7.382668 
1 1 1 -13 0   10 o 116.1595 2.647199  2726.552       113.1793 3070.763       
228.3949 2614.514       130.3032 120.7774 4.504244 111.5416 2.782525 9.235779 
5.294399 
1 1 1 -13 0   11 o 94.86887 2.213575  1921.318       86.76460 1669.147       
129.0585 2129.291       117.2038 89.08539 3.450651 100.6524 2.773567 -11.56696 
4.427151 
1 1 1 -13 0   12 o 73.94057 2.234272  1162.414       68.41951 1057.327       
102.7458 1246.141       91.71127 70.89166 3.452153 76.98949 2.837346 -6.097824 
4.468545 
1 1 1 -13 0   13 o 146.3502 2.250042  4484.436       130.7478 4572.311       
226.0706 4440.270       160.2716 147.3709 3.653871 145.3294 2.626782 2.041489 
4.500084 
1 1 1 -13 0   14 o 261.0888 3.164262  14435.43       296.8025 14274.89       
601.9478 14487.00       341.1565 259.7882 5.519001 262.3894 3.096909 -2.601196 
6.328525 
1 1 1 -13 0   15 o 35.12178 3.561962  253.3177       51.71430 306.3299       
82.36039 218.8132       66.44589 38.06337 5.153855 32.18018 4.918137 5.883186 
7.123924 
1 1 1 -13 0   16 o 33.41798 4.131134  233.3997       54.55019 420.3303       
85.40765 104.5997       70.89480 44.62172 4.559020 22.21423 6.890604 22.40749 
8.262268 
1 1 1 -13 0   17 o 140.9491 3.167837  4047.218       151.7417 4444.816       
341.2372 3949.218       169.4134 144.8977 5.609393 137.0004 2.945417 7.897293 
6.335674 
1 1 1 -13 0   18 o 74.32394 4.633593  1166.755       144.5857 0.000000       
0.000000 1166.755       144.5857 ?        ?        74.32394 4.633593 ? ? 
1 1 1 -13 0   19 o 105.7216 3.052027  2363.443       135.2150 2193.618       
190.8880 2534.465       191.5595 101.8832 4.462695 109.5601 4.164592 -7.676880 
6.104053 
1 1 1 -13 0   20 o 215.5752 4.277913  9834.492       378.1757 10235.25       
608.5533 9582.355       482.6954 218.8018 6.624738 212.3485 5.414334 6.453323 
8.555826 
1 1 1 -13 0   21 o 133.5238 3.537607  3788.086       198.1303 3724.608       
273.5094 3858.178       287.4038 132.3753 4.921373 134.6722 5.083182 -2.296890 
7.075214 
1 1 1 -13 0   22 o 39.43913 4.916265  341.5965       79.00330 407.8170       
114.2946 281.0082       109.3261 43.55510 6.250397 35.32315 7.590202 8.231949 
9.832529 
1 1 1 -13 0   23 o 36.85442 5.655310  313.0612       84.38836 279.6740       
128.7133 338.2327       111.7605 34.84870 8.792264 38.86014 7.115209 -4.011436 
11.31062 
1 1 1 -13 0   24 o 163.3113 3.457228  5734.529       236.4961 5489.054       
341.1912 5961.535       328.1045 159.7950 5.085758 166.8276 4.684523 -7.032593 
6.914455 
1 1 1 -13 0   25 o 45.46336 4.349140  450.8268       82.77717 480.6193       
122.8554 426.0566       112.0223 46.80066 6.252637 44.12607 6.046868 2.674583 
8.698280 
1 1 1 -13 0   26 o 53.31353 3.867031  618.8187       86.32970 681.0096       
126.9758 565.3588       117.7256 55.81193 5.418947 50.81512 5.518218 4.996803 
7.734062 
1 1 1 -13 0   27 o 31.32170 5.711737  235.1572       80.32401 344.9848       
115.1971 131.2326       112.0585 38.28098 7.432974 24.36241 8.674481 13.91857 
11.42347 
1 1 1 -13 0   28 o 40.41807 5.321975  392.8042       87.25397 319.1401       
126.5225 459.6113       120.4899 35.85083 8.520147 44.98531 6.379714 -9.134480 
10.64395 
1 1 1 -13 0   29 o 38.05217 5.288192  353.7415       89.35028 99.62724       
121.2698 655.5032       132.1510 22.35920 8.806763 53.74514 5.856689 -31.38594 
10.57638 
1 1 1 -13 0   30 o 40.12773 5.641121  405.4082       91.66511 378.7772       
127.4246 433.9698       131.9625 38.60490 8.118559 41.65055 7.834410 -3.045650 
11.28224 
1 1 1 -13 0   31 o 19.07024 5.840127  19.37798       88.81580 119.3926       
134.1263 -58.72239      118.5247 22.54772 9.120976 15.59276 7.296309 6.954965 
11.68025 
1 1 1 -13 0   32 f 25.18212 6.823935  183.9403       99.48607 247.7800       
157.5226 141.5793       128.3159 27.55109 10.22842 22.81314 9.035690 4.737955 
13.64787 
1 1 1 -13 1   1  o 168.1687 5.434175  5965.217       383.3460 5869.686       
550.9323 6054.879       533.7426 166.8458 7.865095 169.4915 7.500754 -2.645706 
10.86835 
1 1 1 -13 1   2  o 179.5421 4.950851  6819.595       351.4361 6706.474       
607.2650 6876.559       430.9314 178.3069 8.112061 180.7773 5.677868 -2.470413 
9.901703 
1 1 1 -13 1   3  o 516.5085 12.74573  57469.52       2627.195 57130.51       
4456.646 57650.09       3252.413 513.3610 20.67789 519.6561 14.90770 -6.295105 
25.49147 
1 1 1 -13 1   4  o 185.0727 5.344164  7324.235       394.9417 6884.479       
660.4727 7568.996       492.7411 180.5492 8.713254 189.5962 6.190279 -9.047028 
10.68833 
1 1 1 -13 1   5  o 149.1170 3.448331  4597.431       195.5309 4864.838       
369.1964 4493.186       230.5137 152.0183 5.784722 146.2157 3.755121 5.802673 
6.896662 
1 1 1 -13 1   6  o 218.2743 5.847420  10358.14       420.4020 9587.112       
944.0004 10548.89       469.5335 212.6312 10.57466 223.9174 4.994590 -11.28621 
11.69484 
1 1 1 -13 1   7  o 127.2471 3.314717  3135.402       111.8656 3768.905       
348.4874 3062.625       118.1166 133.7390 6.206548 120.7552 2.329839 12.98373 
6.629434 
1 1 1 -13 1   8  o 164.3575 3.527471  5429.103       164.9399 6042.759       
465.0698 5340.812       176.4069 169.2688 6.544284 159.4462 2.635255 9.822693 
7.054943 
1 1 1 -13 1   9  o 103.0616 2.581293  2048.091       94.57767 2590.029       
205.9671 1903.289       106.4658 110.9447 4.421933 95.17843 2.664357 15.76632 
5.162586 
1 1 1 -13 1   10 o 259.4100 5.149162  14037.51       470.5451 14590.28       
993.4072 13877.61       534.2832 262.1439 9.026276 256.6761 4.958007 5.467834 
10.29832 
1 1 1 -13 1   11 o 133.9422 2.519060  3790.664       137.4409 3702.685       
221.8814 3845.438       175.0732 132.6412 3.984407 135.2432 3.083366 -2.602066 
5.038119 
1 1 1 -13 1   12 o 63.70245 2.319757  821.7979       60.74487 1019.589       
98.98065 702.2941       76.93745 69.61828 3.386477 57.78663 3.171257 11.83165 
4.639515 
1 1 1 -13 1   13 o 41.74474 3.091929  360.6021       53.38052 405.5138       
84.72208 331.0355       68.74139 43.85150 4.601858 39.63799 4.130739 4.213512 
6.183858 
1 1 1 -13 1   14 o 64.94116 2.372906  860.4777       61.87410 979.6985       
106.8941 800.4055       75.87779 68.19860 3.733355 61.68372 2.929983 6.514877 
4.745813 
1 1 1 -13 1   15 o 138.6072 2.286692  3978.249       124.0696 4226.224       
222.6900 3866.628       149.4061 141.6215 3.745353 135.5930 2.624533 6.028442 
4.573384 
1 1 1 -13 1   16 o 192.1695 3.193556  7757.592       248.6718 7938.631       
411.4219 7653.385       312.1408 193.7924 5.056753 190.5465 3.901850 3.245865 
6.387111 
1 1 1 -13 1   17 o 175.0854 2.950249  6508.325       201.1685 6348.629       
356.9354 6582.666       243.5311 173.3446 4.904564 176.8262 3.280415 -3.481659 
5.900498 
1 1 1 -13 1   18 o 252.7607 3.673375  13505.82       379.7739 13549.61       
610.4393 13478.17       485.0786 252.8787 5.749780 252.6427 4.573266 0.2360382 
7.346750 
1 1 1 -13 1   19 o 95.38463 2.992154  1918.156       119.7311 1828.798       
165.7825 2015.584       173.1054 93.06454 4.243024 97.70472 4.220036 -4.640175 
5.984309 
1 1 1 -13 1   20 o 88.72036 4.599985  1666.533       171.3400 1666.533       
171.3400 0.000000       0.000000 88.72036 4.599985 ?        ?        ? ? 
1 1 1 -13 1   21 o 53.87267 3.919000  617.1975       88.42252 638.4405       
130.4907 599.1626       120.2346 54.70695 5.681437 53.03838 5.399584 1.668575 
7.837999 
1 1 1 -13 1   22 o 155.4554 3.173862  5131.757       206.5547 5162.539       
304.1602 5105.410       281.3914 155.8204 4.649422 155.0903 4.321629 0.7301788 
6.347723 
1 1 1 -13 1   23 o 39.99645 4.858751  344.4092       78.90262 430.4678       
121.5182 281.6804       103.7474 44.61417 6.487679 35.37873 7.234629 9.235443 
9.717502 
1 1 1 -13 1   24 o 126.0859 3.131139  3392.066       165.6629 3524.405       
238.6919 3269.073       230.1093 128.4573 4.425884 123.7145 4.430314 4.742752 
6.262279 
1 1 1 -13 1   25 o 39.12052 5.334928  332.1506       84.78110 486.9000       
133.8944 228.5822       109.5372 46.97306 6.789453 31.26798 8.230988 15.70508 
10.66986 
1 1 1 -13 1   26 o 67.11832 3.410074  984.2907       95.06098 892.5904       
140.5974 1061.511       129.0205 64.03156 5.230030 70.20507 4.377352 -6.173515 
6.820148 
1 1 1 -13 1   27 o 18.51683 5.575217  18.52810       75.76961 37.72890       
113.4099 3.047684       101.8316 19.65529 8.216043 17.37837 7.538490 2.276917 
11.15043 
1 1 1 -13 1   28 o 36.09404 5.580926  332.6670       86.15517 177.1185       
128.9639 458.0438       115.7828 27.08263 9.338317 45.10546 6.114147 -18.02283 
11.16185 
1 1 1 -13 1   29 o 66.25327 3.765553  984.5649       104.2713 908.9230       
150.0701 1055.167       144.9850 63.55124 5.624595 68.95529 5.008142 -5.404049 
7.531106 
1 1 1 -13 1   30 o 43.15883 5.328107  457.9627       92.85392 423.1125       
139.5522 485.6486       124.3835 40.71905 8.446310 45.59861 6.497287 -4.879566 
10.65621 
1 1 1 -13 1   31 o 32.52621 6.467902  294.9247       93.95701 230.8575       
131.3938 361.9649       134.4080 28.57094 9.432013 36.48148 8.852805 -7.910543 
12.93580 
1 1 1 -13 1   32 o 17.93769 5.754786  6.086594       94.10960 21.33081       
137.8062 -7.236181      128.8290 18.56166 8.368390 17.31371 7.901917 1.247952 
11.50957 
1 1 1 -13 2   1  o 166.3484 5.545083  5805.483       379.3336 5984.988       
604.4608 5688.860       487.2179 168.3856 8.550356 164.3112 7.062803 4.074432 
11.09017 
1 1 1 -13 2   2  o 259.9095 5.594054  14335.34       595.9639 13838.07       
942.8416 14666.22       769.0927 255.9889 8.772810 263.8300 6.943454 -7.841141 
11.18811 
1 1 1 -13 2   3  o 69.13089 4.060296  985.4233       109.9352 1062.218       
197.7621 951.0790       132.2526 71.01007 6.633523 67.25172 4.684055 3.758354 
8.120591 
1 1 1 -13 2   4  o 172.2383 5.190615  6271.544       346.9409 6212.789       
622.0698 6298.072       417.9866 171.5028 8.639507 172.9738 5.755767 -1.470963 
10.38123 
1 1 1 -13 2   5  o 157.8738 3.338834  5270.553       205.7634 5165.019       
364.0922 5320.076       249.4118 156.6484 5.536132 159.0992 3.733965 -2.450775 
6.677669 
1 1 1 -13 2   6  o 279.6785 6.864700  16172.14       518.5934 17088.54       
1530.991 16053.37       551.1771 283.1107 12.88064 276.2463 4.752430 6.864380 
13.72940 
1 1 1 -13 2   7  o 259.3175 6.553885  13946.48       331.3111 14576.84       
1395.931 13908.85       341.0563 261.3589 12.72178 257.2761 3.157531 4.082733 
13.10777 
1 1 1 -13 2   8  o 181.5090 5.215521  6687.967       247.4712 7311.323       
765.4528 6615.208       261.5155 185.6210 9.822279 177.3969 3.511337 8.224152 
10.43104 
1 1 1 -13 2   9  o 81.89421 2.515044  1405.432       77.56663 1420.648       
147.2077 1399.584       91.26396 82.17140 4.267082 81.61701 2.663420 0.5543900 
5.030089 
1 1 1 -13 2   10 o 159.8701 3.055862  5287.014       166.9609 5539.731       
368.6942 5221.821       187.2621 162.1105 5.417219 157.6297 2.829650 4.480728 
6.111724 
1 1 1 -13 2   11 o 237.6241 2.805190  11926.04       254.1535 11781.70       
469.7592 11985.77       302.2025 236.4749 4.731637 238.7732 3.014627 -2.298325 
5.610380 
1 1 1 -13 2   12 o 43.96503 3.029266  405.1255       54.85008 417.4774       
87.01070 396.9803       70.65723 44.50455 4.656818 43.42551 3.875545 1.079044 
6.058531 
1 1 1 -13 2   13 o 139.6483 2.164649  3985.578       114.5351 4372.441       
219.3558 3840.573       134.2956 144.1177 3.625374 135.1790 2.366321 8.938766 
4.329297 
1 1 1 -13 2   14 o 81.83651 2.247145  1390.949       76.20743 1520.399       
119.6462 1302.582       98.85343 84.98688 3.353265 78.68614 2.992365 6.300735 
4.494289 
1 1 1 -13 2   15 o 101.7389 2.303366  2194.412       96.70919 2090.218       
149.3366 2269.669       126.9170 99.61494 3.570779 103.8629 2.910588 -4.247917 
4.606733 
1 1 1 -13 2   16 o 118.9073 2.346725  2925.782       109.1037 3116.741       
196.3737 2840.517       131.2202 121.6042 3.846412 116.2104 2.689533 5.393829 
4.693450 
1 1 1 -13 2   17 o 28.91428 4.646435  177.5628       54.43412 227.7847       
87.02937 145.2900       69.76501 32.16297 6.669000 25.66560 6.471621 6.497372 
9.292871 
1 1 1 -13 2   18 o 127.2579 2.076370  3406.493       104.2569 3411.557       
181.7418 3404.009       127.2825 127.2757 3.401187 127.2401 2.382681 
0.3559113E-01  4.152740 
1 1 1 -13 2   19 o 75.84978 2.450889  1193.049       75.89056 1293.080       
124.7395 1134.265       95.62384 78.30498 3.794335 73.39459 3.103296 4.910385 
4.901777 
1 1 1 -13 2   20 o 46.21939 4.733270  465.4827       87.33234 597.7842       
126.2176 343.9674       120.9631 53.02720 5.669466 39.41159 7.581063 13.61561 
9.466539 
1 1 1 -13 2   21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 2   22 o 61.45894 3.398599  803.9502       87.46516 731.1203       
122.6226 879.3832       124.7948 58.59315 4.984766 64.32473 4.621039 -5.731583 
6.797198 
1 1 1 -13 2   23 o 148.4544 3.560798  4679.766       220.7729 4978.062       
333.1532 4446.206       294.7940 152.5604 5.201435 144.3484 4.864382 8.212021 
7.121597 
1 1 1 -13 2   24 o 28.27764 5.860258  174.2740       79.60703 269.2645       
113.7996 83.24471       111.4015 34.23431 8.044992 22.32097 8.523413 11.91334 
11.72052 
1 1 1 -13 2   25 o 91.90427 3.026195  1814.370       115.9780 1743.866       
172.3036 1872.774       156.8226 90.14957 4.552520 93.65896 3.988231 -3.509384 
6.052390 
1 1 1 -13 2   26 o 43.87138 4.877582  446.2285       83.42597 285.0335       
117.2273 611.6432       118.7518 34.74159 8.165934 53.00116 5.336736 -18.25957 
9.755164 
1 1 1 -13 2   27 o 22.84471 5.939386  103.7394       77.35815 52.98668       
114.3931 146.5077       105.0101 20.43567 8.366961 25.25375 8.432034 -4.818079 
11.87877 
1 1 1 -13 2   28 o 43.35717 4.890844  429.8588       88.69958 432.8871       
131.1682 427.3070       120.4024 43.34390 7.208116 43.37043 6.612450 
-0.2653122E-01 9.781688 
1 1 1 -13 2   29 o 28.77362 6.142249  209.8685       88.20097 96.86483       
131.8520 301.3888       118.6586 22.75894 9.110518 34.78831 8.240591 -12.02937 
12.28450 
1 1 1 -13 2   30 o 21.43868 6.261445  71.71501       93.63322 17.89174       
137.3640 118.4278       127.9693 19.60064 8.627670 23.27672 9.076678 -3.676083 
12.52289 
1 1 1 -13 2   31 o 41.93132 5.554034  457.9083       93.39716 312.4407       
134.6253 592.8860       129.6805 33.61897 9.251738 50.24367 6.147724 -16.62470 
11.10807 
1 1 1 -13 2   32 o 20.81092 6.260183  85.43336       96.73336 51.26639       
142.7993 114.4077       131.5013 19.79474 8.745732 21.82709 8.959449 -2.032349 
12.52037 
1 1 1 -13 3   1  o 140.7043 4.164127  4186.048       237.1331 4097.061       
389.1427 4238.610       299.0769 139.4556 6.646516 141.9530 5.018331 -2.497452 
8.328254 
1 1 1 -13 3   2  o 131.0231 3.542157  3662.834       190.6089 3331.258       
294.4084 3902.121       250.1020 125.8127 5.573742 136.2335 4.372746 -10.42083 
7.084315 
1 1 1 -13 3   3  o 238.2115 5.179981  12070.02       497.0611 11586.13       
820.2001 12350.90       624.8834 234.2460 8.340050 242.1770 6.145925 -7.930954 
10.35996 
1 1 1 -13 3   4  o 127.4926 3.563824  3425.027       180.1163 3403.500       
310.4649 3435.949       221.1346 127.1430 5.816227 127.8422 4.120059 
-0.6992950     7.127649 
1 1 1 -13 3   5  o 122.6291 3.143799  3216.130       154.5039 2975.144       
255.2611 3355.466       194.0970 118.9060 5.113309 126.3521 3.658956 -7.446144 
6.287599 
1 1 1 -13 3   6  o 231.9174 5.059642  10851.26       295.9421 11983.58       
955.9383 10731.24       311.2322 237.8549 9.572797 225.9799 3.280468 11.87503 
10.11928 
1 1 1 -13 3   7  o 71.60152 3.256302  1044.569       83.93880 1145.307       
174.0860 1014.054       95.81196 73.73981 5.623192 69.46324 3.285381 4.276566 
6.512605 
1 1 1 -13 3   8  o 119.5793 2.812194  3046.407       113.5062 2941.355       
249.7882 3073.744       127.4215 118.1965 5.033712 120.9620 2.509082 -2.765518 
5.624389 
1 1 1 -13 3   9  o 229.8870 4.100523  10632.52       285.5441 11895.30       
747.3030 10416.64       308.9899 237.1724 7.505051 222.6015 3.306262 14.57091 
8.201046 
1 1 1 -13 3   10 o 118.1388 2.482907  2872.055       112.0796 3086.945       
210.6592 2787.210       132.3695 121.1127 4.142969 115.1649 2.737720 5.947876 
4.965814 
1 1 1 -13 3   11 f 107.8305 2.103210  2460.131       91.95103 2382.881       
149.8501 2506.784       116.4524 106.4423 3.353236 109.2188 2.539641 -2.776497 
4.206420 
1 1 1 -13 3   12 o 290.6517 4.388983  17830.37       490.4316 17951.40       
897.3493 17778.82       585.6340 290.9247 7.346865 290.3787 4.803774 0.5459290 
8.777966 
1 1 1 -13 3   13 o 110.6390 2.385534  2554.893       106.9108 2655.633       
177.6974 2497.740       133.8454 112.3000 3.768968 108.9781 2.925399 3.321854 
4.771067 
1 1 1 -13 3   14 f 121.1102 2.179344  3059.109       106.2795 3181.420       
179.1449 2992.681       132.0225 122.9233 3.471292 119.2971 2.635964 3.626274 
4.358689 
1 1 1 -13 3   15 o 206.0491 3.268736  8951.663       270.9617 9006.920       
453.9334 8921.075       337.7306 206.3737 5.239126 205.7246 3.910257 0.6491089 
6.537473 
1 1 1 -13 3   16 o 121.9461 2.549400  3113.271       123.6042 3193.221       
213.4150 3072.915       151.6235 123.0493 4.131112 120.8429 2.988590 2.206375 
5.098800 
1 1 1 -13 3   17 o 161.3712 2.402323  5476.837       154.0516 5503.813       
264.9491 5463.059       189.3478 161.5906 3.905417 161.1519 2.798634 0.4387360 
4.804646 
1 1 1 -13 3   18 o 158.5305 2.635575  5249.875       160.1975 5410.177       
296.3215 5183.675       190.4242 160.1024 4.408453 156.9586 2.889734 3.143814 
5.271151 
1 1 1 -13 3   19 o 216.1968 3.680916  9838.199       314.5699 10068.97       
548.9427 9725.365       383.8453 217.7686 6.004167 214.6250 4.259877 3.143661 
7.361832 
1 1 1 -13 3   20 o 100.6330 2.391629  2151.980       98.05618 2064.155       
157.4010 2207.682       125.3522 98.88443 3.791409 102.3816 2.916293 -3.497162 
4.783257 
1 1 1 -13 3   21 o 151.6952 3.125783  4535.753       134.8159 5356.369       
384.9821 4421.054       143.9296 158.4624 5.786761 144.9280 2.365479 13.53438 
6.251567 
1 1 1 -13 3   22 o 50.30574 5.654449  540.9716       119.4227 0.000000       
0.000000 540.9716       119.4227 ?        ?        50.30574 5.654449 ? ? 
1 1 1 -13 3   23 o 33.78775 5.592907  259.7349       77.86474 252.4138       
114.2029 266.0946       106.4411 33.27595 8.213627 34.29955 7.593339 -1.023605 
11.18581 
1 1 1 -13 3   24 o 34.44187 5.393547  263.7701       78.52142 362.4620       
115.3733 178.6108       107.1718 40.78375 6.738128 28.09998 8.423718 12.68377 
10.78709 
1 1 1 -13 3   25 o 68.22683 3.374926  998.6105       96.57305 1039.404       
140.5096 962.0871       132.9533 69.53163 4.813319 66.92203 4.732069 2.609604 
6.749853 
1 1 1 -13 3   26 o 99.67384 3.140046  2138.974       131.2180 2118.984       
190.0894 2157.171       181.3589 99.15860 4.566134 100.1891 4.311610 -1.030479 
6.280093 
1 1 1 -13 3   27 o 50.94947 4.106858  578.2911       86.91455 501.1349       
125.4261 649.5650       120.5503 47.42835 6.298992 54.47059 5.271415 -7.042236 
8.213716 
1 1 1 -13 3   28 o 67.69228 3.948496  1013.463       110.0350 1034.524       
173.9125 999.4035       142.0917 67.92391 6.098585 67.46063 5.016946 0.4632797 
7.896992 
1 1 1 -13 3   29 o 68.00015 3.854554  1043.936       107.1199 975.4207       
168.2856 1090.607       138.8918 65.57681 6.112485 70.42351 4.697644 -4.846703 
7.709107 
1 1 1 -13 3   30 o 19.15204 5.842378  26.29712       86.57730 -7.293257      
126.3992 55.98431       118.8287 18.17366 8.109932 20.13042 8.412046 -1.956766 
11.68476 
1 1 1 -13 3   31 o 31.03925 6.720391  269.0270       96.72335 234.1055       
139.1395 301.6832       134.5508 28.95597 9.706041 33.12253 9.297709 -4.166561 
13.44078 
1 1 1 -13 3   32 o 56.52607 4.648666  790.8137       108.6745 716.1948       
161.4471 852.6348       146.9516 53.21120 7.226836 59.84094 5.849206 -6.629738 
9.297332 
1 1 1 -13 4   1  o 123.6790 3.868930  3161.702       187.7439 3380.554       
335.9891 3062.347       226.3841 126.6813 6.317333 120.6768 4.468309 6.004509 
7.737860 
1 1 1 -13 4   2  o 203.9631 5.648736  8828.979       453.5756 8645.932       
789.2718 8919.240       554.2352 202.1724 9.298776 205.7538 6.416045 -3.581375 
11.29747 
1 1 1 -13 4   3  o 149.6257 4.471001  4657.130       252.2408 4852.227       
481.1370 4583.185       296.2108 151.6435 7.557289 147.6079 4.779830 4.035599 
8.942001 
1 1 1 -13 4   4  o 418.1946 12.52898  37155.10       1750.136 38880.11       
3959.542 36736.26       1951.071 420.4991 22.42854 415.8900 11.17418 4.609039 
25.05796 
1 1 1 -13 4   5  o 254.0315 7.173374  13730.75       682.4468 13579.51       
1297.883 13788.54       802.3135 252.4769 12.24433 255.5862 7.477006 -3.109344 
14.34675 
1 1 1 -13 4   6  o 174.9034 4.155368  6295.726       242.9780 6694.259       
554.4797 6201.008       270.3141 178.0615 7.417145 171.7453 3.748908 6.316162 
8.310737 
1 1 1 -13 4   7  o 304.3932 6.213299  19126.98       556.7940 20324.86       
1488.022 18931.96       600.4112 308.8612 11.47538 299.9251 4.768228 8.936096 
12.42660 
1 1 1 -13 4   8  o 96.63062 2.318933  1995.500       91.65195 1800.930       
142.9150 2131.421       119.4494 92.54616 3.678243 100.7151 2.824948 -8.168922 
4.637866 
1 1 1 -13 4   9  o 172.4822 2.967196  6242.858       170.9894 6289.005       
385.5164 6231.556       190.7815 172.7516 5.315470 172.2128 2.638712 0.5388641 
5.934393 
1 1 1 -13 4   10 o 84.99666 2.576456  1475.046       83.42796 1625.648       
158.4764 1417.307       98.12588 87.87587 4.295522 82.11744 2.846225 5.758430 
5.152913 
1 1 1 -13 4   11 o 90.11577 1.927993  1698.117       69.93600 1737.777       
117.5448 1676.385       87.01262 90.90984 3.079736 89.32171 2.320312 1.588127 
3.855985 
1 1 1 -13 4   12 o 74.24600 2.291990  1166.515       70.20788 1120.398       
108.7840 1199.436       91.91256 72.96530 3.551157 75.52671 2.898647 -2.561409 
4.583980 
1 1 1 -13 4   13 o 147.4303 2.224267  4535.906       129.7046 4682.890       
226.6826 4464.360       158.1524 149.1381 3.620350 145.7225 2.585057 3.415619 
4.448534 
1 1 1 -13 4   14 o 123.8866 2.081085  3238.261       104.5812 3192.016       
171.0206 3265.884       132.1746 123.1424 3.307973 124.6308 2.526060 -1.488487 
4.162170 
1 1 1 -13 4   15 o 77.43433 2.122801  1263.439       68.39210 1249.065       
103.5980 1274.542       91.05372 77.03031 3.203398 77.83836 2.786282 
-0.8080444     4.245601 
1 1 1 -13 4   16 o 82.84050 2.260170  1456.925       77.31816 1370.157       
118.6688 1520.929       101.9209 80.65570 3.504471 85.02529 2.855199 -4.369591 
4.520340 
1 1 1 -13 4   17 o 97.41288 2.275510  1994.968       89.91225 2007.470       
147.8096 1987.624       113.2811 97.62009 3.606489 97.20567 2.775792 0.4144135 
4.551020 
1 1 1 -13 4   18 o 124.6977 2.432500  3231.198       119.1624 3398.660       
211.9377 3153.786       144.0959 126.9589 3.976181 122.4365 2.803250 4.522415 
4.865000 
1 1 1 -13 4   19 o 18.33797 5.102349  38.07936       56.60022 61.44761       
91.36621 23.52663       72.10160 20.24141 7.722000 16.43452 6.671324 3.806887 
10.20470 
1 1 1 -13 4   20 o 145.7674 3.038723  4458.392       176.2632 4599.743       
304.1007 4386.878       216.3041 147.3326 4.916313 144.2021 3.572844 3.130478 
6.077446 
1 1 1 -13 4   21 o 108.3768 2.559029  2422.430       110.0148 2658.850       
193.6913 2309.831       133.6697 112.0885 4.115952 104.6650 3.041952 7.423409 
5.118059 
1 1 1 -13 4   22 o 21.87093 5.298080  86.90857       58.66967 137.8404       
93.50156 53.83306       75.34903 25.22988 7.930927 18.51199 7.027019 6.717888 
10.59616 
1 1 1 -13 4   23 o 53.18207 3.982321  610.6183       88.12748 567.6277       
130.6652 646.4931       119.3625 51.36486 6.059193 54.99928 5.169302 -3.634422 
7.964641 
1 1 1 -13 4   24 o 43.75805 6.695506  416.8344       123.0043 416.8344       
123.0043 0.000000       0.000000 43.75805 6.695506 ?        ?        ? ? 
1 1 1 -13 4   25 o 18.67883 5.675162  6.041040       79.52302 0.6129966      
121.7744 10.07702       105.0048 19.11708 8.267479 18.24058 7.776803 0.8764954 
11.35032 
1 1 1 -13 4   26 o 62.76986 3.504340  853.8541       91.98661 764.4167       
129.4150 945.1786       130.7730 59.35023 5.193778 66.18948 4.705982 -6.839241 
7.008680 
1 1 1 -13 4   27 o 54.65983 4.223054  675.6246       93.99276 508.6945       
135.4954 830.4659       130.4971 47.59670 6.780612 61.72296 5.035877 -14.12626 
8.446109 
1 1 1 -13 4   28 o 77.67313 3.615340  1328.884       117.0290 1299.631       
175.1301 1352.487       157.3086 76.66799 5.440864 78.67826 4.762323 -2.010269 
7.230679 
1 1 1 -13 4   29 o 53.13439 4.455391  626.8138       97.67747 728.7567       
156.7210 562.0610       124.9045 56.36497 6.622759 49.90382 5.961637 6.461151 
8.910783 
1 1 1 -13 4   30 o 40.41637 5.774294  409.1304       94.46651 389.5646       
136.8315 426.9490       130.5794 39.14253 8.561830 41.69021 7.750159 -2.547684 
11.54859 
1 1 1 -13 4   31 o 57.77859 4.253130  761.5632       102.2611 893.0873       
157.4173 665.5355       134.5079 61.98784 6.048770 53.56933 5.980707 8.418510 
8.506261 
1 1 1 -13 4   32 o 51.40857 5.240965  678.2115       102.2194 409.2867       
141.1459 974.8268       148.2346 38.23418 8.943281 64.58297 5.467046 -26.34879 
10.48193 
1 1 1 -13 5   1  o 139.4167 3.750903  4091.631       211.9669 4089.591       
348.4724 4092.830       267.0527 139.3401 5.956806 139.4934 4.559995 
-0.1533508     7.501806 
1 1 1 -13 5   2  o 200.9931 5.987809  8575.657       439.0308 8465.158       
869.7117 8613.445       508.5872 199.7735 10.36952 202.2128 5.990704 -2.439346 
11.97562 
1 1 1 -13 5   3  o 39.58329 5.779907  380.3065       90.72811 202.2671       
150.2053 482.5775       113.8422 31.29586 10.07689 47.87072 5.664407 -16.57486 
11.55981 
1 1 1 -13 5   4  o 271.6356 5.503952  15465.98       549.4404 15833.82       
1086.311 15339.53       636.9148 273.3870 9.464493 269.8841 5.621149 3.502838 
11.00790 
1 1 1 -13 5   5  o 91.00142 3.553483  1791.464       116.5376 1648.377       
230.9708 1840.330       134.9784 88.43042 6.221232 93.57243 3.435876 -5.142006 
7.106966 
1 1 1 -13 5   6  o 93.70290 3.164341  1900.820       98.27866 1760.465       
219.1453 1936.155       109.9558 91.40793 5.710437 95.99786 2.728210 -4.589928 
6.328683 
1 1 1 -13 5   7  o 92.16512 3.320978  1654.311       101.0292 2010.190       
241.7697 1579.021       111.2038 97.64976 5.897280 86.68047 3.055760 10.96928 
6.641956 
1 1 1 -13 5   8  o 234.0336 4.063225  11532.39       326.4874 11576.08       
708.6527 11520.62       367.8534 234.0183 7.212813 234.0489 3.743598 
-0.3057861E-01 8.126451 
1 1 1 -13 5   9  o 137.1212 2.976648  3949.558       149.2919 3972.884       
296.1984 3941.613       172.8539 137.3046 5.138292 136.9378 3.006608 0.3667450 
5.953297 
1 1 1 -13 5   10 o 23.35914 5.181419  106.2796       52.29276 137.9173       
98.31330 93.79730       61.75282 25.68616 8.140652 21.03212 6.412349 4.654034 
10.36284 
1 1 1 -13 5   11 o 55.07487 2.735035  637.7336       62.07015 642.4239       
97.78566 634.5685       80.32771 55.22995 4.217175 54.91979 3.483835 0.3101654 
5.470070 
1 1 1 -13 5   12 o 65.63239 2.503072  918.6680       67.31437 846.2643       
105.1269 968.9832       87.63614 63.39039 3.950130 67.87440 3.075377 -4.484005 
5.006143 
1 1 1 -13 5   13 o 95.90214 1.992971  1944.814       78.36053 1883.909       
124.0417 1985.262       101.0855 94.62554 3.122341 97.17873 2.477643 -2.553192 
3.985941 
1 1 1 -13 5   14 o 119.6554 2.129807  3039.313       100.9823 2930.375       
172.8372 3095.774       124.4291 117.9650 3.489836 121.3458 2.442408 -3.380821 
4.259614 
1 1 1 -13 5   15 o 170.7849 2.540799  6090.604       163.2145 6265.923       
311.6241 6024.331       191.5957 172.3320 4.307112 169.2378 2.696557 3.094254 
5.081598 
1 1 1 -13 5   16 o 114.5018 2.305293  2752.603       106.4264 2786.916       
177.7254 2733.420       132.8867 115.0114 3.680692 113.9922 2.776692 1.019249 
4.610587 
1 1 1 -13 5   17 o 150.3221 2.592390  4767.444       148.0150 4744.769       
275.8186 4776.615       175.4123 149.9541 4.381131 150.6900 2.772659 
-0.7359009     5.184781 
1 1 1 -13 5   18 o 67.62109 2.591126  981.4814       71.75268 868.7389       
110.7084 1063.144       94.22104 64.17708 4.108863 71.06512 3.158003 -6.888039 
5.182252 
1 1 1 -13 5   19 o 21.18191 5.253330  72.28492       58.05882 132.7795       
94.10078 35.10188       73.77471 25.07220 7.966196 17.29163 6.850520 7.780573 
10.50666 
1 1 1 -13 5   20 o 69.71886 2.773257  1009.954       79.21652 1100.751       
129.0286 955.0258       100.3568 72.15526 4.259307 67.28247 3.552762 4.872787 
5.546514 
1 1 1 -13 5   21 o 118.8448 2.648712  2912.954       123.6660 3188.472       
221.8123 2788.687       148.9665 122.6951 4.306054 114.9946 3.085548 7.700554 
5.297424 
1 1 1 -13 5   22 f 105.7434 2.343787  2370.406       101.2200 2324.663       
162.4155 2399.455       129.4291 104.8273 3.690406 106.6594 2.890372 -1.832077 
4.687573 
1 1 1 -13 5   23 o 49.40459 3.224920  509.9612       65.42532 564.8759       
106.1164 476.2859       83.09866 51.45543 4.912156 47.35375 4.179850 4.101677 
6.449839 
1 1 1 -13 5   24 o 57.14889 3.870167  682.6414       91.03789 907.5795       
141.3526 523.2023       119.0061 65.04023 5.176578 49.25754 5.754634 15.78269 
7.740334 
1 1 1 -13 5   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 5   26 o 49.21841 4.170116  528.4561       85.56337 618.9818       
124.9012 448.4066       117.4518 53.28130 5.583583 45.15553 6.195407 8.125771 
8.340232 
1 1 1 -13 5   27 o 71.87944 3.539761  1124.961       106.6969 1131.495       
154.8191 1119.049       147.2496 72.01810 5.120401 71.74078 4.888878 0.2773209 
7.079523 
1 1 1 -13 5   28 o 34.61761 6.334197  302.6155       92.92873 260.3964       
144.6308 332.3000       121.2748 32.08210 9.819856 37.15313 8.003662 -5.071033 
12.66839 
1 1 1 -13 5   29 o 63.45717 3.918703  885.0002       103.4912 1016.850       
159.6799 789.5006       135.8972 67.39620 5.643334 59.51814 5.438538 7.878059 
7.837405 
1 1 1 -13 5   30 o 42.31570 5.905837  444.9659       99.90085 471.4627       
155.5666 426.3704       130.3238 42.91704 8.929489 41.71436 7.731742 1.202675 
11.81167 
1 1 1 -13 5   31 o 90.71504 4.268014  1936.713       155.9409 1777.641       
251.0816 2036.605       198.9677 86.26216 6.932910 95.16792 4.979814 -8.905762 
8.536029 
1 1 1 -13 5   32 o 21.88969 6.216237  105.2619       90.55270 40.46203       
131.3159 164.0127       125.0365 19.27641 8.460513 24.50297 9.109672 -5.226559 
12.43247 
1 1 1 -13 5   33 o 21.51588 6.282292  111.3449       92.74983 84.62753       
134.7620 135.3908       127.8471 20.51789 8.780833 22.51387 8.986977 -1.995981 
12.56458 
1 1 1 -13 6   1  o 160.4066 4.197680  5517.687       264.2321 5145.023       
456.6422 5705.271       323.9797 156.1484 6.965619 164.6648 4.686388 -8.516403 
8.395360 
1 1 1 -13 6   2  o 28.72365 6.499663  170.0454       86.86182 167.2065       
142.2011 171.7351       109.7079 29.07893 9.812243 28.36837 8.526569 0.7105579 
12.99933 
1 1 1 -13 6   3  o 185.1234 4.547496  7207.187       332.4331 7284.538       
579.7552 7169.298       405.7656 185.7201 7.435443 184.5266 5.237659 1.193481 
9.094993 
1 1 1 -13 6   4  o 149.7912 4.671610  4742.916       265.9108 4710.523       
494.7686 4756.072       315.3221 149.2731 7.894813 150.3094 4.996770 -1.036316 
9.343221 
1 1 1 -13 6   5  o 153.5807 3.503123  4996.206       212.7495 4873.961       
366.7545 5058.203       261.1851 152.0796 5.744147 155.0818 4.011517 -3.002182 
7.006247 
1 1 1 -13 6   6  o 291.1868 8.236291  17947.34       675.3543 18308.64       
1878.479 17893.71       723.7464 291.0502 15.37303 291.3233 5.917418 
-0.2731323     16.47258 
1 1 1 -13 6   7  o 166.2994 4.068538  5798.226       167.1266 5872.144       
541.0873 5790.430       175.7186 166.5845 7.736663 166.0143 2.521118 0.5702057 
8.137075 
1 1 1 -13 6   8  o 256.8599 4.110474  13768.89       322.1252 14136.34       
818.4057 13701.52       350.4098 258.4365 7.542857 255.2834 3.269451 3.153137 
8.220948 
1 1 1 -13 6   9  o 160.8115 3.389139  5312.317       196.7664 5716.725       
404.5383 5186.991       225.2008 164.5759 5.854833 157.0471 3.415553 7.528793 
6.778279 
1 1 1 -13 6   10 o 89.06978 2.673306  1685.677       91.74432 1628.708       
165.5798 1710.916       110.2082 87.92753 4.485425 90.21204 2.909848 -2.284508 
5.346611 
1 1 1 -13 6   11 o 84.41731 2.327442  1509.014       80.35825 1453.953       
127.8651 1544.957       103.3093 83.11469 3.664338 85.71995 2.870640 -2.605263 
4.654884 
1 1 1 -13 6   12 o 144.3164 2.454499  4320.687       140.2838 4571.652       
245.9306 4199.643       170.7960 147.3186 3.976271 141.3142 2.878808 6.004379 
4.908998 
1 1 1 -13 6   13 o 321.0048 3.443318  21716.08       390.8575 21831.01       
814.2611 21681.67       445.5434 321.0565 6.040923 320.9531 3.306507 0.1033936 
6.886635 
1 1 1 -13 6   14 o 151.4476 2.422570  4815.484       137.0136 4861.132       
263.4207 4798.555       160.4214 151.8310 4.132480 151.0642 2.529424 0.7667389 
4.845140 
1 1 1 -13 6   15 o 53.65498 2.665123  602.4331       59.27796 632.7204       
92.35277 581.2122       77.30381 54.77968 4.015609 52.53027 3.505197 2.249416 
5.330246 
1 1 1 -13 6   16 f 98.93964 2.250525  2065.107       91.89877 2035.031       
143.2476 2086.143       119.8016 98.30052 3.470985 99.57875 2.865609 -1.278229 
4.501050 
1 1 1 -13 6   17 o 139.8694 2.223951  4047.992       119.7719 4292.398       
221.4346 3946.918       142.4003 142.7318 3.695267 137.0071 2.475648 5.724747 
4.447902 
1 1 1 -13 6   18 o 26.40250 5.131308  143.5172       58.58703 207.1413       
94.10005 103.2422       74.86802 30.56752 7.400908 22.23748 7.109702 8.330036 
10.26262 
1 1 1 -13 6   19 o 126.0867 2.689026  3345.474       137.2162 3382.455       
227.0326 3324.191       172.2331 126.5554 4.272958 125.6180 3.265773 0.9373932 
5.378052 
1 1 1 -13 6   20 o 93.47516 2.474748  1856.293       95.23110 1773.255       
148.3054 1914.555       124.2257 91.63461 3.854949 95.31571 3.104332 -3.681107 
4.949496 
1 1 1 -13 6   21 o 83.96355 2.490742  1459.564       84.38873 1593.589       
142.9869 1387.929       104.5362 86.80168 3.923640 81.12542 3.069239 5.676262 
4.981484 
1 1 1 -13 6   22 o 62.46552 2.875789  836.6289       72.88645 787.0229       
117.4982 867.6564       92.92606 60.86044 4.598509 64.07061 3.454616 -3.210171 
5.751578 
1 1 1 -13 6   23 o 143.1607 2.652695  4334.927       151.9873 4372.338       
257.6062 4314.950       188.2418 143.4290 4.277997 142.8924 3.137820 0.5365753 
5.305391 
1 1 1 -13 6   24 o 128.8634 2.469004  3521.495       129.7286 3518.705       
210.0136 3523.215       164.9647 128.6680 3.887747 129.0588 3.044560 
-0.3907776     4.938008 
1 1 1 -13 6   25 o 72.23531 2.951498  1127.365       82.55420 1081.082       
147.0657 1148.659       99.75330 70.88764 4.941535 73.58297 3.229022 -2.695328 
5.902996 
1 1 1 -13 6   26 o 29.52254 8.872697  205.1383       118.7991 0.000000       
0.000000 205.1383       118.7991 ?        ?        29.52254 8.872697 ? ? 
1 1 1 -13 6   27 o 32.11718 5.935363  253.8398       87.01255 130.0875       
128.3105 359.2052       118.3953 24.97541 9.239553 39.25895 7.452838 -14.28354 
11.87073 
1 1 1 -13 6   28 o 61.35209 4.038897  839.6414       103.2425 793.8060       
152.8217 878.1245       140.0293 59.56249 6.111297 63.14168 5.282310 -3.579185 
8.077793 
1 1 1 -13 6   29 o 87.45015 3.637650  1658.639       130.9823 1870.917       
211.0278 1525.606       167.0570 91.59456 5.487710 83.30575 4.776510 8.288811 
7.275301 
1 1 1 -13 6   30 o 96.87544 3.724475  2105.746       147.1296 2082.193       
236.4534 2120.626       187.9458 95.67583 5.886597 98.07506 4.564520 -2.399231 
7.448951 
1 1 1 -13 6   31 o 19.53255 5.940475  31.99543       90.56514 -27.84207      
133.0722 83.62399       123.6077 17.75731 8.084399 21.30779 8.706287 -3.550482 
11.88095 
1 1 1 -13 6   32 o 38.70050 5.897633  423.2569       98.13950 235.2730       
143.9848 586.3646       134.1201 28.15045 9.851646 49.25056 6.486398 -21.10012 
11.79527 
1 1 1 -13 6   33 o 18.74088 5.878900  32.10046       92.93035 78.25999       
135.9148 -8.424562      127.3497 20.32296 8.760921 17.15879 7.841691 3.164169 
11.75780 
1 1 1 -13 7   1  o 118.0156 4.373650  2938.724       205.1021 2933.074       
352.1228 2941.625       252.3248 117.8405 7.117385 118.1906 5.085083 
-0.3500443     8.747299 
1 1 1 -13 7   2  o 146.0355 4.439983  4530.248       246.6597 4422.471       
456.0957 4574.799       293.2422 144.6480 7.510424 147.4230 4.737861 -2.774948 
8.879966 
1 1 1 -13 7   3  o 160.8031 3.904804  5474.054       260.7556 5262.603       
394.8351 5637.617       347.2577 157.9869 5.952723 163.6192 5.055202 -5.632309 
7.809608 
1 1 1 -13 7   4  o 141.5056 4.010450  4172.727       217.6115 4338.296       
403.2860 4104.716       258.4693 143.3488 6.701009 139.6623 4.408095 3.686508 
8.020900 
1 1 1 -13 7   5  o 85.02951 3.681020  1515.848       112.3418 1537.326       
229.6644 1509.092       128.8034 85.34492 6.409690 84.71410 3.621534 0.6308136 
7.362040 
1 1 1 -13 7   6  o 170.0253 4.846902  5771.972       254.5770 6618.021       
653.7549 5620.748       276.3940 176.6019 8.817405 163.4486 4.027805 13.15323 
9.693804 
1 1 1 -13 7   7  o 155.6730 3.517737  5062.399       146.7593 5162.742       
434.1227 5049.452       155.9404 156.3172 6.614952 155.0288 2.395892 1.288483 
7.035473 
1 1 1 -13 7   8  o 94.41972 2.351150  1827.709       85.91903 1995.524       
158.4455 1757.809       102.2591 97.38287 3.875416 91.45657 2.663226 5.926300 
4.702300 
1 1 1 -13 7   9  o 224.9289 3.726930  10128.17       214.4665 11376.41       
684.5087 9992.295       225.8375 231.7972 7.033830 218.0606 2.466834 13.73654 
7.453860 
1 1 1 -13 7   10 o 224.1881 3.786657  10589.26       290.1696 10641.42       
633.6813 10575.43       326.4008 224.1815 6.732745 224.1947 3.467743 
-0.1321411E-01 7.573315 
1 1 1 -13 7   11 o 90.65231 2.205844  1703.114       80.48451 1816.982       
136.5628 1642.514       99.62542 92.91549 3.500784 88.38914 2.684679 4.526352 
4.411688 
1 1 1 -13 7   12 o 220.2843 3.725675  10286.30       333.6088 10115.12       
542.1982 10390.58       423.1996 218.6218 5.907256 221.9468 4.541689 -3.325043 
7.451350 
1 1 1 -13 7   13 o 92.23269 2.071105  1772.013       78.76005 1880.538       
125.2631 1701.059       101.2858 94.52884 3.156312 89.93654 2.682462 4.592300 
4.142210 
1 1 1 -13 7   14 o 53.88487 2.622269  621.0223       58.18210 555.7230       
88.61538 670.5011       77.13737 51.33448 4.111696 56.43527 3.255632 -5.100788 
5.244539 
1 1 1 -13 7   15 o 54.80585 2.783653  636.6136       63.35639 607.9453       
95.72438 658.9623       84.51743 53.68290 4.247248 55.92880 3.599414 -2.245895 
5.567307 
1 1 1 -13 7   16 o 120.5795 2.660529  3054.322       130.2426 3100.486       
214.0826 3027.196       164.1059 121.2435 4.205756 119.9155 3.259644 1.327995 
5.321058 
1 1 1 -13 7   17 o 126.3122 2.208458  3364.189       111.8480 3337.681       
188.1642 3378.673       139.0872 125.8762 3.560529 126.7482 2.613766 
-0.8719940     4.416915 
1 1 1 -13 7   18 o 156.3061 2.359465  5205.453       146.5750 4955.531       
248.4627 5338.855       181.5269 153.3081 3.860265 159.3040 2.714159 -5.995911 
4.718930 
1 1 1 -13 7   19 o 177.7906 2.600801  6671.714       177.5506 6653.114       
324.9064 6679.634       212.0056 177.4459 4.361274 178.1353 2.834774 
-0.6893616     5.201601 
1 1 1 -13 7   20 o 120.5422 2.332871  3090.120       110.0759 2991.095       
193.0815 3137.802       133.9815 118.9977 3.864766 122.0868 2.613950 -3.089104 
4.665742 
1 1 1 -13 7   21 o 101.8845 2.262564  2215.763       92.19095 2104.206       
154.1017 2277.944       115.0501 99.77982 3.678627 103.9891 2.635240 -4.209282 
4.525128 
1 1 1 -13 7   22 o 101.2240 2.569636  2161.060       105.2975 2192.220       
174.2052 2143.122       132.1759 101.6956 4.080189 100.7525 3.124767 0.9431000 
5.139271 
1 1 1 -13 7   23 o 99.79500 2.409411  2132.683       98.67176 1976.392       
153.6410 2242.396       128.7273 96.55113 3.790276 103.0389 2.975709 -6.487732 
4.818821 
1 1 1 -13 7   24 o 82.00854 2.521727  1373.359       84.09308 1641.292       
141.7188 1227.752       104.4735 87.88087 3.841088 76.13622 3.268404 11.74465 
5.043454 
1 1 1 -13 7   25 o 105.5955 2.690076  2375.298       119.1434 2238.464       
167.1372 2516.667       169.8849 102.4706 3.885033 108.7204 3.721903 -6.249710 
5.380153 
1 1 1 -13 7   26 o 34.35123 5.248713  272.1321       73.55370 309.5046       
107.3289 239.0368       101.0006 36.68825 7.225405 32.01421 7.615082 4.674038 
10.49743 
1 1 1 -13 7   27 o 102.0160 3.588358  2264.792       153.5504 2154.263       
212.1478 2386.406       222.5302 99.39983 5.083631 104.6322 5.065763 -5.232323 
7.176716 
1 1 1 -13 7   28 o 78.32257 3.712584  1345.260       121.8425 1441.849       
179.0756 1262.001       166.2599 80.91575 5.271380 75.72939 5.229309 5.186363 
7.425168 
1 1 1 -13 7   29 o 45.31432 5.433082  493.1623       98.89112 454.6920       
150.6833 522.2678       131.0660 42.81128 8.686186 47.81736 6.528684 -5.006088 
10.86616 
1 1 1 -13 7   30 o 36.33913 6.505659  345.8918       98.59689 334.6256       
153.4861 353.8072       128.6521 35.21812 9.944813 37.46014 8.390179 -2.242020 
13.01132 
1 1 1 -13 7   31 o 33.55665 6.353326  309.2372       96.40757 199.4040       
142.2892 402.4491       131.0812 27.30814 9.769621 39.80517 8.124870 -12.49703 
12.70665 
1 1 1 -13 7   32 o 32.82926 5.846773  301.0279       96.22543 106.2452       
141.1333 470.2288       131.5393 22.17283 9.210206 43.48569 7.204938 -21.31286 
11.69355 
1 1 1 -13 7   33 o 38.19069 6.274017  423.5591       99.87721 338.4985       
143.1521 504.2392       139.4174 33.13006 9.685864 43.25131 7.977292 -10.12125 
12.54803 
1 1 1 -13 8   1  o 114.0506 4.083321  2653.578       178.6125 2964.245       
336.2673 2531.480       210.8095 118.4487 6.762002 109.6525 4.579231 8.796196 
8.166641 
1 1 1 -13 8   2  o 283.6993 7.882518  17244.21       901.1998 16997.01       
1494.423 17385.48       1129.734 281.3935 12.64971 286.0051 9.408570 -4.611542 
15.76504 
1 1 1 -13 8   3  o 94.19833 3.315892  1800.852       123.9200 2073.217       
220.1822 1674.585       149.9174 99.18243 5.287719 89.21424 4.002571 9.968193 
6.631783 
1 1 1 -13 8   4  o 130.1097 3.495756  3525.763       168.5288 3652.605       
330.1002 3481.045       195.9968 131.5681 5.976077 128.6514 3.628738 2.916733 
6.991511 
1 1 1 -13 8   5  o 249.3665 5.084558  12840.12       437.8056 13715.33       
956.6570 12608.27       492.3939 254.0780 8.968301 244.6549 4.793800 9.423172 
10.16912 
1 1 1 -13 8   6  o 116.6313 2.994584  2834.314       128.0015 2923.620       
254.7564 2804.155       148.0456 117.7689 5.152472 115.4937 3.053223 2.275223 
5.989168 
1 1 1 -13 8   7  o 81.67671 2.600817  1388.969       73.47491 1429.380       
158.9192 1377.982       82.86314 82.37271 4.595301 80.98072 2.437254 1.391991 
5.201634 
1 1 1 -13 8   8  o 43.46133 3.545340  389.4612       59.36243 420.4872       
110.0667 376.7344       70.49387 44.61856 5.875723 42.30409 3.969082 2.314465 
7.090680 
1 1 1 -13 8   9  o 168.5530 3.321126  5894.015       197.8930 6166.481       
416.6267 5814.633       224.8805 170.8400 5.808694 166.2661 3.221582 4.573944 
6.642252 
1 1 1 -13 8   10 o 118.4357 2.880695  2886.902       125.5107 3096.191       
250.6452 2816.860       144.9999 121.1395 4.928270 115.7319 2.984254 5.407692 
5.761390 
1 1 1 -13 8   11 o 48.38744 2.997107  538.2153       55.47184 316.3134       
84.04736 709.4840       73.83846 38.69963 5.172950 58.07523 3.028397 -19.37560 
5.994214 
1 1 1 -13 8   12 o 54.59995 2.808006  638.0085       62.96980 574.1959       
96.87920 684.6896       82.86056 52.17354 4.422841 57.02636 3.460934 -4.852818 
5.616011 
1 1 1 -13 8   13 o 85.44845 2.389430  1551.858       84.86112 1398.958       
125.0912 1682.221       115.5048 81.49025 3.656302 89.40665 3.077168 -7.916397 
4.778861 
1 1 1 -13 8   14 o 83.25688 2.298222  1444.132       78.50076 1529.157       
126.6918 1391.145       100.0135 85.20271 3.541735 81.31104 2.929746 3.891670 
4.596444 
1 1 1 -13 8   15 o 177.6924 2.563280  6682.001       181.8882 6552.282       
307.7030 6751.672       225.5037 176.2612 4.158110 179.1236 2.998624 -2.862320 
5.126561 
1 1 1 -13 8   16 o 143.6189 2.531614  4403.434       149.7858 3994.135       
228.8896 4709.997       198.0909 137.6477 3.960758 149.5902 3.154151 -11.94257 
5.063227 
1 1 1 -13 8   17 f 27.10689 3.934420  89.91573       59.72181 376.5196       
96.40811 -88.55119      76.07666 42.17698 5.444515 12.03680 5.681188 30.14018 
7.868840 
1 1 1 -13 8   18 o 207.5096 2.956226  9125.026       239.2180 8985.690       
424.4324 9189.894       289.5979 206.1355 4.904297 208.8837 3.302265 -2.748199 
5.912452 
1 1 1 -13 8   19 o 31.94929 4.601082  216.1381       57.77828 262.6697       
97.12888 190.6549       71.87892 34.47978 6.953536 29.41880 6.027286 5.060980 
9.202165 
1 1 1 -13 8   20 o 80.76100 2.354017  1362.908       75.96500 1417.518       
130.2051 1334.727       93.53377 81.91892 3.785862 79.60309 2.798721 2.315834 
4.708035 
1 1 1 -13 8   21 o 110.7885 2.177081  2585.876       98.65663 2604.382       
158.7541 2574.232       125.9244 111.0503 3.405071 110.5268 2.713710 0.5234985 
4.354163 
1 1 1 -13 8   22 o 54.39665 3.172778  641.1879       70.40706 567.6488       
109.7174 692.6718       91.80198 51.60247 5.064376 57.19084 3.823373 -5.588375 
6.345556 
1 1 1 -13 8   23 o 82.75895 2.510084  1402.405       84.29897 1636.682       
142.4370 1276.107       104.5815 87.83357 3.862632 77.68433 3.206582 10.14925 
5.020168 
1 1 1 -13 8   24 o 64.05978 2.712637  868.1274       70.57440 889.0538       
116.0710 855.8533       88.89410 64.57073 4.281628 63.54884 3.331857 1.021893 
5.425275 
1 1 1 -13 8   25 o 40.57399 4.796873  335.8433       76.64432 491.1606       
134.2842 260.7984       93.34167 47.24664 6.769790 33.90135 6.797786 13.34528 
9.593745 
1 1 1 -13 8   26 o 67.46883 3.126419  976.6570       87.89861 1000.041       
133.2880 958.6613       116.9274 68.09023 4.662591 66.84743 4.166321 1.242798 
6.252839 
1 1 1 -13 8   27 o 73.55594 3.004635  1151.887       92.15623 1348.569       
139.1112 998.0648       123.0237 79.10783 4.188550 68.00404 4.308987 11.10378 
6.009270 
1 1 1 -13 8   28 o 35.52504 5.939650  311.1909       93.53467 177.7034       
134.3458 436.7649       130.3028 27.35632 9.521659 43.69376 7.103223 -16.33744 
11.87930 
1 1 1 -13 8   29 o 36.60171 11.63196  375.2372       200.6227 375.2372       
200.6227 0.000000       0.000000 36.60171 11.63196 ?        ?        ? ? 
1 1 1 -13 8   30 o 21.22174 6.301184  58.64409       94.72590 94.45384       
142.6566 30.40333       126.6862 22.85154 9.347753 19.59194 8.452171 3.259598 
12.60237 
1 1 1 -13 8   31 o 30.02984 5.673120  225.9948       96.38185 -32.10536      
144.2596 434.0961       129.5352 18.29996 8.356082 41.75973 7.675483 -23.45977 
11.34624 
1 1 1 -13 8   32 o 19.92365 6.093846  48.97282       96.24503 -13.92409      
146.5963 96.62178       127.5954 18.41863 8.415768 21.42867 8.815595 -3.010042 
12.18769 
1 1 1 -13 8   33 o 17.60506 5.691194  -2.938622      94.18489 -14.11121      
137.2245 7.012383       129.5055 17.48910 8.054034 17.72102 8.043089 
-0.2319221     11.38239 
1 1 1 -13 9   1  o 307.4870 6.543809  20269.57       822.1970 19494.62       
1309.533 20773.84       1056.360 302.0722 10.32587 312.9018 8.041278 -10.82959 
13.08762 
1 1 1 -13 9   2  o 103.2867 3.414654  2237.396       145.6839 2306.433       
228.9413 2190.418       188.8537 104.5865 5.213984 101.9869 4.410647 2.599625 
6.829308 
1 1 1 -13 9   3  o 111.9043 3.671047  2589.752       161.3479 2783.099       
288.4522 2501.711       194.6469 114.8039 5.984645 109.0046 4.253276 5.799240 
7.342093 
1 1 1 -13 9   4  o 138.8350 4.073663  4093.905       212.1480 4012.511       
401.8057 4125.365       249.8055 137.6964 6.950475 139.9737 4.250860 -2.277252 
8.147326 
1 1 1 -13 9   5  o 213.2399 6.203408  9643.665       451.6852 9720.712       
986.7865 9623.244       508.0313 212.9617 11.03679 213.5180 5.667310 
-0.5562592     12.40682 
1 1 1 -13 9   6  o 214.3519 6.329762  9551.595       414.3018 10128.67       
1057.145 9446.878       450.3255 217.0528 11.60086 211.6510 5.067892 5.401794 
12.65952 
1 1 1 -13 9   7  o 156.9692 4.180122  5006.302       156.8782 5455.348       
535.8246 4964.202       164.0676 160.2520 7.964167 153.6864 2.542778 6.565567 
8.360244 
1 1 1 -13 9   8  o 187.8622 2.991552  7169.348       174.1833 7835.115       
440.8253 7046.171       189.6130 192.6246 5.450996 183.0999 2.466614 9.524704 
5.983105 
1 1 1 -13 9   9  f 94.30002 2.559085  1819.743       93.16395 2004.256       
172.8914 1744.244       110.5939 97.52689 4.222504 91.07314 2.892425 6.453751 
5.118169 
1 1 1 -13 9   10 o 112.2085 2.387244  2661.789       100.8165 2623.149       
190.2738 2676.871       118.8745 111.5740 4.061974 112.8429 2.509202 -1.268974 
4.774487 
1 1 1 -13 9   11 o 61.06963 2.570505  768.2557       64.87366 882.0557       
103.4368 694.4660       83.29169 64.70628 3.807586 57.43297 3.454312 7.273315 
5.141010 
1 1 1 -13 9   12 o 112.4164 2.245444  2672.524       104.1500 2588.873       
161.7350 2731.788       136.1324 110.8770 3.474430 113.9558 2.845418 -3.078796 
4.490887 
1 1 1 -13 9   13 o 84.26735 2.413687  1498.520       83.71606 1479.209       
131.6682 1511.624       108.4623 83.78356 3.743201 84.75114 3.048275 
-0.9675827     4.827374 
1 1 1 -13 9   14 o 109.1010 2.173622  2411.779       92.74397 2760.197       
169.3819 2262.596       110.8347 114.4745 3.524352 103.7276 2.545086 10.74685 
4.347243 
1 1 1 -13 9   15 o 77.92111 2.293773  1256.353       73.83268 1396.878       
117.5402 1164.770       94.88921 81.44504 3.437501 74.39719 3.037955 7.047844 
4.587547 
1 1 1 -13 9   16 o 136.6022 2.362897  3945.553       131.4656 3859.805       
212.3664 3998.832       167.3973 135.3417 3.737449 137.8627 2.892164 -2.520981 
4.725795 
1 1 1 -13 9   17 o 123.8736 2.525482  3261.555       128.5234 3085.850       
200.8379 3383.412       167.2549 120.9719 3.954414 126.7753 3.142428 -5.803375 
5.050965 
1 1 1 -13 9   18 o 133.1306 2.592856  3752.933       142.4150 3646.329       
221.3648 3828.214       186.0242 131.4538 4.011035 134.8075 3.286824 -3.353668 
5.185713 
1 1 1 -13 9   19 o 70.36107 2.488146  1037.763       73.13843 1107.013       
110.2073 983.2581       97.77234 72.43561 3.623925 68.28652 3.410375 4.149086 
4.976293 
1 1 1 -13 9   20 o 145.5837 2.609302  4510.146       155.2189 4327.614       
247.2409 4628.891       199.4151 143.0230 4.117519 148.1444 3.206224 -5.121445 
5.218605 
1 1 1 -13 9   21 o 41.23122 3.905715  350.8810       66.48238 438.9938       
106.0507 293.8341       85.33163 45.35003 5.570024 37.11241 5.476612 8.237621 
7.811430 
1 1 1 -13 9   22 o 71.61212 2.658835  1082.379       77.69195 1101.602       
126.1199 1070.623       98.62724 72.05071 4.169332 71.17352 3.300650 0.8771896 
5.317670 
1 1 1 -13 9   23 o 68.59206 2.733801  988.5023       77.30586 1050.332       
122.9836 948.1139       99.39812 70.28682 4.167681 66.89729 3.539082 3.389526 
5.467602 
1 1 1 -13 9   24 o 67.57968 2.838201  960.6040       79.86675 1064.776       
122.9076 884.4678       105.0747 70.68101 4.141874 64.47836 3.881549 6.202652 
5.676403 
1 1 1 -13 9   25 o 33.88893 5.481770  274.4136       75.43117 213.2162       
127.6736 307.2301       93.49326 30.22963 9.220902 37.54823 5.930781 -7.318600 
10.96354 
1 1 1 -13 9   26 o 19.36407 5.588021  41.60215       72.74800 6.551877       
110.5451 68.37710       96.61803 18.35473 7.906629 20.37342 7.898680 -2.018690 
11.17604 
1 1 1 -13 9   27 o 81.24449 3.010698  1429.598       102.2271 1293.062       
145.8395 1561.485       143.3350 77.29023 4.494399 85.19875 4.007192 -7.908516 
6.021396 
1 1 1 -13 9   28 o 19.15142 5.597142  42.03664       73.53458 25.99185       
107.1590 56.31635       101.0931 18.62912 7.896103 19.67371 7.934957 -1.044592 
11.19428 
1 1 1 -13 9   29 o 54.08881 4.543239  663.1690       102.0030 695.6323       
157.7325 639.8344       133.7291 54.93232 6.839341 53.24530 5.982265 1.687012 
9.086478 
1 1 1 -13 9   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 9   31 o 33.58978 6.417122  314.4869       101.7431 164.7293       
150.8747 439.3903       137.7873 25.61711 9.883016 41.56244 8.188028 -15.94533 
12.83424 
1 1 1 -13 9   32 o 26.92990 6.570785  204.0657       98.85041 92.49085       
147.2153 295.6754       133.3954 21.77839 9.244172 32.08141 9.340563 -10.30303 
13.14157 
1 1 1 -13 9   33 o 29.54096 6.751412  271.7014       98.50333 207.3703       
141.8841 331.5583       136.8611 25.94275 9.692242 33.13918 9.401422 -7.196424 
13.50282 
1 1 1 -13 10  1  o 137.2534 4.087823  3967.199       211.1442 4010.043       
400.8721 3950.750       248.3922 137.5682 6.940787 136.9385 4.320493 0.6296844 
8.175646 
1 1 1 -13 10  2  o 100.5624 3.357289  2061.774       135.4484 2367.356       
234.7643 1909.297       165.8330 105.9121 5.279676 95.21258 4.148563 10.69957 
6.714578 
1 1 1 -13 10  3  o 261.4350 7.008281  14641.91       748.5181 14512.67       
1202.327 14723.70       956.4824 259.9202 11.01802 262.9499 8.664134 -3.029663 
14.01656 
1 1 1 -13 10  4  o 120.5263 4.087176  3051.219       172.8317 3102.144       
365.0519 3036.506       196.2159 120.9580 7.188549 120.0947 3.891631 0.8633041 
8.174352 
1 1 1 -13 10  5  o 225.5408 5.810960  10711.43       461.6216 11025.99       
971.3015 10619.65       524.6625 226.8514 10.19844 224.2302 5.573229 2.621155 
11.62192 
1 1 1 -13 10  6  o 102.3417 3.062967  2110.854       103.0778 2364.585       
243.3626 2055.383       113.7888 105.8081 5.478426 98.87517 2.741154 6.932976 
6.125935 
1 1 1 -13 10  7  o 147.9277 4.600844  4189.624       180.1459 5239.194       
566.4212 4071.512       190.0120 156.7442 8.607341 139.1112 3.253420 17.63306 
9.201688 
1 1 1 -13 10  8  o 86.97292 2.342596  1580.623       80.33465 1624.242       
141.1100 1559.706       97.71569 87.81860 3.827299 86.12724 2.702370 1.691368 
4.685192 
1 1 1 -13 10  9  o 140.8088 2.843733  4056.914       136.9196 4389.104       
304.3767 3972.641       153.3064 144.1655 5.028877 137.4520 2.656625 6.713547 
5.687466 
1 1 1 -13 10  10 o 173.8957 3.006020  6307.973       183.6706 6502.899       
388.6239 6251.912       208.4164 175.3943 5.277584 172.3972 2.879537 2.997070 
6.012040 
1 1 1 -13 10  11 o 139.0365 2.780367  4075.036       155.3527 4072.780       
260.4890 4076.282       193.5387 138.9245 4.466133 139.1484 3.312918 
-0.2239685     5.560735 
1 1 1 -13 10  12 o 92.29106 2.269118  1785.253       86.82215 1841.264       
134.7249 1745.470       113.5442 93.50512 3.431893 91.07700 2.969460 2.428116 
4.538235 
1 1 1 -13 10  13 o 212.4904 2.426464  9293.521       178.5351 9892.748       
388.6484 9133.248       200.9981 216.5442 4.274953 208.4365 2.296885 8.107773 
4.852927 
1 1 1 -13 10  14 o 72.17790 2.244082  1105.867       66.84978 1041.702       
102.8443 1152.812       87.96879 70.32952 3.483083 74.02628 2.830504 -3.696762 
4.488164 
1 1 1 -13 10  15 o 227.4944 3.399264  10988.66       316.7105 10666.43       
502.9502 11200.39       407.6939 224.5527 5.334918 230.4362 4.214098 -5.883469 
6.798527 
1 1 1 -13 10  16 o 118.3202 2.543442  2969.927       124.8565 2800.404       
188.5879 3102.219       166.5972 115.2561 3.897366 121.3843 3.269085 -6.128258 
5.086883 
1 1 1 -13 10  17 o 257.8222 3.332410  13963.26       332.7601 14267.17       
603.2236 13830.33       398.9523 259.4985 5.536872 256.1459 3.709836 3.352631 
6.664820 
1 1 1 -13 10  18 f 19.17900 4.655194  22.86126       54.47816 151.2561       
84.80388 -67.35526      71.08615 26.22754 7.387648 12.13046 5.666215 14.09707 
9.310389 
1 1 1 -13 10  19 o 53.30537 3.158988  588.6041       69.55851 672.2113       
111.0460 534.6157       89.23399 56.33125 4.695421 50.27950 4.227275 6.051750 
6.317976 
1 1 1 -13 10  20 o 172.3777 3.140889  6184.414       202.0946 6547.900       
392.9530 6053.696       235.6480 175.3927 5.336423 169.3628 3.314109 6.029892 
6.281778 
1 1 1 -13 10  21 o 73.31476 2.355388  1139.482       70.72601 1116.408       
112.5885 1154.522       90.89966 72.64732 3.691437 73.98219 2.926551 -1.334877 
4.710775 
1 1 1 -13 10  22 o 113.3568 2.667689  2712.297       122.8218 2763.012       
201.7674 2682.441       154.8086 114.0661 4.213234 112.6476 3.273365 1.418503 
5.335379 
1 1 1 -13 10  23 o 73.52611 2.618562  1106.790       79.07320 1345.310       
129.3274 964.3895       99.92728 79.59568 3.870100 67.45654 3.528426 12.13914 
5.237124 
1 1 1 -13 10  24 o 70.87227 3.175388  1049.561       90.87310 1163.545       
154.0724 988.7564       112.5303 73.60294 4.985982 68.14160 3.933490 5.461342 
6.350777 
1 1 1 -13 10  25 o 68.52869 3.124875  977.5676       86.17020 1111.976       
147.9621 908.5837       106.0013 71.81518 4.907442 65.24221 3.869935 6.572968 
6.249750 
1 1 1 -13 10  26 o 94.40412 2.580914  1892.700       101.7544 1640.157       
138.6586 2187.418       149.7901 87.56467 3.771715 101.2436 3.524007 -13.67889 
5.161827 
1 1 1 -13 10  27 o 34.17438 5.103209  278.9989       71.51872 213.6132       
108.5490 329.1557       95.07127 29.78799 8.347722 38.56077 5.872522 -8.772776 
10.20642 
1 1 1 -13 10  28 o 91.18202 2.976624  1796.795       113.5469 1865.760       
168.9869 1740.030       153.3140 92.67939 4.343010 89.68466 4.071784 2.994728 
5.953248 
1 1 1 -13 10  29 o 29.37406 5.927381  214.5417       76.44306 225.2195       
113.8426 205.7741       103.1589 29.93564 8.600903 28.81248 8.158422 1.123161 
11.85476 
1 1 1 -13 10  30 o 21.37473 5.944790  31.91393       78.90959 205.5217       
142.3805 -45.05088      94.80080 28.06559 9.799020 14.68387 6.733595 13.38171 
11.88958 
1 1 1 -13 10  31 o 23.12187 7.215992  56.89903       113.9615 163.7130       
247.4503 28.14509       128.3875 26.97197 11.72645 19.27177 8.412646 7.700207 
14.43198 
1 1 1 -13 10  32 o 20.10023 6.115091  50.85245       97.92168 -42.00578      
150.4115 119.1599       129.0045 17.82188 8.292655 22.37859 8.989395 -4.556709 
12.23018 
1 1 1 -13 10  33 f 17.07035 5.515777  -12.02216      90.10732 -66.54456      
138.7809 27.71333       118.4763 16.26535 7.675891 17.87536 7.923121 -1.610012 
11.03155 
1 1 1 -13 11  1  o 115.0381 3.905740  2801.642       171.0382 2787.050       
317.3389 2807.617       203.0559 114.6577 6.592365 115.4185 4.190457 
-0.7608109     7.811479 
1 1 1 -13 11  2  o 110.8927 3.749813  2624.697       168.5727 2489.825       
273.0798 2707.733       214.2712 108.4699 5.996549 113.3154 4.503973 -4.845528 
7.499625 
1 1 1 -13 11  3  o 171.6800 4.841331  6082.575       327.5869 6742.912       
585.2474 5781.290       395.3175 178.0058 7.831166 165.3541 5.694453 12.65167 
9.682663 
1 1 1 -13 11  4  o 156.7617 4.611209  5161.343       261.3454 5300.432       
529.6478 5116.580       300.4715 157.7708 7.996162 155.7526 4.595037 2.018204 
9.222418 
1 1 1 -13 11  5  o 181.9354 4.002959  6950.454       270.0591 7104.018       
526.2705 6895.561       314.6460 182.9828 6.850461 180.8880 4.143176 2.094772 
8.005919 
1 1 1 -13 11  6  o 260.1323 7.166616  13838.44       368.7497 15378.71       
1543.809 13745.24       379.7415 264.7504 13.88922 255.5143 3.539924 9.236145 
14.33323 
1 1 1 -13 11  7  o 154.0784 3.427969  5045.809       169.7539 4958.516       
399.6471 5065.025       187.5099 152.9781 6.222552 155.1787 2.878147 -2.200623 
6.855938 
1 1 1 -13 11  8  o 111.3033 3.806500  2475.373       128.1295 2832.868       
337.5341 2415.185       138.4960 115.4705 6.962542 107.1362 3.079088 8.334267 
7.613000 
1 1 1 -13 11  9  o 202.9726 4.166244  8653.096       309.4641 8876.335       
615.7877 8577.664       357.9489 204.2693 7.180407 201.6760 4.227543 2.593292 
8.332488 
1 1 1 -13 11  10 o 81.17468 2.312238  1261.661       72.09920 1707.028       
139.9409 1100.721       84.12357 90.01131 3.703128 72.33806 2.769950 17.67326 
4.624476 
1 1 1 -13 11  11 o 65.68130 2.545206  897.0096       68.51972 961.9691       
111.1571 857.1998       87.01849 67.55264 3.919366 63.80997 3.248210 3.742672 
5.090413 
1 1 1 -13 11  12 o 53.17688 2.983068  583.4636       65.20319 659.0347       
105.7550 537.1196       82.81703 55.87563 4.508162 50.47813 3.907846 5.397503 
5.966137 
1 1 1 -13 11  13 f 85.24948 2.564581  1533.168       89.19908 1521.664       
143.9924 1540.331       113.6265 84.95356 4.037190 85.54540 3.163764 
-0.5918427     5.129162 
1 1 1 -13 11  14 o 149.9570 3.026276  4762.165       182.6293 4678.436       
303.8998 4809.496       228.4908 148.8136 4.864172 151.1004 3.601836 -2.286850 
6.052553 
1 1 1 -13 11  15 o 158.5769 2.936309  5282.810       183.7413 5365.730       
321.2620 5242.499       223.9934 159.3712 4.801430 157.7826 3.381405 1.588562 
5.872617 
1 1 1 -13 11  16 o 168.2934 2.660036  5992.080       181.1297 5886.733       
297.7021 6053.998       228.2349 167.0193 4.245571 169.5675 3.205979 -2.548111 
5.320073 
1 1 1 -13 11  17 f 59.95625 2.908658  760.4796       71.64762 750.4453       
113.2749 767.1710       92.50211 59.59084 4.527674 60.32165 3.652578 
-0.7308083     5.817316 
1 1 1 -13 11  18 o 134.1559 2.374468  3827.785       129.1054 3662.544       
209.8250 3928.458       163.7785 131.7254 3.794100 136.5863 2.856081 -4.860947 
4.748937 
1 1 1 -13 11  19 o 33.34076 4.847711  244.9395       64.74242 255.9628       
101.5297 237.3856       84.04723 33.87443 7.345672 32.80710 6.327900 1.067329 
9.695422 
1 1 1 -13 11  20 f 56.92124 3.013425  680.2815       70.51276 717.2720       
113.0017 656.6942       90.23595 58.12816 4.630411 55.71432 3.857747 2.413834 
6.026850 
1 1 1 -13 11  21 o 92.70779 2.464416  1828.970       94.50909 1743.802       
144.7833 1892.204       124.7541 90.75198 3.799999 94.66362 3.139011 -3.911644 
4.928832 
1 1 1 -13 11  22 f 44.87153 3.693278  441.8028       66.97754 382.7361       
106.0102 481.0455       86.40823 42.17975 5.986384 47.56331 4.327172 -5.383556 
7.386556 
1 1 1 -13 11  23 o 77.34753 3.082794  1265.700       97.44268 1317.467       
158.3062 1234.123       123.6408 78.48414 4.804376 76.21093 3.864254 2.273209 
6.165589 
1 1 1 -13 11  24 o 82.65060 2.719769  1459.431       88.07023 1441.642       
154.8460 1467.936       107.0758 82.06068 4.494548 83.24052 3.063922 -1.179832 
5.439538 
1 1 1 -13 11  25 o 22.42141 5.894356  83.02451       72.33574 144.1623       
121.5697 49.51553       90.00174 25.86047 9.052181 18.98234 7.551937 6.878136 
11.78871 
1 1 1 -13 11  26 o 121.3185 3.472378  3113.580       165.3970 3421.373       
296.5515 2974.605       199.2689 124.9204 5.654417 117.7166 4.032022 7.203812 
6.944756 
1 1 1 -13 11  27 f 26.24561 6.010780  161.8780       75.49802 161.0063       
109.9510 162.6558       103.8506 26.22237 8.628126 26.26884 8.370983 
-0.4647446E-01 12.02156 
1 1 1 -13 11  28 o 67.46750 3.329973  991.0461       94.06840 1059.119       
139.4341 934.1818       127.4392 69.54549 4.775524 65.38951 4.642118 4.155983 
6.659946 
1 1 1 -13 11  29 o 79.78188 3.106702  1396.424       103.6686 1329.818       
150.7854 1456.130       142.7625 77.80505 4.616074 81.75871 4.159118 -3.953667 
6.213405 
1 1 1 -13 11  30 o 76.94010 3.005125  1272.900       95.69395 1455.976       
151.6107 1151.666       123.3750 81.29074 4.442321 72.58946 4.048318 8.701279 
6.010249 
1 1 1 -13 11  31 f 22.97425 5.485821  117.5446       75.74380 -26.82799      
118.0184 218.6632       98.76945 16.78545 7.634299 29.16305 7.880001 -12.37760 
10.97164 
1 1 1 -13 11  32 o 98.73741 5.919758  2445.002       205.6745 2817.962       
427.9712 2332.996       234.5337 97.72338 10.43127 99.75143 5.600247 -2.028053 
11.83952 
1 1 1 -13 11  33 o 20.09335 6.195541  69.27413       98.17470 69.03342       
142.8040 69.48987       135.1887 20.20467 8.845670 19.98202 8.677157 0.2226486 
12.39108 
1 1 1 -13 12  1  o 56.42949 4.144386  637.0599       95.19701 841.4907       
160.3856 525.8637       118.2870 63.01427 6.062442 49.84472 5.652481 13.16956 
8.288772 
1 1 1 -13 12  2  o 189.1848 5.990217  7562.476       412.4136 7832.077       
828.1449 7473.564       475.5808 190.5578 10.35144 187.8117 6.031463 2.746078 
11.98043 
1 1 1 -13 12  3  o 65.80499 3.721499  938.0958       97.16962 842.0267       
162.3870 991.6818       121.2786 63.03247 6.136320 68.57752 4.212340 -5.545055 
7.442999 
1 1 1 -13 12  4  o 26.97688 5.913925  161.8048       73.81361 84.57780       
137.9477 192.7867       87.37419 24.42497 9.444534 29.52878 7.120310 -5.103815 
11.82785 
1 1 1 -13 12  5  o 126.2612 3.860212  3402.610       169.0684 3317.483       
358.8931 3426.889       191.6682 124.9633 6.840747 127.5591 3.578983 -2.595764 
7.720423 
1 1 1 -13 12  6  o 77.54057 2.867371  1284.286       81.35755 1233.193       
159.3578 1302.298       94.61746 76.40073 4.968175 78.68040 2.864348 -2.279678 
5.734741 
1 1 1 -13 12  7  o 150.2093 4.408300  4656.962       172.3873 4951.830       
531.3738 4622.278       182.2442 152.1976 8.315982 148.2210 2.928634 3.976593 
8.816601 
1 1 1 -13 12  8  o 191.8684 5.222929  7843.510       235.3816 7837.530       
800.0388 7844.077       246.2821 190.6708 9.994195 193.0659 3.038423 -2.395096 
10.44586 
1 1 1 -13 12  9  o 79.52741 2.385038  1232.428       72.34396 1573.033       
141.0419 1110.824       84.27442 86.38660 3.888865 72.66823 2.762309 13.71837 
4.770076 
1 1 1 -13 12  10 o 132.8705 2.307815  3732.941       123.5690 3658.889       
204.9118 3775.260       154.9038 131.7746 3.703877 133.9664 2.754148 -2.191864 
4.615629 
1 1 1 -13 12  11 o 136.0406 2.237724  3851.133       121.2991 4035.404       
209.5394 3758.260       148.7586 138.4050 3.606077 133.6762 2.650630 4.728790 
4.475448 
1 1 1 -13 12  12 o 317.0495 4.382306  21045.58       510.4696 21890.49       
1012.897 20757.92       591.0120 320.4879 7.527914 313.6111 4.488755 6.876831 
8.764611 
1 1 1 -13 12  13 f 158.1643 2.255512  5142.516       139.0365 5595.287       
252.9378 4946.473       166.4368 162.9618 3.696995 153.3669 2.584871 9.594971 
4.511024 
1 1 1 -13 12  14 o 65.10020 2.403854  880.1623       65.00585 975.3715       
101.2015 813.2852       84.81760 68.04707 3.542409 62.15332 3.250444 5.893749 
4.807707 
1 1 1 -13 12  15 o 136.7942 2.519694  3969.422       138.8854 3845.241       
229.6201 4041.060       174.4045 135.0222 4.050659 138.5662 2.997930 -3.543945 
5.039387 
1 1 1 -13 12  16 o 141.8535 2.773710  4255.462       158.7762 4205.076       
262.9655 4284.369       199.1817 141.0943 4.439258 142.6127 3.326690 -1.518372 
5.547421 
1 1 1 -13 12  17 o 159.9110 2.933970  5366.037       186.2531 5511.241       
322.5981 5293.435       228.1132 161.3644 4.761846 158.4576 3.428929 2.906799 
5.867940 
1 1 1 -13 12  18 o 72.26520 2.221217  1117.066       66.38829 960.4667       
97.85246 1250.626       90.36800 67.47160 3.454394 77.05880 2.793274 -9.587204 
4.442433 
1 1 1 -13 12  19 o 194.8647 3.191679  8146.543       246.4917 7752.372       
419.8283 8353.899       304.5001 190.8893 5.238552 198.8400 3.647578 -7.950729 
6.383358 
1 1 1 -13 12  20 o 74.56857 2.434214  1177.656       75.66205 1151.378       
113.2987 1198.809       101.6510 73.78438 3.657477 75.35275 3.213170 -1.568375 
4.868429 
1 1 1 -13 12  21 o 148.1256 2.530921  4681.842       150.5550 4508.054       
250.2629 4780.409       188.4749 145.7705 4.089290 150.4807 2.983278 -4.710159 
5.061841 
1 1 1 -13 12  22 o 87.19489 2.866343  1584.777       100.6018 1722.044       
171.2115 1512.393       124.3286 89.89186 4.536633 84.49791 3.504662 5.393951 
5.732686 
1 1 1 -13 12  23 o 62.00414 3.542810  834.6957       88.89584 785.0488       
144.0180 865.2544       112.9893 60.30347 5.688470 63.70480 4.224608 -3.401325 
7.085619 
1 1 1 -13 12  24 o 117.6699 3.322274  2918.868       152.5754 3123.936       
275.2657 2827.925       183.3118 120.1344 5.457650 115.2054 3.789996 4.929085 
6.644547 
1 1 1 -13 12  25 o 38.29094 4.900941  332.4536       74.96202 324.0009       
119.4504 337.9453       96.28166 37.27711 7.876104 39.30477 5.834712 -2.027657 
9.801882 
1 1 1 -13 12  26 o 19.39707 5.588004  48.48506       68.41719 29.48166       
122.9655 57.00582       82.33918 20.03043 8.472647 18.76371 7.288170 1.266714 
11.17601 
1 1 1 -13 12  27 o 53.21347 3.571116  627.2958       78.53158 566.9711       
118.1471 675.0444       105.1129 50.66335 5.554569 55.76359 4.489793 -5.100243 
7.142232 
1 1 1 -13 12  28 o 41.69656 4.066966  389.7204       70.53653 329.3408       
98.97292 452.0436       100.5533 38.21288 6.169183 45.18024 5.301135 -6.967358 
8.133932 
1 1 1 -13 12  29 o 49.25719 3.474203  537.0854       71.73127 540.3842       
98.93526 533.4294       104.1524 49.49382 4.761253 49.02058 5.060714 0.4732399 
6.948407 
1 1 1 -13 12  30 o 44.06399 4.172415  444.5368       74.24411 441.5776       
122.0123 446.2767       93.55874 43.42844 6.691914 44.69954 4.985427 -1.271099 
8.344831 
1 1 1 -13 12  31 o 30.68601 5.823133  250.0685       76.90266 220.1962       
117.8666 272.2112       101.4778 28.56633 8.889551 32.80568 7.524053 -4.239353 
11.64627 
1 1 1 -13 12  32 o 50.61540 3.932317  606.6556       82.54394 528.1061       
119.5191 678.2894       114.1364 46.94609 6.063994 54.28471 5.008039 -7.338619 
7.864635 
1 1 1 -13 13  1  o 79.90892 4.182379  1325.233       132.9737 1440.810       
232.1441 1268.793       162.2242 82.33789 6.715510 77.47995 4.987093 4.857941 
8.364758 
1 1 1 -13 13  2  o 101.2455 3.653707  2141.585       146.0275 2243.805       
256.9605 2092.826       177.4699 102.8886 5.948675 99.60249 4.244002 3.286087 
7.307413 
1 1 1 -13 13  3  o 144.0162 3.465700  4391.769       196.8936 4355.179       
342.3405 4409.855       240.6849 143.4040 5.686149 144.6285 3.963839 -1.224503 
6.931400 
1 1 1 -13 13  4  o 136.7930 4.018682  3941.508       196.6714 4003.830       
403.7189 3922.116       225.2001 137.1852 7.009593 136.4008 3.932536 0.7844391 
8.037364 
1 1 1 -13 13  5  o 175.0229 5.194140  6309.218       279.8489 6851.566       
711.0581 6209.814       304.4166 178.4712 9.489822 171.5746 4.226068 6.896591 
10.38828 
1 1 1 -13 13  6  o 186.0846 5.311013  7189.960       231.3996 7617.257       
800.6660 7151.018       241.7144 187.8470 10.15239 184.3221 3.123534 3.524872 
10.62203 
1 1 1 -13 13  7  o 37.58646 5.224410  250.2373       68.91480 449.4257       
151.6202 198.3719       77.36845 45.15946 8.308081 30.01345 6.336688 15.14601 
10.44882 
1 1 1 -13 13  8  o 69.75478 3.371678  1010.337       83.73911 1060.955       
174.5926 995.2138       95.43211 70.75789 5.877221 68.75166 3.306225 2.006233 
6.743356 
1 1 1 -13 13  9  o 24.68531 5.112362  107.8281       55.85435 210.2400       
99.49941 60.70791       67.49150 30.79896 7.706228 18.57167 6.720047 12.22729 
10.22472 
1 1 1 -13 13  10 o 103.1971 2.038468  2238.920       84.07898 2245.925       
142.8219 2235.206       104.0127 103.2853 3.293649 103.1089 2.402765 0.1763611 
4.076935 
1 1 1 -13 13  11 o 184.7885 2.607557  7224.214       191.0032 7102.546       
328.3065 7286.466       234.8370 183.4943 4.261652 186.0827 3.005949 -2.588394 
5.215114 
1 1 1 -13 13  12 o 74.86522 2.245733  1174.237       69.08946 1206.433       
110.2609 1153.424       88.65112 75.68634 3.469965 74.04411 2.851772 1.642235 
4.491466 
1 1 1 -13 13  13 o 39.21764 3.831381  319.5573       62.32677 363.9417       
97.81574 289.2198       80.86924 41.45627 5.620042 36.97901 5.208938 4.477264 
7.662761 
1 1 1 -13 13  14 o 151.4837 2.665170  4741.998       153.2198 5059.461       
290.7354 4619.921       180.2882 154.7971 4.473589 148.1703 2.898193 6.626816 
5.330340 
1 1 1 -13 13  15 o 112.3016 2.320851  2630.073       104.8628 2747.733       
177.2529 2566.720       130.0654 114.1634 3.698176 110.4399 2.805155 3.723541 
4.641703 
1 1 1 -13 13  16 o 37.75011 4.082333  326.9814       59.09638 212.8616       
88.49143 418.8481       79.39620 30.97524 6.972937 44.52497 4.247341 -13.54972 
8.164665 
1 1 1 -13 13  17 o 95.30719 2.248472  1898.896       87.50774 1981.629       
142.6222 1848.946       110.8190 96.91599 3.505200 93.69839 2.817106 3.217598 
4.496945 
1 1 1 -13 13  18 f 141.7874 2.434430  4252.474       141.8247 4200.353       
224.2171 4287.235       183.1098 140.9787 3.788231 142.5962 3.058613 -1.617554 
4.868861 
1 1 1 -13 13  19 o 92.73893 2.526320  1774.907       94.86811 1977.219       
160.0102 1665.242       117.8069 96.64902 3.943403 88.82883 3.158914 7.820190 
5.052639 
1 1 1 -13 13  20 o 75.03081 2.375691  1190.155       74.25788 1186.951       
112.1010 1192.659       99.12505 74.90894 3.564486 75.15266 3.141667 
-0.2437210     4.751382 
1 1 1 -13 13  21 o 36.74203 5.096301  294.9335       76.67159 408.3389       
114.8297 203.7022       102.9934 43.51790 6.285029 29.96617 8.024183 13.55173 
10.19260 
1 1 1 -13 13  22 o 113.0790 2.811928  2732.305       131.2660 2635.932       
203.1039 2801.436       172.0206 111.2188 4.349718 114.9391 3.564786 -3.720329 
5.623855 
1 1 1 -13 13  23 o 22.07516 5.723919  92.04472       69.58415 73.19091       
107.3283 105.7161       91.39461 21.48719 8.326105 22.66313 7.856778 -1.175945 
11.44784 
1 1 1 -13 13  24 o 13.01592 4.362044  -102.8434      64.32999 -209.8593      
112.1580 -50.37748      78.53171 12.64650 6.203376 13.38534 6.134154 
-0.7388382     8.724089 
1 1 1 -13 13  25 o 65.85541 3.373520  960.6981       88.67809 854.1580       
145.4408 1023.742       111.8801 62.54510 5.538777 69.16573 3.852858 -6.620628 
6.747041 
1 1 1 -13 13  26 o 109.6585 3.392600  2625.108       149.2683 2570.184       
249.0502 2655.898       186.4719 108.1874 5.483164 111.1296 3.996728 -2.942200 
6.785199 
1 1 1 -13 13  27 f 59.14589 3.712367  758.9854       89.69025 1029.622       
135.1862 546.1906       119.8725 68.71462 4.686020 49.57715 5.759157 19.13747 
7.424734 
1 1 1 -13 13  28 o 20.60863 5.788404  70.06763       75.82930 38.98889       
109.1027 99.10976       105.4673 19.18713 8.041642 22.03012 8.327935 -2.842995 
11.57681 
1 1 1 -13 13  29 o 24.25182 5.973794  131.8036       77.31085 200.1102       
113.6598 72.98911       105.4674 28.08156 8.727619 20.42208 8.159259 7.659473 
11.94759 
1 1 1 -13 13  30 o 49.04079 4.099854  538.4753       83.50319 655.2347       
128.7008 453.5905       109.7362 53.59052 5.720239 44.49105 5.874870 9.099472 
8.199709 
1 1 1 -13 13  31 o 105.4545 2.716241  2441.138       117.2888 2452.700       
187.5591 2433.714       150.3029 105.1337 4.249299 105.7754 3.384572 
-0.6417007     5.432483 
1 1 1 -13 13  32 o 25.77829 5.941795  178.0043       72.86665 233.8391       
116.5886 142.2148       93.34304 28.48489 8.836609 23.07170 7.945694 5.413195 
11.88359 
1 1 1 -13 14  1  o 133.8889 3.563687  3812.495       198.8510 3540.011       
292.8069 4045.738       270.9040 129.3552 5.391612 138.4225 4.661543 -9.067383 
7.127374 
1 1 1 -13 14  2  o 61.17279 3.805356  774.5365       93.43826 849.4549       
160.3693 736.0325       114.9688 63.30275 6.034202 59.04284 4.638032 4.259907 
7.610712 
1 1 1 -13 14  3  o 147.8344 4.118648  4586.337       214.5596 4710.470       
451.2910 4550.083       243.8868 148.7526 7.226251 146.9162 3.954028 1.836456 
8.237295 
1 1 1 -13 14  4  f 222.5036 5.784870  10377.86       406.2024 10893.49       
991.6697 10273.90       445.2711 224.4663 10.52294 220.5410 4.809016 3.925293 
11.56974 
1 1 1 -13 14  5  o 125.2681 3.908109  3179.798       150.8114 3534.281       
385.6403 3115.797       163.8609 128.8737 7.127534 121.6625 3.208039 7.211128 
7.816217 
1 1 1 -13 14  6  o 61.37103 3.984302  766.8500       82.89397 850.1645       
187.3253 746.5630       92.43700 63.21585 7.058162 59.52621 3.698781 3.689640 
7.968603 
1 1 1 -13 14  7  o 114.6837 3.774763  2601.465       134.6795 3059.638       
344.7526 2518.949       146.3054 119.9737 6.844515 109.3937 3.185586 10.58003 
7.549526 
1 1 1 -13 14  8  o 168.4746 4.817574  5945.260       236.2842 6155.563       
635.1870 5911.484       254.5519 169.4321 8.929497 167.5170 3.619415 1.915039 
9.635148 
1 1 1 -13 14  9  o 95.05945 2.657317  1888.433       98.45249 1946.257       
176.8753 1862.475       118.5080 96.03966 4.386697 94.07923 3.000371 1.960426 
5.314635 
1 1 1 -13 14  10 o 133.6358 2.627375  3786.930       138.2550 3692.849       
240.2759 3833.497       169.0425 132.2982 4.325908 134.9734 2.983106 -2.675186 
5.254750 
1 1 1 -13 14  11 o 238.3827 3.007988  11796.21       248.1165 12330.70       
538.0925 11651.88       279.6164 241.4265 5.308760 235.3388 2.830024 6.087646 
6.015976 
1 1 1 -13 14  12 o 66.18273 2.681786  913.6354       73.14584 972.1645       
116.5541 875.6068       93.95012 67.89122 4.089169 64.47424 3.470820 3.416977 
5.363571 
1 1 1 -13 14  13 o 90.78690 2.511810  1742.863       94.74627 1691.767       
143.6011 1782.254       126.0843 89.57780 3.818372 91.99599 3.264474 -2.418190 
5.023620 
1 1 1 -13 14  14 o 139.8111 2.582434  4057.805       144.6247 4329.777       
248.0009 3917.651       178.0311 143.2237 4.124388 136.3985 3.108906 6.825226 
5.164869 
1 1 1 -13 14  15 o 63.22401 2.725735  848.9210       71.32895 809.5983       
109.0691 878.3069       94.28658 61.90530 4.196574 64.54273 3.479554 -2.637432 
5.451471 
1 1 1 -13 14  16 o 67.68412 2.810124  950.6462       78.19740 1050.654       
126.3495 888.5577       99.55470 70.48446 4.269739 64.88378 3.654657 5.600677 
5.620248 
1 1 1 -13 14  17 o 130.2333 2.352752  3587.874       125.2551 3537.429       
200.7865 3620.010       160.2616 129.4042 3.695788 131.0623 2.912545 -1.658127 
4.705504 
1 1 1 -13 14  18 o 114.1512 2.776426  2761.812       129.9168 2736.665       
206.9124 2778.177       166.9221 113.6209 4.337598 114.6816 3.466900 -1.060661 
5.552851 
1 1 1 -13 14  19 o 56.48529 3.140245  697.2252       72.08267 575.5221       
110.5279 787.2985       95.08648 51.97371 5.065345 60.99688 3.713062 -9.023163 
6.280490 
1 1 1 -13 14  20 o 56.45835 3.282562  674.4313       76.94903 705.9004       
119.0403 651.8441       100.8521 57.53272 4.928335 55.38399 4.337322 2.148735 
6.565124 
1 1 1 -13 14  21 o 66.34424 3.394770  929.4506       93.21570 1000.870       
146.6652 881.0493       120.7387 68.38394 5.108506 64.30453 4.472250 4.079414 
6.789539 
1 1 1 -13 14  22 o 69.60091 3.372957  1022.235       96.10467 1103.835       
156.5463 972.8812       121.7471 71.66841 5.202786 67.53342 4.293991 4.134995 
6.745914 
1 1 1 -13 14  23 o 125.1904 3.027536  3354.655       155.3260 3339.838       
247.6850 3364.259       199.4094 124.7061 4.730783 125.6747 3.779365 
-0.9685440     6.055073 
1 1 1 -13 14  24 o 18.60416 5.578728  17.11174       72.88276 30.99927       
122.0180 9.408601       90.87521 20.21742 8.490287 16.99089 7.239051 3.226534 
11.15746 
1 1 1 -13 14  25 o 82.79066 2.722749  1471.497       91.33191 1457.746       
149.7306 1479.645       115.2569 82.25629 4.335732 83.32502 3.294674 -1.068726 
5.445498 
1 1 1 -13 14  26 o 18.67274 5.435672  36.52228       66.50506 58.08703       
110.4778 24.26655       83.28606 20.41906 8.270500 16.92641 7.055844 3.492651 
10.87134 
1 1 1 -13 14  27 o 53.20535 3.204668  610.8929       70.97172 733.8402       
105.6398 509.7484       95.81613 58.12348 4.329092 48.28722 4.726367 9.836262 
6.409336 
1 1 1 -13 14  28 o 43.42692 4.053325  415.6623       72.85001 470.2603       
115.2997 379.3831       93.98720 45.61026 6.021252 41.24358 5.427919 4.366676 
8.106650 
1 1 1 -13 14  29 o 29.96214 5.909755  228.2084       77.29328 211.5807       
110.3028 244.2501       108.3420 28.82046 8.526702 31.10383 8.185119 -2.283367 
11.81951 
1 1 1 -13 14  30 o 42.68581 4.641317  427.5754       83.09921 438.6989       
120.6527 417.5367       114.6194 43.14587 6.660684 42.22577 6.465493 0.9201012 
9.282635 
1 1 1 -13 14  31 o 49.08493 4.176353  558.5187       85.24310 609.4653       
131.7360 521.8218       111.8050 50.74351 6.183653 47.42634 5.615169 3.317169 
8.352705 
1 1 1 -13 14  32 o 32.70596 5.639685  294.6645       75.72670 277.0919       
122.2818 305.5961       96.44626 30.83562 8.931787 34.57629 6.888205 -3.740673 
11.27937 
1 1 1 -13 15  1  o 145.8969 4.701183  4583.419       278.4442 4269.749       
446.8345 4782.546       356.0196 141.5146 7.520841 150.2791 5.642822 -8.764450 
9.402366 
1 1 1 -13 15  2  o 102.6441 3.803152  2169.421       147.3145 2366.354       
283.4434 2096.538       172.4329 105.5828 6.394317 99.70534 4.119293 5.877480 
7.606305 
1 1 1 -13 15  3  o 88.03230 3.515163  1599.756       118.9346 1732.359       
221.5323 1546.057       140.9740 90.42420 5.835438 85.64040 3.920861 4.783798 
7.030326 
1 1 1 -13 15  4  o 120.8986 3.852027  3076.821       151.6741 3118.908       
353.6044 3067.332       167.9047 121.0972 6.955121 120.7001 3.313420 0.3971176 
7.704054 
1 1 1 -13 15  5  o 50.06447 4.146672  472.2063       77.49049 665.5003       
159.1514 412.1429       88.71681 55.95665 6.774539 44.17229 4.783845 11.78437 
8.293344 
1 1 1 -13 15  6  o 155.8834 3.633505  4863.823       159.1134 5516.906       
456.8048 4773.646       169.7434 161.1150 6.753295 150.6517 2.683736 10.46330 
7.267010 
1 1 1 -13 15  7  o 111.6597 2.974093  2637.164       113.9393 2617.274       
246.8082 2642.551       128.4458 111.2354 5.284910 112.0841 2.729588 
-0.8486710     5.948186 
1 1 1 -13 15  8  o 241.3671 5.629047  12233.83       317.9630 12699.36       
1094.399 12190.91       332.2970 242.1072 10.76686 240.6269 3.289298 1.480316 
11.25809 
1 1 1 -13 15  9  o 179.1062 3.343822  6710.029       223.1232 6920.697       
432.6556 6633.703       260.4250 180.7489 5.701482 177.4636 3.495381 3.285355 
6.687644 
1 1 1 -13 15  10 o 136.6692 2.921955  3815.498       153.4758 4249.988       
287.7231 3642.707       181.4448 141.8120 4.832623 131.5265 3.285886 10.28554 
5.843910 
1 1 1 -13 15  11 o 121.4144 2.082970  3068.002       99.01962 3197.765       
176.8834 3008.778       119.4985 123.2088 3.419531 119.6200 2.379468 3.588799 
4.165940 
1 1 1 -13 15  12 o 100.3443 2.483111  2123.858       103.0338 2110.246       
159.9227 2133.519       134.7206 100.0350 3.807844 100.6536 3.188054 
-0.6185913     4.966223 
1 1 1 -13 15  13 o 71.11952 2.688699  1070.667       79.89138 1023.704       
117.3641 1111.218       109.0594 69.64117 4.014118 72.59786 3.578166 -2.956688 
5.377398 
1 1 1 -13 15  14 o 78.60576 2.550122  1292.860       82.95801 1364.438       
130.1424 1243.869       107.6678 80.39599 3.855719 76.81552 3.338551 3.580467 
5.100244 
1 1 1 -13 15  15 o 197.8653 3.536616  8351.566       285.4138 8099.993       
458.0275 8511.263       364.9267 195.1595 5.590143 200.5711 4.333694 -5.411621 
7.073232 
1 1 1 -13 15  16 o 53.15347 2.941144  600.4789       64.13265 585.3403       
101.4735 610.5479       82.75636 52.54552 4.599792 53.76141 3.666501 -1.215893 
5.882288 
1 1 1 -13 15  17 o 72.49460 2.755147  1114.914       82.55316 1094.667       
127.9055 1129.371       108.0786 71.87666 4.238599 73.11253 3.521024 -1.235863 
5.510293 
1 1 1 -13 15  18 o 135.6698 2.739246  3875.427       149.9045 3975.346       
250.7493 3819.854       187.0006 136.8670 4.363771 134.4725 3.312306 2.394470 
5.478492 
1 1 1 -13 15  19 o 77.05479 2.309740  1235.654       73.37244 1353.707       
117.3603 1159.905       94.01022 79.99200 3.494587 74.11760 3.021168 5.874397 
4.619479 
1 1 1 -13 15  20 o 50.95628 4.281212  577.9468       88.28704 463.2138       
134.8772 663.9596       116.7821 46.17271 6.957837 55.73986 4.990353 -9.567150 
8.562425 
1 1 1 -13 15  21 f 79.82552 3.104435  1342.532       102.2393 1446.159       
162.6411 1274.828       131.4615 82.24625 4.710155 77.40480 4.045309 4.841446 
6.208871 
1 1 1 -13 15  22 o 23.16035 5.788522  98.42091       77.94540 -10.79383      
122.4148 172.8922       101.0853 18.78126 8.206435 27.53945 8.165928 -8.758188 
11.57704 
1 1 1 -13 15  23 o 53.28226 3.821043  625.1961       81.08216 582.7777       
135.5358 648.8381       101.1856 51.56137 6.261099 55.00316 4.381795 -3.441784 
7.642087 
1 1 1 -13 15  24 o 70.65677 3.182248  1053.387       91.04750 1159.473       
153.0683 995.3028       113.2626 73.14697 4.984366 68.16657 3.957640 4.980392 
6.364497 
1 1 1 -13 15  25 o 32.89845 5.354927  254.1921       70.24590 256.1235       
117.4246 253.1157       87.66154 32.60102 8.494680 33.19588 6.522374 
-0.5948524     10.70985 
1 1 1 -13 15  26 o 31.25499 6.004893  221.8351       79.25018 317.4669       
132.9049 169.0707       98.72123 35.89183 8.861513 26.61814 8.106080 9.273695 
12.00979 
1 1 1 -13 15  27 o 93.97658 3.295284  1941.072       128.4432 1873.264       
195.2126 1992.837       170.5645 92.19441 5.043411 95.75874 4.242593 -3.564331 
6.590569 
1 1 1 -13 15  28 o 37.49467 5.452179  343.7400       82.69167 327.4303       
121.8286 357.6730       112.6029 36.32374 8.184872 38.66559 7.205062 -2.341846 
10.90436 
1 1 1 -13 15  29 o 22.32840 5.908460  104.8876       77.92905 46.92742       
112.2980 158.7257       108.2311 19.40088 8.146134 25.25591 8.560378 -5.855032 
11.81692 
1 1 1 -13 15  30 o 28.64932 5.692017  214.0444       78.93656 99.09892       
114.5529 317.9745       108.9258 21.66347 8.550932 35.63518 7.515170 -13.97171 
11.38403 
1 1 1 -13 15  31 o 36.37016 5.431134  337.6935       79.61992 391.4709       
123.1595 299.0804       104.3604 38.73789 7.846611 34.00243 7.511296 4.735458 
10.86227 
1 1 1 -13 15  32 o 14.42012 4.756330  -74.25618      75.74690 -194.8482      
116.5512 13.92337       99.66468 12.42144 6.130741 16.41880 7.273564 -3.997355 
9.512661 
1 1 1 -13 16  1  o 85.31978 3.738277  1462.244       122.8492 1741.558       
232.4223 1353.957       144.7166 90.55882 6.113193 80.08075 4.304385 10.47807 
7.476554 
1 1 1 -13 16  2  o 25.28407 6.376159  94.94250       83.92924 195.2201       
144.3015 43.67778       103.1759 30.44559 9.884262 20.12253 8.057480 10.32306 
12.75232 
1 1 1 -13 16  3  o 34.36718 5.932495  278.4524       88.51169 148.8204       
146.8046 352.4889       110.9447 28.01164 9.933195 40.72272 6.489194 -12.71108 
11.86499 
1 1 1 -13 16  4  o 151.2974 4.603154  4737.293       221.5570 5065.520       
538.6622 4670.458       243.0697 153.7665 8.344030 148.8283 3.890151 4.938171 
9.206308 
1 1 1 -13 16  5  o 156.5932 3.782460  5102.225       188.7154 5328.809       
455.7813 5055.343       207.3214 158.2329 6.860897 154.9535 3.186866 3.279373 
7.564920 
1 1 1 -13 16  6  o 182.6002 4.237475  6745.884       239.6267 7572.090       
609.8039 6595.008       260.5893 188.2737 7.714747 176.9266 3.508200 11.34703 
8.474951 
1 1 1 -13 16  7  o 146.6523 4.366056  4615.968       162.7433 4502.455       
504.2111 4629.169       171.9461 144.9735 8.284090 148.3312 2.761093 -3.357681 
8.732112 
1 1 1 -13 16  8  o 155.5841 4.393736  4530.171       146.3454 5901.495       
587.1580 4439.338       151.1145 165.8808 8.431018 145.2875 2.477416 20.59326 
8.787472 
1 1 1 -13 16  9  o 148.4277 2.250722  4605.734       128.6831 4723.856       
235.8647 4555.674       153.5490 149.6812 3.753331 147.1743 2.485056 2.506882 
4.501444 
1 1 1 -13 16  10 o 100.2942 2.685717  2065.639       105.6706 2277.573       
190.3812 1971.276       127.0357 103.8380 4.367059 96.75044 3.127475 7.087517 
5.371434 
1 1 1 -13 16  11 o 127.7724 2.467519  3463.305       121.8368 3385.681       
219.3635 3497.932       146.5131 126.6228 4.126419 128.9219 2.706891 -2.299057 
4.935037 
1 1 1 -13 16  12 o 190.7360 3.401706  7609.318       256.3744 7980.890       
450.3257 7431.135       311.8441 193.8739 5.532588 187.5981 3.959406 6.275803 
6.803413 
1 1 1 -13 16  13 o 46.63293 3.528744  469.6893       67.49248 412.3557       
103.2622 512.4488       89.17698 44.04321 5.584487 49.22266 4.315278 -5.179443 
7.057487 
1 1 1 -13 16  14 o 66.63919 2.915846  916.8602       80.59853 1110.136       
125.8897 782.6078       104.9211 72.44693 4.138962 60.83146 4.108239 11.61547 
5.831692 
1 1 1 -13 16  15 o 75.90636 2.634136  1190.383       82.40536 1358.382       
132.6326 1084.758       105.1668 80.13998 3.942050 71.67273 3.494988 8.467247 
5.268273 
1 1 1 -13 16  16 o 63.98674 2.591106  844.5762       68.10633 965.7325       
110.8430 771.0926       86.32379 67.55221 3.908316 60.42127 3.402998 7.130939 
5.182213 
1 1 1 -13 16  17 o 85.48730 2.587064  1561.765       91.72501 1419.568       
136.8698 1677.694       123.5829 81.85793 3.982613 89.11669 3.303090 -7.258766 
5.174129 
1 1 1 -13 16  18 o 72.05835 2.394749  1102.507       71.70612 1063.922       
108.4092 1132.517       95.60835 70.89178 3.642431 73.22491 3.109983 -2.333138 
4.789499 
1 1 1 -13 16  19 f 37.17073 5.309962  310.2247       79.42603 320.9917       
121.1670 302.1125       105.1739 37.61655 7.921162 36.72491 7.073754 0.8916435 
10.61992 
1 1 1 -13 16  20 o 78.54789 3.052397  1329.948       98.44844 1233.668       
152.9718 1398.021       128.6260 75.95557 4.797035 81.14021 3.775841 -5.184647 
6.104795 
1 1 1 -13 16  21 o 118.9417 3.185639  2990.595       151.8644 3144.883       
258.9539 2909.714       187.4908 120.9418 5.099962 116.9416 3.818845 4.000221 
6.371279 
1 1 1 -13 16  22 o 45.61004 4.512957  447.7964       85.41087 509.2445       
133.8080 405.5453       110.9549 48.13046 6.621906 43.08961 6.133310 5.040848 
9.025914 
1 1 1 -13 16  23 o 59.43934 3.604623  756.5172       88.75428 819.4362       
139.2859 713.5055       115.1620 61.38081 5.405001 57.49787 4.770659 3.882938 
7.209245 
1 1 1 -13 16  24 o 62.87338 3.492787  849.7627       88.74850 891.2394       
148.2917 826.6169       110.7773 63.78651 5.537440 61.96025 4.258520 1.826256 
6.985574 
1 1 1 -13 16  25 o 96.56520 3.301270  1997.243       123.3884 2103.293       
224.8050 1951.521       147.6100 97.75402 5.477627 95.37638 3.686344 2.377640 
6.602540 
1 1 1 -13 16  26 o 15.17234 4.997442  -70.03972      74.78420 -89.73190      
124.7792 -59.00131      93.42184 16.02098 7.492662 14.32370 6.614962 1.697288 
9.994884 
1 1 1 -13 16  27 o 61.35349 3.649193  841.2573       92.98870 757.6721       
136.8587 912.9348       126.7357 58.21149 5.599957 64.49550 4.680483 -6.284012 
7.298386 
1 1 1 -13 16  28 o 26.01957 6.064250  166.4753       78.96332 117.0771       
113.1427 213.3846       110.2553 23.03110 8.645033 29.00805 8.506697 -5.976946 
12.12850 
1 1 1 -13 16  29 o 17.72050 5.228937  13.30053       69.39928 -61.85150      
95.67313 96.75549       100.8198 14.15815 6.597875 21.28285 8.113888 -7.124701 
10.45787 
1 1 1 -13 16  30 o 40.32655 5.241159  400.6208       85.05647 573.1334       
126.7438 259.2678       114.7279 49.47128 6.102315 31.18183 8.522954 18.28945 
10.48232 
1 1 1 -13 16  31 o 51.85506 4.208850  651.2822       89.05829 579.8610       
137.0147 703.5316       117.1909 48.48175 6.731471 55.22836 5.054204 -6.746616 
8.417700 
1 1 1 -13 16  32 o 16.70318 5.250514  3.910893       74.80515 62.18502       
111.0569 -44.48614      101.2085 18.87028 8.020057 14.53608 6.778663 4.334200 
10.50103 
1 1 1 -13 17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 17  2  o 181.7314 4.889305  7066.251       352.4329 7029.388       
605.8986 7085.103       433.2704 180.8396 7.980450 182.6232 5.650986 -1.783508 
9.778610 
1 1 1 -13 17  3  o 58.02838 4.477543  803.9490       93.34615 532.5208       
166.9950 927.2991       112.5759 49.79052 7.988730 66.26624 4.046451 -16.47572 
8.955087 
1 1 1 -13 17  4  o 72.94028 3.634231  1027.120       99.16947 1354.766       
200.8594 921.5065       114.0380 79.82417 5.993478 66.05640 4.112026 13.76777 
7.268461 
1 1 1 -13 17  5  o 27.28718 5.904500  171.4675       75.37493 56.73176       
147.3773 212.1103       87.71485 23.64706 9.562880 30.92731 6.928480 -7.280251 
11.80900 
1 1 1 -13 17  6  o 112.1712 3.736765  2751.110       151.4640 2500.560       
297.5276 2838.757       175.9732 108.3219 6.542323 116.0205 3.612707 -7.698616 
7.473530 
1 1 1 -13 17  7  o 155.5265 4.384930  4774.949       160.9019 5619.678       
566.6513 4700.866       167.8092 161.5997 8.352117 149.4533 2.674430 12.14635 
8.769859 
1 1 1 -13 17  8  o 231.0422 4.950244  10764.54       290.5239 12248.61       
933.6063 10605.42       305.7021 237.7494 9.353311 224.3349 3.245807 13.41454 
9.900489 
1 1 1 -13 17  9  o 177.4155 3.999759  6812.705       214.4674 6506.433       
540.0302 6870.055       233.6862 174.2511 7.381822 180.5799 3.082369 -6.328781 
7.999518 
1 1 1 -13 17  10 o 62.36749 2.990318  833.8657       76.82511 752.1567       
117.1511 895.5172       101.7614 59.59943 4.681934 65.13556 3.721224 -5.536133 
5.980637 
1 1 1 -13 17  11 o 133.0860 2.682293  3670.270       136.0362 3908.430       
256.1685 3576.729       160.5439 135.8756 4.490610 130.2965 2.934825 5.579102 
5.364585 
1 1 1 -13 17  12 o 138.7769 2.671104  4047.358       148.9367 4142.199       
251.2575 3995.981       184.9284 139.8990 4.277849 137.6549 3.199875 2.244156 
5.342209 
1 1 1 -13 17  13 o 65.14230 2.882791  873.5748       77.76549 1077.527       
122.1767 734.6741       100.8270 71.36049 4.078040 58.92412 4.075724 12.43637 
5.765582 
1 1 1 -13 17  14 o 78.32970 2.776631  1295.135       90.48979 1321.088       
138.1104 1275.614       119.7816 78.97678 4.165318 77.68262 3.672716 1.294151 
5.553261 
1 1 1 -13 17  15 o 22.54416 5.511492  100.1719       62.83862 107.7505       
97.73969 94.83218       82.04173 23.33259 8.121463 21.75572 7.453054 1.576874 
11.02298 
1 1 1 -13 17  16 o 53.27612 2.884759  587.6213       63.46566 679.9972       
101.5314 528.3798       81.30812 56.60637 4.272245 49.94587 3.877532 6.660503 
5.769518 
1 1 1 -13 17  17 o 38.46543 4.234008  309.4659       65.03191 432.9569       
102.9994 227.6032       83.86102 44.97926 5.454355 31.95159 6.477447 13.02767 
8.468017 
1 1 1 -13 17  18 o 59.74033 4.166939  772.9946       103.7685 690.3998       
149.6931 849.4004       143.9754 56.54177 6.305992 62.93890 5.448668 -6.397121 
8.333878 
1 1 1 -13 17  19 o 24.34241 6.076978  113.2393       81.25468 45.97480       
119.1364 171.7418       111.1063 20.97833 8.555478 27.70649 8.632639 -6.728161 
12.15396 
1 1 1 -13 17  20 o 109.4684 2.943560  2564.685       133.1274 2502.507       
206.0879 2609.211       174.3968 108.1636 4.538292 110.7732 3.749944 -2.609619 
5.887120 
1 1 1 -13 17  21 o 71.45668 3.018331  1077.228       88.06211 1156.764       
144.3224 1030.051       111.1522 73.39176 4.683900 69.52159 3.808198 3.870171 
6.036662 
1 1 1 -13 17  22 o 32.48850 6.012271  248.6834       81.11868 247.1707       
133.8795 249.5609       101.9675 32.19023 9.352751 32.78677 7.557491 
-0.5965385     12.02454 
1 1 1 -13 17  23 o 31.50986 5.987888  240.2634       80.80173 207.9937       
127.1453 262.1255       104.6525 29.56868 9.239123 33.45105 7.619567 -3.882368 
11.97578 
1 1 1 -13 17  24 o 51.95721 3.588097  558.7529       75.38730 706.6277       
129.6003 483.1290       92.68056 56.73328 5.441131 47.18114 4.678874 9.552143 
7.176194 
1 1 1 -13 17  25 o 30.87750 5.891310  239.7422       78.51767 186.7343       
129.0755 270.8790       98.92602 27.85925 9.348432 33.89576 7.171957 -6.036512 
11.78262 
1 1 1 -13 17  26 o 33.71851 5.552674  298.4458       80.37008 165.8783       
131.9923 376.5567       101.3178 26.45974 9.415141 40.97727 5.889303 -14.51753 
11.10535 
1 1 1 -13 17  27 o 69.85768 3.313639  1068.971       96.41776 1114.910       
146.9770 1034.266       127.7469 70.99549 4.931054 68.71987 4.427812 2.275620 
6.627278 
1 1 1 -13 17  28 o 29.45769 5.343151  211.4267       69.74300 126.5169       
95.13432 310.0803       102.5450 23.08438 8.014650 35.83099 7.068409 -12.74661 
10.68630 
1 1 1 -13 17  29 o 29.16666 6.190389  225.5662       82.15148 204.8335       
118.2960 244.8788       114.1731 27.80627 8.941648 30.52705 8.563330 -2.720783 
12.38078 
1 1 1 -13 17  30 o 32.91449 5.998796  293.9523       83.85151 263.5283       
122.3555 320.8943       115.1410 30.82412 8.936428 35.00486 8.005153 -4.180742 
11.99759 
1 1 1 -13 17  31 o 57.64884 3.386975  750.3969       81.22390 901.1911       
123.9246 636.8306       107.5449 62.72637 4.705745 52.57132 4.872613 10.15505 
6.773950 
1 1 1 -13 18  1  o 94.50192 3.714986  1935.753       142.2674 1749.895       
227.1257 2055.760       182.5073 90.51277 5.976922 98.49107 4.413717 -7.978302 
7.429973 
1 1 1 -13 18  2  o 52.54106 4.770277  609.9500       97.85269 539.3635       
167.6329 646.4335       120.5162 49.94100 7.995085 55.14111 5.205842 -5.200111 
9.540554 
1 1 1 -13 18  3  o 102.4969 5.756577  2238.775       247.7159 2238.775       
247.7159 0.000000       0.000000 102.4969 5.756577 ?        ?        ? ? 
1 1 1 -13 18  4  o 70.22697 3.895643  1036.631       113.2535 1123.558       
178.2523 977.7873       146.6597 72.60619 5.847665 67.84775 5.148685 4.758438 
7.791287 
1 1 1 -13 18  5  o 136.1682 3.613775  3863.215       162.0214 4058.163       
375.4178 3818.594       179.6094 137.7631 6.490873 134.5734 3.179003 3.189667 
7.227551 
1 1 1 -13 18  6  o 54.58542 5.138687  688.0208       90.99916 580.4280       
192.6803 718.9088       103.2382 50.87820 9.371739 58.29264 4.218401 -7.414448 
10.27737 
1 1 1 -13 18  7  o 81.64091 3.285320  1404.216       91.99978 1427.213       
200.3418 1398.070       103.5654 81.83858 5.830887 81.44324 3.028870 0.3953323 
6.570639 
1 1 1 -13 18  8  o 40.13847 4.784572  342.1537       71.45894 372.3045       
133.8753 330.1407       84.50398 40.85205 8.093431 39.42488 5.105377 1.427170 
9.569143 
1 1 1 -13 18  9  o 136.4193 2.747825  3873.135       131.4091 4045.976       
279.7065 3824.180       148.8604 138.0837 4.824821 134.7549 2.631211 3.328751 
5.495650 
1 1 1 -13 18  10 o 87.69547 2.771534  1646.761       96.84003 1559.693       
162.9914 1694.266       120.3939 85.77341 4.526193 89.61752 3.199872 -3.844101 
5.543067 
1 1 1 -13 18  11 o 148.0708 2.900611  4472.663       150.2443 4951.866       
325.1061 4342.524       169.4215 152.5989 5.074517 143.5426 2.811311 9.056351 
5.801223 
1 1 1 -13 18  12 o 40.22645 4.028037  347.0957       66.47153 337.8537       
105.0615 353.2646       85.83572 39.70148 6.303156 40.75142 5.017027 -1.049931 
8.056074 
1 1 1 -13 18  13 o 43.39213 3.661623  398.8914       66.06980 417.2072       
101.5701 385.4569       86.98893 44.21341 5.471836 42.57085 4.867127 1.642559 
7.323245 
1 1 1 -13 18  14 o 70.02664 2.888747  1042.109       83.44246 1025.320       
130.1866 1053.815       108.7075 69.48059 4.462968 70.57269 3.668970 -1.092094 
5.777493 
1 1 1 -13 18  15 o 18.23709 5.220686  34.63568       61.34111 24.05325       
96.66135 41.77080       79.37080 18.44913 7.640259 18.02506 7.116790 0.4240665 
10.44137 
1 1 1 -13 18  16 o 157.2558 2.299273  5209.454       143.4097 5287.498       
248.1059 5170.296       175.7420 157.9541 3.741340 156.5574 2.673763 1.396652 
4.598547 
1 1 1 -13 18  17 o 49.89397 4.172461  539.1344       85.91714 421.5550       
119.7480 663.8776       123.3420 44.12844 6.463547 55.65950 5.278284 -11.53106 
8.344922 
1 1 1 -13 18  18 o 54.85897 3.765325  647.0965       86.59763 687.6975       
122.6716 606.7646       122.2645 56.61382 5.161104 53.10412 5.483948 3.509693 
7.530649 
1 1 1 -13 18  19 o 61.61615 3.426718  820.7415       87.81011 754.2587       
129.9269 876.6414       119.1379 59.19300 5.228170 64.03929 4.431231 -4.846287 
6.853435 
1 1 1 -13 18  20 f 81.34869 3.098283  1433.884       104.5032 1247.524       
152.9721 1596.968       143.1010 76.17925 4.782957 86.51814 3.939639 -10.33888 
6.196566 
1 1 1 -13 18  21 o 22.04494 5.553324  92.47968       63.72869 130.6086       
102.8830 68.74195       81.17757 24.51100 8.346198 19.57889 7.327933 4.932108 
11.10665 
1 1 1 -13 18  22 o 26.67012 4.795887  157.4603       71.04290 -41.56411      
110.5126 297.6364       92.74611 16.56002 7.478452 36.78021 6.006238 -20.22019 
9.591775 
1 1 1 -13 18  23 o 71.25024 3.304057  1100.435       97.62866 1102.203       
150.1096 1099.139       128.5253 71.12125 5.027246 71.37922 4.288819 
-0.2579651     6.608114 
1 1 1 -13 18  24 o 73.62021 3.039660  1166.406       88.48473 1193.865       
153.9580 1152.862       108.1270 73.89256 4.962754 73.34787 3.511297 0.5446854 
6.079320 
1 1 1 -13 18  25 o 36.68127 5.507316  326.7277       80.48241 294.4987       
134.1851 344.8363       100.5829 34.19463 9.160157 39.16790 6.116667 -4.973263 
11.01463 
1 1 1 -13 18  26 o 33.28485 5.681128  286.2192       80.90528 192.9770       
132.4433 341.7263       102.1876 27.80646 9.469604 38.76323 6.279128 -10.95677 
11.36226 
1 1 1 -13 18  27 f 43.42617 4.246275  429.6053       74.10084 549.7982       
109.8195 329.1437       100.4015 49.57153 5.276772 37.28082 6.654253 12.29070 
8.492551 
1 1 1 -13 18  28 o 90.21916 3.047219  1792.161       113.8538 1795.194       
175.7869 1789.970       149.4317 89.93128 4.655826 90.50704 3.932616 
-0.5757599     6.094439 
1 1 1 -13 18  29 o 40.86977 4.782762  400.5539       79.40391 420.3275       
122.3043 386.1465       104.3977 41.11492 7.350681 40.62461 6.121006 0.4903069 
9.565523 
1 1 1 -13 18  30 o 23.54890 5.881092  139.4777       74.53200 208.1313       
111.5170 84.05386       100.1976 27.24290 8.673759 19.85490 7.944487 7.388006 
11.76218 
1 1 1 -13 18  31 o 20.09139 5.843331  88.19138       79.83116 64.56776       
118.8147 107.6329       107.7859 19.26612 8.245022 20.91667 8.282372 -1.650545 
11.68666 
1 1 1 -13 19  1  o 34.56153 6.148706  282.3836       89.56065 205.4525       
144.0372 330.8742       114.3544 30.61493 9.868843 38.50814 7.337049 -7.893211 
12.29741 
1 1 1 -13 19  2  o 28.64857 6.718940  176.2696       92.06527 145.7900       
160.0573 191.3402       112.5477 28.01621 10.32785 29.28094 8.597218 -1.264727 
13.43788 
1 1 1 -13 19  3  o 132.6105 4.480744  3845.375       241.7518 3443.133       
380.4639 4117.753       313.0801 126.2736 7.176652 138.9474 5.366930 -12.67383 
8.961489 
1 1 1 -13 19  4  o 154.9377 4.880214  5104.911       317.4497 0.000000       
0.000000 5104.911       317.4497 ?        ?        154.9377 4.880214 ? ? 
1 1 1 -13 19  5  o 25.94928 9.725430  117.0235       143.0809 117.0235       
143.0809 0.000000       0.000000 25.94928 9.725430 ?        ?        ? ? 
1 1 1 -13 19  6  o 85.53168 3.739539  1606.349       129.1949 1348.416       
202.5305 1783.321       167.7601 79.36104 6.078610 91.70233 4.357420 -12.34129 
7.479078 
1 1 1 -13 19  7  o 60.85703 3.951028  806.3193       85.29034 760.3989       
173.5802 820.9348       97.92718 59.41363 6.958815 62.30042 3.743979 -2.886787 
7.902055 
1 1 1 -13 19  8  o 104.5845 2.625592  2365.451       104.4569 2187.583       
190.2866 2442.168       124.9696 101.5328 4.463984 107.6361 2.765461 -6.103256 
5.251184 
1 1 1 -13 19  9  o 123.9060 3.540961  3213.590       138.5874 3351.020       
337.7594 3185.769       151.9691 124.9157 6.440381 122.8963 2.945356 2.019424 
7.081922 
1 1 1 -13 19  10 o 58.84874 3.085664  718.9597       74.35379 805.3169       
121.8444 667.7206       93.85499 61.55063 4.715134 56.14684 3.981558 5.403786 
6.171329 
1 1 1 -13 19  11 o 148.5269 2.266455  4597.741       128.4254 4805.567       
240.3304 4514.676       151.9377 150.6646 3.799431 146.3893 2.472164 4.275269 
4.532909 
1 1 1 -13 19  12 o 16.91374 5.086604  6.640131       61.74186 -3.635097      
100.9163 12.78727       78.05521 17.54340 7.555757 16.28408 6.812099 1.259325 
10.17321 
1 1 1 -13 19  13 o 60.96699 2.859083  777.2204       72.42849 866.0330       
112.6514 714.6367       94.56483 63.86815 4.201199 58.06582 3.879092 5.802330 
5.718167 
1 1 1 -13 19  14 o 63.15154 2.847261  845.6927       74.80129 852.2054       
113.8950 840.7529       99.19247 63.31936 4.284391 62.98373 3.751210 0.3356361 
5.694522 
1 1 1 -13 19  15 o 45.39140 3.592616  440.2312       67.13907 443.1444       
105.9380 438.2757       86.79553 45.43451 5.553759 45.34830 4.558873 
0.8621597E-01  7.185232 
1 1 1 -13 19  16 o 66.66477 3.711997  940.1349       103.1511 1099.956       
156.4713 817.2927       137.1803 71.61835 5.203929 61.71119 5.294791 9.907169 
7.423994 
1 1 1 -13 19  17 o 155.7590 4.438242  5251.888       289.5387 5036.326       
393.3905 5506.687       427.6965 152.3875 6.148874 159.1304 6.401822 -6.742935 
8.876484 
1 1 1 -13 19  18 o 46.19213 4.905743  466.8853       94.73225 530.3198       
138.3378 410.8716       129.9944 49.20520 6.696544 43.17906 7.170883 6.026142 
9.811486 
1 1 1 -13 19  19 o 50.95986 4.160352  570.0275       88.02783 481.7692       
125.5708 655.3116       123.4369 46.88818 6.378911 55.03154 5.342621 -8.143364 
8.320704 
1 1 1 -13 19  20 o 80.90758 2.958036  1400.210       99.80415 1426.843       
150.6674 1379.386       133.2253 81.50194 4.403240 80.31322 3.951125 1.188721 
5.916072 
1 1 1 -13 19  21 f 19.57451 4.949186  25.10349       70.00362 -198.6109      
114.3896 159.0540       88.51395 12.96839 6.336713 26.18063 7.604199 -13.21224 
9.898373 
1 1 1 -13 19  22 o 26.33331 6.239717  155.4832       79.93317 185.4601       
127.3222 135.9823       102.6927 28.06074 9.284724 24.60589 8.338474 3.454851 
12.47943 
1 1 1 -13 19  23 o 65.01294 3.483948  933.2673       92.77082 869.7740       
145.0771 977.1908       120.6657 62.81021 5.501609 67.21567 4.275966 -4.405460 
6.967896 
1 1 1 -13 19  24 f 43.25926 4.681023  454.8483       75.80112 347.5493       
125.3878 516.6468       95.15825 37.87428 8.120178 48.64424 4.659465 -10.76996 
9.362046 
1 1 1 -13 19  25 o 101.1923 3.390340  2232.887       136.6635 2309.013       
234.5397 2193.753       168.1608 101.7799 5.488776 100.6046 3.981327 1.175217 
6.780680 
1 1 1 -13 19  26 o 27.38132 6.090702  193.0181       79.03343 142.2575       
134.4716 219.8056       97.68613 24.92965 9.409598 29.83298 7.736024 -4.903328 
12.18140 
1 1 1 -13 19  27 o 57.81816 3.276229  737.5212       78.56409 756.4399       
121.3615 723.8737       103.0771 58.23306 4.964007 57.40327 4.277072 0.8297882 
6.552458 
1 1 1 -13 19  28 o 65.52359 3.417898  961.9470       93.92911 953.8925       
135.4676 969.4045       130.3517 65.15720 4.952154 65.88998 4.712141 
-0.7327728     6.835795 
1 1 1 -13 19  29 o 28.88738 6.231912  227.9135       82.95292 272.3118       
122.3023 190.0868       112.8886 31.37100 8.883319 26.40375 8.742628 4.967251 
12.46382 
1 1 1 -13 19  30 o 17.16847 5.367805  5.947438       76.99799 73.79034       
116.5466 -46.59993      102.5706 19.69320 8.285225 14.64375 6.827034 5.049443 
10.73561 
1 1 1 -13 20  1  o 22.52319 5.810761  8.694314       82.35500 216.3970       
136.0243 -111.5003      103.4756 30.94716 9.533561 14.09922 6.646127 16.84794 
11.62152 
1 1 1 -13 20  2  o 78.83445 4.001392  1380.176       124.8823 1175.839       
205.6814 1499.489       157.1683 73.72623 6.644987 83.94267 4.459675 -10.21645 
8.002784 
1 1 1 -13 20  3  o 29.58167 6.444152  196.5646       87.84871 174.4330       
136.1801 212.3389       114.9694 28.57020 9.602267 30.59314 8.596793 -2.022934 
12.88830 
1 1 1 -13 20  4  o 88.69235 3.423067  1654.044       124.9711 1788.700       
200.3902 1568.340       159.8684 91.49866 5.216543 85.88604 4.433648 5.612617 
6.846135 
1 1 1 -13 20  5  o 32.54721 6.490081  224.9995       93.77847 338.1548       
148.5287 149.9877       120.9309 38.34996 9.306226 26.74446 9.048688 11.60550 
12.98016 
1 1 1 -13 20  6  o 35.38943 10.91067  286.2311       178.1119 0.000000       
0.000000 286.2311       178.1119 ?        ?        35.38943 10.91067 ? ? 
1 1 1 -13 20  7  o 26.20751 6.635832  127.6122       90.24557 168.6329       
148.9950 103.8429       113.4171 28.65445 10.02219 23.76057 8.700153 4.893881 
13.27166 
1 1 1 -13 20  8  o 25.13363 5.917275  132.3105       71.21040 130.1811       
119.8213 133.4733       88.54375 25.52688 8.981865 24.74038 7.706017 0.7865067 
11.83455 
1 1 1 -13 20  9  o 49.44141 3.760824  500.8558       72.53658 582.0507       
133.3345 466.7240       86.44853 52.02572 6.104434 46.85711 4.394436 5.168610 
7.521648 
1 1 1 -13 20  10 o 78.67038 2.913502  1304.335       89.13052 1339.743       
160.5203 1288.552       107.1697 79.27257 4.823120 78.06820 3.269782 1.204369 
5.827003 
1 1 1 -13 20  11 o 77.75348 2.643821  1249.941       83.45491 1402.764       
140.0109 1165.724       103.9367 81.27280 4.103343 74.23415 3.334926 7.038651 
5.287642 
1 1 1 -13 20  12 o 56.89854 3.040427  681.5004       71.03693 722.6617       
114.3305 655.6181       90.66045 58.21425 4.677932 55.58283 3.885065 2.631424 
6.080853 
1 1 1 -13 20  13 o 71.44373 2.673249  1046.092       78.39030 1262.266       
128.4637 917.8429       98.94803 77.08376 3.969527 65.80371 3.581606 11.28004 
5.346498 
1 1 1 -13 20  14 o 22.52641 5.379538  95.95039       61.45973 153.5409       
95.59331 55.37114       80.24242 26.21734 7.975157 18.83549 7.221812 7.381849 
10.75908 
1 1 1 -13 20  15 o 25.44313 6.005446  136.5361       78.62463 73.15876       
116.3794 189.7513       106.6417 22.06042 8.644917 28.82583 8.338281 -6.765409 
12.01089 
1 1 1 -13 20  16 o 137.6854 3.899360  4088.490       224.8053 4164.675       
331.3946 4023.546       305.9707 138.7485 5.689028 136.6223 5.334321 2.126175 
7.798720 
1 1 1 -13 20  17 o 113.1538 3.600073  2725.901       169.9728 2406.256       
226.5990 3137.133       257.0205 105.6516 5.108609 120.6560 5.073876 -15.00437 
7.200147 
1 1 1 -13 20  18 o 58.30421 4.054970  742.7346       98.64368 650.6362       
139.4521 834.9684       139.5545 54.53975 6.090219 62.06866 5.355406 -7.528912 
8.109941 
1 1 1 -13 20  19 o 71.19798 3.655217  1097.843       109.1081 1127.047       
159.2994 1072.035       149.7476 72.04528 5.266591 70.35069 5.070055 1.694595 
7.310433 
1 1 1 -13 20  20 o 37.58025 5.445725  345.8524       81.93830 245.1905       
130.4217 411.4931       105.3183 31.86930 9.222037 43.29119 5.794627 -11.42189 
10.89145 
1 1 1 -13 20  21 o 64.86358 3.556951  920.5909       96.42297 857.5209       
139.6568 978.0424       133.2911 62.59334 5.314411 67.13382 4.729127 -4.540478 
7.113903 
1 1 1 -13 20  22 f 50.73241 4.310809  573.5859       90.46200 573.9099       
140.1121 573.3544       118.4613 50.48515 6.610482 50.97966 5.534781 
-0.4945107     8.621617 
1 1 1 -13 20  23 o 60.06190 3.852664  806.2927       93.91426 764.1415       
150.9494 832.9125       119.9581 58.33431 6.163516 61.78949 4.624192 -3.455181 
7.705328 
1 1 1 -13 20  24 o 28.71043 5.508461  215.2682       71.85175 115.1210       
120.9854 269.8368       89.30698 23.43330 8.901596 33.98757 6.491085 -10.55427 
11.01692 
1 1 1 -13 20  25 o 66.76068 3.561393  970.0093       96.07754 1058.436       
161.7650 921.8157       119.4230 68.63269 5.614027 64.88866 4.383694 3.744026 
7.122785 
1 1 1 -13 20  26 o 32.20520 6.071520  269.2000       82.07174 250.9304       
137.3796 279.3389       102.3419 30.67285 9.607696 33.73756 7.426008 -3.064705 
12.14304 
1 1 1 -13 20  27 o 30.86761 6.177331  248.9577       82.92232 266.0981       
127.4556 236.3778       109.1912 31.52924 9.114283 30.20598 8.340715 1.323261 
12.35466 
1 1 1 -13 20  28 o 25.73883 5.597655  153.1488       82.08015 -8.750321      
117.8192 305.8231       114.4134 17.22022 7.752098 34.25744 8.077127 -17.03722 
11.19531 
1 1 1 -13 20  29 o 18.25966 5.608671  35.69958       80.86677 4.054461       
117.1597 64.49359       111.7573 17.23771 7.746809 19.28161 8.112687 -2.043896 
11.21734 
1 1 1 -13 20  30 o 66.47002 6.795466  1233.475       163.3356 1381.526       
307.8079 1175.447       192.7045 64.39946 11.82653 68.54057 6.696768 -4.141106 
13.59093 
1 1 1 -13 21  1  o 34.55362 6.046027  223.0644       89.65044 483.8704       
159.4405 102.4856       108.4115 45.88282 8.594727 23.22442 8.505789 22.65840 
12.09205 
1 1 1 -13 21  2  o 28.90931 6.451277  193.3867       87.51315 129.7213       
154.6084 223.4008       106.1558 26.64018 10.07946 31.17844 8.054842 -4.538258 
12.90255 
1 1 1 -13 21  3  o 57.49802 4.426115  705.9211       103.5195 759.3585       
171.2608 675.1568       129.9452 58.98775 6.915400 56.00829 5.526230 2.979469 
8.852230 
1 1 1 -13 21  4  o 103.2723 3.727595  2288.908       151.4017 2288.633       
264.8506 2289.042       184.5241 102.8681 6.132554 103.6765 4.239298 
-0.8084183     7.455190 
1 1 1 -13 21  5  o 43.15918 5.724297  452.1070       95.73609 299.5192       
153.3554 549.5485       122.5494 35.81335 9.882635 50.50500 5.779602 -14.69165 
11.44859 
1 1 1 -13 21  6  o 78.25450 3.992833  1339.476       127.2112 1215.079       
200.6769 1423.045       164.4816 74.90295 6.381451 81.60605 4.800828 -6.703094 
7.985666 
1 1 1 -13 21  7  o 41.95649 5.703190  425.4451       92.67373 295.6320       
151.9376 502.3520       116.9469 35.61330 9.840980 48.29969 5.767205 -12.68639 
11.40638 
1 1 1 -13 21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 21  9  o 34.62482 6.235028  287.2368       89.39335 225.2122       
152.7969 319.5146       110.2261 31.57031 10.16327 37.67932 7.225661 -6.109013 
12.47006 
1 1 1 -13 21  10 o 21.60506 5.634925  86.21120       64.81851 62.23044       
117.5926 96.67739       77.68605 21.64916 8.626157 21.56096 7.252512 
0.8819771E-01  11.26985 
1 1 1 -13 21  11 f 57.17932 3.118357  699.4924       72.95155 688.4556       
116.5211 706.6074       93.55653 56.70079 4.894820 57.65786 3.864886 
-0.9570694     6.236714 
1 1 1 -13 21  12 o 16.50931 4.963520  5.237812       60.79211 -42.76641      
99.02924 34.26826       77.01063 15.73276 7.093431 17.28585 6.944736 -1.553097 
9.927039 
1 1 1 -13 21  13 o 48.72131 3.595471  425.3069       66.68530 750.3040       
133.2332 316.6762       77.02805 59.00378 5.378406 38.43884 4.773091 20.56494 
7.190942 
1 1 1 -13 21  14 o 95.95711 3.230101  1982.253       128.9623 1887.016       
192.9454 2059.155       173.3799 93.71712 4.903844 98.19710 4.205534 -4.479980 
6.460201 
1 1 1 -13 21  15 o 113.6285 3.538779  2773.722       168.5262 2561.564       
232.2347 3009.721       244.9363 109.0104 5.074350 118.2467 4.933843 -9.236336 
7.077559 
1 1 1 -13 21  16 o 75.58994 3.705581  1238.912       117.2682 1195.080       
170.3479 1278.395       161.6763 74.21659 5.467100 76.96329 5.003613 -2.746704 
7.411162 
1 1 1 -13 21  17 o 53.46818 3.956911  618.5201       88.39982 666.9420       
133.1715 580.3759       118.1964 55.27548 5.738521 51.66088 5.449584 3.614601 
7.913823 
1 1 1 -13 21  18 o 47.55508 4.830748  502.9854       95.97903 570.4454       
138.5582 440.7567       133.0773 50.74486 6.503712 44.36529 7.144664 6.379574 
9.661495 
1 1 1 -13 21  19 o 34.98655 6.275070  292.6927       93.60849 373.8774       
137.4777 222.5196       127.8147 39.57683 8.517900 30.39626 9.216909 9.180573 
12.55014 
1 1 1 -13 21  20 o 37.10448 5.929556  329.8482       89.96616 344.3714       
133.0677 317.6202       122.1012 37.76936 8.584230 36.43961 8.182268 1.329750 
11.85911 
1 1 1 -13 21  21 o 105.4803 3.566777  2435.553       157.6924 2255.622       
220.5145 2623.870       225.5938 101.3742 5.181202 109.5863 4.903340 -8.212029 
7.133554 
1 1 1 -13 21  22 o 21.15749 6.013182  69.10906       83.21120 21.36238       
128.7501 103.3596       109.0460 19.77572 8.525971 22.53925 8.481817 -2.763523 
12.02636 
1 1 1 -13 21  23 o 43.28641 5.034142  414.8799       87.02915 583.4570       
141.9375 313.3214       110.1683 50.47187 6.698366 36.10095 7.516798 14.37093 
10.06828 
1 1 1 -13 21  24 o 20.46955 5.751625  69.35988       70.27429 99.27329       
121.5729 54.34928       86.11974 22.47149 8.828306 18.46760 7.374669 4.003895 
11.50325 
1 1 1 -13 21  25 o 87.95699 2.974765  1632.752       104.0532 1888.884       
183.6915 1511.736       126.2641 92.36295 4.737098 83.55104 3.599557 8.811905 
5.949531 
1 1 1 -13 21  26 o 22.30817 5.973720  110.7248       79.86835 38.07570       
135.0276 149.8208       99.05445 20.09894 8.699107 24.51739 8.189434 -4.418447 
11.94744 
1 1 1 -13 21  27 o 26.67860 5.651226  146.2007       82.18192 347.8263       
126.4293 -1.326747      108.1462 36.42340 8.428256 16.93379 7.530599 19.48961 
11.30245 
1 1 1 -13 21  28 o 66.37038 3.569786  1013.482       98.69336 875.9805       
139.0826 1152.942       140.0697 61.42209 5.393480 71.31868 4.678018 -9.896587 
7.139571 
1 1 1 -13 21  29 o 15.91997 5.190587  -28.52931      80.91819 -18.41086      
116.8431 -37.85476      112.1710 16.34516 7.487098 15.49479 7.191116 0.8503742 
10.38117 
1 1 1 -13 22  1  o 66.52651 4.045193  947.2817       110.9940 1050.795       
177.4797 880.7911       142.2430 69.29594 6.100451 63.75709 5.314024 5.538845 
8.090386 
1 1 1 -13 22  2  o 47.58913 5.205801  534.3563       93.02699 435.4779       
156.8340 588.0289       115.5489 43.03622 8.974431 52.14204 5.278358 -9.105820 
10.41160 
1 1 1 -13 22  3  o 48.45793 4.732233  516.9519       94.65054 510.3066       
147.1844 521.6379       123.5964 47.98394 7.306122 48.93192 6.016368 
-0.9479790     9.464465 
1 1 1 -13 22  4  o 37.38382 6.185693  321.8435       93.77766 355.8477       
149.9620 300.0067       120.1738 38.79364 9.311770 35.97400 8.145066 2.819641 
12.37139 
1 1 1 -13 22  5  o 73.91240 3.963714  1198.439       119.9961 1098.437       
186.7717 1268.734       156.5900 70.97176 6.268253 76.85303 4.853155 -5.881279 
7.927428 
1 1 1 -13 22  6  o 25.11321 6.366274  105.0178       86.08953 207.6346       
140.7108 43.62552       108.8366 30.15722 9.757516 20.06919 8.179773 10.08802 
12.73255 
1 1 1 -13 22  7  o 33.99921 6.434731  275.8655       92.11758 241.1286       
154.1945 295.1434       114.8692 32.18863 10.19435 35.80978 7.854829 -3.621143 
12.86946 
1 1 1 -13 22  8  o 70.65449 3.940593  1039.573       111.8507 1217.622       
193.6753 950.4711       137.0084 74.79241 6.167907 66.51656 4.906122 8.275848 
7.881187 
1 1 1 -13 22  9  o 64.93140 4.089602  922.0915       100.9739 893.9787       
185.6753 933.8968       120.3214 63.77029 6.935167 66.09251 4.336222 -2.322227 
8.179203 
1 1 1 -13 22  10 o 22.39298 9.341588  43.79193       146.1565 43.79193       
146.1565 0.000000       0.000000 22.39298 9.341588 ?        ?        ? ? 
1 1 1 -13 22  11 o 67.51781 3.169140  973.0397       89.40947 1013.768       
134.1442 940.4827       119.9340 68.73231 4.648704 66.30331 4.308519 2.429001 
6.338280 
1 1 1 -13 22  12 o 89.92874 2.820540  1674.030       98.04719 1862.156       
181.6635 1596.705       116.4670 93.11630 4.646896 86.74119 3.198147 6.375114 
5.641081 
1 1 1 -13 22  13 o 91.05140 3.209648  1785.839       122.2332 1697.864       
177.8114 1864.662       168.3076 88.81238 4.768778 93.29042 4.297221 -4.478043 
6.419295 
1 1 1 -13 22  14 o 90.32039 3.352637  1750.697       126.8543 1868.298       
187.0648 1650.574       172.6045 93.09521 4.786143 87.54556 4.696119 5.549660 
6.705274 
1 1 1 -13 22  15 o 116.1421 3.714405  2926.341       180.9922 2779.475       
252.7160 3081.000       259.3357 113.1015 5.322131 119.1827 5.182869 -6.081238 
7.428809 
1 1 1 -13 22  16 o 99.09142 3.508387  2111.417       145.2672 1857.309       
196.6433 2416.682       215.5311 92.51519 5.062758 105.6676 4.858352 -13.15246 
7.016773 
1 1 1 -13 22  17 o 84.34564 3.531042  1545.869       124.6603 1394.456       
174.1949 1704.815       178.4757 79.99927 5.186455 88.69201 4.793090 -8.692741 
7.062084 
1 1 1 -13 22  18 o 57.45763 4.136844  734.9559       98.83275 647.9305       
143.2365 814.0400       136.5447 53.94451 6.324521 60.97075 5.334263 -7.026241 
8.273688 
1 1 1 -13 22  19 o 100.7699 3.671557  2221.826       155.1743 2304.387       
225.7495 2147.878       213.6494 102.4975 5.246078 99.04233 5.138093 3.455139 
7.343114 
1 1 1 -13 22  20 o 57.39680 4.124288  741.8482       97.41693 587.0515       
138.6802 892.6396       136.8743 51.03442 6.472505 63.75918 5.113286 -12.72477 
8.248576 
1 1 1 -13 22  21 o 69.07925 3.312745  1052.668       95.13920 932.5809       
138.4604 1160.078       130.9479 65.07788 5.067728 73.08062 4.267932 -8.002739 
6.625489 
1 1 1 -13 22  22 f 73.32549 3.845092  1205.974       117.3453 1098.872       
171.8902 1299.455       160.5884 69.91748 5.855803 76.73350 4.984828 -6.816017 
7.690184 
1 1 1 -13 22  23 o 39.37522 5.415843  358.7329       83.56123 451.0995       
141.5345 309.3099       103.5308 42.80951 8.167768 35.94093 7.114279 6.868580 
10.83169 
1 1 1 -13 22  24 o 102.2223 3.064793  2275.135       124.7324 2356.003       
214.3916 2233.756       153.3594 102.8843 4.963405 101.5603 3.596725 1.323936 
6.129586 
1 1 1 -13 22  25 o 25.39420 6.343670  157.9226       81.63288 181.7029       
138.2424 145.1911       101.1518 26.55447 9.616743 24.23393 8.275679 2.320543 
12.68734 
1 1 1 -13 22  26 o 29.69540 6.351610  225.9008       82.93319 295.3448       
140.6532 188.8907       102.6815 32.51350 9.630728 26.87729 8.283772 5.636202 
12.70322 
1 1 1 -13 22  27 o 25.10333 5.740226  171.3124       75.01723 84.78606       
117.9648 230.0633       97.20438 20.62971 8.479869 29.57695 7.739031 -8.947239 
11.48045 
1 1 1 -13 22  28 o 37.78327 5.070843  368.3403       77.52358 365.6080       
109.0867 371.1282       110.1914 37.65005 7.159522 37.91650 7.182968 
-0.2664528     10.14169 
1 1 1 -13 23  1  o 40.64503 5.620825  390.3334       92.81218 333.2146       
139.3864 435.8305       124.4007 37.10130 9.022793 44.18875 6.705514 -7.087452 
11.24165 
1 1 1 -13 23  2  o 30.14434 6.846013  214.8494       96.59398 218.6890       
156.5072 212.4869       122.7654 30.41637 10.29400 29.87230 9.028023 0.5440712 
13.69203 
1 1 1 -13 23  3  o 40.39940 5.813909  437.6599       91.45431 221.6353       
157.6829 547.1633       112.2656 30.65990 10.33259 50.13889 5.333264 -19.47898 
11.62782 
1 1 1 -13 23  4  o 36.96350 5.675811  348.4490       91.69850 133.0833       
140.4972 508.2719       121.0316 25.79300 9.643078 48.13399 5.989188 -22.34099 
11.35162 
1 1 1 -13 23  5  o 28.18554 6.250883  187.3930       87.65891 90.15393       
139.5089 250.8293       112.6809 23.74561 9.416327 32.62547 8.223559 -8.879858 
12.50177 
1 1 1 -13 23  6  o 63.45889 4.291017  903.4689       109.7167 796.9909       
175.4193 971.8871       140.6153 59.87923 6.977859 67.03854 4.996075 -7.159313 
8.582033 
1 1 1 -13 23  7  o 46.97762 5.545438  576.6201       95.17967 291.7458       
152.5514 758.1981       121.7927 34.70182 9.951789 59.25343 4.895857 -24.55161 
11.09088 
1 1 1 -13 23  8  o 59.69112 4.266305  683.8734       99.02746 1070.328       
189.0670 537.7765       116.2485 69.68342 6.462603 49.69882 5.571373 19.98460 
8.532610 
1 1 1 -13 23  9  o 43.01040 5.295870  442.7639       85.89582 356.0272       
146.2415 488.4471       106.1322 38.58942 9.153101 47.43137 5.329698 -8.841942 
10.59174 
1 1 1 -13 23  10 o 74.18125 3.532003  1169.437       105.3365 1263.655       
179.3325 1119.807       130.1558 76.13451 5.610462 72.22799 4.292192 3.906525 
7.064007 
1 1 1 -13 23  11 o 41.92231 6.454245  388.1260       113.5977 0.000000       
0.000000 388.1260       113.5977 ?        ?        41.92231 6.454245 ? ? 
1 1 1 -13 23  12 o 43.37148 6.247761  454.5512       110.5212 538.5333       
148.5428 350.4057       165.4164 49.03337 7.215740 37.70959 10.20153 11.32378 
12.49552 
1 1 1 -13 23  13 o 32.61899 6.316387  254.1505       91.07970 186.8004       
127.4468 324.4528       130.2100 28.32676 9.289265 36.91121 8.561340 -8.584454 
12.63277 
1 1 1 -13 23  14 o 40.58274 5.181946  367.4185       85.57970 461.8030       
132.5624 299.9712       112.0604 45.39772 6.955165 35.76777 7.683486 9.629955 
10.36389 
1 1 1 -13 23  15 o 23.71832 6.220249  101.1001       88.32259 12.73621       
128.6054 179.9830       121.5104 19.73239 8.514396 27.70426 9.070339 -7.971870 
12.44050 
1 1 1 -13 23  16 o 23.37247 6.266273  95.44186       89.01694 21.51404       
127.3711 166.0261       124.4574 19.92502 8.532190 26.81992 9.179674 -6.894892 
12.53255 
1 1 1 -13 23  17 o 25.45941 6.463785  139.6662       91.25050 75.84469       
133.3488 195.8698       125.1376 22.41011 9.082475 28.50871 9.199495 -6.098608 
12.92757 
1 1 1 -13 23  18 f 106.5214 3.231378  2471.647       144.1762 2411.735       
209.5018 2525.550       198.7172 105.1470 4.745826 107.8959 4.386839 -2.748894 
6.462757 
1 1 1 -13 23  19 o 102.6218 3.403289  2307.356       146.0749 2285.312       
215.3797 2326.133       198.7796 101.9717 5.030908 103.2719 4.584701 -1.300194 
6.806579 
1 1 1 -13 23  20 o 44.89905 4.898910  473.4182       87.43879 438.4808       
136.8122 497.5436       113.6882 42.63737 7.939008 47.16074 5.741901 -4.523369 
9.797820 
1 1 1 -13 23  21 o 39.36880 5.811254  390.0656       94.38130 275.8372       
138.5398 488.9945       128.9285 32.60820 9.527028 46.12941 6.657208 -13.52121 
11.62251 
1 1 1 -13 23  22 o 24.46003 6.010010  120.4858       88.77650 -26.19150      
130.8959 245.4258       120.8079 17.99389 8.131776 30.92617 8.851841 -12.93228 
12.02002 
1 1 1 -13 23  23 o 56.54485 3.696667  722.6065       84.99290 690.1145       
136.1432 743.3572       108.7989 55.00484 5.895441 58.08486 4.461520 -3.080013 
7.393333 
1 1 1 -13 23  24 o 14.03008 4.768588  -116.3082      78.22398 -152.6105      
132.7200 -96.98495      96.83010 14.79746 7.138727 13.26270 6.324263 1.534762 
9.537176 
1 1 1 -13 23  25 o 37.94524 5.671205  346.8639       85.60469 483.3028       
142.7393 270.2260       106.9785 43.49817 8.117986 32.39232 7.921399 11.10585 
11.34241 
1 1 1 -13 23  26 o 52.70351 4.369421  655.4196       92.58965 679.3475       
154.8596 642.1068       115.5096 52.54482 7.019874 52.86219 5.204681 
-0.3173714     8.738841 
1 1 1 -13 23  27 o 37.36511 5.479893  366.6246       84.75079 447.7503       
124.1751 295.8806       115.9578 42.17101 7.013611 32.55921 8.421767 9.611797 
10.95979 
1 1 1 -13 24  1  o 58.90520 4.433567  796.1201       105.9846 676.5665       
163.7087 882.3827       139.0597 54.43721 7.163033 63.37318 5.226569 -8.935970 
8.867134 
1 1 1 -13 24  2  o 47.85120 4.760002  487.9581       92.72976 645.3657       
156.1883 402.2707       115.2376 53.36120 6.971786 42.34121 6.482645 11.01999 
9.520004 
1 1 1 -13 24  3  o 29.61464 6.334837  200.5658       84.47916 277.5361       
136.9474 153.2839       107.3347 33.49814 9.372701 25.73113 8.524855 7.767010 
12.66967 
1 1 1 -13 24  4  o 38.80400 6.204497  363.4525       98.20420 374.2140       
148.7478 355.1376       130.7498 39.08549 9.205935 38.52252 8.320692 0.5629654 
12.40899 
1 1 1 -13 24  5  o 75.34816 3.826593  1250.346       117.2718 1216.770       
189.1657 1271.305       149.4579 74.10635 6.080062 76.58997 4.648020 -2.483612 
7.653185 
1 1 1 -13 24  6  o 35.16219 6.181422  285.1894       90.07555 385.2195       
144.6360 221.8123       115.1270 39.94944 8.857724 30.37494 8.624422 9.574501 
12.36284 
1 1 1 -13 24  7  o 32.93304 6.331771  248.0928       88.19218 338.9844       
145.6305 195.4552       110.8251 37.20502 9.331493 28.66106 8.560871 8.543962 
12.66354 
1 1 1 -13 24  8  f 50.69178 4.537365  576.3668       92.54538 553.3563       
152.2302 589.8565       116.5573 49.44373 7.333489 51.93983 5.345152 -2.496109 
9.074730 
1 1 1 -13 24  9  f 56.45356 4.492354  693.6846       96.20184 743.9305       
181.6129 674.0872       113.4215 57.18848 7.564134 55.71864 4.848595 1.469841 
8.984709 
1 1 1 -13 24  10 f 30.47127 6.823512  210.1713       92.08315 276.3878       
166.1130 180.7968       110.6383 33.28588 10.58499 27.65667 8.613900 5.629215 
13.64702 
1 1 1 -13 24  11 o 40.61900 6.544939  402.0646       104.6149 401.9111       
180.5988 402.1421       128.3401 39.76800 10.61507 41.46999 7.659321 -1.701984 
13.08988 
1 1 1 -13 24  12 o 20.06286 6.169768  9.429401       96.25748 -13.64799      
151.9026 24.91387       124.4286 20.24837 8.973641 19.87735 8.469824 0.3710175 
12.33954 
1 1 1 -13 24  13 o 107.2981 4.851132  2506.945       218.5316 0.000000       
0.000000 2506.945       218.5316 ?        ?        107.2981 4.851132 ? ? 
1 1 1 -13 24  14 o 56.84768 4.400304  719.0529       104.3384 743.0302       
157.6721 700.3732       139.1678 57.51641 6.529566 56.17896 5.900465 1.337448 
8.800609 
1 1 1 -13 24  15 o 47.72949 4.429014  504.9515       88.28037 448.0493       
118.2878 576.4943       132.6350 44.70736 6.302049 50.75162 6.224857 -6.044258 
8.858028 
1 1 1 -13 24  16 o 32.28329 6.531982  260.4453       93.38551 288.8246       
132.9203 232.7831       131.2300 34.00998 9.119685 30.55661 9.354064 3.453369 
13.06396 
1 1 1 -13 24  17 o 106.0332 3.423656  2447.419       151.8212 2185.773       
205.9317 2758.959       224.7104 99.79883 4.914947 112.2676 4.767492 -12.46873 
6.847311 
1 1 1 -13 24  18 o 118.1757 3.843202  3096.127       190.3886 3246.955       
278.8087 2964.344       260.6118 120.7893 5.497928 115.5620 5.371553 5.227234 
7.686404 
1 1 1 -13 24  19 o 23.05018 6.325754  104.7353       87.14243 130.7580       
131.6170 84.42419       116.2793 24.46571 9.287197 21.63466 8.591193 2.831049 
12.65151 
1 1 1 -13 24  20 o 36.52747 5.446234  331.5448       82.07249 248.9044       
121.5627 400.7670       111.2569 31.20140 8.863201 41.85355 6.331630 -10.65216 
10.89247 
1 1 1 -13 24  21 o 26.65057 6.190627  175.2827       79.85557 212.9631       
121.1634 146.3456       106.1798 28.72878 9.027662 24.57237 8.473298 4.156406 
12.38125 
1 1 1 -13 24  22 o 66.40138 3.647417  981.1607       100.9974 1055.231       
153.8085 925.0135       133.9131 68.42235 5.354307 64.38041 4.954393 4.041939 
7.294835 
1 1 1 -13 24  23 o 85.77341 3.459322  1645.150       122.6014 1659.214       
190.9214 1635.281       159.9343 85.60509 5.312220 85.94174 4.432601 
-0.3366547     6.918644 
1 1 1 -13 24  24 o 23.12319 6.292406  125.2816       83.84290 139.1472       
138.3076 117.2258       105.4220 23.98228 9.418089 22.26410 8.347281 1.718180 
12.58481 
1 1 1 -13 24  25 o 68.02237 3.391182  1058.023       92.43134 1022.618       
153.3399 1078.230       115.8430 66.29745 5.509084 69.74729 3.956065 -3.449837 
6.782363 
1 1 1 -13 24  26 o 44.60285 5.254200  502.2313       91.70502 554.8777       
155.4555 474.1323       113.5711 44.92369 8.550325 44.28201 6.108881 0.6416779 
10.50840 
1 1 1 -13 24  27 o 64.80290 6.728266  1255.767       124.0056 1040.255       
283.3009 1306.845       137.9199 53.69699 12.74164 75.90881 4.327687 -22.21182 
13.45653 
1 1 1 -13 25  1  o 19.24010 5.811454  18.19061       86.62070 -60.92272      
133.3092 76.00008       113.9554 17.30962 7.957458 21.17059 8.471767 -3.860968 
11.62291 
1 1 1 -13 25  2  o 58.01442 4.287134  761.7152       101.8113 735.2284       
160.7982 779.4390       131.5359 56.69625 6.755351 59.33259 5.280466 -2.636341 
8.574268 
1 1 1 -13 25  3  o 14.94828 5.107581  -158.8380      90.12179 -147.0363      
152.9184 -165.1184      111.5533 16.68548 7.954304 13.21108 6.409256 3.474397 
10.21516 
1 1 1 -13 25  4  o 62.72446 4.419577  872.2828       107.0197 919.3019       
195.0616 852.0346       128.0056 63.09870 7.363299 62.35021 4.890038 0.7484932 
8.839154 
1 1 1 -13 25  5  o 28.29593 6.454185  190.4568       95.52811 76.05541       
141.3014 286.7611       129.6444 22.64194 9.289502 33.94991 8.962766 -11.30797 
12.90837 
1 1 1 -13 25  6  o 21.51844 6.204884  65.85555       86.75153 81.08161       
139.3480 56.21978       110.8536 22.78699 9.266262 20.24989 8.254618 2.537102 
12.40977 
1 1 1 -13 25  7  o 57.05700 4.254356  747.3548       97.49651 635.9078       
154.5641 821.0012       125.6465 52.84116 6.967187 61.27285 4.884312 -8.431686 
8.508713 
1 1 1 -13 25  8  o 31.21094 6.708148  248.2293       95.75078 199.2836       
163.2451 273.9001       118.2231 28.92043 10.45257 33.50145 8.410756 -4.581013 
13.41630 
1 1 1 -13 25  9  o 27.53222 6.938502  168.8951       98.19890 221.4675       
163.9900 139.5058       122.6121 29.99331 10.51215 25.07114 9.059031 4.922161 
13.87700 
1 1 1 -13 25  10 o 64.60476 4.645452  960.0081       116.1299 889.3782       
203.2918 994.2208       141.4876 61.85169 7.828697 67.35783 5.003239 -5.506145 
9.290904 
1 1 1 -13 25  11 o 66.82016 5.062029  1039.093       124.7872 979.3412       
236.2705 1062.209       146.9557 64.05251 8.786065 69.58780 5.030073 -5.535286 
10.12406 
1 1 1 -13 25  12 o 24.23056 6.793173  54.83315       103.7444 236.9842       
179.4177 -36.65884      127.1572 30.74069 10.97316 17.72044 8.011149 13.02024 
13.58635 
1 1 1 -13 25  13 o 45.46186 5.416367  479.8124       100.6667 554.4121       
152.0553 421.6022       134.3174 48.96746 7.396309 41.95626 7.914715 7.011196 
10.83273 
1 1 1 -13 25  14 o 86.12256 4.011777  1660.917       144.2007 1514.293       
208.1486 1796.229       199.9591 82.11850 6.037450 90.12661 5.284565 -8.008110 
8.023555 
1 1 1 -13 25  15 o 35.50365 11.54667  346.4336       196.9156 0.000000       
0.000000 346.4336       196.9156 ?        ?        35.50365 11.54667 ? ? 
1 1 1 -13 25  16 o 46.37146 5.528867  525.9189       101.3670 441.6665       
155.8581 587.6830       133.4462 41.83723 9.126134 50.90570 6.243971 -9.068474 
11.05773 
1 1 1 -13 25  17 o 23.24097 6.453268  107.7987       91.80487 111.2587       
131.9621 104.5534       127.8013 23.47046 9.203862 23.01149 9.048071 0.4589672 
12.90654 
1 1 1 -13 25  18 o 21.90571 6.174120  73.62354       91.03481 -13.21805      
132.0100 152.3698       125.7065 18.49471 8.269640 25.31671 9.170174 -6.821997 
12.34824 
1 1 1 -13 25  19 o 44.07400 5.531594  498.5379       95.40594 281.2678       
138.0583 697.1413       131.9946 32.60433 9.505507 55.54367 5.660341 -22.93934 
11.06319 
1 1 1 -13 25  20 o 41.82423 5.795763  436.5327       97.89808 459.3699       
144.7132 417.2621       132.9333 42.71162 8.368567 40.93685 8.020633 1.774769 
11.59153 
1 1 1 -13 25  21 o 24.82625 6.543921  150.4398       91.18349 151.5625       
134.7890 149.4925       123.8146 24.95641 9.420403 24.69610 9.085572 0.2603092 
13.08784 
1 1 1 -13 25  22 o 27.61287 6.608452  201.5545       90.96308 246.5927       
137.9872 166.9407       120.9687 29.81757 9.664117 25.40817 9.016174 4.409393 
13.21690 
1 1 1 -13 25  23 o 43.17576 4.582266  442.1267       81.47276 458.0208       
128.6508 431.4842       105.2732 43.32441 7.072954 43.02711 5.827691 0.2972946 
9.164533 
1 1 1 -13 25  24 o 27.16410 6.388344  214.4274       86.89728 173.1521       
140.6520 239.9081       110.5111 24.89685 9.556821 29.43134 8.480030 -4.534491 
12.77669 
1 1 1 -13 25  25 o 23.59310 6.364018  148.9161       85.44131 192.5049       
139.5927 122.8033       108.0443 25.38494 9.585434 21.80126 8.373909 3.583687 
12.72804 
1 1 1 -13 26  1  o 43.46822 5.795511  457.4423       103.0678 546.9243       
158.0812 391.2778       135.9329 47.57053 7.915226 39.36591 8.467645 8.204620 
11.59102 
1 1 1 -13 26  2  o 30.57617 6.797760  224.0636       96.83677 350.4629       
160.4906 151.7008       121.4324 36.00187 10.17019 25.15047 9.022497 10.85140 
13.59552 
1 1 1 -13 26  3  o 20.08068 5.977757  26.58340       83.46810 116.0592       
141.0333 -21.65217      103.5506 23.89598 9.470258 16.26537 7.297159 7.630608 
11.95551 
1 1 1 -13 26  4  o 80.22990 3.853294  1437.496       121.2563 1440.595       
212.2675 1435.995       147.7328 79.40156 6.367596 81.05826 4.341109 -1.656700 
7.706588 
1 1 1 -13 26  5  o 59.50368 4.441986  787.8019       106.2745 870.7947       
181.1653 744.2584       131.2250 61.24206 7.046059 57.76530 5.410914 3.476757 
8.883971 
1 1 1 -13 26  6  o 51.61338 5.611325  617.5967       106.0778 685.7540       
201.6680 591.5259       124.7265 51.91634 9.613763 51.31041 5.789942 0.6059265 
11.22265 
1 1 1 -13 26  7  o 54.09665 5.672772  767.7744       108.1576 520.9838       
186.9921 891.8490       132.5869 44.61716 10.20032 63.57613 4.967384 -18.95897 
11.34554 
1 1 1 -13 26  8  o 66.09774 4.554165  934.1998       118.0924 1176.194       
216.9826 832.3517       140.7664 71.08968 7.270085 61.10579 5.487034 9.983891 
9.108330 
1 1 1 -13 26  9  o 20.75675 6.171130  -30.25928      94.02865 177.6302       
161.5021 -136.8641      115.6513 27.41355 10.32101 14.09996 6.768167 13.31358 
12.34226 
1 1 1 -13 26  10 o 51.52282 5.873823  666.5947       114.3436 553.4213       
190.4066 730.4285       142.9997 46.12203 10.10957 56.92360 5.983619 -10.80157 
11.74765 
1 1 1 -13 26  11 o 49.92853 6.083744  619.7196       115.9049 571.6842       
197.1575 645.0881       143.2784 46.65521 10.33923 53.20185 6.414682 -6.546638 
12.16749 
1 1 1 -13 26  12 o 58.00537 5.235252  768.8431       117.8520 840.8124       
213.8597 737.4561       141.2317 58.79390 8.663988 57.21684 5.879353 1.577061 
10.47050 
1 1 1 -13 26  13 o 32.36091 6.960984  272.7137       101.6892 287.9963       
159.6196 262.2740       131.9261 32.81765 10.36995 31.90417 9.288989 0.9134865 
13.92197 
1 1 1 -13 26  14 o 26.81766 6.553832  155.7435       94.46754 280.8291       
145.5665 64.73372       124.1657 32.62896 9.824618 21.00637 8.676850 11.62259 
13.10766 
1 1 1 -13 26  15 o 29.57571 6.812577  229.0811       97.49332 204.2196       
150.8244 246.9250       127.7769 28.26047 10.06356 30.89096 9.185295 -2.630493 
13.62515 
1 1 1 -13 26  16 f 25.53492 6.511297  155.7774       90.63560 196.2254       
129.1472 116.5210       127.2305 27.69771 9.351029 23.37213 9.063455 4.325577 
13.02259 
1 1 1 -13 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 26  18 o 63.61585 4.528380  945.5981       119.0809 891.9982       
180.9754 986.5235       158.1372 61.40095 7.020461 65.83076 5.721715 -4.429806 
9.056760 
1 1 1 -13 26  19 o 21.80026 5.969481  98.79698       80.33724 48.83635       
121.6283 137.4629       107.0003 19.82915 8.408916 23.77138 8.475196 -3.942225 
11.93896 
1 1 1 -13 26  20 o 16.25457 5.341859  -65.18150      87.35864 -18.29679      
129.7353 -104.0742      118.1617 17.79226 8.065225 14.71688 7.006710 3.075384 
10.68372 
1 1 1 -13 26  21 o 35.97745 5.541074  336.3030       83.41741 248.1646       
120.7551 416.7544       115.3691 30.15777 8.921305 41.79714 6.574522 -11.63937 
11.08215 
1 1 1 -13 26  22 o 23.32581 5.970401  126.5182       87.74278 -15.59206      
134.3007 232.3503       115.8975 17.75417 8.093325 28.89745 8.779571 -11.14328 
11.94080 
1 1 1 -13 26  23 o 31.33407 6.331985  289.7859       89.01757 243.1884       
140.0389 321.3811       115.3128 28.24246 9.731728 34.42568 8.103681 -6.183222 
12.66397 
1 1 1 -13 26  24 o 32.11149 5.946778  283.3727       79.93549 338.7593       
127.0472 247.0798       102.8427 34.35171 8.776190 29.87127 8.027152 4.480433 
11.89356 
1 1 1 -13 27  1  o 20.95680 6.308068  43.82184       96.44243 135.9307       
155.1220 -14.21469      123.1327 24.38654 9.831947 17.52705 7.905676 6.859486 
12.61614 
1 1 1 -13 27  2  o 40.53370 5.996426  398.4350       96.91562 554.4222       
160.0244 308.0796       121.7921 46.60186 8.493694 34.46554 8.466738 12.13632 
11.99285 
1 1 1 -13 27  3  o 30.17129 6.962462  243.8261       99.08379 270.1464       
162.3643 228.2076       125.0735 31.01666 10.48485 29.32593 9.163593 1.690729 
13.92492 
1 1 1 -13 27  4  o 45.11648 5.311116  483.4946       93.66628 528.6448       
159.3992 459.6819       115.7608 45.58093 8.642939 44.65202 6.175063 0.9289055 
10.62223 
1 1 1 -13 27  5  o 26.43437 6.944178  166.1304       100.0784 221.2699       
164.6789 133.8410       126.0192 28.79088 10.48922 24.07786 9.102896 4.713018 
13.88836 
1 1 1 -13 27  6  o 49.33170 5.906108  597.0885       116.8055 633.7925       
186.5841 573.4339       149.7878 49.49916 9.320226 49.16425 7.256848 0.3349075 
11.81222 
1 1 1 -13 27  7  o 39.22913 6.490391  402.5707       100.4326 390.7189       
176.5567 408.2404       122.1143 37.39145 10.70069 41.06683 7.348197 -3.675381 
12.98078 
1 1 1 -13 27  8  o 77.92146 4.594536  1397.274       133.9499 1415.638       
253.0369 1390.125       157.8868 76.59241 7.868994 79.25051 4.745312 -2.658096 
9.189073 
1 1 1 -13 27  9  o 51.16273 5.778972  656.2911       115.4589 568.8028       
182.2255 714.9711       149.2379 46.63144 9.635852 55.69402 6.382511 -9.062576 
11.55794 
1 1 1 -13 27  10 o 36.83241 7.306551  358.6494       111.0876 411.7106       
202.6214 335.8460       132.8301 37.53036 11.65064 36.13447 8.820725 1.395893 
14.61310 
1 1 1 -13 27  11 o 40.06807 7.020989  421.5954       114.5064 469.7115       
188.9504 393.6684       143.9509 41.04240 10.81346 39.09373 8.958027 1.948677 
14.04198 
1 1 1 -13 27  12 f 30.07378 7.350478  242.3087       109.7801 248.7637       
187.9998 238.9688       135.2306 30.12212 11.17593 30.02545 9.550739 
0.9667206E-01  14.70096 
1 1 1 -13 27  13 o 26.43212 6.962046  175.1375       103.4287 137.4513       
173.4537 195.9305       128.8399 25.34069 10.32699 27.52354 9.339896 -2.182852 
13.92409 
1 1 1 -13 27  14 o 40.15711 6.165774  423.4039       101.9030 338.8732       
157.3927 484.4109       133.7111 35.06017 10.12609 45.25405 7.037704 -10.19388 
12.33155 
1 1 1 -13 27  15 o 79.28914 5.031678  1444.905       160.9546 1318.360       
198.6157 1686.995       274.7128 75.44582 6.270460 83.13247 7.870989 -7.686653 
10.06336 
1 1 1 -13 27  16 o 42.61433 5.804197  410.9397       98.35615 665.4817       
171.1272 285.3738       120.1919 52.13580 7.818151 33.09286 8.580869 19.04294 
11.60839 
1 1 1 -13 27  17 o 18.30635 5.808336  -3.702355      91.07602 -8.773211      
145.7183 -0.4515597     116.6724 19.00179 8.583949 17.61091 7.827062 1.390881 
11.61667 
1 1 1 -13 27  18 o 19.82177 6.016702  47.52031       89.37457 46.81516       
135.8319 48.05865       118.6856 20.19616 8.732861 19.44738 8.278887 0.7487755 
12.03340 
1 1 1 -13 27  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -13 27  20 f 17.65469 5.688970  -14.56670      91.87096 7.429962       
142.2881 -30.29291      120.3101 18.79556 8.487000 16.51382 7.578148 2.281731 
11.37794 
1 1 1 -13 27  21 o 22.18325 6.274771  113.2538       88.28037 173.1835       
137.2467 70.96029       115.2970 24.71111 9.453479 19.65540 8.253651 5.055719 
12.54954 
1 1 1 -13 27  22 o 23.53610 6.320626  140.9429       85.68089 224.6361       
138.1490 88.62569       109.2257 27.00319 9.629841 20.06902 8.189470 6.934177 
12.64125 
1 1 1 -13 28  1  o 21.56030 6.557961  88.47786       105.5534 97.88664       
167.4597 82.27547       135.9638 22.25515 9.660749 20.86544 8.871152 1.389704 
13.11592 
1 1 1 -13 28  2  o 35.95475 6.591663  360.4594       103.8698 508.2890       
156.0877 242.9646       139.1545 43.13937 8.920916 28.77013 9.706563 14.36924 
13.18333 
1 1 1 -13 28  3  o 21.51889 6.213825  96.05911       88.81586 73.52789       
139.0034 111.6037       115.4577 21.04841 8.959971 21.98936 8.611935 
-0.9409504     12.42765 
1 1 1 -13 28  4  o 26.73513 6.763015  175.0049       116.9225 -50.12203      
181.8166 333.7596       152.6803 19.47142 9.082266 33.99885 10.02327 -14.52743 
13.52603 
1 1 1 -13 28  5  o 43.76676 6.626406  520.8500       117.7672 499.7266       
175.3078 538.2224       158.9823 42.16112 10.03509 45.37240 8.656443 -3.211281 
13.25281 
1 1 1 -13 28  6  o 72.24937 4.781875  1252.960       134.1643 1206.915       
234.2139 1275.448       163.6798 69.48991 8.028085 75.00883 5.197611 -5.518929 
9.563749 
1 1 1 -13 28  7  o 38.42901 7.135634  382.5292       108.5761 517.1658       
202.1962 327.9761       128.7068 41.64025 11.28502 35.21776 8.735988 6.422497 
14.27127 
1 1 1 -13 28  8  o 23.51442 6.748403  105.6465       102.4486 183.9620       
165.2121 56.71727       130.5876 26.58172 10.32395 20.44712 8.693667 6.134598 
13.49681 
1 1 1 -13 28  9  o 41.31847 6.524148  477.0674       109.8241 365.1487       
182.4612 540.6494       137.5262 34.98900 11.09029 47.64793 6.874839 -12.65893 
13.04830 
1 1 1 -13 28  10 o 27.91416 7.168659  214.4622       111.3612 154.0997       
174.8925 255.6242       144.4228 25.53142 10.38144 30.29689 9.888599 -4.765471 
14.33732 
1 1 1 -13 28  11 f 28.70610 7.193954  229.3975       108.0371 216.1065       
173.4505 237.8227       138.0973 28.01999 10.65412 29.39220 9.669621 -1.372208 
14.38791 
1 1 1 -13 28  12 o 32.85642 6.738760  214.9643       106.8913 581.1001       
193.6900 54.62080       128.1775 45.48002 10.37033 20.23282 8.608122 25.24721 
13.47752 
1 1 1 -13 28  13 o 27.04850 6.822640  201.7870       99.23148 133.1705       
180.9059 231.3174       118.6789 24.74566 10.36246 29.35134 8.877680 -4.605686 
13.64528 
1 1 1 -13 28  14 o 19.52612 6.180773  10.21645       104.4605 -146.6530      
201.7731 67.65733       122.0969 18.65591 8.951378 20.39632 8.525294 -1.740408 
12.36155 
1 1 1 -13 28  15 o 26.98793 6.634646  171.6920       94.01011 317.9843       
154.5085 85.69817       118.4610 33.01609 10.15861 20.95978 8.536784 12.05632 
13.26929 
1 1 1 -13 28  16 o 49.88003 5.705759  544.2299       107.7017 1115.860       
192.2077 282.6027       130.0333 67.98846 6.733743 31.77160 9.213004 36.21687 
11.41152 
1 1 1 -13 28  17 o 31.33160 6.163548  242.1129       95.54704 479.2242       
150.5158 82.07430       123.6569 41.96894 8.821720 20.69427 8.610143 21.27467 
12.32710 
1 1 1 -13 28  18 o 38.92849 5.913771  392.1883       96.55308 587.6742       
151.1217 257.3471       125.5106 48.05046 7.491185 29.80652 9.152753 18.24394 
11.82754 
1 1 1 -13 28  19 o 20.02531 6.036910  70.50526       91.00671 27.17538       
137.7026 104.1078       121.2647 18.85571 8.438166 21.19490 8.635652 -2.339182 
12.07382 
1 1 1 -13 28  20 o 21.33597 6.160628  99.78655       93.39447 6.674850       
141.6099 171.4643       124.2464 18.29367 8.331571 24.37827 9.077351 -6.084599 
12.32126 
1 1 1 -13 29  2  o 30.40648 7.580280  317.6970       122.6755 260.4155       
175.4242 372.5193       171.6172 27.66890 10.66047 33.14407 10.77947 -5.475170 
15.16056 
1 1 1 -13 29  3  f 42.93630 7.311758  563.6130       129.0053 650.6349       
201.1543 502.8149       168.1357 45.23952 10.73773 40.63308 9.927156 4.606445 
14.62352 
1 1 1 -13 29  4  o 23.77143 6.772434  153.4369       108.6231 73.59814       
165.6732 213.6348       143.8588 21.14459 9.371103 26.39827 9.779871 -5.253685 
13.54487 
1 1 1 -13 29  5  o 23.56827 6.422227  68.57556       108.0533 328.4661       
162.9026 -135.5969      144.3881 31.83599 10.50221 15.30055 7.394831 16.53544 
12.84445 
1 1 1 -13 29  6  o 28.71001 7.358065  236.2939       109.6475 370.9781       
190.8549 169.9393       133.9616 32.82800 11.35626 24.59201 9.359480 8.235989 
14.71613 
1 1 1 -13 29  7  o 31.96245 7.668431  330.6735       121.1843 347.1050       
196.3507 320.5634       154.0179 31.73460 11.46416 32.19030 10.18786 
-0.4557037     15.33686 
1 1 1 -13 29  8  o 19.69250 6.191353  26.07911       106.8299 -63.01295      
164.5041 91.05303       140.4840 17.96870 8.443702 21.41629 9.057335 -3.447592 
12.38271 
1 1 1 -13 29  9  o 27.31763 7.050200  200.9302       105.6484 329.2983       
170.5958 121.0706       134.5561 32.09838 10.74734 22.53688 9.127756 9.561499 
14.10040 
1 1 1 -13 29  10 o 29.80416 6.986905  220.1145       107.5137 460.4832       
180.8988 88.83894       133.6868 38.41962 10.77955 21.18870 8.892062 17.23092 
13.97381 
1 1 1 -13 29  11 o 24.66307 7.159346  152.9625       111.6503 207.5341       
201.0137 128.6153       134.2662 26.45871 10.99120 22.86743 9.177057 3.591284 
14.31869 
1 1 1 -13 29  12 o 41.61122 6.992399  449.3756       117.9181 772.1746       
209.0468 298.7370       142.8057 51.63360 10.00038 31.58884 9.775840 20.04476 
13.98480 
1 1 1 -13 29  13 o 22.91627 6.712941  104.9989       99.10583 217.0922       
177.1766 53.95586       119.5597 26.63947 10.59661 19.19308 8.244160 7.446390 
13.42588 
1 1 1 -13 29  14 o 31.62771 7.262089  203.6470       106.8243 632.2482       
220.7568 72.60006       122.0677 43.29104 11.81808 19.96437 8.443032 23.32667 
14.52418 
1 1 1 -13 29  15 o 20.05540 6.042505  14.30667       93.92886 196.4235       
151.1752 -100.2051      119.8755 25.60522 9.889861 14.50559 6.945367 11.09963 
12.08501 
1 1 1 -13 29  16 o 27.61413 6.859075  208.5200       97.45061 356.2804       
164.4204 128.5069       120.9921 32.97967 10.53532 22.24859 8.786049 10.73108 
13.71815 
1 1 1 -13 29  17 o 27.05743 6.647125  217.0299       93.25336 284.9475       
140.0795 162.9735       124.9703 30.20852 9.731764 23.90634 9.057034 6.302185 
13.29425 
1 1 1 -13 29  18 o 17.01709 5.523745  -14.18247      90.53511 -48.17857      
135.0941 13.53363       121.9798 16.48581 7.728153 17.54838 7.894472 -1.062569 
11.04749 
1 1 1 -13 30  9  o 25.01289 7.068509  179.8976       111.5459 265.8624       
175.0999 121.1840       144.7090 27.90590 10.67721 22.11989 9.265656 5.786001 
14.13702 
1 1 1 -13 30  10 o 22.55998 6.727732  125.7599       106.4595 157.2300       
172.7645 106.4949       135.1728 23.74450 10.04318 21.37546 8.954551 2.369032 
13.45546 
1 1 1 -13 30  11 o 62.64296 5.205338  1005.948       128.7796 1033.991       
220.3805 991.4072       158.6932 61.17997 8.579955 64.10596 5.896318 -2.925991 
10.41068 
1 1 1 -13 30  12 o 38.00713 7.425765  419.1836       110.2134 594.1837       
222.1280 362.0309       126.9411 40.23583 12.14059 35.77842 8.554181 4.457417 
14.85153 
1 1 1 -12 -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 1  o 144.5560 2.645603  4343.524       126.6421 4304.456       
140.6702 4510.617       290.9181 143.0677 2.341971 146.0443 4.744684 -2.976593 
5.291205 
1 1 1 -12 -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 1  o 97.23952 1.964575  1982.948       74.42074 1972.497       
89.72022 2005.996       133.2409 96.86919 2.206103 97.60986 3.251359 
-0.7406616     3.929151 
1 1 1 -12 -22 2  o 56.76754 2.046703  670.1844       47.91002 719.3956       
76.32639 638.1884       61.54493 58.45589 3.110051 55.07919 2.661496 3.376701 
4.093406 
1 1 1 -12 -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 1  o 24.11869 3.894592  158.1072       39.75012 204.5244       
46.13898 24.44925       78.29353 31.16175 3.526690 17.07563 6.945060 14.08611 
7.789185 
1 1 1 -12 -21 2  o 179.7839 1.882047  6780.892       141.1221 6653.454       
188.2487 6944.396       213.2314 177.8782 2.520754 181.6895 2.795389 -3.811371 
3.764093 
1 1 1 -12 -21 3  f 101.9084 2.803353  2184.943       119.9407 2184.943       
119.9407 0.000000       0.000000 101.9084 2.803353 ?        ?        ? ? 
1 1 1 -12 -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 1  o 197.5967 3.455279  8223.939       281.2540 8117.214       
363.1096 8384.000       444.6789 196.1190 4.410007 199.0745 5.320495 -2.955505 
6.910559 
1 1 1 -12 -20 2  o 100.7247 2.117495  2100.832       82.49109 2222.136       
151.2243 2049.448       98.42416 102.7163 3.506738 98.73311 2.374433 3.983170 
4.234991 
1 1 1 -12 -20 3  o 70.71416 2.106574  1042.457       59.52591 1083.740       
102.0289 1021.154       73.29250 71.74094 3.387483 69.68736 2.505109 2.053581 
4.213148 
1 1 1 -12 -20 4  o 58.33392 2.111954  705.4611       50.44579 762.8899       
82.19987 670.7643       63.89248 60.19680 3.252511 56.47103 2.694916 3.725773 
4.223908 
1 1 1 -12 -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -20 21 o 13.67800 6.087881  -4.822961      70.81283 0.000000       
0.000000 -4.822961      70.81283 ?        ?        13.67800 6.087881 ? ? 
1 1 1 -12 -19 1  o 124.8611 2.811253  3291.563       146.2840 3332.135       
196.0441 3240.594       219.7298 125.7635 3.712960 123.9586 4.222145 1.804832 
5.622506 
1 1 1 -12 -19 2  o 140.0711 3.072526  4140.629       179.5336 4132.218       
269.3636 4147.353       240.8243 139.9022 4.586016 140.2400 4.090247 
-0.3378296     6.145052 
1 1 1 -12 -19 3  o 107.1109 2.275693  2401.396       96.07589 2455.144       
168.6643 2375.579       116.8945 107.9418 3.721814 106.2800 2.619772 1.661819 
4.551385 
1 1 1 -12 -19 4  o 79.09772 2.311549  1317.776       72.13050 1315.202       
125.6597 1319.042       88.08810 79.00108 3.788645 79.19437 2.649379 
-0.1932831     4.623098 
1 1 1 -12 -19 5  o 39.47895 2.540012  329.4016       41.50141 321.6889       
63.93155 335.0188       54.55993 39.06600 3.897960 39.89191 3.257692 
-0.8259125     5.080025 
1 1 1 -12 -19 6  o 197.0796 2.976069  8205.879       204.4263 8173.447       
433.6945 8215.144       231.7914 196.5525 5.255649 197.6066 2.793940 -1.054077 
5.952137 
1 1 1 -12 -19 7  f 110.9243 2.672669  2498.854       119.2811 2283.786       
146.3013 2925.266       206.0039 104.1215 3.346793 117.7271 4.167927 -13.60556 
5.345338 
1 1 1 -12 -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -19 14 f 55.31025 4.870715  657.9606       113.1038 0.000000       
0.000000 657.9606       113.1038 ?        ?        55.31025 4.870715 ? ? 
1 1 1 -12 -19 15 o 99.50137 3.305444  2116.557       136.1677 2030.061       
176.8883 2242.365       213.3315 97.21213 4.334108 101.7906 4.991929 -4.578484 
6.610889 
1 1 1 -12 -19 16 o 38.69085 3.529207  312.9543       56.12617 416.6484       
89.62247 246.0455       71.99157 43.78753 4.875146 33.59418 5.104329 10.19334 
7.058415 
1 1 1 -12 -19 17 o 24.90316 5.083093  147.2253       56.49392 124.4013       
85.14922 165.1725       75.50611 23.28699 7.592892 26.51933 6.760128 -3.232340 
10.16619 
1 1 1 -12 -19 18 o 45.75159 3.698738  460.7166       69.55556 596.4929       
102.9161 346.5507       94.37122 52.15187 4.700397 39.35132 5.712173 12.80055 
7.397476 
1 1 1 -12 -19 19 o 20.47353 7.620327  87.71021       87.54385 0.000000       
0.000000 87.71021       87.54385 ?        ?        20.47353 7.620327 ? ? 
1 1 1 -12 -19 20 o 17.95322 7.306927  48.84880       86.72397 0.000000       
0.000000 48.84880       86.72397 ?        ?        17.95322 7.306927 ? ? 
1 1 1 -12 -19 21 o 19.24668 7.543783  76.01075       88.62921 0.000000       
0.000000 76.01075       88.62921 ?        ?        19.24668 7.543783 ? ? 
1 1 1 -12 -19 22 o 51.78379 4.665444  614.0131       101.4298 0.000000       
0.000000 614.0131       101.4298 ?        ?        51.78379 4.665444 ? ? 
1 1 1 -12 -18 1  o 81.03944 2.732556  1385.890       92.78312 1439.362       
128.8823 1328.363       133.6794 82.67570 3.713099 79.40319 4.010031 3.272507 
5.465112 
1 1 1 -12 -18 2  o 96.42572 2.591418  1958.334       104.9060 1952.880       
148.7098 1963.737       148.0117 96.29087 3.678540 96.56057 3.651046 
-0.2696991     5.182837 
1 1 1 -12 -18 3  o 152.6629 2.556635  4933.458       162.1815 4726.586       
244.7305 5095.448       216.5624 149.7532 3.892539 155.5725 3.315670 -5.819305 
5.113269 
1 1 1 -12 -18 4  o 77.31947 2.108483  1228.662       64.50614 1344.917       
114.1239 1174.084       78.19552 79.91594 3.401451 74.72301 2.492577 5.192924 
4.216967 
1 1 1 -12 -18 5  o 117.6042 2.345495  2934.911       107.6993 2848.984       
189.9982 2975.592       130.7307 116.2599 3.892609 118.9485 2.617819 -2.688622 
4.690989 
1 1 1 -12 -18 6  o 77.73021 2.272263  1288.422       69.31923 1224.409       
120.4180 1320.148       84.77419 76.22733 3.762718 79.23309 2.548462 -3.005768 
4.544525 
1 1 1 -12 -18 7  o 153.0366 2.908049  4957.438       162.0544 4903.224       
322.1951 4975.797       187.4969 152.2943 5.039139 153.7788 2.904147 -1.484543 
5.816098 
1 1 1 -12 -18 8  o 77.36263 2.022780  1262.260       64.08245 1246.770       
102.3037 1272.262       82.20901 76.94947 3.166698 77.77579 2.517654 
-0.8263245     4.045560 
1 1 1 -12 -18 9  o 79.65907 2.057254  1326.613       66.48108 1372.590       
109.9810 1300.140       83.45373 80.70934 3.245751 78.60881 2.528690 2.100525 
4.114507 
1 1 1 -12 -18 10 o 70.61763 2.236404  1051.929       64.07314 1049.129       
105.0320 1053.589       80.86213 70.50336 3.548404 70.73191 2.723020 
-0.2285538     4.472808 
1 1 1 -12 -18 11 o 25.23096 3.568954  143.2035       37.38688 221.0078       
53.25910 67.61492       52.49523 32.31908 3.925146 18.14284 5.961792 14.17624 
7.137908 
1 1 1 -12 -18 12 f 57.26857 2.161166  694.6199       51.68622 612.0416       
73.03343 777.4789       73.15743 53.82845 3.231699 60.70870 2.870309 -6.880253 
4.322332 
1 1 1 -12 -18 13 o 52.32398 2.385241  574.1327       51.70551 610.3961       
80.90522 549.0956       67.22560 53.68049 3.589890 50.96746 3.141686 2.713028 
4.770482 
1 1 1 -12 -18 14 o 55.22952 2.871227  648.3077       64.60863 653.4153       
104.9966 645.1953       81.96344 55.31265 4.521389 55.14639 3.540170 0.1662598 
5.742453 
1 1 1 -12 -18 15 o 25.16519 4.891071  147.8009       53.84475 110.8994       
85.61205 171.9505       69.25774 22.75638 7.613500 27.57399 6.142064 -4.817608 
9.782143 
1 1 1 -12 -18 16 o 93.34647 3.252552  1806.073       112.4264 2033.043       
223.9790 1729.626       129.9883 96.58459 5.523577 90.10835 3.436056 6.476234 
6.505105 
1 1 1 -12 -18 17 o 37.08415 4.109107  299.2599       61.43718 390.8085       
94.72749 232.7919       80.71551 42.25541 5.339674 31.91289 6.247154 10.34252 
8.218215 
1 1 1 -12 -18 18 o 72.25763 2.986436  1111.834       88.88351 1225.395       
142.6260 1039.727       113.6519 75.06097 4.525906 69.45428 3.897613 5.606697 
5.972873 
1 1 1 -12 -18 19 o 42.69604 4.285024  409.2366       72.68718 418.6440       
124.7233 404.3982       89.44745 42.57725 6.977356 42.81482 4.976166 
-0.2375717     8.570048 
1 1 1 -12 -18 20 o 19.59210 5.470351  68.22356       66.84131 43.53939       
103.2695 86.02021       87.68638 18.83563 7.854612 20.34856 7.616037 -1.512930 
10.94070 
1 1 1 -12 -18 21 o 40.23564 4.718389  384.4355       76.67970 390.6411       
118.6979 379.9910       100.4540 39.83907 7.374023 40.63221 5.888682 
-0.7931366     9.436778 
1 1 1 -12 -18 22 o 43.44272 4.853579  459.4559       85.62092 555.2217       
126.9694 379.5889       115.9518 48.24274 6.268852 38.64269 7.411506 9.600056 
9.707158 
1 1 1 -12 -18 23 o 27.14010 8.635960  213.1973       110.5591 0.000000       
0.000000 213.1973       110.5591 ?        ?        27.14010 8.635960 ? ? 
1 1 1 -12 -17 1  o 100.3202 2.615266  2117.750       110.0838 2105.735       
152.8611 2130.695       158.6650 100.0288 3.639929 100.6116 3.756247 
-0.5828018     5.230533 
1 1 1 -12 -17 2  o 22.24995 4.967218  102.3583       51.19836 94.98658       
66.72424 112.9127       79.83864 21.28959 6.701187 23.21031 7.333970 -1.920717 
9.934436 
1 1 1 -12 -17 3  o 151.3830 2.859511  4820.553       175.4315 4862.250       
289.1612 4796.267       220.6858 151.8249 4.536470 150.9410 3.482477 0.8839569 
5.719021 
1 1 1 -12 -17 4  o 153.2631 2.652461  4973.630       158.6998 4880.425       
280.8163 5017.367       192.3641 152.0994 4.397603 154.4268 2.967033 -2.327393 
5.304922 
1 1 1 -12 -17 5  f 12.90471 3.898192  -1.385943      37.16935 -1.314056      
56.35374 -1.441298      49.45091 13.33181 5.690967 12.47762 5.328836 0.8541889 
7.796383 
1 1 1 -12 -17 6  o 79.30672 2.125758  1298.555       67.18788 1402.097       
116.7841 1247.328       82.14374 81.59715 3.409023 77.01629 2.540463 4.580856 
4.251516 
1 1 1 -12 -17 7  o 110.9856 2.493232  2662.245       109.6028 2378.875       
183.6728 2818.949       136.5864 106.2115 4.119026 115.7598 2.810417 -9.548317 
4.986464 
1 1 1 -12 -17 8  o 187.4958 3.034017  7383.583       227.9543 7529.148       
386.5197 7305.950       282.2692 188.7681 4.877128 186.2236 3.610355 2.544525 
6.068034 
1 1 1 -12 -17 9  o 55.71979 2.879351  653.3455       67.35705 0.000000       
0.000000 653.3455       67.35705 ?        ?        55.71979 2.879351 ? ? 
1 1 1 -12 -17 10 o 94.08783 2.495452  1843.777       86.73534 1914.350       
170.7574 1819.237       100.6924 95.19081 4.272730 92.98485 2.579321 2.205963 
4.990904 
1 1 1 -12 -17 11 o 59.91237 2.439286  762.0221       59.10581 739.4420       
96.91460 775.3947       74.58171 59.15899 3.902020 60.66574 2.928262 -1.506756 
4.878573 
1 1 1 -12 -17 12 o 82.03409 1.915089  1393.050       65.36779 1220.828       
85.90812 1629.881       100.7417 76.12014 2.688164 87.94804 2.728377 -11.82790 
3.830178 
1 1 1 -12 -17 13 o 63.57451 2.215635  866.5814       57.98093 773.4889       
88.29958 937.1463       76.87685 60.48352 3.477304 66.66550 2.746727 -6.181980 
4.431270 
1 1 1 -12 -17 14 o 78.27881 2.532606  1260.829       76.21562 1390.671       
142.4384 1208.741       90.21706 80.89082 4.194198 75.66681 2.839908 5.224007 
5.065212 
1 1 1 -12 -17 15 o 81.71851 3.029238  1435.186       100.2458 1379.356       
163.2647 1468.971       127.0060 80.25545 4.845502 83.18156 3.636789 -2.926117 
6.058475 
1 1 1 -12 -17 16 o 27.20110 5.199930  159.9201       61.03762 230.6499       
97.10123 113.7150       78.48171 31.65124 7.427078 22.75097 7.279807 8.900274 
10.39986 
1 1 1 -12 -17 17 o 82.30321 3.182369  1492.198       104.3587 1342.316       
172.5505 1578.643       131.0418 78.60643 5.228525 85.99998 3.629381 -7.393547 
6.364738 
1 1 1 -12 -17 18 o 15.52982 4.831386  -10.68795      60.61200 -35.56315      
96.37789 5.587887       77.95889 15.48945 6.990011 15.57020 6.671500 
-0.8074760E-01 9.662772 
1 1 1 -12 -17 19 o 55.16996 3.465956  670.9366       78.41380 644.1443       
123.3262 689.1185       101.5941 53.97264 5.442554 56.36729 4.293017 -2.394650 
6.931911 
1 1 1 -12 -17 20 o 19.81549 5.481733  69.60615       66.78069 36.01796       
107.1651 90.92977       85.38676 18.89286 7.946461 20.73812 7.553235 -1.845259 
10.96347 
1 1 1 -12 -17 21 o 68.71113 3.519146  1065.195       94.87290 1006.429       
163.3267 1095.122       116.5528 66.51228 5.848930 70.90998 3.915042 -4.397705 
7.038291 
1 1 1 -12 -17 22 o 21.11545 5.795937  91.26153       71.35144 115.5735       
118.6471 77.48775       89.30464 22.62869 8.757089 19.60221 7.595059 3.026489 
11.59187 
1 1 1 -12 -17 23 o 54.89056 3.513650  689.3069       80.84431 639.7605       
112.7314 741.7690       116.0009 52.74842 5.090455 57.03271 4.844606 -4.284294 
7.027299 
1 1 1 -12 -17 24 o 18.85913 8.705146  -0.6392121     161.5245 -0.6392121     
161.5245 0.000000       0.000000 18.85913 8.705146 ?        ?        ? ? 
1 1 1 -12 -16 1  o 129.3489 2.956463  3519.218       160.4474 3447.555       
222.1452 3597.372       231.9884 127.9774 4.134515 130.7204 4.227113 -2.742989 
5.912927 
1 1 1 -12 -16 2  o 120.1779 2.854102  3041.027       143.9756 3018.783       
205.1943 3062.597       202.0661 119.7410 4.081724 120.6148 3.990379 
-0.8737946     5.708204 
1 1 1 -12 -16 3  o 78.90844 2.150869  1306.013       68.27148 1321.584       
114.6063 1297.447       84.99894 79.25143 3.444470 78.56544 2.576932 0.6859894 
4.301738 
1 1 1 -12 -16 4  o 86.19559 2.186996  1544.206       75.71542 1626.687       
128.7212 1500.571       93.62534 87.90923 3.487681 84.48193 2.639676 3.427299 
4.373992 
1 1 1 -12 -16 5  o 235.6315 3.307598  11707.72       327.0232 11186.92       
455.2931 12262.76       470.0196 230.2144 4.710638 241.0486 4.644429 -10.83429 
6.615197 
1 1 1 -12 -16 6  f 156.5617 2.627104  5156.919       168.1148 5197.783       
271.1238 5131.394       214.2820 156.9995 4.113301 156.1240 3.269168 0.8755188 
5.254208 
1 1 1 -12 -16 7  o 92.77095 2.440718  1803.783       88.09863 1835.958       
158.3074 1789.348       106.0349 93.31120 4.040997 92.23070 2.738385 1.080505 
4.881435 
1 1 1 -12 -16 8  o 138.3783 2.647497  4003.789       140.3940 4110.817       
259.6922 3959.590       166.8836 139.5705 4.431863 137.1861 2.897507 2.384415 
5.294993 
1 1 1 -12 -16 9  f 160.9243 3.214847  5525.592       194.4325 5334.117       
365.6642 5601.067       229.5766 158.7530 5.486326 163.0957 3.352788 -4.342773 
6.429694 
1 1 1 -12 -16 10 o 124.5333 2.909356  3233.822       117.3229 3332.107       
276.8858 3212.314       129.5253 125.4766 5.256046 123.5900 2.496273 1.886520 
5.818711 
1 1 1 -12 -16 11 o 96.48584 2.518496  1930.602       92.51800 2039.611       
174.2025 1887.775       109.1899 98.26534 4.222552 94.70635 2.746152 3.558983 
5.036993 
1 1 1 -12 -16 12 o 158.9629 3.245235  5324.667       203.1387 5431.608       
356.8470 5273.397       247.0801 159.8958 5.315770 158.0300 3.724083 1.865799 
6.490470 
1 1 1 -12 -16 13 o 41.57877 2.776057  366.7052       48.29388 352.5030       
70.43217 379.3074       66.34650 40.80119 4.111681 42.35636 3.730959 -1.555172 
5.552114 
1 1 1 -12 -16 14 o 31.10193 3.659688  215.8958       45.29429 165.9441       
66.79122 258.4274       61.63109 27.30315 5.990110 34.90071 4.206169 -7.597561 
7.319376 
1 1 1 -12 -16 15 o 16.04990 4.433262  31.41707       44.06506 55.40318       
63.36761 8.957709       61.31775 17.71512 6.501499 14.38468 6.028744 3.330441 
8.866524 
1 1 1 -12 -16 16 o 44.78983 3.393312  430.6964       63.52576 417.0318       
93.44613 442.4375       86.61974 44.08005 5.049407 45.49961 4.534509 -1.419559 
6.786625 
1 1 1 -12 -16 17 o 34.77046 4.976909  259.7163       68.09293 346.8936       
115.1189 212.8008       84.45067 39.00283 7.300503 30.53809 6.766178 8.464743 
9.953818 
1 1 1 -12 -16 18 o 18.87809 5.380164  45.75111       65.52380 19.55093       
105.1242 62.39680       83.79179 18.49969 7.829971 19.25649 7.380799 
-0.7568054     10.76033 
1 1 1 -12 -16 19 o 64.42131 3.520667  926.2651       90.59541 827.4979       
148.3990 984.9442       114.3842 61.20125 5.775527 67.64137 4.027863 -6.440117 
7.041334 
1 1 1 -12 -16 20 o 52.90489 3.587257  604.3186       76.28004 655.1405       
129.8828 577.5593       94.24619 54.25443 5.702136 51.55536 4.354227 2.699062 
7.174513 
1 1 1 -12 -16 21 o 16.85726 5.107958  -10.26956      66.82964 -71.02235      
87.96642 72.65928       102.7748 13.33669 6.249090 20.37782 8.081697 -7.041131 
10.21592 
1 1 1 -12 -16 22 o 19.46365 5.862397  39.06044       80.95892 29.68337       
100.5624 56.33220       136.4804 17.95805 7.632015 20.96925 8.900737 -3.011196 
11.72479 
1 1 1 -12 -16 23 o 35.82271 7.461970  321.8392       108.5283 0.000000       
0.000000 321.8392       108.5283 ?        ?        35.82271 7.461970 ? ? 
1 1 1 -12 -16 24 o 23.11181 5.817714  142.4358       71.24090 142.1947       
98.90318 142.6958       102.7040 23.09628 8.156858 23.12734 8.297522 
-0.3105736E-01 11.63543 
1 1 1 -12 -15 1  o 80.78633 2.795667  1362.569       94.16771 1290.577       
124.7805 1457.814       143.5247 78.33290 3.794228 83.23975 4.106927 -4.906853 
5.591334 
1 1 1 -12 -15 2  o 69.41946 2.740771  1009.864       79.54774 972.4403       
106.9394 1056.224       119.0234 67.99051 3.746367 70.84843 4.001503 -2.857918 
5.481541 
1 1 1 -12 -15 3  o 51.08160 2.595197  557.4547       54.04422 510.7650       
85.44578 588.5880       69.77386 49.25571 4.131950 52.90750 3.141207 -3.651783 
5.190394 
1 1 1 -12 -15 4  o 146.1219 2.923384  4555.667       159.7887 4365.948       
302.3419 4629.195       188.2233 143.8726 5.005429 148.3713 3.021653 -4.498688 
5.846769 
1 1 1 -12 -15 5  o 64.95906 2.319213  877.7515       59.66103 918.0652       
104.3296 858.1624       72.72566 66.03082 3.763413 63.88730 2.711404 2.143524 
4.638426 
1 1 1 -12 -15 6  o 154.2809 3.078190  5028.372       169.4052 5002.964       
347.7062 5036.279       193.9859 153.8372 5.383593 154.7245 2.986291 
-0.8873291     6.156379 
1 1 1 -12 -15 7  o 88.29602 2.222403  1648.910       78.84624 1612.770       
131.5384 1669.178       98.50392 87.50266 3.580572 89.08939 2.633593 -1.586723 
4.444807 
1 1 1 -12 -15 8  o 55.29449 2.538296  607.7844       56.86098 788.7937       
97.36480 514.0980       70.04704 61.17865 3.790733 49.41034 3.376704 11.76830 
5.076592 
1 1 1 -12 -15 9  f 149.3464 2.627755  4737.556       160.8442 4515.732       
253.6381 4886.765       208.0210 146.3337 4.128489 152.3590 3.252071 -6.025330 
5.255511 
1 1 1 -12 -15 10 o 170.6978 2.386350  6038.427       164.4797 5796.451       
204.2646 6484.651       277.3853 165.9764 2.931352 175.4191 3.766409 -9.442764 
4.772700 
1 1 1 -12 -15 11 o 49.69021 2.682948  508.2162       54.49923 573.3351       
89.84170 470.3021       68.55280 52.13107 4.104898 47.24934 3.455815 4.881733 
5.365897 
1 1 1 -12 -15 12 o 93.64324 2.763567  1717.021       87.26959 2081.312       
202.7585 1634.189       96.68339 99.16027 4.870375 88.12621 2.613171 11.03406 
5.527134 
1 1 1 -12 -15 13 f 124.7226 3.029163  3414.202       136.7686 3045.067       
266.6479 3545.987       159.3227 119.7146 5.305326 129.7305 2.925207 -10.01590 
6.058326 
1 1 1 -12 -15 14 o 157.5747 2.661481  5309.708       172.4983 4927.789       
266.8880 5583.720       226.0625 152.5223 4.167894 162.6272 3.310979 -10.10490 
5.322962 
1 1 1 -12 -15 15 o 75.30983 2.212229  1191.735       69.61161 1038.364       
95.14120 1368.432       102.1203 70.10615 3.232463 80.51351 3.021094 -10.40736 
4.424458 
1 1 1 -12 -15 16 f 27.96415 4.083473  179.4676       49.25648 65.59293       
69.84157 292.1605       69.47821 18.89325 6.836080 37.03505 4.468449 -18.14179 
8.166946 
1 1 1 -12 -15 17 o 87.62482 2.671685  1666.121       95.32832 1475.025       
149.2740 1797.729       123.8790 83.13671 4.276734 92.11293 3.203303 -8.976219 
5.343370 
1 1 1 -12 -15 18 o 23.27116 5.603748  112.8208       64.06842 131.4657       
104.3467 101.5385       81.17024 24.66148 8.405357 21.88084 7.413363 2.780640 
11.20750 
1 1 1 -12 -15 19 o 60.43853 2.894234  787.7215       72.59901 759.1426       
110.1451 809.6747       96.53654 59.35303 4.420215 61.52403 3.737387 -2.170994 
5.788467 
1 1 1 -12 -15 20 f 49.53721 3.662262  511.9844       74.23331 393.6805       
94.41122 703.5635       120.1429 42.34458 5.310640 56.72984 5.044378 -14.38527 
7.324524 
1 1 1 -12 -15 21 o 30.84502 7.394784  228.3563       94.66277 228.3563       
94.66277 0.000000       0.000000 30.84502 7.394784 ?        ?        ? ? 
1 1 1 -12 -15 22 o 55.95651 3.815743  707.7064       87.79534 655.3862       
135.1687 745.8870       115.4683 53.74881 5.990023 58.16422 4.728551 -4.415409 
7.631486 
1 1 1 -12 -15 23 o 60.66327 3.465388  821.5720       88.06649 886.9954       
125.2603 757.6223       123.8414 63.18144 4.722208 58.14509 5.073106 5.036350 
6.930776 
1 1 1 -12 -15 24 o 28.69300 6.246426  222.3411       82.50910 252.5803       
122.0103 196.8593       112.0021 30.34631 8.964528 27.03970 8.701067 3.306610 
12.49285 
1 1 1 -12 -15 25 o 21.67402 5.759728  101.6165       79.13096 0.4937752      
111.2060 205.3338       112.6236 16.65602 7.512909 26.69202 8.732358 -10.03599 
11.51946 
1 1 1 -12 -14 1  o 61.32241 3.232419  799.6797       82.13554 856.9650       
110.2381 728.1950       123.1451 63.83129 4.113573 58.81352 4.987247 5.017769 
6.464837 
1 1 1 -12 -14 2  f 278.2039 5.247979  16355.60       612.8419 16793.54       
875.5828 15935.02       858.0613 281.8593 7.399220 274.5486 7.444237 7.310730 
10.49596 
1 1 1 -12 -14 3  o 104.3264 2.382908  2268.445       97.32346 2343.667       
173.5517 2233.938       117.5449 105.5473 3.916543 103.1055 2.715456 2.441780 
4.765817 
1 1 1 -12 -14 4  o 130.5275 2.589308  3577.242       140.9035 3642.184       
213.0569 3526.757       187.8502 131.5628 3.857301 129.4921 3.455328 2.070724 
5.178616 
1 1 1 -12 -14 5  o 70.65106 2.248399  1042.428       64.77988 1080.260       
105.8059 1019.742       81.93113 71.65456 3.517120 69.64757 2.801974 2.006989 
4.496798 
1 1 1 -12 -14 6  o 189.9145 3.193484  7523.619       240.1151 7844.046       
419.7218 7367.733       292.7530 192.7585 5.186437 187.0704 3.727497 5.688049 
6.386968 
1 1 1 -12 -14 7  o 143.1609 3.030871  4425.529       165.3884 4067.785       
299.9176 4581.853       198.2574 138.7638 5.148098 147.5579 3.200281 -8.794052 
6.061742 
1 1 1 -12 -14 8  o 46.65763 2.759545  454.4839       53.15646 482.0198       
84.16146 436.2092       68.56299 47.80776 4.193107 45.50750 3.588623 2.300259 
5.519090 
1 1 1 -12 -14 9  o 176.2930 3.833111  6700.095       250.9590 6308.730       
477.6183 6849.354       294.9574 172.3282 6.601548 180.2578 3.897502 -7.929581 
7.666222 
1 1 1 -12 -14 10 o 194.9184 3.941425  7870.070       236.2720 8298.804       
597.7686 7790.689       257.2170 197.4519 7.210954 192.3848 3.184565 5.067123 
7.882849 
1 1 1 -12 -14 11 o 167.5000 2.100655  5669.237       121.9848 5498.136       
136.9914 6324.363       268.0576 161.7487 2.017314 173.2512 3.685301 -11.50244 
4.201309 
1 1 1 -12 -14 12 o 151.7761 3.349469  4918.530       180.0473 4773.498       
370.8429 4963.261       205.9491 150.0211 5.887878 153.5312 3.195100 -3.510117 
6.698938 
1 1 1 -12 -14 13 o 43.44260 3.216453  391.1794       54.77418 421.2499       
98.30409 377.6404       65.96246 44.57563 5.252852 42.30957 3.713464 2.266060 
6.432905 
1 1 1 -12 -14 14 o 159.0875 3.617071  5479.585       210.8258 5155.246       
409.3422 5596.681       245.9560 155.3592 6.275824 162.8158 3.598173 -7.456619 
7.234142 
1 1 1 -12 -14 15 o 89.53424 2.435973  1705.503       89.57921 1632.896       
140.5536 1755.169       116.2476 87.85461 3.810645 91.21386 3.035597 -3.359245 
4.871947 
1 1 1 -12 -14 16 f 73.42944 2.380534  1148.468       72.74429 1058.786       
107.5644 1224.057       98.75158 70.72668 3.622483 76.13219 3.089561 -5.405510 
4.761068 
1 1 1 -12 -14 17 o 129.4165 2.439373  3417.003       128.1655 3072.509       
158.9071 4058.219       216.7979 120.5282 3.140335 138.3049 3.733693 -17.77675 
4.878747 
1 1 1 -12 -14 18 f 61.45815 2.357816  796.5723       60.62734 746.4957       
81.69449 857.9619       90.45294 59.33118 3.279675 63.58511 3.388350 -4.253937 
4.715632 
1 1 1 -12 -14 19 o 20.25895 5.548925  56.56449       68.68784 16.12692       
91.87363 107.8130       103.4282 17.40302 7.340553 23.11488 8.323375 -5.711863 
11.09785 
1 1 1 -12 -14 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -14 21 o 55.45891 3.346902  667.0307       77.60824 636.4948       
104.2719 704.9554       116.2044 54.10324 4.590552 56.81458 4.871739 -2.711330 
6.693804 
1 1 1 -12 -14 22 o 39.45609 4.789146  367.3125       75.95918 412.5655       
102.6551 312.5546       112.9225 42.95637 5.692118 35.95580 7.703471 7.000576 
9.578292 
1 1 1 -12 -14 23 o 76.71141 3.289430  1292.143       105.6966 1197.527       
143.9841 1402.716       155.6520 73.67773 4.654781 79.74509 4.649130 -6.067368 
6.578860 
1 1 1 -12 -14 24 o 27.73245 6.174927  200.6650       79.76807 196.3168       
106.2320 206.2859       120.7816 27.53030 8.413754 27.93460 9.040334 
-0.4043007     12.34985 
1 1 1 -12 -14 25 o 68.64275 3.927381  1089.393       112.7108 1156.551       
168.8427 1035.410       151.3779 70.34347 5.717151 66.94202 5.386229 3.401451 
7.854762 
1 1 1 -12 -14 26 o 54.35748 4.392769  717.4402       99.58101 764.3494       
151.2366 681.5367       132.3109 55.57565 6.481768 53.13932 5.930629 2.436333 
8.785539 
1 1 1 -12 -13 1  o 46.31283 3.904860  456.4919       74.85417 539.3522       
105.2334 371.6289       106.4975 50.62669 4.951024 41.99897 6.039791 8.627716 
7.809719 
1 1 1 -12 -13 2  o 243.0641 5.491930  12440.33       551.1860 12724.01       
865.6653 12246.90       714.8090 245.2489 8.407444 240.8793 7.068244 4.369583 
10.98386 
1 1 1 -12 -13 3  o 101.5250 2.500039  2118.213       97.57928 2287.948       
181.6751 2049.393       115.6820 104.2899 4.149295 98.76015 2.790005 5.529747 
5.000078 
1 1 1 -12 -13 4  o 48.97559 2.766088  499.0138       56.47565 551.2562       
86.34988 459.9617       74.65720 51.18808 4.018037 46.76310 3.802678 4.424980 
5.532177 
1 1 1 -12 -13 5  o 55.33029 2.703165  666.9562       60.21095 547.9866       
94.60365 747.9608       78.06283 51.01444 4.417085 59.64613 3.117332 -8.631691 
5.406330 
1 1 1 -12 -13 6  o 112.4625 2.690615  2637.826       109.3949 2709.625       
222.0150 2614.804       125.7155 113.3900 4.663681 111.5350 2.684718 1.854950 
5.381229 
1 1 1 -12 -13 7  o 110.5189 2.344254  2554.437       102.8931 2617.508       
178.0406 2522.808       126.0799 111.4969 3.803447 109.5409 2.741515 1.956039 
4.688509 
1 1 1 -12 -13 8  o 93.74628 2.519352  1856.469       94.69448 1829.924       
159.0446 1871.047       117.8624 93.18255 4.065421 94.31000 2.976724 -1.127449 
5.038703 
1 1 1 -12 -13 9  o 49.49789 2.674717  514.7858       54.60950 524.0952       
85.97257 508.4890       70.70562 49.85519 4.107434 49.14059 3.427162 0.7145958 
5.349435 
1 1 1 -12 -13 10 o 150.5479 3.402132  4842.631       184.3763 4681.028       
370.5577 4895.803       212.5554 148.6099 5.939217 152.4858 3.320196 -3.875931 
6.804263 
1 1 1 -12 -13 11 o 107.7810 2.734412  2456.647       107.7976 2431.443       
212.9483 2465.331       124.9961 107.3012 4.727056 108.2608 2.750087 
-0.9596100     5.468824 
1 1 1 -12 -13 12 o 206.8691 2.884004  9004.590       250.1965 8568.832       
344.2793 9492.303       364.2251 201.5794 4.068045 212.1588 4.089122 -10.57932 
5.768007 
1 1 1 -12 -13 13 o 70.29609 2.632256  1010.352       71.63840 1122.558       
132.4946 963.9979       85.15986 72.91882 4.327925 67.67336 2.997355 5.245453 
5.264511 
1 1 1 -12 -13 14 o 76.58621 2.630680  1280.244       79.24270 1107.533       
133.2881 1374.662       98.55082 72.37651 4.386467 80.79592 2.905306 -8.419411 
5.261359 
1 1 1 -12 -13 15 o 57.03851 2.851654  676.7286       65.40760 727.1398       
111.3360 650.1606       80.82606 58.57844 4.527086 55.49857 3.468891 3.079865 
5.703307 
1 1 1 -12 -13 16 o 31.34365 3.867353  211.9054       48.95821 156.9707       
66.37727 277.4460       72.50219 26.56096 6.080721 36.12635 4.780222 -9.565392 
7.734707 
1 1 1 -12 -13 17 o 57.58770 2.477139  719.1320       58.18450 798.6843       
76.65187 610.9749       89.37663 61.50398 2.968524 53.67142 3.966450 7.832565 
4.954277 
1 1 1 -12 -13 18 o 22.81086 5.313739  110.4895       58.88462 113.5637       
86.09987 107.7881       80.71188 23.11241 7.635159 22.50930 7.392403 0.6031132 
10.62748 
1 1 1 -12 -13 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -13 20 o 47.27891 3.774017  481.8286       74.45630 414.3036       
100.8621 562.6901       110.3739 43.61559 5.508169 50.94223 5.160708 -7.326645 
7.548035 
1 1 1 -12 -13 21 o 24.24360 6.030480  128.2463       76.34750 136.0918       
105.6827 119.6824       110.4162 24.67461 8.458767 23.81258 8.597442 0.8620281 
12.06096 
1 1 1 -12 -13 22 o 56.03769 3.659424  693.1729       85.74818 740.4750       
119.2584 642.5453       123.3791 58.16423 4.883757 53.91116 5.451096 4.253067 
7.318847 
1 1 1 -12 -13 23 o 21.17269 5.732781  65.10032       76.07201 -10.53012      
102.1716 159.1808       113.9545 16.64074 7.369119 25.70464 8.783804 -9.063900 
11.46556 
1 1 1 -12 -13 24 o 48.00742 4.181700  527.8709       83.80321 571.0613       
116.4890 481.5384       120.6518 50.30034 5.516139 45.71449 6.286387 4.585846 
8.363400 
1 1 1 -12 -13 25 o 41.45613 5.080718  417.5052       86.39977 379.0140       
118.7616 460.7823       125.9286 38.97252 7.527007 43.93974 6.826341 -4.967228 
10.16144 
1 1 1 -12 -13 26 o 35.05355 5.971997  337.1383       87.39076 285.1441       
121.6627 392.5612       125.6102 31.74730 8.818385 38.35980 8.055749 -6.612501 
11.94399 
1 1 1 -12 -12 1  o 35.33226 7.602610  273.6502       109.5433 0.000000       
0.000000 273.6502       109.5433 ?        ?        35.33226 7.602610 ? ? 
1 1 1 -12 -12 2  o 157.6451 3.878103  5232.856       256.6284 5148.401       
364.1039 5316.230       361.7623 156.3757 5.545966 158.9144 5.422269 -2.538696 
7.756206 
1 1 1 -12 -12 3  o 65.92557 2.441967  921.8120       65.46791 878.9429       
105.4422 948.7057       83.51582 64.65582 3.884434 67.19531 2.960403 -2.539490 
4.883934 
1 1 1 -12 -12 4  o 144.4786 3.296239  4438.399       193.4483 4207.354       
311.8921 4582.854       246.6160 141.3408 5.256032 147.6165 3.979307 -6.275711 
6.592477 
1 1 1 -12 -12 5  o 122.0939 2.381637  3160.581       119.4913 2997.343       
186.7516 3273.735       155.4850 119.3811 3.726060 124.8068 2.967366 -5.425735 
4.763275 
1 1 1 -12 -12 6  f 39.61578 3.786712  386.8587       52.79412 191.8797       
83.04259 519.1218       68.39530 29.54419 6.826925 49.68738 3.278697 -20.14319 
7.573424 
1 1 1 -12 -12 7  o 151.8792 3.441816  4919.133       188.7739 4752.305       
377.7338 4974.670       217.9415 149.9746 5.999143 153.7837 3.375598 -3.809097 
6.883631 
1 1 1 -12 -12 8  o 245.6083 3.955759  12601.31       384.5301 13179.60       
672.9366 12320.94       468.5637 249.4888 6.424573 241.7279 4.617032 7.760849 
7.911519 
1 1 1 -12 -12 9  o 145.3588 2.709580  4450.793       163.1624 4453.150       
252.1134 4449.094       214.0289 145.3502 4.131438 145.3674 3.506924 
-0.1721191E-01 5.419160 
1 1 1 -12 -12 10 o 201.6365 3.928471  8682.813       307.3633 8398.108       
547.5070 8813.830       371.4120 198.8767 6.557326 204.3962 4.328167 -5.519516 
7.856943 
1 1 1 -12 -12 11 o 178.9713 3.112831  6826.085       228.1113 6441.044       
359.5565 7085.458       295.1044 174.5913 4.905302 183.3514 3.833651 -8.760132 
6.225662 
1 1 1 -12 -12 12 o 215.9209 2.686291  9502.187       215.9710 9148.692       
250.4911 10526.15       426.3278 208.5339 2.861124 223.3079 4.547373 -14.77397 
5.372582 
1 1 1 -12 -12 13 o 35.88236 3.683072  268.9092       54.05677 287.2084       
88.11532 257.8661       68.45123 36.82220 5.699841 34.94253 4.666035 1.879673 
7.366144 
1 1 1 -12 -12 14 o 42.79562 3.321742  360.7229       57.61036 515.1677       
97.30236 277.3579       71.48729 49.36798 4.694605 36.22326 4.700699 13.14473 
6.643485 
1 1 1 -12 -12 15 o 18.53854 4.440049  47.64989       48.28327 124.6292       
68.17355 -29.82513      68.39269 23.80220 6.597738 13.27487 5.943567 10.52733 
8.880098 
1 1 1 -12 -12 16 o 70.48421 2.396022  1051.036       70.68460 1142.268       
99.76451 959.0729       100.1629 73.58036 3.229500 67.38805 3.540341 6.192307 
4.792044 
1 1 1 -12 -12 17 o 150.1100 3.383483  4775.136       210.4003 4901.233       
326.9513 4686.005       274.8793 151.6458 5.135395 148.5743 4.406761 3.071487 
6.766965 
1 1 1 -12 -12 18 o 53.44571 6.401111  616.7288       143.6306 0.000000       
0.000000 616.7288       143.6306 ?        ?        53.44571 6.401111 ? ? 
1 1 1 -12 -12 19 o 77.85551 2.806322  1284.439       91.43101 1352.205       
136.0538 1228.632       123.4667 79.69457 4.066333 76.01645 3.868683 3.678123 
5.612644 
1 1 1 -12 -12 20 o 80.66639 2.908105  1397.572       97.75336 1206.945       
138.4516 1587.060       138.0376 75.05229 4.393949 86.28049 3.810711 -11.22820 
5.816210 
1 1 1 -12 -12 21 o 63.00292 3.106755  848.4404       81.58064 902.1457       
124.4365 807.9570       108.0384 64.67072 4.583120 61.33512 4.195560 3.335590 
6.213510 
1 1 1 -12 -12 22 o 22.86656 5.799832  82.73382       80.73177 198.5412       
114.4676 -31.88473      113.8786 28.71503 8.725463 17.01808 7.643201 11.69695 
11.59966 
1 1 1 -12 -12 23 o 64.46823 3.637535  907.8040       98.00047 821.5095       
131.3843 1016.032       147.1368 61.05756 5.125368 67.87891 5.163065 -6.821358 
7.275070 
1 1 1 -12 -12 24 o 54.90245 3.733429  673.1082       85.88734 700.6890       
119.6976 643.8379       123.3089 56.18616 5.074313 53.61875 5.477710 2.567413 
7.466857 
1 1 1 -12 -12 25 o 39.85036 5.143492  383.7252       83.67838 388.0762       
113.0717 378.4571       124.4186 40.73441 6.611709 38.96632 7.880822 1.768082 
10.28698 
1 1 1 -12 -12 26 o 41.01249 5.280609  417.9817       87.63468 307.2967       
119.5332 546.6132       128.8600 34.03534 8.404384 47.98964 6.395752 -13.95430 
10.56122 
1 1 1 -12 -12 27 o 48.38639 4.676579  577.1357       94.59946 548.2650       
127.0473 613.0600       141.7198 47.26814 6.402033 49.50464 6.818764 -2.236496 
9.353158 
1 1 1 -12 -11 1  f 79.07918 2.713331  1323.165       89.23493 1238.948       
133.1671 1391.800       120.2185 76.77251 4.131542 81.38585 3.518385 -4.613342 
5.426663 
1 1 1 -12 -11 2  o 317.0855 7.125481  21320.07       932.1656 21127.15       
1456.294 21453.97       1213.289 315.6080 10.99061 318.5630 9.071731 -2.954956 
14.25096 
1 1 1 -12 -11 3  o 201.1513 7.327760  8536.629       618.8322 8536.629       
618.8322 0.000000       0.000000 201.1513 7.327760 ?        ?        ? ? 
1 1 1 -12 -11 4  o 119.7943 3.046354  3013.810       145.4487 3032.613       
248.7388 3004.041       179.2968 120.0415 4.935521 119.5470 3.572356 0.4944992 
6.092708 
1 1 1 -12 -11 5  o 245.7209 4.926306  12777.67       451.5900 12679.62       
865.5243 12814.34       529.3539 244.7490 8.423245 246.6927 5.111058 -1.943771 
9.852612 
1 1 1 -12 -11 6  o 113.0428 2.397826  2670.383       111.3922 2764.669       
178.0612 2609.758       142.7817 114.6556 3.699091 111.4300 3.052049 3.225639 
4.795652 
1 1 1 -12 -11 7  o 61.30290 2.613464  779.9411       63.60049 822.9544       
110.8967 758.8592       77.63752 62.52532 4.224582 60.08049 3.077934 2.444828 
5.226927 
1 1 1 -12 -11 8  o 296.6791 6.352908  18665.35       658.9219 18902.32       
1394.920 18597.29       747.5864 296.6892 11.19872 296.6691 6.002196 
0.2017212E-01  12.70582 
1 1 1 -12 -11 9  o 93.28844 2.407217  1814.338       90.07987 1888.645       
153.1703 1775.049       111.3766 94.70267 3.852419 91.87422 2.887496 2.828445 
4.814433 
1 1 1 -12 -11 10 o 149.5511 3.132857  4698.075       180.7696 4767.185       
329.4473 4668.304       216.2275 150.1944 5.224603 148.9077 3.458715 1.286667 
6.265715 
1 1 1 -12 -11 11 o 175.6392 3.225053  6511.465       235.7230 6517.862       
357.8920 6506.562       313.2715 175.6504 4.853151 175.6280 4.248623 
0.2243042E-01  6.450107 
1 1 1 -12 -11 12 o 161.8520 3.115099  5605.002       187.5288 5360.860       
357.7235 5697.521       220.2134 159.1847 5.352630 164.5193 3.188218 -5.334625 
6.230199 
1 1 1 -12 -11 13 o 106.0623 2.126714  2359.505       94.33898 2284.633       
127.1472 2451.207       140.7127 104.2050 2.906291 107.9196 3.105660 -3.714577 
4.253428 
1 1 1 -12 -11 14 o 151.5525 2.458126  4841.967       154.9981 4808.549       
235.0669 4867.672       206.1663 151.0538 3.706645 152.0512 3.229602 
-0.9974060     4.916253 
1 1 1 -12 -11 15 o 134.1623 2.639559  3627.847       140.8514 3308.039       
170.3871 4318.040       250.3096 125.3151 3.238578 143.0095 4.169016 -17.69444 
5.279118 
1 1 1 -12 -11 16 o 36.68069 4.789608  296.0212       71.03333 281.0306       
98.20262 312.4716       102.8726 35.68557 6.799113 37.67582 6.747848 -1.990246 
9.579216 
1 1 1 -12 -11 17 o 82.73268 5.252039  1457.234       182.4249 0.000000       
0.000000 1457.234       182.4249 ?        ?        82.73268 5.252039 ? ? 
1 1 1 -12 -11 18 o 49.24368 3.336401  513.2252       68.65678 543.7263       
103.2049 489.0106       91.95643 50.52816 4.865056 47.95921 4.567001 2.568943 
6.672801 
1 1 1 -12 -11 19 o 70.89557 2.892707  1067.800       86.00301 1076.353       
124.8314 1060.073       118.6566 71.14671 4.179171 70.64442 4.000693 0.5022888 
5.785414 
1 1 1 -12 -11 20 o 23.38039 5.346939  119.5659       60.52834 92.64611       
93.15874 139.2325       79.62555 21.90144 7.898074 24.85934 7.209678 -2.957901 
10.69388 
1 1 1 -12 -11 21 o 72.73259 2.978416  1103.956       88.35482 1255.582       
146.6894 1017.627       110.6856 76.41973 4.572085 69.04546 3.818362 7.374275 
5.956832 
1 1 1 -12 -11 22 o 21.98706 5.583809  93.64206       66.02477 134.4772       
100.6714 62.82001       87.46208 24.52586 8.256003 19.44826 7.520246 5.077600 
11.16762 
1 1 1 -12 -11 23 o 37.52332 5.236526  334.4792       80.26410 237.8950       
114.2189 428.7039       112.8152 31.23437 8.489268 43.81227 6.133283 -12.57791 
10.47305 
1 1 1 -12 -11 24 o 37.12130 5.630963  337.3181       85.15558 367.2904       
117.4313 304.0783       123.6669 39.25605 7.396224 34.98656 8.492753 4.269489 
11.26193 
1 1 1 -12 -11 25 f 22.74009 5.976460  94.01142       78.53746 29.01597       
101.4446 191.2497       124.0812 18.06987 7.672064 27.41031 9.165790 -9.340435 
11.95292 
1 1 1 -12 -11 26 o 27.90437 5.667487  207.0510       82.19583 314.8399       
106.7016 49.73303       128.9060 35.65514 7.377788 20.15361 8.605225 15.50153 
11.33497 
1 1 1 -12 -11 27 o 40.00917 5.681288  440.8057       90.58212 521.0358       
117.0174 320.8528       143.0828 46.94061 5.937763 33.07772 9.687677 13.86289 
11.36258 
1 1 1 -12 -11 28 o 21.05013 6.201778  101.3068       91.49777 119.4128       
125.7713 80.95104       133.3564 21.75429 8.819016 20.34598 8.721993 1.408310 
12.40356 
1 1 1 -12 -10 1  o 154.1768 2.452992  4954.224       154.6462 5167.592       
251.1440 4823.911       196.2694 156.8150 3.814665 151.5386 3.084966 5.276352 
4.905984 
1 1 1 -12 -10 2  o 158.0782 2.584483  5260.479       170.9297 5376.372       
233.7324 5127.243       250.6116 159.9609 3.480376 156.1956 3.821674 3.765350 
5.168966 
1 1 1 -12 -10 3  o 293.0536 5.523341  18155.38       651.6174 17999.06       
1086.007 18243.32       814.5308 291.8491 8.863300 294.2581 6.593260 -2.408936 
11.04668 
1 1 1 -12 -10 4  f 143.9749 3.329615  4355.841       201.2610 0.000000       
0.000000 4355.841       201.2610 ?        ?        143.9749 3.329615 ? ? 
1 1 1 -12 -10 5  o 138.8246 2.780383  3993.337       155.0761 4251.820       
264.0973 3857.312       191.5827 142.1737 4.424517 135.4754 3.368347 6.698227 
5.560765 
1 1 1 -12 -10 6  o 218.6656 3.696115  10013.65       322.2637 10248.14       
552.8113 9892.933       396.6298 220.4861 5.971959 216.8451 4.356692 3.641006 
7.392229 
1 1 1 -12 -10 7  o 21.49631 4.650361  98.75104       45.57104 82.36632       
74.21118 108.6696       57.73971 20.66989 7.088034 22.32272 6.021893 -1.652832 
9.300722 
1 1 1 -12 -10 8  o 110.0462 2.891902  2563.665       119.1709 2516.274       
226.5240 2581.800       140.1299 109.2716 4.937739 110.8208 3.011831 -1.549194 
5.783804 
1 1 1 -12 -10 9  o 62.46182 2.642363  820.5520       64.80879 822.8292       
114.0655 819.4665       78.75561 62.49677 4.347283 62.42687 3.004907 
0.6990051E-01  5.284726 
1 1 1 -12 -10 10 o 131.5807 2.629797  3608.997       141.6134 3805.723       
229.9532 3488.805       179.7409 134.4003 4.075308 128.7612 3.324934 5.639053 
5.259593 
1 1 1 -12 -10 11 o 93.43594 2.337792  1859.806       88.72209 1746.213       
142.6688 1931.438       113.2936 91.04624 3.732398 95.82565 2.816077 -4.779411 
4.675584 
1 1 1 -12 -10 12 o 150.2379 3.654742  4788.613       211.2148 4732.781       
384.2826 4812.780       252.8291 149.3874 6.127141 151.0885 3.985812 -1.701141 
7.309484 
1 1 1 -12 -10 13 o 148.4596 2.573401  4619.472       158.1540 4506.094       
205.9362 4782.481       246.9310 146.2905 3.353033 150.6288 3.904708 -4.338364 
5.146802 
1 1 1 -12 -10 14 o 113.6747 2.489974  2673.536       116.8647 2475.066       
149.9904 2980.170       186.4346 108.4246 3.295011 118.9249 3.734002 -10.50037 
4.979947 
1 1 1 -12 -10 15 o 46.28654 3.816162  434.0639       72.47814 339.0176       
92.54697 584.8208       116.5556 40.00763 5.509858 52.56544 5.281461 -12.55780 
7.632323 
1 1 1 -12 -10 16 o 166.4694 8.020452  5951.747       560.5471 0.000000       
0.000000 5951.747       560.5471 ?        ?        166.4694 8.020452 ? ? 
1 1 1 -12 -10 17 o 64.99165 2.814117  875.9989       75.59081 987.7663       
120.2929 803.0654       97.17307 68.32684 4.193433 61.65645 3.753950 6.670391 
5.628234 
1 1 1 -12 -10 18 o 47.76159 3.468868  476.9992       68.88052 545.7777       
106.9139 428.1930       90.06280 50.63947 5.028822 44.88372 4.779447 5.755753 
6.937735 
1 1 1 -12 -10 19 o 132.1297 3.202909  3676.754       176.4464 3413.751       
233.4350 4027.295       269.4980 126.7272 4.387503 137.5323 4.667367 -10.80515 
6.405817 
1 1 1 -12 -10 20 o 41.07397 3.894867  355.9190       66.51778 426.5102       
102.3140 304.2375       87.54414 44.54122 5.471345 37.60673 5.544757 6.934486 
7.789733 
1 1 1 -12 -10 21 o 56.99622 3.277371  694.4263       77.27874 710.1449       
120.5107 683.4481       100.7121 57.44407 4.996911 56.54839 4.242115 0.8956795 
6.554743 
1 1 1 -12 -10 22 o 67.66378 3.112126  986.1470       88.17411 1063.502       
124.4171 908.0920       124.9788 70.40280 4.209313 64.92476 4.585083 5.478043 
6.224251 
1 1 1 -12 -10 23 o 30.24668 5.605226  219.7386       73.87862 157.8101       
106.2448 277.7172       102.8006 26.06584 8.481462 34.42752 7.330693 -8.361675 
11.21045 
1 1 1 -12 -10 24 o 42.41497 4.425613  401.4354       78.46152 356.2822       
106.1111 455.9039       116.5439 39.75935 6.356862 45.07059 6.159101 -5.311245 
8.851227 
1 1 1 -12 -10 25 o 71.48967 3.651718  1116.316       108.7138 1299.498       
166.7215 980.8135       143.3915 76.48922 5.191734 66.49011 5.136738 9.999107 
7.303436 
1 1 1 -12 -10 26 o 42.71245 5.067218  443.2062       86.97955 505.0488       
118.9683 372.1882       127.4886 46.92976 6.038149 38.49514 8.139260 8.434620 
10.13444 
1 1 1 -12 -10 27 o 62.00260 3.880614  881.4071       101.0061 891.4827       
142.5585 871.2504       143.1315 62.40268 5.441402 61.60252 5.534238 0.8001595 
7.761227 
1 1 1 -12 -10 28 o 15.95995 5.227894  -59.70955      86.57847 29.33592       
120.5266 -154.6443      124.4485 18.19973 8.038708 13.72016 6.686007 4.479568 
10.45579 
1 1 1 -12 -9  1  o 313.7616 3.542827  20709.08       466.2104 20884.05       
646.3765 20519.36       673.0759 315.1568 4.885173 312.3663 5.132404 2.790466 
7.085654 
1 1 1 -12 -9  2  o 232.5825 3.996216  11452.39       384.7901 10926.66       
588.1118 11845.91       508.8121 227.8370 6.148323 237.3280 5.106572 -9.491043 
7.992431 
1 1 1 -12 -9  3  f 187.3072 2.606699  7373.344       159.5730 7371.301       
369.7247 7373.812       176.8973 187.2289 4.703558 187.3855 2.248570 
-0.1565247     5.213399 
1 1 1 -12 -9  4  o 284.8380 3.020268  16905.57       357.0959 16109.12       
466.4526 18033.26       555.0409 276.8311 4.013412 292.8448 4.514489 -16.01361 
6.040536 
1 1 1 -12 -9  5  o 175.7234 3.079813  6472.520       218.8013 6571.338       
363.3528 6416.302       274.0615 176.7309 4.897079 174.7160 3.736255 2.014923 
6.159626 
1 1 1 -12 -9  6  o 173.8399 6.716587  6374.146       490.2042 6374.146       
490.2042 0.000000       0.000000 173.8399 6.716587 ?        ?        ? ? 
1 1 1 -12 -9  7  o 133.8571 2.595791  3740.562       135.4520 3839.575       
243.0851 3695.974       163.1236 135.0929 4.285946 132.6214 2.929708 2.471573 
5.191582 
1 1 1 -12 -9  8  o 89.81223 2.313422  1686.653       81.93001 1722.413       
143.6915 1669.427       99.72980 90.49093 3.782223 89.13352 2.665048 1.357407 
4.626844 
1 1 1 -12 -9  9  f 86.45747 2.576463  1552.736       85.45535 1621.419       
158.4472 1524.562       101.4795 87.75101 4.300843 85.16393 2.838205 2.587090 
5.152927 
1 1 1 -12 -9  10 o 152.2989 3.560097  4920.244       210.7328 4821.251       
375.7159 4965.680       254.5406 151.0297 5.925408 153.5680 3.948001 -2.538330 
7.120194 
1 1 1 -12 -9  11 o 141.0925 3.416521  4276.964       189.9308 3975.573       
325.3187 4432.822       233.9407 137.1145 5.651278 145.0704 3.841032 -7.955872 
6.833042 
1 1 1 -12 -9  12 o 151.7307 2.807030  4864.640       178.0742 4704.380       
261.5094 5003.199       243.1605 149.3626 4.170291 154.0988 3.758503 -4.736145 
5.614060 
1 1 1 -12 -9  13 o 151.4924 3.222853  4798.713       201.3975 4608.410       
259.3056 5088.042       319.7319 147.8120 4.178528 155.1727 4.907853 -7.360779 
6.445705 
1 1 1 -12 -9  14 o 60.14681 3.406194  767.7952       85.35577 877.6448       
120.8435 658.4251       120.5795 64.48708 4.463460 55.80654 5.146470 8.680546 
6.812388 
1 1 1 -12 -9  15 o 105.8340 6.337258  2377.475       281.5823 0.000000       
0.000000 2377.475       281.5823 ?        ?        105.8340 6.337258 ? ? 
1 1 1 -12 -9  16 o 63.42592 2.831268  851.9805       75.08009 776.2683       
107.4120 924.3140       104.9880 60.64248 4.218878 66.20936 3.776952 -5.566883 
5.662535 
1 1 1 -12 -9  17 o 118.4005 3.014635  2962.297       149.7765 3004.164       
215.8879 2923.447       207.9661 119.1967 4.314047 117.6043 4.212018 1.592400 
6.029270 
1 1 1 -12 -9  18 o 91.58435 2.539571  1751.156       97.03326 1966.367       
147.6215 1587.435       128.7563 96.47245 3.644748 86.69625 3.537442 9.776199 
5.079142 
1 1 1 -12 -9  19 o 212.6217 4.854235  9693.870       425.4726 10060.37       
673.2891 9450.210       548.9797 215.4447 7.443664 209.7987 6.232676 5.646027 
9.708469 
1 1 1 -12 -9  20 o 75.73797 2.855955  1218.126       90.80898 1207.512       
128.4999 1228.715       128.3468 75.40404 4.059094 76.07190 4.018666 
-0.6678619     5.711911 
1 1 1 -12 -9  21 o 86.16808 2.941442  1577.542       106.2236 1460.584       
145.9371 1709.325       154.9098 82.76958 4.199678 89.56658 4.119590 -6.797005 
5.882884 
1 1 1 -12 -9  22 o 95.45634 3.108044  1936.838       123.8525 1801.187       
164.7976 2112.896       187.7454 91.70106 4.280530 99.21164 4.507417 -7.510582 
6.216088 
1 1 1 -12 -9  23 o 20.15170 5.594695  63.69158       69.05161 69.84099       
100.0218 58.09192       95.44622 20.60419 8.026608 19.69920 7.795897 0.9049835 
11.18939 
1 1 1 -12 -9  24 o 55.73565 3.658250  680.6350       85.56150 710.1725       
122.2116 652.2385       119.8281 56.94934 5.111457 54.52197 5.234900 2.427372 
7.316499 
1 1 1 -12 -9  25 o 20.31286 5.825976  56.26101       80.59971 102.7515       
104.1052 -13.30283      127.3450 22.23897 8.303457 18.38675 8.174387 3.852226 
11.65195 
1 1 1 -12 -9  26 o 24.81303 6.003320  128.0931       86.94810 251.0105       
120.9546 -3.342380      125.0753 31.26898 8.827755 18.35708 8.138189 12.91190 
12.00664 
1 1 1 -12 -9  27 o 28.01376 6.226786  194.8721       85.14912 116.7532       
113.6874 294.6861       128.5080 22.70206 8.627445 33.32547 8.981014 -10.62340 
12.45357 
1 1 1 -12 -9  28 o 36.35757 5.506384  350.9441       83.95593 460.7325       
116.5442 232.5083       121.0470 43.91605 6.321039 28.79909 9.018067 15.11696 
11.01277 
1 1 1 -12 -9  29 o 18.37130 5.655073  39.04752       83.95654 83.11662       
112.8786 -15.51703      125.6030 19.86985 8.244170 16.87274 7.742936 2.997114 
11.31015 
1 1 1 -12 -8  1  o 137.4710 2.324355  3916.274       132.5581 3645.735       
172.3692 4307.873       207.3793 131.7437 3.116384 143.1982 3.449442 -11.45453 
4.648709 
1 1 1 -12 -8  2  o 160.9569 2.969094  5298.713       187.7922 5856.276       
337.5155 5048.710       226.0059 166.8942 4.816964 155.0195 3.472598 11.87469 
5.938188 
1 1 1 -12 -8  3  o 310.0193 4.301976  20399.99       431.2308 19962.86       
1007.185 20498.11       477.1807 307.7014 7.796523 312.3371 3.638986 -4.635651 
8.603951 
1 1 1 -12 -8  4  o 256.9601 2.362090  13742.96       250.1032 13230.13       
321.3702 14530.60       398.2747 250.9568 3.050196 262.9634 3.607518 -12.00662 
4.724180 
1 1 1 -12 -8  5  o 136.5110 2.163718  3920.482       119.5856 3894.332       
196.8726 3935.773       150.5404 136.1350 3.444581 136.8870 2.619461 
-0.7519379     4.327437 
1 1 1 -12 -8  6  o 252.1806 5.241525  13706.61       511.8842 12660.83       
904.0110 14200.15       621.0357 244.6774 8.800369 259.6837 5.696301 -15.00632 
10.48305 
1 1 1 -12 -8  7  o 57.70337 3.162144  699.7236       76.60581 0.000000       
0.000000 699.7236       76.60581 ?        ?        57.70337 3.162144 ? ? 
1 1 1 -12 -8  8  o 153.5153 3.031945  4913.498       172.3347 5054.609       
337.4401 4863.705       200.4470 154.9100 5.188460 152.1206 3.138575 2.789337 
6.063891 
1 1 1 -12 -8  9  o 147.5696 2.658421  4598.590       160.1324 4504.323       
257.3162 4658.172       204.5727 146.2932 4.189517 148.8461 3.273643 -2.552902 
5.316841 
1 1 1 -12 -8  10 o 91.56669 2.568383  1743.242       93.22839 1827.140       
162.7746 1702.285       113.7301 93.15356 4.162058 89.97981 3.010590 3.173752 
5.136767 
1 1 1 -12 -8  11 o 184.4375 3.713955  7203.841       285.2946 6994.162       
427.9544 7371.567       382.7539 181.9421 5.602546 186.9330 4.877021 -4.990936 
7.427911 
1 1 1 -12 -8  12 o 74.70280 2.583897  1176.357       80.91988 1199.221       
112.1148 1151.494       116.9118 75.46874 3.538483 73.93687 3.766330 1.531868 
5.167795 
1 1 1 -12 -8  13 o 48.38503 3.817930  494.0360       75.70578 489.5307       
96.85909 501.1098       121.3680 48.14225 4.792202 48.62780 5.944845 
-0.4855461     7.635861 
1 1 1 -12 -8  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -8  15 o 184.4695 4.140895  7206.678       304.3131 7218.421       
519.9119 7200.559       375.3222 184.3158 6.718747 184.6233 4.842157 
-0.3075104     8.281791 
1 1 1 -12 -8  16 o 180.7540 3.709722  6900.102       280.2991 7045.835       
418.1369 6781.168       377.7397 182.4252 5.459525 179.0829 5.024115 3.342255 
7.419444 
1 1 1 -12 -8  17 o 116.7492 2.811909  2875.865       137.5801 2862.377       
188.7969 2891.139       200.9022 116.4754 3.860838 117.0230 4.089165 
-0.5475616     5.623819 
1 1 1 -12 -8  18 o 62.45186 2.950682  825.3686       77.11825 818.4821       
113.4265 831.2883       105.1648 62.18997 4.344253 62.71376 3.994191 
-0.5237885     5.901364 
1 1 1 -12 -8  19 o 108.3245 2.973890  2486.757       135.2296 2456.326       
191.9916 2516.718       190.5041 107.6565 4.247788 108.9924 4.163219 -1.335854 
5.947781 
1 1 1 -12 -8  20 o 108.3112 3.022290  2492.693       137.3452 2428.807       
195.9821 2554.351       192.5347 106.9196 4.365964 109.7028 4.180347 -2.783150 
6.044580 
1 1 1 -12 -8  21 f 87.51805 2.876453  1620.222       105.2597 1718.659       
157.6561 1541.051       141.3885 89.87340 4.178311 85.16270 3.954446 4.710693 
5.752906 
1 1 1 -12 -8  22 o 68.94570 3.055915  1014.139       88.33891 945.2990       
122.1804 1089.544       127.8742 66.48284 4.377367 71.40856 4.265339 -4.925720 
6.111830 
1 1 1 -12 -8  23 o 19.70752 5.552269  44.32203       71.06667 95.94656       
103.1049 -2.402162      98.08945 22.35524 8.280016 17.05980 7.399465 5.295444 
11.10454 
1 1 1 -12 -8  24 o 26.03200 4.936617  129.3167       73.15582 -60.53849      
104.7416 310.1422       102.2204 15.39762 7.067988 36.66639 6.893786 -21.26877 
9.873234 
1 1 1 -12 -8  25 o 22.58771 5.602655  93.06024       74.23281 -8.951778      
106.3932 189.8304       103.6236 17.17473 7.573622 28.00068 8.258284 -10.82595 
11.20531 
1 1 1 -12 -8  26 o 65.41371 3.410806  939.0942       93.44141 855.0466       
128.1600 1034.477       136.5288 62.24915 4.903885 68.57827 4.741971 -6.329124 
6.821611 
1 1 1 -12 -8  27 f 29.18021 6.178649  220.8805       82.22619 192.7788       
119.2384 246.3610       113.5415 27.37940 8.985142 30.98103 8.483518 -3.601622 
12.35730 
1 1 1 -12 -8  28 o 23.92215 6.045865  138.9037       78.19601 190.4488       
114.7162 94.16698       106.8718 26.76328 8.813111 21.08101 8.278829 5.682276 
12.09173 
1 1 1 -12 -8  29 o 39.70605 5.127658  401.4977       83.35593 462.0403       
121.2689 347.2742       114.7659 43.25600 6.677656 36.15611 7.783343 7.099899 
10.25532 
1 1 1 -12 -7  1  o 69.52908 2.800703  1006.455       81.17348 1092.015       
124.0411 942.3692       107.3522 72.08734 4.098526 66.97083 3.818092 5.116516 
5.601406 
1 1 1 -12 -7  2  o 244.8124 3.816183  12577.67       391.1527 12257.06       
531.0048 12958.03       578.3727 241.4224 5.238921 248.2025 5.550381 -6.780014 
7.632367 
1 1 1 -12 -7  3  o 296.8713 3.025514  18531.74       376.8913 18232.06       
539.1403 18818.15       527.0741 294.5159 4.360277 299.2268 4.195583 -4.710846 
6.051027 
1 1 1 -12 -7  4  o 514.3384 3.957720  55636.48       821.3531 55748.94       
1365.820 55572.76       1028.007 514.5818 6.322082 514.0950 4.762926 0.4868774 
7.915440 
1 1 1 -12 -7  5  o 55.71820 2.662837  687.8594       58.12854 540.6670       
95.44768 774.6374       73.28702 50.70958 4.483286 60.72683 2.874534 -10.01725 
5.325674 
1 1 1 -12 -7  6  o 25.76261 4.006732  157.7867       43.79314 69.65813       
69.20038 216.6599       56.55996 19.42373 6.826678 32.10149 4.196672 -12.67775 
8.013463 
1 1 1 -12 -7  7  o 83.63438 2.148246  1436.625       71.04861 1566.925       
125.7691 1375.553       86.10384 86.34525 3.469417 80.92352 2.534363 5.421722 
4.296493 
1 1 1 -12 -7  8  o 100.6289 2.520699  2135.766       101.7902 2104.776       
170.6523 2152.880       126.8207 100.0385 4.063179 101.2194 2.984336 -1.180817 
5.041398 
1 1 1 -12 -7  9  o 20.58224 7.630268  69.21616       87.59798 69.21616       
87.59798 0.000000       0.000000 20.58224 7.630268 ?        ?        ? ? 
1 1 1 -12 -7  10 o 53.53237 2.882174  585.1207       60.96961 655.9741       
108.6728 552.5740       73.65350 55.80594 4.638327 51.25880 3.422521 4.547146 
5.764349 
1 1 1 -12 -7  11 o 103.0303 2.889200  2236.363       124.8188 2213.171       
180.5707 2257.585       172.7311 102.5098 4.195687 103.5509 3.973176 -1.041122 
5.778401 
1 1 1 -12 -7  12 o 85.69893 3.208837  1532.909       110.1263 1497.297       
135.8619 1601.133       188.0462 84.31804 3.837942 87.07982 5.143612 -2.761780 
6.417675 
1 1 1 -12 -7  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -7  14 o 193.5844 4.316888  7934.053       348.3665 8056.554       
526.5638 7838.702       464.5689 194.8010 6.438444 192.3679 5.752262 2.433121 
8.633776 
1 1 1 -12 -7  15 o 95.13706 2.676443  1908.170       106.8424 1876.031       
152.8674 1938.862       149.3885 94.34631 3.859322 95.92782 3.709315 -1.581512 
5.352886 
1 1 1 -12 -7  16 o 136.5178 3.290491  3925.333       188.3215 4129.352       
275.5231 3746.448       257.9939 139.8314 4.693259 133.2041 4.613312 6.627243 
6.580982 
1 1 1 -12 -7  17 o 131.0207 3.163760  3620.513       173.7748 3716.593       
253.9459 3535.902       238.3082 132.6375 4.560327 129.4038 4.386449 3.233704 
6.327520 
1 1 1 -12 -7  18 o 69.91266 2.919096  1036.298       85.30762 985.3829       
124.6830 1081.110       116.9722 68.26753 4.350249 71.55779 3.893560 -3.290253 
5.838191 
1 1 1 -12 -7  19 o 189.9825 4.340545  7715.225       346.0994 7796.682       
485.0956 7630.771       493.9412 191.0535 6.047744 188.9114 6.227850 2.142105 
8.681090 
1 1 1 -12 -7  20 o 159.5477 5.313742  5422.936       296.5342 5693.195       
630.7250 5346.246       335.9828 160.6724 9.350177 158.4230 5.051494 2.249374 
10.62748 
1 1 1 -12 -7  21 o 23.89470 5.844382  115.7848       71.52285 123.7961       
102.3022 108.1250       100.0331 24.44735 8.322607 23.34205 8.207400 1.105301 
11.68876 
1 1 1 -12 -7  22 o 130.7536 3.389066  3625.796       181.4506 3506.566       
230.6664 3819.339       293.8870 128.2197 4.285000 133.2876 5.251843 -5.067963 
6.778132 
1 1 1 -12 -7  23 o 20.95040 5.596772  70.96474       69.07091 30.57701       
95.75462 114.7743       99.72856 18.44600 7.619542 23.45480 8.199878 -5.008799 
11.19354 
1 1 1 -12 -7  24 o 21.49533 5.742414  75.56676       73.34415 132.0686       
106.8433 25.21259       100.8634 24.57087 8.497128 18.41979 7.726584 6.151079 
11.48483 
1 1 1 -12 -7  25 o 67.88681 3.242657  995.6574       92.17873 1087.137       
136.1171 918.1677       125.2773 70.75375 4.582307 65.01987 4.589310 5.733879 
6.485314 
1 1 1 -12 -7  26 o 56.41925 3.687059  702.0194       87.16135 731.9794       
128.2215 676.2825       118.8418 57.48067 5.313247 55.35782 5.113415 2.122852 
7.374118 
1 1 1 -12 -7  27 o 21.31391 5.920725  84.74427       77.80131 108.7960       
113.9589 63.74703       106.4770 22.62290 8.625936 20.00492 8.112533 2.617985 
11.84145 
1 1 1 -12 -7  28 o 31.81288 6.110534  260.6845       83.09152 301.2623       
127.8806 231.0359       109.3108 33.77185 8.895082 29.85391 8.380456 3.917944 
12.22107 
1 1 1 -12 -7  29 o 20.02632 5.748427  71.01875       79.83228 -3.309683      
121.0313 128.2619       106.2141 17.42762 7.850619 22.62503 8.399134 -5.197411 
11.49685 
1 1 1 -12 -7  30 o 43.01760 5.053121  481.5051       86.34161 360.3701       
122.8943 599.5792       121.3317 36.03791 8.290024 49.99728 5.780279 -13.95937 
10.10624 
1 1 1 -12 -6  1  o 178.5182 2.558494  6710.902       189.4503 6799.804       
250.2196 6591.480       290.0088 179.9186 3.312580 177.1178 3.900048 2.800751 
5.116987 
1 1 1 -12 -6  2  o 166.2535 3.237770  5817.442       224.0619 5751.125       
338.7852 5869.004       298.7248 165.3952 4.878908 167.1118 4.257801 -1.716583 
6.475539 
1 1 1 -12 -6  3  o 82.30011 2.145999  1347.305       68.26572 1615.823       
128.5812 1241.909       80.55666 87.69944 3.492222 76.90079 2.495122 10.79865 
4.291998 
1 1 1 -12 -6  4  o 64.72475 2.381562  886.5363       62.25015 856.1590       
102.3353 904.3788       78.42930 63.83085 3.818705 65.61864 2.846900 -1.787796 
4.763123 
1 1 1 -12 -6  5  o 177.7793 2.780749  6828.358       193.2245 6114.517       
332.6939 7191.712       237.3605 170.5303 4.646911 185.0283 3.055565 -14.49797 
5.561498 
1 1 1 -12 -6  6  o 247.2635 2.689876  12901.20       278.0310 12107.81       
404.2340 13613.48       383.0139 240.0035 4.011773 254.5235 3.584327 -14.52008 
5.379752 
1 1 1 -12 -6  7  o 131.6606 2.055402  3619.788       104.0287 3696.052       
191.2086 3587.722       123.9843 132.6193 3.434170 130.7019 2.259466 1.917374 
4.110804 
1 1 1 -12 -6  8  o 104.3470 2.240959  2327.687       91.84709 2173.544       
158.5757 2405.503       112.6702 101.6817 3.714623 107.0124 2.507819 -5.330650 
4.481917 
1 1 1 -12 -6  9  o 235.5875 4.477062  11708.51       442.7552 11464.57       
625.2548 11953.84       627.0501 233.1158 6.388611 238.0592 6.273911 -4.943405 
8.954123 
1 1 1 -12 -6  10 o 112.9462 4.471304  2685.620       212.0240 0.000000       
0.000000 2685.620       212.0240 ?        ?        112.9462 4.471304 ? ? 
1 1 1 -12 -6  11 o 46.25293 3.986189  451.6795       77.07005 453.1006       
104.3448 449.9736       114.3246 46.34494 5.362774 46.16092 5.899106 0.1840210 
7.972377 
1 1 1 -12 -6  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -6  13 o 174.8432 4.125130  6460.061       289.7400 6501.478       
486.9004 6437.354       360.5194 175.0725 6.624351 174.6139 4.917802 0.4586182 
8.250260 
1 1 1 -12 -6  14 o 46.69925 3.390476  452.7217       64.72718 620.0423       
98.30976 324.6884       85.99700 54.21302 4.319307 39.18547 5.227322 15.02754 
6.780952 
1 1 1 -12 -6  15 o 182.4441 3.764641  7041.225       287.6448 7045.656       
421.8952 7037.375       393.2013 182.4484 5.507895 182.4398 5.133533 
0.8560181E-02  7.529282 
1 1 1 -12 -6  16 o 122.7831 2.932616  3173.153       150.9986 3053.126       
207.5393 3308.151       220.1024 120.3262 4.108291 125.2400 4.186036 -4.913734 
5.865232 
1 1 1 -12 -6  17 o 80.37762 2.614986  1361.586       88.22249 1365.184       
123.5113 1357.837       126.0586 80.48971 3.655000 80.26554 3.740798 0.2241669 
5.229971 
1 1 1 -12 -6  18 o 60.70211 3.172679  779.0621       80.70934 719.7136       
113.3164 840.1684       114.9823 58.34188 4.626296 63.06235 4.342922 -4.720470 
6.345359 
1 1 1 -12 -6  19 o 210.6872 4.402713  9468.741       389.3213 9289.850       
542.5367 9658.654       558.9992 208.6550 6.193291 212.7195 6.259289 -4.064499 
8.805427 
1 1 1 -12 -6  20 o 130.9364 3.089541  3635.085       169.7539 3622.576       
236.2140 3648.445       244.1175 130.7230 4.304023 131.1498 4.433558 
-0.4267731     6.179082 
1 1 1 -12 -6  21 f 70.79260 3.188816  1064.330       94.51608 1082.830       
139.4118 1048.593       128.5765 71.33154 4.655208 70.25366 4.359270 1.077881 
6.377632 
1 1 1 -12 -6  22 o 38.68715 4.734262  339.1043       73.02788 237.9759       
104.3051 436.3418       102.2788 32.29501 7.774820 45.07930 5.404177 -12.78429 
9.468525 
1 1 1 -12 -6  23 o 71.36246 3.102723  1089.980       92.89973 1053.336       
131.9937 1125.952       130.7749 70.14431 4.482102 72.58060 4.291657 -2.436287 
6.205446 
1 1 1 -12 -6  24 o 78.86437 3.042717  1338.626       100.0001 1306.203       
149.7226 1364.738       134.3639 77.88383 4.578900 79.84492 4.008265 -1.961090 
6.085435 
1 1 1 -12 -6  25 o 19.71206 5.678798  49.52827       73.30354 42.37882       
113.4708 54.64903       96.03167 19.95626 8.272012 19.46786 7.782595 0.4884033 
11.35760 
1 1 1 -12 -6  26 o 43.03125 4.504140  410.7699       80.67204 469.6610       
124.4347 368.0714       105.9553 45.58886 6.501354 40.47365 6.235503 5.115208 
9.008280 
1 1 1 -12 -6  27 o 25.76000 5.990409  157.3423       80.53481 74.21126       
117.8142 230.2599       110.3397 21.17595 8.555661 30.34404 8.386935 -9.168091 
11.98082 
1 1 1 -12 -6  28 o 55.63979 4.033608  705.7230       93.81654 658.6992       
135.4868 749.0381       130.0344 53.61273 6.019355 57.66685 5.370973 -4.054123 
8.067217 
1 1 1 -12 -6  29 o 47.71819 4.633064  546.4520       90.82444 500.6622       
138.8374 580.7072       120.0841 45.27845 7.303585 50.15792 5.702523 -4.879475 
9.266128 
1 1 1 -12 -6  30 o 58.96883 3.966398  817.1635       97.10205 985.1390       
142.4468 671.3554       132.7151 65.04769 5.216052 52.88997 5.976794 12.15773 
7.932797 
1 1 1 -12 -5  1  o 138.0716 2.915802  4002.653       157.4347 4015.131       
279.3344 3996.844       190.5889 138.2032 4.814239 137.9401 3.291004 0.2630920 
5.831604 
1 1 1 -12 -5  2  o 285.4195 5.253023  17188.60       617.6088 17008.85       
969.5765 17311.33       801.1805 284.0647 8.129913 286.7743 6.654435 -2.709656 
10.50605 
1 1 1 -12 -5  3  o 187.8392 3.228719  7412.626       219.4769 7424.540       
442.1031 7408.729       252.8326 187.8753 5.604991 187.8032 3.206647 
0.7205200E-01  6.457438 
1 1 1 -12 -5  4  o 462.4526 7.024283  44271.83       1022.336 46606.08       
2513.582 43809.15       1119.080 468.6003 12.77649 456.3050 5.841534 12.29523 
14.04857 
1 1 1 -12 -5  5  f 205.5407 3.246546  9030.179       225.1790 8633.108       
494.4890 9134.060       252.9252 202.5477 5.815008 208.5336 2.888930 -5.985901 
6.493091 
1 1 1 -12 -5  6  o 218.3906 3.699289  10123.74       309.9982 9809.727       
563.9850 10259.68       371.0818 215.8443 6.223692 220.9368 4.000577 -5.092514 
7.398578 
1 1 1 -12 -5  7  o 111.7695 2.064196  2637.094       96.38734 2432.263       
139.6029 2823.689       133.2439 107.5967 3.090412 115.9422 2.737329 -8.345421 
4.128392 
1 1 1 -12 -5  8  o 38.24662 4.096232  298.4774       53.41516 340.2153       
115.2941 287.0703       60.27410 39.54053 7.212644 36.95271 3.885129 2.587822 
8.192464 
1 1 1 -12 -5  9  o 66.67558 2.929559  905.9412       67.19517 986.2568       
148.4234 885.2358       75.36052 68.44045 5.165477 64.91071 2.765340 3.529747 
5.859118 
1 1 1 -12 -5  10 o 74.85164 2.787538  1179.511       86.27385 1173.010       
133.9881 1184.116       112.7591 74.66171 4.274539 75.04157 3.579075 
-0.3798676     5.575075 
1 1 1 -12 -5  11 o 88.62959 5.447052  1656.663       202.6839 0.000000       
0.000000 1656.663       202.6839 ?        ?        88.62959 5.447052 ? ? 
1 1 1 -12 -5  12 o 161.8189 6.790105  5544.382       461.3014 5544.382       
461.3014 0.000000       0.000000 161.8189 6.790105 ?        ?        ? ? 
1 1 1 -12 -5  13 o 182.1209 4.378566  7001.937       328.6683 7126.430       
518.5381 6918.334       424.9285 183.3288 6.737071 180.9131 5.594572 2.415695 
8.757132 
1 1 1 -12 -5  14 o 206.6989 4.100531  9087.627       344.6635 8873.510       
558.4694 9219.354       438.0352 204.4954 6.504843 208.9024 4.994438 -4.406998 
8.201061 
1 1 1 -12 -5  15 o 97.70207 2.869629  2011.465       117.6385 2051.947       
169.9154 1974.197       163.0301 98.64066 4.102964 96.76348 4.013076 1.877182 
5.739259 
1 1 1 -12 -5  16 o 80.69753 2.860396  1360.212       96.11987 1470.235       
147.5978 1279.189       126.6598 83.48980 4.210829 77.90527 3.872515 5.584534 
5.720791 
1 1 1 -12 -5  17 o 82.60625 2.880191  1433.345       99.61018 1512.473       
147.7165 1367.357       134.8951 84.68124 4.154921 80.53127 3.989815 4.149971 
5.760382 
1 1 1 -12 -5  18 o 209.0963 4.603321  9288.751       403.6379 9108.537       
555.4752 9490.364       587.5332 206.9986 6.391730 211.1940 6.626313 -4.195435 
9.206641 
1 1 1 -12 -5  19 o 76.39102 3.031765  1233.471       97.21238 1245.147       
139.1942 1222.354       135.8258 76.73971 4.320381 76.04234 4.254494 0.6973724 
6.063531 
1 1 1 -12 -5  20 o 199.6245 4.899684  8547.649       406.3731 8652.753       
622.3796 8469.542       536.5268 200.3732 7.398382 198.8757 6.425851 1.497452 
9.799368 
1 1 1 -12 -5  21 o 84.54381 3.052086  1519.743       108.0905 1416.189       
153.7907 1620.835       151.9520 81.65549 4.486067 87.43214 4.139580 -5.776649 
6.104172 
1 1 1 -12 -5  22 o 26.28056 5.973022  150.5927       74.80064 141.2753       
110.2498 158.5398       101.8205 25.81191 8.639842 26.74920 8.249916 
-0.9372845     11.94604 
1 1 1 -12 -5  23 o 41.10353 4.467536  375.3130       74.39286 342.4455       
110.5952 402.4741       100.5373 39.01017 7.007386 43.19689 5.543651 -4.186722 
8.935073 
1 1 1 -12 -5  24 o 84.60883 3.102360  1536.809       107.3020 1528.139       
172.1804 1542.314       137.2032 84.20526 4.870410 85.01241 3.844173 
-0.8071442     6.204721 
1 1 1 -12 -5  25 o 20.57853 5.418895  61.17408       70.80431 -43.84983      
107.1889 142.4734       94.30813 16.18563 7.334269 24.97143 7.979109 -8.785797 
10.83779 
1 1 1 -12 -5  26 o 31.00603 5.701783  228.2567       74.82462 269.9522       
113.1151 195.8175       99.77238 33.45253 8.123592 28.55953 8.003034 4.892996 
11.40357 
1 1 1 -12 -5  27 o 50.71396 4.064618  574.4793       86.26122 639.1317       
124.6409 515.0455       119.5047 53.55782 5.543177 47.87011 5.946231 5.687714 
8.129235 
1 1 1 -12 -5  28 f 16.40490 5.227936  -65.06001      78.57813 50.18422       
120.6519 -149.9500      103.5506 20.09459 8.440846 12.71520 6.170686 7.379391 
10.45587 
1 1 1 -12 -5  29 o 68.81455 3.448205  1060.019       99.59787 1090.665       
141.5593 1029.977       140.1565 69.84207 4.827724 67.78703 4.924789 2.055038 
6.896410 
1 1 1 -12 -5  30 o 25.85821 6.186048  183.8896       86.38136 93.44340       
129.2175 256.9654       116.1483 21.28892 8.826055 30.42750 8.670036 -9.138573 
12.37210 
1 1 1 -12 -5  31 f 20.87797 6.120286  100.0243       88.08689 90.06656       
131.2004 108.1969       118.8593 20.63358 8.740953 21.12237 8.568974 
-0.4887886     12.24057 
1 1 1 -12 -4  1  o 197.5180 3.651246  8186.839       301.7100 8022.145       
408.0378 8385.497       448.1410 195.3421 4.975372 199.6940 5.345285 -4.351868 
7.302493 
1 1 1 -12 -4  2  o 142.1254 2.455450  4164.127       137.9282 4017.085       
167.3128 4476.006       243.6693 138.2992 2.881580 145.9515 3.976612 -7.652374 
4.910901 
1 1 1 -12 -4  3  o 345.5544 5.678962  25116.03       699.5223 25268.13       
1441.391 25069.17       800.0558 345.8653 9.926495 345.2436 5.519703 0.6216431 
11.35792 
1 1 1 -12 -4  4  o 90.30304 2.200397  1727.566       81.87561 1631.183       
126.7371 1796.606       107.2633 88.11664 3.425838 92.48943 2.762358 -4.372795 
4.400795 
1 1 1 -12 -4  5  o 86.91084 2.154826  1601.026       74.92956 1538.402       
125.6038 1635.626       93.36176 85.57049 3.496228 88.25121 2.519820 -2.680717 
4.309652 
1 1 1 -12 -4  6  o 313.8352 4.447691  20889.13       570.4210 20053.48       
908.6872 21432.58       732.7919 308.5025 7.015794 319.1679 5.468679 -10.66547 
8.895382 
1 1 1 -12 -4  7  o 308.5446 8.120050  19822.41       615.3262 20683.04       
2015.121 19733.91       646.1890 310.8058 15.44305 306.2834 5.025245 4.522491 
16.24010 
1 1 1 -12 -4  8  f 46.13698 3.811649  456.1756       61.82156 433.1704       
128.0695 463.1649       70.59067 45.32977 6.729507 46.94419 3.581677 -1.614426 
7.623298 
1 1 1 -12 -4  9  o 120.4469 6.769100  3060.329       342.2990 3060.329       
342.2990 0.000000       0.000000 120.4469 6.769100 ?        ?        ? ? 
1 1 1 -12 -4  10 f 115.5100 3.570322  2805.290       173.1434 0.000000       
0.000000 2805.290       173.1434 ?        ?        115.5100 3.570322 ? ? 
1 1 1 -12 -4  11 o 131.9104 2.231265  3680.198       119.6106 3567.757       
193.8624 3749.310       151.9882 130.2483 3.545214 133.5724 2.710281 -3.324097 
4.462529 
1 1 1 -12 -4  12 o 49.36356 3.482859  522.3752       70.87336 453.3333       
106.2275 577.7636       95.14578 46.35032 5.458902 52.37680 4.326848 -6.026485 
6.965718 
1 1 1 -12 -4  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -4  14 o 112.7953 3.123959  2683.880       147.7209 2674.764       
214.5822 2692.092       203.6629 112.5984 4.539234 112.9923 4.293231 
-0.3938599     6.247918 
1 1 1 -12 -4  15 o 50.63273 3.387223  540.9651       71.96720 563.1865       
103.5943 520.2373       100.0521 51.63748 4.778503 49.62797 4.801983 2.009510 
6.774447 
1 1 1 -12 -4  16 o 87.86556 2.854181  1628.213       103.5851 1625.656       
161.5849 1629.996       134.9653 87.77204 4.384961 87.95908 3.654792 
-0.1870422     5.708361 
1 1 1 -12 -4  17 o 61.84473 3.219370  802.4778       82.72821 840.6514       
127.6553 774.8371       108.6256 63.08417 4.819918 60.60530 4.269164 2.478867 
6.438740 
1 1 1 -12 -4  18 o 37.97343 4.736061  332.3267       70.43628 469.3907       
97.51852 182.8275       101.8462 47.12033 4.929466 28.82653 8.088353 18.29380 
9.472121 
1 1 1 -12 -4  19 f 151.1219 3.815928  4837.525       241.8520 4723.826       
333.0464 4964.377       351.7830 149.2687 5.314436 152.9751 5.477408 -3.706406 
7.631856 
1 1 1 -12 -4  20 o 101.0353 3.150680  2162.370       133.5606 2178.251       
185.9888 2145.460       191.9171 101.4358 4.367335 100.6348 4.542413 0.8010559 
6.301360 
1 1 1 -12 -4  21 o 93.17203 3.028093  1850.095       117.8221 1697.143       
170.5513 1989.734       162.9591 89.41093 4.543447 96.93311 4.004307 -7.522179 
6.056186 
1 1 1 -12 -4  22 o 59.98595 3.382671  765.1312       84.99575 789.2415       
125.2225 744.5339       115.7409 60.83805 4.902619 59.13387 4.661994 1.704182 
6.765343 
1 1 1 -12 -4  23 o 66.09843 3.184568  918.9686       87.14277 1010.361       
137.4031 857.4736       112.7101 68.74519 4.760748 63.45168 4.230977 5.293503 
6.369136 
1 1 1 -12 -4  24 o 81.04636 3.096504  1407.354       105.2469 1344.000       
149.6669 1469.329       148.0297 79.19593 4.501363 82.89677 4.253362 -3.700844 
6.193009 
1 1 1 -12 -4  25 o 81.06796 3.086544  1401.488       104.4069 1516.073       
158.6302 1313.913       138.6800 83.90545 4.503152 78.23046 4.222397 5.674988 
6.173089 
1 1 1 -12 -4  26 o 15.88400 5.060940  -38.47416      71.06738 -9.634552      
105.8082 -62.17818      95.92586 17.22515 7.577124 14.54285 6.711158 2.682305 
10.12188 
1 1 1 -12 -4  27 o 53.29304 3.742157  629.8812       82.62504 609.4478       
126.1076 645.2507       109.3705 52.29734 5.743582 54.28874 4.798566 -1.991405 
7.484314 
1 1 1 -12 -4  28 o 25.33720 6.244298  155.0212       81.92907 130.4525       
125.3738 173.3324       108.2365 24.19281 9.096530 26.48158 8.556764 -2.288773 
12.48860 
1 1 1 -12 -4  29 o 22.78180 6.108047  107.9883       79.60745 161.4400       
126.4695 72.91164       102.4505 25.46932 9.200671 20.09427 8.036205 5.375051 
12.21609 
1 1 1 -12 -4  30 o 23.37988 6.060553  110.2988       83.94881 235.7583       
128.1362 15.95254       111.1174 29.07698 9.301687 17.68277 7.771732 11.39422 
12.12111 
1 1 1 -12 -4  31 o 27.58827 5.873186  214.8168       86.14214 341.7970       
118.0797 70.35192       125.9473 35.35346 8.121558 19.82307 8.486314 15.53039 
11.74637 
1 1 1 -12 -3  1  o 262.9600 3.534222  14576.33       375.2323 14681.53       
471.0223 14393.60       620.7708 264.3172 4.244602 261.6028 5.652101 2.714417 
7.068443 
1 1 1 -12 -3  2  o 189.9325 3.513030  7599.939       275.0541 7499.622       
430.5630 7669.104       357.5136 188.8433 5.430705 191.0216 4.457909 -2.178314 
7.026059 
1 1 1 -12 -3  3  o 139.5773 2.531839  4104.284       133.9037 4066.354       
250.3445 4119.483       158.4792 139.0999 4.286791 140.0547 2.695229 
-0.9547577     5.063678 
1 1 1 -12 -3  4  o 360.6443 6.556641  26445.09       515.1425 28665.81       
1946.283 26277.79       534.1938 367.6285 12.61008 353.6601 3.597774 13.96835 
13.11328 
1 1 1 -12 -3  5  o 508.0025 12.15627  55219.37       2390.043 55421.80       
4311.262 55129.55       2871.720 506.6955 20.26649 509.3095 13.43016 -2.614044 
24.31254 
1 1 1 -12 -3  6  o 290.1525 7.743629  17413.16       726.5971 18492.61       
1728.799 17181.57       800.7552 294.6835 13.97365 285.6214 6.677748 9.062042 
15.48726 
1 1 1 -12 -3  7  o 128.3144 3.880237  3236.309       172.5526 3877.454       
385.3866 3075.552       192.9764 135.6573 6.766661 120.9714 3.799641 14.68594 
7.760475 
1 1 1 -12 -3  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -3  9  o 63.06007 4.000224  836.1213       105.9053 0.000000       
0.000000 836.1213       105.9053 ?        ?        63.06007 4.000224 ? ? 
1 1 1 -12 -3  10 o 177.9099 2.428129  6653.296       150.9311 6653.981       
319.6971 6653.099       171.2128 177.8472 4.281665 177.9725 2.291417 
-0.1253357     4.856258 
1 1 1 -12 -3  11 o 93.47369 2.009717  1841.814       77.53488 1804.726       
120.6700 1867.892       101.1868 92.65979 3.101908 94.28758 2.556174 -1.627792 
4.019435 
1 1 1 -12 -3  12 o 51.69254 2.486438  554.3560       53.29681 609.8203       
83.53259 516.2742       69.21606 53.83785 3.695637 49.54724 3.327427 4.290611 
4.972877 
1 1 1 -12 -3  13 o 127.5279 2.896611  3264.528       129.1588 3719.471       
281.7632 3143.502       145.3265 132.7797 5.054448 122.2761 2.830899 10.50356 
5.793223 
1 1 1 -12 -3  14 o 157.4828 4.483420  5356.470       276.9002 4958.912       
477.7487 5557.579       339.7943 152.7205 7.451148 162.2452 4.988447 -9.524673 
8.966840 
1 1 1 -12 -3  15 o 99.73094 4.422932  2098.633       185.1907 2098.633       
185.1907 0.000000       0.000000 99.73094 4.422932 ?        ?        ? ? 
1 1 1 -12 -3  16 o 102.7201 3.173031  2232.169       136.2325 2169.226       
200.7361 2285.915       185.4896 101.3448 4.717857 104.0954 4.244328 -2.750557 
6.346062 
1 1 1 -12 -3  17 o 134.5702 3.326852  3804.068       183.7538 3918.232       
294.3972 3731.204       235.1931 136.1364 5.150868 133.0040 4.211927 3.132385 
6.653704 
1 1 1 -12 -3  18 o 134.6324 3.262523  3825.638       184.2836 3774.573       
255.2568 3881.230       266.3284 133.7060 4.547235 135.5588 4.679623 -1.852753 
6.525045 
1 1 1 -12 -3  19 o 122.4525 3.054341  3164.183       155.0419 3150.772       
203.5510 3182.715       239.2821 122.2014 3.967511 122.7036 4.644874 
-0.5022202     6.108682 
1 1 1 -12 -3  20 o 26.97371 5.895208  157.9012       75.91531 99.86126       
115.1362 202.5405       100.9735 23.82024 8.761566 30.12718 7.889795 -6.306940 
11.79042 
1 1 1 -12 -3  21 o 44.17154 3.952763  417.1748       72.69761 485.3770       
104.0229 352.0636       101.6384 47.75785 5.188064 40.58523 5.965009 7.172619 
7.905526 
1 1 1 -12 -3  22 o 24.76704 6.068842  120.5576       76.51414 148.0531       
118.0003 100.6100       100.5072 26.56572 8.938373 22.96836 8.211508 3.597361 
12.13768 
1 1 1 -12 -3  23 o 36.49965 4.807041  296.1570       70.72933 318.2278       
105.2937 278.0094       95.47787 37.72589 6.904932 35.27340 6.689729 2.452492 
9.614081 
1 1 1 -12 -3  24 o 80.01187 3.166775  1362.622       105.9538 1441.970       
158.5635 1298.612       142.4162 82.06437 4.602244 77.95938 4.351232 4.104988 
6.333551 
1 1 1 -12 -3  25 o 77.58700 3.050187  1295.279       98.96774 1238.084       
144.4237 1345.913       135.8889 75.88004 4.533482 79.29395 4.081925 -3.413910 
6.100375 
1 1 1 -12 -3  26 o 52.85230 3.822657  614.2930       84.24170 540.6066       
120.0505 685.7757       118.2416 49.56435 5.769198 56.14025 5.016689 -6.575901 
7.645313 
1 1 1 -12 -3  27 o 64.73396 3.556871  925.6941       95.61961 856.0496       
142.4759 982.7711       128.9819 62.26222 5.450519 67.20570 4.571342 -4.943481 
7.113742 
1 1 1 -12 -3  28 o 35.91296 5.661794  309.5752       82.56821 366.9550       
128.0699 268.7602       108.0134 38.68934 8.141149 33.13659 7.870536 5.552757 
11.32359 
1 1 1 -12 -3  29 o 14.15521 4.716647  -96.34019      74.70940 -169.4675      
114.3226 -41.83281      98.70061 13.19348 6.425564 15.11695 6.906458 -1.923465 
9.433294 
1 1 1 -12 -3  30 o 66.51284 3.735588  1013.750       102.4149 944.0855       
156.6161 1065.795       135.3690 63.94532 5.833762 69.08036 4.667513 -5.135044 
7.471175 
1 1 1 -12 -3  31 f 71.76250 3.560368  1191.882       106.5252 1063.623       
152.5021 1314.093       148.8627 67.52239 5.379587 76.00260 4.665289 -8.480209 
7.120736 
1 1 1 -12 -2  1  o 103.8662 3.973598  2253.961       171.3922 2172.671       
224.5820 2367.337       265.2274 101.6505 5.262430 106.0818 5.955228 -4.431297 
7.947196 
1 1 1 -12 -2  2  o 166.1484 4.847752  5783.525       334.0944 5637.415       
437.2523 5988.483       517.8752 163.6724 6.363233 168.6244 7.315193 -4.952011 
9.695503 
1 1 1 -12 -2  3  o 299.5001 6.621045  19143.26       775.4598 18347.17       
1358.942 19527.65       944.2964 294.5216 10.99018 304.4786 7.387077 -9.957031 
13.24209 
1 1 1 -12 -2  4  o 112.3388 3.191936  2690.321       148.3111 2357.256       
220.5121 2965.437       200.4128 105.8843 4.960460 118.7933 4.018414 -12.90897 
6.383872 
1 1 1 -12 -2  5  o 387.9450 9.591461  31671.17       1250.540 32527.50       
2804.296 31458.61       1397.151 389.7491 17.13798 386.1409 8.618240 3.608215 
19.18292 
1 1 1 -12 -2  6  o 132.8076 4.969647  3709.167       277.0941 0.000000       
0.000000 3709.167       277.0941 ?        ?        132.8076 4.969647 ? ? 
1 1 1 -12 -2  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -2  8  f 75.87198 3.166440  1204.314       75.25286 1219.906       
184.6059 1201.206       82.41087 76.12065 5.776490 75.62331 2.595673 0.4973450 
6.332879 
1 1 1 -12 -2  9  o 120.4829 2.255238  2886.189       94.42619 3346.860       
208.6633 2767.558       105.8887 126.1715 3.939179 114.7943 2.197102 11.37724 
4.510476 
1 1 1 -12 -2  10 o 28.88565 4.553112  173.0006       51.75063 220.0350       
89.39709 149.2951       63.46584 31.67199 6.914207 26.09931 5.925965 5.572678 
9.106224 
1 1 1 -12 -2  11 o 113.3544 1.949749  2731.914       90.24915 2554.791       
142.9877 2849.198       116.3534 110.2498 3.089172 116.4591 2.379725 -6.209290 
3.899497 
1 1 1 -12 -2  12 o 133.5374 2.240316  3663.451       112.6987 3943.369       
216.9940 3560.058       131.8803 136.9063 3.775245 130.1684 2.413212 6.737976 
4.480632 
1 1 1 -12 -2  13 o 61.39767 2.359530  791.0104       58.77537 800.5417       
96.71249 785.4286       74.01122 61.67411 3.735087 61.12123 2.884208 0.5528870 
4.719060 
1 1 1 -12 -2  14 o 187.9805 3.043736  7367.212       203.9411 7602.093       
422.9114 7296.041       232.7977 189.7118 5.309774 186.2493 2.977181 3.462555 
6.087471 
1 1 1 -12 -2  15 o 120.1739 3.300452  3049.018       166.4663 2961.790       
235.4439 3136.208       235.3938 118.4453 4.734682 121.9025 4.599427 -3.457191 
6.600904 
1 1 1 -12 -2  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -2  17 o 77.42322 2.929408  1267.417       94.81279 1224.213       
139.3055 1304.701       129.4116 76.17199 4.356061 78.67445 3.917965 -2.502457 
5.858815 
1 1 1 -12 -2  18 o 57.32911 3.491858  693.1993       83.67767 607.6835       
115.6496 787.1564       121.2233 53.60976 5.138322 61.04847 4.729686 -7.438713 
6.983716 
1 1 1 -12 -2  19 o 198.7487 4.504689  8389.998       375.5816 8272.451       
519.4408 8518.777       543.6941 197.3291 6.269978 200.1684 6.469643 -2.839249 
9.009378 
1 1 1 -12 -2  20 o 110.6310 3.159078  2586.049       146.5788 2646.701       
213.0685 2531.553       201.9644 111.8480 4.537452 109.4140 4.396661 2.434029 
6.318156 
1 1 1 -12 -2  21 o 196.1259 4.382344  8222.405       360.8251 8132.006       
507.1463 8315.076       513.4801 195.0367 6.193528 197.2151 6.201609 -2.178497 
8.764688 
1 1 1 -12 -2  22 o 25.40668 5.564294  112.8133       75.62402 246.3732       
111.1617 -2.256915      103.1807 33.00161 8.077509 17.81176 7.655019 15.18986 
11.12859 
1 1 1 -12 -2  23 o 98.93883 3.054713  2084.683       125.9491 2056.683       
189.2523 2106.943       168.7444 98.26001 4.587599 99.61765 4.034727 -1.357635 
6.109426 
1 1 1 -12 -2  24 o 102.3870 2.934120  2233.740       126.1190 2203.223       
177.8095 2264.638       178.9140 101.6774 4.165351 103.0966 4.133532 -1.419151 
5.868240 
1 1 1 -12 -2  25 o 135.6597 3.210325  3939.382       182.4578 4125.745       
268.8380 3780.231       248.4365 138.5712 4.621029 132.7481 4.457672 5.823151 
6.420650 
1 1 1 -12 -2  26 o 58.05241 3.608854  728.5156       87.49089 770.0367       
131.9594 695.9464       116.8716 59.44772 5.287203 56.65709 4.913327 2.790630 
7.217707 
1 1 1 -12 -2  27 o 76.44654 3.193600  1280.697       101.1032 1170.625       
151.7459 1368.564       135.5791 73.22087 4.936316 79.67221 4.053282 -6.451340 
6.387199 
1 1 1 -12 -2  28 o 47.52172 4.209527  508.8954       83.58490 480.5377       
121.7696 534.1612       114.9396 46.08291 6.293905 48.96054 5.591710 -2.877628 
8.419054 
1 1 1 -12 -2  29 o 29.39881 5.812963  225.0813       80.08585 123.4773       
122.8859 300.0953       105.5888 23.65219 8.975191 35.14543 7.389728 -11.49324 
11.62593 
1 1 1 -12 -2  30 o 54.68595 3.880877  675.5770       88.62817 718.2142       
133.7319 642.1833       118.3511 56.06623 5.681391 53.30567 5.288347 2.760559 
7.761754 
1 1 1 -12 -2  31 o 50.23495 4.565857  608.0521       95.95571 634.8677       
132.8503 578.8040       138.7453 51.72174 6.118012 48.74817 6.779243 2.973579 
9.131715 
1 1 1 -12 -2  32 o 48.62301 5.278285  608.3587       107.2064 690.1594       
160.9464 543.1180       143.7348 51.57064 7.433612 45.67538 7.495504 5.895260 
10.55657 
1 1 1 -12 -1  1  o 658.8187 17.15882  94342.93       4742.814 95345.51       
6848.858 93419.12       6574.271 661.8179 24.64908 655.8195 23.87725 5.998413 
34.31764 
1 1 1 -12 -1  2  o 390.9689 13.17317  32701.38       2146.756 33390.13       
3249.475 32167.96       2859.686 394.1578 19.63650 387.7799 17.56524 6.377899 
26.34634 
1 1 1 -12 -1  3  o 271.3899 7.234193  15503.05       819.0817 16080.44       
1238.701 15054.45       1091.859 275.7794 10.69857 267.0004 9.740373 8.778992 
14.46839 
1 1 1 -12 -1  4  o 150.2169 7.147644  4752.597       450.7758 0.000000       
0.000000 4752.597       450.7758 ?        ?        150.2169 7.147644 ? ? 
1 1 1 -12 -1  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 -1  6  f 366.8944 8.846045  28417.86       1362.602 0.000000       
0.000000 28417.86       1362.602 ?        ?        366.8944 8.846045 ? ? 
1 1 1 -12 -1  7  o 174.3469 4.059525  6404.648       178.7332 6388.235       
562.7297 6406.489       188.4936 174.0422 7.701342 174.6516 2.570662 
-0.6094360     8.119050 
1 1 1 -12 -1  8  o 295.1807 5.343932  18042.22       493.5058 18894.66       
1221.418 17875.91       539.5040 298.7906 9.736850 291.5709 4.407290 7.219727 
10.68786 
1 1 1 -12 -1  9  o 98.38732 2.466659  1998.765       91.93916 2117.020       
174.7456 1953.501       108.1124 100.3403 4.148128 96.43438 2.670329 3.905884 
4.933318 
1 1 1 -12 -1  10 o 133.5511 2.251252  3738.239       117.6409 3775.931       
208.8602 3720.725       142.3732 134.0159 3.712107 133.0862 2.548099 0.9296417 
4.502505 
1 1 1 -12 -1  11 o 101.2099 1.959643  2179.647       80.84370 2032.207       
128.5818 2276.033       103.9629 98.33045 3.114674 104.0894 2.378992 -5.758911 
3.919285 
1 1 1 -12 -1  12 o 189.1679 2.674930  7478.089       193.3970 7648.975       
359.1179 7408.285       229.5229 190.5965 4.487900 187.7393 2.912003 2.857162 
5.349861 
1 1 1 -12 -1  13 o 55.63158 2.517967  660.2446       57.26259 607.9868       
90.01182 695.7722       74.21750 53.74039 3.989512 57.52278 3.073177 -3.782394 
5.035933 
1 1 1 -12 -1  14 o 52.29599 2.511678  570.0643       54.47606 610.2409       
85.00116 542.0601       70.96602 53.83604 3.760736 50.75595 3.330309 3.080090 
5.023355 
1 1 1 -12 -1  15 o 158.5814 2.544545  5315.889       156.3983 5243.618       
280.7926 5348.394       188.3136 157.6986 4.241103 159.4641 2.812806 -1.765549 
5.089089 
1 1 1 -12 -1  16 o 129.2962 3.138923  3396.808       133.1714 3742.101       
313.9553 3321.052       147.0562 132.9447 5.624938 125.6477 2.787725 7.297043 
6.277846 
1 1 1 -12 -1  17 o 108.3398 3.965679  2474.422       180.3784 0.000000       
0.000000 2474.422       180.3784 ?        ?        108.3398 3.965679 ? ? 
1 1 1 -12 -1  18 o 107.8310 3.233675  2452.751       145.5011 2472.218       
218.5229 2437.246       195.0167 108.1825 4.811284 107.4795 4.321826 0.7030029 
6.467351 
1 1 1 -12 -1  19 o 110.2709 3.323672  2569.192       153.8685 2581.313       
217.2982 2557.004       217.9089 110.5345 4.682518 110.0074 4.718178 0.5271225 
6.647344 
1 1 1 -12 -1  20 o 96.52501 3.118325  1973.732       126.0777 1846.622       
179.9966 2096.163       176.6520 93.43983 4.588316 99.61018 4.224117 -6.170357 
6.236650 
1 1 1 -12 -1  21 o 83.63750 3.003065  1474.346       105.2339 1588.140       
154.7270 1376.403       143.5475 86.62696 4.254358 80.64804 4.239579 5.978920 
6.006130 
1 1 1 -12 -1  22 o 158.1815 3.676051  5332.977       243.9307 5391.913       
339.3920 5270.001       350.8325 159.1384 5.079813 157.2245 5.314969 1.913925 
7.352101 
1 1 1 -12 -1  23 o 152.2999 3.740201  4982.481       233.1785 4850.163       
370.7375 5069.084       299.9316 150.2950 5.875473 154.3047 4.629821 -4.009628 
7.480403 
1 1 1 -12 -1  24 o 38.47303 4.752196  330.0569       74.30679 286.5315       
107.2700 370.2092       103.0296 35.54227 7.429863 41.40380 5.927108 -5.861534 
9.504393 
1 1 1 -12 -1  25 o 74.30376 3.155412  1179.998       98.15697 1062.074       
135.5919 1309.841       142.2792 70.36916 4.589576 78.23837 4.331545 -7.869209 
6.310823 
1 1 1 -12 -1  26 o 66.03310 3.269990  925.7379       89.30261 1023.898       
141.4126 860.6255       115.1738 68.79276 4.896281 63.27344 4.335641 5.519321 
6.539981 
1 1 1 -12 -1  27 o 52.34010 4.106352  620.2113       87.35924 465.7886       
126.6230 760.4791       120.6803 45.57253 6.618060 59.10765 4.863106 -13.53512 
8.212705 
1 1 1 -12 -1  28 o 55.66292 3.942195  720.4341       87.07909 506.0024       
130.4304 892.8733       116.9641 47.22719 6.578212 64.09865 4.346349 -16.87146 
7.884391 
1 1 1 -12 -1  29 o 17.73187 5.417591  10.74518       72.75352 39.90637       
114.2191 -9.163715      94.37562 19.41531 8.186790 16.04843 7.097721 3.366880 
10.83518 
1 1 1 -12 -1  30 o 28.71948 5.641440  170.3407       80.87630 386.1626       
130.2866 35.03907       103.1581 39.12257 8.195704 18.31638 7.754599 20.80619 
11.28288 
1 1 1 -12 -1  31 o 66.59991 4.123962  1011.341       113.9830 1178.630       
178.4995 896.1612       148.1124 70.97625 5.990252 62.22357 5.669668 8.752682 
8.247924 
1 1 1 -12 -1  32 o 35.89657 6.172709  370.5092       92.47502 325.9948       
139.3623 405.5288       123.6091 32.82217 9.544271 38.97096 7.830471 -6.148785 
12.34542 
1 1 1 -12 0   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 0   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 0   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 0   4  o 261.3672 9.064933  14417.67       994.7058 0.000000       
0.000000 14417.67       994.7058 ?        ?        261.3672 9.064933 ? ? 
1 1 1 -12 0   5  o 144.5538 3.564475  4460.632       204.2517 4187.070       
346.7820 4605.944       252.7432 141.0647 5.855433 148.0430 4.066425 -6.978210 
7.128949 
1 1 1 -12 0   6  o 135.6683 3.924487  3539.460       122.4343 4287.483       
448.3238 3479.177       127.2723 142.6227 7.487282 128.7140 2.355207 13.90871 
7.848974 
1 1 1 -12 0   7  o 237.3838 6.440060  11926.53       456.0524 11877.33       
1181.200 11935.15       494.3871 236.5514 11.89375 238.2162 4.943300 -1.664780 
12.88012 
1 1 1 -12 0   8  o 185.1617 3.538254  7164.280       244.8054 7318.727       
471.6706 7107.336       286.4014 186.4281 6.026268 183.8952 3.709590 2.532974 
7.076508 
1 1 1 -12 0   9  o 374.4815 6.248266  29258.11       787.9518 30339.74       
1768.499 28990.21       880.1395 377.9127 11.14639 371.0504 5.649887 6.862335 
12.49653 
1 1 1 -12 0   10 o 86.34930 2.190510  1563.152       74.71093 1577.700       
130.2343 1556.016       91.21216 86.63280 3.580668 86.06582 2.524312 0.5669785 
4.381020 
1 1 1 -12 0   11 o 104.1471 1.972722  2301.108       82.52519 2202.083       
136.9927 2357.512       103.3904 102.3558 3.187911 105.9384 2.324598 -3.582664 
3.945444 
1 1 1 -12 0   12 o 168.8180 2.390172  5826.899       146.3255 6323.251       
299.5349 5671.322       167.6969 173.3401 4.115944 164.2959 2.431193 9.044174 
4.780345 
1 1 1 -12 0   13 o 279.2127 3.448751  16342.03       387.5167 16754.07       
651.7847 16116.74       481.9495 281.7589 5.509950 276.6665 4.149215 5.092346 
6.897501 
1 1 1 -12 0   14 f 348.9503 3.901430  25497.05       384.8328 26028.88       
1069.406 25417.94       412.4648 350.2150 7.273254 347.6855 2.825670 2.529572 
7.802861 
1 1 1 -12 0   15 o 200.3242 3.206458  8336.487       234.7548 8730.151       
470.7429 8206.178       270.8354 203.1853 5.518391 197.4631 3.266935 5.722214 
6.412917 
1 1 1 -12 0   16 o 127.9735 2.176100  3499.753       110.9484 3273.060       
186.2159 3624.514       138.1452 124.6563 3.558144 131.2906 2.506243 -6.634361 
4.352200 
1 1 1 -12 0   17 o 73.89629 2.283767  1155.620       69.81104 1112.184       
107.2762 1187.527       91.94331 72.66601 3.516358 75.12656 2.915061 -2.460556 
4.567533 
1 1 1 -12 0   18 o 202.7960 4.064705  8697.019       343.1994 8811.866       
521.4264 8609.237       455.8677 203.8649 6.092165 201.7272 5.382642 2.137741 
8.129410 
1 1 1 -12 0   19 o 64.39426 4.894843  876.4398       132.3320 876.4398       
132.3320 0.000000       0.000000 64.39426 4.894843 ?        ?        ? ? 
1 1 1 -12 0   20 o 37.03530 5.285799  303.9787       79.37392 286.4555       
113.1853 320.9354       111.3408 35.90393 7.729992 38.16666 7.211511 -2.262726 
10.57160 
1 1 1 -12 0   21 o 145.3221 3.371994  4437.584       204.1075 4774.740       
312.8433 4187.707       269.3239 150.0271 4.966816 140.6171 4.562027 9.410049 
6.743987 
1 1 1 -12 0   22 o 43.87622 4.647543  425.6844       81.91566 366.3830       
121.8940 474.5216       110.6177 40.59573 7.428370 47.15670 5.587302 -6.560974 
9.295086 
1 1 1 -12 0   23 o 44.43958 4.105366  420.2474       75.96030 502.8578       
112.3022 350.5789       103.1310 48.48077 5.517468 40.39839 6.080596 8.082378 
8.210732 
1 1 1 -12 0   24 o 59.96621 3.564319  779.5930       88.05488 708.9459       
134.4643 832.6357       116.5128 57.42725 5.577121 62.50518 4.439955 -5.077927 
7.128638 
1 1 1 -12 0   25 o 133.2530 3.259553  3809.116       182.0837 3692.775       
262.0520 3917.718       253.1873 131.1953 4.757626 135.3108 4.456877 -4.115494 
6.519107 
1 1 1 -12 0   26 o 45.29920 4.559790  456.1525       84.61854 433.3830       
132.9499 471.6570       109.7087 44.07884 7.184207 46.51955 5.617288 -2.440712 
9.119580 
1 1 1 -12 0   27 f 26.24565 5.916036  161.4266       74.05209 135.7812       
112.8949 180.7934       98.10636 24.83640 8.720427 27.65491 7.997004 -2.818512 
11.83207 
1 1 1 -12 0   28 o 19.40241 5.607478  48.82385       72.66563 19.53652       
113.8905 68.93185       94.36961 18.82004 8.063834 19.98478 7.794218 -1.164740 
11.21496 
1 1 1 -12 0   29 o 37.47399 5.551982  339.5000       84.55231 399.3737       
124.6530 288.4775       115.0710 40.77043 7.566037 34.17755 8.127306 6.592884 
11.10396 
1 1 1 -12 0   30 o 79.51122 3.482104  1400.574       115.8698 1490.027       
172.4282 1326.920       156.4621 81.72116 5.025680 77.30127 4.821072 4.419891 
6.964208 
1 1 1 -12 0   31 o 27.83054 6.614370  208.8913       90.50044 226.5670       
139.6132 196.0815       118.8527 28.57250 9.722548 27.08858 8.970597 1.483925 
13.22874 
1 1 1 -12 0   32 f 38.01841 6.250019  419.4698       103.2075 285.9052       
152.1433 533.3240       140.4694 30.18177 10.14947 45.85504 7.296521 -15.67326 
12.50004 
1 1 1 -12 1   1  o 308.0421 10.67300  20061.60       1380.306 20061.60       
1380.306 0.000000       0.000000 308.0421 10.67300 ?        ?        ? ? 
1 1 1 -12 1   2  o 211.9245 5.264142  9456.090       468.2453 9220.084       
653.4752 9705.134       671.2815 209.2087 7.439956 214.6403 7.449284 -5.431534 
10.52828 
1 1 1 -12 1   3  o 466.3366 10.96939  46265.50       2071.558 46744.93       
3418.848 45987.38       2604.018 467.3006 17.42628 465.3726 13.32798 1.927979 
21.93878 
1 1 1 -12 1   4  o 236.5403 5.702720  11518.50       479.3118 12322.38       
1007.054 11283.06       545.0008 241.4845 9.933097 231.5962 5.605145 9.888321 
11.40544 
1 1 1 -12 1   5  o 57.83395 3.941174  689.0404       89.95300 746.0830       
159.6140 662.4910       108.8926 59.53194 6.386194 56.13597 4.620383 3.395969 
7.882349 
1 1 1 -12 1   6  o 115.4541 2.971995  2580.415       113.8152 3173.011       
271.3739 2453.928       125.3748 122.8188 5.262888 108.0895 2.762791 14.72937 
5.943989 
1 1 1 -12 1   7  o 228.6992 5.061061  10577.26       334.9703 11654.02       
922.9489 10413.91       359.4817 234.7982 9.362762 222.6001 3.846560 12.19807 
10.12212 
1 1 1 -12 1   8  o 266.8364 5.065911  14619.41       455.9156 15682.94       
1030.266 14360.43       508.4046 272.3656 9.009860 261.3073 4.634246 11.05832 
10.13182 
1 1 1 -12 1   9  o 197.3689 3.176450  8177.919       222.2537 8221.999       
461.7191 8164.625       253.5631 197.6111 5.565286 197.1267 3.063808 0.4843750 
6.352899 
1 1 1 -12 1   10 o 80.67651 2.301938  1369.492       75.51137 1361.394       
123.0379 1374.385       95.64208 80.47316 3.641740 80.87985 2.816629 
-0.4066925     4.603876 
1 1 1 -12 1   11 o 147.9325 2.366908  4642.692       143.4742 4396.109       
225.9927 4809.180       185.6971 144.5869 3.722944 151.2781 2.923816 -6.691208 
4.733816 
1 1 1 -12 1   12 o 63.60561 2.279686  841.0701       59.89837 901.9708       
94.84937 800.6713       77.25159 65.49236 3.449569 61.71887 2.981333 3.773495 
4.559372 
1 1 1 -12 1   13 o 102.5297 2.131405  2196.687       89.94584 2277.431       
143.1563 2144.020       115.6165 104.0622 3.276712 100.9972 2.726665 3.065010 
4.262809 
1 1 1 -12 1   14 o 85.45596 2.083029  1548.383       73.63549 1454.083       
112.3040 1619.497       97.52544 83.14017 3.217402 87.77175 2.646575 -4.631584 
4.166058 
1 1 1 -12 1   15 o 87.20847 2.107080  1558.078       74.56544 1759.353       
125.4121 1448.020       92.73746 91.43250 3.267082 82.98443 2.661826 8.448067 
4.214159 
1 1 1 -12 1   16 f 212.6052 3.575407  9566.848       308.4713 9499.142       
504.6948 9607.224       389.7430 211.8168 5.675308 213.3936 4.350288 -1.576721 
7.150813 
1 1 1 -12 1   17 o 151.7866 2.511342  4848.581       146.1139 4864.129       
268.6328 4842.049       174.1236 151.8525 4.213648 151.7207 2.733592 0.1317444 
5.022685 
1 1 1 -12 1   18 o 86.57285 2.299870  1550.144       81.06078 1688.437       
134.3331 1470.952       101.6544 89.53063 3.573817 83.61505 2.895763 5.915581 
4.599741 
1 1 1 -12 1   19 o 104.1031 3.029550  2288.294       132.3054 2238.012       
189.5734 2336.044       184.7365 102.9747 4.384985 105.2316 4.181457 -2.256920 
6.059099 
1 1 1 -12 1   20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 1   21 o 43.32484 4.780368  428.8998       79.93534 265.9902       
115.7051 577.6475       110.5615 34.46418 8.120484 52.18550 5.046326 -17.72131 
9.560736 
1 1 1 -12 1   22 o 183.3762 3.908238  7170.074       299.7281 7184.499       
406.7760 7152.939       443.3394 183.7036 5.274225 183.0487 5.768868 0.6549072 
7.816475 
1 1 1 -12 1   23 o 94.48586 3.002068  1893.859       118.8241 1906.562       
174.1718 1882.798       162.5180 94.74947 4.378469 94.22224 4.108365 0.5272217 
6.004137 
1 1 1 -12 1   24 o 125.7513 3.517025  3365.152       183.5103 3478.046       
283.8629 3284.093       240.5320 127.3986 5.307194 124.1041 4.616445 3.294487 
7.034051 
1 1 1 -12 1   25 o 73.51447 3.179146  1153.623       97.31747 1172.124       
147.8325 1139.474       129.2810 73.95148 4.761503 73.07746 4.213783 0.8740158 
6.358293 
1 1 1 -12 1   26 o 47.28315 4.176469  474.0078       81.24512 631.5303       
126.3599 362.9930       106.0787 53.88285 5.585728 40.68344 6.210572 13.19941 
8.352938 
1 1 1 -12 1   27 o 73.60161 3.149836  1173.786       94.95560 1146.980       
150.7840 1191.403       122.2393 72.66965 4.942233 74.53357 3.906429 -1.863914 
6.299671 
1 1 1 -12 1   28 o 25.82823 6.274425  147.1716       80.28883 192.2996       
132.0555 120.7071       101.1268 28.24681 9.455733 23.40966 8.250013 4.837151 
12.54885 
1 1 1 -12 1   29 o 16.91609 5.082135  -29.48736      74.05109 -193.3855      
115.3887 85.28049       96.55760 12.95571 6.338380 20.87648 7.945900 -7.920768 
10.16427 
1 1 1 -12 1   30 o 38.66447 6.142950  396.0983       98.66491 287.8775       
156.2159 467.9186       127.2603 32.50190 10.25763 44.82705 6.761981 -12.32515 
12.28590 
1 1 1 -12 1   31 o 33.50334 6.496536  296.2656       92.89490 347.3803       
146.2717 261.7133       120.2612 35.60115 9.575965 31.40552 8.781846 4.195631 
12.99307 
1 1 1 -12 1   32 o 25.78878 6.601893  185.1403       91.11222 213.8792       
141.3490 164.7111       119.1745 27.00708 9.729765 24.57049 8.925897 2.436583 
13.20379 
1 1 1 -12 1   33 o 18.91935 5.918574  42.04359       92.14104 55.57641       
139.2375 31.50014       122.9005 19.64264 8.662727 18.19606 8.066923 1.446579 
11.83715 
1 1 1 -12 2   1  o 475.1872 13.93050  48755.38       2730.033 49530.73       
3562.186 47651.75       4249.921 480.9336 17.64219 469.4408 21.56359 11.49277 
27.86100 
1 1 1 -12 2   2  o 317.7565 7.251575  20997.04       878.2361 22165.10       
1649.821 20535.18       1037.440 323.3838 12.15177 312.1291 7.916800 11.25467 
14.50315 
1 1 1 -12 2   3  o 309.7941 8.405317  20311.24       933.4320 20385.66       
1904.625 20287.72       1070.850 309.4101 14.66210 310.1782 8.223159 
-0.7680359     16.81063 
1 1 1 -12 2   4  o 412.6936 11.36568  36454.64       1428.607 36285.72       
3595.740 36486.30       1556.749 409.6199 20.90876 415.7673 8.918448 -6.147369 
22.73136 
1 1 1 -12 2   5  o 90.17921 3.334369  1763.065       120.0519 1522.070       
195.7216 1908.427       152.0053 85.05960 5.480705 95.29883 3.799201 -10.23923 
6.668737 
1 1 1 -12 2   6  o 264.0928 5.409815  14532.13       428.8503 14957.19       
1112.226 14457.89       464.7901 265.9253 9.962184 262.2603 4.221292 3.664978 
10.81963 
1 1 1 -12 2   7  o 300.2927 8.269320  18948.21       734.7780 19418.27       
1932.995 18868.82       794.4099 301.2655 15.28278 299.3198 6.321648 1.945709 
16.53864 
1 1 1 -12 2   8  o 43.81271 3.511617  395.3149       60.65258 428.3961       
107.8694 380.0208       73.34506 45.10954 5.695750 42.51588 4.109045 2.593662 
7.023234 
1 1 1 -12 2   9  o 74.93480 2.321083  1178.057       68.41817 1185.527       
120.1368 1174.472       83.23481 75.09644 3.810463 74.77317 2.651431 0.3232651 
4.642167 
1 1 1 -12 2   10 o 57.92247 2.680007  712.1362       62.40663 681.5330       
103.3913 729.6761       78.27345 56.92014 4.326523 58.92481 3.164006 -2.004677 
5.360013 
1 1 1 -12 2   11 o 141.9983 2.317721  4241.435       134.0333 4226.363       
217.6355 4250.644       170.1245 141.7711 3.656481 142.2255 2.849118 
-0.4544067     4.635442 
1 1 1 -12 2   12 o 227.4839 3.260999  10906.48       272.0961 10878.48       
536.3580 10916.18       315.7418 227.1123 5.625164 227.8556 3.300604 
-0.7432404     6.521998 
1 1 1 -12 2   13 o 114.9272 2.161085  2743.369       99.95065 2894.174       
169.2481 2662.608       123.8552 117.2983 3.436793 112.5562 2.620993 4.742050 
4.322170 
1 1 1 -12 2   14 o 64.11639 2.284772  855.4471       60.37659 912.3981       
96.23056 818.4738       77.53668 65.84636 3.480986 62.38643 2.960316 3.459927 
4.569545 
1 1 1 -12 2   15 o 56.39017 2.498071  666.1087       58.22175 688.2794       
91.36475 650.9500       75.54780 57.16282 3.807028 55.61751 3.235425 1.545311 
4.996142 
1 1 1 -12 2   16 o 93.62856 2.120795  1875.151       80.87460 1707.886       
127.9385 1986.474       104.3736 90.06295 3.383579 97.19418 2.557828 -7.131226 
4.241591 
1 1 1 -12 2   17 o 159.2762 2.476992  5296.084       157.4865 5495.044       
270.3918 5193.940       193.7400 161.4405 3.989350 157.1120 2.937184 4.328537 
4.953984 
1 1 1 -12 2   18 o 102.4895 2.092329  2178.002       86.10583 2318.968       
146.8207 2104.100       106.3073 104.9481 3.332221 100.0309 2.531336 4.917145 
4.184658 
1 1 1 -12 2   19 o 127.4296 2.343833  3381.331       117.9276 3530.020       
207.3407 3310.231       143.3767 129.4138 3.816147 125.4454 2.722357 3.968430 
4.687665 
1 1 1 -12 2   20 o 73.14861 2.718026  1058.619       76.35580 1302.840       
146.1273 966.8925       89.55418 78.53598 4.431836 67.76122 3.147934 10.77476 
5.436052 
1 1 1 -12 2   21 o 84.46086 4.544843  1509.767       161.1586 0.000000       
0.000000 1509.767       161.1586 ?        ?        84.46086 4.544843 ? ? 
1 1 1 -12 2   22 o 170.5754 3.894367  6228.359       276.5220 5949.636       
413.4549 6453.933       371.9517 166.9202 5.899839 174.2306 5.084908 -7.310394 
7.788735 
1 1 1 -12 2   23 o 112.7158 3.337255  2712.251       157.2872 2542.073       
227.9874 2866.811       217.2744 109.2491 4.970658 116.1825 4.454397 -6.933342 
6.674511 
1 1 1 -12 2   24 o 89.80522 3.144829  1716.272       118.5055 1638.333       
165.9369 1797.400       169.2978 87.70852 4.506321 91.90192 4.387809 -4.193405 
6.289658 
1 1 1 -12 2   25 o 86.04068 3.087914  1585.170       111.0192 1523.545       
163.1748 1638.281       151.4857 84.39847 4.605106 87.68289 4.115075 -3.284424 
6.175828 
1 1 1 -12 2   26 o 62.42290 3.426153  825.5978       89.03963 977.5763       
136.0376 711.6943       117.7706 67.37802 4.809078 57.46778 4.881277 9.910236 
6.852306 
1 1 1 -12 2   27 o 61.94315 3.493632  831.7790       90.14929 836.7577       
136.2971 827.9072       120.1962 61.98402 5.237546 61.90229 4.624930 
0.8173752E-01  6.987265 
1 1 1 -12 2   28 o 61.60341 3.597996  840.0195       91.36554 770.7545       
139.4190 892.1567       120.9591 59.07378 5.621449 64.13303 4.492395 -5.059250 
7.195992 
1 1 1 -12 2   29 o 23.24561 6.241908  111.7099       83.91740 112.5957       
123.7562 110.9560       114.1761 23.44274 8.974354 23.04848 8.677938 0.3942623 
12.48382 
1 1 1 -12 2   30 o 36.64960 5.956341  333.9775       89.04102 367.3217       
136.8116 309.4748       117.2790 38.03024 8.745831 35.26897 8.088413 2.761265 
11.91268 
1 1 1 -12 2   31 o 27.56629 6.896787  200.9945       98.71071 204.3025       
155.9003 198.7809       127.5305 27.67939 10.19390 27.45320 9.292316 0.2261848 
13.79357 
1 1 1 -12 2   32 o 22.93068 6.511011  123.6442       97.05731 84.29063       
148.6822 152.8660       128.1210 21.66981 9.246848 24.19154 9.168906 -2.521734 
13.02202 
1 1 1 -12 2   33 o 28.87548 6.922482  261.5830       99.84059 282.8243       
147.3631 243.5594       135.7434 29.72576 9.988753 28.02521 9.586856 1.700548 
13.84496 
1 1 1 -12 3   1  o 319.9523 8.809295  21615.98       1100.079 21983.03       
1963.319 21448.01       1328.150 321.3179 14.55382 318.5867 9.929803 2.731140 
17.61859 
1 1 1 -12 3   2  o 219.3220 5.388013  10150.10       438.3530 10110.61       
848.7770 10164.46       511.9057 218.8270 9.238764 219.8171 5.546891 
-0.9901123     10.77603 
1 1 1 -12 3   3  o 256.0228 7.080639  13916.69       683.8405 13715.47       
1284.927 13996.20       807.7325 254.3312 12.03372 257.7144 7.465346 -3.383179 
14.16128 
1 1 1 -12 3   4  o 364.6419 7.720666  28221.61       996.3746 28016.29       
2065.437 28283.89       1137.480 362.9367 13.55508 366.3471 7.395579 -3.410461 
15.44133 
1 1 1 -12 3   5  o 120.8948 3.867112  2941.761       165.4830 3325.308       
354.1992 2834.664       187.1662 125.6484 6.714468 116.1411 3.838508 9.507286 
7.734224 
1 1 1 -12 3   6  o 77.95082 3.237224  1249.260       88.64591 1329.790       
189.1819 1226.605       100.3436 79.49008 5.668754 76.41155 3.127892 3.078529 
6.474448 
1 1 1 -12 3   7  o 309.2268 5.964597  20077.74       522.8489 20353.06       
1445.675 20036.31       560.8111 309.7525 11.11673 308.7011 4.327126 1.051422 
11.92919 
1 1 1 -12 3   8  o 159.6171 2.891963  5324.862       157.6913 5411.069       
345.9037 5302.246       177.1732 160.3563 5.137954 158.8779 2.656169 1.478439 
5.783927 
1 1 1 -12 3   9  o 99.98567 2.361384  2090.345       93.60619 2133.176       
162.3948 2069.035       114.5507 100.7304 3.840013 99.24097 2.749335 1.489403 
4.722769 
1 1 1 -12 3   10 o 206.5568 2.611562  8779.420       169.1913 9259.998       
418.5262 8685.541       184.9801 209.7577 4.752541 203.3559 2.166652 6.401764 
5.223124 
1 1 1 -12 3   11 o 94.36723 1.980427  1891.234       76.85561 1764.104       
119.2377 1981.591       100.5233 91.61435 3.100066 97.12010 2.465351 -5.505753 
3.960854 
1 1 1 -12 3   12 o 68.19301 2.332910  973.2482       66.19070 1010.573       
101.4100 945.5444       87.36741 69.32035 3.484505 67.06567 3.102918 2.254677 
4.665820 
1 1 1 -12 3   13 o 305.2794 3.907547  19752.24       417.4859 19517.37       
878.7709 19820.70       474.4466 303.6463 6.893326 306.9126 3.682084 -3.266357 
7.815093 
1 1 1 -12 3   14 o 112.0067 2.128176  2653.227       98.51884 2549.918       
151.7931 2728.420       129.5006 110.0924 3.284096 113.9210 2.707629 -3.828613 
4.256353 
1 1 1 -12 3   15 o 137.5160 2.497028  3902.293       136.1601 4219.982       
239.2278 3750.064       165.5999 141.5126 4.026591 133.5195 2.954176 7.993118 
4.994056 
1 1 1 -12 3   16 o 49.23022 2.809810  514.4703       56.78308 493.0857       
89.27859 528.9974       73.58453 48.34192 4.398904 50.11852 3.497111 -1.776604 
5.619621 
1 1 1 -12 3   17 o 271.3180 3.239556  15194.45       301.0104 16149.21       
664.6700 14948.12       337.6162 276.1186 5.733654 266.5174 3.017302 9.601227 
6.479113 
1 1 1 -12 3   18 o 240.9043 3.395714  11916.85       266.9690 12808.58       
630.0160 11721.68       294.7395 245.7859 6.105422 236.0226 2.974444 9.763245 
6.791429 
1 1 1 -12 3   19 o 100.2059 2.051780  2082.973       82.92708 2218.515       
139.9764 2009.675       102.9361 102.6524 3.247930 97.75930 2.508017 4.893120 
4.103559 
1 1 1 -12 3   20 o 252.5141 3.504650  13498.44       327.2735 13465.81       
636.5553 13510.17       381.5662 251.8477 6.020315 253.1805 3.589720 -1.332809 
7.009300 
1 1 1 -12 3   21 o 45.79321 3.274376  434.3124       61.57067 488.7951       
100.1240 401.1803       78.07881 48.02438 4.965897 43.56203 4.269196 4.462345 
6.548753 
1 1 1 -12 3   22 o 130.1623 3.377895  3618.134       183.0257 3391.011       
271.8996 3806.313       247.4932 126.2955 5.127928 134.0292 4.398301 -7.733757 
6.755789 
1 1 1 -12 3   23 o 70.18526 4.877039  1048.322       143.7081 1048.322       
143.7081 0.000000       0.000000 70.18526 4.877039 ?        ?        ? ? 
1 1 1 -12 3   24 o 76.02597 3.177839  1216.684       99.88186 1307.224       
157.7244 1156.065       129.0576 78.28683 4.798784 73.76511 4.167290 4.521713 
6.355677 
1 1 1 -12 3   25 o 35.62790 5.434542  290.2709       78.93896 269.1378       
113.1101 310.3377       110.2192 34.23389 8.004910 37.02191 7.352442 -2.788013 
10.86908 
1 1 1 -12 3   26 o 90.82631 2.870909  1730.481       107.6655 1936.236       
171.7681 1597.328       138.1789 95.09457 4.302370 86.55806 3.802379 8.536507 
5.741818 
1 1 1 -12 3   27 o 53.98543 3.821801  623.5457       85.79972 734.5760       
132.5671 543.5100       112.5529 58.02995 5.441326 49.94091 5.368111 8.089039 
7.643601 
1 1 1 -12 3   28 o 63.49332 3.507579  873.5209       91.84304 912.4237       
145.2968 847.6333       118.5253 64.45560 5.369285 62.53104 4.514778 1.924553 
7.015158 
1 1 1 -12 3   29 o 19.66522 5.980866  23.50356       89.24161 16.00009       
127.7973 30.64475       124.6740 19.48174 8.447907 19.84870 8.468523 
-0.3669529     11.96173 
1 1 1 -12 3   30 o 58.79722 4.071941  782.9505       99.41926 753.4495       
150.0271 806.0491       132.7525 57.46716 6.218290 60.12727 5.258869 -2.660107 
8.143883 
1 1 1 -12 3   31 o 17.35844 5.697063  -61.82961      97.53725 -55.65754      
154.2932 -65.93783      125.8803 18.37410 8.491468 16.34278 7.597439 2.031315 
11.39413 
1 1 1 -12 3   32 o 39.24378 5.745095  439.1659       99.18140 173.4807       
147.3683 659.1517       134.0965 25.48899 9.782851 52.99857 6.026630 -27.50957 
11.49019 
1 1 1 -12 3   33 f 24.20102 6.308146  156.7820       96.19193 19.57286       
146.0970 261.7801       127.8029 18.87594 8.557465 29.52610 9.270418 -10.65016 
12.61629 
1 1 1 -12 4   1  o 102.2271 3.842759  2137.078       150.5042 2347.800       
282.9371 2053.925       177.7360 105.6027 6.381696 98.85150 4.282657 6.751167 
7.685519 
1 1 1 -12 4   2  o 183.0827 4.604172  6883.058       311.6593 7428.077       
618.4943 6697.571       360.8162 187.6932 7.848890 178.4721 4.815447 9.221069 
9.208344 
1 1 1 -12 4   3  o 230.3690 5.071141  11182.28       458.9499 11183.67       
806.3780 11181.61       558.1743 230.2256 8.342690 230.5125 5.767617 
-0.2869263     10.14228 
1 1 1 -12 4   4  o 403.4760 10.87021  34474.08       1435.383 35293.79       
3325.525 34286.40       1591.241 404.1646 19.59851 402.7873 9.409820 1.377289 
21.74043 
1 1 1 -12 4   5  o 137.5350 3.976935  3902.410       188.2494 4118.450       
412.4527 3845.564       211.5715 139.7953 7.027529 135.2746 3.725306 4.520660 
7.953871 
1 1 1 -12 4   6  f 118.6732 3.391008  3011.198       136.0962 2879.144       
297.9630 3046.011       152.9872 116.9330 6.069407 120.4133 3.026227 -3.480309 
6.782017 
1 1 1 -12 4   7  o 362.6304 5.738677  27324.43       622.4109 28405.99       
1624.618 27138.37       673.8223 366.0259 10.57208 359.2349 4.467740 6.790985 
11.47735 
1 1 1 -12 4   8  o 101.1922 2.658870  2167.653       102.1921 2116.760       
189.5822 2188.497       121.3278 100.3190 4.501275 102.0655 2.831408 -1.746513 
5.317739 
1 1 1 -12 4   9  o 73.32069 2.515004  1138.639       70.52786 1109.069       
129.2233 1151.185       84.16948 72.61662 4.238635 74.02476 2.708312 -1.408134 
5.030008 
1 1 1 -12 4   10 o 145.7232 2.733608  4520.353       160.2577 4268.502       
264.0844 4667.162       201.6271 142.4311 4.416304 149.0154 3.222842 -6.584259 
5.467216 
1 1 1 -12 4   11 o 229.7156 3.240743  10948.11       252.7586 11383.97       
562.0601 10837.62       282.9875 232.3496 5.761849 227.0815 2.968291 5.268082 
6.481485 
1 1 1 -12 4   12 o 239.4440 2.878371  12139.11       265.0921 11884.38       
481.5417 12249.88       317.5401 237.5044 4.829291 241.3835 3.133372 -3.879150 
5.756742 
1 1 1 -12 4   13 o 62.41178 2.407785  796.2833       61.87030 937.6551       
100.1854 709.1282       78.66284 66.75668 3.574627 58.06688 3.226727 8.689804 
4.815571 
1 1 1 -12 4   14 o 43.98352 3.049079  401.8856       55.48779 440.7779       
87.66911 375.8934       71.66976 45.72313 4.567007 42.24391 4.041038 3.479221 
6.098159 
1 1 1 -12 4   15 o 276.2903 4.775036  16093.62       518.4777 16506.01       
915.2821 15898.77       629.1563 278.3607 7.831919 274.2199 5.464881 4.140778 
9.550073 
1 1 1 -12 4   16 o 63.49865 2.521964  872.9813       65.36888 698.5240       
97.66078 1014.584       87.98550 57.56011 4.041287 69.43719 3.018145 -11.87708 
5.043927 
1 1 1 -12 4   17 o 177.1465 2.235309  6464.459       150.8455 6940.763       
284.8816 6278.887       177.8192 181.4872 3.738862 172.8059 2.450988 8.681366 
4.470618 
1 1 1 -12 4   18 o 72.16979 2.371294  1063.461       69.92415 1238.932       
115.9323 963.1274       87.66481 76.69065 3.600669 67.64893 3.086636 9.041718 
4.742588 
1 1 1 -12 4   19 o 100.2036 2.235305  2079.570       87.47894 2205.918       
157.6340 2023.342       105.1576 102.3191 3.669563 98.08800 2.553559 4.231110 
4.470610 
1 1 1 -12 4   20 o 96.01669 2.256727  1909.437       86.89243 2048.097       
148.8166 1837.711       107.0324 98.57686 3.595816 93.45653 2.727888 5.120331 
4.513454 
1 1 1 -12 4   21 o 154.5262 2.559412  4977.611       160.6491 5272.731       
266.2586 4808.676       201.4482 157.9950 4.014037 151.0574 3.176454 6.937622 
5.118824 
1 1 1 -12 4   22 o 107.5692 2.530179  2468.041       111.9033 2315.106       
173.9551 2576.007       146.1596 104.6243 3.960277 110.5140 3.150148 -5.889687 
5.060359 
1 1 1 -12 4   23 o 40.50559 4.864512  358.6739       80.60415 360.0013       
119.4417 357.5640       109.2251 40.21173 7.347984 40.79946 6.376602 
-0.5877342     9.729025 
1 1 1 -12 4   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 4   25 o 43.35371 4.323148  406.9468       78.25935 407.7136       
116.8842 406.3238       105.3614 43.32104 6.426550 43.38638 5.784278 
-0.6533813E-01 8.646296 
1 1 1 -12 4   26 o 61.05992 3.402492  796.7149       86.29885 835.8525       
133.2983 768.4736       113.2322 62.25283 5.100194 59.86701 4.505088 2.385815 
6.804984 
1 1 1 -12 4   27 o 105.0953 2.896918  2342.452       125.1036 2496.351       
201.0684 2245.241       159.8027 107.6808 4.447611 102.5099 3.713124 5.170860 
5.793836 
1 1 1 -12 4   28 o 50.15480 4.470998  555.2896       93.59332 643.6667       
140.1647 484.1774       125.7305 53.77163 6.208785 46.53798 6.435083 7.233650 
8.941997 
1 1 1 -12 4   29 o 20.57830 6.083902  41.56869       87.69794 86.35579       
134.1274 8.123996       115.9056 22.70070 9.146494 18.45590 8.024781 4.244801 
12.16780 
1 1 1 -12 4   30 o 54.51566 4.535716  693.6417       99.62651 489.1008       
141.3447 895.5895       140.4459 45.62109 7.379638 63.41022 5.275588 -17.78913 
9.071432 
1 1 1 -12 4   31 o 47.17866 5.020284  520.3036       95.95435 652.0640       
147.1075 422.7318       126.5916 52.82235 6.633432 41.53496 7.537279 11.28739 
10.04057 
1 1 1 -12 4   32 o 27.20115 6.766273  199.7076       95.35706 240.0361       
146.0341 169.7307       125.9044 29.01994 9.943607 25.38237 9.179024 3.637571 
13.53255 
1 1 1 -12 4   33 o 25.81025 6.673038  198.0770       94.57542 187.1888       
143.9895 206.3385       125.4239 25.17620 9.667953 26.44430 9.200459 -1.268103 
13.34608 
1 1 1 -12 5   1  o 258.2771 6.899892  13758.00       678.0197 14933.47       
1285.637 13305.10       798.0182 265.3528 11.54027 251.2014 7.566791 14.15140 
13.79978 
1 1 1 -12 5   2  o 159.8618 4.244179  5428.095       266.7773 5240.015       
463.7440 5521.123       326.1477 157.6922 7.004694 162.0314 4.794422 -4.339218 
8.488358 
1 1 1 -12 5   3  o 173.0509 4.465384  6096.381       282.9485 6737.713       
573.0513 5889.619       325.3778 178.7427 7.636359 167.3592 4.630837 11.38350 
8.930769 
1 1 1 -12 5   4  o 226.0127 5.172699  10688.03       452.8495 10982.68       
822.1171 10559.68       542.5847 228.0454 8.586841 223.9800 5.770048 4.065414 
10.34540 
1 1 1 -12 5   5  f 125.3856 3.238263  2893.159       110.8618 3881.767       
342.2815 2777.293       117.1784 135.7766 6.004539 114.9946 2.427118 20.78192 
6.476527 
1 1 1 -12 5   6  o 106.0939 3.064071  2413.449       115.0992 2279.894       
235.7612 2455.242       131.8840 104.0797 5.395449 108.1081 2.905728 -4.028397 
6.128142 
1 1 1 -12 5   7  o 361.2973 6.306677  27205.58       696.8189 28208.40       
1768.256 27021.21       758.1701 364.2506 11.56288 358.3440 5.039502 5.906647 
12.61335 
1 1 1 -12 5   8  o 211.4706 3.630219  9191.382       251.2174 9770.591       
589.6781 9062.948       277.6768 215.2674 6.524658 207.6738 3.184776 7.593597 
7.260437 
1 1 1 -12 5   9  o 146.5601 2.411844  4508.871       133.8977 4529.163       
251.3087 4500.826       158.2267 146.7483 4.079017 146.3718 2.574799 0.3764191 
4.823689 
1 1 1 -12 5   10 o 177.4740 3.432831  6533.862       233.4603 6870.704       
434.3783 6397.040       276.8445 180.5386 5.730852 174.4095 3.780827 6.129044 
6.865662 
1 1 1 -12 5   11 f 34.48680 3.780482  248.7502       53.81626 261.0403       
85.08450 240.5546       69.48003 35.17997 5.760710 33.79362 4.897182 1.386349 
7.560964 
1 1 1 -12 5   12 o 92.59940 1.929256  1816.837       74.25932 1539.597       
105.8685 2085.349       104.1887 85.57947 2.946579 99.61934 2.491140 -14.03987 
3.858511 
1 1 1 -12 5   13 o 163.2879 2.596309  5615.785       169.5404 5596.375       
287.1594 5626.171       210.0594 163.0077 4.196003 163.5681 3.058894 
-0.5603943     5.192618 
1 1 1 -12 5   14 o 70.15207 2.355615  1038.818       68.49105 1014.419       
104.9706 1056.905       90.38059 69.41830 3.601759 70.88584 3.036944 -1.467537 
4.711231 
1 1 1 -12 5   15 o 213.8755 2.952056  9414.871       210.3372 10022.93       
482.3024 9272.063       233.7358 217.7661 5.275337 209.9850 2.651294 7.781082 
5.904112 
1 1 1 -12 5   16 o 91.36263 2.264790  1764.029       84.23056 1728.099       
136.3072 1786.224       107.1336 90.57524 3.584514 92.15001 2.769181 -1.574768 
4.529581 
1 1 1 -12 5   17 o 139.6705 2.290100  4060.496       130.1418 4291.366       
214.7179 3926.433       163.6214 142.7283 3.583266 136.6126 2.852795 6.115784 
4.580200 
1 1 1 -12 5   18 o 60.76794 2.532119  728.1185       61.74146 952.1636       
108.6361 621.2244       75.03835 67.21495 3.849722 54.32094 3.290312 12.89401 
5.064238 
1 1 1 -12 5   19 o 59.24725 2.631927  733.4398       64.31308 772.4443       
102.0248 707.7214       82.84598 60.52450 4.015092 57.97001 3.403997 2.554497 
5.263854 
1 1 1 -12 5   20 o 183.5463 2.283487  7026.166       156.0846 7244.968       
302.9805 6947.119       182.1096 185.3364 3.893813 181.7562 2.386518 3.580185 
4.566973 
1 1 1 -12 5   21 o 152.6721 2.338152  4913.553       145.2437 4914.251       
236.5645 4913.131       184.0091 152.6012 3.692435 152.7431 2.869451 
-0.1419525     4.676304 
1 1 1 -12 5   22 o 88.03050 2.319313  1647.143       83.80469 1575.195       
131.6995 1696.100       108.6377 86.35197 3.632727 89.70904 2.884465 -3.357063 
4.638626 
1 1 1 -12 5   23 o 18.90855 4.630753  -20.84701      57.87947 167.9723       
93.08456 -139.8661      73.90313 27.43023 7.744295 10.38688 5.079505 17.04335 
9.261505 
1 1 1 -12 5   24 o 95.50395 2.724329  1894.995       96.69964 2018.765       
189.5727 1851.464       112.4258 97.35413 4.638124 93.65376 2.859314 3.700371 
5.448658 
1 1 1 -12 5   25 o 75.56264 4.002491  1214.633       126.9745 0.000000       
0.000000 1214.633       126.9745 ?        ?        75.56264 4.002491 ? ? 
1 1 1 -12 5   26 o 76.34583 3.099378  1228.877       97.18304 1338.746       
157.0836 1160.748       123.6975 78.94112 4.739676 73.75052 3.995003 5.190605 
6.198756 
1 1 1 -12 5   27 o 19.76574 5.699804  45.44263       75.01685 16.47571       
115.2257 66.75298       98.83105 19.10741 8.146441 20.42406 7.974118 -1.316656 
11.39961 
1 1 1 -12 5   28 o 45.85466 5.609185  521.8426       98.63954 369.1903       
156.2200 623.0541       127.2037 38.54692 9.662847 53.16241 5.699229 -14.61549 
11.21837 
1 1 1 -12 5   29 o 29.45964 6.701851  197.9056       95.81873 311.2314       
151.5677 122.4629       123.6661 34.83233 9.897468 24.08695 9.038772 10.74538 
13.40370 
1 1 1 -12 5   30 f 33.57992 6.413297  290.8393       92.60533 267.5967       
140.9567 308.4893       122.8333 32.02396 9.672906 35.13588 8.423562 -3.111916 
12.82659 
1 1 1 -12 5   31 o 25.71443 6.536597  153.4208       92.74718 236.2584       
138.1669 85.47940       125.1288 29.73636 9.672058 21.69250 8.795436 8.043856 
13.07319 
1 1 1 -12 5   32 o 51.11461 4.725394  617.6268       100.6348 728.2305       
148.8080 524.4109       136.6112 55.57051 6.378270 46.65871 6.973886 8.911804 
9.450788 
1 1 1 -12 5   33 f 35.82431 6.554695  379.4369       99.79385 336.5275       
155.2115 409.6756       130.2954 32.75174 10.20291 38.89688 8.231449 -6.145142 
13.10939 
1 1 1 -12 6   1  o 124.9856 3.408072  3223.198       169.3918 3478.395       
295.7513 3098.613       206.6436 128.5610 5.479468 121.4101 4.054040 7.150917 
6.816144 
1 1 1 -12 6   2  o 33.02715 5.668718  259.6056       89.85471 28.54337       
148.7164 392.4551       112.7650 22.88736 9.477428 43.16694 6.222203 -20.27958 
11.33744 
1 1 1 -12 6   3  o 221.7745 6.134680  10286.46       493.8695 10603.97       
996.3995 10183.05       568.6334 223.6623 10.61113 219.8866 6.159631 3.775711 
12.26936 
1 1 1 -12 6   4  o 195.3721 5.829887  7806.331       336.6846 8426.656       
899.5277 7705.270       363.0760 199.3301 10.74887 191.4140 4.517986 7.916122 
11.65977 
1 1 1 -12 6   5  o 238.2209 6.331902  12229.63       462.6554 11665.42       
1145.425 12339.62       505.7469 234.2672 11.64599 242.1747 4.974226 -7.907516 
12.66380 
1 1 1 -12 6   6  o 165.1762 3.541044  5794.362       209.2144 5639.469       
425.5037 5843.748       240.2631 163.6001 6.194995 166.7524 3.431912 -3.152298 
7.082089 
1 1 1 -12 6   7  o 187.7599 3.895797  7123.598       245.1149 7929.164       
563.7349 6935.795       272.1913 193.8694 6.926069 181.6504 3.569102 12.21896 
7.791593 
1 1 1 -12 6   8  o 175.7667 2.731182  6422.484       155.1382 6611.830       
367.3023 6381.371       171.1544 177.2326 4.936295 174.3008 2.338891 2.931824 
5.462363 
1 1 1 -12 6   9  o 248.8048 4.563766  13155.09       442.3369 12806.57       
783.9889 13317.85       535.7573 246.1280 7.586999 251.4817 5.074378 -5.353729 
9.127533 
1 1 1 -12 6   10 o 200.0891 3.315476  8546.300       244.2532 8184.831       
473.7181 8677.197       285.0681 197.0200 5.727047 203.1582 3.342222 -6.138214 
6.630952 
1 1 1 -12 6   11 o 46.49364 2.879655  462.6429       55.21938 377.6058       
80.17327 539.3892       76.16482 42.34659 4.509540 50.64068 3.582415 -8.294090 
5.759309 
1 1 1 -12 6   12 o 108.3983 1.881823  2449.864       83.19186 2551.477       
136.0084 2389.121       105.1577 110.1651 2.940646 106.6315 2.348964 3.533554 
3.763646 
1 1 1 -12 6   13 o 175.0915 2.482429  6483.074       173.2768 6348.539       
294.1203 6554.590       214.4425 173.6248 4.034914 176.5582 2.892971 -2.933365 
4.964858 
1 1 1 -12 6   14 o 89.51560 2.289612  1691.477       84.01150 1660.622       
133.5463 1711.685       108.0757 88.81421 3.581545 90.21700 2.853388 -1.402786 
4.579224 
1 1 1 -12 6   15 o 201.4318 3.635324  8568.113       290.7345 8593.285       
500.4899 8555.292       357.1786 201.4376 5.918011 201.4260 4.223679 
0.1158142E-01  7.270648 
1 1 1 -12 6   16 o 56.45197 2.587083  678.7368       60.50319 616.3503       
90.68391 728.7866       81.22437 54.06882 3.994886 58.83513 3.288294 -4.766315 
5.174166 
1 1 1 -12 6   17 o 30.99131 4.446525  198.7950       56.55070 289.2225       
88.99938 137.5647       73.23528 36.95329 5.736605 25.02934 6.795417 11.92395 
8.893050 
1 1 1 -12 6   18 o 90.92516 2.205003  1760.740       82.29269 1633.005       
128.1524 1850.373       107.3502 88.05742 3.466425 93.79289 2.726177 -5.735474 
4.410006 
1 1 1 -12 6   19 f 90.08234 2.126621  1658.589       76.25680 1860.620       
133.9068 1561.624       92.76899 93.99376 3.393319 86.17091 2.564267 7.822853 
4.253243 
1 1 1 -12 6   20 o 81.58259 2.248314  1391.029       75.68586 1457.946       
119.7726 1346.546       97.65424 83.18202 3.429644 79.98315 2.908128 3.198868 
4.496628 
1 1 1 -12 6   21 o 58.73267 2.716641  732.6403       66.44279 688.3880       
98.66594 769.3595       89.87649 57.07502 4.117582 60.39033 3.544865 -3.315315 
5.433282 
1 1 1 -12 6   22 o 83.63181 2.374989  1448.025       81.25862 1598.864       
133.2102 1358.634       102.5476 86.99335 3.647309 80.27027 3.042929 6.723076 
4.749977 
1 1 1 -12 6   23 o 72.52811 2.697139  1122.300       79.75165 1074.866       
127.6985 1152.631       102.1148 71.18521 4.272843 73.87102 3.292574 -2.685806 
5.394278 
1 1 1 -12 6   24 o 31.45295 4.646460  200.9706       60.76224 344.2209       
98.58031 113.2036       77.16287 40.02618 5.866338 22.87972 7.207249 17.14647 
9.292919 
1 1 1 -12 6   25 o 20.01709 4.977461  69.23772       58.59747 -23.68311      
93.49202 129.3570       75.20124 15.96830 7.063075 24.06588 7.015230 -8.097582 
9.954923 
1 1 1 -12 6   26 o 106.8981 3.109998  2473.970       136.4078 2305.285       
212.6325 2591.944       177.8210 103.5175 4.892570 110.2788 3.840716 -6.761299 
6.219996 
1 1 1 -12 6   27 o 128.5444 4.959789  3576.750       267.6673 3576.750       
267.6673 0.000000       0.000000 128.5444 4.959789 ?        ?        ? ? 
1 1 1 -12 6   28 o 27.62488 6.361933  180.2769       92.32825 63.81850       
146.7919 256.5053       118.7614 22.68163 9.405513 32.56813 8.569311 -9.886509 
12.72387 
1 1 1 -12 6   29 o 93.11500 3.898465  1922.442       148.5817 1910.842       
237.0263 1929.950       190.7011 92.32188 6.115232 93.90812 4.836946 -1.586243 
7.796929 
1 1 1 -12 6   30 o 53.33427 4.613438  653.8987       102.1211 630.7423       
154.3873 671.9114       136.1651 52.11425 7.056287 54.55428 5.945085 -2.440029 
9.226875 
1 1 1 -12 6   31 o 44.78975 5.603722  518.2442       98.12714 306.2637       
142.8562 707.6083       135.0206 33.78918 9.611307 55.79031 5.764508 -22.00113 
11.20744 
1 1 1 -12 6   32 o 51.89690 5.287661  684.0066       103.2433 402.5202       
146.0445 965.2119       145.9716 38.68983 9.127786 65.10397 5.340500 -26.41413 
10.57532 
1 1 1 -12 6   33 f 17.12944 5.647556  -43.45914      99.23953 -43.61969      
137.7841 -43.28608      143.0560 16.98716 7.916867 17.27173 8.056227 
-0.2845650     11.29511 
1 1 1 -12 7   1  o 88.17130 3.489434  1561.551       115.7237 1803.382       
226.7955 1476.424       134.5589 92.53621 5.837726 83.80639 3.824338 8.729820 
6.978869 
1 1 1 -12 7   2  o 141.1063 3.520532  4175.189       196.9924 4233.389       
341.0303 4146.045       241.3257 141.7876 5.728959 140.4250 4.093363 1.362625 
7.041064 
1 1 1 -12 7   3  o 311.4853 9.207690  20496.44       1039.817 21112.16       
2097.623 20295.85       1197.274 313.2979 15.94744 309.6726 9.208989 3.625366 
18.41538 
1 1 1 -12 7   4  o 192.7491 5.095725  7817.007       351.7112 7881.227       
720.1999 7796.895       403.0397 193.0107 8.887767 192.4875 4.987310 0.5232391 
10.19145 
1 1 1 -12 7   5  o 229.5129 5.635583  10901.57       421.4227 11496.39       
991.9769 10770.57       465.5202 232.7914 10.14976 226.2345 4.901181 6.556839 
11.27117 
1 1 1 -12 7   6  o 215.4161 5.640491  9609.468       385.2671 10114.42       
938.3232 9507.079       422.5256 218.2755 10.23926 212.5567 4.734775 5.718781 
11.28098 
1 1 1 -12 7   7  o 190.3496 3.858165  7532.502       265.7020 7828.504       
540.0965 7437.991       305.1865 192.6235 6.678564 188.0756 3.865039 4.547928 
7.716330 
1 1 1 -12 7   8  o 322.3186 4.355330  21449.59       349.3513 22489.60       
1131.253 21339.95       367.3048 325.9456 8.266763 318.6916 2.745219 7.254028 
8.710660 
1 1 1 -12 7   9  o 48.21932 3.148686  489.7395       61.29914 488.0850       
101.6470 490.6850       76.84519 48.13755 5.029578 48.30109 3.789490 
-0.1635437     6.297372 
1 1 1 -12 7   10 o 201.5803 3.712809  8394.937       277.9648 8930.773       
545.8466 8207.334       322.9795 205.6516 6.322075 197.5089 3.895016 8.142624 
7.425617 
1 1 1 -12 7   11 o 105.2428 2.281463  2329.969       97.04851 2325.821       
160.5912 2332.356       121.8067 105.1442 3.637957 105.3413 2.754189 
-0.1971054     4.562925 
1 1 1 -12 7   12 o 220.8444 3.041491  10248.45       266.8378 10351.09       
459.7748 10196.33       327.6675 221.5542 4.942950 220.1346 3.545407 1.419632 
6.082982 
1 1 1 -12 7   13 f 47.96406 2.720761  489.2171       54.02443 451.2824       
81.66148 518.7422       72.04341 46.27982 4.202878 49.64831 3.456295 -3.368492 
5.441522 
1 1 1 -12 7   14 o 70.94333 2.401114  1072.848       69.70862 994.5871       
109.4799 1126.211       90.40263 68.71562 3.794896 73.17104 2.942815 -4.455414 
4.802228 
1 1 1 -12 7   15 f 154.2904 2.441613  5031.586       151.9326 4944.364       
251.6394 5081.622       190.5928 153.1660 3.913248 155.4148 2.921025 -2.248840 
4.883226 
1 1 1 -12 7   16 o 80.36913 2.235284  1362.269       74.22897 1344.445       
115.3191 1374.877       96.99429 79.89930 3.437790 80.83895 2.857897 
-0.9396515     4.470568 
1 1 1 -12 7   17 o 161.3167 2.389236  5381.074       146.3033 5710.177       
277.2037 5254.005       172.2473 164.5722 4.012024 158.0612 2.595662 6.511047 
4.778473 
1 1 1 -12 7   18 o 30.88958 4.695507  199.9537       58.42415 277.2612       
94.00645 151.3018       74.57565 35.58807 6.536036 26.19108 6.743246 9.396988 
9.391013 
1 1 1 -12 7   19 o 72.80188 2.665714  1146.307       79.13869 962.0701       
121.1161 1283.571       104.5422 67.52160 4.272482 78.08215 3.189046 -10.56055 
5.331428 
1 1 1 -12 7   20 o 84.92489 2.427935  1525.427       85.16114 1487.933       
132.0558 1552.123       111.4270 83.99702 3.744679 85.85276 3.091415 -1.855743 
4.855870 
1 1 1 -12 7   21 o 93.45262 2.418910  1857.450       91.74886 1779.545       
148.6401 1905.402       116.6156 91.79653 3.856834 95.10870 2.920502 -3.312172 
4.837820 
1 1 1 -12 7   22 o 73.23376 2.560521  1151.837       75.30170 1065.760       
123.7917 1202.395       94.87281 70.95127 4.155778 75.51627 2.992419 -4.564995 
5.121041 
1 1 1 -12 7   23 o 55.79790 3.041296  653.2094       69.78889 696.5677       
111.9499 625.6488       89.25462 57.24398 4.658164 54.35183 3.911448 2.892143 
6.082592 
1 1 1 -12 7   24 o 132.6627 2.541182  3673.958       136.8530 3934.094       
227.6273 3526.703       171.2616 136.1537 3.982134 129.1717 3.158011 6.982010 
5.082364 
1 1 1 -12 7   25 o 94.43846 2.462398  1921.976       95.23695 1732.555       
147.7588 2056.593       124.5631 90.27208 3.898710 98.60484 3.008932 -8.332764 
4.924796 
1 1 1 -12 7   26 o 93.35188 2.424424  1828.454       93.75790 1991.156       
147.2859 1717.605       121.5712 96.73223 3.626694 89.97152 3.218449 6.760712 
4.848848 
1 1 1 -12 7   27 o 80.89429 3.808607  1416.436       126.3151 1460.986       
202.7385 1388.171       161.4899 81.63187 5.915584 80.15670 4.798732 1.475166 
7.617215 
1 1 1 -12 7   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 7   29 o 74.64381 3.875079  1239.724       118.1611 1201.629       
188.1326 1264.541       151.8479 73.21538 6.120442 76.07226 4.754487 -2.856880 
7.750158 
1 1 1 -12 7   30 o 79.76842 3.906683  1442.031       126.6066 1329.295       
200.9882 1516.191       163.0143 76.45584 6.261536 83.08099 4.673529 -6.625145 
7.813367 
1 1 1 -12 7   31 o 79.54942 3.983142  1460.075       129.8611 1217.661       
193.1017 1660.230       175.4652 72.63627 6.332186 86.46259 4.833746 -13.82632 
7.966284 
1 1 1 -12 7   32 o 23.78626 6.487624  133.8902       92.47797 106.0972       
133.1654 159.7801       128.5252 22.52624 9.098150 25.04629 9.250984 -2.520058 
12.97525 
1 1 1 -12 7   33 o 21.79468 6.333611  95.97079       97.03517 20.10654       
136.4474 173.5973       138.0231 18.74202 8.393134 24.84734 9.487559 -6.105326 
12.66722 
1 1 1 -12 8   1  o 37.49134 5.624187  275.0684       87.40366 471.8623       
144.7165 162.0611       109.6643 47.27370 7.291544 27.70898 8.565005 19.56473 
11.24837 
1 1 1 -12 8   2  o 195.7348 5.065026  8177.756       397.5215 7773.562       
660.8792 8406.905       497.6049 191.7317 8.210115 199.7380 5.933966 -8.006302 
10.13005 
1 1 1 -12 8   3  o 157.7225 4.643373  5213.087       251.9193 5305.772       
547.2408 5188.163       283.7759 158.3941 8.229255 157.0509 4.303839 1.343170 
9.286747 
1 1 1 -12 8   4  o 57.73729 3.438031  696.2764       79.97473 720.5179       
134.4773 683.0109       99.47827 58.48842 5.476462 56.98616 4.157956 1.502262 
6.876063 
1 1 1 -12 8   5  o 310.3298 8.335192  19762.77       752.6550 21649.25       
2050.593 19469.05       809.1289 316.8222 15.41647 303.8373 6.343044 12.98492 
16.67038 
1 1 1 -12 8   6  o 36.80244 5.227358  267.6588       68.13012 341.7584       
145.0337 246.6774       77.17525 39.38462 8.969134 34.22026 5.371750 5.164360 
10.45472 
1 1 1 -12 8   7  o 227.7614 4.112268  10491.62       289.5623 11607.04       
737.1032 10288.07       314.8759 234.3035 7.493255 221.2192 3.390297 13.08435 
8.224536 
1 1 1 -12 8   8  o 164.4516 2.731680  5582.586       151.7387 5868.599       
340.7359 5511.834       169.4707 166.9318 4.861832 161.9715 2.492167 4.960327 
5.463360 
1 1 1 -12 8   9  o 77.62183 2.163453  1287.092       68.00816 1184.057       
109.5012 1351.793       86.77242 75.03609 3.475918 80.20757 2.576840 -5.171471 
4.326905 
1 1 1 -12 8   10 o 220.8485 3.009646  10270.55       237.2424 10265.82       
487.2428 10272.02       271.6143 220.6429 5.259889 221.0542 2.926678 
-0.4113312     6.019292 
1 1 1 -12 8   11 o 121.6458 2.103888  3080.717       101.8840 3206.812       
176.0864 3017.257       124.9176 123.4690 3.396947 119.8226 2.483167 3.646400 
4.207775 
1 1 1 -12 8   12 f 74.82082 2.370285  1176.135       73.47274 1188.162       
113.7775 1167.532       96.22618 75.13506 3.606906 74.50658 3.076236 0.6284790 
4.740570 
1 1 1 -12 8   13 o 91.77356 2.056372  1764.949       77.67811 1803.638       
123.2207 1739.433       100.0656 92.58870 3.169909 90.95843 2.620372 1.630272 
4.112745 
1 1 1 -12 8   14 o 206.0001 2.783934  8973.631       224.7259 8855.430       
395.4153 9030.025       273.1229 204.8500 4.597677 207.1502 3.140463 -2.300186 
5.567867 
1 1 1 -12 8   15 o 90.23999 2.012167  1717.868       75.70297 1670.391       
113.0907 1756.415       101.9017 89.09451 3.023410 91.38548 2.655984 -2.290962 
4.024333 
1 1 1 -12 8   16 o 43.75544 3.481570  424.7152       60.79530 312.8159       
93.11958 507.8453       80.26131 38.42722 5.771958 49.08366 3.894846 -10.65645 
6.963140 
1 1 1 -12 8   17 o 40.29104 3.668037  373.9019       55.68909 243.5615       
85.46733 470.0676       73.41257 33.34801 6.333498 47.23407 3.701998 -13.88606 
7.336074 
1 1 1 -12 8   18 o 94.66246 2.365687  1866.675       91.31619 1969.958       
149.7601 1805.549       115.2118 96.69334 3.689101 92.63158 2.962505 4.061760 
4.731374 
1 1 1 -12 8   19 o 165.0785 3.064997  5703.651       201.0371 5901.876       
348.2158 5604.546       246.2158 167.0700 4.964448 163.0871 3.595982 3.982956 
6.129995 
1 1 1 -12 8   20 o 39.49545 3.898535  334.5888       62.91899 313.5949       
99.47398 348.5893       81.23335 38.39936 6.170304 40.59154 4.766723 -2.192181 
7.797070 
1 1 1 -12 8   21 o 66.53209 2.614538  934.2171       69.82343 935.6584       
117.4267 933.4288       86.84374 66.51601 4.204959 66.54816 3.108305 
-0.3214264E-01 5.229076 
1 1 1 -12 8   22 f 65.84324 2.676064  922.5050       73.40236 858.6186       
108.4073 976.5905       99.74594 63.68968 4.054252 67.99680 3.494039 -4.307125 
5.352128 
1 1 1 -12 8   23 o 128.1572 2.403567  3528.400       125.5336 3211.711       
198.1406 3740.755       162.2521 123.1557 3.832129 133.1587 2.902297 -10.00301 
4.807134 
1 1 1 -12 8   24 o 40.26105 3.880613  340.1064       64.57133 389.3513       
102.8927 308.1116       82.93600 42.57192 5.756815 37.95020 5.205353 4.621723 
7.761225 
1 1 1 -12 8   25 o 72.06995 2.682336  1105.047       80.29764 1095.136       
122.4915 1112.515       106.3314 71.72018 4.068045 72.41971 3.497245 
-0.6995316     5.364673 
1 1 1 -12 8   26 o 75.42445 2.822880  1217.565       88.94322 1251.609       
120.9780 1177.515       131.2140 76.64573 3.759583 74.20317 4.211905 2.442558 
5.645761 
1 1 1 -12 8   27 o 56.40115 3.676033  691.7844       86.84349 705.8638       
119.6339 676.1011       126.2647 57.08222 4.992000 55.72008 5.397481 1.362144 
7.352066 
1 1 1 -12 8   28 o 51.88857 4.382594  542.3087       89.82135 780.4399       
165.0346 442.0813       107.0681 58.99066 6.663661 44.78647 5.694220 14.20419 
8.765187 
1 1 1 -12 8   29 o 52.83322 6.024188  624.6143       133.6240 0.000000       
0.000000 624.6143       133.6240 ?        ?        52.83322 6.024188 ? ? 
1 1 1 -12 8   30 o 58.58569 4.552053  779.5093       111.0945 820.2171       
169.4079 748.7937       147.1546 59.67495 6.761804 57.49644 6.096127 2.178505 
9.104106 
1 1 1 -12 8   31 o 34.27355 6.603401  311.1278       97.19316 305.3799       
148.2971 315.4560       128.6838 33.59494 9.870130 34.95216 8.774975 -1.357227 
13.20680 
1 1 1 -12 8   32 o 27.66696 6.740825  207.6374       94.89100 211.6921       
139.4617 204.1421       129.4852 27.82582 9.699705 27.50810 9.363258 0.3177109 
13.48165 
1 1 1 -12 8   33 o 16.04330 5.342816  -68.81704      92.77795 -90.65936      
135.7399 -49.66634      127.1014 15.81073 7.519099 16.27588 7.592490 
-0.4651451     10.68563 
1 1 1 -12 9   1  o 37.83594 5.593965  269.9887       86.58492 496.9261       
149.7193 155.9496       106.1332 48.48658 7.354908 27.18529 8.430606 21.30129 
11.18793 
1 1 1 -12 9   2  o 178.1672 5.502690  6621.991       369.7529 6926.988       
705.2678 6506.382       434.2115 180.6667 9.298162 175.6678 5.887492 4.998886 
11.00538 
1 1 1 -12 9   3  o 186.4883 5.180477  7310.184       323.4243 7417.226       
727.7980 7283.843       361.0311 186.9537 9.272521 186.0229 4.622739 0.9308624 
10.36095 
1 1 1 -12 9   4  o 161.4727 4.096779  5462.168       243.8581 5570.000       
479.5535 5424.560       283.2083 162.3756 7.034566 160.5698 4.201103 1.805862 
8.193558 
1 1 1 -12 9   5  o 68.95987 3.312101  945.0065       82.35933 1112.275       
173.0648 896.0349       93.64268 72.63651 5.675117 65.28323 3.416593 7.353271 
6.624203 
1 1 1 -12 9   6  o 161.7074 3.575460  5347.880       170.9162 5738.109       
456.2795 5284.188       184.3375 164.8397 6.593111 158.5751 2.768852 6.264511 
7.150919 
1 1 1 -12 9   7  o 188.2273 2.811258  7286.691       166.5755 7710.333       
410.4106 7203.138       182.2632 191.2880 5.110364 185.1666 2.344539 6.121445 
5.622516 
1 1 1 -12 9   8  o 258.7194 4.209500  14067.55       358.8932 14226.62       
824.1042 14030.32       398.6855 259.1805 7.573574 258.2583 3.677031 0.9222717 
8.419001 
1 1 1 -12 9   9  f 77.60582 2.461526  1254.784       75.05484 1300.909       
133.0308 1233.246       90.90459 78.61519 4.030574 76.59645 2.826821 2.018738 
4.923052 
1 1 1 -12 9   10 o 70.87291 2.443077  1078.593       70.76830 944.7309       
109.4122 1174.875       92.79189 66.99333 3.890052 74.75248 2.956688 -7.759148 
4.886154 
1 1 1 -12 9   11 o 165.6642 2.928427  5749.884       195.4087 5890.257       
327.9654 5672.624       243.3129 167.1459 4.673620 164.1825 3.529875 2.963409 
5.856854 
1 1 1 -12 9   12 o 116.6342 2.042335  2880.800       96.67744 2781.283       
157.0184 2941.560       122.6910 114.9719 3.252970 118.2966 2.470369 -3.324677 
4.084671 
1 1 1 -12 9   13 o 133.7011 2.685758  3764.561       144.9154 3769.496       
240.8122 3761.760       181.4474 133.7054 4.289933 133.6967 3.232594 
0.8697510E-02  5.371516 
1 1 1 -12 9   14 o 36.27301 4.111790  298.3946       57.75017 222.4323       
90.11379 351.3348       75.22892 31.73860 6.953135 40.80742 4.391033 -9.068819 
8.223579 
1 1 1 -12 9   15 o 44.28395 3.143732  432.7160       55.82860 318.2523       
84.37244 521.8653       74.46042 38.79428 5.180289 49.77363 3.563258 -10.97935 
6.287464 
1 1 1 -12 9   16 o 195.1207 2.575195  7853.291       178.8378 8338.653       
374.2439 7709.656       203.5871 198.7651 4.484724 191.4763 2.532541 7.288788 
5.150390 
1 1 1 -12 9   17 o 70.39450 2.559686  1007.103       74.05298 1230.515       
120.8195 872.6697       93.72098 76.41698 3.765894 64.37202 3.467853 12.04495 
5.119371 
1 1 1 -12 9   18 o 75.77917 2.444556  1213.148       76.53905 1188.199       
118.6766 1230.916       100.1512 75.08665 3.764639 76.47169 3.119440 -1.385040 
4.889112 
1 1 1 -12 9   19 o 117.1062 2.136356  2899.431       103.8448 2797.985       
157.7267 2977.052       137.9664 115.2634 3.259379 118.9490 2.762700 -3.685570 
4.272711 
1 1 1 -12 9   20 o 68.95018 2.428274  1017.525       69.18864 881.9492       
102.7076 1130.166       93.61790 64.64944 3.784068 73.25091 3.044156 -8.601463 
4.856548 
1 1 1 -12 9   21 o 95.08739 2.535470  1905.723       98.14579 1921.195       
159.9431 1896.379       124.2990 95.33153 3.996226 94.84325 3.121637 0.4882813 
5.070941 
1 1 1 -12 9   22 o 145.4144 2.819913  4519.076       166.0376 4306.740       
270.0400 4648.147       210.5383 142.4711 4.514633 148.3577 3.380196 -5.886612 
5.639826 
1 1 1 -12 9   23 o 69.95100 2.636168  1051.992       76.01199 929.9900       
114.7603 1147.350       101.4588 66.21454 4.128189 73.68747 3.279571 -7.472931 
5.272336 
1 1 1 -12 9   24 o 47.92541 3.253154  500.6837       62.28255 450.6033       
102.5749 529.9299       78.38663 45.85986 5.327572 49.99095 3.734837 -4.131084 
6.506308 
1 1 1 -12 9   25 f 55.52230 3.454750  664.5119       79.99167 586.7758       
114.3586 738.9826       111.9310 52.24506 5.213685 58.79954 4.534170 -6.554478 
6.909501 
1 1 1 -12 9   26 o 52.07466 3.766390  587.6373       81.89848 514.0779       
114.7807 663.9277       116.8920 48.66204 5.618234 55.48729 5.017790 -6.825249 
7.532779 
1 1 1 -12 9   27 o 32.81326 5.664026  252.8105       77.60411 217.9110       
107.3583 291.0011       112.3064 30.36763 8.219957 35.25890 7.794683 -4.891272 
11.32805 
1 1 1 -12 9   28 o 58.93104 3.385296  753.9911       83.66563 804.5789       
120.6687 707.1572       116.1053 60.85924 4.722688 57.00283 4.851508 3.856403 
6.770592 
1 1 1 -12 9   29 o 44.77930 4.203232  447.8193       78.76128 453.2590       
116.3813 443.2228       106.9819 44.92418 6.170553 44.63444 5.709019 0.2897377 
8.406464 
1 1 1 -12 9   30 o 39.89874 7.121773  499.1750       120.4293 195.7653       
281.1726 567.3406       133.2726 29.92950 12.74196 49.86798 6.365610 -19.93849 
14.24355 
1 1 1 -12 9   31 o 75.57448 3.910685  1281.575       119.7121 1323.608       
197.6635 1257.227       150.4409 75.85262 6.206932 75.29633 4.758974 0.5562973 
7.821370 
1 1 1 -12 9   32 o 33.19843 6.742153  306.3042       99.57310 272.1893       
144.0895 337.4873       137.7590 31.10933 9.854867 35.28752 9.203701 -4.178192 
13.48431 
1 1 1 -12 9   33 o 32.01693 6.709603  302.0114       96.54804 299.5039       
142.2206 304.1548       131.4891 31.58623 9.751907 32.44764 9.218211 
-0.8614178     13.41921 
1 1 1 -12 10  1  o 146.0621 4.979371  4395.048       276.7959 4790.231       
525.0554 4242.953       325.7354 150.2748 8.322233 141.8493 5.469641 8.425507 
9.958741 
1 1 1 -12 10  2  o 128.5159 4.344264  3496.540       217.4594 3459.882       
387.1342 3513.438       262.8448 127.8862 7.210393 129.1456 4.847757 -1.259392 
8.688528 
1 1 1 -12 10  3  o 133.9602 4.303273  3857.234       209.8785 3647.395       
412.4652 3930.547       243.8006 131.2680 7.484274 136.6525 4.249505 -5.384506 
8.606546 
1 1 1 -12 10  4  o 168.7928 4.825764  6041.246       269.2520 5992.250       
612.5682 6052.979       299.7617 168.0032 8.684764 169.5825 4.210330 -1.579346 
9.651528 
1 1 1 -12 10  5  o 99.65437 3.350530  2049.338       112.1704 2163.468       
253.8994 2021.660       125.0342 101.2421 5.973402 98.06667 3.036885 3.175407 
6.701059 
1 1 1 -12 10  6  o 258.3287 7.104009  13613.99       370.2042 14963.17       
1518.333 13528.71       381.7247 263.0515 13.74824 253.6058 3.585190 9.445709 
14.20802 
1 1 1 -12 10  7  o 109.4801 2.675201  2399.512       106.9793 2772.972       
219.6370 2283.355       122.4915 114.7340 4.559682 104.2262 2.799304 10.50775 
5.350402 
1 1 1 -12 10  8  o 201.6696 3.294436  8547.209       221.3684 8608.561       
500.7059 8532.305       246.7987 201.8830 5.907504 201.4562 2.917986 0.4267578 
6.588872 
1 1 1 -12 10  9  o 97.37135 2.717304  1888.227       97.40279 2221.885       
198.3208 1782.157       111.8182 102.6756 4.600681 92.06711 2.892870 10.60850 
5.434608 
1 1 1 -12 10  10 o 172.1794 3.165652  6247.752       217.1004 6251.536       
371.1653 6245.784       267.6637 172.1078 5.136742 172.2510 3.701254 
-0.1431427     6.331303 
1 1 1 -12 10  11 o 79.99364 2.153249  1317.976       70.18967 1459.744       
116.3901 1236.952       87.99014 83.28775 3.328557 76.69953 2.732514 6.588219 
4.306498 
1 1 1 -12 10  12 o 59.47827 2.723313  759.4968       66.55014 658.1853       
100.8343 837.6861       88.58352 55.87075 4.298776 63.08578 3.344587 -7.215027 
5.446626 
1 1 1 -12 10  13 o 137.1457 2.273920  3962.074       127.0324 3945.701       
206.1093 3972.103       161.3142 136.8724 3.586765 137.4190 2.796063 
-0.5466461     4.547840 
1 1 1 -12 10  14 o 179.9017 2.140159  6835.446       148.4956 6748.326       
269.0367 6873.615       178.0789 178.9850 3.580272 180.8185 2.345799 -1.833527 
4.280318 
1 1 1 -12 10  15 f 153.5720 2.175465  4978.712       136.9563 4892.675       
217.7052 5035.063       176.1876 152.4263 3.401966 154.7176 2.712418 -2.291336 
4.350929 
1 1 1 -12 10  16 o 169.2438 2.760216  6069.295       189.4937 5911.577       
308.8468 6164.512       239.9706 167.3786 4.395054 171.1090 3.340459 -3.730438 
5.520432 
1 1 1 -12 10  17 o 177.5193 2.295840  6625.792       155.0631 6654.013       
288.8169 6614.363       183.7999 177.6772 3.871791 177.3614 2.468352 0.3157959 
4.591681 
1 1 1 -12 10  18 o 202.5069 2.704467  8637.219       210.8620 8663.979       
384.6509 8625.722       252.1208 202.5614 4.523048 202.4524 2.966244 0.1090088 
5.408934 
1 1 1 -12 10  19 o 96.67044 2.481350  1985.447       97.61776 1902.889       
157.1250 2037.344       124.5771 94.97022 3.940752 98.37065 3.016433 -3.400429 
4.962700 
1 1 1 -12 10  20 o 50.61005 3.482788  580.3664       68.95084 382.6823       
105.0685 729.8982       91.38050 42.41011 5.900982 58.81001 3.701036 -16.39990 
6.965577 
1 1 1 -12 10  21 o 42.25716 3.780696  378.9187       65.59893 384.3618       
104.5607 375.3856       84.23988 42.44989 5.866956 42.06443 4.770060 0.3854599 
7.561392 
1 1 1 -12 10  22 o 126.9731 2.566022  3388.173       132.0085 3487.390       
218.7218 3331.323       165.5635 128.3114 4.060205 125.6348 3.138888 2.676582 
5.132045 
1 1 1 -12 10  23 o 79.41692 2.518433  1360.695       82.22765 1161.555       
123.4735 1519.396       110.2258 74.01549 3.973491 84.81835 3.095382 -10.80286 
5.036866 
1 1 1 -12 10  24 o 105.2266 2.649762  2303.554       112.8096 2517.040       
189.9270 2187.183       140.2246 108.7926 4.158229 101.6606 3.285434 7.132019 
5.299523 
1 1 1 -12 10  25 o 112.1385 2.649996  2699.951       121.0116 2560.387       
193.7052 2789.283       154.9745 109.5504 4.211610 114.7265 3.217491 -5.176094 
5.299992 
1 1 1 -12 10  26 o 71.16476 2.931941  1083.129       87.41799 992.1756       
122.0656 1178.892       125.2514 68.05763 4.272061 74.27188 4.016791 -6.214249 
5.863883 
1 1 1 -12 10  27 o 24.46728 5.990423  129.2816       75.72619 157.2001       
106.3730 100.5942       107.8278 26.19204 8.484739 22.74251 8.458716 3.449532 
11.98085 
1 1 1 -12 10  28 o 46.96280 4.300061  488.8748       84.04401 408.6294       
115.6640 578.6335       122.3281 42.72794 6.447737 51.19765 5.691114 -8.469715 
8.600122 
1 1 1 -12 10  29 o 79.36345 3.206729  1338.940       105.2339 1574.779       
167.5452 1185.284       135.2380 84.88242 4.701486 73.84448 4.362163 11.03793 
6.413457 
1 1 1 -12 10  30 o 44.01467 4.634403  456.0739       81.53508 387.4712       
121.3461 512.5397       110.0900 40.14939 7.477771 47.87995 5.476651 -7.730556 
9.268806 
1 1 1 -12 10  31 o 91.67003 4.091990  1886.098       153.1282 2028.766       
250.4053 1800.877       193.5323 93.64832 6.368904 89.69173 5.139515 3.956589 
8.183981 
1 1 1 -12 10  32 o 41.47464 9.651362  471.9908       165.0498 471.9908       
165.0498 0.000000       0.000000 41.47464 9.651362 ?        ?        ? ? 
1 1 1 -12 10  33 o 55.44564 4.755643  763.3972       108.6272 635.5370       
156.5622 882.0845       150.8416 49.97858 7.461464 60.91270 5.898400 -10.93411 
9.511287 
1 1 1 -12 11  1  o 154.1064 4.104912  4991.965       256.5256 5107.090       
423.5743 4925.282       322.3683 155.3857 6.492916 152.8272 5.024265 2.558426 
8.209824 
1 1 1 -12 11  2  o 165.9359 3.887532  5861.222       267.4742 5442.454       
402.7781 6191.582       357.7448 160.5071 5.977129 171.3647 4.972480 -10.85754 
7.775064 
1 1 1 -12 11  3  o 328.3938 8.862761  23453.18       1159.856 22645.48       
1957.173 23890.39       1439.950 322.5349 14.45352 334.2527 10.26109 -11.71777 
17.72552 
1 1 1 -12 11  4  o 17.53175 5.444282  -19.41369      69.75013 -19.24182      
132.1404 -19.48008      82.12289 19.77086 8.582014 15.29264 6.701481 4.478228 
10.88856 
1 1 1 -12 11  5  o 306.2856 7.987723  19670.24       493.5796 20695.52       
1996.966 19603.53       509.3840 307.4141 15.47277 305.1573 3.975966 2.256805 
15.97545 
1 1 1 -12 11  6  o 123.0406 2.844456  3162.750       120.0068 3230.530       
262.1531 3144.781       134.9803 123.7626 5.045295 122.3186 2.628445 1.444000 
5.688912 
1 1 1 -12 11  7  o 84.31325 3.130240  1557.923       93.12238 1386.594       
188.5397 1613.205       107.0974 81.03426 5.541857 87.59223 2.912289 -6.557976 
6.260480 
1 1 1 -12 11  8  o 103.0115 2.573935  2212.240       101.4172 2285.070       
188.5024 2182.570       120.3144 104.1378 4.311512 101.8853 2.812725 2.252464 
5.147870 
1 1 1 -12 11  9  o 126.5687 2.509934  3349.915       117.3501 3418.328       
230.1356 3325.877       136.4182 127.3558 4.304137 125.7816 2.583308 1.574234 
5.019868 
1 1 1 -12 11  10 o 170.8112 2.617692  6081.022       175.4040 6319.855       
311.9604 5970.613       212.1075 173.1465 4.291476 168.4758 2.998745 4.670715 
5.235383 
1 1 1 -12 11  11 o 69.07176 2.538619  1014.600       71.97083 954.2667       
112.5728 1056.309       93.59810 67.29267 3.984618 70.85086 3.146610 -3.558189 
5.077237 
1 1 1 -12 11  12 o 143.5648 2.083030  4303.864       116.7757 4424.594       
208.9742 4249.048       140.8125 144.9599 3.433729 142.1698 2.359146 2.790039 
4.166061 
1 1 1 -12 11  13 o 233.3367 3.283258  11468.59       295.3783 11565.99       
538.0900 11426.58       353.3814 233.7762 5.482461 232.8971 3.614104 0.8791046 
6.566515 
1 1 1 -12 11  14 o 19.02108 5.130182  53.61065       56.13548 54.90368       
88.65852 52.74539       72.52489 19.67880 7.579345 18.36336 6.915822 1.315443 
10.26036 
1 1 1 -12 11  15 o 51.17998 2.996399  554.9644       63.39359 537.9570       
97.84010 567.2706       83.22650 50.47805 4.616740 51.88191 3.820910 -1.403858 
5.992799 
1 1 1 -12 11  16 o 33.85360 4.460703  254.3646       60.40845 214.6767       
93.65488 282.6401       79.05076 31.14429 7.285022 36.56290 5.149753 -5.418615 
8.921407 
1 1 1 -12 11  17 o 64.62646 2.552065  881.8799       69.05827 846.8324       
100.1434 913.6584       95.35845 63.38924 3.762946 65.86368 3.448532 -2.474442 
5.104130 
1 1 1 -12 11  18 o 71.95429 2.582086  1083.397       76.57197 1131.448       
121.5444 1051.776       98.59876 73.24273 3.952677 70.66586 3.323402 2.576874 
5.164171 
1 1 1 -12 11  19 o 152.6154 2.759740  4853.654       165.2377 5089.281       
294.3697 4745.255       199.6603 155.1463 4.519314 150.0845 3.168669 5.061813 
5.519481 
1 1 1 -12 11  20 o 93.51484 2.359635  1826.915       90.69532 1927.838       
145.4734 1762.745       115.9989 95.56818 3.625695 91.46149 3.020903 4.106689 
4.719271 
1 1 1 -12 11  21 o 96.48370 2.571906  1991.991       102.8414 1708.132       
149.9830 2243.883       141.2857 89.85207 3.975896 103.1153 3.263594 -13.26326 
5.143812 
1 1 1 -12 11  22 o 114.0797 2.402748  2715.065       109.9297 2867.460       
187.5521 2635.310       135.6792 116.3832 3.838422 111.7761 2.891247 4.607094 
4.805496 
1 1 1 -12 11  23 o 76.33099 2.669495  1252.316       82.89187 1158.279       
132.0780 1313.425       106.4712 73.83434 4.260821 78.82764 3.217175 -4.993301 
5.338990 
1 1 1 -12 11  24 o 76.09287 2.633581  1212.383       78.97163 1276.744       
139.5442 1182.057       95.78631 77.42204 4.293073 74.76371 3.051642 2.658325 
5.267162 
1 1 1 -12 11  25 o 166.9817 3.669295  5883.957       228.5454 6273.555       
444.5486 5743.990       266.4549 169.7226 6.238796 164.2408 3.864236 5.481735 
7.338590 
1 1 1 -12 11  26 o 168.1660 4.011350  6158.890       282.4200 6162.905       
414.9502 6155.425       385.4803 167.9870 5.883578 168.3450 5.454101 
-0.3580170     8.022699 
1 1 1 -12 11  27 o 121.4252 3.390679  3186.866       172.6459 3053.875       
237.1893 3336.722       251.7798 118.7666 4.756876 124.0839 4.833109 -5.317284 
6.781358 
1 1 1 -12 11  28 o 33.44033 5.733999  268.9490       79.72189 266.8579       
110.2883 271.2373       115.3709 33.36407 7.971111 33.51660 8.244779 
-0.1525345     11.46800 
1 1 1 -12 11  29 o 56.01377 3.698361  696.8544       85.88777 664.4858       
130.1435 721.8292       114.3170 54.60749 5.676639 57.42004 4.742074 -2.812546 
7.396722 
1 1 1 -12 11  30 o 23.12137 5.700047  109.3789       76.09937 9.078328       
110.4797 199.9297       104.9729 17.92878 7.815359 28.31396 8.299539 -10.38518 
11.40009 
1 1 1 -12 11  31 o 20.97156 5.581289  61.96658       77.41750 -59.53981      
110.7665 178.0079       108.2468 15.47245 7.167374 26.47066 8.557565 -10.99821 
11.16258 
1 1 1 -12 11  32 o 22.51829 6.486857  87.85421       99.47331 180.3061       
148.8563 13.25686       133.7122 26.10398 9.886185 18.93259 8.401228 7.171394 
12.97371 
1 1 1 -12 11  33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 12  1  o 88.07376 3.499125  1645.294       123.9749 1607.240       
206.1607 1666.850       155.1655 87.20366 5.631088 88.94386 4.155281 -1.740204 
6.998250 
1 1 1 -12 12  2  o 21.66304 6.098656  53.65110       81.96378 37.09045       
132.9879 63.79503       104.0821 22.02353 9.019958 21.30256 8.210650 0.7209644 
12.19731 
1 1 1 -12 12  3  o 244.1998 5.619105  12437.88       486.6187 13148.78       
1020.712 12228.77       553.5785 247.7932 9.811486 240.6064 5.480157 7.186768 
11.23821 
1 1 1 -12 12  4  o 141.5437 4.692376  4203.688       233.2256 4319.239       
493.0318 4170.376       264.7165 142.4334 8.244877 140.6539 4.482809 1.779480 
9.384752 
1 1 1 -12 12  5  o 185.0180 3.927216  6657.470       173.3603 7962.235       
606.8179 6541.515       180.8997 193.6188 7.465034 176.4171 2.442407 17.20169 
7.854431 
1 1 1 -12 12  6  o 103.8805 3.715938  2183.536       118.3612 2421.153       
304.4085 2141.214       128.4702 106.8650 6.784884 100.8960 3.032840 5.968971 
7.431875 
1 1 1 -12 12  7  o 268.9857 5.377800  15239.17       356.8055 15563.85       
1155.951 15204.98       375.1228 269.1685 10.22907 268.8029 3.323997 0.3656311 
10.75560 
1 1 1 -12 12  8  o 98.11223 2.575956  1933.612       95.63878 2243.031       
185.7102 1821.930       111.5716 103.1499 4.288328 93.07458 2.855247 10.07531 
5.151911 
1 1 1 -12 12  9  o 92.18549 2.497661  1721.598       86.30878 1940.184       
169.2047 1644.723       100.3446 95.93329 4.201111 88.43770 2.702573 7.495590 
4.995322 
1 1 1 -12 12  10 o 76.41731 2.292826  1212.947       72.63807 1328.125       
113.8802 1133.945       94.31512 79.42438 3.415194 73.41024 3.060171 6.014137 
4.585651 
1 1 1 -12 12  11 o 25.75313 4.957735  134.6227       55.88014 208.1769       
88.97376 86.71030       71.80954 30.69055 7.049569 20.81570 6.972812 9.874853 
9.915469 
1 1 1 -12 12  12 o 104.4174 2.492887  2290.697       105.4305 2318.515       
174.1717 2274.610       132.4539 104.8706 3.955894 103.9641 3.034608 0.9065704 
4.985775 
1 1 1 -12 12  13 o 47.71373 3.184201  490.7690       62.16214 425.3615       
95.39230 539.0432       81.95166 44.85672 5.065320 50.57073 3.859931 -5.714012 
6.368401 
1 1 1 -12 12  14 f 217.2610 3.912595  10003.60       341.4438 9945.310       
572.1523 10035.84       425.5219 216.5066 6.294504 218.0155 4.648958 -1.508896 
7.825190 
1 1 1 -12 12  15 o 91.75761 2.468047  1774.917       92.15266 1766.187       
149.8700 1780.225       116.8534 91.53867 3.899699 91.97654 3.026115 
-0.4378662     4.936094 
1 1 1 -12 12  16 o 93.53282 2.371768  1875.828       91.32398 1616.109       
137.1346 2082.794       122.4179 87.57457 3.729839 99.49107 2.930772 -11.91650 
4.743535 
1 1 1 -12 12  17 o 138.0644 2.470423  3995.027       137.1060 4087.285       
231.0878 3944.908       170.3229 139.2189 3.953665 136.9098 2.963191 2.309082 
4.940846 
1 1 1 -12 12  18 o 63.23029 2.581547  868.0699       66.45152 701.7036       
100.5785 996.9491       88.52457 57.65245 4.155358 68.80812 3.064398 -11.15567 
5.163094 
1 1 1 -12 12  19 o 111.0621 2.393291  2615.821       107.3716 2544.657       
176.6829 2657.492       135.2014 109.7880 3.833194 112.3362 2.866703 -2.548225 
4.786581 
1 1 1 -12 12  20 o 240.4540 2.754644  12201.45       239.7102 12261.21       
482.7153 12181.89       276.1679 240.4227 4.782298 240.4854 2.735304 
-0.6266785E-01 5.509289 
1 1 1 -12 12  21 f 50.15041 3.265397  528.9077       67.63786 561.5342       
106.9342 507.1494       87.32591 51.38434 4.956861 48.91649 4.252153 2.467850 
6.530795 
1 1 1 -12 12  22 o 30.53672 5.117762  206.8818       63.75944 226.3680       
100.6661 193.8279       82.39308 31.66274 7.647680 29.41070 6.802861 2.252037 
10.23552 
1 1 1 -12 12  23 o 60.69791 3.002368  793.3377       70.72060 756.2770       
125.3752 810.6323       85.64659 59.49209 5.019651 61.90372 3.295447 -2.411636 
6.004737 
1 1 1 -12 12  24 o 127.2169 3.383315  3371.983       166.6233 3701.016       
306.9348 3234.501       198.4032 131.0667 5.577952 123.3671 3.830631 7.699654 
6.766630 
1 1 1 -12 12  25 o 74.99609 3.076101  1144.810       93.37842 1428.456       
159.9856 998.2541       114.9991 81.58922 4.670562 68.40298 4.004427 13.18624 
6.152202 
1 1 1 -12 12  26 o 14.09073 4.535673  -92.60759      65.96229 15.33756       
88.07491 -230.4964      99.54399 17.03642 7.186621 11.14503 5.535502 5.891390 
9.071345 
1 1 1 -12 12  27 o 67.50772 3.019050  980.3743       85.45944 914.5506       
118.6049 1051.448       123.2443 65.12666 4.337755 69.88878 4.200303 -4.762115 
6.038101 
1 1 1 -12 12  28 o 27.15654 6.038382  176.3521       78.05252 209.9021       
107.9811 139.6417       112.9525 29.43203 8.351125 24.88104 8.723929 4.550993 
12.07676 
1 1 1 -12 12  29 o 37.29588 5.282648  332.2119       79.79512 331.3407       
113.2366 333.0712       112.4621 37.22131 7.509491 37.37045 7.431890 
-0.1491356     10.56530 
1 1 1 -12 12  30 o 43.57459 4.419530  431.2945       80.45761 493.7974       
118.2511 377.4178       109.7881 46.61320 6.042510 40.53597 6.451129 6.077232 
8.839060 
1 1 1 -12 12  31 o 31.39381 5.581499  250.3341       76.97079 346.4978       
109.4398 156.2053       108.2758 37.76221 7.162555 25.02541 8.562144 12.73679 
11.16300 
1 1 1 -12 12  32 o 53.89129 4.119009  657.9417       92.07756 796.6058       
143.8275 561.6420       119.8594 58.56674 5.849409 49.21584 5.800806 9.350906 
8.238018 
1 1 1 -12 12  33 o 34.72202 5.836425  331.3979       83.97601 308.1461       
122.3991 352.0763       115.4273 33.03514 8.702959 36.40889 7.779069 -3.373749 
11.67285 
1 1 1 -12 13  1  o 164.7032 4.336344  5856.478       280.1188 5434.181       
483.5314 6069.797       343.6615 159.8572 7.204662 169.5493 4.827874 -9.692154 
8.672688 
1 1 1 -12 13  2  o 194.7324 6.260937  8128.430       484.7628 8067.403       
828.7110 8160.175       597.6888 193.5732 10.19715 195.8916 7.267423 -2.318344 
12.52187 
1 1 1 -12 13  3  f 63.64571 3.673923  859.0268       89.57520 848.2905       
164.1253 863.5814       106.9002 63.27520 6.178217 64.01621 3.977495 
-0.7410126     7.347845 
1 1 1 -12 13  4  f 102.8301 3.840338  2289.679       133.6090 2143.835       
290.3711 2328.850       150.4860 100.4803 6.883252 105.1800 3.407876 -4.699753 
7.680676 
1 1 1 -12 13  5  o 88.91914 3.087817  1582.010       94.89744 1820.688       
210.8106 1521.353       106.2740 92.79890 5.410914 85.03938 2.976653 7.759521 
6.175634 
1 1 1 -12 13  6  o 69.91263 3.273770  1065.761       80.50725 968.3424       
164.5897 1096.400       92.30302 67.63786 5.796075 72.18741 3.045619 -4.549553 
6.547540 
1 1 1 -12 13  7  o 171.6396 4.847946  6115.534       211.4612 6439.118       
667.8592 6079.479       222.9308 173.3083 9.178817 169.9709 3.124041 3.337418 
9.695891 
1 1 1 -12 13  8  o 60.92131 2.962584  786.2327       71.08608 772.1204       
123.6970 793.1917       86.86209 60.46264 4.872961 61.37998 3.370735 
-0.9173393     5.925167 
1 1 1 -12 13  9  o 32.20678 4.421766  249.3490       55.05047 148.0406       
90.46473 308.9263       69.37405 26.14624 7.717661 38.26733 4.318073 -12.12109 
8.843532 
1 1 1 -12 13  10 o 194.7971 3.178462  8078.765       249.8442 7750.598       
410.5314 8271.812       314.8687 191.4731 5.106928 198.1212 3.785468 -6.648102 
6.356924 
1 1 1 -12 13  11 o 35.11563 4.177304  254.5608       58.90915 352.5979       
93.77500 190.6518       75.71339 40.81625 5.472365 29.41502 6.312899 11.40123 
8.354608 
1 1 1 -12 13  12 o 74.80075 2.514593  1177.221       77.79446 1186.487       
121.1031 1170.711       101.5084 75.02931 3.844549 74.57220 3.242246 0.4571152 
5.029187 
1 1 1 -12 13  13 o 72.62344 2.504413  1102.465       75.64875 1170.406       
116.5063 1052.941       99.46931 74.53036 3.723379 70.71654 3.350343 3.813820 
5.008827 
1 1 1 -12 13  14 o 113.0418 2.108182  2649.508       95.73258 2822.419       
163.0939 2558.616       118.2464 115.7783 3.355303 110.3052 2.553364 5.473053 
4.216364 
1 1 1 -12 13  15 o 59.80724 2.653274  729.5376       64.64565 852.6149       
108.1268 661.0707       80.64639 63.58754 4.050256 56.02693 3.428539 7.560612 
5.306548 
1 1 1 -12 13  16 o 83.25301 2.622999  1490.674       89.74670 1259.416       
134.3914 1676.819       120.5722 77.26458 4.142973 89.24143 3.218116 -11.97685 
5.245998 
1 1 1 -12 13  17 o 209.2434 2.962739  9227.688       245.1111 9285.547       
425.8897 9199.032       299.7265 209.5380 4.841227 208.9488 3.416695 0.5891571 
5.925478 
1 1 1 -12 13  18 o 132.1533 2.308775  3686.127       123.2933 3659.830       
203.8157 3701.304       154.8362 131.7098 3.685875 132.5967 2.781383 
-0.8869324     4.617550 
1 1 1 -12 13  19 o 110.3702 2.581237  2589.376       118.3840 2430.457       
177.3846 2717.007       158.9662 107.2439 3.939713 113.4965 3.336135 -6.252609 
5.162474 
1 1 1 -12 13  20 o 113.7769 2.442690  2744.310       113.1005 2689.682       
183.1399 2777.989       143.7984 112.7721 3.868143 114.7817 2.984026 -2.009605 
4.885380 
1 1 1 -12 13  21 o 89.60211 2.468431  1682.586       90.10385 1756.111       
147.7467 1639.048       113.6937 91.07776 3.863906 88.12646 3.072918 2.951302 
4.936862 
1 1 1 -12 13  22 o 219.3210 3.370313  10222.82       301.6479 10352.27       
488.7295 10143.16       383.3859 220.0681 5.289718 218.5739 4.177908 1.494186 
6.740625 
1 1 1 -12 13  23 o 75.04453 3.012382  1190.438       91.14577 1227.619       
152.7461 1169.878       113.5838 75.81071 4.799109 74.27836 3.642297 1.532349 
6.024763 
1 1 1 -12 13  24 o 93.45667 2.637571  1805.247       96.83379 2002.455       
174.1008 1716.913       116.5195 96.86417 4.281132 90.04917 3.082051 6.815002 
5.275142 
1 1 1 -12 13  25 o 54.21267 3.641924  610.9486       80.38724 733.0835       
135.0045 543.8590       100.0589 58.13580 5.531279 50.28955 4.739136 7.846245 
7.283849 
1 1 1 -12 13  26 o 20.42924 5.603661  52.13461       72.84382 123.6731       
105.1107 -13.97411      101.0431 24.04753 8.417174 16.81094 7.399678 7.236593 
11.20732 
1 1 1 -12 13  27 o 22.75980 5.773391  94.98260       75.79092 15.09484       
107.4067 174.2129       106.9638 18.35330 7.846298 27.16630 8.471352 -8.813005 
11.54678 
1 1 1 -12 13  28 o 20.24460 5.773300  49.29691       77.83231 -3.531225      
107.2892 107.9839       113.0822 17.46745 7.657115 23.02175 8.642486 -5.554306 
11.54660 
1 1 1 -12 13  29 o 18.27886 5.510794  14.48910       76.48113 64.33870       
107.9982 -35.66152      108.3238 20.30661 8.196827 16.25111 7.367999 4.055496 
11.02159 
1 1 1 -12 13  30 o 42.49475 4.326894  415.1616       76.39059 443.7639       
103.7036 381.2293       112.9533 44.40336 5.562871 40.58614 6.628914 3.817215 
8.653788 
1 1 1 -12 13  31 o 65.72874 3.397453  962.9766       93.74748 963.4760       
133.3337 962.4880       131.8369 65.72370 4.832136 65.73378 4.777154 
-0.1007843E-01 6.794906 
1 1 1 -12 13  32 o 37.26530 5.236768  352.9765       79.35904 304.8469       
119.4714 390.9817       106.1646 33.83697 8.430933 40.69364 6.214044 -6.856670 
10.47354 
1 1 1 -12 13  33 o 29.61305 6.528618  253.9120       88.55797 306.9495       
140.3447 218.8232       114.1534 31.69831 9.667404 27.52780 8.776829 4.170515 
13.05724 
1 1 1 -12 14  1  o 43.43067 5.117056  383.6406       88.62512 551.6266       
145.9381 285.4943       111.5499 50.93835 6.824091 35.92299 7.626849 15.01536 
10.23411 
1 1 1 -12 14  2  o 135.6328 3.371324  3895.250       179.9497 3857.594       
314.2489 3913.623       219.5015 134.9968 5.544613 136.2688 3.836739 -1.271957 
6.742648 
1 1 1 -12 14  3  o 35.79408 5.573888  314.3737       80.45361 167.0277       
139.1487 388.3667       98.60645 28.74946 9.706364 42.83868 5.482647 -14.08922 
11.14778 
1 1 1 -12 14  4  o 156.6759 4.778633  5007.383       231.3557 5533.149       
587.9081 4911.043       251.6611 160.7148 8.713142 152.6371 3.927147 8.077652 
9.557266 
1 1 1 -12 14  5  o 60.72257 3.734859  812.9283       81.08127 715.9492       
160.4570 846.1825       93.95986 58.06152 6.582507 63.38363 3.530908 -5.322109 
7.469719 
1 1 1 -12 14  6  o 147.6145 3.341107  4431.726       136.0822 4832.288       
395.3492 4377.889       144.9389 150.9276 6.239261 144.3015 2.392409 6.626190 
6.682215 
1 1 1 -12 14  7  o 117.7928 3.230029  2772.246       119.4846 3171.636       
300.5224 2697.258       130.2195 122.3477 5.850621 113.2380 2.739082 9.109749 
6.460057 
1 1 1 -12 14  8  o 118.2126 2.684379  2880.660       118.5709 3086.680       
231.0075 2806.969       138.1587 120.9176 4.550485 115.5076 2.848974 5.409950 
5.368759 
1 1 1 -12 14  9  o 83.46821 2.482799  1398.418       83.04799 1698.203       
145.5413 1253.681       101.1278 89.75950 3.862131 77.17692 3.121076 12.58258 
4.965599 
1 1 1 -12 14  10 o 94.07916 2.411803  1826.907       91.42342 1993.204       
155.4454 1738.963       113.0415 97.25066 3.807205 90.90767 2.961817 6.342995 
4.823606 
1 1 1 -12 14  11 o 89.49364 2.350745  1688.270       86.47585 1676.400       
136.7576 1696.178       111.6250 89.20370 3.651655 89.78359 2.961321 
-0.5798950     4.701490 
1 1 1 -12 14  12 o 105.4141 2.241652  2361.827       96.87649 2226.494       
152.1531 2454.094       125.6328 102.8160 3.524853 108.0122 2.770457 -5.196129 
4.483305 
1 1 1 -12 14  13 o 262.0160 2.832823  14353.13       264.1353 14703.22       
548.0134 14247.20       301.4630 263.7811 4.948442 260.2509 2.759071 3.530273 
5.665647 
1 1 1 -12 14  14 o 108.7306 2.159604  2501.631       96.04657 2426.828       
153.0779 2550.199       123.3472 107.3495 3.396515 110.1117 2.668192 -2.762192 
4.319208 
1 1 1 -12 14  15 f 72.29018 2.582707  1073.418       76.83504 1240.193       
124.4390 970.6602       97.67885 76.69656 3.864574 67.88380 3.427326 8.812759 
5.165413 
1 1 1 -12 14  16 o 132.6029 2.315827  3664.776       124.0283 3844.359       
207.9917 3565.681       154.5039 135.0400 3.668636 130.1658 2.827246 4.874191 
4.631653 
1 1 1 -12 14  17 o 75.95221 2.381901  1230.985       74.53150 1127.504       
114.2617 1307.622       98.33023 73.10502 3.722841 78.79940 2.972249 -5.694382 
4.763802 
1 1 1 -12 14  18 o 102.4470 2.165654  2225.871       92.26969 2093.478       
137.8861 2333.231       124.1675 99.63916 3.296184 105.2548 2.809876 -5.615669 
4.331308 
1 1 1 -12 14  19 o 120.8105 2.881567  3091.029       138.6250 3079.245       
236.7610 3097.177       171.0010 120.4825 4.680664 121.1385 3.362307 
-0.6560669     5.763135 
1 1 1 -12 14  20 o 70.00920 2.694473  1033.268       78.43771 1063.735       
120.2543 1010.707       103.4811 70.86967 4.041675 69.14872 3.564493 1.720955 
5.388947 
1 1 1 -12 14  21 o 51.92595 3.192172  565.2401       68.76400 623.1699       
107.5912 525.2363       89.40785 54.11165 4.735949 49.74025 4.281430 4.371407 
6.384345 
1 1 1 -12 14  22 o 200.0111 3.998320  8614.357       318.4434 8500.137       
541.7028 8674.673       393.6429 198.2762 6.507462 201.7460 4.647491 -3.469818 
7.996639 
1 1 1 -12 14  23 o 79.37534 3.148140  1336.743       99.81256 1368.972       
170.4082 1319.912       123.1480 79.90606 5.079628 78.84463 3.720286 1.061432 
6.296280 
1 1 1 -12 14  24 o 25.54644 5.745791  144.0057       67.40359 144.7039       
113.8702 143.6291       83.62867 25.87980 8.780555 25.21309 7.413388 0.6667061 
11.49158 
1 1 1 -12 14  25 o 61.36210 3.585849  827.9617       88.07104 764.4262       
145.3059 864.8565       110.7279 59.17369 5.848921 63.55051 4.150106 -4.376816 
7.171698 
1 1 1 -12 14  26 o 174.1711 3.864892  6635.552       281.2780 6547.867       
416.6174 6709.001       381.2992 172.7551 5.744175 175.5871 5.172428 -2.832031 
7.729784 
1 1 1 -12 14  27 o 52.05053 3.873321  594.1949       84.39884 618.4575       
125.0551 573.8997       114.3747 52.95887 5.624498 51.14219 5.326865 1.816673 
7.746643 
1 1 1 -12 14  28 o 55.84308 3.654392  686.3605       85.43092 620.2767       
119.0842 756.4369       122.6289 52.97929 5.353886 58.70687 4.975364 -5.727581 
7.308785 
1 1 1 -12 14  29 o 19.04041 5.657863  34.73395       77.42245 6.353878       
109.2849 63.33008       109.7001 17.79661 7.765215 20.28420 8.230862 -2.487591 
11.31573 
1 1 1 -12 14  30 o 32.41629 5.793493  263.6242       79.88628 327.1065       
116.1841 206.6990       110.0203 36.34393 7.837824 28.48866 8.533859 7.855270 
11.58699 
1 1 1 -12 14  31 o 51.07515 3.882461  594.1958       83.13576 616.5532       
116.3389 570.8650       118.8445 52.18604 5.309968 49.96427 5.665532 2.221764 
7.764921 
1 1 1 -12 14  32 f 29.15687 6.132370  231.2792       81.47545 279.0006       
118.6468 188.6935       112.0808 31.98875 8.633499 26.32499 8.711288 5.663754 
12.26474 
1 1 1 -12 14  33 o 17.49694 5.442899  28.16933       77.20237 8.666700       
120.2551 41.84287       100.6925 17.36835 7.824582 17.62553 7.568125 
-0.2571754     10.88580 
1 1 1 -12 15  1  o 32.32611 5.949599  238.4696       80.63806 189.8409       
133.6155 266.3278       101.1317 29.89989 9.491783 34.75234 7.176139 -4.852449 
11.89920 
1 1 1 -12 15  2  o 82.78052 3.622974  1466.985       120.3504 1384.281       
199.2859 1514.463       150.9942 80.82909 5.872594 84.73195 4.244573 -3.902863 
7.245948 
1 1 1 -12 15  3  o 150.6371 4.693531  4847.617       271.6947 4751.487       
493.7879 4889.356       325.3765 149.1938 7.883346 152.0804 5.096056 -2.886505 
9.387062 
1 1 1 -12 15  4  o 114.0364 3.901591  2645.968       149.5221 2933.515       
341.8820 2577.958       166.2665 117.4470 6.933543 110.6257 3.579891 6.821312 
7.803181 
1 1 1 -12 15  5  o 188.3930 5.386770  7165.101       303.6716 8162.988       
807.6676 7000.808       327.7177 194.6210 9.884710 182.1650 4.285051 12.45604 
10.77354 
1 1 1 -12 15  6  o 23.14011 5.670815  108.2159       63.93059 25.92248       
137.5751 130.8809       72.19958 21.82792 9.081797 24.45229 6.793639 -2.624365 
11.34163 
1 1 1 -12 15  7  o 296.7129 7.803098  18540.55       674.4094 19873.43       
1816.529 18327.46       726.3210 299.3236 14.45514 294.1021 5.882359 5.221497 
15.60620 
1 1 1 -12 15  8  f 73.60036 2.699768  1131.147       79.84509 1177.418       
135.2273 1106.382       98.93163 74.70556 4.311540 72.49516 3.250478 2.210403 
5.399536 
1 1 1 -12 15  9  o 55.22604 2.969292  627.5090       67.38858 718.9009       
109.5595 571.8903       85.46864 58.36379 4.471238 52.08828 3.908299 6.275513 
5.938583 
1 1 1 -12 15  10 o 89.02142 2.629723  1656.587       93.53286 1712.424       
160.1373 1627.674       115.2313 90.10213 4.233295 87.94071 3.121055 2.161415 
5.259446 
1 1 1 -12 15  11 o 97.56053 2.345942  1922.115       91.55126 2270.956       
160.4912 1753.844       111.4662 103.8205 3.682046 91.30059 2.907976 12.51989 
4.691885 
1 1 1 -12 15  12 o 63.21253 2.433055  829.2045       64.01463 937.4038       
98.77081 750.8370       84.05898 66.71089 3.526574 59.71416 3.352956 6.996727 
4.866111 
1 1 1 -12 15  13 o 89.79492 2.153082  1709.797       80.20367 1603.787       
120.9911 1792.895       107.1214 87.27261 3.302147 92.31722 2.763851 -5.044609 
4.306164 
1 1 1 -12 15  14 o 60.05284 2.669189  768.7566       66.12711 708.6794       
101.1482 813.6008       87.38903 57.95377 4.157167 62.15191 3.349064 -4.198135 
5.338377 
1 1 1 -12 15  15 o 88.98822 2.168541  1672.298       80.71198 1599.317       
117.7942 1736.884       110.8133 87.13886 3.219832 90.83757 2.905678 -3.698708 
4.337082 
1 1 1 -12 15  16 o 85.15154 2.598740  1528.225       91.11526 1536.609       
143.7976 1522.600       117.7760 85.30596 4.015072 84.99711 3.300455 0.3088531 
5.197480 
1 1 1 -12 15  17 o 65.05515 2.519854  889.6288       67.51456 910.6921       
106.9256 875.6634       87.06565 65.66159 3.878747 64.44871 3.217761 1.212883 
5.039709 
1 1 1 -12 15  18 o 65.94223 2.787574  934.5878       75.47053 835.0085       
115.8938 1007.909       99.44690 62.78357 4.396787 69.10088 3.427905 -6.317314 
5.575147 
1 1 1 -12 15  19 o 117.1208 2.782959  2916.464       133.2077 2844.262       
213.0026 2962.840       170.7090 115.8101 4.380863 118.4315 3.433290 -2.621399 
5.565917 
1 1 1 -12 15  20 o 41.79280 3.940152  385.0166       66.66676 317.5753       
103.1283 433.4322       87.37902 38.43064 6.391770 45.15495 4.609171 -6.724308 
7.880303 
1 1 1 -12 15  21 o 157.8431 3.310741  5313.644       217.3576 5258.600       
329.6084 5356.000       289.1334 156.9566 5.001956 158.7297 4.338716 -1.773132 
6.621482 
1 1 1 -12 15  22 o 68.36693 3.332056  987.0058       92.91097 1044.375       
152.2557 952.9672       117.2786 69.80742 5.195089 66.92644 4.173901 2.880981 
6.664113 
1 1 1 -12 15  23 o 63.05156 3.367526  861.4600       85.63474 814.9581       
140.0934 889.2007       108.2035 61.48659 5.426980 64.61653 3.988585 -3.129940 
6.735052 
1 1 1 -12 15  24 o 19.60466 5.694496  31.06501       72.87537 75.73002       
121.3371 5.861938       91.14577 22.29925 8.800936 16.91007 7.228601 5.389175 
11.38899 
1 1 1 -12 15  25 o 103.9350 3.223030  2299.980       131.8667 2404.732       
232.7560 2250.465       160.0263 105.2134 5.269275 102.6565 3.713008 2.556839 
6.446060 
1 1 1 -12 15  26 o 51.67081 3.850236  583.5768       82.56149 592.6335       
127.0061 576.9487       108.6502 51.85865 5.833435 51.48296 5.026760 0.3756905 
7.700472 
1 1 1 -12 15  27 o 30.69079 5.710108  227.2208       74.59212 236.5395       
106.1064 218.1159       104.8827 31.32422 8.030828 30.05735 8.119553 1.266867 
11.42022 
1 1 1 -12 15  28 o 66.37381 3.160762  962.2580       87.51411 832.5402       
122.5946 1097.045       124.9668 61.65211 4.736358 71.09552 4.186715 -9.443413 
6.321524 
1 1 1 -12 15  29 f 21.85690 5.710826  100.1607       69.88267 74.17217       
95.69162 129.8608       102.2967 20.08912 7.845809 23.62467 8.300447 -3.535549 
11.42165 
1 1 1 -12 15  30 o 16.81918 5.294721  -9.232382      75.44354 -25.96740      
110.4904 5.384766       103.2625 16.50299 7.463859 17.13538 7.511796 
-0.6323833     10.58944 
1 1 1 -12 15  31 o 45.35054 4.577341  488.5884       86.06229 438.7220       
126.7164 531.2859       117.2545 42.70899 7.066991 47.99209 5.819437 -5.283100 
9.154682 
1 1 1 -12 15  32 o 21.93182 5.795580  100.1206       81.06866 -12.02920      
116.9883 203.7262       112.4436 16.81966 7.636783 27.04397 8.719779 -10.22431 
11.59116 
1 1 1 -12 15  33 o 23.75517 5.985912  131.0791       79.37937 267.3279       
127.5319 44.91149       101.4203 29.76090 9.243953 17.74944 7.607491 12.01146 
11.97182 
1 1 1 -12 16  1  o 49.47779 4.443733  524.2007       88.81651 501.4143       
145.3748 537.7712       112.1888 48.53535 7.134311 50.42023 5.299874 -1.884888 
8.887466 
1 1 1 -12 16  2  o 171.6032 4.871341  6109.966       316.3832 6614.868       
604.3964 5919.392       371.3225 175.9177 8.183393 167.2887 5.286958 8.629044 
9.742682 
1 1 1 -12 16  3  o 192.7451 4.884606  7965.311       346.4223 7760.050       
674.2852 8038.918       403.7874 190.4398 8.433482 195.0503 4.930911 -4.610504 
9.769212 
1 1 1 -12 16  4  o 57.88647 3.748873  699.2777       79.70477 728.4516       
158.3583 689.3797       92.24015 58.58044 6.438865 57.19250 3.841510 1.387936 
7.497745 
1 1 1 -12 16  5  o 140.9909 4.493268  3886.008       191.8150 4718.260       
510.9925 3749.502       206.9488 148.5800 8.191724 133.4019 3.695065 15.17810 
8.986537 
1 1 1 -12 16  6  o 143.0365 4.744121  4150.992       182.5721 4610.209       
547.4675 4093.531       193.6580 146.6347 8.892886 139.4384 3.308066 7.196304 
9.488241 
1 1 1 -12 16  7  o 52.73800 3.999951  604.2816       73.27745 561.3002       
153.2495 617.0213       83.43348 51.35912 7.107266 54.11687 3.672220 -2.757748 
7.999902 
1 1 1 -12 16  8  o 136.6925 2.396852  3937.512       125.3295 3927.330       
230.9027 3941.765       149.2241 136.4789 4.029810 136.9060 2.596196 
-0.4270935     4.793705 
1 1 1 -12 16  9  o 125.0414 2.093875  3274.468       106.0097 3348.567       
175.7203 3232.067       132.9234 126.1098 3.318900 123.9729 2.553850 2.136864 
4.187750 
1 1 1 -12 16  10 o 111.5416 2.584699  2611.671       113.7968 2650.098       
198.8371 2592.954       138.7704 112.0797 4.225631 111.0034 2.977705 1.076332 
5.169399 
1 1 1 -12 16  11 o 118.2569 2.654722  2869.963       123.6669 3169.780       
221.1191 2733.498       149.1795 122.5592 4.297356 113.9546 3.118161 8.604645 
5.309443 
1 1 1 -12 16  12 o 176.5360 2.395214  6591.941       171.1989 6458.772       
280.7569 6670.766       216.0038 175.0291 3.820687 178.0430 2.889732 -3.013947 
4.790428 
1 1 1 -12 16  13 o 138.0923 2.341042  4042.007       131.4573 3913.115       
212.6185 4121.768       167.2570 136.2372 3.717290 139.9474 2.846692 -3.710236 
4.682083 
1 1 1 -12 16  14 o 29.62302 4.669071  185.9958       56.26524 252.5311       
89.10905 141.8803       72.55901 33.89675 6.493180 25.34929 6.711147 8.547461 
9.338141 
1 1 1 -12 16  15 o 28.76332 5.331702  180.6954       64.41346 205.6199       
100.7065 163.4387       83.79586 30.37270 7.844769 27.15395 7.222726 3.218756 
10.66340 
1 1 1 -12 16  16 o 164.5874 2.547194  5706.657       165.8775 5751.391       
287.9228 5684.433       202.9414 164.9190 4.158402 164.2558 2.942870 0.6632080 
5.094388 
1 1 1 -12 16  17 o 34.65131 4.693195  275.1833       64.60390 204.5162       
100.5649 324.8398       84.29957 30.21024 7.856352 39.09238 5.136347 -8.882133 
9.386391 
1 1 1 -12 16  18 f 62.53661 2.940164  818.4063       75.87318 881.8697       
120.6477 776.8860       97.58602 64.47511 4.457054 60.59811 3.835744 3.877007 
5.880329 
1 1 1 -12 16  19 o 99.17257 2.344767  2084.874       96.33634 2033.332       
147.7945 2122.950       127.0311 98.04839 3.590366 100.2967 3.016785 -2.248352 
4.689533 
1 1 1 -12 16  20 o 107.8624 2.491931  2446.535       110.3588 2536.214       
176.8696 2389.363       141.2214 109.3858 3.851355 106.3390 3.163218 3.046783 
4.983862 
1 1 1 -12 16  21 o 36.72831 5.422415  303.4210       79.57301 315.2261       
126.2922 295.6491       102.4715 37.13031 8.310477 36.32632 6.967519 0.8039894 
10.84483 
1 1 1 -12 16  22 o 135.1401 3.399611  3931.048       188.4608 3808.318       
297.4558 4013.352       243.5899 133.0683 5.324379 137.2119 4.228521 -4.143661 
6.799221 
1 1 1 -12 16  23 o 116.9886 2.813482  2903.779       133.6303 2978.377       
219.9960 2860.163       168.2197 117.9462 4.442750 116.0310 3.453216 1.915169 
5.626965 
1 1 1 -12 16  24 o 99.90643 3.195632  2055.910       123.0375 2375.442       
230.8697 1929.159       145.4070 104.6883 5.252789 95.12459 3.640941 9.563690 
6.391263 
1 1 1 -12 16  25 o 91.92756 3.023976  1713.499       109.3119 2121.850       
199.9786 1539.497       130.5400 98.98975 4.811875 84.86536 3.663821 14.12439 
6.047952 
1 1 1 -12 16  26 o 47.04107 3.865264  493.6662       74.60525 442.9563       
114.4807 531.1002       98.36014 44.64704 6.107462 49.43510 4.739197 -4.788067 
7.730529 
1 1 1 -12 16  27 o 107.2355 2.500557  2468.691       112.5517 2427.792       
159.9401 2508.815       158.4151 106.3241 3.582998 108.1469 3.489022 -1.822716 
5.001115 
1 1 1 -12 16  28 o 19.52605 5.716573  47.63306       76.35627 51.16320       
111.7409 44.54075       104.5823 19.88556 8.223625 19.16655 7.942847 0.7190075 
11.43315 
1 1 1 -12 16  29 o 20.17789 5.663359  60.68162       71.99350 120.4260       
112.4102 19.13325       93.74193 23.21800 8.636379 17.13778 7.328539 6.080227 
11.32672 
1 1 1 -12 16  30 o 22.05745 5.958954  103.2740       77.09990 133.3398       
113.2708 77.31905       105.2427 23.69422 8.692719 20.42067 8.153107 3.273546 
11.91791 
1 1 1 -12 16  31 o 25.19191 5.789181  164.5690       70.02441 164.7440       
100.5631 164.4043       97.56392 25.18749 8.251563 25.19633 8.122203 
-0.8842468E-02 11.57836 
1 1 1 -12 16  32 f 59.72754 3.928277  835.7878       97.81765 969.3115       
142.2625 716.0547       134.7159 64.58438 5.246674 54.87069 5.847893 9.713692 
7.856554 
1 1 1 -12 17  1  o 137.3221 7.905360  4034.698       455.7649 0.000000       
0.000000 4034.698       455.7649 ?        ?        137.3221 7.905360 ? ? 
1 1 1 -12 17  2  o 130.8144 3.979818  3688.844       210.8735 3369.016       
338.3109 3892.056       269.6687 125.9174 6.399580 135.7114 4.732986 -9.794022 
7.959635 
1 1 1 -12 17  3  o 77.48299 3.738500  1281.532       119.5191 1205.992       
183.9090 1336.761       157.2546 75.42421 5.807821 79.54176 4.709005 -4.117554 
7.476999 
1 1 1 -12 17  4  o 149.7029 3.675335  4741.006       183.3376 4741.643       
413.5175 4740.850       204.5396 149.3542 6.594736 150.0516 3.246817 
-0.6973267     7.350671 
1 1 1 -12 17  5  o 78.55820 3.674224  1301.600       102.1938 1313.009       
212.6194 1298.172       116.5376 78.61828 6.441699 78.49812 3.536127 0.1201553 
7.348447 
1 1 1 -12 17  6  o 106.8174 3.630174  2333.584       122.9602 2537.357       
301.7487 2293.010       134.6464 109.2620 6.578054 104.3727 3.072760 4.889221 
7.260348 
1 1 1 -12 17  7  o 89.88014 3.100355  1707.475       98.69221 1701.140       
204.6909 1709.393       112.6511 89.63683 5.439177 90.12345 2.977273 
-0.4866257     6.200709 
1 1 1 -12 17  8  o 99.32341 2.820719  1929.384       98.10497 2361.237       
216.8327 1818.226       110.0088 105.6877 4.886767 92.95916 2.818748 12.72849 
5.641439 
1 1 1 -12 17  9  o 28.61356 5.252434  186.8858       63.02827 145.8539       
104.6467 210.2439       78.95580 26.31198 8.404857 30.91513 6.301636 -4.603153 
10.50487 
1 1 1 -12 17  10 o 210.6764 2.962368  9287.831       226.3569 9527.589       
456.8036 9209.802       260.6013 212.1787 5.128009 209.1741 2.967493 3.004608 
5.924736 
1 1 1 -12 17  11 o 53.35036 3.242542  611.1127       71.03645 548.3951       
109.2080 657.1118       93.52654 50.89596 5.110841 55.80478 3.991945 -4.908817 
6.485084 
1 1 1 -12 17  12 o 153.0313 2.484844  4912.645       148.4887 5003.655       
265.0591 4871.019       179.2582 153.9407 4.101193 152.1219 2.806780 1.818848 
4.969688 
1 1 1 -12 17  13 o 62.85323 2.850434  846.4728       73.92806 752.9156       
111.5060 919.8524       98.75212 59.66736 4.451254 66.03911 3.561774 -6.371746 
5.700868 
1 1 1 -12 17  14 f 125.2839 2.097963  3300.612       106.7446 3330.884       
175.0708 3282.698       134.6739 125.6840 3.317834 124.8838 2.568612 0.8002548 
4.195926 
1 1 1 -12 17  15 o 83.09655 2.574526  1443.248       86.83002 1515.578       
143.9189 1401.852       108.8785 84.65854 4.049189 81.53456 3.180692 3.123978 
5.149051 
1 1 1 -12 17  16 o 136.8383 2.846294  3993.852       160.6650 3778.160       
247.8177 4150.247       211.0214 133.5133 4.421086 140.1633 3.586024 -6.650055 
5.692589 
1 1 1 -12 17  17 o 104.5900 2.199804  2255.602       90.89465 2463.175       
161.1964 2158.835       110.0606 107.9532 3.556648 101.2267 2.589749 6.726448 
4.399607 
1 1 1 -12 17  18 o 97.41731 2.301859  1953.110       90.19397 2181.940       
154.6458 1835.145       111.0343 101.5569 3.627018 93.27773 2.835307 8.279167 
4.603719 
1 1 1 -12 17  19 o 32.65399 4.837350  254.8195       64.45728 147.0184       
100.4380 330.3095       84.04871 25.97346 8.227784 39.33453 5.089536 -13.36107 
9.674700 
1 1 1 -12 17  20 o 54.51691 3.969156  673.8510       85.59942 487.5557       
132.3643 807.7691       112.2250 47.42727 6.647585 61.60655 4.338941 -14.17928 
7.938312 
1 1 1 -12 17  21 o 112.9636 3.175050  2663.770       145.1824 2949.674       
244.6849 2508.424       180.3624 117.3265 4.967435 108.6007 3.955800 8.725708 
6.350100 
1 1 1 -12 17  22 f 50.92094 4.230439  582.7388       86.76801 471.2198       
134.5227 662.1879       113.5444 46.31360 6.918439 55.52827 4.870489 -9.214664 
8.460878 
1 1 1 -12 17  23 f 42.21077 4.116865  366.3490       70.61863 483.2643       
119.7100 303.9466       87.45712 47.01730 6.064483 37.40424 5.569233 9.613060 
8.233730 
1 1 1 -12 17  24 o 36.85646 5.279190  301.4661       76.44234 370.1270       
128.6209 263.9690       95.05075 39.81712 7.975646 33.89581 6.918705 5.921303 
10.55838 
1 1 1 -12 17  25 o 79.19560 3.009669  1327.629       96.87055 1448.472       
161.1133 1259.208       121.2314 81.74281 4.694646 76.64841 3.767323 5.094398 
6.019338 
1 1 1 -12 17  26 o 32.27677 5.273228  249.4314       69.84406 226.3516       
104.8723 267.8280       93.62985 30.63472 8.048988 33.91883 6.814800 -3.284109 
10.54646 
1 1 1 -12 17  27 o 47.84818 4.439993  528.3183       83.45233 371.1180       
116.7002 692.8333       119.3844 39.61258 7.290164 56.08379 5.070273 -16.47121 
8.879987 
1 1 1 -12 17  28 o 51.60268 4.026393  599.1619       87.05688 578.0052       
125.4708 618.8022       120.8910 50.59386 5.906984 52.61152 5.473109 -2.017658 
8.052787 
1 1 1 -12 17  29 o 49.32752 4.153127  551.8101       85.76621 611.8340       
125.2891 498.8788       117.6541 51.92377 5.747355 46.73127 5.996814 5.192505 
8.306254 
1 1 1 -12 17  30 o 97.81473 2.725311  2089.143       107.6495 2101.021       
178.2399 2082.322       135.0656 97.49432 4.354584 98.13514 3.278244 
-0.6408234     5.450623 
1 1 1 -12 17  31 o 24.04024 5.914264  147.2370       79.13689 63.64765       
118.6679 214.1845       106.2001 19.85833 8.357757 28.22215 8.370302 -8.363823 
11.82853 
1 1 1 -12 17  32 o 68.16283 3.584718  1084.188       101.8203 993.5938       
148.1983 1165.189       140.1314 64.96555 5.433517 71.36010 4.677362 -6.394554 
7.169437 
1 1 1 -12 18  1  o 26.51504 6.747257  112.8558       91.03310 195.1571       
163.2059 75.68608       109.6799 30.84283 10.51199 22.18725 8.461678 8.655575 
13.49451 
1 1 1 -12 18  2  o 66.89804 4.219877  981.5842       112.7472 844.0303       
183.0990 1065.597       143.0940 62.85107 6.938960 70.94501 4.804194 -8.093941 
8.439754 
1 1 1 -12 18  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 18  4  o 42.28390 6.053233  441.4744       101.4983 229.5155       
164.9426 570.6487       128.7642 32.74442 10.56131 51.82338 5.918211 -19.07896 
12.10647 
1 1 1 -12 18  5  o 78.50519 3.743779  1193.979       101.2567 1509.589       
230.3351 1118.376       112.7341 84.18938 6.516643 72.82100 3.687396 11.36838 
7.487558 
1 1 1 -12 18  6  o 117.8706 3.883267  2883.507       133.5083 3035.802       
359.7949 2859.188       143.7729 119.2065 7.189129 116.5347 2.938616 2.671761 
7.766534 
1 1 1 -12 18  7  o 115.4500 3.467641  2728.225       129.7949 2970.170       
309.6999 2676.675       142.9552 118.1570 6.243134 112.7430 3.020170 5.414009 
6.935283 
1 1 1 -12 18  8  o 235.5076 5.516678  11617.23       379.4317 12282.81       
1018.779 11510.04       408.8452 237.5686 10.21438 233.4465 4.171504 4.122192 
11.03336 
1 1 1 -12 18  9  o 252.4901 3.569010  13284.98       332.2940 13973.02       
657.5421 13048.99       385.0854 256.2693 6.111502 248.7108 3.687937 7.558533 
7.138021 
1 1 1 -12 18  10 o 128.2565 2.774140  3436.366       139.9190 3578.123       
247.7250 3369.959       169.5542 130.0531 4.537014 126.4598 3.193574 3.593285 
5.548280 
1 1 1 -12 18  11 o 22.17138 5.239016  97.62090       61.15970 29.55505       
96.28876 143.6524       79.18418 18.81565 7.685462 25.52710 7.121995 -6.711458 
10.47803 
1 1 1 -12 18  12 o 57.72012 2.957462  697.6441       70.89634 749.8589       
110.0685 660.6212       92.68321 59.52489 4.404386 55.91534 3.948127 3.609543 
5.914924 
1 1 1 -12 18  13 o 148.2564 2.825283  4627.207       168.7728 4718.569       
282.6477 4576.582       210.3989 149.2431 4.510993 147.2697 3.402914 1.973389 
5.650565 
1 1 1 -12 18  14 o 87.87367 2.350221  1650.096       85.35967 1488.533       
128.7028 1776.974       114.0540 83.93656 3.652228 91.81079 2.958951 -7.874229 
4.700442 
1 1 1 -12 18  15 o 145.3976 2.422179  4403.455       137.6501 4633.751       
247.1471 4299.892       165.7353 147.9600 3.978618 142.8351 2.763765 5.124893 
4.844357 
1 1 1 -12 18  16 o 77.98824 2.614805  1285.020       84.52066 1296.448       
130.6063 1276.785       110.8656 78.23965 3.976109 77.73682 3.396965 0.5028305 
5.229609 
1 1 1 -12 18  17 o 24.77727 4.461348  126.3624       63.44886 -72.48386      
101.3477 254.5337       81.36744 15.06504 6.930917 34.48951 5.619332 -19.42447 
8.922696 
1 1 1 -12 18  18 o 45.12506 3.731973  452.2416       67.74342 357.1915       
104.6393 520.8244       88.88452 40.74220 6.117466 49.50792 4.276342 -8.765728 
7.463946 
1 1 1 -12 18  19 o 22.95023 6.140242  81.04481       80.75662 131.2044       
127.5064 47.44637       104.3553 25.79106 9.246079 20.10940 8.082098 5.681652 
12.28048 
1 1 1 -12 18  20 o 93.42049 3.325732  1880.733       128.5495 1769.169       
195.7749 1965.292       170.4398 90.80176 5.135514 96.03922 4.227110 -5.237465 
6.651463 
1 1 1 -12 18  21 o 56.85143 3.798293  674.7672       89.04362 825.4798       
143.3156 580.0084       113.6393 61.81115 5.522652 51.89170 5.216169 9.919449 
7.596585 
1 1 1 -12 18  22 o 57.52995 3.803516  733.5313       89.50147 609.0712       
134.5542 832.2989       119.8641 52.80763 6.069062 62.25227 4.586219 -9.444633 
7.607031 
1 1 1 -12 18  23 o 28.24653 5.796587  179.6402       69.54498 209.4112       
121.3501 165.0804       84.86373 29.78665 8.970558 26.70641 7.343755 3.080233 
11.59317 
1 1 1 -12 18  24 o 36.84249 5.220571  274.0355       77.40560 496.5132       
135.0947 165.2983       94.44611 47.09292 6.832879 26.59205 7.894885 20.50086 
10.44114 
1 1 1 -12 18  25 o 55.45580 3.710184  659.6850       82.75615 725.8426       
141.1634 625.0414       102.1511 57.22828 5.875332 53.68332 4.532364 3.544968 
7.420367 
1 1 1 -12 18  26 o 25.56586 6.135086  151.4776       77.51047 164.1738       
122.3329 142.9622       100.1869 26.38242 9.095249 24.74930 8.236114 1.633125 
12.27017 
1 1 1 -12 18  27 o 42.09398 4.815053  410.8590       82.10675 494.2471       
119.1760 335.5163       113.2811 46.78571 6.067316 37.40225 7.478411 9.383461 
9.630107 
1 1 1 -12 18  28 o 19.73494 5.725072  48.63763       77.32845 99.17666       
113.1790 4.389275       105.9013 22.08579 8.551689 17.38409 7.614093 4.701694 
11.45014 
1 1 1 -12 18  29 o 40.47282 4.498465  383.4556       74.44716 342.3479       
104.0380 426.5937       106.5763 37.76638 6.810407 43.17926 5.879040 -5.412884 
8.996930 
1 1 1 -12 18  30 o 24.81263 6.042450  158.6166       79.05387 104.4140       
119.7539 200.4804       105.2443 22.00851 8.725232 27.61674 8.361528 -5.608236 
12.08490 
1 1 1 -12 18  31 o 23.40181 5.840631  126.5987       72.72039 225.1318       
117.7298 65.81188       92.46986 28.17114 8.906304 18.63248 7.558415 9.538660 
11.68126 
1 1 1 -12 18  32 o 26.63809 5.751970  202.1096       81.54581 70.51585       
121.9134 308.6534       109.6978 19.61233 8.371164 33.66386 7.890771 -14.05153 
11.50394 
1 1 1 -12 19  1  o 167.2983 5.293067  6040.490       353.5107 6022.702       
599.5410 6049.971       437.6923 166.4066 8.581625 168.1901 6.198542 -1.783554 
10.58613 
1 1 1 -12 19  2  o 55.14047 4.223183  632.2393       96.10445 740.7873       
154.1974 563.2914       122.8929 58.86932 6.238918 51.41163 5.693592 7.457684 
8.446365 
1 1 1 -12 19  3  o 89.43359 3.474038  1711.108       129.3558 1528.922       
188.1811 1874.310       178.1076 84.80771 5.285204 94.05949 4.510253 -9.251778 
6.948077 
1 1 1 -12 19  4  o 97.24747 3.869555  2009.606       144.9398 2015.844       
263.8883 2006.911       173.4435 97.10266 6.473067 97.39229 4.241843 
-0.2896271     7.739110 
1 1 1 -12 19  5  o 150.7520 7.348233  4882.244       465.0770 4882.244       
465.0770 0.000000       0.000000 150.7520 7.348233 ?        ?        ? ? 
1 1 1 -12 19  6  o 60.14928 4.295432  793.9094       103.7681 684.0856       
166.4586 863.7156       132.7104 56.49012 7.018672 63.80844 4.953908 -7.318317 
8.590864 
1 1 1 -12 19  7  o 74.76236 3.023034  1208.706       89.03052 1103.852       
151.7255 1263.768       109.9493 72.12534 5.010624 77.39938 3.383577 -5.274048 
6.046068 
1 1 1 -12 19  8  o 179.7792 3.382103  6597.837       196.7649 7260.851       
471.6373 6458.121       216.5067 184.4908 6.089121 175.0676 2.945688 9.423187 
6.764205 
1 1 1 -12 19  9  o 25.82169 5.074585  151.2956       63.38508 42.97700       
99.64741 224.9074       82.14632 19.73359 7.911524 31.90978 6.357157 -12.17620 
10.14917 
1 1 1 -12 19  10 f 13.82857 4.537874  -76.28773      60.29766 -44.13495      
99.22735 -95.11163      75.92362 15.87285 7.131591 11.78429 5.613342 4.088556 
9.075747 
1 1 1 -12 19  11 o 94.88229 2.336810  1895.921       89.76351 1914.449       
148.3453 1885.219       112.7469 95.18198 3.712275 94.58260 2.839321 0.5993805 
4.673620 
1 1 1 -12 19  12 o 209.8864 3.830512  9321.796       315.4348 9563.993       
558.4078 9208.295       382.2657 211.3366 6.293581 208.4361 4.368310 2.900497 
7.661024 
1 1 1 -12 19  13 o 117.4816 2.712135  2907.757       131.1858 2982.458       
208.0286 2858.437       169.0328 118.6438 4.176370 116.3194 3.461306 2.324448 
5.424270 
1 1 1 -12 19  14 o 30.16698 4.914785  213.0113       63.45694 120.6651       
98.49776 278.5367       82.97010 24.21082 8.166389 36.12314 5.470880 -11.91231 
9.829570 
1 1 1 -12 19  15 o 111.9899 2.331506  2656.201       108.1087 2610.956       
166.5623 2689.136       142.1101 111.1011 3.570916 112.8787 2.998707 -1.777641 
4.663013 
1 1 1 -12 19  16 o 97.41341 2.114702  1993.816       84.36578 2047.051       
135.9084 1960.443       107.6088 98.40747 3.289571 96.41935 2.658303 1.988121 
4.229403 
1 1 1 -12 19  17 o 64.26700 2.682819  871.9553       71.46654 899.3813       
110.9557 852.5101       93.42745 65.08007 4.060904 63.45392 3.507011 1.626152 
5.365638 
1 1 1 -12 19  18 o 53.57802 4.311233  634.2324       94.56703 511.9793       
139.8936 737.1089       128.3294 48.51041 6.868846 58.64562 5.212089 -10.13520 
8.622466 
1 1 1 -12 19  19 o 127.5136 3.005944  3470.714       157.1315 3446.117       
250.2160 3486.730       201.9097 126.9246 4.695594 128.1027 3.754223 -1.178123 
6.011888 
1 1 1 -12 19  20 o 45.53564 3.997772  455.4535       74.16585 417.4900       
117.1131 480.8732       95.83146 43.74083 6.377341 47.33045 4.822681 -3.589626 
7.995544 
1 1 1 -12 19  21 o 58.50120 3.438672  744.7971       83.50121 657.6872       
122.4251 820.5719       114.1824 55.13333 5.289047 61.86907 4.395888 -6.735741 
6.877343 
1 1 1 -12 19  22 o 36.62764 5.436565  332.5845       81.05157 200.8519       
127.3849 422.1931       105.0620 29.28049 9.265057 43.97479 5.690668 -14.69429 
10.87313 
1 1 1 -12 19  23 o 91.36903 2.982708  1811.303       110.0569 1736.792       
180.1315 1855.685       139.0229 89.53478 4.792023 93.20329 3.552845 -3.668503 
5.965416 
1 1 1 -12 19  24 o 73.11139 3.416297  1125.562       101.7282 1319.406       
170.1958 1017.815       126.8889 77.63114 5.221964 68.59163 4.406295 9.039513 
6.832594 
1 1 1 -12 19  25 o 54.14519 4.083951  688.1935       85.16151 538.8311       
142.4997 771.1776       106.2162 48.61771 6.981365 59.67266 4.239713 -11.05495 
8.167902 
1 1 1 -12 19  26 o 31.28930 6.060809  244.1568       80.72690 236.8008       
131.6489 248.5895       102.1952 30.55877 9.371891 32.01983 7.687734 -1.461054 
12.12162 
1 1 1 -12 19  27 o 77.99663 3.448374  1349.136       112.3225 1208.843       
159.9452 1485.644       157.7731 73.74237 5.166247 82.25089 4.568920 -8.508514 
6.896749 
1 1 1 -12 19  28 o 56.59449 3.752110  720.3130       88.66034 707.3185       
131.5496 731.1282       120.0124 55.91327 5.603970 57.27571 4.990875 -1.362442 
7.504219 
1 1 1 -12 19  29 o 17.80200 5.500839  13.37274       78.44921 -8.903396      
114.0118 33.40271       108.1111 17.18063 7.683577 18.42336 7.873981 -1.242735 
11.00168 
1 1 1 -12 19  30 o 32.27435 5.847000  282.5366       80.63374 229.1850       
121.0313 325.1157       108.1239 28.75622 9.020041 35.79248 7.442343 -7.036266 
11.69400 
1 1 1 -12 19  31 o 18.28771 5.306056  48.15971       67.76210 115.8274       
100.5525 -8.137388      91.71606 21.41571 8.121025 15.15971 6.831241 6.256005 
10.61211 
1 1 1 -12 20  1  o 82.34480 3.780690  1438.065       124.0279 1477.943       
213.0776 1417.630       152.5309 82.99034 6.115491 81.69926 4.446936 1.291077 
7.561380 
1 1 1 -12 20  2  o 58.42041 4.022249  730.7933       96.03295 724.6513       
154.1270 734.6911       122.7791 58.09533 6.319149 58.74550 4.978182 
-0.6501694     8.044497 
1 1 1 -12 20  3  o 136.1504 4.064644  4010.439       215.9948 3828.341       
378.7748 4098.188       262.9357 133.3594 6.765167 138.9415 4.507532 -5.582077 
8.129288 
1 1 1 -12 20  4  o 41.59589 5.609592  401.3450       92.71349 295.3376       
143.5027 477.2974       121.4682 35.98855 9.396894 47.20324 6.129313 -11.21469 
11.21918 
1 1 1 -12 20  5  o 191.5804 5.127155  7935.665       409.4337 7797.043       
613.4941 8046.989       549.7841 189.7325 7.701757 193.4284 6.770068 -3.695923 
10.25431 
1 1 1 -12 20  6  o 36.57505 7.663868  299.7906       113.9028 0.000000       
0.000000 299.7906       113.9028 ?        ?        36.57505 7.663868 ? ? 
1 1 1 -12 20  7  o 71.02391 3.849092  1038.105       107.2290 1181.010       
194.3070 975.5272       128.5810 74.24421 6.233715 67.80362 4.516948 6.440590 
7.698183 
1 1 1 -12 20  8  o 42.14467 4.957789  396.3670       83.74782 331.2657       
124.5362 450.1129       113.1548 38.40551 7.988414 45.88383 5.874004 -7.478325 
9.915578 
1 1 1 -12 20  9  o 38.50736 5.006880  349.0641       72.45750 263.1826       
125.2034 392.3112       88.84742 34.06677 8.717539 42.94795 4.927464 -8.881180 
10.01376 
1 1 1 -12 20  10 o 62.19630 2.921828  826.3350       73.68237 793.3821       
119.6882 846.4452       93.50037 61.10958 4.665122 63.28303 3.519225 -2.173454 
5.843656 
1 1 1 -12 20  11 o 100.8909 2.736971  2092.796       109.2020 2339.171       
194.1418 1978.768       132.0769 104.9830 4.404749 96.79880 3.249959 8.184212 
5.473943 
1 1 1 -12 20  12 o 170.6732 2.823908  6078.036       187.1785 6421.935       
340.2417 5928.785       224.1453 173.7918 4.663150 167.5546 3.186357 6.237198 
5.647817 
1 1 1 -12 20  13 o 22.27526 5.432957  96.07138       61.23719 122.0999       
95.19018 77.69377       79.98565 24.14405 8.028104 20.40647 7.322406 3.737581 
10.86591 
1 1 1 -12 20  14 o 53.25141 3.140069  601.5787       68.90407 610.1457       
108.6661 595.8179       89.10859 53.50437 4.837556 52.99846 4.004768 0.5059128 
6.280137 
1 1 1 -12 20  15 o 55.21754 3.054580  653.2554       69.82915 615.6171       
106.2210 681.9012       92.66741 53.73954 4.708009 56.69555 3.893132 -2.956009 
6.109159 
1 1 1 -12 20  16 o 133.6022 2.194185  3736.450       114.0131 3874.250       
205.8423 3675.464       136.9374 135.1855 3.626817 132.0190 2.470626 3.166504 
4.388371 
1 1 1 -12 20  17 o 106.3442 3.384191  2423.537       150.6862 2336.512       
218.7665 2502.098       207.8567 104.4388 4.989303 108.2496 4.573605 -3.810814 
6.768383 
1 1 1 -12 20  18 o 34.23856 6.325914  274.4407       92.46213 239.1840       
133.2265 307.2034       128.4279 32.07961 9.332911 36.39750 8.541986 -4.317886 
12.65183 
1 1 1 -12 20  19 o 107.3424 3.188373  2474.665       140.9784 2433.474       
220.7272 2503.046       183.2183 106.3691 4.942668 108.3158 4.029009 -1.946678 
6.376745 
1 1 1 -12 20  20 f 25.99548 6.126197  139.8207       78.13832 203.3672       
124.1405 98.12503       100.5572 29.54624 9.108730 22.44471 8.194643 7.101534 
12.25239 
1 1 1 -12 20  21 o 23.39902 6.131068  101.3850       78.74097 138.7655       
126.6866 77.85408       100.5142 25.64421 9.214032 21.15384 8.090835 4.490368 
12.26214 
1 1 1 -12 20  22 o 46.38496 3.972400  474.7920       74.79543 457.7473       
120.9068 485.3587       95.19714 45.43853 6.337932 47.33139 4.790663 -1.892864 
7.944799 
1 1 1 -12 20  23 o 78.63389 3.197079  1362.552       99.87054 1262.025       
167.5008 1418.002       124.4017 75.91718 5.255305 81.35060 3.642392 -5.433426 
6.394158 
1 1 1 -12 20  24 o 32.32718 6.042589  243.0035       80.87229 314.4828       
135.6601 203.5965       100.7276 35.60141 9.052975 29.05294 8.005945 6.548470 
12.08518 
1 1 1 -12 20  25 o 25.22419 6.199018  132.3394       77.37717 212.3153       
134.2387 92.54533       94.69068 29.14507 9.533573 21.30331 7.926053 7.841755 
12.39804 
1 1 1 -12 20  26 o 84.28268 2.812663  1537.393       96.88515 1561.516       
156.2751 1522.333       123.4789 84.50466 4.404839 84.06071 3.498814 0.4439468 
5.625327 
1 1 1 -12 20  27 o 73.62838 3.438794  1203.100       105.5424 1194.123       
158.4046 1210.267       141.5350 73.13454 5.159009 74.12222 4.548169 
-0.9876862     6.877587 
1 1 1 -12 20  28 o 34.03428 5.790770  298.8241       83.62735 214.0062       
118.6055 382.6805       117.9313 28.54930 8.924022 39.51926 7.381997 -10.96997 
11.58154 
1 1 1 -12 20  29 o 46.12445 4.564191  505.9340       87.72834 454.7902       
126.2016 553.7576       122.0364 43.47172 6.914792 48.77719 5.959280 -5.305466 
9.128383 
1 1 1 -12 20  30 o 37.13561 5.365577  368.4122       81.54493 263.1889       
120.5943 457.0544       110.6856 30.48031 8.883240 43.79091 6.020442 -13.31060 
10.73115 
1 1 1 -12 20  31 o 22.75168 6.063105  134.0572       78.91771 189.2576       
122.0817 94.43176       103.4348 25.34133 9.051005 20.16204 8.069962 5.179295 
12.12621 
1 1 1 -12 21  1  o 43.26620 5.350603  399.2178       90.77930 471.9624       
157.0707 362.7316       111.2395 45.58466 8.523266 40.94774 6.470684 4.636917 
10.70121 
1 1 1 -12 21  2  o 85.23784 3.622360  1555.067       123.8605 1545.985       
207.9402 1560.061       154.2010 84.81532 5.839629 85.66035 4.287739 
-0.8450394     7.244720 
1 1 1 -12 21  3  o 30.94936 5.822400  223.4253       87.79384 53.27660       
134.8707 348.5370       115.6518 22.41098 9.115237 39.48774 7.246642 -17.07676 
11.64480 
1 1 1 -12 21  4  o 67.39517 3.794011  982.8172       104.7492 914.0385       
163.9373 1030.271       136.1721 65.22646 5.986527 69.56390 4.662570 -4.337440 
7.588021 
1 1 1 -12 21  5  o 98.95815 3.491021  2107.544       143.2140 1936.522       
214.8343 2244.331       192.1321 95.16872 5.376882 102.7476 4.453993 -7.578842 
6.982042 
1 1 1 -12 21  6  o 78.83019 3.802709  1292.749       119.5835 1442.486       
208.5970 1219.449       145.9470 81.94649 6.063158 75.71390 4.591352 6.232590 
7.605419 
1 1 1 -12 21  7  f 16.47522 5.384550  -91.91842      87.40582 -148.9171      
140.1602 -55.64577      111.8104 16.40458 7.733478 16.54585 7.494453 
-0.1412640     10.76910 
1 1 1 -12 21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 21  9  o 36.23666 5.917386  282.2448       84.10149 354.5492       
148.2989 247.9667       102.1091 39.32309 9.147084 33.15023 7.509505 6.172859 
11.83477 
1 1 1 -12 21  10 o 63.65334 2.843450  845.9297       73.67107 914.3134       
121.9304 806.6115       92.45538 65.57599 4.428823 61.73068 3.567403 3.845306 
5.686901 
1 1 1 -12 21  11 o 55.80298 2.999585  651.3109       68.86327 712.1265       
110.8299 613.0676       87.88745 57.83880 4.564137 53.76716 3.893416 4.071640 
5.999169 
1 1 1 -12 21  12 o 99.93140 2.389026  2031.040       94.52878 2358.606       
168.8597 1881.534       114.0793 105.4626 3.813719 94.40018 2.878426 11.06242 
4.778053 
1 1 1 -12 21  13 o 49.38117 3.073979  500.1306       61.75486 595.1290       
103.8810 448.2085       76.79877 52.82126 4.684340 45.94108 3.981751 6.880180 
6.147958 
1 1 1 -12 21  14 o 61.56576 2.697906  793.3611       69.24271 917.8280       
105.4244 698.9327       91.82592 65.75212 3.819024 57.37940 3.811802 8.372723 
5.395812 
1 1 1 -12 21  15 o 55.27146 3.015798  633.6258       68.90630 754.6659       
109.8226 555.0380       88.49220 59.48265 4.397669 51.06026 4.128032 8.422390 
6.031595 
1 1 1 -12 21  16 o 29.19805 6.507451  193.1965       88.92683 198.4818       
127.9624 188.2598       123.6704 29.54071 9.276441 28.85538 9.128818 0.6853218 
13.01490 
1 1 1 -12 21  17 o 112.6109 3.436944  2727.519       162.2011 2562.420       
230.5689 2889.275       228.2230 109.1409 5.031926 116.0809 4.682952 -6.939987 
6.873887 
1 1 1 -12 21  18 o 75.99005 3.489677  1244.830       111.2258 1210.437       
159.2776 1277.564       155.3885 74.91352 5.064255 77.06657 4.802574 -2.153053 
6.979355 
1 1 1 -12 21  19 o 49.46170 4.273156  545.0782       86.96142 449.4279       
127.4607 628.3740       118.9445 45.08214 6.734307 53.84127 5.261992 -8.759129 
8.546312 
1 1 1 -12 21  20 o 81.88704 2.723666  1413.274       90.12508 1512.864       
151.4688 1358.693       112.1349 83.89719 4.300281 79.87689 3.343803 4.020294 
5.447333 
1 1 1 -12 21  21 o 17.32254 5.216431  5.627812       69.40625 -80.00826      
115.4607 54.08102       86.84947 15.74863 7.303880 18.89644 7.449694 -3.147813 
10.43286 
1 1 1 -12 21  22 o 54.78668 3.965243  655.9046       88.63406 684.7089       
144.4217 638.5001       112.2624 55.45410 6.203258 54.11927 4.940869 1.334831 
7.930485 
1 1 1 -12 21  23 o 39.74786 5.295870  444.3291       82.83386 154.3970       
134.9176 619.7370       104.9409 26.16925 9.498113 53.32645 4.687305 -27.15720 
10.59174 
1 1 1 -12 21  24 o 22.74979 5.540473  106.4609       76.78272 -60.34740      
131.3095 193.1331       94.65137 17.25851 7.918672 28.24106 7.751257 -10.98255 
11.08095 
1 1 1 -12 21  25 o 43.61523 4.948710  445.1532       83.90712 443.5233       
141.0467 446.0459       104.3870 42.57669 8.182594 44.65376 5.568131 -2.077072 
9.897421 
1 1 1 -12 21  26 o 16.77532 5.110588  11.31151       64.12831 32.09915       
101.3097 -2.586226      82.83623 18.21799 7.697465 15.33266 6.724689 2.885329 
10.22118 
1 1 1 -12 21  27 o 37.78661 5.374656  350.3477       82.22241 403.7568       
120.8832 304.3641       112.1656 40.70173 7.342575 34.87151 7.850751 5.830219 
10.74931 
1 1 1 -12 21  28 o 40.01263 5.172823  388.5092       84.52064 468.8908       
125.8026 322.3736       114.1113 44.40014 6.748796 35.62511 7.841311 8.775028 
10.34565 
1 1 1 -12 21  29 o 49.18857 4.854282  605.4802       92.51453 420.5097       
132.0061 784.0309       129.6951 40.02821 8.137947 58.34893 5.294339 -18.32072 
9.708564 
1 1 1 -12 21  30 o 23.51048 5.913423  147.7768       79.81153 62.28119       
118.3292 219.1346       108.1037 19.26277 8.235368 27.75819 8.488404 -8.495420 
11.82685 
1 1 1 -12 22  1  f 91.49846 3.676547  1799.626       137.1059 1808.404       
222.2735 1794.234       174.1927 91.40977 5.791834 91.58716 4.530192 
-0.1773911     7.353093 
1 1 1 -12 22  2  o 43.36431 5.400824  405.1331       92.66371 481.6928       
157.2016 364.3669       114.7113 45.86132 8.483870 40.86729 6.685771 4.994026 
10.80165 
1 1 1 -12 22  3  o 34.99104 6.235057  250.1488       94.46941 454.6275       
156.7944 133.6186       118.3657 44.49952 8.702994 25.48257 8.930936 19.01695 
12.47011 
1 1 1 -12 22  4  o 115.5208 3.702256  2893.147       176.9006 2658.158       
267.4442 3075.926       235.8703 111.0555 5.736069 119.9862 4.682342 -8.930725 
7.404513 
1 1 1 -12 22  5  o 44.72089 5.372807  476.9465       91.70170 338.6697       
147.1388 564.7668       117.2601 38.17135 9.262397 51.27044 5.447588 -13.09909 
10.74561 
1 1 1 -12 22  6  o 133.7310 4.456204  3817.836       224.6683 3991.299       
427.3140 3751.566       264.1207 134.9344 7.543023 132.5275 4.746980 2.406860 
8.912408 
1 1 1 -12 22  7  o 39.91071 5.569572  338.2902       90.21935 462.7647       
146.8853 262.8822       114.3265 45.93388 7.616692 33.88754 8.128133 12.04634 
11.13914 
1 1 1 -12 22  8  o 86.94463 3.634273  1630.827       122.0525 1588.708       
219.2130 1649.751       146.9339 85.77435 6.087372 88.11491 3.971857 -2.340569 
7.268545 
1 1 1 -12 22  9  o 117.2446 4.095988  3015.887       180.2348 2833.866       
336.0298 3089.401       213.5520 114.0118 7.020191 120.4773 4.222011 -6.465469 
8.191976 
1 1 1 -12 22  10 o 67.16251 4.910766  965.1339       138.4698 965.1339       
138.4698 0.000000       0.000000 67.16251 4.910766 ?        ?        ? ? 
1 1 1 -12 22  11 o 101.5689 2.921293  2208.723       121.5568 2134.513       
192.5132 2257.927       156.7583 99.97863 4.586427 103.1591 3.619461 -3.180489 
5.842586 
1 1 1 -12 22  12 o 69.54316 2.804554  1021.554       79.64987 1060.042       
129.5565 998.1682       100.9898 70.48821 4.377881 68.59811 3.506602 1.890106 
5.609109 
1 1 1 -12 22  13 o 35.25685 4.363289  271.9427       62.23743 284.8294       
97.32278 263.0262       80.95449 35.58934 6.757922 34.92435 5.521203 0.6649933 
8.726579 
1 1 1 -12 22  14 o 65.99774 2.975330  947.9814       76.53670 878.0137       
133.4521 982.2748       93.42910 63.93221 4.971950 68.06328 3.269568 -4.131069 
5.950660 
1 1 1 -12 22  15 o 51.00031 4.773251  582.8787       95.11200 388.1980       
131.0378 799.6446       138.2709 41.16899 7.862808 60.83163 5.414051 -19.66264 
9.546501 
1 1 1 -12 22  16 o 31.25466 6.483257  229.4309       90.58250 225.7091       
129.4724 232.9992       126.7762 31.02871 9.250065 31.48060 9.086626 
-0.4518967     12.96651 
1 1 1 -12 22  17 o 76.25066 3.549415  1256.936       113.5272 1198.010       
160.5514 1315.861       160.5520 74.40998 5.139298 78.09135 4.897041 -3.681366 
7.098831 
1 1 1 -12 22  18 o 76.73099 3.618606  1275.901       116.5436 1243.603       
162.8266 1309.828       166.8834 75.73412 5.120999 77.72785 5.113961 -1.993736 
7.237212 
1 1 1 -12 22  19 o 31.52734 5.585689  238.7902       75.44829 170.1216       
110.5435 298.6748       103.2314 27.06488 8.637714 35.98979 7.084461 -8.924906 
11.17138 
1 1 1 -12 22  20 o 83.63904 3.363522  1527.728       117.2226 1352.465       
168.5493 1691.919       163.1387 78.76028 5.097307 88.51780 4.389827 -9.757523 
6.727044 
1 1 1 -12 22  21 o 159.4342 3.966870  5601.053       256.1552 5633.199       
420.9316 5582.147       322.8085 158.7631 6.315140 160.1053 4.802422 -1.342178 
7.933741 
1 1 1 -12 22  22 o 64.18675 3.338507  920.0806       87.56542 764.2886       
131.9113 1042.815       117.0830 58.87450 5.336739 69.49901 4.012696 -10.62451 
6.677014 
1 1 1 -12 22  23 o 48.27691 4.392588  534.7505       83.42331 495.7651       
141.8181 555.3784       103.1592 46.26729 7.300938 50.28653 4.886268 -4.019238 
8.785175 
1 1 1 -12 22  24 o 26.70473 5.884443  174.1805       71.31127 173.6108       
120.4788 174.4877       88.47419 26.61648 9.031754 26.79299 7.545469 
-0.1765118     11.76889 
1 1 1 -12 22  25 o 49.64330 4.382784  575.8374       86.23767 517.3638       
142.7706 609.4268       108.2080 46.85845 7.257250 52.42815 4.916045 -5.569706 
8.765568 
1 1 1 -12 22  26 o 35.60217 5.572435  319.3696       81.07831 286.0397       
119.3200 347.9595       110.5102 33.35621 8.495178 37.84812 7.213882 -4.491913 
11.14487 
1 1 1 -12 22  27 o 52.83452 4.061196  648.5967       88.46127 532.0251       
127.2699 757.5542       123.0433 47.66988 6.359205 57.99915 5.053096 -10.32927 
8.122393 
1 1 1 -12 22  28 o 21.68418 5.955238  100.8577       81.75465 34.08783       
119.4920 159.6208       112.0989 18.75113 8.150488 24.61723 8.684987 -5.866095 
11.91048 
1 1 1 -12 22  29 o 21.97411 6.059254  119.2324       82.33157 78.93733       
118.6004 156.7125       114.3829 20.07389 8.397201 23.87433 8.737576 -3.800436 
12.11851 
1 1 1 -12 22  30 o 35.84108 7.035988  477.0268       132.7868 197.5880       
243.5579 595.2178       158.3985 25.24832 11.26255 46.43385 8.436563 -21.18553 
14.07198 
1 1 1 -12 23  1  o 78.77310 3.632081  1336.887       116.6284 1367.989       
189.7789 1318.012       147.8408 79.23000 5.705311 78.31622 4.496386 0.9137802 
7.264163 
1 1 1 -12 23  2  o 94.12762 3.996424  1977.976       147.2672 1768.551       
251.2798 2087.542       181.7526 89.58586 6.680964 98.66937 4.387523 -9.083511 
7.992849 
1 1 1 -12 23  3  o 65.51640 4.212821  914.6619       111.9451 1014.734       
187.6400 859.3602       139.4881 67.97697 6.574833 63.05582 5.269060 4.921146 
8.425641 
1 1 1 -12 23  4  o 21.43903 6.015631  50.91552       86.65439 -44.70314      
132.2969 122.7622       114.6784 18.32661 8.234341 24.55146 8.771938 -6.224852 
12.03126 
1 1 1 -12 23  5  o 80.18867 3.859451  1404.810       122.9872 1340.912       
208.0050 1439.156       152.4999 78.37640 6.321346 82.00094 4.429675 -3.624535 
7.718901 
1 1 1 -12 23  6  o 50.56822 5.173246  616.7538       97.73950 382.7965       
149.0383 793.3020       129.4677 40.42570 9.013824 60.71073 5.079454 -20.28503 
10.34649 
1 1 1 -12 23  7  o 53.82314 4.847020  703.3776       95.07053 405.3269       
145.1149 927.4969       125.8366 41.83458 8.557596 65.81171 4.554332 -23.97713 
9.694039 
1 1 1 -12 23  8  o 89.56830 3.649459  1725.136       126.6058 1733.435       
227.9728 1721.435       152.2412 89.28606 6.081636 89.85055 4.035827 
-0.5644913     7.298917 
1 1 1 -12 23  9  f 117.7520 3.533190  2848.591       157.3606 3294.255       
304.9100 2686.796       183.7176 123.1995 5.895002 112.3046 3.896496 10.89485 
7.066380 
1 1 1 -12 23  10 o 47.85180 5.367445  529.3192       95.44827 475.4933       
169.0291 554.5176       115.6520 45.04375 9.255806 50.65984 5.437636 -5.616093 
10.73489 
1 1 1 -12 23  11 o 90.34454 3.507228  1727.705       129.8609 1885.783       
211.2367 1631.665       164.6496 93.41525 5.386078 87.27383 4.493635 6.141418 
7.014456 
1 1 1 -12 23  12 o 88.00098 4.725833  1663.737       174.6003 1663.737       
174.6003 0.000000       0.000000 88.00098 4.725833 ?        ?        ? ? 
1 1 1 -12 23  13 o 21.97869 6.028905  76.37305       79.02985 101.8219       
120.1663 56.97573       104.9107 23.55632 8.893910 20.40106 8.141815 3.155268 
12.05781 
1 1 1 -12 23  14 o 78.63953 3.411082  1329.474       112.4780 1411.106       
163.8660 1256.750       154.6681 80.91654 4.823615 76.36251 4.824383 4.554031 
6.822165 
1 1 1 -12 23  15 o 34.40978 5.813879  276.2354       89.87433 143.2631       
127.1325 409.0781       127.0705 25.94639 9.239416 42.87317 7.059601 -16.92678 
11.62776 
1 1 1 -12 23  16 o 56.62620 4.044193  700.6831       96.07601 717.2638       
139.0769 685.5474       132.8789 57.23917 5.787391 56.01323 5.650495 1.225941 
8.088386 
1 1 1 -12 23  17 o 71.80527 3.963347  1127.279       119.1453 1245.770       
171.7395 1017.333       165.4313 75.53664 5.415438 68.07391 5.788394 7.462723 
7.926694 
1 1 1 -12 23  18 o 96.17190 2.955537  1997.948       118.8329 1895.300       
173.1964 2089.252       163.3460 93.69846 4.402784 98.64533 3.944146 -4.946869 
5.911074 
1 1 1 -12 23  19 o 89.77039 3.262069  1742.610       122.3120 1513.094       
168.2232 2000.024       178.1543 83.39619 4.804640 96.14458 4.413595 -12.74839 
6.524139 
1 1 1 -12 23  20 o 31.80904 6.248440  251.2363       87.37482 209.6073       
129.5040 286.0194       118.3775 29.27247 9.349890 34.34561 8.291656 -5.073145 
12.49688 
1 1 1 -12 23  21 o 85.50969 3.074023  1587.031       108.3361 1593.727       
170.1408 1582.465       140.4999 85.38632 4.746149 85.63305 3.908010 
-0.2467270     6.148046 
1 1 1 -12 23  22 o 94.57420 3.345477  1961.393       128.4697 1959.483       
209.5881 1962.543       162.5968 94.01369 5.310025 95.13472 4.070933 -1.121033 
6.690954 
1 1 1 -12 23  23 o 21.19307 5.584906  90.99811       72.02058 -25.08374      
131.3617 140.8876       86.11741 18.14738 8.176606 24.23876 7.609719 -6.091383 
11.16981 
1 1 1 -12 23  24 o 84.58823 3.397204  1559.021       114.2182 1660.706       
198.1926 1508.456       139.7610 85.95471 5.492105 83.22174 4.000096 2.732971 
6.794408 
1 1 1 -12 23  25 o 51.90751 4.166407  602.3349       87.28522 667.0029       
147.5722 567.5377       108.2508 53.48474 6.571974 50.33028 5.122983 3.154465 
8.332814 
1 1 1 -12 23  26 o 29.57117 6.082663  235.1558       81.77586 186.2316       
126.8829 269.9169       106.9517 26.59902 9.253860 32.54332 7.896913 -5.944296 
12.16533 
1 1 1 -12 23  27 o 28.20332 5.437418  207.1945       67.23811 166.0725       
96.20648 246.4600       94.00966 25.22251 8.058984 31.18413 7.301701 -5.961613 
10.87484 
1 1 1 -12 23  28 o 36.55093 5.656555  359.7204       86.37278 289.0486       
125.0788 424.1389       119.4169 31.76355 8.980092 41.33831 6.880727 -9.574759 
11.31311 
1 1 1 -12 23  29 o 29.58484 6.887515  304.0587       108.4133 143.3243       
246.5591 342.5837       120.7084 24.10511 10.98241 35.06458 8.314939 -10.95947 
13.77503 
1 1 1 -12 24  1  o 59.95322 4.260503  788.4857       103.0290 815.0436       
172.0831 773.6464       128.6317 60.32806 6.794224 59.57837 5.142574 0.7496872 
8.521007 
1 1 1 -12 24  2  o 40.31333 5.642726  383.0321       92.31485 338.4480       
140.9182 416.5492       122.1829 37.41434 9.055612 43.21232 6.734787 -5.797985 
11.28545 
1 1 1 -12 24  3  o 101.8377 3.631939  2294.459       149.3059 2083.300       
240.2979 2427.240       190.5521 97.42030 5.875186 106.2550 4.271549 -8.834740 
7.263879 
1 1 1 -12 24  4  o 115.5192 3.667917  2926.253       175.9739 2574.183       
256.6585 3238.586       241.7404 108.5525 5.631666 122.4859 4.700935 -13.93340 
7.335833 
1 1 1 -12 24  5  o 80.29809 3.950733  1397.339       121.3570 1427.527       
223.8009 1384.766       144.4358 80.28906 6.639364 80.30711 4.283925 
-0.1805115E-01 7.901466 
1 1 1 -12 24  6  o 108.3606 4.257479  2637.363       183.4633 2350.175       
302.8390 2803.873       230.5951 102.7570 7.019749 113.9643 4.819506 -11.20731 
8.514958 
1 1 1 -12 24  7  o 95.55550 3.896373  2047.078       143.8264 1820.048       
250.9541 2158.125       175.5110 90.76434 6.585672 100.3467 4.166032 -9.582321 
7.792747 
1 1 1 -12 24  8  o 36.68785 5.638095  270.8128       87.80630 523.5951       
148.6899 135.4580       108.8040 48.40765 7.316250 24.96806 8.580498 23.43959 
11.27619 
1 1 1 -12 24  9  f 39.81841 5.424974  371.6373       83.77122 332.2623       
142.3663 392.4907       103.6061 37.25560 9.155123 42.38123 5.822811 -5.125626 
10.84995 
1 1 1 -12 24  10 o 23.59696 6.270029  99.47942       81.77422 138.0212       
136.1295 77.71945       102.2858 25.93629 9.528169 21.25762 8.152733 4.678673 
12.54006 
1 1 1 -12 24  11 o 29.54367 5.894655  207.2385       78.67512 145.3232       
115.9676 260.0360       107.0889 25.72552 8.856750 33.36183 7.781118 -7.636307 
11.78931 
1 1 1 -12 24  12 o 67.24588 3.395390  971.2206       95.10345 1023.453       
145.2922 932.0646       125.7975 68.72221 5.035774 65.76954 4.555840 2.952675 
6.790780 
1 1 1 -12 24  13 o 73.91851 5.039238  1185.256       156.3857 0.000000       
0.000000 1185.256       156.3857 ?        ?        73.91851 5.039238 ? ? 
1 1 1 -12 24  14 o 59.78221 4.404608  789.5707       108.8828 793.5998       
169.1000 786.7172       142.3093 59.64761 6.752610 59.91680 5.657256 
-0.2691879     8.809216 
1 1 1 -12 24  15 o 52.77695 4.372355  618.7314       95.59150 743.3174       
137.1463 501.0197       133.3089 58.20449 5.612402 47.34941 6.706034 10.85508 
8.744709 
1 1 1 -12 24  16 f 52.42461 4.416879  612.9083       96.82922 577.0352       
140.2326 645.5969       133.8637 50.79568 6.575721 54.05355 5.898744 -3.257870 
8.833758 
1 1 1 -12 24  17 o 39.05530 5.716891  359.9841       92.45795 464.1190       
133.7764 264.7524       127.9300 45.26270 7.039798 32.84790 9.009585 12.41479 
11.43378 
1 1 1 -12 24  18 o 80.43977 3.110373  1398.599       103.1991 1425.890       
162.3061 1380.078       133.7073 80.86485 4.780751 80.01468 3.980214 0.8501740 
6.220747 
1 1 1 -12 24  19 o 31.66338 6.378447  245.4558       88.59699 289.5446       
134.4981 211.6607       117.7548 33.99232 9.200187 29.33444 8.837132 4.657881 
12.75689 
1 1 1 -12 24  20 o 40.13707 5.028042  374.5405       82.38732 383.4848       
124.0517 367.4821       110.2008 40.05631 7.650377 40.21783 6.526603 
-0.1615181     10.05608 
1 1 1 -12 24  21 o 25.61969 6.383340  151.5876       85.14661 190.6971       
129.5371 121.8348       112.9840 27.71721 9.365133 23.52217 8.676542 4.195040 
12.76668 
1 1 1 -12 24  22 o 40.96727 4.450262  365.7839       73.69749 451.2562       
126.4236 321.7879       90.70299 44.13291 6.823175 37.80163 5.715209 6.331276 
8.900524 
1 1 1 -12 24  23 o 17.59796 5.420160  4.357163       77.79716 -93.02129      
133.8672 54.01772       95.59796 16.30857 7.653671 18.88734 7.676840 -2.578772 
10.84032 
1 1 1 -12 24  24 o 25.22414 6.151897  133.3066       79.18666 254.4872       
134.1192 68.45738       98.11304 30.78783 9.462930 19.66045 7.863607 11.12739 
12.30379 
1 1 1 -12 24  25 o 28.91097 5.761225  227.9680       74.86829 155.4646       
128.4183 265.3004       92.14899 24.89392 9.236621 32.92801 6.888520 -8.034088 
11.52245 
1 1 1 -12 24  26 o 44.54282 4.966485  490.7137       89.00945 447.7826       
133.7492 524.8422       119.2513 41.77760 7.912929 47.30804 6.004119 -5.530441 
9.932970 
1 1 1 -12 24  27 o 24.44167 5.616730  139.1275       81.76941 -20.00442      
117.8554 286.8292       113.5439 16.53738 7.551879 32.34595 8.316235 -15.80857 
11.23346 
1 1 1 -12 24  28 o 19.08791 5.501037  29.40749       76.11046 173.1312       
118.4911 -71.54185      99.30548 24.50865 8.900578 13.66718 6.467253 10.84147 
11.00207 
1 1 1 -12 25  1  f 62.90239 4.364625  892.5419       110.2080 861.0920       
182.3283 910.6472       138.3402 61.40520 7.072453 64.39957 5.116660 -2.994370 
8.729250 
1 1 1 -12 25  2  o 30.46277 6.272639  238.7829       86.34311 155.4213       
154.1777 276.8734       104.2191 26.74012 10.08064 34.18542 7.467581 -7.445299 
12.54528 
1 1 1 -12 25  3  o 63.55023 3.877773  927.7077       97.88606 731.5116       
154.7930 1058.444       126.3586 57.13411 6.453228 69.96635 4.301666 -12.83225 
7.755545 
1 1 1 -12 25  4  o 31.39323 5.571089  241.4502       88.96954 36.06809       
136.8791 391.6971       117.0735 21.02883 8.919249 41.75763 6.677958 -20.72881 
11.14218 
1 1 1 -12 25  5  o 27.25646 6.556606  175.5885       92.86180 94.82228       
156.3668 219.5930       115.4194 24.34754 9.848541 30.16538 8.658092 -5.817846 
13.11321 
1 1 1 -12 25  6  o 46.98761 4.845723  497.0247       92.93261 491.2335       
148.9433 500.7163       118.9206 46.38327 7.648580 47.59195 5.951752 -1.208683 
9.691446 
1 1 1 -12 25  7  o 32.21413 5.743711  267.4940       85.86504 103.7244       
143.3714 359.0879       107.2208 24.25232 9.568320 40.17594 6.356738 -15.92362 
11.48742 
1 1 1 -12 25  8  o 85.84703 3.690231  1607.795       126.7464 1612.340       
214.0288 1605.340       157.2934 85.43236 5.967205 86.26170 4.343236 
-0.8293457     7.380463 
1 1 1 -12 25  9  o 20.00852 5.826951  44.43993       79.85397 -18.86212      
134.8902 78.59383       99.08133 19.04501 8.446266 20.97203 8.029571 -1.927023 
11.65390 
1 1 1 -12 25  10 o 31.20697 6.062702  204.1140       88.80034 393.8966       
141.7781 81.60356       113.9115 40.54298 8.591453 21.87095 8.556421 18.67204 
12.12540 
1 1 1 -12 25  11 o 45.60174 5.572905  416.3399       97.55721 709.9641       
183.0148 299.7890       115.3050 55.64925 7.833359 35.55424 7.928905 20.09501 
11.14581 
1 1 1 -12 25  12 f 24.17690 6.461668  105.1397       91.31931 174.2556       
138.2181 51.59854       121.6522 27.52003 9.650316 20.83376 8.595579 6.686274 
12.92334 
1 1 1 -12 25  13 o 101.0927 3.631804  2261.147       150.6857 2085.853       
233.4577 2386.328       197.2840 97.20858 5.720378 104.9768 4.476302 -7.768250 
7.263608 
1 1 1 -12 25  14 o 115.6061 3.841427  2960.315       184.9322 2695.121       
270.3362 3193.577       253.5384 110.2957 5.838037 120.9165 4.994352 -10.62083 
7.682853 
1 1 1 -12 25  15 o 23.00156 10.07237  23.02926       185.2418 0.000000       
0.000000 23.02926       185.2418 ?        ?        23.00156 10.07237 ? ? 
1 1 1 -12 25  16 o 17.92746 5.640797  -33.90471      87.90053 34.51830       
126.1145 -98.54722      122.5810 20.19471 8.563196 15.66020 7.344796 4.534508 
11.28159 
1 1 1 -12 25  17 o 75.85860 3.902809  1276.020       124.2932 1273.919       
175.0325 1278.158       176.5313 75.81027 5.499356 75.90694 5.539382 
-0.9666443E-01 7.805617 
1 1 1 -12 25  18 o 15.65090 5.149352  -82.64058      82.49066 -54.68525      
122.5334 -105.8116      111.5565 16.77638 7.677361 14.52542 6.864506 2.250957 
10.29870 
1 1 1 -12 25  19 f 50.54921 4.655912  580.1265       98.07142 618.9502       
149.7000 550.9359       129.8056 51.82987 6.879592 49.26855 6.275450 2.561317 
9.311824 
1 1 1 -12 25  20 o 23.61767 5.945886  114.2991       82.06642 205.2076       
113.3023 13.97002       119.0282 28.55802 8.681569 18.67731 8.126781 9.880714 
11.89177 
1 1 1 -12 25  21 o 31.91109 6.278969  257.3670       87.65843 321.3607       
131.9529 206.8170       117.2764 35.36551 8.889951 28.45667 8.869644 6.908831 
12.55794 
1 1 1 -12 25  22 o 42.05881 5.189879  430.3374       87.34045 397.2162       
135.0878 454.1277       114.4885 39.65172 8.374285 44.46590 6.132758 -4.814178 
10.37976 
1 1 1 -12 25  23 o 81.62888 3.397225  1505.622       113.7513 1366.954       
175.1853 1606.705       149.5713 77.74252 5.367353 85.51522 4.166063 -7.772697 
6.794451 
1 1 1 -12 25  24 o 24.79642 6.106441  160.1468       81.42427 89.03278       
136.5990 199.3409       101.4098 21.90296 9.077268 27.68988 8.170538 -5.786921 
12.21288 
1 1 1 -12 25  25 o 19.88705 5.553432  79.02589       72.00981 8.866253       
119.4228 119.1086       90.26559 17.81470 7.918169 21.95941 7.788777 -4.144711 
11.10686 
1 1 1 -12 25  26 o 21.69687 6.015934  108.9030       81.10921 162.3564       
119.7630 63.61281       110.2394 24.23263 8.933681 19.16111 8.059481 5.071520 
12.03187 
1 1 1 -12 25  27 o 44.24712 4.991169  496.9613       90.48495 559.1299       
133.7108 444.4380       122.9015 47.25327 6.739937 41.24097 7.363446 6.012302 
9.982339 
1 1 1 -12 26  1  o 66.45106 4.258633  1002.943       116.4687 965.7460       
181.0145 1029.221       152.1449 64.88170 6.645261 68.02042 5.327694 -3.138718 
8.517266 
1 1 1 -12 26  2  o 37.70348 5.798422  351.7933       89.38381 305.8402       
140.5216 383.0211       115.8394 34.53143 9.429853 40.87552 6.750160 -6.344097 
11.59684 
1 1 1 -12 26  3  o 16.81914 5.455893  -53.87412      86.75069 -166.8929      
155.3023 -2.615335      104.5892 16.43272 7.877043 17.20556 7.551110 
-0.7728424     10.91179 
1 1 1 -12 26  4  o 21.71122 5.924566  79.53423       83.31392 -31.45323      
135.8018 146.5190       105.5010 18.41629 8.304835 25.00616 8.451723 -6.589869 
11.84913 
1 1 1 -12 26  5  o 22.29001 6.284041  85.55167       87.73094 85.33939       
135.0353 85.70673       115.4050 22.71544 9.167071 21.86458 8.597762 0.8508511 
12.56808 
1 1 1 -12 26  6  o 46.96386 5.364473  514.5843       95.78023 519.6368       
168.1168 512.1561       116.5442 45.96237 9.034167 47.96534 5.787411 -2.002972 
10.72895 
1 1 1 -12 26  7  o 56.56942 4.136558  710.7972       96.25485 721.9493       
152.2780 703.3764       124.2179 56.61441 6.406655 56.52442 5.234425 
0.8999252E-01  8.273115 
1 1 1 -12 26  8  o 28.37704 6.808492  183.1372       93.00191 246.8002       
159.5688 150.3858       114.4509 31.25391 10.39419 25.50016 8.796758 5.753754 
13.61698 
1 1 1 -12 26  9  o 59.77556 4.724112  786.9575       106.9728 862.0143       
202.9431 758.0803       125.8802 60.78806 7.952013 58.76307 5.102395 2.024994 
9.448224 
1 1 1 -12 26  10 o 27.14748 6.485348  178.8703       94.50124 59.12482       
161.5037 241.2143       116.5334 22.95393 9.709659 31.34102 8.600085 -8.387089 
12.97070 
1 1 1 -12 26  11 o 18.92383 6.051883  -38.91319      103.1558 -100.4309      
162.5787 2.542727       133.4617 18.39851 8.584346 19.44914 8.532887 -1.050625 
12.10377 
1 1 1 -12 26  12 o 65.87457 4.064004  956.0547       111.5673 1043.191       
170.7428 891.1303       147.3822 68.33337 5.951559 63.41576 5.535655 4.917606 
8.128009 
1 1 1 -12 26  13 o 43.44614 5.556651  434.4106       97.48737 604.0740       
150.4511 311.6209       127.9919 51.37827 6.974885 35.51402 8.651963 15.86425 
11.11330 
1 1 1 -12 26  14 o 61.32555 4.239610  822.1194       107.5839 978.2255       
170.7344 719.3184       138.5509 65.91462 6.169647 56.73649 5.816583 9.178127 
8.479220 
1 1 1 -12 26  15 o 86.03593 3.894130  1633.573       139.0615 1733.431       
215.7222 1562.574       181.9003 87.96439 5.841294 84.10747 5.151337 3.856926 
7.788260 
1 1 1 -12 26  16 o 64.05579 4.284749  882.7465       112.4641 1192.602       
182.3281 692.4554       142.8838 72.77465 5.967529 55.33694 6.150195 17.43771 
8.569498 
1 1 1 -12 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 26  18 o 36.14274 6.014537  328.9664       88.91642 322.0247       
137.7861 333.9201       116.3964 35.31499 9.201698 36.97049 7.747735 -1.655495 
12.02907 
1 1 1 -12 26  19 o 33.69411 6.165464  296.8735       89.54053 228.1083       
133.9041 352.4910       120.4246 29.54869 9.514399 37.83954 7.843979 -8.290855 
12.33093 
1 1 1 -12 26  20 o 30.11229 6.422626  231.5317       89.13641 302.6764       
133.6452 174.5249       119.6316 33.93170 9.165234 26.29289 8.999944 7.638811 
12.84525 
1 1 1 -12 26  21 o 47.42588 4.640377  524.8472       91.30736 531.7041       
140.1207 519.7867       120.3735 47.31939 7.053170 47.53238 6.032012 
-0.2129860     9.280753 
1 1 1 -12 26  22 o 71.36513 3.703202  1105.162       108.3968 1392.804       
178.0850 935.8734       136.6205 78.25322 5.420587 64.47704 5.046984 13.77618 
7.406403 
1 1 1 -12 26  23 o 72.08434 3.316682  1202.453       95.59032 1009.478       
152.1888 1328.189       122.8462 66.32307 5.465617 77.84560 3.758797 -11.52253 
6.633364 
1 1 1 -12 26  24 o 23.76343 5.694936  146.4861       81.54372 -20.05676      
138.9468 233.9808       100.7109 17.86293 8.174932 29.66393 7.930930 -11.80100 
11.38987 
1 1 1 -12 26  25 o 25.06794 5.750237  174.0503       84.11787 8.771964       
135.7526 277.0612       107.1722 18.22476 8.256285 31.91112 8.005913 -13.68636 
11.50047 
1 1 1 -12 26  26 f 29.79322 6.191634  260.5091       83.82096 219.8323       
120.8111 298.2655       116.3937 27.13938 9.044204 32.44706 8.458589 -5.307684 
12.38327 
1 1 1 -12 27  1  f 46.84631 5.453665  519.0385       101.3483 592.4888       
169.3206 478.0316       126.5147 48.41206 8.641781 45.28056 6.655035 3.131493 
10.90733 
1 1 1 -12 27  2  o 16.17993 5.297277  -116.1299      89.51414 27.43295       
131.2745 -240.8925      122.3775 19.74255 8.561548 12.61732 6.240552 7.125233 
10.59455 
1 1 1 -12 27  3  o 38.29121 6.261700  374.7215       94.49438 368.7518       
164.3139 377.6714       115.5055 36.90650 10.24714 39.67592 7.199427 -2.769421 
12.52340 
1 1 1 -12 27  4  o 61.94263 4.355942  913.5303       106.5223 703.4267       
167.7719 1055.435       137.8796 54.70534 7.304836 69.17992 4.747239 -14.47458 
8.711884 
1 1 1 -12 27  5  o 23.34254 6.323036  114.5518       84.92226 117.1259       
137.9353 112.9806       107.7685 23.90662 9.399984 22.77845 8.459517 1.128166 
12.64607 
1 1 1 -12 27  6  o 25.77155 5.877859  150.7838       88.40417 -31.61792      
140.1850 271.2180       113.9100 18.51859 8.389660 33.02452 8.234715 -14.50593 
11.75572 
1 1 1 -12 27  7  o 38.86076 5.779720  379.5856       91.06058 307.3218       
143.0432 428.8253       118.0768 34.41160 9.563022 43.30992 6.493788 -8.898315 
11.55944 
1 1 1 -12 27  8  o 66.00023 4.728838  901.5491       120.2510 1269.313       
232.3997 767.0847       140.5254 73.52180 7.529056 58.47867 5.723720 15.04313 
9.457677 
1 1 1 -12 27  9  o 23.82430 6.792375  103.4972       103.2890 121.6454       
161.1377 90.83987       134.5712 24.94095 10.03512 22.70765 9.156519 2.233297 
13.58475 
1 1 1 -12 27  10 o 25.30040 7.058653  133.2454       106.0714 122.0260       
189.4611 138.3675       128.0146 25.80917 10.69288 24.79164 9.217414 1.017534 
14.11731 
1 1 1 -12 27  11 o 104.0417 5.053601  2507.282       202.4253 2529.516       
364.7677 2497.388       243.3324 102.2946 8.493461 105.7888 5.478745 -3.494194 
10.10720 
1 1 1 -12 27  12 o 62.85357 4.644418  905.2114       118.7906 904.4742       
192.0882 905.6680       151.1620 62.15668 7.360949 63.55046 5.665588 -1.393776 
9.288836 
1 1 1 -12 27  13 o 63.44953 4.133640  901.4518       109.0666 952.7179       
167.7588 863.9176       143.5437 64.75137 6.171028 62.14770 5.501486 2.603664 
8.267281 
1 1 1 -12 27  14 o 50.44971 4.898269  589.8074       101.7889 597.0436       
159.8620 584.8733       132.0071 50.23092 7.580456 50.66851 6.205548 
-0.4375992     9.796537 
1 1 1 -12 27  15 o 43.86077 5.585557  453.4078       99.56675 560.0526       
156.1386 380.3228       129.2571 48.50643 7.667115 39.21511 8.124601 9.291317 
11.17111 
1 1 1 -12 27  16 o 37.22285 6.327321  347.0862       98.52364 467.2249       
150.3182 256.6056       130.4512 43.10161 8.611488 31.34409 9.272659 11.75752 
12.65464 
1 1 1 -12 27  17 o 24.30715 6.522751  135.4887       91.82941 128.4519       
133.1095 141.8792       126.8494 24.02885 9.280314 24.58545 9.168473 
-0.5566044     13.04550 
1 1 1 -12 27  18 o 25.70773 6.377559  152.7865       93.67504 42.38000       
134.5960 256.5026       130.4541 20.33393 8.741157 31.08152 9.288984 -10.74759 
12.75512 
1 1 1 -12 27  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 27  20 o 35.37869 6.404856  339.6414       96.27683 292.6883       
144.1117 377.4900       129.3874 32.42718 9.777725 38.33021 8.275554 -5.903027 
12.80971 
1 1 1 -12 27  21 o 39.57413 5.594062  404.4577       88.50726 359.5248       
141.0228 433.6585       113.6853 36.25201 9.237185 42.89625 6.312569 -6.644238 
11.18812 
1 1 1 -12 27  22 o 50.59502 4.576725  592.3448       95.41668 740.8071       
153.8227 499.4930       121.6487 55.43031 6.609890 45.75974 6.332062 9.670563 
9.153450 
1 1 1 -12 27  23 o 18.77841 5.725376  8.029449       84.40166 140.8154       
134.6490 -77.91079      108.3242 23.26065 9.242401 14.29617 6.760009 8.964480 
11.45075 
1 1 1 -12 27  24 o 26.75174 6.410057  209.9281       84.31288 218.0529       
138.9277 205.1910       106.0818 26.65620 9.641835 26.84727 8.449280 
-0.1910763     12.82011 
1 1 1 -12 28  1  o 28.43406 6.759275  222.4632       92.83413 218.0087       
163.5144 224.5819       112.7714 27.86025 10.40559 29.00787 8.629884 -1.147623 
13.51855 
1 1 1 -12 28  2  o 17.55446 5.588033  -34.29126      92.74641 -181.1974      
152.5959 51.76882       116.7948 15.50554 7.514180 19.60337 8.272941 -4.097828 
11.17607 
1 1 1 -12 28  3  o 28.63999 6.376559  213.5556       83.14893 231.6057       
140.2735 203.7777       103.2423 29.14872 9.745511 28.13126 8.225996 1.017458 
12.75312 
1 1 1 -12 28  4  o 24.43940 6.363388  138.4249       84.66862 183.0168       
135.3618 109.7653       108.5182 26.63159 9.528709 22.24722 8.436500 4.384365 
12.72678 
1 1 1 -12 28  5  o 58.16836 4.644462  776.9315       108.5394 834.5330       
183.7998 746.0886       134.4949 58.98930 7.421521 57.34741 5.586156 1.641895 
9.288924 
1 1 1 -12 28  6  o 63.50246 5.363079  982.0053       121.6530 930.4850       
239.0081 1000.020       141.3302 60.09623 9.472977 66.90871 5.031220 -6.812481 
10.72616 
1 1 1 -12 28  7  o 37.12929 6.035322  391.4308       101.8026 157.9856       
163.2378 540.0148       130.2310 25.96105 10.22011 48.29753 6.422597 -22.33648 
12.07064 
1 1 1 -12 28  8  o 50.11010 5.926737  648.0080       115.3768 481.6366       
176.1143 773.1010       152.7115 42.28362 10.05426 57.93658 6.278267 -15.65296 
11.85347 
1 1 1 -12 28  9  o 74.24446 5.185920  1352.014       146.2388 1174.734       
256.1735 1437.714       178.1122 68.43923 8.915589 80.04970 5.299747 -11.61047 
10.37184 
1 1 1 -12 28  10 o 95.41942 4.185926  2093.155       159.6911 2003.848       
265.2693 2143.915       199.9891 92.56590 6.825856 98.27295 4.847227 -5.707054 
8.371853 
1 1 1 -12 28  11 o 61.48428 5.293207  921.1019       125.4556 839.0750       
217.7370 961.8665       153.4957 57.75206 8.980197 65.21648 5.606089 -7.464420 
10.58641 
1 1 1 -12 28  12 o 23.91952 6.758068  117.7436       105.0980 48.89152       
167.7320 162.2480       134.8526 22.10892 9.633723 25.73013 9.480365 -3.621216 
13.51614 
1 1 1 -12 28  13 o 26.34124 6.733957  174.6937       95.41599 169.7522       
144.7502 178.4908       126.8850 26.18710 9.788433 26.49537 9.250476 
-0.3082752     13.46791 
1 1 1 -12 28  14 f 71.26691 4.077016  1172.683       119.8342 982.2382       
174.4810 1342.725       164.8695 65.07582 6.386302 77.45799 5.069850 -12.38217 
8.154032 
1 1 1 -12 28  15 f 40.54232 5.074483  298.6723       105.5575 971.0299       
177.5830 -68.68628      131.2643 64.45377 6.562573 16.63088 7.741714 47.82290 
10.14897 
1 1 1 -12 28  16 o 39.55700 5.737830  371.6570       94.22543 605.7512       
149.8512 218.5749       121.1789 50.38911 7.083447 28.72490 9.028597 21.66422 
11.47566 
1 1 1 -12 28  17 o 30.73086 5.771545  208.6144       91.28831 463.2711       
141.2947 26.14822       119.6023 42.70880 8.171583 18.75292 8.152802 23.95588 
11.54309 
1 1 1 -12 28  18 o 37.79095 6.182477  376.4388       95.47050 390.0278       
146.3212 366.3651       125.9816 37.90383 9.261068 37.67807 8.192968 0.2257614 
12.36495 
1 1 1 -12 28  19 o 18.79330 5.826192  21.99647       89.82994 -28.67347      
136.2052 61.00239       119.5043 17.69496 8.096314 19.89165 8.380199 -2.196692 
11.65238 
1 1 1 -12 28  20 o 26.22015 6.425586  169.8932       88.89921 294.4467       
141.7578 89.15675       114.1310 31.71532 9.724744 20.72498 8.401307 10.99034 
12.85117 
1 1 1 -12 28  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -12 28  22 o 21.83226 6.168229  77.10729       87.90654 237.5632       
146.6556 -12.87127      109.8223 27.53034 9.911473 16.13418 7.345127 11.39616 
12.33646 
1 1 1 -12 28  23 o 18.83069 5.712647  53.81242       83.70040 -24.04097      
139.3218 97.78101       104.7012 17.31911 8.028754 20.34227 8.128742 -3.023159 
11.42529 
1 1 1 -12 29  1  o 58.02507 5.125047  865.6233       115.5063 806.0303       
197.3320 896.6829       142.4618 54.33335 8.650714 61.71679 5.498144 -7.383442 
10.25009 
1 1 1 -12 29  2  f 40.24345 6.449233  440.5070       104.3992 542.2922       
169.5938 378.4018       132.4744 43.47243 9.551549 37.01447 8.668237 6.457962 
12.89847 
1 1 1 -12 29  3  o 26.45160 6.853912  193.8479       96.63774 232.5856       
161.1356 172.0886       120.7666 27.81247 10.34115 25.09074 8.998059 2.721725 
13.70782 
1 1 1 -12 29  4  o 49.27560 5.605989  522.0694       103.2654 896.1042       
207.7977 399.4038       118.9997 58.75958 8.423318 39.79162 7.399739 18.96796 
11.21198 
1 1 1 -12 29  5  o 32.42363 6.560823  304.8137       95.51825 238.0656       
162.8322 339.8322       117.9423 28.58548 10.42869 36.26179 7.963677 -7.676310 
13.12165 
1 1 1 -12 29  6  o 72.05832 4.397746  1170.259       128.1842 1413.369       
218.7589 1043.142       158.1858 76.79396 6.785155 67.32269 5.596636 9.471275 
8.795491 
1 1 1 -12 29  7  o 27.91735 7.250846  219.4813       112.1272 181.5553       
186.1565 241.0749       140.4664 26.48786 10.73282 29.34684 9.752213 -2.858982 
14.50169 
1 1 1 -12 29  8  o 21.29201 6.419566  67.68301       98.87740 68.96585       
161.3259 66.91116       125.1364 22.02666 9.520674 20.55736 8.613946 1.469301 
12.83913 
1 1 1 -12 29  9  o 58.11354 5.384704  830.9183       123.4066 813.7689       
209.9424 839.9723       152.5426 56.09391 8.914677 60.13318 6.042242 -4.039268 
10.76941 
1 1 1 -12 29  10 o 26.53135 7.020510  174.7390       102.4584 245.6395       
170.5080 134.6698       128.1814 29.29698 10.67328 23.76572 9.123120 5.531260 
14.04102 
1 1 1 -12 29  11 o 58.28053 5.319275  796.5511       121.6055 933.7906       
219.3199 735.6300       146.1243 60.42957 8.644694 56.13150 6.200646 4.298065 
10.63855 
1 1 1 -12 29  12 o 23.81838 6.677760  131.3993       100.5408 74.17714       
169.8074 162.2881       124.7599 22.48873 9.744679 25.14804 9.132969 -2.659309 
13.35552 
1 1 1 -12 29  13 o 71.43267 5.319743  1324.945       141.5681 1009.175       
241.6812 1489.887       174.6714 61.75726 9.321288 81.10808 5.129546 -19.35081 
10.63949 
1 1 1 -12 29  14 o 25.81129 6.673911  177.2501       93.86291 159.5711       
151.6570 188.2270       119.5010 25.10978 9.861732 26.51280 8.995029 -1.403023 
13.34782 
1 1 1 -12 29  15 o 32.52130 6.611850  286.3159       93.59100 351.5571       
149.3618 244.1402       120.0907 35.15342 9.772861 29.88919 8.908278 5.264225 
13.22370 
1 1 1 -12 29  16 o 58.40097 4.326369  751.2030       101.8835 1128.107       
168.3442 533.3602       127.9836 69.56271 5.764248 47.23923 6.453163 22.32347 
8.652738 
1 1 1 -12 29  17 o 21.19783 6.184754  91.93127       89.79076 61.51696       
137.1332 114.7562       118.7979 20.35340 8.787375 22.04227 8.705559 -1.688871 
12.36951 
1 1 1 -12 29  18 o 25.25672 6.018386  115.5849       93.12452 354.1809       
142.9631 -60.26919      122.7350 34.78899 9.516405 15.72446 7.370341 19.06453 
12.03677 
1 1 1 -12 29  19 o 47.13579 5.792503  529.6715       106.4762 964.5595       
183.0443 307.2612       130.9016 61.90438 7.042970 32.36720 9.198313 29.53719 
11.58501 
1 1 1 -12 29  20 o 18.09448 5.710889  21.77057       89.51650 -29.94028      
140.1728 57.38400       116.3268 17.25795 8.020676 18.93102 8.131777 -1.673061 
11.42178 
1 1 1 -12 29  21 o 27.27227 5.953782  152.1121       90.24572 431.8329       
148.1670 -12.85985      113.7874 38.25205 9.302647 16.29249 7.433092 21.95957 
11.90756 
1 1 1 -12 30  3  f 38.17657 6.957475  369.6563       106.2233 717.9900       
205.1620 242.0799       124.1608 48.00169 10.47037 28.35147 9.164995 19.65022 
13.91495 
1 1 1 -12 30  4  o 44.12537 6.482027  495.0135       106.7919 756.3836       
206.0890 399.0697       124.8634 49.90691 10.18841 38.34384 8.016417 11.56308 
12.96405 
1 1 1 -12 30  5  f 57.47427 6.118008  903.4628       145.7538 942.6145       
224.7031 875.0244       191.5076 57.45989 9.314623 57.48864 7.934600 
-0.2875137E-01 12.23602 
1 1 1 -12 30  6  o 54.72843 6.027995  800.5635       129.3604 859.4742       
215.5242 767.3896       161.7328 54.18064 9.837560 55.27622 6.969167 -1.095581 
12.05599 
1 1 1 -12 30  7  o 24.51436 6.945963  166.0002       107.8637 203.3642       
164.3042 137.7009       142.9914 25.92895 10.23884 23.09977 9.388912 2.829172 
13.89193 
1 1 1 -12 30  8  o 23.25314 6.675767  100.0722       103.3164 263.3109       
169.5612 3.680117       130.2974 28.60499 10.61360 17.90129 8.100309 10.70370 
13.35153 
1 1 1 -12 30  9  o 34.84034 6.949348  372.0547       106.4913 333.4508       
175.7652 394.4444       133.8568 31.81837 10.90858 37.86231 8.612594 -6.043941 
13.89870 
1 1 1 -12 30  10 o 41.82490 6.693466  536.6112       114.8794 396.6467       
196.8007 608.9543       141.4868 33.94051 11.54331 49.70929 6.779530 -15.76878 
13.38693 
1 1 1 -12 30  11 o 33.49110 7.012586  371.5087       117.3850 210.9211       
201.6619 453.8037       144.3626 26.37428 10.98581 40.60793 8.718796 -14.23365 
14.02517 
1 1 1 -12 30  12 o 78.36272 4.620512  1461.971       147.9353 1670.983       
243.6342 1339.904       186.1883 81.68557 7.104179 75.03986 5.909918 6.645706 
9.241023 
1 1 1 -12 30  13 o 35.60433 6.655341  267.1349       113.2361 776.2339       
210.2298 59.06935       134.3982 51.30899 10.11970 19.89967 8.646729 31.40932 
13.31068 
1 1 1 -12 30  14 o 19.48482 6.044455  35.78981       95.98185 110.5665       
143.7953 -24.29802      128.9006 22.00900 9.228559 16.96064 7.808677 5.048365 
12.08891 
1 1 1 -12 30  15 o 21.89474 5.766625  34.75853       89.68642 282.0611       
135.3381 -158.8815      119.7577 30.49846 9.532644 13.29103 6.491884 17.20743 
11.53325 
1 1 1 -12 30  16 o 27.88096 6.111475  183.5791       93.91243 421.7556       
146.8204 18.65315       122.1747 37.96162 9.277884 17.80030 7.957473 20.16132 
12.22295 
1 1 1 -12 30  17 f 30.84387 6.160559  251.6385       93.79709 473.7284       
147.0732 99.37634       121.7769 40.85555 8.824987 20.83219 8.598228 20.02337 
12.32112 
1 1 1 -12 30  18 f 22.00135 6.376033  114.2985       93.87925 177.8497       
143.6397 66.90913       124.0375 24.48235 9.602100 19.52035 8.391356 4.961994 
12.75207 
1 1 1 -11 -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 1  o 88.26676 1.866955  1637.027       69.18468 1637.027       
69.18468 0.000000       0.000000 88.26676 1.866955 ?        ?        ? ? 
1 1 1 -11 -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 1  o 66.56575 2.103291  995.7804       53.42697 1114.316       
65.80212 766.4628       91.52382 72.81266 2.152554 60.31884 3.614117 12.49382 
4.206582 
1 1 1 -11 -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 1  o 57.76215 2.085261  673.4446       46.04701 636.1910       
54.11631 771.1747       87.65111 55.01065 2.343163 60.51364 3.450048 -5.502995 
4.170521 
1 1 1 -11 -20 2  o 82.30404 1.509881  1414.672       51.99242 1582.756       
76.90410 1273.170       70.56144 86.77931 2.110835 77.82877 2.159476 8.950546 
3.019762 
1 1 1 -11 -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -20 22 o 45.30845 6.391301  506.5118       121.5759 0.000000       
0.000000 506.5118       121.5759 ?        ?        45.30845 6.391301 ? ? 
1 1 1 -11 -19 1  o 152.8274 2.727259  4920.444       174.9868 4935.857       
247.8402 4905.123       247.0988 153.0661 3.856681 152.5888 3.857173 0.4773560 
5.454519 
1 1 1 -11 -19 2  o 159.6455 2.956377  5372.926       198.1204 5248.534       
277.8243 5501.635       282.6060 157.7636 4.194542 161.5275 4.167312 -3.763870 
5.912755 
1 1 1 -11 -19 3  o 42.88296 2.326227  388.5098       40.97829 380.5275       
64.69411 393.8584       52.95644 42.50028 3.625718 43.26563 2.915391 
-0.7653542     4.652454 
1 1 1 -11 -19 4  o 116.5650 3.367230  2861.111       164.7859 2861.111       
164.7859 0.000000       0.000000 116.5650 3.367230 ?        ?        ? ? 
1 1 1 -11 -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -19 18 o 61.02333 4.386798  809.9942       112.3887 0.000000       
0.000000 809.9942       112.3887 ?        ?        61.02333 4.386798 ? ? 
1 1 1 -11 -19 19 o 45.85513 4.358171  459.7041       83.90176 0.000000       
0.000000 459.7041       83.90176 ?        ?        45.85513 4.358171 ? ? 
1 1 1 -11 -19 20 o 23.68494 7.003816  136.0089       74.43869 0.000000       
0.000000 136.0089       74.43869 ?        ?        23.68494 7.003816 ? ? 
1 1 1 -11 -19 21 o 26.39584 6.889496  172.9711       77.15656 0.000000       
0.000000 172.9711       77.15656 ?        ?        26.39584 6.889496 ? ? 
1 1 1 -11 -19 22 o 17.19257 6.963966  52.66344       78.33446 0.000000       
0.000000 52.66344       78.33446 ?        ?        17.19257 6.963966 ? ? 
1 1 1 -11 -18 1  o 125.1357 2.785816  3290.834       146.1284 3186.331       
200.0308 3410.428       213.9879 123.0162 3.873073 127.2552 4.005297 -4.239037 
5.571633 
1 1 1 -11 -18 2  o 82.42325 2.465833  1438.695       84.79939 1550.044       
116.8293 1314.711       123.2793 85.82958 3.242172 79.01692 3.716133 6.812660 
4.931665 
1 1 1 -11 -18 3  o 71.61523 2.162894  1081.421       63.07272 1069.439       
102.2485 1088.781       80.13555 71.27393 3.417020 71.95652 2.652627 
-0.6825867     4.325789 
1 1 1 -11 -18 4  o 76.00240 1.896372  1229.050       59.19399 1140.699       
92.04575 1291.357       77.29815 73.62923 2.977656 78.37555 2.349144 -4.746315 
3.792745 
1 1 1 -11 -18 5  o 147.2065 2.367858  4466.851       121.2626 4735.708       
262.0188 4393.570       136.7939 149.8421 4.165044 144.5709 2.253755 5.271194 
4.735716 
1 1 1 -11 -18 6  f 100.4010 2.885078  2120.811       121.6114 0.000000       
0.000000 2120.811       121.6114 ?        ?        100.4010 2.885078 ? ? 
1 1 1 -11 -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -18 13 o 30.44666 4.247156  196.8242       54.28963 196.8242       
54.28963 0.000000       0.000000 30.44666 4.247156 ?        ?        ? ? 
1 1 1 -11 -18 14 f 17.54697 4.686042  50.21336       46.85424 45.09095       
72.83456 53.82975       61.19802 17.66437 6.855977 17.42956 6.389956 0.2348118 
9.372084 
1 1 1 -11 -18 15 o 30.42272 4.289256  206.3321       52.95311 194.0427       
82.01127 215.1189       69.34599 29.23121 6.803938 31.61423 5.224681 -2.383013 
8.578512 
1 1 1 -11 -18 16 o 68.19073 2.748037  1020.904       75.75617 869.0358       
119.0901 1124.128       98.18242 63.62834 4.458061 72.75312 3.214424 -9.124779 
5.496074 
1 1 1 -11 -18 17 o 26.16031 5.105703  159.1247       57.80173 154.2617       
86.06181 163.1211       78.01702 25.79163 7.500360 26.52898 6.929460 
-0.7373486     10.21141 
1 1 1 -11 -18 18 o 99.94936 3.142622  2201.964       127.3567 2000.080       
202.9160 2333.179       163.5903 95.64817 5.053133 104.2505 3.737665 -8.602364 
6.285244 
1 1 1 -11 -18 19 o 72.52817 4.001138  1137.997       121.8342 0.000000       
0.000000 1137.997       121.8342 ?        ?        72.52817 4.001138 ? ? 
1 1 1 -11 -18 20 o 12.58665 5.911583  -71.34258      80.43062 0.000000       
0.000000 -71.34258      80.43062 ?        ?        12.58665 5.911583 ? ? 
1 1 1 -11 -18 21 o 34.19244 6.537647  278.8198       90.49683 0.000000       
0.000000 278.8198       90.49683 ?        ?        34.19244 6.537647 ? ? 
1 1 1 -11 -18 22 o 34.50106 6.297027  286.2801       87.82667 0.000000       
0.000000 286.2801       87.82667 ?        ?        34.50106 6.297027 ? ? 
1 1 1 -11 -18 23 o 23.89904 6.227320  135.5687       71.57652 222.9355       
151.6565 110.5303       81.18773 26.88883 10.02547 20.90924 7.389724 5.979591 
12.45464 
1 1 1 -11 -17 1  o 75.95035 2.618620  1219.305       83.11137 1313.090       
115.3872 1118.189       119.8121 79.00977 3.478546 72.89091 3.915150 6.118858 
5.237240 
1 1 1 -11 -17 2  o 62.71491 2.710562  836.8669       70.40562 896.3744       
94.35625 762.1166       105.7527 65.27406 3.443112 60.15576 4.187310 5.118294 
5.421124 
1 1 1 -11 -17 3  o 107.4229 2.115405  2450.375       91.69934 2339.660       
150.5277 2515.708       115.6320 105.4455 3.400239 109.4002 2.517565 -3.954735 
4.230811 
1 1 1 -11 -17 4  o 119.0037 2.289808  2947.814       99.34268 3045.434       
199.3900 2915.579       114.5764 120.2291 3.950162 117.7784 2.317131 2.450706 
4.579615 
1 1 1 -11 -17 5  o 119.8615 2.123850  3031.248       104.0256 2985.706       
166.9133 3060.171       133.0186 119.0907 3.338368 120.6323 2.626453 -1.541626 
4.247701 
1 1 1 -11 -17 6  o 63.37547 2.155097  868.1324       55.38518 742.2531       
86.71183 954.8770       71.98175 59.36558 3.479082 67.38536 2.544356 -8.019783 
4.310193 
1 1 1 -11 -17 7  o 117.3864 2.079083  2910.786       97.68820 2861.286       
164.5656 2937.720       121.3894 116.5703 3.362577 118.2025 2.446104 -1.632256 
4.158167 
1 1 1 -11 -17 8  o 118.3104 2.553034  2971.383       111.8069 2900.105       
216.1011 2997.437       130.6531 117.2348 4.390574 119.3859 2.606679 -2.151085 
5.106067 
1 1 1 -11 -17 9  o 115.2583 2.158052  2773.965       99.61609 2868.539       
169.7128 2724.253       123.0421 116.7022 3.463830 113.8144 2.575002 2.887794 
4.316103 
1 1 1 -11 -17 10 o 73.67574 2.017998  1135.808       60.29448 1167.325       
99.67612 1117.622       75.71844 74.45412 3.188771 72.89735 2.474064 1.556770 
4.035995 
1 1 1 -11 -17 11 o 104.2849 2.072843  2293.744       89.90903 2264.073       
136.3233 2316.586       119.6108 103.6634 3.132317 104.9063 2.715750 -1.242920 
4.145685 
1 1 1 -11 -17 12 o 38.02037 2.991584  307.5559       46.36053 298.8972       
74.58236 313.0082       59.18366 37.54335 4.731775 38.49738 3.661775 
-0.9540253     5.983168 
1 1 1 -11 -17 13 o 83.98704 2.384479  1490.141       79.92033 1489.046       
136.0125 1490.718       98.77013 83.88297 3.862123 84.09111 2.797671 
-0.2081451     4.768958 
1 1 1 -11 -17 14 o 38.27098 2.974813  324.7058       45.50143 253.5271       
71.18118 373.8875       59.16867 34.48862 4.915984 42.05335 3.351292 -7.564728 
5.949626 
1 1 1 -11 -17 15 f 88.32708 2.487549  1654.266       91.30567 1645.331       
139.1846 1661.016       120.9735 88.05754 3.764834 88.59662 3.252327 
-0.5390778     4.975099 
1 1 1 -11 -17 16 o 60.53415 2.981639  781.1788       74.59508 787.0527       
116.3265 777.0766       97.21419 60.64068 4.569154 60.42763 3.831909 0.2130508 
5.963279 
1 1 1 -11 -17 17 o 77.82743 3.017944  1248.979       94.16274 1464.047       
163.9088 1143.036       115.0407 82.45297 4.734968 73.20189 3.743262 9.251083 
6.035887 
1 1 1 -11 -17 18 o 80.88368 3.216982  1397.116       97.35651 1447.952       
187.0770 1378.234       114.0116 81.37402 5.475903 80.39335 3.377926 0.9806747 
6.433964 
1 1 1 -11 -17 19 o 16.39165 4.932805  5.014499       59.09081 42.90995       
93.39138 -20.28468      76.30737 18.59408 7.577634 14.18921 6.317415 4.404870 
9.865610 
1 1 1 -11 -17 20 o 75.79008 3.373685  1242.854       95.50673 1295.955       
183.8596 1223.231       111.7694 76.15496 5.750548 75.42520 3.529616 0.7297592 
6.747369 
1 1 1 -11 -17 21 o 46.82650 3.506558  498.2293       66.88927 390.1288       
98.55076 590.5648       91.08157 41.63121 5.638480 52.02179 4.170291 -10.39058 
7.013115 
1 1 1 -11 -17 22 o 27.22297 5.426060  186.0035       64.66420 190.7312       
92.47200 181.4793       90.45919 27.54506 7.700114 26.90087 7.647008 0.6441822 
10.85212 
1 1 1 -11 -17 23 o 19.63743 5.987588  49.89672       81.28205 47.56093       
161.3217 50.69146       94.09924 21.07257 9.304858 18.20229 7.538199 2.870272 
11.97518 
1 1 1 -11 -17 24 o 36.85529 6.173209  386.6044       91.50532 369.4293       
162.7641 394.5415       110.6467 33.80441 10.43162 39.90617 6.604192 -6.101761 
12.34642 
1 1 1 -11 -16 1  o 69.13980 2.691231  1006.766       77.99864 1034.450       
108.3017 976.9327       112.4275 70.13314 3.678180 68.14647 3.929616 1.986671 
5.382461 
1 1 1 -11 -16 2  o 141.1362 2.686654  4151.059       155.7034 4376.924       
250.4330 4008.732       198.7974 144.2071 4.136434 138.0653 3.429629 6.141724 
5.373309 
1 1 1 -11 -16 3  f 183.5435 2.954419  7010.242       218.3301 7382.844       
369.1156 6809.728       270.7773 187.1775 4.697100 179.9096 3.584916 7.267899 
5.908838 
1 1 1 -11 -16 4  o 51.37627 2.209374  546.2994       46.54044 595.1508       
75.64819 516.5486       59.03497 53.18616 3.387825 49.56638 2.836895 3.619789 
4.418747 
1 1 1 -11 -16 5  o 148.3862 2.757406  4484.802       134.4218 4886.670       
315.7217 4395.825       148.5593 152.1600 4.942252 144.6124 2.446896 7.547638 
5.514812 
1 1 1 -11 -16 6  o 50.06366 2.295899  520.0244       47.24235 563.1997       
76.15513 493.0157       60.23274 51.71787 3.507354 48.40944 2.963627 3.308426 
4.591799 
1 1 1 -11 -16 7  o 98.05798 2.300203  1975.178       81.81731 2122.075       
166.9923 1928.777       93.85383 100.3311 3.964442 95.78491 2.333866 4.546150 
4.600406 
1 1 1 -11 -16 8  o 74.17343 1.932167  1155.502       58.67175 1165.212       
94.23360 1149.355       74.97756 74.41096 3.016407 73.93590 2.415444 0.4750671 
3.864334 
1 1 1 -11 -16 9  o 119.6885 2.706330  2970.864       115.2570 3110.246       
240.4527 2929.287       131.3271 121.3596 4.719289 118.0174 2.650509 3.342224 
5.412660 
1 1 1 -11 -16 10 o 186.2443 2.702375  7293.111       194.8698 7357.122       
352.4670 7264.931       233.8629 186.6868 4.497031 185.8019 2.998005 0.8849335 
5.404750 
1 1 1 -11 -16 11 o 87.82581 2.463457  1645.757       79.72586 1582.065       
154.5571 1668.849       93.06284 86.57345 4.252315 89.07817 2.488434 -2.504723 
4.926914 
1 1 1 -11 -16 12 o 171.6421 2.199937  6000.586       146.8215 5686.091       
174.9123 6750.708       270.1343 164.3856 2.534414 178.8986 3.596614 -14.51302 
4.399873 
1 1 1 -11 -16 13 o 119.0222 2.247525  2994.372       111.9686 2880.308       
162.8970 3096.526       154.1591 116.8437 3.320696 121.2008 3.029597 -4.357109 
4.495050 
1 1 1 -11 -16 14 o 52.82353 2.657479  602.6821       56.83380 538.6091       
90.66275 644.1600       72.94582 50.40121 4.284588 55.24586 3.145008 -4.844654 
5.314957 
1 1 1 -11 -16 15 o 76.86543 2.429960  1211.562       72.93783 1353.271       
132.8831 1150.460       87.25701 79.88840 3.961932 73.84245 2.814591 6.045944 
4.859921 
1 1 1 -11 -16 16 o 54.52513 2.692667  633.8406       58.48633 622.2853       
99.39948 639.9597       72.33282 54.04514 4.380750 55.00511 3.132229 
-0.9599686     5.385334 
1 1 1 -11 -16 17 o 39.26315 4.040072  329.7883       65.53848 355.7607       
103.7381 312.5359       84.54866 40.44888 6.108758 38.07742 5.288838 2.371452 
8.080145 
1 1 1 -11 -16 18 o 61.63952 3.113048  823.4368       76.41771 790.7526       
129.0049 841.1051       94.84975 60.45844 5.082415 62.82060 3.596294 -2.362156 
6.226096 
1 1 1 -11 -16 19 o 35.02330 3.933055  265.1835       55.65437 342.4844       
86.14408 209.8027       72.91422 39.63990 5.176235 30.40670 5.923029 9.233204 
7.866109 
1 1 1 -11 -16 20 o 22.09041 5.520767  104.7326       64.06655 96.35332       
89.27445 113.6303       91.99432 21.47721 7.732994 22.70361 7.881388 -1.226398 
11.04153 
1 1 1 -11 -16 21 o 78.20627 2.862817  1347.624       92.03392 1191.369       
139.8500 1466.992       122.2329 73.84077 4.511150 82.57177 3.525961 -8.731003 
5.725634 
1 1 1 -11 -16 22 o 49.95638 3.302606  549.5266       69.15502 570.5895       
101.3319 531.1640       94.61339 50.80859 4.750397 49.10415 4.589395 1.704441 
6.605212 
1 1 1 -11 -16 23 o 27.80112 6.206866  192.6457       77.76765 166.1568       
95.78222 243.8862       133.2171 25.61030 8.022408 29.99195 9.473210 -4.381649 
12.41373 
1 1 1 -11 -16 24 o 22.80397 8.349741  131.3121       104.4646 0.000000       
0.000000 131.3121       104.4646 ?        ?        22.80397 8.349741 ? ? 
1 1 1 -11 -16 25 o 35.01230 5.468508  329.9872       78.39062 299.2784       
110.7416 360.8288       110.9809 32.96198 8.058779 37.06263 7.394213 -4.100655 
10.93702 
1 1 1 -11 -15 1  o 182.6757 3.732058  7024.438       286.0991 6926.561       
397.6890 7129.434       411.8952 181.3634 5.222939 183.9879 5.332348 -2.624557 
7.464116 
1 1 1 -11 -15 2  o 104.0780 2.639801  2256.403       114.4322 2118.201       
150.8797 2443.552       175.5768 100.3692 3.580562 107.7868 3.879919 -7.417534 
5.279602 
1 1 1 -11 -15 3  o 223.3500 3.473120  10501.85       310.2599 10530.07       
526.1177 10486.81       384.1701 223.4617 5.607907 223.2383 4.098980 0.2234039 
6.946241 
1 1 1 -11 -15 4  o 112.4143 2.223513  2655.749       101.0196 2661.853       
167.3700 2652.250       126.7005 112.4912 3.543890 112.3375 2.686425 0.1537323 
4.447025 
1 1 1 -11 -15 5  o 55.52025 2.442452  692.9528       53.07871 487.8090       
83.52831 831.8981       68.74272 48.12849 4.133830 62.91201 2.602641 -14.78352 
4.884904 
1 1 1 -11 -15 6  o 139.1956 2.639828  4073.026       133.8147 4092.449       
267.1569 4066.520       154.6072 139.3130 4.567679 139.0781 2.647842 0.2349548 
5.279656 
1 1 1 -11 -15 7  o 146.2524 2.640100  4423.614       151.9541 4738.597       
270.4532 4278.314       183.6882 149.9071 4.297254 142.5977 3.068244 7.309372 
5.280200 
1 1 1 -11 -15 8  o 159.6222 2.909019  5286.643       173.9782 5564.363       
336.0427 5184.942       203.3533 162.2825 4.932235 156.9618 3.085876 5.320755 
5.818038 
1 1 1 -11 -15 9  o 113.6837 2.072431  2765.375       94.92812 2547.290       
154.7468 2896.959       120.2017 109.9880 3.351177 117.3794 2.439158 -7.391396 
4.144862 
1 1 1 -11 -15 10 f 138.4064 2.729346  4056.531       152.1419 3968.607       
252.4674 4106.669       190.6473 137.1428 4.384836 139.6700 3.251237 -2.527161 
5.458693 
1 1 1 -11 -15 11 o 73.83342 2.244948  1173.491       67.25521 1034.485       
106.2745 1266.352       86.86171 70.07340 3.612409 77.59344 2.666395 -7.520035 
4.489895 
1 1 1 -11 -15 12 o 112.7714 2.694099  2634.035       106.8660 2769.166       
226.8503 2595.494       121.1512 114.4631 4.720578 111.0797 2.597850 3.383324 
5.388198 
1 1 1 -11 -15 13 o 47.16612 2.548413  462.1597       49.60579 506.8382       
79.07991 433.1735       63.69611 49.00134 3.843964 45.33091 3.346875 3.670425 
5.096826 
1 1 1 -11 -15 14 o 112.1466 2.238056  2622.564       104.6223 2414.995       
138.2355 2900.887       160.0710 107.0248 3.076496 117.2684 3.251268 -10.24361 
4.476111 
1 1 1 -11 -15 15 o 99.66724 2.681569  2063.493       108.0259 2241.826       
182.1220 1966.694       134.1785 102.8350 4.218351 96.49949 3.311914 6.335487 
5.363139 
1 1 1 -11 -15 16 o 68.07769 2.665488  981.2242       71.75421 984.1946       
124.4961 979.7467       87.80519 68.04874 4.357693 68.10664 3.070802 
-0.5790710E-01 5.330977 
1 1 1 -11 -15 17 o 50.40982 2.486355  537.2225       52.50682 490.1876       
72.36250 589.5237       76.30606 48.07621 3.585126 52.74343 3.445971 -4.667221 
4.972710 
1 1 1 -11 -15 18 o 78.63142 2.428133  1326.385       78.95198 1224.124       
119.7634 1404.985       104.9978 75.83263 3.761744 81.43021 3.071255 -5.597580 
4.856266 
1 1 1 -11 -15 19 o 19.14690 5.158397  61.64960       57.60954 49.19757       
80.85056 74.49210       82.10838 18.30579 7.197010 19.98801 7.391840 -1.682222 
10.31679 
1 1 1 -11 -15 20 o 60.25752 2.989581  779.9319       75.50985 728.8586       
103.5928 837.8291       110.2963 58.15383 4.242992 62.36121 4.212767 -4.207382 
5.979163 
1 1 1 -11 -15 21 o 61.35749 3.270879  819.4473       84.21603 798.9980       
116.8639 841.5398       121.4684 60.57652 4.595124 62.13845 4.656117 -1.561935 
6.541757 
1 1 1 -11 -15 22 o 53.01552 5.843537  631.9251       130.0642 631.9251       
130.0642 0.000000       0.000000 53.01552 5.843537 ?        ?        ? ? 
1 1 1 -11 -15 23 o 30.64822 5.772008  251.0711       77.10991 171.9374       
131.5057 292.5349       95.19160 26.26400 9.392525 35.03243 6.711543 -8.768425 
11.54402 
1 1 1 -11 -15 24 o 47.73457 4.067331  523.9828       81.45723 502.0517       
114.8916 546.1494       115.5067 46.64650 5.866651 48.82264 5.635170 -2.176147 
8.134663 
1 1 1 -11 -15 25 o 19.74037 5.612042  77.65982       73.10744 34.48181       
107.4994 114.8129       99.71766 17.91127 7.757191 21.56948 8.112093 -3.658209 
11.22408 
1 1 1 -11 -14 1  f 152.5065 3.438612  4891.750       219.2524 4915.213       
325.5845 4872.281       296.5804 152.8251 5.074462 152.1878 4.641771 0.6373596 
6.877223 
1 1 1 -11 -14 2  o 64.29710 3.008204  838.9452       79.42162 731.1188       
100.3243 1019.971       129.9913 58.96325 4.052712 69.63096 4.446651 -10.66771 
6.016409 
1 1 1 -11 -14 3  o 102.9610 2.296920  2197.719       94.24590 2323.987       
163.1119 2134.438       115.4721 105.1313 3.695514 100.7908 2.728835 4.340530 
4.593839 
1 1 1 -11 -14 4  o 107.1739 2.570378  2359.340       99.48442 2526.240       
204.2708 2307.444       113.9061 109.5528 4.441236 104.7950 2.588973 4.757759 
5.140755 
1 1 1 -11 -14 5  o 185.2077 3.138349  7232.062       226.3893 7198.555       
403.7865 7247.422       273.4032 184.7866 5.204781 185.6288 3.508159 
-0.8422241     6.276697 
1 1 1 -11 -14 6  o 120.0296 2.521346  3007.897       111.4796 3080.238       
219.7797 2982.838       129.3553 120.9280 4.328944 119.1312 2.586305 1.796745 
5.042691 
1 1 1 -11 -14 7  o 53.80487 2.407915  627.7747       52.74530 499.2095       
79.24806 730.0209       70.67255 48.68883 3.876863 58.92092 2.856948 -10.23209 
4.815830 
1 1 1 -11 -14 8  o 41.97199 2.619874  363.6908       44.72867 400.0081       
74.42358 343.1555       55.96344 43.56551 4.069011 40.37847 3.301229 3.187035 
5.239748 
1 1 1 -11 -14 9  o 51.77619 2.385432  560.8491       50.21851 578.7656       
82.55959 550.3271       63.26898 52.40974 3.752119 51.14264 2.946652 1.267109 
4.770864 
1 1 1 -11 -14 10 o 75.73359 2.078773  1226.642       64.53829 1102.809       
99.83790 1315.535       84.58796 72.37389 3.285750 79.09328 2.547358 -6.719391 
4.157546 
1 1 1 -11 -14 11 o 52.71243 2.643657  606.9666       53.62237 529.6544       
94.23467 643.9870       65.20890 50.09576 4.480546 55.32911 2.807206 -5.233356 
5.287314 
1 1 1 -11 -14 12 o 232.3221 3.537383  11370.60       333.7997 11560.13       
548.1210 11258.88       420.8379 233.6569 5.587518 230.9873 4.339581 2.669556 
7.074766 
1 1 1 -11 -14 13 o 79.76323 2.400719  1310.252       73.77356 1415.837       
136.8238 1266.975       87.59766 81.92474 3.978027 77.60172 2.688699 4.323021 
4.801438 
1 1 1 -11 -14 14 o 90.75055 2.241660  1733.092       80.69214 1742.818       
139.3113 1728.181       98.98810 90.88492 3.651032 90.61619 2.601946 0.2687302 
4.483320 
1 1 1 -11 -14 15 o 15.89952 4.445763  29.76503       44.06160 38.30936       
63.82093 21.98331       60.90623 16.58233 6.421506 15.21671 6.150080 1.365620 
8.891525 
1 1 1 -11 -14 16 o 14.68380 4.311092  10.91893       43.55707 1.640229       
57.94243 22.97539       66.04850 13.62047 5.791036 15.74714 6.387956 -2.126671 
8.622185 
1 1 1 -11 -14 17 o 55.00327 2.587672  628.7552       59.05718 513.9612       
78.14200 781.6614       90.18565 49.24253 3.779769 60.76401 3.535185 -11.52148 
5.175344 
1 1 1 -11 -14 18 o 44.22947 3.022488  417.6457       56.02094 435.2714       
78.07447 398.9409       80.42914 45.21772 4.112647 43.24122 4.430335 1.976505 
6.044976 
1 1 1 -11 -14 19 o 32.66008 3.774044  234.0408       50.53506 248.5459       
71.04353 219.1844       71.89887 33.97322 4.980913 31.34694 5.671343 2.626278 
7.548088 
1 1 1 -11 -14 20 o 32.28911 4.930154  246.2508       65.66592 296.5575       
86.94212 179.4419       100.1923 36.84899 5.619863 27.72923 8.102025 9.119761 
9.860308 
1 1 1 -11 -14 21 o 55.25808 8.250778  708.6518       191.4122 708.6518       
191.4122 0.000000       0.000000 55.25808 8.250778 ?        ?        ? ? 
1 1 1 -11 -14 22 o 79.97710 3.046968  1388.990       102.2768 1405.878       
143.4687 1371.539       145.8431 80.51089 4.244472 79.44331 4.372700 1.067589 
6.093935 
1 1 1 -11 -14 23 o 49.53996 4.196910  544.5848       85.44797 718.4812       
129.4309 410.2414       113.7629 56.71329 5.435935 42.36663 6.395844 14.34665 
8.393820 
1 1 1 -11 -14 24 o 51.72321 4.069653  600.8972       87.27641 745.6089       
130.8736 484.9971       117.1229 57.48591 5.422651 45.96050 6.069855 11.52541 
8.139305 
1 1 1 -11 -14 25 o 53.78946 4.004736  662.7814       90.12800 721.7093       
134.3929 614.6171       121.5005 55.89407 5.727059 51.68484 5.599327 4.209225 
8.009473 
1 1 1 -11 -14 26 o 26.82276 6.123498  204.1894       78.20971 212.5300       
115.6999 197.1716       106.1293 27.16529 8.850818 26.48024 8.464747 0.6850471 
12.24700 
1 1 1 -11 -13 1  o 207.3812 4.192329  8975.098       354.3002 8732.883       
447.1189 9383.838       580.8271 203.7241 5.227592 211.0383 6.555514 -7.314163 
8.384658 
1 1 1 -11 -13 2  o 217.2362 4.702797  9946.903       428.8351 9690.779       
603.7222 10207.74       609.2443 214.4062 6.706884 220.0662 6.594156 -5.659943 
9.405594 
1 1 1 -11 -13 3  o 203.2637 3.763392  8560.016       266.1562 8947.534       
573.0620 8453.434       300.5371 205.9859 6.626516 200.5416 3.569561 5.444290 
7.526784 
1 1 1 -11 -13 4  o 243.2436 3.934381  12428.44       400.9243 11936.36       
545.7261 13005.47       590.9564 238.0441 5.460575 248.4431 5.665647 -10.39902 
7.868763 
1 1 1 -11 -13 5  o 107.3827 2.392034  2434.976       105.0797 2375.749       
167.6868 2473.271       134.8373 106.2836 3.757975 108.4818 2.960562 -2.198273 
4.784068 
1 1 1 -11 -13 6  o 103.7391 2.241205  2259.518       94.36172 2274.574       
154.9379 2250.642       118.9712 103.9930 3.548743 103.4851 2.738326 0.5079498 
4.482410 
1 1 1 -11 -13 7  o 71.81488 2.206939  1056.726       63.52920 1176.455       
109.7342 996.3660       77.91437 74.78017 3.495236 68.84959 2.695487 5.930580 
4.413879 
1 1 1 -11 -13 8  o 44.45692 2.864413  412.0687       52.78980 442.1787       
82.54488 391.2314       68.66811 45.80771 4.292127 43.10612 3.794349 2.701595 
5.728825 
1 1 1 -11 -13 9  o 115.0687 2.405042  2820.056       107.2493 2700.927       
191.1266 2874.808       129.5722 113.2103 4.021204 116.9271 2.639476 -3.716759 
4.810085 
1 1 1 -11 -13 10 o 62.11943 2.225994  821.5473       57.18151 748.2544       
86.38932 878.6962       76.28394 59.60857 3.452013 64.63029 2.811370 -5.021713 
4.451988 
1 1 1 -11 -13 11 o 103.8057 2.719573  2281.169       106.3753 2248.387       
200.3424 2294.041       125.5325 103.1905 4.624388 104.4210 2.863450 -1.230469 
5.439147 
1 1 1 -11 -13 12 o 18.37571 4.330656  63.77724       44.23718 -14.53692      
73.95440 107.4108       55.20191 14.62810 6.385231 22.12332 5.852107 -7.495214 
8.661312 
1 1 1 -11 -13 13 o 81.83781 2.556257  1441.035       82.75964 1318.116       
140.0050 1507.055       102.6051 79.04413 4.218858 84.63151 2.887739 -5.587379 
5.112514 
1 1 1 -11 -13 14 o 30.18019 4.181409  197.1734       50.25722 196.5594       
82.47168 197.5361       63.38626 29.80345 6.747162 30.55694 4.940903 
-0.7534904     8.362818 
1 1 1 -11 -13 15 o 125.3783 2.265715  3247.441       115.4595 3065.713       
144.3011 3570.802       192.4877 120.6537 2.848722 130.1029 3.524009 -9.449226 
4.531430 
1 1 1 -11 -13 16 o 71.44994 2.070227  1072.962       61.62022 1051.162       
81.81795 1101.533       93.66733 70.63077 2.759152 72.26910 3.087142 -1.638329 
4.140455 
1 1 1 -11 -13 17 o 68.94505 2.134334  987.3356       61.28269 871.1673       
80.81417 1144.532       94.00816 64.25098 2.995910 73.63912 3.040731 -9.388138 
4.268668 
1 1 1 -11 -13 18 o 95.82729 2.288138  1941.121       91.89026 1927.547       
126.0300 1956.526       134.2655 95.48972 3.143680 96.16486 3.325594 
-0.6751404     4.576276 
1 1 1 -11 -13 19 o 64.20444 2.768270  872.7302       74.43584 948.9661       
109.8241 807.9513       101.2359 66.78477 3.916889 61.62409 3.912958 5.160683 
5.536539 
1 1 1 -11 -13 20 o 34.20569 10.35495  280.9857       161.4152 280.9857       
161.4152 0.000000       0.000000 34.20569 10.35495 ?        ?        ? ? 
1 1 1 -11 -13 21 o 31.67913 5.264265  232.8592       69.12443 190.7866       
94.75623 280.7173       101.0615 28.51681 7.724022 34.84145 7.154677 -6.324648 
10.52853 
1 1 1 -11 -13 22 o 24.47406 5.880993  135.7408       72.12351 134.4298       
98.61713 137.2483       105.7524 24.30858 8.171336 24.63953 8.460117 
-0.3309536     11.76199 
1 1 1 -11 -13 23 o 26.56787 5.809504  168.5721       72.07150 134.8246       
98.81775 206.9243       105.3440 24.10313 8.179643 29.03261 8.251956 -4.929482 
11.61901 
1 1 1 -11 -13 24 o 71.60687 3.368788  1124.930       100.1070 911.2586       
136.3280 1374.967       147.4732 64.03736 5.070756 79.17638 4.436480 -15.13902 
6.737576 
1 1 1 -11 -13 25 o 49.87714 4.193795  572.2307       87.38966 559.3298       
128.9393 583.1918       118.8514 49.11747 6.252741 50.63682 5.590607 -1.519344 
8.387589 
1 1 1 -11 -13 26 o 26.40227 5.905405  181.0291       84.35852 52.37104       
123.7415 292.7446       115.3065 19.63510 8.408949 33.16944 8.293660 -13.53434 
11.81081 
1 1 1 -11 -13 27 f 30.26849 6.386403  267.7613       87.24857 311.9360       
130.3206 231.8777       117.4559 32.44831 9.163966 28.08867 8.897543 4.359638 
12.77281 
1 1 1 -11 -12 1  f 130.4605 3.597915  3578.742       196.9734 3428.426       
276.0539 3734.648       281.1407 127.6674 5.150327 133.2536 5.025347 -5.586113 
7.195831 
1 1 1 -11 -12 2  o 243.2690 7.577452  12482.08       773.9072 12482.08       
773.9072 0.000000       0.000000 243.2690 7.577452 ?        ?        ? ? 
1 1 1 -11 -12 3  o 189.7600 3.631108  7672.715       264.7283 7337.064       
478.8754 7820.434       317.6845 186.6395 6.111392 192.8806 3.923093 -6.241135 
7.262215 
1 1 1 -11 -12 4  o 141.2043 2.627580  4195.477       155.4194 4124.332       
226.4631 4258.818       213.6854 140.0643 3.851155 142.3443 3.575656 -2.279968 
5.255161 
1 1 1 -11 -12 5  o 146.6995 2.960172  4505.168       168.8769 4583.537       
303.7505 4470.107       203.1722 147.5640 4.902952 145.8349 3.318362 1.729095 
5.920343 
1 1 1 -11 -12 6  o 97.51247 2.268577  1956.580       86.41982 2113.032       
156.2939 1887.684       103.7170 100.2385 3.713885 94.78642 2.606304 5.452103 
4.537154 
1 1 1 -11 -12 7  o 178.6439 3.728815  6743.914       244.7898 6694.009       
480.4679 6761.408       284.4801 178.0125 6.428873 179.2752 3.779660 -1.262695 
7.457629 
1 1 1 -11 -12 8  o 170.9093 2.899821  6141.062       203.0864 6192.301       
325.3063 6108.337       259.9705 171.4373 4.519686 170.3813 3.634320 1.056015 
5.799642 
1 1 1 -11 -12 9  o 159.0458 3.045581  5390.417       178.7391 5204.829       
346.1617 5457.885       208.7146 157.0077 5.251450 161.0840 3.086182 -4.076340 
6.091161 
1 1 1 -11 -12 10 o 145.7846 3.191364  4469.760       160.9247 4507.989       
346.1273 4459.217       181.7643 145.9773 5.647699 145.5919 2.973667 0.3853607 
6.382727 
1 1 1 -11 -12 11 o 143.7756 2.438819  4396.138       145.1863 4052.642       
219.2635 4664.333       193.7451 138.6808 3.765922 148.8705 3.099868 -10.18973 
4.877637 
1 1 1 -11 -12 12 o 58.45916 2.620736  664.7994       60.06374 878.0401       
111.6223 577.8915       71.25996 64.52491 4.120449 52.39341 3.239589 12.13150 
5.241473 
1 1 1 -11 -12 13 o 229.8252 5.277851  11398.17       446.6200 10948.60       
864.8580 11561.66       521.5438 225.8550 9.120867 233.7954 5.313440 -7.940399 
10.55570 
1 1 1 -11 -12 14 o 46.61577 2.546705  458.2142       49.80080 444.0994       
71.10603 471.8039       69.77090 45.90634 3.689392 47.32520 3.511583 -1.418858 
5.093410 
1 1 1 -11 -12 15 o 101.0520 2.228204  2150.671       94.53049 2133.985       
133.4779 2167.461       133.8957 100.6580 3.158510 101.4460 3.143786 
-0.7880096     4.456409 
1 1 1 -11 -12 16 o 133.3000 2.247157  3644.798       119.5620 3437.745       
145.9396 4067.432       208.5045 127.7731 2.720538 138.8268 3.577363 -11.05376 
4.494314 
1 1 1 -11 -12 17 o 107.8046 2.273287  2405.327       94.11953 2338.342       
111.6300 2570.029       175.0421 105.3691 2.523415 110.2400 3.782025 -4.870857 
4.546574 
1 1 1 -11 -12 18 o 102.3882 2.608704  2200.624       108.5725 2292.746       
178.9433 2146.951       136.5866 103.9694 4.099502 100.8070 3.227294 3.162384 
5.217408 
1 1 1 -11 -12 19 o 44.89983 8.419575  458.0467       152.8546 458.0467       
152.8546 0.000000       0.000000 44.89983 8.419575 ?        ?        ? ? 
1 1 1 -11 -12 20 o 36.56511 4.181847  288.5115       64.02942 309.9275       
94.81271 270.5551       86.81719 37.79446 5.975296 35.33575 5.852110 2.458714 
8.363693 
1 1 1 -11 -12 21 o 55.35176 3.217411  658.8609       74.48458 658.1511       
110.1486 659.4589       101.1057 55.26606 4.747242 55.43747 4.344034 
-0.1714058     6.434823 
1 1 1 -11 -12 22 o 48.67181 3.709823  507.0238       74.85127 457.4398       
96.93295 580.2598       117.8048 45.85409 5.035173 51.48954 5.449605 -5.635448 
7.419647 
1 1 1 -11 -12 23 o 63.25940 3.396874  874.7401       89.55905 884.7873       
120.1623 862.1841       134.3298 63.82444 4.484380 62.69435 5.103465 1.130089 
6.793749 
1 1 1 -11 -12 24 o 56.27538 3.615984  699.9858       85.37624 710.5353       
123.3362 690.2801       118.3016 56.64130 5.186547 55.90947 5.039951 0.7318382 
7.231969 
1 1 1 -11 -12 25 o 16.31497 5.209352  -32.98126      74.60913 -63.62352      
96.78901 11.88704       117.1212 14.28156 6.647978 18.34839 8.022080 -4.066831 
10.41870 
1 1 1 -11 -12 26 o 20.81855 5.934608  76.37608       81.95052 27.44344       
116.9220 123.6273       114.8956 18.64288 8.082255 22.99422 8.692262 -4.351336 
11.86922 
1 1 1 -11 -12 27 o 32.81776 6.362742  306.5845       90.68862 282.1137       
132.0618 328.4226       124.7559 31.14069 9.354034 34.49482 8.627861 -3.354128 
12.72548 
1 1 1 -11 -11 1  o 188.8681 2.921131  7500.482       231.4137 7112.856       
326.6393 7891.108       327.9010 183.9611 4.229252 193.7751 4.030565 -9.813965 
5.842262 
1 1 1 -11 -11 2  o 112.0910 3.262894  2638.709       152.5567 2667.409       
229.7433 2616.073       204.0334 112.6259 4.858762 111.5561 4.356413 1.069824 
6.525787 
1 1 1 -11 -11 3  o 319.5649 8.837918  21572.75       1185.736 0.000000       
0.000000 21572.75       1185.736 ?        ?        319.5649 8.837918 ? ? 
1 1 1 -11 -11 4  o 40.81827 3.412424  349.9788       56.70743 352.5060       
92.39989 348.4516       71.82468 40.92611 5.377644 40.71043 4.202320 0.2156868 
6.824847 
1 1 1 -11 -11 5  o 87.89179 2.178000  1601.206       76.87142 1697.256       
130.9387 1550.691       94.95818 89.86472 3.470562 85.91887 2.632479 3.945847 
4.356001 
1 1 1 -11 -11 6  o 80.47860 2.263401  1345.806       73.98524 1420.813       
122.5869 1302.831       92.79030 82.21172 3.551660 78.74548 2.806713 3.466232 
4.526801 
1 1 1 -11 -11 7  o 107.5843 2.567564  2427.114       98.72454 2446.819       
202.8533 2420.998       113.0114 107.8209 4.481262 107.3478 2.507554 0.4731064 
5.135128 
1 1 1 -11 -11 8  o 39.08537 3.039098  317.2390       48.36446 339.1119       
79.83701 304.5585       60.78804 40.12323 4.739467 38.04752 3.805511 2.075714 
6.078195 
1 1 1 -11 -11 9  o 298.2909 5.784099  18681.26       640.5411 19390.74       
1249.677 18428.45       745.9879 301.2621 9.880393 295.3197 6.016728 5.942352 
11.56820 
1 1 1 -11 -11 10 o 46.69338 2.749958  454.8337       52.97835 481.9184       
84.04342 436.9747       68.24506 47.82398 4.185805 45.56278 3.567649 2.261204 
5.499917 
1 1 1 -11 -11 11 o 105.6095 2.378971  2391.639       100.3063 2200.462       
166.8070 2499.925       125.5398 102.1922 3.887921 109.0268 2.742643 -6.834557 
4.757943 
1 1 1 -11 -11 12 o 88.39796 2.037153  1648.129       74.73486 1616.269       
114.1182 1672.054       98.89171 87.63223 3.101788 89.16371 2.641757 -1.531487 
4.074306 
1 1 1 -11 -11 13 o 143.4787 2.520815  4343.694       151.1076 4416.440       
204.8361 4256.839       223.8203 144.8252 3.368863 142.1321 3.750840 2.693176 
5.041631 
1 1 1 -11 -11 14 o 109.5710 2.105661  2511.120       95.44200 2441.153       
123.9705 2612.941       149.5505 107.7284 2.741001 111.4135 3.197208 -3.685150 
4.211321 
1 1 1 -11 -11 15 o 32.90051 3.692535  232.8068       49.41818 272.0327       
70.94197 195.8287       68.87936 35.88192 4.709216 29.91909 5.688810 5.962833 
7.385071 
1 1 1 -11 -11 16 o 111.6822 2.352007  2634.734       110.0161 2499.178       
158.3456 2761.236       152.9663 108.8802 3.464003 114.4843 3.182518 -5.604126 
4.704013 
1 1 1 -11 -11 17 o 57.81855 2.978956  707.1954       71.99550 708.6823       
106.9712 705.9641       97.34262 57.85296 4.404151 57.78415 4.012503 
0.6880951E-01  5.957913 
1 1 1 -11 -11 18 o 64.32569 5.875733  885.0291       158.6812 885.0291       
158.6812 0.000000       0.000000 64.32569 5.875733 ?        ?        ? ? 
1 1 1 -11 -11 19 o 95.27383 3.467641  1980.953       125.1180 1826.593       
229.0944 2046.563       149.3602 92.22974 5.916496 98.31794 3.618454 -6.088203 
6.935282 
1 1 1 -11 -11 20 o 46.85112 3.444286  467.6326       66.98526 482.6617       
103.4127 456.7684       87.92383 47.43680 5.192536 46.26543 4.526588 1.171371 
6.888573 
1 1 1 -11 -11 21 o 25.08171 5.548537  135.7226       66.36299 186.6422       
97.97476 92.55568       90.20841 28.46442 7.915761 21.69901 7.777259 6.765402 
11.09707 
1 1 1 -11 -11 22 o 104.7478 2.823310  2345.969       124.0579 2477.279       
179.1358 2224.950       171.9722 107.5738 3.966404 101.9217 4.018949 5.652061 
5.646619 
1 1 1 -11 -11 23 o 16.46966 5.168296  -24.35506      72.79287 16.51864       
95.16992 -81.97935      113.0005 17.49949 7.430481 15.43984 7.185617 2.059652 
10.33659 
1 1 1 -11 -11 24 o 38.70668 5.056890  352.1588       79.17374 360.5977       
111.9113 343.7026       112.0259 39.23153 7.050971 38.18182 7.250678 1.049709 
10.11378 
1 1 1 -11 -11 25 o 31.22089 5.720306  240.9456       75.82353 212.7148       
104.5423 272.2792       110.1377 29.23627 8.191921 33.20551 7.986240 -3.969238 
11.44061 
1 1 1 -11 -11 26 o 20.46449 5.686583  75.58583       73.58842 117.4738       
102.4861 31.00499       105.7291 22.61275 8.271215 18.31622 7.806146 4.296532 
11.37317 
1 1 1 -11 -11 27 f 30.80529 5.632930  236.1446       77.34200 370.7327       
118.4191 136.0266       102.1349 38.29664 7.635702 23.31394 8.283457 14.98270 
11.26586 
1 1 1 -11 -11 28 o 24.35513 6.142519  166.3576       79.50124 153.8959       
112.7205 178.6925       112.1452 23.62640 8.671213 25.08386 8.702426 -1.457453 
12.28504 
1 1 1 -11 -10 1  o 376.3528 5.139529  30033.89       762.6171 29252.83       
1321.727 30423.67       933.7166 372.4321 8.453094 380.2736 5.848439 -7.841492 
10.27906 
1 1 1 -11 -10 2  o 175.1843 2.373004  6433.080       174.0724 6263.504       
236.4648 6633.683       257.1903 172.6734 3.261835 177.6952 3.447467 -5.021729 
4.746008 
1 1 1 -11 -10 3  o 318.9520 5.630358  20796.45       393.2877 22239.94       
1473.121 20685.67       408.1004 324.1008 10.82628 313.8031 3.097639 10.29770 
11.26072 
1 1 1 -11 -10 4  o 498.4823 9.796893  53159.76       1826.061 52513.19       
3477.437 53405.94       2145.707 494.6453 16.74505 502.3193 10.17446 -7.673981 
19.59379 
1 1 1 -11 -10 5  f 273.9058 7.063201  15818.53       812.2350 15818.53       
812.2350 0.000000       0.000000 273.9058 7.063201 ?        ?        ? ? 
1 1 1 -11 -10 6  o 127.8818 2.977042  3386.286       132.8545 3534.260       
284.8357 3345.144       150.1926 129.5783 5.235803 126.1854 2.835048 3.392914 
5.954085 
1 1 1 -11 -10 7  o 177.6898 3.956411  6572.487       243.8270 6792.900       
525.7914 6512.102       275.2076 179.3884 6.981364 175.9913 3.724690 3.397018 
7.912822 
1 1 1 -11 -10 8  o 81.30349 2.377455  1361.191       73.52121 1456.965       
139.1361 1324.089       86.59865 83.22213 3.982190 79.38485 2.598331 3.837280 
4.754910 
1 1 1 -11 -10 9  o 133.1296 3.023824  3811.519       154.7422 3527.990       
277.1749 3939.905       186.5151 129.3739 5.103033 136.8853 3.245474 -7.511475 
6.047648 
1 1 1 -11 -10 10 o 219.9372 4.792257  10283.80       366.8302 10165.83       
777.6895 10317.56       416.0190 218.5921 8.474086 221.2823 4.478034 -2.690247 
9.584515 
1 1 1 -11 -10 11 f 170.9782 3.128701  6118.300       206.8323 6278.992       
376.5988 6048.896       247.5007 172.4325 5.202126 169.5240 3.477494 2.908569 
6.257402 
1 1 1 -11 -10 12 o 73.25171 1.976965  1125.076       60.68130 1073.560       
82.72697 1185.078       89.27979 71.44421 2.758044 75.05922 2.833154 -3.615013 
3.953931 
1 1 1 -11 -10 13 o 81.83454 1.984052  1400.777       67.92459 1251.075       
92.50221 1575.951       100.0624 77.11353 2.857213 86.55555 2.753576 -9.442017 
3.968103 
1 1 1 -11 -10 14 o 256.2678 4.119896  13904.06       435.9299 13867.34       
567.0804 13957.09       681.5904 256.0641 5.274933 256.4714 6.330027 
-0.4072876     8.239792 
1 1 1 -11 -10 15 o 167.9706 2.799765  5915.063       194.9786 5746.838       
254.7071 6153.169       303.0281 165.1523 3.673478 170.7889 4.226143 -5.636612 
5.599529 
1 1 1 -11 -10 16 o 64.26285 2.672659  863.5704       71.79617 977.7282       
106.9384 769.8853       96.87598 68.10074 3.740268 60.42495 3.818747 7.675789 
5.345319 
1 1 1 -11 -10 17 o 127.6926 6.035009  3470.594       323.5360 3470.594       
323.5360 0.000000       0.000000 127.6926 6.035009 ?        ?        ? ? 
1 1 1 -11 -10 18 f 149.7050 4.650068  4796.311       231.4871 4811.503       
522.2859 4792.596       258.2370 148.9153 8.353917 150.4948 4.087127 -1.579498 
9.300137 
1 1 1 -11 -10 19 o 61.50726 3.126631  783.1533       79.63605 638.3253       
104.1711 986.8212       123.5328 54.81852 4.526276 68.19600 4.314639 -13.37748 
6.253262 
1 1 1 -11 -10 20 o 47.41650 3.457349  480.5105       68.17326 398.5975       
94.72385 568.5330       98.19280 43.16239 5.227270 51.67062 4.526443 -8.508232 
6.914697 
1 1 1 -11 -10 21 o 37.28114 4.445728  311.3116       66.79124 259.1759       
97.50885 357.3954       91.67498 33.81223 7.095381 40.75006 5.358505 -6.937832 
8.891457 
1 1 1 -11 -10 22 o 26.62317 5.562071  158.6046       68.34869 214.6814       
99.50805 108.5186       94.04262 30.40857 7.765915 22.83778 7.964740 7.570784 
11.12414 
1 1 1 -11 -10 23 f 62.16270 3.283953  838.9258       85.24184 781.3875       
124.1867 890.1856       117.2155 60.02597 4.927843 64.29944 4.342091 -4.273472 
6.567906 
1 1 1 -11 -10 24 o 32.46098 5.189100  250.2549       69.41632 207.4241       
98.83946 291.9437       97.51299 29.43222 7.851418 35.48974 6.786918 -6.057518 
10.37820 
1 1 1 -11 -10 25 o 49.90315 3.604639  544.7701       75.05161 636.7807       
111.4824 468.5040       101.4969 53.79989 4.935669 46.00642 5.254793 7.793472 
7.209277 
1 1 1 -11 -10 26 f 58.78022 3.370957  759.9780       82.86013 803.8717       
123.9415 724.5054       111.4200 60.22289 4.902031 57.33755 4.628551 2.885345 
6.741913 
1 1 1 -11 -10 27 o 30.83373 5.058911  221.9829       75.21003 62.59424       
101.5857 415.3280       111.8847 19.43534 7.908900 42.23213 6.310281 -22.79679 
10.11782 
1 1 1 -11 -10 28 o 32.41447 5.632552  275.2938       76.07282 314.8430       
113.1834 242.7064       102.7397 34.60283 7.952932 30.22611 7.978310 4.376711 
11.26510 
1 1 1 -11 -10 29 o 51.24431 4.267718  636.9899       90.50065 763.1843       
130.2567 519.2225       125.8324 56.77998 5.464192 45.70863 6.557154 11.07135 
8.535436 
1 1 1 -11 -9  1  o 531.5469 6.446951  60102.99       1261.428 58602.65       
2457.835 60639.50       1469.763 526.3370 11.12269 536.7568 6.522151 -10.41980 
12.89390 
1 1 1 -11 -9  2  o 113.5949 2.518162  2716.470       119.4312 2655.408       
177.4143 2767.072       161.5065 112.4198 3.758953 114.7699 3.351839 -2.350105 
5.036323 
1 1 1 -11 -9  3  o 124.9405 2.183943  3323.797       99.14909 3189.367       
196.3744 3369.791       114.8651 123.2010 3.796571 126.6800 2.159738 -3.478928 
4.367885 
1 1 1 -11 -9  4  o 297.0486 3.363599  18432.02       344.7387 18767.00       
746.3181 18341.16       388.6912 298.6140 5.952986 295.4833 3.133234 3.130707 
6.727198 
1 1 1 -11 -9  5  o 296.7056 4.830538  18781.04       548.3111 17980.04       
999.2729 19126.10       655.8646 291.8873 8.154361 301.5238 5.181001 -9.636444 
9.661076 
1 1 1 -11 -9  6  o 179.0117 3.619230  6734.728       272.0047 0.000000       
0.000000 6734.728       272.0047 ?        ?        179.0117 3.619230 ? ? 
1 1 1 -11 -9  7  o 217.0789 3.906485  9921.859       317.6349 9924.441       
606.3804 9920.884       372.8860 216.9466 6.657533 217.2112 4.088980 
-0.2645264     7.812970 
1 1 1 -11 -9  8  o 219.1387 4.467550  10131.93       335.7304 10120.59       
728.9543 10134.98       378.2340 218.7655 7.936747 219.5119 4.104153 
-0.7463837     8.935101 
1 1 1 -11 -9  9  o 237.5308 4.074198  11980.76       392.6334 11568.73       
638.0878 12231.82       498.0944 234.0746 6.493027 240.9870 4.923106 -6.912369 
8.148396 
1 1 1 -11 -9  10 o 143.3448 3.510373  4396.175       197.7005 4141.525       
341.8468 4524.151       242.3387 140.0709 5.813060 146.6186 3.936902 -6.547775 
7.020745 
1 1 1 -11 -9  11 o 126.1645 2.388555  3359.914       126.0285 3190.418       
183.5517 3511.089       173.3481 123.1295 3.550728 129.1996 3.195796 -6.070114 
4.777110 
1 1 1 -11 -9  12 o 261.3705 3.875326  14370.39       404.5708 14214.89       
499.1168 14668.29       690.8218 259.5922 4.579643 263.1489 6.252959 -3.556671 
7.750653 
1 1 1 -11 -9  13 o 149.9531 2.252732  4778.746       132.7274 4866.566       
162.2096 4600.826       230.8834 152.1310 2.539686 147.7752 3.721452 4.355804 
4.505465 
1 1 1 -11 -9  14 o 115.3181 2.371142  2785.640       112.6802 2874.860       
178.4785 2726.509       145.2987 116.8139 3.639256 113.8223 3.040571 2.991516 
4.742284 
1 1 1 -11 -9  15 o 191.8372 4.105892  7761.723       318.1380 7919.228       
529.8352 7672.920       397.8393 193.1223 6.534756 190.5520 4.972962 2.570297 
8.211783 
1 1 1 -11 -9  16 o 34.29331 6.246865  257.2464       86.61024 257.2464       
86.61024 0.000000       0.000000 34.29331 6.246865 ?        ?        ? ? 
1 1 1 -11 -9  17 o 63.66011 3.249139  806.5623       81.48373 1002.391       
148.7222 722.5614       97.40462 68.80225 5.148659 58.51798 3.964709 10.28427 
6.498277 
1 1 1 -11 -9  18 o 121.9917 3.090877  3147.712       158.1319 3123.913       
218.2366 3174.019       229.4489 121.5269 4.277365 122.4565 4.462985 
-0.9295807     6.181754 
1 1 1 -11 -9  19 o 43.49963 3.793656  404.0360       69.10145 387.5399       
100.0648 419.0742       95.54057 42.62125 5.592115 44.37801 5.127918 -1.756756 
7.587311 
1 1 1 -11 -9  20 f 181.2122 3.966454  7033.462       300.4054 7081.425       
406.9346 6976.021       445.3320 182.0649 5.323772 180.3596 5.881198 1.705338 
7.932909 
1 1 1 -11 -9  21 o 85.60904 2.941552  1558.108       105.6162 1657.467       
151.1087 1463.209       147.6782 88.29844 4.076218 82.91964 4.242093 5.378799 
5.883103 
1 1 1 -11 -9  22 o 100.6717 3.151946  2166.037       132.3173 2187.882       
199.4106 2148.853       176.8618 101.0179 4.701872 100.3255 4.198982 0.6924591 
6.303892 
1 1 1 -11 -9  23 o 79.93954 2.833477  1354.754       94.56384 1489.119       
143.3043 1251.119       125.8553 83.38454 4.093499 76.49454 3.918881 6.889999 
5.666954 
1 1 1 -11 -9  24 o 31.92235 5.185680  242.8407       68.64107 186.9307       
99.93027 292.7843       94.44783 28.08312 8.054843 35.76158 6.533348 -7.678459 
10.37136 
1 1 1 -11 -9  25 o 40.42694 4.378590  373.5672       71.69590 342.2956       
106.6145 399.3842       96.87103 38.33858 6.872738 42.51530 5.427124 -4.176716 
8.757180 
1 1 1 -11 -9  26 o 64.27371 3.251021  902.7601       86.59003 926.7802       
134.2469 885.6475       113.3114 64.79337 4.935088 63.75404 4.233375 1.039330 
6.502043 
1 1 1 -11 -9  27 o 47.97585 3.966321  523.0145       78.81641 426.2548       
110.2602 624.1153       112.7065 43.10454 6.092801 52.84715 5.079820 -9.742611 
7.932642 
1 1 1 -11 -9  28 o 20.13653 5.526014  66.69878       74.19242 -28.70734      
109.2322 148.4089       101.0882 16.09947 7.328266 24.17359 8.273079 -8.074121 
11.05203 
1 1 1 -11 -9  29 o 29.38655 5.824608  242.1465       78.43698 165.0661       
112.5194 315.0120       109.3997 24.36128 8.690474 34.41183 7.757571 -10.05055 
11.64922 
1 1 1 -11 -8  1  o 115.7302 2.124038  2797.850       102.7379 2663.030       
137.6877 2967.202       154.3167 112.6036 2.912486 118.8567 3.092502 -6.253098 
4.248075 
1 1 1 -11 -8  2  o 194.9866 3.456257  8015.181       280.7362 7803.921       
421.2030 8184.046       376.5765 192.6488 5.207703 197.3245 4.545622 -4.675659 
6.912514 
1 1 1 -11 -8  3  o 413.8296 3.297756  36078.18       524.3824 35805.20       
957.7153 36195.05       626.6649 412.5916 5.528879 415.0676 3.596148 -2.476013 
6.595512 
1 1 1 -11 -8  4  o 395.3244 5.468918  33176.20       766.4911 32498.07       
1581.082 33384.53       876.3592 392.2290 9.601427 398.4198 5.239168 -6.190796 
10.93784 
1 1 1 -11 -8  5  o 88.13802 2.046521  1511.120       66.99641 1894.213       
136.2023 1388.844       76.94919 94.95167 3.416669 81.32436 2.253743 13.62730 
4.093041 
1 1 1 -11 -8  6  f 66.13126 2.419980  890.6083       60.41278 983.5627       
116.5995 856.4976       70.63288 68.40447 4.060069 63.85804 2.634586 4.546429 
4.839959 
1 1 1 -11 -8  7  o 424.6438 8.017344  38535.52       1247.871 37801.66       
2448.135 38793.11       1450.442 420.6743 13.86150 428.6132 8.060389 -7.938873 
16.03469 
1 1 1 -11 -8  8  o 165.9100 4.522107  5790.643       314.9868 5790.643       
314.9868 0.000000       0.000000 165.9100 4.522107 ?        ?        ? ? 
1 1 1 -11 -8  9  o 197.4275 3.615527  8103.885       254.4470 8406.930       
528.3608 8012.383       290.3309 199.6358 6.303956 195.2192 3.542354 4.416656 
7.231053 
1 1 1 -11 -8  10 o 118.2354 2.358640  2902.651       115.0215 2755.221       
147.7517 3129.437       183.2511 114.4866 3.073964 121.9842 3.578196 -7.497566 
4.717281 
1 1 1 -11 -8  11 o 171.1126 2.539309  6165.831       182.1201 6049.795       
263.8300 6271.449       251.7106 169.5608 3.706121 172.6644 3.472322 -3.103516 
5.078617 
1 1 1 -11 -8  12 o 33.12832 3.244804  231.2039       45.10479 242.3145       
64.73241 220.7190       62.88340 33.90256 4.547894 32.35407 4.629436 1.548489 
6.489609 
1 1 1 -11 -8  13 o 204.0655 2.710620  8727.936       227.7463 8549.422       
293.1920 8999.523       361.6346 201.5149 3.465501 206.6162 4.168950 -5.101288 
5.421240 
1 1 1 -11 -8  14 o 76.45522 2.437721  1236.974       77.86432 1139.013       
112.6665 1326.542       107.7327 73.52859 3.649719 79.38184 3.232566 -5.853241 
4.875443 
1 1 1 -11 -8  15 o 129.8896 3.277041  3553.885       177.9122 3477.587       
239.4392 3647.936       265.8381 128.3672 4.442854 131.4120 4.818405 -3.044754 
6.554081 
1 1 1 -11 -8  16 o 165.1560 8.911199  5849.458       617.8876 0.000000       
0.000000 5849.458       617.8876 ?        ?        165.1560 8.911199 ? ? 
1 1 1 -11 -8  17 o 108.7546 3.127343  2491.997       142.1628 2443.956       
191.4364 2551.064       212.2713 107.6142 4.237172 109.8950 4.600813 -2.280792 
6.254686 
1 1 1 -11 -8  18 o 24.13503 5.368307  109.0333       65.88104 196.7252       
96.96001 33.82777       89.79205 29.73748 7.705329 18.53259 7.476815 11.20489 
10.73661 
1 1 1 -11 -8  19 o 130.4304 3.416223  3619.744       185.8209 3706.502       
250.5828 3513.749       276.9758 132.2601 4.512772 128.6006 5.130031 3.659592 
6.832447 
1 1 1 -11 -8  20 o 61.58405 3.142879  805.2001       81.23370 785.2780       
115.2064 824.8992       114.5599 60.81592 4.512117 62.35219 4.376249 -1.536270 
6.285758 
1 1 1 -11 -8  21 o 20.76079 5.534264  71.74232       65.98783 56.76130       
97.29924 84.50126       89.79374 20.15424 7.903206 21.36733 7.749300 -1.213089 
11.06853 
1 1 1 -11 -8  22 o 44.44474 3.863369  431.2265       70.93765 377.3653       
105.6056 475.5109       95.75777 41.76112 6.023321 47.12835 4.839637 -5.367233 
7.726738 
1 1 1 -11 -8  23 o 108.8948 2.868206  2533.242       131.0371 2535.913       
182.0318 2530.369       188.7814 108.9904 3.978139 108.7992 4.132895 0.1911774 
5.736411 
1 1 1 -11 -8  24 o 52.18015 3.651043  600.6043       78.66875 512.4245       
115.8284 676.1116       107.1827 48.37468 5.703195 55.98561 4.560049 -7.610924 
7.302087 
1 1 1 -11 -8  25 o 86.40102 3.120764  1634.063       111.1460 1507.398       
170.0962 1728.443       146.8269 83.15826 4.872036 89.64377 3.901276 -6.485512 
6.241529 
1 1 1 -11 -8  26 o 28.65869 5.437248  201.4538       73.72752 87.16195       
107.8880 301.5912       100.9867 21.53130 8.346840 35.78609 6.970290 -14.25480 
10.87450 
1 1 1 -11 -8  27 o 35.84726 5.201811  309.7264       75.62746 341.9775       
110.5940 281.3982       103.6501 37.71286 7.243378 33.98166 7.467854 3.731197 
10.40362 
1 1 1 -11 -8  28 o 27.56904 5.567316  194.8646       76.94119 69.53605       
114.5722 297.8137       103.8402 20.40319 8.366899 34.73490 7.346769 -14.33171 
11.13463 
1 1 1 -11 -8  29 o 30.25883 5.603560  236.2433       80.72490 392.1220       
118.1850 99.91772       110.5242 39.31664 7.430783 21.20101 8.389458 18.11563 
11.20712 
1 1 1 -11 -8  30 o 52.96567 4.142101  675.1068       91.70699 671.8190       
135.4885 677.8865       124.5832 52.50580 6.146334 53.42554 5.554331 
-0.9197426     8.284203 
1 1 1 -11 -7  1  o 288.8883 5.042380  17557.78       602.1402 17648.16       
938.5309 17494.54       784.9993 289.4454 7.723302 288.3313 6.484829 1.114105 
10.08476 
1 1 1 -11 -7  2  o 21.28456 4.948638  91.60516       51.73612 110.4150       
67.32922 64.48727       80.84227 22.71304 6.643385 19.85608 7.336314 2.856956 
9.897276 
1 1 1 -11 -7  3  o 143.6690 2.445867  4394.237       129.5825 4214.140       
250.9113 4459.745       151.3250 141.6085 4.220384 145.7296 2.473341 -4.121140 
4.891733 
1 1 1 -11 -7  4  o 205.5425 2.893077  8997.156       223.8280 8608.203       
419.2476 9152.214       264.7097 202.3430 4.935186 208.7420 3.020516 -6.399017 
5.786154 
1 1 1 -11 -7  5  o 278.3010 2.731116  16320.56       303.7820 16126.42       
514.1432 16424.68       376.5360 276.9814 4.421347 279.6207 3.207438 -2.639313 
5.462231 
1 1 1 -11 -7  6  o 184.7717 2.668332  7195.473       178.9731 7132.461       
357.9425 7216.477       206.6610 184.1807 4.629033 185.3628 2.655566 -1.182083 
5.336663 
1 1 1 -11 -7  7  o 69.73394 2.167822  1039.049       61.85262 934.3313       
96.23949 1112.743       80.73466 66.68227 3.437669 72.78561 2.642017 -6.103333 
4.335645 
1 1 1 -11 -7  8  o 262.9124 4.335682  14654.00       475.3587 13484.02       
695.2285 15681.18       651.4249 252.9293 6.547107 272.8954 5.685768 -19.96613 
8.671365 
1 1 1 -11 -7  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -7  10 f 114.1107 2.330357  2720.722       108.1362 2672.281       
136.2852 2803.052       177.6721 112.7670 2.878643 115.4545 3.665469 -2.687500 
4.660714 
1 1 1 -11 -7  11 o 90.17903 2.173555  1711.484       82.13662 1587.405       
115.9764 1836.347       116.3419 86.89161 3.179163 93.46645 2.964842 -6.574844 
4.347110 
1 1 1 -11 -7  12 o 50.61345 2.485497  534.8411       52.56230 613.6894       
77.96245 469.1341       71.16972 54.00956 3.438238 47.21734 3.590168 6.792213 
4.970994 
1 1 1 -11 -7  13 o 147.5819 3.129086  4408.922       178.3370 4148.842       
211.0399 5058.502       333.5246 140.3843 3.580693 154.7795 5.132576 -14.39525 
6.258171 
1 1 1 -11 -7  14 o 128.2898 3.596987  3521.510       188.0483 3676.120       
241.7903 3284.832       299.1568 132.0106 4.362658 124.5691 5.720181 7.441521 
7.193973 
1 1 1 -11 -7  15 o 165.2207 6.326736  5793.445       438.8571 0.000000       
0.000000 5793.445       438.8571 ?        ?        165.2207 6.326736 ? ? 
1 1 1 -11 -7  16 o 262.8049 5.647130  14815.35       614.3586 15189.36       
810.5126 14310.27       941.8794 267.1232 7.227185 258.4865 8.679176 8.636749 
11.29426 
1 1 1 -11 -7  17 o 82.68556 2.692595  1439.334       93.31547 1413.820       
127.8424 1468.430       136.5206 81.90997 3.717571 83.46116 3.896142 -1.551186 
5.385190 
1 1 1 -11 -7  18 o 156.8366 3.851037  5207.564       251.8489 5254.499       
379.6275 5170.670       336.5815 157.3840 5.745372 156.2892 5.129584 1.094742 
7.702073 
1 1 1 -11 -7  19 o 95.15135 2.754736  1914.495       109.9145 1986.589       
153.8358 1839.309       157.1006 97.00090 3.777486 93.30181 4.010596 3.699089 
5.509472 
1 1 1 -11 -7  20 o 69.29264 2.887169  1015.196       83.90592 1043.388       
122.0248 989.9124       115.5606 70.19572 4.140556 68.38956 4.024771 1.806168 
5.774339 
1 1 1 -11 -7  21 o 110.1517 2.992265  2571.053       138.0997 2635.011       
202.8165 2515.769       188.5661 111.3968 4.336623 108.9066 4.124114 2.490234 
5.984531 
1 1 1 -11 -7  22 o 26.94689 5.570812  154.9108       69.10570 227.4805       
104.1845 97.89902       92.34379 31.58429 7.875181 22.30950 7.881454 9.274794 
11.14162 
1 1 1 -11 -7  23 o 72.09914 3.185497  1112.414       95.74848 1110.862       
144.0537 1113.641       128.1541 71.97233 4.767382 72.22595 4.226301 
-0.2536240     6.370993 
1 1 1 -11 -7  24 o 46.78261 3.847102  473.6391       75.36716 504.2181       
111.5832 447.9848       102.2039 48.14152 5.520772 45.42369 5.359277 2.717831 
7.694204 
1 1 1 -11 -7  25 o 58.46935 3.481780  749.7150       84.22935 697.3676       
127.6310 790.1042       112.1093 56.44784 5.385548 60.49086 4.414413 -4.043015 
6.963560 
1 1 1 -11 -7  26 o 28.63545 5.720562  186.6746       75.78691 295.8287       
114.7583 102.2470       100.9267 35.03569 7.977927 22.23521 8.200732 12.80048 
11.44112 
1 1 1 -11 -7  27 o 33.46898 5.596975  276.4232       77.41711 254.9573       
114.1922 294.6812       105.3145 31.95683 8.400261 34.98112 7.398658 -3.024296 
11.19395 
1 1 1 -11 -7  28 o 18.59709 5.620891  23.84991       79.52826 -20.94553      
113.3056 67.34776       111.6525 16.88102 7.600626 20.31315 8.283004 -3.432131 
11.24178 
1 1 1 -11 -7  29 o 17.62754 5.369012  7.749397       76.88567 79.58651       
104.3573 -77.53975      113.7091 20.25534 8.106468 14.99973 7.042041 5.255613 
10.73802 
1 1 1 -11 -7  30 o 17.06729 5.484687  -6.631490      85.60261 -8.550429      
117.5003 -4.460993      124.9649 16.80101 7.635005 17.33356 7.876157 
-0.5325489     10.96937 
1 1 1 -11 -6  1  o 237.2740 3.833042  11830.09       380.7058 11736.12       
517.8936 11940.57       561.5510 236.2640 5.221124 238.2840 5.613262 -2.020020 
7.666084 
1 1 1 -11 -6  2  o 141.7180 2.973010  4217.735       176.7458 3984.661       
246.8705 4462.837       253.1607 137.7014 4.270236 145.7345 4.137661 -8.033127 
5.946020 
1 1 1 -11 -6  3  o 181.0574 2.077747  6886.266       155.9947 6877.444       
240.1083 6892.709       205.2012 180.9496 3.160609 181.1652 2.697902 
-0.2156067     4.155493 
1 1 1 -11 -6  4  o 222.1770 3.589563  10290.60       285.3358 10547.96       
587.8058 10211.26       326.3673 223.8859 6.253574 220.4680 3.525998 3.417816 
7.179126 
1 1 1 -11 -6  5  o 176.4832 2.416978  6530.256       148.3119 6566.348       
316.7539 6520.121       167.8478 176.7567 4.268420 176.2095 2.268858 0.5471954 
4.833955 
1 1 1 -11 -6  6  o 310.3875 3.015248  20277.36       392.3727 19294.59       
559.6102 21227.71       550.3044 302.9668 4.399585 317.8081 4.124384 -14.84131 
6.030497 
1 1 1 -11 -6  7  o 213.7386 3.174884  9806.951       260.7007 9096.787       
467.8102 10126.85       313.9741 207.9365 5.358708 219.5406 3.406434 -11.60419 
6.349768 
1 1 1 -11 -6  8  o 173.5307 2.116708  6306.289       148.9700 6402.918       
245.5548 6250.013       187.3941 174.5620 3.350579 172.4995 2.587552 2.062500 
4.233415 
1 1 1 -11 -6  9  o 136.4867 1.964973  3894.008       104.3717 3965.449       
187.5535 3861.959       125.6197 137.3694 3.252043 135.6040 2.206512 1.765366 
3.929947 
1 1 1 -11 -6  10 o 41.72451 2.997552  366.0376       52.35413 329.0017       
72.91851 405.4427       75.21473 39.54402 4.392159 43.90500 4.080468 -4.360981 
5.995104 
1 1 1 -11 -6  11 o 121.8303 2.964845  3119.580       151.6478 3119.580       
151.6478 0.000000       0.000000 121.8303 2.964845 ?        ?        ? ? 
1 1 1 -11 -6  12 o 95.06696 2.575344  1900.450       102.6630 1881.944       
141.4244 1921.066       149.2676 94.58264 3.561509 95.55126 3.720920 
-0.9686203     5.150688 
1 1 1 -11 -6  13 o 207.9230 4.560444  9151.620       398.0493 9343.415       
564.6536 8962.152       561.2155 210.1014 6.401388 205.7446 6.497141 4.356873 
9.120889 
1 1 1 -11 -6  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -6  15 o 149.6914 3.734400  4716.549       233.0459 4922.972       
354.1121 4558.837       309.5233 152.5129 5.530383 146.8699 5.019743 5.642990 
7.468799 
1 1 1 -11 -6  16 f 59.53306 3.068395  747.7643       76.55148 688.8026       
107.1622 809.2062       109.3926 57.12755 4.468039 61.93857 4.206760 -4.811020 
6.136790 
1 1 1 -11 -6  17 o 95.51765 2.985128  1922.327       119.4585 1956.364       
175.3409 1892.844       163.1921 96.29308 4.337199 94.74224 4.102764 1.550835 
5.970257 
1 1 1 -11 -6  18 o 138.2399 3.193342  4042.065       185.0046 3798.603       
263.2246 4279.736       260.0760 134.0900 4.675749 142.3899 4.350530 -8.299896 
6.386684 
1 1 1 -11 -6  19 o 82.54247 2.950446  1438.948       102.0716 1328.756       
142.8144 1554.012       145.9382 79.29801 4.289738 85.78692 4.051997 -6.488907 
5.900892 
1 1 1 -11 -6  20 o 233.8409 5.160444  11769.64       506.0477 12084.12       
705.6068 11436.58       726.1545 237.2204 7.084867 230.4613 7.505023 6.759079 
10.32089 
1 1 1 -11 -6  21 o 82.89349 2.791964  1448.718       96.73987 1519.565       
145.0005 1391.886       129.8685 84.68803 4.078199 81.09897 3.814254 3.589058 
5.583928 
1 1 1 -11 -6  22 o 22.02703 5.698504  88.62949       68.33255 86.35097       
105.0215 90.30228       89.98520 22.30184 8.337342 21.75223 7.770490 0.5496101 
11.39701 
1 1 1 -11 -6  23 o 20.97435 5.613864  73.17530       68.56970 48.61211       
100.3437 94.69386       93.91920 19.82901 7.943550 22.11970 7.934854 -2.290689 
11.22773 
1 1 1 -11 -6  24 o 46.35451 4.421107  503.0663       78.11706 341.6365       
118.2096 628.2170       104.0824 38.61032 7.562047 54.09869 4.582596 -15.48837 
8.842214 
1 1 1 -11 -6  25 o 20.14161 5.632578  49.14842       72.05929 107.3185       
108.7901 3.677747       96.18458 23.17358 8.517365 17.10964 7.372802 6.063938 
11.26516 
1 1 1 -11 -6  26 o 57.07738 3.585311  725.9292       84.05671 615.0469       
125.6325 815.7941       113.1009 52.76793 5.670916 61.38685 4.388455 -8.618923 
7.170622 
1 1 1 -11 -6  27 o 27.02797 5.335841  156.7174       73.72922 308.9252       
108.3895 25.63935       100.5851 35.96262 7.431757 18.09332 7.658575 17.86929 
10.67168 
1 1 1 -11 -6  28 o 18.08556 5.267848  27.85307       70.50976 -79.35318      
115.4392 91.64910       89.05127 15.37073 7.194383 20.80038 7.696865 -5.429648 
10.53570 
1 1 1 -11 -6  29 o 51.92292 4.437175  625.0926       96.60492 590.3928       
132.8682 664.0083       140.7086 50.39409 6.280043 53.45176 6.270178 -3.057667 
8.874350 
1 1 1 -11 -6  30 o 29.48898 6.504889  245.0551       89.95587 206.5670       
124.0271 287.7739       130.6660 27.12157 9.163790 31.85640 9.234679 -4.734827 
13.00978 
1 1 1 -11 -6  31 o 58.54898 4.322583  832.2610       106.0577 797.1769       
144.7503 872.9261       155.8392 57.35335 6.011483 59.74461 6.212967 -2.391258 
8.645165 
1 1 1 -11 -5  1  o 494.3002 5.433080  51253.25       1010.820 50992.67       
1188.762 51933.50       1920.699 492.4044 5.750348 496.1961 9.219919 -3.791656 
10.86616 
1 1 1 -11 -5  2  o 60.74657 2.622021  773.2721       66.75233 807.2628       
98.01768 743.8718       91.15912 61.98761 3.766349 59.50554 3.648916 2.482075 
5.244041 
1 1 1 -11 -5  3  o 247.2315 2.560682  12819.26       241.2395 12892.38       
448.4635 12789.48       286.1701 247.6865 4.312666 246.7764 2.762115 0.9101257 
5.121364 
1 1 1 -11 -5  4  o 177.4733 2.315393  6634.586       158.7169 6568.774       
287.0973 6663.554       190.4698 176.8146 3.867516 178.1320 2.546861 -1.317383 
4.630786 
1 1 1 -11 -5  5  o 74.50041 2.283399  1224.307       66.91890 977.0407       
109.5843 1371.347       84.50509 68.19121 3.827729 80.80962 2.490812 -12.61841 
4.566798 
1 1 1 -11 -5  6  o 160.4395 2.481980  5477.812       163.5451 5037.958       
253.5835 5791.059       213.9979 154.8381 3.900895 166.0409 3.069839 -11.20282 
4.963959 
1 1 1 -11 -5  7  o 270.4942 4.108488  15621.10       411.7833 14919.33       
790.3097 15882.61       482.4462 266.1006 7.074121 274.8877 4.180369 -8.787109 
8.216975 
1 1 1 -11 -5  8  o 159.4892 2.563531  5490.554       162.1001 4880.442       
270.7639 5831.385       202.3746 152.3644 4.232805 166.6139 2.893116 -14.24942 
5.127062 
1 1 1 -11 -5  9  o 96.64400 1.848718  1962.060       74.98267 2032.070       
106.3926 1892.968       105.6939 98.35796 2.576457 94.93005 2.651961 3.427902 
3.697435 
1 1 1 -11 -5  10 o 160.6013 2.072504  5443.462       138.8207 5179.417       
205.5672 5664.827       188.2219 156.9952 3.118808 164.2074 2.730224 -7.212250 
4.145007 
1 1 1 -11 -5  11 o 62.60110 2.667696  820.7731       69.91972 868.5831       
103.6799 780.8922       94.69292 64.26415 3.842791 60.93804 3.701264 3.326115 
5.335392 
1 1 1 -11 -5  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -5  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -5  14 o 93.93554 2.752719  1846.772       107.7173 1949.328       
164.5864 1769.930       142.4670 96.18719 4.075657 91.68388 3.701198 4.503311 
5.505438 
1 1 1 -11 -5  15 o 63.87055 2.911707  859.7701       78.01593 813.2858       
109.2245 908.1873       111.4722 62.10384 4.189120 65.63727 4.045172 -3.533428 
5.823414 
1 1 1 -11 -5  16 o 192.1375 4.668574  7841.427       376.3066 7815.806       
521.6945 7869.217       543.3198 191.8532 6.476916 192.4217 6.725467 
-0.5685272     9.337149 
1 1 1 -11 -5  17 o 114.5107 2.861978  2767.505       137.4364 2634.252       
195.2630 2898.333       193.4782 111.7619 4.161476 117.2595 3.930112 -5.497658 
5.723955 
1 1 1 -11 -5  18 o 117.2634 3.339377  2895.460       163.8880 2796.962       
221.6969 3014.148       243.3602 115.0917 4.588140 119.4350 4.853320 -4.343361 
6.678753 
1 1 1 -11 -5  19 o 62.93004 3.153828  838.7580       83.03308 806.8164       
121.2034 867.0067       113.9820 61.77859 4.673023 64.08148 4.236672 -2.302891 
6.307657 
1 1 1 -11 -5  20 o 53.11334 3.476608  599.0598       77.33459 551.9103       
109.4773 646.0206       109.2583 51.00261 5.112729 55.22407 4.712452 -4.221462 
6.953215 
1 1 1 -11 -5  21 o 78.04792 2.933974  1293.714       95.85823 1210.553       
137.6568 1372.002       133.5638 75.57396 4.338571 80.52188 3.950899 -4.947922 
5.867947 
1 1 1 -11 -5  22 o 25.79261 5.866337  142.9312       71.93056 152.3589       
104.9174 134.5694       98.80769 26.47205 8.411652 25.11316 8.179227 1.358892 
11.73267 
1 1 1 -11 -5  23 o 87.08562 2.997925  1610.990       109.4598 1666.351       
159.9131 1562.184       150.1472 88.47252 4.305234 85.69873 4.173148 2.773788 
5.995849 
1 1 1 -11 -5  24 o 60.99529 3.301424  784.4377       83.57693 883.2453       
130.7465 716.1674       108.6803 64.13869 4.855469 57.85190 4.474598 6.286785 
6.602849 
1 1 1 -11 -5  25 o 27.13964 5.662180  153.3926       71.55688 258.9418       
113.4187 83.59740       92.22949 33.17708 8.183019 21.10220 7.828114 12.07488 
11.32436 
1 1 1 -11 -5  26 o 24.06346 5.692287  105.9278       69.29971 213.0534       
115.0354 44.90481       86.82230 29.78135 8.674973 18.34558 7.372473 11.43577 
11.38457 
1 1 1 -11 -5  27 o 23.48450 5.909450  117.4164       73.42153 155.1337       
111.2517 88.31287       97.72578 25.70813 8.679008 21.26087 8.022542 4.447260 
11.81890 
1 1 1 -11 -5  28 f 77.65965 3.172503  1316.526       102.5357 1351.992       
156.3816 1289.781       135.8014 78.37824 4.752380 76.94106 4.204042 1.437187 
6.345006 
1 1 1 -11 -5  29 o 17.56660 5.318552  -3.827021      76.46968 -112.0162      
114.0187 84.62255       103.0936 14.35843 6.850532 20.77476 8.137457 -6.416332 
10.63710 
1 1 1 -11 -5  30 o 75.43209 3.256426  1292.965       100.7571 1142.078       
153.5173 1407.146       133.5453 70.91524 5.156307 79.94894 3.978660 -9.033707 
6.512852 
1 1 1 -11 -5  31 o 17.96437 5.653155  14.06451       87.03447 66.39194       
126.0773 -33.57462      120.2968 19.75026 8.474083 16.17849 7.484822 3.571774 
11.30631 
1 1 1 -11 -4  1  o 197.1740 3.196718  8206.709       263.0165 8564.430       
357.7195 7785.751       388.0522 201.8864 4.220430 192.4615 4.802500 9.424866 
6.393437 
1 1 1 -11 -4  2  o 214.2918 4.126431  9658.271       371.2306 9546.803       
523.9365 9770.646       526.0687 213.0486 5.857618 215.5349 5.813610 -2.486343 
8.252863 
1 1 1 -11 -4  3  o 361.9666 3.284897  27766.35       486.8641 26461.42       
769.8920 28635.95       628.4887 354.7666 5.169019 369.1666 4.055049 -14.39996 
6.569793 
1 1 1 -11 -4  4  f 282.6098 4.361602  16885.39       480.1493 16585.57       
853.4144 17024.26       580.7921 280.6426 7.243148 284.5770 4.861182 -3.934387 
8.723204 
1 1 1 -11 -4  5  o 175.0066 2.667117  6382.783       157.8716 6523.232       
351.5415 6347.302       176.6910 176.1569 4.753330 173.8563 2.420723 2.300629 
5.334233 
1 1 1 -11 -4  6  o 239.3384 2.287864  11998.16       216.7713 12137.37       
376.4057 11929.08       265.1566 240.3469 3.730256 238.3298 2.649995 2.017075 
4.575728 
1 1 1 -11 -4  7  o 126.4879 2.027772  3433.710       100.4691 3151.699       
173.5371 3575.892       123.2200 122.4820 3.374745 130.4938 2.249119 -8.011742 
4.055545 
1 1 1 -11 -4  8  f 134.4028 2.093755  3718.653       116.4229 3378.586       
149.9509 4234.762       184.7302 126.8258 2.816192 141.9797 3.099080 -15.15385 
4.187509 
1 1 1 -11 -4  9  o 305.1288 2.175298  19074.37       263.9073 18122.68       
321.1512 21053.49       463.1234 293.7355 2.604200 316.5222 3.485086 -22.78677 
4.350595 
1 1 1 -11 -4  10 o 143.9250 2.268335  4306.198       119.3468 4447.920       
238.5959 4258.905       137.8287 145.4510 3.907214 142.3990 2.305439 3.051987 
4.536670 
1 1 1 -11 -4  11 o 58.69054 2.226585  729.1289       54.14362 688.7335       
82.26367 760.0015       71.91649 57.23978 3.423192 60.14130 2.848241 -2.901520 
4.453170 
1 1 1 -11 -4  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -4  13 o 76.96145 3.666959  1246.233       118.4836 0.000000       
0.000000 1246.233       118.4836 ?        ?        76.96145 3.666959 ? ? 
1 1 1 -11 -4  14 o 147.5526 4.216254  4655.636       257.6628 5013.075       
346.1381 4211.424       385.8721 154.0806 5.350846 141.0245 6.517334 13.05617 
8.432508 
1 1 1 -11 -4  15 f 86.12619 2.881467  1562.118       104.1472 1512.744       
144.8773 1614.919       149.8197 84.71918 4.073238 87.53320 4.076780 -2.814018 
5.762933 
1 1 1 -11 -4  16 f 88.87207 2.839858  1664.508       105.9343 1699.444       
151.8517 1631.387       147.8558 89.77888 4.028715 87.96526 4.003578 1.813629 
5.679717 
1 1 1 -11 -4  17 o 110.5831 2.847751  2578.143       132.1289 2457.279       
185.6528 2702.199       188.0879 107.9485 4.096432 113.2176 3.957017 -5.269081 
5.695501 
1 1 1 -11 -4  18 o 37.03893 4.713467  300.5150       70.65995 268.8515       
106.1806 325.6827       94.66452 34.86523 7.470098 39.21262 5.750194 -4.347385 
9.426934 
1 1 1 -11 -4  19 o 35.60331 4.665896  277.2675       67.64351 331.2563       
95.28484 222.4145       96.04443 39.53001 5.741402 31.67662 7.356538 7.853388 
9.331793 
1 1 1 -11 -4  20 o 273.6685 6.453881  16245.95       728.4376 16000.07       
1135.909 16417.70       949.3450 271.1004 9.980086 276.2365 8.185855 -5.136078 
12.90776 
1 1 1 -11 -4  21 o 113.7601 2.817305  2740.195       134.2372 2685.146       
195.5593 2789.245       184.5948 112.6458 4.135086 114.8744 3.827518 -2.228630 
5.634609 
1 1 1 -11 -4  22 o 70.58452 3.028091  1055.358       89.65420 996.5193       
124.4115 1118.922       129.3107 68.53358 4.323925 72.63546 4.240401 -4.101875 
6.056181 
1 1 1 -11 -4  23 o 25.88094 5.459718  130.9237       70.99571 244.4970       
105.0239 35.34956       96.34303 32.82207 7.738541 18.93981 7.703835 13.88227 
10.91944 
1 1 1 -11 -4  24 o 36.45776 5.130899  311.1663       75.32082 224.0100       
115.0769 376.4888       99.62549 31.15444 8.544976 41.76107 5.682244 -10.60663 
10.26180 
1 1 1 -11 -4  25 o 94.28401 2.890723  1888.420       111.6688 1957.111       
179.9315 1845.388       142.4143 95.49283 4.488048 93.07520 3.644523 2.417625 
5.781446 
1 1 1 -11 -4  26 o 37.87338 5.073601  350.5630       74.47080 249.1654       
121.0606 412.2924       94.45722 32.22169 8.731889 43.52507 5.169122 -11.30338 
10.14720 
1 1 1 -11 -4  27 o 43.01068 4.022285  405.6628       71.79153 433.2454       
111.6036 386.1922       93.76701 44.11178 6.026217 41.90957 5.329149 2.202209 
8.044571 
1 1 1 -11 -4  28 o 55.51945 3.690811  658.1116       84.43317 858.0167       
133.9900 526.4535       108.7388 62.31849 5.121256 48.72042 5.316115 13.59806 
7.381622 
1 1 1 -11 -4  29 o 26.71781 6.040540  179.0829       77.07373 155.6545       
110.4943 201.2844       107.5623 25.21894 8.648813 28.21668 8.435078 -2.997744 
12.08108 
1 1 1 -11 -4  30 f 35.45364 5.729044  324.3630       82.60260 301.8498       
129.1510 339.9474       107.4542 33.64373 8.974973 37.26354 7.123037 -3.619816 
11.45809 
1 1 1 -11 -4  31 o 18.87498 5.669649  51.64645       79.48777 0.7355818      
128.4279 83.25893       101.2007 17.84332 8.059716 19.90665 7.976256 -2.063330 
11.33930 
1 1 1 -11 -3  1  o 74.46103 2.508868  1164.677       78.42677 1148.762       
110.6473 1180.746       111.1790 73.94960 3.563904 74.97245 3.532175 -1.022850 
5.017736 
1 1 1 -11 -3  2  o 34.57053 3.860183  251.1888       56.01337 245.7137       
78.20980 256.9546       80.25971 34.18404 5.449528 34.95701 5.468703 
-0.7729721     7.720367 
1 1 1 -11 -3  3  o 114.2516 1.832094  2762.340       87.15324 2523.704       
128.1485 2967.702       118.8794 109.6218 2.784438 118.8815 2.381845 -9.259651 
3.664189 
1 1 1 -11 -3  4  o 218.2323 2.476643  9981.981       225.9260 9772.709       
304.1831 10239.47       337.4090 215.6933 3.359073 220.7712 3.640285 -5.077881 
4.953286 
1 1 1 -11 -3  5  o 260.0745 2.496174  13997.96       258.5575 13563.68       
316.4250 14870.52       448.5216 254.1243 2.965826 266.0248 4.015895 -11.90051 
4.992348 
1 1 1 -11 -3  6  o 422.9142 4.361364  37970.70       700.6130 36850.27       
1297.282 38432.05       832.4526 418.2452 7.387960 427.5832 4.637244 -9.337982 
8.722729 
1 1 1 -11 -3  7  o 325.9002 5.086423  22551.40       660.5873 21806.44       
1118.286 22950.67       818.6926 321.5444 8.283863 330.2561 5.904608 -8.711670 
10.17285 
1 1 1 -11 -3  8  f 286.0177 3.387480  17095.66       405.1668 16054.89       
544.2586 18389.44       606.8174 276.3239 4.691458 295.7115 4.887772 -19.38754 
6.774961 
1 1 1 -11 -3  9  o 212.2439 3.481717  8945.947       182.9015 10149.18       
607.9090 8826.186       191.7880 219.4798 6.597283 205.0081 2.228289 14.47166 
6.963434 
1 1 1 -11 -3  10 o 172.6975 2.564236  6332.826       168.0522 6117.727       
311.3415 6421.260       199.6310 170.5591 4.347937 174.8360 2.719683 -4.276840 
5.128472 
1 1 1 -11 -3  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -3  12 o 83.88195 2.049624  1474.446       69.59510 1494.559       
115.1948 1462.885       87.33562 84.31890 3.254086 83.44500 2.492942 0.8739014 
4.099248 
1 1 1 -11 -3  13 o 68.04552 2.175464  979.9392       60.91582 939.1380       
95.09637 1008.331       79.32777 66.82531 3.389566 69.26572 2.727896 -2.440414 
4.350928 
1 1 1 -11 -3  14 o 141.9794 3.369837  4238.273       200.5553 4041.150       
274.4152 4464.284       293.8356 138.4514 4.720978 145.5075 4.809945 -7.056122 
6.739674 
1 1 1 -11 -3  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -3  16 o 109.1729 3.027599  2509.056       137.2535 2547.424       
210.9420 2480.886       180.7486 109.8582 4.573529 108.4875 3.968406 1.370720 
6.055197 
1 1 1 -11 -3  17 o 63.58703 3.007350  847.6019       79.94022 909.8881       
120.0143 797.9281       107.1768 65.66608 4.353245 61.50798 4.150405 4.158100 
6.014699 
1 1 1 -11 -3  18 o 160.6591 3.976810  5330.195       251.7363 5851.759       
449.1791 5091.362       303.9569 166.0355 6.443764 155.2828 4.662402 10.75270 
7.953621 
1 1 1 -11 -3  19 o 77.77492 2.839280  1219.389       90.15224 1524.694       
150.5898 1048.848       112.5492 85.00932 4.219394 70.54051 3.800363 14.46881 
5.678560 
1 1 1 -11 -3  20 o 124.9919 3.302212  3300.975       170.8918 3320.799       
264.8891 3286.842       223.6628 125.2379 5.037896 124.7458 4.270598 0.4920959 
6.604423 
1 1 1 -11 -3  21 f 56.40948 3.570224  678.8609       83.90133 641.8726       
124.5835 709.5599       113.4985 54.95177 5.400076 57.86719 4.671741 -2.915424 
7.140447 
1 1 1 -11 -3  22 o 35.70918 4.904415  269.2650       71.66014 445.9555       
111.3986 144.5362       93.59584 45.67890 5.808784 25.73946 7.903870 19.93944 
9.808829 
1 1 1 -11 -3  23 o 45.93787 3.916104  435.0289       74.11351 559.6602       
118.7171 355.4359       94.87191 51.13062 5.530361 40.74512 5.546042 10.38551 
7.832207 
1 1 1 -11 -3  24 o 90.45126 2.888190  1755.530       106.3419 1675.738       
170.7043 1806.133       135.9429 88.60005 4.589142 92.30247 3.508038 -3.702423 
5.776379 
1 1 1 -11 -3  25 f 118.4580 3.112470  2964.594       150.0051 3161.275       
247.7528 2850.765       188.4786 121.2647 4.866372 115.6514 3.881792 5.613274 
6.224941 
1 1 1 -11 -3  26 o 102.0026 3.184357  2228.918       133.7269 2298.708       
212.1689 2182.921       172.2477 103.0835 4.902454 100.9217 4.065275 2.161812 
6.368713 
1 1 1 -11 -3  27 o 24.94823 5.863875  134.8815       70.82558 184.0418       
113.9387 103.9239       90.41653 27.79770 8.758210 22.09875 7.799608 5.698948 
11.72775 
1 1 1 -11 -3  28 o 21.92467 6.028773  83.84135       78.98965 124.2239       
123.6357 55.98929       102.6776 24.14474 9.042161 19.70459 7.976450 4.440151 
12.05755 
1 1 1 -11 -3  29 o 19.02035 5.385780  25.58649       69.49732 128.5860       
108.5176 -46.03183      90.48878 23.67775 8.525736 14.36295 6.583186 9.314796 
10.77156 
1 1 1 -11 -3  30 o 50.68340 4.181400  595.1893       86.83341 550.3177       
134.6518 627.1346       113.6133 48.49497 6.613577 52.87183 5.118303 -4.376862 
8.362800 
1 1 1 -11 -3  31 o 30.64322 6.438946  255.8327       88.69701 310.5684       
134.9309 214.1839       117.7002 33.33297 9.295951 27.95348 8.912092 5.379482 
12.87789 
1 1 1 -11 -3  32 o 20.87094 5.990430  102.5915       81.68258 78.26316       
135.4761 116.4866       102.3855 20.38151 8.765933 21.36037 8.166971 
-0.9788570     11.98086 
1 1 1 -11 -2  1  o 386.5836 4.138311  31395.95       664.7142 31680.26       
1017.837 31184.51       877.7407 388.0561 6.247476 385.1111 5.428768 2.945068 
8.276622 
1 1 1 -11 -2  2  o 486.0702 8.745067  50108.61       1779.632 48793.90       
2595.388 51275.28       2444.907 479.8646 12.88263 492.2758 11.82973 -12.41116 
17.49013 
1 1 1 -11 -2  3  o 278.5188 3.716871  16095.82       338.6490 16653.31       
790.2723 15970.42       374.8060 281.2961 6.691663 275.7415 3.237617 5.554657 
7.433742 
1 1 1 -11 -2  4  o 373.1840 2.558274  29215.02       400.5216 28111.00       
553.7461 30426.26       580.0127 365.8020 3.605667 380.5660 3.630183 -14.76401 
5.116549 
1 1 1 -11 -2  5  o 342.1051 5.097231  24941.21       588.7252 24149.31       
1295.696 25147.24       660.8851 338.3149 9.122273 345.8953 4.550953 -7.580383 
10.19446 
1 1 1 -11 -2  6  o 153.1982 1.819164  4846.727       115.4536 4458.999       
149.3708 5422.120       181.9635 145.7174 2.441604 160.6790 2.697405 -14.96158 
3.638327 
1 1 1 -11 -2  7  o 176.9106 2.310506  6549.096       171.0602 6275.512       
231.0911 6880.705       254.4194 172.8426 3.184589 180.9785 3.348454 -8.135864 
4.621012 
1 1 1 -11 -2  8  o 179.4588 2.820534  6569.244       159.1978 7072.425       
394.4235 6471.318       174.0007 183.3749 5.123230 175.5427 2.360965 7.832275 
5.641068 
1 1 1 -11 -2  9  o 343.2773 6.010605  24866.14       865.2084 25215.50       
1258.440 24552.98       1191.483 345.5203 8.675209 341.0344 8.321672 4.485870 
12.02121 
1 1 1 -11 -2  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -2  11 o 176.2923 2.684233  6588.143       188.6249 6359.594       
319.0717 6710.926       233.8667 173.8782 4.370834 178.7065 3.117088 -4.828262 
5.368466 
1 1 1 -11 -2  12 o 60.38113 2.286819  777.1168       57.06068 689.3102       
85.56272 847.4458       76.57520 57.25777 3.559355 63.50451 2.872134 -6.246738 
4.573637 
1 1 1 -11 -2  13 o 115.8573 2.303870  2818.786       106.6045 2833.426       
181.4748 2811.071       131.7289 116.0583 3.724444 115.6564 2.712892 0.4018478 
4.607739 
1 1 1 -11 -2  14 o 89.97996 2.090280  1731.303       75.46661 1599.458       
124.3106 1808.255       94.96956 87.19791 3.395653 92.76200 2.438571 -5.564087 
4.180560 
1 1 1 -11 -2  15 o 45.13212 3.757608  428.8149       71.07521 397.9342       
97.54580 463.7649       103.7741 43.40359 5.353083 46.86065 5.274749 -3.457054 
7.515216 
1 1 1 -11 -2  16 o 102.3912 3.996750  2209.696       171.8101 0.000000       
0.000000 2209.696       171.8101 ?        ?        102.3912 3.996750 ? ? 
1 1 1 -11 -2  17 o 102.9435 2.858572  2239.809       122.5930 2190.208       
184.0827 2279.340       164.3378 101.8863 4.303466 104.0007 3.763763 -2.114426 
5.717144 
1 1 1 -11 -2  18 o 34.41355 5.091151  271.0953       73.20948 140.8214       
106.7103 386.9351       100.6252 26.07447 8.500022 42.75264 5.606150 -16.67817 
10.18230 
1 1 1 -11 -2  19 o 120.3111 2.906834  3051.859       145.3867 3059.016       
221.7627 3046.465       192.5367 120.3957 4.387312 120.2264 3.814476 0.1693649 
5.813668 
1 1 1 -11 -2  20 o 51.58407 3.535151  562.4977       76.48907 597.6000       
109.7555 529.3508       106.6549 53.15396 4.918263 50.01417 5.079357 3.139797 
7.070302 
1 1 1 -11 -2  21 o 28.57948 5.883108  179.3300       73.91353 180.3344       
116.6380 178.6559       95.54750 28.78230 8.820272 28.37665 7.787595 0.4056511 
11.76622 
1 1 1 -11 -2  22 o 129.1807 3.343437  3532.071       173.7450 3578.832       
291.4866 3506.302       216.3871 129.6387 5.355562 128.7228 4.004028 0.9158783 
6.686874 
1 1 1 -11 -2  23 o 84.32842 3.000725  1516.304       105.5554 1327.700       
149.8904 1701.856       148.6728 79.04063 4.516941 89.61621 3.951537 -10.57558 
6.001450 
1 1 1 -11 -2  24 o 76.18220 3.028374  1198.974       95.34388 1455.516       
151.9905 1032.524       122.4278 82.68259 4.378480 69.68181 4.184867 13.00078 
6.056749 
1 1 1 -11 -2  25 o 112.7255 3.030839  2715.599       142.4691 2694.252       
213.7325 2732.668       191.1218 112.2115 4.536849 113.2395 4.020067 -1.028069 
6.061678 
1 1 1 -11 -2  26 o 23.42746 5.673946  114.4232       66.78639 141.1228       
103.2525 95.21699       87.57288 25.20713 8.361174 21.64778 7.672381 3.559347 
11.34789 
1 1 1 -11 -2  27 o 59.42168 3.417770  750.9893       84.36022 915.3127       
129.7322 630.6006       111.0429 64.97154 4.756043 53.87181 4.909648 11.09973 
6.835539 
1 1 1 -11 -2  28 o 93.13918 3.125222  1887.859       121.5537 1836.841       
179.9003 1930.716       164.8853 91.80013 4.667772 94.47823 4.156917 -2.678093 
6.250444 
1 1 1 -11 -2  29 o 23.81126 5.951952  130.1337       74.98909 105.2122       
109.9068 151.8405       102.5737 22.47813 8.500196 25.14439 8.333644 -2.666265 
11.90390 
1 1 1 -11 -2  30 o 52.72553 3.928364  637.7125       85.30975 536.2557       
125.2651 725.4725       116.5033 48.31030 6.176059 57.14077 4.856384 -8.830471 
7.856728 
1 1 1 -11 -2  31 o 44.58447 5.174563  488.6445       91.87236 478.8655       
145.6159 495.1115       118.4157 43.11366 8.342559 46.05528 6.124224 -2.941620 
10.34913 
1 1 1 -11 -2  32 o 46.46101 5.029312  540.3490       95.26865 461.5505       
128.7831 635.5932       141.5855 42.11782 7.557263 50.80420 6.638047 -8.686378 
10.05862 
1 1 1 -11 -1  1  o 85.18759 2.425101  1513.699       84.43298 1479.195       
107.1472 1570.225       137.1415 83.92185 3.041072 86.45333 3.778404 -2.531479 
4.850201 
1 1 1 -11 -1  2  o 360.2386 4.912969  27306.29       652.9601 27337.59       
1276.937 27295.20       759.8096 360.1422 8.445331 360.3350 5.022494 
-0.1928101     9.825938 
1 1 1 -11 -1  3  o 66.77635 2.288120  934.5476       61.00073 943.2550       
104.0393 929.9861       75.30242 67.00665 3.698286 66.54605 2.695304 0.4606018 
4.576241 
1 1 1 -11 -1  4  o 252.5120 2.419434  13433.02       252.1237 13178.38       
392.6864 13611.61       328.8581 250.4533 3.734567 254.5706 3.076956 -4.117355 
4.838869 
1 1 1 -11 -1  5  o 431.4738 4.386092  39201.11       759.1224 39074.89       
1277.453 39270.02       943.8500 430.7859 7.063249 432.1616 5.202090 -1.375702 
8.772184 
1 1 1 -11 -1  6  o 289.5220 6.132142  16609.04       384.8576 18972.12       
1480.983 16437.90       398.5499 299.3135 11.78541 279.7306 3.393625 19.58292 
12.26428 
1 1 1 -11 -1  7  o 164.1842 2.537286  5322.693       122.6171 6153.336       
335.1382 5194.318       131.7520 171.0855 4.665861 157.2830 1.995247 13.80255 
5.074571 
1 1 1 -11 -1  8  o 274.8116 4.706912  15781.63       500.9125 16221.59       
909.9955 15590.37       599.9929 277.3719 7.814441 272.2514 5.249247 5.120453 
9.413824 
1 1 1 -11 -1  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 -1  10 f 204.6341 2.484631  8656.847       195.3255 9154.118       
362.3966 8453.238       231.8907 208.6646 4.136723 200.6035 2.753377 8.061035 
4.969262 
1 1 1 -11 -1  11 o 231.0183 2.871993  11254.16       264.1974 11121.59       
450.6257 11323.60       326.1290 229.9152 4.668414 232.1215 3.346533 -2.206268 
5.743986 
1 1 1 -11 -1  12 o 21.26999 4.632934  92.52562       44.70478 111.7217       
71.19107 80.02789       57.44272 22.89938 6.865742 19.64060 6.222370 3.258785 
9.265868 
1 1 1 -11 -1  13 f 173.6717 2.556489  6279.952       160.9612 6469.892       
325.5943 6218.518       185.1710 175.3103 4.423747 172.0330 2.563790 3.277374 
5.112979 
1 1 1 -11 -1  14 o 62.85585 2.383187  813.7284       61.73583 919.4053       
99.27109 747.0828       78.83483 66.10654 3.576839 59.60516 3.150325 6.501373 
4.766375 
1 1 1 -11 -1  15 o 125.3080 2.180090  3314.740       107.5016 3267.913       
187.6301 3337.624       131.1644 124.6029 3.586704 126.0131 2.479257 -1.410210 
4.360179 
1 1 1 -11 -1  16 o 252.5832 3.398980  13329.95       341.7466 13902.12       
590.7839 13042.20       418.9566 256.3984 5.488256 248.7679 4.011397 7.630508 
6.797960 
1 1 1 -11 -1  17 o 71.87572 3.019497  1097.440       90.44395 1003.602       
132.3871 1179.569       123.8531 68.94829 4.573442 74.80315 3.943737 -5.854858 
6.038993 
1 1 1 -11 -1  18 o 70.41200 4.508862  1046.473       133.2885 1046.473       
133.2885 0.000000       0.000000 70.41200 4.508862 ?        ?        ? ? 
1 1 1 -11 -1  19 o 141.8093 3.292603  4237.093       194.9631 4333.122       
292.7632 4160.569       261.3431 143.2110 4.869243 140.4077 4.433444 2.803268 
6.585207 
1 1 1 -11 -1  20 o 153.7414 3.525679  4993.377       227.2677 4901.064       
312.2927 5097.308       331.3646 152.2552 4.885521 155.2276 5.084616 -2.972443 
7.051357 
1 1 1 -11 -1  21 o 202.1192 4.974597  8741.850       419.6817 8657.351       
626.2819 8810.721       565.4135 201.0255 7.420612 203.2128 6.627292 -2.187286 
9.949195 
1 1 1 -11 -1  22 o 142.1691 2.901402  4263.230       171.7952 4379.901       
261.4427 4174.572       227.9057 143.8119 4.330150 140.5264 3.862944 3.285538 
5.802804 
1 1 1 -11 -1  23 o 18.50723 5.279521  -0.1552634     67.67912 99.18291       
105.0767 -70.58392      88.47549 23.13904 8.383752 13.87541 6.419193 9.263635 
10.55904 
1 1 1 -11 -1  24 o 64.45661 3.160413  895.4665       83.33025 829.8873       
130.8607 940.1964       108.0750 62.33493 5.000332 66.57830 3.866462 -4.243374 
6.320827 
1 1 1 -11 -1  25 o 27.07028 5.724119  149.5198       70.75530 240.5204       
115.1485 94.31750       89.68398 32.26634 8.414033 21.87422 7.763132 10.39213 
11.44824 
1 1 1 -11 -1  26 o 98.28790 2.876646  2039.539       116.4180 2193.156       
186.2998 1941.120       149.1185 101.1427 4.387317 95.43314 3.721804 5.709534 
5.753292 
1 1 1 -11 -1  27 o 50.99537 3.696071  574.4636       77.42619 518.0366       
118.7339 616.2103       102.1273 48.56305 5.823579 53.42770 4.552986 -4.864655 
7.392142 
1 1 1 -11 -1  28 o 41.38666 4.888382  414.7716       77.60245 310.5155       
123.7033 482.4247       99.64928 35.82045 8.368433 46.95286 5.055140 -11.13240 
9.776764 
1 1 1 -11 -1  29 o 18.20093 5.554930  14.75776       77.27662 1.686701       
115.9168 25.21399       103.6761 18.14520 7.956594 18.25667 7.753813 
-0.1114712     11.10986 
1 1 1 -11 -1  30 o 42.14958 5.041796  424.8385       85.86486 393.5010       
128.8507 449.8711       115.1616 39.95761 7.963092 44.34156 6.186114 -4.383953 
10.08359 
1 1 1 -11 -1  31 f 57.56990 3.814129  753.2349       91.00720 744.4085       
139.3900 759.7929       120.1499 56.90829 5.834144 58.23150 4.914580 -1.323208 
7.628259 
1 1 1 -11 -1  32 o 25.29914 6.359134  176.7047       87.94982 119.3879       
131.2283 223.4441       118.5026 22.45195 9.046759 28.14632 8.939268 -5.694370 
12.71827 
1 1 1 -11 -1  33 o 21.31633 5.795895  38.52653       89.70011 260.5294       
133.6744 -143.3228      120.9831 29.02831 9.513515 13.60435 6.622884 15.42396 
11.59179 
1 1 1 -11 0   1  o 163.4542 2.330348  5586.733       153.8666 5703.587       
256.3918 5520.960       192.3554 164.7707 3.706340 162.1378 2.825799 2.632919 
4.660697 
1 1 1 -11 0   2  o 140.3959 2.148070  4130.369       119.3544 4168.343       
207.2495 4111.525       145.9954 140.8653 3.504374 139.9265 2.485193 0.9388428 
4.296141 
1 1 1 -11 0   3  o 160.5451 2.058121  5429.801       134.9062 5341.396       
216.9151 5485.564       172.2782 159.4667 3.239970 161.6235 2.538907 -2.156830 
4.116243 
1 1 1 -11 0   4  o 266.3943 4.895008  14718.30       357.4832 15234.46       
1034.222 14648.26       380.9651 268.7209 9.167130 264.0677 3.436299 4.653137 
9.790016 
1 1 1 -11 0   5  o 40.61081 4.600936  363.0506       65.27714 334.3707       
129.3614 372.8481       75.60938 39.10073 8.148222 42.12088 4.275622 -3.020142 
9.201873 
1 1 1 -11 0   6  o 301.6731 7.988302  18908.14       642.9295 19719.85       
1919.482 18805.57       682.3444 304.3190 15.02367 299.0272 5.435181 5.291748 
15.97660 
1 1 1 -11 0   7  o 318.0425 8.390095  21329.83       950.0608 21632.46       
1962.849 21237.24       1085.714 318.7209 14.66889 317.3640 8.148522 1.356903 
16.78019 
1 1 1 -11 0   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 0   9  o 144.6760 2.472190  4362.118       129.4428 4469.147       
262.1999 4327.627       148.8457 145.8047 4.283336 143.5473 2.469803 2.257339 
4.944380 
1 1 1 -11 0   10 o 113.6102 2.149177  2727.206       99.10921 2649.953       
161.2167 2774.140       125.6589 112.2970 3.419502 114.9234 2.604391 -2.626343 
4.298354 
1 1 1 -11 0   11 o 159.4642 2.260053  5290.105       140.2071 5485.077       
253.1881 5203.872       168.3821 161.5319 3.733414 157.3965 2.548132 4.135391 
4.520106 
1 1 1 -11 0   12 o 362.0440 5.618329  27853.96       792.7220 27359.52       
1406.756 28084.01       959.5856 359.1689 9.329129 364.9191 6.263371 -5.750244 
11.23666 
1 1 1 -11 0   13 o 192.0439 2.837662  7573.839       183.9599 8074.346       
414.8042 7451.298       205.2479 195.7724 5.046760 188.3152 2.596058 7.457199 
5.675324 
1 1 1 -11 0   14 o 68.62000 2.267616  1006.533       63.87793 899.8669       
98.21356 1084.735       84.09491 65.40247 3.576830 71.83753 2.788299 -6.435059 
4.535232 
1 1 1 -11 0   15 o 82.78099 2.092126  1407.642       69.97887 1561.598       
118.5803 1325.373       86.68243 86.15684 3.278265 79.40514 2.600181 6.751701 
4.184251 
1 1 1 -11 0   16 o 83.46278 2.188772  1452.188       74.28643 1518.895       
122.4670 1413.354       93.43971 84.94336 3.434081 81.98222 2.714769 2.961143 
4.377543 
1 1 1 -11 0   17 o 195.9371 2.911098  8145.495       219.2366 7970.751       
398.5711 8221.302       262.5188 194.2395 4.887528 197.6348 3.163866 -3.395218 
5.822197 
1 1 1 -11 0   18 o 202.3800 5.061471  8752.425       428.2882 8116.107       
617.9757 9340.545       594.1110 195.1192 7.543842 209.6408 6.750142 -14.52161 
10.12294 
1 1 1 -11 0   19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 0   20 o 18.54745 5.443122  12.12284       71.92682 -41.60818      
107.9074 55.08300       96.48765 16.84810 7.506517 20.24681 7.884319 -3.398710 
10.88624 
1 1 1 -11 0   21 o 143.4092 3.352613  4345.201       199.3145 4389.666       
307.8721 4313.118       261.5143 143.9532 5.094130 142.8652 4.360035 1.088028 
6.705227 
1 1 1 -11 0   22 o 76.40125 3.148569  1247.565       99.80341 1145.463       
149.2768 1330.095       134.2092 73.48791 4.838354 79.31458 4.030419 -5.826675 
6.297138 
1 1 1 -11 0   23 o 86.53442 2.888041  1583.022       104.7256 1452.263       
144.8539 1726.213       151.5840 82.78210 4.167877 90.28674 3.998990 -7.504639 
5.776082 
1 1 1 -11 0   24 f 21.72398 5.799365  71.55502       72.16653 114.6895       
112.7488 41.61946       93.92758 24.33394 8.697464 19.11402 7.673632 5.219927 
11.59873 
1 1 1 -11 0   25 o 74.31152 3.008163  1170.535       91.39505 1202.313       
147.8475 1150.880       116.2722 75.00518 4.695090 73.61787 3.761956 1.387306 
6.016326 
1 1 1 -11 0   26 o 24.19110 5.727238  127.2092       69.35369 92.96133       
107.4257 151.6849       90.81529 22.52604 8.430039 25.85615 7.754964 -3.330103 
11.45448 
1 1 1 -11 0   27 o 77.15035 3.035776  1255.465       96.32846 1395.450       
155.5234 1168.336       122.6974 80.43955 4.605186 73.86115 3.956767 6.578400 
6.071552 
1 1 1 -11 0   28 o 27.76639 5.770102  166.3331       77.11344 289.3005       
118.0221 74.73240       101.8633 34.70481 8.216956 20.82796 8.102957 13.87684 
11.54020 
1 1 1 -11 0   29 o 27.95528 6.115410  191.1306       78.45906 188.7830       
121.9889 192.7868       102.4635 27.78227 9.088183 28.12829 8.185224 
-0.3460159     12.23082 
1 1 1 -11 0   30 o 19.88777 5.594201  58.01924       75.30426 -31.34482      
119.6420 116.6484       96.90787 17.11666 7.752769 22.65888 8.066901 -5.542223 
11.18840 
1 1 1 -11 0   31 f 49.39691 4.828368  579.6046       98.89158 497.3561       
142.0738 656.9059       137.7348 45.45802 7.444310 53.33580 6.151001 -7.877777 
9.656736 
1 1 1 -11 0   32 o 41.62414 6.011255  460.1845       101.3640 492.1923       
139.7751 424.6788       147.2149 43.81066 7.886737 39.43761 9.074146 4.373047 
12.02251 
1 1 1 -11 0   33 o 24.80269 6.629489  181.5876       97.06644 132.4400       
147.3571 219.2590       129.0105 22.68589 9.416447 26.91949 9.334402 -4.233601 
13.25898 
1 1 1 -11 1   1  o 55.38603 4.301302  658.6287       97.69767 509.7829       
140.8277 796.7280       135.6486 49.21386 6.815875 61.55821 5.248682 -12.34435 
8.602605 
1 1 1 -11 1   2  o 112.3431 2.939824  2650.063       130.7311 2657.947       
226.5667 2646.128       160.0650 112.4495 4.799098 112.2367 3.396898 0.2127762 
5.879648 
1 1 1 -11 1   3  o 262.5328 6.929411  14612.67       666.4594 14421.77       
1312.030 14679.05       773.7108 261.0071 11.97327 264.0585 6.979102 -3.051422 
13.85882 
1 1 1 -11 1   4  o 296.6382 7.178315  18480.66       795.9828 18820.27       
1530.496 18354.74       931.9369 298.0814 12.22978 295.1949 7.519667 2.886444 
14.35663 
1 1 1 -11 1   5  o 210.2178 4.623377  8429.330       155.0977 10291.06       
839.4037 8363.523       157.8150 220.8532 9.052912 199.5824 1.883419 21.27075 
9.246755 
1 1 1 -11 1   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 1   7  f 553.1578 15.43898  63442.15       2679.816 70774.65       
6663.985 62027.66       2926.903 565.7658 28.05552 540.5497 12.89715 25.21606 
30.87797 
1 1 1 -11 1   8  o 272.3315 4.337588  15263.20       324.6525 16076.56       
940.5571 15153.19       345.9122 276.0798 8.114684 268.5833 3.067665 7.496460 
8.675176 
1 1 1 -11 1   9  o 141.9201 2.391173  4274.575       133.1168 4110.788       
232.2785 4354.677       162.4384 139.8515 3.956060 143.9887 2.687084 -4.137192 
4.782345 
1 1 1 -11 1   10 f 179.5820 2.391141  6699.389       164.0474 6962.688       
306.0626 6593.255       194.3177 181.9926 4.005692 177.1713 2.612402 4.821259 
4.782281 
1 1 1 -11 1   11 o 351.5526 4.223383  26211.38       548.6140 25668.79       
1064.204 26407.76       640.2459 348.7538 7.268200 354.3514 4.303618 -5.597595 
8.446767 
1 1 1 -11 1   12 o 52.96077 2.551528  586.1246       55.79935 608.9284       
87.94011 570.7561       72.19382 53.81124 3.892558 52.11030 3.299875 1.700935 
5.103056 
1 1 1 -11 1   13 o 168.9150 2.768532  6018.330       190.5423 5934.413       
308.1679 6070.267       242.4396 167.9150 4.371383 169.9151 3.398543 -2.000015 
5.537065 
1 1 1 -11 1   14 o 71.37370 2.209661  1097.053       63.79044 963.6572       
101.4963 1184.150       82.01292 67.68277 3.571851 75.06462 2.602364 -7.381851 
4.419323 
1 1 1 -11 1   15 o 84.82092 2.128627  1524.932       74.08608 1453.846       
116.4637 1573.251       96.01845 83.13005 3.336981 86.51178 2.643629 -3.381729 
4.257254 
1 1 1 -11 1   16 o 38.04119 3.368139  302.4194       52.36347 318.1323       
85.29976 292.9173       66.33303 38.80555 5.235703 37.27683 4.238497 1.528717 
6.736279 
1 1 1 -11 1   17 o 248.3112 3.325585  13005.18       293.6040 13045.02       
606.5619 12992.99       335.5312 248.1744 5.821558 248.4480 3.216758 
-0.2736664     6.651171 
1 1 1 -11 1   18 o 113.2941 2.284975  2699.838       106.4297 2713.500       
168.7408 2690.813       137.1510 113.4994 3.541178 113.0889 2.888685 0.4104767 
4.569950 
1 1 1 -11 1   19 o 131.2677 2.872737  3669.922       147.4186 3531.151       
258.8046 3736.572       179.3605 129.3025 4.767448 133.2328 3.206541 -3.930237 
5.745473 
1 1 1 -11 1   20 o 222.2878 6.296020  10489.31       587.5713 0.000000       
0.000000 10489.31       587.5713 ?        ?        222.2878 6.296020 ? ? 
1 1 1 -11 1   21 o 160.5221 4.077428  5503.873       270.3841 5260.466       
416.3111 5681.454       355.5899 157.2602 6.305508 163.7840 5.171290 -6.523804 
8.154856 
1 1 1 -11 1   22 o 167.9711 3.686826  5999.361       259.5963 5780.613       
372.9731 6204.908       361.5429 164.9327 5.386315 171.0095 5.035709 -6.076782 
7.373653 
1 1 1 -11 1   23 o 194.5407 4.256550  8142.744       323.0495 7966.989       
570.7221 8225.602       391.8695 192.2949 7.069327 196.7865 4.743153 -4.491669 
8.513101 
1 1 1 -11 1   24 o 80.15352 3.040398  1353.203       101.2646 1440.106       
156.6259 1290.785       132.7397 82.29493 4.533270 78.01210 4.052843 4.282829 
6.080796 
1 1 1 -11 1   25 o 89.89883 3.172918  1721.115       117.6594 1733.813       
184.6379 1712.434       152.6731 90.04964 4.883824 89.74802 4.051900 0.3016129 
6.345836 
1 1 1 -11 1   26 o 22.31265 5.876594  74.80796       75.71214 150.8988       
117.3062 20.47877       99.12234 26.35033 8.912045 18.27497 7.662435 8.075359 
11.75319 
1 1 1 -11 1   27 o 71.85876 3.156510  1103.006       93.29446 1147.647       
148.7506 1074.059       119.7820 72.88975 4.860862 70.82779 4.028182 2.061958 
6.313020 
1 1 1 -11 1   28 o 23.38876 5.884917  116.3609       72.34252 119.8531       
110.7076 113.7585       95.56921 23.82627 8.608148 22.95124 8.026753 0.8750248 
11.76983 
1 1 1 -11 1   29 o 17.55919 5.431325  -1.498759      74.61145 13.50189       
118.0925 -11.46496      96.25702 18.84004 8.144521 16.27833 7.187765 2.561708 
10.86265 
1 1 1 -11 1   30 o 68.93121 3.390626  1057.102       96.76273 965.2394       
145.1231 1130.630       129.8358 65.88769 5.246304 71.97474 4.296704 -6.087051 
6.781251 
1 1 1 -11 1   31 o 30.27546 6.560057  241.5095       90.84176 256.2097       
136.1120 229.7024       121.9851 30.93093 9.538273 29.62000 9.008814 1.310930 
13.12011 
1 1 1 -11 1   32 o 63.93783 4.134896  938.1058       110.2919 1045.028       
167.9284 856.9969       146.2597 66.97521 5.972157 60.90044 5.720384 6.074768 
8.269792 
1 1 1 -11 1   33 o 16.90321 5.512273  -47.03468      91.29787 52.30766       
138.7132 -122.9602      121.2675 19.71329 8.673632 14.09312 6.805052 5.620163 
11.02455 
1 1 1 -11 2   1  o 193.1010 6.507198  7831.988       523.3553 8131.173       
798.0009 7606.179       693.2722 196.2714 9.684282 189.9306 8.694205 6.340744 
13.01440 
1 1 1 -11 2   2  o 460.5442 10.19667  45099.55       1925.108 44949.91       
3069.236 45196.59       2471.775 459.3008 15.91674 461.7876 12.74934 -2.486786 
20.39334 
1 1 1 -11 2   3  o 235.6479 8.487741  11707.34       839.7203 0.000000       
0.000000 11707.34       839.7203 ?        ?        235.6479 8.487741 ? ? 
1 1 1 -11 2   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 2   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 2   6  f 284.2608 5.940876  16616.46       618.9399 17915.13       
1244.404 16189.58       713.4479 291.1509 10.18039 277.3708 6.126644 13.78012 
11.88175 
1 1 1 -11 2   7  o 254.3612 3.825597  13337.33       283.2188 13989.59       
766.3984 13234.17       304.7943 257.7081 7.083495 251.0144 2.892206 6.693710 
7.651193 
1 1 1 -11 2   8  o 437.7313 6.610759  40169.27       975.3939 41010.71       
2178.585 39958.31       1090.832 439.7417 11.80043 435.7209 5.963078 4.020813 
13.22152 
1 1 1 -11 2   9  o 219.3998 3.280299  10138.51       284.3297 10074.15       
493.4590 10170.50       347.8844 218.8126 5.371552 219.9871 3.766681 -1.174454 
6.560598 
1 1 1 -11 2   10 o 100.7537 2.167790  2091.155       86.52122 2256.857       
152.2807 2012.165       105.1403 103.6307 3.500079 97.87670 2.558651 5.753960 
4.335579 
1 1 1 -11 2   11 o 106.5832 2.370534  2373.289       101.3716 2435.003       
171.7280 2340.284       125.5871 107.6230 3.800644 105.5435 2.834225 2.079445 
4.741068 
1 1 1 -11 2   12 o 89.88770 2.182713  1717.329       80.61388 1595.981       
125.2543 1803.140       105.3280 87.13447 3.423921 92.64092 2.708083 -5.506454 
4.365426 
1 1 1 -11 2   13 o 206.8917 2.972885  8869.732       216.7990 9261.806       
458.2818 8756.690       246.0758 209.6575 5.206468 204.1258 2.871389 5.531677 
5.945770 
1 1 1 -11 2   14 o 166.4042 2.351868  5827.606       156.2111 5809.199       
265.6965 5837.331       193.1128 166.1562 3.808819 166.6522 2.760077 
-0.4959869     4.703736 
1 1 1 -11 2   15 o 88.73979 2.238532  1674.426       81.82427 1553.104       
126.0672 1762.739       107.5583 85.91286 3.495144 91.56673 2.797868 -5.653877 
4.477064 
1 1 1 -11 2   16 o 53.50556 2.546525  582.9077       56.03619 703.9319       
91.18027 509.4561       71.03384 57.81428 3.756530 49.19685 3.439134 8.617435 
5.093050 
1 1 1 -11 2   17 o 142.4410 2.576938  4276.030       151.5026 4262.538       
236.8093 4285.378       197.1229 142.2050 3.966477 142.6769 3.290822 
-0.4719543     5.153877 
1 1 1 -11 2   18 o 116.5050 2.112369  2878.308       101.3848 2735.229       
157.3269 2979.924       132.5862 113.9796 3.287736 119.0304 2.653149 -5.050751 
4.224737 
1 1 1 -11 2   19 o 96.99200 2.164201  1997.432       85.43445 1905.263       
137.3056 2055.659       109.1338 95.11799 3.438322 98.86603 2.629258 -3.748039 
4.328401 
1 1 1 -11 2   20 o 81.79800 2.305359  1361.080       75.78831 1571.154       
130.9480 1255.267       92.93553 86.35577 3.611842 77.24024 2.865888 9.115532 
4.610717 
1 1 1 -11 2   21 o 98.74717 2.966889  2059.942       122.4476 2043.607       
181.5905 2073.563       165.8165 98.36044 4.397377 99.13390 3.984067 
-0.7734680     5.933778 
1 1 1 -11 2   22 o 161.7515 5.767470  5566.789       391.6630 5566.789       
391.6630 0.000000       0.000000 161.7515 5.767470 ?        ?        ? ? 
1 1 1 -11 2   23 o 119.3915 3.424613  3044.330       167.9248 2945.762       
264.2011 3111.139       217.5127 117.6057 5.350907 121.1773 4.275474 -3.571671 
6.849226 
1 1 1 -11 2   24 o 117.1499 3.348057  2888.039       160.8738 3070.106       
259.9056 2774.961       204.8266 119.9605 5.160577 114.3393 4.266893 5.621201 
6.696113 
1 1 1 -11 2   25 o 150.7051 3.983316  4884.948       251.7703 4746.339       
360.7818 5016.527       351.5131 148.5235 5.785893 152.8866 5.476375 -4.363068 
7.966633 
1 1 1 -11 2   26 o 47.41293 4.128099  490.5541       80.63749 466.5213       
124.8509 507.7544       105.6229 46.25265 6.429483 48.57321 5.179434 -2.320557 
8.256198 
1 1 1 -11 2   27 o 65.62735 3.518914  919.8929       95.84980 999.5128       
149.3759 864.1650       124.9701 67.91285 5.239014 63.34184 4.699336 4.571007 
7.037827 
1 1 1 -11 2   28 o 67.16465 3.342233  998.4440       91.96288 790.2345       
134.1840 1182.863       126.2854 60.13987 5.314464 74.18943 4.054451 -14.04956 
6.684466 
1 1 1 -11 2   29 o 77.12477 3.349326  1269.504       106.7222 1454.962       
170.2722 1149.508       136.9636 81.51356 4.975480 72.73599 4.485147 8.777565 
6.698653 
1 1 1 -11 2   30 o 17.82759 5.549122  -11.59376      82.92409 -71.84975      
121.4553 41.02152       113.4938 16.14507 7.489023 19.51012 8.190577 -3.365053 
11.09824 
1 1 1 -11 2   31 o 37.60353 6.444426  352.2495       100.5437 486.9054       
159.4693 263.4037       129.5337 43.53409 9.027983 31.67298 9.198805 11.86111 
12.88885 
1 1 1 -11 2   32 o 33.36223 6.706676  296.7487       100.3502 411.0573       
153.7003 211.8189       132.4845 38.80473 9.498247 27.91972 9.471078 10.88501 
13.41335 
1 1 1 -11 2   33 o 30.38221 6.923676  272.1911       99.17908 334.2767       
156.0829 230.1472       128.4433 32.76523 10.23640 27.99920 9.325512 4.766037 
13.84735 
1 1 1 -11 3   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 3   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 3   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 3   4  o 325.8846 8.231085  22431.89       1122.224 21899.07       
1517.172 23075.61       1667.601 321.7159 11.23268 330.0532 12.03453 -8.337219 
16.46217 
1 1 1 -11 3   5  o 154.6833 3.031768  4852.691       126.3943 5261.772       
377.3806 4801.004       134.1417 158.1572 5.683446 151.2095 2.113031 6.947708 
6.063535 
1 1 1 -11 3   6  o 56.66122 3.663597  690.8963       74.99479 644.1519       
148.6486 706.8568       86.85930 55.31876 6.400433 58.00368 3.566825 -2.684921 
7.327195 
1 1 1 -11 3   7  o 154.4630 3.098156  5067.401       171.5301 4914.794       
347.5760 5116.534       197.2191 152.8542 5.416183 156.0717 3.009857 -3.217484 
6.196312 
1 1 1 -11 3   8  o 358.9478 4.729235  26794.01       489.8256 27616.88       
1332.881 26665.53       526.6796 361.6531 8.778497 356.2424 3.521453 5.410675 
9.458469 
1 1 1 -11 3   9  o 113.3590 2.241145  2696.769       100.0958 2708.373       
175.1341 2691.139       121.9824 113.5236 3.674563 113.1943 2.566809 0.3292770 
4.482290 
1 1 1 -11 3   10 o 107.5058 2.226057  2376.355       96.25051 2606.288       
164.5276 2256.720       118.6776 111.3625 3.519012 103.6491 2.727245 7.713425 
4.452114 
1 1 1 -11 3   11 o 79.29654 2.201684  1334.123       72.27438 1233.121       
109.3505 1412.472       96.30978 76.59789 3.400361 81.99519 2.797713 -5.397308 
4.403368 
1 1 1 -11 3   12 f 96.38083 2.042798  1950.479       81.46284 1960.459       
126.5756 1943.422       106.4359 96.58307 3.121549 96.17860 2.635911 0.4044724 
4.085596 
1 1 1 -11 3   13 o 82.44293 2.233500  1466.969       74.88855 1243.666       
115.9830 1626.631       98.07255 76.90149 3.592368 87.98438 2.654990 -11.08289 
4.466999 
1 1 1 -11 3   14 o 155.7465 2.379214  5062.330       145.7001 5212.936       
257.4622 4991.375       176.7201 157.3878 3.896401 154.1052 2.731427 3.282593 
4.758428 
1 1 1 -11 3   15 o 91.01027 2.247097  1733.402       84.33730 1787.974       
133.2715 1696.951       108.9213 92.18339 3.443543 89.83715 2.887871 2.346237 
4.494195 
1 1 1 -11 3   16 o 99.99052 2.222972  2109.061       92.23214 2066.258       
140.8814 2141.168       122.0152 99.08210 3.386721 100.8989 2.880372 -1.816833 
4.445944 
1 1 1 -11 3   17 o 117.7140 2.015855  2891.320       97.14233 3019.384       
157.2926 2812.355       123.5121 119.7786 3.127880 115.6493 2.543826 4.129303 
4.031710 
1 1 1 -11 3   18 f 87.90051 2.139936  1638.791       77.10415 1564.355       
121.6039 1688.837       99.71002 86.19241 3.360466 89.60861 2.650392 -3.416206 
4.279872 
1 1 1 -11 3   19 o 130.8306 2.404336  3535.877       119.6951 3766.112       
226.0584 3446.182       141.0969 133.6519 4.028717 128.0094 2.625407 5.642441 
4.808672 
1 1 1 -11 3   20 o 63.78775 2.477462  853.7260       65.07846 873.9254       
103.1111 840.3520       83.90057 64.39231 3.814103 63.18319 3.162893 1.209126 
4.954924 
1 1 1 -11 3   21 o 90.87709 2.208753  1752.446       83.34563 1633.759       
125.0029 1847.438       111.8311 88.06144 3.381078 93.69275 2.843004 -5.631310 
4.417506 
1 1 1 -11 3   22 o 107.3875 2.764152  2399.698       120.9780 2581.635       
199.4191 2293.749       152.1797 110.4930 4.298857 104.2819 3.475913 6.211143 
5.528304 
1 1 1 -11 3   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 3   24 o 78.59048 3.078263  1304.813       100.4595 1353.639       
155.0773 1269.507       131.8699 79.79370 4.629144 77.38728 4.058796 2.406425 
6.156525 
1 1 1 -11 3   25 o 72.23878 3.164301  1108.984       95.20252 1129.882       
144.5921 1092.990       126.4899 72.77714 4.732281 71.70042 4.201991 1.076721 
6.328603 
1 1 1 -11 3   26 o 40.76165 4.871211  352.9426       79.77435 484.6687       
127.7273 268.6943       102.1477 47.16815 6.449945 34.35515 7.301574 12.81300 
9.742421 
1 1 1 -11 3   27 o 77.68525 3.135912  1292.873       101.5092 1314.089       
153.7289 1276.472       135.1672 78.15057 4.685377 77.21993 4.169297 0.9306335 
6.271825 
1 1 1 -11 3   28 o 36.62931 5.715226  318.4413       83.96914 308.7370       
134.5479 324.6321       107.4657 35.73110 8.973983 37.52753 7.079750 -1.796425 
11.43045 
1 1 1 -11 3   29 o 79.84853 3.351529  1399.533       110.5992 1321.482       
169.0748 1457.911       146.2235 77.59757 5.189816 82.09949 4.242263 -4.501923 
6.703058 
1 1 1 -11 3   30 o 26.72480 6.509897  165.9898       88.30160 221.4633       
136.1737 125.7393       115.9942 29.57239 9.601969 23.87722 8.793021 5.695164 
13.01979 
1 1 1 -11 3   31 o 24.10561 6.485898  129.3344       92.35279 91.90749       
137.3201 160.2428       124.7903 22.58553 9.193811 25.62569 9.151031 -3.040165 
12.97180 
1 1 1 -11 3   32 o 37.63926 6.376567  371.2592       99.75414 450.3841       
148.9351 306.8838       134.3387 41.53830 8.808041 33.74022 9.222845 7.798073 
12.75313 
1 1 1 -11 3   33 o 63.97843 4.384829  970.9887       117.1377 1055.297       
177.2316 905.5944       156.0905 66.19988 6.376833 61.75698 6.020206 4.442902 
8.769657 
1 1 1 -11 3   34 o 21.92878 6.288667  106.4890       99.57548 -18.77296      
150.7034 203.5495       132.6583 17.97093 8.338344 25.88663 9.416015 -7.915707 
12.57733 
1 1 1 -11 4   1  o 48.51544 5.334419  495.4640       108.5654 486.7311       
150.0185 505.0665       157.3103 48.06946 7.433557 48.96143 7.652865 
-0.8919678     10.66884 
1 1 1 -11 4   2  o 241.1139 5.987319  12198.11       601.6674 12744.19       
915.6693 11783.20       798.1565 245.7859 8.873660 236.4419 8.040531 9.344025 
11.97464 
1 1 1 -11 4   3  o 223.4312 5.230950  10520.06       462.4556 10503.71       
800.9498 10528.24       566.4067 223.1706 8.548491 223.6918 6.031140 
-0.5212250     10.46190 
1 1 1 -11 4   4  o 339.0117 9.959322  24099.12       1140.326 25013.25       
2546.871 23869.92       1275.296 341.7047 17.75321 336.3188 9.031936 5.385986 
19.91864 
1 1 1 -11 4   5  o 551.1172 12.58170  64249.61       2155.871 66406.54       
5336.472 63828.92       2356.751 552.7314 22.99647 549.5030 10.21562 3.228455 
25.16339 
1 1 1 -11 4   6  o 228.8593 5.778774  10919.67       394.7279 11227.08       
1030.486 10866.81       427.3207 230.3538 10.65536 227.3648 4.476636 2.988998 
11.55755 
1 1 1 -11 4   7  o 303.5222 4.663017  19108.83       457.3951 19862.06       
1085.045 18946.05       504.4015 306.7978 8.423964 300.2467 4.001467 6.551117 
9.326034 
1 1 1 -11 4   8  o 75.50131 2.399956  1212.937       73.84789 1130.729       
117.4976 1266.614       94.94395 73.35075 3.815448 77.65188 2.912302 -4.301125 
4.799911 
1 1 1 -11 4   9  o 111.2804 2.590351  2576.678       113.7664 2677.736       
200.0159 2528.348       138.3204 112.8561 4.221437 109.7046 3.003187 3.151550 
5.180701 
1 1 1 -11 4   10 o 99.47690 2.157045  2105.328       88.16020 1939.150       
136.6072 2223.937       115.4107 96.06013 3.387284 102.8937 2.671643 -6.833542 
4.314090 
1 1 1 -11 4   11 o 242.8527 2.788968  12487.50       256.3031 12201.06       
478.4598 12602.78       303.5261 240.7964 4.732781 244.9089 2.951974 -4.112457 
5.577936 
1 1 1 -11 4   12 o 44.26588 2.966906  403.8561       54.41749 464.2928       
85.84338 363.2535       70.36121 46.97471 4.352750 41.55706 4.032827 5.417648 
5.933812 
1 1 1 -11 4   13 o 186.1718 2.656404  7183.361       190.4001 7558.421       
351.4802 7027.590       226.5141 189.4885 4.418136 182.8552 2.950592 6.633286 
5.312807 
1 1 1 -11 4   14 o 181.0478 3.139579  6909.616       231.8098 6878.842       
374.9222 6928.661       294.9415 180.6489 4.943412 181.4467 3.871756 
-0.7977448     6.279157 
1 1 1 -11 4   15 o 101.6175 2.293615  2169.584       95.92414 2185.170       
151.6829 2159.197       123.8302 101.9007 3.545527 101.3344 2.910655 0.5662842 
4.587230 
1 1 1 -11 4   16 o 72.64188 2.350212  1124.216       69.60409 1049.924       
110.6807 1172.819       89.52201 70.60784 3.733704 74.67590 2.855422 -4.068062 
4.700424 
1 1 1 -11 4   17 o 131.4416 1.997143  3652.101       107.9257 3543.920       
169.5410 3725.808       139.9426 129.7677 3.111925 133.1156 2.504045 -3.347885 
3.994286 
1 1 1 -11 4   18 o 126.3408 2.342003  3290.743       114.8910 3544.342       
209.9764 3182.375       137.2607 129.6749 3.856877 123.0068 2.657897 6.668030 
4.684006 
1 1 1 -11 4   19 o 179.9717 2.421395  6768.434       158.7882 6926.167       
318.1736 6716.119       183.2384 181.2181 4.181996 178.7254 2.442032 2.492722 
4.842790 
1 1 1 -11 4   20 o 55.35617 2.782478  644.2254       63.30724 654.7684       
100.7158 637.3390       81.39787 55.70609 4.306417 55.00625 3.524699 0.6998367 
5.564955 
1 1 1 -11 4   21 o 119.4853 2.482688  2998.691       121.6716 3054.164       
194.8372 2963.230       155.7811 120.3408 3.856384 118.6299 3.127820 1.710915 
4.965376 
1 1 1 -11 4   22 o 51.71904 3.061913  552.7100       64.64875 619.7748       
106.8702 514.0046       81.18843 54.10281 4.704981 49.33528 3.919744 4.767529 
6.123826 
1 1 1 -11 4   23 o 113.0005 2.882590  2652.348       123.5394 2819.098       
234.3392 2588.167       145.3828 115.2272 4.844076 110.7739 3.126057 4.453331 
5.765180 
1 1 1 -11 4   24 o 23.63108 8.176247  111.8748       98.93677 0.000000       
0.000000 111.8748       98.93677 ?        ?        23.63108 8.176247 ? ? 
1 1 1 -11 4   25 o 85.66172 3.132202  1547.830       111.8428 1675.792       
170.8781 1451.928       147.9311 88.68814 4.589253 82.63530 4.263978 6.052841 
6.264404 
1 1 1 -11 4   26 o 96.46490 3.091024  1991.186       124.8581 1889.131       
179.9492 2085.931       173.3857 94.00508 4.559526 98.92473 4.174739 -4.919647 
6.182049 
1 1 1 -11 4   27 o 85.95959 3.053411  1593.041       109.3069 1484.948       
161.6294 1684.145       148.3851 83.12470 4.631391 88.79447 3.980389 -5.669769 
6.106822 
1 1 1 -11 4   28 o 80.51164 3.095573  1369.639       103.4797 1581.288       
161.6903 1222.815       134.6716 85.62243 4.497980 75.40086 4.254228 10.22157 
6.191145 
1 1 1 -11 4   29 o 66.55296 3.653441  966.0913       101.7720 870.0908       
139.1649 1076.458       149.2149 62.96169 5.264708 70.14423 5.066890 -7.182537 
7.306882 
1 1 1 -11 4   30 o 26.20767 6.532977  162.4822       89.68941 155.5170       
127.7666 169.2489       125.9332 25.83907 9.256287 26.57626 9.221730 
-0.7371902     13.06595 
1 1 1 -11 4   31 o 86.80331 3.649482  1685.578       130.4907 1639.181       
203.1125 1718.188       170.2816 85.25729 5.674480 88.34933 4.590769 -3.092033 
7.298965 
1 1 1 -11 4   32 o 25.16563 6.571109  145.9107       98.67088 46.10998       
142.3791 238.1341       136.8674 20.70644 8.947012 29.62481 9.626467 -8.918375 
13.14222 
1 1 1 -11 4   33 o 30.87914 6.710147  278.3921       99.20374 203.6898       
147.1114 340.6930       134.3465 26.73879 9.893055 35.01948 9.068172 -8.280689 
13.42029 
1 1 1 -11 4   34 o 41.09897 6.000438  477.6766       101.8074 351.2801       
146.5111 595.6926       141.5707 33.67813 9.783691 48.51980 6.949850 -14.84166 
12.00088 
1 1 1 -11 5   1  o 42.55644 5.448914  479.3865       91.23736 114.5435       
144.1117 723.4452       117.8673 26.45167 9.790701 58.66121 4.785897 -32.20953 
10.89783 
1 1 1 -11 5   2  o 20.40118 5.994676  22.22537       82.98966 -11.13896      
137.8511 41.19174       103.9348 20.59477 8.849511 20.20760 8.088924 0.3871651 
11.98935 
1 1 1 -11 5   3  o 78.69318 3.569754  1316.974       108.1147 1264.768       
195.2237 1340.068       129.8440 77.52792 5.997849 79.85844 3.872773 -2.330528 
7.139508 
1 1 1 -11 5   4  o 117.8812 3.351566  2925.084       151.7888 2912.581       
277.5164 2930.421       181.3133 117.6646 5.617768 118.0978 3.656865 
-0.4331818     6.703132 
1 1 1 -11 5   5  o 152.8167 4.680198  4584.136       175.6933 5342.159       
592.4246 4511.038       183.9697 159.0863 8.869956 146.5470 2.990132 12.53926 
9.360395 
1 1 1 -11 5   6  o 169.6129 3.154410  6064.500       207.0058 6004.950       
373.2783 6090.947       248.7625 168.9613 5.262191 170.2645 3.480021 -1.303177 
6.308819 
1 1 1 -11 5   7  o 181.5831 2.691226  6787.715       156.4936 7149.950       
377.0085 6712.309       172.0128 184.3848 4.870203 178.7814 2.291709 5.603394 
5.382453 
1 1 1 -11 5   8  o 189.3047 2.404561  7399.867       153.9880 7750.700       
344.8600 7312.497       172.0975 192.0056 4.278091 186.6039 2.196721 5.401657 
4.809121 
1 1 1 -11 5   9  f 42.44264 3.876783  421.5823       60.07626 283.8574       
99.72691 500.0305       75.26575 36.10914 6.827065 48.77615 3.675454 -12.66701 
7.753566 
1 1 1 -11 5   10 o 277.9162 3.509447  16289.62       375.2659 16163.36       
683.6466 16344.08       448.9490 277.0054 5.878473 278.8270 3.835158 -1.821655 
7.018895 
1 1 1 -11 5   11 o 148.5824 2.056194  4599.937       117.4241 4734.917       
216.3108 4543.541       139.8189 150.0869 3.432862 147.0778 2.264330 3.009155 
4.112388 
1 1 1 -11 5   12 o 273.1340 4.093865  15691.96       446.7149 15845.77       
760.6359 15610.98       551.9254 273.9740 6.612848 272.2939 4.827958 1.680084 
8.187731 
1 1 1 -11 5   13 o 246.2672 3.846983  12805.03       361.2424 12744.68       
668.6989 12829.90       429.2707 245.6288 6.484439 246.9057 4.141153 -1.276917 
7.693965 
1 1 1 -11 5   14 o 182.5416 2.933173  7005.688       201.6217 7038.633       
382.0356 6992.969       237.3707 182.7179 4.980165 182.3653 3.100317 0.3526611 
5.866346 
1 1 1 -11 5   15 o 288.7595 4.816618  17648.71       536.2679 17719.80       
975.3071 17617.91       642.0321 288.6401 8.048331 288.8789 5.293732 
-0.2388306     9.633236 
1 1 1 -11 5   16 o 124.4496 2.370409  3290.708       118.6352 3149.484       
196.3768 3371.871       148.8722 122.2773 3.825299 126.6220 2.800437 -4.344673 
4.740818 
1 1 1 -11 5   17 o 139.3884 2.112348  4097.954       122.6638 4005.237       
184.1669 4171.880       164.4486 137.9461 3.179971 140.8307 2.781338 -2.884628 
4.224697 
1 1 1 -11 5   18 o 135.0656 2.344664  3867.549       131.3068 3655.221       
198.9598 4031.393       174.7740 131.7225 3.597711 138.4086 3.007701 -6.686066 
4.689327 
1 1 1 -11 5   19 o 92.59685 2.219283  1816.874       83.92157 1750.349       
134.0682 1859.735       107.6119 91.16359 3.502882 94.03011 2.725929 -2.866516 
4.438566 
1 1 1 -11 5   20 o 96.66260 2.126130  1970.708       84.56752 1943.989       
133.0942 1988.799       109.5170 96.08714 3.299247 97.23805 2.682665 -1.150909 
4.252260 
1 1 1 -11 5   21 o 93.11890 2.316379  1777.081       87.86783 2025.806       
146.4969 1637.324       109.8135 98.04251 3.559057 88.19528 2.965729 9.847229 
4.632757 
1 1 1 -11 5   22 o 98.76419 2.097831  2016.876       83.28846 2183.614       
142.1440 1929.700       102.7807 101.7720 3.326757 95.75638 2.556613 6.015633 
4.195662 
1 1 1 -11 5   23 o 62.97050 2.745862  829.9346       71.03265 879.0416       
114.1766 798.9265       90.72852 64.43312 4.220744 61.50787 3.513454 2.925251 
5.491724 
1 1 1 -11 5   24 o 98.43930 2.606050  2035.745       103.7299 2103.861       
172.8496 1997.407       129.6765 99.61771 4.132882 97.26089 3.175733 2.356812 
5.212101 
1 1 1 -11 5   25 o 64.68465 3.217365  899.4475       86.49372 779.4595       
124.9617 1009.802       119.8401 60.42445 4.925898 68.94486 4.140202 -8.520416 
6.434729 
1 1 1 -11 5   26 o 43.33076 6.717313  409.5852       122.1999 409.5852       
122.1999 0.000000       0.000000 43.33076 6.717313 ?        ?        ? ? 
1 1 1 -11 5   27 o 55.01779 3.875926  670.5401       86.96890 579.7789       
134.1039 736.4196       114.2526 51.48903 6.203655 58.54656 4.648210 -7.057537 
7.751851 
1 1 1 -11 5   28 o 32.69133 5.699115  257.7247       80.73122 161.2647       
117.1027 345.0962       111.4494 26.62856 8.904309 38.75410 7.115682 -12.12555 
11.39823 
1 1 1 -11 5   29 o 72.76816 3.569658  1148.943       108.1321 1220.064       
165.8123 1096.315       142.6352 74.56869 5.296405 70.96762 4.787266 3.601067 
7.139315 
1 1 1 -11 5   30 o 42.98601 5.427118  435.6555       95.92575 463.2928       
138.4569 410.1441       133.0251 44.70072 7.377701 41.27129 7.961404 3.429432 
10.85424 
1 1 1 -11 5   31 o 23.41819 6.297955  110.2109       92.81795 2.309761       
146.6037 182.3981       119.9117 19.84120 8.801606 26.99518 9.010475 -7.153982 
12.59591 
1 1 1 -11 5   32 o 59.86612 4.429041  836.3618       108.9579 794.7377       
169.0110 865.9644       142.5305 57.93057 6.949095 61.80167 5.493242 -3.871101 
8.858083 
1 1 1 -11 5   33 o 41.26530 6.142519  476.2495       103.3518 340.1071       
161.3392 570.9946       134.5928 33.72298 10.38168 48.80763 6.568331 -15.08465 
12.28504 
1 1 1 -11 5   34 o 26.59951 6.198035  186.9504       105.4586 -62.69420      
160.8544 375.1492       139.6627 17.49133 8.257203 35.70768 9.245603 -18.21635 
12.39607 
1 1 1 -11 6   1  o 224.0956 5.301725  10551.10       462.2629 10670.71       
829.2820 10497.17       556.7910 224.8488 8.784815 223.3424 5.938027 1.506485 
10.60345 
1 1 1 -11 6   2  o 94.93724 3.786024  1836.340       138.8861 2047.369       
258.0185 1750.252       164.7979 98.62271 6.231534 91.25177 4.301614 7.370941 
7.572047 
1 1 1 -11 6   3  o 165.6024 4.840170  5854.510       296.8398 5608.668       
570.5547 5945.750       347.5857 163.0527 8.334710 168.1521 4.923577 -5.099411 
9.680341 
1 1 1 -11 6   4  o 275.3844 6.587692  16006.21       691.3774 16055.42       
1283.105 15986.07       820.7100 275.3169 11.10070 275.4519 7.096839 
-0.1350098     13.17538 
1 1 1 -11 6   5  o 252.9570 5.236604  13155.74       434.7169 14026.10       
1016.998 12961.16       480.8610 257.6303 9.402523 248.2837 4.613095 9.346603 
10.47321 
1 1 1 -11 6   6  o 318.1947 4.297257  20905.42       398.7447 21891.81       
1075.811 20748.33       429.3235 322.1320 7.954686 314.2574 3.254020 7.874542 
8.594515 
1 1 1 -11 6   7  o 359.9407 5.454569  26057.83       453.2405 28896.50       
1616.809 25815.73       472.1729 369.3468 10.42667 350.5347 3.208419 18.81207 
10.90914 
1 1 1 -11 6   8  o 141.2811 2.371917  3823.400       105.2288 4772.423       
270.1925 3653.718       114.2495 150.6574 4.271731 131.9047 2.063075 18.75270 
4.743834 
1 1 1 -11 6   9  o 346.1450 5.765990  25383.59       750.1782 25156.68       
1420.035 25471.43       883.5300 344.5697 9.816191 347.7204 6.052186 -3.150696 
11.53198 
1 1 1 -11 6   10 o 156.0767 2.268925  5111.133       142.3404 5147.237       
239.0871 5091.311       177.1578 156.4782 3.639346 155.6751 2.710580 0.8031769 
4.537850 
1 1 1 -11 6   11 o 184.3555 2.361177  7167.079       174.3609 7066.598       
293.5339 7221.862       216.7425 183.3161 3.813982 185.3948 2.784631 -2.078644 
4.722355 
1 1 1 -11 6   12 o 101.1472 2.286386  2107.248       94.02428 2320.820       
156.6924 1987.078       117.5366 105.0563 3.552606 97.23824 2.879102 7.818008 
4.572771 
1 1 1 -11 6   13 f 77.34061 2.232212  1252.407       68.95626 1274.431       
117.7172 1240.902       85.08172 77.83781 3.602222 76.84341 2.637246 0.9944077 
4.464423 
1 1 1 -11 6   14 o 92.52501 2.252896  1815.669       85.96162 1712.959       
132.6702 1889.990       112.8555 90.23275 3.502115 94.81726 2.835022 -4.584511 
4.505792 
1 1 1 -11 6   15 f 156.5078 2.297930  5138.197       142.7502 5199.849       
246.5437 5107.104       175.0842 157.1558 3.736668 155.8599 2.675677 1.295975 
4.595860 
1 1 1 -11 6   16 o 125.3512 2.164481  3339.057       111.9831 3105.775       
171.5660 3512.213       147.8116 121.4688 3.364243 129.2335 2.724297 -7.764671 
4.328963 
1 1 1 -11 6   17 o 121.9026 2.408547  3117.416       119.8715 3179.034       
194.4617 3079.652       152.2349 122.8279 3.771014 120.9774 2.997306 1.850540 
4.817094 
1 1 1 -11 6   18 o 22.87524 4.897911  113.5608       54.49805 47.28339       
86.64878 156.9383       70.09910 19.08442 7.463343 26.66606 6.344812 -7.581642 
9.795822 
1 1 1 -11 6   19 o 134.5294 2.381930  3748.142       128.2115 4014.890       
220.6008 3612.078       157.5533 138.0277 3.806816 131.0312 2.864004 6.996490 
4.763861 
1 1 1 -11 6   20 o 93.61070 2.376316  1865.454       91.52932 1734.652       
141.5999 1959.330       119.9592 90.72825 3.717419 96.49316 2.961134 -5.764908 
4.752633 
1 1 1 -11 6   21 o 24.85611 5.248476  125.0629       58.67723 178.3923       
94.29319 91.36112       74.95902 28.41253 7.709310 21.29969 7.124081 7.112839 
10.49695 
1 1 1 -11 6   22 o 37.21535 4.118467  299.4588       61.23777 296.0017       
97.61343 301.7025       78.63723 36.70209 6.572707 37.72860 4.964534 -1.026512 
8.236934 
1 1 1 -11 6   23 o 139.3705 2.673975  4071.029       144.7970 4198.088       
261.5642 4014.886       173.8686 140.7467 4.426507 137.9944 3.001103 2.752319 
5.347951 
1 1 1 -11 6   24 o 27.75925 4.992218  181.1778       59.64347 113.8593       
95.21655 224.6488       76.51472 23.61792 8.029216 31.90059 5.934700 -8.282663 
9.984436 
1 1 1 -11 6   25 o 37.00920 4.207285  281.5686       61.33349 437.4055       
99.54266 186.1998       77.87128 45.21567 5.243742 28.80274 6.580894 16.41293 
8.414571 
1 1 1 -11 6   26 o 82.79211 3.073993  1460.963       106.2478 1475.356       
159.2176 1449.409       142.6569 83.09146 4.564107 82.49275 4.119060 0.5987091 
6.147985 
1 1 1 -11 6   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 6   28 o 49.37087 4.567924  536.0148       93.45728 563.0253       
145.5645 517.0729       121.8992 50.24030 6.901196 48.50144 5.986421 1.738857 
9.135849 
1 1 1 -11 6   29 o 53.15313 4.568930  608.4097       99.75716 758.3364       
163.0129 518.6478       126.1328 58.06973 6.686414 48.23653 6.228352 9.833202 
9.137860 
1 1 1 -11 6   30 o 50.59305 4.568746  579.2015       96.98935 600.0136       
140.0072 559.9984       134.4866 51.45448 6.481093 49.73162 6.441211 1.722866 
9.137492 
1 1 1 -11 6   31 o 78.00493 3.909306  1370.312       127.2654 1283.517       
186.0255 1446.675       174.4887 75.34541 5.880804 80.66444 5.152361 -5.319031 
7.818611 
1 1 1 -11 6   32 o 84.41908 3.858401  1596.654       135.2037 1717.120       
210.1142 1511.525       176.6294 86.75124 5.769005 82.08692 5.125192 4.664314 
7.716801 
1 1 1 -11 6   33 o 30.48473 6.316921  263.6059       96.20586 125.1409       
145.6882 370.6758       128.1115 23.39686 9.488873 37.57260 8.341180 -14.17573 
12.63384 
1 1 1 -11 6   34 o 41.84739 6.285792  496.3848       109.3692 395.0917       
154.4863 598.1648       154.8572 35.85466 9.929708 47.84012 7.710101 -11.98546 
12.57158 
1 1 1 -11 7   1  o 207.9591 6.460845  9163.538       533.2968 9056.482       
915.1745 9218.583       656.2294 206.8142 10.54010 209.1041 7.475052 -2.289917 
12.92169 
1 1 1 -11 7   2  o 292.7242 8.824394  17759.99       879.1778 18979.42       
1957.609 17451.90       983.9955 297.8572 15.65449 287.5912 8.149644 10.26602 
17.64879 
1 1 1 -11 7   3  o 280.1146 7.836515  16524.73       660.1057 16781.50       
1699.986 16479.14       716.3127 280.4541 14.43792 279.7751 6.098383 0.6790466 
15.67303 
1 1 1 -11 7   4  f 184.6110 5.364046  6973.971       242.1060 7454.175       
803.4537 6926.015       253.9077 187.6604 10.19787 181.5617 3.330986 6.098724 
10.72809 
1 1 1 -11 7   5  o 308.0189 8.474048  19975.14       794.8758 20411.94       
2017.753 19894.90       864.8079 308.7530 15.56604 307.2849 6.703467 1.468048 
16.94810 
1 1 1 -11 7   6  o 230.6696 3.498237  11095.27       248.3497 11337.24       
623.9927 11049.72       270.7148 231.9866 6.406748 229.3525 2.811445 2.634109 
6.996474 
1 1 1 -11 7   7  o 32.82722 4.814721  209.5819       60.55858 320.0639       
111.6507 163.5316       72.08286 38.33857 7.201731 27.31587 6.392277 11.02270 
9.629441 
1 1 1 -11 7   8  o 329.9956 4.188522  22938.12       511.3731 22935.80       
995.2892 22938.95       596.0658 329.7188 7.189964 330.2725 4.298756 
-0.5537720     8.377045 
1 1 1 -11 7   9  o 205.9493 3.332381  8981.118       255.6984 8801.378       
489.8095 9048.452       299.7906 204.4114 5.707463 207.4872 3.441500 -3.075745 
6.664762 
1 1 1 -11 7   10 o 53.31142 2.853431  609.8821       61.80126 544.5993       
97.77885 653.3113       79.75113 50.87299 4.578031 55.74984 3.407331 -4.876850 
5.706861 
1 1 1 -11 7   11 f 155.4487 2.741007  5064.763       173.5563 5154.812       
283.1432 5010.567       219.6605 156.5160 4.308922 154.3814 3.389049 2.134521 
5.482013 
1 1 1 -11 7   12 o 247.3198 4.216841  12759.80       404.0321 13289.78       
735.5845 12530.82       483.4960 250.7154 6.988317 243.9242 4.721272 6.791214 
8.433682 
1 1 1 -11 7   13 o 203.4337 3.169813  8731.311       261.2821 8661.761       
429.0956 8772.295       329.3873 202.6976 5.042273 204.1698 3.842699 -1.472183 
6.339625 
1 1 1 -11 7   14 o 232.8887 2.493056  11456.17       227.2109 11291.63       
400.7429 11534.12       275.8299 231.5495 4.122333 234.2280 2.804940 -2.678513 
4.986113 
1 1 1 -11 7   15 o 109.5541 2.185920  2528.237       98.30971 2508.177       
156.0344 2541.442       126.5975 109.1686 3.404424 109.9396 2.742788 
-0.7709808     4.371841 
1 1 1 -11 7   16 o 86.21053 2.313139  1577.280       82.89035 1451.363       
123.1728 1681.505       112.0626 83.02049 3.533870 89.40057 2.985667 -6.380074 
4.626278 
1 1 1 -11 7   17 o 120.3717 2.271104  3070.449       106.9130 2993.648       
188.2546 3107.012       129.8929 119.1906 3.762049 121.5528 2.545316 -2.362160 
4.542207 
1 1 1 -11 7   18 o 30.53558 4.602810  201.9430       56.42994 226.1444       
89.31160 185.8617       72.80293 32.01228 6.844889 29.05888 6.155562 2.953402 
9.205620 
1 1 1 -11 7   19 o 80.39565 2.295437  1338.848       75.59145 1457.454       
123.1942 1267.227       95.73142 83.18494 3.527496 77.60635 2.938179 5.578583 
4.590875 
1 1 1 -11 7   20 o 124.0479 2.249839  3258.030       112.1431 3174.427       
186.8789 3305.077       140.1899 122.7441 3.626441 125.3517 2.663837 -2.607605 
4.499678 
1 1 1 -11 7   21 o 139.5802 2.254398  4069.071       122.0190 4192.289       
221.2570 4015.218       146.2728 141.0002 3.737649 138.1601 2.521750 2.840027 
4.508796 
1 1 1 -11 7   22 o 176.1732 3.482529  6575.088       246.5009 6590.503       
413.6269 6566.598       306.9667 176.0867 5.595042 176.2596 4.148198 
-0.1729584     6.965058 
1 1 1 -11 7   23 o 68.72354 2.632095  993.8986       74.32961 1019.070       
118.5583 977.5972       95.40896 69.39174 4.069541 68.05535 3.339242 1.336388 
5.264190 
1 1 1 -11 7   24 o 48.64481 3.318407  488.5715       66.45786 578.2554       
107.6508 433.3429       84.47770 52.11651 4.919976 45.17310 4.454339 6.943405 
6.636814 
1 1 1 -11 7   25 o 35.56819 4.392148  267.7945       63.27372 337.5611       
100.4814 221.9522       81.45076 39.59594 6.044443 31.54044 6.374053 8.055492 
8.784295 
1 1 1 -11 7   26 o 40.37848 3.800873  347.0447       62.94277 368.2836       
101.6287 333.8281       80.16937 41.27617 5.864594 39.48080 4.836639 1.795368 
7.601746 
1 1 1 -11 7   27 o 61.48029 3.099686  744.5203       74.19705 990.2648       
139.8850 648.3168       87.52351 67.80888 4.913668 55.15170 3.779957 12.65718 
6.199371 
1 1 1 -11 7   28 o 148.2644 5.979044  4830.622       372.1753 0.000000       
0.000000 4830.622       372.1753 ?        ?        148.2644 5.979044 ? ? 
1 1 1 -11 7   29 o 35.46613 6.305896  304.7095       92.84741 328.4685       
144.1777 287.8751       121.3623 36.42599 9.374676 34.50626 8.436396 1.919731 
12.61179 
1 1 1 -11 7   30 o 57.83537 4.439049  767.1308       105.3405 663.7581       
158.8268 848.3157       140.7533 53.78526 7.033663 61.88548 5.417399 -8.100220 
8.878098 
1 1 1 -11 7   31 o 54.07758 4.457005  665.6880       100.1365 682.0930       
153.4910 653.5320       132.1269 54.35328 6.726329 53.80188 5.849450 0.5514069 
8.914010 
1 1 1 -11 7   32 o 57.75336 4.475178  783.5156       105.8354 613.1265       
151.6188 945.4335       147.8018 50.82820 7.105088 64.67851 5.443031 -13.85032 
8.950356 
1 1 1 -11 7   33 o 23.79991 6.434433  135.8426       94.30618 59.56480       
143.1199 194.3766       125.3733 20.84930 8.989007 26.75051 9.208986 -5.901207 
12.86887 
1 1 1 -11 7   34 o 56.29293 4.809114  791.6961       110.3225 594.6553       
153.6104 1001.602       158.5457 47.84124 7.647848 64.74462 5.832731 -16.90339 
9.618229 
1 1 1 -11 8   1  o 70.60192 3.862144  1137.114       104.9850 768.9855       
168.1692 1372.206       134.3896 60.40852 6.630851 80.79532 3.961872 -20.38680 
7.724288 
1 1 1 -11 8   2  o 162.2514 4.015689  5581.766       265.2040 5373.828       
427.2458 5712.105       338.2596 159.7165 6.371610 164.7864 4.889337 -5.069901 
8.031378 
1 1 1 -11 8   3  o 28.38450 6.248273  170.9946       80.15331 140.3191       
142.0728 185.3168       97.07806 27.63845 9.774728 29.13055 7.785779 -1.492102 
12.49655 
1 1 1 -11 8   4  o 117.2723 3.608030  2857.529       131.7279 2947.863       
327.0470 2840.036       143.9182 118.2743 6.586290 116.2704 2.948274 2.003899 
7.216061 
1 1 1 -11 8   5  o 222.8888 4.572910  10283.17       345.2485 10784.76       
771.6044 10157.61       386.0490 225.9797 8.132916 219.7980 4.183501 6.181732 
9.145820 
1 1 1 -11 8   6  o 199.2714 3.381189  8138.421       207.3254 8673.989       
526.4298 8040.103       225.5543 202.9062 6.179683 195.6366 2.746136 7.269562 
6.762377 
1 1 1 -11 8   7  o 196.5036 2.840750  8163.664       178.0783 8049.868       
424.0626 8188.026       196.2178 195.5637 5.164908 197.4435 2.367100 -1.879776 
5.681499 
1 1 1 -11 8   8  o 159.5010 3.001397  5303.752       187.4049 5480.466       
334.2213 5222.712       226.3332 161.3678 4.933311 157.6343 3.419941 3.733459 
6.002795 
1 1 1 -11 8   9  o 186.5450 3.058536  7127.959       203.1283 7686.811       
426.5617 6964.064       231.0015 191.0458 5.318211 182.0443 3.022449 9.001495 
6.117071 
1 1 1 -11 8   10 o 149.6481 2.726870  4694.935       161.3499 4754.566       
280.8865 4665.568       197.1160 150.3078 4.451129 148.9883 3.151306 1.319519 
5.453740 
1 1 1 -11 8   11 o 162.9383 2.759669  5593.779       182.4330 5551.330       
298.7125 5619.032       230.3919 162.3988 4.381186 163.4779 3.356829 -1.079071 
5.519338 
1 1 1 -11 8   12 o 87.07456 2.117114  1605.824       75.62252 1535.362       
119.0753 1653.454       97.90018 85.44743 3.319279 88.70169 2.628891 -3.254257 
4.234228 
1 1 1 -11 8   13 o 109.4354 2.381453  2541.122       107.0475 2407.050       
167.4540 2633.775       139.2059 106.9477 3.729454 111.9231 2.962506 -4.975403 
4.762905 
1 1 1 -11 8   14 o 139.2123 2.270403  4116.507       129.6632 3879.203       
203.2519 4279.359       168.3754 135.7618 3.565974 142.6629 2.811181 -6.901077 
4.540805 
1 1 1 -11 8   15 o 145.1519 2.744420  4442.683       163.4626 4417.855       
259.8998 4458.932       210.2547 144.7614 4.276361 145.5423 3.440944 
-0.7809448     5.488839 
1 1 1 -11 8   16 o 18.11234 4.974409  44.36901       53.90669 29.66107       
84.96731 54.27746       69.73953 17.95549 7.261114 18.26918 6.801118 
-0.3136902     9.948818 
1 1 1 -11 8   17 o 58.84624 2.526432  724.4255       62.06519 775.3135       
93.95692 685.0299       82.66938 60.66022 3.689316 57.03226 3.452591 3.627960 
5.052864 
1 1 1 -11 8   18 o 115.1261 2.120975  2817.972       100.0136 2649.273       
157.3665 2932.286       129.5407 112.1718 3.341563 118.0804 2.613061 -5.908585 
4.241949 
1 1 1 -11 8   19 o 193.7478 2.484781  7927.375       192.0073 7838.492       
326.3957 7974.409       237.4366 192.8127 4.032087 194.6829 2.904964 -1.870285 
4.969562 
1 1 1 -11 8   20 o 184.7226 2.429977  7212.413       182.1053 7088.647       
297.4337 7286.627       230.3206 183.3676 3.863569 186.0776 2.948218 -2.710007 
4.859954 
1 1 1 -11 8   21 o 121.0063 2.325625  3082.954       115.2452 3093.698       
184.6921 3076.103       147.4787 121.1308 3.631740 120.8818 2.905959 0.2489929 
4.651250 
1 1 1 -11 8   22 o 81.80852 2.495679  1450.910       82.88818 1229.830       
128.9112 1606.733       108.2264 76.28649 4.024982 87.33054 2.951809 -11.04404 
4.991358 
1 1 1 -11 8   23 o 70.23320 2.745097  1053.965       78.66789 995.8026       
125.1969 1091.912       101.1249 68.54784 4.350316 71.91857 3.349178 -3.370735 
5.490194 
1 1 1 -11 8   24 o 34.67222 4.451118  250.0512       62.16102 356.5487       
99.74677 182.4297       79.48250 40.80268 5.822792 28.54176 6.733864 12.26091 
8.902237 
1 1 1 -11 8   25 o 177.3772 2.571109  6667.577       183.5660 6664.028       
306.5619 6669.560       229.1978 177.1038 4.122982 177.6507 3.073014 
-0.5468903     5.142217 
1 1 1 -11 8   26 o 27.93525 5.196340  175.0060       60.75134 192.6745       
96.74415 163.5025       78.06181 29.02181 7.779480 26.84868 6.891116 2.173132 
10.39268 
1 1 1 -11 8   27 o 17.40197 5.183213  -3.608548      69.36764 -84.30889      
102.2704 65.15269       94.40260 14.61412 6.814696 20.18983 7.811704 -5.575709 
10.36643 
1 1 1 -11 8   28 f 96.75447 2.589589  2000.114       105.1321 1916.133       
148.1654 2085.269       149.1983 94.67853 3.727490 98.83042 3.595790 -4.151894 
5.179179 
1 1 1 -11 8   29 o 64.47329 4.179613  906.8344       109.7875 980.6093       
180.8902 863.8099       138.1398 66.15392 6.512992 62.79267 5.239997 3.361248 
8.359225 
1 1 1 -11 8   30 o 39.29946 7.044118  348.1542       112.8245 238.4278       
135.8961 591.5589       202.4025 30.73882 9.541180 47.86010 10.36553 -17.12129 
14.08824 
1 1 1 -11 8   31 o 142.7053 4.459403  4664.742       263.0022 4541.722       
404.7019 4754.681       346.0334 139.9643 6.887141 145.4464 5.666780 -5.482025 
8.918806 
1 1 1 -11 8   32 o 64.49129 4.292975  957.3993       115.4623 1084.895       
164.5193 833.6492       162.0846 69.08596 5.672156 59.89662 6.445556 9.189339 
8.585951 
1 1 1 -11 8   33 o 47.28871 5.377826  568.7309       100.5103 438.7623       
146.9753 682.9093       137.7581 40.54911 8.876960 54.02831 6.073190 -13.47920 
10.75565 
1 1 1 -11 8   34 o 26.83791 6.803383  218.9762       98.33879 194.2327       
148.1237 238.4775       131.4998 25.51510 9.803542 28.16072 9.435817 -2.645618 
13.60677 
1 1 1 -11 9   1  o 293.3727 8.682930  18061.24       917.6919 18895.40       
1876.206 17798.91       1052.138 296.6476 15.06471 290.0978 8.638721 6.549744 
17.36586 
1 1 1 -11 9   2  f 176.0918 4.642688  6555.241       331.1139 6467.763       
543.5253 6606.864       417.5359 175.0538 7.395528 177.1298 5.614657 -2.076004 
9.285377 
1 1 1 -11 9   3  o 93.69617 3.478819  1827.157       119.6818 1888.983       
237.6662 1806.153       138.5280 94.69263 5.978226 92.69970 3.559429 1.992935 
6.957638 
1 1 1 -11 9   4  o 209.6571 4.772476  9017.402       281.4892 9614.780       
795.5125 8931.901       300.9603 213.1649 8.888989 206.1493 3.477350 7.015564 
9.544951 
1 1 1 -11 9   5  o 126.2773 4.090426  3319.973       164.4532 3419.194       
396.6860 3299.381       180.7141 127.2619 7.424542 125.2927 3.435478 1.969147 
8.180852 
1 1 1 -11 9   6  o 215.7218 3.560201  9661.297       241.6512 9999.438       
592.4703 9593.818       264.6667 217.7618 6.480462 213.6818 2.950210 4.080048 
7.120402 
1 1 1 -11 9   7  o 226.8162 3.998924  10703.74       301.4749 11060.38       
688.4846 10619.13       335.3326 228.8772 7.164945 224.7552 3.553751 4.121933 
7.997849 
1 1 1 -11 9   8  f 212.0052 3.978909  9278.878       308.9887 9866.247       
619.8453 9084.656       356.4322 216.1880 6.829246 207.8225 4.085126 8.365555 
7.957817 
1 1 1 -11 9   9  f 164.6840 2.904901  5721.376       191.6684 5652.766       
322.6470 5758.792       238.2665 163.8641 4.689915 165.5039 3.429065 -1.639862 
5.809802 
1 1 1 -11 9   10 o 143.6680 2.337857  4268.643       130.0347 4522.094       
238.0652 4160.873       155.2384 146.6166 3.867532 140.7195 2.627640 5.897095 
4.675714 
1 1 1 -11 9   11 o 253.1510 3.367323  13474.12       335.1438 13576.66       
589.1000 13425.05       407.5186 253.7045 5.530724 252.5974 3.842727 1.107071 
6.734646 
1 1 1 -11 9   12 f 184.1880 2.730884  7124.567       194.3402 7180.340       
352.8195 7100.275       232.8476 184.6102 4.552166 183.7657 3.018063 0.8444824 
5.461769 
1 1 1 -11 9   13 o 153.1677 2.554901  4954.245       158.9856 4869.946       
258.7954 5005.344       201.4901 152.0667 4.053626 154.2687 3.110978 -2.202026 
5.109801 
1 1 1 -11 9   14 o 19.75692 4.691105  78.27068       45.17810 63.14509       
76.05859 86.51683       56.15872 19.35503 7.120955 20.15880 6.108835 
-0.8037720     9.382210 
1 1 1 -11 9   15 o 51.61439 2.918623  590.9236       59.97235 410.6898       
89.84764 735.7530       80.54097 44.10313 4.852419 59.12565 3.244606 -15.02251 
5.837246 
1 1 1 -11 9   16 o 155.5806 3.042094  5116.712       191.0925 5068.259       
316.2912 5144.566       239.8074 154.8923 4.863829 156.2688 3.655201 -1.376495 
6.084187 
1 1 1 -11 9   17 o 150.8609 2.466330  4777.745       145.0078 4835.946       
259.4167 4751.295       174.8801 151.4342 4.080329 150.2876 2.771650 1.146591 
4.932659 
1 1 1 -11 9   18 o 189.1999 3.255691  7493.357       236.2130 7714.627       
436.5959 7401.784       280.8712 190.9435 5.446229 187.4563 3.568850 3.487198 
6.511383 
1 1 1 -11 9   19 o 281.1802 5.082377  16754.60       552.1268 17030.63       
1003.019 16634.59       661.3419 282.0705 8.469790 280.2900 5.620042 1.780518 
10.16475 
1 1 1 -11 9   20 o 200.2283 3.618253  8412.746       283.4875 8671.637       
505.3502 8293.865       342.4447 202.1841 5.953422 198.2726 4.113853 3.911423 
7.236506 
1 1 1 -11 9   21 o 202.4460 2.623716  8672.980       191.7101 8590.162       
386.3383 8700.036       220.8146 201.5514 4.565654 203.3407 2.586571 -1.789322 
5.247433 
1 1 1 -11 9   22 o 58.55201 2.925918  718.1877       70.36952 757.2003       
113.0529 693.5124       89.91058 59.79832 4.503122 57.30571 3.737094 2.492611 
5.851835 
1 1 1 -11 9   23 o 50.33789 3.178061  553.4355       63.03048 488.3691       
106.2240 588.7945       78.30578 47.88622 5.283641 52.78957 3.533188 -4.903347 
6.356122 
1 1 1 -11 9   24 o 87.78128 2.605503  1592.351       93.70325 1804.230       
153.5665 1466.671       118.2730 92.26610 3.964381 83.29646 3.382050 8.969635 
5.211006 
1 1 1 -11 9   25 o 79.76922 2.618478  1344.688       85.89445 1370.994       
136.4990 1327.443       110.5195 80.33607 4.047064 79.20236 3.323699 1.133713 
5.236955 
1 1 1 -11 9   26 o 90.56310 2.772198  1757.017       104.4408 1496.449       
148.3744 2012.912       147.0379 83.76584 4.219034 97.36035 3.597231 -13.59451 
5.544395 
1 1 1 -11 9   27 o 108.0084 3.018306  2461.824       135.0346 2715.864       
212.5622 2289.931       174.8498 112.4930 4.500716 103.5237 4.022965 8.969269 
6.036613 
1 1 1 -11 9   28 o 67.97908 3.057801  986.8589       86.62988 1053.968       
132.2732 936.4521       114.6370 69.91656 4.506227 66.04160 4.134552 3.874962 
6.115602 
1 1 1 -11 9   29 o 15.33473 4.879328  -55.88389      66.57278 23.27514       
104.0115 -110.8170      86.64593 18.41590 7.791162 12.25356 5.876152 6.162340 
9.758657 
1 1 1 -11 9   30 o 92.36525 3.558960  1863.084       137.5104 1694.793       
185.6288 2067.742       204.7059 87.77267 5.037407 96.95782 5.028849 -9.185143 
7.117920 
1 1 1 -11 9   31 o 80.67525 6.303049  1486.122       213.4862 1486.122       
213.4862 0.000000       0.000000 80.67525 6.303049 ?        ?        ? ? 
1 1 1 -11 9   32 o 24.56975 6.400860  137.1364       93.36612 43.69096       
138.5164 214.9415       126.3939 20.55442 8.852346 28.58508 9.247703 -8.030663 
12.80172 
1 1 1 -11 9   33 o 36.90485 6.274586  368.2562       97.11642 297.9866       
137.8895 437.4234       136.8036 32.64305 9.494194 41.16665 8.206217 -8.523602 
12.54917 
1 1 1 -11 9   34 o 19.25734 6.010150  42.85880       95.04682 38.68936       
141.6205 46.27603       128.2107 19.39058 8.620543 19.12409 8.376985 0.2664852 
12.02030 
1 1 1 -11 10  1  o 186.6003 5.014530  7319.081       353.9308 7430.728       
667.1767 7275.356       417.5234 187.3483 8.482273 185.8523 5.350987 1.495972 
10.02906 
1 1 1 -11 10  2  o 143.5007 4.652757  4346.091       261.1057 4340.035       
462.4973 4348.925       316.3404 143.2960 7.687696 143.7054 5.243276 
-0.4093781     9.305514 
1 1 1 -11 10  3  o 138.9881 3.762709  4002.141       191.0931 4203.584       
383.6900 3935.693       220.3682 141.1669 6.473940 136.8094 3.836667 4.357513 
7.525418 
1 1 1 -11 10  4  o 211.1362 4.442363  9366.318       332.5492 9466.104       
691.2625 9336.270       379.3282 211.6060 7.781011 210.6664 4.288850 0.9396210 
8.884727 
1 1 1 -11 10  5  o 42.87991 4.965149  408.9444       70.91414 371.9759       
150.2510 419.5395       80.43673 41.10343 8.955657 44.65640 4.290340 -3.552967 
9.930298 
1 1 1 -11 10  6  f 111.7479 3.689478  2537.584       126.8742 2768.544       
323.8321 2495.703       137.8985 114.5205 6.735309 108.9752 3.014068 5.545372 
7.378956 
1 1 1 -11 10  7  o 271.7771 5.255457  15040.44       449.4814 16503.58       
1116.193 14757.26       491.0563 278.7480 9.537806 264.8063 4.416965 13.94165 
10.51091 
1 1 1 -11 10  8  o 129.8105 2.573746  3505.259       125.9262 3631.076       
240.0779 3457.505       147.9055 131.3492 4.353574 128.2719 2.746464 3.077255 
5.147491 
1 1 1 -11 10  9  o 110.3686 2.380186  2530.824       102.4885 2643.620       
184.4183 2480.420       123.2786 112.0938 3.918711 108.6434 2.702747 3.450447 
4.760372 
1 1 1 -11 10  10 o 104.3388 2.068626  2303.225       89.48808 2186.180       
135.8275 2392.996       118.9548 101.9688 3.172791 106.7089 2.655232 -4.740074 
4.137253 
1 1 1 -11 10  11 o 228.5262 3.564081  10905.02       310.4938 11268.16       
580.3246 10759.38       367.5222 230.9561 5.984981 226.0964 3.871783 4.859665 
7.128162 
1 1 1 -11 10  12 o 252.2782 3.475703  13426.96       345.2202 13411.63       
603.7796 13434.41       420.7861 251.9649 5.707678 252.5914 3.967929 
-0.6265259     6.951406 
1 1 1 -11 10  13 o 148.3522 2.515298  4664.136       151.0802 4510.977       
246.9152 4755.792       191.0091 146.3361 4.018995 150.3683 3.025652 -4.032211 
5.030595 
1 1 1 -11 10  14 f 100.8692 2.077799  2159.788       86.88863 1996.530       
130.7448 2288.924       116.2811 97.40487 3.197164 104.3335 2.654645 -6.928619 
4.155599 
1 1 1 -11 10  15 o 179.7238 3.043204  6821.395       217.1142 6788.442       
373.2245 6838.250       266.9266 179.2531 4.959346 180.1944 3.528349 
-0.9412994     6.086408 
1 1 1 -11 10  16 o 74.95512 2.311652  1188.666       71.70438 1146.473       
110.1038 1219.739       94.48848 73.77442 3.554820 76.13582 2.956044 -2.361397 
4.623304 
1 1 1 -11 10  17 o 150.1025 3.041695  4803.415       187.9952 4472.262       
290.2572 5042.720       246.7426 145.5164 4.751076 154.6886 3.799329 -9.172165 
6.083389 
1 1 1 -11 10  18 o 182.4375 3.172340  7013.070       235.0123 7070.747       
385.4208 6978.934       296.5119 182.9096 5.019030 181.9654 3.881275 0.9441986 
6.344680 
1 1 1 -11 10  19 o 33.94773 4.429982  235.9891       60.35004 391.8460       
96.21851 134.9095       77.48677 43.03405 5.325587 24.86143 7.080755 18.17262 
8.859964 
1 1 1 -11 10  20 o 96.19809 2.262910  1915.336       89.47935 2108.387       
144.5958 1795.530       113.9096 100.0349 3.442906 92.36126 2.937592 7.673668 
4.525820 
1 1 1 -11 10  21 o 134.6891 2.852680  3829.899       156.9623 3837.902       
253.0954 3824.897       200.0878 134.7093 4.475153 134.6691 3.538945 
0.4020691E-01  5.705359 
1 1 1 -11 10  22 f 84.79569 2.211022  1500.057       76.65730 1585.337       
124.8430 1448.444       97.12271 86.67149 3.430907 82.91989 2.789865 3.751602 
4.422043 
1 1 1 -11 10  23 o 51.05829 3.401474  579.2762       69.32536 450.2176       
108.5368 668.2117       90.09922 45.91838 5.630040 56.19820 3.818736 -10.27982 
6.802948 
1 1 1 -11 10  24 f 119.5541 2.188116  3051.257       108.5799 2715.688       
160.1117 3336.984       147.7434 113.3365 3.364915 125.7717 2.797992 -12.43513 
4.376233 
1 1 1 -11 10  25 o 21.48342 5.058066  89.50519       58.67400 15.95528       
87.94173 148.5122       78.76909 17.26504 7.227094 25.70179 7.078506 -8.436745 
10.11613 
1 1 1 -11 10  26 o 58.16442 3.334430  726.1046       81.24702 677.8199       
115.6064 773.2277       114.2077 56.20366 4.899348 60.12519 4.524388 -3.921535 
6.668860 
1 1 1 -11 10  27 o 69.87187 3.072307  1029.490       88.82158 812.2498       
118.2895 1310.308       134.4894 61.47685 4.583063 78.26690 4.092899 -16.79005 
6.144615 
1 1 1 -11 10  28 o 40.30855 4.712746  368.6505       77.28803 336.1753       
112.9475 397.2468       105.9877 38.12780 7.316990 42.48930 5.941512 -4.361492 
9.425492 
1 1 1 -11 10  29 o 71.84048 3.107629  1096.629       92.52671 1377.488       
140.9547 883.9750       122.6513 79.86681 4.203724 63.81416 4.578006 16.05265 
6.215258 
1 1 1 -11 10  30 o 21.66085 5.749897  94.92489       70.73515 83.40298       
108.4219 103.4632       93.33421 21.37495 8.350702 21.94676 7.906392 
-0.5718136     11.49979 
1 1 1 -11 10  31 o 27.80720 6.459555  176.9891       94.52157 305.8200       
140.0370 69.17601       128.1057 34.24699 9.440834 21.36740 8.818960 12.87959 
12.91911 
1 1 1 -11 10  32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 10  33 o 22.86033 6.440782  115.1498       93.75977 152.8011       
135.3226 80.38690       130.0285 24.55086 9.388486 21.16980 8.819921 3.381060 
12.88156 
1 1 1 -11 10  34 o 19.86027 6.119130  59.73942       95.86292 48.12679       
141.2323 69.66022       130.5395 19.67766 8.695342 20.04288 8.611969 
-0.3652153     12.23826 
1 1 1 -11 11  1  o 102.7176 3.591508  2126.437       140.5716 2453.228       
269.4643 2004.253       164.7683 107.8341 5.952043 97.60104 4.021057 10.23311 
7.183015 
1 1 1 -11 11  2  f 184.7912 4.481656  7132.737       320.9151 7404.691       
583.5396 7014.828       384.2372 187.0980 7.428862 182.4845 5.015273 4.613495 
8.963311 
1 1 1 -11 11  3  o 124.3202 3.226728  3202.889       144.1140 3352.285       
296.5336 3156.691       164.8975 126.0985 5.601250 122.5419 3.205166 3.556610 
6.453456 
1 1 1 -11 11  4  o 189.1978 4.055687  7559.156       289.2946 7523.630       
545.6615 7573.044       341.1935 188.6987 6.887722 189.6969 4.284121 
-0.9981995     8.111375 
1 1 1 -11 11  5  o 183.3923 3.754080  7087.008       205.2701 7089.571       
533.0165 7086.563       222.4256 183.1564 6.931698 183.6281 2.885139 
-0.4716797     7.508160 
1 1 1 -11 11  6  o 344.9414 6.613171  23975.54       412.6867 26806.02       
1910.109 23836.95       422.6695 353.1236 12.88405 336.7593 2.989527 16.36426 
13.22634 
1 1 1 -11 11  7  o 186.4749 3.450096  7105.417       223.6423 7722.315       
486.5624 6940.178       251.8193 191.2712 6.059126 181.6787 3.301460 9.592514 
6.900192 
1 1 1 -11 11  8  f 233.5349 4.660034  11307.90       376.3882 11919.62       
818.1517 11143.67       423.9109 237.0184 8.221913 230.0513 4.389054 6.967056 
9.320067 
1 1 1 -11 11  9  o 59.40065 2.614131  729.9301       63.62595 798.1231       
103.6792 688.7333       80.58467 61.57649 4.010493 57.22481 3.354202 4.351681 
5.228262 
1 1 1 -11 11  10 o 184.9698 2.773307  7181.405       199.0288 7257.072       
358.8613 7147.791       239.1860 185.5729 4.606097 184.3666 3.090114 1.206314 
5.546615 
1 1 1 -11 11  11 o 97.13586 2.342169  1949.794       91.79034 2109.959       
155.3436 1863.875       113.7772 100.1205 3.695655 94.15124 2.878395 5.969246 
4.684338 
1 1 1 -11 11  12 f 79.30518 2.204645  1330.402       72.90266 1245.905       
107.4603 1402.453       99.23062 76.94762 3.326395 81.66274 2.894295 -4.715118 
4.409291 
1 1 1 -11 11  13 o 280.9264 3.622848  15856.68       300.4121 17842.91       
811.9794 15541.69       323.3569 290.0149 6.668770 271.8378 2.833305 18.17709 
7.245696 
1 1 1 -11 11  14 o 322.4351 5.209304  22143.67       660.7380 22084.63       
1155.781 22172.33       805.3105 321.3326 8.567256 323.5375 5.928704 -2.204926 
10.41861 
1 1 1 -11 11  15 o 101.9258 2.482869  2199.485       102.4089 2144.763       
167.9382 2231.881       129.2137 100.8643 3.965820 102.9873 2.988450 -2.123009 
4.965739 
1 1 1 -11 11  16 o 197.5609 3.226537  8303.581       256.1590 8015.198       
425.5841 8467.410       320.7714 194.6807 5.206951 200.4411 3.811800 -5.760330 
6.453074 
1 1 1 -11 11  17 o 203.0102 3.409713  8565.599       268.8388 9073.926       
489.1146 8345.550       321.8089 207.0278 5.627338 198.9926 3.851964 8.035233 
6.819426 
1 1 1 -11 11  18 o 210.3342 2.472893  9293.389       197.6831 9375.719       
369.2584 9260.313       234.0471 210.8373 4.171614 209.8311 2.656774 1.006180 
4.945787 
1 1 1 -11 11  19 o 66.89928 2.532070  908.0291       68.06458 1062.199       
117.9085 830.9780       83.35568 70.97253 3.957089 62.82602 3.160216 8.146507 
5.064140 
1 1 1 -11 11  20 o 128.2474 2.300605  3476.132       115.6395 3432.809       
203.4408 3496.811       140.5542 127.5734 3.798383 128.9214 2.596809 -1.347923 
4.601210 
1 1 1 -11 11  21 o 85.16342 2.198382  1519.347       77.78696 1589.335       
120.0370 1468.680       102.1337 86.82411 3.293030 83.50273 2.913328 3.321381 
4.396763 
1 1 1 -11 11  22 o 87.63400 2.644589  1617.189       94.17806 1646.112       
154.5122 1600.092       118.7959 88.18306 4.173483 87.08495 3.249223 1.098114 
5.289179 
1 1 1 -11 11  23 o 123.7221 2.278616  3202.576       112.1242 3323.875       
193.9510 3141.688       137.4135 125.3547 3.685297 122.0895 2.680848 3.265129 
4.557231 
1 1 1 -11 11  24 o 148.3100 2.708720  4635.291       158.8992 4742.074       
276.8823 4582.852       194.0316 149.3423 4.416044 147.2777 3.138027 2.064651 
5.417440 
1 1 1 -11 11  25 o 61.59001 3.288823  791.3578       84.06063 677.3224       
109.5952 954.3123       131.0101 56.32766 4.634371 66.85237 4.667765 -10.52472 
6.577646 
1 1 1 -11 11  26 o 37.92054 5.240952  326.6126       80.35117 305.7549       
111.2029 349.3993       116.2313 36.59613 7.496016 39.24495 7.326669 -2.648823 
10.48190 
1 1 1 -11 11  27 o 64.08256 3.313312  884.7375       89.07607 920.6863       
125.7574 848.5414       126.1889 65.42616 4.578288 62.73896 4.790765 2.687199 
6.626624 
1 1 1 -11 11  28 o 46.03213 4.115877  473.9989       77.79416 376.1185       
112.3448 564.1688       107.8292 41.12387 6.506991 50.94040 5.041909 -9.816528 
8.231754 
1 1 1 -11 11  29 o 34.36776 5.127994  278.3997       73.66052 178.6280       
103.2803 381.6919       105.0866 27.33329 8.284629 41.40223 6.045677 -14.06893 
10.25599 
1 1 1 -11 11  30 o 86.70186 3.095056  1620.575       111.1514 1735.525       
174.1417 1541.548       144.3895 89.06430 4.657149 84.33942 4.077800 4.724884 
6.190113 
1 1 1 -11 11  31 o 32.45798 5.995833  257.6013       82.11847 328.4579       
129.0999 209.4505       106.4235 36.02764 8.634755 28.88832 8.321121 7.139317 
11.99167 
1 1 1 -11 11  32 o 51.77369 4.194992  614.5868       89.34399 614.1119       
140.4521 614.9097       115.7917 51.30107 6.521130 52.24632 5.278891 
-0.9452438     8.389984 
1 1 1 -11 11  33 o 44.58143 7.327967  488.2655       137.1565 0.000000       
0.000000 488.2655       137.1565 ?        ?        44.58143 7.327967 ? ? 
1 1 1 -11 11  34 o 30.74894 6.769312  288.3557       97.22279 267.0599       
141.6469 307.3250       133.6858 29.35499 9.793103 32.14288 9.348235 -2.787897 
13.53862 
1 1 1 -11 12  1  o 112.9087 4.123116  2666.350       178.3838 2754.124       
330.4063 2630.240       211.9241 114.0765 6.898794 111.7409 4.517410 2.335625 
8.246233 
1 1 1 -11 12  2  o 173.1648 4.841971  6396.548       331.6877 6184.905       
569.6511 6505.108       407.9803 170.7448 7.946620 175.5848 5.534437 -4.839935 
9.683943 
1 1 1 -11 12  3  o 159.7026 4.116415  5273.833       229.0477 5583.277       
493.4654 5188.857       258.5917 162.3840 7.238265 157.0213 3.922628 5.362747 
8.232830 
1 1 1 -11 12  4  o 323.9775 6.435987  22129.22       676.7923 22663.08       
1586.555 22010.47       748.2916 324.9581 11.62918 322.9969 5.518151 1.961182 
12.87197 
1 1 1 -11 12  5  o 241.5783 5.653486  11895.16       350.4090 13013.70       
1105.606 11770.25       369.4559 246.6384 10.67728 236.5182 3.720653 10.12021 
11.30697 
1 1 1 -11 12  6  o 190.9913 5.470745  7536.969       292.4487 8007.865       
829.2754 7470.088       312.5276 193.5928 10.20307 188.3898 3.951410 5.203003 
10.94149 
1 1 1 -11 12  7  f 93.51405 2.317048  1815.352       83.55606 1899.384       
153.6036 1780.037       99.57779 94.99712 3.851342 92.03097 2.577209 2.966156 
4.634095 
1 1 1 -11 12  8  o 40.64213 3.742270  343.9549       59.84523 361.6385       
106.0836 335.7001       72.47957 41.36340 6.108760 39.92086 4.324508 1.442532 
7.484539 
1 1 1 -11 12  9  o 96.35838 2.213206  1945.852       86.40553 1979.269       
142.8196 1926.559       108.5187 96.98495 3.507556 95.73182 2.700034 1.253136 
4.426413 
1 1 1 -11 12  10 o 144.9906 2.148499  4459.716       128.7126 4185.734       
197.0549 4663.592       169.9847 141.0452 3.327745 148.9361 2.718511 -7.890900 
4.296998 
1 1 1 -11 12  11 o 71.04376 2.311273  1020.515       67.12373 1246.889       
111.5631 892.0703       84.03619 76.96758 3.452502 65.11993 3.073785 11.84765 
4.622545 
1 1 1 -11 12  12 o 17.12279 4.892313  25.91892       53.50237 38.46930       
84.25851 17.43992       69.25608 18.40672 7.312015 15.83885 6.501795 2.567866 
9.784626 
1 1 1 -11 12  13 o 228.9924 4.122560  11098.61       377.4753 11122.36       
640.0527 11085.94       467.4147 228.8760 6.660955 229.1088 4.859390 
-0.2327423     8.245119 
1 1 1 -11 12  14 f 47.36281 3.278051  497.5037       61.93634 352.4208       
93.16209 612.4214       82.91339 40.81040 5.437377 53.91522 3.662978 -13.10482 
6.556102 
1 1 1 -11 12  15 o 69.33003 2.646291  1028.761       74.97341 936.7748       
117.5187 1091.896       97.36036 66.64099 4.200360 72.01907 3.219999 -5.378075 
5.292581 
1 1 1 -11 12  16 o 118.5926 2.633439  2966.703       126.8617 2950.120       
207.1825 2976.650       160.4604 118.2707 4.172506 118.9145 3.214061 
-0.6437683     5.266877 
1 1 1 -11 12  17 o 93.95786 2.269124  1857.873       87.36241 1860.477       
139.7115 1856.201       111.9486 93.98349 3.540801 93.93221 2.838737 
0.5127716E-01  4.538249 
1 1 1 -11 12  18 o 52.61257 2.758206  578.4116       60.11816 614.2614       
94.07107 553.6621       78.16209 53.96349 4.152189 51.26165 3.631823 2.701847 
5.516413 
1 1 1 -11 12  19 o 248.0288 4.282015  13043.28       415.6531 13107.21       
735.8018 13013.32       503.7238 247.9707 7.067757 248.0869 4.836261 
-0.1161804     8.564030 
1 1 1 -11 12  20 o 148.1396 2.489897  4556.099       143.8543 4819.959       
259.6950 4439.293       172.7856 151.0687 4.094587 145.2104 2.834202 5.858322 
4.979793 
1 1 1 -11 12  21 o 97.90116 2.187274  2014.993       87.81289 2045.230       
140.5793 1995.646       112.4502 98.45952 3.400830 97.34280 2.751549 1.116714 
4.374547 
1 1 1 -11 12  22 o 133.6139 2.243145  3752.521       121.7184 3824.057       
200.0834 3710.494       153.3600 134.5357 3.542374 132.6920 2.752886 1.843719 
4.486290 
1 1 1 -11 12  23 o 126.6028 2.460814  3392.469       126.5806 3374.369       
206.5669 3403.352       160.1776 126.2167 3.898208 126.9888 3.004397 
-0.7721634     4.921628 
1 1 1 -11 12  24 o 91.37779 2.653797  1743.813       98.80877 1876.815       
162.9606 1666.489       124.2551 93.99882 4.129347 88.75676 3.334523 5.242058 
5.307594 
1 1 1 -11 12  25 o 85.77505 2.900959  1565.043       104.4204 1631.555       
149.7089 1502.030       145.7176 87.55717 4.072649 83.99294 4.132285 3.564240 
5.801917 
1 1 1 -11 12  26 o 178.2801 3.300937  6818.179       246.5956 6801.372       
338.3181 6837.229       360.1859 178.1637 4.523004 178.3965 4.809072 
-0.2328491     6.601874 
1 1 1 -11 12  27 o 50.06540 3.778462  544.3384       79.38111 568.2737       
113.2821 521.2463       111.2687 51.16843 5.273271 48.96236 5.412921 2.206070 
7.556924 
1 1 1 -11 12  28 o 64.44061 2.871905  885.9487       77.40154 977.5760       
115.6321 811.5645       104.1853 67.42812 4.084683 61.45311 4.038159 5.975002 
5.743811 
1 1 1 -11 12  29 o 41.05779 4.320901  369.8256       73.49113 417.7264       
115.8794 337.5959       95.05217 43.12228 6.400672 38.99330 5.806215 4.128986 
8.641802 
1 1 1 -11 12  30 o 25.31325 5.910773  151.5616       75.33746 101.6014       
109.3753 196.6629       103.9204 22.33669 8.469949 28.28981 8.246752 -5.953119 
11.82155 
1 1 1 -11 12  31 o 59.16127 3.631275  776.2528       89.44259 804.7862       
136.4035 754.7303       118.4664 59.91564 5.422586 58.40690 4.831169 1.508739 
7.262550 
1 1 1 -11 12  32 o 15.46621 5.127801  -86.52122      81.99131 -31.11917      
129.2984 -123.7824      106.0373 17.52639 7.976504 13.40602 6.446143 4.120368 
10.25560 
1 1 1 -11 12  33 o 23.16701 6.168163  103.8564       84.88501 231.5597       
136.1923 22.73400       108.5480 28.57392 9.602695 17.76010 7.744234 10.81382 
12.33633 
1 1 1 -11 12  34 o 29.40813 6.619462  259.0140       92.01697 231.5281       
125.5043 290.9635       135.3118 27.85028 9.218201 30.96597 9.502310 -3.115696 
13.23892 
1 1 1 -11 13  1  o 167.0551 4.180063  5880.530       288.6403 6014.436       
451.7167 5788.128       375.2382 168.5572 6.383221 165.5531 5.398722 3.004181 
8.360126 
1 1 1 -11 13  2  o 169.9747 5.067207  6135.425       328.0515 6108.601       
607.9094 6146.446       389.6576 169.3431 8.550518 170.6063 5.440128 -1.263229 
10.13441 
1 1 1 -11 13  3  o 336.0326 9.531543  24355.48       899.2991 24814.89       
2494.223 24286.83       964.1489 333.4664 17.81575 338.5987 6.782345 -5.132324 
19.06309 
1 1 1 -11 13  4  o 38.22539 5.072593  310.7354       71.28001 327.5475       
137.0677 304.5035       83.45189 38.46688 8.691353 37.98389 5.233084 0.4829826 
10.14519 
1 1 1 -11 13  5  o 131.5364 4.075750  3334.567       152.8901 4113.173       
439.7248 3227.496       163.0640 139.1977 7.524369 123.8751 3.135416 15.32253 
8.151501 
1 1 1 -11 13  6  o 22.32492 5.096542  109.2087       59.86338 -70.67166      
131.5619 156.1761       67.22590 17.99939 8.142382 26.65046 6.131931 -8.651062 
10.19308 
1 1 1 -11 13  7  o 124.6526 2.875446  3227.992       136.0928 3378.463       
256.9023 3169.292       160.4572 126.5558 4.835116 122.7494 3.113586 3.806412 
5.750893 
1 1 1 -11 13  8  o 137.8187 2.519555  3840.316       120.2658 4280.620       
264.5753 3725.643       135.0216 142.4993 4.422396 133.1381 2.415583 9.361176 
5.039110 
1 1 1 -11 13  9  o 159.7448 2.576949  5350.436       159.8655 5431.876       
288.0822 5314.195       192.1698 160.5297 4.274469 158.9599 2.879510 1.569748 
5.153898 
1 1 1 -11 13  10 o 142.3471 2.306336  4297.030       135.1211 4089.080       
210.3741 4443.060       176.2919 139.3543 3.595780 145.3400 2.889138 -5.985703 
4.612673 
1 1 1 -11 13  11 o 125.3264 2.044682  3270.162       102.7384 3417.065       
175.0457 3192.963       126.8935 127.4147 3.272301 123.2381 2.452537 4.176567 
4.089363 
1 1 1 -11 13  12 o 164.8830 2.409406  5659.930       154.9693 5898.234       
278.7253 5553.302       186.4434 167.2771 3.968817 162.4890 2.733029 4.788101 
4.818813 
1 1 1 -11 13  13 f 40.13466 3.152889  333.6206       52.62378 398.9909       
80.89557 285.6641       69.28799 43.48067 4.431488 36.78865 4.486062 6.692020 
6.305778 
1 1 1 -11 13  14 o 155.3369 2.035822  5119.190       130.2464 4843.656       
202.0061 5315.237       170.3946 151.6918 3.171930 158.9820 2.552871 -7.290192 
4.071644 
1 1 1 -11 13  15 o 37.38484 4.251145  317.4624       61.38600 238.9191       
96.69693 370.4842       79.44836 32.87424 7.203240 41.89544 4.516888 -9.021191 
8.502291 
1 1 1 -11 13  16 o 52.68333 3.062852  596.5738       65.98344 529.8312       
102.3452 644.0492       86.31790 50.07936 4.867769 55.28730 3.718746 -5.207935 
6.125704 
1 1 1 -11 13  17 o 77.59624 2.316318  1269.327       73.93198 1259.614       
116.6644 1275.845       95.57287 77.32440 3.593708 77.86809 2.923453 
-0.5436859     4.632636 
1 1 1 -11 13  18 f 32.21895 4.374637  241.6936       55.87669 150.4672       
85.90884 308.5840       73.56298 26.21650 7.452107 38.22140 4.584308 -12.00490 
8.749273 
1 1 1 -11 13  19 o 51.14338 3.316796  558.8004       69.77616 522.5699       
108.2031 584.5923       91.29441 49.66733 5.189075 52.61943 4.132559 -2.952103 
6.633592 
1 1 1 -11 13  20 o 152.2228 2.410167  4913.107       150.0017 4768.083       
239.3360 5006.926       192.5004 150.2785 3.793431 154.1671 2.974138 -3.888535 
4.820334 
1 1 1 -11 13  21 o 52.95905 3.175969  582.2689       69.20563 654.0443       
111.7901 537.6685       88.12212 55.51587 4.796310 50.40224 4.164436 5.113628 
6.351938 
1 1 1 -11 13  22 o 172.8266 2.628120  6370.729       187.9591 5967.280       
285.9253 6677.750       249.4258 167.8423 4.057628 177.8108 3.341215 -9.968475 
5.256240 
1 1 1 -11 13  23 o 157.8582 2.627093  5334.209       169.7497 4998.800       
267.1654 5561.283       219.8246 153.4838 4.146090 162.2327 3.227446 -8.748947 
5.254186 
1 1 1 -11 13  24 f 67.65401 3.071002  980.0283       86.33251 928.4263       
129.7163 1021.062       115.6723 65.96972 4.683505 69.33829 3.973536 -3.368576 
6.142003 
1 1 1 -11 13  25 o 103.1636 2.775776  2258.785       120.0329 2160.132       
164.1870 2372.047       175.9243 100.7662 3.881011 105.5610 3.969570 -4.794785 
5.551552 
1 1 1 -11 13  26 o 66.60942 3.303797  952.7062       92.20531 873.6368       
128.6594 1036.199       132.2091 63.72411 4.809043 69.49473 4.531380 -5.770622 
6.607594 
1 1 1 -11 13  27 o 67.60819 3.291706  985.4202       93.38883 1027.588       
134.0203 945.6190       130.2058 69.02497 4.624719 66.19141 4.685434 2.833557 
6.583412 
1 1 1 -11 13  28 o 28.99477 5.763124  202.2594       73.64696 171.6605       
109.6507 227.4079       99.40627 27.01057 8.600986 30.97896 7.673162 -3.968386 
11.52625 
1 1 1 -11 13  29 o 40.36638 4.815216  372.0451       78.43976 475.8387       
116.0414 284.7159       106.4406 46.16658 5.986957 34.56617 7.543312 11.60041 
9.630431 
1 1 1 -11 13  30 o 25.20790 5.593222  152.6953       66.76372 124.3672       
95.66036 179.5983       93.22310 23.26346 8.040623 27.15233 7.777205 -3.888870 
11.18644 
1 1 1 -11 13  31 o 21.76953 5.812008  92.23066       76.79168 25.28954       
111.3616 152.9197       106.0338 18.52952 7.957726 25.00955 8.473037 -6.480028 
11.62402 
1 1 1 -11 13  32 o 38.92143 5.456668  353.7884       88.52776 626.8713       
140.8464 175.4466       113.8216 51.74374 6.483491 26.09912 8.778682 25.64462 
10.91334 
1 1 1 -11 13  33 o 65.45313 3.763415  977.6384       97.43243 1006.830       
168.5888 962.9985       119.3898 65.21658 6.157323 65.68967 4.329035 
-0.4730988     7.526830 
1 1 1 -11 13  34 o 15.27564 4.937066  -25.65260      72.44937 -92.74422      
114.0305 19.76350       93.81918 14.21634 6.798948 16.33494 7.160501 -2.118604 
9.874131 
1 1 1 -11 14  1  o 100.4306 3.546717  2150.581       142.9452 2059.748       
237.6898 2202.046       178.9158 98.65829 5.738494 102.2030 4.169713 -3.544693 
7.093435 
1 1 1 -11 14  2  o 126.2106 3.648371  3438.004       180.9449 3150.641       
310.2177 3586.185       222.7648 121.9751 6.057823 130.4462 4.067582 -8.471107 
7.296742 
1 1 1 -11 14  3  o 137.1531 4.276785  3824.697       205.4572 4274.537       
444.7259 3702.635       231.6611 141.7671 7.472020 132.5391 4.163229 9.228027 
8.553570 
1 1 1 -11 14  4  o 117.6731 3.389495  2805.815       127.8917 3106.294       
310.9478 2744.635       140.3088 121.1157 6.115164 114.2306 2.925658 6.885155 
6.778990 
1 1 1 -11 14  5  o 174.0186 4.824881  6146.398       199.9444 6776.157       
686.8261 6088.086       208.9963 177.9079 9.195444 170.1295 2.926039 7.778397 
9.649761 
1 1 1 -11 14  6  o 21.43422 5.361620  89.69683       59.85578 -26.90494      
130.9968 120.4648       67.29111 19.36931 8.476082 23.49912 6.568402 -4.129805 
10.72324 
1 1 1 -11 14  7  o 175.4292 3.561534  6252.766       207.3284 6910.282       
481.9351 6103.442       229.6673 180.5557 6.357677 170.3028 3.212169 10.25287 
7.123068 
1 1 1 -11 14  8  o 291.9517 4.615090  17883.72       408.7852 18369.98       
1044.174 17795.71       444.2439 293.2192 8.482065 290.6841 3.640167 2.535156 
9.230181 
1 1 1 -11 14  9  o 69.02046 2.482576  1006.202       70.33772 988.3961       
111.3599 1018.021       90.72627 68.48740 3.872927 69.55352 3.106955 -1.066124 
4.965152 
1 1 1 -11 14  10 o 53.70718 2.733113  593.2935       60.87536 729.0219       
94.70892 497.7412       79.46497 58.81727 3.835368 48.59708 3.894814 10.22019 
5.466226 
1 1 1 -11 14  11 f 30.82398 4.443963  197.3448       56.30954 284.5840       
88.10354 137.0994       73.21491 36.65726 5.724722 24.99070 6.798734 11.66656 
8.887926 
1 1 1 -11 14  12 o 37.58094 3.815013  295.5155       59.21979 316.9196       
93.78809 281.3236       76.36927 38.67821 5.775671 36.48368 4.985872 2.194530 
7.630025 
1 1 1 -11 14  13 o 200.9162 3.104730  8563.047       253.9050 8332.458       
410.1538 8706.317       323.3005 198.5771 4.919701 203.2553 3.788660 -4.678177 
6.209460 
1 1 1 -11 14  14 o 151.4422 2.431868  4711.211       137.6529 5090.655       
268.6039 4576.063       160.3035 155.3716 4.117767 147.5127 2.588419 7.858856 
4.863735 
1 1 1 -11 14  15 o 147.4876 2.525807  4451.772       141.8370 4891.046       
269.4661 4283.425       166.8161 152.2776 4.214918 142.6975 2.784469 9.580078 
5.051614 
1 1 1 -11 14  16 o 36.25908 3.725206  271.6101       56.03310 326.2081       
87.62796 233.8433       72.88021 39.26719 5.315376 33.25098 5.220671 6.016209 
7.450411 
1 1 1 -11 14  17 o 166.1126 2.604182  5659.792       156.7621 6125.651       
320.9182 5513.794       179.6546 170.3219 4.487917 161.9033 2.643040 8.418640 
5.208364 
1 1 1 -11 14  18 o 170.9147 2.503168  6200.051       173.4617 5988.218       
282.3927 6328.410       219.8206 168.4588 3.992830 173.3705 3.020050 -4.911728 
5.006335 
1 1 1 -11 14  19 o 52.65708 3.278069  598.2050       70.34081 533.4063       
110.2651 642.6693       91.33999 50.14664 5.237418 55.16752 3.943652 -5.020882 
6.556137 
1 1 1 -11 14  20 o 166.4058 2.917132  5808.033       192.2728 6004.686       
335.0201 5711.446       234.7895 168.2870 4.741780 164.5245 3.399140 3.762466 
5.834263 
1 1 1 -11 14  21 o 156.0785 2.788585  5075.127       168.3174 5360.600       
308.3184 4953.925       200.8951 158.9236 4.620961 153.2335 3.122747 5.690063 
5.577170 
1 1 1 -11 14  22 o 163.8919 2.563804  5683.460       163.3070 5679.000       
292.5267 5685.480       196.8353 163.6055 4.258815 164.1783 2.855671 
-0.5728607     5.127608 
1 1 1 -11 14  23 o 214.4227 4.397581  9813.773       364.8419 10145.64       
662.8398 9669.528       436.9958 215.9478 7.311068 212.8976 4.889086 3.050247 
8.795162 
1 1 1 -11 14  24 o 131.4461 2.996017  3654.723       155.0979 3750.385       
272.6144 3608.940       188.5946 132.3922 4.904645 130.5001 3.442227 1.892105 
5.992034 
1 1 1 -11 14  25 o 52.63925 3.873331  598.4990       85.58540 606.9965       
120.5788 589.8713       121.4985 53.03246 5.415645 52.24604 5.539093 0.7864227 
7.746662 
1 1 1 -11 14  26 o 74.12953 3.252042  1179.977       101.1395 1136.332       
139.9183 1227.737       146.3652 72.70165 4.584072 75.55742 4.614044 -2.855766 
6.504085 
1 1 1 -11 14  27 o 92.48572 3.163320  1842.335       122.5374 1816.210       
167.1508 1872.688       180.1686 91.85255 4.334495 93.11890 4.608529 -1.266350 
6.326641 
1 1 1 -11 14  28 o 40.27702 5.157042  377.3945       83.04782 186.0018       
111.9827 611.3091       123.7990 27.88939 8.662004 52.66464 5.599109 -24.77525 
10.31408 
1 1 1 -11 14  29 o 45.54097 4.186190  461.5638       79.86474 497.6366       
117.6194 430.7043       108.7884 47.17626 5.938498 43.90569 5.901777 3.270569 
8.372379 
1 1 1 -11 14  30 o 26.66109 5.975447  171.4340       76.61204 223.0556       
111.4808 125.2368       105.4612 29.84162 8.491158 23.48055 8.409762 6.361076 
11.95089 
1 1 1 -11 14  31 f 18.86233 5.468364  37.25316       71.66892 -17.00599      
97.39466 101.3323       105.8418 15.87460 7.100489 21.85007 8.318357 -5.975464 
10.93673 
1 1 1 -11 14  32 o 46.18133 4.223457  487.2875       81.11301 536.2993       
125.4526 452.0803       106.3274 47.96577 6.229733 44.39688 5.704452 3.568897 
8.446914 
1 1 1 -11 14  33 o 64.56458 3.926042  925.0800       103.6326 1192.477       
172.1851 773.1989       129.7685 71.29980 5.752126 57.82935 5.344930 13.47046 
7.852084 
1 1 1 -11 14  34 f 19.98591 5.942997  79.27369       86.28455 32.73534       
134.5862 111.7507       112.4303 18.75077 8.367933 21.22105 8.441242 -2.470285 
11.88599 
1 1 1 -11 15  1  o 145.7790 4.538896  4554.379       246.1315 4416.392       
470.6359 4606.328       288.7691 143.8609 7.792261 147.6972 4.656927 -3.836365 
9.077791 
1 1 1 -11 15  2  o 36.35954 5.617619  311.1034       82.07995 206.9781       
137.6786 368.5178       102.2348 31.01137 9.599072 41.70772 5.838526 -10.69635 
11.23524 
1 1 1 -11 15  3  o 124.4800 3.344074  3239.308       160.4925 3355.447       
294.2935 3190.147       191.4706 125.9092 5.567294 123.0508 3.706286 2.858452 
6.688148 
1 1 1 -11 15  4  o 104.1218 3.248224  2291.653       111.7756 2283.482       
254.7419 2293.601       124.3894 103.8270 5.844013 104.4167 2.837491 
-0.5896759     6.496448 
1 1 1 -11 15  5  o 44.93907 4.456161  440.2138       66.78551 424.7976       
142.1999 444.5767       75.64783 43.95175 8.002309 45.92638 3.923334 -1.974632 
8.912323 
1 1 1 -11 15  6  o 116.9123 3.509850  2623.165       113.2825 3256.224       
338.9673 2543.570       120.1933 123.8468 6.519195 109.9779 2.603132 13.86897 
7.019701 
1 1 1 -11 15  7  o 182.2137 3.448874  6846.620       222.9554 7330.693       
469.3990 6705.592       253.3595 185.9728 6.011929 178.4547 3.381664 7.518127 
6.897748 
1 1 1 -11 15  8  o 179.7253 2.365635  6472.729       132.5955 7301.753       
335.5276 6319.297       144.3450 186.0388 4.295816 173.4117 1.982643 12.62718 
4.731269 
1 1 1 -11 15  9  o 47.02837 2.916735  465.2863       57.30535 477.6249       
85.86892 455.3784       76.94714 47.57973 4.298680 46.47701 3.943442 1.102722 
5.833471 
1 1 1 -11 15  10 o 135.9377 2.213522  3765.259       115.8163 4199.905       
216.6657 3591.385       137.0374 141.1880 3.655218 130.6875 2.497619 10.50058 
4.427044 
1 1 1 -11 15  11 f 177.3602 2.387228  6586.786       164.7228 6722.698       
296.2445 6525.958       198.1847 178.5751 3.951395 176.1453 2.679910 2.429825 
4.774457 
1 1 1 -11 15  12 f 204.6622 3.629787  8795.415       295.4457 9042.578       
509.9099 8670.506       362.4933 206.5862 5.879130 202.7381 4.258785 3.848175 
7.259575 
1 1 1 -11 15  13 o 283.9395 4.462220  17143.51       505.2453 16981.16       
858.8699 17229.42       624.7884 282.4309 7.243296 285.4480 5.213471 -3.017120 
8.924439 
1 1 1 -11 15  14 o 63.52576 2.620774  844.4739       68.61195 880.1036       
108.8811 821.0070       88.36400 64.60912 4.014022 62.44240 3.370675 2.166714 
5.241548 
1 1 1 -11 15  15 o 111.4596 2.409379  2622.003       109.4338 2592.438       
177.0404 2640.284       139.2151 110.9059 3.802235 112.0134 2.960311 -1.107521 
4.818758 
1 1 1 -11 15  16 o 38.81223 3.936884  317.8503       63.21565 326.4450       
98.71542 311.8754       82.30604 39.22721 5.994026 38.39723 5.105671 0.8299828 
7.873768 
1 1 1 -11 15  17 o 126.1748 2.105870  3382.256       109.9592 3146.321       
166.9170 3563.147       146.1547 122.2167 3.253054 130.1329 2.675142 -7.916267 
4.211739 
1 1 1 -11 15  18 o 76.35124 2.553763  1236.873       80.84382 1180.267       
122.8711 1280.085       107.3543 74.76942 3.914233 77.93306 3.281096 -3.163643 
5.107525 
1 1 1 -11 15  19 o 150.7271 3.138359  4810.428       192.8490 4806.006       
312.3369 4813.153       245.1619 150.5186 4.942587 150.9357 3.868852 
-0.4171448     6.276718 
1 1 1 -11 15  20 o 96.23401 2.469259  1969.870       98.57485 1853.861       
148.8500 2060.490       131.5578 93.64124 3.786193 98.82679 3.170757 -5.185555 
4.938518 
1 1 1 -11 15  21 o 136.7907 2.428635  3938.500       133.6576 4008.374       
224.5035 3900.136       166.3509 137.6002 3.886199 135.9811 2.913852 1.619049 
4.857271 
1 1 1 -11 15  22 o 58.50371 2.828600  689.4155       66.92024 863.6820       
114.9956 600.1803       82.28909 63.76745 4.295395 53.23996 3.681506 10.52748 
5.657200 
1 1 1 -11 15  23 o 114.5655 3.058967  2797.809       141.0546 2777.573       
235.0824 2809.194       176.3218 114.0150 4.911105 115.1159 3.648309 -1.100899 
6.117934 
1 1 1 -11 15  24 o 185.3810 3.783761  7336.816       269.7343 7542.919       
494.7320 7249.635       321.7644 186.3167 6.324691 184.4453 4.155197 1.871460 
7.567521 
1 1 1 -11 15  25 o 107.4969 3.217948  2479.654       145.1190 2382.441       
205.9365 2575.543       204.5293 105.3496 4.656091 109.6442 4.443149 -4.294586 
6.435896 
1 1 1 -11 15  26 o 94.93410 3.150041  1930.199       125.1074 1849.151       
168.6900 2029.269       186.5055 92.79092 4.330170 97.07727 4.576097 -4.286346 
6.300082 
1 1 1 -11 15  27 o 148.1462 3.678846  4785.359       228.7672 4669.653       
320.0132 4906.289       327.1564 146.3078 5.209806 149.9846 5.195531 -3.676758 
7.357691 
1 1 1 -11 15  28 o 50.24954 3.760661  549.1561       78.42181 517.3520       
102.2681 594.5504       122.1798 48.63148 5.008918 51.86760 5.610796 -3.236122 
7.521322 
1 1 1 -11 15  29 o 56.17034 3.637618  697.3244       85.62076 669.8503       
123.1422 723.0370       119.1295 54.99513 5.333396 57.34555 4.948126 -2.350414 
7.275237 
1 1 1 -11 15  30 o 51.21880 4.126960  594.5551       88.29594 557.9216       
128.4600 627.3609       121.5638 49.49825 6.181576 52.93935 5.469490 -3.441101 
8.253921 
1 1 1 -11 15  31 o 24.83543 5.854598  136.9389       78.90622 244.1555       
114.6578 40.47526       108.7564 30.75730 8.566441 18.91356 7.982565 11.84375 
11.70920 
1 1 1 -11 15  32 o 25.72205 5.846366  163.1044       78.85179 260.1748       
111.5441 66.14132       111.4824 31.51854 8.310239 19.92555 8.225565 11.59299 
11.69273 
1 1 1 -11 15  33 o 33.02271 5.923669  273.7799       88.67948 498.9012       
142.6930 132.1193       113.1928 43.37033 8.136798 22.67508 8.611152 20.69526 
11.84734 
1 1 1 -11 15  34 o 18.51936 5.781149  33.96430       86.12505 77.68169       
137.3355 5.627321       110.5688 20.33715 8.787274 16.70158 7.514689 3.635571 
11.56230 
1 1 1 -11 16  1  o 86.14082 3.367744  1484.060       113.8934 1802.246       
208.5903 1348.904       135.9475 92.29710 5.383035 79.98454 4.048425 12.31256 
6.735489 
1 1 1 -11 16  2  f 18.22258 5.612903  -16.04737      78.29375 -22.38721      
127.9873 -12.25619      98.97247 19.26131 8.403880 17.18385 7.442682 2.077461 
11.22581 
1 1 1 -11 16  3  o 197.6526 5.246725  8224.648       312.5339 8468.451       
804.2680 8181.285       339.1913 198.3398 9.658551 196.9654 4.101813 1.374390 
10.49345 
1 1 1 -11 16  4  o 31.34721 5.760375  193.6450       70.47514 285.3152       
135.4863 159.6413       82.51720 35.77904 9.016803 26.91537 7.171118 8.863668 
11.52075 
1 1 1 -11 16  5  o 143.0847 4.250610  4002.927       148.6759 4774.108       
505.6682 3929.953       155.5513 149.4810 8.057510 136.6884 2.710585 12.79254 
8.501220 
1 1 1 -11 16  6  o 38.76044 4.883783  307.8278       65.29635 359.6496       
140.1882 293.4703       73.78931 40.24417 8.554215 37.27671 4.714949 2.967468 
9.767566 
1 1 1 -11 16  7  o 34.95860 5.396935  284.5886       66.02549 225.0171       
142.1926 300.9634       74.54967 32.16677 9.715055 37.75042 4.703758 -5.583652 
10.79387 
1 1 1 -11 16  8  o 84.77023 2.409068  1548.226       81.41214 1395.540       
134.9707 1635.548       102.0711 81.36282 3.951251 88.17764 2.757182 -6.814819 
4.818136 
1 1 1 -11 16  9  o 120.8252 2.454849  3090.835       117.3257 3025.380       
202.3006 3124.008       144.0202 119.7889 4.022552 121.8615 2.814999 -2.072563 
4.909698 
1 1 1 -11 16  10 o 19.14640 4.907281  57.29941       55.24689 -13.19177      
86.86203 105.1882       71.59449 16.00592 6.953045 22.28689 6.926817 -6.280968 
9.814562 
1 1 1 -11 16  11 o 36.23217 4.144504  269.6031       59.39574 407.9557       
94.63612 179.6850       76.29334 43.92854 5.131344 28.53579 6.509758 15.39275 
8.289007 
1 1 1 -11 16  12 o 135.5093 2.803931  3856.082       150.7701 3917.135       
260.7332 3825.412       184.7997 136.2194 4.559095 134.7992 3.265389 1.420120 
5.607862 
1 1 1 -11 16  13 o 54.64643 3.043257  597.3113       67.85744 839.2690       
110.4833 450.7529       85.98686 63.07912 4.171884 46.21373 4.431820 16.86539 
6.086514 
1 1 1 -11 16  14 f 183.5262 2.720741  6992.061       193.9073 7384.669       
352.6928 6821.975       232.1403 187.0220 4.491847 180.0305 3.071324 6.991531 
5.441482 
1 1 1 -11 16  15 o 298.3167 5.077063  19026.85       604.1830 18793.88       
1025.022 19150.88       747.9213 296.1843 8.243132 300.4490 5.929338 -4.264740 
10.15413 
1 1 1 -11 16  16 o 60.63646 2.863611  769.2377       71.52560 810.3618       
113.9166 742.4746       91.89830 61.93456 4.381019 59.33837 3.688866 2.596184 
5.727221 
1 1 1 -11 16  17 o 79.19039 2.365285  1296.766       77.08674 1446.114       
124.3225 1203.482       98.25491 82.80011 3.576349 75.58067 3.096453 7.219437 
4.730570 
1 1 1 -11 16  18 o 184.9984 3.377446  7267.883       251.4239 7207.531       
419.3023 7301.765       314.1694 184.1379 5.423818 185.8589 4.026258 -1.720947 
6.754891 
1 1 1 -11 16  19 o 136.3772 2.836908  3968.130       158.7363 3769.230       
249.2108 4103.917       205.9103 133.3541 4.451245 139.4002 3.518323 -6.046066 
5.673815 
1 1 1 -11 16  20 o 115.1803 2.296535  2804.904       109.4136 2778.362       
169.4991 2823.864       143.2584 114.6540 3.521270 115.7065 2.949058 -1.052513 
4.593069 
1 1 1 -11 16  21 o 79.92706 2.408734  1348.743       80.01798 1364.174       
122.4171 1337.231       105.7325 80.28667 3.631780 79.56745 3.165149 0.7192230 
4.817467 
1 1 1 -11 16  22 o 142.1456 2.951164  4302.756       164.1061 4267.654       
289.7335 4319.336       199.1269 141.4009 4.880538 142.8904 3.319312 -1.489502 
5.902328 
1 1 1 -11 16  23 o 43.67554 4.417037  388.8585       78.30064 517.1642       
133.2304 321.1577       96.77822 48.79723 6.503234 38.55385 5.979033 10.24337 
8.834075 
1 1 1 -11 16  24 o 138.6529 3.049531  4135.238       165.9095 4028.957       
289.6926 4187.112       202.3881 136.8703 5.041379 140.4355 3.432646 -3.565292 
6.099062 
1 1 1 -11 16  25 o 107.5578 2.835407  2473.678       127.7903 2460.298       
186.2814 2485.572       175.6339 107.2201 4.138226 107.8956 3.877268 
-0.6754227     5.670813 
1 1 1 -11 16  26 o 32.27502 5.334620  242.2198       71.25145 201.5359       
98.04474 287.7539       103.7245 29.28836 7.822857 35.26170 7.255041 -5.973339 
10.66924 
1 1 1 -11 16  27 o 77.79159 3.033796  1304.611       98.85101 1280.271       
134.7489 1332.973       145.4574 77.06933 4.164516 78.51385 4.412763 -1.444519 
6.067592 
1 1 1 -11 16  28 o 20.46224 5.776824  51.34888       79.87869 121.0466       
109.9762 -26.47768      116.2126 23.64394 8.575970 17.28055 7.742061 6.363396 
11.55365 
1 1 1 -11 16  29 o 24.38741 5.786793  130.1407       77.43679 33.04147       
112.5936 217.2929       106.6706 19.13585 8.101505 29.63897 8.265199 -10.50312 
11.57359 
1 1 1 -11 16  30 o 38.44244 5.179837  352.5710       81.24901 452.9409       
118.8761 264.5803       111.3042 44.39982 6.377265 32.48507 8.164150 11.91475 
10.35967 
1 1 1 -11 16  31 o 23.70371 5.929349  136.4073       75.17706 97.23792       
114.7427 165.8670       99.50986 21.77546 8.569770 25.63197 8.196815 -3.856503 
11.85870 
1 1 1 -11 16  32 o 60.70272 3.850702  843.7114       97.92919 877.3737       
144.1532 814.8619       133.4508 61.71045 5.563992 59.69500 5.324812 2.015457 
7.701405 
1 1 1 -11 16  33 o 17.88375 5.426406  11.17213       75.81219 118.1655       
117.8752 -64.30817      99.00581 21.84790 8.658109 13.91960 6.543750 7.928301 
10.85281 
1 1 1 -11 17  1  o 144.2595 4.999875  4398.518       302.8185 0.000000       
0.000000 4398.518       302.8185 ?        ?        144.2595 4.999875 ? ? 
1 1 1 -11 17  2  o 64.83105 3.872998  901.5058       103.9589 765.1801       
151.4614 1022.937       142.9479 60.08116 6.004609 69.58095 4.893375 -9.499790 
7.745995 
1 1 1 -11 17  3  o 256.8432 7.959775  14181.83       754.7350 14621.82       
1477.566 14026.50       877.9031 257.4922 13.66797 256.1942 8.162032 1.297943 
15.91955 
1 1 1 -11 17  4  o 71.44157 3.444477  1029.840       88.73183 1174.063       
185.0864 986.8007       101.1082 74.43441 5.922729 68.44875 3.518375 5.985664 
6.888953 
1 1 1 -11 17  5  o 86.84818 3.603709  1605.718       97.94872 1577.314       
238.3483 1611.489       107.4401 86.18009 6.587585 87.51627 2.924143 -1.336182 
7.207419 
1 1 1 -11 17  6  o 105.2549 3.705499  2296.860       108.2261 2404.920       
309.1537 2281.767       115.5370 106.3494 6.924053 104.1604 2.642040 2.189011 
7.410998 
1 1 1 -11 17  7  o 47.52151 3.829971  457.9364       68.73890 523.6416       
133.4472 434.2066       80.19667 49.67114 6.399212 45.37188 4.210083 4.299263 
7.659943 
1 1 1 -11 17  8  o 103.0008 2.189096  2175.164       87.65895 2384.763       
160.4732 2086.022       104.6524 106.3998 3.592384 99.60179 2.502666 6.798012 
4.378192 
1 1 1 -11 17  9  o 82.83400 2.320501  1447.628       77.65804 1433.204       
128.3518 1455.957       97.53650 82.47445 3.706838 83.19355 2.792535 
-0.7191010     4.641002 
1 1 1 -11 17  10 o 166.3828 2.496944  5805.675       158.3996 5891.897       
294.7265 5770.655       187.8335 167.1299 4.200356 165.6356 2.701098 1.494278 
4.993888 
1 1 1 -11 17  11 o 175.8577 2.630820  6514.989       178.4670 6522.049       
324.3196 6511.921       213.7383 175.7922 4.394350 175.9231 2.893880 
-0.1308746     5.261639 
1 1 1 -11 17  12 o 23.77964 4.568613  77.99866       59.35996 252.4937       
91.99091 -46.49741      77.70181 33.89445 6.703033 13.66483 6.209529 20.22962 
9.137226 
1 1 1 -11 17  13 o 99.20879 2.317403  2057.425       93.91580 2138.095       
152.7893 2008.436       119.0646 100.7260 3.613037 97.69157 2.902997 3.034431 
4.634807 
1 1 1 -11 17  14 o 64.65611 2.757265  878.4772       74.01100 903.7006       
114.1819 860.2011       97.19324 65.43217 4.156494 63.88007 3.624030 1.552101 
5.514530 
1 1 1 -11 17  15 o 80.72337 2.318283  1370.739       77.25484 1385.746       
121.1020 1360.441       100.3189 81.06821 3.558130 80.37853 2.972786 0.6896820 
4.636566 
1 1 1 -11 17  16 o 160.6331 2.926349  5383.433       184.5697 5648.752       
328.3030 5260.824       223.1781 163.3086 4.788361 157.9576 3.365364 5.350952 
5.852698 
1 1 1 -11 17  17 o 43.11758 3.724170  384.1250       66.24749 454.9185       
106.4710 339.4039       84.62358 46.24783 5.483541 39.98733 5.040690 6.260498 
7.448340 
1 1 1 -11 17  18 o 119.1167 2.269712  2986.395       108.5565 3018.504       
182.8661 2968.922       134.8979 119.5227 3.644212 118.7107 2.706676 0.8120193 
4.539425 
1 1 1 -11 17  19 o 146.9061 2.406624  4566.528       143.1800 4531.024       
235.3755 4587.382       180.3947 146.3277 3.831384 147.4844 2.913391 -1.156662 
4.813247 
1 1 1 -11 17  20 o 88.84000 2.505790  1648.485       90.18069 1748.535       
150.4792 1592.416       112.6509 90.83577 3.945852 86.84423 3.089689 3.991539 
5.011580 
1 1 1 -11 17  21 o 115.4433 3.063857  2807.997       142.1523 2922.398       
240.4799 2746.552       176.2400 117.0315 4.894373 113.8550 3.687001 3.176506 
6.127713 
1 1 1 -11 17  22 o 67.67713 2.933600  957.0604       80.09472 1036.824       
135.5145 914.2369       99.29411 69.69422 4.631377 65.66004 3.601998 4.034180 
5.867200 
1 1 1 -11 17  23 o 21.40888 5.820193  59.23254       71.88943 126.5965       
122.2653 23.63768       88.87569 25.16014 9.050656 17.65762 7.320123 7.502520 
11.64039 
1 1 1 -11 17  24 o 55.68423 3.261247  640.7720       74.08569 772.4081       
123.7725 567.2785       92.48279 59.88668 4.922831 51.48177 4.278864 8.404907 
6.522495 
1 1 1 -11 17  25 o 24.92800 5.100366  133.2066       67.61935 0.1345856      
100.6812 242.5558       91.26683 17.36542 7.513785 32.49059 6.899128 -15.12517 
10.20073 
1 1 1 -11 17  26 o 77.18288 3.075950  1284.942       99.49861 1279.097       
144.8316 1290.166       136.9256 76.95306 4.482893 77.41270 4.213020 
-0.4596329     6.151900 
1 1 1 -11 17  27 o 36.99661 5.390265  323.2058       81.01012 277.3003       
112.0774 373.4270       117.2273 34.00207 7.979675 39.99116 7.248765 -5.989090 
10.78053 
1 1 1 -11 17  28 o 35.40305 5.823752  304.5290       84.74518 283.4110       
114.3705 330.2397       126.1958 34.09347 8.099482 36.71263 8.370349 -2.619164 
11.64750 
1 1 1 -11 17  29 o 32.98800 5.133370  261.0738       69.25379 295.5970       
100.6771 230.0657       95.41401 35.21292 7.058969 30.76307 7.454992 4.449852 
10.26674 
1 1 1 -11 17  30 o 44.52189 4.702448  463.9521       84.50026 566.3210       
122.8579 372.0530       116.4058 49.88175 5.866547 39.16203 7.350898 10.71972 
9.404896 
1 1 1 -11 17  31 f 26.34656 6.154339  180.2051       80.05498 151.1250       
115.7931 206.8321       110.8015 24.59535 8.811784 28.09777 8.593954 -3.502419 
12.30868 
1 1 1 -11 17  32 o 40.48724 5.089615  411.4215       82.59787 291.1882       
114.9239 539.8898       118.7943 33.01287 8.295264 47.96162 5.899605 -14.94875 
10.17923 
1 1 1 -11 17  33 f 20.16930 6.040221  79.96848       87.60067 78.02470       
137.2036 81.30615       113.8195 20.45028 8.808929 19.88832 8.266790 0.5619621 
12.08044 
1 1 1 -11 18  1  o 123.6809 4.138512  3210.777       184.9697 3313.045       
375.4980 3178.010       212.5461 124.6419 7.175706 122.7199 4.125334 1.921959 
8.277024 
1 1 1 -11 18  2  o 108.5508 3.638947  2513.072       164.1494 2322.436       
244.4995 2669.513       221.4874 104.7010 5.562218 112.4005 4.693554 -7.699448 
7.277893 
1 1 1 -11 18  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 18  4  o 104.4417 3.378104  2314.939       144.8371 2255.341       
228.7038 2354.848       187.1497 103.2394 5.276536 105.6441 4.219540 -2.404655 
6.756207 
1 1 1 -11 18  5  o 155.6985 4.467874  5080.802       213.6162 5245.057       
538.1820 5050.085       232.7348 156.5760 8.187005 154.8209 3.580575 1.755066 
8.935747 
1 1 1 -11 18  6  o 161.6591 4.579434  5081.815       180.6417 6158.158       
617.5149 4981.089       188.9051 169.4646 8.679399 153.8537 2.924534 15.61089 
9.158868 
1 1 1 -11 18  7  o 124.3388 2.635120  3256.757       123.8605 3261.735       
232.9839 3254.796       146.2380 124.2977 4.464615 124.3798 2.800473 
-0.8215332E-01 5.270240 
1 1 1 -11 18  8  o 122.4960 2.766461  3196.890       138.1686 3018.198       
220.3527 3312.667       177.3685 119.5758 4.389307 125.4161 3.368560 -5.840302 
5.532921 
1 1 1 -11 18  9  o 272.1992 4.294339  15476.39       395.2586 16140.51       
882.8500 15309.90       442.0347 274.9403 7.648381 269.4579 3.907387 5.482391 
8.588678 
1 1 1 -11 18  10 o 78.20317 2.461569  1299.490       79.73254 1212.566       
120.7754 1366.639       106.1523 75.83872 3.793225 80.56763 3.138267 -4.728905 
4.923137 
1 1 1 -11 18  11 o 114.0156 2.449094  2750.871       115.2864 2671.401       
178.7668 2807.454       150.8454 112.5588 3.782932 115.4724 3.111537 -2.913567 
4.898187 
1 1 1 -11 18  12 o 158.9273 2.447191  5258.969       151.1756 5492.099       
273.7937 5156.723       181.3215 161.3169 4.042636 156.5378 2.758997 4.779160 
4.894382 
1 1 1 -11 18  13 o 307.0132 4.006603  19858.11       452.4013 20330.56       
892.6292 19694.80       524.7955 308.6272 6.889029 305.3993 4.093013 3.227875 
8.013206 
1 1 1 -11 18  14 o 51.38382 3.234113  551.6371       69.07225 607.5774       
107.1827 511.9047       90.33075 53.56595 4.766032 49.20168 4.372972 4.364265 
6.468225 
1 1 1 -11 18  15 o 36.21942 4.446622  272.6893       64.04408 422.5556       
101.1961 172.5595       82.71678 44.59312 5.405266 27.84573 7.062074 16.74739 
8.893244 
1 1 1 -11 18  16 o 90.23366 2.040325  1716.176       75.90732 1713.597       
119.1016 1717.940       98.50559 90.14368 3.147048 90.32363 2.597650 
-0.1799545     4.080649 
1 1 1 -11 18  17 o 77.60376 2.636859  1292.331       84.57472 1118.428       
125.3426 1437.684       114.5925 72.68025 4.107742 82.52728 3.307347 -9.847023 
5.273717 
1 1 1 -11 18  18 o 84.16245 2.384940  1508.788       82.50193 1431.645       
128.8220 1562.430       107.4225 82.26413 3.729929 86.06075 2.973111 -3.796623 
4.769881 
1 1 1 -11 18  19 o 99.97440 2.440601  2114.416       99.84861 2109.332       
160.0628 2117.656       127.7528 99.79397 3.820386 100.1548 3.038222 
-0.3608704     4.881203 
1 1 1 -11 18  20 o 97.50183 2.832856  2021.467       112.9897 1999.687       
180.8627 2035.408       144.7020 96.94823 4.443551 98.05543 3.514989 -1.107193 
5.665711 
1 1 1 -11 18  21 o 143.5017 3.481348  4435.157       205.4028 4238.098       
320.7937 4572.084       267.4068 140.4896 5.438797 146.5138 4.347254 -6.024216 
6.962695 
1 1 1 -11 18  22 o 70.51427 2.949481  1020.611       82.93047 1185.474       
145.9063 941.9333       100.7948 74.42761 4.669400 66.60092 3.604783 7.826691 
5.898962 
1 1 1 -11 18  23 o 19.96690 5.697889  26.95966       72.17449 108.9973       
123.2733 -15.82994      89.02908 24.13200 9.030579 15.80180 6.950714 8.330205 
11.39578 
1 1 1 -11 18  24 o 74.57788 2.756280  1186.543       81.69014 1195.344       
140.3459 1182.034       100.4621 74.57257 4.482719 74.58318 3.208356 
-0.1061249E-01 5.512560 
1 1 1 -11 18  25 o 73.35690 3.212113  1153.505       96.60366 1198.985       
155.4075 1124.864       123.3255 74.32336 4.980439 72.39043 4.057820 1.932922 
6.424226 
1 1 1 -11 18  26 o 26.41571 5.998598  162.7689       75.59819 183.4095       
109.4248 143.9211       104.5646 27.73859 8.551907 25.09284 8.414132 2.645756 
11.99720 
1 1 1 -11 18  27 o 20.79358 5.845414  69.97324       76.62803 56.43398       
107.8915 83.75457       108.8517 20.07840 8.157343 21.50877 8.374557 -1.430372 
11.69083 
1 1 1 -11 18  28 o 20.12461 5.612547  69.85896       69.26015 68.37160       
91.58422 71.84599       105.8558 19.66461 7.676488 20.58460 8.189888 
-0.9199944     11.22509 
1 1 1 -11 18  29 o 74.39384 3.277050  1219.072       102.3017 1174.325       
144.4402 1264.112       144.9139 72.96246 4.715302 75.82522 4.552159 -2.862755 
6.554101 
1 1 1 -11 18  30 o 71.86613 3.442075  1143.497       103.4622 1234.740       
154.7634 1069.768       139.1189 74.36504 4.957019 69.36723 4.776973 4.997803 
6.884149 
1 1 1 -11 18  31 o 31.89554 5.199617  243.8782       82.81452 470.5331       
121.6674 48.21894       113.0425 44.60505 6.496974 19.18602 8.119938 25.41903 
10.39923 
1 1 1 -11 18  32 o 23.49750 5.714612  138.7533       77.90124 25.27963       
117.1893 228.5968       104.2759 18.05371 7.956553 28.94129 8.204903 -10.88758 
11.42922 
1 1 1 -11 18  33 o 20.07330 5.771489  90.06297       77.53275 52.96486       
121.2828 115.7015       100.8254 18.90675 8.214626 21.23985 8.109269 -2.333101 
11.54298 
1 1 1 -11 19  1  o 88.19138 3.385365  1613.164       123.1749 1828.323       
197.3895 1475.950       157.6318 92.86096 5.063047 83.52179 4.495367 9.339172 
6.770729 
1 1 1 -11 19  2  o 78.13119 3.644990  1276.515       116.4991 1371.110       
190.0384 1219.562       147.4560 80.34376 5.633916 75.91862 4.626315 4.425140 
7.289980 
1 1 1 -11 19  3  o 168.5997 5.554545  6040.943       356.8319 6239.021       
665.7824 5961.114       422.6644 169.7652 9.341246 167.4343 6.012738 2.330856 
11.10909 
1 1 1 -11 19  4  o 210.2794 5.099226  9478.052       424.6386 9361.063       
730.9454 9537.649       521.7054 208.6653 8.343645 211.8935 5.864469 -3.228271 
10.19845 
1 1 1 -11 19  5  o 136.9818 7.655352  4017.506       440.2578 4017.506       
440.2578 0.000000       0.000000 136.9818 7.655352 ?        ?        ? ? 
1 1 1 -11 19  6  o 171.1587 4.910220  6293.857       320.1801 6141.731       
589.4667 6357.524       381.3379 169.0917 8.303439 173.2257 5.243467 -4.134018 
9.820440 
1 1 1 -11 19  7  o 94.92513 2.839459  1949.998       101.6428 1790.382       
187.5515 2016.373       120.9438 91.98585 4.856469 97.86441 2.943607 -5.878563 
5.678918 
1 1 1 -11 19  8  o 175.7050 3.445480  6426.740       229.3937 6782.610       
435.0647 6289.710       269.9697 178.7232 5.798211 172.6868 3.723719 6.036392 
6.890960 
1 1 1 -11 19  9  o 21.20879 5.411698  79.68384       60.36114 88.66587       
98.57101 74.29491       76.35069 22.32595 8.117023 20.09163 7.159597 2.234318 
10.82340 
1 1 1 -11 19  10 o 38.21199 4.147535  298.1197       63.36165 413.3264       
103.5177 229.0995       80.12431 44.12263 5.588231 32.30135 6.130241 11.82128 
8.295070 
1 1 1 -11 19  11 o 167.2189 2.822545  5901.985       193.0490 5920.955       
310.3507 5890.013       246.5538 167.3242 4.417891 167.1136 3.514155 0.2105865 
5.645091 
1 1 1 -11 19  12 o 97.11158 2.380554  1962.903       95.47549 2127.725       
151.5634 1854.469       122.9331 100.4164 3.595097 93.80672 3.121448 6.609711 
4.761109 
1 1 1 -11 19  13 o 119.4943 2.190485  2985.119       105.6093 3098.191       
177.0934 2922.713       131.5633 121.1714 3.481153 117.8172 2.659789 3.354263 
4.380971 
1 1 1 -11 19  14 o 153.6746 2.531201  5038.167       158.5561 4761.455       
253.0733 5216.971       203.4326 150.0477 4.017336 157.3016 3.080411 -7.253922 
5.062402 
1 1 1 -11 19  15 o 15.35996 4.684818  -4.446654      53.88481 -9.729789      
86.58293 -1.106818      68.84128 16.04100 6.954669 14.67891 6.278746 1.362090 
9.369637 
1 1 1 -11 19  16 o 100.8603 2.577730  2152.855       106.1913 2141.711       
170.9823 2159.853       135.4898 100.5634 4.049788 101.1571 3.190296 
-0.5937500     5.155461 
1 1 1 -11 19  17 o 52.93430 3.395884  628.9773       71.20081 461.5032       
110.7363 747.0120       92.96530 46.45432 5.677862 59.41428 3.726929 -12.95996 
6.791768 
1 1 1 -11 19  18 o 56.77130 2.980996  659.0317       69.72464 853.2972       
111.3369 533.6826       89.43379 63.40660 4.182401 50.13599 4.248866 13.27061 
5.961991 
1 1 1 -11 19  19 o 69.99594 2.640772  1035.700       73.74584 1047.596       
125.9132 1029.488       90.98398 70.19661 4.272441 69.79528 3.104988 0.4013290 
5.281544 
1 1 1 -11 19  20 o 96.19179 2.726084  1963.505       108.0309 1972.346       
170.1063 1957.528       139.8554 96.26706 4.208853 96.11652 3.465790 0.1505432 
5.452168 
1 1 1 -11 19  21 o 63.81053 3.184490  856.8499       83.00232 927.1408       
136.0902 815.2151       104.7383 65.74993 4.930066 61.87114 4.032167 3.878796 
6.368981 
1 1 1 -11 19  22 o 46.88738 4.178319  471.2050       79.23205 502.9381       
132.6785 453.6159       98.77927 47.89873 6.597775 45.87604 5.128624 2.022686 
8.356639 
1 1 1 -11 19  23 o 72.02349 3.237025  1126.362       93.13316 1078.467       
156.0640 1152.852       116.0656 70.54345 5.269474 73.50353 3.761114 -2.960083 
6.474051 
1 1 1 -11 19  24 o 32.61740 5.288969  230.9975       68.47852 318.5508       
118.1713 186.7324       84.02451 36.87142 7.865938 28.36338 7.072467 8.508041 
10.57794 
1 1 1 -11 19  25 o 101.0632 2.990937  2223.662       123.1150 2105.084       
196.6114 2300.148       157.9055 98.47379 4.755640 103.6525 3.628594 -5.178719 
5.981873 
1 1 1 -11 19  26 o 69.77222 3.349065  1073.443       96.82281 924.5424       
141.1398 1205.808       133.0723 64.89449 5.180395 74.64996 4.245992 -9.755463 
6.698130 
1 1 1 -11 19  27 o 15.95064 5.039957  -56.01605      74.56886 -160.2533      
107.8496 39.45589       103.2155 12.98753 6.301164 18.91374 7.867656 -5.926215 
10.07991 
1 1 1 -11 19  28 o 76.05730 2.927255  1258.991       93.39519 1270.794       
135.0814 1248.181       129.2715 76.34926 4.214169 75.76534 4.063997 0.5839233 
5.854510 
1 1 1 -11 19  29 o 30.53838 6.163270  241.1297       83.10280 225.1502       
121.5692 255.1468       113.8595 29.44423 9.001054 31.63254 8.421676 -2.188309 
12.32654 
1 1 1 -11 19  30 o 27.68172 5.708124  195.3577       71.04311 231.1498       
102.2813 161.9930       98.75191 30.07902 7.970133 25.28442 8.173596 4.794603 
11.41625 
1 1 1 -11 19  31 o 23.91570 6.140259  139.5337       82.44408 207.1286       
120.1104 79.31402       113.3686 27.43953 9.017936 20.39187 8.335943 7.047661 
12.28052 
1 1 1 -11 19  32 o 28.91998 4.772847  203.0729       72.87442 14.85249       
100.6365 410.5822       105.6674 16.60691 7.339012 41.23305 6.104031 -24.62614 
9.545694 
1 1 1 -11 20  1  o 49.46993 5.263443  594.3109       93.61558 389.8239       
159.2156 702.3616       115.7355 41.42532 9.372419 57.51454 4.793027 -16.08922 
10.52689 
1 1 1 -11 20  2  o 30.67662 6.360685  208.4655       86.02663 211.3584       
136.2119 206.5460       110.9558 30.97055 9.540005 30.38270 8.415556 0.5878525 
12.72137 
1 1 1 -11 20  3  o 64.45919 4.223042  883.0877       108.6638 897.3331       
185.4090 875.6346       134.1105 64.69506 6.826227 64.22332 4.973830 0.4717407 
8.446085 
1 1 1 -11 20  4  o 84.01961 3.938739  1465.811       132.1368 1619.465       
229.6584 1389.773       161.5565 87.07626 6.282083 80.96296 4.752904 6.113304 
7.877479 
1 1 1 -11 20  5  o 26.83793 6.601518  134.3516       90.01254 188.8048       
143.9204 99.36629       115.3595 29.89322 9.871385 23.78265 8.767892 6.110565 
13.20304 
1 1 1 -11 20  6  o 257.6227 7.020023  14226.26       759.2793 0.000000       
0.000000 14226.26       759.2793 ?        ?        257.6227 7.020023 ? ? 
1 1 1 -11 20  7  o 67.95486 4.368663  992.5567       123.6519 879.9357       
178.6527 1096.120       171.3183 64.14320 6.634070 71.76653 5.685947 -7.623329 
8.737327 
1 1 1 -11 20  8  o 96.87802 3.008355  1992.450       121.0548 1935.430       
183.6848 2036.229       160.9532 95.58937 4.577040 98.16667 3.905319 -2.577301 
6.016711 
1 1 1 -11 20  9  o 138.3784 2.705958  3990.079       142.6914 4177.951       
267.6376 3915.469       168.6620 140.4429 4.539087 136.3139 2.947122 4.128983 
5.411916 
1 1 1 -11 20  10 o 78.77705 2.571642  1274.964       81.58000 1434.344       
139.6764 1192.446       100.5042 82.35726 4.039637 75.19684 3.183506 7.160423 
5.143284 
1 1 1 -11 20  11 o 88.49024 2.362316  1653.466       87.06836 1643.740       
131.4551 1661.068       116.2150 88.22858 3.548863 88.75191 3.118929 
-0.5233307     4.724632 
1 1 1 -11 20  12 o 195.0161 2.804716  8100.381       219.0605 7857.370       
367.0610 8234.813       273.0089 192.4956 4.541908 197.5365 3.291929 -5.040909 
5.609432 
1 1 1 -11 20  13 o 177.3979 3.271009  6640.474       227.8981 6789.917       
402.5026 6569.958       276.4861 178.5202 5.370347 176.2757 3.735958 2.244537 
6.542019 
1 1 1 -11 20  14 o 149.1605 2.952539  4728.793       179.2375 4657.631       
290.4661 4772.552       227.7740 148.0739 4.672380 150.2472 3.610928 -2.173355 
5.905077 
1 1 1 -11 20  15 o 98.90212 2.591856  2061.489       103.7505 2098.711       
171.8786 2040.153       130.1326 99.50260 4.114418 98.30164 3.153162 1.200958 
5.183712 
1 1 1 -11 20  16 o 77.45480 2.739493  1278.692       87.50124 1228.129       
135.7144 1314.665       114.4709 76.06386 4.249801 78.84574 3.458102 -2.781883 
5.478985 
1 1 1 -11 20  17 o 93.66533 2.289339  1862.979       87.82687 1815.173       
139.5814 1894.311       112.9998 92.59106 3.590704 94.73960 2.840973 -2.148537 
4.578677 
1 1 1 -11 20  18 o 62.72341 3.119185  847.8814       78.26459 802.3632       
130.4791 873.4620       97.81465 61.24999 5.074066 64.19684 3.629204 -2.946850 
6.238370 
1 1 1 -11 20  19 o 83.32786 3.197757  1503.203       110.1832 1290.372       
162.1785 1685.658       150.1598 77.62644 4.976278 89.02927 4.017371 -11.40283 
6.395515 
1 1 1 -11 20  20 f 22.82878 5.592697  91.05202       76.90337 -57.53127      
124.5593 182.5789       97.76102 17.40335 7.895106 28.25422 7.923406 -10.85087 
11.18539 
1 1 1 -11 20  21 o 68.91357 2.990951  1003.328       85.22038 1082.397       
134.6104 950.4383       110.0926 71.06699 4.511613 66.76016 3.927913 4.306824 
5.981902 
1 1 1 -11 20  22 o 75.97313 3.173573  1239.673       96.51791 1241.225       
162.9860 1238.835       119.7787 75.74477 5.125294 76.20149 3.744012 
-0.4567184     6.347146 
1 1 1 -11 20  23 o 94.08720 3.184207  1881.584       118.4036 1985.395       
207.8325 1831.700       144.0700 95.59032 5.178699 92.58407 3.706451 3.006256 
6.368414 
1 1 1 -11 20  24 o 86.15871 3.093196  1633.103       106.6951 1490.824       
175.3755 1716.709       134.4368 82.72754 5.049401 89.58987 3.574212 -6.862328 
6.186392 
1 1 1 -11 20  25 o 88.51008 3.040712  1699.900       109.7688 1673.203       
176.5876 1716.713       140.1317 87.61716 4.800561 89.40299 3.733408 -1.785828 
6.081425 
1 1 1 -11 20  26 o 73.88347 3.414504  1197.129       105.7105 1117.545       
149.7442 1276.191       149.2514 71.32096 5.000967 76.44598 4.650342 -5.125023 
6.829008 
1 1 1 -11 20  27 o 37.79560 5.248774  361.3402       81.75168 172.4982       
117.8357 536.5845       113.5140 26.56552 8.932137 49.02568 5.515018 -22.46016 
10.49755 
1 1 1 -11 20  28 o 21.46568 5.925578  87.74772       77.68251 116.2309       
112.8816 62.12276       107.0681 22.98633 8.633706 19.94503 8.118438 3.041300 
11.85116 
1 1 1 -11 20  29 o 19.95643 5.780027  62.26704       78.09771 30.26253       
114.6967 89.93162       106.6369 18.77686 8.070391 21.13601 8.276694 -2.359146 
11.56005 
1 1 1 -11 20  30 o 42.27439 4.947760  430.0357       83.71345 568.4324       
124.2845 315.1038       113.2595 49.44016 5.987675 35.10862 7.878392 14.33154 
9.895519 
1 1 1 -11 20  31 o 31.33478 6.216846  276.1010       85.33022 258.2554       
123.4460 292.4297       118.0829 30.08037 9.045412 32.58919 8.530955 -2.508820 
12.43369 
1 1 1 -11 20  32 f 20.95522 6.017338  102.8410       82.90125 127.8369       
120.1429 80.12288       114.5380 22.11643 8.748417 19.79401 8.264298 2.322420 
12.03468 
1 1 1 -11 21  1  f 22.37094 5.889076  80.86108       78.51488 -6.033549      
125.8102 136.2927       100.4842 19.45205 8.407732 25.28983 8.248327 -5.837780 
11.77815 
1 1 1 -11 21  2  o 77.39576 3.803418  1292.181       119.9401 1218.458       
191.3162 1339.919       153.9504 75.38905 6.044558 79.40247 4.618148 -4.013412 
7.606837 
1 1 1 -11 21  3  o 68.36432 3.935281  1011.804       109.3934 938.8356       
174.5338 1059.017       140.3919 66.14522 6.284956 70.58341 4.737623 -4.438194 
7.870562 
1 1 1 -11 21  4  o 67.48480 3.892377  972.7405       108.1284 967.6648       
170.2072 976.1751       140.0108 67.22639 6.030581 67.74321 4.922853 
-0.5168152     7.784753 
1 1 1 -11 21  5  o 113.3795 3.414319  2763.971       160.0277 2515.543       
241.7849 2957.632       213.4763 108.6488 5.300603 118.1102 4.305101 -9.461380 
6.828638 
1 1 1 -11 21  6  o 73.25417 3.682833  1170.145       108.8252 1032.080       
174.2270 1258.470       139.3533 69.46074 5.974437 77.04761 4.308033 -7.586868 
7.365667 
1 1 1 -11 21  7  o 66.09322 3.957520  981.9819       102.7231 764.7170       
166.7115 1114.957       130.4237 59.65936 6.655920 72.52708 4.283290 -12.86772 
7.915039 
1 1 1 -11 21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 21  9  f 83.73639 2.979499  1485.418       103.6678 1489.944       
158.4364 1482.030       137.0869 83.79134 4.503777 83.68143 3.902007 0.1099014 
5.958999 
1 1 1 -11 21  10 o 90.97801 2.616535  1786.301       95.97746 1612.154       
155.1329 1894.293       122.1641 87.20643 4.237176 94.74960 3.071051 -7.543175 
5.233070 
1 1 1 -11 21  11 o 65.02037 2.790696  888.5656       75.31978 938.2680       
116.8464 853.2317       98.51957 66.52957 4.183327 63.51117 3.694821 3.018398 
5.581391 
1 1 1 -11 21  12 o 89.15030 2.404664  1644.010       87.20096 1820.470       
145.2487 1544.566       109.0376 92.75089 3.730056 85.54970 3.035840 7.201195 
4.809329 
1 1 1 -11 21  13 o 44.37725 3.664291  437.5834       65.37057 330.8477       
99.21239 519.4744       86.90182 39.27067 6.017536 49.48384 4.182988 -10.21317 
7.328582 
1 1 1 -11 21  14 o 49.71443 3.225569  511.4132       66.35734 618.1126       
105.1391 440.7723       85.54837 53.89496 4.646622 45.53389 4.475051 8.361069 
6.451138 
1 1 1 -11 21  15 o 39.98886 4.070983  333.8170       63.69698 506.6065       
100.5993 218.1863       82.29490 48.72938 4.917284 31.24834 6.489370 17.48104 
8.141966 
1 1 1 -11 21  16 o 102.4674 2.220460  2178.711       90.68222 2349.528       
157.5027 2094.010       110.9092 105.3116 3.562320 99.62315 2.651725 5.688461 
4.440920 
1 1 1 -11 21  17 o 30.37355 4.807258  222.7602       62.36222 109.8579       
97.61967 300.6041       81.05842 23.29425 8.115675 37.45285 5.155067 -14.15859 
9.614515 
1 1 1 -11 21  18 o 73.57329 2.804426  1172.708       83.80154 1060.095       
133.0337 1246.791       107.9007 70.45029 4.497798 76.69630 3.350973 -6.246010 
5.608851 
1 1 1 -11 21  19 o 48.05365 4.202084  497.8177       83.18514 518.1636       
131.9579 484.4005       107.1590 48.72303 6.450927 47.38427 5.386612 1.338768 
8.404168 
1 1 1 -11 21  20 o 21.51979 5.935981  73.45442       77.03103 52.62325       
122.3093 87.14934       99.17051 21.27703 8.671548 21.76255 8.108498 
-0.4855175     11.87196 
1 1 1 -11 21  21 o 96.56452 3.285849  2005.554       129.5106 2016.913       
209.1994 1998.495       164.9123 96.50208 5.163509 96.62697 4.065143 
-0.1248932     6.571698 
1 1 1 -11 21  22 o 24.62925 5.954304  135.2703       74.05772 94.77872       
125.7942 156.7486       91.61751 23.22779 9.011185 26.03071 7.785467 -2.802919 
11.90861 
1 1 1 -11 21  23 o 67.43828 3.101305  975.4536       83.55325 1002.886       
142.5825 961.1066       103.1125 67.87445 5.003580 67.00211 3.665591 0.8723450 
6.202610 
1 1 1 -11 21  24 o 75.26341 3.352414  1230.164       101.4166 1243.417       
169.9601 1222.836       126.3824 75.18793 5.384183 75.33889 3.995659 
-0.1509552     6.704828 
1 1 1 -11 21  25 o 67.70937 2.880045  989.0591       81.09488 1010.636       
123.9827 972.9256       107.2083 68.22365 4.328598 67.19510 3.800247 1.028549 
5.760090 
1 1 1 -11 21  26 o 31.08377 5.839323  242.5681       79.05877 185.2159       
116.0972 292.1606       107.9579 27.40061 8.862870 34.76692 7.605281 -7.366304 
11.67865 
1 1 1 -11 21  27 o 46.35143 4.272866  487.2671       83.03116 524.1732       
120.2790 453.6686       114.7627 48.07304 5.959493 44.62983 6.124867 3.443214 
8.545732 
1 1 1 -11 21  28 o 39.21326 5.096458  369.5804       81.89046 359.9716       
119.2910 378.1444       112.6180 38.18296 7.711465 40.24356 6.665498 -2.060596 
10.19292 
1 1 1 -11 21  29 o 15.87423 5.125400  -43.59647      75.99607 5.567825       
115.8156 -80.77232      100.7100 17.77937 7.863059 13.96909 6.576564 3.810280 
10.25080 
1 1 1 -11 21  30 o 59.50316 3.631503  804.9180       90.43348 862.7854       
134.6017 757.3041       122.0955 61.35720 5.225238 57.64912 5.044615 3.708084 
7.263006 
1 1 1 -11 21  31 o 17.80307 5.545915  27.12714       80.63029 42.30042       
118.0941 13.87724       110.3557 18.51279 8.074966 17.09335 7.604184 1.419443 
11.09183 
1 1 1 -11 22  1  o 73.23089 3.714220  1188.724       108.9318 992.6632       
173.7915 1315.595       139.8024 67.82402 6.103319 78.63776 4.234525 -10.81374 
7.428439 
1 1 1 -11 22  2  o 86.92808 3.602341  1605.250       125.6729 1651.559       
212.5944 1580.375       155.8117 87.65900 5.776653 86.19715 4.305545 1.461853 
7.204682 
1 1 1 -11 22  3  o 74.56474 3.824073  1207.733       116.1262 1112.652       
184.0644 1270.602       149.6733 71.89210 6.098312 77.23738 4.615703 -5.345284 
7.648145 
1 1 1 -11 22  4  o 69.50854 3.800764  996.0724       107.7235 1192.261       
180.1283 886.8383       134.4078 74.54630 5.755419 64.47080 4.965721 10.07549 
7.601528 
1 1 1 -11 22  5  o 86.81187 3.606290  1665.815       123.1965 1429.377       
206.0550 1797.354       153.6913 81.56363 6.017383 92.06010 3.976481 -10.49648 
7.212579 
1 1 1 -11 22  6  f 101.6130 3.855778  2260.673       158.3376 1990.412       
252.0621 2436.827       203.4987 96.18326 6.242077 107.0428 4.528198 -10.85951 
7.711556 
1 1 1 -11 22  7  o 123.5580 4.236474  3200.759       185.1927 3423.772       
390.1749 3135.907       210.4033 125.5458 7.402495 121.5702 4.122366 3.975670 
8.472947 
1 1 1 -11 22  8  o 62.07558 3.986102  806.6334       97.32019 878.6845       
173.7834 773.7134       117.4674 63.85141 6.482742 60.29976 4.640051 3.551647 
7.972203 
1 1 1 -11 22  9  o 85.86217 2.970270  1552.224       105.4835 1638.286       
165.7913 1493.692       136.7272 87.77457 4.498980 83.94977 3.879328 3.824806 
5.940539 
1 1 1 -11 22  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 22  11 o 72.58430 3.081472  1118.465       93.82294 1156.250       
136.1709 1084.316       129.4551 73.74126 4.398401 71.42734 4.316936 2.313919 
6.162944 
1 1 1 -11 22  12 o 75.12503 2.633665  1199.485       82.47381 1165.411       
123.2425 1227.120       110.9887 74.10931 3.961035 76.14074 3.472025 -2.031425 
5.267329 
1 1 1 -11 22  13 o 77.82124 2.725254  1241.927       86.65868 1471.323       
143.8933 1111.376       108.5522 83.21242 4.118827 72.43006 3.569775 10.78236 
5.450508 
1 1 1 -11 22  14 o 81.75018 2.552673  1411.670       86.48512 1448.243       
134.1904 1385.685       113.1104 82.59290 3.869899 80.90747 3.329930 1.685432 
5.105345 
1 1 1 -11 22  15 o 31.32783 4.862329  224.5312       62.39747 184.1788       
98.27679 251.7841       80.76492 28.45749 7.932568 34.19816 5.625240 -5.740673 
9.724657 
1 1 1 -11 22  16 o 113.7691 2.666180  2700.174       121.9739 2924.918       
207.9176 2582.240       150.6141 117.1335 4.227966 110.4048 3.249366 6.728622 
5.332361 
1 1 1 -11 22  17 o 38.61170 5.401063  341.2343       85.14915 289.3681       
126.1581 384.6306       115.3982 35.25776 8.589905 41.96565 6.549769 -6.707893 
10.80213 
1 1 1 -11 22  18 o 89.92451 3.036205  1725.129       114.0203 1773.161       
171.2098 1686.848       152.8464 90.97099 4.482773 88.87803 4.096205 2.092957 
6.072409 
1 1 1 -11 22  19 o 16.02454 5.124834  -51.32602      69.03287 0.7284766      
120.7441 -76.60397      84.14100 18.97714 8.220029 13.07194 6.122648 5.905196 
10.24967 
1 1 1 -11 22  20 o 31.08567 6.027014  218.9285       80.05816 285.4861       
128.3131 176.5027       102.4441 34.60779 8.806871 27.56354 8.230348 7.044250 
12.05403 
1 1 1 -11 22  21 o 44.70237 4.412225  461.4947       77.33710 346.2818       
114.7101 557.5037       104.7145 38.70187 7.326137 50.70286 4.919210 -12.00098 
8.824450 
1 1 1 -11 22  22 o 42.92574 4.258546  374.7546       73.27152 533.6213       
129.3060 299.6171       88.92638 48.97864 6.288296 36.87284 5.744405 12.10580 
8.517092 
1 1 1 -11 22  23 o 79.28058 3.264945  1365.329       103.9658 1368.743       
174.1667 1363.439       129.5860 78.95753 5.254032 79.60364 3.877450 
-0.6461105     6.529891 
1 1 1 -11 22  24 o 46.50377 4.538328  481.2054       85.23438 514.9151       
142.9131 462.5951       106.1870 47.33157 7.191875 45.67596 5.537384 1.655609 
9.076656 
1 1 1 -11 22  25 o 33.80193 5.709120  272.2701       79.75127 352.5354       
123.7311 215.2244       104.3101 38.04897 7.998831 29.55488 8.148308 8.494091 
11.41824 
1 1 1 -11 22  26 o 46.27828 4.347311  486.6368       84.32849 525.9431       
121.8435 450.4978       116.8313 48.13789 6.028878 44.41867 6.264908 3.719219 
8.694621 
1 1 1 -11 22  27 o 18.06947 5.510695  8.085842       78.28317 67.34206       
113.5186 -45.64680      108.0984 20.41567 8.342864 15.72328 7.201919 4.692390 
11.02139 
1 1 1 -11 22  28 o 34.12758 5.247131  280.2293       81.92211 506.0869       
122.6970 98.55300       110.0438 46.64682 6.265172 21.60834 8.418859 25.03848 
10.49426 
1 1 1 -11 22  29 o 46.44261 4.387774  496.9546       84.45865 620.0568       
129.8643 406.7196       111.1846 51.47639 6.009008 41.40883 6.395473 10.06756 
8.775549 
1 1 1 -11 22  30 o 49.63530 4.777133  634.8864       90.03370 445.7609       
135.4034 784.7750       120.5421 40.78137 8.196749 58.48923 4.908899 -17.70786 
9.554265 
1 1 1 -11 22  31 o 18.75666 6.369451  -87.61631      130.0396 45.22519       
232.6042 -148.0122      156.8391 21.87582 10.23050 15.63750 7.590555 6.238325 
12.73890 
1 1 1 -11 23  1  f 127.3008 4.051227  3580.566       190.8140 3348.971       
362.9733 3669.010       224.3098 123.4360 7.004124 131.1656 4.073328 -7.729546 
8.102454 
1 1 1 -11 23  2  o 27.21897 6.266481  156.2509       79.71763 201.9524       
132.8909 130.5610       99.63513 29.80266 9.466528 24.63528 8.213403 5.167376 
12.53296 
1 1 1 -11 23  3  o 98.31888 3.985194  2101.040       160.4371 2006.792       
253.3067 2164.176       207.3236 96.14763 6.275224 100.4901 4.914128 -4.342499 
7.970388 
1 1 1 -11 23  4  o 102.5864 3.842419  2287.900       161.1980 2145.081       
254.0164 2384.193       208.5779 99.56860 6.076596 105.6043 4.704437 -6.035690 
7.684839 
1 1 1 -11 23  5  o 30.60590 6.153198  218.7731       82.77821 177.9966       
134.8627 243.4219       104.8536 28.56462 9.555707 32.64718 7.754730 -4.082567 
12.30640 
1 1 1 -11 23  6  o 64.64412 4.035035  901.1318       105.8070 894.5935       
173.0025 905.0387       133.7344 64.24223 6.414353 65.04600 4.897151 
-0.8037643     8.070069 
1 1 1 -11 23  7  o 42.39017 4.994774  361.2231       83.11355 536.1891       
146.9166 278.8717       100.7928 49.58244 7.057716 35.19790 7.069634 14.38454 
9.989549 
1 1 1 -11 23  8  o 84.05756 3.650069  1373.977       114.0045 1827.122       
233.6170 1232.333       130.6126 91.99035 6.048994 76.12477 4.086769 15.86558 
7.300138 
1 1 1 -11 23  9  o 66.62765 4.035406  983.1783       101.8155 888.6716       
185.0612 1024.202       121.9272 63.88095 6.900254 69.37434 4.186226 -5.493397 
8.070811 
1 1 1 -11 23  10 o 63.26122 3.519931  870.9114       91.85293 726.3378       
134.5277 997.1708       125.7186 58.12152 5.513101 68.40092 4.377827 -10.27940 
7.039862 
1 1 1 -11 23  11 o 107.0091 3.170844  2446.629       141.4532 2413.573       
212.1545 2473.085       189.7975 106.2494 4.756056 107.7688 4.194870 -1.519417 
6.341687 
1 1 1 -11 23  12 o 53.99232 5.203602  625.9490       117.9546 625.9490       
117.9546 0.000000       0.000000 53.99232 5.203602 ?        ?        ? ? 
1 1 1 -11 23  13 o 73.90440 3.087115  1166.281       95.66364 1156.630       
138.4937 1175.088       132.2966 73.57851 4.483325 74.23030 4.245106 
-0.6517944     6.174231 
1 1 1 -11 23  14 o 105.3400 2.509681  2338.680       108.1700 2435.734       
175.2077 2278.902       137.5047 106.9657 3.901481 103.7142 3.157915 3.251534 
5.019361 
1 1 1 -11 23  15 o 22.77555 5.156268  113.4508       63.86594 -16.31340      
112.4317 175.2690       77.60141 17.80065 7.820584 27.75046 6.722117 -9.949814 
10.31254 
1 1 1 -11 23  16 o 31.17358 6.241974  226.5898       88.28561 154.9252       
125.7300 296.2929       123.9974 26.73489 9.220289 35.61228 8.416368 -8.877392 
12.48395 
1 1 1 -11 23  17 o 99.69864 3.046937  2120.256       127.1198 2010.897       
171.5485 2253.432       189.3101 96.90465 4.216610 102.4926 4.399489 -5.587975 
6.093874 
1 1 1 -11 23  18 o 27.86840 6.096421  167.8854       82.06933 262.2709       
123.5561 93.36409       109.7872 33.22031 8.740431 22.51649 8.501192 10.70383 
12.19284 
1 1 1 -11 23  19 f 45.08715 4.548542  451.7805       84.72683 438.6512       
130.6694 461.3047       111.2931 44.29444 7.026607 45.87985 5.777864 -1.585411 
9.097083 
1 1 1 -11 23  20 o 70.75620 3.068839  1081.993       90.87257 1037.936       
132.1106 1121.558       125.1945 69.29742 4.540898 72.21497 4.129326 -2.917557 
6.137678 
1 1 1 -11 23  21 o 90.84583 3.109300  1776.552       113.8716 1815.446       
190.2207 1754.829       142.1570 91.24934 4.965343 90.44231 3.743844 0.8070297 
6.218601 
1 1 1 -11 23  22 o 16.38953 5.035358  -9.445109      67.95328 -153.0615      
127.0750 48.06971       80.41705 14.78832 7.097616 17.99074 7.144451 -3.202414 
10.07072 
1 1 1 -11 23  23 o 57.11494 3.803908  730.5690       86.40755 690.9411       
145.0802 752.3530       107.5667 55.39514 6.238176 58.83474 4.354769 -3.439598 
7.607815 
1 1 1 -11 23  24 o 27.72283 5.769268  192.0235       71.14295 162.5620       
120.6817 207.7152       88.07417 26.04023 9.028207 29.40542 7.185351 -3.365192 
11.53854 
1 1 1 -11 23  25 o 27.65470 6.218740  191.1291       80.63443 204.6674       
121.7027 180.5361       107.6539 28.38406 9.063673 26.92535 8.517086 1.458714 
12.43748 
1 1 1 -11 23  26 o 68.52227 2.834366  1025.980       81.27518 930.3698       
114.5393 1122.942       115.3459 65.18473 4.185329 71.85981 3.823288 -6.675079 
5.668731 
1 1 1 -11 23  27 o 87.13582 3.407074  1693.820       124.2875 1696.932       
182.6300 1691.135       169.6274 87.01312 4.999291 87.25851 4.630302 
-0.2453918     6.814148 
1 1 1 -11 23  28 o 57.33497 3.702111  748.6362       88.86696 743.7584       
130.1684 752.8943       121.6204 56.98112 5.441211 57.68882 5.021525 
-0.7077065     7.404222 
1 1 1 -11 23  29 o 49.79388 4.327567  597.8190       88.93194 547.1785       
133.9661 637.7183       118.9127 47.22780 6.756447 52.35996 5.409413 -5.132156 
8.655133 
1 1 1 -11 23  30 o 32.23769 5.832837  298.4983       80.95089 233.2144       
123.2786 347.9870       107.3341 27.93278 9.136098 36.54261 7.253941 -8.609823 
11.66567 
1 1 1 -11 24  1  o 58.79823 4.136872  719.6458       97.56400 881.1288       
170.6023 641.1673       118.9315 63.21986 6.427652 54.37660 5.209620 8.843262 
8.273745 
1 1 1 -11 24  2  o 113.1536 3.327800  2789.948       152.1709 2624.324       
247.2541 2890.930       193.0660 110.0015 5.353847 116.3057 3.953900 -6.304222 
6.655599 
1 1 1 -11 24  3  o 29.93323 6.737201  209.2997       94.58842 184.6257       
155.1034 223.9097       119.3509 28.98088 10.21683 30.88558 8.784986 -1.904703 
13.47440 
1 1 1 -11 24  4  o 117.0597 3.518373  2973.716       166.2971 2868.502       
272.7079 3036.002       209.8238 114.9653 5.650048 119.1541 4.194372 -4.188774 
7.036747 
1 1 1 -11 24  5  o 39.30694 5.699530  383.9292       91.64956 202.6114       
140.5127 518.1833       120.9092 29.79575 9.753820 48.81813 5.899283 -19.02238 
11.39906 
1 1 1 -11 24  6  o 75.65108 3.680878  1227.629       112.5438 1257.876       
187.0812 1210.475       140.8884 76.11245 5.854578 75.18972 4.463113 0.9227295 
7.361757 
1 1 1 -11 24  7  o 46.91202 4.718584  485.2305       88.93174 471.3932       
147.5081 493.1324       111.4683 46.08088 7.624582 47.74316 5.561105 -1.662285 
9.437168 
1 1 1 -11 24  8  o 49.27262 4.473811  546.2687       85.84503 480.5917       
147.0720 580.2077       105.7239 46.56870 7.522410 51.97654 4.844922 -5.407837 
8.947621 
1 1 1 -11 24  9  o 41.33340 5.535314  426.1350       85.65887 284.2406       
148.2288 497.2788       104.9587 34.63301 9.770890 48.03380 5.204663 -13.40079 
11.07063 
1 1 1 -11 24  10 o 45.72831 4.366524  448.4622       82.65674 498.1390       
130.4925 415.1753       106.8183 47.71537 6.514008 43.74125 5.816685 3.974121 
8.733047 
1 1 1 -11 24  11 o 26.34300 5.727801  143.7582       75.46645 243.9863       
110.2011 55.24697       103.5596 32.40972 8.110561 20.27628 8.090094 12.13344 
11.45560 
1 1 1 -11 24  12 o 68.40010 3.381482  1008.813       96.73734 920.7355       
137.9311 1094.078       135.7104 65.36876 5.025890 71.43145 4.525274 -6.062691 
6.762964 
1 1 1 -11 24  13 o 22.24347 8.197053  94.16748       100.8185 0.000000       
0.000000 94.16748       100.8185 ?        ?        22.24347 8.197053 ? ? 
1 1 1 -11 24  14 o 24.57489 6.308111  87.22350       93.50061 -29.31627      
127.6953 221.9235       137.2845 18.41427 8.186152 30.73551 9.599791 -12.32124 
12.61622 
1 1 1 -11 24  15 o 19.02387 5.801096  -4.468293      85.94366 49.04972       
123.5495 -54.64499      119.6306 21.09906 8.676458 16.94869 7.702592 4.150370 
11.60219 
1 1 1 -11 24  16 o 33.10505 5.683623  252.6343       89.24606 87.09580       
126.4903 416.7291       125.9375 22.94488 9.008010 43.26521 6.933256 -20.32033 
11.36725 
1 1 1 -11 24  17 o 145.8396 3.261992  4578.880       197.1153 4674.093       
305.5196 4510.985       257.9942 146.8227 4.956408 144.8566 4.242216 1.966080 
6.523984 
1 1 1 -11 24  18 o 94.69676 3.422321  1949.123       135.7944 1848.759       
194.3770 2044.806       189.7897 92.19334 5.021881 97.20018 4.650788 -5.006844 
6.844642 
1 1 1 -11 24  19 o 89.56679 2.911541  1728.389       109.2852 1720.711       
159.1660 1735.237       150.3185 89.30687 4.245087 89.82671 3.985916 
-0.5198364     5.823082 
1 1 1 -11 24  20 o 40.61540 5.176106  384.7116       83.35365 370.5609       
134.6415 393.5053       106.1385 39.17374 8.428214 42.05706 6.011115 -2.883320 
10.35221 
1 1 1 -11 24  21 o 29.14905 5.887355  216.5219       77.86983 139.1546       
131.1358 258.6612       96.78020 25.22361 9.338851 33.07450 7.171447 -7.850891 
11.77471 
1 1 1 -11 24  22 o 39.60498 5.308082  395.6503       80.23978 292.6021       
134.9803 451.9659       99.78479 34.00053 9.223045 45.20943 5.257222 -11.20890 
10.61616 
1 1 1 -11 24  23 o 114.8765 2.813666  2865.755       128.0218 2849.385       
220.3198 2874.101       157.3036 114.0051 4.603099 115.7480 3.237027 -1.742920 
5.627332 
1 1 1 -11 24  24 o 69.17833 3.553701  1063.857       100.1528 1054.360       
161.5562 1069.784       127.6384 68.45572 5.621276 69.90095 4.349301 -1.445229 
7.107402 
1 1 1 -11 24  25 o 71.43176 3.019688  1111.369       89.93108 944.2089       
122.1724 1309.062       132.8625 65.48299 4.443915 77.38052 4.089704 -11.89752 
6.039376 
1 1 1 -11 24  26 o 32.91315 5.819451  274.7512       81.78049 364.7803       
120.7466 198.4533       111.1577 38.20347 7.798069 27.62282 8.640265 10.58065 
11.63890 
1 1 1 -11 24  27 o 27.18114 5.956120  193.2058       75.20010 225.3900       
110.5121 165.4524       102.6235 29.11345 8.509883 25.24883 8.335666 3.864622 
11.91224 
1 1 1 -11 24  28 o 17.98223 5.568884  25.53288       80.27434 42.00642       
117.1910 10.97067       110.1829 18.74464 8.108458 17.21981 7.635626 1.524832 
11.13777 
1 1 1 -11 24  29 o 39.38529 5.354363  432.2371       84.80991 248.5041       
125.0117 588.9070       115.4382 28.85715 9.183164 49.91343 5.508752 -21.05628 
10.70873 
1 1 1 -11 25  1  o 100.1241 3.403949  2197.650       141.3717 2013.977       
211.0387 2347.170       190.4087 95.98384 5.237029 104.2643 4.349829 -8.280464 
6.807899 
1 1 1 -11 25  2  o 54.18352 4.244517  609.0412       91.87053 780.2305       
163.0346 529.3905       111.2081 59.16242 6.563795 49.20462 5.383336 9.957802 
8.489035 
1 1 1 -11 25  3  o 34.14408 5.517830  225.6328       81.77737 471.3679       
142.1208 103.9994       99.98860 45.69207 7.408632 22.59610 8.179118 23.09597 
11.03566 
1 1 1 -11 25  4  o 62.85193 3.908167  857.4693       99.29251 882.6171       
165.0105 843.1952       124.3183 63.24746 6.214262 62.45640 4.741099 0.7910538 
7.816334 
1 1 1 -11 25  5  o 54.35871 4.492190  654.3113       95.97934 646.2659       
166.9619 658.2823       117.2978 53.62177 7.416470 55.09565 5.071002 -1.473885 
8.984381 
1 1 1 -11 25  6  o 20.67741 6.108377  41.60369       86.02258 -7.126519      
151.8926 64.61353       104.3744 20.70388 9.093076 20.65094 8.158741 
0.5294609E-01  12.21675 
1 1 1 -11 25  7  o 88.16954 3.662623  1699.043       130.2244 1635.690       
213.9070 1736.351       164.1487 86.43578 5.894574 89.90331 4.348935 -3.467522 
7.325247 
1 1 1 -11 25  8  o 38.63142 5.620440  370.4022       85.01540 258.2271       
143.0059 431.7161       105.7269 32.77971 9.711220 44.48314 5.661233 -11.70342 
11.24088 
1 1 1 -11 25  9  o 65.54912 4.003218  956.3737       105.8460 858.9937       
169.9533 1018.078       135.2863 62.37783 6.489638 68.72041 4.689095 -6.342575 
8.006435 
1 1 1 -11 25  10 o 24.16698 5.718316  112.3579       82.97620 -68.11603      
136.2085 218.8546       104.6321 17.80402 8.125441 30.52993 8.048214 -12.72591 
11.43663 
1 1 1 -11 25  11 o 19.64104 5.673531  40.87263       74.46166 69.28206       
108.5381 15.61321       102.3441 21.13229 8.329066 18.14980 7.706002 2.982483 
11.34706 
1 1 1 -11 25  12 o 48.08805 4.108098  506.3733       82.91927 521.2953       
117.8964 491.7665       116.6448 48.80826 5.753448 47.36784 5.865469 1.440418 
8.216196 
1 1 1 -11 25  13 o 34.48984 5.875942  280.8201       83.55700 290.8169       
127.3906 273.2718       110.6953 34.86922 8.716663 34.11045 7.882039 0.7587700 
11.75188 
1 1 1 -11 25  14 o 50.73296 4.719621  574.6749       99.27734 562.8994       
151.6044 583.5156       131.3603 50.02971 7.217803 51.43621 6.082977 -1.406506 
9.439241 
1 1 1 -11 25  15 o 105.3517 4.442286  2395.511       196.4839 0.000000       
0.000000 2395.511       196.4839 ?        ?        105.3517 4.442286 ? ? 
1 1 1 -11 25  16 o 61.64251 4.299579  825.3875       108.3005 913.8055       
177.8851 773.3112       136.5179 63.90875 6.629797 59.37627 5.476431 4.532482 
8.599157 
1 1 1 -11 25  17 o 49.58626 4.441783  548.3324       92.40588 523.1710       
130.0012 574.0275       131.3729 48.38102 6.400196 50.79150 6.160783 -2.410484 
8.883567 
1 1 1 -11 25  18 o 27.94418 5.942870  185.5118       83.54169 71.47559       
124.0322 280.2061       113.0251 21.73347 8.779515 34.15488 8.011925 -12.42140 
11.88574 
1 1 1 -11 25  19 o 48.70680 4.501845  533.9200       85.56573 351.2050       
114.9711 760.7772       128.1085 38.60211 7.358432 58.81149 5.188440 -20.20938 
9.003690 
1 1 1 -11 25  20 o 26.53441 5.120334  135.1724       83.86152 -134.2213      
127.6391 339.7930       111.2410 15.15529 7.234872 37.91352 7.247613 -22.75823 
10.24067 
1 1 1 -11 25  21 o 32.77749 5.794230  268.6078       77.71636 245.6844       
130.4725 281.2137       96.75338 31.07123 9.290398 34.48375 6.926827 -3.412521 
11.58846 
1 1 1 -11 25  22 o 23.86731 6.159708  128.3621       77.81811 124.8207       
134.8906 130.1287       95.27003 24.18030 9.341496 23.55433 8.031469 0.6259727 
12.31942 
1 1 1 -11 25  23 o 38.41617 5.515288  347.3255       82.55149 419.0140       
141.9590 310.6968       101.4726 40.79094 8.562227 36.04139 6.954271 4.749550 
11.03058 
1 1 1 -11 25  24 o 31.55818 5.526658  261.9126       74.28290 184.7066       
127.5372 301.5505       91.38315 26.83673 9.283332 36.27963 5.999628 -9.442898 
11.05332 
1 1 1 -11 25  25 o 38.58511 5.240925  369.4417       82.35463 294.1825       
118.4573 439.8473       114.5738 33.70338 8.393509 43.46684 6.278391 -9.763454 
10.48185 
1 1 1 -11 25  26 o 64.55067 3.518335  942.0566       95.30611 922.5336       
135.7162 961.0521       133.8692 63.80614 5.066290 65.29520 4.883381 -1.489052 
7.036669 
1 1 1 -11 25  27 o 16.69499 5.287513  0.6691525E-01  76.28988 -17.49306      
116.2409 13.35400       101.1141 16.61746 7.562889 16.77252 7.391474 
-0.1550541     10.57503 
1 1 1 -11 25  28 o 37.78726 5.248423  371.6368       79.98438 396.9617       
119.6182 351.1570       107.5688 38.77116 7.620233 36.80336 7.219130 1.967793 
10.49685 
1 1 1 -11 26  1  o 18.99673 5.824697  4.703896       88.84573 -93.83649      
147.3128 61.03816       111.3832 17.53309 8.177003 20.46037 8.297289 -2.927280 
11.64939 
1 1 1 -11 26  2  o 85.32697 3.885103  1582.744       129.9553 1684.504       
231.5459 1535.948       157.0180 86.55802 6.371634 84.09592 4.447290 2.462097 
7.770207 
1 1 1 -11 26  3  o 42.67822 5.592006  419.1575       93.97237 461.0597       
158.8138 396.5822       116.5696 43.40934 9.014904 41.94709 6.619187 1.462250 
11.18401 
1 1 1 -11 26  4  o 29.76610 6.274806  226.2127       90.12663 108.1335       
151.8349 290.4503       111.9902 24.61879 9.804303 34.91341 7.833798 -10.29462 
12.54961 
1 1 1 -11 26  5  o 18.48697 5.661178  4.108296       78.08066 34.13110       
129.6180 -12.99116      97.82072 20.52611 8.691385 16.44784 7.256416 4.078272 
11.32236 
1 1 1 -11 26  6  o 33.22728 6.467392  257.8901       89.19288 319.4459       
154.3358 227.0219       109.2919 35.71759 9.935744 30.73697 8.281885 4.980623 
12.93478 
1 1 1 -11 26  7  o 22.53655 6.080962  64.94132       81.10613 179.1905       
135.2057 0.7190176      101.3705 27.76830 9.562902 17.30480 7.514206 10.46350 
12.16192 
1 1 1 -11 26  8  o 55.64539 4.421379  661.1586       99.10586 786.2906       
170.7514 597.5898       121.7032 59.13388 6.877792 52.15689 5.557907 6.976994 
8.842757 
1 1 1 -11 26  9  o 42.66896 5.833073  457.9009       95.59248 333.2953       
160.3017 526.6645       119.0827 36.46783 10.11992 48.87009 5.803988 -12.40226 
11.66615 
1 1 1 -11 26  10 o 55.44023 4.266943  670.0186       95.47106 719.6381       
160.6760 642.9400       118.6965 56.63603 6.757393 54.24444 5.211992 2.391590 
8.533887 
1 1 1 -11 26  11 o 66.80473 3.281414  967.5746       92.00762 938.4337       
129.7070 997.0883       130.5338 65.76604 4.697674 67.84342 4.582856 -2.077377 
6.562828 
1 1 1 -11 26  12 o 45.06701 5.053619  462.2928       91.04944 477.6990       
146.2153 452.5351       116.3639 45.00351 8.027400 45.13050 6.141426 
-0.1269913     10.10724 
1 1 1 -11 26  13 o 49.72598 4.663661  546.6074       96.14075 607.1512       
150.8620 505.2048       124.7551 51.84221 6.931345 47.60974 6.241423 4.232468 
9.327321 
1 1 1 -11 26  14 o 96.90205 3.944950  2077.345       159.8146 1981.819       
233.2234 2161.907       219.4307 94.53974 5.875958 99.26437 5.265323 -4.724625 
7.889900 
1 1 1 -11 26  15 o 33.92090 6.455792  287.0271       93.77703 266.9980       
143.9706 301.7873       123.5913 32.61586 9.760542 35.22594 8.452269 -2.610081 
12.91158 
1 1 1 -11 26  16 o 83.64999 3.722012  1540.124       130.6953 1554.354       
186.7206 1526.456       182.9978 84.00617 5.294221 83.29380 5.233042 0.7123718 
7.444025 
1 1 1 -11 26  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 26  18 o 61.11872 4.063236  828.9250       103.9279 909.4869       
154.4345 762.2418       140.5037 63.80349 5.765288 58.43396 5.727216 5.369522 
8.126472 
1 1 1 -11 26  19 o 54.18026 4.052508  649.9849       91.64155 748.3295       
138.0418 572.4878       122.5401 57.82967 5.685660 50.53084 5.776206 7.298836 
8.105017 
1 1 1 -11 26  20 o 31.74472 6.253973  256.3249       85.90213 251.3184       
132.7766 259.9291       112.6560 31.20452 9.380544 32.28492 8.273701 -1.080400 
12.50795 
1 1 1 -11 26  21 o 63.15950 3.949578  915.5002       97.19133 841.0240       
167.7610 953.1260       119.2410 60.32663 6.623738 65.99236 4.303808 -5.665733 
7.899156 
1 1 1 -11 26  22 o 63.73182 3.227777  889.5620       84.03810 926.1323       
136.3779 867.1746       106.7045 64.43872 5.041015 63.02493 4.032659 1.413795 
6.455554 
1 1 1 -11 26  23 o 22.62223 6.115525  109.6588       78.24638 133.8073       
132.1246 96.61456       97.10652 24.07287 9.256566 21.17159 7.994660 2.901285 
12.23105 
1 1 1 -11 26  24 o 23.79884 5.796080  137.1659       79.60118 16.37936       
127.7388 213.8473       101.7791 18.83138 8.302125 28.76630 8.090296 -9.934927 
11.59216 
1 1 1 -11 26  25 o 15.16728 4.913126  -65.22429      73.54505 -149.3785      
100.6656 31.11645       107.7080 12.26608 5.983844 18.06848 7.794156 -5.802400 
9.826253 
1 1 1 -11 26  26 o 58.40622 3.793621  791.7379       92.73151 808.1954       
137.0754 777.8505       125.9182 58.75934 5.556530 58.05310 5.166354 0.7062340 
7.587241 
1 1 1 -11 26  27 o 17.78654 5.486024  17.02595       81.93909 -67.21502      
118.4773 94.26282       113.4452 15.11775 7.121953 20.45534 8.346475 -5.337589 
10.97205 
1 1 1 -11 27  1  o 79.31200 3.714888  1384.929       121.2536 1478.443       
193.7808 1324.755       155.4447 81.09554 5.691607 77.52847 4.775685 3.567062 
7.429775 
1 1 1 -11 27  2  o 31.31622 6.577947  253.2087       92.63009 232.1300       
145.6628 267.5204       120.0254 30.00574 9.930961 32.62669 8.628649 -2.620949 
13.15589 
1 1 1 -11 27  3  o 27.09289 6.495693  181.7050       87.87007 143.0727       
150.3598 201.7417       108.2855 25.62090 9.869940 28.56488 8.447509 -2.943983 
12.99139 
1 1 1 -11 27  4  o 54.75787 4.243958  693.4378       93.14656 588.5016       
148.0501 762.1901       119.8367 50.59706 6.969546 58.91869 4.844597 -8.321636 
8.487915 
1 1 1 -11 27  5  o 35.44085 6.377858  306.9848       91.32381 341.4173       
157.7411 289.6251       112.0036 36.29877 10.02575 34.58294 7.886230 1.715828 
12.75572 
1 1 1 -11 27  6  o 39.13750 5.618712  362.3241       87.24255 398.3469       
141.6157 340.2906       110.7552 40.27914 8.624307 37.99587 7.204238 2.283268 
11.23742 
1 1 1 -11 27  7  o 32.08349 6.072268  275.0371       92.58359 104.9958       
152.5592 374.1726       116.4865 24.27354 9.765272 39.89344 7.220055 -15.61990 
12.14454 
1 1 1 -11 27  8  o 47.42129 5.094313  499.0867       99.66370 622.7407       
159.7323 420.2603       127.5335 52.00565 7.315822 42.83692 7.091322 9.168732 
10.18863 
1 1 1 -11 27  9  o 23.63733 6.475666  106.8596       86.46915 117.1740       
156.1821 102.3006       103.8352 24.94817 9.941096 22.32648 8.301300 2.621698 
12.95133 
1 1 1 -11 27  10 o 40.08524 5.739373  375.4019       91.96985 459.2636       
146.8242 321.2492       117.9847 43.63196 8.314034 36.53852 7.914446 7.093445 
11.47875 
1 1 1 -11 27  11 o 53.27265 4.781434  617.4868       98.65639 720.4640       
182.9245 575.2466       117.1558 55.56515 7.841342 50.98016 5.473735 4.584988 
9.562867 
1 1 1 -11 27  12 o 73.20607 3.739331  1181.956       114.0029 1189.611       
172.4843 1176.018       151.9161 73.18952 5.613344 73.22262 4.941737 
-0.3309631E-01 7.478662 
1 1 1 -11 27  13 o 24.96177 6.278158  133.3390       90.93391 21.53628       
139.3808 216.1936       119.9873 20.39009 8.831846 29.53346 8.925220 -9.143372 
12.55632 
1 1 1 -11 27  14 f 23.23278 6.502701  91.21895       94.56117 150.3382       
143.7642 46.13806       125.5401 25.95014 9.744103 20.51542 8.613531 5.434713 
13.00540 
1 1 1 -11 27  15 o 34.19972 6.492630  289.1986       94.49571 353.7655       
147.3551 244.0998       123.1523 37.24173 9.414300 31.15771 8.943598 6.084011 
12.98526 
1 1 1 -11 27  16 o 106.3068 3.587490  2477.061       159.4656 2251.455       
214.5123 2755.742       238.4135 100.9527 5.061222 111.6608 5.085703 -10.70811 
7.174981 
1 1 1 -11 27  17 o 41.97052 5.579283  430.6683       95.00662 344.2622       
137.5088 509.5888       131.4174 36.83427 8.964285 47.10676 6.644936 -10.27249 
11.15857 
1 1 1 -11 27  18 o 20.54713 6.029460  55.79043       86.67928 11.15900       
131.0685 90.48335       115.5575 19.28649 8.458816 21.80777 8.594533 -2.521280 
12.05892 
1 1 1 -11 27  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 27  20 o 41.78777 5.554784  428.7985       94.02143 414.0307       
143.9766 439.7788       124.1486 40.22396 8.768942 43.35158 6.821155 -3.127621 
11.10957 
1 1 1 -11 27  21 o 48.45357 4.726942  553.6997       93.92883 529.4085       
146.6672 570.5899       122.2994 46.94057 7.442275 49.96656 5.829964 -3.025990 
9.453884 
1 1 1 -11 27  22 o 24.08911 6.154134  144.1422       80.79597 103.1442       
132.7656 168.2562       101.8213 22.51695 9.088576 25.66127 8.300074 -3.144318 
12.30827 
1 1 1 -11 27  23 o 36.31846 5.502125  352.8074       77.99046 275.5819       
136.8937 389.9182       94.89715 31.38735 9.542887 41.24957 5.479676 -9.862211 
11.00425 
1 1 1 -11 27  24 o 52.92572 4.347631  679.7950       93.20573 556.4401       
141.0335 775.4487       124.1924 47.58796 7.059051 58.26349 5.077145 -10.67554 
8.695263 
1 1 1 -11 27  25 o 42.94984 4.662018  462.7552       79.66782 393.7722       
119.3449 518.2034       106.9982 38.83627 7.590343 47.06343 5.415195 -8.227161 
9.324036 
1 1 1 -11 27  26 o 48.32593 4.582804  582.2544       91.28480 485.0523       
131.2655 673.2864       127.0310 43.55115 7.179132 53.10071 5.698106 -9.549557 
9.165607 
1 1 1 -11 28  1  o 17.72280 5.705339  -32.57384      89.84250 0.2109185      
148.8423 -51.36530      112.6862 19.61633 8.775843 15.82927 7.293021 3.787066 
11.41068 
1 1 1 -11 28  2  o 41.03722 5.748644  384.2073       94.60281 570.5872       
161.8601 287.5036       116.5902 48.44014 7.958944 33.63429 8.297160 14.80585 
11.49729 
1 1 1 -11 28  3  o 84.78783 3.991294  1626.230       130.5725 1617.038       
234.4343 1630.364       157.2151 83.38300 6.696760 86.19267 4.344552 -2.809677 
7.982589 
1 1 1 -11 28  4  o 26.01876 6.222236  171.7884       87.46284 58.14591       
151.1007 229.0506       107.2581 21.87041 9.326764 30.16711 8.238710 -8.296703 
12.44447 
1 1 1 -11 28  5  o 20.20517 6.042001  45.76274       88.13006 46.68787       
130.4902 44.98685       119.5027 20.52578 8.707382 19.88456 8.378818 0.6412201 
12.08400 
1 1 1 -11 28  6  o 51.22912 4.484665  608.8641       93.91555 547.6841       
145.1284 652.9426       123.1861 48.42146 7.138970 54.03678 5.429917 -5.615318 
8.969331 
1 1 1 -11 28  7  o 33.76788 6.755595  278.5574       101.1551 416.5792       
162.1472 190.6157       129.4293 39.94316 9.742664 27.59260 9.361238 12.35056 
13.51119 
1 1 1 -11 28  8  o 53.22923 4.618136  646.4571       100.8769 663.0887       
160.7939 635.6624       129.5414 53.32286 7.182527 53.13559 5.806896 0.1872635 
9.236272 
1 1 1 -11 28  9  o 73.24513 4.304268  1210.229       120.1310 1225.261       
221.2161 1203.942       143.0639 72.41418 7.276360 74.07609 4.600162 -1.661911 
8.608537 
1 1 1 -11 28  10 f 70.27048 4.481276  1142.301       124.8602 1063.018       
209.0349 1186.280       155.6850 67.34370 7.393378 73.19727 5.066092 -5.853577 
8.962551 
1 1 1 -11 28  11 o 81.17213 4.767515  1512.725       147.6826 1525.591       
270.3130 1507.251       176.3240 79.86909 8.061378 82.47517 5.092246 -2.606079 
9.535029 
1 1 1 -11 28  12 o 21.35032 6.292566  60.81565       95.09076 0.1231989      
152.8663 99.12380       121.4479 20.19164 8.968492 22.50900 8.829027 -2.317360 
12.58513 
1 1 1 -11 28  13 o 41.96882 5.773222  431.2315       97.67234 448.8262       
145.8025 416.9078       131.5531 42.54100 8.463949 41.39664 7.853786 1.144356 
11.54644 
1 1 1 -11 28  14 o 39.83600 6.239810  394.2474       101.7882 503.7395       
154.0146 309.3330       135.6318 45.07122 8.451240 34.60079 9.182453 10.47043 
12.47962 
1 1 1 -11 28  15 o 34.05010 6.274281  305.9548       95.85445 188.0389       
141.0269 407.2042       130.6809 27.35276 9.732119 40.74745 7.921634 -13.39469 
12.54856 
1 1 1 -11 28  16 o 36.68014 6.174973  345.0955       93.70133 325.1034       
138.3872 362.0204       127.3297 35.28831 9.234308 38.07196 8.200532 -2.783642 
12.34995 
1 1 1 -11 28  17 o 62.59187 4.173443  887.3164       109.2093 1006.915       
160.8910 785.1323       148.7169 66.60186 5.753956 58.58188 6.046694 8.019978 
8.346887 
1 1 1 -11 28  18 o 41.64843 5.553767  428.6776       94.14082 402.5276       
140.7306 449.8566       126.6502 39.59111 8.702685 43.70575 6.902215 -4.114635 
11.10753 
1 1 1 -11 28  19 o 22.26799 5.942347  45.81958       88.24977 237.1320       
135.7747 -94.12395      116.1245 29.63912 9.584343 14.89686 7.027540 14.74227 
11.88469 
1 1 1 -11 28  20 o 27.63752 6.503228  200.3294       86.45204 221.4972       
140.2877 187.3686       109.7731 28.47218 9.746004 26.80285 8.612971 1.669331 
13.00646 
1 1 1 -11 28  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 28  22 f 30.00949 6.348774  221.6722       92.89710 412.3268       
149.0625 100.6014       118.7859 38.49961 9.310694 21.51937 8.633582 16.98024 
12.69755 
1 1 1 -11 28  23 o 21.95640 5.757069  67.91163       76.54691 249.2104       
128.9281 -30.78796      95.12791 29.19320 9.329533 14.71959 6.747977 14.47362 
11.51414 
1 1 1 -11 28  24 o 37.72852 4.921898  365.6909       74.63039 242.9496       
103.6996 497.5664       107.4890 29.63035 8.104782 45.82669 5.586843 -16.19634 
9.843796 
1 1 1 -11 28  25 o 20.07936 5.762577  80.37313       80.83810 0.7575917      
118.6253 149.4006       110.4560 16.97325 7.702127 23.18546 8.573587 -6.212212 
11.52515 
1 1 1 -11 29  1  o 76.16145 4.676091  1281.432       130.4626 1638.010       
268.0331 1170.725       149.3482 80.45957 7.934724 71.86332 4.950096 8.596252 
9.352181 
1 1 1 -11 29  2  o 36.22755 6.300663  321.9174       91.94769 481.3590       
160.4605 243.9689       112.1944 42.14540 9.317094 30.30970 8.484406 11.83570 
12.60133 
1 1 1 -11 29  3  o 29.21094 6.726511  216.2269       91.94885 314.4722       
155.9050 163.8276       113.8590 33.17866 10.20356 25.24323 8.767615 7.935436 
13.45302 
1 1 1 -11 29  4  o 20.92019 5.955403  79.02448       77.70036 107.3943       
128.8366 62.80729       97.40895 22.61510 9.023471 19.22528 7.774591 3.389824 
11.91081 
1 1 1 -11 29  5  o 20.67971 6.143128  63.13888       86.92337 57.02869       
150.9573 66.16969       106.3178 21.48344 9.246773 19.87598 8.090074 1.607460 
12.28626 
1 1 1 -11 29  6  o 26.48384 6.567815  176.0328       99.09729 58.24638       
153.1143 260.9358       129.9959 21.67416 9.320407 31.29353 9.256069 -9.619364 
13.13563 
1 1 1 -11 29  7  o 25.12087 6.516569  151.3168       89.20244 179.2825       
137.7694 131.1300       117.0505 26.54341 9.601506 23.69833 8.813272 2.845087 
13.03314 
1 1 1 -11 29  8  o 60.22998 4.737785  814.8039       111.6678 946.3273       
202.5835 757.3998       133.8363 62.58186 7.710397 57.87811 5.507833 4.703758 
9.475571 
1 1 1 -11 29  9  o 42.73033 6.573602  533.9710       113.1723 315.5384       
199.2886 637.9431       137.4935 32.84160 11.58069 52.61906 6.223866 -19.77746 
13.14720 
1 1 1 -11 29  10 o 25.14501 6.908924  145.8540       103.0012 145.2701       
165.2263 146.2253       131.7307 25.45705 10.19524 24.83297 9.326839 0.6240864 
13.81785 
1 1 1 -11 29  11 o 69.73781 4.863546  1140.596       126.1346 1139.216       
238.8511 1141.129       148.5354 67.91417 8.376987 71.56145 4.943926 -3.647278 
9.727093 
1 1 1 -11 29  12 o 29.52900 6.935460  237.6285       101.2949 192.1371       
170.2481 262.5579       126.0298 27.45145 10.52101 31.60656 9.039395 -4.155106 
13.87092 
1 1 1 -11 29  13 o 31.22737 6.884270  266.5011       101.9375 216.8079       
151.9659 307.1529       137.4478 28.50415 10.10646 33.95058 9.350521 -5.446423 
13.76854 
1 1 1 -11 29  14 o 67.32030 4.090051  1029.676       115.0572 1173.934       
168.2454 902.9392       157.6971 71.92535 5.571631 62.71524 5.989240 9.210110 
8.180101 
1 1 1 -11 29  15 o 31.52871 6.550967  267.2487       93.05709 236.3655       
134.8207 295.3497       128.6045 29.61762 9.547937 33.43980 8.972043 -3.822178 
13.10193 
1 1 1 -11 29  16 o 39.76554 5.699232  381.1972       93.40675 576.6357       
145.8305 245.2377       121.6321 49.13987 7.068634 30.39122 8.942000 18.74865 
11.39846 
1 1 1 -11 29  17 o 40.24507 5.613256  390.8110       92.55891 606.8562       
144.4580 240.3438       120.5564 50.51065 6.812081 29.97950 8.923572 20.53115 
11.22651 
1 1 1 -11 29  18 o 32.18745 6.486288  277.9573       92.35696 347.8282       
139.1993 223.0107       123.4409 35.73974 9.219175 28.63516 9.126584 7.104580 
12.97258 
1 1 1 -11 29  19 o 36.18327 5.514012  309.8974       88.40920 584.7354       
141.0499 132.0509       113.4637 49.22908 6.824519 23.13747 8.662750 26.09161 
11.02802 
1 1 1 -11 29  20 o 19.24471 5.840526  21.01366       84.40462 132.8160       
138.0797 -45.68417      106.6498 23.29592 9.324141 15.19349 7.036148 8.102428 
11.68105 
1 1 1 -11 29  21 o 17.70182 5.595403  -32.04038      84.94849 111.8753       
139.6533 -116.5645      107.0256 22.11343 9.172181 13.29022 6.411336 8.823215 
11.19081 
1 1 1 -11 29  22 o 43.91026 5.722562  434.4667       100.1939 947.1601       
180.8781 207.5146       120.3439 61.22972 7.036305 26.59080 9.026698 34.63893 
11.44512 
1 1 1 -11 29  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -11 30  1  o 26.28336 5.747861  206.4311       97.31995 -130.9534      
183.0973 339.2779       114.8934 17.20621 8.317816 35.36052 7.935086 -18.15431 
11.49572 
1 1 1 -11 30  2  o 20.06464 6.301106  53.51487       101.9842 44.43451       
178.0317 57.94995       124.4219 20.75890 9.424144 19.37038 8.366677 1.388525 
12.60221 
1 1 1 -11 30  3  o 18.70862 5.919015  16.97974       97.88937 -128.1579      
182.7699 75.35973       115.9168 17.49985 8.426401 19.91739 8.314730 -2.417545 
11.83803 
1 1 1 -11 30  4  o 29.38602 6.800955  258.3123       97.89235 220.3298       
159.1186 281.4431       124.1724 27.16805 10.24120 31.60398 8.951518 -4.435938 
13.60191 
1 1 1 -11 30  5  o 24.99010 6.543023  162.9837       90.28415 205.6561       
140.7628 133.1600       117.6781 26.90668 9.707985 23.07352 8.774941 3.833160 
13.08605 
1 1 1 -11 30  6  o 18.86288 5.919271  -47.73041      95.42231 139.6478       
156.4539 -158.7187      120.4108 24.11749 9.814781 13.60827 6.619755 10.50922 
11.83854 
1 1 1 -11 30  7  o 91.45421 4.803184  1981.750       164.8172 2071.704       
310.7429 1946.538       194.4174 90.20152 8.205563 92.70689 4.995100 -2.505363 
9.606367 
1 1 1 -11 30  8  o 25.61667 6.848283  172.5920       100.1255 157.6247       
164.3083 181.4330       126.2805 25.18215 10.13287 26.05119 9.215256 
-0.8690376     13.69657 
1 1 1 -11 30  9  o 42.80362 6.555764  501.2019       109.6256 463.0517       
193.3390 519.2792       133.0876 39.05199 11.20483 46.55524 6.809108 -7.503254 
13.11153 
1 1 1 -11 30  10 o 72.31349 4.779446  1266.750       133.6827 1185.239       
232.7123 1306.898       163.3192 68.67944 8.070745 75.94755 5.122058 -7.268112 
9.558892 
1 1 1 -11 30  11 o 47.52517 5.863195  559.8365       109.2465 636.7439       
186.2226 519.4799       134.8981 48.54889 9.474385 46.50144 6.909722 2.047447 
11.72639 
1 1 1 -11 30  12 o 37.50005 6.860940  359.9349       106.2994 543.5212       
182.3075 265.3690       130.8434 44.00447 10.07959 30.99563 9.310849 13.00884 
13.72188 
1 1 1 -11 30  13 o 38.76372 6.268988  418.9450       102.2899 304.2241       
160.5917 497.2637       132.6889 32.13939 10.42658 45.38805 6.963283 -13.24866 
12.53798 
1 1 1 -11 30  14 o 27.48682 6.679733  208.8983       93.32191 220.3965       
134.0863 198.0962       129.9644 28.09228 9.528161 26.88136 9.364267 1.210920 
13.35947 
1 1 1 -11 30  15 o 22.95705 6.148508  101.3617       87.99563 227.0632       
132.9253 3.301555       117.4042 28.36470 9.486821 17.54940 7.824119 10.81530 
12.29702 
1 1 1 -11 30  16 o 23.54832 6.426175  139.7717       89.54562 143.2706       
135.3994 137.0518       119.3810 23.79733 9.324817 23.29930 8.844810 0.4980278 
12.85235 
1 1 1 -11 30  17 o 22.00263 5.970346  59.88583       89.95798 247.3078       
136.1364 -85.38252      119.8532 29.01121 9.600724 14.99406 7.099736 14.01715 
11.94069 
1 1 1 -11 30  18 o 37.00143 6.121999  366.6796       93.51536 494.0784       
146.1359 278.3318       121.6949 42.71984 8.448550 31.28302 8.862139 11.43682 
12.24400 
1 1 1 -11 30  19 o 31.41540 6.343791  264.6012       92.18127 444.0509       
147.9395 150.7102       117.8576 39.37538 9.120850 23.45543 8.819572 15.91995 
12.68758 
1 1 1 -11 30  20 o 36.22149 6.200187  343.4459       92.20007 538.2716       
156.2807 239.4324       114.1897 43.71403 8.824510 28.72895 8.711905 14.98508 
12.40037 
1 1 1 -11 30  21 o 19.22826 5.901869  58.52732       87.24051 50.56404       
140.7056 63.50040       111.1932 19.52579 8.647130 18.93074 8.034636 0.5950527 
11.80374 
1 1 1 -11 31  5  o 50.28581 6.247940  751.9337       106.8885 585.3755       
205.2458 813.9177       125.2078 41.42975 11.43324 59.14187 5.042633 -17.71212 
12.49588 
1 1 1 -11 31  6  o 46.62537 6.683403  607.5027       122.5849 748.6871       
204.8973 528.7968       152.9842 49.73509 10.16404 43.51565 8.681235 6.219444 
13.36681 
1 1 1 -11 31  7  o 28.13018 7.408456  230.6526       114.8871 391.1793       
194.4502 144.5640       142.3992 33.06741 11.46044 23.19296 9.391437 9.874449 
14.81691 
1 1 1 -11 31  8  o 18.63715 6.119646  -23.14442      106.1852 56.89653       
187.7851 -60.76691      128.7445 21.33270 9.683101 15.94159 7.485840 5.391117 
12.23929 
1 1 1 -11 31  9  o 26.76617 7.237895  211.5190       107.7405 275.8831       
190.6556 181.3212       130.5916 28.46866 11.08353 25.06368 9.311489 3.404980 
14.47579 
1 1 1 -11 31  10 o 21.04745 6.619337  64.31730       110.7207 88.82121       
198.1408 53.19183       133.5104 22.49366 10.09263 19.60124 8.567455 2.892418 
13.23867 
1 1 1 -11 31  11 o 44.37724 7.066385  546.8298       120.9102 715.4805       
219.3814 473.2509       144.9047 47.30322 11.20480 41.45126 8.613221 5.851959 
14.13277 
1 1 1 -11 31  12 o 32.83798 7.329488  337.2667       113.5965 419.7055       
171.3755 272.6580       151.7148 36.26803 10.59598 29.40794 10.12969 6.860088 
14.65898 
1 1 1 -11 31  13 f 37.12643 6.533019  407.6717       102.6434 341.5291       
153.9803 460.5670       137.6997 32.99745 10.13887 41.25541 8.241643 -8.257957 
13.06604 
1 1 1 -11 31  14 o 26.65902 6.305036  190.5833       95.84203 45.09558       
134.1899 342.0819       136.9339 19.27184 8.501074 34.04620 9.313735 -14.77436 
12.61007 
1 1 1 -11 31  15 o 21.50291 6.187504  110.4458       87.40718 129.6344       
130.0404 94.63204       118.0522 22.39917 9.013901 20.60665 8.478822 1.792528 
12.37501 
1 1 1 -11 31  16 o 35.79228 6.202856  361.6733       92.13934 412.0773       
139.3558 322.5243       122.8153 37.94255 8.893723 33.64201 8.648895 4.300541 
12.40571 
1 1 1 -11 31  17 o 23.36303 6.043746  101.1061       90.15846 298.9735       
138.2463 -45.32945      118.9295 31.06858 9.619260 15.65748 7.319650 15.41110 
12.08749 
1 1 1 -10 -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 1  o 101.5711 1.839063  2174.438       73.04980 2183.285       
88.56258 2155.606       129.2074 101.9275 2.069570 101.2147 3.040641 0.7128067 
3.678127 
1 1 1 -10 -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 1  o 114.2930 1.781426  2703.419       72.19686 2667.426       
82.13968 2825.678       151.3848 112.6880 1.736186 115.8979 3.111200 -3.209801 
3.562851 
1 1 1 -10 -19 2  o 135.4242 1.753390  3828.436       80.75081 3809.494       
90.56513 3901.896       178.3524 134.6712 1.601796 136.1772 3.119577 -1.505920 
3.506781 
1 1 1 -10 -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -19 20 f 21.20544 6.804297  105.2046       68.52876 0.000000       
0.000000 105.2046       68.52876 ?        ?        21.20544 6.804297 ? ? 
1 1 1 -10 -19 21 o 70.76054 3.601073  1088.968       106.9799 0.000000       
0.000000 1088.968       106.9799 ?        ?        70.76054 3.601073 ? ? 
1 1 1 -10 -19 22 o 44.14865 4.611217  439.4113       85.46966 0.000000       
0.000000 439.4113       85.46966 ?        ?        44.14865 4.611217 ? ? 
1 1 1 -10 -19 23 o 27.05398 6.774527  189.6119       76.84875 0.000000       
0.000000 189.6119       76.84875 ?        ?        27.05398 6.774527 ? ? 
1 1 1 -10 -18 1  o 280.5932 3.442104  16657.24       358.4043 16725.50       
418.9229 16470.87       692.2468 281.9514 3.539003 279.2350 5.904894 2.716339 
6.884208 
1 1 1 -10 -18 2  o 76.74371 1.917264  1250.073       56.49207 1268.145       
67.66816 1208.508       102.6208 77.69128 2.074594 75.79613 3.224850 1.895149 
3.834527 
1 1 1 -10 -18 3  o 31.63095 2.555465  214.5835       33.00376 191.5578       
51.51360 230.6156       42.98441 30.15227 4.069331 33.10963 3.092272 -2.957365 
5.110929 
1 1 1 -10 -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -18 16 o 76.55508 3.303616  1244.098       106.1799 0.000000       
0.000000 1244.098       106.1799 ?        ?        76.55508 3.303616 ? ? 
1 1 1 -10 -18 17 f 69.64732 3.242947  1031.651       94.82506 0.000000       
0.000000 1031.651       94.82506 ?        ?        69.64732 3.242947 ? ? 
1 1 1 -10 -18 18 f 52.23398 3.683078  584.4216       80.76867 0.000000       
0.000000 584.4216       80.76867 ?        ?        52.23398 3.683078 ? ? 
1 1 1 -10 -18 19 o 22.26152 7.020928  113.8592       73.19578 0.000000       
0.000000 113.8592       73.19578 ?        ?        22.26152 7.020928 ? ? 
1 1 1 -10 -18 20 o 30.08373 5.846620  209.0698       71.20869 0.000000       
0.000000 209.0698       71.20869 ?        ?        30.08373 5.846620 ? ? 
1 1 1 -10 -18 21 o 38.27441 5.201237  341.8992       67.42379 372.0304       
146.4845 333.7997       75.94701 37.68056 9.303264 38.86826 4.654110 -1.187695 
10.40247 
1 1 1 -10 -18 22 o 29.56627 5.754078  229.1915       66.51752 204.4856       
146.8293 235.5714       74.61327 27.51324 9.916145 31.61930 5.840182 -4.106058 
11.50816 
1 1 1 -10 -18 23 o 47.03229 4.802067  524.2888       79.05542 584.8134       
159.7735 504.6670       90.97195 46.80541 8.439008 47.25917 4.585033 
-0.4537544     9.604134 
1 1 1 -10 -18 24 o 35.01746 5.860881  288.4536       76.07045 485.7743       
155.4603 226.3336       87.22654 40.73625 9.292110 29.29868 7.145374 11.43757 
11.72176 
1 1 1 -10 -17 1  o 43.33933 3.146191  390.2618       56.27682 369.0109       
72.35995 422.7930       89.52823 41.87484 4.115912 44.80382 4.759552 -2.928978 
6.292382 
1 1 1 -10 -17 2  o 119.7420 2.396535  2991.966       119.1859 3170.892       
184.6221 2864.114       156.0630 122.7741 3.581772 116.7098 3.185032 6.064331 
4.793070 
1 1 1 -10 -17 3  o 182.3019 2.561455  7036.752       190.0486 6812.591       
306.7341 7176.424       242.1225 179.8739 4.061766 184.7300 3.121900 -4.856049 
5.122910 
1 1 1 -10 -17 4  o 20.03282 3.491648  81.72542       30.95901 140.4810       
47.52248 38.40378       40.80626 25.41690 4.624388 14.64874 5.232728 10.76816 
6.983295 
1 1 1 -10 -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -17 12 o 122.1212 2.750137  3140.204       141.0017 0.000000       
0.000000 3140.204       141.0017 ?        ?        122.1212 2.750137 ? ? 
1 1 1 -10 -17 13 o 49.98100 2.152419  526.3912       44.88704 530.4114       
67.44031 523.1939       60.14410 50.13993 3.203737 49.82207 2.875360 0.3178635 
4.304838 
1 1 1 -10 -17 14 o 24.23011 3.524742  147.7455       38.44021 20.49591       
59.86753 237.0086       50.14172 14.98270 6.080131 33.47752 3.567526 -18.49481 
7.049484 
1 1 1 -10 -17 15 o 46.20444 2.542325  454.3173       47.63057 443.5960       
77.72099 460.7658       60.27609 45.71073 4.049871 46.69815 3.074444 
-0.9874153     5.084650 
1 1 1 -10 -17 16 o 40.50089 3.606852  354.1111       60.00274 340.4552       
94.12751 363.4588       77.87694 39.74181 5.641439 41.25996 4.495739 -1.518150 
7.213703 
1 1 1 -10 -17 17 o 60.25872 2.897228  757.4694       72.26325 886.7372       
114.5458 672.0087       93.13589 64.39331 4.237012 56.12412 3.952652 8.269188 
5.794456 
1 1 1 -10 -17 18 o 49.75198 3.396083  544.1985       68.65321 492.5949       
108.7181 578.4243       88.53987 47.55305 5.445586 51.95090 4.059447 -4.397846 
6.792166 
1 1 1 -10 -17 19 o 40.17263 4.814427  372.2824       66.48978 358.7531       
135.5262 376.5711       76.30379 38.59306 8.588731 41.75221 4.352991 -3.159153 
9.628854 
1 1 1 -10 -17 20 o 82.55762 3.250135  1485.037       100.9752 1486.021       
190.2701 1484.652       119.1359 81.89075 5.534225 83.22450 3.409671 -1.333755 
6.500270 
1 1 1 -10 -17 21 o 24.37334 5.712479  147.0144       72.56982 46.20502       
132.9206 189.8238       86.61859 20.74038 8.792733 28.00631 7.295032 -7.265924 
11.42496 
1 1 1 -10 -17 22 o 41.42065 5.379138  432.7736       81.57320 374.7640       
149.2982 457.4610       97.39630 37.61501 9.456693 45.22628 5.129472 -7.611267 
10.75828 
1 1 1 -10 -17 23 o 35.35241 6.051469  342.8792       86.43158 275.9124       
160.9095 370.0362       102.4689 30.86655 10.43777 39.83826 6.126507 -8.971710 
12.10294 
1 1 1 -10 -17 24 o 42.27817 6.076253  536.2422       92.24404 379.4133       
180.5664 591.6246       107.3024 33.87120 11.05695 50.68513 5.042547 -16.81392 
12.15251 
1 1 1 -10 -16 1  o 94.11559 2.399302  1860.883       94.30974 1851.257       
126.8987 1872.760       140.9540 93.85037 3.220642 94.38079 3.557255 
-0.5304184     4.798603 
1 1 1 -10 -16 2  o 219.0006 3.511247  10101.34       322.8364 10052.89       
455.6121 10150.19       457.5130 218.4730 4.967278 219.5282 4.964027 -1.055222 
7.022494 
1 1 1 -10 -16 3  o 308.8643 3.470311  19945.35       383.3215 20393.55       
789.3688 19807.04       438.4935 310.8245 6.049031 306.9041 3.403153 3.920410 
6.940621 
1 1 1 -10 -16 4  o 143.5109 2.185651  4293.292       118.7983 4416.771       
224.3213 4245.161       140.0504 144.8822 3.687877 142.1395 2.346879 2.742722 
4.371302 
1 1 1 -10 -16 5  o 190.5267 3.142899  7474.708       189.7136 7920.115       
463.6245 7385.129       207.9175 193.6171 5.703532 187.4364 2.642155 6.180679 
6.285799 
1 1 1 -10 -16 6  o 127.6317 2.199241  3390.052       102.8486 3502.926       
204.8731 3352.021       118.9192 128.9697 3.783713 126.2937 2.242804 2.676071 
4.398483 
1 1 1 -10 -16 7  o 41.92332 2.131222  371.1616       37.03179 360.8761       
56.68546 378.8195       48.91193 41.40654 3.260798 42.44011 2.745108 -1.033569 
4.262443 
1 1 1 -10 -16 8  o 66.60223 2.155893  923.3560       54.81042 957.9576       
102.3380 909.4382       64.90409 67.43342 3.614789 65.77104 2.350490 1.662376 
4.311787 
1 1 1 -10 -16 9  o 47.82873 2.188094  482.3362       42.68608 477.7019       
68.92467 485.2197       54.36729 47.62707 3.447005 48.03039 2.696141 
-0.4033203     4.376187 
1 1 1 -10 -16 10 o 28.40278 2.878291  170.1258       34.21051 169.8168       
50.42868 170.3893       46.56401 28.37371 4.233334 28.43185 3.900913 
-0.5813980E-01 5.756582 
1 1 1 -10 -16 11 o 107.5684 2.615868  2464.717       108.0197 2372.775       
195.9804 2504.838       129.4596 106.0249 4.402768 109.1118 2.826073 -3.086914 
5.231736 
1 1 1 -10 -16 12 o 134.9076 2.888538  3936.102       138.5334 3662.148       
280.7448 4024.277       159.2751 131.5269 5.084148 138.2883 2.743365 -6.761383 
5.777076 
1 1 1 -10 -16 13 o 139.2994 2.572553  4158.689       144.2583 3860.116       
236.1014 4336.554       182.2296 135.1334 4.161568 143.4653 3.025471 -8.331924 
5.145107 
1 1 1 -10 -16 14 o 102.4214 2.342151  2217.988       94.99103 2202.090       
163.9987 2226.014       116.5287 102.0517 3.827729 102.7911 2.700217 
-0.7393570     4.684302 
1 1 1 -10 -16 15 f 71.85573 2.393489  1093.267       67.31931 1085.204       
118.8336 1097.078       81.69211 71.57265 3.954697 72.13880 2.697319 
-0.5661545     4.786978 
1 1 1 -10 -16 16 o 12.13526 3.793674  -17.86454      38.18115 -3.241970      
55.93100 -30.62544      52.24941 13.07650 5.628385 11.19403 5.088138 1.882473 
7.587349 
1 1 1 -10 -16 17 f 25.42231 4.281597  147.2963       45.71798 183.7903       
63.29630 107.4917       66.10510 28.78332 5.436316 22.06130 6.616250 6.722012 
8.563194 
1 1 1 -10 -16 18 o 42.75386 3.085586  388.6168       55.00257 458.5431       
81.34077 329.7071       74.65883 46.30568 4.184032 39.20205 4.536213 7.103630 
6.171172 
1 1 1 -10 -16 19 o 46.74142 4.616208  531.2516       75.31557 397.0123       
137.8352 588.3924       89.92765 41.10767 8.277202 52.37517 4.089676 -11.26750 
9.232416 
1 1 1 -10 -16 20 o 29.31092 5.115063  202.0213       62.42911 199.4418       
84.47134 205.1261       92.67384 29.18406 6.978312 29.43777 7.480550 
-0.2537060     10.23013 
1 1 1 -10 -16 21 o 86.73218 3.104070  1617.635       112.2255 1489.171       
148.3047 1789.763       171.6680 82.83274 4.264558 90.63161 4.511600 -7.798866 
6.208139 
1 1 1 -10 -16 22 o 41.56667 4.473524  405.7393       74.17424 453.6695       
99.35448 345.3882       111.4872 45.15017 5.241422 37.98318 7.251010 7.166996 
8.947047 
1 1 1 -10 -16 23 o 38.93107 5.969869  363.5669       85.84834 424.6140       
170.6794 342.8922       99.32724 39.26276 10.24643 38.59938 6.129274 0.6633759 
11.93974 
1 1 1 -10 -16 24 o 33.87764 11.44640  360.8131       193.5103 360.8131       
193.5103 0.000000       0.000000 33.87764 11.44640 ?        ?        ? ? 
1 1 1 -10 -16 25 o 40.80126 6.746573  413.2188       115.5675 0.000000       
0.000000 413.2188       115.5675 ?        ?        40.80126 6.746573 ? ? 
1 1 1 -10 -15 1  o 337.1212 5.136377  23650.76       682.9622 24957.16       
1206.014 23034.03       828.6354 343.5869 8.360584 330.6556 5.969097 12.93134 
10.27275 
1 1 1 -10 -15 2  o 270.8085 4.396493  15434.36       474.6795 15548.32       
811.2645 15375.03       585.3351 271.3853 7.120282 270.2318 5.159282 1.153534 
8.792986 
1 1 1 -10 -15 3  o 425.3446 5.962204  38216.36       1021.815 38681.57       
1707.928 37957.02       1275.213 426.8308 9.530920 423.8583 7.166105 2.972473 
11.92441 
1 1 1 -10 -15 4  o 279.7388 4.193685  16706.16       435.9334 16083.69       
834.2763 16939.95       511.2859 275.7776 7.205629 283.6999 4.292653 -7.922211 
8.387369 
1 1 1 -10 -15 5  o 126.2321 2.297660  3195.033       103.5890 3650.076       
219.3924 3064.482       117.5130 131.6933 3.968065 120.7708 2.317634 10.92253 
4.595321 
1 1 1 -10 -15 6  o 43.60748 2.373751  404.9864       42.91830 346.9830       
62.46921 456.8404       59.06503 40.60465 3.664471 46.61030 3.018350 -6.005650 
4.747503 
1 1 1 -10 -15 7  o 71.75154 2.066859  1113.886       59.86772 953.5864       
94.85575 1220.017       77.18244 67.31609 3.356339 76.18700 2.413008 -8.870903 
4.133717 
1 1 1 -10 -15 8  f 54.62212 1.971990  618.4235       44.75220 689.6440       
69.64664 568.3383       58.40535 57.25765 2.897262 51.98658 2.675977 5.271069 
3.943980 
1 1 1 -10 -15 9  o 172.1808 3.146276  6397.224       181.2567 6023.593       
400.5920 6493.411       203.2530 168.6644 5.657178 175.6971 2.755456 -7.032654 
6.292552 
1 1 1 -10 -15 10 o 71.39165 2.102152  1031.999       60.52877 1216.473       
104.0411 937.6153       74.41928 76.01488 3.260074 66.76842 2.654822 9.246468 
4.204303 
1 1 1 -10 -15 11 o 164.4290 2.517669  5744.381       170.4487 5424.583       
264.4305 5971.708       222.9457 160.4191 3.926236 168.4389 3.152665 -8.019791 
5.035337 
1 1 1 -10 -15 12 o 63.58154 2.090613  848.0569       55.50287 875.4088       
83.49936 826.4050       74.29094 64.49020 3.083973 62.67288 2.823431 1.817318 
4.181226 
1 1 1 -10 -15 13 o 116.2453 2.649786  2853.904       122.1361 2836.835       
210.3820 2862.581       150.0022 115.8943 4.323822 116.5964 3.064316 
-0.7021103     5.299572 
1 1 1 -10 -15 14 o 59.89998 2.566843  762.2026       62.07508 738.7557       
102.1655 775.9241       78.15578 59.11910 4.116210 60.68086 3.067824 -1.561756 
5.133685 
1 1 1 -10 -15 15 o 40.99948 3.050924  362.8117       50.77929 327.5537       
80.71684 385.9058       65.32601 39.26529 4.896394 42.73367 3.641137 -3.468372 
6.101848 
1 1 1 -10 -15 16 f 94.33292 1.992792  1876.880       78.90610 1825.763       
111.2310 1928.663       111.9526 93.03526 2.847734 95.63058 2.788422 -2.595314 
3.985585 
1 1 1 -10 -15 17 o 62.77711 2.199578  830.0855       57.86604 885.5861       
84.97973 782.1022       79.01529 64.72440 3.127291 60.82983 3.093966 3.894573 
4.399157 
1 1 1 -10 -15 18 o 115.0348 2.145689  2726.925       94.30217 2628.205       
111.2392 2979.104       177.7915 111.6135 2.373899 118.4562 3.574986 -6.842690 
4.291378 
1 1 1 -10 -15 19 o 37.27832 4.126399  305.2432       61.56688 225.3788       
83.54897 400.1426       91.07439 31.49896 6.536529 43.05767 5.038100 -11.55871 
8.252797 
1 1 1 -10 -15 20 o 19.48103 4.457488  9.283513       59.20237 -157.6504      
82.77294 184.1231       84.71027 10.83376 5.318978 28.12831 7.154387 -17.29455 
8.914975 
1 1 1 -10 -15 21 o 63.50591 3.031262  869.5881       80.64951 837.1968       
109.8440 907.4715       118.7920 62.26252 4.202144 64.74930 4.369917 -2.486782 
6.062523 
1 1 1 -10 -15 22 o 17.16839 5.128369  21.87323       63.57114 20.97482       
90.57337 22.74553       89.24762 17.17445 7.268427 17.16233 7.236756 
0.1212502E-01  10.25674 
1 1 1 -10 -15 23 o 50.66555 5.108663  570.7868       108.6673 570.7868       
108.6673 0.000000       0.000000 50.66555 5.108663 ?        ?        ? ? 
1 1 1 -10 -15 24 o 57.02260 3.635550  726.9063       85.81094 898.4644       
125.9799 578.4158       117.2047 63.56580 4.720617 50.47941 5.530340 13.08639 
7.271099 
1 1 1 -10 -15 25 o 48.07336 4.183763  539.3307       84.27584 586.8893       
122.6865 496.8403       115.9653 50.14850 5.827201 45.99823 6.004933 4.150272 
8.367526 
1 1 1 -10 -15 26 o 22.59487 5.698872  127.6453       71.67045 63.24874       
97.50128 203.3418       105.7103 18.46473 7.661678 26.72500 8.438440 -8.260275 
11.39774 
1 1 1 -10 -14 1  o 207.1810 3.768686  8970.303       319.2204 8766.272       
405.3569 9303.426       517.9553 204.1552 4.729314 210.2067 5.869035 -6.051529 
7.537373 
1 1 1 -10 -14 2  o 69.28246 2.641155  1005.742       75.98438 987.8670       
99.90636 1030.269       117.0301 68.56082 3.470869 70.00410 3.981944 -1.443275 
5.282311 
1 1 1 -10 -14 3  o 196.7004 3.370929  8075.670       235.6376 8265.409       
489.9253 8018.567       268.7660 198.0669 5.891677 195.3338 3.277314 2.733139 
6.741858 
1 1 1 -10 -14 4  o 47.71452 2.392836  469.5967       47.20597 529.0631       
75.01499 430.6083       60.74064 50.16506 3.561786 45.26397 3.196302 4.901093 
4.785673 
1 1 1 -10 -14 5  o 174.6799 2.901207  6488.771       198.7215 6224.870       
346.6964 6617.898       242.5133 171.9322 4.803007 177.4277 3.255632 -5.495453 
5.802414 
1 1 1 -10 -14 6  o 166.3111 3.109471  5775.010       183.4456 5915.916       
382.4410 5732.901       209.0670 167.4831 5.438943 165.1392 3.015481 2.343933 
6.218941 
1 1 1 -10 -14 7  o 183.5184 3.279896  7126.154       228.6487 7031.173       
425.0413 7164.834       271.2385 182.4980 5.547458 184.5387 3.500942 -2.040634 
6.559793 
1 1 1 -10 -14 8  o 71.44102 2.152493  1079.956       59.77780 1056.383       
106.5390 1090.786       72.21672 70.84124 3.582146 72.04081 2.387703 -1.199570 
4.304985 
1 1 1 -10 -14 9  o 111.8385 2.211537  2632.993       102.1186 2626.260       
159.4880 2637.671       132.9438 111.6927 3.401139 111.9843 2.827691 
-0.2916489     4.423074 
1 1 1 -10 -14 10 o 69.23525 2.182801  994.6584       59.09692 1047.643       
106.0740 970.8098       71.16462 70.52253 3.582630 67.94798 2.494645 2.574554 
4.365603 
1 1 1 -10 -14 11 o 180.9598 3.444493  6813.328       222.3589 7119.600       
461.7515 6720.862       253.7139 183.2660 6.001331 178.6536 3.382623 4.612366 
6.888985 
1 1 1 -10 -14 12 o 108.1748 1.978505  2460.788       89.79921 2439.301       
124.5791 2484.026       129.5576 107.6869 2.755519 108.6628 2.839902 
-0.9758224     3.957010 
1 1 1 -10 -14 13 o 61.82579 2.354497  818.7715       59.44373 738.8730       
93.08794 873.7864       77.24391 59.20922 3.744770 64.44236 2.855051 -5.233135 
4.708993 
1 1 1 -10 -14 14 o 67.06156 2.365787  981.1218       64.22360 774.8973       
97.81131 1137.415       85.15091 60.60719 3.844023 73.51593 2.758855 -12.90874 
4.731574 
1 1 1 -10 -14 15 f 37.53426 2.976161  297.7782       46.87763 293.1457       
65.13457 302.7562       67.51969 37.23434 4.166669 37.83419 4.250765 
-0.5998535     5.952322 
1 1 1 -10 -14 16 o 27.40736 4.008271  166.1328       44.57196 168.2910       
61.55691 163.7541       64.62337 27.63397 5.501010 27.18076 5.831280 0.4532146 
8.016541 
1 1 1 -10 -14 17 o 42.21050 2.771889  378.1523       48.86117 428.0689       
69.79015 330.1622       68.43018 44.96899 3.696596 39.45201 4.131422 5.516983 
5.543778 
1 1 1 -10 -14 18 o 37.24721 3.429237  305.1533       49.14374 187.4555       
67.49405 437.9607       71.69558 29.05618 5.737056 45.43823 3.758305 -16.38205 
6.858474 
1 1 1 -10 -14 19 o 45.58828 2.703394  433.8034       50.77209 330.0189       
67.34084 570.5116       77.28761 39.34729 4.076475 51.82926 3.551861 -12.48196 
5.406788 
1 1 1 -10 -14 20 o 72.49802 2.732858  1115.300       82.85493 1044.681       
111.3118 1203.041       124.0734 69.96478 3.789507 75.03126 3.938742 -5.066483 
5.465716 
1 1 1 -10 -14 21 o 40.82656 4.195494  362.8195       71.43227 408.5393       
108.9534 328.3516       94.60113 43.02210 6.032122 38.63102 5.832854 4.391079 
8.390988 
1 1 1 -10 -14 22 o 35.19450 10.65872  320.4787       171.0008 320.4787       
171.0008 0.000000       0.000000 35.19450 10.65872 ?        ?        ? ? 
1 1 1 -10 -14 23 o 40.60081 4.300031  372.6987       72.80135 363.0447       
108.3842 380.6351       98.27056 39.93753 6.464066 41.26409 5.672470 -1.326561 
8.600061 
1 1 1 -10 -14 24 f 34.56018 5.029709  288.9344       71.47310 328.3714       
97.75134 243.6312       104.7697 37.89241 6.144570 31.22795 7.964681 6.664461 
10.05942 
1 1 1 -10 -14 25 o 27.79320 5.210537  183.9912       74.51215 343.1826       
106.0854 28.98734       104.6808 37.55170 6.989811 18.03471 7.729252 19.51699 
10.42107 
1 1 1 -10 -14 26 o 45.40344 4.550871  499.5803       85.92783 439.5831       
123.2163 556.3843       119.8924 42.24913 6.946586 48.55774 5.881043 -6.308609 
9.101743 
1 1 1 -10 -14 27 o 42.37085 4.958792  459.4398       84.15365 352.1273       
116.9749 574.5641       121.1577 35.95590 7.960364 48.78579 5.915327 -12.82989 
9.917584 
1 1 1 -10 -13 1  o 332.5406 9.543020  23374.96       1332.323 23374.96       
1332.323 0.000000       0.000000 332.5406 9.543020 ?        ?        ? ? 
1 1 1 -10 -13 2  o 69.50558 2.893141  1028.873       82.88907 1099.730       
109.7134 934.6432       126.5208 72.34097 3.612404 66.67020 4.520131 5.670761 
5.786281 
1 1 1 -10 -13 3  o 225.1204 4.039838  10540.51       330.6858 10929.56       
666.8724 10413.65       380.8017 227.6788 6.976559 222.5619 4.075389 5.116852 
8.079676 
1 1 1 -10 -13 4  o 32.39536 3.474195  211.5509       43.46518 353.8622       
70.36979 123.7660       55.26836 41.02287 4.085840 23.76785 5.620146 17.25502 
6.948390 
1 1 1 -10 -13 5  o 227.1060 3.694806  10855.92       332.5275 10876.08       
574.6823 10845.78       407.7135 227.1472 6.026172 227.0648 4.276872 
0.8233643E-01  7.389613 
1 1 1 -10 -13 6  o 193.2273 3.436563  7684.104       245.1780 8237.818       
486.8428 7495.951       283.7932 197.6470 5.867046 188.8075 3.580171 8.839539 
6.873126 
1 1 1 -10 -13 7  o 201.7418 3.009060  8539.044       247.1039 8683.572       
403.7137 8452.459       312.4741 203.0348 4.736134 200.4487 3.713059 2.586151 
6.018120 
1 1 1 -10 -13 8  o 161.6193 3.396352  5328.010       173.3755 5780.937       
427.7340 5238.966       189.6537 165.3777 6.160527 157.8608 2.861595 7.516891 
6.792704 
1 1 1 -10 -13 9  o 146.1007 2.353920  4524.038       139.9270 4355.604       
225.6635 4629.251       178.3540 143.8303 3.737077 148.3711 2.863218 -4.540848 
4.707840 
1 1 1 -10 -13 10 o 224.2972 4.611377  10729.73       333.3724 10579.70       
781.6768 10763.09       368.5728 222.5805 8.364907 226.0140 3.884267 -3.433487 
9.222754 
1 1 1 -10 -13 11 o 238.0956 3.990659  11817.24       368.4434 12489.17       
671.6910 11528.05       440.6532 242.4870 6.597846 233.7042 4.491086 8.782791 
7.981317 
1 1 1 -10 -13 12 o 236.7419 5.035185  12219.41       428.4060 11351.00       
852.6667 12512.65       495.4862 230.1140 8.825866 243.3698 4.849377 -13.25578 
10.07037 
1 1 1 -10 -13 13 o 157.1139 2.283958  5096.531       146.3472 4801.607       
183.8202 5607.066       241.8528 151.0689 2.898273 163.1590 3.530704 -12.09009 
4.567916 
1 1 1 -10 -13 14 f 90.53154 1.911751  1687.195       70.45662 1582.742       
88.17886 1871.632       117.1728 86.75829 2.420887 94.30478 2.959471 -7.546486 
3.823502 
1 1 1 -10 -13 15 o 99.15127 1.987345  2045.092       81.97677 1900.911       
107.5514 2244.990       126.6384 95.04061 2.695428 103.2619 2.921099 -8.221313 
3.974689 
1 1 1 -10 -13 16 o 38.08575 3.190804  310.1213       50.52214 341.2463       
69.32977 274.8766       73.77548 40.17145 4.110771 36.00005 4.881238 4.171398 
6.381608 
1 1 1 -10 -13 17 o 125.9835 2.355122  3272.002       122.1058 2978.372       
155.3178 3747.156       197.5777 118.8061 3.113894 133.1609 3.534128 -14.35478 
4.710244 
1 1 1 -10 -13 18 o 87.34667 2.198463  1604.346       80.14735 1549.696       
106.9279 1674.416       121.0771 85.67960 2.972588 89.01374 3.239860 -3.334137 
4.396927 
1 1 1 -10 -13 19 o 53.86060 2.446602  616.5292       55.12414 669.8577       
77.45717 561.8007       78.46726 56.25316 3.279713 51.46804 3.631382 4.785118 
4.893205 
1 1 1 -10 -13 20 o 13.75583 4.311714  -47.89009      53.98415 23.58768       
74.31212 -127.7622      78.55463 16.40106 6.734160 11.11060 5.386520 5.290460 
8.623428 
1 1 1 -10 -13 21 o 31.48254 9.927666  236.1754       146.3565 236.1754       
146.3565 0.000000       0.000000 31.48254 9.927666 ?        ?        ? ? 
1 1 1 -10 -13 22 o 36.47387 4.684670  302.2648       69.98956 273.8702       
98.92883 330.7184       99.03162 34.31456 7.106696 38.63318 6.105687 -4.318623 
9.369340 
1 1 1 -10 -13 23 o 61.50896 3.612991  825.2412       92.34496 872.9219       
142.5749 790.7836       121.2035 62.86697 5.401838 60.15095 4.799475 2.716019 
7.225982 
1 1 1 -10 -13 24 o 64.29924 3.414645  910.4391       91.91542 914.3143       
135.2082 907.1095       125.3293 64.31255 5.007585 64.28594 4.643630 
0.2660370E-01  6.829290 
1 1 1 -10 -13 25 o 66.11958 3.148524  964.9039       85.56271 952.7539       
134.7507 973.1121       110.7556 65.43818 4.904796 66.80097 3.949152 -1.362793 
6.297049 
1 1 1 -10 -13 26 o 24.21315 5.744015  143.6702       70.75774 198.6781       
103.6669 95.69163       96.81700 27.55280 8.289915 20.87349 7.953121 6.679310 
11.48803 
1 1 1 -10 -13 27 o 17.33274 5.266237  32.54276       70.15739 -3.498643      
104.2573 62.36991       94.84438 16.20244 7.293199 18.46303 7.598833 -2.260588 
10.53247 
1 1 1 -10 -12 1  f 280.6766 5.594051  16599.16       657.0062 16721.40       
971.0464 16495.95       892.2418 281.5822 8.214025 279.7711 7.596276 1.811035 
11.18810 
1 1 1 -10 -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -12 3  o 138.6945 2.509342  4064.062       145.1266 3812.958       
214.0206 4277.807       197.4583 134.6974 3.784579 142.6916 3.296082 -7.994232 
5.018684 
1 1 1 -10 -12 4  o 232.7030 3.987072  11486.45       351.8271 11193.80       
653.9550 11605.66       417.3783 230.4594 6.758877 234.9465 4.231379 -4.487152 
7.974144 
1 1 1 -10 -12 5  o 153.5450 2.752002  4954.087       169.9726 4964.515       
284.6654 4948.310       211.8911 153.6378 4.413240 153.4521 3.288976 0.1856995 
5.504004 
1 1 1 -10 -12 6  o 234.4042 3.490608  11546.82       327.3089 11627.66       
555.4654 11503.82       405.1106 234.9350 5.631580 233.8734 4.125854 1.061661 
6.981215 
1 1 1 -10 -12 7  o 168.9142 2.968637  6047.002       203.5845 5827.061       
330.1842 6181.900       258.5877 166.3659 4.727300 171.4624 3.592196 -5.096588 
5.937275 
1 1 1 -10 -12 8  o 152.2336 3.359365  4639.479       150.0387 5228.324       
408.9603 4547.893       161.2853 157.3537 6.190494 147.1134 2.611341 10.24025 
6.718729 
1 1 1 -10 -12 9  o 226.2758 3.698904  10789.33       336.3997 10844.57       
564.6500 10758.93       418.8464 226.5623 5.936258 225.9893 4.414565 0.5729370 
7.397807 
1 1 1 -10 -12 10 o 45.28968 2.305034  433.5758       43.57571 408.6749       
64.02217 455.0680       59.47904 44.06592 3.460578 46.51344 3.045837 -2.447517 
4.610067 
1 1 1 -10 -12 11 o 91.72078 2.340155  1795.390       83.09244 1706.466       
148.0597 1836.273       100.3927 89.98950 3.918916 93.45206 2.558788 -3.462555 
4.680310 
1 1 1 -10 -12 12 o 75.96397 1.946293  1213.294       62.01185 1201.895       
85.65396 1225.850       89.89572 75.59221 2.698929 76.33572 2.804996 
-0.7435150     3.892586 
1 1 1 -10 -12 13 o 78.37971 2.074692  1286.686       68.08515 1372.900       
100.9488 1214.743       92.21654 80.77458 2.976785 75.98484 2.890699 4.789742 
4.149384 
1 1 1 -10 -12 14 o 64.83670 2.043849  884.2932       55.56489 881.1707       
76.61586 887.7578       80.70473 64.71954 2.819709 64.95386 2.959478 
-0.2343140     4.087698 
1 1 1 -10 -12 15 o 108.5924 2.139113  2477.779       97.22788 2428.722       
131.8795 2536.194       143.9086 107.4267 2.924061 109.7581 3.122994 -2.331497 
4.278226 
1 1 1 -10 -12 16 o 103.2522 2.017350  2217.261       84.14993 2147.787       
104.7644 2343.589       141.2698 101.0388 2.469713 105.4656 3.190504 -4.426826 
4.034699 
1 1 1 -10 -12 17 o 172.3096 2.605075  6088.718       156.2003 5950.364       
175.9982 6601.977       338.9856 168.1233 2.493454 176.4959 4.574752 -8.372620 
5.210151 
1 1 1 -10 -12 18 f 94.68665 2.177984  1864.967       85.87736 1685.057       
112.9964 2110.981       132.1349 89.36873 3.011618 100.0046 3.147160 -10.63585 
4.355968 
1 1 1 -10 -12 19 o 95.69609 2.673820  1944.918       106.9947 1890.060       
157.2245 1992.236       146.0223 94.39068 3.967457 97.00151 3.585600 -2.610832 
5.347639 
1 1 1 -10 -12 20 o 97.86944 5.517152  2061.638       226.6945 2061.638       
226.6945 0.000000       0.000000 97.86944 5.517152 ?        ?        ? ? 
1 1 1 -10 -12 21 o 33.82312 4.798903  260.0240       65.75301 284.2430       
93.15851 235.9806       92.82000 35.52708 6.486515 32.11916 7.074109 3.407913 
9.597807 
1 1 1 -10 -12 22 o 130.5692 3.410843  3631.498       179.7937 3491.136       
223.5126 3888.829       302.6388 127.5282 4.174617 133.6102 5.395181 -6.081993 
6.821686 
1 1 1 -10 -12 23 o 62.31961 3.140937  840.2061       82.13493 855.5362       
118.4947 826.0291       113.9512 62.84547 4.491030 61.79375 4.392333 1.051723 
6.281874 
1 1 1 -10 -12 24 o 91.64966 3.059738  1804.772       116.1258 1950.335       
182.3803 1705.520       150.5990 94.52139 4.595881 88.77792 4.040529 5.743469 
6.119477 
1 1 1 -10 -12 25 o 49.71365 3.823300  554.5995       78.65769 539.4139       
120.6235 565.8339       103.7510 48.83953 5.882766 50.58778 4.885035 -1.748249 
7.646600 
1 1 1 -10 -12 26 f 21.02471 5.654624  92.60232       70.37335 59.10789       
105.7100 119.2614       94.30885 19.55105 8.030365 22.49837 7.963184 -2.947317 
11.30925 
1 1 1 -10 -12 27 o 62.98940 3.308785  883.9725       84.68587 925.4024       
139.3123 859.6903       106.6539 63.64396 5.213789 62.33483 4.075370 1.309132 
6.617570 
1 1 1 -10 -12 28 o 23.15138 5.776748  146.1768       71.59818 107.7958       
105.5222 178.9218       97.46706 20.94548 8.226139 25.35728 8.112576 -4.411795 
11.55350 
1 1 1 -10 -11 1  o 244.1813 3.390287  12508.23       324.9954 12609.08       
573.0763 12460.42       394.5822 244.8422 5.575031 243.5203 3.859431 1.321838 
6.780573 
1 1 1 -10 -11 2  o 137.7788 2.852502  3936.378       143.2248 4095.787       
288.1945 3884.094       165.0500 139.5701 4.918291 135.9874 2.890931 3.582703 
5.705003 
1 1 1 -10 -11 3  o 215.3456 4.572441  9749.179       413.3929 0.000000       
0.000000 9749.179       413.3929 ?        ?        215.3456 4.572441 ? ? 
1 1 1 -10 -11 4  o 232.8736 6.990626  11427.23       683.4636 11427.23       
683.4636 0.000000       0.000000 232.8736 6.990626 ?        ?        ? ? 
1 1 1 -10 -11 5  o 51.52480 2.709372  548.8717       55.23729 585.0316       
97.17763 531.6121       67.13808 52.74781 4.388165 50.30180 3.179117 2.446007 
5.418743 
1 1 1 -10 -11 6  o 171.8117 2.998180  6266.420       212.6303 5853.340       
326.1190 6571.874       280.4346 166.8088 4.656701 176.8147 3.777760 -10.00587 
5.996360 
1 1 1 -10 -11 7  o 178.1190 3.302181  6503.716       202.1175 6978.916       
445.5581 6380.595       226.7948 181.9881 5.831528 174.2498 3.100144 7.738358 
6.604363 
1 1 1 -10 -11 8  o 187.3411 3.473840  7376.446       242.2938 7422.019       
467.7051 7359.729       283.2681 187.5989 5.938310 187.0832 3.606483 0.5157318 
6.947679 
1 1 1 -10 -11 9  o 170.2083 3.196600  6124.614       205.1114 6046.726       
386.2245 6155.210       242.0680 169.3314 5.432795 171.0852 3.370126 -1.753723 
6.393200 
1 1 1 -10 -11 10 o 129.4636 3.074456  3287.199       124.9169 3908.045       
317.3675 3173.382       135.8855 136.0542 5.556120 122.8730 2.634132 13.18113 
6.148913 
1 1 1 -10 -11 11 o 80.30773 2.122481  1364.564       70.65742 1301.923       
107.4905 1412.223       93.76017 78.66124 3.254846 81.95422 2.725010 -3.292984 
4.244962 
1 1 1 -10 -11 12 o 115.2091 2.119387  2804.508       102.0432 2626.335       
148.4719 2964.019       140.4813 111.7111 3.165694 118.7070 2.818793 -6.995926 
4.238775 
1 1 1 -10 -11 13 o 152.3213 2.356731  4845.178       149.3533 4605.602       
196.4403 5173.392       229.9252 147.9185 3.163218 156.7241 3.494393 -8.805618 
4.713463 
1 1 1 -10 -11 14 o 59.13181 2.248327  735.8545       55.76926 739.2928       
80.62307 732.7000       77.22587 59.26112 3.240489 59.00249 3.117551 0.2586250 
4.496654 
1 1 1 -10 -11 15 o 160.4481 2.473175  5143.561       141.0040 4917.253       
159.5052 5952.854       301.6321 152.9211 2.484440 167.9751 4.277142 -15.05405 
4.946351 
1 1 1 -10 -11 16 o 98.32245 1.995196  1988.224       80.35849 1838.996       
101.4418 2239.633       131.6687 93.50118 2.584168 103.1437 3.040610 -9.642532 
3.990392 
1 1 1 -10 -11 17 o 124.7653 2.141102  3276.498       110.6319 3262.431       
144.8725 3296.178       171.3548 124.4801 2.772088 125.0505 3.263863 
-0.5703812     4.282205 
1 1 1 -10 -11 18 o 26.88758 4.483287  136.5326       56.36649 38.04149       
72.84982 283.4510       88.97506 17.32812 6.825595 36.44704 5.814696 -19.11893 
8.966574 
1 1 1 -10 -11 19 o 79.10589 4.097770  1326.590       136.0928 1326.590       
136.0928 0.000000       0.000000 79.10589 4.097770 ?        ?        ? ? 
1 1 1 -10 -11 20 o 89.71996 3.489246  1647.523       120.0613 1897.592       
227.2043 1550.642       141.4188 93.96714 5.759192 85.47277 3.940945 8.494370 
6.978491 
1 1 1 -10 -11 21 o 64.19048 2.784247  876.9901       75.02965 878.0541       
106.7025 875.9495       105.5232 64.22456 3.957260 64.15639 3.917681 
0.6816101E-01  5.568495 
1 1 1 -10 -11 22 o 65.41014 3.061327  917.5982       83.52164 913.1450       
125.2341 921.1656       112.0907 65.18764 4.575920 65.63264 4.067904 
-0.4449921     6.122653 
1 1 1 -10 -11 23 o 63.38037 2.826969  869.0985       74.49998 748.8874       
106.9034 982.6052       103.8795 58.96888 4.318069 67.79187 3.649834 -8.822990 
5.653938 
1 1 1 -10 -11 24 o 63.37026 3.126510  868.8746       83.09044 825.8948       
114.4217 916.8255       120.8575 61.71849 4.415849 65.02203 4.427251 -3.303543 
6.253021 
1 1 1 -10 -11 25 o 44.58324 3.881495  440.1314       72.41470 472.5765       
107.8816 413.5247       97.69427 46.02669 5.582885 43.13979 5.394015 2.886898 
7.762989 
1 1 1 -10 -11 26 o 16.27603 5.083334  -4.878724      67.24621 -1.635915      
103.9883 -7.209506      88.16062 16.98848 7.490025 15.56359 6.874640 1.424889 
10.16667 
1 1 1 -10 -11 27 o 28.94142 5.925563  218.3988       75.90832 214.8474       
114.3095 221.2003       101.5252 28.53276 8.729335 29.35008 8.015478 
-0.8173218     11.85113 
1 1 1 -10 -11 28 o 30.48075 5.848100  267.7629       82.57065 158.2897       
129.5136 342.7317       107.1770 24.24424 9.209890 36.71727 7.209647 -12.47302 
11.69620 
1 1 1 -10 -11 29 o 40.92349 5.028639  424.9934       84.19498 482.7815       
128.3018 381.2863       111.5809 43.57598 7.013046 38.27100 7.208746 5.304985 
10.05728 
1 1 1 -10 -10 1  o 538.7052 6.568818  61110.29       1465.893 62024.41       
2272.987 60459.35       1918.079 541.9265 9.990277 535.4838 8.531812 6.442688 
13.13764 
1 1 1 -10 -10 2  o 324.9475 3.111809  22170.89       420.2018 22043.11       
555.2278 22342.18       642.8688 323.8802 4.083268 326.0147 4.696845 -2.134491 
6.223618 
1 1 1 -10 -10 3  o 220.3868 3.094813  10007.65       195.0902 10485.67       
538.9246 9935.567       209.2842 223.2548 5.749740 217.5188 2.291716 5.736053 
6.189626 
1 1 1 -10 -10 4  o 267.2978 4.636041  15159.42       514.0731 14192.15       
774.9724 15919.49       686.9745 259.5536 7.111813 275.0421 5.949254 -15.48853 
9.272081 
1 1 1 -10 -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -10 6  o 107.2639 2.506670  2468.780       103.6001 2287.480       
184.9040 2551.737       125.0763 104.3088 4.222273 110.2191 2.702957 -5.910286 
5.013339 
1 1 1 -10 -10 7  o 107.3237 2.677970  2358.161       101.1945 2537.925       
215.8353 2307.511       114.5671 109.8372 4.680519 104.8102 2.603620 5.027092 
5.355940 
1 1 1 -10 -10 8  o 74.02093 2.308711  1160.867       71.15849 1046.021       
103.9529 1262.130       97.61266 70.54111 3.510067 77.50074 3.000001 -6.959625 
4.617421 
1 1 1 -10 -10 9  o 101.5111 2.642740  2194.027       101.2583 2105.420       
188.9246 2229.740       119.9408 100.0125 4.499405 103.0097 2.773383 -2.997177 
5.285480 
1 1 1 -10 -10 10 o 175.2563 3.021664  6511.175       215.7593 6275.911       
346.8420 6659.683       275.5675 172.5908 4.786688 177.9217 3.689097 -5.330948 
6.043329 
1 1 1 -10 -10 11 o 70.53375 1.883758  1043.393       55.71906 991.8906       
76.66219 1101.065       81.12431 68.69308 2.658210 72.37441 2.669851 -3.681328 
3.767517 
1 1 1 -10 -10 12 o 130.3644 2.325233  3580.360       127.0893 3379.185       
180.2894 3779.064       179.1786 126.7103 3.389061 134.0185 3.184510 -7.308189 
4.650466 
1 1 1 -10 -10 13 o 158.2823 2.743407  5286.276       182.0796 5088.779       
260.6722 5474.441       254.4397 155.3730 3.996136 161.1916 3.759789 -5.818665 
5.486813 
1 1 1 -10 -10 14 o 25.09025 4.025985  137.0879       41.17009 126.1025       
54.52080 151.6628       62.79955 23.93814 5.531767 26.24236 5.850963 -2.304220 
8.051970 
1 1 1 -10 -10 15 o 157.9853 2.322535  5172.203       133.9737 5089.892       
154.4601 5422.226       269.2026 155.5977 2.364474 160.3730 3.998242 -4.775345 
4.645070 
1 1 1 -10 -10 16 o 45.03287 2.659074  424.0078       49.39429 323.7490       
66.75113 545.3477       73.43429 39.18077 4.057950 50.88496 3.437404 -11.70419 
5.318149 
1 1 1 -10 -10 17 o 78.39300 2.243524  1222.550       65.66998 1145.289       
75.89750 1452.672       130.9867 73.79115 2.449877 82.99484 3.759216 -9.203690 
4.487048 
1 1 1 -10 -10 18 o 142.1686 4.123970  4277.057       234.1857 4219.072       
288.8352 4388.316       400.0901 141.0704 4.876803 143.2667 6.651715 -2.196289 
8.247940 
1 1 1 -10 -10 19 o 72.40452 3.688395  1108.298       112.1197 0.000000       
0.000000 1108.298       112.1197 ?        ?        72.40452 3.688395 ? ? 
1 1 1 -10 -10 20 o 51.61757 3.358628  568.8707       72.54476 523.4060       
103.5395 612.7113       101.6735 49.55048 4.977134 53.68466 4.511060 -4.134174 
6.717256 
1 1 1 -10 -10 21 o 35.57799 4.586484  282.9612       65.72898 194.1719       
91.64564 377.0117       94.32175 29.23908 7.444229 41.91690 5.359740 -12.67782 
9.172969 
1 1 1 -10 -10 22 o 53.80281 3.246862  617.2562       72.68922 641.7126       
111.2948 599.0632       95.99082 54.66512 4.849375 52.94051 4.318796 1.724609 
6.493723 
1 1 1 -10 -10 23 o 80.36382 2.883475  1381.099       97.05183 1413.666       
142.9601 1353.259       132.1773 81.19500 4.193788 79.53264 3.958517 1.662361 
5.766950 
1 1 1 -10 -10 24 o 64.49450 3.018028  898.3129       81.59229 855.8821       
116.5652 939.0731       114.2475 62.94065 4.411222 66.04835 4.120082 -3.107697 
6.036055 
1 1 1 -10 -10 25 o 27.09031 5.486198  175.2635       68.14853 117.5140       
96.78924 232.0386       95.96915 23.01269 8.075006 31.16794 7.428846 -8.155251 
10.97240 
1 1 1 -10 -10 26 o 33.54128 5.618396  271.8737       77.93607 222.2145       
103.7096 336.3022       118.1294 29.95101 8.066475 37.13154 7.822882 -7.180532 
11.23679 
1 1 1 -10 -10 27 o 21.87464 5.910050  101.1036       77.00748 65.01438       
116.2768 129.2999       102.7782 20.39850 8.407650 23.35077 8.308201 -2.952274 
11.82010 
1 1 1 -10 -10 28 o 25.86698 5.937061  160.7935       84.72971 286.8770       
119.7639 34.44843       119.8880 32.80617 8.593177 18.92779 8.194638 13.87838 
11.87412 
1 1 1 -10 -10 29 f 19.55196 5.833005  68.03841       82.01955 94.20985       
120.0952 45.16046       112.2847 20.72347 8.543594 18.38046 7.943728 2.343016 
11.66601 
1 1 1 -10 -9  1  o 369.5461 4.337867  28679.56       663.4608 28432.28       
866.4653 29030.02       1031.522 367.6901 5.612939 371.4022 6.615382 -3.712128 
8.675735 
1 1 1 -10 -9  2  o 353.8836 4.210939  26435.31       549.6395 26155.15       
1072.242 26535.17       640.1407 352.4260 7.246793 355.3413 4.290925 -2.915314 
8.421879 
1 1 1 -10 -9  3  o 209.6469 2.952323  9417.237       217.0845 8907.247       
450.8828 9571.132       247.6819 205.8156 5.218029 213.4782 2.763515 -7.662643 
5.904645 
1 1 1 -10 -9  4  o 133.9116 2.039714  3786.248       107.9510 3707.052       
186.5260 3826.134       132.3727 132.8405 3.344491 134.9826 2.335832 -2.142120 
4.079427 
1 1 1 -10 -9  5  o 269.9673 4.340844  15185.50       254.5320 15521.49       
952.0447 15159.63       264.1473 271.2543 8.359914 268.6805 2.341700 2.573822 
8.681688 
1 1 1 -10 -9  6  o 197.3144 3.713142  8181.470       307.5950 0.000000       
0.000000 8181.470       307.5950 ?        ?        197.3144 3.713142 ? ? 
1 1 1 -10 -9  7  o 246.7094 8.014177  12848.29       830.0870 12848.29       
830.0870 0.000000       0.000000 246.7094 8.014177 ?        ?        ? ? 
1 1 1 -10 -9  8  o 111.6861 2.366215  2561.411       105.5284 2812.736       
183.3192 2436.851       129.0562 115.6728 3.774833 107.6994 2.854214 7.973373 
4.732430 
1 1 1 -10 -9  9  o 212.7040 3.835195  9451.327       325.3787 9780.337       
559.2279 9282.943       400.0690 215.3702 6.184780 210.0379 4.536891 5.332352 
7.670390 
1 1 1 -10 -9  10 o 88.36134 1.880728  1641.391       69.73414 1675.633       
97.76493 1605.927       99.49580 89.30161 2.607623 87.42107 2.710876 1.880547 
3.761456 
1 1 1 -10 -9  11 o 136.6288 2.510924  3928.475       143.1468 3912.928       
214.4292 3940.974       192.2606 136.3686 3.745335 136.8890 3.345358 
-0.5204468     5.021848 
1 1 1 -10 -9  12 o 135.6020 2.030024  3655.875       97.15361 3491.746       
109.5518 4260.370       210.2439 128.9193 2.024057 142.2847 3.519542 -13.36546 
4.060047 
1 1 1 -10 -9  13 f 189.8716 2.749799  7472.407       208.6204 7210.053       
256.0396 7990.624       359.8482 185.0897 3.294928 194.6535 4.403298 -9.563843 
5.499599 
1 1 1 -10 -9  14 o 170.0415 2.689802  5860.825       166.2870 5642.787       
190.4023 6561.738       341.3808 163.7854 2.768969 176.2976 4.612260 -12.51219 
5.379603 
1 1 1 -10 -9  15 o 209.9636 2.939416  8854.642       199.1446 8618.756       
218.6198 10004.45       482.6709 202.4447 2.572196 217.4824 5.286254 -15.03767 
5.878833 
1 1 1 -10 -9  16 o 93.92021 2.135462  1839.246       83.31480 1746.601       
109.0244 1969.294       129.1708 91.11602 2.850034 96.72440 3.180895 -5.608376 
4.270924 
1 1 1 -10 -9  17 o 119.7424 3.169015  3023.201       158.4214 2987.213       
212.4986 3068.229       237.6964 118.9760 4.254198 120.5088 4.698130 -1.532768 
6.338030 
1 1 1 -10 -9  18 o 93.90988 5.271935  1869.767       207.8549 0.000000       
0.000000 1869.767       207.8549 ?        ?        93.90988 5.271935 ? ? 
1 1 1 -10 -9  19 o 86.86568 2.602908  1592.863       94.60468 1604.517       
139.8843 1583.039       128.4307 87.13725 3.823721 86.59410 3.532659 0.5431442 
5.205816 
1 1 1 -10 -9  20 o 132.2634 3.084039  3714.916       165.0868 3697.321       
271.9212 3725.187       207.7568 131.8279 4.913114 132.6989 3.729142 
-0.8710022     6.168078 
1 1 1 -10 -9  21 o 121.0935 3.106652  3135.231       155.2874 3020.920       
240.2555 3217.249       203.5097 119.0331 4.807582 123.1539 3.936025 -4.120819 
6.213304 
1 1 1 -10 -9  22 o 42.47170 3.907997  387.7727       69.22895 450.2546       
100.3687 331.0711       95.61338 45.78734 5.221243 39.15606 5.816218 6.631275 
7.815995 
1 1 1 -10 -9  23 o 66.73346 3.014629  972.1268       82.22447 852.5048       
126.9087 1058.671       107.9454 62.95253 4.801745 70.51440 3.646258 -7.561867 
6.029258 
1 1 1 -10 -9  24 o 46.87115 3.612626  455.1795       68.58112 668.5451       
109.4465 317.2393       88.00050 55.62691 4.686384 38.11540 5.499279 17.51151 
7.225252 
1 1 1 -10 -9  25 o 22.66393 5.559742  113.2722       65.39311 80.95963       
103.6324 134.6506       84.29395 21.22227 8.190156 24.10559 7.520922 -2.883324 
11.11948 
1 1 1 -10 -9  26 o 24.56362 6.033163  137.6371       76.39993 112.8264       
104.4641 166.1684       112.0232 22.85550 8.351563 26.27175 8.709053 -3.416248 
12.06633 
1 1 1 -10 -9  27 o 30.84924 5.847684  240.6986       81.02386 154.3033       
115.0011 325.8551       114.1735 25.22554 8.806681 36.47294 7.695714 -11.24740 
11.69537 
1 1 1 -10 -9  28 o 25.22617 5.990880  158.0993       79.16212 220.8944       
109.0233 88.07207       115.1304 29.16957 8.428659 21.28277 8.515884 7.886801 
11.98176 
1 1 1 -10 -9  29 o 49.81613 4.426229  592.4602       92.41130 557.7838       
130.8324 626.9855       130.5467 48.15433 6.471444 51.47793 6.040401 -3.323601 
8.852459 
1 1 1 -10 -9  30 o 26.15617 6.587113  201.6257       92.26945 264.6297       
137.4714 149.9735       124.4723 29.11336 9.647683 23.19898 8.971200 5.914383 
13.17423 
1 1 1 -10 -8  1  o 197.3425 3.004303  8177.768       248.7108 8050.479       
343.8276 8317.471       360.2039 195.7359 4.183996 198.9491 4.312485 -3.213120 
6.008606 
1 1 1 -10 -8  2  o 213.5950 3.102063  9464.273       225.4782 9799.438       
499.5294 9378.512       252.6844 215.8703 5.511745 211.3197 2.848128 4.550552 
6.204125 
1 1 1 -10 -8  3  o 212.0030 2.741470  9639.943       222.7620 8955.003       
401.5696 9944.405       267.7326 206.4089 4.633973 217.5970 2.930686 -11.18813 
5.482940 
1 1 1 -10 -8  4  o 124.4105 2.188256  3279.463       97.16242 3197.063       
198.4120 3305.456       111.4388 123.3537 3.831218 125.4673 2.115567 -2.113594 
4.376512 
1 1 1 -10 -8  5  o 188.6485 2.773073  7571.350       188.4897 7296.428       
378.4369 7662.055       217.3709 186.2928 4.838586 191.0043 2.710687 -4.711502 
5.546147 
1 1 1 -10 -8  6  o 120.6267 2.075978  3015.683       87.57814 3130.034       
186.9842 2983.548       99.12283 122.0519 3.649063 119.2014 1.980675 2.850487 
4.151955 
1 1 1 -10 -8  7  o 102.9089 2.683385  2184.298       99.81780 2307.047       
204.0397 2145.678       114.4480 104.7454 4.639817 101.0725 2.697095 3.672852 
5.366770 
1 1 1 -10 -8  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -8  9  o 89.55066 2.160759  1656.905       79.60194 1553.788       
101.5070 1821.604       128.2856 85.99905 2.811404 93.10226 3.282000 -7.103203 
4.321517 
1 1 1 -10 -8  10 o 53.32642 2.159395  597.2580       48.32577 610.1592       
69.55840 585.2206       67.18908 53.88231 3.074853 52.77052 3.032693 1.111797 
4.318790 
1 1 1 -10 -8  11 o 38.36797 2.732397  311.0242       43.79262 343.1474       
61.48796 277.9558       62.38603 40.39212 3.625889 36.34381 4.088632 4.048309 
5.464795 
1 1 1 -10 -8  12 o 158.5067 2.801968  5214.510       179.9038 5018.341       
224.5018 5566.538       300.7417 154.4516 3.462170 162.5618 4.406527 -8.110123 
5.603936 
1 1 1 -10 -8  13 o 272.8245 3.940490  15304.33       372.7134 14987.62       
419.5507 16489.98       811.7616 266.8033 3.745539 278.8456 6.934031 -12.04227 
7.880980 
1 1 1 -10 -8  14 o 175.8319 2.578361  6045.866       130.3851 5884.519       
139.4129 7172.019       368.3161 167.3465 1.984300 184.3173 4.759657 -16.97076 
5.156722 
1 1 1 -10 -8  15 o 249.5174 2.968656  13131.79       276.5605 13131.09       
324.0804 13133.67       530.5151 249.7801 3.090409 249.2547 5.069621 0.5254517 
5.937313 
1 1 1 -10 -8  16 o 83.96717 2.678047  1469.290       93.26337 1588.082       
145.7184 1386.864       121.3807 86.79151 3.999063 81.14283 3.563038 5.648682 
5.356094 
1 1 1 -10 -8  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -8  18 o 161.5843 3.461153  5501.917       227.0047 5599.530       
373.4677 5444.723       285.8758 162.5672 5.471939 160.6014 4.239836 1.965759 
6.922306 
1 1 1 -10 -8  19 o 104.4359 2.765781  2243.298       117.8421 2553.056       
195.6038 2066.817       147.6433 109.8924 4.239656 98.97949 3.552955 10.91289 
5.531561 
1 1 1 -10 -8  20 o 85.64131 2.846725  1530.437       99.79057 1647.584       
162.5973 1459.648       126.3944 88.16801 4.392617 83.11462 3.622193 5.053398 
5.693449 
1 1 1 -10 -8  21 o 87.77668 2.796846  1634.860       100.5506 1622.651       
160.5670 1642.736       128.9697 87.41460 4.375155 88.13876 3.485313 
-0.7241669     5.593692 
1 1 1 -10 -8  22 o 15.91724 4.892232  -12.11782      61.72586 -49.66330      
94.14689 16.18925       81.74752 15.08684 6.850226 16.74765 6.986425 -1.660818 
9.784464 
1 1 1 -10 -8  23 o 32.96399 4.882597  250.8132       65.85358 192.5989       
99.90707 295.5377       87.56973 28.95534 7.970728 36.97264 5.641500 -8.017309 
9.765195 
1 1 1 -10 -8  24 o 60.62664 3.083705  793.8219       76.95331 762.5942       
119.9349 815.6740       100.3279 59.46404 4.804104 61.78925 3.867496 -2.325207 
6.167409 
1 1 1 -10 -8  25 o 25.01395 5.620440  141.2420       65.22136 161.7459       
103.3146 127.6565       84.09718 26.34596 8.344673 23.68194 7.531519 2.664017 
11.24088 
1 1 1 -10 -8  26 o 19.25077 5.461538  52.33743       66.24849 72.10822       
104.2085 38.92723       85.82399 20.68651 8.158751 17.81503 7.262807 2.871481 
10.92308 
1 1 1 -10 -8  27 o 71.56046 3.472850  1128.124       104.1354 1035.908       
144.7252 1227.124       149.9535 68.44253 5.036619 74.67840 4.782804 -6.235870 
6.945700 
1 1 1 -10 -8  28 o 15.67541 5.121103  -59.00424      79.85756 -33.61865      
108.5280 -88.97777      117.9280 16.12458 7.330303 15.22623 7.153282 0.8983498 
10.24221 
1 1 1 -10 -8  29 o 17.92066 5.594097  -2.675370      84.86525 63.78899       
120.5273 -68.02715      119.5143 20.18264 8.455235 15.65868 7.326982 4.523955 
11.18819 
1 1 1 -10 -8  30 o 45.04306 5.307862  527.4666       96.53043 464.9933       
140.8325 582.8253       132.5711 41.29684 8.414598 48.78927 6.472104 -7.492432 
10.61572 
1 1 1 -10 -7  1  o 88.09473 2.372275  1632.167       87.60435 1584.820       
126.3012 1676.064       121.6142 86.86017 3.463442 89.32930 3.242735 -2.469131 
4.744551 
1 1 1 -10 -7  2  o 75.34990 2.343311  1185.172       73.89552 1078.601       
100.1966 1312.265       109.4195 71.65878 3.330463 79.04102 3.297337 -7.382240 
4.686621 
1 1 1 -10 -7  3  o 262.7842 2.575366  14468.88       281.4507 14236.53       
371.8900 14780.36       430.5942 260.3344 3.402547 265.2340 3.866874 -4.899689 
5.150732 
1 1 1 -10 -7  4  o 446.6065 5.915714  42368.91       1044.478 41074.20       
1798.188 43028.15       1283.126 441.0922 9.710169 452.1209 6.759832 -11.02869 
11.83143 
1 1 1 -10 -7  5  o 176.8923 2.753290  6665.639       190.7881 6318.419       
332.4683 6836.123       232.9645 173.3785 4.567475 180.4062 3.075809 -7.027679 
5.506581 
1 1 1 -10 -7  6  f 102.3599 1.856166  2219.045       78.03483 2106.037       
122.1854 2296.892       101.4111 100.1350 2.906393 104.5848 2.309608 -4.449738 
3.712332 
1 1 1 -10 -7  7  o 345.1550 4.184639  25379.40       552.3566 24319.61       
1007.716 25834.56       660.4018 339.7541 7.064712 350.5560 4.487164 -10.80191 
8.369277 
1 1 1 -10 -7  8  o 142.1106 2.641028  4015.513       112.6963 4578.560       
299.6968 3922.786       121.6228 147.5450 4.838143 136.6762 2.119546 10.86876 
5.282055 
1 1 1 -10 -7  9  o 76.83990 2.946417  1240.437       95.05170 0.000000       
0.000000 1240.437       95.05170 ?        ?        76.83990 2.946417 ? ? 
1 1 1 -10 -7  10 o 45.65937 3.844883  438.3387       73.70417 438.3387       
73.70417 0.000000       0.000000 45.65937 3.844883 ?        ?        ? ? 
1 1 1 -10 -7  11 o 70.33546 2.074423  1037.486       61.17274 1000.165       
83.87888 1079.891       89.40825 68.98804 2.896009 71.68289 2.970867 -2.694855 
4.148845 
1 1 1 -10 -7  12 o 59.77253 2.258968  751.2416       56.63411 752.3913       
78.43495 749.9892       81.86026 59.82244 3.122961 59.72262 3.264791 
0.9982300E-01  4.517936 
1 1 1 -10 -7  13 o 165.2066 2.197435  5656.758       147.8816 5413.713       
185.8911 6075.717       244.0625 160.4753 2.759126 169.9379 3.420834 -9.462631 
4.394870 
1 1 1 -10 -7  14 o 35.01143 3.025432  259.0227       44.33497 248.6070       
64.46413 268.3710       61.07157 34.33519 4.471979 35.68767 4.076073 -1.352486 
6.050865 
1 1 1 -10 -7  15 o 59.11508 2.903457  737.7483       71.76388 654.7462       
100.6065 823.7294       102.3960 55.71301 4.301209 62.51715 3.901261 -6.804146 
5.806913 
1 1 1 -10 -7  16 o 193.4727 9.389763  8047.964       762.6990 8047.964       
762.6990 0.000000       0.000000 193.4727 9.389763 ?        ?        ? ? 
1 1 1 -10 -7  17 o 130.7291 3.422271  3603.297       184.5150 3646.876       
290.1670 3573.713       239.0780 131.3164 5.263202 130.1417 4.375666 1.174728 
6.844542 
1 1 1 -10 -7  18 o 45.05970 3.570997  430.5254       67.34407 409.4306       
97.59809 449.6970       93.04291 43.98759 5.284844 46.13181 4.804009 -2.144218 
7.141994 
1 1 1 -10 -7  19 o 74.76727 2.830602  1182.803       88.62103 1126.719       
128.0054 1234.431       122.8139 73.04304 4.174174 76.49152 3.824329 -3.448479 
5.661203 
1 1 1 -10 -7  20 o 134.9695 3.256092  3850.109       182.6951 3928.146       
279.8042 3792.116       241.2101 136.0766 4.897697 133.8624 4.291981 2.214172 
6.512184 
1 1 1 -10 -7  21 o 16.69459 5.057256  -17.30348      64.70057 41.15542       
98.35471 -61.89924      85.90463 19.48142 7.839414 13.90777 6.391162 5.573650 
10.11451 
1 1 1 -10 -7  22 o 94.14920 2.990090  1866.091       116.9496 1994.614       
181.1939 1774.318       153.1131 96.84208 4.456569 91.45633 3.987674 5.385750 
5.980180 
1 1 1 -10 -7  23 o 60.40060 3.136874  782.2621       78.05520 756.5626       
121.6284 800.2578       101.7785 59.45288 4.872852 61.34832 3.951612 -1.895447 
6.273749 
1 1 1 -10 -7  24 o 37.58147 4.584626  308.3312       70.27979 350.9928       
109.3668 278.3225       91.72554 40.00759 6.511247 35.15536 6.455916 4.852230 
9.169252 
1 1 1 -10 -7  25 o 49.60958 3.722458  529.6718       76.80444 576.3472       
118.6665 496.0240       100.7542 51.39075 5.500020 47.82841 5.017624 3.562347 
7.444915 
1 1 1 -10 -7  26 o 27.20838 5.188481  182.7429       68.86691 51.94921       
108.0874 272.1216       89.35083 19.99640 8.151079 34.42036 6.421937 -14.42396 
10.37696 
1 1 1 -10 -7  27 o 44.76732 4.157393  444.6150       77.32007 477.5111       
119.7527 421.0969       101.2545 46.01801 6.198384 43.51663 5.542173 2.501373 
8.314785 
1 1 1 -10 -7  28 o 27.57330 5.766231  190.7539       71.63917 171.1886       
108.0954 206.0784       95.66568 26.26773 8.555008 28.87888 7.733661 -2.611151 
11.53246 
1 1 1 -10 -7  29 f 56.08730 4.050899  724.3244       94.44263 805.6144       
130.9519 636.2142       136.3347 59.78294 5.217419 52.39165 6.198198 7.391281 
8.101797 
1 1 1 -10 -7  30 o 60.70786 3.993550  850.8060       101.0135 721.6796       
136.6252 1006.497       150.0219 55.43002 5.870930 65.98571 5.415343 -10.55569 
7.987099 
1 1 1 -10 -7  31 o 79.63037 3.638626  1476.033       121.3961 1362.604       
166.2740 1605.514       177.6502 76.29520 5.190966 82.96555 5.100222 -6.670341 
7.277252 
1 1 1 -10 -6  1  o 204.5533 3.423091  8846.883       283.5557 8593.391       
463.8025 8998.186       358.3219 202.1636 5.464510 206.9430 4.124238 -4.779419 
6.846182 
1 1 1 -10 -6  2  o 117.7495 2.344813  2879.540       112.2942 2785.663       
141.1001 3041.719       185.4578 115.1694 2.918176 120.3295 3.671081 -5.160172 
4.689625 
1 1 1 -10 -6  3  o 357.2256 4.541060  26581.03       525.5574 27276.18       
1239.103 26428.54       580.3448 359.7809 8.203333 354.6702 3.897467 5.110687 
9.082121 
1 1 1 -10 -6  4  o 328.1788 4.706833  22685.15       589.2300 22623.39       
1090.839 22710.60       700.1633 327.6855 7.929113 328.6722 5.074081 
-0.9867554     9.413667 
1 1 1 -10 -6  5  o 310.2408 3.399269  20302.40       331.4459 20128.01       
805.4127 20337.96       363.6670 309.2910 6.202579 311.1907 2.783545 -1.899780 
6.798538 
1 1 1 -10 -6  6  o 266.1205 2.700677  14959.13       261.3216 14722.26       
520.4254 15038.99       302.1787 264.6419 4.684043 267.5990 2.689679 -2.957062 
5.401355 
1 1 1 -10 -6  7  o 303.2396 4.545383  19756.39       517.6699 18455.91       
966.6057 20279.41       612.9893 295.8988 7.780853 310.5805 4.701103 -14.68167 
9.090767 
1 1 1 -10 -6  8  o 316.5358 2.426153  20760.46       302.0177 20242.48       
365.4471 21876.46       536.4108 310.4403 2.803932 322.6312 3.960155 -12.19089 
4.852305 
1 1 1 -10 -6  9  o 206.0489 2.503675  8890.984       214.2223 8719.489       
281.5897 9126.605       330.0638 203.7133 3.292445 208.3845 3.772711 -4.671188 
5.007349 
1 1 1 -10 -6  10 o 66.13518 2.304439  919.1204       63.98409 918.0994       
90.67033 920.1332       90.30511 66.09841 3.267347 66.17194 3.250570 
-0.7353210E-01 4.608878 
1 1 1 -10 -6  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -6  12 o 180.2715 2.622440  6832.056       197.8351 6797.878       
268.8533 6872.416       292.1599 179.7936 3.561740 180.7494 3.850035 
-0.9558563     5.244880 
1 1 1 -10 -6  13 o 188.9769 2.827764  7210.510       169.6286 7056.244       
185.5857 7993.619       418.1398 183.2506 2.412239 194.7032 5.115282 -11.45262 
5.655529 
1 1 1 -10 -6  14 o 128.4832 3.209311  3482.601       172.2767 3506.110       
232.9043 3454.197       256.0027 128.9902 4.300725 127.9761 4.764712 1.014107 
6.418622 
1 1 1 -10 -6  15 o 103.3352 6.052473  2261.737       262.5790 2261.737       
262.5790 0.000000       0.000000 103.3352 6.052473 ?        ?        ? ? 
1 1 1 -10 -6  16 o 146.1851 4.404799  4509.664       234.8737 4581.839       
468.4335 4485.425       271.4630 146.5846 7.611680 145.7856 4.435241 0.7990417 
8.809599 
1 1 1 -10 -6  17 o 18.26763 5.103393  35.16817       59.55363 -3.712262      
87.85844 68.21685       81.00187 16.52804 7.082191 20.00721 7.349901 -3.479166 
10.20679 
1 1 1 -10 -6  18 o 181.0060 3.706364  6929.081       281.6460 6891.874       
396.2427 6967.073       400.4052 180.5183 5.228308 181.4936 5.254839 
-0.9752960     7.412728 
1 1 1 -10 -6  19 o 76.17749 2.769507  1217.894       88.17807 1285.048       
132.3522 1164.295       118.2425 78.04501 4.039310 74.30998 3.790071 3.735023 
5.539013 
1 1 1 -10 -6  20 o 77.74007 2.821154  1257.530       91.17619 1411.813       
141.5296 1148.072       119.2095 81.73910 4.124187 73.74105 3.850548 7.998047 
5.642308 
1 1 1 -10 -6  21 o 111.3427 3.151531  2618.843       145.0865 2680.211       
226.8384 2576.356       188.7413 112.3536 4.808953 110.3317 4.074625 2.021942 
6.303063 
1 1 1 -10 -6  22 o 73.74678 3.538673  1091.787       95.27774 1297.731       
196.5815 1028.556       108.9268 77.78433 6.019655 69.70922 3.721906 8.075111 
7.077347 
1 1 1 -10 -6  23 o 13.95535 4.596689  -107.5092      65.72549 -20.24424      
101.6770 -170.1458      86.14240 16.88212 7.426971 11.02858 5.418331 5.853535 
9.193378 
1 1 1 -10 -6  24 o 90.25102 2.827572  1703.877       105.5722 1917.504       
167.3554 1562.675       136.0600 94.79365 4.205151 85.70840 3.781187 9.085243 
5.655145 
1 1 1 -10 -6  25 o 29.27908 5.697351  196.5688       71.28763 224.1089       
111.9829 177.8035       92.43736 30.86422 8.413387 27.69395 7.684668 3.170273 
11.39470 
1 1 1 -10 -6  26 o 52.46670 3.703183  609.0587       80.06962 547.3719       
121.3713 656.5934       106.5433 49.85397 5.798788 55.07944 4.607419 -5.225471 
7.406365 
1 1 1 -10 -6  27 o 61.53934 3.312686  813.8610       84.67826 907.7557       
131.8948 748.0217       110.4461 64.41869 4.876823 58.65998 4.484658 5.758709 
6.625372 
1 1 1 -10 -6  28 o 42.12109 4.642179  415.2528       77.84106 383.2440       
121.3743 437.6165       101.4527 39.95533 7.511760 44.28685 5.456445 -4.331520 
9.284359 
1 1 1 -10 -6  29 o 55.25086 3.740330  681.4210       85.26186 709.2290       
134.4211 662.7022       110.2863 55.87413 5.730304 54.62760 4.808731 1.246525 
7.480660 
1 1 1 -10 -6  30 o 17.58027 5.455235  -43.19007      85.27373 -175.7875      
117.8833 102.3522       123.5035 13.16662 6.433384 21.99392 8.811920 -8.827296 
10.91047 
1 1 1 -10 -6  31 o 45.12727 5.158174  507.3716       93.74274 396.2270       
123.2209 660.0848       144.4370 38.57341 7.881219 51.68113 6.656832 -13.10773 
10.31635 
1 1 1 -10 -5  1  o 388.3419 5.841598  32024.69       908.2033 30929.90       
1521.962 32630.11       1131.801 382.9225 9.467035 393.7613 6.846336 -10.83878 
11.68320 
1 1 1 -10 -5  2  o 167.3328 3.109125  5835.185       203.2439 6016.770       
363.7254 5752.747       245.0749 169.1783 5.120944 165.4873 3.527403 3.690948 
6.218250 
1 1 1 -10 -5  3  o 320.1769 4.695255  21435.31       425.5078 21758.86       
1180.373 21386.98       456.1791 321.2666 8.751347 319.0873 3.405234 2.179260 
9.390511 
1 1 1 -10 -5  4  o 137.8324 2.561119  3914.853       124.2630 4131.154       
263.9210 3853.244       140.8523 140.2043 4.483671 135.4604 2.476696 4.743835 
5.122239 
1 1 1 -10 -5  5  o 285.0276 4.294319  17008.78       401.4912 17223.60       
928.5580 16959.38       445.2649 285.9356 7.735028 284.1196 3.732831 1.816010 
8.588637 
1 1 1 -10 -5  6  o 172.0692 1.798219  5942.147       117.8126 5596.698       
137.9832 6871.446       226.3142 163.2627 2.013077 180.8757 2.980250 -17.61298 
3.596439 
1 1 1 -10 -5  7  o 20.37321 4.557856  86.47872       42.53638 73.95123       
73.96395 92.66953       51.99501 20.05361 7.056749 20.69282 5.770484 
-0.6392078     9.115712 
1 1 1 -10 -5  8  o 51.68649 2.172327  559.8425       47.02364 507.0264       
64.94130 618.0578       68.17977 49.12897 3.148505 54.24399 2.993815 -5.115017 
4.344653 
1 1 1 -10 -5  9  o 286.3661 2.352787  17039.99       270.9445 16590.09       
335.6512 17881.44       459.0334 281.0344 2.844788 291.6978 3.748281 -10.66342 
4.705575 
1 1 1 -10 -5  10 o 284.9070 2.628796  17024.74       314.1070 16162.59       
432.8683 17983.60       456.5022 277.3046 3.718089 292.5095 3.717269 -15.20486 
5.257592 
1 1 1 -10 -5  11 o 216.6263 2.571287  9970.166       220.0749 9548.484       
378.2274 10186.00       270.5983 213.0724 4.228114 220.1802 2.927305 -7.107712 
5.142574 
1 1 1 -10 -5  12 o 62.24897 3.215071  814.4940       84.02367 0.000000       
0.000000 814.4940       84.02367 ?        ?        62.24897 3.215071 ? ? 
1 1 1 -10 -5  13 o 107.7455 2.972734  2445.627       133.9746 2419.674       
197.6086 2467.703       182.2585 107.2027 4.390574 108.2882 4.008921 -1.085571 
5.945468 
1 1 1 -10 -5  14 o 25.88399 4.743955  153.6136       64.90656 248.9187       
79.33113 -39.36627      112.8864 34.33723 5.502998 17.43075 7.729000 16.90648 
9.487910 
1 1 1 -10 -5  15 o 172.3643 7.437706  6314.942       538.2267 0.000000       
0.000000 6314.942       538.2267 ?        ?        172.3643 7.437706 ? ? 
1 1 1 -10 -5  16 o 260.4392 4.747301  14314.40       515.6013 15179.25       
784.1121 13655.60       684.3645 267.1971 6.989844 253.6814 6.425693 13.51575 
9.494601 
1 1 1 -10 -5  17 o 57.84504 3.003054  706.9087       72.16685 698.5731       
109.9684 713.2140       95.64317 57.52375 4.553461 58.16633 3.916547 
-0.6425743     6.006109 
1 1 1 -10 -5  18 o 73.64131 2.809239  1151.743       86.19099 1043.485       
125.8152 1247.479       118.3152 70.33276 4.260853 76.94986 3.662297 -6.617096 
5.618477 
1 1 1 -10 -5  19 o 75.26772 2.835237  1191.587       89.17857 1226.226       
133.4742 1163.655       119.8569 76.23907 4.170046 74.29636 3.842525 1.942711 
5.670475 
1 1 1 -10 -5  20 o 113.8906 2.734194  2703.408       128.9030 2931.645       
202.9744 2549.137       166.8746 117.8327 4.102952 109.9485 3.615115 7.884270 
5.468389 
1 1 1 -10 -5  21 o 152.5511 3.459267  4918.159       220.1208 5098.402       
333.1445 4778.497       293.2530 154.9454 5.121240 150.1568 4.651775 4.788605 
6.918533 
1 1 1 -10 -5  22 o 30.08935 5.367753  204.3501       67.71418 191.4748       
100.9267 214.8903       91.31738 29.21083 7.998192 30.96787 7.161006 -1.757036 
10.73551 
1 1 1 -10 -5  23 o 97.34189 2.907617  2019.702       117.8300 1942.226       
176.5195 2081.969       158.2474 95.57258 4.399269 99.11119 3.803075 -3.538612 
5.815234 
1 1 1 -10 -5  24 o 30.37952 5.235061  213.5952       65.89867 184.6846       
102.0711 234.2585       86.29286 28.47822 8.131834 32.28082 6.595206 -3.802595 
10.47012 
1 1 1 -10 -5  25 o 74.47396 2.871775  1183.240       89.54340 1205.104       
132.1186 1164.664       121.7793 75.06728 4.192126 73.88065 3.926124 1.186630 
5.743550 
1 1 1 -10 -5  26 f 31.91625 5.470999  248.0722       73.66192 174.2938       
113.1537 302.3340       97.04023 27.39695 8.738635 36.43556 6.585103 -9.038612 
10.94200 
1 1 1 -10 -5  27 o 40.82912 4.655545  392.4047       73.55604 328.6942       
118.5724 432.2600       93.78230 37.18367 7.840261 44.47456 5.022620 -7.290890 
9.311090 
1 1 1 -10 -5  28 o 19.66939 5.557773  21.72062       74.91858 140.3795       
116.2413 -62.59227      97.98447 24.76359 8.833130 14.57518 6.747678 10.18840 
11.11555 
1 1 1 -10 -5  29 o 16.68857 5.227399  -9.621403      71.68095 14.37418       
110.6020 -26.99977      94.12428 18.07863 7.849542 15.29852 6.905612 2.780114 
10.45480 
1 1 1 -10 -5  30 o 58.49217 3.608102  771.8088       87.75291 751.9874       
132.2940 787.3822       117.2637 57.52084 5.478176 59.46350 4.697148 -1.942661 
7.216205 
1 1 1 -10 -5  31 f 50.84740 4.537446  622.2239       96.85191 622.7333       
137.9855 621.7292       135.9751 50.81626 6.467731 50.87853 6.365698 
-0.6227493E-01 9.074892 
1 1 1 -10 -5  32 o 53.58429 4.585054  707.7740       102.3361 826.2579       
149.4501 603.1732       140.4217 58.24532 6.111619 48.92327 6.836594 9.322048 
9.170109 
1 1 1 -10 -4  1  o 410.2465 7.419292  35581.89       1272.839 35033.64       
1877.364 36048.32       1731.593 407.2028 10.98143 413.2901 9.979572 -6.087311 
14.83858 
1 1 1 -10 -4  2  o 289.0460 3.548125  17659.78       416.3481 17955.88       
527.9507 17172.72       677.1082 292.3210 4.301843 285.7711 5.643660 6.549866 
7.096249 
1 1 1 -10 -4  3  o 80.31139 2.173257  1380.921       66.72623 1290.409       
121.0201 1420.455       79.98211 78.37486 3.677917 82.24792 2.316269 -3.873062 
4.346514 
1 1 1 -10 -4  4  o 298.2410 2.722789  18602.33       337.2861 18129.71       
443.0935 19253.49       520.0953 293.7734 3.592559 302.7086 4.092412 -8.935150 
5.445578 
1 1 1 -10 -4  5  o 540.8665 7.334729  62273.96       1439.376 60829.00       
2867.172 62760.82       1664.294 535.7808 12.74640 545.9521 7.261004 -10.17133 
14.66946 
1 1 1 -10 -4  6  o 98.10634 2.248880  2060.747       88.50925 1882.598       
145.3845 2165.657       111.5670 94.66259 3.658144 101.5501 2.616836 -6.887497 
4.497760 
1 1 1 -10 -4  7  o 451.9081 3.275665  42830.40       576.7887 42666.82       
695.6953 43190.06       1031.589 450.6448 3.677103 453.1714 5.422070 -2.526611 
6.551330 
1 1 1 -10 -4  8  o 463.1270 5.465761  44953.32       1050.724 43589.18       
1376.524 46857.79       1626.447 454.8787 7.207909 471.3753 8.218528 -16.49661 
10.93152 
1 1 1 -10 -4  9  o 333.6382 3.403338  23295.54       455.6365 23031.35       
564.9246 23787.31       770.7314 331.0279 4.064872 336.2484 5.459638 -5.220520 
6.806676 
1 1 1 -10 -4  10 o 45.89238 2.330855  442.7116       44.64425 381.3596       
62.12645 508.2224       64.19750 42.60088 3.473593 49.18388 3.108969 -6.582993 
4.661710 
1 1 1 -10 -4  11 o 223.7042 2.853220  10547.02       265.7763 10317.91       
400.0553 10728.02       355.5904 221.4997 4.301975 225.9087 3.749196 -4.408920 
5.706440 
1 1 1 -10 -4  12 o 206.2397 1.891806  8915.270       163.2143 8702.060       
220.4910 9173.700       242.7511 203.5245 2.580448 208.9549 2.767131 -5.430374 
3.783613 
1 1 1 -10 -4  13 o 71.41380 2.781977  1069.896       83.17110 961.4232       
114.6221 1190.517       120.8699 67.59743 4.038863 75.23017 3.826901 -7.632744 
5.563954 
1 1 1 -10 -4  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -4  15 o 97.19320 2.736911  1995.855       110.9218 1927.259       
165.2107 2052.153       149.6722 95.64783 4.114187 98.73857 3.610566 -3.090744 
5.473822 
1 1 1 -10 -4  16 o 30.38620 4.736861  206.3764       58.98690 243.3917       
81.17269 164.9578       85.86508 33.39649 6.008167 27.37592 7.324845 6.020576 
9.473722 
1 1 1 -10 -4  17 o 196.7418 4.260328  8143.594       343.1223 8484.673       
555.1167 7932.713       436.4908 199.8508 6.616060 193.6328 5.369294 6.217987 
8.520656 
1 1 1 -10 -4  18 o 131.2164 3.346264  3637.960       183.4052 3617.850       
273.0823 3654.485       247.5426 130.8452 4.971152 131.5877 4.480801 
-0.7425690     6.692528 
1 1 1 -10 -4  19 o 181.7223 4.378068  6938.159       321.7468 7254.788       
537.2673 6761.112       401.7540 184.6835 6.929206 178.7612 5.353133 5.922287 
8.756137 
1 1 1 -10 -4  20 o 123.1843 3.329978  3159.486       165.9210 3384.265       
278.4547 3035.742       206.6043 126.4282 5.246042 119.9405 4.102934 6.487640 
6.659956 
1 1 1 -10 -4  21 o 54.03352 3.463828  607.1060       77.83414 720.5264       
119.9992 524.7341       102.2639 58.30759 4.902012 49.75945 4.895171 8.548141 
6.927657 
1 1 1 -10 -4  22 o 30.00855 4.974263  185.7936       67.39728 323.7746       
102.0798 79.16288       89.73696 38.88985 6.252082 21.12725 7.738517 17.76260 
9.948526 
1 1 1 -10 -4  23 o 40.97624 3.981437  356.9104       68.11134 381.6130       
103.0535 337.7495       90.76116 42.20040 5.816573 39.75208 5.438276 2.448315 
7.962874 
1 1 1 -10 -4  24 o 68.76168 3.130379  1015.006       89.37341 945.4327       
133.9105 1070.890       120.0144 66.53362 4.793961 70.98975 4.026789 -4.456131 
6.260758 
1 1 1 -10 -4  25 o 78.93184 2.946142  1313.839       95.14887 1399.738       
154.8177 1261.700       120.6173 80.85143 4.560937 77.01225 3.730532 3.839188 
5.892284 
1 1 1 -10 -4  26 o 84.29592 3.003991  1550.819       103.3835 1393.254       
161.4058 1660.433       134.6241 80.35912 4.784152 88.23272 3.634245 -7.873596 
6.007982 
1 1 1 -10 -4  27 o 58.85903 3.575628  758.7619       86.42027 736.0622       
135.8736 774.1835       111.9925 57.87381 5.592091 59.84426 4.457462 -1.970455 
7.151255 
1 1 1 -10 -4  28 o 42.46806 4.555428  403.8924       80.10126 426.6699       
125.2137 388.1138       104.2156 43.25743 6.894647 41.67868 5.955798 1.578751 
9.110855 
1 1 1 -10 -4  29 o 37.95784 5.149391  353.6591       79.45852 188.3737       
111.3027 525.4483       113.4714 27.48954 8.655351 48.42613 5.581200 -20.93659 
10.29878 
1 1 1 -10 -4  30 o 28.00695 5.774799  208.5928       77.23043 113.7948       
124.5288 267.8438       98.45061 22.97853 8.955179 33.03538 7.293696 -10.05684 
11.54960 
1 1 1 -10 -4  31 o 51.28622 4.145191  609.1866       87.92009 627.2272       
137.0001 596.5540       114.6417 51.50934 6.335135 51.06310 5.347570 0.4462433 
8.290382 
1 1 1 -10 -4  32 o 62.31541 4.073008  921.9075       106.2140 1027.964       
155.7469 829.6990       145.2233 65.80791 5.637185 58.82292 5.880453 6.984997 
8.146016 
1 1 1 -10 -3  1  o 338.9412 5.863779  24241.89       832.9692 23377.97       
1199.872 25045.55       1157.275 333.0592 8.580936 344.8232 7.993944 -11.76401 
11.72756 
1 1 1 -10 -3  2  o 250.4487 3.750419  13302.71       351.4684 12931.15       
667.3507 13445.33       413.4559 247.9193 6.411576 252.9780 3.892848 -5.058701 
7.500838 
1 1 1 -10 -3  3  o 250.7565 3.266717  13359.81       310.3166 12876.83       
576.2492 13557.07       368.2766 247.4647 5.546488 254.0483 3.452859 -6.583542 
6.533434 
1 1 1 -10 -3  4  o 355.4760 4.549113  27039.50       647.6322 25019.03       
1071.603 28202.12       812.8806 344.7028 7.404746 366.2492 5.286535 -21.54642 
9.098226 
1 1 1 -10 -3  5  o 347.3759 4.880298  26189.10       590.2123 23987.06       
1227.649 26851.07       673.1061 337.3098 8.668945 357.4420 4.485378 -20.13226 
9.760595 
1 1 1 -10 -3  6  o 289.4880 2.833339  17533.49       338.8719 17199.05       
439.6355 18023.07       531.9183 286.1242 3.659816 292.8518 4.326314 -6.727600 
5.666678 
1 1 1 -10 -3  7  o 371.6031 3.991478  29027.00       622.5248 28159.82       
868.4446 29943.55       892.8277 365.8967 5.653335 377.3096 5.636258 -11.41287 
7.982957 
1 1 1 -10 -3  8  o 140.4783 1.880698  4082.267       107.4106 3907.659       
134.6081 4388.310       178.2088 136.4126 2.350378 144.5441 2.936634 -8.131470 
3.761396 
1 1 1 -10 -3  9  o 379.4285 4.577921  30278.03       728.7894 29344.84       
1008.979 31296.00       1053.810 373.3293 6.437410 385.5278 6.510698 -12.19858 
9.155842 
1 1 1 -10 -3  10 o 91.87305 1.802515  1771.086       69.41875 1637.555       
96.65184 1913.367       99.76821 88.29849 2.607222 95.44762 2.489707 -7.149124 
3.605030 
1 1 1 -10 -3  11 o 171.6647 2.059633  5982.233       136.7570 5679.345       
162.2712 6724.715       254.0642 164.4419 2.350446 178.8875 3.382863 -14.44566 
4.119267 
1 1 1 -10 -3  12 o 50.96913 2.421599  512.3981       50.06200 689.2977       
85.30254 419.4597       61.82959 57.26359 3.548171 44.67467 3.296522 12.58892 
4.843199 
1 1 1 -10 -3  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -3  14 o 311.7369 6.399620  20656.95       823.0437 20724.16       
1289.792 20610.78       1068.977 311.7905 9.853217 311.6834 8.169127 0.1070862 
12.79924 
1 1 1 -10 -3  15 o 146.5036 4.501884  4523.335       276.8991 0.000000       
0.000000 4523.335       276.8991 ?        ?        146.5036 4.501884 ? ? 
1 1 1 -10 -3  16 o 167.0944 3.970177  5877.245       265.6963 5994.655       
450.9537 5814.814       328.8336 168.1868 6.386475 166.0020 4.718281 2.184708 
7.940355 
1 1 1 -10 -3  17 o 24.20813 5.146172  122.8649       60.88972 52.33706       
89.50864 183.6157       83.07317 19.59748 7.601562 28.81878 6.938918 -9.221291 
10.29234 
1 1 1 -10 -3  18 o 142.4432 3.710427  4280.550       218.0896 4349.119       
342.6983 4233.879       282.7310 143.3047 5.696034 141.5817 4.756499 1.722992 
7.420855 
1 1 1 -10 -3  19 o 185.6681 4.617292  7260.527       347.8997 7551.158       
575.3836 7093.047       436.7861 188.3161 7.277647 183.0200 5.684487 5.296127 
9.234584 
1 1 1 -10 -3  20 o 53.80131 3.397320  600.6204       75.75436 680.7928       
119.2884 546.4351       98.06783 56.73967 5.007632 50.86295 4.592467 5.876720 
6.794640 
1 1 1 -10 -3  21 o 22.30028 5.724757  89.10161       69.34975 76.26023       
102.8816 99.79539       93.88532 21.83061 8.233239 22.76995 7.956452 
-0.9393406     11.44951 
1 1 1 -10 -3  22 o 177.5856 3.927093  6698.391       284.4179 6785.023       
461.6100 6645.377       361.1041 178.2153 6.169518 176.9559 4.860583 1.259415 
7.854186 
1 1 1 -10 -3  23 o 79.60858 2.934252  1354.639       96.83231 1261.533       
146.0517 1427.666       129.3478 77.07661 4.513415 82.14055 3.750789 -5.063942 
5.868503 
1 1 1 -10 -3  24 o 105.3867 3.301720  2368.262       145.9861 2285.857       
207.4444 2449.115       205.4808 103.5342 4.772423 107.2393 4.563925 -3.705063 
6.603441 
1 1 1 -10 -3  25 o 89.78870 3.076952  1689.158       113.7604 1878.111       
183.0342 1570.222       145.2148 93.69997 4.652794 85.87742 4.027661 7.822548 
6.153905 
1 1 1 -10 -3  26 o 80.79790 2.890642  1389.458       95.71353 1426.100       
153.7879 1366.291       122.2832 81.50888 4.494053 80.08691 3.636858 1.421967 
5.781284 
1 1 1 -10 -3  27 o 24.40131 5.788687  133.1789       70.23666 116.1054       
104.3534 147.3193       94.96790 23.48491 8.370050 25.31770 7.998614 -1.832785 
11.57737 
1 1 1 -10 -3  28 o 28.77589 6.173239  201.4653       80.99243 190.0217       
121.5399 210.6064       108.6262 28.07741 9.066885 29.47438 8.380163 -1.396963 
12.34648 
1 1 1 -10 -3  29 o 59.64374 3.740080  785.9067       93.40545 869.2098       
136.5222 712.5959       128.0728 62.66334 5.189324 56.62413 5.387365 6.039204 
7.480160 
1 1 1 -10 -3  30 o 18.73939 5.371085  22.04599       74.17135 -84.76180      
106.9484 121.0240       102.9538 14.51877 6.818637 22.96001 8.300628 -8.441237 
10.74217 
1 1 1 -10 -3  31 o 62.94373 3.675940  883.3091       96.42591 1017.066       
147.3782 783.1942       127.5042 67.01508 5.238197 58.87238 5.158626 8.142693 
7.351879 
1 1 1 -10 -3  32 f 20.01845 5.828878  74.41543       82.33231 12.41614       
124.7871 122.2101       109.5636 17.96054 8.035259 22.07636 8.446176 -4.115826 
11.65776 
1 1 1 -10 -2  1  o 38.60805 3.353434  313.2653       54.31131 312.9834       
75.28251 313.5713       78.42970 38.59087 4.646550 38.62523 4.836493 
-0.3435898E-01 6.706869 
1 1 1 -10 -2  2  o 94.42427 2.489154  1881.120       98.16377 1772.136       
143.7375 1976.380       134.3832 91.84609 3.727611 97.00246 3.299767 -5.156364 
4.978307 
1 1 1 -10 -2  3  o 105.7308 1.876481  2344.021       80.62995 2361.691       
131.9956 2333.503       101.8385 106.0431 2.964817 105.4185 2.300997 0.6246490 
3.752963 
1 1 1 -10 -2  4  o 201.9312 3.115295  8808.810       224.4340 8113.137       
451.7100 9036.838       258.6140 196.4297 5.477390 207.4326 2.969586 -11.00293 
6.230590 
1 1 1 -10 -2  5  o 360.2348 3.216648  27252.57       486.2222 26037.77       
678.2642 28536.81       697.3782 351.9789 4.589902 368.4907 4.507782 -16.51187 
6.433296 
1 1 1 -10 -2  6  o 400.7065 3.123386  33343.76       498.3832 32515.26       
610.6489 34996.58       862.5007 393.4091 3.697160 408.0039 5.035194 -14.59476 
6.246773 
1 1 1 -10 -2  7  o 102.5324 1.718804  2204.891       73.93301 2092.187       
102.6860 2326.201       106.5343 99.81495 2.450399 105.2498 2.410954 -5.434898 
3.437609 
1 1 1 -10 -2  8  o 129.8463 1.930238  3528.841       105.0049 3360.711       
142.9503 3725.870       154.7491 126.4996 2.691640 133.1931 2.767372 -6.693443 
3.860476 
1 1 1 -10 -2  9  o 140.7751 1.934897  4127.973       113.8007 3825.914       
152.0416 4512.768       171.6056 134.9689 2.683181 146.5813 2.788520 -11.61249 
3.869794 
1 1 1 -10 -2  10 f 26.41073 4.084268  156.9024       44.51102 110.0141       
68.82613 190.6117       58.35749 22.71305 6.738786 30.10841 4.616681 -7.395361 
8.168536 
1 1 1 -10 -2  11 o 140.5821 2.319531  4212.405       128.7254 3973.766       
220.7083 4335.432       158.4700 137.4970 3.823371 143.6673 2.627304 -6.170258 
4.639061 
1 1 1 -10 -2  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -2  13 o 53.27810 2.409802  609.1860       52.03442 544.5276       
82.86418 651.2811       66.86037 50.88388 3.878892 55.67231 2.860557 -4.788437 
4.819605 
1 1 1 -10 -2  14 o 76.21436 2.145324  1212.009       67.32758 1266.151       
107.1809 1176.720       86.53062 77.60065 3.289827 74.82807 2.754396 2.772575 
4.290648 
1 1 1 -10 -2  15 o 127.6774 2.654554  3441.453       130.6762 3403.705       
236.9942 3457.944       156.6395 127.1072 4.441080 128.2475 2.909200 -1.140282 
5.309108 
1 1 1 -10 -2  16 o 145.3605 3.388650  4450.688       203.9019 4501.503       
316.7206 4414.720       266.4683 146.0084 5.166775 144.7127 4.385913 1.295715 
6.777300 
1 1 1 -10 -2  17 o 101.3262 4.158816  2164.823       176.9173 2164.823       
176.9173 0.000000       0.000000 101.3262 4.158816 ?        ?        ? ? 
1 1 1 -10 -2  18 o 130.4029 3.165455  3530.241       162.1344 3756.018       
289.1519 3426.700       195.8138 133.2749 5.167717 127.5309 3.657203 5.744041 
6.330911 
1 1 1 -10 -2  19 o 213.0247 4.666520  9600.490       390.5146 9743.780       
688.0843 9532.407       474.3016 213.7608 7.667161 212.2887 5.321681 1.472183 
9.333040 
1 1 1 -10 -2  20 o 133.3889 3.025804  3705.025       161.9621 3920.290       
276.1136 3592.105       199.9797 136.2102 4.828356 130.5676 3.648140 5.642578 
6.051608 
1 1 1 -10 -2  21 o 95.45145 2.913163  1864.758       112.1237 2130.653       
191.8881 1726.909       138.1643 100.4012 4.552292 90.50165 3.636306 9.899590 
5.826327 
1 1 1 -10 -2  22 o 151.8988 3.146924  4892.700       199.6634 4797.771       
296.1204 4971.835       270.3670 150.4759 4.687296 153.3217 4.200211 -2.845825 
6.293848 
1 1 1 -10 -2  23 o 113.1729 3.166362  2704.267       145.5588 2769.863       
239.3473 2665.768       183.3643 114.1095 4.996061 112.2362 3.891372 1.873253 
6.332725 
1 1 1 -10 -2  24 o 88.84300 2.882109  1681.928       106.2860 1623.071       
161.3455 1727.049       141.2694 87.38641 4.397786 90.29958 3.726349 -2.913170 
5.764217 
1 1 1 -10 -2  25 o 61.31676 3.519861  813.9356       89.50867 724.3731       
132.2780 889.5819       121.5679 58.05719 5.426909 64.57633 4.484009 -6.519138 
7.039721 
1 1 1 -10 -2  26 o 138.1499 3.476429  4086.646       200.7731 4306.395       
300.8673 3910.231       269.5751 141.3770 5.068944 134.9229 4.758995 6.454071 
6.952857 
1 1 1 -10 -2  27 o 40.11269 4.903944  363.1677       79.45029 460.8686       
116.0684 277.0274       108.9852 45.79580 6.036836 34.42958 7.729894 11.36621 
9.807887 
1 1 1 -10 -2  28 o 52.91818 3.950527  632.4858       85.13129 523.4866       
129.1663 716.1975       113.1959 48.41726 6.354334 57.41911 4.695647 -9.001858 
7.901054 
1 1 1 -10 -2  29 o 21.19386 5.991747  73.40121       81.42891 43.20265       
123.5309 96.60569       108.2850 20.29662 8.534046 22.09109 8.412741 -1.794472 
11.98349 
1 1 1 -10 -2  30 o 33.08674 5.814238  277.2815       82.31802 200.8971       
118.1130 349.4266       114.7887 28.15147 8.922899 38.02201 7.456764 -9.870535 
11.62848 
1 1 1 -10 -2  31 o 45.76945 4.376664  483.3997       83.98252 513.9792       
122.6316 456.3906       115.2502 47.12256 6.198612 44.41634 6.180450 2.706219 
8.753328 
1 1 1 -10 -2  32 o 27.37030 6.287354  205.7110       82.19949 212.9245       
124.9678 200.2100       109.1304 27.58712 9.198478 27.15349 8.573871 0.4336281 
12.57471 
1 1 1 -10 -2  33 o 30.11971 6.300662  262.0272       95.23582 413.9843       
138.4938 125.7129       131.1718 38.09618 8.825090 22.14324 8.995062 15.95294 
12.60132 
1 1 1 -10 -1  1  o 469.7089 6.805285  46686.15       1263.100 46969.25       
1547.189 46120.41       2187.151 472.2497 7.803559 467.1682 11.15133 5.081451 
13.61057 
1 1 1 -10 -1  2  o 93.25360 2.469559  1825.974       96.51368 1838.610       
140.9854 1814.830       132.4007 93.55537 3.589437 92.95184 3.392761 0.6035233 
4.939118 
1 1 1 -10 -1  3  o 110.2628 2.398643  2573.354       99.45389 2509.590       
187.5289 2598.306       117.3102 109.2895 4.087060 111.2361 2.511951 -1.946602 
4.797287 
1 1 1 -10 -1  4  o 259.4449 4.421790  14069.87       416.7682 14342.25       
838.2070 13980.41       480.3536 260.9622 7.650585 257.9276 4.435926 3.034698 
8.843579 
1 1 1 -10 -1  5  o 311.4297 4.708465  20622.94       585.0922 19715.59       
984.9118 21117.77       727.3430 305.9532 7.667669 316.9061 5.466756 -10.95288 
9.416930 
1 1 1 -10 -1  6  o 375.1967 3.346555  28982.45       475.7715 28215.36       
559.0641 30996.93       905.9853 366.4801 3.633560 383.9133 5.620941 -17.43323 
6.693111 
1 1 1 -10 -1  7  o 217.6962 2.254575  9795.207       197.4229 9422.297       
244.0404 10501.45       335.8436 211.8137 2.744282 223.5787 3.577896 -11.76500 
4.509149 
1 1 1 -10 -1  8  o 156.2642 1.921740  5119.894       125.7009 5024.741       
170.5967 5232.917       185.9268 154.6808 2.626971 157.8476 2.805595 -3.166794 
3.843480 
1 1 1 -10 -1  9  o 219.7987 3.238309  10166.21       294.0104 10099.04       
458.0389 10213.28       383.4266 219.1518 4.978270 220.4456 4.142876 -1.293793 
6.476619 
1 1 1 -10 -1  10 o 444.0417 5.340436  41957.46       841.3477 40841.97       
1730.753 42302.63       962.7571 439.6203 9.377314 448.4631 5.113415 -8.842804 
10.68087 
1 1 1 -10 -1  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -1  12 o 246.3116 4.720059  12923.11       359.9351 12598.12       
886.6362 12987.23       393.8483 244.0670 8.652816 248.5563 3.774202 -4.489334 
9.440118 
1 1 1 -10 -1  13 o 132.7068 2.381735  3722.474       129.0558 3611.184       
206.6855 3793.591       165.2233 131.0504 3.756582 134.3633 2.928949 -3.312927 
4.763470 
1 1 1 -10 -1  14 o 357.3270 4.731694  26917.89       687.5637 27200.54       
1124.072 26748.91       869.1114 358.5443 7.467449 356.1096 5.813167 2.434692 
9.463387 
1 1 1 -10 -1  15 o 123.9405 2.115435  3241.631       107.2486 3175.376       
171.3719 3284.286       137.5045 122.8732 3.322029 125.0078 2.619996 -2.134598 
4.230869 
1 1 1 -10 -1  16 o 172.7339 2.493931  6342.263       172.4949 6066.943       
288.2348 6495.887       215.3070 169.7132 4.045311 175.7547 2.917913 -6.041473 
4.987861 
1 1 1 -10 -1  17 o 135.2825 3.222644  3847.637       182.1569 3998.373       
273.3553 3727.240       244.3035 137.6303 4.730799 132.9348 4.377358 4.695496 
6.445287 
1 1 1 -10 -1  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 -1  19 o 61.28511 3.098431  797.4912       79.05989 746.3207       
117.3310 840.0450       106.9973 59.44930 4.700967 63.12092 4.037573 -3.671627 
6.196861 
1 1 1 -10 -1  20 o 127.2806 3.356017  3400.635       176.7931 3545.261       
276.5960 3300.737       229.8815 129.4959 5.087576 125.0653 4.378125 4.430626 
6.712034 
1 1 1 -10 -1  21 o 107.4207 2.748388  2431.457       122.2963 2447.303       
189.2833 2420.103       160.2307 107.6805 4.186934 107.1609 3.561479 0.5196152 
5.496776 
1 1 1 -10 -1  22 o 89.95171 3.097206  1698.906       115.6072 1791.113       
179.5291 1633.584       151.1065 91.97871 4.649098 87.92471 4.093486 4.053993 
6.194412 
1 1 1 -10 -1  23 o 61.50656 3.200766  777.0731       80.72720 919.8617       
132.5687 692.9193       101.7726 65.81717 4.797587 57.19595 4.238251 8.621223 
6.401533 
1 1 1 -10 -1  24 o 97.99905 2.985480  2040.155       122.4719 2006.197       
179.3621 2069.818       167.6349 97.19002 4.395720 98.80808 4.041040 -1.618065 
5.970959 
1 1 1 -10 -1  25 f 153.9586 4.086432  5101.224       264.0117 5141.030       
368.6820 5059.328       378.2393 154.6399 5.678733 153.2774 5.877729 1.362457 
8.172865 
1 1 1 -10 -1  26 o 35.38983 5.188812  273.7583       76.03242 389.2956       
116.2495 187.3868       100.5114 42.20921 6.560017 28.57045 8.041224 13.63876 
10.37762 
1 1 1 -10 -1  27 o 58.04726 3.642319  727.7534       88.51956 756.8083       
131.0426 703.3687       120.0496 59.06278 5.284692 57.03175 5.013780 2.031033 
7.284638 
1 1 1 -10 -1  28 o 96.01402 3.175659  1965.897       126.3519 2158.510       
198.4137 1834.505       163.8762 99.75920 4.737396 92.26883 4.230405 7.490372 
6.351318 
1 1 1 -10 -1  29 o 20.33139 5.756463  59.62346       74.53619 93.74297       
113.4459 33.70779       98.87095 22.22505 8.570826 18.43773 7.686898 3.787313 
11.51293 
1 1 1 -10 -1  30 o 19.49992 5.764086  37.22037       80.95425 -11.88449      
116.2074 83.52071       112.8401 17.58381 7.813678 21.41603 8.476153 -3.832214 
11.52817 
1 1 1 -10 -1  31 o 43.52077 5.221996  460.3013       90.85841 335.5978       
126.6556 592.5139       130.4131 36.26456 8.464802 50.77697 6.117524 -14.51241 
10.44399 
1 1 1 -10 -1  32 o 29.15311 6.585546  235.8810       92.66251 192.7763       
134.5592 274.7589       127.7917 26.65439 9.504058 31.65183 9.118693 -4.997444 
13.17109 
1 1 1 -10 -1  33 o 19.82107 6.060740  61.71546       91.82363 89.82838       
139.1101 40.00893       122.2365 21.02340 8.956791 18.61875 8.167383 2.404652 
12.12148 
1 1 1 -10 0   1  o 104.2061 2.735187  2291.645       116.9218 2231.744       
185.0699 2331.435       150.8367 103.0583 4.277341 105.3539 3.410181 -2.295616 
5.470373 
1 1 1 -10 0   2  o 119.0514 2.187807  2929.526       94.80872 3071.686       
191.4775 2883.353       109.1246 120.9193 3.771752 117.1834 2.218082 3.735878 
4.375614 
1 1 1 -10 0   3  f 311.8319 2.628611  20407.11       330.4673 20501.52       
550.9926 20354.07       412.9940 312.3618 4.201544 311.3020 3.159969 1.059753 
5.257221 
1 1 1 -10 0   4  o 186.7441 2.939809  7502.275       212.3043 6869.600       
375.2241 7800.192       257.4828 180.7778 4.943866 192.7105 3.182467 -11.93272 
5.879618 
1 1 1 -10 0   5  o 375.6617 3.930667  29694.16       619.2954 29227.39       
892.1500 30128.24       860.3475 372.7938 5.700202 378.5297 5.413710 -5.735870 
7.861333 
1 1 1 -10 0   6  f 118.0151 1.818465  2923.998       89.85152 2935.136       
132.1787 2914.430       122.5099 118.2223 2.663074 117.8079 2.476954 0.4144363 
3.636930 
1 1 1 -10 0   7  o 353.3735 4.167496  26301.80       617.4161 25442.22       
887.5064 27107.96       859.4842 347.7477 6.078947 358.9995 5.702498 -11.25180 
8.334991 
1 1 1 -10 0   8  o 121.0790 1.933740  3061.666       94.29079 3139.326       
158.3915 3019.038       117.3498 122.2537 3.085965 119.9043 2.331142 2.349426 
3.867480 
1 1 1 -10 0   9  o 107.2726 2.065213  2434.728       86.53391 2368.394       
152.6766 2466.122       105.0335 106.1765 3.425036 108.3687 2.308580 -2.192139 
4.130425 
1 1 1 -10 0   10 o 162.3424 6.209319  5548.396       423.2090 5548.396       
423.2090 0.000000       0.000000 162.3424 6.209319 ?        ?        ? ? 
1 1 1 -10 0   11 o 164.5727 3.348157  5717.561       205.7042 5649.421       
393.6523 5743.157       241.2650 163.8239 5.723433 165.3215 3.476051 -1.497574 
6.696314 
1 1 1 -10 0   12 f 218.3091 3.086494  10105.02       259.1130 9817.300       
469.9728 10230.67       310.5816 215.9753 5.183103 220.6429 3.352795 -4.667587 
6.172988 
1 1 1 -10 0   13 o 234.3190 3.069648  11186.63       243.7478 12173.15       
549.4385 10944.90       271.9763 240.4037 5.443761 228.2344 2.838383 12.16931 
6.139296 
1 1 1 -10 0   14 o 58.87135 2.389298  722.4921       57.12760 752.7583       
94.39884 705.0022       71.75985 59.82500 3.758417 57.91771 2.951150 1.907295 
4.778596 
1 1 1 -10 0   15 o 23.99702 4.508081  122.8129       45.47675 144.7669       
72.43063 108.5263       58.42928 25.68626 6.661643 22.30778 6.075665 3.378481 
9.016163 
1 1 1 -10 0   16 o 112.1819 2.324667  2602.939       101.8591 2768.386       
183.6420 2529.421       122.4156 114.6711 3.814513 109.6926 2.658155 4.978416 
4.649333 
1 1 1 -10 0   17 o 71.79863 2.219939  1050.314       65.22016 1236.891       
107.7821 942.5309       81.92039 76.65799 3.348961 66.93926 2.914957 9.718727 
4.439878 
1 1 1 -10 0   18 o 140.5283 2.744119  4163.208       127.9415 4160.908       
290.4375 4163.761       142.5141 140.3296 4.929744 140.7270 2.412133 
-0.3973999     5.488238 
1 1 1 -10 0   19 o 164.2450 4.429626  5693.014       305.4485 0.000000       
0.000000 5693.014       305.4485 ?        ?        164.2450 4.429626 ? ? 
1 1 1 -10 0   20 o 100.6008 2.755951  2120.715       115.4563 2228.193       
176.5578 2040.417       152.6078 102.7935 4.091123 98.40804 3.693748 4.385422 
5.511902 
1 1 1 -10 0   21 o 132.1284 3.503880  3701.285       193.8459 3475.483       
278.3146 3914.029       270.1468 128.1612 5.172502 136.0956 4.727993 -7.934387 
7.007760 
1 1 1 -10 0   22 o 60.25636 3.298377  770.3006       82.89072 750.0803       
123.6390 786.8090       111.7160 59.50585 4.948996 61.00686 4.361720 -1.501003 
6.596754 
1 1 1 -10 0   23 o 112.5701 2.968447  2713.131       138.5570 2294.137       
199.9725 3100.023       192.1593 104.0260 4.578780 121.1143 3.779086 -17.08839 
5.936894 
1 1 1 -10 0   24 o 32.69815 5.409783  238.2680       77.41352 340.8287       
109.6349 136.2878       109.3242 39.80334 6.560705 25.59295 8.603498 14.21039 
10.81957 
1 1 1 -10 0   25 o 92.69976 3.115087  1798.671       118.9514 1979.645       
190.8666 1683.743       152.1024 96.35788 4.718063 89.04164 4.068778 7.316238 
6.230175 
1 1 1 -10 0   26 o 72.20821 3.069300  1111.056       92.96803 1159.183       
134.8876 1067.506       128.3121 73.68999 4.359980 70.72641 4.321225 2.963585 
6.138600 
1 1 1 -10 0   27 o 51.43774 3.747083  573.8056       80.78141 541.2446       
114.9532 605.5734       113.5442 49.93832 5.482874 52.93715 5.108876 -2.998837 
7.494165 
1 1 1 -10 0   28 o 51.75004 3.959520  565.7994       84.28673 698.7563       
137.0115 484.8458       106.9104 56.39194 5.787101 47.10814 5.405614 9.283798 
7.919041 
1 1 1 -10 0   29 o 36.93701 5.521400  325.2560       83.07459 369.0106       
118.9112 283.5390       116.1094 39.62314 7.422596 34.25088 8.176094 5.372265 
11.04280 
1 1 1 -10 0   30 o 32.59425 5.809078  261.0776       80.10670 313.9038       
116.2253 213.2735       110.5627 35.88955 7.925621 29.29894 8.495062 6.590609 
11.61816 
1 1 1 -10 0   31 f 24.69653 6.289637  144.7000       83.17281 162.3133       
124.2741 130.4096       111.9389 25.69252 9.136364 23.70054 8.646675 1.991976 
12.57927 
1 1 1 -10 0   32 o 47.10497 5.087691  544.6572       96.29378 479.7678       
142.8870 598.6483       130.3366 43.47283 8.130156 50.73710 6.118740 -7.264267 
10.17538 
1 1 1 -10 0   33 o 43.68052 5.593236  528.3748       95.27962 330.0269       
143.1785 686.0234       127.6466 33.33548 9.667789 54.02555 5.627700 -20.69007 
11.18647 
1 1 1 -10 1   1  o 251.6142 3.660253  13337.22       353.4893 13378.60       
422.0826 13240.05       646.8773 252.3439 3.984058 250.8845 6.141424 1.459351 
7.320506 
1 1 1 -10 1   2  o 242.7768 3.238197  12605.26       315.3782 11614.03       
519.3355 13184.38       396.9550 235.0375 5.262982 250.5161 3.774216 -15.47861 
6.476395 
1 1 1 -10 1   3  o 194.1771 3.100099  8031.008       246.5540 7390.237       
385.4294 8474.816       320.7682 187.5066 4.896091 200.8476 3.804045 -13.34103 
6.200198 
1 1 1 -10 1   4  o 404.6923 3.406237  34604.27       550.7267 33833.09       
930.2894 35020.36       683.3332 401.1199 5.524144 408.2648 3.986683 -7.144897 
6.812475 
1 1 1 -10 1   5  o 149.7657 1.932767  4721.845       117.9651 4662.504       
190.7823 4758.575       150.0974 148.9942 3.049929 150.5372 2.374927 -1.542969 
3.865533 
1 1 1 -10 1   6  o 170.5674 1.856334  6106.724       132.8475 5805.766       
185.8296 6421.305       189.9888 166.2703 2.662081 174.8644 2.587901 -8.594147 
3.712668 
1 1 1 -10 1   7  o 255.4086 4.656113  13699.92       383.5136 13777.09       
904.9396 13683.02       423.4184 255.6298 8.431973 255.1873 3.952135 0.4425049 
9.312225 
1 1 1 -10 1   8  o 224.5346 2.687964  10234.83       181.1953 11112.12       
476.4515 10086.49       195.9159 229.8985 4.936324 219.1708 2.129159 10.72771 
5.375929 
1 1 1 -10 1   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 1   10 f 115.5818 2.990037  2751.321       140.5667 3031.651       
234.0269 2593.107       175.8145 120.0786 4.642172 111.0850 3.769819 8.993675 
5.980075 
1 1 1 -10 1   11 o 74.11644 2.095490  1156.566       64.17823 1139.100       
99.63432 1168.953       83.90305 73.63210 3.223019 74.60078 2.678893 
-0.9686813     4.190981 
1 1 1 -10 1   12 o 103.8264 1.976086  2263.455       85.91264 2047.322       
119.7349 2492.809       123.3430 98.71761 2.888999 108.9352 2.696915 -10.21762 
3.952172 
1 1 1 -10 1   13 o 180.6499 2.893395  6776.537       202.6001 7088.814       
369.0365 6641.813       242.3956 183.5284 4.789465 177.7713 3.247762 5.757141 
5.786790 
1 1 1 -10 1   14 o 217.0323 2.503595  9861.116       210.7936 10017.58       
380.6969 9791.936       253.1408 218.1995 4.155723 215.8650 2.793192 2.334488 
5.007191 
1 1 1 -10 1   15 o 96.30824 2.132560  1955.228       82.89458 1930.456       
137.2471 1969.453       104.0084 95.80688 3.412147 96.80959 2.559004 -1.002701 
4.265120 
1 1 1 -10 1   16 o 140.7052 2.172665  4121.418       116.6667 4264.766       
217.8048 4063.740       138.1585 142.3509 3.644419 139.0596 2.366452 3.291290 
4.345329 
1 1 1 -10 1   17 o 215.5787 2.700703  9846.598       212.4806 9671.884       
420.3940 9906.544       246.2497 214.1040 4.676844 217.0534 2.702279 -2.949463 
5.401405 
1 1 1 -10 1   18 o 119.5216 2.274732  2963.932       106.0347 3122.941       
191.2791 2893.392       127.4017 121.7446 3.742304 117.2986 2.587043 4.445984 
4.549465 
1 1 1 -10 1   19 o 59.55833 2.487298  720.5080       60.55398 863.9252       
100.5455 638.8828       75.85328 64.02991 3.740251 55.08674 3.279807 8.943172 
4.974597 
1 1 1 -10 1   20 o 201.8362 3.827226  8628.139       319.7509 8565.556       
494.3707 8673.148       419.2502 201.0710 5.856313 202.6015 4.928919 -1.530472 
7.654453 
1 1 1 -10 1   21 o 105.0582 4.080714  2328.091       179.9886 2328.091       
179.9886 0.000000       0.000000 105.0582 4.080714 ?        ?        ? ? 
1 1 1 -10 1   22 o 135.1382 3.236986  3889.631       178.2242 3742.626       
286.2550 3982.688       227.7523 132.9116 5.129930 137.3648 3.949193 -4.453278 
6.473971 
1 1 1 -10 1   23 o 115.2674 3.448827  2816.612       164.9022 2833.281       
253.8401 2804.441       216.9051 115.4694 5.236176 115.0654 4.489999 0.4040756 
6.897654 
1 1 1 -10 1   24 o 61.87353 3.422876  809.3131       88.50410 861.9500       
133.0864 767.5779       118.5060 63.64344 4.980822 60.10362 4.696355 3.539822 
6.845753 
1 1 1 -10 1   25 o 72.05185 3.313589  1094.271       99.00804 1177.640       
154.6408 1036.358       128.8881 74.29081 4.958040 69.81289 4.397424 4.477921 
6.627179 
1 1 1 -10 1   26 o 46.08416 4.305447  461.9171       82.40528 383.7139       
115.8492 542.0098       117.2406 42.00171 6.569726 50.16661 5.566526 -8.164894 
8.610894 
1 1 1 -10 1   27 f 30.10197 5.468974  214.5494       73.95098 113.0886       
108.9808 301.1377       100.6770 23.73939 8.544310 36.46457 6.828871 -12.72518 
10.93795 
1 1 1 -10 1   28 o 121.9744 3.489033  3208.833       176.3036 3313.669       
274.1136 3134.866       230.2463 123.3805 5.291820 120.5682 4.548633 2.812294 
6.978067 
1 1 1 -10 1   29 o 30.11016 6.174604  220.9052       82.27832 211.0861       
125.9555 228.2139       108.6675 29.45967 9.193938 30.76065 8.244661 -1.300976 
12.34921 
1 1 1 -10 1   30 o 30.70691 6.028089  232.7087       79.89725 240.2365       
122.4038 227.1203       105.4629 30.96982 8.925103 30.44401 8.105180 0.5258102 
12.05618 
1 1 1 -10 1   31 o 95.57652 3.486557  2030.038       138.9145 1973.495       
207.1358 2076.257       187.2721 94.02863 5.247061 97.12443 4.592675 -3.095802 
6.973114 
1 1 1 -10 1   32 o 43.01040 5.363655  453.4051       94.69205 431.0918       
134.6382 475.2452       133.2029 41.41299 8.030388 44.60781 7.112526 -3.194824 
10.72731 
1 1 1 -10 1   33 o 52.07299 4.553968  651.8418       98.93427 573.2034       
138.9479 732.7062       140.9009 48.47678 6.827147 55.66919 6.028647 -7.192410 
9.107937 
1 1 1 -10 1   34 f 48.83739 4.871948  601.0483       99.65633 621.3629       
146.7654 583.6689       135.7491 49.37004 7.080781 48.30474 6.693731 1.065296 
9.743896 
1 1 1 -10 2   1  o 200.9782 3.536869  8573.899       283.3916 8220.979       
478.3441 8764.762       351.7716 197.7150 5.762646 204.2415 4.102400 -6.526474 
7.073738 
1 1 1 -10 2   2  o 170.8731 3.009606  5981.465       182.8309 6425.772       
384.4497 5851.612       207.8379 174.8266 5.237850 166.9196 2.965777 7.907059 
6.019211 
1 1 1 -10 2   3  f 370.1553 5.335671  28981.84       695.6024 28617.41       
1451.621 29090.47       792.5186 368.3153 9.387600 371.9953 5.074498 -3.679993 
10.67134 
1 1 1 -10 2   4  o 83.00455 2.170311  1499.362       72.18025 1246.230       
115.2279 1662.836       92.59915 77.02254 3.563371 88.98655 2.478584 -11.96401 
4.340621 
1 1 1 -10 2   5  o 115.7527 2.594803  2878.598       111.2612 2678.522       
212.2180 2954.438       130.6576 112.8940 4.477468 118.6114 2.623793 -5.717377 
5.189606 
1 1 1 -10 2   6  f 141.5214 2.764426  4221.269       150.1472 4175.635       
274.5838 4240.734       179.3333 140.9477 4.640213 142.0951 3.006097 -1.147369 
5.528852 
1 1 1 -10 2   7  o 152.5678 2.085521  4705.956       100.0748 5168.661       
249.1570 4616.951       109.2768 156.8457 3.783743 148.2900 1.755243 8.555710 
4.171041 
1 1 1 -10 2   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 2   9  o 437.5718 8.016166  39705.30       829.3102 41584.82       
2837.730 39529.79       867.1675 441.5343 15.30832 433.6092 4.763494 7.925110 
16.03233 
1 1 1 -10 2   10 o 162.5848 2.759148  5592.730       183.4425 5385.004       
291.9976 5728.169       235.7796 160.0517 4.345504 165.1180 3.401204 -5.066376 
5.518296 
1 1 1 -10 2   11 f 118.4290 1.885275  2953.011       91.00162 2916.259       
147.1299 2975.782       115.8112 117.8222 2.974371 119.0359 2.317361 -1.213745 
3.770550 
1 1 1 -10 2   12 o 184.2205 2.388742  7041.834       166.9849 7341.857       
315.3465 6924.927       196.8483 186.8710 4.019455 181.5700 2.582311 5.300995 
4.777483 
1 1 1 -10 2   13 o 281.1516 3.285203  16531.55       352.8131 16878.28       
655.4590 16390.11       418.6336 283.0761 5.515227 279.2270 3.571065 3.849121 
6.570405 
1 1 1 -10 2   14 o 200.6083 2.763158  8543.980       207.1210 8290.997       
393.9559 8640.619       243.4881 198.4426 4.728613 202.7739 2.860136 -4.331345 
5.526315 
1 1 1 -10 2   15 o 154.3437 2.224842  4978.784       134.5511 5091.197       
238.9505 4926.592       162.8172 155.5690 3.658525 153.1183 2.532760 2.450714 
4.449683 
1 1 1 -10 2   16 o 127.2260 2.136246  3421.034       112.8716 3276.948       
170.7103 3532.950       150.4513 124.8157 3.257705 129.6363 2.764335 -4.820602 
4.272492 
1 1 1 -10 2   17 o 53.62595 2.610789  620.7625       56.94573 533.2559       
88.59127 682.3763       74.33771 50.30016 4.195103 56.95174 3.109018 -6.651581 
5.221579 
1 1 1 -10 2   18 o 115.0307 2.184514  2794.959       102.8959 2736.874       
163.9220 2832.727       132.1812 114.0079 3.424708 116.0535 2.712892 -2.045670 
4.369028 
1 1 1 -10 2   19 o 323.5744 5.319924  22139.55       669.3829 22805.10       
1205.783 21843.07       804.7845 326.1431 8.806066 321.0057 5.971563 5.137421 
10.63985 
1 1 1 -10 2   20 o 69.75116 2.388116  1015.704       68.28230 1064.065       
110.2187 985.5827       86.98560 71.06607 3.694147 68.43626 3.027486 2.629814 
4.776233 
1 1 1 -10 2   21 f 53.40057 3.600369  590.2842       79.10664 665.6472       
127.8583 543.5433       100.6929 56.07684 5.430834 50.72431 4.728284 5.352531 
7.200738 
1 1 1 -10 2   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 2   23 o 69.58021 3.141901  1030.743       91.00431 972.8171       
135.5508 1078.278       122.7921 67.74630 4.765818 71.41412 4.095505 -3.667816 
6.283803 
1 1 1 -10 2   24 o 103.6241 3.155095  2248.436       135.4012 2109.386       
175.3990 2453.505       213.0055 99.77610 4.187181 107.4721 4.720806 -7.695976 
6.310189 
1 1 1 -10 2   25 o 74.90588 3.037305  1186.147       95.26189 1078.593       
130.0563 1310.644       139.9258 71.24893 4.347845 78.56284 4.242303 -7.313904 
6.074610 
1 1 1 -10 2   26 o 80.82013 3.255632  1396.026       109.9873 1375.298       
162.5982 1413.511       149.3376 80.19910 4.829113 81.44116 4.367635 -1.242065 
6.511264 
1 1 1 -10 2   27 o 90.39796 3.161523  1749.933       119.1696 1750.947       
179.2098 1749.130       159.5593 90.31638 4.726245 90.47955 4.200420 
-0.1631699     6.323047 
1 1 1 -10 2   28 o 142.1375 4.013437  4412.186       238.7189 4428.934       
352.1321 4397.944       324.7296 142.1635 5.899816 142.1115 5.442692 
0.5207825E-01  8.026875 
1 1 1 -10 2   29 o 25.62230 6.145933  148.4493       78.41348 165.7698       
118.7118 135.0429       104.4407 26.70840 8.965281 24.53619 8.409144 2.172211 
12.29187 
1 1 1 -10 2   30 o 48.20741 4.483374  523.5037       90.60099 564.5934       
130.6781 485.4706       125.7238 50.09253 6.213710 46.32228 6.464702 3.770256 
8.966747 
1 1 1 -10 2   31 o 18.11431 5.683320  -7.806839      86.71546 -47.16586      
135.1630 19.72598       113.0475 17.71896 8.089769 18.50965 7.984742 
-0.7906857     11.36664 
1 1 1 -10 2   32 o 26.29718 6.606636  176.4242       91.67636 171.3925       
135.1897 180.7081       124.7398 26.06801 9.503126 26.52635 9.180476 
-0.4583378     13.21327 
1 1 1 -10 2   33 o 26.08772 6.093843  136.4321       91.95241 342.8875       
140.7601 -17.25760      121.4475 35.03654 9.380173 17.13888 7.781522 17.89766 
12.18769 
1 1 1 -10 2   34 o 68.48281 4.085789  1112.354       116.7851 1288.554       
173.1547 965.3173       158.1778 73.67480 5.598044 63.29082 5.952863 10.38399 
8.171577 
1 1 1 -10 3   1  o 208.3654 2.663328  9113.464       221.0279 9145.203       
378.3153 9097.015       272.3430 208.6145 4.319471 208.1164 3.116958 0.4980469 
5.326656 
1 1 1 -10 3   2  o 343.6142 5.613227  24961.16       659.3805 24721.75       
1435.033 25025.23       742.3918 342.2102 9.988265 345.0183 5.125216 -2.808105 
11.22645 
1 1 1 -10 3   3  o 354.0102 7.359172  26141.77       873.9151 27020.92       
1970.643 25926.54       975.0354 357.0213 13.14725 350.9991 6.616609 6.022217 
14.71834 
1 1 1 -10 3   4  o 239.8076 6.235876  12201.04       411.5123 12026.59       
1170.309 12225.65       439.5840 238.4166 11.69190 241.1987 4.340982 -2.782120 
12.47175 
1 1 1 -10 3   5  o 469.0911 9.199264  46474.86       1371.150 46925.28       
3293.889 46380.46       1508.017 468.9440 16.73050 469.2382 7.654802 
-0.2942200     18.39853 
1 1 1 -10 3   6  o 330.0570 6.147726  22617.53       543.0162 23438.68       
1614.826 22512.84       576.5936 332.8044 11.55733 327.3096 4.195967 5.494812 
12.29545 
1 1 1 -10 3   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 3   8  o 138.8123 3.276095  4045.823       138.4557 4057.484       
350.9706 4043.674       150.6758 138.8633 6.020109 138.7612 2.586404 0.1020660 
6.552190 
1 1 1 -10 3   9  o 127.4963 2.116170  3354.552       103.2796 3559.687       
192.9769 3272.210       122.2634 130.1642 3.531300 124.8284 2.332942 5.335861 
4.232340 
1 1 1 -10 3   10 o 345.6866 3.974573  24958.88       508.4605 25542.33       
995.0836 24752.72       591.5104 348.2055 6.806831 343.1678 4.105603 5.037720 
7.949147 
1 1 1 -10 3   11 o 259.3585 3.574086  13992.23       340.7138 14481.28       
675.7256 13825.51       394.5384 262.2291 6.137769 256.4880 3.663898 5.741119 
7.148171 
1 1 1 -10 3   12 o 168.5152 2.596348  5937.548       164.9854 6040.294       
312.9510 5897.999       194.1586 169.4715 4.398460 167.5588 2.760009 1.912750 
5.192697 
1 1 1 -10 3   13 o 172.8260 2.355637  6276.480       166.7230 6283.943       
267.0750 6271.715       213.4135 172.8864 3.679539 172.7655 2.942292 0.1208649 
4.711273 
1 1 1 -10 3   14 o 66.57047 2.390623  954.9582       65.01055 803.5791       
99.12447 1069.220       86.11887 61.81131 3.819741 71.32961 2.875740 -9.518303 
4.781245 
1 1 1 -10 3   15 o 69.68967 2.218017  1016.918       63.42950 1040.605       
101.5592 1001.769       81.21790 70.34132 3.438982 69.03801 2.802106 1.303307 
4.436034 
1 1 1 -10 3   16 o 139.5076 1.992909  4097.421       110.2634 4074.139       
189.9331 4109.256       135.4198 139.1735 3.250614 139.8418 2.306569 
-0.6683350     3.985819 
1 1 1 -10 3   17 o 144.7365 2.577823  4276.288       135.7628 4681.902       
277.0013 4148.049       155.7526 149.0125 4.427720 140.4604 2.641207 8.552063 
5.155645 
1 1 1 -10 3   18 o 199.6573 3.647329  8380.741       290.8867 8573.184       
496.8819 8280.397       358.7972 201.1848 5.882734 198.1298 4.313406 3.054977 
7.294658 
1 1 1 -10 3   19 o 40.04182 3.396774  329.6466       56.29088 416.3141       
87.76845 269.0860       73.36774 44.39812 4.708634 35.68552 4.897046 8.712597 
6.793548 
1 1 1 -10 3   20 o 134.0288 2.612206  3760.411       138.8357 3858.741       
241.0129 3711.576       169.8476 135.2531 4.244377 132.8045 3.046266 2.448669 
5.224411 
1 1 1 -10 3   21 o 53.65890 2.906748  602.3691       63.81231 628.8328       
103.4769 586.1289       81.06107 54.57595 4.516098 52.74184 3.660818 1.834106 
5.813495 
1 1 1 -10 3   22 o 146.5291 3.448860  4360.344       172.7842 4860.962       
386.5479 4235.344       193.1548 151.2591 6.086995 141.7991 3.244538 9.459915 
6.897720 
1 1 1 -10 3   23 o 37.37049 6.702703  307.3518       101.3484 0.000000       
0.000000 307.3518       101.3484 ?        ?        37.37049 6.702703 ? ? 
1 1 1 -10 3   24 o 36.40556 5.302705  298.2468       78.14561 271.1971       
114.9847 321.4641       106.5283 34.70545 8.042332 38.10568 6.913438 -3.400234 
10.60541 
1 1 1 -10 3   25 o 131.8904 3.415343  3697.038       188.8152 3575.911       
258.3888 3835.830       276.5896 129.6087 4.748546 134.1720 4.910151 -4.563339 
6.830686 
1 1 1 -10 3   26 o 114.3524 3.430051  2796.534       164.0542 2770.048       
242.0431 2819.042       223.1251 113.7584 5.067927 114.9463 4.623538 -1.187935 
6.860101 
1 1 1 -10 3   27 o 54.59043 3.737646  642.2168       85.56531 601.4215       
119.6210 684.9599       122.4436 52.78518 5.397797 56.39568 5.171438 -3.610497 
7.475291 
1 1 1 -10 3   28 o 40.21991 5.008938  367.1040       81.96128 346.2933       
121.6924 384.3816       110.8819 38.65033 7.772764 41.78950 6.319966 -3.139175 
10.01788 
1 1 1 -10 3   29 o 49.79388 4.331055  549.8995       90.44772 542.4946       
130.2993 556.7857       125.6521 49.40149 6.282362 50.18628 5.963562 
-0.7847824     8.662109 
1 1 1 -10 3   30 o 71.44556 3.327314  1115.617       99.41208 998.5046       
139.6977 1235.770       141.4995 67.50861 4.928913 75.38249 4.471007 -7.873878 
6.654629 
1 1 1 -10 3   31 o 19.87630 5.938475  34.69112       87.21426 -16.18465      
126.1951 81.20920       120.6696 18.10835 8.091469 21.64425 8.694256 -3.535898 
11.87695 
1 1 1 -10 3   32 o 62.68967 4.162654  887.9866       108.8929 1033.078       
162.7691 770.4393       146.5070 67.39167 5.752901 57.98768 6.017881 9.403988 
8.325308 
1 1 1 -10 3   33 o 39.86108 5.613513  406.9204       93.09210 218.3949       
127.1302 624.8767       136.6936 28.22279 9.277719 51.49938 6.322188 -23.27659 
11.22703 
1 1 1 -10 3   34 o 58.90637 4.274681  835.3682       105.7142 838.2085       
150.1294 832.5747       148.8833 58.98422 6.062490 58.82852 6.028083 0.1557007 
8.549361 
1 1 1 -10 4   1  o 102.3100 3.646208  2246.254       136.6866 2106.819       
265.6780 2296.447       159.4012 100.0665 6.323944 104.5535 3.631399 -4.487022 
7.292416 
1 1 1 -10 4   2  f 201.8604 5.678943  8477.425       439.1762 8850.135       
816.0101 8325.444       521.0811 204.7954 9.490660 198.9253 6.239306 5.870102 
11.35789 
1 1 1 -10 4   3  o 147.3942 3.346003  4569.835       197.0367 4555.361       
334.4905 4577.527       243.8315 147.1857 5.413017 147.6028 3.934742 
-0.4171600     6.692006 
1 1 1 -10 4   4  o 213.0107 4.422973  9405.005       228.1756 9721.907       
759.5838 9373.572       239.2242 214.7530 8.424760 211.2683 2.697067 3.484650 
8.845945 
1 1 1 -10 4   5  o 138.7318 4.338967  4044.784       252.7209 0.000000       
0.000000 4044.784       252.7209 ?        ?        138.7318 4.338967 ? ? 
1 1 1 -10 4   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 4   7  o 336.2823 3.909788  23967.20       411.3607 23512.39       
1002.448 24059.29       451.0904 334.1286 7.146104 338.4360 3.174739 -4.307465 
7.819577 
1 1 1 -10 4   8  o 405.1149 7.186792  34746.88       1091.120 34567.26       
2077.017 34815.34       1282.315 403.7543 12.25304 406.4755 7.514177 -2.721191 
14.37358 
1 1 1 -10 4   9  f 291.6433 4.138410  17990.28       422.0396 17733.29       
889.4453 18064.95       479.4506 290.0919 7.303057 293.1948 3.895011 -3.102844 
8.276820 
1 1 1 -10 4   10 o 147.9892 2.125567  4640.430       128.6260 4418.095       
204.1208 4786.861       165.6535 145.0108 3.352802 150.9676 2.613592 -5.956802 
4.251134 
1 1 1 -10 4   11 o 190.7958 2.527062  7586.301       184.0003 7803.407       
343.0653 7498.627       218.0097 192.6523 4.241539 188.9393 2.748366 3.713089 
5.054124 
1 1 1 -10 4   12 f 101.2740 2.030296  2161.570       83.12988 2129.351       
137.0192 2180.337       104.5752 100.6635 3.242130 101.8845 2.444791 -1.221008 
4.060592 
1 1 1 -10 4   13 o 235.2469 3.492400  11581.50       331.8092 11897.57       
553.8775 11404.58       414.3991 237.6490 5.551352 232.8448 4.239096 4.804169 
6.984801 
1 1 1 -10 4   14 o 127.6812 2.237283  3402.012       113.0487 3500.761       
197.2240 3353.691       137.9626 129.0231 3.640938 126.3392 2.601022 2.683861 
4.474566 
1 1 1 -10 4   15 o 159.8838 2.230163  5414.238       140.6131 5258.263       
243.4685 5492.303       172.2437 158.0982 3.668064 161.6694 2.537679 -3.571213 
4.460326 
1 1 1 -10 4   16 o 51.09909 2.668021  549.0484       56.03783 552.3995       
88.92707 546.8413       72.17004 51.21426 4.135844 50.98392 3.371668 0.2303429 
5.336042 
1 1 1 -10 4   17 o 193.8867 3.275107  7964.751       242.7184 7844.379       
446.2184 8015.332       289.2533 192.6446 5.517109 195.1289 3.530838 -2.484222 
6.550215 
1 1 1 -10 4   18 o 66.28901 2.382846  925.5958       64.94414 922.9679       
102.7433 927.3444       83.81123 66.19070 3.697238 66.38732 3.007033 
-0.1966248     4.765692 
1 1 1 -10 4   19 o 195.1342 3.623463  7880.858       269.8814 8460.395       
507.6914 7652.584       318.6303 199.7517 6.053833 190.5166 3.983597 9.235123 
7.246926 
1 1 1 -10 4   20 o 73.70688 2.394199  1162.341       71.71635 1065.271       
114.3148 1225.342       92.09391 71.09670 3.829782 76.31705 2.874289 -5.220345 
4.788399 
1 1 1 -10 4   21 o 56.73388 2.720139  684.4056       63.59070 645.0917       
98.34633 712.6520       83.36161 55.29663 4.236240 58.17113 3.413341 -2.874508 
5.440278 
1 1 1 -10 4   22 o 83.33853 2.368712  1470.793       80.94601 1426.767       
128.1102 1500.050       104.4339 82.26122 3.709453 84.41584 2.946718 -2.154625 
4.737424 
1 1 1 -10 4   23 o 170.9647 3.206169  6137.075       218.0974 6342.863       
376.4877 6033.136       267.5655 172.8861 5.186947 169.0433 3.770102 3.842758 
6.412339 
1 1 1 -10 4   24 o 65.26706 3.368372  902.0445       92.01573 934.7967       
136.4801 874.7499       124.5909 66.32848 4.901063 64.20565 4.622045 2.122826 
6.736744 
1 1 1 -10 4   25 o 86.25538 4.385706  1580.144       158.8198 1580.144       
158.8198 0.000000       0.000000 86.25538 4.385706 ?        ?        ? ? 
1 1 1 -10 4   26 f 48.06274 4.089847  499.5172       82.07272 460.4697       
119.1173 534.8076       113.2421 46.19071 6.142447 49.93478 5.401644 -3.744072 
8.179694 
1 1 1 -10 4   27 o 28.23709 6.264126  180.6102       82.51408 183.3987       
112.9138 177.4145       120.8779 28.37237 8.674983 28.10180 9.038903 0.2705650 
12.52825 
1 1 1 -10 4   28 o 21.63065 5.561904  61.15272       76.73971 -67.57331      
113.0984 170.9810       104.4674 16.02836 7.352079 27.23294 8.347816 -11.20458 
11.12381 
1 1 1 -10 4   29 f 50.87816 4.132480  571.5989       88.02132 532.8489       
125.7996 608.7656       123.2029 49.07502 6.105762 52.68130 5.570390 -3.606277 
8.264960 
1 1 1 -10 4   30 o 46.17525 4.985201  496.0692       92.90246 420.3656       
134.0054 566.1256       128.9105 42.02912 7.885250 50.32140 6.101781 -8.292278 
9.970402 
1 1 1 -10 4   31 o 63.93966 4.012493  919.8803       106.6112 879.3408       
160.1490 952.1432       142.8684 62.34222 6.118755 65.53710 5.192421 -3.194881 
8.024986 
1 1 1 -10 4   32 o 67.55998 3.742105  1022.457       106.0595 1065.431       
153.6696 983.3660       146.5642 68.89672 5.312640 66.22324 5.271554 2.673485 
7.484211 
1 1 1 -10 4   33 o 28.39180 6.614559  216.9184       91.48959 254.9455       
135.5863 185.1305       123.9650 30.34461 9.552742 26.43899 9.151757 3.905621 
13.22912 
1 1 1 -10 4   34 o 35.74066 6.367826  360.1333       96.75444 449.2258       
142.4845 283.8993       131.8019 40.40220 8.650784 31.07911 9.346698 9.323092 
12.73565 
1 1 1 -10 5   1  o 62.90926 3.452541  742.8741       82.79777 1053.586       
163.9675 636.5293       95.92622 70.78075 5.517771 55.03777 4.151429 15.74298 
6.905082 
1 1 1 -10 5   2  o 389.7235 7.996492  32000.94       1173.372 32416.43       
2226.731 31841.22       1380.604 390.8145 13.57120 388.6325 8.461570 2.181946 
15.99298 
1 1 1 -10 5   3  o 207.4162 5.458992  9047.240       475.3724 0.000000       
0.000000 9047.240       475.3724 ?        ?        207.4162 5.458992 ? ? 
1 1 1 -10 5   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 5   5  o 580.5214 18.86209  73467.24       4351.089 75192.04       
7487.053 72587.66       5346.648 581.6749 30.65855 579.3679 21.98104 2.306946 
37.72417 
1 1 1 -10 5   6  o 131.8835 2.613654  3689.897       134.0384 3559.267       
237.9146 3750.640       162.2364 130.1345 4.354614 133.6325 2.891728 -3.498001 
5.227309 
1 1 1 -10 5   7  o 402.0834 6.416179  33860.97       900.1153 34598.53       
1918.839 33652.88       1019.212 404.2638 11.30563 399.9030 6.070589 4.360718 
12.83236 
1 1 1 -10 5   8  o 168.2906 2.639703  6027.346       172.6779 5746.896       
305.7643 6158.677       209.2387 165.3472 4.404646 171.2341 2.910536 -5.886887 
5.279406 
1 1 1 -10 5   9  o 59.50559 2.747658  770.1185       65.17345 652.7197       
105.9774 841.5226       82.65012 55.71899 4.530342 63.29219 3.110387 -7.573204 
5.495317 
1 1 1 -10 5   10 o 130.8952 1.977536  3578.430       104.4113 3672.345       
174.7820 3526.319       130.1954 132.2116 3.148822 129.5787 2.393222 2.632919 
3.955072 
1 1 1 -10 5   11 o 159.6977 2.206989  5263.545       130.5678 5560.016       
257.1212 5160.531       151.5638 162.6418 3.765535 156.7536 2.303028 5.888245 
4.413977 
1 1 1 -10 5   12 o 316.9196 3.934013  21300.31       470.8441 20808.17       
881.6242 21496.70       556.9194 314.1157 6.685207 319.7235 4.148956 -5.607788 
7.868026 
1 1 1 -10 5   13 o 203.8579 3.226783  8642.179       247.8739 8979.682       
473.0604 8514.445       291.0237 206.4606 5.457585 201.2552 3.444310 5.205368 
6.453565 
1 1 1 -10 5   14 o 231.5495 2.613002  10844.18       196.5784 11967.95       
469.9802 10605.89       216.4190 238.4061 4.695515 224.6929 2.294178 13.71317 
5.226003 
1 1 1 -10 5   15 o 37.93491 3.398268  290.7199       52.78669 401.5001       
84.10440 218.7177       67.80481 43.65794 4.588562 32.21189 5.013782 11.44605 
6.796536 
1 1 1 -10 5   16 o 223.4995 3.778717  10535.76       329.3654 10567.89       
587.0086 10521.00       397.9026 223.5180 6.255371 223.4811 4.240891 
0.3688049E-01  7.557435 
1 1 1 -10 5   17 o 70.03376 2.255195  1031.987       65.80701 1032.132       
99.36031 1031.874       87.83252 70.02807 3.379573 70.03945 2.986989 
-0.1138306E-01 4.510390 
1 1 1 -10 5   18 o 227.9873 3.304554  11025.34       275.6935 10867.12       
543.4915 11080.16       319.9077 226.5597 5.713881 229.4149 3.321423 -2.855194 
6.609107 
1 1 1 -10 5   19 o 118.1114 2.013444  2955.993       98.35736 2802.906       
150.5559 3069.977       129.9126 115.3993 3.107532 120.8235 2.561068 -5.424156 
4.026887 
1 1 1 -10 5   20 o 47.70450 3.036223  491.7803       59.02063 421.7866       
91.28029 542.0661       77.36957 44.68294 4.865824 50.72606 3.632956 -6.043125 
6.072446 
1 1 1 -10 5   21 o 96.84785 2.500912  1967.663       98.57351 2008.774       
161.2653 1943.141       124.5500 97.61198 3.935127 96.08371 3.087558 1.528275 
5.001824 
1 1 1 -10 5   22 o 70.40105 2.432864  1010.840       70.32147 1205.586       
115.0625 894.7314       88.84496 75.62530 3.623995 65.17680 3.246839 10.44849 
4.865727 
1 1 1 -10 5   23 o 36.58596 4.005431  282.7370       60.28853 293.8413       
96.08487 275.5266       77.42638 37.13176 6.163544 36.04016 5.117092 1.091599 
8.010861 
1 1 1 -10 5   24 o 42.28743 3.761861  396.8791       63.45169 317.6624       
100.6679 449.0959       81.73124 38.52763 6.223570 46.04722 4.227715 -7.519585 
7.523723 
1 1 1 -10 5   25 o 28.84613 6.073884  185.3972       78.83611 186.6218       
116.6112 184.3663       106.9911 28.97869 8.807021 28.71358 8.366878 0.2651157 
12.14777 
1 1 1 -10 5   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 5   27 o 67.10100 3.331459  948.0029       92.94935 1088.317       
144.1635 848.1754       121.5988 71.24660 4.819612 62.95539 4.600632 8.291218 
6.662917 
1 1 1 -10 5   28 o 64.35513 3.540360  890.2007       95.36525 949.9340       
141.7810 840.8474       128.8746 66.28505 5.094757 62.42520 4.917322 3.859852 
7.080720 
1 1 1 -10 5   29 o 56.31202 3.935144  696.3702       92.60255 772.9182       
131.2639 620.5276       130.6578 59.52927 5.252134 53.09476 5.861444 6.434505 
7.870289 
1 1 1 -10 5   30 o 93.47832 3.620532  1910.547       141.6881 1992.613       
209.9213 1841.875       192.0267 95.21239 5.251509 91.74424 4.985444 3.468147 
7.241063 
1 1 1 -10 5   31 o 29.35907 5.933637  185.4016       89.04263 376.6228       
134.7708 37.26534       118.6202 39.04290 8.460323 19.67525 8.321965 19.36764 
11.86727 
1 1 1 -10 5   32 o 68.04428 3.912082  1051.794       110.5995 928.2876       
160.6680 1163.027       152.4760 63.80770 5.997598 72.28086 5.024574 -8.473164 
7.824163 
1 1 1 -10 5   33 o 48.47655 4.871260  555.8204       98.22922 591.2125       
150.8989 529.7945       129.4002 49.48348 7.263515 47.46963 6.492922 2.013851 
9.742519 
1 1 1 -10 5   34 o 72.24016 4.658823  1273.741       131.5947 1251.289       
227.7025 1285.000       161.2500 69.80791 7.769341 74.67240 5.143524 -4.864494 
9.317645 
1 1 1 -10 6   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 6   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 6   3  o 262.3280 6.470492  14470.85       710.7587 13857.49       
963.8681 15201.89       1052.268 256.2852 8.958085 268.3708 9.339259 -12.08557 
12.94098 
1 1 1 -10 6   4  f 308.9105 7.943666  19875.58       455.4978 20550.36       
2016.608 19839.31       467.5816 310.5250 15.46842 307.2961 3.624278 3.228973 
15.88733 
1 1 1 -10 6   5  o 254.0509 4.930604  12981.20       309.5251 14363.59       
1024.131 12842.24       324.7104 260.8397 9.351970 247.2621 3.127949 13.57761 
9.861207 
1 1 1 -10 6   6  o 265.9475 4.233043  14736.01       358.0170 15108.91       
864.1246 14658.73       393.3669 267.7513 7.687158 264.1437 3.547143 3.607635 
8.466086 
1 1 1 -10 6   7  o 275.2687 4.879945  16052.32       520.6174 15714.68       
932.9495 16205.00       627.3873 272.9755 8.140584 277.5620 5.383896 -4.586578 
9.759890 
1 1 1 -10 6   8  o 118.4373 2.588363  2871.040       112.7377 3106.402       
225.7988 2792.884       130.1162 121.5596 4.424390 115.3150 2.687614 6.244629 
5.176726 
1 1 1 -10 6   9  o 327.1995 5.741682  22484.39       688.4818 22813.13       
1364.251 22372.06       797.4828 328.3812 9.895483 326.0178 5.826411 2.363434 
11.48336 
1 1 1 -10 6   10 f 213.8149 3.210629  9578.349       273.3820 9726.366       
469.3676 9502.353       336.3177 215.0007 5.199890 212.6292 3.767454 2.371597 
6.421259 
1 1 1 -10 6   11 o 239.5717 2.827223  12208.19       273.5198 11532.28       
446.8866 12613.06       345.8713 234.1531 4.545885 244.9902 3.362691 -10.83704 
5.654446 
1 1 1 -10 6   12 o 206.0436 2.937534  8917.603       245.4419 8971.128       
403.7574 8886.229       309.1138 206.4837 4.657532 205.6036 3.581037 0.8801117 
5.875068 
1 1 1 -10 6   13 o 317.2344 4.841836  21082.79       575.9379 21622.75       
1103.958 20880.88       675.0901 319.5918 8.227695 314.8771 5.106716 4.714752 
9.683672 
1 1 1 -10 6   14 o 203.1460 3.534364  8726.654       290.7191 8571.506       
476.9836 8818.354       366.7037 201.6040 5.635409 204.6880 4.267209 -3.084076 
7.068727 
1 1 1 -10 6   15 o 91.48747 2.226249  1771.920       84.04420 1691.645       
129.9239 1829.680       110.2077 89.67797 3.450836 93.29698 2.813620 -3.619011 
4.452497 
1 1 1 -10 6   16 o 119.0841 2.091179  2960.448       95.21952 3034.518       
176.7803 2930.176       113.0147 120.0832 3.506490 118.0850 2.279613 1.998207 
4.182357 
1 1 1 -10 6   17 o 180.1341 3.271440  6858.025       239.3000 6797.315       
390.7536 6894.458       302.7032 179.3785 5.188643 180.8897 3.985881 -1.511200 
6.542879 
1 1 1 -10 6   18 o 152.8111 2.452591  4883.608       150.6565 5034.038       
254.3793 4802.337       186.9760 154.5437 3.920590 151.0785 2.947843 3.465271 
4.905181 
1 1 1 -10 6   19 o 94.64512 2.076722  1894.573       80.32687 1841.366       
128.3890 1928.797       102.9697 93.52071 3.269949 95.76953 2.560962 -2.248825 
4.153443 
1 1 1 -10 6   20 o 288.7192 3.671119  17523.81       401.3982 17862.31       
755.7437 17390.79       473.7433 290.2054 6.202833 287.2331 3.928527 2.972351 
7.342238 
1 1 1 -10 6   21 o 216.2812 2.929019  9825.038       232.7043 9953.014       
459.3159 9780.849       269.9078 216.9753 5.042226 215.5872 2.982040 1.388062 
5.858038 
1 1 1 -10 6   22 o 117.7304 2.342597  2919.806       112.6210 2919.677       
181.7287 2919.887       143.4986 117.6802 3.678248 117.7805 2.901987 
-0.1002350     4.685194 
1 1 1 -10 6   23 o 22.98540 5.349544  103.8881       59.11284 138.4761       
94.12851 81.36391       75.95982 25.41816 7.950982 20.55263 7.159077 4.865524 
10.69909 
1 1 1 -10 6   24 o 82.99095 2.391349  1452.082       81.67673 1464.265       
129.1778 1443.968       105.4249 83.23449 3.696626 82.74741 3.034658 0.4870758 
4.782698 
1 1 1 -10 6   25 o 68.42274 2.700280  954.5583       75.21949 1141.545       
126.3547 851.9181       93.61473 73.37450 4.101734 63.47100 3.513095 9.903496 
5.400561 
1 1 1 -10 6   26 o 57.40874 3.206837  707.1111       71.89114 688.3731       
126.6834 716.0119       87.31194 56.68411 5.323281 58.13337 3.577414 -1.449261 
6.413674 
1 1 1 -10 6   27 o 61.01722 5.021430  799.4365       128.6349 0.000000       
0.000000 799.4365       128.6349 ?        ?        61.01722 5.021430 ? ? 
1 1 1 -10 6   28 o 27.89887 5.734472  173.2518       80.31510 50.06994       
116.5233 284.7389       110.8541 20.75358 8.462029 35.04416 7.741495 -14.29058 
11.46894 
1 1 1 -10 6   29 o 66.02962 3.557443  937.4498       98.01639 1040.684       
149.0183 858.7311       130.1266 69.15377 5.132688 62.90548 4.927183 6.248291 
7.114887 
1 1 1 -10 6   30 o 61.72895 3.957700  840.3783       101.3417 681.2432       
139.5011 1018.209       147.4682 55.31606 6.006859 68.14185 5.154726 -12.82580 
7.915400 
1 1 1 -10 6   31 o 120.8567 3.477200  3209.899       175.8787 3270.365       
260.1025 3158.962       238.7298 121.7043 5.090492 120.0090 4.738204 1.695290 
6.954401 
1 1 1 -10 6   32 o 65.62785 3.884463  970.2526       106.7596 915.7524       
152.9980 1021.970       149.0415 63.63956 5.726372 67.61614 5.250226 -3.976578 
7.768927 
1 1 1 -10 6   33 o 57.57597 4.610932  798.3799       105.9442 552.6089       
152.1896 1029.465       147.5726 47.61762 7.612693 67.53433 5.204776 -19.91671 
9.221865 
1 1 1 -10 6   34 o 78.30838 4.661646  1486.662       139.1830 1470.849       
251.6935 1493.628       167.0482 75.67558 7.922044 80.94118 4.915790 -5.265610 
9.323292 
1 1 1 -10 6   35 o 28.17330 6.630629  243.5607       94.02714 190.6757       
135.1142 293.2233       130.9332 25.18949 9.448798 31.15711 9.304901 -5.967619 
13.26126 
1 1 1 -10 7   1  o 284.1008 7.111437  16904.48       839.2665 16070.59       
1098.471 18073.89       1300.828 275.8643 9.484495 292.3373 10.59880 -16.47302 
14.22287 
1 1 1 -10 7   2  o 175.2515 5.128414  6354.619       308.1793 6670.728       
677.6483 6272.193       346.0336 177.7773 9.079231 172.7257 4.771801 5.051590 
10.25683 
1 1 1 -10 7   3  o 168.0908 3.598144  5788.867       225.7327 6274.818       
441.8995 5617.291       262.5759 172.6782 6.095469 163.5034 3.825156 9.174820 
7.196288 
1 1 1 -10 7   4  o 580.7770 13.88444  70867.89       1844.666 74816.25       
6516.286 70523.91       1923.341 583.1620 26.61534 578.3920 7.920545 4.770081 
27.76889 
1 1 1 -10 7   5  f 437.4785 12.03232  39193.57       1136.845 43135.58       
4328.330 38901.47       1178.211 445.1061 23.16210 429.8509 6.528694 15.25528 
24.06463 
1 1 1 -10 7   6  o 160.1207 2.943340  5177.336       152.2303 5724.067       
366.9127 5063.654       167.3101 164.9651 5.297752 155.2763 2.566481 9.688828 
5.886680 
1 1 1 -10 7   7  o 77.23724 2.371870  1221.162       73.83991 1366.102       
126.0579 1145.454       91.10601 80.62902 3.723916 73.84546 2.938626 6.783562 
4.743741 
1 1 1 -10 7   8  o 185.0421 3.408717  7106.283       235.0906 7406.934       
457.0312 6998.112       274.1393 187.5917 5.803009 182.4924 3.578059 5.099289 
6.817435 
1 1 1 -10 7   9  o 379.3818 3.869629  30157.19       457.1691 30491.18       
1128.940 30091.68       500.0007 380.3081 7.070601 378.4555 3.146856 1.852631 
7.739257 
1 1 1 -10 7   10 o 388.5786 6.714421  31988.98       1034.086 31883.26       
1783.259 32042.54       1269.287 387.5554 10.95977 389.6017 7.759970 -2.046265 
13.42884 
1 1 1 -10 7   11 o 50.37946 2.690246  521.7227       55.26938 582.2617       
91.58898 487.0518       69.31193 52.61972 4.145871 48.13919 3.429496 4.480526 
5.380491 
1 1 1 -10 7   12 o 220.4273 2.810460  9974.534       227.1490 10720.10       
456.2575 9728.845       261.9152 225.6785 4.815495 215.1761 2.899264 10.50238 
5.620919 
1 1 1 -10 7   13 o 67.69873 2.237815  965.3999       63.29955 940.9984       
93.56696 985.9927       85.95484 66.90337 3.331161 68.49409 2.989085 -1.590721 
4.475630 
1 1 1 -10 7   14 o 250.5225 2.657734  13055.02       221.0348 13447.35       
505.3751 12962.22       245.7901 252.6581 4.764328 248.3869 2.356984 4.271179 
5.315467 
1 1 1 -10 7   15 o 85.90211 2.148198  1557.684       76.65974 1507.175       
116.1586 1596.658       102.0357 84.65233 3.268387 87.15189 2.788666 -2.499565 
4.296395 
1 1 1 -10 7   16 o 151.9659 2.482536  4883.162       155.7615 4729.679       
241.3486 4992.724       203.9132 149.8716 3.835716 154.0601 3.152654 -4.188461 
4.965072 
1 1 1 -10 7   17 o 132.2790 2.262511  3687.260       117.3091 3668.074       
206.7590 3696.368       142.4584 131.9657 3.731852 132.5922 2.559123 
-0.6264496     4.525023 
1 1 1 -10 7   18 o 116.2809 2.294466  2878.763       109.6067 2675.754       
170.3612 3022.147       143.1742 112.7052 3.600376 119.8565 2.845274 -7.151344 
4.588931 
1 1 1 -10 7   19 o 95.69180 2.179908  1910.515       84.91865 1994.447       
139.5462 1861.155       107.0141 97.31813 3.415428 94.06548 2.709767 3.252655 
4.359815 
1 1 1 -10 7   20 o 202.9153 2.720680  8640.248       197.8946 8750.154       
405.1530 8605.812       226.7885 203.5500 4.740990 202.2806 2.670471 1.269424 
5.441360 
1 1 1 -10 7   21 o 56.83266 2.795918  683.9550       65.43571 665.4736       
102.3461 696.7333       85.10190 56.15480 4.341158 57.51052 3.524626 -1.355728 
5.591836 
1 1 1 -10 7   22 o 212.9948 3.846345  9492.004       312.0177 9909.554       
585.1277 9326.096       368.8329 215.8092 6.458057 210.1804 4.179831 5.628799 
7.692690 
1 1 1 -10 7   23 o 30.09391 4.973960  190.9834       61.76701 275.2379       
98.11588 135.6722       79.49676 35.30205 6.865028 24.88578 7.199480 10.41627 
9.947920 
1 1 1 -10 7   24 o 26.31196 5.105227  159.9978       61.23820 81.72515       
97.07513 211.7354       78.92347 21.71003 8.035609 30.91390 6.299392 -9.203867 
10.21045 
1 1 1 -10 7   25 o 100.1781 2.385201  2118.681       98.48550 2133.596       
154.9883 2108.580       127.5468 100.4095 3.676590 99.94665 3.039642 0.4628677 
4.770402 
1 1 1 -10 7   26 o 84.59853 2.492607  1519.782       87.59907 1488.172       
133.1525 1543.904       116.3152 83.76276 3.786338 85.43428 3.242838 -1.671516 
4.985213 
1 1 1 -10 7   27 o 88.49490 2.395450  1665.573       87.33456 1636.581       
136.7304 1685.553       113.5061 87.75157 3.711344 89.23823 3.029627 -1.486656 
4.790900 
1 1 1 -10 7   28 o 73.10259 3.264299  1149.904       99.92027 1132.025       
146.0177 1165.649       137.0275 72.49907 4.797271 73.70612 4.428182 -1.207047 
6.528599 
1 1 1 -10 7   29 o 61.86477 5.363189  835.3292       139.2982 835.3292       
139.2982 0.000000       0.000000 61.86477 5.363189 ?        ?        ? ? 
1 1 1 -10 7   30 o 27.51541 6.440908  179.6350       86.54908 193.8024       
125.9818 166.9721       119.1052 28.35725 9.235722 26.67356 8.980124 1.683685 
12.88182 
1 1 1 -10 7   31 o 43.32840 5.419024  451.0267       94.78218 386.6669       
139.6912 505.9354       129.0275 39.50527 8.659117 47.15154 6.517897 -7.646267 
10.83805 
1 1 1 -10 7   32 o 28.00066 6.597424  201.2969       91.41202 178.7505       
136.3116 219.7231       123.2285 26.79544 9.564602 29.20588 9.089685 -2.410437 
13.19485 
1 1 1 -10 7   33 o 38.99894 5.943166  391.1478       94.60862 354.0638       
135.1987 426.7325       132.4376 36.72295 8.858459 41.27492 7.925441 -4.551971 
11.88633 
1 1 1 -10 7   34 o 23.42037 6.622064  132.7501       97.46166 152.6667       
149.4256 118.0038       128.5756 24.35616 9.717889 22.48458 8.998309 1.871578 
13.24413 
1 1 1 -10 7   35 o 28.07886 6.725706  242.6786       94.78517 270.2191       
135.9319 216.6148       132.2374 29.53153 9.593513 26.62618 9.428945 2.905346 
13.45141 
1 1 1 -10 8   1  o 316.0593 9.104446  21058.44       1139.749 21722.09       
1984.021 20731.55       1392.435 319.1373 14.80777 312.9813 10.59687 6.156006 
18.20889 
1 1 1 -10 8   2  o 535.0795 12.35972  61085.62       2599.140 62430.62       
4578.425 60446.05       3157.207 537.3832 20.29332 532.7758 14.11496 4.607422 
24.71945 
1 1 1 -10 8   3  o 137.6767 3.380261  3869.104       166.8013 4210.524       
347.6378 3766.995       190.1150 141.4498 5.853907 133.9036 3.381779 7.546188 
6.760522 
1 1 1 -10 8   4  o 259.1531 5.101455  13525.11       328.8688 14949.20       
1079.509 13379.41       345.2816 265.9442 9.668451 252.3619 3.258898 13.58234 
10.20291 
1 1 1 -10 8   5  o 160.5333 3.384199  5280.361       160.5747 5616.748       
428.0715 5225.277       173.2235 163.3352 6.242486 157.7314 2.615833 5.603867 
6.768398 
1 1 1 -10 8   6  o 171.1084 2.847340  6078.691       160.4810 6275.479       
370.9836 6033.390       177.9969 172.7246 5.115894 169.4922 2.501403 3.232361 
5.694680 
1 1 1 -10 8   7  o 203.4822 2.720100  8414.035       174.4557 9143.785       
432.0201 8271.853       190.6951 208.4995 4.935373 198.4649 2.288638 10.03468 
5.440199 
1 1 1 -10 8   8  o 299.5427 3.615710  18789.14       375.8008 19035.72       
806.1544 18720.68       424.7787 300.6021 6.387739 298.4832 3.389721 2.118988 
7.231419 
1 1 1 -10 8   9  o 154.9521 2.862765  4996.775       175.3915 5198.867       
307.3277 4899.162       213.5901 157.2139 4.656201 152.6904 3.331889 4.523590 
5.725530 
1 1 1 -10 8   10 o 111.0200 1.845451  2566.547       82.14829 2664.507       
139.7526 2514.831       101.5434 112.6136 2.955901 109.4264 2.210297 3.187263 
3.690903 
1 1 1 -10 8   11 o 204.4562 2.511145  8827.469       205.5822 8653.329       
345.8306 8922.637       255.6592 202.8452 4.060877 206.0672 2.955110 -3.222046 
5.022290 
1 1 1 -10 8   12 o 173.5891 2.430073  6350.947       172.8540 6260.569       
275.3351 6409.739       222.0694 172.5382 3.800996 174.6399 3.028770 -2.101654 
4.860146 
1 1 1 -10 8   13 o 152.7065 2.238693  4846.158       134.4593 5061.509       
238.2625 4745.526       162.8728 155.1303 3.658306 150.2827 2.581431 4.847580 
4.477387 
1 1 1 -10 8   14 o 158.0086 2.950407  5278.221       189.0432 5169.705       
308.8470 5343.236       239.0575 156.6436 4.696257 159.3737 3.572784 -2.730179 
5.900815 
1 1 1 -10 8   15 o 13.26357 4.250309  -49.16669      50.40796 -14.65878      
79.79892 -72.07901      65.02380 15.25966 6.647082 11.26747 5.298753 3.992191 
8.500617 
1 1 1 -10 8   16 o 263.9609 3.515191  14732.83       339.9634 14651.09       
670.4712 14761.12       394.4277 263.1144 6.069551 264.8075 3.547793 -1.693054 
7.030383 
1 1 1 -10 8   17 o 137.2055 2.221588  4008.125       123.0103 3787.010       
201.2805 4139.941       155.4095 134.0995 3.575161 140.3114 2.638187 -6.211929 
4.443175 
1 1 1 -10 8   18 o 347.1036 4.078423  25233.59       525.9247 26140.86       
1024.974 24909.36       612.7355 350.5769 6.963867 343.6304 4.247198 6.946503 
8.156846 
1 1 1 -10 8   19 o 205.4380 2.633208  8931.105       222.5005 8697.078       
349.3881 9090.768       288.5851 203.0829 4.097847 207.7930 3.307989 -4.710098 
5.266416 
1 1 1 -10 8   20 o 79.50261 2.182742  1338.496       71.65894 1281.984       
110.6150 1379.364       94.06646 78.02751 3.376658 80.97771 2.766880 -2.950203 
4.365484 
1 1 1 -10 8   21 f 21.38411 5.128119  89.04079       58.02605 27.80137       
92.73647 128.4433       74.38699 18.49569 7.546506 24.27253 6.945549 -5.776840 
10.25624 
1 1 1 -10 8   22 o 52.23864 3.223604  592.6956       68.07007 509.2698       
107.5619 648.4272       87.91427 49.03117 5.225250 55.44611 3.776673 -6.414932 
6.447209 
1 1 1 -10 8   23 o 113.1764 2.157373  2701.837       98.66075 2689.598       
163.2204 2708.883       123.8472 112.9145 3.443070 113.4383 2.600444 
-0.5238647     4.314747 
1 1 1 -10 8   24 o 148.6241 3.026257  4716.144       182.5259 4535.892       
295.9978 4826.739       231.8553 146.1281 4.824761 151.1202 3.654396 -4.992111 
6.052515 
1 1 1 -10 8   25 o 22.85880 4.677576  115.6148       56.81911 -17.97066      
94.78931 190.5321       70.98567 16.41560 7.196632 29.30200 5.977236 -12.88640 
9.355152 
1 1 1 -10 8   26 o 97.21809 2.555451  1969.200       100.0963 2121.996       
169.7141 1887.699       123.9500 99.94456 4.044639 94.49163 3.124454 5.452927 
5.110901 
1 1 1 -10 8   27 o 29.44062 5.117965  194.3878       62.19990 221.6896       
97.11983 175.4020       80.98901 31.11326 7.509760 27.76798 6.955412 3.345282 
10.23593 
1 1 1 -10 8   28 o 122.8455 2.902126  3232.525       145.4518 3209.594       
234.5631 3246.852       185.4010 122.2145 4.571495 123.4766 3.576419 -1.262161 
5.804252 
1 1 1 -10 8   29 o 77.36270 3.536730  1295.868       114.3897 1341.288       
170.8662 1258.977       153.9897 78.49100 5.185101 76.23439 4.811295 2.256615 
7.073460 
1 1 1 -10 8   30 o 35.36455 10.33498  319.4705       163.0140 319.4705       
163.0140 0.000000       0.000000 35.36455 10.33498 ?        ?        ? ? 
1 1 1 -10 8   31 o 28.93462 6.437836  208.6155       89.30553 157.4058       
128.8797 255.9167       123.8638 25.95146 9.296521 31.91778 8.908290 -5.966326 
12.87567 
1 1 1 -10 8   32 o 25.83684 6.533718  160.8552       92.15435 106.3025       
135.7872 207.4363       125.4747 23.22730 9.264951 28.44638 9.215126 -5.219076 
13.06744 
1 1 1 -10 8   33 o 50.42326 5.268672  635.4670       101.7023 403.2392       
144.5169 863.3231       143.1503 39.21964 8.967946 61.62689 5.532774 -22.40726 
10.53734 
1 1 1 -10 8   34 o 51.63985 5.417505  677.1708       110.4647 500.5443       
154.6429 861.1938       157.8477 43.08055 8.853864 60.19916 6.245522 -17.11861 
10.83501 
1 1 1 -10 8   35 f 25.72951 6.144732  169.8651       93.76759 11.17952       
131.8117 332.4409       133.4177 17.97259 8.139138 33.48643 9.207895 -15.51385 
12.28946 
1 1 1 -10 9   1  o 34.79311 6.072799  257.3912       85.20096 297.1130       
144.4413 236.1955       105.5118 36.77958 9.334711 32.80663 7.770375 3.972946 
12.14560 
1 1 1 -10 9   2  o 281.2553 7.754591  16799.16       831.2231 16693.57       
1538.100 16842.72       987.9119 280.0518 13.08179 282.4589 8.330750 -2.407074 
15.50918 
1 1 1 -10 9   3  o 210.8924 4.974577  9270.067       348.5312 9544.912       
795.6783 9204.813       387.7048 212.5480 8.916647 209.2368 4.413510 3.311218 
9.949154 
1 1 1 -10 9   4  o 319.6178 6.074176  20526.83       368.3977 22783.62       
1622.723 20404.19       378.2748 327.5723 11.79935 311.6632 2.890966 15.90912 
12.14835 
1 1 1 -10 9   5  o 148.0304 4.252539  4311.596       152.7660 4996.628       
521.4863 4247.292       159.7754 153.8605 8.073036 142.2004 2.676272 11.66008 
8.505077 
1 1 1 -10 9   6  o 282.3628 5.272583  16349.23       489.9401 17581.02       
1144.233 16072.70       542.1536 288.2809 9.454084 276.4446 4.671273 11.83630 
10.54517 
1 1 1 -10 9   7  o 179.2753 3.168775  6547.466       200.9176 7154.357       
427.2726 6375.174       227.6577 184.3576 5.520330 174.1930 3.112954 10.16461 
6.337549 
1 1 1 -10 9   8  o 228.1914 3.814092  10847.46       307.7557 11173.37       
645.4292 10751.56       350.1206 230.2169 6.677786 226.1659 3.687327 4.050980 
7.628185 
1 1 1 -10 9   9  o 248.2720 3.549116  12885.51       329.5859 13165.46       
633.9742 12781.83       385.8218 249.9627 6.041121 246.5814 3.726898 3.381287 
7.098233 
1 1 1 -10 9   10 o 149.0551 2.934731  4684.846       175.9293 4630.830       
293.7166 4715.069       219.7012 148.3414 4.716146 149.7689 3.494072 -1.427505 
5.869461 
1 1 1 -10 9   11 o 178.5092 3.370632  6760.230       246.6072 6456.816       
389.1189 6963.900       318.8068 175.0769 5.293885 181.9415 4.173659 -6.864532 
6.741265 
1 1 1 -10 9   12 o 200.3674 3.006987  8512.612       241.3084 8232.626       
404.2259 8667.635       300.7828 197.7099 4.869865 203.0249 3.528782 -5.315063 
6.013974 
1 1 1 -10 9   13 o 58.52844 2.403575  724.4209       58.35833 692.2678       
88.57752 749.0824       77.57487 57.36539 3.677856 59.69150 3.095492 -2.326111 
4.807150 
1 1 1 -10 9   14 o 128.4649 2.518215  3493.866       131.1962 3386.932       
213.7051 3558.545       166.2028 126.8380 4.013161 130.0917 3.043054 -3.253731 
5.036431 
1 1 1 -10 9   15 o 154.0359 2.269828  5011.388       140.9674 4918.558       
233.5886 5064.563       176.7896 152.8628 3.639744 155.2090 2.713068 -2.346237 
4.539656 
1 1 1 -10 9   16 f 228.5520 3.813598  10927.20       335.8208 11325.92       
616.5412 10759.01       400.4348 231.1850 6.352190 225.9189 4.221825 5.266144 
7.627196 
1 1 1 -10 9   17 o 66.65210 2.509559  946.9528       68.83002 872.2217       
106.1230 1001.216       90.43013 64.33005 3.929312 68.97414 3.122827 -4.644096 
5.019118 
1 1 1 -10 9   18 o 76.53783 2.393306  1206.808       74.32402 1335.611       
124.6018 1135.668       92.60188 79.61354 3.727851 73.46211 3.002462 6.151428 
4.786612 
1 1 1 -10 9   19 o 149.4540 2.617720  4649.755       153.0282 4861.031       
274.0273 4554.009       184.4728 151.7953 4.299881 147.1127 2.986780 4.682663 
5.235440 
1 1 1 -10 9   20 o 148.3303 2.331260  4580.405       127.8047 4741.913       
251.3022 4524.059       148.4339 149.9722 3.991228 146.6884 2.410228 3.283798 
4.662521 
1 1 1 -10 9   21 o 159.4251 2.267334  5321.163       142.9027 5441.366       
249.4042 5262.412       174.3626 160.6787 3.697144 158.1715 2.625707 2.507263 
4.534667 
1 1 1 -10 9   22 o 61.92332 2.971502  844.6725       73.74226 660.4443       
114.7741 974.1872       96.23330 55.85795 4.894179 67.98869 3.371396 -12.13073 
5.943005 
1 1 1 -10 9   23 o 176.4213 2.771437  6536.048       193.6486 6700.115       
336.8203 6455.039       236.6760 177.8764 4.510254 174.9662 3.221967 2.910217 
5.542875 
1 1 1 -10 9   24 o 69.24664 2.663427  1000.030       75.80477 1081.270       
122.1415 949.1339       96.67706 71.45918 4.071236 67.03411 3.435173 4.425072 
5.326855 
1 1 1 -10 9   25 o 71.56946 2.624788  1085.612       77.71598 1077.400       
120.3730 1091.482       101.7686 71.28426 4.022134 71.85464 3.373496 
-0.5703812     5.249575 
1 1 1 -10 9   26 o 92.20128 2.281823  1808.338       87.26109 1728.818       
132.5043 1869.237       115.9562 90.34033 3.493570 94.06223 2.936297 -3.721901 
4.563647 
1 1 1 -10 9   27 o 63.26879 2.856754  830.7812       74.43498 966.8389       
120.3129 746.4086       94.74387 67.30404 4.257867 59.23354 3.809820 8.070499 
5.713507 
1 1 1 -10 9   28 o 26.88262 5.664961  163.0487       68.33623 193.7639       
104.7008 140.2537       90.19701 28.84496 8.235718 24.92028 7.780752 3.924673 
11.32992 
1 1 1 -10 9   29 o 91.19555 2.959562  1716.365       106.2849 1997.710       
191.8394 1591.759       127.6701 96.05352 4.757136 86.33758 3.522170 9.715942 
5.919124 
1 1 1 -10 9   30 o 73.66080 3.453043  1168.429       100.5334 1231.943       
176.1833 1137.764       122.4202 74.66867 5.620143 72.65294 4.013478 2.015732 
6.906085 
1 1 1 -10 9   31 f 66.65739 5.230573  983.0430       146.3782 0.000000       
0.000000 983.0430       146.3782 ?        ?        66.65739 5.230573 ? ? 
1 1 1 -10 9   32 o 75.61975 3.639962  1272.948       115.2248 1285.045       
169.7434 1262.610       156.9163 75.79169 5.334483 75.44781 4.953847 0.3438873 
7.279925 
1 1 1 -10 9   33 o 26.44979 6.345734  171.0421       93.47683 53.17237       
135.9382 276.7711       128.7471 20.68438 8.834496 32.21519 9.111806 -11.53082 
12.69147 
1 1 1 -10 9   34 o 23.11091 6.463445  128.6488       92.97253 120.5900       
133.7444 136.1846       129.3326 22.79270 9.154166 23.42912 9.127197 
-0.6364174     12.92689 
1 1 1 -10 9   35 o 22.03217 5.926520  74.16773       93.66490 -117.7671      
133.7145 259.0770       131.2444 14.92142 7.190374 29.14292 9.423008 -14.22150 
11.85304 
1 1 1 -10 10  1  o 249.8662 5.306090  13263.83       535.2067 12849.24       
880.9885 13506.35       673.7971 246.5603 8.510756 253.1722 6.339196 -6.611862 
10.61218 
1 1 1 -10 10  2  o 137.1140 4.260318  3727.727       211.1662 4423.082       
442.7923 3523.027       240.2457 144.7976 7.283830 129.4304 4.421204 15.36720 
8.520636 
1 1 1 -10 10  3  o 37.43837 5.317080  298.9518       75.51585 308.4778       
139.2921 294.9865       89.86901 37.44714 8.965436 37.42961 5.718943 
0.1752472E-01  10.63416 
1 1 1 -10 10  4  f 220.0376 4.768206  9829.584       327.0497 10779.84       
822.3530 9651.048       356.4513 225.8145 8.674161 214.2607 3.962586 11.55377 
9.536412 
1 1 1 -10 10  5  o 201.8194 5.349216  8613.673       317.3853 8573.174       
836.7563 8620.479       343.0184 201.1489 9.908374 202.4900 4.034921 -1.341049 
10.69843 
1 1 1 -10 10  6  o 476.3619 7.008777  46745.61       791.3292 49762.96       
2710.445 46464.45       827.3764 482.6559 13.37593 470.0678 4.192409 12.58810 
14.01755 
1 1 1 -10 10  7  o 235.3149 3.059282  11203.14       191.9319 12230.17       
581.0581 11077.36       203.3455 240.9652 5.743627 229.6646 2.108927 11.30066 
6.118564 
1 1 1 -10 10  8  o 215.9575 2.742938  9706.700       201.1588 9975.799       
446.0471 9637.997       225.3796 217.7145 4.879939 214.2005 2.506196 3.513977 
5.485875 
1 1 1 -10 10  9  o 260.7574 4.092274  14290.08       412.5169 14428.42       
748.3867 14229.70       494.4066 261.4653 6.817623 260.0495 4.528447 1.415833 
8.184547 
1 1 1 -10 10  10 f 288.7411 3.933989  17634.30       452.4947 17363.76       
770.2518 17776.87       559.1526 286.8624 6.395583 290.6199 4.582749 -3.757538 
7.867977 
1 1 1 -10 10  11 o 211.2202 2.710811  9165.521       195.8760 9764.921       
433.7475 9011.971       219.5364 215.3345 4.797826 207.1058 2.524848 8.228622 
5.421622 
1 1 1 -10 10  12 o 142.4448 2.813180  4273.564       163.4791 4253.781       
264.1725 4285.842       208.1155 142.1358 4.426954 142.7538 3.472465 
-0.6179352     5.626361 
1 1 1 -10 10  13 o 36.22479 3.633069  278.5913       54.32040 265.9442       
83.88396 287.7249       71.28572 35.49533 5.628968 36.95425 4.594722 -1.458912 
7.266137 
1 1 1 -10 10  14 o 164.5172 2.416065  5769.027       162.0191 5365.134       
257.4575 6033.857       208.4761 159.6375 3.841418 169.3969 2.931379 -9.759384 
4.832129 
1 1 1 -10 10  15 o 125.4995 1.998042  3332.419       102.8406 3214.125       
162.4376 3411.553       132.8581 123.6040 3.130224 127.3951 2.484028 -3.791115 
3.996085 
1 1 1 -10 10  16 o 201.2150 2.623532  8497.104       195.8357 8594.868       
380.6422 8461.911       228.3805 201.8388 4.491933 200.5911 2.711867 1.247711 
5.247065 
1 1 1 -10 10  17 o 93.24429 2.021199  1832.234       77.95553 1810.904       
120.7237 1847.490       102.0946 92.75996 3.099939 93.72864 2.594488 
-0.9686813     4.042399 
1 1 1 -10 10  18 o 147.6189 2.240274  4589.262       128.4779 4580.951       
230.4000 4593.013       154.7758 147.4447 3.721982 147.7930 2.494425 
-0.3482361     4.480548 
1 1 1 -10 10  19 o 179.7639 2.880238  6835.725       205.4561 6746.073       
352.7128 6881.768       252.7668 178.7363 4.700342 180.7915 3.330144 -2.055176 
5.760476 
1 1 1 -10 10  20 o 142.8251 2.923964  4251.096       164.4296 4449.712       
290.8159 4157.764       199.3541 145.1362 4.772692 140.5140 3.379299 4.622177 
5.847927 
1 1 1 -10 10  21 o 47.68626 3.114625  495.3664       60.01398 412.9970       
93.88753 552.2735       78.03843 44.18314 5.061421 51.18938 3.631196 -7.006245 
6.229251 
1 1 1 -10 10  22 o 54.01648 3.277894  633.3103       71.68252 548.1440       
113.1122 690.4704       92.66635 50.83778 5.299611 57.19518 3.859079 -6.357399 
6.555789 
1 1 1 -10 10  23 o 50.98545 3.076420  543.1588       65.39700 616.0550       
99.83472 488.3699       86.55169 53.93685 4.408767 48.03406 4.291878 5.902794 
6.152840 
1 1 1 -10 10  24 o 117.6622 2.646759  2881.383       123.5795 3071.308       
216.0334 2789.005       150.6652 120.3627 4.275139 114.9618 3.121621 5.400833 
5.293518 
1 1 1 -10 10  25 o 101.4629 2.459208  2179.917       101.9050 2167.969       
164.0999 2187.417       130.0115 101.1453 3.864412 101.7805 3.042555 
-0.6351242     4.918417 
1 1 1 -10 10  26 o 96.62735 2.308647  1935.516       90.66402 2134.576       
151.2256 1823.820       113.2799 100.3443 3.589664 92.91041 2.904088 7.433876 
4.617295 
1 1 1 -10 10  27 o 76.67200 2.795384  1282.604       87.69910 1059.933       
131.7342 1459.840       117.5284 70.39813 4.457163 82.94585 3.374965 -12.54772 
5.590768 
1 1 1 -10 10  28 o 71.95197 2.823543  1126.086       83.75594 938.2373       
122.9044 1288.967       114.4451 66.10040 4.428783 77.80352 3.503636 -11.70312 
5.647086 
1 1 1 -10 10  29 o 31.65267 5.463803  242.5517       72.04275 194.4853       
112.9228 275.5446       93.55579 28.63605 8.659389 34.66929 6.665400 -6.033236 
10.92761 
1 1 1 -10 10  30 o 77.58527 2.992841  1283.073       92.99815 1364.614       
159.0936 1240.749       114.6204 79.11143 4.789989 76.05909 3.589483 3.052345 
5.985682 
1 1 1 -10 10  31 o 18.63822 5.580570  31.03142       74.18196 -5.522015      
126.8220 50.04236       91.46026 18.60893 8.229295 18.66751 7.539876 
-0.5857468E-01 11.16114 
1 1 1 -10 10  32 o 22.30153 6.928277  29.42929       108.7676 116.8493       
219.0562 0.8245012      125.3053 26.08762 11.18080 18.51543 8.184970 7.572189 
13.85655 
1 1 1 -10 10  33 o 34.44547 6.301452  310.3914       97.39767 453.4049       
142.2459 184.1612       133.6389 42.26956 8.311706 26.62137 9.473581 15.64819 
12.60290 
1 1 1 -10 10  34 o 24.92526 6.679269  165.3540       96.08493 169.1437       
138.6357 161.8508       133.2911 25.11652 9.532379 24.73399 9.358648 0.3825283 
13.35854 
1 1 1 -10 10  35 o 30.91741 6.360362  284.7669       97.05064 149.1997       
137.7143 418.5224       136.7910 23.28300 9.314782 38.55182 8.663234 -15.26882 
12.72072 
1 1 1 -10 11  1  o 80.18877 3.393083  1291.579       109.1833 1562.255       
190.6456 1159.470       133.1889 86.13382 5.271984 74.24373 4.272966 11.89009 
6.786166 
1 1 1 -10 11  2  o 54.95031 3.792394  627.4734       82.57957 661.0794       
144.4487 611.1577       100.6490 56.00175 6.143744 53.89886 4.447856 2.102890 
7.584789 
1 1 1 -10 11  3  f 149.7001 4.694167  4512.577       233.3689 5083.592       
544.4750 4384.068       258.2976 155.0277 8.365458 144.3725 4.261447 10.65518 
9.388334 
1 1 1 -10 11  4  o 113.5710 3.254311  2792.113       128.4962 2574.277       
268.2896 2856.956       146.3769 110.5377 5.781154 116.6044 2.990052 -6.066719 
6.508621 
1 1 1 -10 11  5  f 222.8355 4.470670  10181.96       220.0074 10813.92       
815.3140 10132.33       228.4832 226.0457 8.591118 219.6253 2.477953 6.420425 
8.941339 
1 1 1 -10 11  6  o 106.5695 2.616939  2314.350       105.0118 2553.825       
203.4713 2227.405       122.6018 110.1773 4.398778 102.9617 2.836235 7.215584 
5.233878 
1 1 1 -10 11  7  o 268.0063 5.387335  14915.35       492.8145 15643.81       
1089.407 14727.92       552.5875 271.5227 9.556633 264.4899 4.976374 7.032806 
10.77467 
1 1 1 -10 11  8  o 142.1480 2.601622  4274.753       143.2540 4181.129       
256.9511 4316.978       172.5604 140.9645 4.341721 143.3315 2.867613 -2.367050 
5.203244 
1 1 1 -10 11  9  o 207.7065 2.948493  9062.411       239.5204 9118.581       
425.1357 9036.291       289.9109 208.0898 4.866288 207.3232 3.330717 0.7666168 
5.896986 
1 1 1 -10 11  10 o 295.1280 3.134165  18093.40       320.9112 18768.97       
692.4459 17908.61       362.1511 298.3574 5.528026 291.8986 2.955145 6.458862 
6.268330 
1 1 1 -10 11  11 o 126.3430 2.375351  3252.542       116.3598 3627.199       
214.8532 3097.044       138.4164 131.2925 3.897832 121.3936 2.715894 9.898827 
4.750703 
1 1 1 -10 11  12 o 161.7766 2.472144  5507.619       158.0067 5499.880       
274.5377 5511.452       193.2153 161.6330 4.045694 161.9203 2.842244 
-0.2872925     4.944289 
1 1 1 -10 11  13 o 96.22052 2.181145  1943.692       85.10205 1960.217       
140.0952 1934.028       107.1340 96.52129 3.457174 95.91975 2.660361 0.6015320 
4.362289 
1 1 1 -10 11  14 o 241.3210 3.632061  12372.12       345.7155 12066.26       
598.7217 12525.10       423.4399 238.8276 5.971200 243.8145 4.136693 -4.986923 
7.264121 
1 1 1 -10 11  15 o 57.13873 2.483761  672.7195       57.87493 747.6528       
95.82878 629.6950       72.61333 59.57384 3.831435 54.70362 3.161705 4.870220 
4.967522 
1 1 1 -10 11  16 o 245.3911 3.033879  12743.84       297.0145 12565.64       
504.1413 12838.57       367.5812 243.8852 4.923658 246.8970 3.546163 -3.011780 
6.067758 
1 1 1 -10 11  17 o 79.69043 2.344276  1340.364       76.27314 1323.062       
122.7308 1351.252       97.35665 79.24181 3.689099 80.13905 2.893627 
-0.8972321     4.688553 
1 1 1 -10 11  18 o 220.2202 3.995490  10156.98       344.6122 10578.02       
614.7149 9964.011       416.1564 223.1839 6.560424 217.2564 4.562521 5.927475 
7.990981 
1 1 1 -10 11  19 o 66.18925 2.606977  940.0855       70.55312 837.4097       
109.5978 1012.747       92.19743 63.01404 4.142721 69.36448 3.165940 -6.350441 
5.213953 
1 1 1 -10 11  20 o 18.81047 4.953097  48.43485       52.69014 92.63991       
83.50917 19.19760       67.91513 21.82624 7.515624 15.79470 6.453533 6.031545 
9.906195 
1 1 1 -10 11  21 o 182.7012 3.336587  7074.609       244.2670 6998.480       
411.0056 7116.184       303.7271 181.7420 5.386586 183.6604 3.939029 -1.918396 
6.673174 
1 1 1 -10 11  22 o 135.3847 2.126041  3713.462       110.2989 4222.809       
208.7669 3516.229       129.9107 141.4907 3.514429 129.2788 2.393530 12.21194 
4.252081 
1 1 1 -10 11  23 o 118.6754 2.669443  2961.287       127.4834 3030.054       
214.2986 2923.622       158.5991 119.6250 4.266959 117.7258 3.208857 1.899200 
5.338885 
1 1 1 -10 11  24 o 32.68141 4.914205  238.7524       64.31640 235.7175       
101.8314 240.7666       82.95711 32.36276 7.613440 33.00006 6.215559 
-0.6372948     9.828409 
1 1 1 -10 11  25 o 118.6152 2.355516  3004.626       114.1554 2839.938       
181.0617 3113.281       147.0682 115.7823 3.724821 121.4481 2.884359 -5.665741 
4.711031 
1 1 1 -10 11  26 o 62.31014 2.833324  823.6631       73.98036 853.9634       
108.6822 797.5007       100.9889 63.35995 4.085683 61.26033 3.926589 2.099617 
5.666649 
1 1 1 -10 11  27 o 71.57964 2.985825  1105.871       88.71223 985.6082       
130.7347 1208.504       120.7727 67.82227 4.591342 75.33699 3.818401 -7.514717 
5.971651 
1 1 1 -10 11  28 o 17.50922 5.285327  9.926985       67.92508 10.89434       
105.2718 9.236978       88.90903 18.19719 7.773370 16.82124 7.163342 1.375952 
10.57065 
1 1 1 -10 11  29 o 55.07708 3.311093  644.6445       75.77924 748.6616       
117.8724 571.3668       98.93413 58.75788 4.778229 51.39627 4.584960 7.361618 
6.622185 
1 1 1 -10 11  30 o 22.14957 5.723169  99.05410       74.33708 3.462818       
125.9421 150.1636       92.09004 19.04767 8.323325 25.25147 7.857538 -6.203800 
11.44634 
1 1 1 -10 11  31 o 102.0393 2.674970  2215.962       103.1371 2325.121       
195.6789 2173.972       121.3634 103.1434 4.518806 100.9352 2.863956 2.208214 
5.349940 
1 1 1 -10 11  32 o 19.29245 5.711061  20.89758       76.34822 114.8207       
128.6268 -30.19351      94.86761 23.34990 9.101044 15.23500 6.901875 8.114902 
11.42212 
1 1 1 -10 11  33 o 22.54836 5.749567  30.38617       92.33262 264.9519       
131.6967 -196.3758      129.4875 31.33975 9.326418 13.75697 6.726664 17.58278 
11.49913 
1 1 1 -10 11  34 o 29.06230 9.680303  244.6446       138.4026 244.6446       
138.4026 0.000000       0.000000 29.06230 9.680303 ?        ?        ? ? 
1 1 1 -10 11  35 o 17.94278 5.712793  10.89768       90.06176 51.90430       
135.7205 -21.36655      120.3868 19.44693 8.567610 16.43862 7.559106 3.008316 
11.42559 
1 1 1 -10 12  1  o 201.9496 6.541606  8438.513       500.6254 9181.348       
955.6110 8157.525       587.7319 207.4452 10.97233 196.4540 7.125897 10.99120 
13.08321 
1 1 1 -10 12  2  o 145.2391 4.346759  4408.082       224.2181 4529.827       
466.8182 4371.573       255.6364 146.3393 7.598152 144.1389 4.224374 2.200333 
8.693518 
1 1 1 -10 12  3  o 133.4638 3.342188  3710.906       160.7624 3826.767       
328.0573 3674.290       184.4245 134.7222 5.800051 132.2054 3.322694 2.516754 
6.684376 
1 1 1 -10 12  4  o 85.28537 3.085593  1454.972       91.45564 1667.470       
201.5068 1399.844       102.6353 88.95735 5.395466 81.61340 2.995411 7.343956 
6.171187 
1 1 1 -10 12  5  o 104.0285 2.957626  2013.158       95.88245 2690.169       
252.1092 1898.672       103.6730 112.9948 5.314363 95.06211 2.597642 17.93269 
5.915252 
1 1 1 -10 12  6  o 150.4082 2.844186  4720.628       157.8583 4840.403       
310.4763 4678.870       183.3221 151.6074 4.877858 149.2091 2.926446 2.398315 
5.688373 
1 1 1 -10 12  7  f 193.2108 3.868276  7569.433       252.7061 8381.787       
573.4474 7373.656       281.5150 199.1688 6.857934 187.2527 3.580918 11.91606 
7.736552 
1 1 1 -10 12  8  o 154.2339 3.142677  4959.657       185.7343 5126.306       
344.1969 4891.197       220.6103 155.9552 5.256880 152.5125 3.445413 3.442688 
6.285353 
1 1 1 -10 12  9  o 200.0942 2.568313  8073.325       163.9961 8966.721       
401.7878 7894.733       179.6415 206.3321 4.638216 193.8562 2.207232 12.47589 
5.136625 
1 1 1 -10 12  10 o 78.43147 2.172318  1252.292       69.82175 1481.296       
114.8916 1118.189       87.91983 83.92845 3.260619 72.93448 2.871277 10.99397 
4.344636 
1 1 1 -10 12  11 o 78.20149 2.107676  1302.285       68.14822 1169.786       
102.4921 1407.284       91.23875 74.57744 3.273438 81.82555 2.655898 -7.248116 
4.215352 
1 1 1 -10 12  12 o 312.2290 5.427981  20537.56       667.9385 21186.46       
1174.238 20227.16       812.1257 315.2402 8.872285 309.2178 6.255756 6.022369 
10.85596 
1 1 1 -10 12  13 o 78.72868 2.071542  1295.697       66.37357 1335.161       
108.8364 1272.329       83.75010 79.66016 3.254275 77.79721 2.564144 1.862953 
4.143083 
1 1 1 -10 12  14 o 58.19059 2.437012  676.0715       57.92994 937.9622       
94.52287 518.5305       73.31178 66.75400 3.372723 49.62718 3.518643 17.12682 
4.874024 
1 1 1 -10 12  15 o 55.66353 2.507004  636.7655       57.79478 753.5229       
91.34677 558.8284       74.63172 59.81075 3.637769 51.51631 3.450641 8.294434 
5.014009 
1 1 1 -10 12  16 o 39.10905 3.646913  322.1313       58.97028 330.6539       
92.27896 316.2485       76.66736 39.52157 5.561470 38.69652 4.719105 0.8250504 
7.293826 
1 1 1 -10 12  17 o 84.12582 2.369971  1497.353       82.34311 1448.596       
127.4105 1532.326       107.9062 82.91934 3.659911 85.33230 3.011994 -2.412956 
4.739943 
1 1 1 -10 12  18 o 68.65411 2.631980  984.6176       74.93806 1045.831       
116.7971 941.7864       97.69878 70.43618 3.949637 66.87206 3.479890 3.564125 
5.263959 
1 1 1 -10 12  19 o 68.06219 2.445816  978.6642       69.66285 922.7905       
100.6962 1029.952       96.47558 66.18230 3.624034 69.94207 3.285489 -3.759766 
4.891631 
1 1 1 -10 12  20 o 22.35412 4.424109  83.81311       60.52733 -114.5046      
95.97504 214.7782       77.99294 13.42252 6.354500 31.28572 6.157214 -17.86320 
8.848218 
1 1 1 -10 12  21 o 135.5225 2.505867  3860.484       138.2934 3920.895       
225.6112 3824.123       175.0318 136.2989 3.942661 134.7462 3.094009 1.552673 
5.011733 
1 1 1 -10 12  22 f 110.3627 2.275492  2616.526       100.7162 2395.016       
165.5580 2746.666       126.8988 106.5066 3.702498 114.2187 2.646313 -7.712128 
4.550985 
1 1 1 -10 12  23 o 83.26249 2.522233  1469.499       86.14548 1441.479       
136.5828 1488.009       111.0107 82.54227 3.941310 83.98271 3.148445 -1.440445 
5.044465 
1 1 1 -10 12  24 f 113.8744 2.166609  2748.103       103.1533 2562.802       
149.3482 2917.142       142.6441 110.1542 3.229385 117.5947 2.889266 -7.440414 
4.333219 
1 1 1 -10 12  25 o 127.3015 2.225071  3444.790       118.1001 3218.050       
173.9293 3638.762       160.8716 123.3317 3.359069 131.2712 2.918977 -7.939514 
4.450143 
1 1 1 -10 12  26 o 111.4880 2.913165  2634.404       135.9163 2504.962       
183.4912 2791.765       202.3137 108.5018 4.028091 114.4741 4.209584 -5.972252 
5.826330 
1 1 1 -10 12  27 o 82.82180 2.886854  1455.647       99.71463 1539.799       
151.5298 1391.375       132.4281 84.86058 4.253173 80.78302 3.904642 4.077560 
5.773709 
1 1 1 -10 12  28 o 37.95535 4.802317  329.2573       73.48036 292.5604       
111.0788 357.8113       97.98276 35.45289 7.679362 40.45782 5.768571 -5.004932 
9.604634 
1 1 1 -10 12  29 o 40.68870 4.693757  399.0030       73.36183 266.3160       
111.7962 499.3503       97.22232 33.43084 8.049746 47.94657 4.829804 -14.51573 
9.387513 
1 1 1 -10 12  30 o 64.37611 3.143061  876.2858       83.53809 1035.179       
133.8535 774.9108       106.9159 68.93987 4.624667 59.81235 4.257675 9.127522 
6.286122 
1 1 1 -10 12  31 o 47.94482 4.198071  513.8741       81.40923 531.1042       
134.9258 504.0108       102.0848 48.14489 6.675224 47.74475 5.092798 0.4001427 
8.396143 
1 1 1 -10 12  32 o 35.74545 5.593562  296.6386       79.73989 414.4228       
134.1168 232.2363       99.17225 40.89176 8.100173 30.59913 7.716147 10.29263 
11.18712 
1 1 1 -10 12  33 o 26.76566 6.216563  185.4877       79.16983 186.8785       
132.4995 184.7155       98.73260 26.67651 9.439139 26.85480 8.092298 
-0.1782913     12.43313 
1 1 1 -10 12  34 o 20.73330 6.260051  71.20436       96.43925 81.37330       
138.3499 61.59309       134.5028 21.17216 8.972879 20.29444 8.731575 0.8777237 
12.52010 
1 1 1 -10 12  35 o 15.74954 7.757885  -216.0160      179.2391 -216.0160      
179.2391 0.000000       0.000000 15.74954 7.757885 ?        ?        ? ? 
1 1 1 -10 13  1  o 209.1550 5.195569  9348.813       420.5343 9047.930       
752.7344 9485.335       507.0427 206.3138 8.690294 211.9962 5.696887 -5.682327 
10.39114 
1 1 1 -10 13  2  o 91.26997 3.181747  1668.744       107.2201 1935.768       
216.6487 1582.127       123.3907 95.80498 5.386281 86.73498 3.388514 9.070000 
6.363493 
1 1 1 -10 13  3  o 123.7753 3.277654  3199.261       149.1337 3284.434       
295.0743 3170.041       172.8327 124.7723 5.632929 122.7784 3.352933 1.993881 
6.555307 
1 1 1 -10 13  4  o 216.0328 4.346941  9157.417       200.1857 10697.05       
788.2809 9051.278       206.9708 224.5083 8.363145 207.5573 2.375157 16.95107 
8.693881 
1 1 1 -10 13  5  o 151.1243 3.825845  4702.508       186.7635 4996.801       
445.5360 4639.771       205.7095 153.7061 6.904189 148.5424 3.298564 5.163681 
7.651689 
1 1 1 -10 13  6  o 204.3716 3.602214  8828.705       251.5406 8762.350       
548.0504 8846.413       283.1230 203.6357 6.410436 205.1075 3.287870 -1.471786 
7.204427 
1 1 1 -10 13  7  o 98.04062 2.383008  2035.858       90.79483 1983.411       
161.7341 2059.993       109.7144 97.07633 3.968343 99.00491 2.639539 -1.928581 
4.766016 
1 1 1 -10 13  8  o 40.93262 3.438858  359.6299       57.10534 325.8915       
91.08821 381.4767       73.29836 39.29780 5.520965 42.56744 4.101453 -3.269638 
6.877716 
1 1 1 -10 13  9  o 33.81581 3.903321  255.1770       50.85392 213.8079       
83.62241 279.4556       64.06133 31.20332 6.587758 36.42830 4.188689 -5.224976 
7.806643 
1 1 1 -10 13  10 o 86.81946 2.204479  1550.271       78.04726 1728.810       
129.3204 1447.984       97.88343 90.64905 3.398013 82.98988 2.809345 7.659172 
4.408958 
1 1 1 -10 13  11 o 196.5438 2.232150  7889.672       146.2855 8518.407       
336.3308 7742.979       162.4570 201.1121 3.983361 191.9755 2.015643 9.136551 
4.464300 
1 1 1 -10 13  12 o 45.43317 3.150634  442.4337       58.92446 390.3218       
89.33871 482.5589       78.39351 43.00245 4.948431 47.86389 3.901155 -4.861439 
6.301269 
1 1 1 -10 13  13 o 113.6786 2.117783  2630.495       93.21970 2945.701       
172.6840 2500.863       110.7418 118.2857 3.477291 109.0716 2.418360 9.214043 
4.235566 
1 1 1 -10 13  14 o 193.1518 3.120486  7876.331       235.3988 7857.146       
417.8693 7885.250       284.9067 192.7999 5.162438 193.5037 3.506989 
-0.7038116     6.240973 
1 1 1 -10 13  15 o 210.9758 2.894535  9318.708       224.8874 9527.610       
443.2079 9246.273       260.9793 212.3286 4.971873 209.6229 2.965435 2.705734 
5.789070 
1 1 1 -10 13  16 o 172.4235 2.256660  6258.434       153.9730 6257.758       
266.7469 6258.772       188.5572 172.3361 3.686755 172.5109 2.603441 
-0.1747894     4.513321 
1 1 1 -10 13  17 o 47.22729 3.255865  454.6091       63.33548 598.6661       
100.0830 358.3816       81.79803 53.25970 4.475924 41.19489 4.729558 12.06481 
6.511729 
1 1 1 -10 13  18 o 155.3434 2.948668  5104.635       185.7601 5030.840       
303.8705 5148.667       234.7268 154.3475 4.689321 156.3393 3.576149 -1.991791 
5.897336 
1 1 1 -10 13  19 o 91.48225 2.317982  1740.030       86.77871 1859.239       
141.3082 1667.852       109.9549 93.93874 3.582973 89.02576 2.941847 4.912971 
4.635964 
1 1 1 -10 13  20 o 49.82040 3.292378  525.7114       67.03833 519.9611       
107.5987 529.3597       85.70596 49.55708 5.171570 50.08373 4.076012 
-0.5266495     6.584756 
1 1 1 -10 13  21 o 19.10482 4.921675  41.77724       60.97076 -83.39021      
97.66399 121.7147       78.04839 14.45640 6.709512 23.75324 7.202360 -9.296834 
9.843350 
1 1 1 -10 13  22 o 24.20017 5.108998  118.3984       56.99368 180.4198       
88.83196 75.00616       74.30264 28.43369 7.378943 19.96665 7.068144 8.467043 
10.21800 
1 1 1 -10 13  23 o 245.2143 4.331047  12824.17       423.1327 13051.52       
724.8784 12706.67       521.1325 246.0953 7.015892 244.3333 5.080268 1.762024 
8.662094 
1 1 1 -10 13  24 o 99.11394 2.353005  2084.876       95.95748 2032.415       
150.5290 2120.788       124.5430 97.98817 3.659045 100.2397 2.959380 -2.251518 
4.706011 
1 1 1 -10 13  25 o 38.79243 5.099595  362.5653       78.52382 527.9137       
107.4300 172.8921       115.0612 49.66516 5.152227 27.91969 8.802160 21.74546 
10.19919 
1 1 1 -10 13  26 o 53.23694 3.792078  611.8243       84.50993 642.4160       
117.2756 578.7790       121.8880 54.68678 5.107945 51.78709 5.606097 2.899693 
7.584156 
1 1 1 -10 13  27 o 62.90962 3.321402  850.0892       87.51944 858.7592       
128.4811 842.5833       119.5439 63.16167 4.845144 62.65758 4.544384 0.5040894 
6.642804 
1 1 1 -10 13  28 o 130.2562 2.916376  3664.602       156.7344 3496.941       
241.9955 3785.754       205.7106 127.3859 4.524880 133.1266 3.680552 -5.740715 
5.832753 
1 1 1 -10 13  29 o 61.91536 3.307468  821.8438       85.06104 900.3553       
132.2658 766.4709       111.0782 64.30785 4.898968 59.52286 4.444941 4.784996 
6.614936 
1 1 1 -10 13  30 o 29.27915 5.665341  215.6131       74.91265 134.7720       
116.8982 271.9470       97.58351 24.59254 8.849451 33.96576 7.076128 -9.373222 
11.33068 
1 1 1 -10 13  31 o 40.62441 4.516617  384.4153       72.26334 360.9867       
116.3276 399.1376       92.21404 38.82613 7.402220 42.42270 5.177496 -3.596573 
9.033235 
1 1 1 -10 13  32 o 34.62994 5.884296  305.1688       82.01764 294.2325       
138.7681 311.0402       101.6779 33.28384 9.474457 35.97604 6.981006 -2.692200 
11.76859 
1 1 1 -10 13  33 o 47.89281 4.324392  514.3375       84.28237 611.5638       
141.3656 460.7186       104.9809 50.88518 6.617188 44.90045 5.569046 5.984734 
8.648784 
1 1 1 -10 13  34 o 36.12321 5.191115  333.5175       75.91429 330.1884       
104.2707 337.2725       110.7391 36.11647 7.130491 36.12994 7.546310 
-0.1347733E-01 10.38223 
1 1 1 -10 13  35 o 16.30643 5.325794  -24.51200      84.35558 -35.58195      
134.0738 -17.25851      108.5287 16.76042 7.810556 15.85243 7.242342 0.9079914 
10.65159 
1 1 1 -10 14  1  o 181.4871 4.622845  6918.922       342.6147 7210.292       
558.0261 6742.629       434.0605 184.3604 7.209545 178.6138 5.788371 5.746628 
9.245689 
1 1 1 -10 14  2  o 162.3807 5.079947  5253.066       290.1087 6225.382       
632.3848 4993.894       326.4917 170.9084 8.813309 153.8530 5.054607 17.05548 
10.15989 
1 1 1 -10 14  3  o 130.2047 4.060986  3644.858       198.0729 3438.880       
372.1598 3726.264       233.9620 127.4006 6.957916 133.0088 4.189729 -5.608253 
8.121972 
1 1 1 -10 14  4  o 105.0787 3.053106  2015.065       95.39071 2793.971       
267.8134 1901.890       102.0859 115.0317 5.545434 95.12573 2.556165 19.90601 
6.106212 
1 1 1 -10 14  5  o 119.9776 3.558039  2827.795       122.7728 3331.922       
346.1285 2755.240       131.3107 125.4708 6.570765 114.4844 2.731963 10.98634 
7.116078 
1 1 1 -10 14  6  o 206.3225 3.354252  8898.129       217.7144 9091.230       
531.9710 8859.278       238.6125 207.3617 6.110554 205.2834 2.768601 2.078232 
6.708504 
1 1 1 -10 14  7  o 154.0780 2.886027  4879.054       150.9964 5207.168       
337.7967 4797.121       168.7993 157.0917 5.121808 151.0644 2.661519 6.027344 
5.772053 
1 1 1 -10 14  8  o 114.4149 2.291157  2704.524       103.6516 2899.386       
182.8283 2612.227       125.8269 117.3593 3.710625 111.4705 2.688653 5.888786 
4.582314 
1 1 1 -10 14  9  o 233.2477 3.114370  11388.54       265.8844 11630.27       
528.7968 11306.75       307.5953 234.6591 5.367505 231.8363 3.160235 2.822769 
6.228739 
1 1 1 -10 14  10 o 150.3444 2.218978  4642.267       125.2729 5008.458       
242.5715 4509.078       146.2913 154.2207 3.746433 146.4681 2.379012 7.752640 
4.437956 
1 1 1 -10 14  11 o 178.9141 2.235437  6794.492       160.1377 6535.804       
268.0380 6938.081       199.6953 176.1760 3.623854 181.6523 2.618473 -5.476242 
4.470874 
1 1 1 -10 14  12 f 34.97491 3.931041  253.8239       55.47812 332.1451       
87.38038 200.9313       71.80784 39.64039 5.250456 30.30942 5.851927 9.330971 
7.862082 
1 1 1 -10 14  13 o 158.2105 2.128400  5302.203       136.9906 5120.928       
221.1919 5415.000       174.4811 155.9529 3.378289 160.4681 2.589886 -4.515213 
4.256800 
1 1 1 -10 14  14 o 120.1299 2.247537  3044.595       109.3247 3011.575       
179.7059 3063.996       137.7465 119.5671 3.579907 120.6926 2.718447 -1.125511 
4.495074 
1 1 1 -10 14  15 f 187.4038 2.769600  7333.486       192.7610 7553.710       
375.6415 7254.767       224.5852 189.1153 4.731164 185.6922 2.880770 3.423157 
5.539201 
1 1 1 -10 14  16 o 146.6051 2.378854  4520.035       140.5922 4545.258       
234.4654 4505.874       175.6792 146.8621 3.802681 146.3481 2.859265 0.5140686 
4.757708 
1 1 1 -10 14  17 o 136.6689 2.430451  3786.518       129.2318 4322.864       
238.2200 3562.849       153.8358 143.1986 3.962420 130.1391 2.815598 13.05943 
4.860902 
1 1 1 -10 14  18 o 200.3925 3.608072  8514.533       293.1920 8401.272       
479.7516 8582.051       370.4127 199.1328 5.738452 201.6523 4.375260 -2.519470 
7.216144 
1 1 1 -10 14  19 o 70.34886 2.630977  1029.566       75.34972 1098.428       
124.3688 989.6312       94.71119 72.15042 4.105762 68.54731 3.291031 3.603111 
5.261954 
1 1 1 -10 14  20 o 148.0153 2.420971  4588.863       144.9328 4727.191       
241.2396 4510.735       181.2992 149.6701 3.839147 146.3605 2.950483 3.309555 
4.841941 
1 1 1 -10 14  21 o 112.0590 2.683744  2660.518       124.6726 2596.522       
190.8540 2708.152       164.6593 110.8227 4.101979 113.2954 3.461746 -2.472672 
5.367487 
1 1 1 -10 14  22 o 87.89621 2.496139  1616.824       89.39450 1693.573       
146.6467 1571.439       112.7699 89.48000 3.903618 86.31242 3.112009 3.167580 
4.992278 
1 1 1 -10 14  23 f 72.78041 2.677956  1106.751       80.63577 1202.991       
127.2589 1042.191       104.2302 75.35188 4.022676 70.20895 3.536080 5.142937 
5.355912 
1 1 1 -10 14  24 o 113.1635 2.099014  2708.704       98.91924 2665.794       
149.0419 2742.487       132.2453 112.3169 3.160710 114.0102 2.762851 -1.693344 
4.198027 
1 1 1 -10 14  25 o 101.1837 2.544931  2163.477       107.8822 2055.713       
146.8506 2289.828       159.0109 98.46933 3.552186 103.8980 3.645364 -5.428680 
5.089863 
1 1 1 -10 14  26 o 28.17112 5.599553  181.0446       68.64191 173.2318       
91.98751 190.8611       103.1106 27.52662 7.675023 28.81562 8.155611 -1.288992 
11.19911 
1 1 1 -10 14  27 o 34.50514 5.571067  277.1681       79.09692 251.4354       
110.9702 303.7430       112.7714 32.77431 8.100677 36.23597 7.650243 -3.461655 
11.14213 
1 1 1 -10 14  28 o 86.03000 2.847885  1574.024       101.3989 1670.599       
159.1358 1508.013       131.5653 88.09975 4.302436 83.96024 3.732405 4.139503 
5.695770 
1 1 1 -10 14  29 f 42.72337 4.064040  410.2808       71.44566 336.3532       
104.1919 475.8922       98.15680 38.76824 6.401458 46.67850 5.008694 -7.910263 
8.128080 
1 1 1 -10 14  30 o 21.20795 5.684159  82.38043       72.82800 24.56028       
108.5229 129.7556       98.23288 18.61413 7.920106 23.80177 8.155401 -5.187641 
11.36832 
1 1 1 -10 14  31 o 13.75156 4.611733  -118.4070      75.03320 -275.2082      
127.7508 -35.82843      92.70911 12.58218 6.252264 14.92094 6.780968 -2.338762 
9.223467 
1 1 1 -10 14  32 o 36.94756 5.545967  342.9630       81.60773 308.8541       
136.0125 362.1493       102.0098 34.18584 9.251509 39.70927 6.118871 -5.523430 
11.09193 
1 1 1 -10 14  33 o 64.72986 3.553244  912.8642       88.65343 1029.823       
164.6516 865.1139       105.2054 66.72298 5.877754 62.73675 3.994267 3.986229 
7.106488 
1 1 1 -10 14  34 o 47.06694 4.492252  525.5894       86.76260 584.9627       
140.5682 489.0492       110.2749 48.63294 6.884583 45.50094 5.772678 3.132000 
8.984504 
1 1 1 -10 14  35 o 24.36958 5.409779  132.6295       79.81409 -43.50861      
112.8421 308.9679       112.9062 15.33092 7.152553 33.40824 8.118116 -18.07732 
10.81956 
1 1 1 -10 15  1  o 96.30480 3.394232  1906.074       123.3010 2076.143       
237.4062 1843.254       144.2874 99.05719 5.708567 93.55241 3.673623 5.504776 
6.788464 
1 1 1 -10 15  2  o 139.5172 4.158085  4034.124       187.3986 4255.078       
445.8431 3986.711       206.5285 141.4320 7.508539 137.6025 3.574989 3.829514 
8.316171 
1 1 1 -10 15  3  o 301.3356 7.873996  18923.01       693.9119 20595.33       
1869.508 18655.80       747.2961 305.7931 14.56199 296.8782 5.995639 8.914886 
15.74799 
1 1 1 -10 15  4  o 137.6069 3.758487  3726.111       146.5315 4385.749       
420.2071 3634.795       156.3453 143.7468 6.962838 131.4669 2.832626 12.27985 
7.516973 
1 1 1 -10 15  5  o 179.9959 4.926400  6495.249       208.2102 7352.440       
731.0269 6419.573       217.2066 185.2914 9.397215 174.7005 2.961421 10.59093 
9.852799 
1 1 1 -10 15  6  o 78.45850 2.292874  1311.910       73.82571 1209.267       
114.8040 1384.284       96.40122 75.78569 3.608203 81.13130 2.830187 -5.345612 
4.585749 
1 1 1 -10 15  7  o 190.6466 3.388009  7618.281       217.2301 7758.579       
486.4723 7583.338       242.7795 191.4323 6.052907 189.8609 3.045773 1.571396 
6.776018 
1 1 1 -10 15  8  o 367.9583 6.598544  29075.73       985.5689 28760.00       
1607.894 29265.75       1247.371 365.3721 10.48197 370.5446 8.018189 -5.172546 
13.19709 
1 1 1 -10 15  9  o 199.6994 2.945482  8370.695       230.7295 8510.079       
408.2111 8305.263       279.6926 200.7661 4.843011 198.6328 3.353908 2.133316 
5.890965 
1 1 1 -10 15  10 o 176.6414 2.383111  6402.078       153.6789 6908.192       
310.9700 6238.528       176.7738 181.0222 4.091736 172.2605 2.444293 8.761719 
4.766222 
1 1 1 -10 15  11 o 68.42920 2.358840  970.8218       66.86265 1075.457       
105.3091 900.1534       86.54470 71.46046 3.510113 65.39794 3.152082 6.062515 
4.717680 
1 1 1 -10 15  12 o 123.0291 2.439556  3180.162       124.6633 3238.102       
191.5401 3137.581       164.2016 123.9717 3.680087 122.0866 3.203543 1.885170 
4.879111 
1 1 1 -10 15  13 o 97.89954 2.296190  2015.135       92.81548 2032.182       
145.3360 2003.393       120.6153 98.22353 3.524348 97.57555 2.944303 0.6479721 
4.592379 
1 1 1 -10 15  14 o 125.3013 2.146534  3323.148       108.9634 3230.039       
178.0676 3378.882       137.7682 123.8474 3.424672 126.7553 2.588834 -2.907867 
4.293069 
1 1 1 -10 15  15 o 140.6509 2.098921  4088.769       113.1987 4343.490       
210.8990 3985.688       134.1622 143.6086 3.497963 137.6932 2.320806 5.915421 
4.197843 
1 1 1 -10 15  16 o 134.0722 2.765814  3727.307       147.4592 3979.772       
256.8385 3603.168       180.1001 137.3213 4.454957 130.8232 3.279066 6.498032 
5.531628 
1 1 1 -10 15  17 o 88.73219 2.120095  1658.956       77.55271 1646.169       
121.5475 1667.735       100.7179 88.42194 3.274214 89.04243 2.694204 
-0.6204910     4.240191 
1 1 1 -10 15  18 o 114.6703 2.714999  2695.158       123.4697 3006.025       
218.2186 2548.775       149.7443 119.3252 4.355927 110.0154 3.242034 9.309746 
5.429999 
1 1 1 -10 15  19 o 187.8970 3.060114  7483.340       230.3574 7376.141       
387.4152 7541.968       286.5066 186.6694 4.943385 189.1246 3.608343 -2.455109 
6.120228 
1 1 1 -10 15  20 o 156.1836 2.476501  5168.163       160.4973 4990.375       
244.0863 5303.581       213.0260 153.7435 3.781532 158.6237 3.198789 -4.880295 
4.953002 
1 1 1 -10 15  21 o 189.4061 3.531159  7634.021       273.3683 7554.025       
438.5788 7684.847       349.5854 188.3354 5.546726 190.4767 4.371519 -2.141327 
7.062318 
1 1 1 -10 15  22 o 42.91663 3.789255  390.2493       67.20271 406.3082       
105.6332 379.3304       87.10284 43.60091 5.770664 42.23236 4.912561 1.368549 
7.578511 
1 1 1 -10 15  23 o 148.4542 3.017511  4610.157       176.1955 4875.143       
312.7792 4486.980       213.2505 151.2568 4.925429 145.6516 3.487354 5.605225 
6.035022 
1 1 1 -10 15  24 o 130.1766 3.145548  3612.599       171.6905 3460.164       
245.2717 3759.056       240.4153 127.4235 4.584784 132.9296 4.307859 -5.506104 
6.291096 
1 1 1 -10 15  25 o 228.8316 5.552069  11543.14       532.1865 11134.49       
724.1204 12023.12       784.7854 224.6940 7.676096 232.9691 8.023680 -8.275162 
11.10414 
1 1 1 -10 15  26 f 89.27179 3.142450  1692.837       117.0816 1459.114       
158.4435 1973.974       173.7730 82.48663 4.575220 96.05694 4.308982 -13.57030 
6.284900 
1 1 1 -10 15  27 o 58.20932 3.774941  746.4061       90.59351 883.2880       
126.3073 601.3807       130.0101 64.00543 4.700376 52.41320 5.908232 11.59223 
7.549883 
1 1 1 -10 15  28 f 21.95934 5.786069  85.33484       73.67488 139.5628       
107.0331 36.50541       101.5658 24.96865 8.512869 18.95002 7.838716 6.018633 
11.57214 
1 1 1 -10 15  29 o 39.98556 4.658484  369.6049       74.04321 338.8497       
115.9721 390.7685       96.20280 37.86883 7.562040 42.10228 5.442559 -4.233452 
9.316968 
1 1 1 -10 15  30 o 21.22707 5.793492  73.63177       75.34515 136.4324       
112.5481 22.62983       101.4260 24.44666 8.694519 18.00747 7.659212 6.439196 
11.58698 
1 1 1 -10 15  31 o 56.61315 3.969281  717.1982       91.87706 736.0835       
148.0857 705.3788       117.1512 56.79502 6.210460 56.43128 4.944791 0.3637428 
7.938563 
1 1 1 -10 15  32 o 54.17193 3.461906  644.2795       77.85519 722.3779       
121.5950 590.0163       101.3556 56.77501 5.101285 51.56884 4.681460 5.206165 
6.923812 
1 1 1 -10 15  33 o 52.32820 4.642948  666.8735       93.43762 597.6423       
162.0477 701.3554       114.3636 48.86698 7.898571 55.78942 4.882665 -6.922436 
9.285895 
1 1 1 -10 15  34 o 39.04932 5.388179  359.2641       85.17518 637.0055       
143.8120 209.1969       105.7103 50.73783 6.751250 27.36080 8.399435 23.37703 
10.77636 
1 1 1 -10 16  1  o 68.44632 3.661696  1022.130       101.5914 835.7844       
156.3707 1158.231       133.6367 62.79861 5.930979 74.09403 4.295995 -11.29542 
7.323393 
1 1 1 -10 16  2  o 91.76740 3.215503  1784.701       117.3367 1755.230       
200.3742 1800.082       144.7513 91.10544 5.238640 92.42934 3.730213 -1.323906 
6.431006 
1 1 1 -10 16  3  o 92.68660 3.124568  1722.503       99.16879 1971.526       
222.8409 1661.007       110.7387 96.52420 5.498950 88.84899 2.968713 7.675209 
6.249136 
1 1 1 -10 16  4  o 166.0390 4.885258  6074.419       277.3316 5486.015       
587.7023 6242.981       314.5573 160.0544 8.746031 172.0236 4.355448 -11.96924 
9.770516 
1 1 1 -10 16  5  o 132.9196 3.929830  3590.525       150.6074 3947.632       
416.1153 3536.693       161.5608 136.1893 7.277662 129.6499 2.968143 6.539383 
7.859659 
1 1 1 -10 16  6  o 158.8027 3.620064  4963.594       141.0246 5799.343       
475.9437 4883.155       147.6554 165.1925 6.862561 152.4129 2.307536 12.77962 
7.240129 
1 1 1 -10 16  7  o 88.18372 2.344329  1619.842       82.97733 1695.615       
141.0752 1579.763       102.6018 89.70834 3.745750 86.65909 2.820084 3.049255 
4.688659 
1 1 1 -10 16  8  o 46.67945 3.200171  417.8222       59.49522 675.4956       
102.1556 285.5614       73.18851 56.58657 4.300014 36.77234 4.740703 19.81423 
6.400342 
1 1 1 -10 16  9  o 137.0069 2.307443  3970.497       128.3910 3876.418       
208.7960 4027.698       162.8096 135.6439 3.666426 138.3699 2.802588 -2.726044 
4.614887 
1 1 1 -10 16  10 o 37.56567 3.613341  291.8811       56.25282 339.8033       
88.67967 259.6143       72.76676 40.08130 5.269913 35.05003 4.944993 5.031261 
7.226682 
1 1 1 -10 16  11 o 55.08358 2.757684  633.5854       63.32763 689.1507       
96.73386 591.9103       83.77504 57.16940 4.030287 52.99776 3.765114 4.171635 
5.515369 
1 1 1 -10 16  12 o 120.2531 2.473821  3034.502       121.2888 3092.474       
197.4310 2999.360       153.7159 121.1259 3.882393 119.3804 3.066952 1.745491 
4.947643 
1 1 1 -10 16  13 o 71.36220 2.507643  1071.710       74.39456 1079.332       
113.6048 1065.986       98.43735 71.56767 3.780950 71.15672 3.295073 0.4109421 
5.015286 
1 1 1 -10 16  14 o 81.22625 2.299628  1389.338       77.56012 1386.101       
118.7321 1391.747       102.4364 81.12650 3.485992 81.32600 3.000170 
-0.1994934     4.599257 
1 1 1 -10 16  15 o 140.0242 2.742152  4132.996       156.0415 4131.606       
254.8853 4133.830       197.3457 139.9332 4.338554 140.1151 3.354778 
-0.1818848     5.484303 
1 1 1 -10 16  16 o 114.1544 2.279771  2747.357       105.2140 2729.287       
173.7722 2757.815       132.2004 113.8120 3.636749 114.4968 2.750177 
-0.6847992     4.559541 
1 1 1 -10 16  17 o 66.02417 2.508831  909.0299       68.18811 965.8293       
109.0072 872.5172       87.39892 67.67966 3.836349 64.36867 3.234094 3.310997 
5.017663 
1 1 1 -10 16  18 o 117.4923 2.610509  2869.770       122.8048 3047.834       
210.5666 2777.984       151.1777 120.1391 4.174708 114.8454 3.135417 5.293701 
5.221017 
1 1 1 -10 16  19 o 116.0925 2.395354  2808.168       112.6527 2968.729       
187.8731 2718.031       140.7659 118.5899 3.773443 113.5951 2.951610 4.994781 
4.790708 
1 1 1 -10 16  20 o 148.0766 2.555530  4544.579       149.1925 4878.191       
264.6532 4389.175       180.6291 151.8460 4.151402 144.3071 2.981406 7.538910 
5.111059 
1 1 1 -10 16  21 o 21.48517 5.092657  83.27139       62.70981 -28.09409      
99.67432 156.2328       80.67789 16.49652 7.295285 26.47382 7.107701 -9.977295 
10.18531 
1 1 1 -10 16  22 o 98.69930 2.354137  2050.413       93.77055 2087.122       
156.4066 2029.814       117.1617 99.29942 3.751712 98.09918 2.844731 1.200233 
4.708273 
1 1 1 -10 16  23 f 132.7085 3.418497  3764.261       185.2021 3717.351       
297.8321 3793.836       236.4837 131.7844 5.383053 133.6326 4.215120 -1.848236 
6.836995 
1 1 1 -10 16  24 o 145.4816 3.226054  4514.649       196.9568 4332.824       
276.0592 4703.157       281.0869 142.4716 4.615249 148.4916 4.508789 -6.019989 
6.452108 
1 1 1 -10 16  25 o 83.67465 3.042395  1494.853       106.8510 1515.420       
153.1947 1475.369       149.1085 84.22500 4.332354 83.12430 4.272631 1.100700 
6.084790 
1 1 1 -10 16  26 o 104.3128 2.675302  2311.907       116.2373 2252.565       
154.1204 2390.189       177.0162 102.8571 3.569004 105.7684 3.986375 -2.911308 
5.350605 
1 1 1 -10 16  27 o 109.6508 2.865273  2571.599       131.5966 2484.660       
178.9859 2673.892       194.1490 107.6917 3.958745 111.6099 4.143367 -3.918221 
5.730546 
1 1 1 -10 16  28 o 99.07365 3.128456  2086.843       127.6044 2303.321       
205.1224 1950.179       162.9798 102.9759 4.744589 95.17141 4.078950 7.804497 
6.256913 
1 1 1 -10 16  29 f 33.85048 5.589341  277.8132       78.13296 246.6511       
113.2177 306.1497       107.9629 31.75725 8.371968 35.94371 7.407635 -4.186457 
11.17868 
1 1 1 -10 16  30 o 38.50840 4.964856  338.1458       76.60449 542.5707       
118.1347 189.8171       100.6290 49.21419 5.717525 27.80260 8.118441 21.41158 
9.929711 
1 1 1 -10 16  31 o 55.32517 3.855772  675.7089       88.56262 833.0079       
134.5281 555.3956       117.6540 61.04413 5.249166 49.60621 5.649263 11.43792 
7.711545 
1 1 1 -10 16  32 o 34.65580 5.860182  316.9885       83.43780 265.7905       
134.9186 348.6964       106.1766 31.33145 9.463411 37.98016 6.914535 -6.648705 
11.72036 
1 1 1 -10 16  33 o 92.97503 3.255528  1884.810       119.6494 2109.540       
211.9898 1779.754       144.9428 96.00836 5.259288 89.94170 3.838457 6.066666 
6.511056 
1 1 1 -10 16  34 o 41.33964 5.034636  407.7082       80.10837 525.7537       
145.1281 355.9808       96.06992 44.18892 8.126896 38.49036 5.945063 5.698555 
10.06927 
1 1 1 -10 17  1  o 155.1174 4.907915  5083.782       319.6219 0.000000       
0.000000 5083.782       319.6219 ?        ?        155.1174 4.907915 ? ? 
1 1 1 -10 17  2  o 108.8284 4.327210  2513.640       197.3907 2344.929       
278.6268 2683.631       279.6815 105.1239 6.313096 112.5328 5.919781 -7.408882 
8.654420 
1 1 1 -10 17  3  f 121.8229 4.124944  3190.185       193.9081 3025.445       
346.9474 3265.020       233.8392 119.2716 6.928633 124.3742 4.478247 -5.102623 
8.249888 
1 1 1 -10 17  4  o 214.3794 6.236922  9480.443       419.6599 10432.11       
1042.600 9296.446       458.4371 219.0954 11.33458 209.6634 5.208086 9.432007 
12.47384 
1 1 1 -10 17  5  o 84.25134 3.137673  1399.926       90.73043 1672.699       
205.1643 1333.610       101.1600 88.89709 5.497122 79.60560 3.026818 9.291489 
6.275347 
1 1 1 -10 17  6  o 135.3492 3.556090  3462.658       138.4868 4464.490       
397.9872 3324.644       147.7183 144.9852 6.538327 125.7132 2.798817 19.27197 
7.112180 
1 1 1 -10 17  7  o 66.58119 2.611688  938.7009       71.30453 911.8497       
112.8875 956.5251       91.97499 65.75702 4.089073 67.40537 3.250097 -1.648354 
5.223375 
1 1 1 -10 17  8  o 47.61496 3.341802  500.7755       62.55341 409.1415       
103.3165 553.8058       78.59650 43.95995 5.598011 51.26997 3.651415 -7.310024 
6.683603 
1 1 1 -10 17  9  o 140.9902 2.845184  4212.404       163.7273 4098.361       
262.6249 4284.907       209.4015 139.3457 4.489142 142.6347 3.496840 -3.289001 
5.690368 
1 1 1 -10 17  10 o 96.82788 2.284824  1897.111       89.14249 2243.207       
153.6507 1721.515       109.4444 103.1984 3.546358 90.45735 2.881846 12.74107 
4.569649 
1 1 1 -10 17  11 o 139.1837 2.308023  4049.640       128.3323 4170.670       
219.5994 3986.868       158.1478 140.6926 3.717756 137.6747 2.736089 3.017990 
4.616047 
1 1 1 -10 17  12 o 47.68933 3.099047  473.5847       61.36608 521.2818       
95.64899 440.2168       80.00169 49.69172 4.584769 45.68695 4.170884 4.004765 
6.198095 
1 1 1 -10 17  13 f 125.6598 2.296522  3250.170       114.5876 3549.594       
201.1770 3106.378       139.4126 129.7957 3.691808 121.5239 2.732509 8.271843 
4.593043 
1 1 1 -10 17  14 o 134.9438 2.914204  3797.438       158.6132 3994.672       
266.9776 3689.845       197.1853 137.5392 4.623486 132.3484 3.548762 5.190720 
5.828408 
1 1 1 -10 17  15 o 166.7301 2.493941  5891.391       170.7629 5683.102       
268.6661 6032.569       221.1891 164.1763 3.897834 169.2839 3.112211 -5.107559 
4.987883 
1 1 1 -10 17  16 o 98.63333 2.329541  2041.753       93.94644 2081.246       
151.7897 2017.231       119.6084 99.36711 3.638487 97.89955 2.910061 1.467560 
4.659081 
1 1 1 -10 17  17 o 174.0984 3.000376  6404.559       209.0867 6396.323       
353.5172 6408.989       259.3021 173.8475 4.843543 174.3494 3.542474 
-0.5019226     6.000752 
1 1 1 -10 17  18 o 79.76778 2.385839  1342.876       78.66647 1334.993       
122.2752 1348.443       102.7558 79.53602 3.661807 79.99954 3.059426 
-0.4635239     4.771679 
1 1 1 -10 17  19 o 136.0633 2.417266  3942.467       135.7912 3691.175       
208.2202 4128.434       179.1233 132.1827 3.752057 139.9439 3.048732 -7.761200 
4.834531 
1 1 1 -10 17  20 o 70.09509 2.700600  1028.006       78.22778 1100.490       
123.6510 979.6339       101.0123 72.09541 4.085178 68.09477 3.533310 4.000633 
5.401200 
1 1 1 -10 17  21 o 21.51476 5.494831  82.16850       62.67624 106.7020       
100.0318 66.31223       80.41904 23.34485 8.207450 19.68467 7.308243 3.660183 
10.98966 
1 1 1 -10 17  22 o 53.11478 3.128919  619.8221       66.47491 524.5216       
107.0069 679.7128       84.82886 49.56088 5.142731 56.66867 3.565510 -7.107792 
6.257839 
1 1 1 -10 17  23 f 56.85686 3.737246  700.5010       86.36743 659.8724       
138.5204 726.3408       110.4692 55.33393 5.962703 58.37980 4.507127 -3.045868 
7.474492 
1 1 1 -10 17  24 o 120.3276 2.689183  3078.380       135.8350 3056.157       
193.1643 3100.119       191.0526 119.8840 3.837837 120.7711 3.768000 
-0.8870773     5.378366 
1 1 1 -10 17  25 o 71.63182 2.918642  1085.455       87.32712 986.4994       
116.6340 1211.702       131.7395 67.96485 4.087537 75.29879 4.167245 -7.333939 
5.837285 
1 1 1 -10 17  26 o 51.66827 4.030695  581.6569       87.25721 568.2173       
119.1295 597.2128       128.1661 51.07476 5.555638 52.26177 5.841310 -1.187004 
8.061390 
1 1 1 -10 17  27 o 49.36517 4.270215  535.3234       87.63506 441.2087       
119.7350 643.9064       128.6097 44.56519 6.399508 54.16516 5.655548 -9.599979 
8.540429 
1 1 1 -10 17  28 o 34.50083 5.322480  285.2288       77.72295 175.8753       
110.9609 390.5614       108.9018 27.17236 8.652187 41.82930 6.201194 -14.65694 
10.64496 
1 1 1 -10 17  29 o 41.58459 4.575776  399.8891       75.80337 374.3528       
118.6255 417.5131       98.54893 39.75744 7.383358 43.41174 5.407117 -3.654305 
9.151551 
1 1 1 -10 17  30 o 68.85674 3.391107  1049.014       97.57595 968.1135       
140.6994 1123.976       135.4375 66.09615 5.070339 71.61732 4.504451 -5.521179 
6.782213 
1 1 1 -10 17  31 o 61.03592 3.621218  837.9548       92.01155 775.0076       
135.4795 891.8473       125.3572 58.60442 5.506355 63.46742 4.704565 -4.863003 
7.242436 
1 1 1 -10 17  32 o 74.90356 3.600528  1249.193       109.5404 1328.327       
181.0046 1203.462       137.5982 76.14182 5.662230 73.66532 4.449084 2.476494 
7.201055 
1 1 1 -10 17  33 f 22.01434 6.172314  93.29280       84.64574 190.5339       
138.0293 34.68154       107.1610 26.01685 9.590859 18.01183 7.772083 8.005024 
12.34463 
1 1 1 -10 17  34 o 19.42627 5.897942  61.95197       84.22086 91.14587       
136.4904 44.00224       107.0250 20.86203 8.879560 17.99052 7.765069 2.871515 
11.79588 
1 1 1 -10 18  1  o 66.80267 3.673092  922.8290       98.65965 1015.491       
168.7957 874.7466       121.5919 69.23162 5.807351 64.37373 4.499011 4.857895 
7.346184 
1 1 1 -10 18  2  o 44.43321 5.319191  432.2489       93.68642 408.0301       
150.1103 447.7021       119.9062 42.92596 8.632871 45.94046 6.216808 -3.014496 
10.63838 
1 1 1 -10 18  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 18  4  o 171.9012 4.262137  6209.410       299.6730 6502.668       
486.4939 6030.100       380.4126 174.9702 6.622688 168.8321 5.366867 6.138092 
8.524275 
1 1 1 -10 18  5  o 95.83514 3.264629  1839.826       107.4741 2114.905       
240.6647 1771.303       120.1167 99.93147 5.736291 91.73880 3.118684 8.192673 
6.529259 
1 1 1 -10 18  6  o 113.6481 3.406273  2684.203       137.3735 2811.309       
287.6095 2646.634       156.3628 115.1777 5.947792 112.1185 3.321828 3.059212 
6.812545 
1 1 1 -10 18  7  o 117.6071 2.616706  2826.250       118.6534 3135.866       
221.0279 2700.900       140.6356 121.9172 4.318205 113.2970 2.956637 8.620171 
5.233412 
1 1 1 -10 18  8  o 126.4244 2.553940  3334.552       123.8391 3446.688       
229.1093 3288.268       147.1947 127.8233 4.269272 125.0254 2.804238 2.797890 
5.107880 
1 1 1 -10 18  9  o 49.34688 2.939861  497.7955       59.83288 650.9340       
93.71753 392.4272       77.73807 55.56437 4.017404 43.12938 4.293204 12.43499 
5.879723 
1 1 1 -10 18  10 o 201.0360 3.140794  8444.871       246.1711 8757.841       
442.5807 8304.670       296.2217 203.5126 5.179911 198.5594 3.553429 4.953186 
6.281587 
1 1 1 -10 18  11 o 95.48196 2.090259  1921.398       81.31087 1905.854       
131.7406 1930.963       103.3434 95.14143 3.298154 95.82250 2.568835 
-0.6810684     4.180519 
1 1 1 -10 18  12 o 123.9704 2.678033  3259.182       138.3695 3031.339       
203.8662 3453.794       188.4140 119.8924 4.050183 128.0483 3.504778 -8.155846 
5.356066 
1 1 1 -10 18  13 o 114.9868 1.963152  2788.930       93.11985 2742.471       
145.3038 2821.309       121.3042 114.1473 3.032023 115.8264 2.494535 -1.679092 
3.926305 
1 1 1 -10 18  14 o 83.83273 2.418306  1486.476       83.78865 1445.898       
129.5398 1515.665       109.8659 82.81713 3.725667 84.84833 3.084188 -2.031197 
4.836612 
1 1 1 -10 18  15 o 123.2984 2.268457  3227.464       115.4963 3051.195       
177.5742 3356.706       152.0524 120.3153 3.515443 126.2815 2.867970 -5.966156 
4.536914 
1 1 1 -10 18  16 o 237.6168 2.704432  11839.08       236.1628 12076.92       
466.5754 11757.15       273.8314 238.9048 4.651768 236.3287 2.759865 2.576050 
5.408863 
1 1 1 -10 18  17 o 115.9285 2.550737  2803.701       118.2488 2942.627       
202.7533 2732.088       145.5696 117.9909 4.092990 113.8661 3.045072 4.124817 
5.101473 
1 1 1 -10 18  18 o 61.71984 2.823588  821.9755       71.19775 722.0655       
110.2539 893.4399       93.24705 58.37613 4.498624 65.06356 3.413645 -6.687435 
5.647175 
1 1 1 -10 18  19 o 170.3237 2.586313  6057.631       165.1869 6298.515       
317.5926 5968.299       193.4065 172.3581 4.388942 168.2894 2.737381 4.068634 
5.172626 
1 1 1 -10 18  20 o 59.12415 2.990992  725.1058       72.80633 822.7445       
117.5175 664.2852       92.75066 62.24422 4.497017 56.00409 3.944740 6.240139 
5.981985 
1 1 1 -10 18  21 o 52.61693 2.947433  580.6348       64.07320 626.1039       
101.4779 550.4901       82.62637 54.26822 4.453968 50.96564 3.861554 3.302570 
5.894865 
1 1 1 -10 18  22 o 44.90997 4.299027  428.1798       78.49907 461.3605       
130.0958 409.1826       98.43848 46.12674 6.717867 43.69320 5.366265 2.433544 
8.598055 
1 1 1 -10 18  23 o 75.00217 3.194529  1172.184       95.94501 1297.368       
165.7385 1109.088       117.6658 77.77443 5.075836 72.22991 3.880201 5.544518 
6.389059 
1 1 1 -10 18  24 o 75.94303 2.792069  1235.323       88.53391 1150.011       
129.1139 1311.035       121.6325 73.38329 4.190799 78.50278 3.690503 -5.119492 
5.584139 
1 1 1 -10 18  25 o 62.16155 3.558090  833.6611       92.61073 819.1428       
126.0048 850.7173       136.5756 61.62973 4.869876 62.69337 5.188867 -1.063637 
7.116181 
1 1 1 -10 18  26 o 49.47515 4.089015  532.1102       84.49258 492.5657       
112.6774 582.9104       127.7107 47.43857 5.657524 51.51174 5.905301 -4.073166 
8.178029 
1 1 1 -10 18  27 o 28.58306 5.816713  180.7725       80.06218 77.71547       
107.9607 306.7061       119.3431 21.32508 8.332573 35.84103 8.118180 -14.51595 
11.63343 
1 1 1 -10 18  28 o 67.33238 3.151463  993.2161       88.01873 919.6597       
131.9138 1052.245       118.1715 64.85946 4.844377 69.80530 4.032231 -4.945839 
6.302926 
1 1 1 -10 18  29 o 29.31498 5.872445  212.9087       77.85538 153.4675       
111.5052 269.4536       108.7546 25.41127 8.688892 33.21868 7.902251 -7.807405 
11.74489 
1 1 1 -10 18  30 o 136.6151 2.875586  4008.307       158.3956 4276.083       
267.0414 3862.959       196.7423 139.4415 4.561501 133.7888 3.502669 5.652710 
5.751172 
1 1 1 -10 18  31 o 55.24434 3.736884  686.8824       86.59309 726.7206       
123.8410 648.7714       121.1264 56.88029 5.185894 53.60839 5.381794 3.271904 
7.473768 
1 1 1 -10 18  32 o 33.12183 6.374806  294.1884       89.94982 323.5435       
140.1777 273.6405       117.2796 34.15672 9.458433 32.08693 8.549309 2.069786 
12.74961 
1 1 1 -10 18  33 o 22.61235 5.820271  125.8071       83.37063 -16.35924      
136.4608 210.4749       105.3098 17.66588 8.091731 27.55883 8.368161 -9.892942 
11.64054 
1 1 1 -10 18  34 o 18.65486 5.790852  44.78306       86.35548 32.79046       
137.7633 52.54527       110.8331 18.84746 8.437105 18.46226 7.934173 0.3851967 
11.58170 
1 1 1 -10 19  1  o 41.62149 5.586387  384.8688       91.45811 351.7679       
151.1693 403.9801       114.8651 39.64276 9.244134 43.60021 6.275098 -3.957451 
11.17277 
1 1 1 -10 19  2  o 101.9264 3.510427  2221.652       145.8926 2087.825       
232.2516 2308.878       187.5036 99.26456 5.572955 104.5882 4.270196 -5.323669 
7.020855 
1 1 1 -10 19  3  o 35.77564 5.814750  282.3668       84.56117 298.6584       
131.9713 271.0190       110.1421 36.59561 8.704570 34.95567 7.712050 1.639935 
11.62950 
1 1 1 -10 19  4  o 128.8727 4.009567  3550.733       196.9485 3441.390       
362.0583 3596.685       234.7125 127.1954 6.779979 130.5500 4.282334 -3.354607 
8.019134 
1 1 1 -10 19  5  o 38.86819 9.827070  338.3875       160.5401 338.3875       
160.5401 0.000000       0.000000 38.86819 9.827070 ?        ?        ? ? 
1 1 1 -10 19  6  o 139.2725 4.575202  3864.757       220.4283 4584.054       
491.7068 3683.845       246.5953 146.4444 7.997505 132.1005 4.446326 14.34386 
9.150405 
1 1 1 -10 19  7  o 105.3512 2.308688  2283.390       97.22690 2509.719       
168.5161 2170.455       119.0378 109.1316 3.678000 101.5707 2.791502 7.560989 
4.617376 
1 1 1 -10 19  8  o 135.0943 2.458585  3832.075       137.2630 3913.463       
214.9136 3776.001       178.3875 136.2628 3.756712 133.9258 3.172644 2.336945 
4.917169 
1 1 1 -10 19  9  o 122.0239 2.767281  3108.665       131.3473 3221.630       
237.1314 3058.667       157.7588 123.5085 4.573126 120.5394 3.117352 2.969154 
5.534561 
1 1 1 -10 19  10 o 59.51994 2.771761  764.4385       67.56660 641.8908       
102.0658 860.0369       90.14742 55.13882 4.409040 63.90105 3.360210 -8.762226 
5.543523 
1 1 1 -10 19  11 o 273.0621 4.826155  15692.19       499.0417 16302.56       
943.1079 15454.82       588.1243 275.8962 8.142106 270.2281 5.183937 5.668060 
9.652310 
1 1 1 -10 19  12 o 108.4187 2.398191  2470.147       106.8795 2507.830       
169.9384 2445.488       137.4724 109.0618 3.711418 107.7755 3.038200 1.286346 
4.796382 
1 1 1 -10 19  13 o 106.6318 2.201909  2335.611       94.60807 2601.494       
161.4789 2196.641       116.7433 111.0972 3.462053 102.1665 2.721728 8.930733 
4.403818 
1 1 1 -10 19  14 o 127.9640 2.655510  3442.486       137.5894 3503.285       
227.7430 3407.540       172.6610 128.7650 4.212775 127.1630 3.234108 1.602036 
5.311019 
1 1 1 -10 19  15 o 39.68533 4.309345  329.1909       65.41498 559.7708       
103.1188 173.9150       84.62116 51.40461 4.778116 27.96606 7.172964 23.43855 
8.618690 
1 1 1 -10 19  16 o 88.65670 2.531032  1639.174       91.99587 1750.455       
149.0005 1570.620       116.9488 91.01234 3.899497 86.30106 3.227756 4.711288 
5.062063 
1 1 1 -10 19  17 o 127.8392 2.271108  3471.069       121.0532 3158.165       
176.3158 3750.090       166.4962 122.3067 3.433698 133.3717 2.973457 -11.06504 
4.542216 
1 1 1 -10 19  18 o 75.71471 2.592647  1207.583       81.56973 1242.842       
125.3931 1181.718       107.3998 76.63409 3.897380 74.79533 3.420189 1.838753 
5.185293 
1 1 1 -10 19  19 o 73.26460 2.602407  1116.949       78.69183 1235.337       
125.5636 1040.375       100.9836 76.37063 3.916143 70.15856 3.428398 6.212067 
5.204814 
1 1 1 -10 19  20 o 197.7242 3.152554  8345.438       249.8093 8198.899       
419.1950 8426.134       311.0798 195.9884 5.094561 199.4601 3.714813 -3.471634 
6.305108 
1 1 1 -10 19  21 o 64.31147 3.399096  914.0626       88.27554 729.9438       
135.6727 1049.232       116.2473 58.32018 5.541081 70.30276 3.938507 -11.98257 
6.798192 
1 1 1 -10 19  22 o 128.1301 3.597959  3478.616       181.9696 3643.769       
319.7932 3399.537       221.2876 129.9107 5.863343 126.3494 4.171623 3.561333 
7.195918 
1 1 1 -10 19  23 o 42.60803 4.548501  369.1886       78.11840 501.1642       
135.8027 303.9224       95.50060 47.82359 6.763748 37.39248 6.083352 10.43111 
9.097003 
1 1 1 -10 19  24 f 65.34985 3.040730  908.1311       82.88597 972.9958       
126.0552 858.7262       110.0126 67.34082 4.458652 63.35888 4.135767 3.981937 
6.081459 
1 1 1 -10 19  25 o 64.05331 3.336669  865.7068       87.58999 636.2589       
115.5954 1175.063       134.2233 54.16706 5.083072 73.93956 4.323865 -19.77250 
6.673337 
1 1 1 -10 19  26 o 49.27238 4.185304  535.8176       86.57059 526.1838       
122.0030 545.5875       122.8601 48.81226 5.953368 49.73251 5.884256 
-0.9202538     8.370607 
1 1 1 -10 19  27 o 42.76159 4.471620  427.2222       74.73885 537.8358       
103.0451 304.4424       108.5641 49.61159 4.947264 35.91158 7.450243 13.70001 
8.943240 
1 1 1 -10 19  28 o 45.09104 4.379665  458.3594       82.63290 415.0068       
116.1578 502.7772       117.5763 42.79271 6.465462 47.38937 5.909624 -4.596657 
8.759330 
1 1 1 -10 19  29 f 105.4046 3.148039  2435.382       139.0713 2333.014       
199.4437 2532.260       194.0214 103.0915 4.608064 107.7177 4.290262 -4.626152 
6.296078 
1 1 1 -10 19  30 o 69.64006 3.371759  1075.116       98.34996 1063.107       
143.4962 1085.754       135.0623 69.13621 4.943745 70.14391 4.586329 -1.007698 
6.743517 
1 1 1 -10 19  31 o 24.58881 5.539310  128.3343       74.26225 262.0225       
109.8064 15.64538       100.8142 31.92490 8.160680 17.25272 7.492606 14.67218 
11.07862 
1 1 1 -10 19  32 o 19.98572 5.922666  65.19733       84.52562 25.58125       
130.5683 93.77715       110.9000 18.99032 8.380104 20.98112 8.371721 -1.990797 
11.84533 
1 1 1 -10 19  33 o 23.32148 6.214588  113.9073       88.71732 268.0508       
140.6033 11.94278       114.3556 29.41693 9.756963 17.22604 7.699746 12.19089 
12.42918 
1 1 1 -10 20  1  o 73.64826 3.456090  1150.512       104.9194 1144.813       
164.5500 1154.416       136.1960 73.42650 5.337846 73.87003 4.391542 
-0.4435272     6.912180 
1 1 1 -10 20  2  o 173.5700 5.461610  6528.491       374.4431 6284.251       
643.0151 6653.808       460.5941 170.4036 8.988008 176.7365 6.207451 -6.332870 
10.92322 
1 1 1 -10 20  3  o 42.43394 5.571797  398.9543       93.05215 373.7198       
153.2689 413.6852       117.1038 40.79773 9.171757 44.07014 6.329185 -3.272408 
11.14359 
1 1 1 -10 20  4  o 131.2066 4.468591  3698.187       238.2538 3525.063       
383.9351 3806.607       303.8327 128.4405 7.119947 133.9727 5.401812 -5.532135 
8.937181 
1 1 1 -10 20  5  o 126.0285 3.571291  3398.249       175.3778 3268.358       
309.5350 3459.660       212.8363 124.0245 5.944610 128.0325 3.959557 -4.008003 
7.142582 
1 1 1 -10 20  6  o 157.8649 4.915582  5274.431       325.7914 0.000000       
0.000000 5274.431       325.7914 ?        ?        157.8649 4.915582 ? ? 
1 1 1 -10 20  7  o 154.5242 7.230021  5101.259       469.0455 5101.259       
469.0455 0.000000       0.000000 154.5242 7.230021 ?        ?        ? ? 
1 1 1 -10 20  8  o 84.75873 2.736405  1513.268       97.28014 1427.370       
134.7203 1606.853       140.6190 82.24612 3.901563 87.27133 3.837899 -5.025215 
5.472811 
1 1 1 -10 20  9  o 105.8632 2.277983  2332.928       96.63763 2454.530       
165.0631 2269.510       119.2024 107.8837 3.644310 103.8427 2.734198 4.040985 
4.555967 
1 1 1 -10 20  10 o 146.5231 2.832302  4542.310       168.8165 4493.636       
274.3109 4571.983       214.1800 145.7839 4.481823 147.2623 3.464245 -1.478378 
5.664603 
1 1 1 -10 20  11 o 159.9778 2.577399  5407.666       169.0907 5359.082       
269.0548 5439.381       217.3849 159.2964 4.023054 160.6592 3.222885 -1.362793 
5.154799 
1 1 1 -10 20  12 o 114.8860 2.385422  2734.873       111.8716 2984.586       
184.1344 2588.768       140.8469 118.9208 3.688061 110.8512 3.026411 8.069588 
4.770845 
1 1 1 -10 20  13 o 82.21228 2.216103  1388.432       75.23752 1627.293       
120.4253 1235.505       96.35795 87.85016 3.265098 76.57441 2.997264 11.27575 
4.432206 
1 1 1 -10 20  14 o 122.4715 2.553437  3127.926       124.9510 3293.525       
214.7739 3043.199       153.6258 124.7887 4.099466 120.1543 3.045411 4.634430 
5.106873 
1 1 1 -10 20  15 o 214.5353 3.660783  9740.826       309.8893 9922.355       
541.8041 9652.570       377.7836 215.5505 5.987070 213.5202 4.214298 2.030304 
7.321565 
1 1 1 -10 20  16 o 79.28017 2.376061  1266.488       74.76508 1512.654       
133.5381 1154.092       90.23335 84.57587 3.760796 73.98445 2.905010 10.59142 
4.752123 
1 1 1 -10 20  17 o 138.5036 2.963522  4000.930       162.9568 4268.020       
284.5866 3870.636       198.7693 141.6820 4.784328 135.3253 3.498578 6.356705 
5.927043 
1 1 1 -10 20  18 o 84.72055 2.477704  1507.150       85.69737 1563.998       
139.5598 1472.740       108.5790 85.92483 3.868678 83.51628 3.096675 2.408546 
4.955408 
1 1 1 -10 20  19 o 68.45940 2.879898  1020.164       80.35128 861.2941       
123.3455 1137.285       105.9056 63.60281 4.619214 73.31600 3.440656 -9.713192 
5.759796 
1 1 1 -10 20  20 o 123.7913 2.954671  3146.241       141.2181 3545.887       
263.0377 2984.402       167.3870 128.8431 4.862703 118.7395 3.357744 10.10363 
5.909342 
1 1 1 -10 20  21 o 117.0435 2.967248  2947.721       140.1474 2805.985       
229.5380 3031.962       176.9609 114.5269 4.773842 119.5600 3.525432 -5.033104 
5.934496 
1 1 1 -10 20  22 o 108.9237 3.064000  2426.386       125.8710 2787.033       
244.8737 2296.876       146.7411 113.8043 5.125126 104.0430 3.359386 9.761261 
6.128001 
1 1 1 -10 20  23 o 77.87814 3.083383  1267.947       94.76933 1393.149       
168.4059 1209.922       114.6452 80.37653 4.990557 75.37976 3.622615 4.996765 
6.166766 
1 1 1 -10 20  24 o 121.6287 2.988644  3183.996       152.0362 3036.273       
221.4661 3315.670       209.0906 118.8154 4.439719 124.4419 4.002109 -5.626465 
5.977289 
1 1 1 -10 20  25 o 89.49354 2.903495  1721.982       109.0553 1674.154       
154.3804 1769.620       154.0751 88.22099 4.168130 90.76608 4.043244 -2.545090 
5.806990 
1 1 1 -10 20  26 o 48.23355 4.296528  518.4981       86.03564 614.8550       
123.5026 427.6476       119.9219 52.81456 5.569850 43.65254 6.543499 9.162014 
8.593057 
1 1 1 -10 20  27 o 54.44550 3.419733  649.5237       77.96497 660.5511       
107.0976 637.0908       113.7182 55.02809 4.635711 53.86290 5.028766 1.165195 
6.839467 
1 1 1 -10 20  28 o 23.05796 5.980275  110.4137       78.86478 164.9294       
110.1203 53.01089       112.9986 26.08343 8.634768 20.03249 8.276202 6.050938 
11.96055 
1 1 1 -10 20  29 o 54.85784 3.403840  665.7277       78.34283 659.6774       
112.4997 671.4244       109.1626 54.55862 4.911442 55.15705 4.714047 
-0.5984268     6.807680 
1 1 1 -10 20  30 o 42.86761 5.119386  465.9109       84.61529 251.1195       
120.7041 673.4558       118.6505 30.95978 8.843776 54.77544 5.159466 -23.81566 
10.23877 
1 1 1 -10 20  31 o 62.23022 3.034823  857.9709       79.20549 856.0459       
114.5305 859.7357       109.6554 62.08480 4.393969 62.37564 4.187320 
-0.2908363     6.069646 
1 1 1 -10 20  32 o 21.60923 6.045169  104.4910       86.45186 25.13980       
133.4741 161.8395       113.4701 18.83021 8.370247 24.38824 8.724405 -5.558031 
12.09034 
1 1 1 -10 20  33 o 24.04384 6.438731  167.1747       90.09209 143.5064       
140.6427 183.6450       117.3232 22.99541 9.324327 25.09226 8.881776 -2.096848 
12.87746 
1 1 1 -10 21  1  o 83.41413 3.693384  1506.218       125.4536 1366.754       
198.0631 1599.658       162.1218 79.97523 5.898873 86.85303 4.446083 -6.877792 
7.386769 
1 1 1 -10 21  2  o 39.08261 5.765485  312.0709       93.27817 519.1266       
151.6454 186.0486       118.3067 49.08084 7.359331 29.08437 8.877134 19.99647 
11.53097 
1 1 1 -10 21  3  o 28.20790 5.723934  112.1819       88.15105 350.8875       
137.3956 -54.82080      114.9220 39.49049 8.529327 16.92531 7.635724 22.56518 
11.44787 
1 1 1 -10 21  4  o 140.4613 3.832864  4198.031       224.4315 4186.639       
337.6856 4207.043       300.3697 140.1791 5.737866 140.7436 5.083332 
-0.5645294     7.665727 
1 1 1 -10 21  5  o 43.20927 5.081789  400.1213       86.20038 431.1215       
145.9322 383.5085       106.8290 44.01176 8.203315 42.40677 6.000331 1.604996 
10.16358 
1 1 1 -10 21  6  o 148.4812 4.561966  4644.838       259.2722 4876.236       
482.2253 4550.746       307.4994 150.5191 7.630964 146.4432 5.001452 4.075912 
9.123932 
1 1 1 -10 21  7  o 49.84777 5.540580  597.2687       100.6288 406.6269       
170.9393 698.3716       124.4844 42.34671 9.801054 57.34884 5.170247 -15.00213 
11.08116 
1 1 1 -10 21  8  o 206.3286 8.012468  9185.277       694.0724 0.000000       
0.000000 9185.277       694.0724 ?        ?        206.3286 8.012468 ? ? 
1 1 1 -10 21  9  o 213.4922 5.041781  9713.281       439.5055 10075.99       
714.7604 9492.765       557.3196 216.1607 7.875983 210.8237 6.296597 5.336990 
10.08356 
1 1 1 -10 21  10 o 116.3042 2.513650  2851.017       121.9583 2896.271       
183.7373 2815.376       163.0585 117.0931 3.737550 115.5153 3.362212 1.577843 
5.027301 
1 1 1 -10 21  11 o 47.00023 3.382569  462.6152       65.73996 502.5952       
103.9311 435.9509       84.87692 48.63834 5.089652 45.36212 4.456740 3.276215 
6.765138 
1 1 1 -10 21  12 o 140.1806 2.321515  4133.831       128.9401 4185.314       
223.4507 4108.131       157.8765 140.7134 3.782398 139.6478 2.692802 1.065628 
4.643029 
1 1 1 -10 21  13 o 82.09613 2.476662  1379.475       83.78976 1662.896       
135.2767 1203.057       106.7278 88.70606 3.632375 75.48620 3.367682 13.21986 
4.953325 
1 1 1 -10 21  14 o 71.37596 2.613174  1081.330       77.12037 1053.025       
119.0677 1101.786       101.2219 70.52036 4.021616 72.23158 3.337863 -1.711220 
5.226349 
1 1 1 -10 21  15 o 81.17193 2.516943  1396.910       84.40176 1370.673       
130.9641 1415.548       110.3819 80.46443 3.876764 81.87943 3.211030 -1.414993 
5.033886 
1 1 1 -10 21  16 o 51.47478 3.188219  564.1682       68.11551 555.2943       
104.0219 570.8294       90.12543 51.07042 4.851504 51.87914 4.137858 
-0.8087273     6.376438 
1 1 1 -10 21  17 o 67.66940 2.634513  980.2554       73.35847 912.4818       
113.4477 1028.957       96.16933 65.57022 4.121070 69.76858 3.283204 -4.198357 
5.269027 
1 1 1 -10 21  18 o 66.23717 2.561780  929.2979       71.12178 933.4293       
103.7036 925.6291       97.72520 66.35920 3.722320 66.11514 3.520681 0.2440643 
5.123560 
1 1 1 -10 21  19 o 77.88469 2.786036  1297.809       88.05801 1251.956       
142.8847 1325.890       111.8166 76.64217 4.440573 79.12720 3.365904 -2.485031 
5.572073 
1 1 1 -10 21  20 o 44.40178 4.288429  450.8498       73.25766 363.0634       
117.6994 506.3645       93.59746 40.13152 7.251360 48.67205 4.580422 -8.540535 
8.576858 
1 1 1 -10 21  21 o 79.38682 2.889976  1376.476       91.59814 1232.842       
150.7950 1460.462       115.3092 75.80696 4.738043 82.96667 3.310408 -7.159714 
5.779953 
1 1 1 -10 21  22 o 16.15654 4.787184  -16.43222      63.62176 -179.0544      
109.1494 67.25211       78.29855 12.96102 6.304176 19.35205 7.205962 -6.391028 
9.574368 
1 1 1 -10 21  23 o 91.40878 3.183430  1781.717       116.3124 1852.768       
198.8655 1744.774       143.3972 92.44906 5.123632 90.36851 3.779590 2.080551 
6.366860 
1 1 1 -10 21  24 o 45.35463 4.258852  460.8502       79.47788 405.5881       
119.9453 504.1053       106.1180 42.63024 6.701726 48.07901 5.257199 -5.448776 
8.517703 
1 1 1 -10 21  25 o 44.54649 4.289477  436.6084       79.83472 493.2691       
119.8254 391.3796       107.0571 47.12428 6.056550 41.96870 6.075909 5.155582 
8.578955 
1 1 1 -10 21  26 o 78.48489 3.071439  1337.759       101.0900 1283.695       
144.1911 1390.020       141.7653 76.84924 4.469099 80.12054 4.214512 -3.271294 
6.142879 
1 1 1 -10 21  27 o 30.59313 5.427037  234.1385       72.98398 313.3236       
99.28868 141.0601       107.6471 36.58179 6.715647 24.60446 8.527076 11.97734 
10.85407 
1 1 1 -10 21  28 o 57.55882 3.882964  745.7684       93.14066 655.5948       
132.8213 833.0140       130.6472 53.85646 5.874229 61.26117 5.079673 -7.404705 
7.765929 
1 1 1 -10 21  29 o 29.41551 5.608774  217.9302       70.87005 209.6743       
103.2463 225.2860       97.45504 28.76502 8.167298 30.06599 7.689515 -1.300974 
11.21755 
1 1 1 -10 21  30 o 39.78544 5.107397  392.3779       81.75019 323.5189       
121.1281 449.9816       110.7872 35.43994 8.281739 44.13095 5.979533 -8.691010 
10.21479 
1 1 1 -10 21  31 o 41.32570 5.186663  427.1827       87.40990 411.4929       
128.9763 440.5107       118.8733 39.85924 7.989069 42.79217 6.616696 -2.932930 
10.37333 
1 1 1 -10 21  32 o 43.73125 5.602529  521.0678       95.87238 433.9538       
151.7615 578.9223       123.6763 38.42302 9.458785 49.03950 6.007054 -10.61648 
11.20506 
1 1 1 -10 22  1  o 64.02266 3.786762  890.9095       98.60482 808.7027       
156.1089 945.4795       127.1892 61.36427 6.059451 66.68105 4.543272 -5.316780 
7.573524 
1 1 1 -10 22  2  o 38.79035 5.940166  359.8827       92.98331 245.7359       
152.9883 426.7480       117.0919 33.01453 10.09844 44.56617 6.258103 -11.55164 
11.88033 
1 1 1 -10 22  3  f 56.26742 4.466595  683.9857       101.9458 663.4782       
165.6859 696.4796       129.3243 55.41246 7.121953 57.12238 5.392559 -1.709923 
8.933190 
1 1 1 -10 22  4  o 130.3478 4.307738  3660.834       207.8803 3596.851       
401.1373 3684.327       243.0658 128.9264 7.410922 131.7691 4.393708 -2.842712 
8.615477 
1 1 1 -10 22  5  o 95.04099 3.652977  1981.568       136.0271 1753.298       
231.7810 2101.495       168.0019 90.46829 6.102425 99.61368 4.017135 -9.145386 
7.305954 
1 1 1 -10 22  6  o 37.70618 5.562697  324.6627       82.93330 278.4727       
139.3146 350.0159       103.2141 34.98220 9.316613 40.43016 6.080718 -5.447960 
11.12539 
1 1 1 -10 22  7  o 57.06470 4.358237  707.7214       96.55151 669.7192       
170.5074 725.6583       117.1420 55.69181 7.292439 58.43759 4.774646 -2.745781 
8.716475 
1 1 1 -10 22  8  o 100.5572 2.665315  2139.211       111.5049 2136.291       
169.3650 2141.446       148.1411 100.4449 4.016213 100.6694 3.505090 
-0.2244415     5.330630 
1 1 1 -10 22  9  o 16.92647 5.034535  -43.38536      71.62433 -197.4338      
108.7730 74.53928       95.16887 12.71246 6.204939 21.14049 7.929999 -8.428031 
10.06907 
1 1 1 -10 22  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 22  11 o 47.96204 4.193349  492.7930       84.06189 434.9973       
117.5554 553.2721       120.2534 45.03581 6.217355 50.88827 5.628607 -5.852455 
8.386699 
1 1 1 -10 22  12 o 55.41323 3.039758  663.3661       69.16296 581.0479       
105.3568 725.7056       91.68460 52.26437 4.801514 58.56210 3.729073 -6.297729 
6.079516 
1 1 1 -10 22  13 o 73.81998 2.644222  1160.589       80.42394 1114.842       
125.0962 1192.818       104.9985 72.50858 4.109375 75.13138 3.328764 -2.622795 
5.288443 
1 1 1 -10 22  14 o 92.13894 2.428899  1757.335       91.21779 1950.520       
151.1868 1646.759       114.3825 95.97069 3.752290 88.30719 3.085209 7.663498 
4.857797 
1 1 1 -10 22  15 o 92.36780 2.327058  1809.241       88.77585 1773.077       
137.8144 1834.892       116.0647 91.51440 3.586956 93.22119 2.965558 -1.706787 
4.654116 
1 1 1 -10 22  16 o 79.53914 2.284740  1345.145       75.56731 1279.043       
113.3831 1397.972       101.3612 77.72572 3.474599 81.35256 2.967710 -3.626839 
4.569479 
1 1 1 -10 22  17 f 65.52304 2.743734  915.9058       74.75225 877.4183       
112.4369 946.3933       100.0716 64.22585 4.169845 66.82024 3.567169 -2.594398 
5.487468 
1 1 1 -10 22  18 o 70.46913 2.916908  1072.128       81.44160 1010.534       
138.3460 1104.792       100.7485 68.72473 4.794846 72.21352 3.323081 -3.488792 
5.833817 
1 1 1 -10 22  19 o 75.50121 3.219092  1165.190       99.16137 1458.363       
165.9771 1002.464       123.6559 82.47972 4.793163 68.52268 4.298349 13.95704 
6.438184 
1 1 1 -10 22  20 o 106.5988 2.832335  2404.716       121.3101 2493.411       
205.1075 2356.998       150.4445 107.8577 4.529512 105.3400 3.401764 2.517677 
5.664670 
1 1 1 -10 22  21 o 59.64727 3.534041  764.3297       85.37585 782.9520       
141.1960 753.5969       107.1912 60.00367 5.604872 59.29087 4.306180 0.7127991 
7.068082 
1 1 1 -10 22  22 o 60.33099 3.665726  756.8406       90.33368 939.5768       
150.6031 654.1518       112.8973 65.66837 5.462592 54.99361 4.889814 10.67476 
7.331453 
1 1 1 -10 22  23 f 68.77005 2.894114  996.8301       81.15567 1097.648       
134.0876 938.5490       101.9492 71.30319 4.479202 66.23691 3.666105 5.066284 
5.788228 
1 1 1 -10 22  24 o 104.1656 2.982078  2344.017       129.2596 2324.744       
195.6514 2358.944       172.1894 103.5884 4.498760 104.7427 3.915648 -1.154282 
5.964155 
1 1 1 -10 22  25 o 78.25245 2.819787  1323.307       92.48841 1255.838       
131.9577 1388.457       129.6691 76.21498 4.123970 80.28992 3.846772 -4.074936 
5.639573 
1 1 1 -10 22  26 f 51.78918 4.020950  594.1050       87.09343 660.6349       
129.8837 539.7513       117.3980 54.40348 5.686550 49.17489 5.686413 5.228588 
8.041900 
1 1 1 -10 22  27 o 69.44836 2.992731  1048.871       87.03567 949.9677       
119.9718 1158.758       126.4583 65.93886 4.333698 72.95787 4.128538 -7.019012 
5.985463 
1 1 1 -10 22  28 o 25.07302 6.015485  153.8586       75.55445 167.6212       
110.1236 141.6189       103.8522 25.91635 8.634895 24.22968 8.377518 1.686665 
12.03097 
1 1 1 -10 22  29 o 68.39951 3.143235  1034.903       90.04794 1026.210       
131.5345 1042.570       123.5356 68.00064 4.607312 68.79837 4.276960 
-0.7977295     6.286470 
1 1 1 -10 22  30 o 17.94643 5.429213  24.87174       73.52728 73.50338       
109.8086 -14.65453      98.99648 20.09414 8.207426 15.79872 7.109399 4.295420 
10.85843 
1 1 1 -10 22  31 o 43.90486 4.764720  472.1131       87.59378 513.8846       
129.5602 436.9443       118.8804 45.66546 6.757791 42.14426 6.718817 3.521202 
9.529441 
1 1 1 -10 22  32 o 31.88929 8.182947  385.3376       144.6566 338.2389       
234.5709 414.2414       183.7587 29.26129 11.98103 34.51730 11.14888 -5.256008 
16.36589 
1 1 1 -10 23  1  o 67.53172 3.679333  1000.296       100.6303 879.1921       
159.2151 1080.855       129.8562 63.83479 5.940840 71.22865 4.342393 -7.393864 
7.358665 
1 1 1 -10 23  2  o 55.88797 4.067612  677.5447       91.92728 649.2970       
149.9717 694.5458       116.3474 54.75445 6.523953 57.02148 4.860031 -2.267033 
8.135224 
1 1 1 -10 23  3  o 27.13503 5.902851  159.7038       83.09729 30.47516       
129.1205 251.0675       108.5682 21.05104 8.780944 33.21902 7.891109 -12.16798 
11.80570 
1 1 1 -10 23  4  f 108.9162 3.782234  2526.325       167.2326 2589.759       
275.2634 2489.213       210.5430 109.7342 5.974859 108.0981 4.639205 1.636040 
7.564467 
1 1 1 -10 23  5  o 47.84857 4.814927  483.5351       92.79439 538.0220       
158.2663 454.9919       114.5495 49.67874 7.588202 46.01839 5.929019 3.660347 
9.629853 
1 1 1 -10 23  6  o 95.88345 3.500706  1868.852       126.7644 2174.909       
246.7924 1759.164       147.7439 100.6680 5.839306 91.09886 3.862937 9.569176 
7.001412 
1 1 1 -10 23  7  o 25.39457 6.300332  128.3944       88.11333 14.34560       
152.5238 185.5232       107.9493 22.02883 9.381718 28.76031 8.411901 -6.731474 
12.60066 
1 1 1 -10 23  8  o 77.19422 3.375524  1210.132       102.8705 1443.928       
185.6693 1106.573       123.5709 82.17062 5.382010 72.21782 4.075612 9.952805 
6.751047 
1 1 1 -10 23  9  o 79.14318 3.005604  1321.110       99.44479 1430.039       
149.2755 1234.194       133.3419 82.03780 4.334066 76.24857 4.165392 5.789230 
6.011208 
1 1 1 -10 23  10 o 73.46480 3.171616  1150.641       97.45567 1111.796       
142.6806 1184.612       133.4302 72.25192 4.703667 74.67768 4.255832 -2.425758 
6.343232 
1 1 1 -10 23  11 o 43.16588 4.404887  399.8577       79.63579 440.4342       
116.2897 364.0251       109.2808 45.23909 6.122778 41.09266 6.334329 4.146431 
8.809774 
1 1 1 -10 23  12 o 56.66051 5.305085  687.0552       126.1978 687.0552       
126.1978 0.000000       0.000000 56.66051 5.305085 ?        ?        ? ? 
1 1 1 -10 23  13 o 61.92565 3.504001  827.4407       90.01254 750.1581       
133.9526 891.0684       121.5440 59.16342 5.392858 64.68788 4.475398 -5.524460 
7.008003 
1 1 1 -10 23  14 o 42.65752 3.704559  399.9968       64.49130 329.5257       
97.45274 454.9056       86.02203 39.10450 5.935925 46.21054 4.433939 -7.106045 
7.409117 
1 1 1 -10 23  15 o 106.0908 2.520719  2405.630       110.5314 2268.049       
169.1784 2508.096       146.0003 103.3180 3.900228 108.8636 3.194420 -5.545593 
5.041438 
1 1 1 -10 23  16 o 43.34424 3.559309  401.4321       63.82629 411.6688       
99.58558 394.2955       83.14953 43.73753 5.423295 42.95095 4.611137 0.7865791 
7.118618 
1 1 1 -10 23  17 o 27.57223 5.559554  163.5732       64.63280 210.4980       
112.3643 140.3705       79.01247 30.20139 8.502760 24.94308 7.165029 5.258308 
11.11911 
1 1 1 -10 23  18 f 77.96036 3.125851  1307.955       101.0418 1251.157       
153.5337 1351.348       134.1993 76.32823 4.791148 79.59249 4.016052 -3.264259 
6.251702 
1 1 1 -10 23  19 o 92.62101 2.771998  1850.091       106.2927 1694.433       
160.0469 1972.928       142.1762 88.94902 4.285754 96.29300 3.516844 -7.343979 
5.543995 
1 1 1 -10 23  20 o 42.93324 4.679724  383.4295       79.71739 552.1048       
134.5289 292.1501       98.96376 50.06263 6.400633 35.80386 6.828702 14.25877 
9.359448 
1 1 1 -10 23  21 o 21.99811 5.529011  91.08979       72.79019 -36.23621      
122.4225 160.7187       90.53109 17.67488 7.931783 26.32133 7.704976 -8.646446 
11.05802 
1 1 1 -10 23  22 o 54.31135 3.522894  658.0842       75.77839 586.5192       
126.2825 698.3542       94.72926 51.59288 5.830078 57.02982 3.956427 -5.436943 
7.045788 
1 1 1 -10 23  23 o 62.98543 3.540106  892.8860       89.53422 755.3873       
142.2204 983.1579       115.2361 58.42674 5.797905 67.54412 4.063704 -9.117382 
7.080212 
1 1 1 -10 23  24 o 73.96490 3.144511  1189.921       97.34814 1171.478       
142.6438 1206.000       133.1846 73.32029 4.633934 74.60952 4.251877 -1.289230 
6.289022 
1 1 1 -10 23  25 o 26.82113 5.589258  164.4560       69.93375 250.4281       
106.2528 98.74721       92.89097 32.03803 7.931489 21.60422 7.877225 10.43381 
11.17852 
1 1 1 -10 23  26 f 72.70519 3.259244  1163.657       99.17538 1088.128       
142.3592 1234.880       138.2417 70.25269 4.826626 75.15769 4.381137 -4.904999 
6.518487 
1 1 1 -10 23  27 o 14.35453 4.751543  -117.6953      77.01539 -252.8168      
114.0234 -4.334887      104.4390 11.79672 5.868125 16.91233 7.474874 -5.115617 
9.503085 
1 1 1 -10 23  28 o 66.65357 3.512971  1003.637       96.54505 803.9340       
137.2070 1199.476       135.8734 59.56572 5.486571 73.74142 4.388782 -14.17570 
7.025942 
1 1 1 -10 23  29 o 27.13506 5.516305  185.6461       79.87318 27.96798       
118.0899 318.6106       108.4414 18.64305 8.103004 35.62706 7.487310 -16.98401 
11.03261 
1 1 1 -10 23  30 o 52.34506 4.246445  650.7341       92.86497 634.9971       
136.7718 664.1943       126.4916 51.41735 6.335893 53.27277 5.655586 -1.855427 
8.492890 
1 1 1 -10 23  31 o 38.61483 5.598714  402.5470       87.62101 374.9991       
126.3338 428.0815       121.6297 36.78674 8.366484 40.44292 7.442067 -3.656178 
11.19743 
1 1 1 -10 24  1  o 77.03175 3.665001  1280.324       111.9693 1276.790       
192.4640 1282.132       137.6635 76.61153 5.983792 77.45197 4.233576 
-0.8404312     7.330002 
1 1 1 -10 24  2  o 61.39230 3.946559  826.7491       96.63523 773.3674       
161.2729 856.6519       120.7040 59.52408 6.453415 63.26053 4.544748 -3.736446 
7.893118 
1 1 1 -10 24  3  o 34.51247 5.929385  277.7527       84.30545 260.5857       
131.6729 289.6793       109.7506 33.41045 9.130070 35.61449 7.567843 -2.204037 
11.85877 
1 1 1 -10 24  4  o 90.63049 3.611716  1763.302       133.1243 1763.777       
216.7681 1763.014       168.6819 90.38777 5.712244 90.87321 4.421338 
-0.4854355     7.223431 
1 1 1 -10 24  5  o 79.37619 3.480006  1356.564       112.5178 1319.196       
181.1553 1380.034       143.5687 78.27995 5.512156 80.47243 4.249459 -2.192482 
6.960012 
1 1 1 -10 24  6  o 29.20258 6.270670  191.5567       82.15445 200.4812       
131.6851 185.8698       105.1203 29.80717 9.418962 28.59798 8.280602 1.209196 
12.54134 
1 1 1 -10 24  7  o 127.9467 3.507065  3511.099       178.4623 3483.934       
304.8741 3525.260       220.1143 127.1635 5.710567 128.7300 4.072767 -1.566536 
7.014129 
1 1 1 -10 24  8  o 60.97279 3.912705  790.9454       92.15485 821.9330       
168.1609 777.6448       110.1714 61.53652 6.508985 60.40907 4.343980 1.127445 
7.825410 
1 1 1 -10 24  9  o 85.64023 2.946183  1559.033       105.6281 1403.130       
146.6114 1727.299       152.3131 81.15493 4.303024 90.12553 4.025414 -8.970596 
5.892366 
1 1 1 -10 24  10 o 57.18666 3.507524  703.3036       83.81572 651.6783       
121.3580 750.3875       115.8971 55.10488 5.245651 59.26844 4.657687 -4.163563 
7.015048 
1 1 1 -10 24  11 o 59.03693 3.546146  742.6987       87.62656 825.0480       
129.1982 672.5491       119.2447 62.06409 4.958351 56.00977 5.071031 6.054325 
7.092291 
1 1 1 -10 24  12 o 21.76252 5.778025  73.15718       73.08262 128.0117       
109.5651 29.18866       98.09278 24.83634 8.603159 18.68869 7.715436 6.147642 
11.55605 
1 1 1 -10 24  13 o 44.16848 5.628139  421.0286       104.3653 0.000000       
0.000000 421.0286       104.3653 ?        ?        44.16848 5.628139 ? ? 
1 1 1 -10 24  14 o 25.26544 8.752528  134.0543       113.4047 134.0543       
113.4047 0.000000       0.000000 25.26544 8.752528 ?        ?        ? ? 
1 1 1 -10 24  15 o 40.37514 4.627473  368.0608       74.83681 314.1743       
112.0020 411.5227       100.5864 37.11422 7.450369 43.63606 5.490539 -6.521843 
9.254946 
1 1 1 -10 24  16 o 25.76598 5.384287  148.9370       59.23419 149.5815       
107.2766 148.6543       71.04669 25.97246 8.522548 25.55950 6.582430 0.4129601 
10.76857 
1 1 1 -10 24  17 o 23.65892 6.128212  108.7910       80.76785 72.61959       
119.2545 139.4426       109.7789 21.99917 8.711596 25.31867 8.621369 -3.319496 
12.25642 
1 1 1 -10 24  18 f 82.19248 2.884356  1439.716       96.01622 1472.283       
158.8373 1420.963       120.5311 82.71420 4.573971 81.67076 3.515229 1.043442 
5.768713 
1 1 1 -10 24  19 o 65.18213 3.458764  893.7763       93.30434 1097.322       
147.3542 757.5473       120.5498 71.18755 4.930370 59.17671 4.852178 12.01085 
6.917527 
1 1 1 -10 24  20 o 38.64476 5.087020  330.7154       76.86704 402.3759       
130.0520 292.2411       95.29337 41.53603 7.746141 35.75349 6.596090 5.782543 
10.17404 
1 1 1 -10 24  21 o 44.37313 4.415517  436.3637       79.28507 444.3338       
130.8859 431.7439       99.64824 44.35797 7.028169 44.38829 5.347149 
-0.3032684E-01 8.831034 
1 1 1 -10 24  22 o 32.20235 5.659509  209.9917       78.50308 421.8693       
136.1311 104.4252       96.08991 42.13540 7.985171 22.26932 8.022293 19.86608 
11.31902 
1 1 1 -10 24  23 o 70.97646 3.330535  1033.471       95.50358 1360.812       
164.9076 868.2767       117.1489 78.75079 4.987776 63.20212 4.414968 15.54866 
6.661070 
1 1 1 -10 24  24 o 43.10332 4.175545  421.5927       74.31645 383.7144       
112.1650 451.2325       99.22013 41.05851 6.506918 45.14814 5.234570 -4.089634 
8.351090 
1 1 1 -10 24  25 o 59.33839 3.666343  786.4841       90.74407 725.6083       
132.2314 840.6725       124.7574 56.92917 5.532494 61.74760 4.812463 -4.818428 
7.332686 
1 1 1 -10 24  26 o 71.98004 2.811879  1117.505       84.05606 910.0013       
113.4933 1369.615       125.0987 64.50549 4.190778 79.45459 3.750205 -14.94910 
5.623758 
1 1 1 -10 24  27 o 97.18377 3.292849  2101.705       133.7111 2008.824       
195.8649 2182.771       182.9837 94.86557 4.917779 99.50197 4.380280 -4.636398 
6.585698 
1 1 1 -10 24  28 o 58.10986 3.796277  770.6042       91.60077 754.8261       
138.9680 782.7263       121.8077 57.21702 5.785095 59.00270 4.917269 -1.785679 
7.592553 
1 1 1 -10 24  29 o 43.42353 4.100019  440.6123       74.65464 468.8687       
108.5808 415.2795       102.8105 44.75599 5.778607 42.09107 5.817933 2.664917 
8.200039 
1 1 1 -10 24  30 o 32.98041 5.863239  311.2073       85.19497 205.0672       
123.9532 406.2436       117.2904 26.38497 9.149564 39.57585 7.334561 -13.19088 
11.72648 
1 1 1 -10 25  1  o 71.17506 3.719086  1120.912       104.4082 1038.685       
177.5470 1164.378       129.0875 68.69195 6.156425 73.65819 4.174306 -4.966240 
7.438171 
1 1 1 -10 25  2  o 47.65437 4.555040  483.6075       85.89059 553.1904       
152.7807 451.4537       103.8563 49.74277 7.315763 45.56598 5.428920 4.176792 
9.110080 
1 1 1 -10 25  3  o 22.78376 6.320845  53.94854       89.78886 164.1233       
145.7841 -13.38789      113.9710 27.63798 9.888750 17.92954 7.875593 9.708443 
12.64169 
1 1 1 -10 25  4  o 41.58704 5.156451  381.0993       87.28320 442.9812       
137.4538 339.2873       112.9862 44.61837 7.337767 38.55570 7.246593 6.062672 
10.31290 
1 1 1 -10 25  5  o 155.7945 5.181819  5467.279       305.4392 5186.303       
560.5725 5585.918       364.2597 150.9628 8.844694 160.6262 5.401516 -9.663406 
10.36364 
1 1 1 -10 25  6  o 76.20704 3.761565  1299.580       114.5316 1081.861       
183.2264 1439.204       146.7303 70.38812 6.200257 82.02596 4.260786 -11.63783 
7.523130 
1 1 1 -10 25  7  o 49.69885 4.237111  514.4332       86.00306 641.7990       
143.4579 442.9760       107.4535 54.19852 6.304608 45.19918 5.662539 8.999344 
8.474221 
1 1 1 -10 25  8  o 57.13741 4.437508  740.5391       97.72572 634.6506       
169.1204 793.6201       119.7406 53.46406 7.534513 60.81077 4.690099 -7.346706 
8.875016 
1 1 1 -10 25  9  o 68.87450 3.895422  1064.163       104.9305 910.8290       
177.0304 1147.208       130.2830 64.48695 6.538785 73.26204 4.235745 -8.775093 
7.790843 
1 1 1 -10 25  10 o 47.33245 4.136342  490.5800       81.25159 455.3215       
121.6408 518.9852       109.1806 45.64249 6.347912 49.02241 5.304836 -3.379913 
8.272683 
1 1 1 -10 25  11 o 74.60576 3.053215  1190.146       95.59502 1158.387       
132.9351 1224.156       137.5674 73.58064 4.303257 75.63089 4.332488 -2.050255 
6.106429 
1 1 1 -10 25  12 o 97.71450 3.134419  2047.340       128.4986 2009.608       
184.0414 2083.231       179.4928 96.79162 4.528963 98.63738 4.334376 -1.845764 
6.268837 
1 1 1 -10 25  13 o 52.80956 3.764394  596.0396       82.85773 704.2465       
124.7886 510.7170       110.8100 57.07673 5.207589 48.54237 5.437248 8.534359 
7.528788 
1 1 1 -10 25  14 o 44.45512 4.683492  455.4855       81.77334 359.2105       
124.0765 529.4143       108.7275 39.46027 7.766127 49.44997 5.237144 -9.989700 
9.366984 
1 1 1 -10 25  15 o 69.95784 4.192049  1048.956       123.1237 0.000000       
0.000000 1048.956       123.1237 ?        ?        69.95784 4.192049 ? ? 
1 1 1 -10 25  16 o 17.98212 5.521441  -35.30055      78.72984 67.00819       
126.4167 -100.1234      100.6265 22.00646 8.874352 13.95777 6.571995 8.048686 
11.04288 
1 1 1 -10 25  17 o 102.9700 3.328845  2293.844       143.6989 2235.949       
207.1395 2347.556       199.5167 101.6222 4.855066 104.3177 4.555563 -2.695503 
6.657689 
1 1 1 -10 25  18 o 57.64341 3.910164  729.7360       93.96452 709.8047       
140.1811 745.9982       126.6226 56.76898 5.881655 58.51784 5.153996 -1.748856 
7.820329 
1 1 1 -10 25  19 o 76.12222 3.252129  1277.552       101.6903 1116.694       
154.1908 1401.374       135.2811 71.51292 5.135646 80.73154 3.991305 -9.218620 
6.504259 
1 1 1 -10 25  20 o 54.84868 3.649535  674.2285       79.20586 608.0482       
132.5930 710.9469       98.76379 52.28362 6.040544 57.41375 4.097349 -5.130131 
7.299071 
1 1 1 -10 25  21 o 67.46507 3.307884  961.5318       91.10122 1123.976       
151.3864 869.3060       114.0672 71.59454 5.036491 63.33559 4.289772 8.258949 
6.615768 
1 1 1 -10 25  22 o 27.65593 5.566872  179.7215       66.67480 218.0936       
106.2791 154.8177       85.61961 29.83223 8.224889 25.47964 7.504095 4.352591 
11.13374 
1 1 1 -10 25  23 o 115.2200 3.239588  2855.879       146.6874 3054.702       
260.7147 2763.787       177.4363 117.3051 5.293823 113.1348 3.735660 4.170349 
6.479176 
1 1 1 -10 25  24 o 38.55450 5.146520  355.9723       80.83421 325.5283       
119.5994 381.5746       109.6776 36.29425 8.060940 40.81475 6.400618 -4.520500 
10.29304 
1 1 1 -10 25  25 o 40.93661 4.305908  384.1389       73.74937 352.5059       
104.7405 415.2421       103.8598 39.09605 6.381206 42.77717 5.783044 -3.681122 
8.611816 
1 1 1 -10 25  26 f 59.45539 3.736538  800.5209       92.68667 745.4854       
135.3205 849.1588       127.2124 57.24461 5.630540 61.66617 4.913643 -4.421562 
7.473076 
1 1 1 -10 25  27 o 36.98730 5.489054  348.6650       82.47396 310.9687       
120.3851 382.0055       113.2163 34.51311 8.380232 39.46149 7.091583 -4.948387 
10.97811 
1 1 1 -10 25  28 o 35.96241 5.103571  325.6105       75.53864 370.6213       
105.8094 278.8242       107.8761 39.35981 6.403131 32.56500 7.948940 6.794807 
10.20714 
1 1 1 -10 25  29 o 31.15291 5.913848  262.2369       79.67133 352.1090       
122.9601 197.2018       104.5985 35.79782 8.330358 26.50800 8.396400 9.289824 
11.82770 
1 1 1 -10 25  30 o 24.46502 7.123479  173.5317       131.6796 -34.33697      
240.6318 262.3871       157.3260 20.68515 9.888804 28.24488 10.25609 -7.559729 
14.24696 
1 1 1 -10 26  1  o 28.80123 6.545942  199.0419       88.42027 195.4086       
144.0166 201.2400       112.0183 28.68567 9.870467 28.91679 8.600657 
-0.2311230     13.09188 
1 1 1 -10 26  2  o 69.11635 3.773645  1052.458       106.4749 1015.576       
169.7604 1076.375       136.7075 67.75426 5.967889 70.47844 4.620161 -2.724182 
7.547290 
1 1 1 -10 26  3  o 21.08316 5.725870  62.19733       79.54068 -57.69992      
126.8372 139.9106       102.1151 17.28075 7.874214 24.88556 8.314991 -7.604807 
11.45174 
1 1 1 -10 26  4  o 25.28718 5.903839  139.8336       80.51788 33.35967       
124.0412 217.3667       105.8493 20.30705 8.545664 30.26732 8.148182 -9.960268 
11.80768 
1 1 1 -10 26  5  o 105.8599 3.542754  2410.284       152.1210 2515.640       
251.7228 2349.671       190.9288 107.2427 5.590825 104.4771 4.352828 2.765602 
7.085508 
1 1 1 -10 26  6  o 94.40137 3.876918  1942.142       145.6460 1949.880       
248.7655 1938.107       179.6568 93.96875 6.305620 94.83398 4.512330 
-0.8652267     7.753836 
1 1 1 -10 26  7  o 68.94473 3.575372  1041.735       100.4973 979.1652       
159.6555 1082.796       129.3351 66.92298 5.682373 70.96649 4.340942 -4.043510 
7.150744 
1 1 1 -10 26  8  o 51.20632 4.470129  555.9830       91.06792 649.8307       
160.8590 511.7160       110.4774 53.93790 7.103501 48.47474 5.428490 5.463165 
8.940259 
1 1 1 -10 26  9  o 20.62349 5.978306  41.16953       79.83002 87.98927       
133.6852 15.22146       99.52254 23.33458 9.228929 17.91239 7.601806 5.422182 
11.95661 
1 1 1 -10 26  10 o 15.80047 5.079685  -53.31707      74.34540 -80.83916      
105.4310 -26.09647      104.8519 14.93369 6.946474 16.66726 7.413455 -1.733568 
10.15937 
1 1 1 -10 26  11 o 30.98107 5.613942  234.3275       76.23139 145.8176       
116.7079 300.1897       100.6752 25.73210 8.882461 36.23003 6.867842 -10.49793 
11.22788 
1 1 1 -10 26  12 o 71.72940 3.072806  1093.279       91.04161 1179.892       
144.2713 1035.964       117.3600 73.93754 4.647677 69.52126 4.020901 4.416275 
6.145612 
1 1 1 -10 26  13 o 30.76418 5.651283  217.6194       74.88090 296.0078       
112.5468 155.3589       100.3028 35.54721 7.756030 25.98114 8.221435 9.566078 
11.30257 
1 1 1 -10 26  14 o 61.48318 3.738004  827.3543       95.38692 801.1765       
144.7919 847.4271       126.7886 60.43111 5.706959 62.53526 4.829214 -2.104145 
7.476008 
1 1 1 -10 26  15 o 37.66601 5.827761  338.0488       89.35863 325.0280       
132.6058 348.8799       120.9424 36.74135 8.716697 38.59066 7.737597 -1.849316 
11.65552 
1 1 1 -10 26  16 o 42.26059 5.180755  410.8891       89.28877 401.1308       
132.9220 418.9129       120.5321 41.25974 7.957455 43.26145 6.636249 -2.001709 
10.36151 
1 1 1 -10 26  17 f 88.54006 7.467400  1790.850       277.5800 0.000000       
0.000000 1790.850       277.5800 ?        ?        88.54006 7.467400 ? ? 
1 1 1 -10 26  18 o 28.84319 6.208279  202.0554       89.49435 89.08590       
135.1823 290.1994       119.4086 23.06118 9.227623 34.62520 8.307940 -11.56402 
12.41656 
1 1 1 -10 26  19 o 81.56837 3.345624  1457.977       113.9023 1379.812       
167.3502 1525.437       155.4695 79.32432 5.025056 83.81242 4.418328 -4.488106 
6.691248 
1 1 1 -10 26  20 o 19.51406 5.468637  45.92754       74.59058 -85.58228      
125.8436 117.1529       92.61246 16.19167 7.553837 22.83645 7.909712 -6.644779 
10.93727 
1 1 1 -10 26  21 o 36.01259 5.477083  306.2607       77.94411 344.0504       
129.9162 285.0086       97.42621 37.28778 8.486912 34.73740 6.925756 2.550388 
10.95417 
1 1 1 -10 26  22 o 21.69182 5.926507  93.18321       76.78831 50.60112       
130.3813 115.7975       95.01528 20.76752 8.751425 22.61612 7.994154 -1.848606 
11.85301 
1 1 1 -10 26  23 o 53.61969 3.648320  641.3976       81.78350 631.9172       
120.6426 649.4589       111.2466 53.09673 5.411953 54.14265 4.894050 -1.045925 
7.296640 
1 1 1 -10 26  24 o 33.89721 5.119855  270.5411       72.60790 388.1710       
110.3277 180.6703       96.43501 40.94712 6.417739 26.84730 7.978992 14.09983 
10.23971 
1 1 1 -10 26  25 o 23.71460 6.100185  134.9598       79.52682 107.8536       
115.9060 159.0726       109.3187 22.30634 8.650584 25.12287 8.603281 -2.816528 
12.20037 
1 1 1 -10 26  26 o 58.41794 3.818684  785.5042       92.63887 706.9319       
136.0162 853.4893       126.5209 55.24833 5.863981 61.58756 4.893169 -6.339233 
7.637367 
1 1 1 -10 26  27 o 20.63386 5.504807  78.79424       72.16224 171.9426       
102.9526 -11.16756      101.1763 25.33805 8.349019 15.92967 7.176734 9.408379 
11.00961 
1 1 1 -10 26  28 o 16.03193 5.151863  -12.84829      75.90379 -40.04755      
117.2298 6.785475       99.60039 15.82423 7.346880 16.23964 7.224274 
-0.4154110     10.30373 
1 1 1 -10 26  29 o 19.36827 5.707448  61.11456       77.54517 135.1117       
120.8138 9.270456       101.1251 22.43532 8.804761 16.30122 7.264711 6.134102 
11.41490 
1 1 1 -10 27  1  o 18.31153 5.697155  -1.611359      84.52164 -58.05888      
142.1811 29.23855       105.1105 18.05606 8.265909 18.56701 7.842515 
-0.5109463     11.39431 
1 1 1 -10 27  2  o 81.17621 3.643126  1432.285       115.2637 1501.698       
206.8808 1401.039       138.8031 81.89655 6.016939 80.45587 4.109248 1.440681 
7.286252 
1 1 1 -10 27  3  o 57.48821 4.288166  749.3852       96.42471 705.1983       
166.6449 771.6252       118.2263 55.51202 7.150331 59.46441 4.735632 -3.952389 
8.576331 
1 1 1 -10 27  4  o 24.67253 5.970433  141.1489       81.15523 10.16592       
147.4537 198.0672       97.20171 20.60909 9.005884 28.73596 7.840812 -8.126869 
11.94087 
1 1 1 -10 27  5  o 23.32560 5.908502  88.54728       76.49350 204.6737       
123.9731 17.15833       97.20251 29.02514 9.133910 17.62607 7.497550 11.39907 
11.81700 
1 1 1 -10 27  6  o 60.78055 4.004322  783.3011       99.26910 954.9320       
166.0535 687.8514       123.8333 65.55419 6.033490 56.00691 5.266438 9.547279 
8.008643 
1 1 1 -10 27  7  o 20.04316 5.955590  29.85540       84.94079 71.95754       
128.7800 -2.565720      113.0082 22.06688 8.932862 18.01944 7.879098 4.047443 
11.91118 
1 1 1 -10 27  8  o 62.78224 4.483936  918.2836       108.8574 759.9117       
184.3082 1003.127       134.9008 57.61236 7.619913 67.95212 4.728600 -10.33976 
8.967873 
1 1 1 -10 27  9  o 20.68226 5.921585  33.07741       80.71273 130.5244       
131.4264 -25.93007      102.2708 25.03599 9.333226 16.32854 7.290511 8.707451 
11.84317 
1 1 1 -10 27  10 f 90.53630 3.406822  1781.371       125.0957 1787.299       
205.0170 1777.855       157.8955 90.24463 5.411150 90.82796 4.140676 
-0.5833359     6.813644 
1 1 1 -10 27  11 o 75.41999 3.197676  1215.840       100.1065 1339.605       
156.2119 1129.595       130.4019 78.51879 4.738728 72.32119 4.294764 6.197601 
6.395352 
1 1 1 -10 27  12 o 47.56898 4.129384  499.4014       82.34282 523.6307       
120.5948 478.2384       112.7058 48.61850 5.908101 46.51947 5.770753 2.099037 
8.258767 
1 1 1 -10 27  13 o 54.70142 4.000672  648.7526       89.58838 714.0233       
146.2752 609.5713       113.3316 56.61769 6.153747 52.78516 5.113993 3.832531 
8.001345 
1 1 1 -10 27  14 o 84.35821 3.779774  1567.602       132.4171 1541.098       
201.3697 1587.795       175.7634 83.43016 5.748998 85.28625 4.908746 -1.856094 
7.559547 
1 1 1 -10 27  15 o 67.08054 3.732037  992.9351       104.6680 934.9785       
151.8755 1045.363       144.4495 65.04127 5.561856 69.11981 4.977766 -4.078545 
7.464074 
1 1 1 -10 27  16 o 49.87260 4.467002  561.0682       92.87509 537.7315       
137.6936 580.5478       125.8010 48.69217 6.735593 51.05305 5.869261 -2.360882 
8.934005 
1 1 1 -10 27  17 o 51.91331 4.426226  607.9598       95.77074 594.6509       
143.1026 618.7563       128.8902 51.16492 6.661870 52.66170 5.829699 -1.496773 
8.852451 
1 1 1 -10 27  18 f 69.88451 3.588605  1037.486       103.3677 1326.424       
165.4566 852.5206       132.3816 77.57279 5.080375 62.19622 5.069728 15.37657 
7.177211 
1 1 1 -10 27  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 27  20 o 43.70630 5.236852  453.0407       93.48569 448.4276       
138.3017 456.9217       126.8560 42.91908 7.973732 44.49351 6.791028 -1.574425 
10.47370 
1 1 1 -10 27  21 o 40.24706 5.112959  381.7381       80.54810 397.0303       
135.7604 373.4306       100.0630 39.88689 8.373765 40.60723 5.869368 
-0.7203369     10.22592 
1 1 1 -10 27  22 o 34.77629 5.631522  316.1107       80.92175 229.4048       
133.4333 366.5524       101.7736 29.51761 9.496984 40.03497 6.055036 -10.51736 
11.26304 
1 1 1 -10 27  23 o 57.74182 3.749179  742.5357       90.35897 848.0619       
136.5378 660.3053       120.5282 61.35046 5.300978 54.13317 5.303300 7.217293 
7.498357 
1 1 1 -10 27  24 o 18.02138 5.515907  15.78033       77.83833 62.42410       
112.8417 -26.56120      107.5117 19.91644 8.251882 16.12632 7.321706 3.790117 
11.03181 
1 1 1 -10 27  25 o 60.52465 3.613913  845.5496       89.93237 706.3751       
132.3447 964.9498       122.5827 55.25354 5.705155 65.79577 4.437643 -10.54223 
7.227826 
1 1 1 -10 27  26 o 30.30446 6.084902  252.4070       82.43484 314.0487       
120.1032 197.5020       113.3506 33.96487 8.447356 26.64405 8.760496 7.320818 
12.16980 
1 1 1 -10 27  27 o 21.04183 5.449628  100.7822       72.24203 -9.382813      
110.3864 183.3145       95.54458 16.29311 7.403150 25.79054 7.999197 -9.497431 
10.89926 
1 1 1 -10 28  1  o 51.09473 5.236776  645.8964       102.1185 519.5859       
163.8605 726.1048       130.5763 45.30366 8.933237 56.88580 5.467411 -11.58214 
10.47355 
1 1 1 -10 28  2  o 41.71040 5.091737  411.6093       83.72049 409.1888       
136.8612 413.0567       105.8312 40.66972 8.302738 42.75108 5.896412 -2.081356 
10.18347 
1 1 1 -10 28  3  o 47.47150 4.911474  527.7399       89.59963 517.8899       
153.1185 532.8691       110.4921 46.03925 8.217592 48.90374 5.381587 -2.864491 
9.822948 
1 1 1 -10 28  4  o 20.90051 5.983498  69.42239       81.54064 42.09459       
129.4903 87.37888       104.9652 20.46497 8.677383 21.33604 8.240874 
-0.8710670     11.96700 
1 1 1 -10 28  5  o 17.66384 5.534592  -14.55394      83.12328 -135.7349      
148.9102 40.29773       100.1849 16.60002 7.885435 18.72766 7.768318 -2.127644 
11.06918 
1 1 1 -10 28  6  o 22.69807 5.987445  95.29359       84.08382 -8.960495      
128.1149 174.1824       111.4451 18.60593 8.244019 26.79021 8.685284 -8.184282 
11.97489 
1 1 1 -10 28  7  o 34.50646 6.261268  298.4959       90.30314 286.7507       
142.3070 306.4137       116.8415 33.49698 9.613651 35.51593 8.024437 -2.018951 
12.52254 
1 1 1 -10 28  8  o 39.58421 5.979120  413.7728       95.23193 262.3020       
157.7404 500.6454       119.4592 31.91353 10.33164 47.25488 6.021353 -15.34135 
11.95824 
1 1 1 -10 28  9  o 24.67217 6.362252  132.4644       82.60475 145.2992       
141.3139 125.8024       101.8103 25.71379 9.659653 23.63055 8.282760 2.083233 
12.72450 
1 1 1 -10 28  10 f 28.26153 6.333311  137.2889       84.44355 357.3960       
158.6796 50.32771       99.73945 37.26562 9.951404 19.25744 7.836636 18.00818 
12.66662 
1 1 1 -10 28  11 o 33.19864 5.530694  264.4415       77.60876 363.4277       
113.5650 177.7067       106.3051 39.31705 7.143533 27.08023 8.445369 12.23681 
11.06139 
1 1 1 -10 28  12 o 72.93570 3.840357  1178.570       108.6640 1177.879       
194.0789 1178.885       131.1476 72.16912 6.405424 73.70228 4.238387 -1.533157 
7.680715 
1 1 1 -10 28  13 o 79.36658 3.743735  1355.989       121.1115 1550.078       
201.3705 1245.995       151.5938 83.32815 5.756057 75.40502 4.788530 7.923126 
7.487471 
1 1 1 -10 28  14 o 38.00202 5.779039  353.1425       89.55833 324.6653       
128.0636 380.4001       125.2911 36.21339 8.549932 39.79065 7.777392 -3.577259 
11.55808 
1 1 1 -10 28  15 o 32.66974 6.009518  266.7994       89.75465 138.9866       
127.2199 393.4627       126.6465 24.88279 9.201221 40.45668 7.732706 -15.57389 
12.01904 
1 1 1 -10 28  16 o 57.28184 4.222984  740.5789       100.9958 729.8481       
150.0215 749.4733       136.5819 56.67614 6.304843 57.88754 5.619905 -1.211407 
8.445969 
1 1 1 -10 28  17 o 68.55818 3.836426  1048.717       110.3990 1019.104       
154.5811 1079.545       157.7217 67.55187 5.450548 69.56448 5.400387 -2.012611 
7.672852 
1 1 1 -10 28  18 o 37.88777 5.807128  344.4242       89.36960 461.3453       
139.5892 263.2082       116.3392 43.47182 7.943435 32.30372 8.473063 11.16809 
11.61426 
1 1 1 -10 28  19 o 30.82231 6.005693  250.2344       87.70620 124.5472       
132.7916 347.4895       116.8102 23.93702 9.264177 37.70759 7.645157 -13.77057 
12.01139 
1 1 1 -10 28  20 o 25.01117 6.288220  152.5890       81.51621 141.1867       
138.0255 158.6962       101.0148 24.73241 9.474847 25.28993 8.270073 
-0.5575180     12.57644 
1 1 1 -10 28  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 28  22 o 18.18304 5.670003  -20.07773      88.99412 82.34283       
127.8889 -116.2374      123.9184 21.45752 8.826303 14.90856 7.119841 6.548961 
11.34001 
1 1 1 -10 28  23 o 33.62249 5.796244  293.9153       81.01342 302.2658       
119.1890 286.7443       110.4500 33.90905 8.403976 33.33593 7.984921 0.5731239 
11.59249 
1 1 1 -10 28  24 o 19.67847 5.627407  56.80880       78.45587 -33.85374      
114.4375 137.2134       107.7692 16.12609 7.396307 23.23085 8.483246 -7.104761 
11.25481 
1 1 1 -10 28  25 o 65.85318 3.631085  1002.294       100.1767 922.8058       
140.1470 1085.336       143.2462 62.98664 5.299765 68.71972 4.965039 -5.733082 
7.262171 
1 1 1 -10 28  26 o 43.02599 4.688529  460.5052       84.62012 479.1433       
119.6786 441.8719       119.6632 44.05714 6.470253 41.99485 6.787125 2.062298 
9.377059 
1 1 1 -10 29  1  o 21.91355 6.494079  79.86502       95.20476 84.64389       
171.7238 77.74433       114.3950 23.10088 9.900037 20.72621 8.407228 2.374668 
12.98816 
1 1 1 -10 29  2  o 46.09184 4.776602  485.2823       90.23991 567.1616       
147.9686 436.7956       113.8659 48.73827 7.231368 43.44541 6.242678 5.292862 
9.553205 
1 1 1 -10 29  3  o 69.85726 3.978054  1100.257       110.6603 1125.282       
188.9321 1087.188       136.5305 69.63108 6.462843 70.08344 4.640184 
-0.4523621     7.956108 
1 1 1 -10 29  4  o 39.29262 5.964603  398.7323       94.91631 331.1220       
152.3650 441.6093       121.3362 34.99749 9.916768 43.58774 6.630511 -8.590248 
11.92921 
1 1 1 -10 29  5  o 16.63663 5.423370  -58.30696      88.10207 -40.10536      
127.7186 -74.83083      121.6902 17.33735 7.900411 15.93591 7.432044 1.401442 
10.84674 
1 1 1 -10 29  6  f 57.98078 4.218503  769.6876       100.0524 731.4344       
157.4151 795.6160       129.5979 56.21143 6.670259 59.75012 5.166308 -3.538689 
8.437007 
1 1 1 -10 29  7  o 75.97443 3.835894  1296.090       119.9026 1270.801       
187.6810 1313.529       155.8552 74.84258 5.973002 77.10629 4.814516 -2.263702 
7.671787 
1 1 1 -10 29  8  o 25.14231 6.072330  141.9417       87.95939 9.033174       
134.2194 241.9897       116.4510 19.39205 8.532137 30.89258 8.642650 -11.50052 
12.14466 
1 1 1 -10 29  9  o 84.25168 3.759165  1550.714       121.5361 1665.472       
225.0930 1503.492       144.3928 85.43193 6.275710 83.07142 4.140139 2.360512 
7.518330 
1 1 1 -10 29  10 o 56.66878 4.235746  735.3698       93.86347 701.0847       
162.6082 752.5023       114.9476 54.85926 7.060142 58.47830 4.681942 -3.619041 
8.471493 
1 1 1 -10 29  11 o 20.19846 6.323820  14.51925       92.98244 26.97219       
188.7573 10.52924       106.8452 22.65484 10.02634 17.74207 7.709423 4.912769 
12.64764 
1 1 1 -10 29  12 o 21.99256 6.149430  78.36070       91.60902 -36.87696      
145.1391 154.6716       118.1083 18.62411 8.469379 25.36101 8.918048 -6.736902 
12.29886 
1 1 1 -10 29  13 o 24.37006 6.265862  129.2628       89.30944 36.89487       
132.4340 206.3071       120.9509 20.26380 8.689438 28.47631 9.029825 -8.212515 
12.53172 
1 1 1 -10 29  14 o 44.19420 5.313278  466.8527       96.20020 422.7765       
134.1844 513.4650       137.9907 41.49748 7.986971 46.89092 7.009421 -5.393440 
10.62656 
1 1 1 -10 29  15 o 27.46759 6.627329  166.2627       99.85231 312.9898       
150.3218 50.39707       133.5809 34.17493 9.904333 20.76024 8.808528 13.41469 
13.25466 
1 1 1 -10 29  16 o 41.30122 5.971991  423.0732       102.2174 275.6772       
138.6729 598.4421       151.2603 32.22316 9.566369 50.37928 7.151452 -18.15612 
11.94398 
1 1 1 -10 29  17 o 48.41534 4.783499  549.1031       96.81099 534.3300       
142.0795 561.9066       132.2691 47.54056 7.118497 49.29012 6.391747 -1.749557 
9.566998 
1 1 1 -10 29  18 o 23.71063 5.955813  83.08513       85.22221 263.9091       
133.5744 -41.05279      110.6745 31.41176 9.401800 16.00950 7.313890 15.40225 
11.91163 
1 1 1 -10 29  19 o 21.73583 6.030265  96.22578       82.79180 33.86410       
135.0591 133.7665       104.7892 19.94162 8.666509 23.53004 8.387371 -3.588411 
12.06053 
1 1 1 -10 29  20 o 25.82140 6.329693  151.1882       85.21257 267.8021       
138.2250 79.70180       108.2239 31.13365 9.614301 20.50916 8.235611 10.62449 
12.65939 
1 1 1 -10 29  21 o 32.65099 6.287972  289.5457       87.96880 279.4260       
138.5785 296.3758       113.8487 31.53659 9.604054 33.76540 8.118898 -2.228817 
12.57594 
1 1 1 -10 29  22 o 21.59739 6.147250  100.2770       84.97044 112.2295       
128.6816 91.03651       113.1448 22.30774 8.970999 20.88705 8.406898 1.420687 
12.29450 
1 1 1 -10 29  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -10 29  24 o 53.81416 4.881394  695.5121       101.7554 1049.938       
159.8922 454.2599       131.9169 66.37823 5.737501 41.25008 7.898932 25.12814 
9.762789 
1 1 1 -10 29  25 o 43.07018 5.131293  443.6048       85.91166 812.9730       
140.6927 223.9880       108.4862 58.23473 5.754538 27.90563 8.497409 30.32910 
10.26259 
1 1 1 -10 30  1  o 68.62902 4.879343  1172.806       123.3166 1105.090       
230.6896 1199.897       145.9138 64.59860 8.506010 72.65944 4.783277 -8.060837 
9.758685 
1 1 1 -10 30  2  o 31.04421 6.390874  230.4585       91.43217 439.8717       
155.9745 120.8243       112.8560 39.67266 9.480093 22.41575 8.573269 17.25691 
12.78175 
1 1 1 -10 30  3  o 48.44172 5.435275  621.8414       99.12135 418.7274       
153.6174 766.7310       129.7446 38.95363 9.471540 57.92981 5.334676 -18.97618 
10.87055 
1 1 1 -10 30  4  o 12.71766 4.444920  -223.8745      86.52637 -389.4504      
152.0498 -144.5751      105.2259 12.62828 6.354509 12.80705 6.216868 
-0.1787720     8.889839 
1 1 1 -10 30  5  o 38.88227 6.038964  364.1350       101.2300 626.3672       
162.1008 196.4884       129.6103 50.59964 7.630599 27.16489 9.362173 23.43476 
12.07793 
1 1 1 -10 30  6  o 24.22134 6.481247  141.0446       91.93396 89.63531       
150.6726 171.5353       116.0371 22.59311 9.458776 25.84958 8.863284 -3.256475 
12.96249 
1 1 1 -10 30  7  o 61.20167 4.561927  890.4688       113.0926 787.0530       
177.1878 961.5594       146.9084 57.19556 7.378918 65.20778 5.366216 -8.012222 
9.123854 
1 1 1 -10 30  8  o 66.15814 3.835252  984.1138       103.6881 1017.203       
167.5811 963.5886       131.9857 66.51937 6.000646 65.79691 4.777958 0.7224579 
7.670504 
1 1 1 -10 30  9  f 24.06701 6.375764  138.5495       87.60063 69.41713       
160.9438 167.6520       104.4238 22.37476 9.586406 25.75927 8.408464 -3.384504 
12.75153 
1 1 1 -10 30  10 o 19.34076 6.015978  21.29097       90.97760 -17.89668      
162.0019 39.34299       109.9533 19.78507 8.984122 18.89645 8.003344 0.8886261 
12.03196 
1 1 1 -10 30  11 o 33.59780 7.203334  262.1292       104.2703 482.8397       
196.9660 176.1926       122.9048 40.91841 11.15989 26.27719 9.110921 14.64123 
14.40667 
1 1 1 -10 30  12 o 18.37214 5.853971  -64.86201      98.36696 83.54384       
151.4795 -173.0749      129.3504 22.53581 9.461720 14.20846 6.895779 8.327355 
11.70794 
1 1 1 -10 30  13 o 27.53375 6.582799  195.9742       91.63670 151.3011       
127.2286 244.1309       132.0962 24.89641 9.202480 30.17108 9.415271 -5.274673 
13.16560 
1 1 1 -10 30  14 o 85.04690 3.543595  1621.566       126.0932 1602.677       
185.2766 1637.864       172.0973 84.34408 5.232231 85.74972 4.780380 -1.405640 
7.087191 
1 1 1 -10 30  15 f 22.01737 6.181592  87.84892       90.55236 5.871588       
132.5707 159.5474       123.9811 18.82802 8.358740 25.20672 9.109323 -6.378704 
12.36318 
1 1 1 -10 30  16 o 31.95047 5.950780  275.1006       93.42780 96.95824       
137.4710 428.0046       127.3611 22.37884 9.168985 41.52209 7.587940 -19.14326 
11.90156 
1 1 1 -10 30  17 o 17.53035 5.567759  -46.46285      87.91470 73.58548       
134.3656 -136.3265      116.2524 21.21455 8.909299 13.84614 6.680129 7.368405 
11.13552 
1 1 1 -10 30  18 o 31.19973 6.667515  267.7798       92.19098 282.0974       
156.6793 260.1977       114.0179 31.09491 10.29965 31.30455 8.469954 
-0.2096329     13.33503 
1 1 1 -10 30  19 f 24.17535 6.240139  109.2062       86.22483 277.5334       
144.0836 15.29010       107.6236 30.93820 9.860165 17.41249 7.650782 13.52571 
12.48028 
1 1 1 -10 30  20 o 30.59939 6.466874  257.4722       87.53851 314.3901       
142.0377 222.6120       111.1589 32.79288 9.667589 28.40590 8.591831 4.386982 
12.93375 
1 1 1 -10 30  21 o 19.93649 5.989051  69.46078       85.31715 77.32410       
139.8325 64.79754       107.6836 20.74863 8.914160 19.12436 8.000792 1.624269 
11.97810 
1 1 1 -10 30  22 o 21.66388 6.141813  90.44845       88.14821 208.1852       
137.6985 8.699999       114.7395 26.21631 9.587596 17.11145 7.678898 9.104866 
12.28363 
1 1 1 -10 30  23 f 14.51562 4.912356  -124.6972      88.92159 -249.1850      
132.5860 -22.92591      119.8801 12.69427 6.316427 16.33696 7.525139 -3.642688 
9.824712 
1 1 1 -10 31  2  o 21.48820 6.244972  107.9799       91.23459 70.00151       
126.5609 149.0673       131.6393 19.75919 8.484537 23.21720 9.165771 -3.458012 
12.48994 
1 1 1 -10 31  3  o 21.37260 6.265420  104.1850       92.59041 83.96400       
130.5148 124.6733       131.3746 20.51978 8.706693 22.22543 9.011963 -1.705648 
12.53084 
1 1 1 -10 31  4  o 22.25759 6.302034  114.6071       93.01851 44.03408       
132.4645 183.2603       130.6504 19.27502 8.478432 25.24015 9.326238 -5.965130 
12.60407 
1 1 1 -10 31  5  o 34.65509 6.371771  351.7063       95.67876 276.1516       
148.6341 405.1671       125.0276 30.02888 10.03174 39.28130 7.858888 -9.252417 
12.74354 
1 1 1 -10 31  6  o 24.53524 6.419537  160.8383       86.49561 172.6110       
138.0115 153.2229       111.0002 25.05624 9.510489 24.01425 8.625105 1.041990 
12.83907 
1 1 1 -10 31  7  o 109.2827 4.549108  2811.179       188.1105 2970.150       
351.3975 2747.325       222.7085 108.4398 7.718471 110.1256 4.816921 -1.685867 
9.098215 
1 1 1 -10 31  8  o 43.63068 5.871815  459.0430       97.07968 598.0027       
181.6581 403.4922       114.8564 46.34118 9.654838 40.92017 6.685578 5.421009 
11.74363 
1 1 1 -10 31  9  o 15.68184 5.312639  -115.3864      94.88913 -100.7301      
158.5331 -123.5683      118.4501 17.18387 8.150204 14.17982 6.816944 3.004045 
10.62528 
1 1 1 -10 31  10 o 17.93481 5.824209  -27.80416      97.17110 -28.86320      
161.6972 -27.20550      121.5717 19.00309 8.747679 16.86654 7.691798 2.136547 
11.64842 
1 1 1 -10 31  11 o 26.39422 6.673378  143.2088       98.63589 342.5500       
164.4776 31.25928       123.2593 33.88021 10.49274 18.90823 8.248536 14.97198 
13.34676 
1 1 1 -10 31  12 o 24.44448 6.594219  152.1428       93.53250 158.1774       
142.2881 147.5512       124.1160 24.78972 9.590646 24.09924 9.052867 0.6904869 
13.18844 
1 1 1 -10 31  13 o 30.81512 6.732670  270.9675       96.43767 247.9365       
143.4734 289.9489       130.2504 29.33515 9.856043 32.29509 9.174629 -2.959946 
13.46534 
1 1 1 -10 31  14 o 60.58888 4.409275  871.9203       111.5398 842.0963       
164.2122 897.4663       151.9792 59.20054 6.606948 61.97723 5.840810 -2.776691 
8.818550 
1 1 1 -10 31  15 o 26.03486 6.259967  174.4043       98.49194 -5.181101      
151.6918 305.2934       129.5025 18.98552 8.640333 33.08420 9.060541 -14.09868 
12.51993 
1 1 1 -10 31  16 o 16.53170 5.436114  -46.18682      90.64670 -103.4695      
146.9742 -11.02086      115.1570 16.29006 7.773478 16.77333 7.601209 
-0.4832783     10.87223 
1 1 1 -10 31  17 o 18.32016 5.746495  1.128070       94.55879 -127.1721      
147.4755 90.69785       123.2216 15.76122 7.584326 20.87910 8.635208 -5.117878 
11.49299 
1 1 1 -10 31  18 o 22.65889 6.340519  87.89014       92.96301 257.1912       
153.3278 -10.52188      116.9002 28.60356 10.15064 16.71421 7.600870 11.88935 
12.68104 
1 1 1 -10 31  19 o 20.29882 6.089925  81.33275       89.21550 43.13235       
154.6922 100.3714       109.2075 19.90947 8.925783 20.68817 8.287289 
-0.7786980     12.17985 
1 1 1 -10 31  20 o 25.27134 6.221310  137.7536       88.82813 345.7362       
146.5752 17.03180       111.6708 33.36194 9.816162 17.18074 7.646029 16.18120 
12.44262 
1 1 1 -10 32  6  o 60.23727 4.909552  920.6491       123.7921 878.7697       
178.1477 959.7532       172.1437 58.42358 7.262950 62.05098 6.607901 -3.627399 
9.819104 
1 1 1 -10 32  7  o 16.76774 5.708797  -123.2809      104.9194 25.24431       
187.9592 -190.5071      126.4540 20.37874 9.400451 13.15674 6.480197 7.221995 
11.41759 
1 1 1 -10 32  8  o 42.16882 6.888525  552.2217       118.1421 477.5147       
204.2447 589.7862       144.8300 36.31013 11.75651 48.02750 7.182731 -11.71736 
13.77705 
1 1 1 -10 32  9  o 45.06193 6.676440  647.1322       116.1149 458.2952       
209.2981 731.0958       139.5620 35.16880 11.90418 54.95506 6.048957 -19.78626 
13.35288 
1 1 1 -10 32  10 o 48.07968 6.237576  663.1826       115.4514 555.6684       
188.6761 727.5331       145.9687 41.72257 10.71622 54.43679 6.386872 -12.71422 
12.47515 
1 1 1 -10 32  11 o 32.90791 7.001997  339.3903       105.0802 319.1616       
159.6021 354.8682       139.6084 31.26756 10.39528 34.54826 9.383497 -3.280704 
14.00399 
1 1 1 -10 32  12 o 53.15676 4.998220  701.1056       110.0007 810.6743       
174.0100 628.1768       141.9648 56.12617 7.384652 50.18735 6.737636 5.938816 
9.996440 
1 1 1 -10 32  13 o 23.35683 6.301926  139.8224       91.37319 227.4263       
129.8688 53.94449       128.5832 27.41487 9.377117 19.29880 8.421802 8.116064 
12.60385 
1 1 1 -10 32  14 o 15.69093 5.270215  -83.01077      94.83754 -56.36250      
131.7111 -111.7022      136.6672 16.15063 7.581757 15.23122 7.322406 0.9194107 
10.54043 
1 1 1 -10 32  15 o 24.46061 6.652288  174.2545       96.13980 193.6467       
140.7624 157.2990       131.6218 25.31577 9.606032 23.60545 9.205210 1.710321 
13.30458 
1 1 1 -10 32  16 o 20.88243 6.080184  81.00036       88.48476 180.3810       
135.5434 7.193424       116.8089 24.67095 9.407261 17.09392 7.705710 7.577032 
12.16037 
1 1 1 -9  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 1  o 41.23604 2.561610  366.8963       42.98192 403.9730       
56.18045 314.5604       66.74745 43.82735 3.053241 38.64473 4.114012 5.182625 
5.123219 
1 1 1 -9  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -19 21 o 33.44978 4.728710  248.6501       66.40716 0.000000       
0.000000 248.6501       66.40716 ?        ?        33.44978 4.728710 ? ? 
1 1 1 -9  -19 22 o 42.31698 4.902857  456.1746       68.05380 395.2775       
141.4857 474.5041       77.62286 38.24670 8.959111 46.38725 3.985769 -8.140553 
9.805714 
1 1 1 -9  -19 23 o 29.55290 5.863265  237.8271       69.51895 256.2235       
141.5730 231.9818       79.80289 28.74276 9.790550 30.36305 6.454193 -1.620293 
11.72653 
1 1 1 -9  -18 1  f 184.9202 1.709319  7203.681       132.2947 7485.726       
182.3901 6890.547       192.1796 188.7580 2.301532 181.0825 2.527853 7.675446 
3.418638 
1 1 1 -9  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -18 18 o 41.79368 3.757995  373.9141       65.93951 0.000000       
0.000000 373.9141       65.93951 ?        ?        41.79368 3.757995 ? ? 
1 1 1 -9  -18 19 o 22.81837 4.757982  132.2142       53.18425 14.39102       
105.2371 172.6288       61.63435 18.08153 7.749557 27.55521 5.522495 -9.473677 
9.515965 
1 1 1 -9  -18 20 o 23.84016 4.562057  152.4242       55.88377 -36.00145      
117.4103 207.6148       63.54317 16.95586 7.680020 30.72446 4.926128 -13.76860 
9.124114 
1 1 1 -9  -18 21 o 45.84717 4.468024  503.5917       70.08316 446.1488       
138.1996 523.4782       81.31446 42.62576 8.017035 49.06857 3.947166 -6.442810 
8.936049 
1 1 1 -9  -18 22 o 50.49327 4.689850  627.0328       81.64098 541.0688       
157.1204 658.8265       95.55304 46.21294 8.409097 54.77361 4.155222 -8.560673 
9.379701 
1 1 1 -9  -18 23 o 59.16421 4.090595  747.1477       91.09669 983.5835       
181.1825 667.1555       105.3861 63.82159 6.761916 54.50684 4.605254 9.314751 
8.181190 
1 1 1 -9  -18 24 o 24.07334 6.233797  160.7332       77.61974 156.1655       
155.7956 162.2414       89.52130 23.73716 9.749173 24.40951 7.771390 
-0.6723537     12.46759 
1 1 1 -9  -17 1  o 269.8017 2.736310  15351.56       298.8027 15466.36       
376.3534 15155.79       491.4570 271.2419 3.304914 268.3615 4.362008 2.880371 
5.472620 
1 1 1 -9  -17 2  o 100.1038 1.735478  2118.717       68.98665 2147.179       
85.06557 2064.032       117.9116 101.1070 2.003982 99.10069 2.834006 2.006279 
3.470956 
1 1 1 -9  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -17 15 o 77.90265 2.602765  1279.445       85.12675 0.000000       
0.000000 1279.445       85.12675 ?        ?        77.90265 2.602765 ? ? 
1 1 1 -9  -17 16 o 43.36635 3.903603  399.4065       71.07182 0.000000       
0.000000 399.4065       71.07182 ?        ?        43.36635 3.903603 ? ? 
1 1 1 -9  -17 17 o 58.15271 3.188718  716.7630       77.85114 0.000000       
0.000000 716.7630       77.85114 ?        ?        58.15271 3.188718 ? ? 
1 1 1 -9  -17 18 o 24.96925 5.296380  137.9321       54.43684 140.9815       
111.0532 136.9676       62.45498 25.39643 8.671265 24.54206 6.084054 0.8543663 
10.59276 
1 1 1 -9  -17 19 o 77.39212 3.307602  1376.214       96.96422 1089.507       
168.7464 1517.544       118.4768 70.42862 5.706981 84.35561 3.345340 -13.92699 
6.615204 
1 1 1 -9  -17 20 o 34.48512 5.128003  229.7069       65.72616 424.8690       
132.0671 165.4560       75.77682 42.41106 7.701090 26.55918 6.773394 15.85188 
10.25601 
1 1 1 -9  -17 21 o 49.36036 3.922963  505.5717       73.55035 635.5731       
143.3994 459.1631       85.67860 52.85405 6.462342 45.86667 4.449346 6.987381 
7.845925 
1 1 1 -9  -17 22 o 22.97615 5.995975  115.5343       70.69286 119.1440       
137.5894 114.2396       82.40101 23.82438 9.381660 22.12791 7.469356 1.696470 
11.99195 
1 1 1 -9  -17 23 o 20.76773 5.589070  90.31463       72.89676 -50.95842      
144.8601 138.2209       84.35590 17.87335 8.247738 23.66212 7.544909 -5.788778 
11.17814 
1 1 1 -9  -17 24 o 38.71017 5.337398  275.3318       77.00852 695.5764       
165.2463 158.7442       87.03762 52.71685 7.466265 24.70349 7.629295 28.01337 
10.67480 
1 1 1 -9  -17 25 o 24.84534 6.591544  173.7151       86.38729 204.7589       
169.4970 162.8213       100.4071 25.54570 10.28646 24.14497 8.245158 1.400728 
13.18309 
1 1 1 -9  -16 1  o 132.5179 2.511704  3659.812       135.7128 3563.401       
171.4248 3821.702       222.1367 130.2197 3.135580 134.8162 3.924637 -4.596451 
5.023409 
1 1 1 -9  -16 2  o 144.3616 2.531150  4380.780       153.3517 4356.471       
213.7250 4406.575       220.1624 143.9516 3.536388 144.7716 3.622269 
-0.8200684     5.062299 
1 1 1 -9  -16 3  o 104.2410 1.735468  2236.217       75.12673 1869.613       
98.85895 2737.328       115.5805 94.33400 2.496139 114.1479 2.411780 -19.81390 
3.470936 
1 1 1 -9  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 11 o 83.83305 3.266740  1479.611       114.9764 0.000000       
0.000000 1479.611       114.9764 ?        ?        83.83305 3.266740 ? ? 
1 1 1 -9  -16 12 o 43.49357 2.169009  401.7484       39.00216 375.7891       
59.52025 421.2827       51.63181 42.23931 3.356364 44.74784 2.748314 -2.508530 
4.338019 
1 1 1 -9  -16 13 o 106.5543 1.965889  2418.007       86.41383 2219.292       
132.0109 2566.997       114.3072 102.6471 3.063263 110.4616 2.464810 -7.814499 
3.931777 
1 1 1 -9  -16 14 o 28.90918 3.673716  226.8729       41.72744 48.96609       
66.69353 341.3114       53.49012 17.58592 6.629951 40.23245 3.166782 -22.64653 
7.347433 
1 1 1 -9  -16 15 o 144.5571 3.255578  4277.518       157.2894 4706.455       
361.3825 4177.271       174.7054 148.3827 5.801027 140.7316 2.956894 7.651138 
6.511155 
1 1 1 -9  -16 16 o 112.3830 2.088924  2647.113       97.41776 2547.618       
127.3547 2787.436       151.2439 109.8956 2.760295 114.8703 3.136110 -4.974663 
4.177848 
1 1 1 -9  -16 17 o 71.13704 2.238636  1046.802       64.86423 978.6241       
81.21807 1166.874       107.7828 68.06374 2.842221 74.21033 3.459442 -6.146591 
4.477272 
1 1 1 -9  -16 18 o 98.07663 2.721927  2025.870       110.1508 1932.970       
141.7799 2167.326       174.9518 95.37887 3.540656 100.7744 4.135131 -5.395515 
5.443854 
1 1 1 -9  -16 19 o 52.82116 4.361412  688.6684       81.37569 439.8965       
138.1093 820.9642       100.7152 43.66113 7.817138 61.98120 3.870402 -18.32007 
8.722824 
1 1 1 -9  -16 20 o 23.44464 5.356200  125.4015       70.32971 -38.27010      
129.4395 193.9604       83.77448 18.04400 8.124033 28.84529 6.982522 -10.80128 
10.71240 
1 1 1 -9  -16 21 o 33.96200 5.656092  290.1592       75.78059 226.2369       
141.7057 315.7619       89.68169 30.18053 9.794634 37.74347 5.659564 -7.562937 
11.31218 
1 1 1 -9  -16 22 o 46.54049 5.375109  581.8655       81.18993 386.5063       
161.6266 647.7989       93.89635 38.46523 9.939734 54.61575 4.094981 -16.15052 
10.75022 
1 1 1 -9  -16 23 o 21.24193 5.530006  96.30048       72.29955 -69.59435      
145.8272 150.3690       83.25194 17.67058 8.200272 24.81328 7.421550 -7.142704 
11.06001 
1 1 1 -9  -16 24 o 49.81799 5.463968  617.1067       88.40044 597.6914       
189.4715 622.5090       99.94534 46.68804 9.960172 52.94794 4.496085 -6.259899 
10.92794 
1 1 1 -9  -16 25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -16 26 o 20.66784 6.184653  91.91810       85.40947 50.69937       
186.0188 102.9288       96.14268 20.90333 9.527849 20.43236 7.887955 0.4709721 
12.36931 
1 1 1 -9  -15 1  o 349.1263 5.372011  25721.29       787.3816 25941.16       
1113.211 25501.17       1113.841 350.6278 7.562270 347.6249 7.631912 3.002869 
10.74402 
1 1 1 -9  -15 2  o 124.1031 2.540756  3239.112       132.2078 3197.495       
191.2397 3277.209       182.9742 123.3346 3.693297 124.8716 3.490175 -1.536987 
5.081512 
1 1 1 -9  -15 3  f 135.4742 2.323885  3829.167       117.0328 3917.909       
227.4672 3797.218       136.4833 136.4966 3.969339 134.4519 2.417874 2.044693 
4.647770 
1 1 1 -9  -15 4  o 39.26287 2.258686  316.5305       36.66708 367.2984       
58.38259 283.4615       47.11935 41.80042 3.326778 36.72533 3.056010 5.075089 
4.517372 
1 1 1 -9  -15 5  o 83.72598 1.852166  1484.833       63.91557 1406.867       
98.95562 1540.643       83.72260 81.81623 2.880859 85.63573 2.328675 -3.819496 
3.704332 
1 1 1 -9  -15 6  o 79.69460 1.984852  1338.730       60.43858 1326.046       
111.4079 1344.020       71.94582 79.40411 3.341903 79.98509 2.142484 
-0.5809860     3.969705 
1 1 1 -9  -15 7  o 157.0759 2.270240  5232.308       138.2980 5077.879       
247.0199 5302.813       166.9090 155.3115 3.788344 158.8404 2.502879 -3.528885 
4.540480 
1 1 1 -9  -15 8  o 75.67122 2.038297  1254.480       59.23438 1074.947       
103.9203 1340.882       72.09236 71.46183 3.463755 79.88062 2.149656 -8.418785 
4.076594 
1 1 1 -9  -15 9  o 132.8786 1.872513  3746.878       102.9929 3486.171       
156.2359 3947.243       136.9668 128.7307 2.890812 137.0266 2.380847 -8.295959 
3.745027 
1 1 1 -9  -15 10 o 116.1231 1.755332  2799.884       84.28021 2644.096       
108.8093 3033.522       133.2513 112.1490 2.310956 120.0971 2.642773 -7.948059 
3.510665 
1 1 1 -9  -15 11 o 71.95218 2.063907  1116.988       60.11785 971.1948       
95.10280 1214.019       77.58565 67.91689 3.335313 75.98747 2.431983 -8.070587 
4.127814 
1 1 1 -9  -15 12 o 76.60530 2.052006  1243.223       64.36481 1194.863       
102.0249 1275.196       82.95654 75.33852 3.225598 77.87208 2.537406 -2.533554 
4.104012 
1 1 1 -9  -15 13 o 69.18089 2.328166  1034.267       61.55212 943.0214       
110.8961 1074.893       73.99678 66.86883 3.950151 71.49294 2.465305 -4.624115 
4.656332 
1 1 1 -9  -15 14 o 158.7577 2.928654  5316.729       185.6500 5347.051       
316.0866 5300.761       229.3842 158.9508 4.736577 158.5645 3.445708 0.3862152 
5.857308 
1 1 1 -9  -15 15 o 41.31717 2.410900  359.8911       41.65872 356.2952       
56.35761 364.2226       61.85389 41.09881 3.266212 41.53553 3.547058 
-0.4367180     4.821801 
1 1 1 -9  -15 16 o 27.53161 3.602741  172.9240       39.50188 228.3851       
54.02037 109.1875       57.91048 32.84573 3.917416 22.21749 6.047546 10.62824 
7.205481 
1 1 1 -9  -15 17 o 60.32673 2.111997  767.8295       53.28791 761.6450       
72.14764 775.2531       79.04469 60.07418 2.860588 60.57927 3.107919 
-0.5050888     4.223994 
1 1 1 -9  -15 18 o 23.36358 4.176966  124.3304       41.89827 156.7399       
57.16006 86.69748       61.59428 26.58255 5.309577 20.14461 6.449540 6.437941 
8.353931 
1 1 1 -9  -15 19 o 83.81622 2.697727  1492.330       94.58910 1452.028       
127.7443 1541.247       140.7357 82.60784 3.683336 85.02460 3.942583 -2.416763 
5.395454 
1 1 1 -9  -15 20 o 76.34792 2.720645  1237.215       86.76524 1162.349       
115.8457 1332.871       130.9465 73.77396 3.740225 78.92188 3.952005 -5.147919 
5.441289 
1 1 1 -9  -15 21 o 37.00760 4.241144  306.8557       63.02434 395.4150       
92.26611 229.3914       86.29314 42.55074 5.164831 31.46445 6.728574 11.08629 
8.482287 
1 1 1 -9  -15 22 o 31.42029 4.914370  232.5631       63.18398 254.3053       
90.22710 211.6410       88.50893 32.98002 6.749212 29.86056 7.145087 3.119463 
9.828740 
1 1 1 -9  -15 23 o 37.30328 5.998246  329.5846       84.22722 389.4735       
160.9937 307.0151       98.83182 38.53121 9.900315 36.07534 6.774921 2.455864 
11.99649 
1 1 1 -9  -15 24 o 29.62270 10.15375  236.6359       152.2756 0.000000       
0.000000 236.6359       152.2756 ?        ?        29.62270 10.15375 ? ? 
1 1 1 -9  -15 25 o 52.71880 4.482779  604.8916       91.18509 787.8467       
173.4734 535.0413       107.1876 56.92775 7.258218 48.50984 5.263031 8.417915 
8.965558 
1 1 1 -9  -15 26 o 42.00038 5.585433  411.4506       85.85720 615.0549       
171.0397 342.8653       99.27023 46.96352 8.995595 37.03724 6.623254 9.926285 
11.17087 
1 1 1 -9  -14 1  f 92.66493 2.485050  1804.958       96.63765 1836.131       
135.4913 1772.678       137.8724 93.48122 3.452297 91.84864 3.575407 1.632576 
4.970099 
1 1 1 -9  -14 2  o 436.6884 6.201773  40099.67       1088.753 40961.07       
1833.543 39630.52       1353.137 439.8942 9.928049 433.4826 7.435172 6.411530 
12.40355 
1 1 1 -9  -14 3  o 224.1020 3.652241  10595.74       318.2643 10497.22       
568.7291 10640.66       384.0254 223.2350 6.068260 224.9690 4.065916 -1.733963 
7.304481 
1 1 1 -9  -14 4  o 254.3876 3.769049  13664.43       369.5736 13525.39       
670.6752 13725.06       442.8820 253.3037 6.306550 255.4715 4.129207 -2.167816 
7.538098 
1 1 1 -9  -14 5  o 202.6328 3.387247  8652.121       231.6652 8627.712       
513.9235 8658.346       259.5292 202.2868 6.051345 202.9787 3.045487 
-0.6918945     6.774494 
1 1 1 -9  -14 6  o 51.74773 2.111767  568.2809       44.53830 539.1784       
71.22578 586.9670       57.07292 50.64095 3.350090 52.85450 2.571990 -2.213547 
4.223533 
1 1 1 -9  -14 7  o 64.36580 1.842215  863.1462       48.94593 910.5186       
77.46748 831.6692       63.14703 65.81748 2.803491 62.91412 2.390704 2.903358 
3.684431 
1 1 1 -9  -14 8  o 64.59965 2.131599  870.2644       50.99676 893.0003       
99.76421 862.2221       59.33458 65.13996 3.647945 64.05933 2.206208 1.080627 
4.263198 
1 1 1 -9  -14 9  o 154.1934 3.078888  5220.615       160.2000 4662.256       
345.2486 5373.821       180.8477 148.5184 5.536976 159.8684 2.694458 -11.34996 
6.157776 
1 1 1 -9  -14 10 o 175.0799 1.901704  6350.046       129.5452 6195.979       
155.3165 6702.241       234.8299 171.7006 2.154601 178.4591 3.134265 -6.758484 
3.803409 
1 1 1 -9  -14 11 o 20.96184 3.741300  98.58214       33.90809 63.50758       
50.21836 127.9725       45.96942 17.70882 5.831069 24.21486 4.689131 -6.506041 
7.482601 
1 1 1 -9  -14 12 o 57.71542 2.373554  708.9848       54.45524 677.2607       
92.36388 725.8871       67.41887 56.68560 3.881061 58.74524 2.733568 -2.059643 
4.747108 
1 1 1 -9  -14 13 o 188.5010 2.747693  7491.063       217.4059 7328.401       
307.8176 7652.968       307.1005 186.4495 3.932361 190.5525 3.838725 -4.103027 
5.495387 
1 1 1 -9  -14 14 o 45.03717 2.374965  427.2396       44.83126 460.6856       
64.01521 395.0472       62.80408 46.77142 3.260046 43.30292 3.454552 3.468494 
4.749929 
1 1 1 -9  -14 15 f 59.94922 2.149043  756.0310       54.04448 781.1877       
78.39729 733.2494       74.60457 60.89643 3.066411 59.00201 3.011755 1.894413 
4.298086 
1 1 1 -9  -14 16 o 75.91080 2.022516  1212.176       64.34220 1181.588       
87.96099 1247.379       94.36320 74.88879 2.797656 76.93280 2.921542 -2.044006 
4.045033 
1 1 1 -9  -14 17 o 99.91817 2.055414  2064.674       84.80906 1894.418       
108.7998 2328.318       135.3899 94.79836 2.733683 105.0380 3.070159 -10.23960 
4.110827 
1 1 1 -9  -14 18 o 90.26630 2.061633  1656.825       73.26607 1548.007       
88.04034 1901.929       132.1313 85.70022 2.446926 94.83237 3.318717 -9.132149 
4.123267 
1 1 1 -9  -14 19 o 19.77630 3.848239  76.31158       37.13551 18.63269       
49.89518 147.9397       55.60220 13.76240 5.564744 25.79021 5.316897 -12.02781 
7.696478 
1 1 1 -9  -14 20 o 49.31598 2.863077  512.0034       58.61982 416.6862       
78.36388 633.1066       88.32991 44.13987 4.228691 54.49208 3.860962 -10.35220 
5.726155 
1 1 1 -9  -14 21 o 26.58948 5.143856  166.0868       59.68593 134.1715       
90.14541 190.9994       79.64399 24.37462 7.802298 28.80433 6.705309 -4.429710 
10.28771 
1 1 1 -9  -14 22 o 40.64713 3.798049  362.4552       64.36727 419.3285       
92.81951 309.7680       89.33839 43.82225 5.045052 37.47199 5.678745 6.350262 
7.596097 
1 1 1 -9  -14 23 o 20.96244 9.188621  13.81386       154.4792 0.000000       
0.000000 13.81386       154.4792 ?        ?        20.96244 9.188621 ? ? 
1 1 1 -9  -14 24 o 44.51879 3.739815  446.1078       68.56638 351.4871       
96.85754 541.1594       97.07787 39.44780 5.848327 49.58978 4.662825 -10.14198 
7.479630 
1 1 1 -9  -14 25 o 38.78966 4.327995  340.8627       68.07387 424.1079       
106.2158 282.8337       88.68136 43.04831 5.876979 34.53100 6.355098 8.517311 
8.655990 
1 1 1 -9  -14 26 o 22.07020 5.782627  119.4574       74.61524 13.42269       
147.0013 156.2573       86.60045 19.45163 8.711280 24.68877 7.607148 -5.237144 
11.56525 
1 1 1 -9  -14 27 o 30.09718 6.604381  259.1974       85.93382 311.9128       
164.4055 239.3810       100.7997 30.66560 10.54660 29.52876 7.952395 1.136839 
13.20876 
1 1 1 -9  -13 1  o 187.4608 5.640599  7393.132       443.9302 7393.132       
443.9302 0.000000       0.000000 187.4608 5.640599 ?        ?        ? ? 
1 1 1 -9  -13 2  o 230.8651 3.868279  11172.42       370.3071 10961.08       
484.8369 11468.33       573.6922 228.2913 5.058564 233.4388 5.853653 -5.147476 
7.736557 
1 1 1 -9  -13 3  o 426.2633 6.427140  38709.88       1024.516 37704.02       
1946.455 39095.34       1204.934 421.7449 10.99298 430.7816 6.662343 -9.036682 
12.85428 
1 1 1 -9  -13 4  o 142.4961 2.780514  4299.206       142.3143 4208.580       
288.1778 4328.437       163.6640 141.4440 4.852851 143.5481 2.715669 -2.104019 
5.561028 
1 1 1 -9  -13 5  o 291.2518 4.735769  17578.82       490.7598 18473.32       
1024.738 17312.60       559.0392 295.6346 8.256173 286.8690 4.641728 8.765533 
9.471538 
1 1 1 -9  -13 6  o 173.6411 3.260977  6388.741       212.7910 6246.054       
401.7820 6444.367       250.8630 172.1877 5.557884 175.0946 3.412597 -2.906860 
6.521955 
1 1 1 -9  -13 7  o 276.6134 5.047875  16064.35       391.0638 16319.41       
1097.014 16027.21       418.5622 277.1559 9.427772 276.0709 3.611274 1.085022 
10.09575 
1 1 1 -9  -13 8  o 60.67616 1.869980  775.2527       46.88816 764.7585       
72.80982 782.6885       61.28842 60.31845 2.875152 61.03388 2.391820 
-0.7154350     3.739960 
1 1 1 -9  -13 9  o 213.9294 3.672852  9647.040       288.4780 9675.518       
568.4023 9637.160       334.8020 213.8769 6.330134 213.9820 3.726764 
-0.1050568     7.345705 
1 1 1 -9  -13 10 o 151.1299 3.124429  4970.480       166.8826 4527.257       
339.1856 5112.041       191.6892 146.3567 5.520088 155.9032 2.928626 -9.546494 
6.248857 
1 1 1 -9  -13 11 o 269.6799 3.798515  15590.95       410.6434 14642.18       
680.5802 16134.10       514.9396 262.8236 6.167881 276.5363 4.435323 -13.71268 
7.597029 
1 1 1 -9  -13 12 o 150.9194 2.335119  4740.532       144.2626 4559.401       
183.0053 5037.840       234.4612 147.1995 2.961274 154.6394 3.611369 -7.439896 
4.670239 
1 1 1 -9  -13 13 o 122.7231 2.031751  3103.842       99.76859 2964.727       
122.3909 3379.368       172.2433 118.7450 2.455018 126.7011 3.238046 -7.956093 
4.063503 
1 1 1 -9  -13 14 o 99.06612 2.033917  2064.048       84.56707 2095.624       
121.4399 2034.320       117.8334 99.79968 2.898366 98.33256 2.854251 1.467125 
4.067835 
1 1 1 -9  -13 15 o 34.82732 3.100738  260.9908       44.34541 314.6485       
61.67552 203.5610       63.80653 38.62941 3.802909 31.02524 4.898590 7.604166 
6.201475 
1 1 1 -9  -13 16 f 36.82887 2.897365  286.0834       44.64496 280.9227       
60.43610 292.2824       66.23690 36.47247 3.946866 37.18527 4.242776 
-0.7127991     5.794730 
1 1 1 -9  -13 17 o 98.16886 1.922173  2030.858       78.19208 2026.464       
120.6181 2034.042       102.6928 98.04887 2.930157 98.28886 2.488609 
-0.2399902     3.844346 
1 1 1 -9  -13 18 o 146.2878 2.333628  4518.356       140.3675 4508.540       
181.0058 4533.166       222.3240 146.1817 2.949311 146.3939 3.617298 
-0.2122192     4.667256 
1 1 1 -9  -13 19 o 38.20240 2.861233  310.0591       45.22131 383.2253       
65.71525 244.2483       62.32456 42.52353 3.680933 33.88126 4.381479 8.642265 
5.722466 
1 1 1 -9  -13 20 o 47.86207 2.565901  487.1094       51.48063 471.7406       
74.11892 501.4344       71.55781 47.11341 3.747189 48.61072 3.506275 -1.497307 
5.131802 
1 1 1 -9  -13 21 o 84.70757 2.613528  1529.906       92.79410 1422.245       
130.5599 1639.808       131.9119 81.65537 3.808431 87.75977 3.580219 -6.104401 
5.227056 
1 1 1 -9  -13 22 o 23.92997 9.323752  101.9038       134.9737 0.000000       
0.000000 101.9038       134.9737 ?        ?        23.92997 9.323752 ? ? 
1 1 1 -9  -13 23 o 16.64289 4.896389  12.06681       57.76044 62.56683       
87.75529 -26.53396      76.72299 19.32073 7.520032 13.96504 6.272769 5.355690 
9.792779 
1 1 1 -9  -13 24 o 24.78723 5.355150  143.9943       62.28956 187.5175       
90.10295 104.1530       86.20759 27.85996 7.525656 21.71449 7.620698 6.145468 
10.71030 
1 1 1 -9  -13 25 o 28.49989 5.230833  199.3519       68.01839 295.7245       
96.13975 102.7675       96.24539 35.28400 6.731452 21.71579 8.008369 13.56821 
10.46167 
1 1 1 -9  -13 26 o 37.36108 4.701761  328.7033       71.93676 374.3709       
107.9237 292.1918       96.50000 40.01884 6.423524 34.70333 6.867646 5.315517 
9.403522 
1 1 1 -9  -13 27 f 40.56079 4.613119  403.5282       75.55540 353.5715       
110.3834 447.5659       103.6382 37.32681 7.304245 43.79478 5.636619 -6.467972 
9.226238 
1 1 1 -9  -13 28 o 23.54156 6.019385  148.9974       77.55820 207.1458       
116.1175 102.1604       104.2133 26.52176 8.866774 20.56136 8.143237 5.960394 
12.03877 
1 1 1 -9  -12 1  o 226.3852 4.517292  10679.89       424.4326 10127.36       
553.8167 11466.29       660.7081 219.3933 6.012618 233.3770 6.743302 -13.98369 
9.034583 
1 1 1 -9  -12 2  o 116.9862 3.941063  2875.874       193.5650 0.000000       
0.000000 2875.874       193.5650 ?        ?        116.9862 3.941063 ? ? 
1 1 1 -9  -12 3  o 175.3966 3.194842  6497.970       210.8427 6398.069       
398.0981 6536.918       248.5673 174.3979 5.437132 176.3953 3.356433 -1.997437 
6.389683 
1 1 1 -9  -12 4  o 29.49970 3.487908  185.6659       41.56819 187.6161       
64.56900 184.2855       54.32251 29.39228 5.437192 29.60711 4.370235 
-0.2148304     6.975816 
1 1 1 -9  -12 5  o 162.8440 2.788587  5498.505       178.5600 5788.662       
317.1457 5363.837       216.0588 165.9100 4.553101 159.7780 3.220891 6.131973 
5.577174 
1 1 1 -9  -12 6  o 60.09838 2.288482  787.6849       54.38736 665.9661       
89.87841 858.0037       68.31441 56.28491 3.803509 63.91185 2.545963 -7.626934 
4.576965 
1 1 1 -9  -12 7  o 162.9261 2.842299  5551.875       172.6585 5649.292       
333.5236 5516.210       201.8042 163.8288 4.849058 162.0234 2.966699 1.805389 
5.684599 
1 1 1 -9  -12 8  o 220.9704 3.964379  10196.03       290.0453 10452.32       
664.3540 10135.68       322.3928 222.3853 7.115649 219.5556 3.497534 2.829712 
7.928758 
1 1 1 -9  -12 9  o 165.5401 2.288574  5712.250       157.6108 5416.392       
207.1897 6118.603       242.8164 160.5101 3.074586 170.5701 3.390754 -10.05991 
4.577149 
1 1 1 -9  -12 10 o 137.2046 3.338613  3877.854       153.1699 4120.047       
349.3365 3820.212       170.4253 139.6237 5.959447 134.7856 3.011700 4.838074 
6.677226 
1 1 1 -9  -12 11 o 197.3241 2.947664  8224.953       243.2734 7954.154       
356.4513 8461.068       332.8421 194.2381 4.371059 200.4101 3.955849 -6.171936 
5.895329 
1 1 1 -9  -12 12 o 242.5517 3.590675  12379.69       360.4532 12127.37       
469.5498 12741.73       562.4515 239.6808 4.666265 245.4225 5.458733 -5.741608 
7.181350 
1 1 1 -9  -12 13 o 96.44992 1.837331  1956.091       72.16164 1955.109       
91.51620 1957.706       117.3323 96.43968 2.260286 96.46015 2.897283 
-0.2046967E-01 3.674662 
1 1 1 -9  -12 14 o 135.5384 2.062847  3779.881       102.5306 3693.524       
118.2821 4040.887       205.6362 132.5660 2.125240 138.5109 3.536200 -5.944901 
4.125694 
1 1 1 -9  -12 15 o 112.6031 2.184940  2611.494       98.49980 2487.829       
120.8568 2856.148       169.9904 108.7579 2.646863 116.4482 3.477063 -7.690353 
4.369880 
1 1 1 -9  -12 16 o 92.14838 2.076295  1768.327       79.40195 1669.811       
103.5297 1909.050       123.7353 89.07909 2.768281 95.21767 3.095259 -6.138573 
4.152591 
1 1 1 -9  -12 17 o 97.54312 1.938348  1997.041       78.56386 1960.438       
103.4919 2046.823       120.6932 96.51118 2.554170 98.57507 2.916330 -2.063881 
3.876695 
1 1 1 -9  -12 18 o 127.6923 2.132122  3444.006       114.1018 3237.625       
162.3288 3645.553       160.4167 123.8842 3.121050 131.5004 2.905652 -7.616173 
4.264243 
1 1 1 -9  -12 19 o 90.37984 2.280310  1729.406       86.13292 1682.196       
127.0298 1769.583       117.1855 89.20523 3.391849 91.55444 3.048707 -2.349205 
4.560620 
1 1 1 -9  -12 20 o 109.6452 2.698492  2556.344       123.9442 2439.843       
178.5339 2664.731       172.2045 107.1811 3.967562 112.1093 3.658674 -4.928284 
5.396985 
1 1 1 -9  -12 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -12 22 o 83.59732 2.587791  1492.099       90.70121 1418.629       
129.1508 1563.599       127.4087 81.52306 3.773443 85.67157 3.542284 -4.148506 
5.175581 
1 1 1 -9  -12 23 o 44.76983 4.482804  479.6125       75.56016 294.6195       
111.9604 634.3471       102.3955 35.35962 7.753589 54.18004 4.501554 -18.82043 
8.965608 
1 1 1 -9  -12 24 o 54.48240 3.516495  649.9319       79.63919 651.2372       
121.3258 648.9437       105.5654 54.36943 5.315199 54.59536 4.605606 
-0.2259216     7.032990 
1 1 1 -9  -12 25 o 44.38635 4.006265  436.1953       74.00925 479.7046       
114.0746 404.5701       97.25559 46.16547 5.885629 42.60724 5.436911 3.558228 
8.012529 
1 1 1 -9  -12 26 o 53.27679 3.666414  637.3984       81.30190 615.9950       
121.7767 654.6106       109.2044 52.22319 5.554206 54.33040 4.787606 -2.107204 
7.332829 
1 1 1 -9  -12 27 o 75.33297 3.298183  1263.547       104.0238 1323.604       
154.1206 1213.295       140.9798 76.86139 4.776101 73.80455 4.549825 3.056839 
6.596366 
1 1 1 -9  -12 28 o 74.91179 3.451091  1287.286       108.4733 1323.072       
152.5878 1250.723       154.2344 76.09904 4.775970 73.72453 4.982994 2.374504 
6.902182 
1 1 1 -9  -11 1  o 288.9361 2.694326  17481.24       319.3998 17267.59       
409.0836 17814.85       511.1872 286.7082 3.398545 291.1639 4.181801 -4.455719 
5.388652 
1 1 1 -9  -11 2  o 374.3896 3.389160  29386.04       488.9804 29667.07       
892.3179 29265.43       584.5654 375.5597 5.659286 373.2195 3.730696 2.340210 
6.778319 
1 1 1 -9  -11 3  o 594.4839 9.173662  74954.08       2221.136 75213.13       
3609.806 74796.24       2817.671 594.5239 14.46224 594.4440 11.29017 
0.7983398E-01  18.34732 
1 1 1 -9  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -11 5  o 481.7198 8.447888  49297.50       1287.759 49162.13       
3099.060 49325.75       1415.775 479.5971 15.39127 483.8424 6.969656 -4.245270 
16.89578 
1 1 1 -9  -11 6  o 209.3963 3.959661  9314.820       310.7415 9037.590       
588.1229 9422.186       366.0005 207.0856 6.764555 211.7070 4.117821 -4.621445 
7.919322 
1 1 1 -9  -11 7  o 158.9741 2.695511  5320.208       173.5630 5284.289       
285.4319 5341.280       218.6257 158.5177 4.288898 159.4305 3.266261 
-0.9127350     5.391021 
1 1 1 -9  -11 8  o 296.1213 4.485061  18476.95       543.1514 18556.88       
873.8315 18426.62       693.3655 296.4907 7.020010 295.7519 5.584133 0.7388306 
8.970121 
1 1 1 -9  -11 9  o 90.33282 2.082025  1756.800       76.06416 1541.939       
121.0288 1897.072       97.79071 85.63997 3.366150 95.02569 2.451194 -9.385719 
4.164050 
1 1 1 -9  -11 10 o 164.5049 3.308148  5738.647       208.0867 5608.951       
381.6482 5793.512       248.2289 163.0511 5.575201 165.9586 3.562655 -2.907455 
6.616296 
1 1 1 -9  -11 11 o 200.9183 2.784848  8501.119       234.3526 8477.497       
343.1863 8521.759       320.7947 200.6355 4.074209 201.2011 3.797676 
-0.5656586     5.569696 
1 1 1 -9  -11 12 o 180.9486 2.790474  6897.537       211.9714 6860.271       
297.5800 6935.922       302.0147 180.4555 3.927849 181.4417 3.964717 
-0.9861603     5.580948 
1 1 1 -9  -11 13 o 158.2498 2.303423  5002.621       125.5808 4814.801       
140.4752 5750.081       280.2359 151.3506 2.210735 165.1491 4.041743 -13.79849 
4.606846 
1 1 1 -9  -11 14 o 171.4334 2.403149  6130.602       170.6042 5855.831       
221.4945 6531.394       267.5082 166.7914 3.163081 176.0754 3.618758 -9.283936 
4.806298 
1 1 1 -9  -11 15 f 189.9570 2.272902  7508.315       158.3735 7417.867       
183.1967 7775.880       315.0877 187.8448 2.322948 192.0693 3.907461 -4.224457 
4.545805 
1 1 1 -9  -11 16 o 95.23161 1.876004  1894.959       74.35805 1817.277       
98.05132 2000.104       114.0745 92.95969 2.512348 97.50352 2.786694 -4.543823 
3.752007 
1 1 1 -9  -11 17 o 197.4360 2.862719  8220.188       236.9110 8366.995       
346.2527 8090.965       324.8554 199.0660 4.143022 195.8061 3.951710 3.259918 
5.725438 
1 1 1 -9  -11 18 o 65.90891 2.264989  911.0278       62.39229 965.6046       
93.70934 867.5684       83.62184 67.66373 3.298739 64.15408 3.104678 3.509651 
4.529978 
1 1 1 -9  -11 19 f 60.28518 2.690593  767.9691       68.03368 788.0192       
98.83227 749.9113       93.79366 61.02572 3.857509 59.54463 3.751906 1.481094 
5.381187 
1 1 1 -9  -11 20 o 87.05640 6.262968  1631.282       228.9074 1631.282       
228.9074 0.000000       0.000000 87.05640 6.262968 ?        ?        ? ? 
1 1 1 -9  -11 21 o 32.67793 4.096390  232.7821       54.67055 274.4411       
80.06428 196.3897       74.83231 35.75203 5.334076 29.60384 6.218462 6.148188 
8.192780 
1 1 1 -9  -11 22 o 155.1447 3.242519  5130.918       209.6969 5401.008       
319.1930 4925.835       278.1399 158.5648 4.794769 151.7245 4.366452 6.840332 
6.485037 
1 1 1 -9  -11 23 o 74.31786 2.598997  1176.539       79.96363 1195.392       
124.2311 1163.203       104.4860 74.72459 3.959933 73.91111 3.367205 0.8134842 
5.197993 
1 1 1 -9  -11 24 o 57.95628 3.548245  724.8582       85.82063 807.3654       
130.3519 661.7319       114.0187 60.79710 5.106879 55.11547 4.927468 5.681629 
7.096489 
1 1 1 -9  -11 25 o 97.51152 3.204173  2062.617       130.4610 2163.687       
196.7079 1983.248       174.3145 99.49011 4.709372 95.53294 4.346117 3.957176 
6.408347 
1 1 1 -9  -11 26 o 42.00903 5.007653  424.1505       84.07068 338.0298       
122.9332 499.8140       115.2283 36.96035 8.141814 47.05770 5.832428 -10.09735 
10.01531 
1 1 1 -9  -11 27 o 23.80026 6.018893  132.7405       76.18579 168.7107       
114.7402 104.3776       101.8873 25.81143 8.814034 21.78910 8.198848 4.022326 
12.03779 
1 1 1 -9  -11 28 o 37.11967 5.590335  355.5131       84.46981 375.3229       
119.1049 335.4662       119.8149 38.41590 7.656188 35.82345 8.148017 2.592453 
11.18067 
1 1 1 -9  -11 29 o 21.84583 5.938934  118.7555       79.84136 172.6048       
111.5902 62.27571       114.2834 24.61968 8.667345 19.07197 8.121632 5.547705 
11.87787 
1 1 1 -9  -10 1  o 166.2295 2.434752  5854.123       165.7721 5568.387       
261.7866 6045.398       214.1868 162.8008 3.830115 169.6582 3.007039 -6.857330 
4.869503 
1 1 1 -9  -10 2  o 278.4106 3.025897  16315.50       348.7067 16127.84       
538.7601 16450.80       457.4482 277.0046 4.632649 279.8167 3.893942 -2.812012 
6.051795 
1 1 1 -9  -10 3  o 313.9273 3.537486  20574.76       314.5287 20916.13       
872.4301 20523.77       337.2053 315.2354 6.591993 312.6192 2.569211 2.616180 
7.074972 
1 1 1 -9  -10 4  o 281.2625 5.141577  16742.28       507.8791 16517.78       
1063.863 16808.55       577.9952 279.7714 9.057395 282.7537 4.868970 -2.982300 
10.28315 
1 1 1 -9  -10 5  o 338.0019 6.905014  24061.34       979.8568 0.000000       
0.000000 24061.34       979.8568 ?        ?        338.0019 6.905014 ? ? 
1 1 1 -9  -10 6  o 109.1502 2.341598  2486.287       94.79455 2538.685       
184.8236 2467.583       110.4248 109.9042 4.005570 108.3961 2.426465 1.508041 
4.683196 
1 1 1 -9  -10 7  o 117.5662 2.785348  2916.624       119.1238 2882.606       
237.2991 2928.085       137.7363 117.0668 4.828179 118.0656 2.778729 
-0.9988174     5.570696 
1 1 1 -9  -10 8  o 202.5516 3.825015  8795.891       274.4416 8340.630       
562.1896 8938.325       314.4557 198.8875 6.732810 206.2156 3.632109 -7.328125 
7.650030 
1 1 1 -9  -10 9  o 179.0717 3.397245  6836.645       229.4471 6549.061       
428.3789 6952.340       271.7084 176.2891 5.787934 181.8542 3.558778 -5.565048 
6.794489 
1 1 1 -9  -10 10 o 25.98236 3.385232  141.4133       35.55886 96.20461       
46.94624 202.2567       54.46235 20.96190 5.322721 31.00283 4.184235 -10.04093 
6.770464 
1 1 1 -9  -10 11 o 106.9156 2.080363  2408.066       93.10233 2327.463       
135.6627 2479.826       128.0040 105.2139 3.071201 108.6173 2.807021 -3.403366 
4.160726 
1 1 1 -9  -10 12 o 55.89758 2.069898  658.0719       48.41642 671.1827       
66.23087 643.0237       70.95532 56.50084 2.792072 55.29431 3.056508 1.206532 
4.139796 
1 1 1 -9  -10 13 o 231.4782 3.081581  11072.76       276.1938 10730.47       
329.3915 11883.27       506.8649 225.7652 3.475173 237.1912 5.089963 -11.42604 
6.163161 
1 1 1 -9  -10 14 o 120.3559 2.018110  3059.989       101.5380 2856.996       
147.2540 3243.997       140.1985 116.5200 3.010146 124.1918 2.688882 -7.671783 
4.036219 
1 1 1 -9  -10 15 o 122.3848 1.930523  3126.124       97.92738 3005.845       
127.5754 3298.650       152.7909 119.5577 2.541618 125.2118 2.906520 -5.654076 
3.861047 
1 1 1 -9  -10 16 o 78.34967 1.974903  1286.389       64.60453 1336.695       
97.34344 1246.787       86.36740 79.70639 2.908939 76.99296 2.671898 2.713432 
3.949805 
1 1 1 -9  -10 17 o 108.1384 2.145447  2451.415       97.19637 2625.290       
143.2070 2302.911       132.3473 111.6772 3.054363 104.5997 3.013740 7.077538 
4.290893 
1 1 1 -9  -10 18 o 69.77062 2.514568  1026.839       73.56068 1031.372       
101.5908 1021.843       106.6549 69.94114 3.459735 69.60011 3.649992 0.3410339 
5.029136 
1 1 1 -9  -10 19 o 22.21251 5.163082  53.24378       65.58829 -48.07144      
84.94778 202.7959       103.2074 14.32389 6.504645 30.10113 8.019928 -15.77724 
10.32616 
1 1 1 -9  -10 20 o 116.9719 3.957313  2667.316       146.2246 3331.272       
371.3512 2545.479       159.0760 124.1964 7.121914 109.7474 3.452484 14.44904 
7.914627 
1 1 1 -9  -10 21 o 44.54733 3.441777  422.4338       63.76876 430.5513       
97.42617 416.3497       84.34660 44.87453 5.171266 44.22012 4.543272 0.6544075 
6.883554 
1 1 1 -9  -10 22 o 72.87523 2.821958  1124.450       82.99313 1151.615       
138.5596 1109.251       103.6415 73.42409 4.494890 72.32637 3.413173 1.097717 
5.643916 
1 1 1 -9  -10 23 o 63.68142 2.876224  865.6039       76.70650 883.7977       
113.0026 850.0573       104.4592 64.26672 4.188159 63.09612 3.943347 1.170609 
5.752449 
1 1 1 -9  -10 24 o 35.12152 4.458967  275.3915       64.08874 316.5981       
94.13011 239.7831       87.50266 37.93903 5.909673 32.30401 6.678720 5.635014 
8.917933 
1 1 1 -9  -10 25 o 47.87798 3.629465  503.2470       72.20600 509.5749       
95.97843 494.9952       109.6017 48.37875 4.725416 47.37722 5.510218 1.001537 
7.258930 
1 1 1 -9  -10 26 o 67.79500 3.530772  1007.267       98.94739 1044.965       
155.0543 981.3683       128.5173 68.59789 5.383865 66.99210 4.569399 1.605789 
7.061544 
1 1 1 -9  -10 27 o 35.36536 5.812614  315.9468       83.85175 297.2474       
130.8533 328.9753       109.2244 33.85897 9.034624 36.87176 7.315838 -3.012791 
11.62523 
1 1 1 -9  -10 28 o 58.77021 3.923912  780.1888       96.34719 881.9176       
144.6184 699.0032       129.1936 62.19026 5.538885 55.35015 5.559595 6.840111 
7.847824 
1 1 1 -9  -10 29 o 38.74166 5.352561  386.8628       83.40998 392.5503       
125.4033 382.3503       111.7012 38.56833 8.011590 38.91499 7.100287 
-0.3466644     10.70512 
1 1 1 -9  -9  1  o 112.2874 2.255262  2644.509       105.5826 2679.456       
159.4336 2617.211       140.9091 112.9436 3.362322 111.6311 3.006595 1.312515 
4.510523 
1 1 1 -9  -9  2  o 69.80148 2.150954  1011.782       62.67705 898.1299       
83.72703 1156.656       94.53046 65.39278 3.049699 74.21017 3.034096 -8.817383 
4.301907 
1 1 1 -9  -9  3  o 150.0153 1.619613  4746.514       100.4715 4599.806       
154.9152 4853.024       131.9969 148.0014 2.493154 152.0292 2.068035 -4.027832 
3.239226 
1 1 1 -9  -9  4  o 68.77057 1.890451  995.5321       51.91845 985.6886       
88.07408 1000.774       64.27312 68.50473 3.062306 69.03640 2.217545 
-0.5316696     3.780902 
1 1 1 -9  -9  5  o 130.0633 2.296529  3607.303       110.7189 3438.433       
212.3303 3670.368       129.7563 127.9197 3.953627 132.2068 2.337736 -4.287178 
4.593057 
1 1 1 -9  -9  6  o 345.4799 5.221461  25249.54       741.1089 24653.26       
1168.558 25650.75       958.5425 341.9141 8.140562 349.0456 6.541092 -7.131561 
10.44292 
1 1 1 -9  -9  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -9  8  o 356.4481 7.718901  27019.95       1027.039 26788.01       
1964.602 27107.18       1204.776 354.5464 13.19844 358.3498 8.007932 -3.803406 
15.43780 
1 1 1 -9  -9  9  o 108.1519 1.965660  2457.233       89.25159 2446.897       
125.8337 2467.697       126.6115 107.9231 2.777177 108.3807 2.782547 
-0.4575500     3.931321 
1 1 1 -9  -9  10 o 57.60754 2.052307  698.9063       49.48536 759.6032       
69.84666 637.7336       70.11989 60.12711 2.766919 55.08797 3.031834 5.039139 
4.104614 
1 1 1 -9  -9  11 f 146.3003 2.344497  4379.222       127.4543 4247.394       
147.8607 4760.394       251.4255 142.1821 2.477017 150.4185 3.981338 -8.236481 
4.688994 
1 1 1 -9  -9  12 o 64.72369 1.958050  879.5327       53.16909 853.9968       
73.52039 907.5314       76.98405 63.74064 2.747340 65.70675 2.790692 -1.966106 
3.916100 
1 1 1 -9  -9  13 o 240.8850 3.035384  11813.18       242.4270 11562.66       
268.6071 12913.65       562.9732 234.5107 2.728198 247.2593 5.423206 -12.74864 
6.070769 
1 1 1 -9  -9  14 o 44.01414 2.398602  405.4750       44.17939 437.7397       
65.79295 378.9804       59.62030 45.59784 3.436815 42.43045 3.346860 3.167389 
4.797205 
1 1 1 -9  -9  15 o 151.1555 2.331697  4831.684       144.9618 4920.251       
188.0268 4701.898       227.6128 152.9182 2.928745 149.3928 3.629009 3.525406 
4.663394 
1 1 1 -9  -9  16 o 82.15157 2.011567  1408.719       68.97746 1519.921       
104.5846 1323.107       91.76542 84.99303 2.930929 79.31010 2.755951 5.682930 
4.023135 
1 1 1 -9  -9  17 o 130.6294 2.150056  3573.114       117.5052 3386.109       
158.3440 3802.318       175.3018 126.8518 2.973213 134.4070 3.106602 -7.555199 
4.300113 
1 1 1 -9  -9  18 o 61.22371 2.824532  792.0829       72.11802 778.9378       
107.9257 802.6876       96.93742 60.74540 4.231874 61.70201 3.742081 
-0.9566078     5.649064 
1 1 1 -9  -9  19 o 24.21357 9.133497  95.71627       126.6286 0.000000       
0.000000 95.71627       126.6286 ?        ?        24.21357 9.133497 ? ? 
1 1 1 -9  -9  20 o 96.31979 2.885118  1946.771       114.2470 2046.739       
182.9488 1882.866       146.2746 98.25618 4.434972 94.38339 3.691429 3.872787 
5.770236 
1 1 1 -9  -9  21 o 59.77051 3.066603  773.1802       73.69534 704.1076       
120.1613 814.8259       93.30328 57.48117 4.979205 62.05984 3.581024 -4.578674 
6.133206 
1 1 1 -9  -9  22 o 79.47972 2.899350  1325.969       93.79601 1410.885       
154.7330 1276.641       117.9338 81.35647 4.530143 77.60297 3.619770 3.753502 
5.798701 
1 1 1 -9  -9  23 o 87.10632 2.875611  1625.224       104.2946 1553.777       
155.8078 1683.226       140.3846 85.26536 4.352488 88.94730 3.759307 -3.681938 
5.751221 
1 1 1 -9  -9  24 o 57.24989 3.064247  697.8370       73.26800 608.7845       
99.11572 805.1264       108.7922 53.22554 4.435510 61.27425 4.229029 -8.048714 
6.128493 
1 1 1 -9  -9  25 o 55.50498 3.198491  648.4728       73.49920 787.6563       
116.0866 555.3478       94.95576 60.32003 4.583967 50.68993 4.461909 9.630096 
6.396982 
1 1 1 -9  -9  26 o 43.80693 3.628341  422.8786       66.53155 454.1109       
93.44673 390.7715       94.74638 45.54313 4.887225 42.07073 5.364183 3.472401 
7.256681 
1 1 1 -9  -9  27 o 37.76183 5.497045  346.7545       84.16911 346.3742       
122.2143 347.0976       116.0880 37.59394 7.984199 37.92973 7.557948 
-0.3357887     10.99409 
1 1 1 -9  -9  28 o 34.96774 6.050264  313.1691       88.24699 346.7888       
127.6284 282.3729       122.1518 36.91244 8.418975 33.02303 8.691585 3.889416 
12.10053 
1 1 1 -9  -9  29 o 36.89742 5.851429  350.4457       88.18217 410.0031       
133.0282 303.7616       117.7768 39.78384 8.242141 34.01101 8.308068 5.772839 
11.70286 
1 1 1 -9  -9  30 o 32.71977 6.297503  307.5078       88.61404 324.3455       
130.5603 293.1262       120.6625 33.39272 9.076418 32.04683 8.732287 1.345890 
12.59501 
1 1 1 -9  -8  1  o 52.51007 2.408882  580.4865       52.95956 534.1779       
75.22763 625.9878       74.56897 50.42765 3.553282 54.59249 3.253466 -4.164841 
4.817764 
1 1 1 -9  -8  2  o 229.6646 2.598029  11080.98       250.0014 11087.01       
342.9059 11074.14       365.2631 229.7367 3.555213 229.5924 3.789390 0.1443024 
5.196057 
1 1 1 -9  -8  3  o 269.8039 2.369895  15311.51       265.3673 15149.72       
406.1732 15431.99       350.5195 268.5453 3.602589 271.0625 3.080093 -2.517120 
4.739791 
1 1 1 -9  -8  4  o 285.0865 2.252591  17062.69       269.5420 16580.79       
376.6553 17568.53       385.8923 280.9623 3.193133 289.2107 3.178138 -8.248383 
4.505182 
1 1 1 -9  -8  5  o 198.5153 2.807115  8395.141       215.9435 7979.254       
384.1888 8587.214       261.0897 194.8331 4.696811 202.1974 3.075638 -7.364319 
5.614230 
1 1 1 -9  -8  6  o 116.0222 1.997200  2805.163       92.40742 2897.130       
158.8529 2758.125       113.6076 117.4393 3.221831 114.6051 2.361154 2.834198 
3.994401 
1 1 1 -9  -8  7  o 324.8450 5.465687  22334.94       696.8469 21986.58       
1221.622 22502.97       848.4187 322.7151 9.016513 326.9748 6.180406 -4.259644 
10.93137 
1 1 1 -9  -8  8  o 56.17456 3.424693  663.0226       80.76818 0.000000       
0.000000 663.0226       80.76818 ?        ?        56.17456 3.424693 ? ? 
1 1 1 -9  -8  9  o 282.6629 4.317430  16790.85       503.9370 16624.35       
654.4173 17033.43       789.8970 281.0275 5.546603 284.2983 6.617855 -3.270874 
8.634860 
1 1 1 -9  -8  10 o 56.69136 2.202090  671.4684       52.13333 580.5196       
71.08356 777.3312       76.69063 52.55902 3.221387 60.82370 3.003243 -8.264675 
4.404181 
1 1 1 -9  -8  11 o 94.57607 1.891587  1876.215       74.90087 1839.621       
101.7746 1919.454       110.6304 93.57433 2.590619 95.57782 2.757010 -2.003494 
3.783175 
1 1 1 -9  -8  12 o 34.49084 2.774535  251.4417       39.70619 258.3057       
52.70288 242.4314       60.38358 35.04441 3.582092 33.93728 4.238019 1.107128 
5.549070 
1 1 1 -9  -8  13 o 155.8075 1.981025  5117.527       127.6607 5019.087       
197.3546 5188.352       167.3998 154.4952 3.042659 157.1198 2.537729 -2.624542 
3.962050 
1 1 1 -9  -8  14 o 158.3221 2.364663  5245.288       153.2989 5144.007       
195.3402 5407.674       247.3456 156.3850 2.975209 160.2592 3.676229 -3.874130 
4.729326 
1 1 1 -9  -8  15 o 103.8657 2.237776  2275.746       95.23258 2246.272       
151.7733 2294.885       122.3057 103.2795 3.500275 104.4518 2.789021 -1.172325 
4.475552 
1 1 1 -9  -8  16 o 258.8090 3.851003  14080.74       412.3421 14719.62       
646.3337 13642.24       535.4672 263.5691 5.840948 254.0489 5.020380 9.520218 
7.702005 
1 1 1 -9  -8  17 o 65.22316 2.770979  886.1728       75.42001 1002.476       
114.4222 796.8250       100.2896 68.96046 3.952130 61.48586 3.885097 7.474602 
5.541959 
1 1 1 -9  -8  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -8  19 o 70.55225 2.790221  1039.835       82.09140 1141.152       
125.2679 963.5732       108.6806 73.52306 4.058236 67.58144 3.830413 5.941612 
5.580443 
1 1 1 -9  -8  20 o 113.9416 2.975916  2735.745       139.0134 2796.174       
223.0290 2697.353       177.7700 114.8753 4.624406 113.0079 3.746888 1.867348 
5.951832 
1 1 1 -9  -8  21 o 218.9028 4.614908  10281.05       389.2075 10324.16       
707.4971 10262.35       466.0686 218.2330 7.721920 219.5726 5.055833 -1.339630 
9.229815 
1 1 1 -9  -8  22 o 68.50864 3.044925  959.1421       85.46983 1177.801       
140.9968 832.1187       107.4652 74.40335 4.513753 62.61393 4.088068 11.78942 
6.089849 
1 1 1 -9  -8  23 o 87.04913 2.839559  1600.670       102.9025 1696.498       
157.7782 1529.736       135.7465 89.24305 4.211081 84.85521 3.810405 4.387840 
5.679119 
1 1 1 -9  -8  24 o 90.48036 2.811967  1739.982       106.3120 1820.307       
159.6257 1675.950       142.5199 92.29456 4.119531 88.66615 3.828590 3.628410 
5.623934 
1 1 1 -9  -8  25 o 57.36399 3.135079  698.9161       74.32964 763.2222       
117.7622 656.3318       95.83096 59.43027 4.719754 55.29772 4.127810 4.132553 
6.270159 
1 1 1 -9  -8  26 o 19.69684 5.078632  55.23237       62.03962 140.0464       
86.87462 -33.03608      88.62614 24.53814 7.631035 14.85555 6.703531 9.682590 
10.15726 
1 1 1 -9  -8  27 o 51.03185 3.593584  576.8502       76.46775 644.7175       
107.4810 507.2879       108.8148 54.25471 4.718622 47.80899 5.421252 6.445713 
7.187167 
1 1 1 -9  -8  28 o 72.84819 3.614731  1164.140       109.5054 1412.110       
165.3577 970.4472       146.1440 79.79887 4.935701 65.89752 5.282422 13.90134 
7.229462 
1 1 1 -9  -8  29 o 53.53661 4.653662  672.9594       103.6881 674.8506       
156.7985 671.4895       138.2255 53.21250 7.018580 53.86072 6.112757 
-0.6482239     9.307323 
1 1 1 -9  -8  30 o 54.50813 4.798041  726.7087       108.2334 712.2590       
165.4723 737.5133       143.0867 53.31998 7.391908 55.69629 6.119190 -2.376312 
9.596082 
1 1 1 -9  -8  31 o 32.26773 6.591794  323.5866       97.47685 257.5661       
150.0365 371.8070       128.2251 28.23474 10.03896 36.30072 8.545547 -8.065981 
13.18359 
1 1 1 -9  -7  1  o 104.3631 2.212193  2299.599       96.40290 2124.263       
140.1932 2456.876       132.7774 100.5660 3.320450 108.1602 2.924004 -7.594208 
4.424386 
1 1 1 -9  -7  2  o 249.5080 3.090947  13119.82       297.6635 12985.16       
539.0511 13178.89       357.0339 248.5328 5.166153 250.4832 3.395095 -1.950394 
6.181894 
1 1 1 -9  -7  3  o 163.3753 2.575130  5647.519       153.6419 5525.171       
303.5212 5689.669       178.1526 162.1471 4.458626 164.6035 2.577949 -2.456421 
5.150259 
1 1 1 -9  -7  4  o 449.1846 5.436052  42911.07       906.2900 41605.82       
1741.395 43395.93       1061.355 444.0957 9.339890 454.2735 5.564991 -10.17783 
10.87210 
1 1 1 -9  -7  5  o 132.6816 1.843471  3716.926       99.96559 3607.800       
159.7273 3787.192       128.1705 131.0656 2.902761 134.2975 2.273219 -3.231888 
3.686943 
1 1 1 -9  -7  6  o 117.4333 1.814759  2867.922       82.41804 2968.126       
150.3825 2824.903       98.53413 118.8762 3.013170 115.9905 2.023417 2.885704 
3.629519 
1 1 1 -9  -7  7  o 133.1981 2.024876  3694.369       105.5349 3814.043       
188.3609 3639.613       127.4110 134.7442 3.329674 131.6519 2.305158 3.092270 
4.049751 
1 1 1 -9  -7  8  o 167.5235 1.846223  5887.125       120.7488 5912.849       
214.9838 5875.270       145.9438 167.7755 3.052097 167.2715 2.078187 0.5039520 
3.692446 
1 1 1 -9  -7  9  o 158.0273 2.785176  5208.542       177.0140 5111.601       
219.7037 5387.898       298.8427 155.9750 3.355083 160.0796 4.446598 -4.104523 
5.570352 
1 1 1 -9  -7  10 o 288.1404 6.851173  17505.31       828.7966 17505.31       
828.7966 0.000000       0.000000 288.1404 6.851173 ?        ?        ? ? 
1 1 1 -9  -7  11 o 126.3567 2.159893  3211.983       103.3633 3039.058       
120.7292 3686.734       200.0397 120.2839 2.390705 132.4295 3.597927 -12.14566 
4.319786 
1 1 1 -9  -7  12 o 320.3129 3.333537  21455.37       430.9763 21080.30       
537.5423 22130.34       721.1118 316.5463 4.044795 324.0796 5.299953 -7.533325 
6.667073 
1 1 1 -9  -7  13 f 90.39101 1.807430  1717.756       68.55086 1745.022       
95.80523 1689.153       98.12758 91.12825 2.504132 89.65376 2.607016 1.474487 
3.614859 
1 1 1 -9  -7  14 o 72.24147 1.941774  1081.790       58.12615 1189.755       
91.35719 1008.358       75.34352 75.22144 2.892825 69.26150 2.591046 5.959946 
3.883549 
1 1 1 -9  -7  15 o 126.2989 2.458583  3359.755       130.0024 3336.616       
190.7625 3379.820       177.6404 125.8785 3.609628 126.7193 3.339029 
-0.8408127     4.917167 
1 1 1 -9  -7  16 o 114.5997 2.884127  2772.426       138.5938 2682.191       
198.8157 2857.726       193.3030 112.7683 4.199377 116.4311 3.954491 -3.662849 
5.768255 
1 1 1 -9  -7  17 o 171.3746 6.572840  6237.365       472.9099 6237.365       
472.9099 0.000000       0.000000 171.3746 6.572840 ?        ?        ? ? 
1 1 1 -9  -7  18 o 79.93054 3.447528  1355.248       100.2147 1338.914       
199.5020 1360.761       115.8981 79.47729 5.978954 80.38379 3.434226 
-0.9064941     6.895056 
1 1 1 -9  -7  19 o 103.4857 2.990328  2236.341       126.0468 2357.411       
207.2365 2165.254       158.7965 105.6234 4.673337 101.3480 3.732047 4.275475 
5.980656 
1 1 1 -9  -7  20 o 104.7690 2.672419  2322.823       112.9103 2294.789       
187.2665 2338.835       141.5293 104.1904 4.281083 105.3477 3.199942 -1.157356 
5.344839 
1 1 1 -9  -7  21 o 52.09945 3.362916  569.1003       72.66708 619.7352       
113.6367 534.0703       94.51798 54.00478 5.011958 50.19412 4.485209 3.810665 
6.725832 
1 1 1 -9  -7  22 o 102.9804 2.849355  2212.403       119.1941 2385.231       
198.1980 2114.480       149.1872 105.9720 4.454808 99.98880 3.553869 5.983223 
5.698710 
1 1 1 -9  -7  23 o 59.24180 3.179916  751.4909       78.50043 710.2371       
116.3840 785.9243       106.3289 57.68096 4.805981 60.80264 4.165334 -3.121674 
6.359832 
1 1 1 -9  -7  24 f 117.3108 2.983175  2928.250       144.5288 2983.845       
226.5444 2890.091       187.6850 118.0813 4.569759 116.5402 3.835966 1.541100 
5.966351 
1 1 1 -9  -7  25 o 51.74744 3.524582  574.0856       76.09676 618.4075       
115.6272 540.2211       101.0700 53.44471 5.153192 50.05016 4.809919 3.394547 
7.049164 
1 1 1 -9  -7  26 o 20.14831 5.386102  61.08770       68.53529 -25.08678      
104.3730 126.4084       90.87081 16.57340 7.383389 23.72322 7.843847 -7.149822 
10.77220 
1 1 1 -9  -7  27 o 43.98012 4.301402  444.5163       73.22659 613.7498       
105.5613 287.5464       101.6646 53.02581 4.741748 34.93443 7.178026 18.09138 
8.602804 
1 1 1 -9  -7  28 o 73.50594 2.927991  1166.679       89.92195 1338.653       
133.1731 1022.565       121.9098 78.50970 4.040305 68.50217 4.238921 10.00752 
5.855981 
1 1 1 -9  -7  29 o 22.82164 6.131388  106.3429       84.64854 170.8918       
120.0617 42.54242       119.3636 26.04717 9.007448 19.59611 8.321152 6.451059 
12.26278 
1 1 1 -9  -7  30 o 18.46479 5.790385  8.272735       89.24950 42.08711       
131.6382 -20.49404      121.4163 19.79835 8.579394 17.13122 7.778702 2.667131 
11.58077 
1 1 1 -9  -7  31 f 32.18029 6.640893  313.3954       96.62330 273.5077       
147.2507 343.5569       128.0453 29.52864 9.984943 34.83194 8.758240 -5.303301 
13.28179 
1 1 1 -9  -6  1  o 268.2583 4.436901  15178.93       491.0538 14911.55       
765.7288 15365.71       639.9771 266.1923 6.851734 270.3242 5.638980 -4.131897 
8.873801 
1 1 1 -9  -6  2  o 145.2585 2.600716  4447.839       157.9264 4229.698       
230.7668 4640.001       216.5899 141.8911 3.873818 148.6258 3.471084 -6.734650 
5.201432 
1 1 1 -9  -6  3  o 106.3099 1.813575  2393.052       79.55229 2258.485       
122.5868 2490.951       104.5593 103.7027 2.815624 108.9171 2.286586 -5.214401 
3.627150 
1 1 1 -9  -6  4  o 259.9744 2.507721  13976.58       261.5556 13477.69       
322.4483 14936.32       447.2329 253.3216 3.031859 266.6272 3.995308 -13.30563 
5.015442 
1 1 1 -9  -6  5  o 218.8499 2.205568  10077.94       202.2799 9595.130       
290.0399 10535.17       282.2530 213.7327 3.232271 223.9671 3.001756 -10.23436 
4.411135 
1 1 1 -9  -6  6  o 226.7768 2.675629  10739.84       252.4068 10352.00       
332.4897 11267.37       387.7659 221.9845 3.567605 231.5691 3.988504 -9.584656 
5.351259 
1 1 1 -9  -6  7  o 446.1880 3.223032  41966.39       564.3988 41504.43       
991.0265 42188.15       686.6292 444.2611 5.313345 448.1149 3.649673 -3.853760 
6.446065 
1 1 1 -9  -6  8  o 167.7794 1.707036  5890.035       119.8742 5655.010       
162.1031 6173.658       178.0759 164.1010 2.352888 171.4577 2.473826 -7.356796 
3.414073 
1 1 1 -9  -6  9  o 399.0991 2.933844  33453.52       491.3759 32200.68       
684.9835 34781.71       705.2819 391.4045 4.168457 406.7935 4.129616 -15.38901 
5.867688 
1 1 1 -9  -6  10 o 300.8629 4.554333  18527.85       517.2327 17871.67       
605.1653 20306.54       996.3489 291.4772 4.945276 310.2487 7.649315 -18.77145 
9.108665 
1 1 1 -9  -6  11 o 102.2602 2.921416  2197.012       125.4236 0.000000       
0.000000 2197.012       125.4236 ?        ?        102.2602 2.921416 ? ? 
1 1 1 -9  -6  12 o 163.7646 2.060985  5564.481       133.5554 5428.733       
162.5863 5846.122       234.1884 160.7587 2.408967 166.7706 3.344775 -6.011978 
4.121971 
1 1 1 -9  -6  13 o 173.8555 2.176531  6292.811       155.1915 6081.691       
197.7111 6631.674       250.4825 170.1161 2.768259 177.5949 3.359448 -7.478775 
4.353062 
1 1 1 -9  -6  14 o 211.3926 3.028385  9251.888       220.5037 9692.054       
481.6604 9135.179       248.0201 214.3254 5.352891 208.4598 2.833907 5.865555 
6.056771 
1 1 1 -9  -6  15 o 43.91628 2.736093  404.2766       50.31623 433.1596       
74.50295 380.0552       68.22639 45.35011 3.913058 42.48246 3.825285 2.867645 
5.472187 
1 1 1 -9  -6  16 o 97.83037 3.345185  1917.258       123.0888 1799.451       
142.9523 2255.018       242.0515 92.42587 3.683992 103.2349 5.584733 -10.80899 
6.690369 
1 1 1 -9  -6  17 o 59.65512 6.299135  755.2012       157.7639 0.000000       
0.000000 755.2012       157.7639 ?        ?        59.65512 6.299135 ? ? 
1 1 1 -9  -6  18 o 128.6771 3.064387  3493.399       164.6936 3492.924       
245.6681 3493.787       221.9565 128.6362 4.548902 128.7180 4.107234 
-0.8180237E-01 6.128775 
1 1 1 -9  -6  19 f 46.80371 3.503882  468.9948       67.72881 423.1402       
102.3963 504.6595       90.30507 44.70947 5.455142 48.89796 4.398884 -4.188492 
7.007763 
1 1 1 -9  -6  20 o 104.3339 2.987123  2298.746       130.8390 2298.604       
185.9252 2298.885       184.1562 104.3277 4.244823 104.3401 4.203937 
-0.1237488E-01 5.974245 
1 1 1 -9  -6  21 o 71.24790 2.971480  1062.438       87.83847 1145.020       
136.9804 1004.765       114.4724 73.54372 4.436432 68.95208 3.954344 4.591644 
5.942959 
1 1 1 -9  -6  22 o 36.88401 4.769360  304.2867       71.00156 243.7751       
104.4615 356.2460       96.79848 32.92325 7.689131 40.84476 5.644860 -7.921516 
9.538720 
1 1 1 -9  -6  23 o 98.56721 2.903389  2063.699       119.6701 2042.496       
176.7879 2081.630       162.5814 98.04883 4.294683 99.08559 3.908242 -1.036766 
5.806777 
1 1 1 -9  -6  24 o 120.8596 3.473982  3118.094       174.0270 3184.137       
269.5240 3070.874       227.9016 121.7758 5.271784 119.9435 4.525761 1.832275 
6.947965 
1 1 1 -9  -6  25 o 69.86577 3.076458  1063.577       87.79978 952.0124       
136.7314 1141.856       114.5324 66.51063 4.896642 73.22092 3.725756 -6.710289 
6.152915 
1 1 1 -9  -6  26 o 67.87112 3.004027  980.7112       84.27426 1041.335       
132.8506 939.8889       109.0163 69.49313 4.553472 66.24911 3.919516 3.244019 
6.008054 
1 1 1 -9  -6  27 f 24.36255 5.576601  135.4514       70.53013 52.66991       
109.1716 194.7545       92.40203 20.08953 8.190915 28.63557 7.569862 -8.546047 
11.15320 
1 1 1 -9  -6  28 o 19.66611 5.412040  53.62056       67.65090 -4.492796      
92.72199 119.7689       98.92459 16.21671 7.113523 23.11550 8.158339 -6.898787 
10.82408 
1 1 1 -9  -6  29 o 34.62757 5.251431  292.2675       74.10844 312.4855       
103.7926 271.2407       105.8479 36.08072 7.105003 33.17442 7.734924 2.906307 
10.50286 
1 1 1 -9  -6  30 o 28.40426 6.402330  213.0580       88.71450 271.1737       
124.2844 152.6877       126.6722 31.96382 8.924138 24.84470 9.182544 7.119112 
12.80466 
1 1 1 -9  -6  31 o 31.16011 6.533377  277.2727       91.52071 278.2280       
129.2236 276.3113       129.6371 31.23045 9.225718 31.08978 9.253441 0.1406727 
13.06675 
1 1 1 -9  -6  32 o 32.55429 6.820498  331.7856       100.7745 300.8666       
155.8522 354.0008       132.1066 30.25082 10.27243 34.85776 8.975181 -4.606941 
13.64100 
1 1 1 -9  -5  1  o 312.4466 4.679942  20535.30       611.1933 20591.51       
908.5219 20488.83       826.0657 312.8037 6.918063 312.0894 6.304586 0.7142944 
9.359883 
1 1 1 -9  -5  2  o 245.9535 3.746284  12628.76       378.5429 12302.26       
484.5980 13139.84       606.3037 241.9386 4.770870 249.9684 5.777316 -8.029877 
7.492568 
1 1 1 -9  -5  3  o 315.6174 3.553281  20920.42       400.3526 20975.08       
822.9409 20903.47       458.2340 315.7745 6.207441 315.4603 3.459901 0.3142395 
7.106563 
1 1 1 -9  -5  4  o 103.6113 1.837034  2257.585       77.64150 2240.671       
125.4280 2268.092       98.85838 103.2916 2.892347 103.9309 2.265634 
-0.6393280     3.674067 
1 1 1 -9  -5  5  o 155.8022 2.455219  5110.132       153.3934 5061.508       
257.9356 5136.739       190.7997 155.2117 3.958291 156.3927 2.905912 -1.180908 
4.910437 
1 1 1 -9  -5  6  o 252.8762 2.669525  13592.71       265.0355 12982.44       
460.8406 13894.32       323.9751 248.5467 4.416354 257.2058 3.000212 -8.659149 
5.339050 
1 1 1 -9  -5  7  o 361.3847 3.081213  27463.35       467.1389 26915.00       
669.5110 27983.55       652.1013 357.8578 4.456237 364.9116 4.256459 -7.053802 
6.162426 
1 1 1 -9  -5  8  o 410.6879 3.529891  35158.12       578.9040 34497.79       
712.4954 36440.85       993.0452 405.1597 4.188678 416.2162 5.682914 -11.05655 
7.059783 
1 1 1 -9  -5  9  o 416.2082 3.253253  36372.69       519.0940 36307.18       
618.5273 36528.74       954.6409 415.7006 3.544046 416.7158 5.456588 -1.015228 
6.506505 
1 1 1 -9  -5  10 o 73.17004 1.801576  1123.438       55.22176 1109.845       
75.42520 1139.141       81.07079 72.69456 2.471358 73.64551 2.622039 
-0.9509430     3.603151 
1 1 1 -9  -5  11 o 234.2039 3.159719  11568.91       308.3291 11245.38       
461.9559 11828.82       414.0528 231.2139 4.758912 237.1940 4.157892 -5.980057 
6.319438 
1 1 1 -9  -5  12 o 36.03366 2.801859  274.9249       41.98496 232.4109       
59.56703 316.8970       59.18620 33.24112 4.268264 38.82619 3.630921 -5.585068 
5.603719 
1 1 1 -9  -5  13 o 132.6280 2.951444  3696.707       164.3420 3696.707       
164.3420 0.000000       0.000000 132.6280 2.951444 ?        ?        ? ? 
1 1 1 -9  -5  14 o 73.17654 2.189479  1121.137       66.82420 1164.954       
101.2435 1087.313       88.95242 74.43286 3.239839 71.92021 2.945967 2.512650 
4.378958 
1 1 1 -9  -5  15 o 27.41838 4.892199  166.9199       56.74895 136.5178       
82.93841 193.6829       77.81651 25.15469 7.378429 29.68207 6.425980 -4.527380 
9.784397 
1 1 1 -9  -5  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -5  17 o 175.1314 3.835082  6464.664       281.0573 6783.442       
418.1762 6202.023       379.5721 179.0180 5.563957 171.2448 5.279564 7.773224 
7.670164 
1 1 1 -9  -5  18 o 155.4191 3.537815  5080.569       214.4205 5171.356       
383.5335 5039.291       258.6112 156.2323 5.847274 154.6059 3.984210 1.626389 
7.075630 
1 1 1 -9  -5  19 o 97.59207 2.832569  1996.637       111.5110 2049.021       
186.5882 1967.532       139.0808 98.52521 4.510845 96.65894 3.427253 1.866264 
5.665138 
1 1 1 -9  -5  20 o 45.21507 3.721280  427.6073       70.21815 491.0336       
106.0820 378.1466       93.67774 48.16495 5.246038 42.26520 5.279278 5.899754 
7.442560 
1 1 1 -9  -5  21 o 58.90411 3.122803  732.3926       76.92741 826.0630       
111.3733 646.9305       106.3818 62.51586 4.243382 55.29237 4.582719 7.223484 
6.245607 
1 1 1 -9  -5  22 o 94.05856 2.995121  1868.356       116.9096 1906.539       
180.2923 1840.652       153.5735 94.82705 4.528622 93.29007 3.921045 1.536980 
5.990243 
1 1 1 -9  -5  23 o 55.07155 3.357448  637.0528       76.97443 707.9165       
118.6074 585.4883       101.1755 57.66019 4.899557 52.48291 4.591752 5.177280 
6.714897 
1 1 1 -9  -5  24 o 72.36142 3.034291  1106.143       91.79145 1200.941       
137.7859 1030.500       123.0807 75.11121 4.369391 69.61164 4.211425 5.499565 
6.068582 
1 1 1 -9  -5  25 o 71.06829 3.168528  1078.149       94.44479 1142.920       
136.8488 1019.242       130.5070 73.10910 4.458519 69.02748 4.503320 4.081619 
6.337056 
1 1 1 -9  -5  26 o 72.78952 3.041713  1136.719       92.94500 1137.640       
132.3613 1135.824       130.5457 72.80816 4.330140 72.77088 4.272932 
0.3727722E-01  6.083425 
1 1 1 -9  -5  27 o 61.80099 3.456911  845.4393       87.86490 703.6497       
129.7537 965.5223       119.4093 56.66732 5.453913 66.93466 4.249209 -10.26734 
6.913823 
1 1 1 -9  -5  28 o 62.64125 3.345610  867.0474       86.65288 776.5788       
129.6852 940.0161       116.4688 59.40207 5.200077 65.88042 4.210895 -6.478355 
6.691221 
1 1 1 -9  -5  29 o 36.22273 5.138346  301.4323       76.31563 412.1577       
118.3895 222.7126       99.82323 42.34622 6.659166 30.09925 7.827253 12.24697 
10.27669 
1 1 1 -9  -5  30 o 14.57738 4.742126  -62.10853      69.13210 -131.4009      
100.3265 0.5392105      95.39496 12.78174 6.175174 16.37302 7.198488 -3.591279 
9.484251 
1 1 1 -9  -5  31 f 53.11256 4.277150  658.5815       95.14820 601.6620       
132.2668 719.6269       136.9765 50.57272 6.229533 55.65241 5.862506 -5.079685 
8.554300 
1 1 1 -9  -5  32 o 26.59183 6.704409  211.8621       95.33721 176.5294       
133.5745 248.5521       136.1158 24.69584 9.361433 28.48782 9.599998 -3.791977 
13.40882 
1 1 1 -9  -4  1  o 249.0650 3.346752  13029.55       321.6590 13017.76       
385.2310 13056.72       584.5315 248.9366 3.685986 249.1935 5.587174 
-0.2569733     6.693505 
1 1 1 -9  -4  2  o 59.75456 2.436116  729.9686       60.28530 908.1652       
94.33595 606.9621       78.37749 65.75426 3.417232 53.75487 3.472918 11.99939 
4.872231 
1 1 1 -9  -4  3  o 228.0511 2.597203  11049.06       211.5537 10689.19       
430.6569 11163.52       242.8785 225.5319 4.548251 230.5702 2.509036 -5.038269 
5.194406 
1 1 1 -9  -4  4  o 101.0848 2.240823  2177.569       87.73134 2063.776       
156.1192 2230.089       106.0620 99.11540 3.751770 103.0542 2.451404 -3.938843 
4.481647 
1 1 1 -9  -4  5  o 258.7048 2.344263  14069.93       252.0857 13971.87       
383.8869 14144.27       334.2510 257.9004 3.545459 259.5092 3.067898 -1.608887 
4.688526 
1 1 1 -9  -4  6  o 139.4739 1.842750  4097.820       106.6889 3997.027       
162.5338 4174.129       141.4214 137.9579 2.806197 140.9899 2.389177 -3.031937 
3.685500 
1 1 1 -9  -4  7  o 169.0914 2.329147  6005.542       164.6566 6008.660       
244.3075 6002.947       222.8835 169.1267 3.440692 169.0562 3.140277 
0.7052612E-01  4.658294 
1 1 1 -9  -4  8  o 302.0721 3.496485  18978.29       430.1511 18371.60       
541.7147 20013.61       707.6642 295.6591 4.364158 308.4851 5.464043 -12.82602 
6.992971 
1 1 1 -9  -4  9  o 270.5823 2.649192  15435.72       292.4051 15160.15       
471.0594 15608.46       372.9576 268.5800 4.177564 272.5845 3.258962 -4.004517 
5.298384 
1 1 1 -9  -4  10 f 104.4827 1.718708  2283.687       75.24505 2134.350       
102.7339 2456.506       110.5170 100.8123 2.427289 108.1531 2.433948 -7.340828 
3.437417 
1 1 1 -9  -4  11 o 185.5421 2.464319  7257.396       191.2462 6892.795       
278.3269 7583.516       263.2300 181.1032 3.660581 189.9809 3.300247 -8.877701 
4.928639 
1 1 1 -9  -4  12 o 142.4219 1.762609  4256.697       105.1820 4201.588       
143.8426 4320.025       154.1960 141.4346 2.422441 143.4092 2.561045 -1.974655 
3.525219 
1 1 1 -9  -4  13 o 64.22804 2.049015  867.5866       55.16150 808.0946       
77.83485 927.6177       78.18663 62.01193 2.989647 66.44415 2.802831 -4.432213 
4.098030 
1 1 1 -9  -4  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -4  15 o 76.80695 5.455596  1244.985       175.9226 1244.985       
175.9226 0.000000       0.000000 76.80695 5.455596 ?        ?        ? ? 
1 1 1 -9  -4  16 o 170.4225 3.553525  6031.758       245.4780 6503.162       
410.4444 5769.233       306.2972 175.4155 5.573236 165.4296 4.410126 9.985962 
7.107050 
1 1 1 -9  -4  17 o 194.1027 4.132351  7977.015       332.3161 7985.865       
513.2399 7970.627       436.0666 194.0586 6.299535 194.1468 5.349875 
-0.8818054E-01 8.264703 
1 1 1 -9  -4  18 o 142.6870 3.336043  4285.482       187.8501 4342.767       
328.1679 4257.565       229.0965 143.2471 5.456718 142.1270 3.839397 1.120041 
6.672087 
1 1 1 -9  -4  19 o 156.6738 3.615004  5094.114       216.2136 5417.875       
405.7721 4965.742       255.5073 159.8683 6.045620 153.4793 3.965287 6.389038 
7.230009 
1 1 1 -9  -4  20 o 68.80123 2.885884  1003.402       82.91659 930.6285       
120.6849 1068.467       114.1143 66.40621 4.328777 71.19625 3.817720 -4.790039 
5.771767 
1 1 1 -9  -4  21 o 93.40753 3.068772  1815.291       118.8981 2020.503       
186.3344 1674.354       154.4207 97.76449 4.539760 89.05058 4.130377 8.713905 
6.137543 
1 1 1 -9  -4  22 o 53.71281 3.585660  617.2498       79.94517 575.2445       
119.9697 650.8016       107.2205 52.00387 5.494866 55.42176 4.608067 -3.417885 
7.171320 
1 1 1 -9  -4  23 o 50.75215 3.789039  543.4905       80.27748 606.1788       
121.6565 495.1419       106.8401 53.30567 5.436044 48.19864 5.279839 5.107029 
7.578078 
1 1 1 -9  -4  24 o 38.74209 4.413082  325.8927       69.75024 380.8734       
102.4299 278.3546       95.24498 42.12537 5.791675 35.35881 6.660155 6.766556 
8.826164 
1 1 1 -9  -4  25 o 120.7335 3.389484  3124.805       169.3927 3083.888       
261.3204 3154.458       222.4594 119.8511 5.193405 121.6158 4.356942 -1.764671 
6.778968 
1 1 1 -9  -4  26 o 21.27051 5.790287  59.78565       75.63815 129.9133       
113.6293 3.988366       101.3566 24.87770 8.747392 17.66332 7.588994 7.214376 
11.58057 
1 1 1 -9  -4  27 o 71.09397 3.172545  1079.654       92.82095 1140.303       
148.2106 1040.514       119.0622 72.55644 4.865467 69.63150 4.072764 2.924942 
6.345090 
1 1 1 -9  -4  28 o 56.51398 3.505926  688.4458       82.60735 806.0806       
124.8866 596.9418       110.1459 60.77774 4.894319 52.25023 5.021127 8.527508 
7.011852 
1 1 1 -9  -4  29 o 32.23348 5.763083  244.3797       77.86134 334.0837       
123.3107 184.9011       100.4095 36.94968 8.166937 27.51729 8.133489 9.432384 
11.52617 
1 1 1 -9  -4  30 o 20.72667 5.866427  70.94843       76.23682 107.6766       
120.9827 46.75896       98.18307 22.74541 8.834465 18.70793 7.720888 4.037476 
11.73285 
1 1 1 -9  -4  31 o 40.26893 4.748988  386.7026       77.71927 390.2737       
117.8548 383.9546       103.3846 39.82061 7.323626 40.71725 6.047815 
-0.8966370     9.497976 
1 1 1 -9  -4  32 o 48.78152 4.389709  557.0183       88.80320 467.6946       
115.9408 683.7956       138.1255 44.11193 6.260386 53.45112 6.155141 -9.339184 
8.779419 
1 1 1 -9  -3  1  o 68.95531 2.423942  993.6996       69.82178 862.4952       
95.41347 1144.961       102.4472 64.07827 3.546663 73.83234 3.305022 -9.754074 
4.847885 
1 1 1 -9  -3  2  o 142.8447 2.756772  4285.436       164.7884 4302.512       
243.2870 4270.960       223.9982 143.1031 4.049402 142.5864 3.741860 0.5166931 
5.513544 
1 1 1 -9  -3  3  o 191.3700 2.138402  7667.502       165.9045 7783.043       
273.7137 7600.401       208.5878 192.4943 3.386880 190.2458 2.611530 2.248474 
4.276803 
1 1 1 -9  -3  4  o 276.0419 2.448136  15498.97       248.1322 14991.13       
285.7889 17054.14       500.1138 267.1879 2.547708 284.8959 4.181227 -17.70795 
4.896271 
1 1 1 -9  -3  5  o 216.4834 2.122864  9876.822       192.2135 9322.776       
279.1104 10376.61       265.0928 210.6832 3.155493 222.2836 2.840609 -11.60046 
4.245727 
1 1 1 -9  -3  6  o 215.0899 2.663142  9717.240       240.4389 9443.683       
337.5866 9998.873       342.5312 212.0171 3.792585 218.1627 3.739733 -6.145630 
5.326284 
1 1 1 -9  -3  7  o 405.3555 3.637991  34371.04       564.4955 34123.85       
671.0058 34969.60       1044.166 403.0009 3.965896 407.7101 6.100130 -4.709198 
7.275982 
1 1 1 -9  -3  8  o 416.2017 3.934021  36360.14       685.8325 35443.99       
933.9063 37432.60       1010.435 410.5424 5.418342 421.8611 5.705056 -11.31870 
7.868043 
1 1 1 -9  -3  9  o 96.34319 1.705047  1950.401       68.88513 1921.704       
99.44548 1976.872       95.51022 95.66050 2.476130 97.02587 2.344679 -1.365372 
3.410094 
1 1 1 -9  -3  10 o 457.1133 4.098448  43238.30       660.4513 42640.37       
749.4886 45315.88       1397.074 450.4480 3.963158 463.7786 7.175129 -13.33057 
8.196897 
1 1 1 -9  -3  11 o 64.77920 1.939518  881.2549       52.67403 819.2869       
73.73967 945.8192       75.26853 62.45335 2.812332 67.10505 2.671649 -4.651703 
3.879035 
1 1 1 -9  -3  12 o 123.7236 2.012378  3209.196       104.4233 3045.869       
144.0225 3390.219       151.6244 120.4113 2.848946 127.0358 2.842915 -6.624535 
4.024756 
1 1 1 -9  -3  13 o 172.6277 3.009504  6233.517       208.6022 6385.968       
352.6335 6151.450       258.7268 174.1935 4.821838 171.0619 3.602544 3.131638 
6.019007 
1 1 1 -9  -3  14 o 134.8217 3.074666  3803.168       147.9976 3867.646       
305.1731 3783.340       169.2301 135.4752 5.365466 134.1683 3.004339 1.306961 
6.149332 
1 1 1 -9  -3  15 o 79.40061 3.484910  1326.069       116.1701 0.000000       
0.000000 1326.069       116.1701 ?        ?        79.40061 3.484910 ? ? 
1 1 1 -9  -3  16 o 164.8032 6.314974  5747.274       436.9342 5747.274       
436.9342 0.000000       0.000000 164.8032 6.314974 ?        ?        ? ? 
1 1 1 -9  -3  17 o 16.82467 5.003680  6.762425       59.40876 20.20500       
91.41158 -3.067162      78.16777 18.02586 7.445293 15.62347 6.686916 2.402395 
10.00736 
1 1 1 -9  -3  18 o 302.6298 5.865421  19453.17       697.3550 19963.70       
1230.976 19211.89       846.2454 304.5688 9.626871 300.6908 6.703432 3.877930 
11.73084 
1 1 1 -9  -3  19 o 78.44423 2.740698  1290.946       89.46658 1341.035       
136.9654 1253.668       118.1575 79.74718 4.090879 77.14128 3.648343 2.605896 
5.481396 
1 1 1 -9  -3  20 o 212.7274 4.946026  9620.491       441.0533 9743.579       
643.5156 9511.447       605.6885 213.9404 7.164526 211.5144 6.820724 2.425949 
9.892053 
1 1 1 -9  -3  21 o 152.6833 3.270342  4848.206       204.7999 5282.384       
332.5118 4582.825       259.9608 158.0157 5.012195 147.3509 4.202195 10.66483 
6.540683 
1 1 1 -9  -3  22 f 124.4277 3.497591  3264.597       180.8800 3398.917       
278.4310 3166.517       237.9244 126.5572 5.240246 122.2981 4.633832 4.259117 
6.995182 
1 1 1 -9  -3  23 f 25.25382 5.781699  129.5636       69.09162 168.2900       
110.0230 104.3480       88.77999 27.75187 8.579152 22.75578 7.753083 4.996094 
11.56340 
1 1 1 -9  -3  24 o 162.4945 4.062297  5646.458       275.6323 5744.192       
413.2485 5568.136       369.9427 163.6020 6.016496 161.3870 5.459928 2.214996 
8.124595 
1 1 1 -9  -3  25 o 78.35273 2.990963  1307.953       97.53158 1293.738       
147.5199 1318.992       129.9969 77.90156 4.510508 78.80390 3.929220 
-0.9023438     5.981926 
1 1 1 -9  -3  26 o 70.03566 3.111781  1046.493       91.07507 1076.206       
136.2476 1022.492       122.4531 70.87833 4.578640 69.19299 4.215302 1.685341 
6.223562 
1 1 1 -9  -3  27 o 59.57831 3.524562  760.2854       87.67892 876.3621       
131.2130 666.6422       117.8535 63.67273 4.908452 55.48388 5.059372 8.188847 
7.049124 
1 1 1 -9  -3  28 o 55.35400 3.664794  669.0261       84.80842 676.0135       
126.0552 663.2478       114.6315 55.52097 5.407853 55.18704 4.947523 0.3339272 
7.329587 
1 1 1 -9  -3  29 o 43.52319 4.165014  423.6447       75.26045 419.1790       
114.6950 427.0215       99.73486 43.11538 6.336264 43.93100 5.407506 
-0.8156166     8.330028 
1 1 1 -9  -3  30 o 87.91401 3.467746  1707.232       127.5147 1722.392       
188.8556 1694.530       172.8689 88.08584 5.106753 87.74218 4.692773 0.3436584 
6.935492 
1 1 1 -9  -3  31 o 61.25510 3.551783  843.7133       90.65127 795.5487       
133.9588 884.4028       123.1257 59.35886 5.375350 63.15133 4.643948 -3.792469 
7.103566 
1 1 1 -9  -3  32 o 22.83536 6.016875  128.6438       78.06149 149.1849       
105.0904 103.3590       116.5951 24.01388 8.415315 21.65685 8.601955 2.357033 
12.03375 
1 1 1 -9  -3  33 o 59.36951 3.785913  827.6608       94.05893 745.1439       
130.5311 916.7838       135.6556 56.06351 5.545681 62.67551 5.155383 -6.612000 
7.571826 
1 1 1 -9  -2  1  o 193.5826 2.961572  7831.082       220.2785 7768.771       
262.4959 7979.426       405.0200 192.3232 3.250963 194.8421 4.951249 -2.518936 
5.923143 
1 1 1 -9  -2  2  o 51.09637 2.700072  539.7493       57.45811 633.9862       
87.80286 469.1677       75.98779 54.93510 3.806973 47.25764 3.829947 7.677456 
5.400143 
1 1 1 -9  -2  3  o 425.6610 5.136471  38310.88       773.6329 37823.82       
1603.905 38458.55       883.1605 423.5684 9.019368 427.7536 4.917756 -4.185211 
10.27294 
1 1 1 -9  -2  4  o 157.5336 2.134655  5270.037       132.6772 5040.084       
228.6009 5386.843       162.9259 154.8997 3.515186 160.1675 2.422908 -5.267761 
4.269311 
1 1 1 -9  -2  5  o 452.0151 3.599449  42967.79       682.5154 42481.32       
982.1546 43422.09       949.1372 449.5255 5.204111 454.5047 4.974068 -4.979156 
7.198897 
1 1 1 -9  -2  6  o 388.9861 3.129282  31608.21       487.6494 31175.40       
603.0930 32425.57       828.7928 385.2241 3.728996 392.7481 5.026353 -7.523956 
6.258565 
1 1 1 -9  -2  7  o 145.5445 1.927037  4392.800       114.1027 4232.701       
143.3196 4669.940       188.5652 141.9751 2.404443 149.1139 3.012066 -7.138779 
3.854074 
1 1 1 -9  -2  8  o 164.7996 2.402158  5701.833       166.1450 5502.911       
232.0953 5910.903       237.9428 161.8526 3.415605 167.7466 3.378624 -5.893982 
4.804317 
1 1 1 -9  -2  9  o 446.5931 3.843623  41703.27       682.0617 41205.47       
836.2883 42692.19       1178.729 442.7670 4.498853 450.4193 6.233303 -7.652222 
7.687245 
1 1 1 -9  -2  10 o 309.9413 2.525033  20016.54       307.1793 19721.43       
371.8959 20650.19       544.9376 306.4223 2.890826 313.4604 4.140809 -7.038025 
5.050067 
1 1 1 -9  -2  11 o 133.0524 1.785578  3639.607       97.75820 3352.313       
124.4460 4102.595       157.9799 126.3445 2.346095 139.7604 2.692395 -13.41596 
3.571156 
1 1 1 -9  -2  12 o 120.8085 1.934808  3084.696       94.58717 2993.260       
154.9494 3139.006       119.4187 119.3616 3.092049 122.2554 2.326620 -2.893745 
3.869616 
1 1 1 -9  -2  13 o 216.9451 3.652097  9947.716       297.0328 9816.774       
564.3368 9997.891       349.3376 215.8174 6.228349 218.0728 3.815617 -2.255386 
7.304195 
1 1 1 -9  -2  14 o 142.8888 3.407300  4292.167       204.4031 0.000000       
0.000000 4292.167       204.4031 ?        ?        142.8888 3.407300 ? ? 
1 1 1 -9  -2  15 o 315.2089 3.632107  21074.45       418.8803 20667.24       
825.1598 21215.80       486.1814 312.8300 6.282763 317.5877 3.646328 -4.757721 
7.264215 
1 1 1 -9  -2  16 o 209.6311 4.191200  9346.524       358.7655 9016.262       
573.3317 9559.072       459.9445 206.3980 6.616398 212.8642 5.146641 -6.466217 
8.382401 
1 1 1 -9  -2  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -2  18 o 128.5108 3.005871  3483.459       162.1233 3487.122       
226.4530 3479.606       232.2093 128.5882 4.194673 128.4335 4.306480 0.1546936 
6.011743 
1 1 1 -9  -2  19 f 86.73367 2.698859  1577.328       97.56693 1650.646       
148.4747 1521.608       129.4371 88.48179 3.996867 84.98557 3.627727 3.496223 
5.397717 
1 1 1 -9  -2  20 o 120.7919 3.333384  3072.411       167.0089 3137.640       
258.1183 3025.438       219.0370 121.8389 5.046076 119.7449 4.356938 2.094002 
6.666768 
1 1 1 -9  -2  21 f 75.72879 2.988821  1204.999       94.81509 1293.038       
139.8028 1130.015       129.0226 78.27666 4.254072 73.18093 4.199415 5.095726 
5.977643 
1 1 1 -9  -2  22 f 162.8854 3.222952  5601.325       219.3213 5712.324       
328.1623 5511.723       294.8408 164.2864 4.757822 161.4845 4.348886 2.801926 
6.445904 
1 1 1 -9  -2  23 o 130.7289 2.939513  3593.532       159.7002 3772.729       
246.3307 3463.602       209.7534 133.4606 4.396291 127.9973 3.903278 5.463348 
5.879027 
1 1 1 -9  -2  24 o 25.14469 6.094733  124.6339       78.13992 165.3186       
115.6646 90.47575       105.9822 27.61872 8.837658 22.67067 8.395170 4.948050 
12.18947 
1 1 1 -9  -2  25 o 86.08965 3.246907  1585.825       116.5936 1507.374       
172.3783 1651.982       158.2966 84.03508 4.885882 88.14422 4.277588 -4.109138 
6.493813 
1 1 1 -9  -2  26 o 149.8329 3.784037  4801.627       231.8480 4974.860       
375.3958 4694.801       294.7902 151.6008 5.898059 148.0650 4.742219 3.535767 
7.568074 
1 1 1 -9  -2  27 o 28.63244 5.732455  185.4291       71.58687 228.9194       
111.1575 154.6084       93.57583 31.24601 8.322230 26.01888 7.885723 5.227131 
11.46491 
1 1 1 -9  -2  28 o 48.49149 4.256128  514.5393       86.26965 581.3005       
128.7007 460.0667       116.2540 51.34265 5.970676 45.64033 6.067086 5.702324 
8.512257 
1 1 1 -9  -2  29 o 25.64774 6.114907  153.4756       78.21381 141.4073       
114.0823 164.1793       107.4385 24.97901 8.766578 26.31647 8.527335 -1.337456 
12.22981 
1 1 1 -9  -2  30 o 31.51566 5.837468  246.6723       78.18690 237.5429       
113.5754 254.8963       107.7967 30.83864 8.502605 32.19268 8.000614 -1.354042 
11.67494 
1 1 1 -9  -2  31 f 45.47141 4.356469  477.3889       82.49466 437.3037       
120.5248 512.7209       113.1539 43.36396 6.620158 47.57887 5.664696 -4.214901 
8.712937 
1 1 1 -9  -2  32 f 18.25818 5.462216  -2.137696      78.79321 119.1375       
116.4100 -104.6749      107.0397 22.67955 8.697611 13.83682 6.610205 8.842731 
10.92443 
1 1 1 -9  -2  33 o 54.36250 4.190183  709.6055       94.69921 746.5470       
128.2734 665.3519       140.3959 56.47528 5.410026 52.24972 6.400169 4.225563 
8.380366 
1 1 1 -9  -1  1  o 196.0945 3.754688  8092.698       307.0781 8005.381       
460.1917 8162.784       412.2936 195.1227 5.617618 197.0662 4.983282 -1.943588 
7.509376 
1 1 1 -9  -1  2  o 234.9413 3.541592  11652.10       290.2754 11512.42       
614.2758 11692.26       329.3701 233.9442 6.254207 235.9383 3.325116 -1.994125 
7.083184 
1 1 1 -9  -1  3  o 160.2512 2.289115  5452.316       151.2736 5048.271       
232.1074 5750.670       199.4529 155.0246 3.566231 165.4779 2.870922 -10.45329 
4.578231 
1 1 1 -9  -1  4  f 276.6835 3.409869  16403.64       331.0967 15518.61       
687.1244 16671.27       377.8569 271.6317 6.025263 281.7354 3.194531 -10.10364 
6.819737 
1 1 1 -9  -1  5  o 410.0442 5.189996  36117.73       672.4669 34307.57       
1604.736 36503.32       740.6329 403.2859 9.477892 416.8026 4.232468 -13.51672 
10.37999 
1 1 1 -9  -1  6  o 104.5145 1.690206  2295.195       74.09164 2177.600       
104.7690 2412.845       104.7938 101.8339 2.450537 107.1951 2.328530 -5.361221 
3.380412 
1 1 1 -9  -1  7  o 27.86180 3.265227  166.3770       37.14051 174.7507       
50.94465 156.8774       54.26133 28.83805 4.207788 26.88555 4.994131 1.952499 
6.530454 
1 1 1 -9  -1  8  o 126.8755 1.822209  3372.563       96.80872 3278.230       
131.4812 3484.254       143.0679 124.9437 2.506515 128.8072 2.645594 -3.863548 
3.644418 
1 1 1 -9  -1  9  o 238.1264 2.644575  11919.79       262.8677 11855.14       
392.8579 11972.20       353.7175 237.5301 3.939470 238.7227 3.529261 -1.192627 
5.289150 
1 1 1 -9  -1  10 o 88.25043 1.820378  1618.113       66.80482 1758.175       
103.3064 1517.445       87.58157 91.49586 2.689346 85.00499 2.454084 6.490875 
3.640757 
1 1 1 -9  -1  11 o 201.9549 1.958053  8563.267       165.9681 8442.353       
231.2943 8691.606       238.2908 200.4867 2.747896 203.4230 2.790154 -2.936325 
3.916107 
1 1 1 -9  -1  12 o 179.6094 2.490133  6832.004       155.5001 6684.273       
329.8256 6874.228       176.3266 178.2980 4.406148 180.9208 2.321402 -2.622864 
4.980266 
1 1 1 -9  -1  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  -1  14 o 132.3935 2.545596  3696.387       138.4931 3628.961       
218.5751 3741.615       179.0136 131.3602 3.963310 133.4268 3.195685 -2.066620 
5.091192 
1 1 1 -9  -1  15 o 126.0700 2.331501  3349.629       122.5780 3268.177       
183.0723 3415.819       165.0311 124.6651 3.497831 127.4750 3.083627 -2.809875 
4.663001 
1 1 1 -9  -1  16 o 238.1329 3.215760  11471.50       264.2545 12794.44       
584.2697 11131.28       296.2910 246.1823 5.652983 230.0835 3.067284 16.09879 
6.431520 
1 1 1 -9  -1  17 o 141.2043 2.790115  3940.863       125.1809 4605.294       
311.9193 3813.304       136.6700 147.7134 5.029714 134.6952 2.416807 13.01820 
5.580231 
1 1 1 -9  -1  18 o 87.21819 3.561340  1602.005       130.4066 0.000000       
0.000000 1602.005       130.4066 ?        ?        87.21819 3.561340 ? ? 
1 1 1 -9  -1  19 o 81.67226 2.709618  1410.675       92.47582 1347.326       
135.6616 1465.662       126.3911 79.93507 4.042414 83.40945 3.609294 -3.474380 
5.419236 
1 1 1 -9  -1  20 o 92.86362 2.985612  1816.801       116.3312 1753.069       
161.2114 1886.043       168.0350 91.16752 4.211887 94.55971 4.232673 -3.392189 
5.971224 
1 1 1 -9  -1  21 o 79.78212 3.057697  1332.259       101.6668 1430.548       
155.3772 1258.673       134.4415 82.31732 4.495906 77.24691 4.145465 5.070412 
6.115395 
1 1 1 -9  -1  22 o 62.38905 3.429534  832.7527       88.80243 720.9078       
129.2416 932.7802       122.2233 58.33120 5.277430 66.44691 4.381273 -8.115707 
6.859068 
1 1 1 -9  -1  23 o 48.40789 3.880733  504.2163       77.85709 447.0703       
115.2735 552.1531       105.5774 45.79556 5.995526 51.02022 4.928897 -5.224655 
7.761467 
1 1 1 -9  -1  24 o 85.67291 2.996483  1550.325       107.3274 1612.595       
160.4917 1499.948       144.3551 87.19473 4.384131 84.15109 4.085955 3.043633 
5.992965 
1 1 1 -9  -1  25 o 122.1904 3.231670  3126.610       158.1714 3345.385       
271.2130 3013.846       194.7135 125.1500 5.161793 119.2308 3.889813 5.919235 
6.463339 
1 1 1 -9  -1  26 o 167.7174 3.994509  6073.976       280.5707 6395.702       
391.0774 5732.752       402.7540 172.4896 5.400338 162.9453 5.887339 9.544266 
7.989018 
1 1 1 -9  -1  27 o 54.51340 3.596265  641.4136       82.13106 592.1394       
115.7924 691.3027       116.5127 52.35159 5.268309 56.67522 4.896673 -4.323631 
7.192529 
1 1 1 -9  -1  28 f 86.37049 3.132538  1607.045       113.5388 1571.542       
161.7095 1641.562       159.4505 85.38933 4.510794 87.35165 4.347864 -1.962326 
6.265076 
1 1 1 -9  -1  29 o 21.68055 5.840612  64.01955       76.28061 160.6711       
120.9043 0.1052259      98.31877 26.36843 9.046667 16.99266 7.389779 9.375776 
11.68122 
1 1 1 -9  -1  30 o 25.28908 6.014122  146.5753       75.42823 189.6169       
115.4763 114.5451       99.61575 27.76670 8.824959 22.81147 8.173052 4.955227 
12.02824 
1 1 1 -9  -1  31 o 50.22601 4.065488  574.2705       84.59949 537.3946       
127.4636 603.3054       113.1031 48.43675 6.268047 52.01525 5.179225 -3.578503 
8.130977 
1 1 1 -9  -1  32 o 25.32237 6.031873  164.4914       76.95656 130.6302       
120.0186 188.1336       100.2862 23.55907 8.890357 27.08567 8.154479 -3.526598 
12.06375 
1 1 1 -9  -1  33 o 24.42831 6.077564  161.2477       79.16477 119.1339       
120.7033 193.0379       104.8706 22.25993 8.780293 26.59668 8.405568 -4.336752 
12.15513 
1 1 1 -9  -1  34 o 79.88304 3.788329  1507.544       125.6814 1477.139       
190.2133 1531.104       167.4378 78.45764 5.774663 81.30844 4.904999 -2.850800 
7.576658 
1 1 1 -9  0   1  o 200.2018 3.163316  8490.623       257.7284 8712.585       
328.8574 8137.256       414.9356 203.6481 3.846347 196.7555 5.023135 6.892578 
6.326632 
1 1 1 -9  0   2  o 161.8704 2.585344  5461.340       152.5960 5590.573       
305.5978 5418.416       176.1248 163.1082 4.462679 160.6326 2.611608 2.475601 
5.170687 
1 1 1 -9  0   3  o 229.2971 3.199464  11203.80       281.5677 10663.20       
509.7149 11441.21       337.7822 225.2083 5.390934 233.3858 3.447335 -8.177444 
6.398928 
1 1 1 -9  0   4  o 268.2674 2.731601  15323.80       272.4699 14677.39       
520.6540 15567.60       319.7497 264.2675 4.692739 272.2672 2.797280 -7.999634 
5.463202 
1 1 1 -9  0   5  o 192.4785 1.937610  7687.544       148.1904 7501.133       
181.1719 8064.391       257.5956 189.0068 2.283150 195.9501 3.131222 -6.943329 
3.875220 
1 1 1 -9  0   6  o 35.13699 2.642070  262.9421       38.37632 214.8760       
55.16080 308.0314       53.42541 31.97914 4.108515 38.29485 3.322986 -6.315712 
5.284140 
1 1 1 -9  0   7  o 87.71049 1.732226  1594.268       63.36222 1420.555       
84.05267 1822.923       96.43312 82.24914 2.434116 93.17184 2.465259 -10.92270 
3.464451 
1 1 1 -9  0   8  o 535.0936 3.547240  60119.72       790.0323 59636.31       
1048.615 60754.32       1201.467 532.6591 4.689082 537.5282 5.323922 -4.869080 
7.094479 
1 1 1 -9  0   9  o 391.7997 3.851572  32156.59       602.9000 32693.56       
1028.420 31875.41       744.1942 394.1736 6.214467 389.4258 4.551794 4.747742 
7.703144 
1 1 1 -9  0   10 o 115.3271 1.738174  2787.281       83.13375 2756.565       
109.0773 2829.853       128.4127 114.5740 2.267616 116.0801 2.634942 -1.506187 
3.476349 
1 1 1 -9  0   11 o 152.8396 2.531658  4921.515       155.3699 4862.491       
260.3154 4954.176       193.6433 152.1048 4.076410 153.5745 3.003340 -1.469635 
5.063316 
1 1 1 -9  0   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  0   13 o 173.3466 3.052524  6234.741       209.6304 6571.703       
366.9579 6071.504       255.4085 176.7288 4.945725 169.9644 3.579304 6.764435 
6.105048 
1 1 1 -9  0   14 o 212.6891 2.960316  9553.330       242.7664 9417.231       
439.9188 9612.926       291.1051 211.5109 4.954056 213.8672 3.242101 -2.356354 
5.920633 
1 1 1 -9  0   15 o 56.51810 2.347207  678.0463       55.11276 612.5906       
81.49409 733.2136       74.81586 53.97274 3.596440 59.06346 3.017143 -5.090725 
4.694415 
1 1 1 -9  0   16 o 121.4142 2.315269  3075.312       113.6045 3190.626       
189.7924 3010.928       141.8162 123.1453 3.670980 119.6830 2.822373 3.462273 
4.630538 
1 1 1 -9  0   17 o 115.9356 2.267034  2787.380       99.54727 2920.438       
188.7728 2736.126       117.1620 117.7737 3.817791 114.0975 2.445861 3.676231 
4.534067 
1 1 1 -9  0   18 o 213.8881 3.724255  9681.146       307.6777 9636.932       
556.8239 9700.580       369.1508 213.2504 6.219408 214.5258 4.098693 -1.275360 
7.448511 
1 1 1 -9  0   19 o 205.4196 5.273926  8989.654       449.0753 9010.992       
692.3171 8974.155       590.0484 205.3858 8.028895 205.4535 6.840616 
-0.6771851E-01 10.54785 
1 1 1 -9  0   20 o 92.47300 3.945201  1802.603       153.1662 1802.603       
153.1662 0.000000       0.000000 92.47300 3.945201 ?        ?        ? ? 
1 1 1 -9  0   21 o 23.56488 5.756032  100.8604       69.31622 147.2703       
107.4450 67.77468       90.71962 26.51440 8.521234 20.61535 7.740557 5.899050 
11.51206 
1 1 1 -9  0   22 o 38.79453 4.586401  322.3896       73.00334 354.7874       
108.7120 295.7802       98.52297 40.85482 6.338047 36.73424 6.630946 4.120579 
9.172801 
1 1 1 -9  0   23 o 133.6721 3.347857  3783.401       187.8522 3709.096       
262.9039 3860.908       268.5111 132.3322 4.732084 135.0119 4.737085 -2.679718 
6.695714 
1 1 1 -9  0   24 o 61.23654 3.385789  788.2717       86.31120 857.0822       
132.8010 737.9489       113.5681 63.49753 4.981562 58.97556 4.586754 4.521969 
6.771578 
1 1 1 -9  0   25 o 50.05314 3.860240  545.7560       79.46825 441.3583       
115.8520 638.5295       109.2119 45.33547 6.086762 54.77081 4.749434 -9.435345 
7.720479 
1 1 1 -9  0   26 o 33.96981 5.449801  261.8747       76.02989 285.3895       
110.3019 240.5892       104.9431 35.45438 7.628891 32.48523 7.784687 2.969147 
10.89960 
1 1 1 -9  0   27 o 23.65193 5.021437  80.40574       72.45438 -101.8429      
104.5577 248.7662       100.4949 14.36168 6.744342 32.94217 7.441315 -18.58049 
10.04287 
1 1 1 -9  0   28 o 151.9511 3.377192  4977.261       215.3094 5210.246       
310.4960 4761.459       298.8262 155.3866 4.759524 148.5157 4.792560 6.870941 
6.754384 
1 1 1 -9  0   29 o 42.20376 4.754074  408.5740       80.15545 304.5499       
112.1706 517.1180       114.5817 35.93436 7.661861 48.47315 5.630344 -12.53879 
9.508148 
1 1 1 -9  0   30 o 72.58293 3.357726  1157.940       100.3412 1117.999       
156.2886 1185.948       130.8770 71.20483 5.228039 73.96103 4.214844 -2.756203 
6.715453 
1 1 1 -9  0   31 o 59.26314 3.691347  784.1193       91.36914 746.5822       
133.9237 816.8056       124.9713 57.72993 5.525574 60.79634 4.896141 -3.066402 
7.382694 
1 1 1 -9  0   32 o 24.14238 5.986557  141.6317       77.00838 96.10359       
114.3027 179.4735       104.2085 21.73722 8.553766 26.54753 8.377861 -4.810312 
11.97311 
1 1 1 -9  0   33 o 23.87614 5.864427  134.6792       82.57654 12.29140       
122.8524 235.5452       111.5288 18.18136 8.062251 29.57092 8.518575 -11.38956 
11.72885 
1 1 1 -9  0   34 o 79.01549 3.610283  1382.436       115.3721 1734.882       
197.9525 1201.125       141.9797 85.62790 5.506388 72.40308 4.670788 13.22482 
7.220566 
1 1 1 -9  1   1  o 365.8857 5.638383  28310.13       784.5965 27926.62       
1455.659 28467.18       931.4847 363.8701 9.528719 367.9012 6.030670 -4.031128 
11.27677 
1 1 1 -9  1   2  o 293.0063 2.960744  17828.21       328.7726 18527.38       
621.7286 17556.81       387.3638 296.8906 4.987989 289.1220 3.191236 7.768585 
5.921489 
1 1 1 -9  1   3  o 360.5601 3.069508  27291.40       464.2178 26749.51       
640.4078 27891.42       673.8765 356.7975 4.275194 364.3226 4.405704 -7.525024 
6.139015 
1 1 1 -9  1   4  o 283.5225 2.389823  16521.82       261.9256 15984.72       
311.8076 17809.35       482.7674 275.8947 2.691934 291.1504 3.949495 -15.25571 
4.779646 
1 1 1 -9  1   5  o 160.3550 1.658673  5334.300       110.1510 5030.251       
142.7609 5781.605       173.1564 154.7794 2.196934 165.9306 2.485610 -11.15121 
3.317345 
1 1 1 -9  1   6  o 80.50681 1.671803  1361.620       56.47493 1313.902       
80.06548 1408.868       79.67120 79.10191 2.410901 81.91172 2.316735 -2.809814 
3.343607 
1 1 1 -9  1   7  o 576.1782 6.736757  69920.05       1615.526 69085.96       
2142.278 71019.83       2459.911 572.3860 8.914724 579.9704 10.10264 -7.584351 
13.47351 
1 1 1 -9  1   8  o 144.5300 2.186620  4369.228       132.2803 4613.667       
196.5613 4166.883       178.8375 148.2077 3.158990 140.8523 3.024236 7.355377 
4.373240 
1 1 1 -9  1   9  o 325.7094 2.898448  22054.01       382.1789 21423.59       
477.3914 23179.11       637.7548 319.3386 3.560772 332.0802 4.574375 -12.74158 
5.796896 
1 1 1 -9  1   10 o 490.5378 7.029989  50565.06       1328.838 51535.52       
2429.265 50150.69       1587.384 493.2571 11.73067 487.8184 7.750772 5.438782 
14.05998 
1 1 1 -9  1   11 o 184.5671 5.059855  7163.999       392.0771 7163.999       
392.0771 0.000000       0.000000 184.5671 5.059855 ?        ?        ? ? 
1 1 1 -9  1   12 o 286.9955 6.747653  17395.00       753.8000 17479.82       
1348.474 17356.45       909.1062 287.1090 11.18708 286.8819 7.548013 0.2271729 
13.49531 
1 1 1 -9  1   13 o 69.08029 2.127819  992.6440       60.13874 1045.981       
97.72688 960.1353       76.29553 70.55310 3.299279 67.60748 2.687976 2.945618 
4.255638 
1 1 1 -9  1   14 o 184.5941 2.834491  7053.536       187.5493 7381.676       
387.2491 6952.982       214.3677 187.2716 4.925378 181.9165 2.806779 5.355026 
5.668982 
1 1 1 -9  1   15 o 165.2988 2.660090  5647.386       165.9285 5972.775       
317.2791 5524.888       194.6720 168.4538 4.486232 162.1438 2.859725 6.310028 
5.320179 
1 1 1 -9  1   16 o 55.61923 2.487929  661.5199       57.07692 573.3881       
85.34502 732.8348       76.77183 52.19933 3.894344 59.03914 3.097297 -6.839813 
4.975859 
1 1 1 -9  1   17 o 137.6390 2.771013  4027.658       153.7252 3846.732       
253.0188 4133.523       193.5427 135.1032 4.460754 140.1749 3.288726 -5.071655 
5.542025 
1 1 1 -9  1   18 o 142.3521 2.813725  4175.042       158.7032 4553.842       
279.7580 3995.292       192.7132 146.9274 4.535244 137.7769 3.331627 9.150574 
5.627449 
1 1 1 -9  1   19 o 244.5970 3.366556  12665.39       335.2747 12511.94       
543.3253 12759.75       426.0698 243.2126 5.321019 245.9814 4.125719 -2.768707 
6.733112 
1 1 1 -9  1   20 o 145.1941 3.605903  4474.252       218.5129 4267.782       
322.5802 4649.328       297.0446 142.0225 5.410054 148.3657 4.768801 -6.343155 
7.211806 
1 1 1 -9  1   21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  1   22 o 132.5490 3.211786  3717.688       177.5284 3650.531       
265.6460 3771.886       238.6449 131.4148 4.814821 133.6832 4.252031 -2.268417 
6.423572 
1 1 1 -9  1   23 o 94.28314 3.006486  1894.586       117.1459 1780.208       
179.2216 1979.905       154.7895 91.71416 4.654521 96.85212 3.806741 -5.137955 
6.012972 
1 1 1 -9  1   24 o 71.80334 3.259955  1081.475       96.50587 1154.986       
153.6501 1033.582       124.0209 73.73843 4.963181 69.86825 4.228010 3.870186 
6.519911 
1 1 1 -9  1   25 o 57.97606 3.525332  707.4668       85.27287 797.0446       
129.6439 639.1619       113.2082 61.16175 5.048860 54.79036 4.921471 6.371384 
7.050664 
1 1 1 -9  1   26 o 20.12756 5.616177  44.92365       71.27071 95.09264       
106.5928 4.361192       95.84563 22.84995 8.427754 17.40516 7.425545 5.444792 
11.23235 
1 1 1 -9  1   27 o 68.48405 3.276031  1008.827       93.55104 953.5868       
138.2251 1055.517       127.0789 66.65510 4.939403 70.31300 4.304860 -3.657898 
6.552063 
1 1 1 -9  1   28 o 26.86482 6.013331  163.8777       76.15891 184.4980       
110.3446 145.1189       105.2461 28.20263 8.566305 25.52702 8.441506 2.675608 
12.02666 
1 1 1 -9  1   29 o 121.9821 3.678170  3207.648       184.1369 3425.558       
296.9309 3071.483       234.7199 124.8833 5.663333 119.0808 4.694932 5.802521 
7.356339 
1 1 1 -9  1   30 o 75.65025 3.307438  1247.807       104.4897 1243.739       
155.7028 1251.141       140.9392 75.38969 4.919325 75.91080 4.422311 
-0.5211182     6.614877 
1 1 1 -9  1   31 o 41.59869 4.878717  404.2176       83.15343 383.6118       
119.0707 423.8336       116.1761 40.08878 7.348652 43.10859 6.419099 -3.019802 
9.757434 
1 1 1 -9  1   32 o 43.59823 5.016287  451.5922       89.59838 408.2131       
123.6703 499.5165       129.9882 40.92751 7.474889 46.26895 6.691681 -5.341446 
10.03257 
1 1 1 -9  1   33 f 16.99694 5.297682  -28.45811      81.24131 -154.2530      
121.2701 73.96437       109.4258 13.82812 6.700457 20.16576 8.207656 -6.337646 
10.59536 
1 1 1 -9  1   34 o 52.03817 4.313183  664.2803       91.24871 576.6006       
140.0615 728.9386       120.2766 47.99230 6.951335 56.08405 5.108143 -8.091747 
8.626366 
1 1 1 -9  2   1  o 241.3486 3.902116  12097.75       340.5527 12542.45       
692.5867 11955.95       391.0990 244.1405 6.757023 238.5566 3.904957 5.583908 
7.804233 
1 1 1 -9  2   2  o 213.5598 2.367488  9608.678       209.7980 9382.029       
320.1720 9779.222       277.7318 211.3358 3.608539 215.7838 3.065688 -4.447998 
4.734976 
1 1 1 -9  2   3  o 375.5656 4.151949  29498.19       652.6719 27543.17       
882.1473 31862.73       970.1510 361.9011 5.805937 389.2302 5.936820 -27.32910 
8.303899 
1 1 1 -9  2   4  o 303.5730 4.516136  19535.66       464.6772 19137.59       
1020.602 19639.76       521.9102 301.4083 8.065331 305.7378 4.066003 -4.329529 
9.032272 
1 1 1 -9  2   5  o 151.1146 2.003201  4804.248       126.7618 4658.090       
184.3530 4935.324       174.5822 148.9279 2.948461 153.3013 2.712534 -4.373398 
4.006403 
1 1 1 -9  2   6  o 439.9798 2.972562  40474.23       544.3596 39215.13       
719.0565 42164.69       833.1692 432.0278 3.964354 447.9318 4.430395 -15.90396 
5.945124 
1 1 1 -9  2   7  o 420.8718 4.605693  37336.04       809.9210 36600.64       
1199.184 37952.86       1098.261 417.0006 6.849676 424.7430 6.158862 -7.742401 
9.211387 
1 1 1 -9  2   8  f 176.5218 2.401061  6534.344       177.7902 6249.988       
245.5196 6847.846       257.7960 172.4912 3.390317 180.5525 3.400900 -8.061264 
4.802121 
1 1 1 -9  2   9  o 84.68816 2.084857  1514.349       73.09085 1455.853       
112.0129 1557.724       96.45518 83.25222 3.204744 86.12411 2.667607 -2.871887 
4.169714 
1 1 1 -9  2   10 o 244.4419 5.496315  12475.69       537.7907 12978.92       
918.4337 12213.12       663.4193 248.0187 8.820322 240.8651 6.560475 7.153625 
10.99263 
1 1 1 -9  2   11 f 406.9296 5.958847  35157.64       970.5793 34197.51       
1630.054 35685.01       1208.076 402.2763 9.651586 411.5829 6.991303 -9.306549 
11.91769 
1 1 1 -9  2   12 o 446.4886 6.783474  42045.62       1140.255 42417.18       
2162.074 41902.46       1342.070 447.1225 11.51768 445.8547 7.169732 1.267792 
13.56695 
1 1 1 -9  2   13 o 143.8303 2.248801  4350.945       129.6402 4332.286       
218.5047 4361.082       161.0484 143.5719 3.625038 144.0887 2.662242 
-0.5167999     4.497603 
1 1 1 -9  2   14 o 123.8512 2.047672  3166.504       100.7955 3395.847       
175.9680 3054.508       122.9677 127.1137 3.297331 120.5887 2.428878 6.525002 
4.095343 
1 1 1 -9  2   15 o 25.10991 4.511806  133.4534       46.95112 164.9541       
75.45191 113.5484       59.97796 27.40617 6.621888 22.81365 6.129940 4.592522 
9.023612 
1 1 1 -9  2   16 o 71.09201 2.150278  1069.640       63.11758 1020.742       
97.36951 1105.078       82.89164 69.67093 3.328836 72.51310 2.722797 -2.842171 
4.300555 
1 1 1 -9  2   17 o 333.1813 5.632431  23489.82       713.7561 23823.21       
1331.615 23355.42       845.4694 333.9828 9.496759 332.3798 6.058768 1.603058 
11.26486 
1 1 1 -9  2   18 o 131.5882 2.628556  3573.057       138.1509 3881.867       
239.3093 3418.701       169.1907 135.7083 4.200242 127.4681 3.161520 8.240135 
5.257113 
1 1 1 -9  2   19 o 130.3196 2.247612  3572.382       117.6568 3582.528       
197.6794 3566.816       146.4149 130.4121 3.610477 130.2272 2.677963 0.1849365 
4.495223 
1 1 1 -9  2   20 o 173.1889 2.873422  6425.579       193.7699 6050.031       
340.6880 6605.157       235.5856 169.2359 4.794965 177.1420 3.167730 -7.906158 
5.746843 
1 1 1 -9  2   21 o 187.3651 4.070014  7321.987       283.4034 7680.987       
553.7094 7194.559       329.8885 190.0517 6.939547 184.6784 4.254730 5.373291 
8.140027 
1 1 1 -9  2   22 o 94.00069 3.890530  1863.073       153.5390 0.000000       
0.000000 1863.073       153.5390 ?        ?        94.00069 3.890530 ? ? 
1 1 1 -9  2   23 o 134.2911 3.287505  3823.822       184.5158 3714.601       
271.9393 3917.006       251.1842 132.4547 4.890187 136.1274 4.395090 -3.672684 
6.575009 
1 1 1 -9  2   24 o 102.1026 2.954659  2213.602       126.1766 2087.020       
183.0702 2328.143       174.1455 99.26968 4.392605 104.9355 3.952855 -5.665825 
5.909318 
1 1 1 -9  2   25 o 77.84887 3.077405  1279.604       100.3154 1374.292       
148.5891 1200.302       135.9826 80.47365 4.397990 75.22409 4.305736 5.249557 
6.154809 
1 1 1 -9  2   26 o 45.96076 4.193500  447.6219       80.31309 526.3613       
121.9569 387.3267       106.7214 49.48919 5.869718 42.43234 5.990674 7.056850 
8.387000 
1 1 1 -9  2   27 o 57.63586 3.498059  700.1496       83.73274 795.1118       
130.6472 633.9508       109.0812 60.85509 5.113573 54.41662 4.774626 6.438465 
6.996119 
1 1 1 -9  2   28 o 38.09535 5.275527  339.4399       81.21045 261.0950       
121.9426 401.8815       108.8647 33.29599 8.647620 42.89471 6.045112 -9.598728 
10.55105 
1 1 1 -9  2   29 f 83.27983 3.230355  1493.524       112.6598 1554.603       
166.5024 1441.949       153.0024 84.78973 4.677334 81.76993 4.456827 3.019806 
6.460709 
1 1 1 -9  2   30 o 41.42672 4.963706  398.1828       82.75454 370.5686       
126.2313 418.9961       109.5902 39.47428 7.895815 43.37916 6.017440 -3.904881 
9.927411 
1 1 1 -9  2   31 o 78.62563 3.380799  1356.641       110.6979 1363.468       
167.4836 1351.344       147.5123 78.58087 5.076641 78.67039 4.466199 
-0.8951569E-01 6.761599 
1 1 1 -9  2   32 o 50.87195 4.302627  590.8013       91.53432 595.9396       
135.6177 586.5021       124.0523 50.89324 6.347127 50.85065 5.810710 
0.4258728E-01  8.605253 
1 1 1 -9  2   33 o 30.34060 6.290915  241.8757       85.17598 289.3681       
128.6740 204.8350       113.6367 32.82524 9.050054 27.85596 8.740652 4.969284 
12.58183 
1 1 1 -9  2   34 o 58.32489 4.043793  798.0717       97.25762 819.3558       
152.7092 783.5469       126.1510 58.38267 6.230206 58.26710 5.156894 0.1155701 
8.087585 
1 1 1 -9  3   1  o 317.8318 2.974703  21056.16       367.8848 21674.88       
662.9676 20780.88       442.2155 321.1231 4.917471 314.5404 3.348717 6.582703 
5.949406 
1 1 1 -9  3   2  o 406.0037 6.410309  34673.21       1010.968 34975.07       
1817.765 34538.03       1216.458 406.9417 10.63963 405.0657 7.153077 1.875977 
12.82062 
1 1 1 -9  3   3  o 89.53479 2.302620  1707.518       81.71529 1610.241       
138.9721 1758.923       101.0249 87.54926 3.780910 91.52032 2.629252 -3.971062 
4.605241 
1 1 1 -9  3   4  o 340.0437 3.697453  24322.31       446.9519 24284.07       
923.3375 24334.01       510.7823 339.7337 6.473556 340.3537 3.574591 
-0.6200256     7.394906 
1 1 1 -9  3   5  o 172.1576 1.841352  6211.756       132.9483 5956.475       
182.9734 6497.263       193.5027 168.4184 2.587733 175.8969 2.620294 -7.478455 
3.682703 
1 1 1 -9  3   6  o 393.9558 4.614548  32503.74       748.5366 31890.17       
964.0425 33435.23       1187.830 389.3831 5.897123 398.5285 7.099307 -9.145386 
9.229096 
1 1 1 -9  3   7  o 95.15779 1.695646  1901.391       67.41138 1901.932       
100.4240 1900.947       90.94711 95.16856 2.513420 95.14703 2.276747 
0.2152252E-01  3.391291 
1 1 1 -9  3   8  o 361.5109 5.766660  27195.30       782.3779 28323.55       
1503.520 26776.36       916.1928 366.2726 9.777458 356.7493 6.117090 9.523285 
11.53332 
1 1 1 -9  3   9  o 163.5270 2.741042  5670.179       186.1211 5192.820       
277.3409 6061.319       251.0486 157.1943 4.202409 169.8597 3.520371 -12.66542 
5.482085 
1 1 1 -9  3   10 o 421.1609 5.418634  37307.29       958.1133 0.000000       
0.000000 37307.29       958.1133 ?        ?        421.1609 5.418634 ? ? 
1 1 1 -9  3   11 o 209.0838 2.946886  9152.259       234.0967 9273.214       
438.1181 9103.927       276.9456 209.9912 4.969481 208.1764 3.168722 1.814850 
5.893771 
1 1 1 -9  3   12 o 131.6575 2.395262  3568.565       123.6917 3846.371       
221.9221 3443.370       148.9782 135.2791 3.907427 128.0358 2.771485 7.243347 
4.790523 
1 1 1 -9  3   13 o 247.8468 3.006362  12678.94       283.2999 13476.02       
535.6107 12369.33       333.8178 253.0710 5.041130 242.6226 3.277173 10.44843 
6.012724 
1 1 1 -9  3   14 o 164.7159 2.694390  5717.148       168.0121 5674.701       
314.6972 5734.071       198.6999 164.2307 4.564146 165.2011 2.864876 
-0.9703369     5.388779 
1 1 1 -9  3   15 o 206.8637 2.578720  8943.879       196.7345 9112.918       
386.7064 8884.852       228.5172 208.0898 4.426410 205.6376 2.646899 2.452164 
5.157439 
1 1 1 -9  3   16 o 244.8461 2.789769  12565.39       267.5593 12753.96       
474.5468 12477.50       323.9620 246.0812 4.593268 243.6110 3.167512 2.470200 
5.579538 
1 1 1 -9  3   17 o 163.1229 2.381219  5507.776       142.9525 5785.275       
283.9644 5413.578       165.4459 165.7483 4.080711 160.4975 2.455324 5.250824 
4.762438 
1 1 1 -9  3   18 o 105.2965 2.353388  2288.445       99.43092 2483.620       
170.4902 2187.842       122.4030 108.5984 3.739358 101.9946 2.858485 6.603767 
4.706776 
1 1 1 -9  3   19 o 190.4823 2.707820  7536.817       186.3192 7861.215       
379.9108 7434.083       213.7960 192.9594 4.689611 188.0052 2.708636 4.954117 
5.415641 
1 1 1 -9  3   20 o 128.7245 2.276489  3527.286       118.8356 3331.392       
192.1762 3648.568       151.2118 125.7475 3.640168 131.7016 2.734738 -5.954117 
4.552979 
1 1 1 -9  3   21 o 75.80695 2.434211  1169.387       74.17261 1349.475       
128.1110 1078.581       90.97049 80.02165 3.813292 71.59223 3.026605 8.429420 
4.868422 
1 1 1 -9  3   22 o 103.1757 2.321579  2204.316       97.53071 2390.949       
161.4445 2097.061       122.3878 106.5242 3.609909 99.82725 2.920184 6.696938 
4.643158 
1 1 1 -9  3   23 o 224.3080 4.597474  10721.54       432.7420 10488.90       
617.0549 10946.69       607.0471 221.8506 6.624975 226.7655 6.376266 -4.914917 
9.194948 
1 1 1 -9  3   24 o 163.1730 4.686376  5643.481       321.0439 5643.481       
321.0439 0.000000       0.000000 163.1730 4.686376 ?        ?        ? ? 
1 1 1 -9  3   25 o 32.64584 5.603053  232.9478       77.42918 330.5536       
117.0226 156.9414       103.2659 38.48333 7.510951 26.80835 8.316395 11.67497 
11.20611 
1 1 1 -9  3   26 o 106.0017 3.037227  2376.926       134.4118 2485.693       
202.7907 2291.702       179.5060 108.1020 4.468231 103.9014 4.115083 4.200523 
6.074454 
1 1 1 -9  3   27 o 53.50809 3.782511  606.3403       84.17798 681.3416       
130.3841 552.7345       110.2292 56.26370 5.519725 50.75248 5.173217 5.511223 
7.565021 
1 1 1 -9  3   28 o 105.1686 3.394492  2385.235       148.8660 2312.623       
221.7639 2444.794       200.8439 103.5457 5.101285 106.7914 4.479643 -3.245651 
6.788984 
1 1 1 -9  3   29 o 74.65878 3.385168  1207.256       105.5974 1066.105       
148.2645 1352.566       150.4336 70.10538 5.037405 79.21217 4.523493 -9.106781 
6.770336 
1 1 1 -9  3   30 o 44.52087 4.775952  444.4091       87.51942 458.5385       
138.6559 435.0517       112.8379 44.81547 7.369389 44.22627 6.077088 0.5891953 
9.551905 
1 1 1 -9  3   31 o 60.02168 3.897290  801.3213       98.12281 771.3544       
139.5359 830.6364       138.0099 58.82602 5.649858 61.21733 5.369785 -2.391319 
7.794580 
1 1 1 -9  3   32 o 86.75768 3.331383  1649.385       120.7571 1774.283       
181.9334 1551.030       161.4485 89.55800 4.838706 83.95735 4.580326 5.600647 
6.662766 
1 1 1 -9  3   33 o 25.34742 6.423129  158.0135       90.62081 220.0616       
125.1533 89.62920       131.3883 28.74556 9.192492 21.94929 8.973541 6.796263 
12.84626 
1 1 1 -9  3   34 o 65.71317 3.783581  997.5805       104.2583 971.2587       
149.5825 1022.449       145.3938 64.69263 5.507404 66.73370 5.189454 -2.041077 
7.567162 
1 1 1 -9  3   35 o 54.77832 4.218073  722.3814       96.35977 756.1860       
145.8878 696.2202       128.3392 55.54894 6.255534 54.00769 5.660110 1.541245 
8.436146 
1 1 1 -9  4   1  f 434.0657 6.560643  39878.14       979.2117 39490.25       
2113.652 39984.14       1104.940 432.1306 11.65036 436.0008 6.036326 -3.870178 
13.12129 
1 1 1 -9  4   2  o 320.2537 4.950782  21776.34       564.3618 21230.31       
1156.406 21947.04       646.5911 317.3653 8.679049 323.1421 4.766036 -5.776794 
9.901565 
1 1 1 -9  4   3  o 277.9760 5.013897  16312.95       543.9651 16135.61       
965.0405 16395.54       658.5538 276.7225 8.306577 279.2295 5.617602 -2.506989 
10.02779 
1 1 1 -9  4   4  o 230.2104 3.457745  11347.78       316.2827 10473.90       
531.8859 11825.82       393.3918 223.1725 5.676738 237.2482 3.949512 -14.07564 
6.915490 
1 1 1 -9  4   5  o 276.9925 2.380293  15867.26       260.9513 15394.09       
317.3584 16854.99       458.5244 270.7430 2.791990 283.2421 3.855900 -12.49915 
4.760585 
1 1 1 -9  4   6  o 220.4151 2.870111  10063.62       241.2544 10552.62       
452.4138 9869.313       285.1872 224.0615 4.809387 216.7687 3.133679 7.292831 
5.740222 
1 1 1 -9  4   7  o 811.6038 11.24847  139121.6       3377.917 142939.3       
6605.242 137769.5       3930.813 816.2828 19.27388 806.9247 11.60300 9.358093 
22.49693 
1 1 1 -9  4   8  o 140.3365 3.103335  4097.991       177.4886 4306.851       
291.2821 3974.647       223.8438 143.1342 4.847207 137.5388 3.876511 5.595398 
6.206670 
1 1 1 -9  4   9  o 420.0661 7.634123  37178.93       1346.343 0.000000       
0.000000 37178.93       1346.343 ?        ?        420.0661 7.634123 ? ? 
1 1 1 -9  4   10 o 360.7787 5.459076  27047.86       762.8654 28433.48       
1392.562 26453.74       911.8641 367.0174 9.037512 354.5399 6.126128 12.47751 
10.91815 
1 1 1 -9  4   11 o 162.4415 2.359536  5265.138       121.4616 5976.151       
301.8338 5127.752       132.6784 168.6139 4.263789 156.2691 2.022311 12.34477 
4.719072 
1 1 1 -9  4   12 o 153.3602 2.367580  4886.458       131.7321 5051.727       
266.4411 4832.988       151.5509 155.0219 4.093823 151.6985 2.379570 3.323471 
4.735160 
1 1 1 -9  4   13 o 326.0271 4.516818  22296.47       586.5593 22723.97       
1007.342 22077.16       721.4880 328.1860 7.311021 323.8682 5.306179 4.317810 
9.033635 
1 1 1 -9  4   14 o 222.2735 2.917429  10461.57       261.6732 10128.73       
431.2006 10655.60       329.2241 219.3959 4.681359 225.1511 3.482881 -5.755157 
5.834859 
1 1 1 -9  4   15 o 83.74325 1.984649  1454.577       67.98195 1556.246       
110.8841 1393.346       86.05169 86.04903 3.069335 81.43747 2.516844 4.611557 
3.969297 
1 1 1 -9  4   16 o 62.18867 2.461477  825.0203       62.81425 752.2062       
97.35715 876.9467       82.21559 59.79004 3.878467 64.58730 3.031992 -4.797260 
4.922955 
1 1 1 -9  4   17 o 110.3458 2.158421  2530.929       94.22359 2648.358       
165.1319 2474.239       114.7346 112.1905 3.505871 108.5011 2.518729 3.689392 
4.316842 
1 1 1 -9  4   18 o 261.2166 3.116500  14292.78       276.9133 14548.50       
610.8134 14226.63       310.6737 262.3417 5.545776 260.0915 2.845113 2.250214 
6.233001 
1 1 1 -9  4   19 o 87.39049 2.280718  1603.101       80.99715 1625.140       
132.7843 1590.041       102.2164 87.83823 3.600678 86.94275 2.800323 0.8954849 
4.561435 
1 1 1 -9  4   20 o 121.1501 2.374002  3077.368       118.5462 3159.082       
187.4264 3022.880       153.0487 122.4513 3.645764 119.8489 3.041702 2.602402 
4.748004 
1 1 1 -9  4   21 o 98.26889 2.396536  2032.839       94.55692 2035.335       
158.9545 2031.473       117.6339 98.27125 3.852719 98.26653 2.851333 
0.4714966E-02  4.793073 
1 1 1 -9  4   22 o 170.7240 3.222328  6113.785       223.0888 6310.942       
369.1239 6000.328       280.0157 172.7540 5.089382 168.6939 3.953704 4.060135 
6.444655 
1 1 1 -9  4   23 o 57.00018 2.831008  696.3967       65.97857 633.6979       
103.2228 739.7081       85.79207 54.75757 4.490063 59.24279 3.449314 -4.485222 
5.662016 
1 1 1 -9  4   24 o 135.0557 3.021205  3857.007       171.2201 3799.718       
237.7432 3918.741       246.7939 134.0259 4.225132 136.0854 4.319605 -2.059479 
6.042411 
1 1 1 -9  4   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  4   26 o 56.91983 3.728539  688.2238       88.83527 753.6913       
131.7092 633.5840       120.3252 59.38662 5.282611 54.45303 5.263271 4.933586 
7.457078 
1 1 1 -9  4   27 o 103.8355 3.142306  2261.236       134.7098 2503.676       
214.7005 2103.828       172.9994 108.2441 4.724436 99.42689 4.144402 8.817177 
6.284613 
1 1 1 -9  4   28 o 44.60738 4.330309  436.0096       80.12336 416.2324       
121.3476 451.2966       106.6861 43.56293 6.634911 45.65184 5.566352 -2.088905 
8.660619 
1 1 1 -9  4   29 o 23.12719 5.948349  107.8899       75.23119 86.34039       
113.5814 124.7335       100.4167 22.26125 8.577776 23.99314 8.243370 -1.731890 
11.89670 
1 1 1 -9  4   30 o 66.34520 3.369249  953.6649       92.71711 976.9310       
143.2432 936.8890       121.6344 66.87277 5.102064 65.81763 4.401851 1.055145 
6.738497 
1 1 1 -9  4   31 o 27.36452 6.141996  172.6929       88.13773 56.89757       
126.9964 280.2941       122.4207 21.08227 8.745707 33.64677 8.626071 -12.56451 
12.28399 
1 1 1 -9  4   32 o 60.56898 3.817928  816.6454       96.77267 862.8997       
143.9987 778.5502       130.6827 62.03667 5.528806 59.10128 5.266745 2.935387 
7.635856 
1 1 1 -9  4   33 o 20.12162 5.998285  41.08803       89.13796 -22.57109      
124.4398 108.1742       127.7454 17.49540 7.916418 22.74785 9.013767 -5.252445 
11.99657 
1 1 1 -9  4   34 o 19.90927 5.972232  47.38284       89.25923 -17.05905      
124.4733 115.5991       128.0666 17.30200 7.861504 22.51654 8.992606 -5.214542 
11.94446 
1 1 1 -9  4   35 o 23.59389 6.063036  148.6255       87.33225 33.12489       
132.8685 236.4786       115.8801 18.72572 8.336714 28.46207 8.805727 -9.736343 
12.12607 
1 1 1 -9  5   1  o 137.7199 2.432812  4092.698       128.1580 3715.850       
230.3638 4261.612       154.2283 132.9835 4.126079 142.4563 2.578716 -9.472778 
4.865624 
1 1 1 -9  5   2  o 62.38319 2.097512  835.1700       53.60131 715.8679       
81.65539 925.5026       71.05309 58.37903 3.331571 66.38734 2.549287 -8.008305 
4.195024 
1 1 1 -9  5   3  o 79.66150 2.339011  1359.327       72.97049 1258.111       
126.3921 1409.931       89.36898 77.38377 3.890373 81.93923 2.597862 -4.555458 
4.678021 
1 1 1 -9  5   4  o 456.6468 3.600810  43796.42       689.3788 43091.83       
947.0694 44590.47       1005.401 452.7584 4.982374 460.5352 5.199931 -7.776764 
7.201620 
1 1 1 -9  5   5  o 100.9516 2.069479  2015.932       76.49250 2397.213       
157.4470 1898.135       87.51468 106.8254 3.510597 95.07774 2.192417 11.74767 
4.138959 
1 1 1 -9  5   6  o 142.0609 2.528248  4307.016       145.7116 3961.451       
233.5935 4527.122       186.4280 137.3071 4.052182 146.8148 3.024561 -9.507721 
5.056496 
1 1 1 -9  5   7  o 119.6875 3.063717  3026.256       153.1433 2768.752       
221.4332 3262.350       212.0275 114.7731 4.595404 124.6020 4.053110 -9.828873 
6.127433 
1 1 1 -9  5   8  o 224.2108 4.794707  10731.51       370.9780 10321.95       
791.2533 10846.91       420.0012 221.2443 8.518526 227.1774 4.403587 -5.933029 
9.589415 
1 1 1 -9  5   9  o 417.3849 5.013530  36937.53       851.7894 35654.55       
1373.012 37740.27       1086.049 411.2762 7.951731 423.4936 6.108346 -12.21738 
10.02706 
1 1 1 -9  5   10 o 203.6609 3.590132  8698.575       295.1519 8809.982       
491.6206 8635.789       369.0663 204.6281 5.722501 202.6938 4.336956 1.934296 
7.180265 
1 1 1 -9  5   11 o 184.0234 2.646924  7107.570       197.4993 7150.517       
325.0157 7082.429       248.6780 184.4381 4.197347 183.6087 3.226006 0.8294220 
5.293849 
1 1 1 -9  5   12 o 45.21753 2.778968  425.3738       52.31867 462.9159       
80.45064 397.8611       68.87115 46.92630 4.083516 43.50876 3.770350 3.417538 
5.557935 
1 1 1 -9  5   13 o 42.56168 3.178565  364.1896       55.35763 504.6529       
88.74023 274.7068       70.82868 48.98663 4.314833 36.13671 4.668545 12.84992 
6.357130 
1 1 1 -9  5   14 o 200.6999 3.387487  8479.669       269.0032 8471.239       
466.0403 8483.881       329.4203 200.5379 5.535388 200.8620 3.906374 
-0.3240814     6.774974 
1 1 1 -9  5   15 o 176.2841 3.097654  6565.028       215.9581 6465.907       
373.1468 6614.950       264.8148 175.2024 5.072952 177.3658 3.556261 -2.163391 
6.195307 
1 1 1 -9  5   16 o 233.3605 3.766493  11443.14       333.8972 11578.90       
624.5401 11388.81       395.1041 234.1022 6.354419 232.6188 4.045646 1.483490 
7.532987 
1 1 1 -9  5   17 o 131.5940 2.302283  3626.450       122.0439 3699.457       
204.6095 3586.130       152.0543 132.5807 3.675922 130.6073 2.773016 1.973465 
4.604565 
1 1 1 -9  5   18 o 48.81377 2.940898  508.2283       58.54758 475.1433       
93.03358 529.9234       75.33636 47.45739 4.669355 50.17015 3.576681 -2.712757 
5.881796 
1 1 1 -9  5   19 o 51.85281 2.776043  575.0448       58.82069 527.0087       
92.40114 607.7734       76.27055 49.97828 4.403694 53.72734 3.381292 -3.749058 
5.552085 
1 1 1 -9  5   20 o 211.3629 2.884990  9423.048       233.4785 9415.446       
429.5661 9426.233       278.1509 211.1042 4.846789 211.6215 3.130702 
-0.5172882     5.769979 
1 1 1 -9  5   21 o 77.61732 2.261660  1278.650       72.26812 1211.037       
112.2674 1326.491       94.43532 75.82767 3.526525 79.40697 2.832676 -3.579300 
4.523321 
1 1 1 -9  5   22 o 273.7411 4.254526  15981.74       440.2306 15679.79       
823.0375 16102.75       521.0294 271.3053 7.225743 276.1769 4.493617 -4.871613 
8.509051 
1 1 1 -9  5   23 o 117.0125 2.742530  2897.138       127.5346 2861.638       
218.3064 2915.531       157.1378 116.3715 4.468287 117.6536 3.181242 -1.282082 
5.485060 
1 1 1 -9  5   24 o 109.2039 2.432228  2533.478       110.2491 2384.082       
166.0936 2651.146       147.4056 106.2592 3.723124 112.1486 3.130699 -5.889427 
4.864456 
1 1 1 -9  5   25 o 50.20443 3.589132  532.9026       69.91145 545.2290       
126.2682 527.4535       83.95420 50.49340 5.956353 49.91546 4.006161 0.5779343 
7.178263 
1 1 1 -9  5   26 o 153.0457 4.239957  4972.864       272.4341 0.000000       
0.000000 4972.864       272.4341 ?        ?        153.0457 4.239957 ? ? 
1 1 1 -9  5   27 o 53.67612 3.932876  627.8809       87.25677 520.4222       
126.1392 726.4860       120.8313 49.07697 6.122003 58.27528 4.938738 -9.198315 
7.865752 
1 1 1 -9  5   28 o 57.73705 3.653451  722.3701       87.93024 673.3287       
129.3699 764.4779       119.8763 55.79936 5.522365 59.67475 4.784801 -3.875385 
7.306903 
1 1 1 -9  5   29 o 83.32974 3.374478  1500.369       117.2853 1483.113       
175.5086 1514.294       157.6567 82.75887 5.051320 83.90061 4.475776 -1.141739 
6.748956 
1 1 1 -9  5   30 o 81.64545 3.252654  1445.269       111.4103 1496.047       
156.7826 1393.474       158.3449 83.15466 4.490889 80.13624 4.706479 3.018417 
6.505307 
1 1 1 -9  5   31 o 37.48533 5.827808  342.8523       89.36656 307.5838       
128.4900 375.8990       124.3771 35.27117 8.716041 39.69948 7.738477 -4.428310 
11.65562 
1 1 1 -9  5   32 o 17.40919 5.524934  -21.06313      83.69647 -33.28877      
125.9256 -11.38843      112.0203 17.52652 7.945284 17.29187 7.679325 0.2346554 
11.04987 
1 1 1 -9  5   33 o 82.47398 3.583771  1524.168       122.1977 1507.169       
188.9131 1536.397       160.2340 81.60999 5.513658 83.33799 4.579654 -1.728004 
7.167542 
1 1 1 -9  5   34 o 32.11768 5.614555  266.1579       96.31793 30.05558       
139.1618 483.2643       133.4462 19.67897 8.671948 44.55638 7.133740 -24.87741 
11.22911 
1 1 1 -9  5   35 o 31.38819 6.366224  291.6758       90.66143 231.2350       
132.0762 345.5309       124.6731 27.63874 9.456473 35.13764 8.525863 -7.498901 
12.73245 
1 1 1 -9  6   1  o 237.4739 2.810553  11919.54       276.2260 11402.31       
423.0476 12303.93       364.6995 232.9363 4.325866 242.0114 3.589388 -9.075119 
5.621105 
1 1 1 -9  6   2  o 308.3817 5.276421  20218.26       648.5421 19407.91       
1095.366 20655.68       804.7619 303.4161 8.598875 313.3473 6.117339 -9.931183 
10.55284 
1 1 1 -9  6   3  o 516.4857 14.35478  57068.38       2327.604 57729.33       
5657.819 56933.73       2553.719 514.2526 26.20557 518.7189 11.72633 -4.466309 
28.70956 
1 1 1 -9  6   4  o 242.3101 6.395362  12323.46       479.9090 12474.71       
1192.893 12294.25       524.2015 242.8028 11.70224 241.8173 5.163354 0.9855194 
12.79072 
1 1 1 -9  6   5  o 371.3096 6.749084  28342.98       795.6607 30269.24       
1942.123 27954.47       872.2183 378.0487 12.23630 364.5704 5.698556 13.47827 
13.49817 
1 1 1 -9  6   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  6   7  o 125.0283 2.976819  3231.964       133.4675 3387.513       
275.5388 3184.278       152.5598 126.9269 5.170709 123.1297 2.951197 3.797165 
5.953637 
1 1 1 -9  6   8  o 543.7213 9.287158  62683.16       1894.920 62902.79       
3604.941 62599.30       2227.473 543.0289 15.81234 544.4136 9.745512 -1.384644 
18.57432 
1 1 1 -9  6   9  o 113.0681 2.401936  2660.179       110.4676 2787.403       
182.0784 2586.071       138.9655 115.1768 3.765428 110.9593 2.983074 4.217514 
4.803872 
1 1 1 -9  6   10 o 262.8159 3.882093  14346.08       374.4478 14914.33       
745.1367 14154.11       433.1058 266.1152 6.669409 259.5166 3.975118 6.598602 
7.764186 
1 1 1 -9  6   11 o 250.2547 3.357474  13078.44       328.4607 13422.22       
586.3704 12921.24       396.5073 252.5536 5.530182 247.9557 3.808887 4.597916 
6.714948 
1 1 1 -9  6   12 o 205.6254 3.548873  8925.401       288.0266 8808.224       
499.8946 8983.633       352.4008 204.5317 5.821555 206.7191 4.060480 -2.187454 
7.097746 
1 1 1 -9  6   13 o 446.3406 5.187678  41266.59       797.5807 43431.41       
1743.244 40693.46       896.9686 452.9215 9.167610 439.7597 4.858284 13.16183 
10.37536 
1 1 1 -9  6   14 o 164.1812 2.176010  5621.485       133.0721 5758.557       
257.9059 5571.753       155.3481 165.4931 3.711952 162.8694 2.271892 2.623734 
4.352021 
1 1 1 -9  6   15 o 195.0264 2.584646  8052.051       190.2996 7877.661       
356.7386 8121.415       224.9840 193.4603 4.392173 196.5925 2.725875 -3.132202 
5.169291 
1 1 1 -9  6   16 o 63.82919 2.506458  875.3145       65.04477 774.9579       
102.4130 943.1664       84.20995 60.67817 4.020164 66.98021 2.994594 -6.302036 
5.012915 
1 1 1 -9  6   17 o 152.8055 2.162796  4898.434       125.3940 4938.822       
234.9048 4882.338       148.2890 153.1850 3.652555 152.4261 2.317238 0.7588501 
4.325592 
1 1 1 -9  6   18 o 122.8953 2.515261  3148.833       121.7079 3268.664       
214.8827 3092.233       147.6794 124.5394 4.109753 121.2511 2.901050 3.288284 
5.030522 
1 1 1 -9  6   19 o 192.8898 3.296546  7897.037       251.9522 7726.935       
432.7881 7984.240       309.8761 191.1236 5.393644 194.6560 3.791764 -3.532471 
6.593092 
1 1 1 -9  6   20 o 44.25696 3.212903  409.6602       58.78856 434.9037       
92.64400 392.6431       76.06525 45.36954 4.863780 43.14438 4.199360 2.225159 
6.425806 
1 1 1 -9  6   21 f 101.3982 2.446611  2165.710       102.2854 2162.822       
160.4998 2167.686       132.7309 101.3104 3.773476 101.4861 3.115206 
-0.1756592     4.893223 
1 1 1 -9  6   22 o 234.6458 3.243025  11565.41       302.0800 11815.06       
522.5869 11440.13       370.1947 236.3156 5.267288 232.9760 3.784776 3.339691 
6.486051 
1 1 1 -9  6   23 o 24.17653 5.091761  128.6475       55.06184 102.8848       
92.43083 142.8188       68.55302 22.93471 7.905974 25.41835 6.418697 -2.483641 
10.18352 
1 1 1 -9  6   24 o 101.4780 2.483136  2186.243       102.0564 2121.035       
166.7645 2225.288       129.0426 100.1890 3.964649 102.7671 2.990890 -2.578087 
4.966272 
1 1 1 -9  6   25 o 96.26105 2.197085  1912.727       83.57641 2079.135       
147.9930 1834.805       101.2711 99.19404 3.553666 93.32806 2.584605 5.865974 
4.394170 
1 1 1 -9  6   26 o 29.70330 4.966585  205.3878       60.36097 160.3885       
97.66477 233.2001       76.78098 26.89470 8.037174 32.51189 5.837098 -5.617188 
9.933170 
1 1 1 -9  6   27 o 102.2059 3.403840  2234.209       145.6445 2199.291       
213.1568 2264.786       199.4686 101.3823 5.007926 103.0294 4.611418 -1.647095 
6.807680 
1 1 1 -9  6   28 o 84.58128 4.638983  1533.177       164.7312 1533.177       
164.7312 0.000000       0.000000 84.58128 4.638983 ?        ?        ? ? 
1 1 1 -9  6   29 o 130.0355 3.351032  3646.893       181.9198 3641.279       
271.7260 3651.454       244.9061 129.7587 4.987877 130.3123 4.476465 
-0.5535889     6.702064 
1 1 1 -9  6   30 o 25.03703 6.330258  133.5174       86.30757 83.75883       
125.5125 178.1506       118.8726 22.53728 8.933282 27.53678 8.971351 -4.999496 
12.66052 
1 1 1 -9  6   31 o 26.18543 6.446179  161.1081       88.15720 119.4208       
137.4155 190.2659       114.9240 24.40509 9.428481 27.96576 8.792989 -3.560673 
12.89236 
1 1 1 -9  6   32 o 60.75002 3.958348  824.1390       100.5846 852.4141       
149.6995 800.8677       135.8091 61.56343 5.791866 59.93661 5.397068 1.626827 
7.916695 
1 1 1 -9  6   33 o 62.47773 3.968085  882.7336       103.7657 978.0197       
149.7537 794.7338       143.9141 65.87367 5.414853 59.08178 5.801909 6.791889 
7.936170 
1 1 1 -9  6   34 o 40.56149 5.853382  423.5514       97.96809 345.8093       
137.3644 504.0313       139.7623 35.68321 9.131050 45.43978 7.326134 -9.756565 
11.70676 
1 1 1 -9  6   35 o 106.6431 4.813837  2832.376       198.5087 2775.270       
348.5897 2859.783       241.4897 102.3530 8.112131 110.9331 5.185115 -8.580124 
9.627673 
1 1 1 -9  7   1  o 312.3055 7.030975  20286.59       874.4808 21570.07       
1516.817 19647.60       1070.250 319.3189 11.31435 305.2921 8.350086 14.02686 
14.06195 
1 1 1 -9  7   2  o 356.7769 8.138039  26970.11       1112.315 26845.21       
2041.583 27022.84       1326.479 355.6052 13.67477 357.9487 8.826746 -2.343445 
16.27608 
1 1 1 -9  7   3  o 144.6699 3.863027  4245.250       156.3536 4614.216       
447.1983 4193.866       166.8861 148.0279 7.195777 141.3119 2.812954 6.716019 
7.726055 
1 1 1 -9  7   4  o 112.4930 3.678750  2658.642       173.7420 0.000000       
0.000000 2658.642       173.7420 ?        ?        112.4930 3.678750 ? ? 
1 1 1 -9  7   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  7   6  o 167.2662 5.202582  5535.155       288.8632 6491.091       
680.7103 5325.205       319.0111 175.3735 9.245266 159.1589 4.774149 16.21458 
10.40516 
1 1 1 -9  7   7  o 281.3019 3.340768  16142.76       269.9255 17318.99       
746.2195 15965.69       289.5311 286.8758 6.195748 275.7280 2.501125 11.14780 
6.681536 
1 1 1 -9  7   8  o 160.6181 2.400184  5432.414       140.8165 5394.000       
279.1420 5445.526       163.0889 160.2051 4.150207 161.0310 2.412327 
-0.8258362     4.800368 
1 1 1 -9  7   9  o 79.99860 2.116192  1340.086       70.10304 1369.359       
109.0363 1319.459       91.52759 80.73698 3.216769 79.26021 2.750539 1.476776 
4.232383 
1 1 1 -9  7   10 f 162.7008 2.871483  5564.504       189.9721 5561.873       
309.9239 5566.087       240.4373 162.6440 4.538771 162.7576 3.518695 
-0.1136322     5.742966 
1 1 1 -9  7   11 o 330.2811 3.348578  23089.04       435.9082 22514.38       
756.3312 23374.87       533.4128 327.0731 5.507928 333.4892 3.809806 -6.416077 
6.697155 
1 1 1 -9  7   12 o 190.8521 3.108310  7585.279       235.9990 7892.955       
408.4152 7431.049       289.1615 193.6757 5.022823 188.0285 3.663008 5.647156 
6.216621 
1 1 1 -9  7   13 o 106.3244 2.325634  2354.525       99.54292 2450.221       
167.9230 2302.679       123.6009 107.9584 3.704888 104.6904 2.812133 3.267998 
4.651267 
1 1 1 -9  7   14 o 270.3987 4.631775  15295.45       491.1790 15808.44       
872.6702 15057.58       594.2436 273.4384 7.601715 267.3591 5.294082 6.079376 
9.263551 
1 1 1 -9  7   15 o 226.5002 3.033240  10681.71       250.5017 11034.06       
502.6404 10565.28       288.9414 228.8100 5.232430 224.1903 3.069828 4.619736 
6.066480 
1 1 1 -9  7   16 o 101.8153 2.148424  2202.365       88.80582 2086.754       
143.3667 2274.341       113.1211 99.60233 3.428466 104.0282 2.590082 -4.425865 
4.296848 
1 1 1 -9  7   17 o 139.7078 2.196448  3963.025       113.8608 4410.477       
226.2970 3811.351       131.7528 144.7448 3.723891 134.6709 2.330274 10.07384 
4.392897 
1 1 1 -9  7   18 o 47.34644 3.162994  500.4843       59.24471 339.8332       
89.17906 627.3984       79.26398 40.10111 5.296971 54.59176 3.458357 -14.49065 
6.325989 
1 1 1 -9  7   19 o 15.36169 4.573205  -20.71458      52.08750 51.74097       
83.24294 -67.33858      66.77537 19.09225 7.346127 11.63112 5.448969 7.461132 
9.146411 
1 1 1 -9  7   20 o 139.4272 2.825257  4118.913       161.8939 3996.166       
254.5386 4202.301       209.7981 137.6085 4.405847 141.2458 3.537913 -3.637299 
5.650515 
1 1 1 -9  7   21 o 198.0201 2.631721  8175.563       189.3842 8435.482       
381.7263 8090.698       218.1215 199.9040 4.548326 196.1362 2.648877 3.767838 
5.263442 
1 1 1 -9  7   22 o 28.85997 4.642328  163.3318       59.79408 308.5760       
94.21454 65.37073       77.37402 38.15255 5.881870 19.56739 7.183901 18.58516 
9.284656 
1 1 1 -9  7   23 o 126.7983 2.753362  3378.463       143.4903 3458.707       
228.6714 3326.345       184.2880 127.9728 4.256134 125.6239 3.494186 2.348923 
5.506724 
1 1 1 -9  7   24 o 95.51352 2.173718  1933.461       86.60039 1802.768       
127.1907 2046.410       118.2413 92.46181 3.276529 98.56523 2.857370 -6.103424 
4.347437 
1 1 1 -9  7   25 o 84.93733 2.520812  1529.386       88.91245 1489.765       
135.1579 1559.613       118.0531 83.92004 3.836160 85.95461 3.271368 -2.034569 
5.041624 
1 1 1 -9  7   26 o 22.46621 5.394021  102.9757       60.06831 98.97353       
95.06646 105.6354       77.49891 22.59318 7.995270 22.33925 7.242754 0.2539272 
10.78804 
1 1 1 -9  7   27 o 45.93346 3.382330  448.1708       63.98812 463.4255       
101.5023 438.1100       82.43113 46.50688 5.198517 45.36004 4.328514 1.146839 
6.764659 
1 1 1 -9  7   28 o 45.99996 4.411424  458.9785       84.94173 484.4346       
126.1516 437.8651       114.8884 47.12502 6.376204 44.87490 6.098087 2.250111 
8.822848 
1 1 1 -9  7   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  7   30 o 76.18436 3.561797  1266.221       113.5661 1228.383       
165.6787 1299.755       155.9739 74.98309 5.262891 77.38564 4.800788 -2.402542 
7.123594 
1 1 1 -9  7   31 o 22.49467 6.206594  91.99343       85.74609 54.65818       
130.1564 120.6225       113.9749 21.24234 8.835556 23.74701 8.718954 -2.504667 
12.41319 
1 1 1 -9  7   32 o 29.73580 6.625518  218.7122       91.62064 273.2434       
143.1177 180.8448       119.2624 32.40283 9.738632 27.06877 8.986046 5.334063 
13.25104 
1 1 1 -9  7   33 o 45.13652 5.125829  475.7474       96.26825 543.0206       
148.7787 427.2952       126.2631 47.70848 7.427903 42.56456 7.065604 5.143925 
10.25166 
1 1 1 -9  7   34 o 47.04950 6.764191  549.0592       121.9503 450.9999       
146.2003 773.3250       221.0983 41.51249 8.670963 52.58651 10.38419 -11.07402 
13.52838 
1 1 1 -9  7   35 o 32.77169 6.338999  308.2665       91.03564 254.4044       
128.4299 362.6586       129.0602 29.38354 9.303525 36.15984 8.612554 -6.776302 
12.67800 
1 1 1 -9  8   1  o 457.9357 13.71249  44803.52       2470.926 45883.88       
4343.642 44286.65       3004.406 460.1381 22.48469 455.7333 15.70251 4.404846 
27.42499 
1 1 1 -9  8   2  o 428.6390 10.25360  38827.12       1845.216 0.000000       
0.000000 38827.12       1845.216 ?        ?        428.6390 10.25360 ? ? 
1 1 1 -9  8   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  8   4  o 395.2903 18.21023  33501.59       3022.112 33501.59       
3022.112 0.000000       0.000000 395.2903 18.21023 ?        ?        ? ? 
1 1 1 -9  8   5  o 177.9670 2.994290  6236.187       147.5276 7230.850       
433.8300 6106.124       156.8768 185.4082 5.573290 170.5258 2.191239 14.88242 
5.988580 
1 1 1 -9  8   6  o 147.6515 2.175585  4313.275       107.9717 5031.283       
250.0788 4148.767       119.7035 154.7387 3.849452 140.5643 2.028397 14.17442 
4.351170 
1 1 1 -9  8   7  o 288.0918 4.387645  16858.70       364.3134 18322.27       
1005.837 16637.71       390.8520 294.7620 8.127873 281.4215 3.308080 13.34048 
8.775290 
1 1 1 -9  8   8  o 317.0432 5.072511  21235.74       627.0848 21025.91       
1114.558 21332.92       758.5323 315.6725 8.409824 318.4138 5.674182 -2.741302 
10.14502 
1 1 1 -9  8   9  o 561.3348 9.215632  66647.23       2019.182 68026.52       
3605.251 66016.86       2437.309 564.2141 15.21993 558.4556 10.39544 5.758545 
18.43126 
1 1 1 -9  8   10 o 195.8000 2.557173  7993.049       183.4119 8186.694       
364.7844 7927.532       212.1827 197.3229 4.403316 194.2771 2.601414 3.045853 
5.114347 
1 1 1 -9  8   11 o 98.11356 2.052659  1984.432       82.06364 2175.543       
135.8583 1874.646       102.9715 101.7556 3.180161 94.47155 2.596192 7.284012 
4.105319 
1 1 1 -9  8   12 o 140.6913 2.145518  4118.182       116.5036 4262.561       
213.3279 4056.820       139.0749 142.4058 3.568134 138.9767 2.383570 3.429092 
4.291035 
1 1 1 -9  8   13 o 269.1537 3.831485  15364.64       422.1865 14764.50       
669.4347 15760.98       544.0139 264.6517 6.024965 273.6557 4.735072 -9.003937 
7.662970 
1 1 1 -9  8   14 f 212.1459 2.630184  9507.114       212.6721 9364.238       
393.0693 9566.251       252.8840 210.9308 4.438643 213.3610 2.823107 -2.430130 
5.260369 
1 1 1 -9  8   15 o 188.1029 3.177847  7407.040       241.2792 7608.935       
403.2824 7294.482       301.1168 190.0093 5.055399 186.1965 3.851984 3.812790 
6.355694 
1 1 1 -9  8   16 o 81.84406 2.062571  1404.273       69.48290 1428.578       
110.1051 1388.188       89.57050 82.41881 3.182015 81.26932 2.625182 1.149490 
4.125143 
1 1 1 -9  8   17 o 114.1207 2.180255  2750.893       103.6729 2636.345       
154.6047 2844.486       139.7495 111.9370 3.289804 116.3045 2.862035 -4.367531 
4.360511 
1 1 1 -9  8   18 o 167.1338 2.470531  5930.261       159.7160 5754.766       
286.5768 6009.331       192.3604 165.2253 4.131289 169.0422 2.710450 -3.816895 
4.941061 
1 1 1 -9  8   19 o 137.8171 2.265697  4036.103       124.3940 3875.913       
210.3497 4122.251       154.2581 135.6313 3.694051 140.0030 2.624410 -4.371689 
4.531395 
1 1 1 -9  8   20 o 280.3699 4.231056  16684.31       488.0896 16546.59       
769.0862 16777.20       631.5766 279.1251 6.562922 281.6147 5.341852 -2.489563 
8.462111 
1 1 1 -9  8   21 o 177.3090 2.451783  6637.041       178.0397 6546.959       
284.0347 6695.342       228.5018 176.2507 3.838500 178.3673 3.051374 -2.116592 
4.903567 
1 1 1 -9  8   22 o 163.0151 2.827749  5579.064       184.3923 5686.523       
313.8236 5522.405       227.8768 164.0970 4.555185 161.9332 3.351856 2.163849 
5.655498 
1 1 1 -9  8   23 o 78.14849 2.349984  1270.208       72.96796 1338.039       
126.9343 1236.731       89.17455 79.64162 3.796295 76.65536 2.770891 2.986252 
4.699967 
1 1 1 -9  8   24 o 74.19531 2.576019  1204.695       77.14922 961.3618       
118.9103 1381.586       101.3844 67.41838 4.201093 80.97224 2.982332 -13.55386 
5.152037 
1 1 1 -9  8   25 o 90.81623 2.221912  1751.455       83.63165 1664.710       
127.1323 1817.630       111.0403 88.77917 3.410876 92.85329 2.848421 -4.074112 
4.443825 
1 1 1 -9  8   26 o 120.9181 2.369249  3044.453       115.4328 3254.470       
195.3958 2931.863       143.0669 123.9649 3.754376 117.8714 2.891025 6.093437 
4.738498 
1 1 1 -9  8   27 o 90.59595 2.515052  1756.343       93.03691 1664.039       
147.8846 1816.806       119.6909 88.49691 3.980302 92.69498 3.075573 -4.198067 
5.030105 
1 1 1 -9  8   28 o 137.0254 2.845791  3978.612       150.6060 4065.463       
274.0694 3941.041       180.2624 137.6816 4.741389 136.3692 3.148546 1.312454 
5.691583 
1 1 1 -9  8   29 o 23.53702 5.894806  107.8524       70.27813 148.1594       
119.7339 86.66759       86.80371 26.03034 8.995769 21.04370 7.620441 4.986641 
11.78961 
1 1 1 -9  8   30 o 62.60675 5.302677  856.6934       139.3783 0.000000       
0.000000 856.6934       139.3783 ?        ?        62.60675 5.302677 ? ? 
1 1 1 -9  8   31 o 57.38478 4.193438  727.0804       100.5255 808.1642       
151.6086 663.4626       134.2907 60.17283 6.001287 54.59673 5.858688 5.576099 
8.386875 
1 1 1 -9  8   32 o 35.78011 6.219172  317.7498       92.30968 365.6281       
140.6799 281.5490       122.3269 38.06832 8.944066 33.49191 8.643846 4.576408 
12.43834 
1 1 1 -9  8   33 o 115.7293 3.800467  3008.506       184.0436 2986.440       
250.1521 3034.545       271.7398 115.5726 5.155497 115.8861 5.585253 
-0.3135529     7.600934 
1 1 1 -9  8   34 o 55.57463 4.377057  724.0878       100.2271 572.7914       
140.3222 881.6686       143.2069 49.01643 6.818765 62.13282 5.489895 -13.11639 
8.754113 
1 1 1 -9  8   35 o 30.60122 6.438899  271.4787       91.44871 206.8378       
129.3736 336.0285       129.2824 26.65220 9.337359 34.55024 8.868561 -7.898035 
12.87780 
1 1 1 -9  9   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  9   2  o 244.7796 10.18179  12667.99       1046.353 12667.99       
1046.353 0.000000       0.000000 244.7796 10.18179 ?        ?        ? ? 
1 1 1 -9  9   3  o 396.1002 9.024678  33343.56       1479.695 33079.90       
2286.857 33533.44       1940.702 394.3737 13.81186 397.8267 11.61946 -3.453033 
18.04936 
1 1 1 -9  9   4  o 127.6363 3.508924  3523.865       159.8325 3238.727       
321.3190 3617.614       184.2437 124.0473 6.169789 131.2253 3.344231 -7.177986 
7.017847 
1 1 1 -9  9   5  f 195.1359 3.808720  7867.021       257.1122 8262.879       
558.7620 7760.691       289.5920 198.0831 6.718934 192.1886 3.589054 5.894577 
7.617440 
1 1 1 -9  9   6  f 151.4910 2.767086  4739.020       158.9227 5017.802       
301.6645 4631.924       186.9729 154.4863 4.651094 148.4957 2.999064 5.990631 
5.534173 
1 1 1 -9  9   7  o 214.9490 2.634060  9430.697       165.8714 10102.27       
447.7678 9323.883       178.5760 219.1775 4.866066 210.7206 2.018539 8.456894 
5.268121 
1 1 1 -9  9   8  o 153.3312 2.639354  4979.899       157.8610 4834.047       
279.0489 5048.544       191.4387 151.6349 4.383311 155.0276 2.941316 -3.392746 
5.278708 
1 1 1 -9  9   9  o 232.1750 2.386368  10968.74       168.9795 11853.69       
435.3709 10811.78       183.3534 237.4388 4.367458 226.9112 1.924660 10.52760 
4.772736 
1 1 1 -9  9   10 o 233.6982 3.567858  11441.04       316.1399 11608.56       
593.8144 11374.77       373.4670 234.7713 6.024580 232.6251 3.823989 2.146164 
7.135717 
1 1 1 -9  9   11 o 242.9480 4.170846  12238.43       390.8868 12926.54       
719.5909 11950.39       465.5638 247.5567 6.923600 238.3392 4.652698 9.217545 
8.341692 
1 1 1 -9  9   12 o 361.1783 5.393696  27412.32       750.3390 27938.22       
1372.784 27188.27       896.0281 363.1768 9.003373 359.1797 5.941977 3.997070 
10.78739 
1 1 1 -9  9   13 o 169.1266 2.243932  5949.815       147.7038 6177.586       
266.6005 5848.938       177.4222 171.3988 3.704880 166.8544 2.532744 4.544403 
4.487864 
1 1 1 -9  9   14 o 101.6918 2.009030  2186.232       84.66776 2087.038       
128.9555 2261.392       112.2514 99.64174 3.082617 103.7419 2.577264 -4.100143 
4.018061 
1 1 1 -9  9   15 o 44.56418 2.892640  416.5768       53.94758 435.9167       
80.19749 400.5924       72.90906 45.50220 4.198068 43.62616 3.980665 1.876045 
5.785280 
1 1 1 -9  9   16 f 225.3062 4.027935  10757.41       365.8652 10600.41       
606.7662 10847.11       458.6159 223.8082 6.457530 226.8043 4.816360 -2.996063 
8.055869 
1 1 1 -9  9   17 o 130.2084 2.127274  3611.687       114.6829 3209.617       
170.8303 3941.556       154.7339 123.5008 3.294702 136.9159 2.691861 -13.41508 
4.254548 
1 1 1 -9  9   18 o 282.8264 4.569602  17005.69       496.5567 16883.25       
905.9076 17058.27       593.6890 281.4881 7.665580 284.1647 4.976338 -2.676666 
9.139204 
1 1 1 -9  9   19 o 88.86917 2.366383  1705.697       85.70627 1444.276       
131.8752 1896.856       112.7690 82.78363 3.794372 94.95472 2.828748 -12.17109 
4.732766 
1 1 1 -9  9   20 o 82.24091 2.362071  1472.030       77.33368 1258.556       
126.4387 1599.618       97.74918 77.27195 3.897437 87.20987 2.669738 -9.937920 
4.724142 
1 1 1 -9  9   21 o 124.7293 2.228671  3279.823       115.0765 3242.825       
177.7169 3306.536       151.0107 124.0938 3.411143 125.3648 2.869148 -1.271057 
4.457343 
1 1 1 -9  9   22 o 114.1316 2.304476  2733.594       104.7021 2772.427       
179.8256 2713.678       128.7824 114.6868 3.734728 113.5763 2.700785 1.110550 
4.608951 
1 1 1 -9  9   23 o 78.64664 2.490684  1293.462       79.19985 1343.309       
132.1759 1265.538       98.92573 79.77518 3.946440 77.51809 3.039676 2.257095 
4.981368 
1 1 1 -9  9   24 o 87.68213 2.630048  1637.108       95.09406 1546.988       
146.8179 1702.237       124.8126 85.53077 4.088629 89.83348 3.309339 -4.302711 
5.260096 
1 1 1 -9  9   25 o 82.22044 2.452971  1402.944       82.35387 1534.935       
135.4956 1325.618       103.7082 85.18159 3.788790 79.25928 3.116622 5.922318 
4.905941 
1 1 1 -9  9   26 o 122.5339 2.299926  3150.403       114.3722 3261.276       
188.9955 3086.338       143.6647 124.1226 3.626784 120.9452 2.829323 3.177361 
4.599851 
1 1 1 -9  9   27 o 64.87384 2.689647  896.2117       71.72002 879.3301       
113.0184 907.5934       92.79926 64.28407 4.187615 65.46362 3.376491 -1.179550 
5.379294 
1 1 1 -9  9   28 o 66.63935 2.884753  943.5427       80.33462 985.1622       
120.5115 910.2564       107.7734 67.91773 4.226357 65.36097 3.927481 2.556763 
5.769506 
1 1 1 -9  9   29 o 36.93445 5.237838  305.7503       75.17204 344.1849       
129.3114 286.1319       92.38631 38.30341 8.276036 35.56549 6.422384 2.737926 
10.47568 
1 1 1 -9  9   30 o 45.85624 4.145072  438.0981       77.03397 567.4679       
131.7417 370.8828       94.96015 50.58290 6.203553 41.12958 5.499310 9.453320 
8.290144 
1 1 1 -9  9   31 o 67.48405 3.761055  988.1632       105.4357 1212.677       
159.3800 813.4492       140.5972 74.32143 5.107881 60.64666 5.521928 13.67477 
7.522110 
1 1 1 -9  9   32 f 61.26621 4.113461  851.0094       104.6107 744.9634       
152.0293 946.3707       144.1672 57.23905 6.326391 65.29338 5.259184 -8.054333 
8.226922 
1 1 1 -9  9   33 o 40.89528 5.818740  415.5662       96.33254 462.2781       
142.0563 375.7971       131.0750 43.14328 8.140322 38.64727 8.316615 4.496002 
11.63748 
1 1 1 -9  9   34 o 27.03435 6.523317  190.7224       91.26568 253.5982       
131.5786 132.4246       126.6980 30.43069 9.376884 23.63801 9.071312 6.792683 
13.04663 
1 1 1 -9  9   35 o 24.94806 6.115726  153.4400       89.28829 25.86896       
125.6257 283.6732       126.9298 18.46445 8.174693 31.43167 9.098506 -12.96722 
12.23145 
1 1 1 -9  10  1  o 142.4881 4.224216  4252.840       225.9763 4321.207       
431.4801 4227.000       265.2651 143.1844 7.177715 141.7918 4.456051 1.392563 
8.448431 
1 1 1 -9  10  2  o 344.1293 8.902509  25004.41       990.0313 25422.28       
2330.509 24912.40       1093.618 344.5323 16.11172 343.7263 7.578336 0.8059998 
17.80502 
1 1 1 -9  10  3  o 390.2744 10.24615  32233.50       1241.201 32882.55       
3072.742 32106.95       1356.821 390.4977 18.74255 390.0510 8.285568 0.4467468 
20.49229 
1 1 1 -9  10  4  o 250.3764 5.438766  12595.81       253.0428 13935.28       
1139.374 12526.32       259.5240 256.5341 10.57894 244.2186 2.531162 12.31554 
10.87753 
1 1 1 -9  10  5  o 186.2282 2.881478  7133.703       167.4766 7524.921       
416.8869 7058.414       182.8832 189.1270 5.250319 183.3294 2.376089 5.797623 
5.762955 
1 1 1 -9  10  6  o 182.3857 3.064736  6767.589       175.2513 7337.413       
436.6025 6658.146       191.3425 186.7237 5.569393 178.0477 2.559741 8.675964 
6.129471 
1 1 1 -9  10  7  o 385.9578 5.687401  31497.45       770.1505 31335.94       
1618.215 31544.74       875.6831 384.7397 10.01822 387.1759 5.387158 -2.436188 
11.37480 
1 1 1 -9  10  8  o 574.4274 9.796679  70244.56       2214.190 71026.00       
3883.642 69868.23       2695.128 575.1140 16.08446 573.7407 11.18883 1.373291 
19.59336 
1 1 1 -9  10  9  o 142.0155 2.395683  4141.721       130.2872 4473.102       
244.2358 4009.912       154.0342 145.8659 3.988198 138.1651 2.655461 7.700821 
4.791367 
1 1 1 -9  10  10 f 437.9952 6.645728  40597.04       1125.746 40727.17       
2036.089 40539.73       1351.031 437.7380 11.07908 438.2524 7.342807 
-0.5144043     13.29146 
1 1 1 -9  10  11 f 81.91090 2.351082  1428.232       79.68887 1275.110       
119.2019 1551.963       107.1528 77.88032 3.645661 85.94147 2.969763 -8.061157 
4.702163 
1 1 1 -9  10  12 o 310.4481 5.458162  20416.95       673.5245 20268.38       
1153.686 20493.76       829.5699 309.2188 8.886749 311.6774 6.339701 -2.458588 
10.91632 
1 1 1 -9  10  13 o 38.90482 3.184356  305.1899       50.27879 444.7266       
79.83527 213.4663       64.72785 45.97295 4.136314 31.83670 4.842663 14.13625 
6.368711 
1 1 1 -9  10  14 o 94.41880 2.106806  1897.161       82.27041 1711.189       
123.7983 2044.252       110.0987 90.21007 3.268742 98.62753 2.658920 -8.417465 
4.213613 
1 1 1 -9  10  15 o 69.38969 2.169231  1006.563       62.13151 1044.139       
98.00836 981.3148       80.33747 70.45616 3.313334 68.32322 2.800728 2.132942 
4.338463 
1 1 1 -9  10  16 o 182.8661 2.529625  7088.909       191.0916 6736.848       
293.9037 7346.730       251.5103 178.8564 3.914008 186.8758 3.205707 -8.019455 
5.059250 
1 1 1 -9  10  17 o 152.7204 2.298187  4909.819       140.7444 4903.792       
237.1164 4913.099       174.8846 152.5906 3.701305 152.8502 2.725251 
-0.2595978     4.596374 
1 1 1 -9  10  18 o 81.10498 2.220813  1362.131       74.53253 1512.852       
117.8987 1261.799       96.19260 84.76984 3.312749 77.44012 2.958671 7.329727 
4.441626 
1 1 1 -9  10  19 o 74.86809 2.424909  1195.178       74.91272 1087.936       
114.0083 1276.661       99.37748 71.84969 3.779486 77.88647 3.039114 -6.036781 
4.849817 
1 1 1 -9  10  20 o 252.6326 4.102352  13528.15       402.8156 13494.43       
721.0513 13543.45       485.6693 251.9720 6.816084 253.2932 4.567075 -1.321259 
8.204704 
1 1 1 -9  10  21 o 73.62367 2.431217  1158.560       73.78217 1033.519       
111.8509 1254.884       98.17007 70.02757 3.804446 77.21976 3.028111 -7.192192 
4.862434 
1 1 1 -9  10  22 o 108.4313 2.563840  2435.830       112.0720 2626.560       
189.8622 2333.836       138.8409 111.5796 4.052984 105.2831 3.141085 6.296471 
5.127679 
1 1 1 -9  10  23 o 31.65282 4.830215  227.6599       62.39553 172.8375       
98.38982 264.5393       80.69814 28.00014 7.980193 35.30549 5.444303 -7.305351 
9.660430 
1 1 1 -9  10  24 o 121.9858 2.547649  3162.159       128.8875 3002.433       
195.3785 3285.223       171.4965 119.1781 3.904823 124.7934 3.273290 -5.615349 
5.095299 
1 1 1 -9  10  25 o 45.83798 3.611992  432.8273       68.32094 535.3518       
109.4742 367.4223       87.43867 50.12682 5.201909 41.54915 5.012592 8.577663 
7.223983 
1 1 1 -9  10  26 o 100.9670 2.384242  2163.609       97.69154 2125.324       
159.3676 2186.655       123.6466 100.1505 3.790251 101.7835 2.893517 -1.632988 
4.768485 
1 1 1 -9  10  27 o 53.42641 3.040606  583.2366       66.46684 722.5223       
110.1880 503.5656       83.33563 58.19701 4.509774 48.65582 4.079594 9.541183 
6.081213 
1 1 1 -9  10  28 o 74.13548 2.575217  1165.965       78.73341 1184.595       
123.9098 1153.350       101.9631 74.54329 3.959297 73.72766 3.294076 0.8156281 
5.150434 
1 1 1 -9  10  29 o 14.93300 4.820409  -45.48736      65.21465 -123.5280      
119.8778 -12.68328      77.72168 15.06437 7.117660 14.80163 6.502638 0.2627487 
9.640819 
1 1 1 -9  10  30 o 101.6754 2.848121  2199.115       115.2882 2296.251       
198.9715 2150.022       141.4530 102.9829 4.602003 100.3680 3.356896 2.614853 
5.696242 
1 1 1 -9  10  31 o 67.31258 3.308140  985.5358       89.98000 996.7950       
149.0227 979.0759       112.8792 67.27337 5.276311 67.35180 3.991956 
-0.7843018E-01 6.616281 
1 1 1 -9  10  32 o 24.70314 6.288717  127.3381       91.32949 20.69335       
133.4358 221.3289       125.2695 19.85358 8.621038 29.55270 9.158031 -9.699120 
12.57743 
1 1 1 -9  10  33 o 26.63387 10.78201  161.7519       187.6240 161.7519       
187.6240 0.000000       0.000000 26.63387 10.78201 ?        ?        ? ? 
1 1 1 -9  10  34 o 87.33807 4.383337  1791.025       152.5340 1729.661       
255.0954 1825.175       190.3025 84.67824 7.175496 89.99792 5.036550 -5.319679 
8.766674 
1 1 1 -9  10  35 o 28.63741 6.552091  239.5546       92.67241 179.9902       
133.9854 294.1845       128.3156 25.24407 9.421098 32.03075 9.108375 -6.786673 
13.10418 
1 1 1 -9  11  1  o 391.0261 9.005040  32585.03       1437.045 32526.98       
2319.502 32621.19       1830.727 390.0639 14.16381 391.9883 11.12427 -1.924377 
18.01008 
1 1 1 -9  11  2  o 296.1067 7.102895  18617.85       859.8120 18369.00       
1377.952 18776.51       1100.289 294.1712 11.15719 298.0422 8.793265 -3.871033 
14.20579 
1 1 1 -9  11  3  o 311.5163 8.939428  19406.65       642.7338 22223.57       
2303.517 19168.82       669.3160 321.2225 17.08073 301.8101 5.282245 19.41245 
17.87886 
1 1 1 -9  11  4  o 139.2115 3.580869  3900.396       151.3726 4338.647       
394.6619 3824.804       163.9083 143.4901 6.551251 134.9329 2.893371 8.557236 
7.161737 
1 1 1 -9  11  5  o 96.01397 2.621761  1943.499       98.00761 1921.648       
174.6737 1953.539       118.4017 95.59642 4.352182 96.43152 2.924556 
-0.8350983     5.243521 
1 1 1 -9  11  6  o 354.4832 5.562216  25742.20       541.0598 27586.77       
1575.466 25495.55       576.0988 360.7126 10.40325 348.2538 3.940235 12.45874 
11.12443 
1 1 1 -9  11  7  o 446.6037 8.252939  41871.49       1343.523 43526.91       
2696.242 41324.68       1549.609 450.9925 14.24002 442.2149 8.346605 8.777618 
16.50588 
1 1 1 -9  11  8  o 186.6400 3.423288  7355.345       260.8269 7217.881       
419.2021 7442.179       333.1720 185.1592 5.392613 188.1208 4.218450 -2.961563 
6.846575 
1 1 1 -9  11  9  o 156.5065 2.763260  5182.522       178.4586 4965.762       
276.1571 5337.949       233.8446 153.6534 4.280901 159.3596 3.495184 -5.706284 
5.526520 
1 1 1 -9  11  10 o 403.5424 6.993058  34477.38       1111.933 34840.29       
1945.913 34301.42       1354.928 404.3415 11.46295 402.7433 8.013257 1.598114 
13.98612 
1 1 1 -9  11  11 o 345.4066 4.870136  25102.40       643.5894 25419.36       
1189.403 24971.17       765.3066 346.5214 8.175606 344.2917 5.294561 2.229675 
9.740273 
1 1 1 -9  11  12 o 145.6711 2.565252  4509.459       154.9224 4099.476       
231.6604 4841.157       208.3721 139.5934 3.952828 151.7487 3.270661 -12.15529 
5.130504 
1 1 1 -9  11  13 o 11.28990 3.818561  -93.16600      49.53669 -105.7393      
79.13403 -85.06440      63.52200 11.90955 5.688092 10.67025 5.096199 1.239295 
7.637122 
1 1 1 -9  11  14 o 183.3061 2.745034  7163.167       199.5449 6789.776       
339.3944 7360.431       246.6862 179.5238 4.503018 187.0884 3.140647 -7.564560 
5.490067 
1 1 1 -9  11  15 o 47.10518 2.771330  473.6463       53.41001 436.1366       
83.75146 499.3575       69.33952 45.49343 4.384952 48.71693 3.390174 -3.223503 
5.542660 
1 1 1 -9  11  16 o 158.8456 2.569690  5276.268       161.4020 5420.415       
281.8933 5205.965       196.8653 160.3704 4.186793 157.3208 2.980604 3.049667 
5.139381 
1 1 1 -9  11  17 o 161.8902 2.634552  5549.702       169.6966 5430.281       
289.1268 5612.459       209.5954 160.4616 4.291790 163.3188 3.056796 -2.857269 
5.269104 
1 1 1 -9  11  18 o 252.7449 4.629851  13539.29       457.1747 13640.82       
812.3956 13492.24       553.0598 252.9026 7.651302 252.5872 5.215330 0.3153534 
9.259702 
1 1 1 -9  11  19 f 199.2570 3.691870  8375.209       290.5800 8458.728       
506.2008 8334.160       354.8736 199.7490 6.036139 198.7650 4.252604 0.9840393 
7.383739 
1 1 1 -9  11  20 o 123.5875 2.162227  3138.988       104.6571 3422.039       
188.7422 3013.320       125.7617 127.4647 3.526957 119.7103 2.502294 7.754433 
4.324454 
1 1 1 -9  11  21 o 124.4124 2.225481  3234.561       107.8814 3321.950       
193.7815 3195.311       129.8678 125.5581 3.676112 123.2668 2.509437 2.291283 
4.450963 
1 1 1 -9  11  22 o 148.9577 2.465866  4635.657       142.8626 4782.502       
257.7011 4570.503       171.6545 150.5403 4.077411 147.3752 2.774291 3.165176 
4.931731 
1 1 1 -9  11  23 o 116.5949 2.412920  2880.650       115.1546 2802.471       
183.2967 2931.626       148.0101 115.2199 3.789206 117.9699 2.988419 -2.749954 
4.825840 
1 1 1 -9  11  24 o 170.1887 2.703928  6068.771       168.6106 6234.388       
335.1232 6012.637       195.1036 171.4427 4.655931 168.9346 2.750855 2.508072 
5.407856 
1 1 1 -9  11  25 o 85.84731 2.539776  1585.154       88.93741 1432.946       
139.7062 1688.871       115.3247 82.23838 4.046337 89.45622 3.070668 -7.217842 
5.079552 
1 1 1 -9  11  26 o 75.63340 2.501933  1247.091       75.44685 1085.091       
123.5574 1343.407       95.27053 71.48721 4.116815 79.77959 2.844382 -8.292374 
5.003866 
1 1 1 -9  11  27 o 103.9018 2.426537  2293.548       105.4544 2217.175       
154.4197 2360.294       144.3583 102.2275 3.597959 105.5762 3.256843 -3.348656 
4.853075 
1 1 1 -9  11  28 o 59.06773 3.138980  733.4481       76.88790 835.0670       
120.8073 664.2591       99.68389 62.39728 4.611567 55.73818 4.259840 6.659100 
6.277960 
1 1 1 -9  11  29 o 30.53749 5.677047  228.5011       74.04254 165.3891       
123.8473 263.6070       92.36781 27.09093 9.157146 33.98404 6.712835 -6.893108 
11.35409 
1 1 1 -9  11  30 o 25.25597 5.880194  149.1348       73.64289 95.60062       
123.1967 178.8996       91.86185 22.97989 8.917119 27.53206 7.667575 -4.552172 
11.76039 
1 1 1 -9  11  31 o 24.36503 5.905362  137.7762       74.78017 79.62051       
124.2668 170.7921       93.63106 22.02034 8.832201 26.70972 7.841263 -4.689383 
11.81072 
1 1 1 -9  11  32 o 87.76260 3.023768  1682.365       111.1701 1601.355       
159.7197 1758.490       154.8307 85.57793 4.445472 89.94729 4.100058 -4.369362 
6.047536 
1 1 1 -9  11  33 o 22.63125 6.404229  100.1642       92.51770 83.30136       
134.3708 115.3642       127.5733 22.02785 9.051751 23.23464 9.062140 -1.206785 
12.80846 
1 1 1 -9  11  34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  11  35 o 28.54513 6.844030  243.7564       98.34506 219.3109       
140.8381 267.0189       137.3879 27.17342 9.719851 29.91684 9.637816 -2.743420 
13.68806 
1 1 1 -9  12  1  o 140.4834 3.775186  4152.234       217.5194 4172.414       
347.2469 4139.202       279.0526 140.7177 5.877745 140.2491 4.739222 0.4685974 
7.550371 
1 1 1 -9  12  2  o 140.9479 4.129169  4314.334       205.2368 3947.129       
419.0291 4430.227       235.4065 136.7370 7.299268 145.1588 3.862747 -8.421799 
8.258337 
1 1 1 -9  12  3  o 64.04456 3.326402  874.6942       78.58904 838.4597       
152.0247 887.9088       91.80791 63.09087 5.739428 64.99825 3.364337 -1.907383 
6.652803 
1 1 1 -9  12  4  o 356.6189 8.504430  25421.48       443.1325 28968.43       
2571.269 25312.91       449.8636 366.1575 16.72633 347.0803 3.087251 19.07718 
17.00886 
1 1 1 -9  12  5  o 115.9619 2.694873  2788.046       110.4555 2899.804       
232.3922 2755.431       125.5425 117.3952 4.715116 114.5286 2.610946 2.866592 
5.389745 
1 1 1 -9  12  6  o 64.10870 2.780309  887.0778       70.99372 787.2532       
117.3804 944.6566       89.14731 61.17069 4.570602 67.04670 3.167028 -5.876011 
5.560617 
1 1 1 -9  12  7  f 274.1470 4.619755  15814.29       482.3690 15940.94       
897.4491 15762.83       572.0214 274.6451 7.783214 273.6490 4.978971 0.9961853 
9.239511 
1 1 1 -9  12  8  o 131.1832 2.551776  3538.924       132.7855 3856.373       
233.5298 3387.254       161.4192 135.4062 4.107947 126.9602 3.028369 8.446014 
5.103553 
1 1 1 -9  12  9  o 103.6833 2.346267  2236.022       98.54969 2348.718       
164.1572 2172.519       123.2261 105.6873 3.699631 101.6794 2.886627 4.007866 
4.692535 
1 1 1 -9  12  10 o 181.0110 2.899022  6862.891       206.3707 6980.367       
363.4404 6806.990       250.7088 182.0793 4.754378 179.9426 3.318613 2.136642 
5.798043 
1 1 1 -9  12  11 o 137.3558 2.579890  3991.701       147.0955 3796.010       
222.3785 4143.927       196.1336 134.3227 3.943341 140.3889 3.327671 -6.066162 
5.159780 
1 1 1 -9  12  12 o 57.96269 2.621101  692.9706       62.24808 768.5019       
101.6869 647.7034       78.72145 60.42853 4.008152 55.49686 3.378670 4.931667 
5.242203 
1 1 1 -9  12  13 o 182.0208 2.917319  6910.018       210.7439 7177.077       
366.3052 6777.888       257.6563 184.5387 4.727993 179.5029 3.418931 5.035736 
5.834639 
1 1 1 -9  12  14 o 153.0952 2.256734  4961.496       137.3383 4831.129       
234.1750 5029.846       169.5607 151.5014 3.681671 154.6890 2.610880 -3.187576 
4.513468 
1 1 1 -9  12  15 o 115.4466 2.027474  2772.519       94.13957 2907.510       
159.4071 2700.226       116.6547 117.5527 3.229951 113.3406 2.451535 4.212143 
4.054948 
1 1 1 -9  12  16 o 117.5010 2.457560  2939.245       118.6589 2735.514       
184.3680 3083.308       155.0359 113.9462 3.853957 121.0557 3.050479 -7.109573 
4.915121 
1 1 1 -9  12  17 o 133.8135 2.412625  3821.183       132.7605 3487.616       
204.4863 4064.234       174.5507 128.6494 3.785975 138.9776 2.991560 -10.32826 
4.825250 
1 1 1 -9  12  18 o 28.21229 4.803363  182.8142       56.46289 131.1949       
88.78947 217.8615       73.16158 24.83414 7.712986 31.59043 5.727042 -6.756294 
9.606726 
1 1 1 -9  12  19 o 210.9871 3.050374  9480.050       255.9182 9109.858       
434.3788 9676.860       316.7238 207.6265 4.983185 214.3477 3.519515 -6.721283 
6.100748 
1 1 1 -9  12  20 o 86.12020 2.556450  1562.102       91.31664 1564.737       
140.5126 1560.175       120.1479 86.15939 3.884489 86.08102 3.324528 
0.7836914E-01  5.112899 
1 1 1 -9  12  21 f 107.4229 2.110844  2451.424       91.64941 2342.447       
149.8996 2516.481       115.8187 105.4584 3.385637 109.3874 2.521927 -3.929062 
4.221688 
1 1 1 -9  12  22 o 178.7015 3.233440  6764.971       234.6875 6698.491       
382.8635 6804.986       297.0357 177.8327 5.128062 179.5703 3.939990 -1.737579 
6.466880 
1 1 1 -9  12  23 o 111.2056 2.269492  2588.191       100.2016 2665.493       
173.6596 2549.611       122.6842 112.3659 3.681165 110.0454 2.655448 2.320549 
4.538985 
1 1 1 -9  12  24 o 60.20362 2.918587  760.4374       72.50018 804.3478       
114.9300 731.4149       93.43661 61.59279 4.444519 58.81445 3.784026 2.778339 
5.837174 
1 1 1 -9  12  25 o 102.1775 2.361291  2167.981       98.56924 2368.108       
161.8977 2050.103       124.2528 105.7951 3.644991 98.56001 3.002801 7.235039 
4.722581 
1 1 1 -9  12  26 o 105.7703 2.359911  2358.241       100.5019 2397.639       
168.4559 2336.468       125.2308 106.3386 3.773255 105.2020 2.835361 1.136673 
4.719822 
1 1 1 -9  12  27 o 41.48183 4.125060  365.2721       71.16211 423.1212       
110.1966 323.8905       93.20161 44.22871 5.934514 38.73495 5.731146 5.493755 
8.250120 
1 1 1 -9  12  28 o 49.26036 3.776665  542.3201       75.23565 433.1554       
114.9116 624.2255       99.53569 44.54003 6.145178 53.98069 4.391991 -9.440662 
7.553330 
1 1 1 -9  12  29 o 46.21930 4.055623  455.5790       76.73450 520.9064       
126.1112 417.1740       96.69417 48.63290 6.176531 43.80570 5.257639 4.827206 
8.111246 
1 1 1 -9  12  30 o 75.12958 2.960162  1187.534       90.78530 1342.322       
150.1962 1098.426       113.9593 78.71570 4.544840 71.54345 3.794030 7.172249 
5.920324 
1 1 1 -9  12  31 o 19.53830 5.720729  35.79278       74.04105 87.03780       
124.3560 7.650176       92.15591 22.34304 8.880759 16.73355 7.213812 5.609488 
11.44146 
1 1 1 -9  12  32 o 39.83778 4.804851  378.5138       76.42557 309.2072       
113.7598 435.5259       103.1776 35.56902 7.829451 44.10653 5.571901 -8.537518 
9.609702 
1 1 1 -9  12  33 o 57.89169 3.449295  746.9897       83.51477 677.9948       
118.3771 815.3602       117.8402 55.05807 5.121153 60.72532 4.622156 -5.667248 
6.898589 
1 1 1 -9  12  34 o 83.83629 3.573845  1551.551       119.2633 1701.707       
207.3894 1477.358       145.7801 85.93437 5.748318 81.73820 4.248095 4.196175 
7.147689 
1 1 1 -9  12  35 o 38.81430 8.125867  403.1120       128.1465 0.000000       
0.000000 403.1120       128.1465 ?        ?        38.81430 8.125867 ? ? 
1 1 1 -9  13  1  o 200.7719 5.690038  8422.534       433.0131 8797.994       
818.7657 8276.743       510.2024 203.4760 9.584455 198.0677 6.135498 5.408310 
11.38008 
1 1 1 -9  13  2  o 239.5550 5.285634  11869.90       452.5099 12640.69       
941.3849 11638.29       516.0376 244.0636 9.187243 235.0463 5.229365 9.017319 
10.57127 
1 1 1 -9  13  3  o 193.8256 4.609429  7867.541       268.1468 8016.855       
693.6306 7841.306       290.7516 194.5363 8.492758 193.1150 3.586141 1.421310 
9.218858 
1 1 1 -9  13  4  f 277.7878 7.318414  15525.17       410.1258 17470.56       
1693.368 15403.94       422.7110 284.9219 14.15619 270.6537 3.720066 14.26819 
14.63683 
1 1 1 -9  13  5  o 86.11087 2.403937  1467.835       76.86074 1755.541       
154.9301 1373.911       88.52215 91.35531 4.039457 80.86644 2.607382 10.48887 
4.807874 
1 1 1 -9  13  6  o 264.0782 5.359619  14251.77       472.4658 15577.29       
1086.541 13942.71       524.6646 270.8254 9.556037 257.3311 4.856357 13.49432 
10.71924 
1 1 1 -9  13  7  o 113.9512 2.470361  2731.940       111.0461 2724.950       
193.4783 2735.373       135.6051 113.8109 4.049201 114.0916 2.831025 
-0.2806396     4.940722 
1 1 1 -9  13  8  o 104.1615 2.165643  2261.896       92.90811 2373.839       
147.9417 2188.996       119.3870 106.2606 3.316190 102.0624 2.786201 4.198196 
4.331285 
1 1 1 -9  13  9  o 215.6349 3.408933  9722.499       285.7267 9982.861       
515.4373 9607.001       343.3014 217.5690 5.642869 213.7009 3.826400 3.868118 
6.817867 
1 1 1 -9  13  10 o 114.2906 2.154732  2716.699       98.58145 2842.129       
168.5854 2651.523       121.5242 116.2503 3.454194 112.3308 2.576825 3.919556 
4.309464 
1 1 1 -9  13  11 o 69.86855 2.451411  1032.013       70.80361 995.7161       
109.1383 1058.392       93.04014 68.78903 3.779020 70.94807 3.123567 -2.159035 
4.902822 
1 1 1 -9  13  12 f 128.4397 2.391813  3403.176       120.6437 3658.448       
215.7933 3287.111       145.5081 131.8314 3.898882 125.0480 2.771607 6.783409 
4.783627 
1 1 1 -9  13  13 o 207.3119 2.861207  9086.240       238.0793 8932.638       
398.6422 9171.403       296.8299 205.8425 4.612849 208.7813 3.386391 -2.938782 
5.722414 
1 1 1 -9  13  14 o 175.2530 2.196874  6452.744       152.9296 6487.354       
263.3067 6435.124       187.8642 175.5465 3.572653 174.9595 2.557570 0.5870209 
4.393747 
1 1 1 -9  13  15 o 91.40551 2.171004  1782.304       81.44878 1629.166       
126.2555 1891.464       106.5959 87.97057 3.418488 94.84045 2.677120 -6.869888 
4.342008 
1 1 1 -9  13  16 o 27.79694 4.857458  166.7729       55.49679 192.6235       
88.70819 150.1487       71.13737 29.50628 7.211893 26.08760 6.509085 3.418688 
9.714916 
1 1 1 -9  13  17 o 167.8029 2.483957  5891.642       162.7041 6037.411       
291.0919 5825.409       196.2170 169.2001 4.097799 166.4057 2.808597 2.794357 
4.967915 
1 1 1 -9  13  18 o 228.6001 3.091926  10980.17       270.4191 11140.12       
500.0599 10914.07       321.4804 229.5311 5.189213 227.6691 3.363345 1.862015 
6.183852 
1 1 1 -9  13  19 o 25.26219 5.204817  139.1255       57.90993 130.0065       
92.20631 145.0654       74.41760 24.85413 7.884451 25.67024 6.796757 
-0.8161087     10.40963 
1 1 1 -9  13  20 o 87.55173 2.220274  1617.815       80.31013 1589.003       
124.6559 1638.260       105.0065 86.86113 3.418286 88.24232 2.834394 -1.381195 
4.440548 
1 1 1 -9  13  21 o 145.8435 2.366718  4474.775       136.6780 4498.156       
236.7731 4463.091       167.3816 146.0449 3.861598 145.6422 2.737422 0.4027557 
4.733436 
1 1 1 -9  13  22 o 90.00191 2.520180  1681.345       92.15596 1814.250       
153.2277 1606.027       115.3501 92.69714 3.937241 87.30669 3.146961 5.390442 
5.040360 
1 1 1 -9  13  23 f 78.92780 2.203284  1339.708       71.30103 1163.794       
108.8346 1471.981       94.37414 74.25363 3.491165 83.60197 2.688794 -9.348335 
4.406569 
1 1 1 -9  13  24 o 156.5119 2.468379  5167.869       152.9692 5200.143       
264.9982 5151.742       187.3313 156.7086 4.027829 156.3152 2.854502 0.3934631 
4.936759 
1 1 1 -9  13  25 o 75.24846 2.618794  1198.059       81.78162 1203.963       
125.6436 1193.719       107.7262 75.36124 3.971122 75.13568 3.415043 0.2255630 
5.237588 
1 1 1 -9  13  26 f 106.6872 2.585390  2416.245       115.6100 2266.716       
163.9982 2563.961       163.0009 103.3659 3.779052 110.0086 3.529267 -6.642708 
5.170780 
1 1 1 -9  13  27 o 112.6332 2.517871  2702.624       117.3878 2638.889       
180.6501 2749.204       154.4376 111.3660 3.863728 113.9004 3.229599 -2.534393 
5.035743 
1 1 1 -9  13  28 o 139.4481 2.555975  4090.850       135.2035 4260.752       
254.9351 4024.362       159.4791 141.0185 4.306007 137.8778 2.755056 3.140656 
5.111950 
1 1 1 -9  13  29 o 53.49828 3.638500  617.9799       80.15060 643.2274       
127.3216 601.4071       103.1552 54.23156 5.592052 52.76500 4.656573 1.466564 
7.276999 
1 1 1 -9  13  30 o 65.87930 3.425401  946.8173       91.06568 938.7983       
150.5030 951.4488       114.3800 65.32147 5.487950 66.43714 4.100720 -1.115669 
6.850803 
1 1 1 -9  13  31 o 27.24492 5.491750  123.1963       75.72132 350.5046       
128.1946 1.392203       93.84111 37.91426 8.282109 16.57557 7.214149 21.33869 
10.98350 
1 1 1 -9  13  32 o 139.2115 3.004636  4100.163       144.4335 4461.708       
315.0234 4003.935       162.5219 141.5059 5.302604 136.9171 2.827321 4.588806 
6.009273 
1 1 1 -9  13  33 o 34.97503 5.675974  299.5385       81.22347 379.0740       
125.8356 242.7347       106.3436 39.00311 7.960162 30.94696 8.093365 8.056143 
11.35195 
1 1 1 -9  13  34 o 72.61438 3.339288  1186.291       101.0436 1132.386       
149.9146 1231.163       136.7812 70.77183 5.045504 74.45694 4.375646 -3.685112 
6.678576 
1 1 1 -9  13  35 o 25.54321 5.950315  177.5326       78.79581 100.7725       
111.5750 253.9062       111.2937 20.91824 8.377806 30.16818 8.452065 -9.249939 
11.90063 
1 1 1 -9  14  1  o 242.5980 7.320595  12627.87       656.5875 12454.66       
1271.659 12690.84       766.6888 240.4424 12.59739 244.7535 7.461246 -4.311050 
14.64119 
1 1 1 -9  14  2  o 113.7165 3.757435  2686.380       142.1257 2793.412       
324.6903 2661.012       158.0742 114.9435 6.728308 112.4896 3.347108 2.453972 
7.514870 
1 1 1 -9  14  3  o 107.2930 3.567278  2440.670       128.9639 2401.506       
285.7016 2450.692       144.5258 106.6224 6.382417 107.9636 3.188519 -1.341187 
7.134557 
1 1 1 -9  14  4  o 95.53659 3.577066  1798.214       99.36005 2102.390       
276.0906 1752.957       106.4955 99.74501 6.592976 91.32817 2.777458 8.416840 
7.154132 
1 1 1 -9  14  5  o 97.76539 2.414685  1824.593       83.13652 2360.620       
184.3752 1687.795       93.14289 105.9053 4.146732 89.62552 2.475364 16.27974 
4.829370 
1 1 1 -9  14  6  o 237.4987 3.964888  11758.35       297.1487 12112.11       
724.6253 11686.83       325.8020 239.2432 7.214312 235.7541 3.291664 3.489090 
7.929776 
1 1 1 -9  14  7  o 56.67082 2.548362  666.5173       59.38272 719.0298       
95.53819 633.4576       75.80450 58.45568 3.892883 54.88596 3.289689 3.569725 
5.096724 
1 1 1 -9  14  8  o 78.98285 2.281451  1299.102       73.62418 1365.808       
120.0215 1258.857       93.22428 80.57856 3.547813 77.38713 2.869336 3.191429 
4.562901 
1 1 1 -9  14  9  o 174.2110 2.519360  6403.431       173.0388 6330.714       
301.1256 6439.280       211.4338 173.4040 4.136277 175.0181 2.877482 -1.614044 
5.038719 
1 1 1 -9  14  10 o 154.9465 2.305875  5012.941       140.9309 5156.307       
247.4334 4944.099       171.4609 156.5242 3.765287 153.3688 2.662864 3.155334 
4.611749 
1 1 1 -9  14  11 o 42.79170 3.145445  373.2778       55.45904 491.6757       
87.20198 292.8629       71.86584 48.30902 4.299512 37.27438 4.592330 11.03463 
6.290890 
1 1 1 -9  14  12 o 111.7510 2.097382  2500.245       87.80243 2907.139       
173.4729 2360.104       101.8060 117.5278 3.515705 105.9743 2.288200 11.55351 
4.194763 
1 1 1 -9  14  13 o 252.2085 4.445095  13397.77       442.0235 13696.39       
774.9698 13253.77       538.1446 253.8967 7.270240 250.5203 5.116549 3.376404 
8.890189 
1 1 1 -9  14  14 o 222.3351 3.772624  10392.61       329.3708 10613.15       
581.9985 10288.69       399.5022 223.7894 6.194460 220.8807 4.308067 2.908707 
7.545249 
1 1 1 -9  14  15 o 139.2216 2.396650  4091.095       134.9481 4043.730       
222.3903 4118.700       169.7784 138.5246 3.823932 139.9186 2.890202 -1.394028 
4.793299 
1 1 1 -9  14  16 o 196.3535 2.924449  8225.885       232.4450 7760.042       
377.3454 8510.744       295.0762 191.6905 4.688778 201.0164 3.496421 -9.325974 
5.848897 
1 1 1 -9  14  17 o 213.1827 3.238327  9226.389       243.7982 10284.15       
521.5840 8930.683       275.7787 220.3889 5.637099 205.9765 3.189070 14.41245 
6.476655 
1 1 1 -9  14  18 o 62.71101 2.411015  822.2042       62.21603 857.3328       
99.21063 799.4348       79.87370 63.78945 3.704507 61.63257 3.086843 2.156876 
4.822030 
1 1 1 -9  14  19 o 124.5607 2.594389  3283.792       133.8943 3172.912       
204.8153 3366.544       176.9388 122.6759 3.976713 126.4455 3.333043 -3.769547 
5.188778 
1 1 1 -9  14  20 o 182.7675 2.865943  7018.143       202.1404 7117.877       
368.2111 6975.118       241.8422 183.5201 4.778969 182.0148 3.164801 1.505325 
5.731886 
1 1 1 -9  14  21 o 121.6320 1.973614  3132.118       98.68517 3020.785       
154.7950 3208.352       128.0906 119.7653 3.078555 123.4988 2.470448 -3.733452 
3.947229 
1 1 1 -9  14  22 o 182.9436 3.367998  7116.192       252.8383 6969.078       
400.2036 7213.917       326.1787 181.1784 5.261330 184.7089 4.206191 -3.530457 
6.735995 
1 1 1 -9  14  23 o 99.14719 2.284294  2075.233       92.00660 2069.584       
150.3213 2078.617       116.3453 98.97502 3.617562 99.31936 2.790204 
-0.3443375     4.568587 
1 1 1 -9  14  24 o 25.87521 4.897106  114.4751       63.34584 281.5619       
100.4063 3.995865       81.64510 35.56498 6.973094 16.18545 6.877684 19.37953 
9.794211 
1 1 1 -9  14  25 o 32.71856 4.900259  247.5131       65.05509 185.4846       
102.7059 289.0743       84.07059 28.69009 8.145857 36.74703 5.449327 -8.056944 
9.800518 
1 1 1 -9  14  26 o 113.3265 3.151959  2752.190       148.6919 2619.082       
222.0337 2860.427       200.2184 110.6984 4.777475 115.9545 4.112799 -5.256042 
6.303918 
1 1 1 -9  14  27 o 62.18279 3.212599  825.3416       82.88554 844.5727       
127.9464 811.4348       108.8026 62.71741 4.859156 61.64817 4.203780 1.069244 
6.425198 
1 1 1 -9  14  28 o 54.07652 3.441240  631.8029       77.05063 625.4531       
118.7992 636.4135       101.2296 53.71596 5.267824 54.43708 4.429286 
-0.7211189     6.882481 
1 1 1 -9  14  29 o 82.33245 2.491814  1425.043       84.68491 1569.240       
134.9538 1331.383       108.7645 85.61885 3.754368 79.04605 3.277389 6.572800 
4.983629 
1 1 1 -9  14  30 o 57.97018 3.699564  717.7594       86.61319 810.0748       
147.0966 668.7670       107.1594 60.46154 5.794881 55.47883 4.600699 4.982708 
7.399127 
1 1 1 -9  14  31 o 15.01348 4.897233  -69.89278      67.13118 0.4835393E-01  
116.2069 -104.9246      82.24257 18.13540 7.959323 11.89156 5.707952 6.243844 
9.794465 
1 1 1 -9  14  32 o 42.65491 4.216904  409.0745       73.36043 427.1232       
119.4400 398.1412       92.96155 43.04367 6.609395 42.26616 5.238798 0.7775078 
8.433807 
1 1 1 -9  14  33 o 17.90497 5.511722  16.09837       77.23451 -12.20520      
123.4347 34.30961       99.01168 17.77757 7.971510 18.03237 7.613890 
-0.2547951     11.02344 
1 1 1 -9  14  34 o 30.62665 5.607496  242.8861       77.59888 138.5661       
107.5962 355.9611       112.0202 23.51081 8.487099 37.74249 7.331112 -14.23168 
11.21499 
1 1 1 -9  14  35 o 47.49449 4.616555  561.6136       86.33303 410.6363       
121.4698 715.7314       122.7266 39.60454 7.575796 55.38444 5.278033 -15.77990 
9.233110 
1 1 1 -9  15  1  o 245.2292 7.454173  12687.69       660.3409 13353.77       
1344.868 12476.10       758.0060 248.0360 12.91475 242.4223 7.447683 5.613739 
14.90835 
1 1 1 -9  15  2  o 114.1328 3.508396  2683.826       133.6132 2853.993       
305.6042 2643.610       148.5648 116.1541 6.266797 112.1115 3.156363 4.042664 
7.016792 
1 1 1 -9  15  3  o 146.4980 3.393401  4254.290       146.8527 4916.606       
399.2337 4150.653       157.9247 152.4763 6.236570 140.5196 2.676913 11.95670 
6.786801 
1 1 1 -9  15  4  o 155.8720 4.359923  4984.045       194.4381 5348.962       
539.1403 4929.487       208.4673 158.6539 8.094166 153.0901 3.243485 5.563797 
8.719846 
1 1 1 -9  15  5  o 69.99315 3.560911  967.9113       79.12888 1135.877       
197.4967 935.7921       86.36382 73.27806 6.419587 66.70823 3.083710 6.569832 
7.121823 
1 1 1 -9  15  6  o 152.2098 2.962534  4743.075       165.1419 5159.738       
333.1634 4607.357       190.1448 156.4003 5.073886 148.0193 3.059758 8.381027 
5.925069 
1 1 1 -9  15  7  o 248.2033 4.147714  12988.47       399.1542 13092.26       
719.7732 12942.37       479.6681 248.6072 6.896091 247.7993 4.610646 0.8078918 
8.295428 
1 1 1 -9  15  8  o 47.62823 2.861802  466.5832       56.45403 548.2902       
89.22397 412.0351       72.90238 51.01973 4.165474 44.23673 3.925363 6.783001 
5.723604 
1 1 1 -9  15  9  o 369.9172 4.596456  29016.17       663.7098 28858.84       
1177.921 29089.35       803.3824 368.5902 7.611905 371.2443 5.154466 -2.654053 
9.192911 
1 1 1 -9  15  10 o 271.9979 2.898746  15746.12       302.7147 15188.67       
549.4041 15989.13       362.7438 268.3014 4.877419 275.6944 3.133957 -7.393036 
5.797491 
1 1 1 -9  15  11 o 176.9445 2.215478  6594.266       149.3923 6569.987       
276.9716 6604.228       177.4120 176.6313 3.734984 177.2577 2.383960 
-0.6264343     4.430956 
1 1 1 -9  15  12 o 43.36127 3.119951  388.4974       56.18031 455.3005       
87.62209 341.8647       73.20845 46.45848 4.492310 40.26407 4.330765 6.194405 
6.239902 
1 1 1 -9  15  13 o 123.8421 2.018645  3219.814       101.0892 3249.924       
167.5583 3202.582       126.7563 124.2621 3.211799 123.4221 2.446233 0.8400192 
4.037290 
1 1 1 -9  15  14 o 260.2247 4.173210  14264.75       426.5002 14584.59       
753.4265 14113.93       517.3776 261.9393 6.851116 258.5100 4.767067 3.429230 
8.346420 
1 1 1 -9  15  15 o 268.8940 4.654854  15262.97       492.6566 15635.91       
866.8000 15085.01       598.7721 270.7639 7.625165 267.0241 5.341116 3.739777 
9.309708 
1 1 1 -9  15  16 f 211.2430 2.470650  9236.320       185.2901 9703.698       
388.1821 9098.411       210.8624 214.4615 4.311290 208.0245 2.414381 6.437073 
4.941301 
1 1 1 -9  15  17 o 103.4129 2.498930  2238.036       105.4426 2312.967       
171.8522 2192.796       133.5317 104.7536 3.907574 102.0722 3.116004 2.681412 
4.997861 
1 1 1 -9  15  18 o 86.07840 1.982559  1562.252       70.34641 1539.886       
110.0936 1577.684       91.45016 85.53848 3.065642 86.61832 2.514755 -1.079842 
3.965118 
1 1 1 -9  15  19 o 140.9980 2.379086  4054.515       125.3608 4478.488       
245.8834 3905.602       145.7226 145.7225 4.019052 136.2735 2.547044 9.449005 
4.758173 
1 1 1 -9  15  20 o 84.93728 2.277986  1495.408       78.23080 1607.532       
131.5421 1434.048       97.31014 87.32732 3.587862 82.54723 2.807868 4.780090 
4.555972 
1 1 1 -9  15  21 o 29.39516 5.182838  194.3076       63.07132 177.0838       
100.1947 205.6121       81.17179 28.31668 8.047518 30.47363 6.533354 -2.156954 
10.36568 
1 1 1 -9  15  22 o 249.8857 3.478107  13147.22       333.5872 13513.86       
614.9576 12994.35       397.0876 251.7910 5.817361 247.9804 3.814083 3.810638 
6.956214 
1 1 1 -9  15  23 o 116.7608 2.060862  2879.435       100.1176 2839.281       
151.5329 2910.542       133.3743 116.0004 3.111490 117.5213 2.703190 -1.520844 
4.121724 
1 1 1 -9  15  24 o 69.71254 2.458552  1029.713       70.73235 1016.749       
110.3052 1038.766       92.17882 69.29057 3.791777 70.13452 3.130548 
-0.8439560     4.917103 
1 1 1 -9  15  25 o 43.32953 3.859714  402.6281       70.19424 393.3069       
99.48045 411.8707       99.06017 42.81733 5.534000 43.84173 5.381860 -1.024399 
7.719428 
1 1 1 -9  15  26 o 180.8615 3.529994  7012.905       266.3275 7019.488       
399.7090 7007.648       357.1604 180.7225 5.268086 181.0004 4.700074 
-0.2779694     7.059988 
1 1 1 -9  15  27 o 88.28951 2.914030  1658.678       106.4321 1703.130       
166.1796 1627.763       138.5857 89.16577 4.439157 87.41325 3.776262 1.752518 
5.828059 
1 1 1 -9  15  28 o 99.42769 2.928980  2106.613       119.8219 2183.767       
190.7292 2056.308       154.0074 100.7300 4.510029 98.12537 3.738361 2.604622 
5.857961 
1 1 1 -9  15  29 o 82.18973 2.803046  1477.283       94.27902 1309.290       
145.4997 1598.864       123.7796 77.84470 4.451988 86.53476 3.407060 -8.690056 
5.606091 
1 1 1 -9  15  30 o 27.55202 5.516746  194.0224       71.04710 90.20273       
121.7479 247.6343       87.48881 22.45935 8.831120 32.64470 6.614322 -10.18535 
11.03349 
1 1 1 -9  15  31 o 22.82068 6.043548  105.2393       75.69148 135.2847       
125.8378 88.20610       94.74789 24.65063 9.143948 20.99073 7.904815 3.659903 
12.08710 
1 1 1 -9  15  32 o 63.86749 3.598275  925.5452       92.30246 835.9728       
149.5271 980.6905       117.3240 60.72539 5.865035 67.00959 4.170336 -6.284203 
7.196550 
1 1 1 -9  15  33 o 78.01721 3.087026  1340.523       96.09589 1350.401       
163.2087 1335.281       118.8886 77.63846 5.007113 78.39597 3.612166 
-0.7575073     6.174053 
1 1 1 -9  15  34 o 56.80880 3.860861  742.5929       91.90598 804.5682       
131.9949 684.2718       128.0445 59.24701 5.306543 54.37059 5.609420 4.876411 
7.721723 
1 1 1 -9  15  35 o 30.26464 6.055307  259.5874       81.52385 314.6983       
118.1047 209.4304       112.6714 33.58893 8.390743 26.94035 8.732834 6.648582 
12.11061 
1 1 1 -9  16  1  o 91.61629 3.693277  1762.757       135.8063 1811.196       
229.8508 1736.778       168.3303 92.49050 5.919295 90.74207 4.418499 1.748436 
7.386554 
1 1 1 -9  16  2  o 84.75426 3.072117  1461.663       93.71356 1618.591       
194.8008 1414.409       106.8960 87.51772 5.301709 81.99079 3.105398 5.526924 
6.144234 
1 1 1 -9  16  3  o 51.66586 3.857736  567.1047       71.76306 558.5466       
144.8698 569.8876       82.61103 51.31416 6.724524 52.01755 3.782764 
-0.7033882     7.715473 
1 1 1 -9  16  4  o 114.2645 3.055414  2653.250       114.9744 2914.733       
269.6656 2595.157       127.1062 117.4352 5.469507 111.0938 2.725198 6.341423 
6.110827 
1 1 1 -9  16  5  o 127.3801 3.816919  3296.423       135.1575 3608.646       
389.5734 3253.699       144.1083 130.3687 7.117656 124.3914 2.759430 5.977249 
7.633838 
1 1 1 -9  16  6  o 96.00438 2.483210  1922.225       92.78970 1988.015       
167.2797 1892.985       111.5191 97.13118 4.102094 94.87759 2.799670 2.253593 
4.966420 
1 1 1 -9  16  7  o 143.1175 2.292441  4275.369       129.7878 4413.130       
226.7509 4208.244       158.2800 144.7625 3.730904 141.4726 2.664864 3.289932 
4.584882 
1 1 1 -9  16  8  o 125.2352 1.968914  3319.485       100.8380 3201.923       
160.5555 3396.065       129.5840 123.3651 3.099946 127.1052 2.428337 -3.740173 
3.937827 
1 1 1 -9  16  9  o 236.7389 3.696853  11775.37       330.7530 11997.18       
624.8522 11689.03       389.8477 237.9446 6.254931 235.5333 3.942428 2.411346 
7.393707 
1 1 1 -9  16  10 o 210.2377 3.248112  9207.191       256.0504 9594.761       
492.7428 9063.822       299.6904 212.9881 5.510438 207.4873 3.440348 5.500748 
6.496224 
1 1 1 -9  16  11 o 226.4449 3.186374  10849.62       281.2312 10741.21       
500.1216 10899.74       340.0966 225.3937 5.285121 227.4961 3.560815 -2.102402 
6.372747 
1 1 1 -9  16  12 o 271.4304 3.491140  15406.66       353.2577 15915.63       
684.5508 15221.92       412.4131 274.0568 5.949578 268.8040 3.654414 5.252808 
6.982279 
1 1 1 -9  16  13 o 101.5632 2.254881  2165.269       93.87076 2199.267       
150.5068 2143.624       120.0907 102.1842 3.508271 100.9422 2.833724 1.242004 
4.509762 
1 1 1 -9  16  14 o 209.4785 2.809709  9283.110       231.1535 9161.084       
404.9768 9342.076       281.5164 208.2917 4.631048 210.6653 3.182964 -2.373627 
5.619419 
1 1 1 -9  16  15 f 178.8531 2.275031  6651.870       154.1865 6924.029       
291.6740 6546.321       181.6407 181.2565 3.832880 176.4498 2.451957 4.806641 
4.550063 
1 1 1 -9  16  16 o 85.86880 2.319115  1519.236       81.89897 1712.737       
132.5751 1399.820       104.1481 90.17879 3.501697 81.55881 3.041596 8.619980 
4.638231 
1 1 1 -9  16  17 o 53.47140 3.077595  617.6979       67.01363 533.5516       
104.1004 677.2444       87.57157 50.24795 4.934638 56.69485 3.679091 -6.446899 
6.155190 
1 1 1 -9  16  18 o 118.8429 2.311864  2956.193       111.2542 3040.650       
184.6143 2908.031       139.4128 120.1215 3.660712 117.5644 2.824543 2.557129 
4.623727 
1 1 1 -9  16  19 o 162.6534 2.733251  5568.686       175.8595 5613.436       
305.4379 5546.493       215.0877 163.0136 4.462931 162.2932 3.156723 0.7204132 
5.466503 
1 1 1 -9  16  20 o 100.3491 2.524432  2109.832       103.4363 2183.204       
168.2999 2065.294       131.1242 101.6903 3.942080 99.00785 3.154527 2.682426 
5.048864 
1 1 1 -9  16  21 o 157.3251 3.057925  5168.755       193.1823 5472.438       
328.8252 5008.697       238.7237 160.6360 4.875770 154.0141 3.691952 6.621902 
6.115851 
1 1 1 -9  16  22 o 70.90273 2.797635  1051.635       81.09273 1115.568       
132.1937 1013.060       102.6825 72.55436 4.339787 69.25111 3.531756 3.303253 
5.595271 
1 1 1 -9  16  23 o 35.47034 4.565888  277.9021       65.10923 260.5624       
101.4217 290.0577       84.91766 34.08759 7.298418 36.85311 5.488390 -2.765522 
9.131776 
1 1 1 -9  16  24 o 86.74040 2.622653  1588.433       94.50956 1630.742       
145.3216 1557.422       124.4142 87.68575 3.947500 85.79505 3.454051 1.890701 
5.245305 
1 1 1 -9  16  25 o 138.7509 3.777708  4107.036       219.3450 3831.556       
295.9947 4442.574       326.6702 133.6588 5.274818 143.8431 5.409307 -10.18430 
7.555415 
1 1 1 -9  16  26 o 49.84460 4.055976  552.5613       81.82135 398.0249       
117.8416 696.4146       113.6955 42.68959 6.575029 56.99961 4.751080 -14.31003 
8.111952 
1 1 1 -9  16  27 o 29.21819 5.603362  192.8797       70.86781 250.3323       
107.9922 149.4251       93.91931 32.78096 7.923153 25.65541 7.925547 7.125551 
11.20672 
1 1 1 -9  16  28 o 118.5597 2.690826  2983.018       129.3001 3101.012       
214.3741 2915.546       162.1062 120.1103 4.251216 117.0091 3.299901 3.101166 
5.381653 
1 1 1 -9  16  29 o 26.73545 5.826719  164.6573       71.60760 202.7130       
109.6821 136.3870       94.53471 29.05311 8.473251 24.41780 8.000415 4.635317 
11.65344 
1 1 1 -9  16  30 o 40.63840 4.997303  398.0174       78.92477 323.0207       
126.3826 445.9639       101.0519 36.34216 8.437990 44.93464 5.356537 -8.592487 
9.994607 
1 1 1 -9  16  31 o 48.57392 4.408157  555.4810       84.34544 462.0459       
137.7160 611.5674       106.6986 44.44322 7.380741 52.70462 4.822041 -8.261402 
8.816315 
1 1 1 -9  16  32 o 136.9570 3.532326  4157.226       190.6026 4224.298       
332.2864 4124.335       232.6894 136.4181 5.801786 137.4959 4.030955 -1.077789 
7.064653 
1 1 1 -9  16  33 o 89.03132 3.123545  1718.393       107.1550 1849.000       
197.3447 1663.786       127.6046 90.49876 5.194023 87.56387 3.471061 2.934891 
6.247091 
1 1 1 -9  16  34 f 26.92943 6.283864  197.1098       82.22467 236.3690       
124.5143 166.7506       109.4948 28.92538 9.160821 24.93348 8.603902 3.991905 
12.56773 
1 1 1 -9  16  35 o 30.03215 6.137233  259.3700       81.87366 289.2736       
119.1343 232.6061       112.7065 31.72338 8.691345 28.34093 8.667355 3.382450 
12.27447 
1 1 1 -9  17  1  o 101.8661 4.343939  2189.504       185.7771 0.000000       
0.000000 2189.504       185.7771 ?        ?        101.8661 4.343939 ? ? 
1 1 1 -9  17  2  o 78.52963 6.000644  1307.155       197.8383 1307.155       
197.8383 0.000000       0.000000 78.52963 6.000644 ?        ?        ? ? 
1 1 1 -9  17  3  o 90.84684 3.324221  1783.463       122.2413 1571.352       
194.2234 1922.602       157.3058 86.18803 5.367545 95.50565 3.923167 -9.317612 
6.648442 
1 1 1 -9  17  4  o 101.7919 3.079725  2161.969       103.0313 2224.867       
238.4672 2147.532       114.2448 102.5353 5.539572 101.0484 2.692947 1.486893 
6.159450 
1 1 1 -9  17  5  o 68.49857 3.263815  870.6183       75.47639 1202.295       
179.7656 799.6367       83.16143 75.36124 5.681716 61.63590 3.213729 13.72534 
6.527630 
1 1 1 -9  17  6  o 110.0863 2.407668  2469.417       101.9587 2756.733       
190.9622 2354.852       120.5849 114.3598 3.977362 105.8127 2.714414 8.547058 
4.815335 
1 1 1 -9  17  7  o 25.98518 4.902191  141.8314       53.26067 181.0973       
87.74950 118.9281       67.01728 28.62306 7.282417 23.34730 6.564474 5.275759 
9.804382 
1 1 1 -9  17  8  o 105.4999 2.533907  2324.993       107.7039 2412.901       
181.2113 2276.976       133.9263 106.9810 4.034592 104.0188 3.066727 2.962181 
5.067814 
1 1 1 -9  17  9  o 181.4760 2.759969  6865.666       194.7548 7143.065       
352.1800 6743.466       233.7480 183.9523 4.560164 178.9996 3.110404 4.952682 
5.519938 
1 1 1 -9  17  10 o 175.9046 3.101430  6585.737       225.2107 6192.585       
345.9653 6874.847       296.6776 171.2158 4.812933 180.5934 3.912946 -9.377686 
6.202860 
1 1 1 -9  17  11 o 115.5565 2.164043  2841.041       103.3196 2612.804       
157.1248 3014.906       137.1380 111.3925 3.359774 119.7204 2.728416 -8.327957 
4.328087 
1 1 1 -9  17  12 f 144.2952 2.155859  4270.648       118.9180 4650.467       
223.9678 4121.531       140.3333 148.5785 3.590466 140.0119 2.387355 8.566574 
4.311718 
1 1 1 -9  17  13 o 129.9206 2.787580  3500.182       145.2087 3751.522       
248.7206 3370.214       178.8546 133.3275 4.443377 126.5137 3.367314 6.813797 
5.575160 
1 1 1 -9  17  14 o 99.78941 2.181275  2087.087       90.38934 2152.723       
139.3951 2039.466       118.7356 101.1207 3.283437 98.45816 2.872435 2.662506 
4.362549 
1 1 1 -9  17  15 o 47.81663 3.261049  461.1307       63.91079 627.2990       
102.9790 357.0325       81.50725 54.51619 4.499293 41.11707 4.721664 13.39911 
6.522098 
1 1 1 -9  17  16 o 129.1605 2.499592  3474.597       131.9927 3684.040       
215.1628 3348.218       167.1366 132.2011 3.876621 126.1199 3.156524 6.081215 
4.999183 
1 1 1 -9  17  17 o 158.3963 2.232856  5274.190       135.7130 5301.351       
249.1913 5262.737       161.8160 158.5928 3.742575 158.1997 2.436334 0.3930664 
4.465713 
1 1 1 -9  17  18 o 88.69383 2.533318  1665.618       92.54749 1617.940       
144.5960 1698.703       120.4512 87.57676 3.932678 89.81090 3.194502 -2.234138 
5.066636 
1 1 1 -9  17  19 o 137.8560 2.907219  3990.357       160.7451 4094.015       
272.3905 3934.969       199.1120 139.0997 4.664303 136.6122 3.471595 2.487518 
5.814438 
1 1 1 -9  17  20 o 129.1727 2.979943  3538.937       156.2518 3489.082       
254.9729 3568.919       197.7308 128.3162 4.732969 130.0293 3.622048 -1.713089 
5.959885 
1 1 1 -9  17  21 o 68.17337 2.832931  1002.481       78.52457 897.5054       
124.0010 1072.761       101.4607 65.06001 4.539751 71.28672 3.390081 -6.226707 
5.665862 
1 1 1 -9  17  22 o 136.3017 2.301243  3979.024       129.1935 3581.810       
196.9605 4278.984       171.1589 130.1550 3.604453 142.4483 2.861958 -12.29330 
4.602487 
1 1 1 -9  17  23 o 53.21442 3.303333  607.7167       72.59263 571.3417       
111.2993 634.6470       95.76588 51.74355 5.123388 54.68529 4.171203 -2.941746 
6.606666 
1 1 1 -9  17  24 o 22.13680 5.683782  81.91071       71.58344 23.05476       
100.7018 142.0283       101.7753 18.66260 7.767729 25.61100 8.299631 -6.948404 
11.36756 
1 1 1 -9  17  25 o 169.2125 3.841218  6159.324       272.4918 6243.258       
397.2336 6084.725       374.4940 170.2013 5.559097 168.2237 5.302476 1.977539 
7.682436 
1 1 1 -9  17  26 o 18.58521 5.328667  26.72108       66.70261 -19.08307      
90.84771 80.29364       98.25004 15.83499 6.988620 21.33542 8.045989 -5.500438 
10.65733 
1 1 1 -9  17  27 o 110.4052 2.849271  2600.726       129.5515 2653.285       
204.8951 2565.720       167.2198 111.1307 4.391556 109.6796 3.631475 1.451149 
5.698542 
1 1 1 -9  17  28 o 162.1591 3.882246  5796.583       256.6619 5577.790       
410.2543 5937.291       328.9985 158.7683 6.154748 165.5498 4.733542 -6.781494 
7.764493 
1 1 1 -9  17  29 o 83.85873 2.519639  1514.958       88.23042 1391.271       
127.7680 1627.704       121.9861 80.46037 3.782345 87.25708 3.329895 -6.796707 
5.039279 
1 1 1 -9  17  30 o 56.69574 3.630999  720.8937       84.18966 642.5909       
130.0422 777.3937       110.4637 53.63803 5.774740 59.75345 4.403292 -6.115421 
7.261997 
1 1 1 -9  17  31 o 66.97755 3.561907  967.2584       96.37901 1094.922       
163.5677 899.3611       119.2861 69.87129 5.575962 64.08381 4.433662 5.787483 
7.123813 
1 1 1 -9  17  32 f 21.90379 5.493523  106.1757       71.39138 -9.280545      
120.3790 168.8142       88.66713 17.72886 7.912862 26.07871 7.622454 -8.349842 
10.98705 
1 1 1 -9  17  33 o 55.36929 3.981502  682.7587       89.48635 787.8958       
150.4279 625.1748       111.3270 58.09716 6.167291 52.64140 5.037257 5.455761 
7.963004 
1 1 1 -9  17  34 o 20.95410 6.050374  92.71182       82.50963 109.1121       
133.1004 82.47606       105.1511 21.95289 9.012871 19.95531 8.074419 1.997583 
12.10075 
1 1 1 -9  17  35 o 18.33852 5.503682  54.01676       73.15622 75.41126       
111.2989 37.74242       97.07140 19.45839 8.136834 17.21866 7.413097 2.239727 
11.00736 
1 1 1 -9  18  1  o 71.69415 3.807269  1094.404       108.4292 1065.436       
185.0104 1109.560       133.8202 70.87415 6.217695 72.51414 4.395619 -1.639999 
7.614539 
1 1 1 -9  18  2  o 146.8031 4.247092  4684.300       245.0536 4221.203       
417.6786 4927.382       302.6095 140.8574 7.062911 152.7489 4.718734 -11.89154 
8.494184 
1 1 1 -9  18  3  o 112.3766 6.250674  2679.174       294.9048 0.000000       
0.000000 2679.174       294.9048 ?        ?        112.3766 6.250674 ? ? 
1 1 1 -9  18  4  o 92.16575 3.891186  1760.007       138.0138 1893.086       
256.0666 1705.521       163.8494 94.42612 6.459246 89.90537 4.340906 4.520752 
7.782372 
1 1 1 -9  18  5  o 117.4932 3.955341  2899.334       156.4706 2962.246       
349.8966 2883.608       174.9372 117.9857 7.063686 117.0006 3.561352 0.9850540 
7.910682 
1 1 1 -9  18  6  o 43.42611 3.336583  381.1616       59.38911 483.7323       
97.76517 321.1755       74.76488 47.84853 4.866723 39.00369 4.565760 8.844841 
6.673166 
1 1 1 -9  18  7  o 45.41223 3.215254  434.1790       59.06452 439.8046       
97.87184 430.9564       74.07400 45.60915 5.111247 45.21531 3.902127 0.3938484 
6.430508 
1 1 1 -9  18  8  o 173.4402 2.610055  6244.498       177.5014 6599.322       
317.1761 6082.698       214.1817 176.8649 4.271494 170.0154 3.000648 6.849518 
5.220110 
1 1 1 -9  18  9  o 87.08553 2.246414  1616.668       80.71628 1468.917       
122.8025 1729.053       107.1017 83.51199 3.502509 90.65907 2.813883 -7.147079 
4.492828 
1 1 1 -9  18  10 o 182.9098 2.904298  7026.331       208.9256 7137.462       
367.6932 6973.344       253.8937 183.8298 4.764210 181.9899 3.322965 1.839905 
5.808596 
1 1 1 -9  18  11 o 85.16061 2.376958  1548.280       82.57719 1430.577       
130.6651 1626.551       106.5529 82.39429 3.777317 87.92694 2.886451 -5.532646 
4.753917 
1 1 1 -9  18  12 o 144.3440 2.586924  4391.432       154.2551 4378.186       
240.4388 4400.697       201.0949 144.1122 3.973971 144.5757 3.313042 
-0.4634247     5.173847 
1 1 1 -9  18  13 o 118.0944 2.196363  2941.123       104.4879 2914.127       
173.8971 2956.376       130.7154 117.6255 3.521373 118.5632 2.626019 
-0.9377441     4.392726 
1 1 1 -9  18  14 o 74.96397 2.445528  1164.524       75.40975 1275.766       
121.4943 1094.810       96.17860 77.81010 3.719126 72.11785 3.176558 5.692245 
4.891055 
1 1 1 -9  18  15 f 86.65305 2.170702  1494.464       74.88384 1851.792       
133.5854 1330.726       90.42766 93.76945 3.393272 79.53664 2.708040 14.23282 
4.341403 
1 1 1 -9  18  16 o 251.1374 3.236926  13215.70       303.6026 13559.09       
585.6627 13089.52       355.0312 252.9954 5.513863 249.2794 3.392354 3.715973 
6.473851 
1 1 1 -9  18  17 o 26.90002 5.228690  149.3673       61.69516 222.0497       
97.14112 100.2295       79.87228 31.61623 7.434893 22.18380 7.353853 9.432430 
10.45738 
1 1 1 -9  18  18 o 57.98547 3.027050  722.5631       71.82724 650.3950       
111.6791 773.4754       93.80181 55.42387 4.799501 60.54706 3.690109 -5.123188 
6.054100 
1 1 1 -9  18  19 o 149.3436 2.539642  4662.136       152.8851 4869.093       
257.2632 4549.141       190.0936 151.7734 4.037412 146.9138 3.081953 4.859573 
5.079285 
1 1 1 -9  18  20 o 75.21387 2.639465  1198.770       81.29156 1180.873       
129.6676 1210.359       104.3428 74.69259 4.134994 75.73514 3.281605 -1.042549 
5.278930 
1 1 1 -9  18  21 o 143.6942 2.378876  4325.826       131.9337 4451.830       
241.0841 4271.956       157.6329 145.0045 3.960118 142.3839 2.636983 2.620651 
4.757753 
1 1 1 -9  18  22 o 111.0387 2.701235  2632.664       122.4528 2516.550       
195.2410 2707.957       157.2189 108.8802 4.271133 113.1972 3.308186 -4.317001 
5.402469 
1 1 1 -9  18  23 o 38.42857 5.181162  330.8200       80.79205 463.9395       
117.2728 210.5639       111.4628 46.42542 6.016760 30.43172 8.436609 15.99370 
10.36232 
1 1 1 -9  18  24 o 30.39821 5.828167  210.3608       80.75837 300.6756       
113.3112 117.1241       115.1296 36.35795 7.663007 24.43848 8.783420 11.91947 
11.65633 
1 1 1 -9  18  25 o 24.91718 5.462623  136.0630       63.89403 103.7685       
87.89783 172.2473       93.04095 22.38589 7.710362 27.44846 7.740239 -5.062565 
10.92525 
1 1 1 -9  18  26 o 40.57430 4.978586  372.7049       82.14695 417.6007       
114.5254 325.1288       117.8945 43.64534 6.250074 37.50325 7.751248 6.142094 
9.957171 
1 1 1 -9  18  27 o 56.25385 3.544609  681.3918       83.40218 762.6307       
123.8885 614.0582       112.7884 59.31168 4.975214 53.19601 5.050173 6.115673 
7.089218 
1 1 1 -9  18  28 o 117.7165 2.491713  2959.453       120.6459 2990.137       
191.0842 2939.113       155.5762 118.0041 3.856993 117.4290 3.155652 0.5751114 
4.983426 
1 1 1 -9  18  29 o 55.12292 3.577852  672.9962       81.54264 623.2565       
123.5719 711.3602       108.5251 53.06001 5.547197 57.18584 4.520254 -4.125828 
7.155704 
1 1 1 -9  18  30 o 81.63660 3.044539  1403.098       101.1558 1651.011       
169.6543 1266.346       126.0036 86.79211 4.655922 76.48108 3.924190 10.31104 
6.089078 
1 1 1 -9  18  31 o 44.81957 4.951335  473.8705       86.20383 471.8562       
144.7278 474.9781       107.3173 43.69353 8.192101 45.94561 5.563486 -2.252075 
9.902671 
1 1 1 -9  18  32 o 35.15869 5.392871  292.6790       74.70940 368.6130       
127.2727 252.7590       92.28107 38.14807 8.182829 32.16930 7.026631 5.978767 
10.78574 
1 1 1 -9  18  33 o 50.16361 4.405218  553.9349       89.47525 759.6362       
153.2440 447.5375       110.2123 56.56472 6.452961 43.76250 5.998590 12.80222 
8.810436 
1 1 1 -9  18  34 o 30.73049 5.440961  224.3805       74.15147 426.1778       
123.3093 110.0712       92.80660 40.43449 7.544408 21.02648 7.842075 19.40801 
10.88192 
1 1 1 -9  19  1  o 148.5212 3.972903  4661.092       245.9796 4755.332       
372.1747 4587.996       327.7754 149.7802 5.918526 147.2621 5.301593 2.518036 
7.945807 
1 1 1 -9  19  2  o 157.3313 3.985301  5248.784       262.8610 5023.726       
376.1657 5463.557       367.4701 153.9860 5.818608 160.6767 5.447413 -6.690704 
7.970603 
1 1 1 -9  19  3  o 39.63895 5.562352  341.1165       85.60936 343.8255       
149.7272 339.8007       104.3489 39.25376 9.230158 40.02415 6.209929 
-0.7703934     11.12470 
1 1 1 -9  19  4  f 182.5911 5.087715  7118.230       388.2976 6822.705       
569.1888 7375.490       531.0630 178.8974 7.578329 186.2848 6.790310 -7.387451 
10.17543 
1 1 1 -9  19  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  19  6  o 142.6501 4.430541  4309.487       218.8362 4329.771       
468.9787 4303.841       247.4246 142.4407 7.842238 142.8594 4.125296 
-0.4186554     8.861081 
1 1 1 -9  19  7  o 122.4496 2.252989  3097.549       104.6752 3292.879       
198.5653 3022.377       123.1810 125.0047 3.783538 119.8945 2.447177 5.110168 
4.505978 
1 1 1 -9  19  8  o 227.0691 3.573360  10809.80       319.1495 11150.85       
563.5109 10648.74       387.2428 229.4198 5.850492 224.7184 4.104552 4.701462 
7.146720 
1 1 1 -9  19  9  o 134.4180 2.430975  3810.139       132.9936 3783.747       
216.0790 3826.234       168.7420 133.9895 3.841164 134.8464 2.980608 
-0.8569489     4.861950 
1 1 1 -9  19  10 o 150.2126 2.388141  4727.844       144.6624 4834.969       
242.0548 4668.320       180.4305 151.4669 3.806422 148.9582 2.885137 2.508713 
4.776282 
1 1 1 -9  19  11 f 87.65266 2.515362  1618.881       89.44839 1616.517       
146.6879 1620.281       112.8593 87.56250 3.990225 87.74282 3.063705 
-0.1803207     5.030724 
1 1 1 -9  19  12 o 143.9151 2.124430  4368.320       123.4618 4323.230       
204.2762 4394.269       154.9682 143.2784 3.395926 144.5517 2.553526 -1.273346 
4.248860 
1 1 1 -9  19  13 o 117.8931 2.499644  2952.027       120.6739 2814.676       
190.7785 3043.632       155.8021 115.5382 3.933009 120.2479 3.086149 -4.709686 
4.999288 
1 1 1 -9  19  14 o 48.80083 3.272949  481.0552       65.34609 667.5398       
104.6498 361.8734       83.66080 56.22586 4.433262 41.37579 4.816114 14.85006 
6.545897 
1 1 1 -9  19  15 o 119.5759 2.585783  2979.093       125.5851 3151.597       
208.1359 2880.335       157.4827 122.2070 4.056691 116.9447 3.207548 5.262283 
5.171566 
1 1 1 -9  19  16 o 25.78852 5.298485  138.4225       60.61642 188.2498       
95.45950 104.7562       78.46631 29.11877 7.692470 22.45827 7.288463 6.660509 
10.59697 
1 1 1 -9  19  17 o 177.5772 2.247191  6668.380       157.7316 6578.312       
272.8972 6713.564       193.2879 176.5533 3.681664 178.6012 2.577754 -2.047806 
4.494382 
1 1 1 -9  19  18 o 19.68623 5.075159  61.14317       55.29555 102.8394       
84.41415 29.80451       73.18243 22.50276 7.560048 16.86969 6.773082 5.633072 
10.15032 
1 1 1 -9  19  19 o 99.33265 2.289326  2075.305       92.28925 2108.305       
151.8477 2055.975       116.2173 99.89226 3.620742 98.77304 2.802550 1.119217 
4.578653 
1 1 1 -9  19  20 o 108.5536 2.161267  2495.520       97.79488 2141.165       
137.6022 2857.186       139.0143 100.7009 3.254716 116.4062 2.844489 -15.70532 
4.322534 
1 1 1 -9  19  21 o 125.0650 2.418587  3313.107       124.9475 3271.787       
194.2755 3342.255       163.1715 124.3166 3.722288 125.8134 3.089145 -1.496864 
4.837173 
1 1 1 -9  19  22 o 127.2573 2.965950  3469.298       151.5096 3340.250       
251.9827 3542.369       189.6132 125.1538 4.795651 129.3608 3.491298 -4.206932 
5.931900 
1 1 1 -9  19  23 o 53.53182 3.556621  616.4532       79.51350 575.0063       
115.8725 653.3398       109.3122 51.75812 5.332401 55.30552 4.707835 -3.547401 
7.113242 
1 1 1 -9  19  24 o 93.27509 3.044939  1859.265       118.9125 2031.792       
169.2169 1690.953       167.1376 97.61713 4.128943 88.93306 4.476431 8.684067 
6.089878 
1 1 1 -9  19  25 o 62.88612 3.404640  844.4517       89.09810 700.7641       
120.9062 1015.214       131.8057 56.99809 5.052534 68.77415 4.564886 -11.77606 
6.809279 
1 1 1 -9  19  26 o 103.4033 2.869169  2287.191       124.4607 2401.206       
180.0378 2182.829       172.2486 105.8714 4.050476 100.9353 4.064748 4.936111 
5.738339 
1 1 1 -9  19  27 o 49.90207 3.815754  544.8711       79.91405 542.1830       
114.3584 547.4365       111.7189 49.75211 5.474917 50.05204 5.316504 
-0.2999306     7.631509 
1 1 1 -9  19  28 o 23.36230 5.936995  111.1208       75.50380 161.5225       
111.6307 68.61990       102.5086 26.24191 8.693782 20.48269 8.087632 5.759220 
11.87399 
1 1 1 -9  19  29 o 151.8986 3.139813  5035.161       193.4528 4983.769       
315.7846 5066.035       244.7577 150.5455 4.996251 153.2517 3.804102 -2.706192 
6.279626 
1 1 1 -9  19  30 o 78.66432 2.955517  1310.304       96.04505 1571.662       
153.5048 1142.167       123.1222 84.83858 4.309726 72.49007 4.045563 12.34852 
5.911033 
1 1 1 -9  19  31 o 59.46452 3.845454  785.3026       92.63485 839.3204       
154.2121 754.8069       115.8694 60.54908 6.066412 58.37996 4.727441 2.169121 
7.690907 
1 1 1 -9  19  32 o 19.17164 5.711972  49.63027       74.24886 38.83413       
135.2876 54.28379       88.82090 20.03472 8.689885 18.30857 7.415685 1.726151 
11.42394 
1 1 1 -9  19  33 o 71.35518 3.367538  1118.791       98.90673 1324.694       
160.2788 992.1617       125.6930 76.23181 5.007962 66.47854 4.503505 9.753273 
6.735076 
1 1 1 -9  19  34 o 21.55494 5.779374  120.7596       74.09085 67.66213       
125.8318 148.9374       91.66570 19.69269 8.458163 23.41719 7.878079 -3.724503 
11.55875 
1 1 1 -9  20  1  o 117.5148 3.626437  2894.862       174.6507 3055.332       
282.4676 2795.546       222.2191 120.0273 5.605439 115.0023 4.602524 5.025002 
7.252873 
1 1 1 -9  20  2  o 52.81512 3.922836  585.0389       86.06234 631.9532       
133.6040 551.7658       112.5159 54.57992 5.830523 51.05033 5.249722 3.529591 
7.845672 
1 1 1 -9  20  3  o 17.02154 5.380510  -63.01536      79.08604 2.555549       
122.6820 -109.6397      103.4502 19.75994 8.414688 14.28314 6.707652 5.476803 
10.76102 
1 1 1 -9  20  4  o 99.12109 3.432294  2076.590       134.1692 2077.164       
233.9180 2076.308       163.7900 99.01389 5.627152 99.22829 3.931632 
-0.2144012     6.864588 
1 1 1 -9  20  5  o 119.6836 3.814831  3001.149       181.6854 3129.863       
314.2128 2936.499       222.6869 121.4387 6.162941 117.9285 4.497766 3.510132 
7.629662 
1 1 1 -9  20  6  o 243.1405 7.667544  12904.61       700.9827 12649.30       
1316.385 13005.66       828.1674 239.6346 13.08442 246.6464 7.997686 -7.011871 
15.33509 
1 1 1 -9  20  7  o 184.4332 5.581382  7204.475       432.1751 7204.475       
432.1751 0.000000       0.000000 184.4332 5.581382 ?        ?        ? ? 
1 1 1 -9  20  8  o 175.2223 3.770961  6389.495       268.4844 6921.986       
446.5805 6088.090       335.9841 180.6879 5.886971 169.7568 4.714250 10.93103 
7.541921 
1 1 1 -9  20  9  o 80.16683 2.346447  1346.653       77.59776 1389.114       
122.4934 1318.191       100.2873 81.19495 3.593392 79.13871 3.018409 2.056244 
4.692894 
1 1 1 -9  20  10 o 50.70698 3.012883  534.8925       63.53836 599.0367       
98.42252 489.0583       83.19771 53.26709 4.401052 48.14687 4.115896 5.120224 
6.025766 
1 1 1 -9  20  11 o 127.6304 2.568615  3372.592       133.2984 3671.369       
221.5921 3203.167       166.8658 131.9274 4.000739 123.3334 3.222610 8.594055 
5.137229 
1 1 1 -9  20  12 o 51.33300 2.980071  548.9232       63.53017 604.8368       
98.95571 509.7179       82.86189 53.51428 4.404456 49.15171 4.015478 4.362564 
5.960142 
1 1 1 -9  20  13 o 220.0733 3.397915  10246.40       286.0689 10242.43       
526.9353 10248.05       340.6382 219.6944 5.712938 220.4522 3.680443 
-0.7578430     6.795831 
1 1 1 -9  20  14 o 75.93067 2.413947  1214.878       76.23595 1218.877       
116.0767 1211.844       101.0968 76.01908 3.637001 75.84226 3.175024 0.1768188 
4.827893 
1 1 1 -9  20  15 o 51.00545 3.265156  562.6159       67.80113 494.2997       
106.0062 609.9102       88.20102 48.26849 5.231048 53.74241 3.909107 -5.473919 
6.530313 
1 1 1 -9  20  16 o 88.55575 2.430272  1599.749       88.03635 1896.656       
145.7102 1429.055       110.4816 94.78246 3.661702 82.32904 3.196377 12.45341 
4.860544 
1 1 1 -9  20  17 o 53.83328 3.230854  632.2362       70.55555 528.4174       
109.2887 706.4283       92.38821 49.85283 5.221637 57.81373 3.806332 -7.960899 
6.461707 
1 1 1 -9  20  18 o 116.3137 2.319457  2850.493       108.7072 2874.729       
181.5747 2836.953       135.7177 116.6084 3.708911 116.0189 2.786306 0.5894852 
4.638914 
1 1 1 -9  20  19 o 63.28129 2.895337  830.6863       75.21678 932.2205       
122.3526 769.0025       95.36577 66.27853 4.397051 60.28405 3.768003 5.994488 
5.790674 
1 1 1 -9  20  20 o 110.5177 2.591260  2578.801       117.6375 2617.578       
187.3678 2553.569       151.1389 111.1092 4.016667 109.9261 3.274889 1.183105 
5.182519 
1 1 1 -9  20  21 o 54.06377 3.339720  655.7087       70.19425 525.9648       
117.5204 727.6687       87.52160 49.50829 5.654006 58.61926 3.556280 -9.110973 
6.679439 
1 1 1 -9  20  22 o 180.1042 3.280169  6950.553       239.6572 6820.389       
390.8712 7028.964       303.3721 178.3482 5.220189 181.8602 3.973371 -3.512009 
6.560338 
1 1 1 -9  20  23 o 57.87399 3.678465  722.4818       88.92459 639.9658       
125.6490 805.2856       125.8680 54.47323 5.494107 61.27476 4.892770 -6.801529 
7.356929 
1 1 1 -9  20  24 o 29.27211 6.026566  198.7744       78.56023 206.0343       
108.5643 190.7939       113.8242 29.78066 8.349168 28.76357 8.693064 1.017096 
12.05313 
1 1 1 -9  20  25 o 115.8861 2.977099  2855.694       143.3173 2723.862       
187.7166 3039.928       221.9102 112.8453 3.962235 118.9269 4.444452 -6.081635 
5.954197 
1 1 1 -9  20  26 o 92.38335 3.038189  1837.310       117.8255 1799.495       
165.7907 1875.901       167.4830 91.41041 4.320017 93.35630 4.273151 -1.945892 
6.076378 
1 1 1 -9  20  27 o 18.29762 5.190731  43.93112       61.00931 64.26356       
89.10550 25.98748       83.70764 19.53349 7.582839 17.06175 7.090508 2.471739 
10.38146 
1 1 1 -9  20  28 o 36.14740 4.904460  299.1383       72.58390 378.4678       
108.1999 234.2285       97.87339 41.02331 6.282282 31.27149 7.533118 9.751822 
9.808921 
1 1 1 -9  20  29 o 25.00996 5.330991  141.9559       67.31342 51.67833       
94.88773 233.4145       95.50641 18.92684 7.665316 31.09308 7.410856 -12.16625 
10.66198 
1 1 1 -9  20  30 o 132.7609 3.511887  3918.728       195.2789 3685.593       
279.1586 4142.127       273.2679 128.5850 5.171085 136.9367 4.753240 -8.351669 
7.023774 
1 1 1 -9  20  31 o 46.77110 5.089916  565.2753       88.57791 359.5172       
137.6324 710.7601       115.7313 37.08842 8.932311 56.45377 4.882911 -19.36535 
10.17983 
1 1 1 -9  20  32 o 19.05550 5.605487  56.37768       72.10755 41.19170       
122.8690 64.35556       89.05634 19.35164 8.335886 18.75936 7.496596 0.5922813 
11.21097 
1 1 1 -9  20  33 o 82.93318 3.719374  1558.802       120.9719 1702.546       
215.6636 1492.810       146.1253 84.31085 6.092764 81.55550 4.267693 2.755348 
7.438748 
1 1 1 -9  20  34 o 28.54096 7.206390  257.9735       104.0994 294.3631       
192.2789 242.8846       123.8148 28.66593 11.13672 28.41599 9.148863 0.2499466 
14.41278 
1 1 1 -9  21  1  o 30.49529 5.866462  218.4650       86.32993 53.78603       
140.1901 319.0624       109.5700 22.99938 9.316142 37.99120 7.132390 -14.99182 
11.73292 
1 1 1 -9  21  2  o 167.7609 5.367005  5948.827       318.7419 6225.778       
667.3418 5866.973       362.7997 169.2423 9.392050 166.2795 5.196959 2.962814 
10.73401 
1 1 1 -9  21  3  o 34.16986 6.393171  266.7151       93.13988 219.6632       
146.3846 298.7203       120.7307 31.76355 9.911246 36.57616 8.078226 -4.812614 
12.78634 
1 1 1 -9  21  4  o 60.31213 3.886292  787.3804       93.63859 719.2895       
155.0030 826.5102       117.5032 58.10646 6.353848 62.51780 4.476794 -4.411335 
7.772584 
1 1 1 -9  21  5  o 150.0263 3.758621  4889.957       211.8375 4503.396       
393.3074 5047.921       251.4219 145.3947 6.443243 154.6578 3.872152 -9.263046 
7.517243 
1 1 1 -9  21  6  o 97.36609 3.685743  1968.931       134.7538 2099.224       
259.9613 1921.059       157.5769 99.32713 6.233929 95.40506 3.934072 3.922066 
7.371485 
1 1 1 -9  21  7  o 90.03974 2.798324  1716.620       105.3228 1640.323       
154.2126 1783.323       144.1900 88.13193 4.167808 91.94756 3.735218 -3.815628 
5.596649 
1 1 1 -9  21  8  o 172.9319 5.000342  6332.379       363.0393 0.000000       
0.000000 6332.379       363.0393 ?        ?        172.9319 5.000342 ? ? 
1 1 1 -9  21  9  o 95.31129 2.899663  1915.006       115.7455 1963.049       
170.6109 1874.040       157.5463 96.40094 4.215475 94.22166 3.982708 2.179283 
5.799327 
1 1 1 -9  21  10 o 194.8704 3.172594  7898.007       243.2337 7662.792       
294.2001 8406.055       432.3768 190.5930 3.676689 199.1478 5.171399 -8.554764 
6.345188 
1 1 1 -9  21  11 o 162.4292 2.259825  5546.663       140.5069 5591.101       
259.2263 5528.176       167.1979 162.7617 3.793568 162.0967 2.456845 0.6650391 
4.519651 
1 1 1 -9  21  12 o 50.49584 3.152062  545.5267       65.44276 506.2379       
101.3624 573.6100       85.69742 48.87457 4.939866 52.11712 3.916593 -3.242554 
6.304123 
1 1 1 -9  21  13 o 124.4847 2.422308  3217.512       120.2588 3431.566       
208.1320 3110.235       147.3438 127.4567 3.889531 121.5127 2.888226 5.943985 
4.844615 
1 1 1 -9  21  14 o 123.1346 2.633911  3174.428       130.6448 3300.775       
219.9494 3105.552       162.3961 124.9106 4.194154 121.3587 3.187322 3.551994 
5.267822 
1 1 1 -9  21  15 o 175.6073 3.414547  6549.664       243.3432 6527.867       
398.3195 6562.644       307.3723 175.1245 5.417583 176.0900 4.157681 
-0.9654388     6.829094 
1 1 1 -9  21  16 o 119.5163 2.626255  3001.526       125.7248 3080.261       
213.6602 2959.824       155.4949 120.5858 4.220351 118.4468 3.126900 2.139053 
5.252511 
1 1 1 -9  21  17 o 31.13889 4.873106  222.5658       62.68578 161.0494       
97.74105 265.5490       81.70167 27.00587 8.034211 35.27191 5.517255 -8.266033 
9.746212 
1 1 1 -9  21  18 o 87.70290 2.360322  1628.528       86.42109 1593.457       
128.4507 1657.531       116.8123 86.80535 3.524610 88.60043 3.140321 -1.795082 
4.720645 
1 1 1 -9  21  19 f 69.82744 2.627831  1014.787       75.83730 1132.189       
120.5538 937.8998       97.55940 73.07499 3.929462 66.57989 3.490175 6.495102 
5.255662 
1 1 1 -9  21  20 f 49.80274 3.425007  524.6522       70.33932 554.4609       
111.6680 505.0457       90.56420 50.89713 5.225848 48.70835 4.428679 2.188774 
6.850013 
1 1 1 -9  21  21 o 63.53445 3.303485  822.1739       84.76726 1010.367       
145.8891 726.2565       104.1526 68.67241 5.060129 58.39649 4.248194 10.27592 
6.606971 
1 1 1 -9  21  22 o 68.68821 3.080096  1031.097       84.02568 929.8879       
140.1406 1087.904       104.9909 65.78554 5.074049 71.59088 3.493132 -5.805344 
6.160191 
1 1 1 -9  21  23 o 122.0742 3.301334  3199.788       169.1797 3169.324       
240.1623 3229.797       238.3603 121.4738 4.709159 122.6747 4.628072 -1.200890 
6.602668 
1 1 1 -9  21  24 o 118.3553 3.066612  3002.982       152.1911 2938.360       
209.2333 3075.583       221.7753 117.0518 4.257687 119.6587 4.414584 -2.606918 
6.133225 
1 1 1 -9  21  25 o 77.60669 3.065638  1284.759       99.32167 1189.674       
132.1605 1408.154       150.5543 74.38293 4.232037 80.83045 4.436487 -6.447525 
6.131277 
1 1 1 -9  21  26 o 32.39673 5.823141  249.5172       81.04401 177.8104       
111.3121 330.4102       118.2273 27.39740 8.659994 37.39606 7.787194 -9.998665 
11.64628 
1 1 1 -9  21  27 o 73.40184 3.004788  1137.977       91.26585 915.9755       
119.6503 1446.851       141.1325 64.97698 4.386068 81.82670 4.108213 -16.84972 
6.009576 
1 1 1 -9  21  28 f 31.71198 5.816126  243.9052       78.35330 296.5073       
117.3510 201.5917       105.2506 34.78350 8.166668 28.64047 8.283407 6.143028 
11.63225 
1 1 1 -9  21  29 o 96.99426 3.020000  2059.488       122.6256 1950.982       
176.8281 2160.012       170.1995 94.35345 4.463900 99.63506 4.068808 -5.281609 
6.039999 
1 1 1 -9  21  30 o 81.42870 3.208940  1451.277       109.0770 1573.981       
165.3266 1356.693       145.1514 84.33533 4.669326 78.52206 4.403020 5.813271 
6.417881 
1 1 1 -9  21  31 o 84.62030 3.523620  1614.744       121.1906 1579.468       
195.6721 1636.698       154.3613 83.13021 5.606490 86.11040 4.269763 -2.980186 
7.047241 
1 1 1 -9  21  32 o 33.61766 5.207953  303.2204       72.25837 207.5141       
114.5436 366.4829       93.12663 27.48984 8.794557 39.74549 5.580937 -12.25565 
10.41591 
1 1 1 -9  21  33 o 26.49315 5.991000  208.1479       86.15192 77.21858       
139.5470 288.7852       109.5141 20.52808 8.863604 32.45822 8.062560 -11.93014 
11.98200 
1 1 1 -9  22  1  f 20.28289 5.868939  40.01412       77.31346 -22.83080      
141.0940 66.98065       92.42425 20.05328 8.785870 20.51250 7.783718 
-0.4592152     11.73788 
1 1 1 -9  22  2  o 74.43562 4.011162  1229.091       117.7058 1030.370       
194.6503 1343.646       147.7879 69.26584 6.693557 79.60539 4.421989 -10.33955 
8.022325 
1 1 1 -9  22  3  o 107.9319 3.860975  2507.087       168.2784 2382.448       
275.0425 2581.657       212.7435 105.5372 6.207483 110.3267 4.593002 -4.789528 
7.721950 
1 1 1 -9  22  4  o 89.07057 3.543631  1627.468       122.9212 1840.230       
225.5638 1537.594       146.6021 92.89504 5.783597 85.24610 4.096252 7.648941 
7.087261 
1 1 1 -9  22  5  o 202.8347 6.233349  8960.582       457.6228 8907.633       
913.8234 8978.305       528.6918 200.6313 10.84887 205.0380 6.141710 -4.406647 
12.46670 
1 1 1 -9  22  6  o 127.5843 4.289611  3470.196       208.4274 3481.619       
386.7048 3465.518       247.4454 127.2921 7.236011 127.8764 4.609035 
-0.5843430     8.579223 
1 1 1 -9  22  7  o 78.80244 3.437412  1319.640       105.9414 1310.603       
187.2304 1323.896       128.4887 78.45291 5.684447 79.15198 3.866556 
-0.6990662     6.874824 
1 1 1 -9  22  8  o 94.08433 2.753622  1866.058       107.6896 1903.198       
164.9967 1838.496       142.1390 94.85627 4.143147 93.31239 3.628232 1.543884 
5.507244 
1 1 1 -9  22  9  o 177.7076 3.955995  6727.417       290.9174 6691.789       
450.3127 6752.938       381.1271 177.0916 6.056717 178.3236 5.090753 -1.232040 
7.911990 
1 1 1 -9  22  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  22  11 o 236.5574 5.760638  12132.67       569.6136 11893.30       
840.6027 12335.91       774.5553 234.0278 8.555478 239.0870 7.716450 -5.059128 
11.52128 
1 1 1 -9  22  12 o 39.98228 3.836059  336.5667       63.75973 410.5689       
95.34606 276.7045       85.75446 43.93959 5.168539 36.02496 5.669886 7.914639 
7.672118 
1 1 1 -9  22  13 o 85.17342 2.686775  1561.120       92.92810 1417.959       
147.9239 1654.454       119.4388 81.80196 4.307205 88.54486 3.212945 -6.742897 
5.373549 
1 1 1 -9  22  14 o 72.90167 2.574679  1115.079       77.83556 1176.264       
121.1934 1072.123       101.5465 74.55730 3.871773 71.24603 3.394888 3.311272 
5.149358 
1 1 1 -9  22  15 o 97.03601 2.467543  2004.657       97.86213 1923.988       
155.7778 2057.249       125.7805 95.33102 3.892174 98.74100 3.034150 -3.409973 
4.935087 
1 1 1 -9  22  16 o 233.6167 3.726880  11433.16       309.4744 12054.42       
646.1847 11248.25       352.5345 236.6626 6.503513 230.5708 3.641819 6.091827 
7.453760 
1 1 1 -9  22  17 o 68.04602 2.580982  986.1870       73.22723 914.0071       
107.4771 1048.724       100.0403 65.66766 3.898392 70.42439 3.383551 -4.756737 
5.161964 
1 1 1 -9  22  18 o 15.07144 4.723025  -41.56439      59.57507 16.84347       
94.12924 -80.59579      76.94774 17.85714 7.476117 12.28574 5.773695 5.571395 
9.446051 
1 1 1 -9  22  19 o 43.48236 3.732689  397.7640       67.32826 454.4555       
105.6465 358.9914       87.36920 46.00976 5.469231 40.95495 5.081279 5.054810 
7.465379 
1 1 1 -9  22  20 o 26.28322 5.912539  154.0627       72.43583 130.1708       
122.4282 166.9311       89.84982 25.43672 9.065963 27.12972 7.592153 -1.692999 
11.82508 
1 1 1 -9  22  21 o 22.04506 5.892339  83.76428       72.18278 90.71140       
122.1523 80.03681       89.47611 23.19044 8.904910 20.89968 7.718887 2.290768 
11.78468 
1 1 1 -9  22  22 o 75.87341 3.032616  1220.492       92.95821 1275.313       
155.4731 1189.990       115.9706 76.99850 4.809434 74.74831 3.695454 2.250198 
6.065232 
1 1 1 -9  22  23 o 48.01157 3.531503  497.3243       71.08548 518.4692       
103.9308 478.7370       97.44265 48.95073 5.057155 47.07242 4.930644 1.878315 
7.063007 
1 1 1 -9  22  24 o 27.99142 6.050805  183.6747       77.81628 166.9563       
109.3636 200.8187       110.7471 26.85557 8.593575 29.12726 8.520530 -2.271690 
12.10161 
1 1 1 -9  22  25 o 68.78230 2.999857  1022.633       86.41763 1083.284       
120.8890 959.2496       123.5814 70.95063 4.058371 66.61397 4.418846 4.336662 
5.999715 
1 1 1 -9  22  26 o 21.57136 6.020309  79.47533       80.28247 82.01427       
110.9949 76.68975       116.2612 21.57408 8.444968 21.56864 8.582483 
0.5445480E-02  12.04062 
1 1 1 -9  22  27 o 39.95869 4.536201  359.9958       75.69395 346.5403       
101.2488 377.0454       113.9720 39.23569 6.146525 40.68171 6.672983 -1.446018 
9.072401 
1 1 1 -9  22  28 f 23.76426 5.634349  114.1327       77.91124 -14.26411      
114.0609 226.4411       106.6757 17.34969 7.724138 30.17883 8.204952 -12.82914 
11.26870 
1 1 1 -9  22  29 o 42.86187 4.600560  422.6793       82.58578 461.8789       
121.5303 389.0459       112.5714 44.71956 6.473034 41.00418 6.539147 3.715382 
9.201120 
1 1 1 -9  22  30 o 25.44975 5.733119  136.1844       75.61578 277.9301       
118.9975 40.18794       97.92884 32.70098 8.565645 18.19851 7.622622 14.50247 
11.46624 
1 1 1 -9  22  31 o 29.43999 6.378163  230.9322       85.74583 285.5347       
132.7345 191.8270       112.3296 32.08490 9.309610 26.79507 8.720953 5.289835 
12.75633 
1 1 1 -9  22  32 o 27.36926 5.977546  164.7507       88.07207 393.0288       
141.0897 19.01091       112.7333 37.20037 9.096986 17.53814 7.756872 19.66223 
11.95509 
1 1 1 -9  22  33 o 35.60213 8.185887  486.8607       149.9723 378.9722       
252.8587 545.4093       186.2724 30.08231 12.39863 41.12196 10.69153 -11.03965 
16.37177 
1 1 1 -9  23  1  o 21.74557 6.131053  60.45820       81.64768 58.67205       
136.9743 61.44261       101.6878 22.78098 9.216494 20.71015 8.087985 2.070835 
12.26211 
1 1 1 -9  23  2  o 105.1167 3.277691  2346.186       137.4489 2365.860       
234.4499 2335.883       169.6645 105.2341 5.306577 104.9994 3.848801 0.2347717 
6.555382 
1 1 1 -9  23  3  o 75.04158 3.616903  1178.788       109.5924 1280.612       
185.1241 1123.849       135.9805 77.34895 5.700718 72.73421 4.453063 4.614738 
7.233807 
1 1 1 -9  23  4  o 112.7128 4.205614  2761.586       188.7161 2590.001       
316.7489 2856.011       234.9730 109.5705 6.885611 115.8552 4.830850 -6.284668 
8.411228 
1 1 1 -9  23  5  o 46.57332 4.716599  488.8393       83.59647 423.9605       
140.8624 524.1125       103.8643 43.52817 8.007868 49.61847 4.985907 -6.090298 
9.433197 
1 1 1 -9  23  6  o 89.29915 3.488933  1738.142       123.9254 1557.820       
205.7577 1840.789       155.2408 85.36351 5.741229 93.23478 3.965967 -7.871269 
6.977865 
1 1 1 -9  23  7  o 90.76463 3.300068  1742.843       118.8250 1772.761       
205.4965 1727.815       145.6419 91.17262 5.368602 90.35664 3.839258 0.8159790 
6.600135 
1 1 1 -9  23  8  o 53.99500 3.691527  612.7017       82.94942 685.5992       
128.0837 560.0416       108.8626 56.69838 5.380768 51.29161 5.055376 5.406773 
7.383054 
1 1 1 -9  23  9  o 94.24550 3.033206  1882.648       119.9884 1839.750       
167.5479 1927.812       171.9148 93.14504 4.284501 95.34595 4.294693 -2.200905 
6.066411 
1 1 1 -9  23  10 o 63.83223 3.329206  864.2061       88.26944 877.5858       
135.4823 854.3380       116.3535 64.20616 5.026052 63.45830 4.367292 0.7478638 
6.658411 
1 1 1 -9  23  11 o 94.20926 2.960280  1886.809       116.7561 1769.448       
167.7046 1997.199       162.6477 91.31586 4.374414 97.10266 3.989678 -5.786797 
5.920560 
1 1 1 -9  23  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  23  13 o 46.05293 4.031856  452.3292       76.80176 463.5593       
119.9104 444.5178       100.0070 46.46369 6.147014 45.64218 5.218972 0.8215141 
8.063711 
1 1 1 -9  23  14 o 79.92822 2.546603  1320.702       83.81519 1509.990       
135.3281 1202.907       106.7551 84.42654 3.817948 75.42990 3.371057 8.996635 
5.093206 
1 1 1 -9  23  15 o 111.5324 2.379027  2639.909       108.6428 2589.200       
173.1187 2672.856       139.5421 110.5504 3.729965 112.5144 2.954054 -1.963951 
4.758054 
1 1 1 -9  23  16 o 109.7821 2.194384  2544.872       96.83775 2555.126       
162.4256 2539.218       120.6193 109.8467 3.521994 109.7175 2.618556 0.1291275 
4.388767 
1 1 1 -9  23  17 f 25.32686 5.372661  140.3059       60.97110 159.2328       
94.79304 126.9504       79.62831 26.67077 7.907559 23.98295 7.275469 2.687824 
10.74532 
1 1 1 -9  23  18 o 101.0407 2.548738  2136.971       104.6354 2280.196       
173.5095 2055.115       131.1711 103.5443 3.991334 98.53715 3.170729 5.007179 
5.097477 
1 1 1 -9  23  19 o 37.30679 5.009147  311.6444       70.64520 308.2657       
128.0075 313.1242       84.71446 36.47340 8.507463 38.14017 5.290491 -1.666775 
10.01829 
1 1 1 -9  23  20 o 93.26907 3.049243  1825.089       114.4423 1982.464       
194.8042 1742.151       141.4188 96.06415 4.830121 90.47401 3.723098 5.590141 
6.098486 
1 1 1 -9  23  21 o 56.40699 3.646506  683.2243       84.60730 710.4039       
134.8202 665.5658       108.6700 57.17473 5.616578 55.63924 4.652105 1.535492 
7.293012 
1 1 1 -9  23  22 f 26.02508 5.867076  157.8303       73.10316 106.1840       
123.9180 185.3985       90.53549 23.81170 9.019511 28.23846 7.505915 -4.426758 
11.73415 
1 1 1 -9  23  23 o 93.72318 3.033500  1894.056       119.1390 1801.571       
170.6810 1981.937       166.3773 91.40096 4.447906 96.04539 4.126091 -4.644432 
6.067000 
1 1 1 -9  23  24 o 35.50127 4.822883  288.4110       69.59643 284.1220       
106.6898 291.5880       91.82322 34.73286 7.528468 36.26969 6.030172 -1.536835 
9.645766 
1 1 1 -9  23  25 o 57.66362 3.917311  729.4173       93.88885 599.6340       
127.6701 882.2728       138.5545 51.94793 5.853856 63.37931 5.207079 -11.43139 
7.834622 
1 1 1 -9  23  26 f 27.00989 5.966115  162.3418       82.23476 62.00690       
112.4587 277.6502       120.5584 20.51565 8.330485 33.50413 8.542898 -12.98848 
11.93223 
1 1 1 -9  23  27 o 17.46421 5.124677  32.41353       62.12514 11.88880       
91.81667 49.74452       84.37122 16.77017 7.214722 18.15824 7.279908 -1.388071 
10.24935 
1 1 1 -9  23  28 o 48.51448 4.259948  526.9525       85.76527 651.5533       
130.0499 431.0545       114.0917 53.66101 5.772608 43.36794 6.266230 10.29307 
8.519897 
1 1 1 -9  23  29 o 96.27879 3.147050  2058.157       125.0333 1971.536       
192.7804 2121.051       164.2696 94.03913 4.882872 98.51844 3.971556 -4.479309 
6.294100 
1 1 1 -9  23  30 o 27.51585 5.497865  188.9143       70.67213 282.6727       
103.2497 106.2660       96.93948 33.50403 7.524895 21.52766 8.017609 11.97637 
10.99573 
1 1 1 -9  23  31 o 23.22660 5.772476  123.3856       82.56331 -15.91550      
123.3385 236.4881       111.1367 17.11627 7.790025 29.33693 8.520648 -12.22066 
11.54495 
1 1 1 -9  23  32 o 16.13255 5.352518  -47.99578      88.34739 -40.26862      
144.5505 -52.60346      111.6222 17.21964 8.057606 15.04545 7.047893 2.174185 
10.70504 
1 1 1 -9  24  1  o 60.65560 4.110950  831.9893       96.36618 686.5491       
164.2829 908.2849       118.9873 56.04901 6.981447 65.26219 4.342701 -9.213181 
8.221901 
1 1 1 -9  24  2  o 114.4900 3.610305  2810.446       170.2567 2797.764       
267.4781 2819.083       220.7527 114.0442 5.586453 114.9359 4.574794 
-0.8916931     7.220609 
1 1 1 -9  24  3  o 62.43729 3.900945  845.6003       98.49149 803.4370       
160.3136 871.1636       124.8277 60.97244 6.262645 63.90214 4.652823 -2.929699 
7.801889 
1 1 1 -9  24  4  f 115.1511 3.563883  2819.611       167.4427 2898.276       
272.3271 2771.794       212.3190 116.2002 5.582194 114.1020 4.432172 2.098213 
7.127766 
1 1 1 -9  24  5  o 135.7619 3.613468  3920.113       190.9857 3992.700       
342.2429 3887.286       230.1551 136.2175 5.984427 135.3064 4.051572 0.9111633 
7.226936 
1 1 1 -9  24  6  o 122.8305 3.368056  3196.704       155.8022 3260.646       
295.7020 3172.132       183.3110 123.2639 5.713987 122.3971 3.567291 0.8668518 
6.736113 
1 1 1 -9  24  7  o 101.5984 3.208572  2172.578       129.9692 2274.356       
223.9706 2120.905       159.5877 103.1653 5.171049 100.0315 3.799999 3.133720 
6.417145 
1 1 1 -9  24  8  o 106.4226 3.036067  2406.840       135.4903 2255.221       
190.1678 2563.156       193.0901 102.9866 4.398224 109.8586 4.186459 -6.872055 
6.072134 
1 1 1 -9  24  9  o 28.38167 5.414506  180.6488       71.96332 76.66791       
104.3734 274.8711       99.35497 21.71579 8.262435 35.04755 6.999976 -13.33176 
10.82901 
1 1 1 -9  24  10 o 66.91876 3.349639  962.5066       92.78526 897.8777       
140.7262 1012.208       123.4090 64.81860 5.171258 69.01892 4.258921 -4.200317 
6.699277 
1 1 1 -9  24  11 o 58.26077 3.441103  733.9765       82.87256 649.2432       
123.7958 802.7833       111.5565 55.07401 5.354023 61.44752 4.324256 -6.373508 
6.882206 
1 1 1 -9  24  12 o 81.44124 3.020632  1412.741       102.5011 1388.764       
153.9810 1431.819       137.3561 80.75215 4.541865 82.13033 3.983507 -1.378181 
6.041263 
1 1 1 -9  24  13 o 76.70750 2.965746  1244.711       95.14266 1320.804       
142.2925 1183.184       127.9513 78.79186 4.301519 74.62315 4.084060 4.168709 
5.931493 
1 1 1 -9  24  14 o 21.64139 8.446150  69.55459       110.8561 69.55459       
110.8561 0.000000       0.000000 21.64139 8.446150 ?        ?        ? ? 
1 1 1 -9  24  15 o 86.30122 3.017433  1585.890       107.2895 1588.808       
168.7592 1583.911       138.9957 86.24763 4.660596 86.35482 3.833856 
-0.1071930     6.034866 
1 1 1 -9  24  16 o 44.89398 3.443663  431.4404       63.98284 433.1513       
99.20819 430.2219       83.72115 44.89495 5.263457 44.89301 4.441989 
0.1937866E-02  6.887325 
1 1 1 -9  24  17 o 32.22490 4.721965  255.9316       62.84543 120.0509       
97.24001 353.3999       82.35647 23.85408 8.114082 40.59571 4.832130 -16.74163 
9.443931 
1 1 1 -9  24  18 o 56.05819 3.632025  673.6425       81.91968 688.9738       
137.5182 665.2094       101.9908 56.34840 5.812991 55.76797 4.356093 0.5804329 
7.264049 
1 1 1 -9  24  19 o 123.8297 2.868035  3292.847       142.4822 3219.117       
238.1022 3333.977       177.8378 122.4123 4.632968 125.2472 3.382027 -2.834869 
5.736070 
1 1 1 -9  24  20 o 50.01428 4.059626  571.9002       79.48866 458.9601       
130.6735 638.2383       100.1486 45.50710 6.839578 54.52146 4.375205 -9.014355 
8.119251 
1 1 1 -9  24  21 o 64.76422 3.240813  893.3897       84.91715 946.5033       
141.9144 863.7661       105.9847 66.03175 5.119113 63.49669 3.975696 2.535057 
6.481627 
1 1 1 -9  24  22 o 81.09317 2.736825  1414.882       91.19665 1385.682       
143.6608 1434.592       118.0276 80.20655 4.266283 81.97978 3.429240 -1.773232 
5.473651 
1 1 1 -9  24  23 o 94.14340 3.020411  1914.670       119.2879 1898.742       
171.6675 1929.542       165.8785 93.70728 4.363508 94.57953 4.177477 
-0.8722534     6.040821 
1 1 1 -9  24  24 o 126.6140 3.142480  3485.323       166.7175 3384.696       
241.1168 3577.500       230.7717 124.7056 4.605350 128.5225 4.276854 -3.816887 
6.284960 
1 1 1 -9  24  25 o 56.30711 3.439919  698.2365       80.14399 678.7678       
123.0929 712.5627       105.5910 55.39952 5.292343 57.21470 4.395823 -1.815182 
6.879837 
1 1 1 -9  24  26 f 37.54255 5.241410  341.3557       85.36507 114.7411       
116.4661 604.4338       125.4868 23.20616 8.757613 51.87893 5.761401 -28.67277 
10.48282 
1 1 1 -9  24  27 o 20.33702 5.722382  56.53260       76.81829 131.2994       
112.7705 -8.196648      104.9279 23.84445 8.680736 16.82959 7.458381 7.014862 
11.44476 
1 1 1 -9  24  28 o 69.68454 3.467713  1077.228       101.1267 1144.632       
150.5143 1021.764       136.5350 71.57484 5.008857 67.79424 4.797029 3.780594 
6.935426 
1 1 1 -9  24  29 o 55.66143 3.837496  704.3382       89.56408 727.8141       
130.6603 683.5305       123.0110 56.46668 5.511532 54.85618 5.341208 1.610500 
7.674991 
1 1 1 -9  24  30 o 65.56657 3.173539  964.5686       87.24326 918.0472       
124.0171 1010.147       122.7537 63.87097 4.624867 67.26218 4.346952 -3.391205 
6.347077 
1 1 1 -9  24  31 o 78.33277 3.729016  1457.437       118.6750 1295.021       
184.9591 1571.093       154.7231 73.38434 6.003346 83.28120 4.425164 -9.896866 
7.458032 
1 1 1 -9  25  1  f 59.65380 3.936825  791.7754       93.94900 698.9922       
152.9059 848.0453       119.0771 56.43996 6.452954 62.86763 4.511512 -6.427670 
7.873650 
1 1 1 -9  25  2  o 61.78706 3.690506  779.1594       88.50624 942.8776       
165.3603 713.4282       104.7777 65.82546 5.983543 57.74866 4.321635 8.076797 
7.381011 
1 1 1 -9  25  3  o 109.3796 4.038698  2624.938       176.8084 2468.870       
293.3067 2714.021       221.5965 106.2465 6.575494 112.5126 4.691185 -6.266151 
8.077396 
1 1 1 -9  25  4  o 114.1591 3.958004  2788.939       171.9104 2877.481       
321.1590 2753.381       203.5228 114.7442 6.666691 113.5740 4.268302 1.170250 
7.916008 
1 1 1 -9  25  5  o 62.78229 3.651205  843.0498       93.10702 863.2068       
152.9684 831.1873       117.3483 63.19562 5.765486 62.36897 4.481560 0.8266525 
7.302411 
1 1 1 -9  25  6  o 110.4117 3.711666  2631.218       155.9668 2592.288       
288.0222 2647.370       185.5213 109.2778 6.277911 111.5456 3.961525 -2.267845 
7.423331 
1 1 1 -9  25  7  o 23.95175 6.221838  56.46616       86.63486 218.2843       
145.6560 -32.12141      107.7708 31.00405 9.917128 16.89945 7.516357 14.10460 
12.44368 
1 1 1 -9  25  8  o 39.25246 5.667295  352.5186       84.69247 331.4075       
153.4577 361.7652       101.5602 37.58621 9.670733 40.91871 5.911840 -3.332500 
11.33459 
1 1 1 -9  25  9  o 35.40807 5.144320  280.5017       75.31152 200.1708       
104.0823 368.7786       109.1086 29.58111 8.132312 41.23503 6.302511 -11.65392 
10.28864 
1 1 1 -9  25  10 o 68.82300 3.214855  994.9675       91.55770 1108.054       
144.8277 919.6844       118.1666 71.96104 4.793747 65.68495 4.284993 6.276093 
6.429710 
1 1 1 -9  25  11 o 64.58157 3.385266  898.9439       90.95372 770.5454       
129.6575 1023.344       127.6226 59.90992 5.154899 69.25323 4.389434 -9.343315 
6.770533 
1 1 1 -9  25  12 o 99.34557 3.091560  2118.533       127.7319 2005.958       
191.1674 2209.326       171.6802 96.81899 4.702994 101.8722 4.014077 -5.053162 
6.183120 
1 1 1 -9  25  13 o 33.09474 5.502726  257.5121       75.30235 204.8507       
115.0136 297.0234       99.62384 29.84883 8.667562 36.34064 6.781840 -6.491810 
11.00545 
1 1 1 -9  25  14 o 44.73125 4.197229  427.6466       77.17197 464.8815       
124.3313 404.3110       98.42723 46.17113 6.414029 43.29137 5.415456 2.879757 
8.394459 
1 1 1 -9  25  15 o 61.62204 4.180435  810.9402       108.1525 0.000000       
0.000000 810.9402       108.1525 ?        ?        61.62204 4.180435 ? ? 
1 1 1 -9  25  16 o 99.19928 3.707668  2132.202       149.7480 2154.451       
190.6590 2096.377       241.9349 100.2305 4.530839 98.16808 5.870152 2.062386 
7.415335 
1 1 1 -9  25  17 o 23.51060 6.000790  111.1392       76.73748 78.64534       
117.0830 135.6084       101.6024 22.16989 8.674443 24.85132 8.294090 -2.681433 
12.00158 
1 1 1 -9  25  18 o 86.95036 2.878728  1601.438       101.9705 1689.676       
167.4781 1549.458       128.5431 88.64486 4.500136 85.25586 3.591249 3.389000 
5.757455 
1 1 1 -9  25  19 o 38.81044 4.914445  332.0225       75.63520 374.7776       
126.6163 308.3014       94.31115 40.15843 7.787857 37.46244 5.996365 2.695992 
9.828891 
1 1 1 -9  25  20 o 51.76177 3.634642  561.4321       74.59785 650.4629       
132.5786 520.1873       90.23760 54.39730 5.805200 49.12623 4.375172 5.271072 
7.269283 
1 1 1 -9  25  21 o 28.71112 5.624539  153.5540       74.91605 349.5266       
128.9630 53.73779       92.03821 38.25981 8.263376 19.16244 7.632718 19.09736 
11.24908 
1 1 1 -9  25  22 o 22.56994 5.924763  85.94592       75.10645 166.9965       
122.0021 36.48381       95.30716 26.72939 9.088673 18.41050 7.603109 8.318888 
11.84953 
1 1 1 -9  25  23 o 145.2267 3.431314  4606.287       207.3517 4677.347       
315.6588 4552.352       275.0058 145.8305 5.155734 144.6228 4.529247 1.207687 
6.862629 
1 1 1 -9  25  24 o 58.03435 3.619509  745.5798       87.81374 709.3719       
128.0351 777.7404       120.6669 56.54365 5.393446 59.52505 4.828470 -2.981407 
7.239018 
1 1 1 -9  25  25 o 82.75053 3.102938  1495.056       107.6912 1404.392       
149.9679 1591.582       154.7410 80.10976 4.458964 85.39130 4.316311 -5.281540 
6.205876 
1 1 1 -9  25  26 o 73.91904 3.113776  1200.030       96.50711 1171.794       
138.9335 1226.358       134.1553 72.98142 4.534356 74.85664 4.268727 -1.875221 
6.227553 
1 1 1 -9  25  27 o 74.02081 3.361135  1214.950       104.1289 1240.721       
154.0039 1193.245       141.3318 74.60066 4.917113 73.44095 4.583768 1.159714 
6.722271 
1 1 1 -9  25  28 o 25.51902 6.123211  158.4662       81.20827 237.2648       
120.4856 92.86903       109.9305 29.79841 8.931391 21.23963 8.378848 8.558781 
12.24642 
1 1 1 -9  25  29 o 29.93762 6.143661  244.8994       81.91605 229.8955       
119.8092 258.0704       112.2532 28.85389 8.959186 31.02136 8.409000 -2.167475 
12.28732 
1 1 1 -9  25  30 o 21.00101 5.847230  81.78078       81.78992 186.5933       
120.2510 -8.449484      111.5727 25.53407 8.996579 16.46796 7.471410 9.066109 
11.69446 
1 1 1 -9  25  31 o 37.73112 7.110206  482.3671       112.5042 403.9339       
258.4207 500.7092       124.9686 30.68225 12.57120 44.77999 6.647188 -14.09774 
14.22041 
1 1 1 -9  26  1  f 22.25269 6.221603  78.49688       83.33137 91.30620       
138.2147 71.18147       104.4505 23.58919 9.366797 20.91618 8.191244 2.673008 
12.44321 
1 1 1 -9  26  2  o 27.05290 6.011911  168.5523       74.93274 168.7110       
120.6601 168.4527       95.60281 27.18137 9.038549 26.92443 7.929497 0.2569466 
12.02382 
1 1 1 -9  26  3  o 53.62122 4.097908  646.7800       88.31277 552.0021       
140.4195 708.8000       113.5901 49.91636 6.700474 57.32607 4.719644 -7.409714 
8.195815 
1 1 1 -9  26  4  o 83.50718 3.400068  1505.689       114.2044 1497.183       
190.4529 1510.464       142.7081 82.99799 5.465642 84.01637 4.045813 -1.018387 
6.800136 
1 1 1 -9  26  5  o 52.34524 4.317922  580.4584       91.11140 668.8083       
156.0084 534.7264       112.2418 55.03321 6.752182 49.65726 5.383850 5.375957 
8.635844 
1 1 1 -9  26  6  o 24.32913 5.819473  124.2233       77.83233 15.54828       
125.8232 191.5822       99.05887 19.91665 8.502800 28.74161 7.947796 -8.824961 
11.63895 
1 1 1 -9  26  7  o 66.49475 3.909332  940.2565       105.2438 1029.368       
176.7565 891.3130       130.9953 68.64207 6.133467 64.34743 4.848926 4.294647 
7.818663 
1 1 1 -9  26  8  o 45.29230 5.262810  457.2450       89.71227 474.9566       
162.2555 449.4464       107.6664 45.07875 8.889857 45.50586 5.635521 
-0.4271088     10.52562 
1 1 1 -9  26  9  o 60.17430 3.480221  781.0754       87.65538 758.1937       
127.8575 801.3673       120.4047 59.27351 5.137913 61.07510 4.695701 -1.801594 
6.960443 
1 1 1 -9  26  10 o 56.20242 3.749041  681.1627       87.25188 693.7643       
135.4442 672.2237       114.0749 56.51544 5.708398 55.88940 4.861627 0.6260376 
7.498081 
1 1 1 -9  26  11 f 29.89685 5.849043  209.5283       76.52779 177.2056       
112.7561 237.1331       104.2026 27.82544 8.701867 31.96826 7.818103 -4.142822 
11.69809 
1 1 1 -9  26  12 o 70.48622 3.148799  1073.934       91.96830 878.2491       
129.9495 1270.303       130.1765 63.86334 4.846675 77.10911 4.021128 -13.24577 
6.297597 
1 1 1 -9  26  13 o 55.02291 3.584066  650.6187       82.12679 679.9612       
125.3847 628.5711       108.6865 56.02137 5.331040 54.02444 4.791883 1.996929 
7.168133 
1 1 1 -9  26  14 o 61.29070 3.315696  791.0588       84.20890 923.1838       
132.8280 702.2696       108.8873 65.42648 4.835676 57.15491 4.537796 8.271564 
6.631391 
1 1 1 -9  26  15 o 67.05042 3.239430  974.0049       90.52369 897.0177       
132.6686 1041.074       123.8278 64.43333 4.904318 69.66751 4.233593 -5.234177 
6.478861 
1 1 1 -9  26  16 o 83.96389 3.351553  1526.580       110.7110 1509.450       
192.8476 1535.001       135.2121 83.19348 5.521359 84.73430 3.800820 -1.540817 
6.703107 
1 1 1 -9  26  17 o 24.52160 8.789830  126.9152       115.2298 0.000000       
0.000000 126.9152       115.2298 ?        ?        24.52160 8.789830 ? ? 
1 1 1 -9  26  18 o 46.28337 4.569432  475.1396       88.64676 502.9242       
129.9392 450.9495       121.2430 47.52489 6.512386 45.04186 6.411526 2.483025 
9.138865 
1 1 1 -9  26  19 o 18.29293 5.660572  -8.863267      83.15575 27.97685       
121.7911 -41.03534      113.8137 19.84019 8.414118 16.74568 7.574360 3.094511 
11.32114 
1 1 1 -9  26  20 o 53.28011 3.773074  615.3045       81.74094 657.3915       
135.0631 590.9796       102.6807 54.42980 5.910457 52.13042 4.691574 2.299381 
7.546149 
1 1 1 -9  26  21 o 51.53454 3.915607  582.7512       81.74047 605.6700       
135.3685 569.5992       102.5463 51.99157 6.201630 51.07751 4.782019 0.9140549 
7.831214 
1 1 1 -9  26  22 o 35.10339 5.444740  290.9890       78.24895 377.5249       
117.9737 223.0149       104.5583 39.98089 7.299278 30.22589 8.080923 9.755007 
10.88948 
1 1 1 -9  26  23 o 65.46333 3.282308  938.8807       90.19398 914.4524       
126.6851 963.9905       128.4402 64.58186 4.672356 66.34480 4.611211 -1.762939 
6.564615 
1 1 1 -9  26  24 o 26.26604 5.634093  168.4176       69.07934 209.9381       
97.55648 126.6639       97.82996 29.18451 7.807090 23.34757 8.125353 5.836941 
11.26819 
1 1 1 -9  26  25 o 42.57476 4.920427  437.1613       83.19764 328.7437       
119.6545 538.6371       115.7606 36.31976 8.059580 48.82977 5.646731 -12.51001 
9.840854 
1 1 1 -9  26  26 o 23.84910 6.073898  134.9519       77.58949 156.1384       
115.6305 117.5993       104.6462 25.06082 8.822835 22.63738 8.350241 2.423443 
12.14780 
1 1 1 -9  26  27 o 41.93423 4.557506  408.9869       79.35622 442.7820       
123.2111 385.0301       103.7378 43.14417 6.802188 40.72430 6.067428 2.419872 
9.115012 
1 1 1 -9  26  28 o 44.38692 4.314262  459.5962       79.03088 490.5891       
124.9525 438.9307       102.0319 45.22549 6.580861 43.54836 5.580653 1.677124 
8.628524 
1 1 1 -9  26  29 o 68.08672 3.104712  1026.722       87.35835 1158.165       
138.9623 940.8330       112.3305 71.34460 4.639348 64.82884 4.127154 6.515755 
6.209424 
1 1 1 -9  26  30 o 40.53888 5.320313  431.6065       88.31644 422.4411       
129.0821 439.6729       121.0966 39.37785 8.085667 41.69991 6.917001 -2.322056 
10.64063 
1 1 1 -9  27  1  o 19.63692 5.799045  31.34076       83.39011 -56.79006      
136.2660 84.10698       105.4391 17.84189 8.138425 21.43194 8.263276 -3.590050 
11.59809 
1 1 1 -9  27  2  o 17.10301 5.349698  -13.82302      74.85949 -17.19708      
116.3754 -11.44143      97.77262 17.71272 7.851604 16.49329 7.268382 1.219435 
10.69940 
1 1 1 -9  27  3  o 79.61498 3.542580  1379.296       114.7400 1392.434       
186.9137 1371.352       145.3491 79.55213 5.596421 79.67783 4.345062 
-0.1257019     7.085160 
1 1 1 -9  27  4  o 96.60771 3.865281  2045.966       141.7809 2042.568       
262.9566 2047.359       168.3478 95.66521 6.547132 97.55022 4.110553 -1.885017 
7.730562 
1 1 1 -9  27  5  o 36.21848 5.853582  284.8803       85.72385 446.6368       
145.2900 198.4975       106.1741 43.52288 8.250566 28.91408 8.305774 14.60880 
11.70716 
1 1 1 -9  27  6  o 20.37413 6.045973  36.83433       82.45694 43.77111       
146.1989 33.59836       99.85447 22.01712 9.272022 18.73113 7.761749 3.285990 
12.09195 
1 1 1 -9  27  7  o 20.85830 5.969432  58.16759       80.01990 58.40811       
125.8803 58.00450       103.6593 21.51202 8.787217 20.20457 8.082159 1.307449 
11.93886 
1 1 1 -9  27  8  o 56.45264 4.551629  737.4440       96.94708 624.4025       
172.7484 789.4147       117.1315 52.43230 7.847588 60.47298 4.613530 -8.040680 
9.103257 
1 1 1 -9  27  9  o 16.89187 5.408628  -47.48390      80.12171 -28.54495      
131.0578 -58.78650      101.2452 18.56373 8.271725 15.22000 6.970767 3.343731 
10.81726 
1 1 1 -9  27  10 o 105.2218 2.945153  2382.266       129.5153 2319.336       
190.9409 2435.894       176.2630 103.8067 4.381218 106.6369 3.937083 -2.830261 
5.890305 
1 1 1 -9  27  11 o 42.74793 4.609921  404.2154       79.08872 529.5537       
118.9020 304.7572       105.9174 49.15260 5.761875 36.34327 7.197658 12.80932 
9.219841 
1 1 1 -9  27  12 o 130.5354 3.212297  3685.845       175.5452 3497.256       
253.3774 3859.927       243.4377 127.1541 4.746336 133.9167 4.329862 -6.762619 
6.424594 
1 1 1 -9  27  13 o 45.85821 4.069827  455.8168       77.72439 544.6911       
116.8476 385.2866       104.0925 49.87754 5.580022 41.83887 5.925987 8.038677 
8.139654 
1 1 1 -9  27  14 o 27.46682 5.964311  177.0028       74.95782 179.2461       
112.9526 175.2374       100.2019 27.61995 8.722886 27.31369 8.136540 0.3062592 
11.92862 
1 1 1 -9  27  15 o 47.67726 4.299004  515.5012       82.76799 446.8041       
130.6438 561.5617       106.9754 44.56453 6.982654 50.79000 5.016801 -6.225475 
8.598008 
1 1 1 -9  27  16 o 84.76794 3.472450  1516.732       119.7926 1757.468       
200.5206 1383.133       149.3790 89.56812 5.332448 79.96777 4.449341 9.600349 
6.944901 
1 1 1 -9  27  17 o 48.49317 4.507174  520.2369       91.25127 582.8395       
138.1409 471.7734       121.5440 51.01870 6.449319 45.96764 6.297996 5.051060 
9.014348 
1 1 1 -9  27  18 o 36.12769 5.836963  315.7129       86.57422 308.6490       
126.7662 321.8875       118.5184 35.56995 8.576138 36.68544 7.920254 -1.115494 
11.67393 
1 1 1 -9  27  19 o 59.21643 8.521079  831.2961       211.8438 0.000000       
0.000000 831.2961       211.8438 ?        ?        59.21643 8.521079 ? ? 
1 1 1 -9  27  20 o 45.76777 5.021572  490.1427       91.91531 376.8926       
128.9188 607.2286       131.0840 39.49321 8.054250 52.04233 5.999485 -12.54912 
10.04314 
1 1 1 -9  27  21 o 86.76836 3.065419  1640.233       111.2341 1640.000       
164.5778 1640.428       150.9250 86.62069 4.525543 86.91602 4.136017 
-0.2953339     6.130838 
1 1 1 -9  27  22 o 24.18497 5.938259  135.0034       76.15642 84.30064       
110.7512 180.4819       104.8905 21.35249 8.414285 27.01745 8.381617 -5.664955 
11.87652 
1 1 1 -9  27  23 o 41.40761 5.003189  422.9576       80.97384 271.7353       
117.4088 560.1354       111.8239 32.76593 8.473851 50.04929 5.321789 -17.28336 
10.00638 
1 1 1 -9  27  24 o 31.42063 5.825044  254.3622       79.27994 197.2245       
116.2353 304.0662       108.4107 27.70802 8.858748 35.13325 7.566183 -7.425228 
11.65009 
1 1 1 -9  27  25 o 50.93891 4.035015  594.0456       85.89658 563.1912       
125.1115 621.5573       118.1403 49.44787 6.026576 52.42995 5.367099 -2.982079 
8.070029 
1 1 1 -9  27  26 o 23.30954 5.784223  130.1565       73.34475 185.6326       
102.6919 72.39021       104.7902 26.68690 8.296176 19.93217 8.062407 6.754725 
11.56845 
1 1 1 -9  27  27 f 26.07483 4.510628  137.3817       76.51814 -152.7787      
116.6899 356.2691       101.3502 13.41404 6.522563 38.73561 6.232112 -25.32157 
9.021255 
1 1 1 -9  27  28 o 19.97493 5.724154  69.07100       76.43672 149.1117       
117.7254 10.73727       100.5020 23.46554 8.816349 16.48431 7.303133 6.981232 
11.44831 
1 1 1 -9  27  29 o 25.27812 6.205087  182.4685       80.47985 220.2021       
121.0572 152.5827       107.7354 27.15528 9.053410 23.40097 8.488121 3.754311 
12.41017 
1 1 1 -9  28  1  o 33.82925 6.172433  286.1707       86.63171 290.0219       
140.7760 283.8233       109.9073 33.52676 9.542483 34.13173 7.831777 
-0.6049767     12.34487 
1 1 1 -9  28  2  o 15.51557 5.062983  -86.73822      76.39316 5.323605       
120.4687 -148.6581      98.79824 18.60233 8.134488 12.42881 6.030362 6.173521 
10.12597 
1 1 1 -9  28  3  o 47.56297 4.609836  499.4335       89.25498 567.5986       
148.6402 460.9953       111.6187 49.69516 7.124315 45.43076 5.852048 4.264400 
9.219671 
1 1 1 -9  28  4  f 42.21735 5.440039  395.9631       92.24213 546.7196       
152.1014 308.2625       116.0103 48.66256 7.444907 35.77215 7.934070 12.89041 
10.88008 
1 1 1 -9  28  5  o 57.47626 4.325449  756.8577       98.37586 674.5225       
163.5251 803.5577       123.1544 54.30516 7.172399 60.64736 4.836809 -6.342201 
8.650897 
1 1 1 -9  28  6  o 27.14061 6.278438  178.1757       89.07628 67.65179       
146.3976 243.1469       112.2449 22.64761 9.392230 31.63362 8.334334 -8.986010 
12.55688 
1 1 1 -9  28  7  o 39.99288 5.610445  376.5641       89.66119 403.2664       
140.3205 358.1393       116.5600 40.90025 8.458705 39.08552 7.372836 1.814724 
11.22089 
1 1 1 -9  28  8  o 56.91788 4.163929  693.6169       94.78813 802.5212       
165.2130 640.1786       115.7304 59.74840 6.586261 54.08737 5.096509 5.661026 
8.327859 
1 1 1 -9  28  9  o 22.05438 6.045019  88.18130       80.21625 46.43977       
132.5781 112.2869       100.7504 21.15695 8.865835 22.95182 8.219851 -1.794868 
12.09004 
1 1 1 -9  28  10 f 70.06063 3.173074  1065.795       92.89610 1041.890       
137.2019 1086.031       126.2324 69.21580 4.721457 70.90546 4.240452 -1.689667 
6.346148 
1 1 1 -9  28  11 o 21.06853 5.954626  69.20457       78.65437 66.43528       
124.1203 71.06286       101.6754 21.54505 8.750653 20.59201 8.078141 0.9530449 
11.90925 
1 1 1 -9  28  12 o 26.96484 5.603693  150.7589       73.98447 285.5811       
114.6034 54.42034       96.87616 34.49984 8.051414 19.42983 7.796167 15.07000 
11.20739 
1 1 1 -9  28  13 o 35.82568 5.213357  292.1542       77.17986 405.1045       
117.1173 205.4483       102.6128 42.43088 6.574459 29.22048 8.092767 13.21040 
10.42671 
1 1 1 -9  28  14 o 62.66349 3.560155  859.8380       92.98844 860.0214       
139.9668 859.6932       124.4139 62.51122 5.333203 62.81576 4.717602 
-0.3045425     7.120311 
1 1 1 -9  28  15 o 53.94256 4.118766  651.1619       92.52982 575.0594       
132.9601 722.6327       128.8505 50.63492 6.254495 57.25020 5.360806 -6.615280 
8.237533 
1 1 1 -9  28  16 o 47.44865 4.499063  501.4137       89.01160 558.7883       
135.9508 458.3643       117.7621 49.71942 6.512937 45.17789 6.208699 4.541527 
8.998127 
1 1 1 -9  28  17 o 41.93515 5.264718  420.3000       88.14687 368.1232       
135.5185 458.5626       116.0505 38.69700 8.568891 45.17330 6.119080 -6.476299 
10.52944 
1 1 1 -9  28  18 f 75.71994 3.455787  1260.660       108.8596 1255.937       
165.0262 1264.299       144.8424 75.35775 5.216104 76.08212 4.534548 
-0.7243729     6.911575 
1 1 1 -9  28  19 o 86.65487 3.468427  1664.620       124.8276 1570.737       
187.2564 1739.704       167.4630 84.09549 5.303773 89.21425 4.471012 -5.118759 
6.936855 
1 1 1 -9  28  20 o 26.56444 6.363454  172.5790       85.91512 131.7907       
122.9900 211.4517       120.0674 24.23722 9.030045 28.89166 8.968415 -4.654448 
12.72691 
1 1 1 -9  28  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  28  22 o 56.26226 4.302227  718.6690       100.9083 612.3684       
136.7873 845.5881       149.4657 51.54948 6.320371 60.97504 5.838623 -9.425564 
8.604453 
1 1 1 -9  28  23 o 35.99879 5.463951  320.7468       80.33881 393.4781       
117.7962 257.4950       109.8518 40.22791 7.238369 31.76968 8.186882 8.458223 
10.92790 
1 1 1 -9  28  24 o 38.85853 4.726195  359.8759       74.96305 364.4739       
112.1134 356.1581       100.8124 38.55238 7.194231 39.16468 6.131128 
-0.6123009     9.452391 
1 1 1 -9  28  25 o 16.39894 5.251277  -21.14230      78.32520 -39.94364      
115.0079 -4.878426      106.9659 16.09995 7.397043 16.69793 7.455696 
-0.5979767     10.50255 
1 1 1 -9  28  26 o 45.71220 4.359591  495.8312       82.84566 516.5284       
127.0203 480.5085       109.2912 46.18550 6.550714 45.23890 5.754325 0.9465942 
8.719181 
1 1 1 -9  28  27 o 23.36584 5.877592  148.8069       77.24051 78.28530       
119.9515 198.7624       100.9569 20.01910 8.413058 26.71257 8.210043 -6.693466 
11.75518 
1 1 1 -9  28  28 o 16.11008 5.170895  -7.614026      76.24040 -39.37781      
117.8803 15.22728       99.96216 15.75618 7.335267 16.46399 7.290163 
-0.7078180     10.34179 
1 1 1 -9  29  1  o 34.01294 6.130273  265.2298       89.12811 463.6869       
150.4220 157.8599       110.6418 42.74656 8.683820 25.27932 8.655189 17.46724 
12.26055 
1 1 1 -9  29  2  o 23.47057 5.768063  116.9155       84.24165 -65.14938      
141.3715 217.1581       104.8999 17.55178 8.117810 29.38935 8.196545 -11.83757 
11.53613 
1 1 1 -9  29  3  o 31.88536 6.308904  239.1368       84.91135 350.0032       
146.7012 183.2831       104.1262 36.63872 9.470580 27.13201 8.337698 9.506710 
12.61781 
1 1 1 -9  29  4  o 67.70128 3.880999  1036.523       108.3320 944.5959       
164.4435 1107.009       143.9942 64.55823 6.067168 70.84434 4.841288 -6.286110 
7.761997 
1 1 1 -9  29  5  o 25.13809 6.254539  147.4709       89.05016 36.72277       
146.2167 212.7694       112.2743 21.09661 9.090569 29.17957 8.592937 -8.082954 
12.50908 
1 1 1 -9  29  6  o 64.11933 4.206163  952.1738       108.9768 781.5338       
167.6193 1077.110       143.4262 58.28955 6.849431 69.94912 4.883907 -11.65957 
8.412327 
1 1 1 -9  29  7  o 19.52590 5.995085  19.03081       87.71870 21.99206       
148.3334 17.43833       108.7773 20.78977 9.059218 18.26202 7.854600 2.527748 
11.99017 
1 1 1 -9  29  8  f 14.90413 5.022102  -108.8582      81.97433 -199.8605      
151.7301 -71.34695      97.41506 15.55845 7.529994 14.24981 6.647196 1.308640 
10.04420 
1 1 1 -9  29  9  o 18.59430 5.565148  14.55261       80.39556 -97.04572      
131.7248 80.80092       101.4907 16.29548 7.637541 20.89312 8.096385 -4.597635 
11.13030 
1 1 1 -9  29  10 o 21.71651 6.036275  85.13800       78.11965 84.24705       
132.6046 85.61157       96.67706 22.46970 9.077463 20.96331 7.959028 1.506386 
12.07255 
1 1 1 -9  29  11 o 86.34607 2.927669  1623.419       105.0251 1568.567       
158.7428 1666.120       140.0612 84.82261 4.457625 87.86952 3.796651 -3.046913 
5.855338 
1 1 1 -9  29  12 o 24.83696 6.025545  142.7478       77.83289 97.94581       
112.7880 183.4804       107.5438 22.28950 8.557407 27.38442 8.485253 -5.094923 
12.05109 
1 1 1 -9  29  13 o 26.29417 5.831941  140.2793       77.90825 281.5696       
122.6485 44.70443       100.8737 33.60139 8.645710 18.98694 7.829294 14.61445 
11.66388 
1 1 1 -9  29  14 o 47.29781 4.959113  525.0965       93.64931 402.3918       
131.5943 651.0074       133.3025 40.76175 7.974018 53.83388 5.897985 -13.07213 
9.918225 
1 1 1 -9  29  15 o 56.82146 4.421731  728.1446       104.6568 614.0604       
142.9220 860.0442       153.6767 51.82994 6.568094 61.81299 5.921739 -9.983055 
8.843463 
1 1 1 -9  29  16 o 24.11314 6.572587  118.7280       93.80676 158.6003       
141.8526 87.73966       125.0550 26.07544 9.701209 22.15084 8.870297 3.924606 
13.14517 
1 1 1 -9  29  17 o 48.12833 5.018753  559.3480       94.89279 449.7263       
143.7896 643.9269       126.3020 42.69233 8.319132 53.56434 5.616367 -10.87201 
10.03751 
1 1 1 -9  29  18 o 27.87527 6.345678  184.5950       86.48855 278.0852       
133.1194 116.3043       113.7730 32.68882 9.271490 23.06172 8.666603 9.627094 
12.69136 
1 1 1 -9  29  19 o 51.22041 4.425431  607.8314       93.71988 554.4791       
140.6615 650.4243       125.6801 48.72661 6.875907 53.71420 5.573120 -4.987595 
8.850863 
1 1 1 -9  29  20 f 16.51123 5.342971  -52.25408      84.97325 -106.4830      
121.7099 -0.6848424     118.6877 15.08582 7.148535 17.93665 7.942783 -2.850825 
10.68594 
1 1 1 -9  29  21 o 27.26740 6.175040  179.8153       90.93342 48.85099       
129.5950 306.8306       127.6262 20.27806 8.642323 34.25674 8.822400 -13.97868 
12.35008 
1 1 1 -9  29  22 o 47.69260 5.477367  558.4976       101.3270 1049.964       
156.2253 201.6192       133.1265 67.91750 5.478868 27.46770 9.486212 40.44980 
10.95473 
1 1 1 -9  29  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  29  24 o 26.44899 6.617849  194.6499       91.98748 199.1587       
134.1252 190.6456       126.3982 26.65103 9.490135 26.24694 9.226107 0.4040947 
13.23570 
1 1 1 -9  29  25 o 21.01091 5.444843  91.74676       66.44553 181.4679       
102.0151 25.63936       87.56728 25.67356 8.308355 16.34827 7.039637 9.325285 
10.88969 
1 1 1 -9  29  26 o 26.55911 3.976664  83.23665       67.99873 431.8914       
105.1124 -167.6846      89.17130 42.36119 5.910266 10.75704 5.322045 31.60415 
7.953327 
1 1 1 -9  30  1  o 74.70763 4.009358  1256.084       119.3028 1376.367       
206.8442 1196.122       146.0429 76.36387 6.451735 73.05138 4.761821 3.312492 
8.018717 
1 1 1 -9  30  2  o 39.22874 6.159868  424.3747       99.81031 295.8445       
160.9553 504.6802       127.2258 32.13572 10.43925 46.32177 6.542008 -14.18605 
12.31974 
1 1 1 -9  30  3  o 36.91953 5.791505  356.5470       88.62429 272.0755       
137.7411 416.2197       115.7700 31.65858 9.561820 42.18048 6.537410 -10.52190 
11.58301 
1 1 1 -9  30  4  o 35.27913 5.877983  345.9247       89.21458 198.0527       
150.4927 426.0503       110.7791 27.54885 10.02818 43.00942 6.135013 -15.46057 
11.75597 
1 1 1 -9  30  5  o 27.96413 5.782038  189.8273       94.45617 -53.23313      
148.4053 355.3401       122.4639 18.18316 8.374461 37.74510 7.974725 -19.56194 
11.56408 
1 1 1 -9  30  6  o 32.29443 6.534935  284.0427       95.90125 207.3842       
154.5049 332.0866       122.3156 28.22711 10.17217 36.36174 8.206609 -8.134630 
13.06987 
1 1 1 -9  30  7  o 37.84347 6.503580  379.8878       100.3977 338.9910       
167.3533 402.8822       125.4871 35.03921 10.53097 40.64773 7.634454 -5.608524 
13.00716 
1 1 1 -9  30  8  o 30.07170 6.251918  217.2935       85.07270 324.3542       
135.7380 148.0339       109.1758 35.38878 9.089338 24.75461 8.586610 10.63417 
12.50384 
1 1 1 -9  30  9  f 74.34027 4.005276  1259.056       112.9249 1210.234       
206.6748 1279.835       134.8306 72.14194 6.823713 76.53861 4.195936 -4.396675 
8.010552 
1 1 1 -9  30  10 o 98.81871 3.795375  2248.319       151.3442 1875.118       
235.3554 2511.445       197.6217 90.61085 6.186784 107.0266 4.398088 -16.41573 
7.590750 
1 1 1 -9  30  11 o 16.01628 5.175973  -44.23450      77.66711 -29.15473      
113.4793 -57.52288      106.5259 16.72280 7.563660 15.30977 7.067804 1.413035 
10.35195 
1 1 1 -9  30  12 o 30.11396 6.086295  238.2508       81.90599 182.3904       
136.2498 269.8604       102.4928 27.00649 9.570188 33.22142 7.522196 -6.214930 
12.17259 
1 1 1 -9  30  13 o 32.30206 6.590931  273.1607       94.10942 268.8380       
140.9438 276.6385       126.4193 31.85704 9.682495 32.74708 8.944876 
-0.8900394     13.18186 
1 1 1 -9  30  14 o 40.32021 5.626472  399.3351       93.09893 316.5297       
130.4407 485.3153       132.9178 35.08827 8.850080 45.55215 6.950170 -10.46387 
11.25294 
1 1 1 -9  30  15 o 54.74460 4.475518  687.7511       102.6772 727.0582       
150.8757 653.8422       140.1335 56.14195 6.401075 53.34725 6.256780 2.794701 
8.951036 
1 1 1 -9  30  16 o 43.13657 5.461859  447.9744       96.22751 534.2274       
143.5171 377.5282       129.7017 47.49411 7.197556 38.77904 8.217225 8.715065 
10.92372 
1 1 1 -9  30  17 o 58.55112 4.006487  779.4742       97.27795 771.4965       
148.7777 785.4316       128.5680 57.92130 6.118156 59.18094 5.174546 -1.259636 
8.012975 
1 1 1 -9  30  18 o 28.01666 6.371234  207.2082       85.46478 182.5128       
134.6449 223.8715       110.6019 26.61871 9.505507 29.41461 8.486216 -2.795893 
12.74247 
1 1 1 -9  30  19 o 27.18222 6.469585  185.6001       84.79573 238.1802       
141.2457 155.9711       106.0287 29.49004 9.779225 24.87440 8.472832 4.615643 
12.93917 
1 1 1 -9  30  20 o 36.03105 5.914895  315.5356       88.57632 495.4575       
143.5409 204.8913       112.5637 44.24292 8.023073 27.81919 8.693344 16.42373 
11.82979 
1 1 1 -9  30  21 o 16.09657 5.272981  -62.05820      85.48056 -1.454771      
124.2402 -116.5349      117.7928 17.86423 8.004242 14.32891 6.866543 3.535321 
10.54596 
1 1 1 -9  30  22 o 20.60171 6.029274  59.14084       89.31131 154.5387       
131.9796 -21.44935      121.3050 24.29594 9.277376 16.90748 7.703175 7.388454 
12.05855 
1 1 1 -9  30  23 o 19.89662 5.926257  60.09099       88.52695 -15.52871      
128.9093 127.5846       121.7862 17.30158 7.899705 22.49166 8.836105 -5.190088 
11.85251 
1 1 1 -9  30  24 o 31.09733 6.036146  259.6198       95.10844 479.9129       
142.8178 84.07296       127.4907 41.77087 8.439209 20.42379 8.632495 21.34707 
12.07229 
1 1 1 -9  30  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -9  31  1  o 27.96364 6.788405  239.5750       99.06114 185.0668       
148.2201 283.5772       133.1722 25.13264 9.775036 30.79464 9.422232 -5.661995 
13.57681 
1 1 1 -9  31  2  o 25.25952 6.463494  175.4462       96.21703 69.02620       
146.1957 256.7644       127.7958 20.77873 9.023313 29.74031 9.256721 -8.961584 
12.92699 
1 1 1 -9  31  3  o 29.26014 6.596644  250.4810       96.51538 165.9943       
149.7207 310.5534       126.2482 24.94286 9.797812 33.57742 8.835483 -8.634560 
13.19329 
1 1 1 -9  31  4  o 28.27262 6.455815  203.9826       93.82394 341.3439       
142.0690 97.73380       124.9479 34.88767 9.461431 21.65757 8.785870 13.23010 
12.91163 
1 1 1 -9  31  5  o 40.39781 6.103269  411.5177       98.45691 527.7205       
160.6920 341.6744       124.5799 44.66512 8.884728 36.13050 8.370255 8.534622 
12.20654 
1 1 1 -9  31  6  o 17.43227 5.525610  -19.94369      87.06977 -103.1106      
132.4494 43.34877       115.5449 15.72042 7.453030 19.14412 8.159768 -3.423698 
11.05122 
1 1 1 -9  31  7  f 16.62991 5.370028  -32.17782      83.01900 -55.80684      
129.4794 -15.68245      108.1830 16.73683 7.751588 16.52299 7.433820 0.2138348 
10.74006 
1 1 1 -9  31  8  o 60.70982 4.214368  833.6848       103.4872 915.5156       
173.6913 788.6479       128.8557 62.31273 6.639301 59.10692 5.192617 3.205814 
8.428737 
1 1 1 -9  31  9  o 19.27032 5.782066  1.151026       84.12090 134.3435       
135.4095 -82.55801      107.3483 24.05601 9.345786 14.48463 6.810684 9.571382 
11.56413 
1 1 1 -9  31  10 o 21.38263 6.231258  72.87499       87.88924 119.8078       
144.2175 45.14602       110.8528 23.64545 9.502022 19.11981 8.063865 4.525648 
12.46252 
1 1 1 -9  31  11 o 22.76252 5.920805  106.2895       86.21691 -39.94299      
137.8929 200.1493       110.4739 17.77901 8.139591 27.74602 8.600627 -9.967009 
11.84161 
1 1 1 -9  31  12 o 53.55717 4.319350  663.3484       96.99844 660.8856       
140.4210 665.5961       134.1470 53.32829 6.271848 53.78605 5.940628 
-0.4577637     8.638700 
1 1 1 -9  31  13 o 17.58504 5.542949  -16.37950      85.51478 -80.75671      
122.9406 43.96403       119.0267 15.69057 7.358411 19.47952 8.291618 -3.788953 
11.08590 
1 1 1 -9  31  14 f 32.00656 6.231465  272.3374       91.42702 170.5028       
129.2042 374.4661       129.3907 25.78733 9.301189 38.22579 8.295330 -12.43846 
12.46293 
1 1 1 -9  31  15 o 47.70330 5.218350  556.5849       100.8191 467.0842       
141.5009 648.8679       143.6835 42.89656 8.151442 52.51004 6.517570 -9.613472 
10.43670 
1 1 1 -9  31  16 o 48.14709 5.356993  560.5416       101.7265 794.3347       
154.2570 380.6227       135.3217 58.21050 6.311965 38.08369 8.657287 20.12681 
10.71399 
1 1 1 -9  31  17 o 20.08490 5.937440  42.26092       86.74355 134.3536       
130.9134 -29.81675      115.8169 23.67153 9.190781 16.49827 7.519463 7.173262 
11.87488 
1 1 1 -9  31  18 o 14.75875 4.957353  -92.77209      81.99483 -116.4716      
131.2773 -77.61254      104.9936 15.24108 7.290463 14.27641 6.719415 0.9646664 
9.914705 
1 1 1 -9  31  19 o 29.00572 6.171299  192.6632       88.00488 404.0373       
146.4163 73.10737       110.1156 38.10926 9.234817 19.90218 8.188888 18.20708 
12.34260 
1 1 1 -9  31  20 o 30.26906 6.121973  216.7007       90.21416 454.7299       
148.9719 78.85968       113.3649 40.44869 9.006822 20.08942 8.294056 20.35926 
12.24395 
1 1 1 -9  31  21 o 29.60669 6.581516  254.5991       89.85192 296.0328       
141.2370 226.4287       116.4576 31.17078 9.737252 28.04259 8.857275 3.128199 
13.16303 
1 1 1 -9  31  22 o 23.37144 6.379953  145.8943       89.89445 200.7074       
132.4327 99.05849       122.4171 25.85917 9.407810 20.88372 8.620226 4.975454 
12.75991 
1 1 1 -9  31  23 o 17.64132 5.605545  6.689871       89.06793 -54.22079      
129.9569 60.64550       122.3125 16.05845 7.537151 19.22418 8.299391 -3.165726 
11.21109 
1 1 1 -9  32  3  o 26.64710 6.472516  182.2848       98.52293 369.9925       
150.7048 42.18407       130.1986 34.42163 9.897892 18.87256 8.342995 15.54908 
12.94503 
1 1 1 -9  32  4  f 22.65508 6.558556  133.3490       98.75001 134.8261       
150.8874 132.2422       130.6052 22.83039 9.505731 22.47978 9.038790 0.3506050 
13.11711 
1 1 1 -9  32  5  o 22.73398 6.620770  128.5430       101.6576 162.0471       
152.5637 101.7886       136.3327 24.05996 9.729759 21.40800 8.981655 2.651953 
13.24154 
1 1 1 -9  32  6  o 18.35751 5.931816  -4.085100      101.8125 11.47822       
152.6967 -16.54222      136.6115 19.10662 8.688344 17.60841 8.078268 1.498213 
11.86363 
1 1 1 -9  32  7  o 34.40001 6.878609  341.4503       100.7123 396.6916       
168.1904 310.5708       125.7491 35.60117 10.52783 33.19886 8.855835 2.402313 
13.75722 
1 1 1 -9  32  8  o 38.78693 6.385031  422.8116       99.11856 408.6881       
167.0427 430.4868       123.1397 36.54477 10.39250 41.02909 7.420939 -4.484325 
12.77006 
1 1 1 -9  32  9  o 30.34909 6.663022  270.0134       91.97830 246.2881       
170.6614 279.7261       109.1942 28.29618 10.61824 32.40200 8.052109 -4.105827 
13.32604 
1 1 1 -9  32  10 o 27.26094 5.749388  126.6293       93.44849 424.6645       
144.9435 -85.38030      122.2483 39.31136 8.975878 15.21053 7.187174 24.10082 
11.49878 
1 1 1 -9  32  11 o 28.80404 6.473728  239.0313       92.86498 159.5661       
140.9948 299.9164       123.4156 24.57019 9.538430 33.03789 8.755283 -8.467703 
12.94746 
1 1 1 -9  32  12 o 45.76645 5.207006  522.0095       100.0471 525.4640       
141.4941 518.5555       141.4818 45.94585 7.335219 45.58705 7.392308 0.3587952 
10.41401 
1 1 1 -9  32  13 o 23.96015 6.384885  145.3404       91.10941 80.50278       
131.0751 205.9515       126.7310 20.90448 8.790257 27.01582 9.262743 -6.111343 
12.76977 
1 1 1 -9  32  14 o 47.68478 5.297475  568.9776       100.7471 750.4010       
149.8095 419.1803       136.1272 55.86312 6.387565 39.50643 8.452928 16.35670 
10.59495 
1 1 1 -9  32  15 o 26.33543 6.335504  192.2304       90.31125 99.83283       
131.6913 274.2648       124.0865 21.57422 8.925137 31.09663 8.994241 -9.522408 
12.67101 
1 1 1 -9  32  16 o 35.73483 6.231033  358.2740       93.05453 332.9012       
135.4414 380.9588       128.0661 33.97399 9.249036 37.49566 8.352151 -3.521671 
12.46207 
1 1 1 -9  32  17 o 20.03505 5.925786  31.30084       90.86469 182.6517       
136.5498 -88.97609      121.7278 25.16515 9.486874 14.90496 7.103451 10.26019 
11.85157 
1 1 1 -9  32  18 o 16.28111 5.412503  -64.27408      89.97588 1.107340       
150.1799 -100.8831      112.3773 18.60627 8.508377 13.95595 6.692405 4.650323 
10.82501 
1 1 1 -9  32  19 o 16.93349 5.548934  -22.05329      88.90685 -24.51714      
156.0607 -20.86941      108.1780 18.11845 8.436941 15.74854 7.209764 2.369911 
11.09787 
1 1 1 -9  32  20 o 27.59620 6.256605  199.3584       87.34520 363.5300       
140.0890 94.94678       111.7196 34.83304 9.372318 20.35936 8.290962 14.47368 
12.51321 
1 1 1 -9  33  9  o 34.87094 7.019518  372.0122       106.1108 432.6397       
167.9876 331.7633       136.8736 36.62206 10.42421 33.11983 9.403745 3.502232 
14.03904 
1 1 1 -9  33  10 o 22.37787 6.631135  114.2678       100.9894 190.7390       
169.7143 72.34578       125.6580 24.96195 10.20087 19.79379 8.475261 5.168167 
13.26227 
1 1 1 -9  33  11 o 34.45139 6.610709  362.0303       99.69865 305.3860       
149.3730 407.5375       133.8854 30.84188 10.05664 38.06090 8.583117 -7.219013 
13.22142 
1 1 1 -9  33  12 o 25.81577 6.813757  198.0894       98.43640 253.8638       
153.2623 158.9261       128.4274 27.98232 10.12650 23.64923 9.119379 4.333094 
13.62751 
1 1 1 -9  33  13 f 26.88232 6.604525  205.2531       98.14507 96.84445       
132.6839 336.2322       145.8437 20.95365 8.829041 32.81099 9.824818 -11.85734 
13.20905 
1 1 1 -9  33  14 o 36.14784 6.119430  394.5038       101.6291 218.3718       
150.9445 540.5545       137.4516 26.29705 9.956466 45.99863 7.117477 -19.70157 
12.23886 
1 1 1 -9  33  15 o 17.02183 5.574957  -42.99536      93.85558 48.82538       
145.5806 -108.3040      122.7774 19.63185 8.733658 14.41181 6.931365 5.220041 
11.14991 
1 1 1 -8  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -19 21 o 17.84100 4.898376  33.27309       64.14764 -145.2548      
114.4665 115.0105       77.45257 13.65815 6.598144 22.02385 7.241604 -8.365696 
9.796751 
1 1 1 -8  -19 22 o 41.89672 4.281659  387.0942       67.04849 459.2943       
131.9206 361.9480       77.85380 43.52091 7.219975 40.27252 4.604601 3.248390 
8.563317 
1 1 1 -8  -19 23 o 40.16339 4.866639  347.7128       73.58494 558.7662       
146.0686 275.9348       85.18372 46.86982 7.423089 33.45697 6.295591 13.41285 
9.733278 
1 1 1 -8  -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -18 18 f 57.35019 3.151711  719.1147       72.30827 670.4120       
119.8479 746.9901       90.66994 55.56115 5.137838 59.13924 3.651814 -3.578091 
6.303422 
1 1 1 -8  -18 19 o 25.27762 4.759165  163.4944       55.19791 52.89434       
105.7022 204.9627       64.72384 19.91377 8.079924 30.64148 5.031247 -10.72771 
9.518331 
1 1 1 -8  -18 20 o 85.37538 3.225455  1565.378       106.2790 1651.634       
194.6189 1528.726       126.8657 86.41576 5.364299 84.33500 3.583088 2.080765 
6.450909 
1 1 1 -8  -18 21 o 35.06114 5.304973  341.2251       68.79805 196.0070       
136.5866 390.5934       79.63831 27.90644 9.611503 42.21584 4.493323 -14.30940 
10.60995 
1 1 1 -8  -18 22 o 22.63943 6.014353  105.4470       69.31310 144.1976       
140.7429 93.03928       79.64059 24.83901 9.553168 20.43986 7.309361 4.399151 
12.02871 
1 1 1 -8  -18 23 o 59.03254 4.132847  828.4777       91.92022 749.2689       
166.0568 863.4708       110.3725 55.59812 7.114060 62.46695 4.208543 -6.868828 
8.265694 
1 1 1 -8  -18 24 o 23.65223 6.169608  109.5562       69.90989 271.2963       
150.7392 65.23381       78.90949 29.38777 10.09956 17.91669 7.089088 11.47108 
12.33922 
1 1 1 -8  -17 1  o 209.6752 2.368432  9021.173       172.2512 8856.729       
193.9870 9634.093       374.5118 205.3432 2.250160 214.0072 4.168292 -8.664078 
4.736864 
1 1 1 -8  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -17 16 o 57.70602 2.551882  737.7215       57.58899 608.0321       
96.33875 809.8318       71.83688 53.46894 4.291612 61.94311 2.762330 -8.474163 
5.103763 
1 1 1 -8  -17 17 o 68.55573 2.907632  1029.679       73.64988 939.8471       
139.9040 1064.119       86.62475 66.17690 5.035525 70.93456 2.908742 -4.757668 
5.815264 
1 1 1 -8  -17 18 o 60.55626 3.229761  827.2997       71.60078 701.5979       
134.8014 876.7014       84.50735 56.83053 5.649807 64.28200 3.131311 -7.451469 
6.459523 
1 1 1 -8  -17 19 o 36.19591 4.745465  323.1956       61.22704 239.0158       
115.3923 356.1821       72.23381 31.68059 8.498071 40.71123 4.226174 -9.030645 
9.490930 
1 1 1 -8  -17 20 o 61.46190 3.460795  847.9389       79.13265 766.6877       
147.6252 880.6982       93.73750 58.77149 5.982944 64.15231 3.480344 -5.380825 
6.921590 
1 1 1 -8  -17 21 o 41.85119 4.781903  393.2202       67.86297 424.9382       
143.7697 384.1272       76.97837 41.67913 8.510542 42.02325 4.363150 
-0.3441162     9.563807 
1 1 1 -8  -17 22 o 30.24052 4.873087  287.7174       64.81676 9.059550       
142.5328 360.3668       72.77718 19.86433 8.762030 40.61672 4.267872 -20.75239 
9.746174 
1 1 1 -8  -17 23 o 16.70780 5.218701  11.55862       63.21526 -58.17392      
141.7907 28.85781       70.62249 17.59286 8.134144 15.82275 6.540264 1.770112 
10.43740 
1 1 1 -8  -17 24 o 48.22432 5.057044  553.1375       82.49689 599.4871       
173.0793 539.5118       93.84273 47.34207 9.031943 49.10657 4.551789 -1.764503 
10.11409 
1 1 1 -8  -17 25 o 19.79999 5.427340  88.33459       73.10537 -125.3257      
162.1827 142.8168       81.89742 16.39756 7.905921 23.20243 7.437774 -6.804869 
10.85468 
1 1 1 -8  -16 1  o 207.0993 1.806415  8992.450       119.4921 8983.422       
131.5681 9034.968       285.5206 206.8461 1.515041 207.3524 3.279815 
-0.5063019     3.612830 
1 1 1 -8  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -16 14 o 32.32735 3.773743  220.6523       51.21786 0.000000       
0.000000 220.6523       51.21786 ?        ?        32.32735 3.773743 ? ? 
1 1 1 -8  -16 15 o 37.58517 3.144307  275.3172       46.83204 376.1429       
85.21441 231.6859       56.05660 42.08407 4.822989 33.08628 4.035523 8.997791 
6.288615 
1 1 1 -8  -16 16 o 66.15489 2.416820  934.5058       61.88782 900.5373       
110.6366 949.9752       74.66152 65.17924 4.043064 67.13055 2.649096 -1.951317 
4.833640 
1 1 1 -8  -16 17 o 72.05183 2.366746  1125.484       69.48891 963.0547       
107.3233 1242.730       91.18218 67.38350 3.793687 76.72017 2.830880 -9.336670 
4.733492 
1 1 1 -8  -16 18 o 76.09777 3.043830  1236.509       90.26730 1233.818       
160.6572 1237.750       109.1199 75.80363 5.048137 76.39191 3.402339 
-0.5882721     6.087660 
1 1 1 -8  -16 19 o 48.03759 3.797209  458.2694       67.59462 592.7628       
138.3026 416.0602       77.47882 51.98508 6.336838 44.09009 4.185652 7.894997 
7.594419 
1 1 1 -8  -16 20 o 13.23820 4.491341  -94.32616      53.98557 -48.51904      
118.0698 -106.4341      60.70253 16.92304 7.680606 9.553349 4.657990 7.369694 
8.982682 
1 1 1 -8  -16 21 o 53.82735 3.792151  630.8704       72.95019 648.4132       
149.3259 625.3711       83.60601 53.67394 6.626631 53.98076 3.689093 
-0.3068199     7.584302 
1 1 1 -8  -16 22 o 22.31071 5.950790  71.45621       66.28879 185.3993       
140.8398 39.03161       75.13092 27.63670 9.736449 16.98472 6.844645 10.65198 
11.90158 
1 1 1 -8  -16 23 o 37.63432 5.536787  353.5504       74.52548 322.9296       
150.5500 363.4894       85.77181 34.82182 9.854491 40.44682 5.051045 -5.625008 
11.07357 
1 1 1 -8  -16 24 o 24.15887 6.332548  100.5403       72.54006 248.3801       
160.2923 62.46475       81.34668 29.87376 10.40030 18.44398 7.227609 11.42977 
12.66510 
1 1 1 -8  -16 25 o 69.80841 3.661453  1092.777       102.3447 1190.299       
175.3778 1042.415       126.0302 71.32046 5.857086 68.29637 4.395397 3.024086 
7.322907 
1 1 1 -8  -16 26 o 15.93916 6.842079  27.08304       82.25865 0.000000       
0.000000 27.08304       82.25865 ?        ?        15.93916 6.842079 ? ? 
1 1 1 -8  -15 1  o 107.7570 2.375584  2425.655       106.9091 2310.965       
142.7694 2572.061       161.3067 104.8775 3.242454 110.6365 3.472764 -5.758972 
4.751168 
1 1 1 -8  -15 2  o 255.6724 3.055570  13697.20       324.4315 14064.59       
499.7547 13429.58       426.5280 258.5962 4.603158 252.7486 4.019573 5.847595 
6.111140 
1 1 1 -8  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -15 11 o 40.07911 3.527797  338.3477       59.36091 338.3477       
59.36091 0.000000       0.000000 40.07911 3.527797 ?        ?        ? ? 
1 1 1 -8  -15 12 o 120.2649 2.036568  3080.567       100.3786 2855.787       
156.9974 3235.988       130.5477 116.4757 3.210539 124.0541 2.506565 -7.578400 
4.073135 
1 1 1 -8  -15 13 o 131.9095 2.706160  3703.489       142.5842 3549.272       
239.6001 3788.049       177.4191 129.6746 4.401019 134.1444 3.150277 -4.469818 
5.412320 
1 1 1 -8  -15 14 o 109.8089 1.880089  2536.031       86.64530 2631.891       
123.8030 2444.001       121.3051 111.8441 2.636571 107.7737 2.680940 4.070351 
3.760179 
1 1 1 -8  -15 15 o 99.63745 1.997117  2076.283       82.51551 2002.593       
107.6975 2181.032       128.4032 97.53331 2.630110 101.7416 3.006065 -4.208275 
3.994234 
1 1 1 -8  -15 16 o 82.01064 2.029634  1402.606       68.05100 1353.850       
86.19834 1483.267       110.8703 80.17420 2.560857 83.84707 3.149550 -3.672867 
4.059268 
1 1 1 -8  -15 17 o 54.19807 2.126555  616.9244       48.26704 571.1858       
65.61442 670.8629       71.25356 52.02010 3.004340 56.37604 3.010461 -4.355934 
4.253109 
1 1 1 -8  -15 18 o 90.59062 2.205241  1775.244       80.78335 1569.345       
128.7933 1908.787       103.7237 86.06071 3.564589 95.12052 2.597317 -9.059807 
4.410481 
1 1 1 -8  -15 19 o 92.06526 2.615369  1785.018       100.5806 1634.903       
134.2963 1976.788       151.7895 87.71394 3.646839 96.41658 3.749825 -8.702644 
5.230738 
1 1 1 -8  -15 20 o 72.19896 3.394139  1131.507       99.15401 1090.952       
161.7809 1155.907       125.4848 70.89091 5.435730 73.50702 4.066148 -2.616112 
6.788278 
1 1 1 -8  -15 21 o 24.77116 5.939612  137.8719       68.47581 102.8522       
142.1876 148.4465       78.13325 24.23707 9.539371 25.30525 7.079292 -1.068180 
11.87922 
1 1 1 -8  -15 22 o 86.94176 3.739573  1755.817       120.8703 1437.159       
218.4918 1896.343       145.0944 79.91171 6.512472 93.97182 3.677680 -14.06012 
7.479146 
1 1 1 -8  -15 23 f 68.36375 3.783014  1084.775       94.97984 929.1580       
177.0901 1147.616       112.5348 63.77538 6.613970 72.95212 3.674260 -9.176735 
7.566029 
1 1 1 -8  -15 24 o 22.23702 9.167668  82.55830       138.2822 82.55830       
138.2822 0.000000       0.000000 22.23702 9.167668 ?        ?        ? ? 
1 1 1 -8  -15 25 o 36.70617 5.660504  308.2528       87.23147 0.000000       
0.000000 308.2528       87.23147 ?        ?        36.70617 5.660504 ? ? 
1 1 1 -8  -15 26 o 30.89711 6.264929  276.7451       81.74421 235.7461       
169.8286 289.1081       93.25809 27.75699 10.54575 34.03722 6.766418 -6.280230 
12.52986 
1 1 1 -8  -15 27 o 18.02093 5.620713  36.83251       80.25567 -37.41754      
157.6385 62.81136       93.24463 17.82419 8.354220 18.21766 7.521747 
-0.3934727     11.24143 
1 1 1 -8  -14 1  o 285.3009 4.274982  17132.07       511.9856 17161.64       
718.5102 17101.57       729.7341 285.5575 5.993222 285.0443 6.097801 0.5131836 
8.549965 
1 1 1 -8  -14 2  o 306.6177 4.102233  19780.42       527.8530 19571.55       
734.3123 20003.76       759.3087 304.9525 5.735480 308.2830 5.866646 -3.330566 
8.204466 
1 1 1 -8  -14 3  o 178.3227 2.389357  6693.265       166.1083 6650.342       
295.7057 6713.054       200.7795 177.8719 3.959802 178.7735 2.675083 
-0.9016113     4.778713 
1 1 1 -8  -14 4  o 214.6449 3.148512  9508.655       223.0245 9984.538       
516.3580 9399.517       247.2795 217.7617 5.647945 211.5282 2.784460 6.233582 
6.297023 
1 1 1 -8  -14 5  o 85.54524 2.162802  1543.675       76.93339 1491.984       
116.0875 1584.157       102.7329 84.25680 3.281719 86.83369 2.818009 -2.576897 
4.325605 
1 1 1 -8  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -14 7  o 39.01336 3.370358  320.0347       55.20371 0.000000       
0.000000 320.0347       55.20371 ?        ?        39.01336 3.370358 ? ? 
1 1 1 -8  -14 8  o 69.00501 1.719553  1009.857       48.60221 956.2664       
76.64336 1045.901       62.85668 67.45116 2.706488 70.55886 2.121881 -3.107697 
3.439107 
1 1 1 -8  -14 9  o 123.5266 1.671020  3200.795       86.05808 3256.290       
130.0880 3157.610       114.7576 124.4691 2.489410 122.5840 2.229814 1.885124 
3.342041 
1 1 1 -8  -14 10 o 105.1866 2.082054  2345.032       91.23277 2124.473       
133.2811 2539.494       125.1479 100.4809 3.159412 109.8923 2.712547 -9.411453 
4.164108 
1 1 1 -8  -14 11 o 91.92207 2.355833  1756.374       81.88652 1831.139       
155.5001 1727.685       96.32434 93.20085 3.974036 90.64328 2.531171 2.557571 
4.711666 
1 1 1 -8  -14 12 f 124.7673 1.943491  3265.147       100.7663 3210.667       
132.8179 3339.034       154.6769 123.5616 2.560320 125.9730 2.924617 -2.411453 
3.886981 
1 1 1 -8  -14 13 o 175.6899 2.403882  6499.788       176.9294 6498.803       
258.8376 6500.650       242.4022 175.6595 3.509756 175.7204 3.285757 
-0.6092834E-01 4.807763 
1 1 1 -8  -14 14 o 55.61205 1.975360  644.2370       45.75241 603.1654       
60.30101 699.9586       70.23695 53.54864 2.682237 57.67545 2.900653 -4.126812 
3.950719 
1 1 1 -8  -14 15 o 151.1306 2.113482  4631.849       111.2638 4499.017       
125.2289 5129.758       242.4533 146.2958 2.038890 155.9653 3.702722 -9.669525 
4.226964 
1 1 1 -8  -14 16 o 21.87368 4.007316  105.1224       37.21217 92.36349       
51.43850 119.1315       53.89965 20.53789 5.743510 23.20948 5.589849 -2.671593 
8.014631 
1 1 1 -8  -14 17 o 160.5052 2.085508  5439.146       140.3591 5231.341       
200.8530 5637.481       196.2234 157.4832 3.037843 163.5273 2.858127 -6.044128 
4.171016 
1 1 1 -8  -14 18 o 15.64026 3.979573  16.39979       39.01926 92.53263       
58.91282 -43.09691      52.07991 20.65304 6.256481 10.62747 4.919802 10.02557 
7.959146 
1 1 1 -8  -14 19 o 104.6101 2.119874  2321.042       91.40177 2269.422       
142.7433 2356.916       118.9963 103.5495 3.283439 105.6707 2.682254 -2.121239 
4.239747 
1 1 1 -8  -14 20 o 48.82805 3.249196  529.7521       62.38993 574.3445       
77.94009 450.2084       104.0957 51.98900 3.570841 45.66710 5.429382 6.321896 
6.498392 
1 1 1 -8  -14 21 o 100.5508 3.091056  2169.052       130.4254 2100.740       
181.1230 2242.623       187.9660 98.91310 4.361550 102.1885 4.381254 -3.275352 
6.182112 
1 1 1 -8  -14 22 o 66.00827 2.893098  937.7757       80.09938 981.9595       
113.1335 893.3659       113.4224 67.60878 3.985740 64.40777 4.194512 3.201012 
5.786196 
1 1 1 -8  -14 23 o 32.45085 9.963283  267.4044       148.7317 267.4044       
148.7317 0.000000       0.000000 32.45085 9.963283 ?        ?        ? ? 
1 1 1 -8  -14 24 o 20.12771 7.812138  74.67000       94.56731 0.000000       
0.000000 74.67000       94.56731 ?        ?        20.12771 7.812138 ? ? 
1 1 1 -8  -14 25 o 36.24669 6.136250  364.5988       88.65392 253.9329       
173.5807 403.6537       103.1174 30.37833 10.79826 42.11506 5.831975 -11.73673 
12.27250 
1 1 1 -8  -14 26 o 91.47739 3.964571  1926.821       147.3494 1886.447       
237.7303 1952.008       187.7670 89.64726 6.316386 93.30753 4.793180 -3.660263 
7.929143 
1 1 1 -8  -14 27 o 18.64963 5.906975  26.98229       90.68785 -28.89177      
172.9922 48.15657       106.4941 18.96552 8.851266 18.33373 7.824608 0.6317902 
11.81395 
1 1 1 -8  -13 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -13 2  o 458.4395 5.976001  44312.43       1081.158 44398.21       
1883.676 44270.29       1320.286 458.3879 9.788004 458.4910 6.858959 
-0.1030579     11.95200 
1 1 1 -8  -13 3  o 54.14014 2.195331  625.7405       48.97853 498.7132       
70.37453 745.0685       68.20844 48.72038 3.440534 59.55990 2.727754 -10.83952 
4.390663 
1 1 1 -8  -13 4  o 127.7673 2.246195  3504.506       111.4559 3228.445       
195.8168 3636.801       135.5564 123.9429 3.763133 131.5918 2.453649 -7.648880 
4.492389 
1 1 1 -8  -13 5  o 438.0236 4.694165  40565.52       832.5271 39946.14       
1366.886 40930.79       1049.689 435.1206 7.482450 440.9266 5.670423 -5.805939 
9.388330 
1 1 1 -8  -13 6  o 177.5959 2.915928  6706.641       192.2798 6473.248       
368.9083 6793.694       225.3032 175.3761 5.010362 179.8156 2.984427 -4.439545 
5.831855 
1 1 1 -8  -13 7  o 182.0534 3.618346  6700.394       156.3053 7324.833       
539.4422 6643.163       163.3112 186.2636 6.898234 177.8432 2.187256 8.420395 
7.236692 
1 1 1 -8  -13 8  o 38.98383 2.419662  334.4831       37.15246 271.3533       
61.02813 371.6562       46.83030 35.91164 4.047771 42.05601 2.652283 -6.144371 
4.839324 
1 1 1 -8  -13 9  o 145.8739 2.286925  4513.722       135.8553 4309.650       
218.0963 4643.113       173.6635 143.1225 3.629623 148.6253 2.783152 -5.502808 
4.573850 
1 1 1 -8  -13 10 o 259.3072 3.522319  14311.16       377.0031 13438.56       
579.1168 14952.96       496.6575 252.2533 5.468276 266.3611 4.441272 -14.10777 
7.044639 
1 1 1 -8  -13 11 o 210.9301 2.725558  9259.540       228.9132 9025.276       
280.4564 9727.105       396.2179 207.0934 3.225672 214.7669 4.394281 -7.673447 
5.451116 
1 1 1 -8  -13 12 o 128.7435 2.187660  3483.034       118.1545 3321.345       
163.5947 3659.345       170.8316 125.6240 3.101827 131.8631 3.085789 -6.239044 
4.375320 
1 1 1 -8  -13 13 o 27.96126 3.276231  175.2089       36.01216 225.7409       
49.49010 118.3414       52.50094 32.73500 3.601033 23.18752 5.474242 9.547480 
6.552463 
1 1 1 -8  -13 14 o 51.04000 2.072307  541.4328       44.09892 492.5381       
58.32629 606.6837       67.37929 48.38514 2.871266 53.69487 2.988923 -5.309734 
4.144614 
1 1 1 -8  -13 15 o 129.5405 2.038869  3490.159       106.7969 3384.474       
133.1478 3680.802       178.8296 126.8613 2.499919 132.2198 3.221545 -5.358437 
4.077738 
1 1 1 -8  -13 16 o 118.0125 1.869438  2923.704       92.27116 2855.611       
124.5393 3006.572       137.3868 116.5031 2.546186 119.5219 2.737906 -3.018852 
3.738876 
1 1 1 -8  -13 17 o 108.1749 1.860418  2461.301       83.72706 2445.002       
111.0095 2482.807       127.5148 107.7813 2.453229 108.5684 2.797550 
-0.7871857     3.720836 
1 1 1 -8  -13 18 o 16.53954 4.263916  47.93064       38.56667 42.25839       
55.22155 53.33183       53.88599 16.13793 6.043145 16.94114 6.017003 
-0.8032150     8.527832 
1 1 1 -8  -13 19 o 54.58727 2.313563  624.4070       52.74059 682.9623       
79.76695 578.9263       70.29977 56.83303 3.343053 52.34150 3.199107 4.491531 
4.627126 
1 1 1 -8  -13 20 o 89.13716 2.232312  1678.653       82.94090 1702.894       
125.4012 1659.802       110.5835 89.66811 3.331076 88.60621 2.972675 1.061897 
4.464624 
1 1 1 -8  -13 21 o 38.50829 3.013912  315.4313       48.26047 380.2513       
70.88559 259.4269       65.88919 42.21945 3.999138 34.79712 4.510160 7.422337 
6.027823 
1 1 1 -8  -13 22 o 38.56611 4.811244  345.1039       73.74416 391.4814       
97.38196 282.7534       112.9131 42.39054 5.471805 34.74168 7.915279 7.648861 
9.622489 
1 1 1 -8  -13 23 f 18.93730 7.501743  54.05239       88.45953 0.000000       
0.000000 54.05239       88.45953 ?        ?        18.93730 7.501743 ? ? 
1 1 1 -8  -13 24 o 22.90004 5.124344  102.0108       66.17486 212.6540       
92.23676 -15.34851      94.99495 29.79947 7.397554 16.00060 7.093081 13.79887 
10.24869 
1 1 1 -8  -13 25 o 33.00478 5.286531  265.8016       71.98775 217.9936       
101.7179 313.7757       101.8945 29.66026 7.988856 36.34931 6.925881 -6.689053 
10.57306 
1 1 1 -8  -13 26 o 20.92230 6.256618  58.58607       87.05686 78.72350       
163.8821 50.66948       102.7540 22.82433 9.722767 19.02028 7.877112 3.804052 
12.51324 
1 1 1 -8  -13 27 o 29.59423 6.394753  259.8316       92.15488 141.0508       
174.3205 305.9035       108.5658 24.59926 10.22815 34.58920 7.678313 -9.989944 
12.78951 
1 1 1 -8  -13 28 o 31.67175 6.867365  315.1682       98.58368 292.2635       
186.9507 323.9905       116.0267 28.99539 11.05046 34.34812 8.156599 -5.352730 
13.73473 
1 1 1 -8  -12 1  o 221.3043 3.007735  9723.657       160.8933 11005.64       
548.9412 9603.178       168.2839 228.7452 5.716036 213.8635 1.874248 14.88171 
6.015469 
1 1 1 -8  -12 2  o 347.5153 5.727262  25450.25       835.3173 25251.42       
1164.263 25661.16       1199.143 346.1323 8.011802 348.8983 8.186401 -2.765991 
11.45452 
1 1 1 -8  -12 3  o 219.7433 5.119854  10153.96       472.3373 10153.96       
472.3373 0.000000       0.000000 219.7433 5.119854 ?        ?        ? ? 
1 1 1 -8  -12 4  o 195.4955 2.751125  8058.484       223.0729 7850.081       
340.7725 8214.749       295.0827 193.2589 4.199969 197.7320 3.554576 -4.473129 
5.502250 
1 1 1 -8  -12 5  o 276.4194 4.605643  15736.86       426.5443 16689.28       
970.0259 15508.56       474.9235 281.2171 8.216042 271.6217 4.164666 9.595398 
9.211286 
1 1 1 -8  -12 6  o 128.3065 2.255847  3417.525       111.2501 3561.456       
205.5273 3357.877       132.3091 130.1718 3.760743 126.4411 2.492427 3.730713 
4.511693 
1 1 1 -8  -12 7  o 112.7782 2.472193  2669.791       93.95298 2679.061       
209.2801 2667.451       105.1440 112.8589 4.416854 112.6976 2.222240 0.1613388 
4.944386 
1 1 1 -8  -12 8  o 245.0470 3.444776  12517.31       327.3955 12962.61       
594.2070 12323.20       392.3163 248.0175 5.706588 242.0766 3.860154 5.940933 
6.889553 
1 1 1 -8  -12 9  o 47.56839 2.452558  518.0121       44.82602 316.5885       
68.72382 667.1633       59.13782 38.78607 4.220390 56.35072 2.499695 -17.56464 
4.905117 
1 1 1 -8  -12 10 o 101.8181 2.140636  2180.203       91.30819 1996.362       
127.9651 2370.889       130.3258 97.43880 3.128101 106.1974 2.923059 -8.758598 
4.281272 
1 1 1 -8  -12 11 o 149.1232 2.257864  4626.025       138.4368 4435.195       
176.9596 4927.032       222.2483 145.2305 2.902268 153.0160 3.459574 -7.785522 
4.515729 
1 1 1 -8  -12 12 o 32.44376 2.524180  218.0088       33.99799 198.7638       
44.24057 245.7673       53.13232 30.72751 3.429370 34.16001 3.704775 -3.432497 
5.048360 
1 1 1 -8  -12 13 o 106.2238 2.102871  2372.076       88.11427 2367.873       
107.5219 2380.673       153.7561 106.1239 2.413264 106.3237 3.444477 
-0.1998367     4.205742 
1 1 1 -8  -12 14 o 170.0419 2.207295  6054.552       143.8121 6009.991       
171.0688 6161.933       265.5558 169.0713 2.410028 171.0125 3.698699 -1.941254 
4.414590 
1 1 1 -8  -12 15 o 214.2130 2.621586  9695.454       231.3766 9812.646       
300.6761 9525.296       362.3065 215.8840 3.317413 212.5419 4.060248 3.342102 
5.243171 
1 1 1 -8  -12 16 o 71.62954 1.990602  1078.530       59.61688 1090.798       
88.63914 1068.397       80.56067 71.99399 2.932583 71.26509 2.692572 0.7288971 
3.981204 
1 1 1 -8  -12 17 o 124.4646 2.277823  3272.471       118.5078 3164.903       
174.2837 3364.979       161.6222 122.5325 3.387868 126.3966 3.045696 -3.864098 
4.555647 
1 1 1 -8  -12 18 f 55.59710 2.315845  660.6345       53.34058 571.1925       
78.26360 738.2212       72.89243 52.00963 3.584241 59.18457 2.933560 -7.174942 
4.631691 
1 1 1 -8  -12 19 o 119.0029 2.112642  2980.428       105.4012 2853.398       
144.4279 3125.170       154.1679 116.3026 2.957896 121.7032 3.017263 -5.400589 
4.225284 
1 1 1 -8  -12 20 o 65.11326 2.067559  892.2752       56.37767 856.5120       
76.51782 934.7448       83.38409 63.69870 2.861232 66.52782 2.985389 -2.829113 
4.135118 
1 1 1 -8  -12 21 o 191.5422 3.362381  7831.310       269.7292 8112.984       
398.1461 7592.371       366.7005 194.6270 4.872597 188.4574 4.634675 6.169525 
6.724761 
1 1 1 -8  -12 22 o 78.38259 5.632607  1333.997       185.3566 0.000000       
0.000000 1333.997       185.3566 ?        ?        78.38259 5.632607 ? ? 
1 1 1 -8  -12 23 o 35.05763 4.679681  276.5392       67.12473 337.3229       
97.97382 222.7660       92.15097 39.16525 5.958408 30.95002 7.217689 8.215233 
9.359363 
1 1 1 -8  -12 24 o 32.13945 5.123874  243.9353       67.54687 227.2557       
97.04075 259.6125       94.07945 30.92746 7.532934 33.35144 6.947752 -2.423983 
10.24775 
1 1 1 -8  -12 25 o 50.66843 3.823776  567.6911       81.14500 599.7355       
119.9418 540.6456       110.1901 51.93429 5.500948 49.40257 5.312685 2.531723 
7.647552 
1 1 1 -8  -12 26 o 40.96464 4.818276  393.4365       78.74838 527.7433       
115.8478 278.0699       107.3689 48.34825 5.707265 33.58102 7.764681 14.76723 
9.636553 
1 1 1 -8  -12 27 o 88.75789 3.194680  1743.628       118.9186 1803.008       
173.1032 1690.559       163.6474 90.12717 4.574782 87.38860 4.460415 2.738571 
6.389361 
1 1 1 -8  -12 28 o 46.17183 4.670353  497.3604       88.83165 647.2094       
141.2115 399.2274       114.2749 51.82590 6.489994 40.51775 6.717795 11.30816 
9.340707 
1 1 1 -8  -12 29 o 48.55408 7.032298  752.5038       120.0422 617.7278       
244.3272 795.3902       137.8242 39.42262 12.86183 57.68553 5.690882 -18.26291 
14.06460 
1 1 1 -8  -11 1  o 481.7394 3.711762  48964.62       713.0314 48243.25       
1211.655 49346.78       881.9039 478.8941 6.026435 484.5847 4.334836 -5.690613 
7.423525 
1 1 1 -8  -11 2  o 56.53060 2.234504  669.8516       52.88953 742.5216       
76.56950 603.5412       73.14233 59.45776 3.067385 53.60343 3.250104 5.854332 
4.469007 
1 1 1 -8  -11 3  o 55.99598 2.121258  662.5627       48.62172 640.1385       
77.25980 677.2680       62.56494 55.20308 3.333584 56.78888 2.624151 -1.585808 
4.242517 
1 1 1 -8  -11 4  o 143.4326 3.798940  4322.667       228.7647 0.000000       
0.000000 4322.667       228.7647 ?        ?        143.4326 3.798940 ? ? 
1 1 1 -8  -11 5  o 533.8508 8.155766  59797.51       1432.766 61333.31       
3304.560 59441.97       1589.987 536.5101 14.67090 531.1916 7.129570 5.318542 
16.31153 
1 1 1 -8  -11 6  o 124.8764 2.635416  3170.119       119.7748 3492.351       
244.7256 3068.620       137.3493 128.8814 4.522830 120.8715 2.706599 8.009918 
5.270831 
1 1 1 -8  -11 7  o 135.7643 3.005232  3888.314       134.6092 3854.264       
307.3784 3896.394       149.7303 135.3287 5.410090 136.1998 2.618511 
-0.8711090     6.010464 
1 1 1 -8  -11 8  o 157.5650 2.528246  5280.796       164.1061 4856.516       
252.0540 5592.983       216.2098 151.9832 3.950200 163.1468 3.156587 -11.16362 
5.056493 
1 1 1 -8  -11 9  o 171.4327 3.506692  6084.390       219.2551 6396.074       
441.5914 5982.412       252.5892 174.1771 6.038801 168.6883 3.566572 5.488800 
7.013384 
1 1 1 -8  -11 10 f 151.5222 2.427250  4826.022       154.3627 4994.035       
220.3216 4664.033       216.3366 154.1136 3.405157 148.9308 3.459925 5.182877 
4.854500 
1 1 1 -8  -11 11 o 146.8876 2.282097  4524.347       134.1327 4580.294       
227.8103 4494.660       165.9473 147.5411 3.677742 146.2342 2.702976 1.306976 
4.564194 
1 1 1 -8  -11 12 o 128.5493 1.935704  3416.312       93.58681 3346.323       
109.5954 3604.772       179.8405 126.2017 2.068465 130.8968 3.272500 -4.695061 
3.871408 
1 1 1 -8  -11 13 o 102.2109 1.663588  2181.433       70.13289 2121.070       
90.48007 2272.284       111.0023 100.4631 2.145197 103.9587 2.543270 -3.495537 
3.327175 
1 1 1 -8  -11 14 o 152.4527 2.099797  4891.962       133.8877 4906.269       
181.7531 4874.988       197.9772 152.7128 2.834834 152.1927 3.098435 0.5200195 
4.199593 
1 1 1 -8  -11 15 f 97.72891 1.965395  2009.286       80.34837 2006.880       
118.7494 2011.317       109.1199 97.66622 2.896062 97.79160 2.657807 
-0.1253738     3.930791 
1 1 1 -8  -11 16 o 66.82462 2.073633  947.3984       57.68975 836.7903       
83.51818 1048.330       79.78132 63.05102 3.155077 70.59821 2.691712 -7.547192 
4.147267 
1 1 1 -8  -11 17 o 98.53972 2.049707  2021.830       82.65974 2138.899       
134.3146 1950.461       104.8715 100.7861 3.174269 96.29337 2.594073 4.492699 
4.099415 
1 1 1 -8  -11 18 f 101.6730 2.147125  2169.503       89.64365 2216.861       
143.1840 2138.974       114.9625 102.5461 3.325804 100.7999 2.716546 1.746155 
4.294251 
1 1 1 -8  -11 19 o 48.26176 2.534667  495.1302       50.68397 400.0545       
71.10132 593.3540       72.26886 43.49416 3.893747 53.02936 3.246055 -9.535198 
5.069334 
1 1 1 -8  -11 20 o 39.63905 3.285984  336.9172       54.02574 393.9616       
76.10733 278.9749       76.70403 43.09572 4.206428 36.18237 5.049428 6.913353 
6.571968 
1 1 1 -8  -11 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -11 22 o 98.93521 2.634018  2070.841       108.6708 2165.249       
164.9369 1998.421       144.4584 100.8598 3.895119 97.01060 3.546865 3.849228 
5.268036 
1 1 1 -8  -11 23 o 84.64551 2.610807  1530.513       92.55933 1645.209       
130.6037 1414.775       131.1956 87.89069 3.539433 81.40032 3.838967 6.490372 
5.221614 
1 1 1 -8  -11 24 o 84.17098 2.718400  1506.664       93.02095 1471.147       
117.1255 1567.334       153.0811 83.04504 3.359377 85.29692 4.274737 -2.251877 
5.436800 
1 1 1 -8  -11 25 o 44.41014 4.044215  436.7203       75.32223 464.8409       
109.0858 411.0966       104.1303 45.79270 5.674050 43.02758 5.764361 2.765121 
8.088430 
1 1 1 -8  -11 26 o 43.38230 4.709215  434.2074       79.42865 638.6868       
118.6265 268.0364       106.9387 53.63498 5.268108 33.12962 7.807295 20.50536 
9.418430 
1 1 1 -8  -11 27 o 84.25673 3.349434  1561.535       117.8293 1675.822       
178.2318 1472.805       157.0436 86.83209 4.889067 81.68137 4.579504 5.150719 
6.698868 
1 1 1 -8  -11 28 o 68.26692 3.652716  1054.883       104.6335 1103.301       
149.7628 1008.712       146.2479 69.85311 5.106686 66.68074 5.224087 3.172371 
7.305431 
1 1 1 -8  -11 29 o 34.80117 5.614390  335.2611       85.54929 457.7040       
118.3408 201.2291       123.8146 43.25002 6.517325 26.35231 9.143850 16.89771 
11.22878 
1 1 1 -8  -10 1  o 114.5432 2.030864  2754.360       97.50167 2773.339       
142.2553 2737.545       133.9000 114.9138 2.948611 114.1726 2.793442 0.7411270 
4.061728 
1 1 1 -8  -10 2  o 269.7036 2.524597  15191.30       260.7473 15497.83       
482.3463 15064.73       309.9367 271.5752 4.230483 267.8320 2.756333 3.743195 
5.049194 
1 1 1 -8  -10 3  o 230.9649 2.729434  10961.28       174.5571 11538.96       
501.5648 10881.67       186.1972 234.2761 5.099413 227.6538 1.948136 6.622284 
5.458869 
1 1 1 -8  -10 4  o 265.7806 3.372056  14416.40       219.7954 15389.75       
727.5037 14318.63       230.5702 270.4247 6.407814 261.1364 2.103085 9.288300 
6.744112 
1 1 1 -8  -10 5  o 351.5405 6.090817  26485.15       788.2134 25185.56       
1525.748 26958.25       920.5712 345.1509 10.52919 357.9300 6.126047 -12.77908 
12.18163 
1 1 1 -8  -10 6  o 180.0946 6.605507  6829.101       499.4427 6829.101       
499.4427 0.000000       0.000000 180.0946 6.605507 ?        ?        ? ? 
1 1 1 -8  -10 7  o 132.9575 2.834003  3614.892       121.7063 3874.401       
291.2065 3559.970       133.9677 135.7189 5.110719 130.1961 2.450886 5.522766 
5.668005 
1 1 1 -8  -10 8  o 118.5155 2.451427  2923.482       114.6142 3033.315       
201.6099 2871.036       139.3168 120.1239 3.997637 116.9072 2.838465 3.216751 
4.902855 
1 1 1 -8  -10 9  o 78.75470 1.772695  1289.109       58.08194 1207.842       
76.25922 1401.377       89.63228 75.83212 2.395302 81.67728 2.613871 -5.845161 
3.545391 
1 1 1 -8  -10 10 o 151.0596 2.400480  4798.630       150.4993 4808.907       
198.5251 4784.743       230.7729 151.2659 3.126046 150.8533 3.643770 0.4125977 
4.800961 
1 1 1 -8  -10 11 o 166.8303 2.165462  5813.740       144.5253 5731.207       
178.4295 5971.182       246.4407 165.1533 2.573359 168.5073 3.483492 -3.353973 
4.330923 
1 1 1 -8  -10 12 o 194.4699 2.345237  7899.962       179.4817 7800.166       
217.9404 8110.298       316.3987 192.6394 2.694721 196.3004 3.839145 -3.661041 
4.690475 
1 1 1 -8  -10 13 f 223.6262 2.706521  10479.20       251.9796 10150.90       
333.1284 10918.22       385.2281 219.5912 3.613415 227.6613 4.030416 -8.070129 
5.413042 
1 1 1 -8  -10 14 f 56.01669 2.012874  658.7187       47.23294 723.6968       
68.34909 599.3235       65.34692 58.65835 2.775389 53.37503 2.916138 5.283321 
4.025748 
1 1 1 -8  -10 15 o 225.4966 2.965243  10707.04       271.1325 10654.05       
341.3674 10797.59       446.2458 224.8813 3.615678 226.1118 4.700803 -1.230453 
5.930487 
1 1 1 -8  -10 16 o 122.8655 2.378335  3180.013       117.8208 3173.308       
196.0357 3183.804       147.4168 122.7118 3.805134 123.0191 2.854272 
-0.3073349     4.756670 
1 1 1 -8  -10 17 o 70.69107 2.166517  1048.328       64.17378 998.4580       
87.47469 1106.450       94.43536 68.87881 3.024947 72.50333 3.102400 -3.624527 
4.333035 
1 1 1 -8  -10 18 o 111.5923 2.020875  2621.266       92.47218 2619.763       
147.5210 2622.240       118.6838 111.5342 3.150407 111.6504 2.531932 
-0.1161957     4.041750 
1 1 1 -8  -10 19 o 62.52956 2.410601  824.1409       63.25026 862.4713       
90.68085 787.8242       88.26675 63.94722 3.377652 61.11189 3.440270 2.835339 
4.821203 
1 1 1 -8  -10 20 o 88.25083 6.151785  1667.252       227.9287 1667.252       
227.9287 0.000000       0.000000 88.25083 6.151785 ?        ?        ? ? 
1 1 1 -8  -10 21 o 32.07497 4.472642  222.1598       58.88034 289.8068       
88.38538 168.1849       78.94993 36.77792 5.724194 27.37201 6.873989 9.405910 
8.945285 
1 1 1 -8  -10 22 o 133.7085 3.161707  3811.007       177.4287 3945.186       
252.7184 3680.576       249.1636 136.0506 4.424432 131.3665 4.517738 4.684082 
6.323414 
1 1 1 -8  -10 23 f 80.78027 2.625833  1388.258       89.03996 1366.489       
124.5992 1410.976       127.2869 80.13625 3.703457 81.42428 3.723495 -1.288025 
5.251667 
1 1 1 -8  -10 24 o 44.34232 3.540223  425.2759       65.82410 455.7006       
94.58464 396.7019       91.66279 45.90510 4.907731 42.77954 5.103616 3.125557 
7.080446 
1 1 1 -8  -10 25 o 46.29412 3.491292  457.4240       65.99300 628.9854       
100.6186 327.9110       87.42285 53.92195 4.444610 38.66630 5.385344 15.25565 
6.982584 
1 1 1 -8  -10 26 o 53.11446 3.851539  618.0964       85.23700 734.3263       
127.4117 523.9377       114.6780 57.67870 5.261562 48.55022 5.626133 9.128479 
7.703078 
1 1 1 -8  -10 27 o 33.65007 5.632307  277.8665       78.20434 306.0473       
116.3742 254.6606       105.6038 35.18440 8.049069 32.11573 7.880609 3.068665 
11.26461 
1 1 1 -8  -10 28 o 98.18931 3.426601  2131.045       140.5791 2330.159       
211.8795 1974.462       187.8927 102.1404 4.940969 94.23817 4.749021 7.902283 
6.853202 
1 1 1 -8  -10 29 o 60.20772 4.029389  813.7358       98.71781 1143.132       
153.6096 581.9764       128.8481 70.76946 5.170036 49.64597 6.181800 21.12349 
8.058779 
1 1 1 -8  -10 30 o 28.67670 6.167914  239.6268       85.44377 319.4236       
120.1233 157.9085       121.5610 33.66181 8.494411 23.69159 8.945258 9.970219 
12.33583 
1 1 1 -8  -9  1  o 273.8910 2.734942  15760.89       314.1931 15780.49       
435.1498 15739.55       454.1299 274.0738 3.781745 273.7083 3.951967 0.3655396 
5.469885 
1 1 1 -8  -9  2  o 97.82682 2.039796  2002.960       82.16935 2044.717       
130.1530 1975.287       105.9546 98.66750 3.141963 96.98615 2.602142 1.681351 
4.079592 
1 1 1 -8  -9  3  f 211.4426 2.318311  9449.803       169.1967 9286.852       
362.9494 9495.048       191.2487 210.2339 4.112107 212.6512 2.142159 -2.417328 
4.636622 
1 1 1 -8  -9  4  o 353.0428 3.794216  26542.69       368.3089 25766.10       
1045.384 26652.74       393.5429 349.8323 7.117659 356.2533 2.631203 -6.420959 
7.588431 
1 1 1 -8  -9  5  o 268.1074 3.302377  15282.49       255.0533 14871.74       
685.9149 15348.40       274.7546 265.8627 6.145169 270.3520 2.420675 -4.489258 
6.604753 
1 1 1 -8  -9  6  o 272.8263 4.940311  15666.37       489.7876 15689.09       
980.1747 15658.81       565.4427 272.7447 8.559891 272.9078 4.935075 
-0.1630859     9.880622 
1 1 1 -8  -9  7  o 66.46082 2.886177  927.7522       80.53182 0.000000       
0.000000 927.7522       80.53182 ?        ?        66.46082 2.886177 ? ? 
1 1 1 -8  -9  8  o 337.4258 4.386065  23960.72       619.3357 23831.78       
841.6241 24113.03       914.6747 336.4753 5.957802 338.3764 6.438544 -1.901154 
8.772130 
1 1 1 -8  -9  9  o 161.0930 2.200997  5154.611       109.6595 5020.970       
119.0653 5901.623       281.5002 154.6337 1.834011 167.5523 4.001744 -12.91867 
4.401994 
1 1 1 -8  -9  10 o 239.4653 2.972347  11964.42       290.5259 11665.73       
367.7299 12460.50       473.9106 235.5682 3.718205 243.3624 4.638356 -7.794144 
5.944695 
1 1 1 -8  -9  11 o 81.31429 1.809779  1337.834       60.15131 1180.639       
75.32193 1614.575       99.93974 74.96826 2.393123 87.66032 2.715540 -12.69206 
3.619558 
1 1 1 -8  -9  12 o 78.35246 1.847684  1286.365       60.67679 1190.210       
83.50563 1393.918       88.31617 75.25842 2.642906 81.44650 2.582789 -6.188072 
3.695369 
1 1 1 -8  -9  13 o 94.25171 1.902308  1869.847       73.32195 1856.017       
117.6533 1878.629       93.75491 93.95174 2.982774 94.55167 2.361815 
-0.5999298     3.804617 
1 1 1 -8  -9  14 o 208.1015 3.028259  9112.945       263.4249 8967.539       
355.0565 9290.989       392.8875 206.2941 4.099507 209.9089 4.458189 -3.614731 
6.056517 
1 1 1 -8  -9  15 o 23.72523 3.771670  123.2217       36.98479 158.9320       
53.67817 90.94671       51.03096 27.01209 4.914946 20.43837 5.722349 6.573723 
7.543339 
1 1 1 -8  -9  16 o 135.2935 2.062680  3854.904       117.0543 3712.074       
166.8761 3993.249       164.2349 132.8159 2.992714 137.7711 2.839411 -4.955215 
4.125360 
1 1 1 -8  -9  17 o 120.1089 2.113124  3038.493       106.2785 2993.145       
155.3853 3078.356       145.6844 119.2547 3.103527 120.9631 2.868674 -1.708466 
4.226247 
1 1 1 -8  -9  18 o 267.3945 3.822614  14989.91       403.7415 14711.85       
491.4694 15567.05       708.0573 263.9841 4.434450 270.8050 6.227774 -6.820831 
7.645228 
1 1 1 -8  -9  19 o 143.2367 3.932720  4367.166       234.9371 4483.193       
317.1740 4226.118       349.7057 145.4499 5.194039 141.0235 5.906530 4.426407 
7.865440 
1 1 1 -8  -9  20 o 96.55911 3.651828  1915.232       124.8069 2104.883       
264.9966 1861.173       141.4809 99.23110 6.360827 93.88712 3.589326 5.343987 
7.303656 
1 1 1 -8  -9  21 o 63.24678 3.068430  847.5082       81.40503 872.3754       
118.1718 825.0508       112.3007 64.12094 4.389702 62.37262 4.288539 1.748318 
6.136860 
1 1 1 -8  -9  22 o 69.38731 2.685072  1028.783       77.52126 1105.072       
105.5353 939.3823       114.2452 72.25786 3.478834 66.51677 4.090985 5.741089 
5.370144 
1 1 1 -8  -9  23 o 87.11954 2.660684  1612.666       97.31512 1604.587       
137.7668 1620.711       137.4823 86.89801 3.776207 87.34106 3.749295 
-0.4430466     5.321367 
1 1 1 -8  -9  24 f 70.32875 2.776915  1055.404       81.96958 1090.829       
117.1015 1021.371       114.7784 71.49305 3.901392 69.16444 3.952743 2.328606 
5.553830 
1 1 1 -8  -9  25 o 88.50432 2.496359  1676.428       92.50465 1754.620       
128.2951 1591.760       133.5029 90.72564 3.368225 86.28300 3.685416 4.442635 
4.992718 
1 1 1 -8  -9  26 o 46.20150 3.729646  468.0762       72.03471 460.5261       
97.18311 477.2823       107.3135 45.87554 5.045807 46.52747 5.493712 
-0.6519279     7.459293 
1 1 1 -8  -9  27 o 45.48566 4.765168  473.7381       90.87249 475.6205       
132.0031 472.0425       125.2861 45.47135 6.914604 45.49997 6.558624 
-0.2861786E-01 9.530335 
1 1 1 -8  -9  28 f 57.24657 3.931766  742.1028       93.73021 700.6995       
138.8780 776.7393       127.0230 55.47906 5.962458 59.01410 5.126814 -3.535038 
7.863532 
1 1 1 -8  -9  29 o 76.54075 3.273365  1305.964       104.6920 1290.251       
155.0167 1319.142       141.9574 75.88687 4.865561 77.19463 4.380182 -1.307755 
6.546731 
1 1 1 -8  -9  30 o 24.82387 6.428992  171.1333       87.90121 159.8094       
130.0196 180.6660       119.2940 24.24099 9.222243 25.40676 8.959797 -1.165771 
12.85798 
1 1 1 -8  -8  1  o 155.0396 2.406801  4974.824       147.1356 5262.993       
260.2282 4839.409       178.3873 158.2758 3.916163 151.8033 2.799007 6.472565 
4.813603 
1 1 1 -8  -8  2  o 333.0371 3.638195  23288.99       493.2543 23426.20       
803.6346 23206.06       624.7856 333.7657 5.735061 332.3086 4.478273 1.457123 
7.276390 
1 1 1 -8  -8  3  o 324.7290 3.715079  22552.56       384.9950 21580.73       
909.4156 22764.75       424.9537 320.2317 6.764242 329.2263 3.074455 -8.994537 
7.430158 
1 1 1 -8  -8  4  o 300.0143 2.718377  18538.68       282.8709 19572.33       
613.4438 18259.54       318.7860 305.1526 4.788272 294.8760 2.575022 10.27655 
5.436754 
1 1 1 -8  -8  5  o 129.2531 2.240148  3516.817       97.08202 3496.036       
217.2269 3522.004       108.5229 128.9913 4.011201 129.5150 1.995825 
-0.5237579     4.480296 
1 1 1 -8  -8  6  o 265.8190 2.219003  14841.78       247.5177 14225.14       
348.2601 15471.20       351.8535 260.2371 3.187539 271.4008 3.087960 -11.16376 
4.438007 
1 1 1 -8  -8  7  o 167.0557 3.476851  5625.812       137.5693 6166.029       
476.3071 5576.646       143.6932 171.1443 6.628966 162.9672 2.100183 8.177078 
6.953701 
1 1 1 -8  -8  8  o 270.6969 3.924249  15398.72       443.6649 15254.12       
596.4314 15577.84       663.8419 269.3041 5.275195 272.0897 5.811303 -2.785583 
7.848498 
1 1 1 -8  -8  9  o 327.1965 6.436539  22547.54       884.1786 22547.54       
884.1786 0.000000       0.000000 327.1965 6.436539 ?        ?        ? ? 
1 1 1 -8  -8  10 o 338.1626 4.360990  23956.28       557.7630 23784.70       
657.6562 24395.93       1052.732 336.2714 4.658328 340.0537 7.373799 -3.782288 
8.721979 
1 1 1 -8  -8  11 o 141.4782 1.994212  4220.563       117.6914 4057.143       
174.7303 4356.273       159.2292 138.9545 2.995137 144.0019 2.633756 -5.047455 
3.988423 
1 1 1 -8  -8  12 f 50.06073 2.094878  524.0618       43.91204 577.4375       
64.61750 478.2605       59.85734 52.41792 2.936239 47.70354 2.988738 4.714382 
4.189756 
1 1 1 -8  -8  13 o 212.2835 3.065964  9211.591       231.4944 10014.18       
487.6390 8978.094       263.0217 217.9131 5.330109 206.6539 3.031580 11.25923 
6.131928 
1 1 1 -8  -8  14 o 119.7767 2.144162  3018.492       107.7225 2981.295       
155.1780 3053.088       149.6572 119.0589 3.104483 120.4945 2.958363 -1.435608 
4.288324 
1 1 1 -8  -8  15 o 76.94177 1.899662  1238.819       61.20454 1130.649       
83.47463 1364.580       90.00655 73.32588 2.711554 80.55767 2.661266 -7.231789 
3.799324 
1 1 1 -8  -8  16 o 87.81558 1.849885  1619.141       68.13524 1681.432       
99.07216 1563.238       93.85494 89.41412 2.639165 86.21705 2.592896 3.197067 
3.699771 
1 1 1 -8  -8  17 o 113.2990 1.712209  2685.575       80.74180 2602.482       
106.6522 2797.142       123.5814 111.2661 2.283117 115.3320 2.552258 -4.065880 
3.424418 
1 1 1 -8  -8  18 o 145.6063 3.367338  4408.241       198.9953 4746.524       
331.5878 4217.830       248.7741 149.8026 5.272302 141.4100 4.190310 8.392593 
6.734676 
1 1 1 -8  -8  19 o 112.9721 6.804884  2717.098       322.7534 0.000000       
0.000000 2717.098       322.7534 ?        ?        112.9721 6.804884 ? ? 
1 1 1 -8  -8  20 o 28.61442 5.270911  188.3337       64.84541 131.6086       
102.6494 226.0038       83.65006 25.22559 8.336716 32.00325 6.452069 -6.777653 
10.54182 
1 1 1 -8  -8  21 o 49.73616 3.435174  516.1384       71.09249 604.6203       
109.4992 451.6626       93.47218 53.35272 4.888496 46.11959 4.827452 7.233128 
6.870349 
1 1 1 -8  -8  22 o 211.5919 4.917379  9668.713       436.0415 9598.757       
598.1263 9748.064       637.0214 210.9464 6.753701 212.2375 7.149126 -1.291092 
9.834759 
1 1 1 -8  -8  23 o 72.88689 2.875379  1123.355       87.76243 1213.076       
129.8239 1047.846       119.0982 75.54792 4.093107 70.22586 4.039515 5.322060 
5.750758 
1 1 1 -8  -8  24 o 83.80283 2.741009  1496.063       96.22275 1483.697       
140.5132 1506.984       132.0406 83.43468 4.011360 84.17098 3.736511 
-0.7362976     5.482018 
1 1 1 -8  -8  25 o 164.4843 3.637177  5814.095       248.8640 5535.390       
327.3335 6195.859       383.1037 160.1141 4.869473 168.8546 5.404115 -8.740479 
7.274354 
1 1 1 -8  -8  26 o 50.18239 3.367986  544.1054       70.75634 604.1838       
103.6664 491.7072       96.81384 52.79376 4.677100 47.57103 4.847479 5.222733 
6.735972 
1 1 1 -8  -8  27 o 54.02132 3.302864  638.9916       74.61815 593.4427       
107.4156 681.4706       103.7327 52.04373 4.916092 55.99892 4.412221 -3.955196 
6.605729 
1 1 1 -8  -8  28 o 23.98414 5.841904  77.04148       84.34324 269.4782       
130.9858 -59.26093      110.2382 32.36278 9.202618 15.60551 7.198832 16.75727 
11.68381 
1 1 1 -8  -8  29 o 24.80783 6.223620  148.4848       86.99838 62.06079       
134.0043 211.4509       114.3813 21.05200 8.871786 28.56366 8.730703 -7.511656 
12.44724 
1 1 1 -8  -8  30 o 22.20516 6.246052  109.3583       86.68330 94.31703       
138.5344 119.0364       111.1253 21.99282 9.129571 22.41749 8.526641 
-0.4246750     12.49210 
1 1 1 -8  -8  31 o 31.06963 6.378409  280.6506       89.69258 351.9826       
131.5878 218.7507       122.5797 34.97231 8.929800 27.16695 9.110164 7.805359 
12.75682 
1 1 1 -8  -7  1  o 301.0020 3.683834  19021.55       464.3996 18709.77       
632.7497 19385.58       683.7293 298.3447 5.051666 303.6593 5.363134 -5.314636 
7.367668 
1 1 1 -8  -7  2  o 385.4451 4.084559  31178.05       658.8475 32009.54       
976.9724 30484.47       892.2791 390.1263 5.964831 380.7639 5.581693 9.362366 
8.169119 
1 1 1 -8  -7  3  o 278.1921 3.662013  15611.05       232.8564 17069.40       
837.9721 15489.02       242.4034 284.7812 7.008729 271.6031 2.125813 13.17816 
7.324027 
1 1 1 -8  -7  4  o 98.99553 1.866754  2025.300       68.56789 2127.881       
134.5361 1989.304       79.69536 100.6534 3.183694 97.33764 1.950174 3.315788 
3.733509 
1 1 1 -8  -7  5  o 569.2166 6.371625  68740.40       1085.905 67731.77       
2794.246 68919.83       1178.542 565.8299 11.76251 572.6033 4.902439 -6.773376 
12.74325 
1 1 1 -8  -7  6  o 685.1649 5.639995  99157.18       1470.821 98329.64       
2728.729 99496.05       1746.202 682.6053 9.521643 687.7245 6.047850 -5.119202 
11.27999 
1 1 1 -8  -7  7  o 594.7238 5.626013  74620.67       1395.203 73796.45       
2092.599 75280.27       1872.007 591.6239 8.424836 597.8237 7.458568 -6.199768 
11.25203 
1 1 1 -8  -7  8  o 289.8308 3.129313  17514.81       377.8957 16583.96       
499.3797 18762.11       578.0632 280.9079 4.234363 298.7537 4.608749 -17.84586 
6.258626 
1 1 1 -8  -7  9  o 178.9402 2.316895  6294.979       134.0164 6068.925       
146.8792 7418.678       327.4761 170.0062 2.057863 187.8743 4.151772 -17.86809 
4.633790 
1 1 1 -8  -7  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -7  11 o 187.5213 2.102340  7392.491       157.6454 7372.892       
267.1579 7402.961       195.2647 187.3060 3.397327 187.7367 2.477397 
-0.4306641     4.204679 
1 1 1 -8  -7  12 o 232.7739 3.197636  11375.49       311.1776 11669.53       
464.3272 11135.76       419.2587 235.4767 4.696748 230.0711 4.340514 5.405640 
6.395272 
1 1 1 -8  -7  13 o 187.6823 3.303745  7420.020       252.6599 7405.178       
409.7862 7429.124       320.9178 187.4607 5.206766 187.9038 4.067986 
-0.4430237     6.607490 
1 1 1 -8  -7  14 o 47.15798 2.300908  467.7011       45.55425 469.3567       
64.35838 466.0389       64.48868 47.24186 3.244884 47.07410 3.263041 0.1677589 
4.601816 
1 1 1 -8  -7  15 o 85.59034 1.945558  1538.249       69.12564 1553.792       
106.2559 1526.843       91.01988 85.95465 2.944454 85.22603 2.543812 0.7286224 
3.891117 
1 1 1 -8  -7  16 o 97.76759 1.830462  2001.981       73.79418 1968.848       
95.37881 2051.393       116.4759 96.77850 2.347438 98.75669 2.809252 -1.978195 
3.660923 
1 1 1 -8  -7  17 o 164.7895 2.754061  5478.934       155.1717 5311.551       
173.3626 6153.307       347.9770 158.9217 2.598325 170.6573 4.856761 -11.73563 
5.508123 
1 1 1 -8  -7  18 o 70.54665 6.180162  1055.471       183.0439 1055.471       
183.0439 0.000000       0.000000 70.54665 6.180162 ?        ?        ? ? 
1 1 1 -8  -7  19 o 66.76897 2.834487  930.9548       78.93777 1018.805       
120.3019 864.5326       104.6062 69.49953 4.122983 64.03841 3.890793 5.461128 
5.668973 
1 1 1 -8  -7  20 o 43.36317 3.708496  399.0338       67.32992 387.9346       
98.10166 408.9180       92.57616 42.77532 5.462660 43.95102 5.017083 -1.175697 
7.416993 
1 1 1 -8  -7  21 o 121.3242 3.163622  3117.126       158.2102 3114.113       
248.4075 3119.181       205.2150 121.1753 4.882829 121.4730 4.023929 
-0.2977219     6.327245 
1 1 1 -8  -7  22 f 68.76384 2.974837  1020.019       83.75634 908.1273       
129.4777 1100.530       109.8309 65.37881 4.717144 72.14886 3.625904 -6.770050 
5.949675 
1 1 1 -8  -7  23 o 87.53241 2.835637  1569.720       99.30900 1808.036       
173.2187 1453.034       121.2069 92.19846 4.474991 82.86636 3.483936 9.332108 
5.671275 
1 1 1 -8  -7  24 o 118.4136 3.158204  2989.171       156.9192 2901.229       
217.5080 3084.624       226.6061 116.6094 4.442863 120.2179 4.489763 -3.608543 
6.316408 
1 1 1 -8  -7  25 o 36.67253 4.352665  296.1035       65.38422 333.0746       
95.92496 264.0211       89.35836 39.12913 5.839190 34.21593 6.456521 4.913197 
8.705331 
1 1 1 -8  -7  26 o 42.28263 3.888228  391.2652       68.83080 362.9441       
98.08486 418.7437       96.61471 40.69818 5.740478 43.86707 5.245969 -3.168884 
7.776456 
1 1 1 -8  -7  27 o 65.23067 2.893998  916.6390       79.20167 889.2191       
109.5655 946.6481       114.6216 64.22252 4.063568 66.23883 4.121687 -2.016312 
5.787995 
1 1 1 -8  -7  28 o 40.37778 4.345162  372.7157       71.52833 417.6728       
101.0570 327.5815       101.2559 43.30550 5.558334 37.45007 6.680319 5.855431 
8.690324 
1 1 1 -8  -7  29 o 75.24919 3.390142  1248.448       106.8991 1355.885       
156.1059 1153.581       146.6894 78.32491 4.747233 72.17348 4.841078 6.151436 
6.780285 
1 1 1 -8  -7  30 o 31.35282 6.517550  265.4830       90.59560 261.0457       
144.1892 268.3773       116.4524 30.66634 9.872912 32.03931 8.511135 -1.372967 
13.03510 
1 1 1 -8  -7  31 o 27.54912 6.644603  221.8796       93.01050 192.8185       
145.0949 242.1517       121.1841 25.92181 9.777120 29.17643 9.000607 -3.254620 
13.28921 
1 1 1 -8  -6  1  o 179.8462 3.063499  6788.875       231.1680 6585.739       
320.0944 7010.316       334.2037 177.0385 4.306571 182.6540 4.358160 -5.615524 
6.126998 
1 1 1 -8  -6  2  o 294.5100 4.290804  18213.41       514.1579 18361.20       
839.2621 18124.61       650.5288 295.3955 6.767289 293.6245 5.277101 1.771088 
8.581608 
1 1 1 -8  -6  3  o 121.8954 1.888778  2970.167       84.47668 3431.007       
172.2724 2824.271       96.93072 127.8108 3.210476 115.9800 1.990671 11.83080 
3.777556 
1 1 1 -8  -6  4  o 224.6368 2.548799  10597.18       240.3295 10303.55       
336.9910 10901.09       342.8390 221.4702 3.624299 227.8034 3.584686 -6.333145 
5.097599 
1 1 1 -8  -6  5  o 147.0952 2.117346  4649.961       122.4743 4232.787       
209.4660 4866.666       150.9697 141.9519 3.514742 152.2386 2.362035 -10.28667 
4.234692 
1 1 1 -8  -6  6  o 166.2543 2.581161  5811.379       150.4488 5797.937       
316.9906 5815.288       170.9270 166.0955 4.545794 166.4131 2.446495 
-0.3175964     5.162323 
1 1 1 -8  -6  7  o 277.5352 2.477631  15909.68       250.2384 15645.38       
287.9346 16725.48       505.8686 272.9527 2.512625 282.1178 4.270987 -9.165100 
4.955261 
1 1 1 -8  -6  8  f 332.8638 3.173961  23536.95       431.3457 22165.29       
685.1201 24437.70       555.1949 324.6904 5.025951 341.0371 3.877617 -16.34671 
6.347921 
1 1 1 -8  -6  9  o 273.4319 2.566859  15566.14       273.1509 15335.01       
328.2529 16086.54       492.5432 270.2058 2.893577 276.6579 4.240551 -6.452087 
5.133718 
1 1 1 -8  -6  10 o 330.3278 3.091403  22913.21       409.8096 22852.34       
509.2312 23025.09       690.3818 329.7756 3.678050 330.8799 4.969812 -1.104309 
6.182805 
1 1 1 -8  -6  11 o 202.2909 2.349784  8497.489       185.7444 8328.156       
223.7215 8873.184       333.2375 199.1196 2.676177 205.4622 3.863162 -6.342651 
4.699568 
1 1 1 -8  -6  12 o 83.35634 2.791917  1459.744       97.70575 1459.744       
97.70575 0.000000       0.000000 83.35634 2.791917 ?        ?        ? ? 
1 1 1 -8  -6  13 o 148.3161 2.708040  4638.260       168.0526 4450.792       
244.9503 4804.966       230.9882 145.4642 4.010910 151.1681 3.639576 -5.703827 
5.416079 
1 1 1 -8  -6  14 o 82.78799 1.925673  1440.100       66.91461 1428.084       
93.43761 1452.750       95.87244 82.43439 2.699818 83.14161 2.746607 
-0.7072220     3.851346 
1 1 1 -8  -6  15 o 292.7276 3.155570  17908.39       345.3648 17734.05       
404.0534 18381.17       665.3926 290.3527 3.314622 295.1026 5.370639 -4.749939 
6.311140 
1 1 1 -8  -6  16 o 68.28748 2.019522  979.9055       57.77559 968.5026       
78.96138 993.0450       84.76057 67.86402 2.771381 68.71092 2.938253 
-0.8469009     4.039044 
1 1 1 -8  -6  17 o 46.09256 3.669232  450.8468       70.73520 482.8682       
98.45773 416.6885       101.6899 47.80784 4.905370 44.37729 5.458058 3.430550 
7.338464 
1 1 1 -8  -6  18 o 32.37840 9.180190  231.1707       130.5331 0.000000       
0.000000 231.1707       130.5331 ?        ?        32.37840 9.180190 ? ? 
1 1 1 -8  -6  19 o 143.3644 3.408301  4324.080       201.9473 4440.792       
316.4847 4243.921       262.2836 144.9155 5.201865 141.8133 4.405298 3.102173 
6.816601 
1 1 1 -8  -6  20 o 37.65932 4.387425  301.8498       67.45059 355.5882       
101.3772 259.1652       90.35116 40.94483 5.897425 34.37382 6.497566 6.571011 
8.774850 
1 1 1 -8  -6  21 o 196.1871 4.973132  8239.167       404.0794 8178.302       
623.1926 8283.318       530.7770 195.2578 7.602125 197.1164 6.413725 -1.858643 
9.946264 
1 1 1 -8  -6  22 o 40.87388 4.483565  366.4696       73.81898 293.6245       
104.6973 438.4815       104.0969 36.37184 7.109925 45.37592 5.464284 -9.004086 
8.967131 
1 1 1 -8  -6  23 o 61.82764 3.057816  810.9466       79.35158 830.1502       
113.8324 792.7935       110.6744 62.53755 4.335569 61.11774 4.313212 1.419811 
6.115633 
1 1 1 -8  -6  24 o 66.68117 3.017366  937.6296       82.96756 988.8689       
131.6854 903.9012       106.8399 68.10606 4.605460 65.25627 3.899709 2.849785 
6.034732 
1 1 1 -8  -6  25 o 72.55551 2.925761  1120.911       88.62614 1140.723       
133.0062 1105.090       118.8565 73.07502 4.335350 72.03600 3.930018 1.039017 
5.851521 
1 1 1 -8  -6  26 o 63.49756 3.202301  861.5956       83.80921 895.8690       
132.7646 838.8901       108.0614 64.40761 4.909827 62.58751 4.112484 1.820095 
6.404602 
1 1 1 -8  -6  27 o 58.86808 3.051083  743.0407       74.65288 899.7736       
109.9356 608.9227       101.6955 64.68999 4.047830 53.04617 4.566346 11.64382 
6.102167 
1 1 1 -8  -6  28 o 72.79446 2.856446  1142.307       87.16058 1192.926       
127.7085 1098.171       119.2528 74.27144 4.095614 71.31747 3.982849 2.953964 
5.712893 
1 1 1 -8  -6  29 o 93.30290 2.757996  1853.098       105.9951 2062.007       
170.3100 1721.021       135.4177 97.30603 4.168899 89.29978 3.611986 8.006248 
5.515992 
1 1 1 -8  -6  30 o 30.29737 5.792054  232.5105       74.58514 226.5945       
96.80500 241.1522       117.0002 30.12943 7.638997 30.46531 8.708461 
-0.3358822     11.58411 
1 1 1 -8  -6  31 o 68.94228 4.265068  1118.386       119.6956 1078.671       
191.0114 1144.065       153.5922 66.97605 6.792989 70.90849 5.159315 -3.932442 
8.530136 
1 1 1 -8  -6  32 o 29.61675 6.677951  268.9944       94.44500 244.5317       
146.0840 286.5622       123.7967 27.89013 9.906904 31.34338 8.957309 -3.453249 
13.35590 
1 1 1 -8  -5  1  o 68.55451 2.158381  987.7261       62.07791 957.0842       
88.47456 1017.440       87.12386 67.50574 3.121754 69.60328 2.981457 -2.097534 
4.316762 
1 1 1 -8  -5  2  o 182.2708 2.945847  7015.071       207.1657 6891.934       
374.7071 7069.280       248.6193 181.0801 4.928810 183.4615 3.227831 -2.381409 
5.891695 
1 1 1 -8  -5  3  o 332.2812 3.495657  23183.65       438.6923 23260.43       
827.1551 23153.61       517.4658 332.5705 5.924126 331.9919 3.712575 0.5786743 
6.991314 
1 1 1 -8  -5  4  o 352.5904 3.190479  25429.74       392.8793 27386.29       
847.7904 24894.65       443.3597 360.8945 5.595376 344.2863 3.067309 16.60825 
6.380957 
1 1 1 -8  -5  5  o 157.7075 2.717650  5263.387       159.2199 5142.988       
306.2527 5307.984       186.3902 156.4327 4.663085 158.9823 2.792514 -2.549530 
5.435301 
1 1 1 -8  -5  6  o 183.7456 2.228474  7098.058       167.9024 7059.328       
267.5686 7123.215       215.6445 183.3208 3.476519 184.1704 2.788943 
-0.8496399     4.456948 
1 1 1 -8  -5  7  o 213.6692 2.354597  9600.826       210.9683 9272.857       
302.3426 9912.041       294.5196 210.1047 3.427557 217.2336 3.229299 -7.128891 
4.709195 
1 1 1 -8  -5  8  o 266.3972 3.199408  14959.79       356.2595 14376.01       
522.9528 15465.36       486.6570 261.5155 4.763061 271.2790 4.272950 -9.763550 
6.398816 
1 1 1 -8  -5  9  o 186.4171 2.290549  7289.613       177.6964 7376.039       
270.5171 7224.019       235.6722 187.3797 3.438691 185.4545 3.026858 1.925186 
4.581098 
1 1 1 -8  -5  10 o 471.6066 3.459338  46447.13       661.1395 45571.81       
828.8501 47978.24       1096.219 465.6386 4.239826 477.5745 5.467352 -11.93588 
6.918675 
1 1 1 -8  -5  11 o 138.5921 1.929084  4035.757       112.1138 4062.417       
155.1236 4006.602       162.2201 139.0736 2.656771 138.1106 2.797683 0.9629669 
3.858169 
1 1 1 -8  -5  12 o 102.2793 2.089157  2195.995       89.65533 2246.396       
129.5423 2149.658       124.2093 103.4040 2.983978 101.1547 2.924754 2.249298 
4.178315 
1 1 1 -8  -5  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -5  14 o 46.93498 2.403865  464.7603       47.20409 432.8029       
67.96381 494.5440       65.61162 45.36703 3.568276 48.50293 3.222062 -3.135891 
4.807731 
1 1 1 -8  -5  15 o 36.10161 2.883946  276.8776       42.75222 207.6611       
59.58812 350.3025       61.37292 31.39751 4.520490 40.80571 3.582424 -9.408192 
5.767893 
1 1 1 -8  -5  16 o 66.77602 2.666904  935.4380       73.54701 957.3681       
115.4708 920.4686       95.40157 67.41525 4.079765 66.13677 3.435845 1.278481 
5.333808 
1 1 1 -8  -5  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -5  18 o 73.59560 2.735548  1142.163       84.48209 1119.527       
120.5689 1163.997       118.4118 72.87324 3.940834 74.31796 3.795091 -1.444725 
5.471096 
1 1 1 -8  -5  19 o 57.55061 3.022754  689.0823       72.23557 762.1055       
112.6218 638.0444       94.15395 60.09256 4.463986 55.00865 4.076886 5.083904 
6.045509 
1 1 1 -8  -5  20 o 77.35805 2.748119  1261.309       88.23257 1263.032       
135.4230 1260.038       116.3066 77.37936 4.168583 77.33675 3.582116 
0.4261017E-01  5.496239 
1 1 1 -8  -5  21 o 209.3572 4.856063  9314.104       409.3563 9454.529       
685.3661 9236.224       510.3990 210.1281 7.768900 208.5863 5.828343 1.541840 
9.712127 
1 1 1 -8  -5  22 o 96.62157 2.962226  1964.410       119.3313 2057.583       
181.3529 1893.263       158.4719 98.59781 4.381051 94.64532 3.988174 3.952492 
5.924453 
1 1 1 -8  -5  23 o 175.2010 4.355052  6590.907       310.9422 6512.204       
502.2007 6639.836       395.9709 173.9142 6.878017 176.4878 5.344041 -2.573532 
8.710103 
1 1 1 -8  -5  24 o 54.80674 3.408198  652.4629       76.47671 573.5521       
117.6165 710.2623       100.6610 51.77277 5.411129 57.84072 4.145231 -6.067951 
6.816396 
1 1 1 -8  -5  25 o 124.2385 3.377573  3324.261       172.9691 3173.037       
267.9547 3432.289       226.4746 121.5584 5.250460 126.9187 4.250255 -5.360260 
6.755146 
1 1 1 -8  -5  26 o 45.75014 3.959239  458.8820       74.63591 424.9709       
114.4994 483.9366       98.41858 44.10171 6.183991 47.39856 4.945759 -3.296848 
7.918477 
1 1 1 -8  -5  27 o 37.84171 4.609517  310.7744       70.44878 377.2981       
114.6475 270.4176       89.29650 41.20220 6.627734 34.48121 6.408098 6.720993 
9.219033 
1 1 1 -8  -5  28 o 41.66970 4.480581  411.4854       71.95349 271.2224       
105.3335 534.1965       98.52281 33.80004 7.606763 49.53937 4.737044 -15.73933 
8.961163 
1 1 1 -8  -5  29 o 18.26675 5.343443  37.65342       67.16991 20.10764       
98.01469 53.19055       92.23383 17.64650 7.518198 18.88700 7.595147 -1.240496 
10.68689 
1 1 1 -8  -5  30 o 102.5626 3.000285  2303.230       127.4626 2293.868       
196.4218 2310.039       167.5256 102.0313 4.585403 103.0939 3.870518 -1.062683 
6.000569 
1 1 1 -8  -5  31 o 23.55502 5.828888  134.6018       71.21459 160.2581       
105.4799 113.1108       96.53834 25.08687 8.450876 22.02317 8.030346 3.063694 
11.65778 
1 1 1 -8  -5  32 o 32.33366 6.216065  319.9681       92.83109 190.4684       
158.6696 387.3645       114.4663 25.69053 10.08801 38.97678 7.265672 -13.28626 
12.43213 
1 1 1 -8  -4  1  o 133.7637 2.451946  3760.918       132.7028 3748.633       
218.9956 3768.047       166.8181 133.5798 3.904952 133.9476 2.966398 
-0.3677979     4.903893 
1 1 1 -8  -4  2  o 96.95927 2.197928  1972.626       88.89699 1990.341       
133.7805 1958.619       118.9593 97.34606 3.273373 96.57249 2.934039 0.7735748 
4.395857 
1 1 1 -8  -4  3  o 481.9820 5.232576  48752.85       859.0695 49165.95       
1887.665 48644.94       964.7674 482.8640 9.311531 481.0999 4.776485 1.764038 
10.46515 
1 1 1 -8  -4  4  o 360.2295 3.010574  27135.63       446.4434 26620.98       
574.6689 27919.05       709.0225 355.9738 3.845216 364.4851 4.633416 -8.511322 
6.021148 
1 1 1 -8  -4  5  o 217.2229 2.500821  10035.75       204.1055 9632.729       
383.7845 10194.69       241.0157 214.1107 4.269433 220.3351 2.605450 -6.224426 
5.001643 
1 1 1 -8  -4  6  o 197.2902 1.891335  8175.906       156.4982 8219.871       
216.7977 8128.069       226.1417 197.8460 2.610049 196.7344 2.737925 1.111603 
3.782669 
1 1 1 -8  -4  7  o 57.74037 1.735148  697.8363       41.96673 635.6832       
57.70711 767.6076       61.14153 55.01988 2.498220 60.46085 2.408702 -5.440971 
3.470295 
1 1 1 -8  -4  8  o 99.78289 1.540319  2089.380       64.43946 2114.099       
93.85627 2067.337       88.63042 100.3402 2.227970 99.22556 2.127553 1.114670 
3.080638 
1 1 1 -8  -4  9  o 239.8378 2.448840  12003.46       235.6118 11816.34       
291.7244 12354.52       399.5726 237.1928 2.929492 242.4829 3.924964 -5.290115 
4.897680 
1 1 1 -8  -4  10 o 241.3233 2.286327  12182.07       228.3628 11937.11       
297.4815 12533.55       356.3354 238.3949 2.972241 244.2516 3.474902 -5.856705 
4.572654 
1 1 1 -8  -4  11 o 127.0314 1.768884  3304.069       89.55418 3655.159       
156.4507 3132.971       109.2169 131.9165 2.824876 122.1462 2.129761 9.770287 
3.537768 
1 1 1 -8  -4  12 o 283.8731 3.261960  17080.54       380.5786 16260.11       
595.1565 17648.11       495.0135 278.0028 5.099212 289.7435 4.069345 -11.74066 
6.523920 
1 1 1 -8  -4  13 o 155.0686 2.323500  5096.676       147.7563 4841.258       
232.4274 5269.901       191.4119 151.7602 3.647963 158.3770 2.878711 -6.616745 
4.647000 
1 1 1 -8  -4  14 o 75.60091 2.603319  1200.797       82.62917 0.000000       
0.000000 1200.797       82.62917 ?        ?        75.60091 2.603319 ? ? 
1 1 1 -8  -4  15 o 24.52533 7.139432  129.6635       77.93929 129.6635       
77.93929 0.000000       0.000000 24.52533 7.139432 ?        ?        ? ? 
1 1 1 -8  -4  16 o 101.0568 5.997102  2158.448       254.4404 2158.448       
254.4404 0.000000       0.000000 101.0568 5.997102 ?        ?        ? ? 
1 1 1 -8  -4  17 o 57.86155 2.963953  697.9329       70.36417 741.2690       
113.6014 670.9579       89.62684 59.28101 4.564457 56.44209 3.782300 2.838913 
5.927906 
1 1 1 -8  -4  18 o 99.08333 3.020477  2060.536       125.1604 2184.862       
187.2186 1960.070       168.2966 101.7595 4.382231 96.40717 4.158024 5.352303 
6.040953 
1 1 1 -8  -4  19 o 120.2399 3.130606  3051.610       158.0095 3100.000       
222.7563 3002.604       224.1687 121.2066 4.377486 119.2732 4.476651 1.933434 
6.261213 
1 1 1 -8  -4  20 o 186.3624 4.149766  7368.873       323.7961 7211.147       
472.8042 7508.188       444.3528 184.4101 6.106856 188.3147 5.620368 -3.904556 
8.299532 
1 1 1 -8  -4  21 o 118.1833 3.101410  2959.315       151.4399 2888.939       
234.5798 3009.605       198.2993 116.9105 4.779233 119.4562 3.953974 -2.545647 
6.202820 
1 1 1 -8  -4  22 o 100.4805 2.955292  2144.356       123.5548 2043.854       
185.0605 2225.185       165.9615 98.29502 4.484388 102.6661 3.850361 -4.371048 
5.910585 
1 1 1 -8  -4  23 o 33.01565 5.256966  243.1891       71.19618 271.1384       
103.2538 217.8563       98.30186 34.86273 7.290675 31.16857 7.575542 3.694155 
10.51393 
1 1 1 -8  -4  24 o 62.44899 3.232136  830.4736       83.57785 819.5779       
128.8326 838.3914       109.8239 62.02805 4.947191 62.86993 4.160783 
-0.8418732     6.464272 
1 1 1 -8  -4  25 o 48.59566 3.765265  507.2875       76.52995 492.1953       
112.1858 520.4239       104.6646 47.86830 5.582271 49.32302 5.054419 -1.454723 
7.530530 
1 1 1 -8  -4  26 o 71.24236 2.939475  1064.599       87.07237 1221.500       
135.0684 953.0271       113.8983 75.62993 4.253839 66.85479 4.057943 8.775139 
5.878950 
1 1 1 -8  -4  27 o 64.27065 3.186795  886.6655       84.55737 898.6793       
132.4709 878.4050       109.8461 64.49936 4.891998 64.04192 4.085464 0.4574356 
6.373591 
1 1 1 -8  -4  28 o 27.47095 4.990100  144.5962       70.82492 341.2147       
107.6512 -5.461693      94.04507 38.47183 6.916615 16.47008 7.194778 22.00175 
9.980200 
1 1 1 -8  -4  29 o 26.09628 5.128144  153.0000       68.04982 29.27789       
96.94595 273.1679       95.54333 18.07391 7.577978 34.11865 6.911274 -16.04473 
10.25629 
1 1 1 -8  -4  30 o 24.64609 5.682405  145.5801       67.70797 128.3559       
94.19810 163.9908       97.38865 23.41041 7.986159 25.88178 8.085801 -2.471369 
11.36481 
1 1 1 -8  -4  31 o 26.21014 5.698293  173.1513       69.30977 149.7770       
98.51590 196.0598       97.52917 24.57994 8.167141 27.84034 7.948584 -3.260397 
11.39659 
1 1 1 -8  -4  32 o 33.75092 5.108470  297.0754       71.64924 199.2320       
107.2887 375.8382       96.26064 27.25471 8.481259 40.24714 5.696851 -12.99243 
10.21694 
1 1 1 -8  -4  33 o 18.93888 5.919364  31.10087       97.44402 -89.53872      
162.2909 99.11209       121.8540 17.01690 8.131784 20.86086 8.604043 -3.843958 
11.83873 
1 1 1 -8  -3  1  o 99.64843 2.287624  2049.260       92.18626 2218.007       
155.1766 1957.224       114.6010 102.7571 3.596958 96.53974 2.827504 6.217377 
4.575247 
1 1 1 -8  -3  2  o 23.59134 4.131012  121.6775       40.53039 122.3052       
54.19840 120.8811       61.04832 23.64574 5.548951 23.53693 6.121290 0.1088066 
8.262025 
1 1 1 -8  -3  3  o 29.61608 3.509384  240.6836       35.23241 91.42473       
63.09925 308.2987       42.46939 20.91595 6.503318 38.31621 2.640065 -17.40026 
7.018767 
1 1 1 -8  -3  4  o 146.3521 2.474152  4544.858       132.0181 4406.708       
260.8567 4592.427       153.0684 144.8181 4.290424 147.8861 2.465354 -3.068024 
4.948304 
1 1 1 -8  -3  5  o 226.4959 3.713089  10869.95       330.4937 10540.01       
575.9011 11031.96       403.5603 223.8529 6.127822 229.1389 4.194988 -5.285919 
7.426179 
1 1 1 -8  -3  6  o 274.6941 2.646603  15831.32       305.0200 15264.99       
422.2166 16449.54       441.1316 269.5630 3.730750 279.8252 3.754935 -10.26221 
5.293206 
1 1 1 -8  -3  7  o 483.5936 5.608585  49251.25       1138.563 48243.96       
1596.822 50292.96       1623.860 478.5618 7.947667 488.6255 7.915776 -10.06375 
11.21717 
1 1 1 -8  -3  8  o 150.9241 1.733570  4782.391       109.0256 4789.547       
164.5985 4776.797       145.5276 151.0215 2.596021 150.8266 2.298203 0.1948395 
3.467140 
1 1 1 -8  -3  9  o 170.1875 1.975055  5879.413       122.8541 5681.712       
141.1323 6497.815       249.6081 164.4979 2.043559 175.8771 3.380418 -11.37921 
3.950109 
1 1 1 -8  -3  10 o 118.8204 1.878224  2974.574       93.19059 2862.125       
137.6488 3069.731       126.6233 116.7373 2.808562 120.9035 2.494570 -4.166176 
3.756448 
1 1 1 -8  -3  11 o 329.6774 2.879519  22836.74       378.7117 22859.47       
645.5950 22824.82       467.6202 329.7422 4.663444 329.6125 3.379174 0.1296387 
5.759038 
1 1 1 -8  -3  12 o 534.8267 6.702228  60525.97       1503.315 59367.11       
2163.832 61607.21       2090.101 529.7711 9.728733 539.8824 9.221236 -10.11133 
13.40446 
1 1 1 -8  -3  13 o 193.1554 2.753579  7818.496       222.3824 7587.340       
299.3596 8103.132       332.1884 189.9897 3.753050 196.3212 4.030310 -6.331528 
5.507157 
1 1 1 -8  -3  14 o 112.2266 1.828639  2651.184       85.97446 2537.280       
123.9549 2756.779       119.3484 109.8957 2.686606 114.5576 2.481499 -4.661858 
3.657279 
1 1 1 -8  -3  15 o 95.44513 2.686540  1935.420       104.3945 1834.204       
167.3438 1999.906       133.5723 93.35631 4.269597 97.53396 3.261982 -4.177650 
5.373080 
1 1 1 -8  -3  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -3  17 o 113.0506 3.107239  2702.275       146.1615 2627.930       
220.3113 2760.722       195.3413 111.6238 4.701116 114.4774 4.064389 -2.853615 
6.214478 
1 1 1 -8  -3  18 o 29.18732 4.885310  188.3399       59.00325 177.3202       
83.72046 199.2148       83.16868 28.32975 7.056972 30.04488 6.757526 -1.715128 
9.770619 
1 1 1 -8  -3  19 o 88.10948 2.803604  1645.959       102.2091 1578.724       
156.7613 1695.677       134.8023 86.50030 4.316605 89.71867 3.578785 -3.218369 
5.607208 
1 1 1 -8  -3  20 o 21.94415 4.922009  61.95939       61.83150 193.9476       
92.06409 -46.49644      83.45440 29.60066 7.416523 14.28764 6.473012 15.31302 
9.844018 
1 1 1 -8  -3  21 o 42.00782 4.146717  368.6049       72.59666 426.8117       
110.7777 324.7900       96.11161 44.87102 5.880409 39.14463 5.848234 5.726387 
8.293434 
1 1 1 -8  -3  22 o 55.12628 3.442349  625.3649       78.56042 776.0448       
123.4013 522.6768       101.8713 60.55706 4.853735 49.69550 4.882654 10.86156 
6.884697 
1 1 1 -8  -3  23 o 19.19107 5.367605  33.77158       64.61520 85.87321       
100.9834 -2.347960      84.08053 22.22131 8.201591 16.16083 6.926661 6.060474 
10.73521 
1 1 1 -8  -3  24 o 91.75935 2.964421  1790.719       113.7385 1700.543       
165.8015 1870.874       156.3182 89.52238 4.411415 93.99633 3.961135 -4.473953 
5.928842 
1 1 1 -8  -3  25 o 99.40125 2.758831  2093.202       113.9200 2112.415       
174.5240 2078.938       150.3742 99.72602 4.168384 99.07646 3.615131 0.6495590 
5.517663 
1 1 1 -8  -3  26 o 44.73360 3.909257  430.4002       71.73431 434.7945       
114.4547 427.5573       92.05892 44.79947 6.085300 44.66773 4.909000 0.1317329 
7.818514 
1 1 1 -8  -3  27 o 77.07156 3.086683  1289.826       98.42078 1139.378       
146.3979 1413.901       132.9481 72.75288 4.792981 81.39024 3.890729 -8.637352 
6.173366 
1 1 1 -8  -3  28 o 52.03397 3.852291  596.5076       82.89452 558.8652       
126.0870 625.1634       110.0115 50.37336 5.961977 53.69457 4.880102 -3.321209 
7.704581 
1 1 1 -8  -3  29 o 60.30321 3.432522  776.5148       85.72884 902.5042       
135.5248 692.4713       110.6888 64.20723 5.027543 56.39918 4.674679 7.808048 
6.865043 
1 1 1 -8  -3  30 f 21.84421 5.785183  93.17732       70.50533 130.1439       
113.1231 69.69596       90.15878 24.03115 8.699636 19.65727 7.628218 4.373882 
11.57037 
1 1 1 -8  -3  31 o 42.78299 4.120305  418.0088       73.15345 398.5042       
110.2539 433.3483       97.77568 41.60405 6.312181 43.96194 5.297550 -2.357895 
8.240610 
1 1 1 -8  -3  32 o 63.89430 3.339551  913.2507       89.42104 918.3853       
123.1264 907.5196       130.0809 64.21131 4.567312 63.57730 4.873405 0.6340141 
6.679103 
1 1 1 -8  -3  33 o 80.60497 3.129793  1456.226       104.9906 1554.116       
161.2212 1384.141       138.3480 82.64806 4.646335 78.56187 4.194519 4.086182 
6.259585 
1 1 1 -8  -2  1  o 196.6829 2.937829  8128.067       242.5415 8145.621       
339.8403 8109.843       346.2608 196.9012 4.111002 196.4646 4.197978 0.4365692 
5.875658 
1 1 1 -8  -2  2  o 233.1558 3.316225  11238.39       272.0296 11766.72       
577.0758 11087.44       308.4505 236.5506 5.810719 229.7610 3.197645 6.789597 
6.632450 
1 1 1 -8  -2  3  o 75.94633 1.971272  1151.177       57.18980 1356.168       
109.6421 1074.560       67.03075 80.35502 3.250015 71.53764 2.231827 8.817375 
3.942544 
1 1 1 -8  -2  4  o 313.4632 2.635728  20432.65       317.3364 21156.92       
586.1082 20132.28       377.4463 317.3084 4.399642 309.6179 2.903689 7.690521 
5.271457 
1 1 1 -8  -2  5  o 461.2016 4.915604  44779.12       938.6260 44680.39       
1452.382 44849.93       1229.998 460.6667 7.509573 461.7365 6.344994 -1.069794 
9.831207 
1 1 1 -8  -2  6  o 125.2436 1.683602  3288.995       87.35767 3264.745       
114.4043 3322.909       135.2905 124.6937 2.185340 125.7935 2.561710 -1.099815 
3.367205 
1 1 1 -8  -2  7  o 295.9334 3.859251  18393.96       478.8341 18053.13       
657.7190 18778.32       698.4637 293.0295 5.346261 298.8372 5.567115 -5.807739 
7.718502 
1 1 1 -8  -2  8  o 97.12462 1.639729  1931.569       65.81954 1716.370       
84.47044 2264.167       105.0134 90.41074 2.225388 103.8385 2.408837 -13.42775 
3.279459 
1 1 1 -8  -2  9  f 232.3674 1.871715  11266.95       175.5829 11081.75       
219.0890 11599.49       293.5688 229.7277 2.271581 235.0072 2.975431 -5.279495 
3.743431 
1 1 1 -8  -2  10 o 65.25583 1.859167  894.3416       50.92647 873.8627       
71.91401 914.9424       72.12829 64.50616 2.655421 66.00551 2.602834 -1.499352 
3.718334 
1 1 1 -8  -2  11 o 319.9907 3.419142  21419.48       428.4920 21228.56       
518.4794 21830.86       761.0530 317.8429 3.885439 322.1386 5.627211 -4.295746 
6.838285 
1 1 1 -8  -2  12 o 203.8819 2.491104  8771.469       212.1179 8286.676       
310.9686 9193.320       290.0797 198.5791 3.729958 209.1846 3.303000 -10.60547 
4.982208 
1 1 1 -8  -2  13 o 196.2306 2.259863  8071.747       185.9505 7698.748       
255.4604 8492.098       271.1914 191.4210 3.178740 201.0402 3.213025 -9.619141 
4.519725 
1 1 1 -8  -2  14 o 123.7492 2.442850  3149.579       120.1541 3430.729       
210.4317 3013.575       146.3583 127.7359 3.923913 119.7625 2.910837 7.973419 
4.885700 
1 1 1 -8  -2  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  -2  16 o 306.0497 6.397209  19932.99       820.7717 19672.87       
1188.889 20169.87       1134.512 304.0216 9.314464 308.0777 8.771424 -4.056061 
12.79442 
1 1 1 -8  -2  17 o 107.1869 4.049916  2419.607       182.2497 0.000000       
0.000000 2419.607       182.2497 ?        ?        107.1869 4.049916 ? ? 
1 1 1 -8  -2  18 o 120.5770 2.952508  3061.342       149.1268 3016.028       
203.5056 3113.894       219.1574 119.6291 4.051919 121.5249 4.295481 -1.895821 
5.905015 
1 1 1 -8  -2  19 o 145.7278 3.719932  4492.151       226.1585 4485.291       
339.2047 4497.641       303.4471 145.5660 5.550382 145.8895 4.954275 
-0.3234406     7.439864 
1 1 1 -8  -2  20 o 77.15364 2.829953  1242.253       90.46541 1331.183       
141.7031 1181.071       117.5345 79.43964 4.248769 74.86765 3.739317 4.571983 
5.659906 
1 1 1 -8  -2  21 o 185.7259 4.658177  7290.710       351.2534 7471.699       
578.2698 7184.890       442.1731 187.2730 7.354893 184.1787 5.718392 3.094284 
9.316355 
1 1 1 -8  -2  22 o 51.70747 3.313165  564.8198       71.39506 567.5146       
107.8006 562.7142       95.28881 51.79619 4.957290 51.61876 4.396989 0.1774330 
6.626329 
1 1 1 -8  -2  23 o 94.97580 2.999429  1906.078       116.9952 1913.370       
185.9593 1901.301       150.5170 95.05507 4.659760 94.89654 3.777952 0.1585312 
5.998857 
1 1 1 -8  -2  24 o 129.5897 2.959972  3532.043       157.7607 3680.158       
251.8414 3436.382       202.3926 131.7032 4.554618 127.4763 3.781693 4.226891 
5.919945 
1 1 1 -8  -2  25 o 80.76310 3.038711  1380.173       102.8446 1472.862       
151.0471 1300.065       140.4218 83.27702 4.320244 78.24918 4.274406 5.027847 
6.077422 
1 1 1 -8  -2  26 o 156.0837 3.232189  5159.242       206.9340 5378.735       
332.8540 5020.960       264.1962 158.5206 5.001372 153.6467 4.095664 4.873901 
6.464378 
1 1 1 -8  -2  27 o 36.46167 4.938283  298.2562       73.25086 293.2967       
111.9791 301.9658       96.84567 35.70980 7.689131 37.21354 6.198695 -1.503738 
9.876566 
1 1 1 -8  -2  28 o 56.16909 3.463448  679.5422       79.72400 696.3648       
127.9587 668.8685       101.9246 56.55957 5.388710 55.77862 4.352434 0.7809525 
6.926895 
1 1 1 -8  -2  29 o 33.64629 4.955891  264.7556       67.67799 237.5078       
106.0667 283.4672       87.89597 31.49757 8.002177 35.79502 5.848809 -4.297455 
9.911781 
1 1 1 -8  -2  30 o 35.32561 4.982482  284.5804       70.29051 358.1511       
112.2383 237.1062       90.16073 39.00458 7.118111 31.64664 6.973738 7.357941 
9.964965 
1 1 1 -8  -2  31 o 22.04455 5.752117  105.9027       70.55833 95.85997       
103.9147 114.4936       96.11073 21.60667 8.237443 22.48243 8.030687 
-0.8757648     11.50423 
1 1 1 -8  -2  32 o 20.08517 5.579505  71.28838       71.05398 118.7792       
101.0362 24.81902       99.94371 22.55496 8.216167 17.61537 7.551032 4.939592 
11.15901 
1 1 1 -8  -2  33 o 33.00731 5.049891  308.2390       75.46710 105.1184       
116.5588 454.8463       99.02523 21.58471 8.592022 44.42991 5.308741 -22.84519 
10.09978 
1 1 1 -8  -2  34 o 59.02654 4.289813  855.1201       104.3427 715.1602       
150.9237 983.2720       144.4169 53.41932 6.729460 64.63375 5.322061 -11.21444 
8.579625 
1 1 1 -8  -1  1  o 149.3318 2.083522  4654.582       128.9221 4855.973       
200.9396 4513.677       168.0770 152.0557 3.147633 146.6078 2.730688 5.447830 
4.167043 
1 1 1 -8  -1  2  o 289.2116 4.332729  17810.02       471.8888 17096.93       
883.8342 18094.34       558.0912 284.9851 7.387026 293.4380 4.530121 -8.452881 
8.665458 
1 1 1 -8  -1  3  o 549.9756 5.720082  64260.93       1149.923 62585.76       
2264.748 64842.83       1334.784 544.6395 9.904482 555.3118 5.725258 -10.67236 
11.44016 
1 1 1 -8  -1  4  o 246.9380 2.673829  12844.83       262.9162 12699.66       
448.5492 12920.81       324.5062 245.8426 4.345843 248.0334 3.116261 -2.190781 
5.347657 
1 1 1 -8  -1  5  o 98.70451 1.767853  2044.222       72.99595 2064.234       
108.1512 2027.478       98.92798 99.14655 2.598214 98.26247 2.398019 0.8840790 
3.535705 
1 1 1 -8  -1  6  o 420.4266 4.236919  37112.54       747.2106 35299.63       
1033.133 39100.96       1081.989 409.6773 6.006695 431.1760 5.977085 -21.49875 
8.473838 
1 1 1 -8  -1  7  f 233.5850 2.334202  11465.69       225.8458 11427.33       
348.8152 11493.38       296.3487 233.2371 3.562205 233.9329 3.017399 
-0.6958618     4.668404 
1 1 1 -8  -1  8  o 334.2893 3.450362  23488.13       481.1941 23477.17       
645.2499 23501.87       722.2667 334.2264 4.598416 334.3522 5.145345 
-0.1257935     6.900725 
1 1 1 -8  -1  9  o 201.7537 2.037813  8553.782       171.6192 8596.545       
230.9807 8501.081       256.4204 202.3223 2.719274 201.1851 3.035833 1.137238 
4.075627 
1 1 1 -8  -1  10 o 161.8922 2.335855  5505.099       158.7127 5519.073       
227.4824 5491.846       221.5429 162.0910 3.342797 161.6933 3.263524 0.3977051 
4.671710 
1 1 1 -8  -1  11 o 175.4456 2.092444  6484.140       152.1070 6344.951       
233.5454 6586.675       200.4509 173.7971 3.200737 177.0941 2.696031 -3.297073 
4.184889 
1 1 1 -8  -1  12 o 429.2965 3.528771  38593.32       631.2350 37480.38       
837.4588 40057.47       960.5492 422.2013 4.724599 436.3918 5.242810 -14.19046 
7.057542 
1 1 1 -8  -1  13 o 287.3575 4.791362  17286.64       550.0786 17773.93       
940.6641 17033.41       678.1095 290.2482 7.719446 284.4669 5.677918 5.781281 
9.582725 
1 1 1 -8  -1  14 o 91.36661 2.726137  1772.422       101.3096 1681.978       
162.8665 1829.506       129.3890 89.42834 4.337880 93.30488 3.303043 -3.876534 
5.452274 
1 1 1 -8  -1  15 o 125.1509 3.198617  3296.756       121.1466 3295.077       
309.0007 3297.062       131.6897 125.0242 5.886899 125.2776 2.503799 
-0.2534103     6.397233 
1 1 1 -8  -1  16 o 119.2075 2.019990  2938.914       97.74065 3169.694       
162.9208 2809.150       122.1675 122.7888 3.160377 115.6263 2.516635 7.162506 
4.039979 
1 1 1 -8  -1  17 o 247.9118 3.032965  12987.16       286.1308 12846.82       
530.7078 13044.68       339.7380 246.7847 5.122221 249.0388 3.249363 -2.254105 
6.065929 
1 1 1 -8  -1  18 o 165.6140 3.410463  5767.578       232.3788 5889.734       
368.9921 5687.286       299.1548 166.9791 5.263516 164.2489 4.338251 2.730240 
6.820925 
1 1 1 -8  -1  19 o 211.5152 6.556236  9498.138       582.2039 9498.138       
582.2039 0.000000       0.000000 211.5152 6.556236 ?        ?        ? ? 
1 1 1 -8  -1  20 o 131.8197 3.132117  3653.936       173.0236 3406.340       
236.7650 3937.709       253.4732 127.0431 4.439025 136.5963 4.419919 -9.553207 
6.264234 
1 1 1 -8  -1  21 o 70.03450 2.886625  1036.670       84.63584 953.6478       
120.2735 1118.108       119.1211 67.23632 4.260761 72.83269 3.895682 -5.596367 
5.773250 
1 1 1 -8  -1  22 o 70.46806 3.049689  1055.509       88.88982 1001.626       
136.0346 1095.658       117.4266 68.85075 4.706106 72.08537 3.880076 -3.234619 
6.099379 
1 1 1 -8  -1  23 o 86.14918 2.763304  1552.050       98.77545 1660.118       
153.8235 1476.224       128.8501 88.64813 4.133084 83.65022 3.668926 4.997910 
5.526608 
1 1 1 -8  -1  24 o 178.2144 4.436996  6735.056       315.8203 6980.654       
540.7308 6607.898       389.0806 180.1686 7.148635 176.2603 5.257826 3.908310 
8.873992 
1 1 1 -8  -1  25 o 66.33479 3.228496  929.0109       88.53940 968.8400       
139.0346 901.8405       114.8347 67.46052 4.909016 65.20907 4.194557 2.251450 
6.456992 
1 1 1 -8  -1  26 o 46.09296 3.798489  448.7153       72.86199 506.2449       
112.5201 407.1728       95.61613 48.57411 5.517553 43.61182 5.222134 4.962292 
7.596978 
1 1 1 -8  -1  27 o 24.90228 5.823008  133.6083       69.87969 138.6339       
110.0568 130.2137       90.45214 25.44899 8.632277 24.35557 7.817512 1.093424 
11.64602 
1 1 1 -8  -1  28 o 21.24046 5.623020  81.27977       70.16358 9.640160       
118.8955 119.5592       86.91039 19.15197 8.223684 23.32894 7.671013 -4.176966 
11.24604 
1 1 1 -8  -1  29 o 76.70934 3.102536  1253.062       98.08121 1358.256       
156.6911 1185.292       125.7675 79.15755 4.714907 74.26112 4.033927 4.896431 
6.205072 
1 1 1 -8  -1  30 o 36.43011 5.159809  304.6550       75.30250 376.2571       
118.5439 256.2169       97.50116 39.98293 7.335792 32.87728 7.258143 7.105652 
10.31962 
1 1 1 -8  -1  31 o 46.15072 4.064546  468.4487       76.51670 522.8860       
126.3829 436.9478       96.13927 47.92548 6.281204 44.37596 5.160290 3.549522 
8.129091 
1 1 1 -8  -1  32 o 29.09317 5.632221  189.7930       74.59093 344.9193       
121.4214 95.76749       94.53122 37.09014 8.024518 21.09620 7.905364 15.99394 
11.26444 
1 1 1 -8  -1  33 o 56.97526 3.782314  735.4711       89.98280 676.0909       
119.8617 812.1542       136.2100 54.45737 5.242577 59.49315 5.453345 -5.035782 
7.564628 
1 1 1 -8  -1  34 o 28.44313 6.590128  242.8479       91.40845 274.6736       
130.6368 212.3192       127.9472 30.23180 9.348878 26.65445 9.290730 3.577356 
13.18026 
1 1 1 -8  0   1  o 387.3732 3.990140  30853.82       554.3024 32899.51       
1148.849 30233.10       632.8344 395.3968 6.920716 379.3497 3.973484 16.04715 
7.980281 
1 1 1 -8  0   2  o 175.1252 2.952110  6307.410       160.0876 6647.265       
402.3681 6243.495       174.4930 177.8158 5.389820 172.4345 2.410321 5.381363 
5.904220 
1 1 1 -8  0   3  o 58.65889 2.130125  743.5020       50.20654 643.1440       
80.74821 806.7516       64.10416 55.33415 3.475847 61.98362 2.463374 -6.649471 
4.260249 
1 1 1 -8  0   4  o 152.3318 2.103768  4919.405       131.8966 4623.750       
204.6235 5129.563       172.5188 148.3714 3.284932 156.2922 2.629179 -7.920776 
4.207536 
1 1 1 -8  0   5  o 407.0345 2.584884  34807.47       441.6645 34437.85       
627.5602 35170.22       621.6969 404.8903 3.691808 409.1787 3.618984 -4.288391 
5.169767 
1 1 1 -8  0   6  o 368.6839 2.941392  28393.57       446.3239 27745.59       
573.7753 29386.40       710.2290 363.4197 3.760577 373.9482 4.523849 -10.52847 
5.882784 
1 1 1 -8  0   7  o 277.1798 2.155822  16153.39       250.5996 15540.72       
357.9822 16742.15       350.9258 272.0163 3.134639 282.3433 2.960458 -10.32697 
4.311644 
1 1 1 -8  0   8  o 125.6288 1.808993  3308.998       95.24181 3397.859       
139.6387 3231.700       130.2368 127.2024 2.614759 124.0553 2.500573 3.147125 
3.617987 
1 1 1 -8  0   9  o 476.1025 3.930360  47745.16       747.7214 47415.46       
1267.652 47921.07       925.9540 474.7083 6.360546 477.4967 4.618916 -2.788391 
7.860721 
1 1 1 -8  0   10 o 110.2307 1.691814  2553.403       78.16748 2375.058       
110.1427 2734.380       110.9528 106.3486 2.466861 114.1127 2.315931 -7.764015 
3.383628 
1 1 1 -8  0   11 o 352.9743 2.692206  25683.77       379.6878 24637.61       
465.3758 27766.54       656.6378 342.4734 3.236667 363.4753 4.303007 -21.00192 
5.384411 
1 1 1 -8  0   12 o 174.4697 1.994330  6421.755       145.1378 6107.553       
214.7576 6685.912       196.9130 170.5175 2.999857 178.4219 2.628738 -7.904419 
3.988660 
1 1 1 -8  0   13 o 145.8149 2.162054  4385.621       124.9951 4710.459       
219.3813 4229.481       152.0974 149.7233 3.490046 141.9066 2.552938 7.816727 
4.324109 
1 1 1 -8  0   14 o 50.36215 4.558065  533.4903       96.37486 0.000000       
0.000000 533.4903       96.37486 ?        ?        50.36215 4.558065 ? ? 
1 1 1 -8  0   15 o 92.37616 2.039422  1807.342       77.60100 1714.546       
120.4215 1873.243       101.4818 90.32272 3.175617 94.42960 2.559771 -4.106880 
4.078844 
1 1 1 -8  0   16 o 150.6312 2.369421  4724.098       142.7646 4922.235       
244.3140 4621.360       175.9263 152.9716 3.804159 148.2908 2.825775 4.680756 
4.738843 
1 1 1 -8  0   17 o 109.0358 2.294418  2530.219       102.6644 2346.713       
159.9868 2658.685       133.8605 105.6107 3.608255 112.4609 2.835122 -6.850235 
4.588837 
1 1 1 -8  0   18 o 124.0408 2.246604  3237.744       113.6029 3233.111       
184.0807 3240.595       144.3757 123.9368 3.537765 124.1448 2.770042 
-0.2080688     4.493208 
1 1 1 -8  0   19 o 169.4770 3.678272  6053.885       257.3960 6164.926       
403.8564 5977.921       334.0297 170.6810 5.635893 168.2730 4.728155 2.408005 
7.356544 
1 1 1 -8  0   20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  0   21 o 207.7670 4.624412  9119.908       401.3864 8730.834       
537.1187 9611.990       604.0503 202.8566 6.306700 212.6774 6.765077 -9.820862 
9.248823 
1 1 1 -8  0   22 o 36.12956 4.819213  296.5503       69.19910 218.9877       
106.6037 353.0315       90.96983 31.41319 8.047253 40.84592 5.304809 -9.432734 
9.638427 
1 1 1 -8  0   23 o 82.97730 2.826927  1435.700       97.81995 1610.987       
149.2533 1303.712       129.5138 87.35517 4.069642 78.59943 3.924803 8.755737 
5.653854 
1 1 1 -8  0   24 o 183.7617 4.626445  7204.800       351.9974 7334.891       
546.8853 7112.791       459.9300 184.9011 7.044947 182.6223 5.998725 2.278824 
9.252891 
1 1 1 -8  0   25 o 52.79612 3.583943  590.1199       79.20929 641.1328       
117.5216 547.6558       107.2231 54.87022 5.101551 50.72202 5.035155 4.148201 
7.167887 
1 1 1 -8  0   26 o 124.6568 3.463114  3282.586       175.8684 3448.655       
288.6360 3184.526       221.7946 126.9169 5.416918 122.3968 4.316204 4.520035 
6.926227 
1 1 1 -8  0   27 o 63.34110 3.382679  852.1228       89.08440 905.1860       
137.3926 813.6325       117.0153 64.96285 5.037549 61.71936 4.515879 3.243496 
6.765357 
1 1 1 -8  0   28 o 87.38371 2.998347  1648.104       108.9758 1497.973       
160.4560 1776.644       148.4709 83.51973 4.576020 91.24770 3.875613 -7.727974 
5.996694 
1 1 1 -8  0   29 o 108.3172 3.257917  2547.702       144.9331 2467.666       
227.8014 2602.131       187.8580 106.5400 5.092896 110.0945 4.064296 -3.554459 
6.515833 
1 1 1 -8  0   30 o 65.86356 3.447076  959.3618       93.57111 865.3795       
141.9991 1031.491       124.3996 62.69010 5.395204 69.03701 4.291983 -6.346912 
6.894152 
1 1 1 -8  0   31 o 30.60177 5.769466  229.4770       75.20934 248.6153       
112.4838 214.0036       101.1421 31.66384 8.343616 29.53971 7.970636 2.124136 
11.53893 
1 1 1 -8  0   32 f 26.34730 6.309552  166.4290       81.02242 214.7521       
133.4120 138.1915       101.9836 28.69750 9.504172 23.99711 8.301354 4.700390 
12.61910 
1 1 1 -8  0   33 o 48.09806 4.480443  520.1589       88.21850 713.7783       
139.9537 392.5095       113.6370 55.48277 6.008241 40.71335 6.648196 14.76942 
8.960886 
1 1 1 -8  0   34 o 83.62347 3.540100  1612.541       123.7861 1468.986       
175.7990 1753.707       174.3302 79.53510 5.264762 87.71184 4.734079 -8.176735 
7.080199 
1 1 1 -8  1   1  o 326.3775 5.757224  22432.00       788.6422 22218.46       
1099.715 22658.10       1131.584 324.7893 8.064913 327.9657 8.218253 -3.176422 
11.51445 
1 1 1 -8  1   2  o 187.4664 2.083744  7269.669       148.5507 7641.746       
280.0857 7124.039       175.2268 190.7366 3.497664 184.1962 2.265900 6.540314 
4.167489 
1 1 1 -8  1   3  o 173.3949 2.155039  6284.049       151.9937 6435.688       
249.2412 6194.269       191.7816 175.0422 3.391550 171.7475 2.659730 3.294708 
4.310078 
1 1 1 -8  1   4  o 142.6553 1.803115  4297.539       103.7992 4184.775       
171.3259 4362.935       130.4711 141.1616 2.890864 144.1491 2.155874 -2.987564 
3.606229 
1 1 1 -8  1   5  o 396.5958 4.843585  33088.88       806.3326 32254.90       
1129.706 33954.97       1151.253 391.4999 6.873134 401.6916 6.826513 -10.19174 
9.687169 
1 1 1 -8  1   6  o 209.3505 1.903379  9174.636       166.8783 8815.306       
226.5849 9600.594       246.6992 204.8866 2.634138 213.8143 2.748223 -8.927719 
3.806758 
1 1 1 -8  1   7  o 386.8307 3.356686  31296.11       520.8463 31969.53       
881.8743 30935.37       645.4464 389.9425 5.386755 383.7190 4.006526 6.223450 
6.713373 
1 1 1 -8  1   8  o 312.6008 2.734042  20472.70       357.5445 19889.38       
482.8149 21181.06       532.0518 307.6925 3.737532 317.5092 3.991340 -9.816711 
5.468083 
1 1 1 -8  1   9  o 294.6865 2.495344  18286.40       307.5528 17669.55       
450.6116 18824.34       420.8071 290.0123 3.700897 299.3607 3.348185 -9.348358 
4.990689 
1 1 1 -8  1   10 o 585.8057 6.666648  72309.12       1635.702 70822.26       
2227.818 74048.07       2409.290 579.3714 9.158909 592.2401 9.689746 -12.86865 
13.33330 
1 1 1 -8  1   11 o 184.6126 1.979297  7160.042       153.3013 6827.987       
216.2059 7495.777       217.4007 180.3050 2.856150 188.9203 2.740964 -8.615356 
3.958595 
1 1 1 -8  1   12 o 231.5955 2.982713  11157.74       213.2237 11444.85       
534.4366 11103.39       232.5322 233.2511 5.457497 229.9398 2.408740 3.311295 
5.965425 
1 1 1 -8  1   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  1   14 o 149.7330 2.115377  4539.080       118.5311 5088.494       
232.8096 4346.828       137.7166 155.6008 3.563773 143.8653 2.280087 11.73553 
4.230754 
1 1 1 -8  1   15 o 202.6475 3.351202  8724.023       270.0458 8382.492       
458.4758 8905.455       334.1624 199.4971 5.473952 205.7980 3.867564 -6.300903 
6.702403 
1 1 1 -8  1   16 o 99.20898 1.900804  2010.874       74.56939 2236.554       
132.5387 1906.350       90.19982 103.1545 3.060382 95.26345 2.255280 7.891060 
3.801608 
1 1 1 -8  1   17 o 192.8276 2.777549  7875.266       195.3326 7725.003       
386.7841 7926.710       226.3127 191.4595 4.811856 194.1956 2.775815 -2.736099 
5.555098 
1 1 1 -8  1   18 o 126.9746 2.480685  3410.112       125.4882 3338.264       
213.2749 3448.156       155.1960 125.8946 4.035096 128.0547 2.886728 -2.160179 
4.961370 
1 1 1 -8  1   19 o 146.9376 2.182628  4413.839       122.2741 4850.825       
231.8118 4245.392       143.9243 151.7659 3.638164 142.1093 2.412308 9.656662 
4.365256 
1 1 1 -8  1   20 o 125.9937 3.108848  3233.049       142.6210 3586.889       
291.4762 3121.664       163.5352 130.2117 5.331806 121.7757 3.198685 8.435905 
6.217696 
1 1 1 -8  1   21 o 17.17417 7.154163  13.94209       85.53149 0.000000       
0.000000 13.94209       85.53149 ?        ?        17.17417 7.154163 ? ? 
1 1 1 -8  1   22 o 204.1675 4.169406  8803.485       350.1978 8991.319       
556.0975 8680.040       450.8183 205.7785 6.436831 202.5565 5.301227 3.221970 
8.338813 
1 1 1 -8  1   23 o 48.08375 3.886447  487.4347       76.61101 502.1748       
123.1356 478.1252       97.85741 48.62629 6.031616 47.54120 4.902805 1.085087 
7.772894 
1 1 1 -8  1   24 o 51.31717 3.922649  569.7940       81.96598 514.4979       
129.2353 607.0062       106.0173 49.10750 6.268365 53.52684 4.717658 -4.419338 
7.845298 
1 1 1 -8  1   25 o 78.66544 3.044525  1295.349       98.28590 1387.686       
158.8053 1238.020       125.1311 80.84038 4.679052 76.49050 3.896536 4.349876 
6.089049 
1 1 1 -8  1   26 o 43.69389 4.093939  409.4287       74.77512 408.6717       
110.9196 410.0593       101.2382 43.61337 6.057729 43.77440 5.508654 
-0.1610298     8.187879 
1 1 1 -8  1   27 o 117.8169 2.953917  2952.027       143.9888 2970.170       
223.6823 2939.189       188.1563 117.9887 4.515567 117.6452 3.809481 0.3435440 
5.907833 
1 1 1 -8  1   28 f 73.99831 3.157810  1174.094       96.35132 1166.973       
150.8197 1179.005       125.2405 73.66563 4.876567 74.33100 4.013247 
-0.6653748     6.315620 
1 1 1 -8  1   29 o 116.5426 3.446199  2939.520       166.3944 2932.051       
256.4975 2944.947       218.6438 116.1283 5.260974 116.9570 4.452787 
-0.8287048     6.892398 
1 1 1 -8  1   30 o 43.27195 4.509144  435.5140       76.83382 351.8483       
116.8987 499.1475       101.9480 38.75447 7.450551 47.78943 5.081221 -9.034966 
9.018288 
1 1 1 -8  1   31 o 23.44881 5.748755  124.5215       72.43855 61.17241       
114.2948 167.0517       93.64944 20.56124 8.381685 26.33639 7.870201 -5.775150 
11.49751 
1 1 1 -8  1   32 o 42.47755 4.463024  398.7722       77.81416 485.9961       
127.5168 347.0212       98.22210 45.86829 6.621795 39.08681 5.985495 6.781487 
8.926047 
1 1 1 -8  1   33 o 21.60828 6.035187  95.14484       80.35564 90.52685       
126.1146 98.30093       104.2593 21.79326 8.832593 21.42330 8.226740 0.3699570 
12.07037 
1 1 1 -8  1   34 o 30.27079 6.305026  263.5168       86.92809 216.5422       
142.9883 291.0565       109.4834 27.32425 9.791775 33.21733 7.945724 -5.893080 
12.61005 
1 1 1 -8  1   35 o 40.55956 5.423738  431.0470       90.12873 508.4078       
134.3022 367.6596       121.5694 44.53511 7.182930 36.58401 8.128545 7.951107 
10.84748 
1 1 1 -8  2   1  o 11.50439 3.692823  -49.07236      40.75013 -3.879897      
57.37158 -95.08634      57.89069 13.35390 5.722576 9.654888 4.669034 3.699010 
7.385645 
1 1 1 -8  2   2  o 313.9196 4.416302  20957.85       537.0645 20127.72       
958.5555 21337.68       648.3939 309.2119 7.383839 318.6274 4.847042 -9.415588 
8.832604 
1 1 1 -8  2   3  o 426.5409 3.821338  38207.52       622.0439 38352.75       
1152.752 38147.86       738.8475 426.9767 6.430622 426.1051 4.130086 0.8715210 
7.642677 
1 1 1 -8  2   4  o 179.6708 2.462725  6729.434       183.9258 6438.349       
241.4125 7132.154       283.9561 175.0812 3.284288 184.2604 3.670628 -9.179169 
4.925450 
1 1 1 -8  2   5  o 141.1136 2.121249  4164.466       124.8722 4332.259       
189.0484 4034.595       166.3189 143.6215 3.135269 138.6058 2.858126 5.015717 
4.242499 
1 1 1 -8  2   6  o 371.3053 2.835375  28421.09       378.7762 27925.44       
433.3442 30025.73       779.7161 364.6549 2.830557 377.9557 4.913792 -13.30072 
5.670750 
1 1 1 -8  2   7  o 216.1791 2.960607  9788.827       267.2323 9540.780       
357.6386 10102.39       402.1043 213.0973 3.997492 219.2609 4.368160 -6.163635 
5.921213 
1 1 1 -8  2   8  o 344.2014 3.805414  24907.61       549.5231 24840.62       
762.4423 24980.02       792.7283 343.7299 5.283366 344.6729 5.478206 
-0.9429321     7.610827 
1 1 1 -8  2   9  o 248.9912 2.303809  12926.54       233.8682 12633.67       
295.5980 13416.65       382.3896 245.2656 2.870687 252.7169 3.604067 -7.451309 
4.607618 
1 1 1 -8  2   10 o 485.9759 5.399022  49734.33       1093.757 49600.58       
1461.519 49904.61       1649.009 485.3343 7.172729 486.6175 8.071537 -1.283203 
10.79804 
1 1 1 -8  2   11 o 257.3477 2.799119  13627.55       215.7663 14332.19       
564.5781 13507.03       233.4903 261.0726 5.150907 253.6228 2.192814 7.449860 
5.598238 
1 1 1 -8  2   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  2   13 o 173.4667 2.498076  6127.721       160.5612 6738.569       
319.0197 5920.499       185.8101 179.0395 4.244140 167.8939 2.636061 11.14565 
4.996153 
1 1 1 -8  2   14 o 54.49500 2.553388  646.5153       56.35529 502.1509       
85.08823 759.3302       75.21815 48.87077 4.147070 60.11923 2.980096 -11.24847 
5.106777 
1 1 1 -8  2   15 o 266.5590 3.760568  15004.57       362.8460 14876.34       
728.5262 15046.87       418.4373 265.5901 6.533628 267.5279 3.725481 -1.937866 
7.521137 
1 1 1 -8  2   16 o 303.0149 4.263000  19330.63       504.6359 19467.64       
897.5264 19267.29       610.2256 303.5329 7.043078 302.4968 4.804971 1.036072 
8.526001 
1 1 1 -8  2   17 o 142.8676 2.323549  4311.965       130.1536 4236.580       
228.5712 4348.136       158.3291 141.8937 3.836891 143.8415 2.621789 -1.947754 
4.647097 
1 1 1 -8  2   18 o 142.1865 2.272283  4180.327       123.5472 4427.571       
231.1190 4081.409       146.1873 145.0220 3.795970 139.3509 2.498738 5.671082 
4.544567 
1 1 1 -8  2   19 o 23.01202 4.712793  110.6887       47.59618 139.3763       
75.43111 91.71084       61.35174 25.22331 6.918175 20.80073 6.401605 4.422579 
9.425587 
1 1 1 -8  2   20 o 218.2450 2.970054  10040.14       261.0786 10068.78       
435.9109 10024.12       326.0207 218.3410 4.755361 218.1490 3.559696 0.1920471 
5.940109 
1 1 1 -8  2   21 f 174.0497 2.708563  6364.846       195.9387 6519.710       
300.6457 6250.500       258.3395 175.8396 4.072482 172.2598 3.572135 3.579803 
5.417127 
1 1 1 -8  2   22 o 237.6768 4.362016  11981.41       435.1924 11951.79       
609.6094 12012.19       621.4719 237.3980 6.116397 237.9556 6.220805 
-0.5575714     8.724031 
1 1 1 -8  2   23 o 77.22868 4.464055  1259.712       144.7395 1259.712       
144.7395 0.000000       0.000000 77.22868 4.464055 ?        ?        ? ? 
1 1 1 -8  2   24 o 92.97548 3.079733  1825.347       119.2799 1850.540       
180.8343 1805.943       158.6995 93.50162 4.606624 92.44935 4.088770 1.052269 
6.159467 
1 1 1 -8  2   25 f 22.71130 5.789773  95.18919       71.43826 65.74911       
107.7128 118.3087       95.45255 21.43974 8.334133 23.98287 8.039160 -2.543133 
11.57955 
1 1 1 -8  2   26 o 90.34592 3.097786  1736.477       117.2267 1682.166       
170.0293 1785.683       161.8407 88.95524 4.552745 91.73661 4.202099 -2.781372 
6.195573 
1 1 1 -8  2   27 o 59.40565 3.431827  756.7869       84.63110 734.2067       
128.5890 774.0423       112.4090 58.53651 5.232367 60.27479 4.442081 -1.738285 
6.863655 
1 1 1 -8  2   28 o 31.62505 5.137838  232.7242       75.15789 74.04371       
109.0486 376.3021       103.7294 21.61437 8.389019 41.63573 5.934128 -20.02136 
10.27568 
1 1 1 -8  2   29 o 20.12380 5.687657  48.68300       72.99541 91.33296       
111.3893 16.58168       96.63747 22.47228 8.539895 17.77532 7.514518 4.696966 
11.37531 
1 1 1 -8  2   30 o 78.08299 3.204968  1316.577       104.6362 1353.675       
156.0083 1286.242       141.0723 78.98933 4.704357 77.17666 4.353884 1.812675 
6.409936 
1 1 1 -8  2   31 o 59.91696 3.590462  789.5220       89.66166 786.7845       
134.8613 791.6904       120.0318 59.65528 5.384674 60.17863 4.750891 
-0.5233459     7.180924 
1 1 1 -8  2   32 o 17.33178 5.392193  -3.093673      75.85004 14.81628       
112.7962 -17.87757      102.4806 18.31471 7.939155 16.34884 7.298823 1.965872 
10.78439 
1 1 1 -8  2   33 o 35.63288 5.614182  320.6148       80.47295 307.2679       
128.1111 329.3133       103.4234 34.30439 8.841776 36.96137 6.920921 -2.656975 
11.22836 
1 1 1 -8  2   34 o 54.36686 4.145965  667.9733       92.90096 808.7305       
149.9082 580.2095       118.3717 58.66022 6.086994 50.07351 5.630682 8.586712 
8.291929 
1 1 1 -8  2   35 o 87.34756 3.343651  1744.536       121.7198 1810.159       
184.6937 1694.150       161.8375 88.39084 4.976980 86.30428 4.466506 2.086563 
6.687301 
1 1 1 -8  3   1  o 156.9181 3.020854  5192.768       186.4085 5119.423       
325.8257 5228.455       227.2786 156.0647 4.972807 157.7714 3.431242 -1.706650 
6.041708 
1 1 1 -8  3   2  o 423.2100 6.392361  38007.32       1065.332 37034.11       
1850.692 38489.62       1302.834 418.8101 10.52539 427.6099 7.257089 -8.799835 
12.78472 
1 1 1 -8  3   3  o 181.1715 2.541852  6943.310       191.5418 6475.629       
285.2885 7327.155       258.4568 175.5679 3.870439 186.7751 3.296021 -11.20715 
5.083704 
1 1 1 -8  3   4  o 42.10129 2.236900  372.2986       39.51512 355.5755       
55.59850 389.3681       56.17155 41.14549 3.218562 43.05708 3.107369 -1.911591 
4.473800 
1 1 1 -8  3   5  o 366.0738 4.139377  28195.88       634.9873 27957.17       
924.7388 28408.85       873.4683 364.5852 6.041448 367.5623 5.660271 -2.977081 
8.278753 
1 1 1 -8  3   6  o 345.6605 4.493416  25146.79       651.7868 24651.00       
929.8428 25625.71       913.8954 342.2957 6.470370 349.0253 6.236784 -6.729553 
8.986833 
1 1 1 -8  3   7  o 613.2957 5.011464  79011.31       1271.927 78219.72       
1660.191 80136.22       1979.092 609.7217 6.485559 616.8696 7.641767 -7.147827 
10.02293 
1 1 1 -8  3   8  o 413.7514 3.217198  35892.68       556.4764 35099.96       
749.4714 36866.64       830.7415 408.6910 4.367984 418.8117 4.724634 -10.12073 
6.434396 
1 1 1 -8  3   9  o 173.7892 2.509918  6303.639       181.9647 6004.601       
241.7822 6694.271       276.3404 169.0716 3.406236 178.5069 3.687317 -9.435287 
5.019836 
1 1 1 -8  3   10 o 459.7372 6.934327  44079.61       1214.903 45941.60       
2276.211 43337.87       1436.652 465.8937 11.63715 453.5806 7.544284 12.31311 
13.86865 
1 1 1 -8  3   11 o 265.9517 3.929415  14985.50       433.8675 14052.09       
652.4214 15725.60       580.9427 258.4272 6.013274 273.4762 5.059817 -15.04892 
7.858830 
1 1 1 -8  3   12 o 354.7297 5.153683  26678.25       745.9094 25795.70       
1195.591 27240.69       954.4373 349.7322 8.142694 359.7273 6.319679 -9.995148 
10.30737 
1 1 1 -8  3   13 o 171.8606 2.382070  6218.068       165.0341 6161.374       
274.2642 6250.250       206.6292 171.2234 3.815285 172.4979 2.853180 -1.274445 
4.764140 
1 1 1 -8  3   14 f 233.4495 3.102328  11418.24       279.4305 11567.41       
509.2615 11353.99       334.2386 234.4560 5.173691 232.4429 3.425006 2.013092 
6.204655 
1 1 1 -8  3   15 o 138.5240 2.074058  4010.692       113.3900 4093.681       
198.5182 3970.507       138.1418 139.5604 3.388122 137.4876 2.393220 2.072784 
4.148117 
1 1 1 -8  3   16 o 173.2563 2.586434  6361.256       173.3315 6185.554       
311.2377 6440.250       208.6892 171.4483 4.323944 175.0643 2.839380 -3.615952 
5.172869 
1 1 1 -8  3   17 o 47.84348 2.710176  464.8135       53.43668 606.8622       
84.68748 370.8441       68.88002 53.70704 3.755857 41.97991 3.908165 11.72713 
5.420352 
1 1 1 -8  3   18 o 78.49617 2.186861  1304.154       71.02373 1243.667       
108.7724 1349.109       93.77374 76.88567 3.369724 80.10668 2.788262 -3.221016 
4.373722 
1 1 1 -8  3   19 o 284.2319 4.790890  17252.21       555.9974 16652.74       
888.5342 17638.00       712.7932 279.7720 7.564686 288.6917 5.880988 -8.919708 
9.581779 
1 1 1 -8  3   20 o 163.4972 2.443983  5580.907       141.6344 5720.221       
295.6363 5539.406       161.3572 164.6713 4.276230 162.3231 2.367713 2.348145 
4.887966 
1 1 1 -8  3   21 o 123.6723 2.427042  3254.571       119.9864 3108.464       
201.1239 3335.305       149.5058 121.4314 3.945060 125.9132 2.828185 -4.481796 
4.854084 
1 1 1 -8  3   22 o 174.5140 2.967500  6353.371       203.5781 6623.533       
360.8280 6227.215       246.5701 177.0651 4.853870 171.9628 3.415285 5.102341 
5.935000 
1 1 1 -8  3   23 o 47.62446 4.056893  506.0174       76.84250 351.9562       
115.3040 629.1117       103.0663 40.66978 6.752948 54.57913 4.497913 -13.90935 
8.113787 
1 1 1 -8  3   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  3   25 o 210.4010 4.713593  9439.962       380.0607 9619.531       
700.0088 9364.902       452.5753 210.9158 7.905249 209.8862 5.136035 1.029526 
9.427185 
1 1 1 -8  3   26 o 129.1849 3.097110  3548.844       167.3777 3463.953       
245.5946 3622.471       228.7207 127.6718 4.581892 130.6980 4.168288 -3.026146 
6.194221 
1 1 1 -8  3   27 o 134.3421 3.124034  3813.119       169.7582 3950.518       
282.6791 3735.617       212.3039 135.9805 4.951514 132.7036 3.810626 3.276932 
6.248069 
1 1 1 -8  3   28 o 101.7665 3.294457  2196.165       137.9688 2323.630       
220.4621 2114.105       176.8897 103.9962 5.049376 99.53680 4.232919 4.459381 
6.588915 
1 1 1 -8  3   29 o 18.42329 5.163582  11.94932       69.99823 -127.7063      
108.9838 110.0154       91.32554 14.04469 6.700065 22.80190 7.858719 -8.757211 
10.32716 
1 1 1 -8  3   30 o 22.72716 5.799646  105.8583       72.81312 58.75538       
112.3097 140.0127       95.63506 20.67986 8.354156 24.77447 8.046842 -4.094604 
11.59929 
1 1 1 -8  3   31 o 49.79837 3.879997  546.0084       80.63062 567.4980       
121.7274 529.2087       107.6278 50.55200 5.735495 49.04475 5.227005 1.507256 
7.759993 
1 1 1 -8  3   32 o 23.49097 6.091467  122.2963       79.80148 86.82713       
120.9024 149.6784       106.2288 21.94923 8.746402 25.03271 8.480822 -3.083475 
12.18293 
1 1 1 -8  3   33 f 43.95503 4.861359  423.6669       84.37415 631.3878       
142.1745 310.7374       104.8299 52.16313 6.492008 35.74694 7.237752 16.41619 
9.722717 
1 1 1 -8  3   34 o 42.96657 5.341438  451.5284       90.85337 747.8311       
138.8223 229.5337       120.1608 56.83622 5.817750 29.09691 8.959779 27.73931 
10.68288 
1 1 1 -8  3   35 o 29.53207 6.163198  255.7157       82.96007 215.5248       
134.4309 280.4365       105.4307 26.80189 9.505246 32.26226 7.847952 -5.460365 
12.32640 
1 1 1 -8  4   1  o 103.6427 2.288074  2283.127       87.73481 2198.927       
169.2202 2314.082       102.6020 102.3064 3.939767 104.9790 2.327953 -2.672684 
4.576148 
1 1 1 -8  4   2  o 72.79723 2.026266  1147.966       59.62404 959.2887       
93.35484 1277.954       77.48708 67.58115 3.290276 78.01331 2.365820 -10.43215 
4.052532 
1 1 1 -8  4   3  o 123.7811 2.333099  2986.874       100.8846 3643.591       
223.7294 2819.263       113.0280 131.6895 4.046624 115.8727 2.323412 15.81687 
4.666199 
1 1 1 -8  4   4  o 363.2047 3.776263  27707.53       575.1611 27214.67       
791.6852 28258.45       837.0068 359.7976 5.241014 366.6118 5.438055 -6.814209 
7.552527 
1 1 1 -8  4   5  o 209.6955 2.864176  9219.059       251.4031 8998.590       
340.8685 9482.031       372.2799 206.9581 3.923065 212.4330 4.174156 -5.474930 
5.728352 
1 1 1 -8  4   6  o 63.87345 1.918635  853.1987       51.31757 905.8257       
75.99319 809.0815       69.57836 65.67615 2.756056 62.07076 2.669981 3.605389 
3.837270 
1 1 1 -8  4   7  o 326.2589 2.308601  22281.44       313.2018 21824.52       
413.2980 22897.81       480.0220 322.3556 3.053861 330.1623 3.463018 -7.806732 
4.617203 
1 1 1 -8  4   8  o 381.5767 3.130990  30600.06       500.2801 30621.66       
683.4592 30575.12       734.2769 381.7372 4.264511 381.4161 4.585449 0.3211365 
6.261980 
1 1 1 -8  4   9  o 230.2641 3.073457  11038.52       271.7070 11399.30       
501.8591 10888.92       323.1665 232.8501 5.133652 227.6780 3.380853 5.172089 
6.146914 
1 1 1 -8  4   10 o 281.2757 5.073510  16625.29       511.3320 16728.96       
1045.980 16592.74       586.1443 281.6183 8.846747 280.9331 4.969615 0.6852112 
10.14702 
1 1 1 -8  4   11 o 254.0910 3.734864  13565.17       398.4217 0.000000       
0.000000 13565.17       398.4217 ?        ?        254.0910 3.734864 ? ? 
1 1 1 -8  4   12 o 84.15308 2.026476  1465.813       70.53801 1609.621       
111.5924 1370.118       91.03049 87.53754 3.036415 80.76862 2.684512 6.768929 
4.052952 
1 1 1 -8  4   13 o 191.4512 2.923793  7625.340       200.1081 7856.832       
413.2675 7554.441       228.7075 193.2614 5.093392 189.6410 2.872561 3.620453 
5.847585 
1 1 1 -8  4   14 o 297.3285 4.323423  18436.99       494.3256 19082.52       
910.6990 18167.35       588.5786 300.7809 7.211833 293.8761 4.770472 6.904785 
8.646846 
1 1 1 -8  4   15 o 163.0128 2.811899  5546.153       182.1106 5715.908       
315.3125 5461.184       223.0787 164.8267 4.556533 161.1989 3.296227 3.627838 
5.623798 
1 1 1 -8  4   16 o 52.11105 2.536900  559.7704       54.72215 637.4362       
86.64774 508.2403       70.57851 55.05467 3.748730 49.16743 3.419133 5.887241 
5.073800 
1 1 1 -8  4   17 o 191.2509 2.571560  7744.153       188.4124 7571.783       
344.5423 7817.689       225.0421 189.6392 4.327484 192.8625 2.779310 -3.223328 
5.143120 
1 1 1 -8  4   18 o 122.2028 2.663136  3033.493       125.7178 3423.263       
234.2381 2875.789       148.9958 127.4647 4.377123 116.9409 3.034792 10.52381 
5.326272 
1 1 1 -8  4   19 o 79.92140 2.143739  1345.168       70.33443 1336.721       
111.6809 1350.720       90.54693 79.69508 3.337862 80.14771 2.690938 
-0.4526291     4.287478 
1 1 1 -8  4   20 o 181.8991 2.520373  6887.974       171.0453 7146.656       
331.5438 6794.152       199.6687 184.0612 4.290418 179.7370 2.646022 4.324203 
5.040746 
1 1 1 -8  4   21 o 55.43416 2.687516  672.4655       60.17228 515.1541       
90.93348 795.0031       80.25612 49.40913 4.383668 61.45919 3.110373 -12.05006 
5.375032 
1 1 1 -8  4   22 f 175.0942 3.168844  6499.760       214.8895 6394.584       
385.9473 6547.015       258.6982 173.8773 5.286962 176.3111 3.494902 -2.433762 
6.337689 
1 1 1 -8  4   23 f 72.06927 2.501701  1080.120       74.19433 1163.990       
119.0467 1026.853       94.87368 74.30548 3.816080 69.83306 3.235979 4.472420 
5.003401 
1 1 1 -8  4   24 o 87.00823 2.479841  1582.412       86.13011 1640.898       
147.8416 1552.363       105.9710 88.15688 3.994491 85.85959 2.939811 2.297287 
4.959682 
1 1 1 -8  4   25 o 118.5773 3.756513  2994.566       169.1232 2980.232       
314.8916 3000.377       200.4948 118.0463 6.353746 119.1084 4.009423 -1.062126 
7.513027 
1 1 1 -8  4   26 o 129.9563 3.474994  3582.291       185.5506 3651.507       
295.5304 3537.250       238.3960 130.8133 5.381103 129.0992 4.398417 1.714050 
6.949988 
1 1 1 -8  4   27 o 119.5996 2.802988  3032.094       139.2762 3060.545       
213.2910 3010.944       183.8947 119.9966 4.233745 119.2025 3.674557 0.7941055 
5.605976 
1 1 1 -8  4   28 o 82.98540 2.974564  1449.166       102.0028 1573.481       
161.6116 1366.853       131.5058 85.81734 4.485580 80.15346 3.907902 5.663879 
5.949128 
1 1 1 -8  4   29 o 99.90732 3.358309  2143.279       140.3009 2204.434       
209.0947 2093.196       189.2213 101.1070 4.925868 98.70761 4.566048 2.399414 
6.716619 
1 1 1 -8  4   30 o 63.96909 3.377592  882.6827       89.93982 913.9321       
137.3213 859.2076       119.0208 64.84290 5.044250 63.09528 4.493111 1.747612 
6.755184 
1 1 1 -8  4   31 o 28.04306 6.100761  186.8658       78.83617 222.7750       
117.9081 157.8329       106.0195 30.17518 8.780348 25.91095 8.472464 4.264235 
12.20152 
1 1 1 -8  4   32 o 27.58194 6.102751  186.7515       86.85988 72.33621       
131.6189 275.0254       115.6092 21.82720 8.962140 33.33668 8.285790 -11.50948 
12.20550 
1 1 1 -8  4   33 o 50.79506 4.269512  585.6565       90.02073 614.1102       
139.1844 565.1942       118.0317 51.57493 6.427957 50.01518 5.621058 1.559746 
8.539023 
1 1 1 -8  4   34 o 37.20252 5.507689  339.6465       82.56747 426.4723       
129.3815 279.9898       107.2451 41.23602 7.758283 33.16902 7.819692 8.067005 
11.01538 
1 1 1 -8  4   35 f 16.15690 5.290802  -38.42448      83.95287 -23.84389      
130.1605 -48.81143      109.8591 17.12626 7.868863 15.18754 7.074699 1.938717 
10.58160 
1 1 1 -8  5   1  o 96.84393 2.132632  2013.732       83.76308 1781.172       
132.7080 2167.736       107.9931 92.08546 3.432631 101.6024 2.531705 -9.516945 
4.265265 
1 1 1 -8  5   2  o 287.7354 4.679448  17749.22       533.8764 16386.16       
901.5889 18485.25       662.5197 278.9481 7.698501 296.5227 5.321841 -17.57455 
9.358895 
1 1 1 -8  5   3  o 197.4148 2.430578  8289.247       187.1485 7904.767       
329.3525 8472.590       227.4341 193.9673 4.044394 200.8623 2.696983 -6.895004 
4.861156 
1 1 1 -8  5   4  o 431.8864 4.463306  39187.24       807.4979 38490.99       
1101.595 39995.84       1187.147 427.7716 6.133822 436.0012 6.485416 -8.229584 
8.926612 
1 1 1 -8  5   5  o 253.9422 2.430663  13463.82       252.2062 13199.33       
320.1411 13896.50       409.4689 250.6926 3.041732 257.1919 3.792144 -6.499252 
4.861326 
1 1 1 -8  5   6  o 200.8945 2.366961  8430.350       197.6060 8164.725       
259.6916 8795.673       304.5533 197.1640 3.137266 204.6250 3.545077 -7.460953 
4.733921 
1 1 1 -8  5   7  o 340.7668 3.166146  24227.71       440.3267 23676.26       
557.4745 25142.41       717.9776 335.6910 3.955545 345.8426 4.944855 -10.15155 
6.332293 
1 1 1 -8  5   8  o 142.8475 2.519665  4148.660       137.3836 4616.975       
260.7029 3968.607       161.6503 148.2289 4.189230 137.4661 2.800928 10.76279 
5.039330 
1 1 1 -8  5   9  o 153.6070 2.172486  4954.231       139.9953 4995.631       
202.3558 4916.226       193.8823 154.2207 3.125317 152.9932 3.018471 1.227554 
4.344971 
1 1 1 -8  5   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  5   11 o 311.5891 4.412193  20568.36       511.8022 20141.18       
981.3966 20727.94       599.8276 309.1620 7.561005 314.0161 4.549834 -4.854126 
8.824386 
1 1 1 -8  5   12 o 102.4333 2.008600  2135.844       81.70377 2410.719       
144.3826 2006.357       99.09674 107.1234 3.210343 97.74320 2.414871 9.380226 
4.017201 
1 1 1 -8  5   13 o 452.2371 6.608301  42877.19       1131.608 44089.72       
2135.650 42403.87       1334.316 455.9564 11.15650 448.5177 7.085981 7.438660 
13.21660 
1 1 1 -8  5   14 o 107.5887 1.715063  2448.353       76.88361 2245.963       
112.8269 2623.800       105.0490 103.4042 2.598936 111.7733 2.238593 -8.369087 
3.430126 
1 1 1 -8  5   15 o 98.30794 1.847153  1986.826       73.96056 2204.948       
122.8527 1862.830       92.62716 102.4421 2.856454 94.17379 2.342768 8.268295 
3.694305 
1 1 1 -8  5   16 o 302.7441 4.398892  19331.26       485.5783 19353.58       
966.3855 19323.72       561.6249 302.4765 7.609916 303.0116 4.414770 
-0.5351257     8.797785 
1 1 1 -8  5   17 o 320.5123 5.037455  21627.29       650.6125 22142.44       
1090.328 21342.44       810.7776 323.1072 8.037699 317.9175 6.074471 5.189697 
10.07491 
1 1 1 -8  5   18 o 130.2558 2.157963  3590.078       115.7094 3451.252       
180.6041 3686.738       150.7009 128.0817 3.358625 132.4299 2.710508 -4.348175 
4.315926 
1 1 1 -8  5   19 o 82.82272 2.221689  1448.594       76.76368 1390.459       
113.8523 1497.051       103.9435 81.28136 3.336354 84.36407 2.934681 -3.082718 
4.443378 
1 1 1 -8  5   20 o 127.0952 2.336828  3412.280       120.2267 3356.563       
197.4640 3445.101       151.5559 126.2179 3.726387 127.9725 2.820833 -1.754562 
4.673656 
1 1 1 -8  5   21 o 80.62317 2.317956  1349.070       76.36079 1451.083       
125.0271 1288.377       96.43700 82.99612 3.588124 78.25021 2.935481 4.745911 
4.635912 
1 1 1 -8  5   22 o 167.9933 2.389621  5955.880       163.1644 5888.794       
265.7051 5996.494       206.7352 167.1661 3.785931 168.8204 2.916826 -1.654297 
4.779242 
1 1 1 -8  5   23 o 98.67824 2.263320  2065.898       92.79457 1921.505       
138.6968 2182.909       124.8547 95.50806 3.458976 101.8484 2.919924 -6.340340 
4.526640 
1 1 1 -8  5   24 o 176.5909 2.333426  6254.585       142.9805 7143.419       
315.4023 6024.678       160.4099 183.9243 4.084574 169.2574 2.257380 14.66685 
4.666852 
1 1 1 -8  5   25 o 111.9668 2.658850  2594.085       119.6596 2834.866       
204.6163 2468.943       147.5135 115.7429 4.210823 108.1907 3.247602 7.552177 
5.317701 
1 1 1 -8  5   26 o 114.6799 3.099548  2803.838       146.7979 2712.088       
227.0527 2869.738       192.4253 112.9421 4.788416 116.4177 3.936987 -3.475670 
6.199097 
1 1 1 -8  5   27 o 99.28225 4.219630  2094.267       175.8834 2094.267       
175.8834 0.000000       0.000000 99.28225 4.219630 ?        ?        ? ? 
1 1 1 -8  5   28 o 76.24597 3.118166  1250.905       98.83738 1145.389       
146.3366 1339.417       134.0274 73.16038 4.764290 79.33156 4.024100 -6.171181 
6.236332 
1 1 1 -8  5   29 o 36.20016 5.225045  294.4256       76.10205 348.1147       
118.0867 256.2871       99.52680 39.00326 7.478177 33.39705 7.299402 5.606213 
10.45009 
1 1 1 -8  5   30 o 83.19267 3.061091  1490.182       106.7155 1479.880       
155.3950 1499.377       146.8080 82.85378 4.467306 83.53155 4.186202 
-0.6777649     6.122181 
1 1 1 -8  5   31 o 45.44495 4.683478  453.7447       87.48737 520.4507       
141.9873 412.9197       111.0784 47.86014 7.066372 43.02975 6.148679 4.830395 
9.366956 
1 1 1 -8  5   32 o 47.45367 4.555801  510.8368       90.49712 521.3663       
133.6376 501.9184       122.9890 47.77993 6.661993 47.12742 6.216040 0.6525078 
9.111603 
1 1 1 -8  5   33 o 56.43624 4.070947  721.7217       95.89718 708.0586       
142.4163 733.0557       129.7106 55.70485 6.089587 57.16763 5.404385 -1.462780 
8.141894 
1 1 1 -8  5   34 o 25.17276 6.261802  150.7040       83.35704 225.2587       
127.6152 95.22331       110.0869 28.93884 9.285302 21.40668 8.403799 7.532166 
12.52360 
1 1 1 -8  5   35 o 48.68426 5.023968  609.5524       94.50626 464.8211       
143.1087 721.4837       125.8521 41.58805 8.490047 55.78046 5.374024 -14.19240 
10.04794 
1 1 1 -8  5   36 o 16.80035 5.367285  2.167873       80.73220 -10.42816      
124.2993 11.35855       106.1759 16.93816 7.743504 16.66254 7.434322 0.2756138 
10.73457 
1 1 1 -8  6   1  o 226.5108 2.742652  10897.62       233.4324 10512.59       
439.4360 11048.98       275.5208 223.6503 4.680015 229.3713 2.861123 -5.720963 
5.485304 
1 1 1 -8  6   2  o 495.2230 4.763031  51367.45       983.3499 49678.10       
1306.079 53578.35       1494.152 485.9262 6.402069 504.5198 7.054034 -18.59363 
9.526063 
1 1 1 -8  6   3  o 480.3099 4.461100  47810.32       852.7593 46337.54       
1042.896 50781.75       1481.341 469.4701 5.291200 491.1497 7.183931 -21.67960 
8.922200 
1 1 1 -8  6   4  o 357.7236 3.479315  26320.33       483.2219 25430.24       
577.0975 28408.38       883.8953 347.9070 3.951000 367.5401 5.728187 -19.63306 
6.958630 
1 1 1 -8  6   5  o 453.5833 2.961249  42596.53       523.4668 41568.73       
628.4619 44925.13       945.9559 444.8581 3.364949 462.3085 4.873714 -17.45044 
5.922497 
1 1 1 -8  6   6  o 361.5198 3.553859  27476.76       539.3345 27339.14       
767.6346 27610.91       757.9264 360.6212 5.070192 362.4184 4.981245 -1.797180 
7.107718 
1 1 1 -8  6   7  o 250.4116 3.580973  12987.55       301.5594 13510.25       
679.5182 12859.36       336.5115 253.3928 6.387456 247.4305 3.239424 5.962326 
7.161945 
1 1 1 -8  6   8  o 272.8098 5.540977  15386.10       477.7804 16131.88       
1168.179 15236.29       523.5742 276.3810 10.06752 269.2385 4.631932 7.142487 
11.08195 
1 1 1 -8  6   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  6   10 o 134.4073 2.149802  3763.836       116.0459 3898.701       
196.6053 3691.728       143.7597 136.2289 3.437534 132.5857 2.582626 3.643250 
4.299604 
1 1 1 -8  6   11 o 156.9705 2.279054  5194.034       146.2962 5095.456       
234.0466 5257.247       187.4232 155.7307 3.579722 158.2103 2.821692 -2.479675 
4.558109 
1 1 1 -8  6   12 o 328.8666 5.752352  22885.42       760.0745 22582.07       
1270.816 23054.37       948.4076 326.9210 9.258933 330.8123 6.828644 -3.891266 
11.50470 
1 1 1 -8  6   13 o 213.2217 2.307594  9711.778       195.8253 9036.118       
328.9630 10082.61       243.7100 207.3488 3.778910 219.0947 2.649492 -11.74585 
4.615189 
1 1 1 -8  6   14 o 230.3710 2.805542  10983.86       216.8010 11448.28       
490.4080 10871.05       241.7027 233.2453 5.008016 227.4967 2.530623 5.748627 
5.611085 
1 1 1 -8  6   15 o 195.6509 2.297623  8029.584       166.4007 8078.373       
324.2269 8012.137       193.8824 195.9981 3.940201 195.3038 2.364552 0.6942444 
4.595246 
1 1 1 -8  6   16 o 71.19879 2.232207  1071.679       66.15031 1012.484       
98.66801 1120.010       89.15499 69.39536 3.386624 73.00222 2.908912 -3.606857 
4.464414 
1 1 1 -8  6   17 o 192.9041 2.465245  7807.344       176.6732 7869.459       
342.4073 7784.809       206.2483 193.3364 4.218426 192.4718 2.552374 0.8646240 
4.930490 
1 1 1 -8  6   18 o 165.2456 2.768949  5739.775       182.5069 5780.397       
311.6307 5718.568       225.1606 165.6123 4.481967 164.8788 3.252735 0.7334747 
5.537898 
1 1 1 -8  6   19 o 108.9896 2.178191  2496.772       94.86148 2506.849       
161.2589 2491.440       117.3048 109.1204 3.519968 108.8588 2.566689 0.2616043 
4.356382 
1 1 1 -8  6   20 o 149.4231 2.883132  4726.383       176.9144 4615.687       
279.3047 4800.552       228.6259 147.8844 4.498595 150.9619 3.607275 -3.077454 
5.766263 
1 1 1 -8  6   21 o 138.4376 2.447585  4049.583       131.5290 4001.036       
235.5923 4071.566       158.5365 137.7457 4.073841 139.1295 2.714133 -1.383728 
4.895171 
1 1 1 -8  6   22 o 62.80858 2.559123  836.5544       66.07958 802.6631       
103.4793 859.8907       85.86703 61.70309 3.994546 63.91407 3.200008 -2.210979 
5.118247 
1 1 1 -8  6   23 o 76.19527 2.558407  1251.312       79.13500 1099.860       
124.7535 1353.283       102.3657 72.20671 4.115250 80.18384 3.040806 -7.977127 
5.116814 
1 1 1 -8  6   24 o 201.2840 3.498384  8619.014       286.3411 8410.960       
463.9186 8747.055       363.9366 199.0893 5.550280 203.4786 4.260182 -4.389252 
6.996768 
1 1 1 -8  6   25 o 82.17331 2.502393  1455.584       82.78062 1311.300       
134.2338 1544.131       105.1575 78.74483 4.060327 85.60178 2.926028 -6.856956 
5.004787 
1 1 1 -8  6   26 o 77.61023 2.507902  1249.203       79.58041 1376.571       
130.6268 1174.031       100.3534 80.64739 3.858006 74.57306 3.205320 6.074333 
5.015803 
1 1 1 -8  6   27 o 153.0639 3.382674  4982.527       215.5302 5077.033       
328.0903 4910.782       285.8652 154.1965 5.068040 151.9314 4.481618 2.265106 
6.765348 
1 1 1 -8  6   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  6   29 o 146.5191 3.289547  4641.277       200.1850 4358.920       
300.2745 4867.170       268.5785 142.2025 5.029586 150.8356 4.241197 -8.633133 
6.579094 
1 1 1 -8  6   30 o 113.6801 3.110665  2748.263       146.2521 2973.863       
230.8384 2596.978       189.0328 117.3401 4.685788 110.0202 4.092474 7.319893 
6.221331 
1 1 1 -8  6   31 o 41.72222 5.578148  435.1330       89.96144 314.8135       
146.8981 507.3379       113.7971 35.50333 9.617533 47.94111 5.653849 -12.43778 
11.15630 
1 1 1 -8  6   32 o 33.95555 5.906380  285.8134       83.53516 264.5587       
125.0178 302.9574       112.2793 32.48826 8.904460 35.42283 7.762208 -2.934570 
11.81276 
1 1 1 -8  6   33 o 62.78016 3.922327  900.6496       100.9609 788.5622       
153.3918 986.3218       134.1045 58.74151 6.219825 66.81880 4.780417 -8.077293 
7.844655 
1 1 1 -8  6   34 o 50.11706 4.519871  590.8782       93.68605 540.3484       
140.4053 631.4305       125.7818 47.65401 7.017869 52.58010 5.697933 -4.926086 
9.039742 
1 1 1 -8  6   35 o 34.70676 5.588277  356.8668       90.26132 129.1162       
144.9201 501.2111       115.3716 23.28691 9.456367 46.12661 5.957559 -22.83970 
11.17655 
1 1 1 -8  6   36 o 18.80374 5.699466  57.00101       80.89249 32.06917       
123.6916 75.63322       106.9289 18.26542 8.095871 19.34206 8.024496 -1.076643 
11.39893 
1 1 1 -8  7   1  o 330.1343 3.515868  22971.89       478.5566 22580.45       
747.9544 23243.21       622.6954 327.7017 5.436477 332.5669 4.459824 -4.865265 
7.031735 
1 1 1 -8  7   2  o 645.7767 10.56022  89081.42       2615.485 87550.94       
4772.509 89738.39       3126.858 640.1275 17.75830 651.4258 11.43311 -11.29834 
21.12044 
1 1 1 -8  7   3  o 44.45298 2.669693  447.4782       46.05397 278.9737       
69.67290 578.2310       61.37390 36.43359 4.554943 52.47237 2.785955 -16.03878 
5.339386 
1 1 1 -8  7   4  o 286.0671 2.596533  17101.81       307.7271 16660.31       
401.3674 17731.46       479.3185 281.6271 3.394601 290.5070 3.929965 -8.879913 
5.193067 
1 1 1 -8  7   5  o 73.16769 2.032679  1128.805       61.97713 1084.042       
92.44389 1165.352       83.53017 71.84247 3.064912 74.49291 2.670850 -2.650444 
4.065357 
1 1 1 -8  7   6  o 368.7228 5.451108  27978.16       661.2990 29713.38       
1540.770 27586.33       732.1658 375.1792 9.781827 362.2665 4.813959 12.91275 
10.90222 
1 1 1 -8  7   7  o 412.7630 8.038805  36329.56       1299.589 35227.70       
2277.194 36861.77       1582.625 407.4959 13.31060 418.0301 9.017615 -10.53421 
16.07761 
1 1 1 -8  7   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  7   9  o 269.7471 3.322782  15363.91       357.5065 15076.29       
606.5646 15517.01       442.5437 267.7434 5.396092 271.7508 3.878880 -4.007385 
6.645564 
1 1 1 -8  7   10 o 215.5363 3.038283  9720.366       255.9951 9883.724       
456.0211 9645.200       309.3346 216.8044 5.010004 214.2682 3.438680 2.536118 
6.076566 
1 1 1 -8  7   11 o 325.4840 4.082886  22042.49       493.6762 22830.28       
963.1877 21761.80       574.9373 329.2043 6.968936 321.7637 4.256028 7.440613 
8.165772 
1 1 1 -8  7   12 o 176.5331 2.653457  6529.068       190.1541 6627.889       
312.7028 6471.085       239.5305 177.5649 4.194650 175.5013 3.250886 2.063629 
5.306915 
1 1 1 -8  7   13 o 349.6358 5.515740  25565.45       725.9732 26337.47       
1384.280 25272.55       852.6349 352.8296 9.345014 346.4420 5.862106 6.387634 
11.03148 
1 1 1 -8  7   14 o 59.13137 2.600473  692.5438       62.54272 924.9676       
105.5719 566.8638       77.63202 66.33116 3.790982 51.93158 3.560659 14.39959 
5.200946 
1 1 1 -8  7   15 o 88.67719 2.053305  1647.604       74.91920 1676.194       
118.8519 1628.753       96.50745 89.30509 3.169940 88.04928 2.610695 1.255814 
4.106610 
1 1 1 -8  7   16 o 121.5222 2.168210  3136.833       106.9818 2970.842       
172.6480 3240.294       136.3041 118.8629 3.459683 124.1815 2.614407 -5.318642 
4.336419 
1 1 1 -8  7   17 o 207.2109 2.761331  8926.521       206.1552 9251.778       
421.4088 8824.190       236.3706 209.5261 4.790564 204.8957 2.747778 4.630325 
5.522661 
1 1 1 -8  7   18 o 113.6905 2.391253  2750.780       112.2595 2522.374       
170.8866 2924.180       148.8939 109.4636 3.718429 117.9174 3.007600 -8.453827 
4.782507 
1 1 1 -8  7   19 o 79.01009 2.290657  1303.033       74.11772 1361.409       
119.8998 1266.931       94.29146 80.41053 3.551620 77.60964 2.893862 2.800888 
4.581314 
1 1 1 -8  7   20 o 107.3331 2.055522  2442.339       91.89294 2218.481       
134.5205 2638.198       125.8272 102.6680 3.120861 111.9982 2.675989 -9.330261 
4.111045 
1 1 1 -8  7   21 f 178.4131 2.548341  6690.793       175.2677 6743.072       
319.4256 6668.274       209.6450 178.7865 4.255554 178.0397 2.804714 0.7467194 
5.096682 
1 1 1 -8  7   22 o 155.2952 2.883895  5063.649       182.0246 5171.329       
298.7950 5000.104       229.5334 156.5178 4.547059 154.0727 3.548472 2.445160 
5.767789 
1 1 1 -8  7   23 o 204.1743 2.874803  8815.608       245.3263 8526.007       
361.0073 9064.103       334.4055 200.9982 4.278041 207.3505 3.841398 -6.352356 
5.749606 
1 1 1 -8  7   24 o 133.7866 2.520138  3763.964       139.5557 3834.557       
217.2098 3714.338       182.1182 134.8042 3.837930 132.7691 3.267213 2.035110 
5.040277 
1 1 1 -8  7   25 o 45.63814 3.508144  454.8194       64.46484 390.5821       
102.7582 496.5078       82.78081 42.82224 5.715682 48.45403 4.069311 -5.631786 
7.016289 
1 1 1 -8  7   26 o 100.9814 2.506429  2165.656       103.2382 2111.184       
165.9307 2200.059       131.8702 99.85451 3.958039 102.1082 3.076147 -2.253731 
5.012858 
1 1 1 -8  7   27 o 90.51994 2.375812  1704.825       87.64659 1847.855       
144.6862 1621.915       110.1587 93.40079 3.689756 87.63908 2.993932 5.761703 
4.751623 
1 1 1 -8  7   28 o 90.76605 2.881344  1725.242       99.23561 1818.934       
187.5905 1688.835       116.9375 92.19515 4.846451 89.33696 3.117767 2.858192 
5.762687 
1 1 1 -8  7   29 o 105.7188 4.442310  2394.581       197.1697 0.000000       
0.000000 2394.581       197.1697 ?        ?        105.7188 4.442310 ? ? 
1 1 1 -8  7   30 o 20.42046 5.909403  38.50885       80.53397 93.13501       
125.5539 0.3231209      104.9737 23.15805 8.998774 17.68287 7.662000 5.475176 
11.81881 
1 1 1 -8  7   31 o 35.73152 6.010732  314.0737       89.74741 246.7710       
132.1504 371.6875       122.2688 31.67680 9.320737 39.78624 7.592065 -8.109432 
12.02146 
1 1 1 -8  7   32 o 28.64548 6.095393  183.5060       84.71716 314.7915       
130.2216 87.16947       111.5502 35.57335 8.764678 21.71761 8.473234 13.85575 
12.19079 
1 1 1 -8  7   33 o 74.73961 3.537323  1241.635       110.1256 1211.934       
164.9922 1265.498       147.8899 73.65730 5.335421 75.82193 4.645846 -2.164635 
7.074645 
1 1 1 -8  7   34 o 21.70478 5.513242  47.99843       84.25349 -162.2818      
124.6856 224.6953       114.2961 14.04743 6.803430 29.36213 8.677366 -15.31470 
11.02648 
1 1 1 -8  7   35 o 83.45312 4.029145  1625.473       136.2477 1588.534       
220.7926 1648.189       173.1456 81.54271 6.449416 85.36353 4.831259 -3.820816 
8.058290 
1 1 1 -8  7   36 o 25.08865 6.335613  183.4614       84.37420 179.1200       
124.8502 187.1109       114.4706 24.77687 9.122692 25.40042 8.794116 
-0.6235504     12.67123 
1 1 1 -8  8   1  o 308.2087 2.639246  20068.33       325.9737 19580.09       
546.7687 20337.56       406.0211 305.2452 4.266540 311.1722 3.107913 -5.926971 
5.278492 
1 1 1 -8  8   2  o 394.3240 4.618336  33121.29       677.3024 31858.29       
1294.742 33597.12       794.7128 388.8508 7.930878 399.7972 4.734690 -10.94638 
9.236671 
1 1 1 -8  8   3  o 143.3163 2.460319  4345.671       146.1205 4103.035       
221.8248 4531.656       194.2090 139.7478 3.780821 146.8848 3.149295 -7.137009 
4.920637 
1 1 1 -8  8   4  o 103.9353 2.281424  2207.741       91.65578 2425.215       
169.6582 2118.110       108.9179 107.4406 3.761210 100.4301 2.583191 7.010506 
4.562848 
1 1 1 -8  8   5  o 303.5891 4.755217  19153.17       506.0996 19850.53       
1076.045 18955.08       573.4911 306.8690 8.352153 300.3091 4.548615 6.559937 
9.510434 
1 1 1 -8  8   6  o 486.8578 9.209275  49796.33       1681.733 51341.27       
3223.755 49218.70       1971.209 490.8913 15.64220 482.8242 9.724440 8.067078 
18.41855 
1 1 1 -8  8   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  8   8  o 65.55177 2.292487  893.2686       62.09949 953.8823       
98.14714 852.8035       80.19231 67.38371 3.469316 63.71983 2.997638 3.663887 
4.584974 
1 1 1 -8  8   9  o 225.4916 3.221467  10655.43       275.6823 10765.81       
516.5435 10611.47       325.9928 226.2387 5.438272 224.7444 3.454937 1.494308 
6.442934 
1 1 1 -8  8   10 o 49.45229 2.898123  505.4982       59.33757 563.7407       
93.70795 466.5135       76.66617 51.78784 4.309925 47.11673 3.875695 4.671108 
5.796246 
1 1 1 -8  8   11 o 166.4041 2.247794  5793.042       143.7937 5877.392       
263.8662 5757.412       171.4956 167.2362 3.758154 165.5719 2.467103 1.664230 
4.495589 
1 1 1 -8  8   12 o 280.1049 3.020343  16528.75       323.2994 16415.00       
596.1548 16576.15       384.7979 279.3301 5.083495 280.8796 3.263124 -1.549438 
6.040687 
1 1 1 -8  8   13 o 92.70279 2.145617  1753.388       78.70933 1959.921       
139.8350 1657.607       95.22710 96.57123 3.448968 88.83434 2.553293 7.736885 
4.291234 
1 1 1 -8  8   14 o 117.6653 2.382511  2900.632       113.6847 2945.735       
187.4410 2874.385       142.9858 118.3681 3.771821 116.9625 2.911839 1.405579 
4.765023 
1 1 1 -8  8   15 o 207.6352 3.692373  9120.547       307.7380 8946.683       
514.9056 9217.160       383.8327 205.9813 5.954165 209.2891 4.368339 -3.307846 
7.384745 
1 1 1 -8  8   16 o 163.4108 2.440778  5611.365       152.6616 5625.520       
281.3925 5605.461       181.7310 163.4968 4.099440 163.3248 2.650318 0.1719666 
4.881556 
1 1 1 -8  8   17 o 289.8478 3.667964  17787.72       411.1511 17546.10       
740.9394 17895.22       494.2232 288.1465 6.124779 291.5490 4.037686 -3.402557 
7.335927 
1 1 1 -8  8   18 o 164.9617 2.696198  5746.657       183.3489 5639.798       
286.5491 5820.733       238.5806 163.6096 4.171684 166.3138 3.416866 -2.704239 
5.392395 
1 1 1 -8  8   19 o 49.54994 2.952425  508.4578       60.57898 572.0052       
95.68083 465.9406       78.26331 52.07785 4.376157 47.02203 3.964404 5.055820 
5.904850 
1 1 1 -8  8   20 o 60.83836 2.444788  764.1959       60.38207 838.2542       
100.9264 722.9099       75.35620 63.06770 3.811702 58.60901 3.062497 4.458691 
4.889577 
1 1 1 -8  8   21 o 204.0178 3.467247  8827.449       288.3246 8654.024       
465.0053 8935.767       367.4958 202.2200 5.477154 205.8156 4.252999 -3.595612 
6.934494 
1 1 1 -8  8   22 o 93.39992 2.229146  1861.378       85.06667 1718.065       
134.0015 1958.118       110.0957 90.31491 3.534038 96.48492 2.717891 -6.170006 
4.458291 
1 1 1 -8  8   23 o 242.1818 3.649626  12371.44       320.5344 12483.29       
644.0577 12334.62       369.5513 242.4322 6.327839 241.9314 3.638343 0.5008698 
7.299253 
1 1 1 -8  8   24 o 208.9110 2.929628  9167.292       226.4539 9326.335       
442.3853 9110.819       263.6099 209.8314 5.021706 207.9906 3.018833 1.840790 
5.859256 
1 1 1 -8  8   25 o 90.95419 2.414684  1766.724       89.18108 1659.136       
143.4784 1834.458       113.8439 88.60461 3.857016 93.30378 2.906240 -4.699165 
4.829369 
1 1 1 -8  8   26 o 114.7998 2.535365  2792.164       121.4825 2727.550       
180.6934 2845.458       164.1062 113.5374 3.790744 116.0621 3.367872 -2.524719 
5.070729 
1 1 1 -8  8   27 o 60.45589 2.919813  771.3823       72.26632 796.4257       
116.6447 755.7819       92.06334 61.17632 4.541534 59.73545 3.670926 1.440876 
5.839626 
1 1 1 -8  8   28 o 191.3430 3.030540  7801.209       238.7830 7806.009       
376.0753 7797.968       309.0777 191.1122 4.687135 191.5737 3.842844 
-0.4615173     6.061080 
1 1 1 -8  8   29 f 20.03951 5.227562  73.76059       58.76764 41.62714       
93.76475 94.54988       75.41898 18.88689 7.631886 21.19213 7.145905 -2.305239 
10.45512 
1 1 1 -8  8   30 o 43.90371 4.956782  427.3318       88.37395 528.8092       
134.5088 350.2570       117.2255 48.85458 6.557924 38.95284 7.434541 9.901745 
9.913565 
1 1 1 -8  8   31 f 25.51436 9.233935  142.2016       127.4371 142.2016       
127.4371 0.000000       0.000000 25.51436 9.233935 ?        ?        ? ? 
1 1 1 -8  8   32 o 69.88047 3.655259  1043.850       105.5258 1281.712       
168.3078 889.7797       135.4571 76.17866 5.262498 63.58228 5.074424 12.59637 
7.310517 
1 1 1 -8  8   33 o 46.89864 4.622556  509.2622       89.82827 475.0981       
134.9623 536.4338       120.3606 45.08996 7.129414 48.70731 5.885879 -3.617344 
9.245112 
1 1 1 -8  8   34 o 41.63838 5.359497  426.1399       90.83707 387.7617       
133.4817 459.2439       123.9709 39.01511 8.389876 44.26165 6.671341 -5.246532 
10.71899 
1 1 1 -8  8   35 o 78.84903 4.569600  1508.142       142.1930 1374.379       
236.9848 1583.387       177.7428 74.25970 7.601309 83.43837 5.073962 -9.178673 
9.139200 
1 1 1 -8  8   36 o 41.03599 5.568503  453.6473       92.78347 323.1741       
130.2500 588.0627       132.2031 33.20874 9.083117 48.86325 6.444367 -15.65451 
11.13701 
1 1 1 -8  9   1  o 109.8357 1.956679  2532.608       86.91145 2537.472       
143.7859 2529.808       109.0972 109.9117 3.115972 109.7597 2.367509 0.1520081 
3.913359 
1 1 1 -8  9   2  o 488.7545 10.73503  48663.17       942.7195 53379.11       
4371.472 48433.15       965.4360 497.5146 20.92873 479.9944 4.790804 17.52029 
21.47006 
1 1 1 -8  9   3  o 389.0098 11.14846  30941.51       1151.359 34009.39       
3493.198 30567.60       1219.505 397.1112 20.95232 380.9083 7.625777 16.20294 
22.29691 
1 1 1 -8  9   4  o 379.3831 6.357896  29966.95       880.8447 31181.07       
1765.699 29564.68       1016.344 383.9695 10.95320 374.7968 6.459008 9.172607 
12.71579 
1 1 1 -8  9   5  o 264.3055 3.952242  14678.77       438.5596 0.000000       
0.000000 14678.77       438.5596 ?        ?        264.3055 3.952242 ? ? 
1 1 1 -8  9   6  o 174.0771 8.888206  6393.398       649.5829 6393.398       
649.5829 0.000000       0.000000 174.0771 8.888206 ?        ?        ? ? 
1 1 1 -8  9   7  o 329.2002 3.950175  22852.84       452.6169 22694.69       
961.9819 22897.80       512.9399 328.2770 6.979872 330.1233 3.700935 -1.846252 
7.900350 
1 1 1 -8  9   8  o 171.0295 3.065760  6023.507       200.4038 6448.840       
376.1765 5854.956       236.8057 175.1164 5.116652 166.9427 3.378670 8.173706 
6.131520 
1 1 1 -8  9   9  o 187.3121 2.728423  7365.202       197.0928 7392.866       
358.7069 7353.238       235.8912 187.5243 4.556206 187.1000 3.003025 0.4242554 
5.456847 
1 1 1 -8  9   10 o 184.6822 2.757272  7074.104       197.4135 7412.262       
359.6402 6928.270       236.1758 187.7596 4.562334 181.6047 3.097629 6.154907 
5.514544 
1 1 1 -8  9   11 o 311.4814 3.701744  20373.92       409.9769 20486.88       
848.0474 20339.47       468.3419 311.8545 6.477229 311.1084 3.585686 0.7460938 
7.403488 
1 1 1 -8  9   12 o 243.8554 2.921678  12189.71       253.0349 13092.21       
532.7842 11926.85       287.5318 249.4388 5.087547 238.2720 2.874312 11.16678 
5.843356 
1 1 1 -8  9   13 o 170.7350 3.227443  6155.754       224.6927 6032.810       
362.0908 6232.744       286.5346 169.2982 5.094319 172.1718 3.964023 -2.873611 
6.454887 
1 1 1 -8  9   14 o 62.50457 2.511891  815.2859       64.41950 849.3050       
103.5918 793.8353       82.25912 63.55085 3.882621 61.45828 3.188047 2.092571 
5.023782 
1 1 1 -8  9   15 o 178.9182 3.048607  6762.365       219.3653 6647.441       
365.7074 6826.956       274.1652 177.6597 4.903045 180.1768 3.624387 -2.517029 
6.097215 
1 1 1 -8  9   16 o 89.63304 2.055079  1692.285       75.61399 1671.920       
119.9118 1705.729       97.42509 89.17139 3.203005 90.09468 2.575685 
-0.9232864     4.110157 
1 1 1 -8  9   17 o 282.2873 4.735393  16904.93       538.6996 16741.84       
895.1650 16997.53       674.5078 280.8788 7.591109 283.6958 5.663112 -2.817047 
9.470785 
1 1 1 -8  9   18 o 74.56532 2.351934  1125.953       71.67123 1363.662       
119.1653 991.2320       89.71071 80.48770 3.526478 68.64295 3.112930 11.84475 
4.703869 
1 1 1 -8  9   19 o 217.5982 3.298405  10006.18       290.4426 9949.729       
478.6333 10039.08       365.4092 216.9507 5.254881 218.2457 3.987997 -1.294983 
6.596809 
1 1 1 -8  9   20 o 164.9793 2.532907  5713.683       162.3467 5786.550       
292.1486 5681.128       195.2730 165.6290 4.201347 164.3297 2.830396 1.299255 
5.065813 
1 1 1 -8  9   21 o 106.9434 2.313534  2437.007       102.5694 2065.210       
148.4836 2776.342       141.8534 99.01720 3.571815 114.8696 2.941412 -15.85240 
4.627069 
1 1 1 -8  9   22 o 182.8052 2.518567  6947.899       171.4037 7237.578       
333.6910 6844.075       199.7726 185.2171 4.291256 180.3932 2.637770 4.823975 
5.037133 
1 1 1 -8  9   23 o 116.3845 2.703340  2864.496       128.1360 2819.938       
207.3523 2892.025       162.9799 115.5866 4.272895 117.1823 3.312785 -1.595612 
5.406679 
1 1 1 -8  9   24 o 76.84138 2.664749  1194.050       82.84840 1439.816       
141.6642 1066.302       102.1356 82.56472 4.086831 71.11805 3.420725 11.44667 
5.329498 
1 1 1 -8  9   25 o 17.65775 4.825696  14.85479       56.46695 98.54955       
83.64799 -55.21592      76.53756 22.15036 7.525661 13.16515 6.042664 8.985213 
9.651391 
1 1 1 -8  9   26 o 98.51543 2.312313  2073.905       92.69820 1944.860       
148.2604 2156.730       118.7779 95.89066 3.682731 101.1402 2.797260 -5.249535 
4.624627 
1 1 1 -8  9   27 o 93.09310 2.446263  1847.720       94.28286 1741.495       
143.4716 1928.462       125.0839 90.65063 3.769781 95.53558 3.118584 -4.884949 
4.892527 
1 1 1 -8  9   28 o 79.83833 2.651503  1351.339       85.17406 1361.960       
142.6394 1345.453       106.1828 79.95058 4.249512 79.72608 3.172304 0.2245026 
5.303005 
1 1 1 -8  9   29 o 107.0469 2.664974  2423.554       118.5432 2560.981       
183.1143 2324.408       155.5330 109.5495 3.981372 104.5443 3.543590 5.005234 
5.329949 
1 1 1 -8  9   30 o 34.60197 5.140382  274.7935       72.41056 335.4023       
106.7625 223.1619       98.53915 38.32155 6.886232 30.88240 7.633736 7.439152 
10.28076 
1 1 1 -8  9   31 o 63.63195 3.712091  884.8940       97.91376 898.7570       
151.2556 874.8944       128.4617 63.85522 5.642041 63.40868 4.825542 0.4465408 
7.424183 
1 1 1 -8  9   32 o 47.75851 9.631538  573.6564       186.3480 573.6564       
186.3480 0.000000       0.000000 47.75851 9.631538 ?        ?        ? ? 
1 1 1 -8  9   33 o 65.32284 3.982806  971.8184       106.9977 870.1113       
162.5207 1049.629       142.1517 61.75163 6.268757 68.89405 4.914636 -7.142426 
7.965611 
1 1 1 -8  9   34 o 99.07927 3.368191  2177.388       139.9229 2037.331       
193.0496 2332.398       203.0940 95.68086 4.805791 102.4777 4.720510 -6.796814 
6.736382 
1 1 1 -8  9   35 o 58.42906 4.405776  814.8664       104.4496 596.8974       
147.2116 1035.837       148.2218 49.50542 7.082886 67.35271 5.241771 -17.84729 
8.811551 
1 1 1 -8  9   36 o 39.47493 5.661203  430.3429       92.30093 275.1704       
131.3726 581.6122       129.7098 30.20378 9.382232 48.74607 6.338028 -18.54229 
11.32241 
1 1 1 -8  10  1  o 232.0356 4.789851  11267.78       407.3588 11481.06       
808.1729 11195.14       471.6574 233.3230 8.250264 230.7482 4.868659 2.574707 
9.579702 
1 1 1 -8  10  2  o 460.0646 13.53127  45055.29       2237.565 46459.51       
4565.644 44611.41       2566.978 461.8794 23.54477 458.2498 13.34261 3.629639 
27.06255 
1 1 1 -8  10  3  o 404.1909 5.286777  34358.79       897.1324 0.000000       
0.000000 34358.79       897.1324 ?        ?        404.1909 5.286777 ? ? 
1 1 1 -8  10  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  10  5  o 337.8879 7.010645  23783.45       608.8794 24565.57       
1892.840 23693.18       643.0579 340.0547 13.25825 335.7213 4.562389 4.333405 
14.02129 
1 1 1 -8  10  6  o 233.1660 3.555501  11463.17       294.1989 11375.10       
608.3058 11490.06       336.1239 232.4701 6.232697 233.8620 3.423425 -1.391891 
7.111001 
1 1 1 -8  10  7  o 243.7519 3.072702  12365.10       264.4953 12719.10       
555.7079 12261.42       300.7451 245.8971 5.382874 241.6068 2.964903 4.290314 
6.145404 
1 1 1 -8  10  8  o 188.9147 3.313617  7519.769       254.3554 7440.920       
414.6514 7567.338       322.0679 188.0794 5.251253 189.7500 4.042842 -1.670517 
6.627234 
1 1 1 -8  10  9  o 368.2433 5.371076  28354.38       755.7625 29178.13       
1405.521 28019.34       896.3773 371.6341 9.008300 364.8525 5.851870 6.781586 
10.74215 
1 1 1 -8  10  10 o 337.7226 3.537747  23695.13       416.2625 24529.63       
892.6385 23463.23       470.5595 341.2787 6.229991 334.1665 3.354075 7.112274 
7.075494 
1 1 1 -8  10  11 o 224.7102 2.428144  10367.41       176.3005 10996.13       
420.5995 10233.39       194.1828 228.6719 4.381038 220.7485 2.095242 7.923401 
4.856287 
1 1 1 -8  10  12 o 75.02591 2.212209  1185.048       68.35184 1170.961       
107.3625 1194.650       88.63550 74.64285 3.425985 75.40897 2.799663 
-0.7661285     4.424419 
1 1 1 -8  10  13 o 112.1757 2.453918  2655.908       112.7253 2595.121       
179.4546 2695.525       144.8747 111.0936 3.847570 113.2578 3.046810 -2.164192 
4.907836 
1 1 1 -8  10  14 o 189.1412 2.558390  7393.417       180.1085 7801.548       
351.9317 7248.593       209.6426 192.5452 4.353582 185.7372 2.688448 6.807999 
5.116779 
1 1 1 -8  10  15 o 123.7799 2.592215  3249.263       132.2167 3074.833       
204.7586 3374.003       173.1549 120.8809 4.034647 126.6788 3.255756 -5.797882 
5.184431 
1 1 1 -8  10  16 o 281.5270 4.075222  16648.69       422.2442 16911.79       
831.4222 16557.25       490.1604 282.6306 7.006860 280.4234 4.163371 2.207214 
8.150444 
1 1 1 -8  10  17 f 240.7662 4.352090  12286.47       419.7879 12179.77       
706.9825 12344.58       521.7143 239.6787 7.025873 241.8538 5.138081 -2.175064 
8.704181 
1 1 1 -8  10  18 o 67.55550 2.486410  971.3009       69.02705 905.2239       
107.2764 1017.989       90.17393 65.55087 3.898045 69.56012 3.087747 -4.009254 
4.972820 
1 1 1 -8  10  19 o 61.28808 2.658427  794.2822       67.64285 771.3434       
102.8448 811.7706       89.79960 60.48719 4.049860 62.08897 3.444934 -1.601788 
5.316854 
1 1 1 -8  10  20 f 162.0504 2.326470  5579.492       154.5341 5282.585       
243.1382 5780.721       200.1648 158.3436 3.657412 165.7572 2.876315 -7.413620 
4.652940 
1 1 1 -8  10  21 o 184.1176 2.634386  7060.026       183.3562 7332.950       
348.0063 6955.149       215.7278 186.4067 4.446791 181.8286 2.825954 4.578079 
5.268773 
1 1 1 -8  10  22 o 142.4866 2.345199  4229.734       130.6322 4398.147       
233.8913 4153.381       157.4843 144.4500 3.856715 140.5233 2.669379 3.926743 
4.690398 
1 1 1 -8  10  23 o 66.16071 2.748460  917.9025       75.30964 954.4308       
117.4954 892.4316       98.11360 67.24899 4.161561 65.07243 3.591313 2.176559 
5.496919 
1 1 1 -8  10  24 o 84.01535 2.567416  1489.952       88.07999 1485.946       
142.0274 1492.455       112.2791 83.87416 4.033340 84.15653 3.177841 
-0.2823715     5.134833 
1 1 1 -8  10  25 o 48.75065 3.402474  504.7551       68.17093 502.6402       
107.8870 506.1608       87.95435 48.61050 5.286402 48.89080 4.285004 
-0.2803078     6.804947 
1 1 1 -8  10  26 o 116.5750 2.354660  2901.716       113.5160 2661.643       
171.8570 3087.527       151.1926 112.1777 3.649065 120.9722 2.976913 -8.794456 
4.709319 
1 1 1 -8  10  27 o 19.34112 4.657529  -14.44545      53.90735 182.3806       
97.38096 -101.4110      64.73013 28.42628 7.887350 10.25595 4.955805 18.17033 
9.315058 
1 1 1 -8  10  28 o 78.30028 2.399117  1313.155       77.35556 1222.246       
119.3446 1379.019       101.5837 75.85558 3.747454 80.74498 2.996605 -4.889404 
4.798234 
1 1 1 -8  10  29 o 28.29485 5.630287  156.6687       71.50323 297.1892       
120.9711 81.21262       88.64602 35.72768 8.229145 20.86201 7.686461 14.86566 
11.26057 
1 1 1 -8  10  30 o 45.59111 4.130912  434.1348       77.02367 560.4688       
127.7523 361.9849       96.54433 50.49273 6.026444 40.68950 5.651523 9.803230 
8.261824 
1 1 1 -8  10  31 o 49.32096 3.752109  529.7991       77.34280 605.0084       
114.2024 466.0771       105.1197 52.58518 5.172885 46.05673 5.436409 6.528450 
7.504218 
1 1 1 -8  10  32 o 42.29290 4.976752  408.4963       83.29511 440.6978       
138.0414 390.0585       104.4540 42.85125 7.970798 41.73455 5.961428 1.116699 
9.953504 
1 1 1 -8  10  33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  10  34 o 21.54828 6.057162  83.48116       86.16646 10.00204       
130.5520 140.1969       114.6973 18.95417 8.369867 24.14240 8.757978 -5.188227 
12.11432 
1 1 1 -8  10  35 o 46.16028 5.322561  545.6296       96.25463 388.3059       
139.8019 687.4244       132.7230 37.93879 8.917709 54.38177 5.813182 -16.44298 
10.64512 
1 1 1 -8  10  36 o 46.77460 5.706695  613.3442       105.0661 268.3747       
146.2549 981.2173       151.0320 29.18710 9.951122 64.36211 5.589331 -35.17501 
11.41339 
1 1 1 -8  11  1  o 236.2599 7.575959  11769.58       751.4613 0.000000       
0.000000 11769.58       751.4613 ?        ?        236.2599 7.575959 ? ? 
1 1 1 -8  11  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  11  3  o 202.3209 7.937128  8633.461       674.1911 8633.461       
674.1911 0.000000       0.000000 202.3209 7.937128 ?        ?        ? ? 
1 1 1 -8  11  4  o 173.0734 2.766775  6182.184       163.7131 6490.935       
361.6310 6102.596       183.6050 175.6857 4.902869 170.4611 2.565549 5.224640 
5.533549 
1 1 1 -8  11  5  o 505.6715 8.579773  53105.06       1393.022 56129.46       
3339.049 52467.75       1532.784 512.4152 15.52108 498.9279 7.317524 13.48727 
17.15955 
1 1 1 -8  11  6  o 182.2834 3.591509  6793.556       236.5660 7374.801       
486.8466 6613.897       270.6686 187.1556 6.195985 177.4113 3.633940 9.744339 
7.183018 
1 1 1 -8  11  7  o 82.10770 2.100348  1428.006       69.75827 1371.111       
114.0559 1462.008       88.17260 80.78201 3.362981 83.43340 2.517183 -2.651390 
4.200696 
1 1 1 -8  11  8  o 204.1089 3.522295  8468.720       267.7719 9403.829       
528.7427 8146.163       310.5393 211.3407 5.959124 196.8772 3.757007 14.46342 
7.044591 
1 1 1 -8  11  9  o 83.93686 2.320488  1483.789       78.79188 1467.479       
129.8244 1493.300       99.13799 83.55998 3.700659 84.31374 2.800676 
-0.7537537     4.640976 
1 1 1 -8  11  10 o 299.4649 4.744171  18886.63       565.3820 18965.24       
969.2036 18846.07       696.0920 299.7346 7.701922 299.1952 5.541573 0.5394287 
9.488342 
1 1 1 -8  11  11 o 55.19731 2.611666  646.5483       59.69054 598.4019       
90.27808 683.9446       79.56377 53.34681 4.030834 57.04782 3.321983 -3.701008 
5.223332 
1 1 1 -8  11  12 o 170.1458 2.387163  5836.088       142.4942 6542.283       
308.3606 5644.343       160.6788 176.3654 4.164535 163.9261 2.334703 12.43936 
4.774325 
1 1 1 -8  11  13 o 40.97503 3.284036  336.4720       54.98649 469.6878       
88.79786 253.6217       70.02794 47.24188 4.477095 34.70817 4.805745 12.53371 
6.568071 
1 1 1 -8  11  14 f 81.95029 2.211539  1407.334       73.38769 1428.458       
121.4141 1395.174       92.12040 82.41836 3.508861 81.48221 2.692862 0.9361496 
4.423077 
1 1 1 -8  11  15 o 39.38315 3.467792  336.0443       55.20739 287.9389       
87.18191 368.2481       71.33175 36.93962 5.621535 41.82668 4.062100 -4.887051 
6.935583 
1 1 1 -8  11  16 o 85.45824 2.051792  1532.675       71.71267 1548.003       
115.5368 1523.069       91.46381 85.78996 3.207782 85.12652 2.559208 0.6634445 
4.103585 
1 1 1 -8  11  17 o 173.9821 2.691970  6434.051       193.1138 6029.647       
297.5316 6728.425       253.8488 169.1558 4.189550 178.8085 3.381490 -9.652725 
5.383940 
1 1 1 -8  11  18 o 41.69043 3.178268  380.3049       53.47909 301.8665       
82.27451 437.6929       70.37395 37.79497 5.185043 45.58588 3.677076 -7.790909 
6.356537 
1 1 1 -8  11  19 o 273.3616 4.845416  15956.97       533.0219 15631.11       
885.6909 16142.01       667.4156 270.6587 7.794373 276.0644 5.758469 -5.405701 
9.690831 
1 1 1 -8  11  20 o 79.91405 2.410822  1341.307       79.06363 1361.491       
126.3149 1328.305       101.3788 80.38110 3.743017 79.44700 3.039419 0.9341049 
4.821643 
1 1 1 -8  11  21 o 174.2414 2.578179  6448.404       176.1666 6247.423       
308.0536 6546.073       214.7471 172.0930 4.263676 176.3899 2.899845 -4.296890 
5.156359 
1 1 1 -8  11  22 o 176.4570 2.771795  6529.906       188.1322 6651.530       
345.0630 6478.461       224.4215 177.4688 4.631242 175.4453 3.046800 2.023529 
5.543590 
1 1 1 -8  11  23 o 81.38763 2.564185  1406.508       86.04759 1339.487       
133.2344 1454.466       112.7050 79.67662 3.982967 83.09865 3.230505 -3.422028 
5.128370 
1 1 1 -8  11  24 o 142.8019 2.749005  4310.750       159.5850 4290.320       
260.1372 4323.079       202.0774 142.4217 4.350582 143.1822 3.361630 
-0.7604828     5.498011 
1 1 1 -8  11  25 o 87.15031 2.501065  1602.137       88.99548 1613.335       
143.8815 1595.198       113.2605 87.33464 3.924095 86.96600 3.102061 0.3686447 
5.002130 
1 1 1 -8  11  26 o 26.80283 5.437870  153.1007       63.88054 202.1560       
101.3153 120.7302       82.30129 29.94459 7.931445 23.66107 7.441364 6.283518 
10.87574 
1 1 1 -8  11  27 o 98.33824 2.420947  2047.199       97.30649 2044.954       
156.5370 2048.614       124.2233 98.20152 3.796818 98.47496 3.004681 
-0.2734451     4.841894 
1 1 1 -8  11  28 o 95.88007 2.758503  1985.735       108.5062 1790.004       
167.4372 2127.446       142.4703 91.58886 4.354421 100.1713 3.387679 -8.582405 
5.517005 
1 1 1 -8  11  29 o 107.2717 3.325078  2485.721       139.3037 2438.437       
245.6237 2508.142       169.1361 106.0432 5.517072 108.5002 3.713015 -2.457069 
6.650155 
1 1 1 -8  11  30 o 18.57623 5.472565  30.15038       70.44373 -20.41775      
120.3317 56.51631       86.88868 18.06074 7.997687 19.09172 7.472139 -1.030981 
10.94513 
1 1 1 -8  11  31 o 95.73961 2.670071  1976.170       106.8444 1815.726       
153.7672 2125.947       148.5683 91.84342 3.987832 99.63580 3.551663 -7.792381 
5.340142 
1 1 1 -8  11  32 o 41.54334 4.831718  404.2318       80.47469 360.4791       
121.8400 438.0897       107.1809 38.77839 7.757861 44.30829 5.761736 -5.529896 
9.663437 
1 1 1 -8  11  33 o 55.29601 4.120335  685.6025       93.10569 711.8987       
150.6673 669.3574       118.4230 55.71625 6.441073 54.87577 5.140157 0.8404808 
8.240670 
1 1 1 -8  11  34 o 92.30788 5.120445  2056.880       167.9756 1959.246       
333.4267 2090.088       194.4548 87.67823 9.057945 96.93752 4.778018 -9.259293 
10.24089 
1 1 1 -8  11  35 o 20.33834 5.992987  59.15299       86.79971 125.7995       
127.9046 2.257199       118.1782 23.07017 9.057899 17.60651 7.849716 5.463655 
11.98597 
1 1 1 -8  11  36 o 22.10304 6.270028  123.4146       88.46419 130.2976       
128.9041 117.2868       121.6273 22.45601 9.000250 21.75007 8.732039 0.7059345 
12.54006 
1 1 1 -8  12  1  o 37.89635 8.028288  314.8296       123.8307 314.8296       
123.8307 0.000000       0.000000 37.89635 8.028288 ?        ?        ? ? 
1 1 1 -8  12  2  o 236.7045 7.490258  11559.16       699.1159 12804.54       
1247.714 10989.23       844.0596 245.3903 12.11096 228.0188 8.817055 17.37149 
14.98052 
1 1 1 -8  12  3  o 124.2540 3.980660  3206.723       155.6824 3315.548       
381.4274 3184.970       170.5340 125.3898 7.245540 123.1182 3.299207 2.271584 
7.961320 
1 1 1 -8  12  4  o 270.8828 4.573305  15029.53       368.8623 16077.06       
975.4465 14854.74       398.4489 275.8964 8.421287 265.8692 3.569651 10.02722 
9.146610 
1 1 1 -8  12  5  o 176.6747 3.724632  6334.244       222.9246 6969.050       
503.9909 6179.838       248.5617 181.8598 6.600959 171.4897 3.452371 10.37013 
7.449264 
1 1 1 -8  12  6  o 234.1991 3.676354  11286.37       277.2443 11942.88       
663.7552 11147.62       305.1371 238.0557 6.641260 230.3425 3.155309 7.713135 
7.352708 
1 1 1 -8  12  7  o 140.8149 2.248565  4196.313       128.9432 4039.558       
207.4975 4294.926       164.5781 138.6404 3.564874 142.9894 2.741505 -4.349030 
4.497130 
1 1 1 -8  12  8  o 187.7685 3.174663  7443.832       239.0932 7318.025       
401.0069 7513.225       297.8195 186.4784 5.122058 189.0587 3.752128 -2.580322 
6.349326 
1 1 1 -8  12  9  o 268.8513 3.568902  15138.79       358.9484 15373.88       
689.2635 15051.31       420.4638 270.1212 6.077817 267.5813 3.742777 2.539978 
7.137804 
1 1 1 -8  12  10 o 156.9169 2.677175  5229.665       169.8033 4975.524       
277.3831 5381.981       214.7418 153.8019 4.295755 160.0319 3.196178 -6.230057 
5.354350 
1 1 1 -8  12  11 o 69.72102 2.367108  1037.591       68.19112 860.2968       
99.09930 1197.034       93.97800 63.96666 3.690099 75.47536 2.965801 -11.50870 
4.734216 
1 1 1 -8  12  12 o 111.7749 2.425798  2607.898       109.9821 2698.358       
182.0192 2555.879       138.0285 113.2699 3.827575 110.2799 2.981215 2.990013 
4.851595 
1 1 1 -8  12  13 o 234.8130 2.934650  11615.66       261.0898 11573.42       
488.7549 11632.53       308.8498 234.3884 4.966794 235.2377 3.127241 
-0.8492737     5.869299 
1 1 1 -8  12  14 o 72.08917 2.110355  1104.385       63.08961 995.8264       
93.93488 1193.597       85.15432 68.81691 3.251268 75.36144 2.691402 -6.544533 
4.220710 
1 1 1 -8  12  15 o 108.5696 1.944422  2486.746       86.77969 2433.001       
136.6966 2523.029       112.3146 107.5674 3.026900 109.5717 2.441512 -2.004303 
3.888844 
1 1 1 -8  12  16 o 210.7363 2.581482  9416.732       215.9746 9135.942       
368.8328 9563.249       266.4290 208.2296 4.218987 213.2431 2.975963 -5.013519 
5.162964 
1 1 1 -8  12  17 o 39.12473 3.464807  313.8394       56.07704 386.2081       
88.74743 265.7415       72.35070 42.76892 4.942522 35.48055 4.857060 7.288372 
6.929615 
1 1 1 -8  12  18 o 140.6895 2.885708  4152.354       166.0816 4264.938       
268.4266 4082.524       211.4048 142.1611 4.497444 139.2178 3.616939 2.943344 
5.771417 
1 1 1 -8  12  19 o 227.2612 3.293029  10953.47       302.8636 10726.66       
497.0328 11087.41       381.9665 225.1969 5.257068 229.3254 3.967292 -4.128448 
6.586059 
1 1 1 -8  12  20 o 117.4717 2.557877  2923.719       122.6440 2833.821       
196.5219 2981.066       156.9611 115.9333 4.037605 119.0100 3.141445 -3.076714 
5.115753 
1 1 1 -8  12  21 o 150.8613 1.999632  4783.416       118.0782 4800.527       
209.1341 4775.409       143.0624 150.9999 3.298901 150.7226 2.260832 0.2772827 
3.999264 
1 1 1 -8  12  22 o 112.4085 2.594133  2674.312       120.1118 2602.173       
187.7361 2724.304       156.2838 111.0745 4.025820 113.7425 3.272746 -2.667946 
5.188265 
1 1 1 -8  12  23 o 199.2175 3.629296  8419.336       295.3081 8353.450       
475.1080 8460.815       376.9730 198.3696 5.704773 200.0655 4.488063 -1.695984 
7.258592 
1 1 1 -8  12  24 o 76.96985 2.580084  1241.591       80.92115 1288.058       
132.4404 1213.909       102.2209 78.06143 4.041150 75.87827 3.208806 2.183167 
5.160168 
1 1 1 -8  12  25 o 125.2048 2.328737  3342.819       119.2548 3151.681       
188.4896 3470.400       153.9947 122.1037 3.676882 128.3059 2.858778 -6.202156 
4.657475 
1 1 1 -8  12  26 f 53.55127 3.112701  604.9872       69.19460 636.0373       
107.2336 582.8352       90.57421 54.68104 4.671058 52.42150 4.115439 2.259541 
6.225401 
1 1 1 -8  12  27 o 61.11515 3.010005  808.5032       75.70179 701.6766       
114.0271 892.6955       101.2290 57.34593 4.736161 64.88438 3.716085 -7.538448 
6.020009 
1 1 1 -8  12  28 o 56.56053 3.737165  705.1237       82.32185 641.1398       
142.7856 736.9816       100.7528 54.31025 6.262152 58.81081 4.080572 -4.500565 
7.474330 
1 1 1 -8  12  29 o 36.91199 5.208966  302.0110       75.38767 353.8660       
126.8633 273.7036       93.73252 39.07457 8.009004 34.74941 6.662519 4.325153 
10.41793 
1 1 1 -8  12  30 o 17.91893 5.456917  6.562898       71.22821 21.01761       
120.8086 -1.139388      88.18663 19.61635 8.351764 16.22152 7.025654 3.394835 
10.91383 
1 1 1 -8  12  31 o 71.98344 3.144971  1128.043       91.93392 1100.568       
149.1243 1144.887       116.7621 70.97398 5.004610 72.99291 3.810151 -2.018929 
6.289942 
1 1 1 -8  12  32 o 44.12800 4.659556  445.3390       81.34843 603.3093       
120.3861 312.5968       110.3553 52.11150 5.502550 36.14451 7.521157 15.96699 
9.319113 
1 1 1 -8  12  33 o 18.34935 5.503326  29.94234       73.59449 30.13853       
107.3953 29.76864       101.0508 18.55703 7.886824 18.14167 7.677525 0.4153652 
11.00665 
1 1 1 -8  12  34 o 80.20842 2.907669  1408.421       97.66476 1440.926       
143.9494 1380.697       132.9438 80.96078 4.235029 79.45605 3.985310 1.504730 
5.815339 
1 1 1 -8  12  35 o 22.96188 5.844804  95.78497       85.77318 -50.96541      
120.9464 244.2720       121.6599 16.13116 7.479018 29.79261 8.983943 -13.66145 
11.68961 
1 1 1 -8  12  36 o 23.20556 7.016364  123.2803       109.8128 95.22855       
128.1514 200.7957       213.0285 20.89677 8.734269 25.51436 10.98317 -4.617592 
14.03273 
1 1 1 -8  13  1  o 192.5925 5.328819  7736.534       364.8351 8020.047       
760.0138 7651.640       415.8859 194.5452 9.305121 190.6398 5.196151 3.905426 
10.65764 
1 1 1 -8  13  2  o 151.3119 4.520782  4643.752       208.5171 5098.048       
539.1207 4563.838       226.1144 155.2792 8.269774 147.3446 3.655234 7.934647 
9.041565 
1 1 1 -8  13  3  o 50.14114 3.694372  558.5416       65.94900 473.5284       
130.0415 587.9764       76.51897 47.39042 6.536006 52.89185 3.445890 -5.501431 
7.388744 
1 1 1 -8  13  4  o 166.9787 4.359047  5553.372       193.2994 6303.477       
592.9528 5464.177       204.4692 172.6945 8.178291 161.2629 3.020052 11.43159 
8.718094 
1 1 1 -8  13  5  o 191.9772 4.105614  7583.855       275.2013 8089.396       
592.4451 7444.758       310.7639 195.7826 7.207675 188.1719 3.933660 7.610641 
8.211227 
1 1 1 -8  13  6  o 179.3150 3.342302  6738.972       235.6502 6840.839       
414.9600 6690.482       286.2936 180.2391 5.483758 178.3910 3.822608 1.848068 
6.684605 
1 1 1 -8  13  7  o 163.7613 2.257573  5597.573       146.4022 5749.879       
254.9862 5522.674       178.8129 165.3828 3.672377 162.1397 2.626822 3.243164 
4.515146 
1 1 1 -8  13  8  o 76.65308 2.125143  1223.135       67.45931 1302.248       
105.7612 1168.872       87.59081 78.71806 3.200170 74.58809 2.797114 4.129967 
4.250286 
1 1 1 -8  13  9  o 88.85125 2.171204  1595.651       77.45304 1873.059       
134.5106 1458.050       94.73440 94.39683 3.394064 83.30567 2.708658 11.09116 
4.342407 
1 1 1 -8  13  10 o 82.43320 1.992650  1429.070       68.61646 1415.549       
102.0334 1440.233       92.71165 82.07265 2.961181 82.79375 2.667214 
-0.7210922     3.985301 
1 1 1 -8  13  11 o 30.27094 4.351126  198.4193       52.82903 212.7144       
81.96417 188.2604       69.09619 31.16590 6.479377 29.37599 5.809206 1.789911 
8.702252 
1 1 1 -8  13  12 o 110.3230 2.226656  2572.405       102.1608 2448.428       
153.3147 2671.416       137.0105 107.9067 3.384204 112.7392 2.894676 -4.832497 
4.453311 
1 1 1 -8  13  13 o 101.5517 2.026168  2158.952       84.87453 2214.327       
133.8503 2121.713       109.7633 102.6243 3.106636 100.4791 2.601969 2.145149 
4.052336 
1 1 1 -8  13  14 o 95.09565 1.935029  1895.931       75.99629 1928.472       
119.1503 1873.614       98.67258 95.77042 2.963363 94.42088 2.489141 1.349533 
3.870057 
1 1 1 -8  13  15 o 34.55170 3.717036  268.5806       49.85271 199.6499       
76.54394 319.3598       65.69730 30.16376 6.254290 38.93964 4.018618 -8.775877 
7.434072 
1 1 1 -8  13  16 o 161.1599 2.736090  5462.704       175.3499 5497.020       
301.2285 5445.115       215.6544 161.4532 4.443965 160.8667 3.193106 0.5865021 
5.472180 
1 1 1 -8  13  17 o 109.6313 2.192029  2537.627       98.18163 2492.113       
157.4960 2566.557       125.5664 108.7927 3.448189 110.4699 2.707388 -1.677238 
4.384058 
1 1 1 -8  13  18 o 31.27263 4.446671  244.4255       57.34843 84.02335       
90.11765 353.5935       74.34510 21.60770 7.770474 40.93755 4.325652 -19.32985 
8.893342 
1 1 1 -8  13  19 f 275.5576 4.596889  16034.39       487.6693 16347.49       
892.4141 15901.08       582.3024 276.8446 7.678058 274.2705 5.056973 2.574127 
9.193778 
1 1 1 -8  13  20 o 87.14417 2.306682  1613.974       82.40999 1523.802       
129.4876 1675.362       106.8410 85.04941 3.626419 89.23893 2.851704 -4.189522 
4.613365 
1 1 1 -8  13  21 o 21.78116 5.103715  91.43034       59.69295 11.39110       
93.48766 146.5233       77.56236 17.74916 7.441692 25.81317 6.986620 -8.064003 
10.20743 
1 1 1 -8  13  22 o 137.6647 2.658121  3983.979       145.9085 4033.104       
249.6072 3958.479       179.8329 138.2146 4.301543 137.1147 3.123965 1.099884 
5.316242 
1 1 1 -8  13  23 o 34.23142 4.464965  233.9948       64.39006 505.6527       
103.3655 61.73165       82.31150 48.84766 5.040258 19.61518 7.371529 29.23248 
8.929930 
1 1 1 -8  13  24 o 98.23308 2.199855  2032.374       87.85596 2043.597       
143.5707 2025.655       111.0824 98.39599 3.475439 98.07018 2.697922 0.3258133 
4.399711 
1 1 1 -8  13  25 o 84.52354 2.214657  1507.712       77.45976 1507.873       
120.1349 1507.597       101.3375 84.48928 3.386793 84.55779 2.854551 
-0.6851196E-01 4.429314 
1 1 1 -8  13  26 o 35.82336 4.521540  266.6943       64.87598 400.5318       
104.0592 181.5953       82.97632 43.22892 5.733600 28.41781 6.993078 14.81111 
9.043080 
1 1 1 -8  13  27 o 63.60120 3.233467  876.2931       83.89326 799.1828       
132.0169 928.5248       108.6528 61.08285 5.147916 66.11954 3.914101 -5.036694 
6.466933 
1 1 1 -8  13  28 o 72.12126 3.208954  1104.185       94.21531 1149.862       
154.5740 1077.185       118.8426 73.13956 5.033907 71.10297 3.981122 2.036598 
6.417909 
1 1 1 -8  13  29 o 29.38000 5.891270  204.0599       74.88874 180.9518       
125.2614 216.9141       93.42400 28.14003 9.209276 30.61997 7.349659 -2.479939 
11.78254 
1 1 1 -8  13  30 o 75.33378 3.161964  1242.561       96.29896 1152.528       
155.6226 1298.427       122.5879 72.78448 5.092781 77.88308 3.749088 -5.098602 
6.323929 
1 1 1 -8  13  31 o 45.54416 4.530722  419.3354       79.99023 682.6477       
141.5746 295.8620       96.94748 55.33546 6.094007 35.75285 6.706181 19.58262 
9.061444 
1 1 1 -8  13  32 o 60.44172 3.352705  807.2338       83.34125 764.5836       
129.4346 837.4388       108.9256 58.78026 5.244935 62.10317 4.177700 -3.322906 
6.705410 
1 1 1 -8  13  33 o 85.50066 2.774828  1584.157       99.45126 1677.219       
145.6406 1502.853       136.1311 87.82738 3.949786 83.17393 3.898444 4.653442 
5.549655 
1 1 1 -8  13  34 o 49.81985 4.019106  568.3414       83.60077 518.2209       
120.1927 615.3157       116.3592 47.42978 6.035981 52.20992 5.308463 -4.780132 
8.038212 
1 1 1 -8  13  35 o 34.88990 5.565483  316.6393       79.56248 298.3049       
116.0463 332.9019       109.2937 33.53181 8.281414 36.24798 7.437511 -2.716171 
11.13097 
1 1 1 -8  13  36 o 23.19774 6.322743  142.9133       89.80289 86.54832       
126.5603 200.0694       127.4453 20.46760 8.623505 25.92788 9.248972 -5.460278 
12.64549 
1 1 1 -8  14  1  o 252.6333 7.295098  13249.25       667.3920 14273.42       
1363.871 12926.80       765.2744 258.0168 12.59060 247.2497 7.372290 10.76712 
14.59020 
1 1 1 -8  14  2  o 32.23775 5.451767  242.8334       67.78883 166.9233       
135.2088 268.3213       78.34717 28.78638 9.567962 35.68912 5.228878 -6.902740 
10.90353 
1 1 1 -8  14  3  o 234.1188 5.574268  11579.85       289.4735 11614.56       
1051.206 11577.01       301.1154 233.5349 10.72154 234.7027 3.055877 -1.167831 
11.14854 
1 1 1 -8  14  4  o 142.9760 4.189178  4184.084       173.6777 4486.539       
474.2799 4137.245       186.6420 145.6511 7.756075 140.3009 3.168619 5.350235 
8.378356 
1 1 1 -8  14  5  o 21.51063 4.650868  43.97264       51.19616 201.5242       
93.01472 -24.50210      61.32047 30.27905 7.375024 12.74220 5.668449 17.53685 
9.301736 
1 1 1 -8  14  6  o 138.7252 2.728531  3970.196       143.2849 4225.609       
272.9691 3873.055       168.3415 141.6926 4.588676 135.7578 2.953572 5.934784 
5.457063 
1 1 1 -8  14  7  o 97.26251 2.217528  1891.371       83.09025 2232.102       
156.9743 1758.744       97.93530 103.0304 3.628977 91.49462 2.549557 11.53579 
4.435055 
1 1 1 -8  14  8  o 97.06174 2.092974  1977.153       84.38171 1998.901       
129.4268 1961.074       111.2849 97.51737 3.161283 96.60611 2.743802 0.9112625 
4.185948 
1 1 1 -8  14  9  o 115.2682 2.467376  2804.577       118.3164 2709.187       
178.1528 2879.852       158.2578 113.4934 3.738895 117.0430 3.220628 -3.549652 
4.934752 
1 1 1 -8  14  10 f 89.72817 1.997928  1703.611       74.41249 1606.613       
112.2099 1779.753       99.41782 87.42374 3.057192 92.03260 2.573023 -4.608856 
3.995857 
1 1 1 -8  14  11 o 121.0122 1.954029  3075.124       94.56345 3086.477       
160.4749 3069.085       117.0435 121.1608 3.154758 120.8636 2.306603 0.2971878 
3.908058 
1 1 1 -8  14  12 o 90.16552 2.239745  1676.846       81.31334 1823.118       
138.3915 1599.724       100.4885 93.09141 3.540959 87.23963 2.743618 5.851776 
4.479490 
1 1 1 -8  14  13 o 266.4417 4.415098  14834.95       451.4124 15453.02       
835.5457 14580.19       536.4393 269.9272 7.373008 262.9561 4.859128 6.971039 
8.830196 
1 1 1 -8  14  14 o 105.8549 2.377912  2359.573       103.2718 2349.240       
164.3379 2366.316       132.7605 105.6364 3.705487 106.0735 2.981144 
-0.4370804     4.755823 
1 1 1 -8  14  15 o 120.3438 2.362149  3067.648       117.9511 2906.702       
178.3911 3192.664       157.2229 117.4944 3.616405 123.1932 3.039837 -5.698761 
4.724298 
1 1 1 -8  14  16 o 99.38053 2.090321  2062.638       85.50523 2153.261       
136.2721 2003.791       109.8123 101.1482 3.209001 97.61287 2.679569 3.535324 
4.180643 
1 1 1 -8  14  17 o 129.2785 2.722445  3549.508       143.7661 3400.735       
229.1376 3646.097       184.6282 126.9634 4.298717 131.5935 3.341834 -4.630035 
5.444890 
1 1 1 -8  14  18 o 138.6304 1.955256  4001.892       107.1554 4163.462       
187.8114 3923.912       130.4762 140.6370 3.180851 136.6238 2.274708 4.013184 
3.910512 
1 1 1 -8  14  19 o 236.7854 3.223686  11816.61       283.8041 11876.01       
548.6249 11794.91       331.6230 236.8850 5.516441 236.6858 3.337286 0.1992340 
6.447372 
1 1 1 -8  14  20 o 113.4161 2.236238  2697.727       103.1998 2747.427       
168.8303 2668.079       130.3970 114.2100 3.521010 112.6222 2.757813 1.587822 
4.472476 
1 1 1 -8  14  21 o 95.88319 2.178345  1917.120       85.62630 2017.496       
138.3141 1854.746       109.0316 97.87340 3.366067 93.89299 2.765924 3.980408 
4.356690 
1 1 1 -8  14  22 o 132.6958 2.300872  3714.411       122.2997 3692.794       
206.2694 3726.131       151.8748 132.3265 3.712865 133.0652 2.718581 
-0.7387238     4.601744 
1 1 1 -8  14  23 o 99.68661 2.477463  2104.506       102.4506 2041.827       
156.1953 2151.834       135.7256 98.33766 3.783286 101.0356 3.199694 -2.697891 
4.954927 
1 1 1 -8  14  24 o 132.5029 2.600509  3735.670       143.5627 3435.302       
210.8777 3995.136       195.9949 127.4392 3.941383 137.5667 3.393537 -10.12746 
5.201019 
1 1 1 -8  14  25 o 47.68468 3.474287  477.5018       68.49223 520.0098       
108.3899 449.2451       88.37192 49.38461 5.227793 45.98474 4.577429 3.399872 
6.948574 
1 1 1 -8  14  26 o 52.42362 3.137593  568.5319       68.05306 688.2355       
107.9034 489.4704       87.69286 56.86659 4.519589 47.98066 4.353304 8.885929 
6.275185 
1 1 1 -8  14  27 o 56.50137 2.992240  686.0880       70.23441 624.6055       
104.0882 737.4792       95.16360 54.08574 4.583950 58.91700 3.847258 -4.831264 
5.984479 
1 1 1 -8  14  28 o 83.95926 2.900236  1519.414       99.19302 1439.508       
158.5346 1570.820       127.1584 81.94534 4.608089 85.97317 3.522924 -4.027824 
5.800472 
1 1 1 -8  14  29 o 78.05475 2.841652  1245.871       87.71201 1478.247       
157.5773 1141.551       105.5802 82.88955 4.528088 73.21996 3.434585 9.669594 
5.683305 
1 1 1 -8  14  30 o 63.48525 3.329506  866.6160       86.52575 904.2208       
139.8778 843.3082       110.1227 64.38535 5.174671 62.58516 4.191088 1.800182 
6.659012 
1 1 1 -8  14  31 o 21.66378 5.805481  87.95569       71.44717 110.4852       
113.3820 73.11763       92.01453 23.19779 8.664718 20.12977 7.728978 3.068027 
11.61096 
1 1 1 -8  14  32 o 31.66276 5.738466  254.6501       78.60559 180.9942       
119.8671 310.2238       104.1192 27.15964 9.008798 36.16588 7.110663 -9.006245 
11.47693 
1 1 1 -8  14  33 o 18.41871 5.282423  39.26688       66.76699 93.83447       
94.16260 -15.90800      94.68512 21.09210 7.892681 15.74533 7.022929 5.346775 
10.56485 
1 1 1 -8  14  34 o 25.25523 6.068992  161.7760       77.75596 131.9846       
113.7662 187.8925       106.5183 23.53863 8.701723 26.97184 8.462308 -3.433207 
12.13798 
1 1 1 -8  14  35 o 66.31152 3.187161  983.8534       88.45606 1022.844       
131.2272 951.3843       119.7506 67.38572 4.638494 65.23732 4.372226 2.148399 
6.374322 
1 1 1 -8  14  36 f 46.20594 4.651345  547.2821       82.15339 361.9517       
118.2141 720.3978       114.2521 36.56122 7.924533 55.85066 4.872556 -19.28944 
9.302690 
1 1 1 -8  15  1  o 190.5833 6.009439  7315.761       397.7265 8449.837       
877.2680 7022.349       446.2206 198.7872 10.51150 182.3795 5.827667 16.40779 
12.01888 
1 1 1 -8  15  2  o 156.8534 4.570281  4721.485       206.9508 5887.429       
588.0510 4556.667       221.0947 166.5255 8.411146 147.1812 3.578056 19.34433 
9.140561 
1 1 1 -8  15  3  f 194.2869 4.891881  7531.888       174.1902 8501.641       
798.7954 7483.471       178.4856 199.8376 9.520932 188.7362 2.252522 11.10136 
9.783762 
1 1 1 -8  15  4  o 117.9057 3.640493  2799.607       133.4233 3127.990       
338.1696 2739.065       145.2027 121.6625 6.620623 114.1489 3.029869 7.513557 
7.280986 
1 1 1 -8  15  5  o 38.48545 3.568654  281.0519       54.53204 421.6681       
98.57670 219.0441       65.46053 44.72527 5.249795 32.24563 4.835370 12.47964 
7.137307 
1 1 1 -8  15  6  o 251.6221 3.043794  13184.49       256.9782 13568.93       
579.1157 13090.22       286.7566 253.6695 5.437736 249.5746 2.736744 4.094910 
6.087589 
1 1 1 -8  15  7  o 57.96000 2.492681  713.5691       59.66852 663.1866       
91.19671 751.2812       78.90060 56.14187 3.869130 59.77812 3.143831 -3.636250 
4.985363 
1 1 1 -8  15  8  o 46.89436 2.856816  460.7291       55.54713 475.9379       
86.19073 449.9249       72.64560 47.54453 4.317985 46.24419 3.741737 1.300339 
5.713632 
1 1 1 -8  15  9  o 68.65950 2.369106  970.9078       66.96807 1093.672       
108.0215 894.2695       85.34879 72.10299 3.568436 65.21600 3.117197 6.886986 
4.738212 
1 1 1 -8  15  10 o 345.5051 5.112246  24980.15       678.1630 26064.21       
1254.266 24532.33       806.1611 350.1122 8.533034 340.8980 5.632723 9.214142 
10.22449 
1 1 1 -8  15  11 o 20.45569 4.860200  72.39766       50.49648 126.4803       
79.17828 35.31950       65.55959 24.28179 7.232656 16.62958 6.494220 7.652206 
9.720401 
1 1 1 -8  15  12 o 93.37154 2.040597  1820.680       78.09090 1889.995       
125.8721 1777.307       99.56934 94.79056 3.162900 91.95251 2.579189 2.838051 
4.081195 
1 1 1 -8  15  13 f 233.1718 2.796013  11500.29       260.0376 11296.82       
441.2260 11608.57       321.8781 231.4577 4.540572 234.8859 3.264041 -3.428238 
5.592026 
1 1 1 -8  15  14 o 156.5208 2.400463  5067.069       143.4528 5372.537       
269.1084 4945.810       169.5513 159.6734 4.014356 153.3683 2.633217 6.305099 
4.800925 
1 1 1 -8  15  15 f 319.6600 4.066471  21759.12       514.4157 21243.74       
885.0387 22022.07       632.1656 316.3237 6.664256 322.9964 4.661807 -6.672760 
8.132942 
1 1 1 -8  15  16 o 184.4218 2.345469  7149.557       168.6874 7191.464       
300.9713 7130.362       203.6868 184.7141 3.881021 184.1295 2.634879 0.5846405 
4.690939 
1 1 1 -8  15  17 o 165.0096 3.156258  5641.010       197.8454 5996.527       
374.4212 5503.295       233.0352 168.3663 5.296956 161.6529 3.433674 6.713394 
6.312516 
1 1 1 -8  15  18 o 102.3409 2.296246  2154.851       94.84013 2382.973       
161.0673 2033.782       117.3384 106.3589 3.607069 98.32292 2.842538 8.036003 
4.592491 
1 1 1 -8  15  19 o 156.6697 2.768685  5155.432       175.1133 5241.212       
291.8365 5107.172       218.8997 157.5972 4.410748 155.7423 3.347801 1.854874 
5.537370 
1 1 1 -8  15  20 o 133.1656 2.792123  3765.297       151.8881 3620.847       
242.2895 3858.816       194.9506 130.9748 4.406239 135.3564 3.430576 -4.381577 
5.584245 
1 1 1 -8  15  21 o 91.96584 2.535902  1712.627       91.85162 1983.313       
165.8168 1592.801       110.3243 96.94865 4.073877 86.98303 3.021047 9.965622 
5.071804 
1 1 1 -8  15  22 o 75.53806 2.401447  1197.329       75.32809 1240.296       
116.2686 1166.247       98.88919 76.67914 3.611655 74.39697 3.166028 2.282173 
4.802894 
1 1 1 -8  15  23 o 102.0943 2.507372  2194.332       104.6742 2227.076       
168.8885 2173.908       133.3813 102.6474 3.918983 101.5411 3.128774 1.106255 
5.014743 
1 1 1 -8  15  24 o 75.46341 2.638053  1199.767       82.51317 1232.169       
128.0203 1176.742       107.9200 76.29069 3.996947 74.63613 3.444084 1.654556 
5.276106 
1 1 1 -8  15  25 o 137.6304 2.741897  4014.402       155.6440 4006.165       
243.8357 4020.065       202.1942 137.3922 4.227234 137.8687 3.493207 
-0.4764404     5.483794 
1 1 1 -8  15  26 o 108.0045 2.989838  2427.060       129.7389 2662.988       
222.1504 2304.939       159.8274 111.7257 4.736038 104.2833 3.650544 7.442398 
5.979676 
1 1 1 -8  15  27 o 132.0586 3.039009  3732.475       166.1495 3642.792       
255.4296 3798.252       218.7526 130.4925 4.662369 133.6246 3.899309 -3.132126 
6.078018 
1 1 1 -8  15  28 o 95.31593 2.433524  1922.976       96.05436 1980.937       
149.5784 1882.301       125.3050 96.44228 3.694216 94.18959 3.168740 2.252686 
4.867047 
1 1 1 -8  15  29 o 112.7737 2.969383  2616.833       123.4661 2972.463       
248.2474 2499.954       142.3160 117.0958 5.049686 108.4516 3.125640 8.644249 
5.938767 
1 1 1 -8  15  30 o 100.8315 3.175879  2097.408       123.4227 2464.392       
232.1909 1952.879       145.7136 106.1701 5.209115 95.49281 3.634548 10.67734 
6.351757 
1 1 1 -8  15  31 o 29.72704 5.606672  167.4232       67.89793 353.9643       
132.3189 100.7487       79.10693 38.07428 8.495770 21.37981 7.318535 16.69447 
11.21334 
1 1 1 -8  15  32 o 72.85443 3.511037  1179.925       103.7542 1135.604       
167.8244 1207.345       132.0033 71.24469 5.610786 74.46418 4.222391 -3.219490 
7.022073 
1 1 1 -8  15  33 o 37.60077 4.621552  331.3743       71.30834 313.2471       
101.4466 349.0780       100.2544 36.15223 6.931031 39.04930 6.115211 -2.897079 
9.243105 
1 1 1 -8  15  34 o 26.84332 6.048141  187.2583       76.73387 175.8303       
106.8200 199.4428       110.2998 26.09385 8.504391 27.59279 8.602057 -1.498941 
12.09628 
1 1 1 -8  15  35 o 25.78959 5.865473  172.4990       70.55264 219.6674       
114.7233 143.8094       89.47224 28.07399 8.777021 23.50519 7.783251 4.568800 
11.73095 
1 1 1 -8  15  36 o 16.84370 5.342137  4.206534       78.37095 41.36186       
116.3584 -26.64382      106.0272 18.28216 7.994496 15.40524 7.088142 2.876916 
10.68427 
1 1 1 -8  16  1  o 278.1846 8.999475  16759.73       1000.359 16902.84       
1697.266 16683.56       1238.305 277.6903 14.55829 278.6789 10.58387 
-0.9885864     17.99895 
1 1 1 -8  16  2  o 76.77524 3.164542  1234.693       86.67660 1256.792       
178.9132 1227.916       99.08021 77.14120 5.524297 76.40928 3.088602 0.7319183 
6.329085 
1 1 1 -8  16  3  o 219.1149 5.281374  9297.717       184.6184 11200.67       
992.9860 9229.582       187.8944 228.6376 10.34467 209.5922 2.135305 19.04544 
10.56275 
1 1 1 -8  16  4  o 55.28737 3.169755  581.3119       63.15718 770.4365       
135.9300 529.2427       71.32336 60.41779 5.358850 50.15695 3.387051 10.26083 
6.339509 
1 1 1 -8  16  5  o 113.3482 2.444568  2655.157       104.0509 2810.152       
200.5783 2598.090       121.7080 115.5166 4.135808 111.1798 2.607440 4.336868 
4.889136 
1 1 1 -8  16  6  o 92.66431 2.209685  1787.462       83.00043 1875.201       
138.0071 1737.742       103.8892 94.40723 3.481909 90.92139 2.721607 3.485840 
4.419370 
1 1 1 -8  16  7  o 61.23940 2.419598  787.6387       61.47698 797.8016       
94.75033 780.2495       80.79166 61.56994 3.665499 60.90885 3.159419 0.6610947 
4.839195 
1 1 1 -8  16  8  o 137.2709 2.276247  3938.067       124.0444 4041.464       
214.8909 3886.397       151.9086 138.5697 3.693778 135.9721 2.661055 2.597672 
4.552495 
1 1 1 -8  16  9  o 251.3991 3.953622  13285.35       394.3159 13550.64       
682.7372 13152.57       483.0206 253.0202 6.427166 249.7781 4.606089 3.242096 
7.907244 
1 1 1 -8  16  10 o 156.6133 2.047775  5140.961       124.6482 5202.744       
224.1491 5113.302       149.9764 157.2404 3.395422 155.9862 2.290118 1.254257 
4.095550 
1 1 1 -8  16  11 o 203.0352 2.520475  8589.096       194.3190 8886.354       
365.7941 8472.229       229.3578 205.3382 4.243146 200.7322 2.721558 4.606018 
5.040949 
1 1 1 -8  16  12 o 170.4536 2.643301  6006.677       169.3967 6372.231       
326.0372 5871.508       198.2564 173.8206 4.467730 167.0866 2.826224 6.734009 
5.286602 
1 1 1 -8  16  13 o 102.6078 2.388171  2233.946       101.2225 2110.217       
155.4138 2325.100       133.3961 100.0917 3.698389 105.1238 3.022476 -5.032143 
4.776342 
1 1 1 -8  16  14 o 128.0445 2.319192  3449.815       120.4204 3457.726       
197.9023 3445.163       151.7459 128.1143 3.679379 127.9748 2.824317 0.1394653 
4.638383 
1 1 1 -8  16  15 o 258.7630 4.334165  14145.90       438.9221 14350.28       
778.9336 14050.81       531.3041 259.6554 7.145360 257.8707 4.907522 1.784729 
8.668330 
1 1 1 -8  16  16 o 161.5809 2.705094  5487.901       175.3835 5552.762       
295.9864 5452.807       217.7211 162.2207 4.345970 160.9411 3.222216 1.279541 
5.410188 
1 1 1 -8  16  17 o 60.37115 2.641693  771.2296       66.03326 747.3204       
101.3399 788.8715       87.05067 59.53440 4.054463 61.20789 3.387551 -1.673485 
5.283386 
1 1 1 -8  16  18 o 69.67506 2.433163  1011.912       70.41048 1091.064       
109.3587 955.8669       92.02150 71.96671 3.619450 67.38340 3.252801 4.583313 
4.866326 
1 1 1 -8  16  19 o 177.8857 2.842711  6635.669       198.4178 6776.569       
351.2085 6569.614       240.4714 179.1247 4.670148 176.6468 3.242491 2.477890 
5.685422 
1 1 1 -8  16  20 o 157.3716 2.941400  5163.914       183.5975 5415.482       
320.1585 5040.647       224.1085 160.0644 4.764214 154.6788 3.451030 5.385666 
5.882800 
1 1 1 -8  16  21 o 155.5118 2.458553  4976.617       136.8648 5333.091       
284.6116 4869.386       156.0985 158.8801 4.266820 152.1436 2.443802 6.736420 
4.917105 
1 1 1 -8  16  22 o 28.99065 5.231968  186.7254       63.14357 188.6180       
99.19572 185.4360       81.87374 29.10990 7.911048 28.87140 6.849034 0.2385082 
10.46394 
1 1 1 -8  16  23 o 33.96524 4.778793  270.3360       64.83025 176.0389       
101.0417 336.3194       84.52182 28.15627 8.107256 39.77422 5.061605 -11.61795 
9.557586 
1 1 1 -8  16  24 o 52.25917 3.253087  569.9462       70.41179 642.1098       
111.1279 521.5434       91.01219 54.94368 4.817551 49.57466 4.372813 5.369022 
6.506173 
1 1 1 -8  16  25 o 108.9289 2.520190  2500.524       113.1031 2569.761       
179.0573 2454.559       145.8930 110.0953 3.873864 107.7626 3.224687 2.332710 
5.040380 
1 1 1 -8  16  26 o 70.38458 2.831958  1035.331       81.72263 1133.548       
132.9178 975.6364       103.6228 72.94686 4.340080 67.82230 3.639182 5.124557 
5.663916 
1 1 1 -8  16  27 o 119.4539 3.005289  3063.907       148.2483 2944.240       
228.8087 3150.489       194.6247 117.2346 4.648766 121.6732 3.809991 -4.438606 
6.010579 
1 1 1 -8  16  28 o 113.5201 3.144847  2789.177       144.7867 2673.584       
234.6355 2860.258       183.9945 111.2582 5.023227 115.7821 3.785162 -4.523941 
6.289695 
1 1 1 -8  16  29 o 34.58504 4.854414  277.8215       65.17968 252.8008       
112.0099 290.6318       80.14686 32.63478 8.182885 36.53530 5.225103 -3.900513 
9.708827 
1 1 1 -8  16  30 o 25.61441 5.952385  125.6140       75.63642 247.3607       
126.4600 57.80373       94.37831 31.75053 9.046620 19.47829 7.738361 12.27224 
11.90477 
1 1 1 -8  16  31 o 38.28487 5.147552  318.6352       79.07180 469.8362       
132.6999 235.3941       98.46050 45.28736 6.979346 31.28238 7.568218 14.00497 
10.29510 
1 1 1 -8  16  32 o 17.10691 5.379619  -7.864092      75.31831 -34.46929      
127.3398 6.451900       93.40959 17.58610 7.980133 16.62773 7.216554 0.9583740 
10.75924 
1 1 1 -8  16  33 o 34.55247 5.490035  292.5432       81.35524 415.7416       
119.0998 184.7713       111.3938 42.17438 6.726408 26.93056 8.678556 15.24382 
10.98007 
1 1 1 -8  16  34 o 23.19503 6.052665  126.9163       78.70909 165.3087       
114.5389 92.56564       108.3423 25.28682 8.792700 21.10323 8.320303 4.183590 
12.10533 
1 1 1 -8  16  35 o 24.80265 5.788418  165.5342       71.18649 130.4894       
100.6853 200.5617       100.6605 22.49180 8.201032 27.11350 8.171059 -4.621706 
11.57684 
1 1 1 -8  16  36 o 25.06347 6.240995  183.4173       82.19176 162.5162       
121.4900 201.0573       111.6108 23.85148 8.957217 26.27547 8.693007 -2.423992 
12.48199 
1 1 1 -8  17  1  o 124.4951 4.603487  3317.492       230.7624 3180.926       
380.8014 3396.748       290.0952 122.2564 7.419046 126.7338 5.452169 -4.477379 
9.206975 
1 1 1 -8  17  2  o 168.2209 7.793806  6028.062       550.4382 6028.062       
550.4382 0.000000       0.000000 168.2209 7.793806 ?        ?        ? ? 
1 1 1 -8  17  3  o 88.40450 3.354388  1657.760       123.8204 1537.724       
180.3800 1764.722       170.2737 85.33305 5.034916 91.47594 4.433654 -6.142891 
6.708776 
1 1 1 -8  17  4  o 59.26835 3.261873  743.5568       70.75014 735.8029       
139.6193 746.2358       82.06709 58.98800 5.637712 59.54870 3.282598 
-0.5607033     6.523745 
1 1 1 -8  17  5  o 90.03198 2.490523  1695.137       89.23843 1741.508       
153.8300 1671.617       109.5572 90.91448 4.030221 89.14948 2.927137 1.764999 
4.981046 
1 1 1 -8  17  6  o 172.3658 2.833648  6279.324       200.8717 6158.707       
316.1384 6360.992       260.1325 170.9076 4.405924 173.8240 3.564560 -2.916458 
5.667297 
1 1 1 -8  17  7  o 65.94232 2.376858  891.2856       63.39840 1002.611       
107.4135 831.7698       78.53753 69.00125 3.707857 62.88340 2.974831 6.117851 
4.753717 
1 1 1 -8  17  8  o 142.6161 2.355555  4276.798       135.7987 4294.945       
224.9736 4266.396       170.3293 142.8044 3.752417 142.4279 2.848495 0.3764954 
4.711110 
1 1 1 -8  17  9  f 180.0076 2.350258  6777.185       160.4137 6919.431       
301.7348 6721.139       189.3968 181.2155 3.965985 178.7996 2.523057 2.415909 
4.700516 
1 1 1 -8  17  10 o 199.2403 2.874511  8120.603       202.9801 8830.690       
429.7169 7916.664       230.2910 204.4729 5.005735 194.0078 2.827345 10.46510 
5.749023 
1 1 1 -8  17  11 o 236.9450 3.569067  11642.53       322.7094 12389.78       
606.1578 11346.96       381.2269 241.8471 5.969884 232.0428 3.913240 9.804245 
7.138134 
1 1 1 -8  17  12 o 119.6006 2.436270  2995.686       119.1968 3084.485       
192.7740 2940.722       151.6648 120.9877 3.795145 118.2134 3.055899 2.774269 
4.872540 
1 1 1 -8  17  13 o 144.3016 2.398367  4412.336       139.6606 4283.101       
230.2549 4487.555       175.6632 142.5549 3.847226 146.0482 2.864876 -3.493271 
4.796734 
1 1 1 -8  17  14 o 230.1791 3.043840  11202.58       273.4956 11113.19       
485.2658 11244.20       331.0892 229.2877 5.041038 231.0705 3.412885 -1.782745 
6.087680 
1 1 1 -8  17  15 o 103.2486 2.055499  2256.184       85.94913 2191.730       
140.5533 2294.682       108.6259 102.0313 3.281169 104.4659 2.476737 -2.434563 
4.110997 
1 1 1 -8  17  16 o 101.1282 2.309112  2163.265       95.87404 2102.401       
151.2762 2204.123       123.9446 99.90189 3.606767 102.3546 2.884306 -2.452713 
4.618224 
1 1 1 -8  17  17 o 143.5180 2.474884  4368.614       147.7827 4064.853       
219.5693 4620.180       199.8168 138.8876 3.765558 148.1485 3.212595 -9.260880 
4.949768 
1 1 1 -8  17  18 o 102.3172 2.126806  2195.217       89.86189 2246.638       
141.1281 2160.152       116.5405 103.2991 3.254151 101.3352 2.739289 1.963974 
4.253611 
1 1 1 -8  17  19 o 255.0359 3.138209  13739.35       308.8623 13724.00       
560.4084 13746.05       370.1547 254.6352 5.242124 255.4367 3.451604 
-0.8015594     6.276419 
1 1 1 -8  17  20 o 26.89315 5.328732  160.9793       62.36460 139.9676       
98.06355 175.2485       80.81235 25.67637 8.129567 28.10992 6.891421 -2.433552 
10.65746 
1 1 1 -8  17  21 o 147.3389 2.831591  4603.874       171.5651 4498.221       
269.7583 4675.637       222.3231 145.8141 4.406526 148.8637 3.557270 -3.049637 
5.663182 
1 1 1 -8  17  22 o 90.47171 2.473930  1732.399       91.91740 1707.479       
145.4452 1748.970       118.6045 89.87285 3.854712 91.07057 3.102018 -1.197723 
4.947860 
1 1 1 -8  17  23 o 141.4263 2.313326  4236.963       132.5277 4170.173       
217.2904 4276.524       167.2336 140.4251 3.685675 142.4275 2.796732 -2.002380 
4.626652 
1 1 1 -8  17  24 f 122.0858 2.218843  3061.744       106.6914 3395.692       
190.9572 2910.184       128.6435 126.6775 3.590521 117.4941 2.607912 9.183441 
4.437685 
1 1 1 -8  17  25 o 53.34622 3.598536  613.1399       79.96509 549.6254       
116.1149 670.4374       110.2856 50.62365 5.463305 56.06880 4.685098 -5.445156 
7.197072 
1 1 1 -8  17  26 o 94.22813 3.028934  1910.937       117.5167 1794.557       
181.7961 1994.474       154.0231 91.58015 4.728292 96.87612 3.786955 -5.295975 
6.057868 
1 1 1 -8  17  27 o 68.68552 3.081781  1007.650       87.79805 1023.831       
135.4641 995.9290       115.2914 69.06109 4.672097 68.30994 4.020074 0.7511444 
6.163561 
1 1 1 -8  17  28 o 99.66019 2.699574  2130.481       112.1905 2042.965       
166.5682 2203.150       151.7832 97.66337 4.062389 101.6570 3.556374 -3.993629 
5.399148 
1 1 1 -8  17  29 f 119.7443 2.974353  3049.297       140.0753 3197.927       
247.8630 2979.554       169.7882 121.3539 4.864957 118.1347 3.423347 3.219154 
5.948706 
1 1 1 -8  17  30 o 72.52985 2.898493  1154.073       86.31545 1028.728       
132.1206 1247.409       114.0091 68.79082 4.574685 76.26888 3.560520 -7.478050 
5.796986 
1 1 1 -8  17  31 f 31.85132 5.726554  264.1808       78.20123 175.8754       
129.9109 314.3624       97.93196 26.98315 9.365919 36.71949 6.591909 -9.736340 
11.45311 
1 1 1 -8  17  32 o 65.45689 3.369383  939.7909       87.67260 964.1844       
150.7341 927.3195       107.7789 65.58236 5.474514 65.33142 3.929460 0.2509384 
6.738766 
1 1 1 -8  17  33 o 51.76776 3.792262  598.5596       81.56190 647.6743       
126.4308 563.5496       106.7440 53.37515 5.642024 50.16038 5.068782 3.214771 
7.584523 
1 1 1 -8  17  34 o 24.78924 6.063357  157.3886       80.51243 94.19040       
118.2147 212.0658       109.9568 21.39319 8.600403 28.18529 8.549285 -6.792101 
12.12671 
1 1 1 -8  17  35 o 16.42827 5.260800  -9.903044      78.40196 10.11769       
114.1934 -27.75595      107.8339 17.23206 7.698575 15.62448 7.171890 1.607576 
10.52160 
1 1 1 -8  18  1  o 59.07040 3.622988  763.8182       86.68251 588.5287       
130.1842 903.4290       116.1823 52.69876 5.884087 65.44202 4.228676 -12.74326 
7.245977 
1 1 1 -8  18  2  o 151.9626 3.914863  4878.201       242.5842 4930.011       
393.8170 4846.523       307.9416 152.4632 6.152485 151.4620 4.842679 1.001190 
7.829726 
1 1 1 -8  18  3  o 57.81538 4.764246  705.9779       115.6423 0.000000       
0.000000 705.9779       115.6423 ?        ?        57.81538 4.764246 ? ? 
1 1 1 -8  18  4  o 32.85032 5.716248  232.0278       75.47723 266.2073       
128.7242 214.1200       93.17500 34.59229 8.831707 31.10834 7.259676 3.483946 
11.43250 
1 1 1 -8  18  5  o 183.3865 4.882157  7193.856       369.9276 6876.642       
569.2024 7425.813       486.7371 179.6414 7.547121 187.1316 6.195385 -7.490204 
9.764314 
1 1 1 -8  18  6  o 61.72681 2.480385  755.8049       62.03744 990.6417       
106.1777 634.0814       76.44292 68.57322 3.688074 54.88039 3.317731 13.69283 
4.960769 
1 1 1 -8  18  7  o 32.85262 4.088340  237.1419       53.83857 207.6657       
82.56232 258.9490       71.01437 30.69101 6.597053 35.01424 4.830839 -4.323225 
8.176681 
1 1 1 -8  18  8  o 113.1539 2.165105  2677.665       98.32013 2751.341       
166.5020 2638.219       121.8289 114.3015 3.469674 112.0064 2.590768 2.295120 
4.330210 
1 1 1 -8  18  9  o 245.3783 4.493042  12710.38       438.1268 12982.79       
755.8984 12572.57       537.6492 246.9301 7.291393 243.8266 5.252172 3.103485 
8.986085 
1 1 1 -8  18  10 o 251.8436 3.414042  13434.18       321.6140 13319.39       
613.6074 13477.66       377.6433 250.7363 5.829005 252.9508 3.556041 -2.214539 
6.828084 
1 1 1 -8  18  11 o 50.71397 2.751913  536.5740       57.92175 577.6839       
90.20304 507.7303       75.55680 52.33808 4.105107 49.08986 3.666087 3.248219 
5.503826 
1 1 1 -8  18  12 o 73.79608 2.450433  1151.785       74.64114 1119.660       
115.8699 1174.572       97.58629 72.88925 3.786415 74.70291 3.111518 -1.813660 
4.900866 
1 1 1 -8  18  13 o 53.55485 2.725146  593.1332       60.69335 706.0969       
93.47495 510.7961       79.80382 57.88084 3.846640 49.22886 3.861223 8.651978 
5.450292 
1 1 1 -8  18  14 o 28.50977 4.789543  182.2598       56.03719 159.5839       
87.34227 198.1238       73.05500 26.95986 7.466245 30.05968 6.001173 -3.099821 
9.579086 
1 1 1 -8  18  15 o 210.0157 3.610913  9077.332       290.9163 9931.813       
544.8895 8736.653       344.0565 216.4677 5.995651 203.5637 4.025785 12.90404 
7.221827 
1 1 1 -8  18  16 o 117.6554 2.121128  2867.893       99.49014 3055.370       
172.3226 2774.156       121.8498 120.4529 3.407581 114.8580 2.526881 5.594925 
4.242256 
1 1 1 -8  18  17 f 77.31813 2.403559  1218.998       75.98856 1433.826       
125.8361 1095.697       95.33326 82.49107 3.633452 72.14520 3.147444 10.34587 
4.807117 
1 1 1 -8  18  18 o 51.41465 3.242091  563.4677       68.16171 535.4558       
108.0504 581.9831       87.84640 50.30335 5.116238 52.52596 3.983557 -2.222603 
6.484182 
1 1 1 -8  18  19 o 97.77428 2.526183  1983.625       102.0998 2193.518       
162.0340 1845.411       131.4866 101.9693 3.784930 93.57928 3.346746 8.389999 
5.052367 
1 1 1 -8  18  20 o 37.94077 4.479318  295.3965       65.90763 546.9649       
106.0292 136.9871       84.13714 50.79485 4.971951 25.08669 7.452305 25.70816 
8.958635 
1 1 1 -8  18  21 o 91.49382 2.514970  1777.157       94.49599 1719.649       
148.7829 1816.040       122.3395 90.18761 3.929408 92.80003 3.140072 -2.612419 
5.029941 
1 1 1 -8  18  22 o 78.86096 2.342518  1290.679       75.30280 1404.852       
124.3517 1224.567       94.62562 81.52132 3.633301 76.20061 2.957817 5.320717 
4.685036 
1 1 1 -8  18  23 o 173.7804 2.619647  6026.511       152.5735 7013.172       
354.0401 5801.479       169.0798 181.6104 4.643366 165.9505 2.426800 15.65982 
5.239295 
1 1 1 -8  18  24 o 75.43959 2.958797  1188.121       92.89675 1402.080       
142.5832 1030.308       122.4540 81.23968 4.180433 69.63950 4.188305 11.60018 
5.917594 
1 1 1 -8  18  25 o 138.7296 3.137079  4107.868       181.5404 4069.211       
271.8123 4138.998       243.9205 138.0121 4.691082 139.4471 4.166389 -1.434998 
6.274157 
1 1 1 -8  18  26 o 83.68464 2.704114  1491.431       93.62379 1485.765       
145.0840 1495.475       122.5566 83.44878 4.141147 83.92049 3.478481 
-0.4717102     5.408228 
1 1 1 -8  18  27 o 45.59081 3.965092  452.7678       75.27447 444.6506       
113.2533 459.1915       100.7489 45.11632 5.979133 46.06531 5.209394 
-0.9489861     7.930184 
1 1 1 -8  18  28 o 101.6788 2.736649  2234.598       114.9817 2077.238       
175.1777 2353.708       152.4071 98.30177 4.244618 105.0559 3.455460 -6.754089 
5.473298 
1 1 1 -8  18  29 o 160.5345 2.778937  5475.255       176.2448 5735.239       
309.1272 5350.045       214.5272 162.7079 4.525323 158.3611 3.226673 4.346802 
5.557875 
1 1 1 -8  18  30 o 55.14703 3.869734  684.7662       86.16154 622.6426       
138.3568 724.1213       110.1216 52.62941 6.261709 57.66465 4.548666 -5.035233 
7.739468 
1 1 1 -8  18  31 o 54.64506 3.844226  659.6921       84.52999 685.4710       
142.0174 645.5486       105.1929 55.02415 6.147651 54.26597 4.617214 0.7581787 
7.688451 
1 1 1 -8  18  32 o 44.50139 5.038526  502.5304       83.64654 360.4488       
136.5259 587.9160       105.8372 37.52942 8.806882 51.47336 4.897530 -13.94394 
10.07705 
1 1 1 -8  18  33 o 42.83891 4.553904  415.8387       79.16692 481.9418       
133.1806 379.7177       98.44852 44.95254 7.056801 40.72529 5.757926 4.227253 
9.107807 
1 1 1 -8  18  34 o 81.22209 3.059880  1472.624       104.1496 1431.184       
150.3956 1510.810       144.3687 79.95167 4.480522 82.49251 4.168499 -2.540840 
6.119760 
1 1 1 -8  18  35 o 22.49900 6.060449  133.5387       81.00703 96.82023       
118.0873 166.1771       111.3333 20.71575 8.494543 24.28225 8.646323 -3.566505 
12.12090 
1 1 1 -8  19  1  f 78.82168 3.517488  1340.480       112.2204 1198.813       
179.1999 1431.881       143.9391 75.24495 5.672590 82.39841 4.160841 -7.153458 
7.034976 
1 1 1 -8  19  2  o 140.5866 4.319422  4201.481       251.2804 4124.592       
387.7283 4257.162       329.9509 139.3507 6.627341 141.8224 5.541477 -2.471680 
8.638844 
1 1 1 -8  19  3  o 138.0737 3.910432  3944.583       207.9132 4262.741       
385.7347 3814.298       246.8392 141.6973 6.484078 134.4501 4.372945 7.247177 
7.820864 
1 1 1 -8  19  4  o 97.89897 3.264061  1998.774       125.8217 2094.826       
222.5587 1953.655       152.5376 99.51275 5.327051 96.28519 3.773448 3.227554 
6.528122 
1 1 1 -8  19  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  19  6  o 139.3345 3.314874  4096.896       193.8384 3958.478       
270.1392 4243.805       278.3008 136.9082 4.699798 141.7608 4.676053 -4.852631 
6.629749 
1 1 1 -8  19  7  o 107.6094 2.703799  2414.669       116.6976 2527.353       
198.7007 2355.336       144.1838 109.4457 4.324360 105.7732 3.246848 3.672501 
5.407598 
1 1 1 -8  19  8  o 20.15589 4.608476  55.74334       50.50869 155.2437       
78.83854 -13.52823      65.78152 26.53725 6.981731 13.77454 6.017277 12.76271 
9.216951 
1 1 1 -8  19  9  o 63.54304 2.390388  842.3506       63.38740 921.4481       
96.29899 781.8791       84.20082 66.14561 3.467702 60.94047 3.291028 5.205139 
4.780777 
1 1 1 -8  19  10 o 23.01284 4.793150  115.3010       52.86642 51.99112       
81.49075 161.3093       69.46885 18.97705 7.277282 27.04863 6.240057 -8.071585 
9.586300 
1 1 1 -8  19  11 o 33.92855 4.148666  256.1625       55.65380 211.7596       
86.61555 287.3846       72.63104 30.96589 6.845068 36.89122 4.689433 -5.925331 
8.297333 
1 1 1 -8  19  12 o 83.86064 2.371048  1510.623       81.44198 1317.307       
124.9075 1653.584       107.4144 79.06651 3.762851 88.65477 2.885902 -9.588257 
4.742096 
1 1 1 -8  19  13 o 132.4441 2.493902  3674.796       134.6088 3776.470       
219.7967 3613.774       170.2768 133.8511 3.911293 131.0371 3.095155 2.814026 
4.987805 
1 1 1 -8  19  14 o 31.70718 4.559869  216.4085       57.99791 252.2439       
90.93994 191.8398       75.29901 33.89881 6.626207 29.51556 6.266019 4.383249 
9.119738 
1 1 1 -8  19  15 o 30.95729 4.716089  218.9348       59.67097 154.0206       
93.71616 263.1958       77.38473 26.64085 7.852421 35.27374 5.225463 -8.632896 
9.432178 
1 1 1 -8  19  16 o 71.87531 2.688556  1099.832       79.10580 1037.902       
124.7834 1141.445       102.2861 70.12981 4.238138 73.62080 3.309307 -3.490982 
5.377111 
1 1 1 -8  19  17 o 231.3043 3.997377  11396.92       374.7427 11144.55       
612.3286 11548.04       473.8416 228.9318 6.370880 233.6768 4.829906 -4.744995 
7.994754 
1 1 1 -8  19  18 o 24.34360 5.473364  124.9935       62.21432 121.7195       
98.32457 127.1796       80.34283 24.42833 8.159206 24.25887 7.297822 0.1694565 
10.94673 
1 1 1 -8  19  19 o 24.95182 5.416719  134.7283       61.73531 124.3245       
97.20506 141.7617       79.92385 24.52777 8.112623 25.37586 7.179744 
-0.8480968     10.83344 
1 1 1 -8  19  20 o 83.14497 2.371622  1446.833       80.21938 1506.619       
131.9550 1411.785       101.0332 84.44605 3.721923 81.84389 2.940348 2.602165 
4.743244 
1 1 1 -8  19  21 f 46.78980 3.631306  489.3093       67.58279 369.4664       
105.3735 573.0552       88.08599 41.55426 6.039999 52.02534 4.032858 -10.47108 
7.262612 
1 1 1 -8  19  22 f 60.61742 3.008409  792.3865       74.93305 704.8234       
114.5525 857.8777       99.06854 57.56472 4.739901 63.67012 3.706135 -6.105400 
6.016818 
1 1 1 -8  19  23 o 85.09282 2.337442  1532.957       81.08782 1523.048       
131.1556 1539.089       103.1683 84.79527 3.684142 85.39037 2.877784 
-0.5951080     4.674884 
1 1 1 -8  19  24 o 172.5802 4.236611  6414.939       306.6173 6226.901       
421.6488 6625.965       446.6775 169.9637 5.909023 175.1967 6.072804 -5.232941 
8.473223 
1 1 1 -8  19  25 o 87.22127 2.904397  1623.963       105.9677 1587.431       
155.6187 1655.548       144.6983 86.24291 4.297931 88.19962 3.907668 -1.956703 
5.808794 
1 1 1 -8  19  26 o 127.9010 2.437351  3467.081       127.0924 3521.422       
206.6149 3434.006       161.1956 128.5172 3.829319 127.2848 3.016460 1.232368 
4.874701 
1 1 1 -8  19  27 o 21.21387 5.493263  86.28323       62.95373 92.22460       
99.95446 82.37683       81.04889 21.97487 8.149853 20.45287 7.367743 1.522003 
10.98653 
1 1 1 -8  19  28 o 66.80547 2.607064  960.6590       72.66747 889.5169       
106.1497 1023.405       99.68898 64.37758 3.927400 69.23335 3.429674 -4.855774 
5.214128 
1 1 1 -8  19  29 o 83.13609 3.038076  1448.174       102.9050 1693.403       
171.9723 1311.390       128.4368 88.23379 4.642421 78.03841 3.920146 10.19538 
6.076152 
1 1 1 -8  19  30 o 80.75755 2.945026  1405.999       96.23100 1448.387       
159.6799 1381.824       120.5893 81.36801 4.674312 80.14709 3.583786 1.220917 
5.890052 
1 1 1 -8  19  31 o 68.34005 3.532061  1009.085       94.67291 1106.615       
169.6781 964.9968       114.0816 70.08758 5.766412 66.59252 4.080478 3.495056 
7.064121 
1 1 1 -8  19  32 o 25.44259 6.038561  128.8707       78.65368 273.5930       
132.4147 49.96956       97.77097 32.13027 9.290508 18.75492 7.716434 13.37536 
12.07712 
1 1 1 -8  19  33 o 74.48773 3.166925  1218.355       94.92169 1284.135       
160.0727 1182.679       117.8846 75.45993 5.052680 73.51553 3.819433 1.944397 
6.333849 
1 1 1 -8  19  34 o 21.88327 6.032660  113.5462       80.23471 138.8973       
116.3538 90.56207       110.7887 23.17762 8.751462 20.58891 8.305652 2.588707 
12.06532 
1 1 1 -8  19  35 o 19.24422 5.733794  66.88969       80.32162 30.52612       
116.5387 99.79451       110.8579 17.89872 7.905324 20.58973 8.307312 -2.691011 
11.46759 
1 1 1 -8  20  1  f 145.5172 4.890705  4505.790       281.0633 4505.626       
488.2509 4505.871       343.7268 145.1803 8.010442 145.8541 5.613271 
-0.6737823     9.781410 
1 1 1 -8  20  2  o 81.43066 3.604003  1428.085       119.3761 1285.707       
188.6629 1523.151       154.1614 77.90052 5.768557 84.96082 4.321934 -7.060295 
7.208007 
1 1 1 -8  20  3  o 68.30457 3.763147  1004.270       102.5988 928.6873       
170.8430 1046.906       128.3141 66.17075 6.149674 70.43839 4.338964 -4.267632 
7.526294 
1 1 1 -8  20  4  o 124.2041 3.936124  3321.618       191.6277 3104.776       
331.8993 3430.049       234.6984 120.9139 6.538095 127.4944 4.384702 -6.580536 
7.872249 
1 1 1 -8  20  5  o 41.44769 5.019172  329.1942       80.77852 518.6516       
147.5437 248.0972       96.53115 49.36830 7.118583 33.52708 7.077720 15.84122 
10.03834 
1 1 1 -8  20  6  f 216.5995 5.166279  9963.693       461.8439 10137.81       
725.2433 9844.915       599.0046 217.9137 7.927211 215.2854 6.627299 2.628204 
10.33256 
1 1 1 -8  20  7  o 226.4514 8.336527  10967.04       792.5726 10967.04       
792.5726 0.000000       0.000000 226.4514 8.336527 ?        ?        ? ? 
1 1 1 -8  20  8  o 199.6447 4.003663  8426.742       331.4151 8520.676       
511.6769 8358.854       434.9895 200.4703 6.079485 198.8190 5.211250 1.651306 
8.007326 
1 1 1 -8  20  9  o 55.62291 2.724436  666.9337       62.11589 559.5178       
93.55351 751.6214       83.06850 51.49696 4.327126 59.74886 3.311523 -8.251904 
5.448872 
1 1 1 -8  20  10 f 79.97680 2.319505  1334.477       77.16434 1432.994       
118.9920 1262.982       101.3681 82.48969 3.435891 77.46391 3.116901 5.025772 
4.639010 
1 1 1 -8  20  11 o 106.1931 2.462224  2353.277       105.0183 2449.571       
178.0530 2301.908       130.0474 107.7947 3.934348 104.5914 2.961601 3.203316 
4.924447 
1 1 1 -8  20  12 o 128.6798 2.608742  3473.529       136.0290 3548.582       
224.9685 3430.274       170.7866 129.7086 4.131179 127.6509 3.186771 2.057678 
5.217485 
1 1 1 -8  20  13 o 12.42558 4.099967  -81.85570      54.62073 -158.6354      
86.92632 -31.76203      70.21333 11.42687 5.571938 13.42430 6.016015 -1.997426 
8.199935 
1 1 1 -8  20  14 o 143.0962 2.062788  4191.675       111.1252 4575.284       
214.8353 4051.546       129.8451 147.3684 3.472342 138.8239 2.227830 8.544418 
4.125577 
1 1 1 -8  20  15 o 48.18068 3.379423  516.1724       64.87447 368.7154       
98.29982 629.9575       86.35007 41.70265 5.614488 54.65871 3.762915 -12.95605 
6.758846 
1 1 1 -8  20  16 o 163.1620 2.258138  5510.426       132.9922 5800.547       
272.0903 5419.358       152.4427 165.7911 3.909065 160.5329 2.261849 5.258194 
4.516276 
1 1 1 -8  20  17 o 195.4472 3.054223  7973.575       217.9063 8285.931       
436.7642 7870.059       251.4342 197.6249 5.264128 193.2695 3.098719 4.355438 
6.108445 
1 1 1 -8  20  18 o 175.3964 2.211799  6545.909       157.7561 6230.846       
253.9082 6744.000       201.3315 171.8289 3.519667 178.9639 2.679584 -7.134995 
4.423598 
1 1 1 -8  20  19 o 69.49332 2.567396  1032.923       73.84119 923.8577       
110.4080 1121.188       99.32371 66.08869 3.979188 72.89794 3.245329 -6.809250 
5.134793 
1 1 1 -8  20  20 o 58.96584 2.995275  736.6492       73.40272 738.8044       
112.0871 735.0309       97.12700 59.00159 4.524940 58.93009 3.925762 
0.7150269E-01  5.990550 
1 1 1 -8  20  21 o 87.62278 2.496677  1606.595       88.73512 1688.850       
147.3236 1559.766       111.1608 89.28749 3.930093 85.95807 3.080251 3.329422 
4.993353 
1 1 1 -8  20  22 o 67.13419 2.510130  937.5490       69.14919 1030.048       
112.2692 881.0095       87.77436 69.70929 3.836109 64.55909 3.238407 5.150200 
5.020260 
1 1 1 -8  20  23 o 53.70610 3.701799  615.8284       83.17513 547.7330       
114.3085 692.4494       121.2533 50.52964 5.388319 56.88256 5.077330 -6.352917 
7.403598 
1 1 1 -8  20  24 o 153.7511 3.582706  5073.946       230.9228 5078.683       
335.7922 5069.696       318.0758 153.7268 5.202859 153.7753 4.926803 
-0.4846191E-01 7.165412 
1 1 1 -8  20  25 o 62.69672 3.498443  845.8644       92.08079 836.0482       
130.3583 855.6397       130.0860 62.32294 4.982093 63.07051 4.912755 
-0.7475739     6.996886 
1 1 1 -8  20  26 o 103.5704 2.812697  2271.124       120.4671 2425.174       
189.8246 2167.244       155.8794 106.3447 4.251655 100.7962 3.683545 5.548508 
5.625395 
1 1 1 -8  20  27 o 33.98716 5.021091  299.3882       73.50314 99.61445       
114.0541 441.2992       96.12791 22.91909 8.661396 45.05522 5.081892 -22.13613 
10.04218 
1 1 1 -8  20  28 o 28.15853 5.826465  190.2524       72.94476 179.2854       
112.3151 198.2531       95.93056 27.45571 8.701016 28.86135 7.751328 -1.405638 
11.65293 
1 1 1 -8  20  29 o 24.68003 5.968304  141.3134       74.25794 120.7079       
117.2052 155.1315       95.97972 23.81086 8.826271 25.54921 8.036141 -1.738352 
11.93661 
1 1 1 -8  20  30 o 87.66248 3.339387  1703.341       115.3084 1637.031       
198.4088 1737.160       141.6940 85.65771 5.517159 89.66726 3.763905 -4.009552 
6.678773 
1 1 1 -8  20  31 o 51.63580 3.446650  587.1898       72.21656 605.4734       
118.8634 576.4918       90.92142 51.92668 5.452286 51.34492 4.217837 0.5817604 
6.893300 
1 1 1 -8  20  32 o 32.60885 5.764657  238.0140       81.60641 447.3647       
137.9064 125.2021       101.2336 42.23894 8.065455 22.97876 8.238539 19.26018 
11.52931 
1 1 1 -8  20  33 o 108.4491 3.230246  2592.877       135.6654 2732.584       
246.1192 2531.902       162.5980 109.2465 5.366106 107.6517 3.597620 1.594757 
6.460492 
1 1 1 -8  20  34 o 53.92278 4.037590  668.5768       89.98246 850.7438       
140.9772 543.3425       116.8896 60.06786 5.590206 47.77770 5.827360 12.29016 
8.075180 
1 1 1 -8  21  1  f 62.88815 3.824684  862.2442       98.08556 696.4055       
147.4801 993.7816       131.3455 57.22101 6.139019 68.55529 4.563472 -11.33428 
7.649367 
1 1 1 -8  21  2  o 44.32984 4.595652  421.3571       83.69357 402.1873       
131.0312 434.5673       108.7733 43.40376 7.190656 45.25592 5.724904 -1.852165 
9.191303 
1 1 1 -8  21  3  o 109.2930 3.260770  2495.105       142.5651 2619.353       
244.2409 2430.895       175.5804 111.2294 5.230220 107.3566 3.895546 3.872803 
6.521540 
1 1 1 -8  21  4  o 68.59911 3.685027  1037.452       101.4832 811.3259       
157.2145 1198.980       132.8744 61.82465 6.056922 75.37357 4.198974 -13.54892 
7.370054 
1 1 1 -8  21  5  o 139.3962 4.180273  4225.230       234.6661 3713.712       
376.9341 4548.962       299.8668 132.1019 6.796376 146.6905 4.869086 -14.58859 
8.360546 
1 1 1 -8  21  6  o 84.15808 3.472662  1469.529       108.9532 1558.123       
212.4192 1437.901       126.9202 85.71530 5.902777 82.60085 3.659883 3.114449 
6.945323 
1 1 1 -8  21  7  o 91.22511 2.778331  1743.205       104.5821 1816.530       
165.2980 1694.261       135.0481 92.77995 4.243602 89.67028 3.587245 3.109665 
5.556662 
1 1 1 -8  21  8  o 20.10309 7.656570  60.78197       89.70244 0.000000       
0.000000 60.78197       89.70244 ?        ?        20.10309 7.656570 ? ? 
1 1 1 -8  21  9  o 37.75436 7.542692  314.5341       115.3274 314.5341       
115.3274 0.000000       0.000000 37.75436 7.542692 ?        ?        ? ? 
1 1 1 -8  21  10 o 92.07190 2.736823  1786.994       105.1233 1782.863       
140.8998 1792.180       157.8783 91.97482 3.648904 92.16898 4.079988 
-0.1941681     5.473646 
1 1 1 -8  21  11 o 68.27574 2.608661  979.5374       72.68805 995.8282       
117.9446 969.5608       92.30001 68.69946 4.089269 67.85201 3.240112 0.8474503 
5.217322 
1 1 1 -8  21  12 o 154.0228 3.013003  5001.656       191.3942 5046.084       
300.7648 4971.421       248.1149 154.5154 4.636351 153.5302 3.849284 0.9851837 
6.026005 
1 1 1 -8  21  13 o 225.0190 2.718900  10467.03       220.6616 11103.99       
452.7016 10268.54       252.7160 229.1418 4.705750 220.8963 2.724993 8.245483 
5.437800 
1 1 1 -8  21  14 o 150.3486 2.476659  4756.629       152.4827 4808.921       
244.8354 4723.495       194.8952 150.9507 3.863315 149.7466 3.100025 1.204117 
4.953318 
1 1 1 -8  21  15 o 84.06451 2.364646  1492.594       82.56068 1470.962       
125.8472 1508.938       109.3915 83.50114 3.589816 84.62789 3.078868 -1.126755 
4.729292 
1 1 1 -8  21  16 o 54.84824 3.030822  630.9179       68.77444 667.8098       
108.0631 605.8023       89.16279 56.15384 4.583732 53.54264 3.966477 2.611195 
6.061645 
1 1 1 -8  21  17 o 152.7666 2.415098  4935.116       150.3813 4884.985       
243.1676 4966.162       191.3631 152.0367 3.809590 153.4965 2.969482 -1.459793 
4.830197 
1 1 1 -8  21  18 o 223.0738 4.232106  10662.82       382.8771 10531.68       
625.8793 10741.24       484.0070 221.4446 6.732038 224.7029 5.130551 -3.258316 
8.464212 
1 1 1 -8  21  19 o 66.44766 2.852628  945.4940       78.06803 876.4122       
120.2253 995.8591       102.6547 64.26029 4.456297 68.63504 3.562493 -4.374748 
5.705256 
1 1 1 -8  21  20 o 30.55306 4.941464  222.2668       63.84434 125.3949       
102.1651 284.3360       81.77895 24.61852 8.317028 36.48761 5.338475 -11.86909 
9.882928 
1 1 1 -8  21  21 o 149.3244 2.672490  4722.417       162.2641 4739.977       
264.8556 4711.865       205.3057 149.3687 4.223481 149.2800 3.275823 
0.8868408E-01  5.344980 
1 1 1 -8  21  22 o 32.67542 5.749965  245.1977       78.78991 270.3736       
109.2926 217.9557       113.6889 34.47648 7.741044 30.87436 8.504389 3.602127 
11.49993 
1 1 1 -8  21  23 o 36.44723 4.827601  297.0602       70.90302 281.2068       
95.63973 316.4059       105.6499 35.39544 6.680038 37.49902 6.971371 -2.103577 
9.655202 
1 1 1 -8  21  24 o 34.65427 5.589361  277.0324       79.42972 271.5448       
108.9201 283.2655       116.0829 34.32998 7.741539 34.97856 8.064267 
-0.6485748     11.17872 
1 1 1 -8  21  25 o 60.56141 3.318116  787.6248       83.26987 967.9455       
121.6880 628.8356       114.1919 67.18188 4.314361 53.94094 5.042407 13.24094 
6.636232 
1 1 1 -8  21  26 o 41.58200 4.390234  379.0744       76.39169 416.3928       
113.5827 348.2510       103.2266 43.43185 6.229097 39.73214 6.188292 3.699707 
8.780467 
1 1 1 -8  21  27 o 34.40234 4.815206  273.4697       66.78924 274.8942       
99.40947 272.2976       90.17308 34.34201 7.132659 34.46267 6.470703 
-0.1206589     9.630412 
1 1 1 -8  21  28 o 96.21519 3.019430  2006.866       120.0791 1991.379       
186.3130 2017.870       157.0478 95.63060 4.640526 96.79980 3.864368 -1.169197 
6.038860 
1 1 1 -8  21  29 o 82.35440 2.846771  1480.489       97.17696 1383.885       
146.5773 1556.249       129.8043 79.70483 4.380293 85.00397 3.637231 -5.299141 
5.693542 
1 1 1 -8  21  30 o 65.60139 3.513906  971.9571       89.72652 895.8727       
155.7034 1009.785       109.7891 62.94856 5.891603 68.25423 3.831341 -5.305668 
7.027813 
1 1 1 -8  21  31 o 104.0069 3.445385  2415.408       138.5333 2377.113       
247.7653 2432.825       167.0929 102.2230 5.773151 105.7908 3.762107 -3.567825 
6.890771 
1 1 1 -8  21  32 o 46.58993 4.335694  467.3640       78.75227 736.9650       
132.4020 319.7662       97.96567 56.78756 5.553445 36.39229 6.659748 20.39528 
8.671389 
1 1 1 -8  21  33 o 55.29192 3.855464  685.4427       88.02750 868.1444       
139.6531 564.9977       113.3896 61.22497 5.433042 49.35886 5.471789 11.86611 
7.710928 
1 1 1 -8  21  34 o 20.83868 6.006355  96.73877       82.56296 136.4213       
124.9629 65.99680       109.9886 22.62000 8.930217 19.05737 8.034701 3.562626 
12.01271 
1 1 1 -8  22  1  o 129.6528 4.237435  3582.271       216.8064 3599.899       
377.5431 3573.597       264.8256 129.5312 6.942458 129.7743 4.860627 
-0.2431335     8.474870 
1 1 1 -8  22  2  o 33.67655 5.941822  266.1229       89.36955 133.0091       
143.7683 349.9529       114.0911 26.91396 9.801135 40.43914 6.720025 -13.52518 
11.88364 
1 1 1 -8  22  3  o 48.00446 4.553026  474.5925       89.29533 567.3915       
148.4437 421.9716       111.7812 51.49730 6.865916 44.51163 5.981587 6.985668 
9.106052 
1 1 1 -8  22  4  o 172.6944 4.259350  6465.861       293.8953 5945.077       
487.1169 6763.939       368.5268 166.7226 6.959208 178.6662 4.913010 -11.94365 
8.518700 
1 1 1 -8  22  5  o 119.4118 4.172815  2945.270       175.3828 3195.531       
374.1388 2874.790       198.5488 122.1599 7.294998 116.6638 4.053706 5.496132 
8.345630 
1 1 1 -8  22  6  o 89.61474 3.197504  1740.193       113.6444 1564.186       
190.1641 1837.974       141.7392 85.88243 5.274062 93.34705 3.616682 -7.464615 
6.395007 
1 1 1 -8  22  7  o 45.72132 3.966725  443.1423       75.88033 452.0571       
112.5410 435.7114       102.7483 46.12330 5.811810 45.31934 5.400231 0.8039589 
7.933450 
1 1 1 -8  22  8  o 23.52929 5.922141  103.5161       73.84825 95.32971       
105.7568 111.3063       103.1658 23.10973 8.407124 23.94885 8.343098 
-0.8391247     11.84428 
1 1 1 -8  22  9  f 200.6992 5.068384  8597.502       424.3983 8766.277       
639.3483 8464.556       567.4444 202.2650 7.529007 199.1334 6.787349 3.131607 
10.13677 
1 1 1 -8  22  10 o 164.6748 7.010313  5797.073       484.6670 0.000000       
0.000000 5797.073       484.6670 ?        ?        164.6748 7.010313 ? ? 
1 1 1 -8  22  11 o 52.89249 3.538020  593.9144       77.26846 587.3094       
120.3330 598.5484       100.7934 52.59488 5.449573 53.19010 4.513591 
-0.5952225     7.076040 
1 1 1 -8  22  12 o 214.5699 3.352181  9758.590       301.4162 9624.598       
438.1259 9878.996       415.3215 213.1065 4.896924 216.0333 4.579150 -2.926804 
6.704362 
1 1 1 -8  22  13 o 128.3519 2.215176  3409.552       114.3343 3688.370       
194.9326 3263.330       141.1665 132.2118 3.511845 124.4920 2.700917 7.719841 
4.430351 
1 1 1 -8  22  14 o 26.56963 5.006964  162.1715       59.36800 93.25948       
91.93334 211.4664       77.75465 22.19044 7.861440 30.94881 6.202943 -8.758371 
10.01393 
1 1 1 -8  22  15 o 124.8174 2.518971  3250.171       128.1268 3453.797       
210.7418 3130.765       161.3785 127.7999 3.927725 121.8348 3.154970 5.965118 
5.037942 
1 1 1 -8  22  16 o 47.73418 3.334723  486.9776       65.51673 466.3848       
102.1223 501.3821       85.41061 46.81339 5.196026 48.65496 4.181246 -1.841576 
6.669446 
1 1 1 -8  22  17 o 171.9431 3.015779  6254.219       205.7630 6310.844       
355.0298 6225.579       252.4929 172.2513 4.909342 171.6348 3.504006 0.6165161 
6.031558 
1 1 1 -8  22  18 o 113.1069 2.401630  2658.964       109.5086 2862.211       
185.4192 2550.096       135.7043 116.2753 3.798292 109.9386 2.940117 6.336716 
4.803260 
1 1 1 -8  22  19 o 95.47608 2.112712  1901.370       82.82109 2032.553       
133.5882 1819.468       105.5553 98.07027 3.244530 92.88190 2.706885 5.188370 
4.225424 
1 1 1 -8  22  20 o 173.5699 2.996192  6471.590       211.3183 6120.994       
339.8492 6692.589       269.8222 169.4019 4.778471 177.7379 3.615920 -8.335922 
5.992383 
1 1 1 -8  22  21 o 144.6273 2.728407  4400.493       141.9943 4523.941       
289.7342 4361.470       162.8983 145.5229 4.742305 143.7317 2.699511 1.791229 
5.456813 
1 1 1 -8  22  22 o 90.37450 2.869486  1736.123       108.6945 1602.093       
150.3574 1882.839       157.3130 86.70480 4.130500 94.04420 3.984315 -7.339409 
5.738972 
1 1 1 -8  22  23 o 67.76009 3.387800  988.6226       96.09136 1063.403       
134.9853 911.7943       136.8207 70.43533 4.564750 65.08485 5.007178 5.350471 
6.775601 
1 1 1 -8  22  24 o 142.5185 3.445255  4358.591       205.4558 4118.830       
277.0800 4651.429       306.2167 138.2637 4.773292 146.7733 4.969388 -8.509567 
6.890511 
1 1 1 -8  22  25 o 18.43583 5.559749  14.06432       75.92381 7.295889       
106.0479 21.18181       108.7480 18.04168 7.757477 18.82999 7.966480 
-0.7883110     11.11950 
1 1 1 -8  22  26 o 64.79713 3.383614  911.7973       91.93027 904.1493       
133.0523 918.7834       127.1655 64.47817 4.915081 65.11609 4.651597 
-0.6379166     6.767228 
1 1 1 -8  22  27 o 46.68106 3.536298  482.4529       68.14343 390.8461       
97.43391 570.1627       95.33897 42.08561 5.514391 51.27651 4.428668 -9.190895 
7.072596 
1 1 1 -8  22  28 o 35.26344 4.937885  280.3737       71.23672 382.6150       
110.7351 208.1881       93.04592 41.11671 6.414874 29.41018 7.508677 11.70653 
9.875771 
1 1 1 -8  22  29 o 68.99271 2.969255  1031.475       84.53288 1065.701       
133.1609 1008.372       109.4047 69.72970 4.548625 68.25573 3.817842 1.473969 
5.938510 
1 1 1 -8  22  30 o 58.50710 3.460982  749.2447       81.33582 796.9221       
137.9976 723.8652       100.6829 59.47692 5.526424 57.53728 4.167998 1.939636 
6.921963 
1 1 1 -8  22  31 o 35.72294 5.886784  309.9847       83.66250 397.3709       
142.9533 264.4621       103.1778 38.97741 8.923903 32.46847 7.679901 6.508945 
11.77357 
1 1 1 -8  22  32 o 24.52463 6.301110  149.4968       81.02488 184.2069       
136.9751 130.8143       100.4919 26.10847 9.560990 22.94079 8.209958 3.167683 
12.60222 
1 1 1 -8  22  33 o 22.61334 6.213381  123.9316       82.17570 177.2615       
135.5224 92.92206       103.3412 24.91875 9.434278 20.30793 8.088189 4.610823 
12.42676 
1 1 1 -8  23  1  o 109.7162 3.839122  2475.301       154.7422 2767.526       
312.0063 2379.972       178.2034 113.4385 6.551247 105.9939 4.004573 7.444641 
7.678245 
1 1 1 -8  23  2  o 146.1448 3.795518  4576.887       230.0943 4393.151       
349.5082 4717.434       305.6827 143.3499 5.807389 148.9397 4.888565 -5.589813 
7.591037 
1 1 1 -8  23  3  o 58.66057 3.637884  734.9797       88.00002 717.6579       
137.1025 747.1157       114.7588 57.99136 5.631230 59.32978 4.607172 -1.338413 
7.275767 
1 1 1 -8  23  4  o 63.93440 3.649086  850.8309       94.08549 936.2352       
159.8180 805.5333       116.3922 66.23517 5.747225 61.63363 4.498080 4.601540 
7.298172 
1 1 1 -8  23  5  o 206.3461 4.907309  8999.605       375.0349 9466.640       
735.4904 8835.505       435.9720 208.8154 8.389488 203.8768 5.093449 4.938675 
9.814618 
1 1 1 -8  23  6  o 34.84771 5.508463  321.5496       83.56280 73.75129       
146.9953 439.8626       101.5712 24.22472 9.646967 45.47070 5.320590 -21.24598 
11.01693 
1 1 1 -8  23  7  o 98.83899 2.837140  2068.018       117.3560 2041.577       
172.3710 2090.865       160.2265 98.21799 4.180173 99.45998 3.837135 -1.241997 
5.674280 
1 1 1 -8  23  8  o 121.4246 3.005188  3132.709       152.0710 3014.583       
226.8247 3229.157       204.9559 119.2687 4.529860 123.5804 3.950315 -4.311722 
6.010376 
1 1 1 -8  23  9  o 180.6316 4.369507  6978.454       325.6101 6931.131       
508.8448 7011.268       423.7191 179.8122 6.740424 181.4510 5.562110 -1.638840 
8.739015 
1 1 1 -8  23  10 o 91.21294 2.905526  1757.733       110.9544 1795.420       
163.8643 1725.825       150.7778 92.09129 4.238254 90.33459 3.975616 1.756699 
5.811051 
1 1 1 -8  23  11 o 42.12507 4.690653  398.7772       77.99618 289.2919       
113.5552 496.5610       107.3156 35.94023 7.746804 48.30991 5.291120 -12.36967 
9.381307 
1 1 1 -8  23  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  23  13 o 97.24062 2.830007  1982.984       111.9472 2075.226       
184.3343 1929.084       140.9083 98.92358 4.438409 95.55766 3.512304 3.365921 
5.660013 
1 1 1 -8  23  14 o 107.7803 2.313002  2389.043       100.6350 2680.502       
171.2328 2235.253       124.3832 112.6014 3.622132 102.9593 2.877512 9.642036 
4.626005 
1 1 1 -8  23  15 f 66.63715 2.688824  941.0756       73.88820 932.7173       
115.6160 946.8461       96.06622 66.33475 4.151433 66.93955 3.418291 
-0.6047974     5.377649 
1 1 1 -8  23  16 o 110.8170 2.621653  2579.886       117.9273 2674.026       
194.8156 2525.441       148.1543 112.2909 4.132380 109.3431 3.227335 2.947861 
5.243306 
1 1 1 -8  23  17 o 180.0485 3.123814  6880.172       221.5498 6918.213       
387.4012 6861.684       270.0733 180.0337 5.125406 180.0633 3.572543 
-0.2963257E-01 6.247627 
1 1 1 -8  23  18 o 49.83347 3.211597  530.7410       66.19537 516.3819       
102.0223 541.1810       86.99256 49.18499 4.940645 50.48194 4.104565 -1.296951 
6.423195 
1 1 1 -8  23  19 o 67.52892 2.743826  964.3391       76.60043 989.5292       
119.8806 946.9577       99.58073 68.20926 4.186266 66.84857 3.548169 1.360687 
5.487652 
1 1 1 -8  23  20 o 15.90195 4.855313  -13.69198      56.85729 32.23046       
97.06462 -37.67985      70.15268 18.76967 7.699777 13.03422 5.916898 5.735450 
9.710626 
1 1 1 -8  23  21 o 19.57085 5.615061  24.38847       71.93830 96.10852       
116.8142 -19.42983      91.30677 23.23977 8.770574 15.90192 7.013750 7.337849 
11.23012 
1 1 1 -8  23  22 o 84.28497 2.776920  1517.987       98.04617 1622.116       
138.0562 1412.022       139.2682 87.25951 3.768463 81.31042 4.079686 5.949081 
5.553841 
1 1 1 -8  23  23 o 79.70886 2.908788  1360.235       97.33114 1387.808       
138.2130 1333.109       137.0880 80.51964 4.088538 78.89808 4.138605 1.621559 
5.817576 
1 1 1 -8  23  24 o 61.29015 3.283567  800.4359       83.55048 744.4882       
108.8982 880.4979       130.2694 58.80333 4.411029 63.77697 4.865189 -4.973637 
6.567133 
1 1 1 -8  23  25 o 82.95663 3.000167  1476.969       104.1916 1332.817       
142.6881 1641.626       152.4989 78.59692 4.324174 87.31633 4.159990 -8.719406 
6.000333 
1 1 1 -8  23  26 o 83.88303 3.059489  1506.428       106.7834 1645.516       
164.7352 1405.635       140.2352 87.07855 4.506054 80.68750 4.139729 6.391052 
6.118977 
1 1 1 -8  23  27 o 93.45831 2.629604  1882.709       102.8821 1851.504       
150.5392 1910.059       140.9303 92.63305 3.870837 94.28358 3.560323 -1.650536 
5.259209 
1 1 1 -8  23  28 o 42.39671 4.721131  419.2951       81.22397 372.8097       
117.6919 461.5721       112.2382 39.51487 7.368545 45.27856 5.904309 -5.763687 
9.442262 
1 1 1 -8  23  29 o 73.19758 3.295935  1175.592       100.7339 1236.582       
151.9437 1127.764       134.5546 74.74392 4.842034 71.65124 4.472971 3.092682 
6.591871 
1 1 1 -8  23  30 o 52.15842 3.756740  618.1517       80.25919 584.5127       
125.7224 641.2907       104.2709 50.51362 5.928231 53.80323 4.616108 -3.289616 
7.513480 
1 1 1 -8  23  31 o 25.10796 6.314713  155.6232       80.95226 195.5389       
136.9914 134.2059       100.3470 26.92741 9.590752 23.28850 8.217047 3.638918 
12.62943 
1 1 1 -8  23  32 o 20.05954 5.766269  54.73587       73.58451 162.5772       
129.3816 3.174722       89.46255 24.50804 9.235713 15.61104 6.906592 8.896999 
11.53254 
1 1 1 -8  23  33 o 44.01413 5.160483  494.2002       88.84592 519.4069       
148.5544 480.1631       110.8574 43.37992 8.458551 44.64833 5.913987 -1.268410 
10.32097 
1 1 1 -8  24  1  o 59.29778 3.784043  719.7787       87.74765 845.7925       
160.8689 666.4065       104.6938 62.64638 6.116417 55.94917 4.457058 6.697216 
7.568086 
1 1 1 -8  24  2  o 65.51270 3.960581  949.6629       104.7829 782.6365       
163.0214 1067.244       136.7796 60.22440 6.447529 70.80099 4.601539 -10.57659 
7.921161 
1 1 1 -8  24  3  o 67.49956 3.908478  961.9117       104.9902 1016.916       
181.9386 934.4507       128.5544 68.73132 6.305091 66.26778 4.620675 2.463539 
7.816957 
1 1 1 -8  24  4  o 110.0764 3.476341  2583.793       152.3412 2574.021       
260.1310 2588.894       187.9418 109.6580 5.650320 110.4948 4.051378 
-0.8368225     6.952682 
1 1 1 -8  24  5  o 44.78849 5.466107  493.0481       90.41893 311.0603       
151.5168 593.7031       112.6827 36.80244 9.677222 52.77454 5.085735 -15.97211 
10.93221 
1 1 1 -8  24  6  o 25.50844 6.077470  136.1137       76.56786 113.6451       
123.7528 150.0497       97.46237 24.83836 9.088604 26.17852 8.070927 -1.340158 
12.15494 
1 1 1 -8  24  7  o 38.49822 5.334490  344.2675       81.29626 260.6113       
129.7895 398.2807       104.2894 33.84803 8.982430 43.14841 5.757003 -9.300373 
10.66898 
1 1 1 -8  24  8  o 124.7746 3.091968  3307.854       161.7673 3180.269       
231.4678 3429.668       226.1712 122.3784 4.505123 127.1708 4.236145 -4.792358 
6.183936 
1 1 1 -8  24  9  o 50.82035 3.794533  547.8671       80.69967 592.2491       
120.1584 511.3985       108.9205 52.67400 5.433491 48.96671 5.298217 3.707287 
7.589067 
1 1 1 -8  24  10 o 58.21913 3.575234  718.1248       87.12691 773.4531       
129.4612 672.3184       117.7955 60.24747 5.118253 56.19080 4.993263 4.056675 
7.150468 
1 1 1 -8  24  11 o 61.12556 3.406326  787.3474       86.58450 848.7434       
133.7392 743.0442       113.6072 63.11729 5.046977 59.13384 4.576051 3.983456 
6.812651 
1 1 1 -8  24  12 o 123.0535 3.085897  3206.977       155.4028 3250.416       
249.9949 3179.621       198.3909 123.5789 4.818457 122.5282 3.856619 1.050652 
6.171793 
1 1 1 -8  24  13 o 68.77787 3.252457  1026.633       91.86916 868.3476       
137.8050 1153.258       123.2545 63.79593 5.145092 73.75980 3.980192 -9.963871 
6.504914 
1 1 1 -8  24  14 o 101.0969 4.557081  2174.116       193.4210 2174.116       
193.4210 0.000000       0.000000 101.0969 4.557081 ?        ?        ? ? 
1 1 1 -8  24  15 o 74.51355 3.003058  1179.087       93.43389 1185.455       
139.7525 1173.941       125.6419 74.64954 4.459165 74.37757 4.023590 0.2719650 
6.006116 
1 1 1 -8  24  16 o 84.98917 2.516754  1555.657       87.50808 1400.416       
136.1270 1664.991       114.2404 81.21633 3.992288 88.76202 3.065588 -7.545685 
5.033507 
1 1 1 -8  24  17 o 59.29961 2.712661  747.3333       67.39600 731.0150       
97.86178 762.0555       92.95232 58.65909 3.973735 59.94012 3.693717 -1.281036 
5.425322 
1 1 1 -8  24  18 o 54.27334 3.068046  611.9200       68.85928 724.2670       
109.5859 538.6202       88.51675 58.25678 4.480530 50.28989 4.192430 7.966892 
6.136092 
1 1 1 -8  24  19 o 36.73450 4.490093  285.6728       65.45557 345.9882       
110.9520 253.4750       81.06522 39.21036 6.991217 34.25863 5.636189 4.951725 
8.980186 
1 1 1 -8  24  20 o 67.35736 3.364733  974.6627       92.99446 970.0969       
147.7307 977.6592       119.6822 67.06618 5.246723 67.64854 4.213979 
-0.5823517     6.729466 
1 1 1 -8  24  21 o 28.98115 5.585680  191.0131       68.09438 211.5076       
111.8984 178.9602       85.81253 30.08424 8.490064 27.87806 7.260722 2.206177 
11.17136 
1 1 1 -8  24  22 o 84.50242 3.051964  1521.310       107.8167 1667.533       
161.7944 1404.513       144.6017 88.10098 4.374253 80.90386 4.257210 7.197113 
6.103927 
1 1 1 -8  24  23 o 28.91568 5.701388  190.6616       78.58043 83.76320       
109.9015 302.4753       112.3997 21.87510 8.435871 35.95625 7.671988 -14.08115 
11.40278 
1 1 1 -8  24  24 o 75.70842 2.935412  1228.074       92.49841 1021.063       
126.2943 1467.607       135.8530 68.75498 4.375229 82.66186 3.914581 -13.90688 
5.870824 
1 1 1 -8  24  25 o 57.49810 3.872134  728.4075       92.93315 631.2393       
129.0954 832.9279       133.8903 53.37270 5.761198 61.62350 5.175160 -8.250801 
7.744268 
1 1 1 -8  24  26 o 37.85980 5.130172  337.6056       78.51008 351.5922       
114.9660 325.3829       107.4725 38.54737 7.367247 37.17223 7.141311 1.375145 
10.26034 
1 1 1 -8  24  27 o 22.52800 5.340501  74.02605       77.18056 -102.0841      
113.1127 227.4503       105.5762 14.70298 6.935999 30.35303 8.122543 -15.65005 
10.68100 
1 1 1 -8  24  28 o 33.02458 5.616018  265.6997       80.31765 396.2652       
119.3550 157.6429       108.5806 40.64631 7.255477 25.40285 8.574188 15.24345 
11.23204 
1 1 1 -8  24  29 o 21.31045 5.353144  49.95803       78.15089 -134.3169      
114.4248 211.0740       106.9932 13.88714 6.682055 28.73376 8.365090 -14.84662 
10.70629 
1 1 1 -8  24  30 o 119.8584 3.263585  3205.574       160.0256 3166.379       
255.0893 3231.009       205.4897 118.4436 5.129815 121.2731 4.035958 -2.829475 
6.527171 
1 1 1 -8  24  31 o 44.08693 4.728965  432.9422       81.93935 658.7462       
140.4053 316.3185       100.9046 52.55603 6.363296 35.61783 6.997208 16.93820 
9.457931 
1 1 1 -8  24  32 o 43.36016 5.453835  506.6263       91.20828 431.4998       
148.9087 551.7350       115.3861 38.53445 9.297600 48.18587 5.703676 -9.651417 
10.90767 
1 1 1 -8  25  1  o 114.0305 3.604728  2842.084       168.1725 2546.506       
260.7245 3052.677       220.0732 108.5208 5.722557 119.5403 4.385044 -11.01955 
7.209456 
1 1 1 -8  25  2  o 39.89957 5.463187  427.0283       84.68603 169.3165       
141.5641 570.6514       105.6813 28.18517 9.777556 51.61397 4.876991 -23.42880 
10.92637 
1 1 1 -8  25  3  o 107.8324 3.338357  2492.923       145.2936 2455.412       
240.0351 2514.614       182.5305 106.9192 5.347370 108.7457 3.998017 -1.826530 
6.676713 
1 1 1 -8  25  4  o 40.05341 5.591365  376.3665       85.07246 313.3456       
150.5395 405.9359       103.1168 36.66534 9.648170 43.44147 5.653872 -6.776123 
11.18273 
1 1 1 -8  25  5  o 113.2301 4.090408  2663.160       171.0176 2962.999       
341.3735 2562.696       197.6020 116.7182 6.966462 109.7419 4.288840 6.976318 
8.180816 
1 1 1 -8  25  6  o 88.17224 3.485071  1688.286       123.7720 1555.540       
201.5600 1768.643       156.8221 85.10694 5.641057 91.23755 4.094064 -6.130608 
6.970142 
1 1 1 -8  25  7  o 106.7868 3.810818  2418.819       153.2191 2498.912       
291.6168 2388.277       180.0782 107.5241 6.459929 106.0494 4.044583 1.474678 
7.621636 
1 1 1 -8  25  8  o 49.58625 4.002618  530.4796       82.54614 505.0214       
123.7048 550.9138       110.8293 48.42335 6.084892 50.74915 5.201720 -2.325802 
8.005236 
1 1 1 -8  25  9  o 138.7150 3.170071  4072.989       183.3158 4284.108       
278.9258 3912.458       243.2218 141.7724 4.686172 135.6577 4.270503 6.114624 
6.340142 
1 1 1 -8  25  10 o 63.55737 3.246575  859.0865       85.90627 871.8885       
130.5771 849.3170       114.0690 63.91686 4.866006 63.19789 4.299185 0.7189713 
6.493151 
1 1 1 -8  25  11 o 18.07996 5.418476  10.52168       71.01161 -4.678987      
108.4534 21.92902       93.95162 18.07660 7.809649 18.08332 7.513249 
-0.6715775E-02 10.83695 
1 1 1 -8  25  12 o 18.95316 5.644015  8.324509       77.21963 52.58818       
115.4001 -27.56445      103.9113 21.10867 8.492684 16.79764 7.435989 4.311031 
11.28803 
1 1 1 -8  25  13 o 19.07656 5.297989  31.60739       68.88435 -68.03322      
107.1593 101.7760       89.92554 15.68859 7.179569 22.46452 7.792853 -6.775937 
10.59598 
1 1 1 -8  25  14 o 49.64853 3.687793  520.0542       75.90111 580.7705       
119.2564 478.7138       98.40477 51.99511 5.463114 47.30194 4.955166 4.693165 
7.375587 
1 1 1 -8  25  15 o 128.1885 3.477529  3447.604       167.9364 3680.256       
321.8990 3360.602       196.8484 130.5672 5.872277 125.8098 3.726820 4.757416 
6.955057 
1 1 1 -8  25  16 o 63.27882 5.018555  859.1006       133.3264 859.1006       
133.3264 0.000000       0.000000 63.27882 5.018555 ?        ?        ? ? 
1 1 1 -8  25  17 o 32.59068 5.772093  239.4532       78.54541 298.2642       
121.1167 196.7670       103.1855 35.93047 8.205764 29.25090 8.119954 6.679562 
11.54419 
1 1 1 -8  25  18 o 67.01415 2.794554  935.9385       77.03840 1064.123       
124.7067 856.8312       97.96720 70.57095 4.209057 63.45736 3.677221 7.113586 
5.589107 
1 1 1 -8  25  19 o 39.26842 4.782573  325.1402       75.14822 439.7627       
125.2819 260.7211       93.92055 44.69155 6.677042 33.84529 6.849023 10.84626 
9.565145 
1 1 1 -8  25  20 o 99.89767 2.786605  2105.374       109.5392 2215.643       
193.9363 2053.716       132.7404 101.4892 4.551560 98.30610 3.216205 3.183136 
5.573211 
1 1 1 -8  25  21 o 33.16506 5.338740  254.6727       72.74218 298.4176       
106.9985 217.0792       99.19063 35.90778 7.351043 30.42233 7.744079 5.485445 
10.67748 
1 1 1 -8  25  22 o 73.09663 2.640876  1145.918       80.88619 1100.021       
116.4837 1188.658       112.4060 71.62663 3.873572 74.56663 3.590590 -2.939995 
5.281752 
1 1 1 -8  25  23 o 41.21342 4.726938  387.0508       79.58466 355.1452       
113.8374 417.5526       111.3048 39.07999 7.208926 43.34685 6.116139 -4.266853 
9.453876 
1 1 1 -8  25  24 o 99.74551 3.307942  2161.481       138.3422 2282.053       
202.0034 2054.978       189.8523 102.3405 4.701457 97.15056 4.654699 5.189903 
6.615883 
1 1 1 -8  25  25 o 23.94840 6.087701  126.8263       78.79422 151.1400       
110.0573 101.2588       112.8592 25.36488 8.632297 22.53192 8.586262 2.832962 
12.17540 
1 1 1 -8  25  26 o 23.27868 5.693642  96.38239       77.11440 220.2693       
113.1250 -11.15641      105.3971 29.68291 8.588589 16.87445 7.477057 12.80846 
11.38728 
1 1 1 -8  25  27 o 65.47708 3.419268  947.1511       93.89256 965.5499       
136.4693 930.6138       129.3822 66.01939 4.923621 64.93477 4.745897 1.084625 
6.838536 
1 1 1 -8  25  28 o 66.28493 3.467452  968.9222       96.01881 1104.709       
143.6292 859.1995       129.1104 70.48259 4.853801 62.08726 4.953131 8.395329 
6.934904 
1 1 1 -8  25  29 o 69.01658 3.481085  1077.531       99.74079 957.1154       
145.9702 1182.991       136.6047 64.96645 5.351755 73.06671 4.453147 -8.100266 
6.962169 
1 1 1 -8  25  30 o 17.39749 5.358678  -12.92494      75.73439 94.56342       
118.3097 -87.55091      98.57902 21.29971 8.586844 13.49528 6.413098 7.804430 
10.71736 
1 1 1 -8  25  31 o 82.53802 3.553744  1586.167       119.9079 1487.934       
187.8910 1653.664       155.7471 79.40455 5.636137 85.67149 4.330167 -6.266937 
7.107489 
1 1 1 -8  25  32 o 46.86514 7.820615  742.6870       152.6842 655.8984       
256.5226 790.3029       190.0069 40.00599 13.17892 53.72429 8.424027 -13.71830 
15.64123 
1 1 1 -8  26  1  o 61.18396 3.980612  860.1514       96.12531 626.3315       
149.3540 1025.498       125.5956 53.23503 6.682522 69.13290 4.327237 -15.89787 
7.961223 
1 1 1 -8  26  2  o 85.72752 3.520129  1621.927       116.6720 1485.374       
205.4009 1686.972       141.7618 82.52000 5.928763 88.93504 3.796709 -6.415039 
7.040258 
1 1 1 -8  26  3  o 57.78163 3.800084  752.6805       86.57529 617.8997       
141.7230 832.9196       109.3501 53.14037 6.352385 62.42289 4.172501 -9.282524 
7.600169 
1 1 1 -8  26  4  o 62.16756 4.477913  879.0688       106.8864 746.3484       
185.6600 944.8661       130.7233 57.96912 7.628561 66.36600 4.691681 -8.396889 
8.955826 
1 1 1 -8  26  5  o 64.53387 3.934848  907.8173       103.2418 867.1494       
166.0115 933.4653       131.8372 63.09565 6.267004 65.97209 4.759912 -2.876442 
7.869695 
1 1 1 -8  26  6  o 83.50662 3.611175  1505.379       120.7028 1477.927       
202.8119 1520.435       150.1994 82.60778 5.847813 84.40546 4.238564 -1.797684 
7.222350 
1 1 1 -8  26  7  o 24.56718 5.846866  129.5632       75.30200 45.21721       
125.3591 177.1787       94.18852 21.27488 8.742748 27.85948 7.765803 -6.584599 
11.69373 
1 1 1 -8  26  8  o 27.18634 5.838623  161.2585       73.57972 216.9295       
110.1917 116.4620       98.84538 30.67801 8.338358 23.69467 8.174953 6.983345 
11.67725 
1 1 1 -8  26  9  o 27.29464 5.794718  165.5453       70.94961 190.1975       
110.1700 148.0759       92.74163 28.87054 8.515244 25.71874 7.861657 3.151800 
11.58944 
1 1 1 -8  26  10 o 52.89822 3.704439  608.7256       80.93138 554.3842       
122.5777 650.7213       107.7577 50.64796 5.764619 55.14846 4.654100 -4.500500 
7.408879 
1 1 1 -8  26  11 o 101.8613 2.768249  2224.460       117.4581 2013.337       
171.4236 2411.298       161.2633 97.16611 4.202201 106.5565 3.604763 -9.390373 
5.536499 
1 1 1 -8  26  12 o 124.1233 3.111753  3309.356       161.2051 3054.019       
234.7198 3537.330       221.7866 119.4242 4.681428 128.8225 4.100763 -9.398277 
6.223506 
1 1 1 -8  26  13 o 60.86876 3.463957  814.8846       86.22772 652.0723       
127.5921 951.7541       116.9859 54.94831 5.530830 66.78920 4.172040 -11.84089 
6.927915 
1 1 1 -8  26  14 f 34.27680 5.308599  264.1339       73.43738 303.5803       
115.2680 237.1837       95.27666 36.33975 7.780732 32.21384 7.223926 4.125908 
10.61720 
1 1 1 -8  26  15 o 39.79731 4.893641  355.5120       78.07158 344.5756       
122.4385 363.0051       101.3475 38.73352 7.803142 40.86110 5.907778 -2.127579 
9.787281 
1 1 1 -8  26  16 f 167.7524 3.751501  6114.762       262.3701 5800.994       
388.2656 6378.451       355.9339 163.4330 5.658617 172.0719 4.926976 -8.638916 
7.503002 
1 1 1 -8  26  17 o 13.44863 6.421128  -121.3773      100.6404 0.000000       
0.000000 -121.3773      100.6404 ?        ?        13.44863 6.421128 ? ? 
1 1 1 -8  26  18 o 22.75078 6.222719  76.59653       92.30587 153.1618       
115.5720 -58.28643      153.3965 26.21287 8.845925 19.28869 8.754344 6.924173 
12.44544 
1 1 1 -8  26  19 o 103.4760 3.164742  2301.073       137.0457 2371.567       
203.2623 2242.317       185.5680 104.8404 4.617949 102.1116 4.328617 2.728859 
6.329484 
1 1 1 -8  26  20 o 44.04948 4.497832  445.1032       76.56908 399.8118       
126.3883 471.3648       96.24082 41.50094 7.531360 46.59802 4.919409 -5.097080 
8.995665 
1 1 1 -8  26  21 f 21.83029 5.486454  65.67743       72.77023 187.6606       
106.5536 -40.94931      99.62110 28.07877 8.395757 15.58181 7.065123 12.49696 
10.97291 
1 1 1 -8  26  22 o 83.83299 3.005607  1518.143       105.5453 1384.477       
147.0685 1660.098       151.5600 79.95494 4.381223 87.71105 4.115771 -7.756111 
6.011213 
1 1 1 -8  26  23 o 27.18958 5.896563  177.7550       73.78973 194.6583       
105.5812 161.6150       103.1694 28.32232 8.330451 26.05684 8.347538 2.265480 
11.79313 
1 1 1 -8  26  24 o 36.69479 5.070271  317.9081       75.40592 299.7453       
116.1235 331.1509       99.15553 35.06359 8.053343 38.32598 6.162327 -3.262383 
10.14054 
1 1 1 -8  26  25 o 16.50559 5.240830  -25.75727      76.12320 -44.02766      
110.3811 -9.186888      105.1204 16.10540 7.340534 16.90578 7.482097 
-0.8003769     10.48166 
1 1 1 -8  26  26 o 94.47215 3.258617  1968.323       128.7070 1931.722       
189.6628 1999.566       175.2309 93.43388 4.835026 95.51043 4.369996 -2.076553 
6.517234 
1 1 1 -8  26  27 o 48.09671 4.061943  530.0606       81.22361 482.1324       
119.2758 571.5048       110.9145 45.73982 6.211248 50.45360 5.236212 -4.713776 
8.123886 
1 1 1 -8  26  28 o 57.99786 3.719617  765.8391       89.56481 649.5237       
127.4826 879.2133       125.8605 53.25320 5.701987 62.74252 4.778027 -9.489323 
7.439234 
1 1 1 -8  26  29 o 28.89712 5.974783  224.1520       77.22658 238.0367       
106.5655 208.7953       112.0723 29.98884 8.221846 27.80540 8.671412 2.183447 
11.94957 
1 1 1 -8  26  30 o 21.33223 5.741478  107.5844       76.72708 25.49646       
121.2804 162.3636       99.07373 18.20146 8.048504 24.46300 8.190231 -6.261539 
11.48296 
1 1 1 -8  26  31 o 47.92881 4.887194  566.5336       96.29849 652.5407       
155.9415 513.5186       122.4319 50.20716 7.398046 45.65047 6.388080 4.556694 
9.774387 
1 1 1 -8  27  1  o 51.82805 4.055319  582.2563       85.11148 626.3810       
142.2272 557.6397       106.2323 53.04467 6.386485 50.61143 4.999527 2.433247 
8.110639 
1 1 1 -8  27  2  o 44.67869 5.171403  513.9453       82.37064 314.7266       
141.4383 616.1918       101.3272 35.93641 9.303889 53.42097 4.517885 -17.48457 
10.34281 
1 1 1 -8  27  3  o 33.12332 5.602913  285.6558       85.22559 91.82561       
141.4435 396.1386       106.7873 23.80623 9.468461 42.44041 5.993230 -18.63418 
11.20583 
1 1 1 -8  27  4  o 61.25058 3.996142  839.0267       98.08101 744.2094       
159.1478 897.0942       124.5441 57.98922 6.536940 64.51195 4.598372 -6.522728 
7.992284 
1 1 1 -8  27  5  o 73.50876 3.741828  1172.152       110.1659 1176.128       
185.7383 1169.994       136.8332 73.23599 6.040849 73.78152 4.417381 
-0.5455322     7.483656 
1 1 1 -8  27  6  o 30.27176 5.829716  163.9629       84.50560 398.9264       
142.1671 35.58603       105.0853 41.23856 8.501903 19.30497 7.978722 21.93359 
11.65943 
1 1 1 -8  27  7  o 57.02026 3.902015  682.4986       89.44695 790.6711       
154.3128 627.7629       109.7687 60.08383 6.117381 53.95670 4.845673 6.127129 
7.804030 
1 1 1 -8  27  8  o 83.32413 3.307612  1492.670       110.2802 1496.992       
186.4497 1490.345       136.7691 83.10820 5.343661 83.54005 3.899548 
-0.4318542     6.615224 
1 1 1 -8  27  9  o 69.12683 2.977497  1000.701       84.98909 1146.586       
135.8945 906.9862       108.9185 73.10189 4.427864 65.15176 3.981955 7.950127 
5.954993 
1 1 1 -8  27  10 o 90.75940 2.860084  1763.267       108.5696 1733.161       
159.8300 1789.062       147.9396 89.96143 4.231779 91.55737 3.848683 -1.595947 
5.720168 
1 1 1 -8  27  11 o 78.20236 3.040279  1315.081       99.45264 1235.871       
143.8867 1387.538       137.6173 75.85633 4.518037 80.54840 4.069463 -4.692070 
6.080558 
1 1 1 -8  27  12 o 105.8812 2.881308  2385.005       125.2415 2462.113       
200.5027 2335.671       160.3779 107.0799 4.459985 104.6825 3.649148 2.397316 
5.762616 
1 1 1 -8  27  13 o 35.42051 5.123322  283.4234       73.12408 330.3060       
112.5220 249.1487       96.20957 37.94753 7.324173 32.89349 7.165904 5.054043 
10.24664 
1 1 1 -8  27  14 o 19.34584 5.633309  37.10612       71.82310 49.29184       
117.2769 29.79275       90.85435 20.71088 8.474391 17.98080 7.424378 2.730074 
11.26662 
1 1 1 -8  27  15 o 68.70995 3.266309  1008.920       91.47964 1053.903       
149.6387 982.0753       115.5965 69.72083 5.112138 67.69907 4.067082 2.021759 
6.532619 
1 1 1 -8  27  16 o 101.8440 2.990158  2205.666       126.0559 2361.051       
198.0120 2099.782       163.4567 104.6714 4.505932 99.01669 3.932017 5.654671 
5.980316 
1 1 1 -8  27  17 o 56.24374 3.618607  685.4754       85.24956 726.4250       
125.9019 650.8052       115.8469 57.76025 5.191876 54.72722 5.041993 3.033031 
7.237214 
1 1 1 -8  27  18 o 64.95412 3.722017  923.2267       100.8222 1054.767       
143.9624 796.6055       141.2447 69.66283 4.922312 60.24540 5.584307 9.417423 
7.444034 
1 1 1 -8  27  19 o 46.78439 6.236562  487.2225       122.4969 0.000000       
0.000000 487.2225       122.4969 ?        ?        46.78439 6.236562 ? ? 
1 1 1 -8  27  20 o 25.54498 6.335000  146.8593       84.78675 117.7576       
121.0550 174.8822       118.7902 23.92578 8.949838 27.16419 8.968239 -3.238407 
12.67000 
1 1 1 -8  27  21 o 44.99234 4.684148  450.2055       87.56943 406.0575       
114.2637 513.0413       136.3188 42.46819 6.408635 47.51650 6.833328 -5.048317 
9.368297 
1 1 1 -8  27  22 o 31.04650 5.670545  232.5248       76.13702 307.8672       
111.2117 166.0608       104.4537 35.82378 7.622266 26.26922 8.397700 9.554567 
11.34109 
1 1 1 -8  27  23 o 43.96097 4.436586  440.2509       81.38081 410.6593       
118.7831 466.4285       111.7210 42.34295 6.681818 45.57899 5.838362 -3.236042 
8.873172 
1 1 1 -8  27  24 o 52.97540 3.640671  625.1669       80.67686 574.1711       
115.0721 674.4653       113.1410 50.69472 5.406652 55.25607 4.877093 -4.561356 
7.281341 
1 1 1 -8  27  25 o 22.95151 5.789497  100.5399       75.39992 203.4661       
114.6823 22.17369       100.0686 28.22739 8.765548 17.67562 7.565598 10.55177 
11.57899 
1 1 1 -8  27  26 o 49.66586 4.016237  563.3130       83.28346 527.1816       
121.2927 595.5430       114.5569 47.90916 6.030274 51.42255 5.306263 -3.513393 
8.032475 
1 1 1 -8  27  27 o 26.01486 5.617173  167.9809       71.58163 247.6850       
102.6065 92.40978       99.91079 31.16450 7.842538 20.86522 8.043949 10.29928 
11.23435 
1 1 1 -8  27  28 o 35.35570 5.513639  317.4936       78.68534 350.3701       
123.2600 294.8810       102.2245 36.55296 8.230248 34.15844 7.339202 2.394516 
11.02728 
1 1 1 -8  27  29 o 56.49322 3.995334  740.1014       93.84914 840.4377       
145.5811 668.7537       122.7626 59.52364 5.825547 53.46280 5.469348 6.060841 
7.990668 
1 1 1 -8  27  30 o 18.89893 5.801852  46.52175       88.59651 -26.50281      
139.4137 95.99120       114.7465 17.28434 8.019835 20.51351 8.386190 -3.229177 
11.60370 
1 1 1 -8  28  1  o 31.18224 6.031757  200.9836       83.59991 396.3892       
144.1033 101.8549       102.6373 40.12191 8.795251 22.24257 8.256630 17.87934 
12.06351 
1 1 1 -8  28  2  o 28.21433 6.122606  186.1087       75.48413 213.0638       
134.3292 173.6690       91.25457 29.44680 9.534285 26.98186 7.683919 2.464945 
12.24521 
1 1 1 -8  28  3  o 27.43292 6.067679  182.9380       83.85879 81.56728       
133.2934 249.3450       107.8846 22.65555 9.122271 32.21029 8.003194 -9.554737 
12.13536 
1 1 1 -8  28  4  o 45.03404 4.589458  442.1783       85.57619 534.0070       
135.2233 380.8315       110.5245 48.78230 6.602528 41.28578 6.376452 7.496513 
9.178917 
1 1 1 -8  28  5  o 81.10724 3.683497  1406.165       120.3083 1552.040       
204.8388 1329.344       148.6487 83.84725 5.818947 78.36722 4.518016 5.480034 
7.366995 
1 1 1 -8  28  6  o 91.18890 3.703201  1834.745       138.1693 1723.675       
217.2383 1910.200       179.0528 88.40493 5.853034 93.97287 4.538369 -5.567940 
7.406402 
1 1 1 -8  28  7  o 65.00325 3.825477  948.0333       97.07444 853.6776       
166.7023 996.4460       119.4089 61.96152 6.408265 68.04497 4.179861 -6.083443 
7.650954 
1 1 1 -8  28  8  o 59.37474 3.934513  787.5569       94.09704 711.3485       
151.7753 835.1378       119.9268 56.59869 6.387279 62.15079 4.596111 -5.552097 
7.869026 
1 1 1 -8  28  9  o 52.16428 3.631013  602.2779       78.04456 508.7401       
115.2746 681.4376       106.0455 48.14361 5.703164 56.18494 4.495658 -8.041336 
7.262026 
1 1 1 -8  28  10 o 35.38232 5.509369  298.4911       79.74593 247.4728       
117.0965 342.6203       108.9041 32.14723 8.532288 38.61741 6.972278 -6.470177 
11.01874 
1 1 1 -8  28  11 o 31.81927 5.679719  242.1261       75.94777 216.8227       
113.6424 262.5488       102.0958 30.13120 8.572932 33.50735 7.452628 -3.376146 
11.35944 
1 1 1 -8  28  12 o 32.53350 5.523166  247.9409       74.18130 269.6632       
112.2855 231.1173       98.81683 33.72021 8.034570 31.34680 7.580709 2.373404 
11.04633 
1 1 1 -8  28  13 o 87.67605 3.112181  1661.621       113.9187 1628.905       
169.2537 1688.716       154.0308 86.74880 4.647247 88.60329 4.140747 -1.854492 
6.224363 
1 1 1 -8  28  14 o 67.67574 3.214731  978.6196       88.63919 1041.183       
145.7202 941.8747       111.6757 69.15206 5.019214 66.19941 4.018144 2.952652 
6.429462 
1 1 1 -8  28  15 o 60.65521 3.488709  778.4760       87.56937 954.2875       
138.4114 661.1329       113.0777 66.18410 4.981259 55.12631 4.885839 11.05779 
6.977418 
1 1 1 -8  28  16 o 80.57394 3.104182  1397.716       102.6276 1435.824       
164.2462 1373.309       131.4470 81.22808 4.816264 79.91980 3.917575 1.308281 
6.208365 
1 1 1 -8  28  17 f 97.65623 3.078063  2062.336       125.4477 2083.231       
188.2444 2045.644       168.2537 97.94421 4.577880 97.36826 4.115932 0.5759506 
6.156126 
1 1 1 -8  28  18 o 18.53465 5.665400  9.633060       81.03429 -8.777972      
114.9679 27.81019       114.2352 17.85047 7.872084 19.21883 8.149682 -1.368362 
11.33080 
1 1 1 -8  28  19 o 42.07174 5.043741  412.4867       86.18259 351.4064       
121.9535 473.4213       121.8078 38.29166 7.856122 45.85182 6.327610 -7.560165 
10.08748 
1 1 1 -8  28  20 o 52.83681 4.218119  626.6926       92.95807 714.9885       
133.0102 542.3899       129.9677 56.68594 5.588954 48.98768 6.319311 7.698261 
8.436237 
1 1 1 -8  28  21 o 25.10242 10.75895  85.16801       202.8511 0.000000       
0.000000 85.16801       202.8511 ?        ?        25.10242 10.75895 ? ? 
1 1 1 -8  28  22 o 43.44439 5.276905  448.3498       94.34518 443.9532       
133.8942 452.6851       132.9592 42.85628 7.723610 44.03249 7.192270 -1.176216 
10.55381 
1 1 1 -8  28  23 o 22.17278 5.836749  95.24522       76.18742 165.4910       
111.0317 32.74165       104.7344 25.87578 8.670426 18.46977 7.816282 7.406015 
11.67350 
1 1 1 -8  28  24 o 67.73735 3.222784  1017.245       91.20612 939.0628       
131.7006 1089.296       126.4306 65.02500 4.824236 70.44971 4.274586 -5.424706 
6.445568 
1 1 1 -8  28  25 o 71.52000 3.203022  1142.849       93.78078 1080.950       
147.3600 1184.984       121.5794 69.41885 5.056187 73.62115 3.933494 -4.202293 
6.406044 
1 1 1 -8  28  26 o 64.36155 3.414768  944.6684       90.23252 826.9617       
136.5482 1035.910       120.2214 60.22203 5.400721 68.50107 4.180283 -8.279037 
6.829535 
1 1 1 -8  28  27 o 39.56194 5.172271  403.8637       81.53912 302.5122       
121.5904 486.6908       109.9184 33.42306 8.613351 45.70082 5.728852 -12.27776 
10.34454 
1 1 1 -8  28  28 o 42.82205 4.975906  463.0561       87.03646 438.4008       
125.8864 485.6349       120.4685 41.01683 7.595842 44.62727 6.429755 -3.610432 
9.951813 
1 1 1 -8  28  29 o 16.15496 5.260023  -26.88477      83.67296 -69.79025      
126.2942 6.681662       111.7068 15.49631 7.315751 16.81360 7.559837 -1.317292 
10.52005 
1 1 1 -8  29  1  o 31.68549 6.219011  243.3351       84.32610 321.7933       
136.9299 195.4004       107.0297 35.38784 9.150914 27.98314 8.424083 7.404701 
12.43802 
1 1 1 -8  29  2  o 71.59711 3.977009  1168.996       109.1322 1086.207       
194.6415 1206.955       131.7973 68.73885 6.744568 74.45538 4.216301 -5.716522 
7.954018 
1 1 1 -8  29  3  o 35.02788 5.668311  251.5820       87.63702 522.9465       
149.6385 109.9134       108.1194 47.29559 7.536048 22.76017 8.469177 24.53542 
11.33662 
1 1 1 -8  29  4  o 75.90106 3.901281  1302.183       118.4000 1196.917       
194.7984 1363.854       149.1026 72.71684 6.380745 79.08529 4.490664 -6.368454 
7.802562 
1 1 1 -8  29  5  o 80.04213 3.783408  1409.370       120.6801 1438.648       
206.1504 1394.106       148.8508 80.03557 6.135108 80.04868 4.429126 
-0.1311493E-01 7.566816 
1 1 1 -8  29  6  o 24.78892 6.466055  133.0606       87.32735 136.8260       
141.5596 130.7473       110.9559 25.36552 9.630769 24.21232 8.630629 1.153200 
12.93211 
1 1 1 -8  29  7  o 36.65688 6.144133  317.0087       89.48162 378.0288       
154.0503 285.9372       109.9278 38.76926 9.521122 34.54451 7.768507 4.224747 
12.28827 
1 1 1 -8  29  8  o 94.87464 3.629016  1980.096       128.7398 1963.433       
244.1798 1986.511       151.5085 93.63579 6.211390 96.11349 3.754686 -2.477707 
7.258033 
1 1 1 -8  29  9  o 24.63313 6.160709  128.7262       76.43915 167.1041       
131.6814 109.2221       93.87441 26.80379 9.417435 22.46246 7.945392 4.341333 
12.32142 
1 1 1 -8  29  10 f 47.78606 4.021766  503.5970       79.51546 518.6360       
123.9910 493.0914       103.6316 48.18845 6.128701 47.38368 5.209360 0.8047676 
8.043531 
1 1 1 -8  29  11 o 91.24306 2.905740  1795.278       109.6503 1813.328       
170.6096 1782.576       143.1240 91.41605 4.445311 91.07008 3.743328 0.3459778 
5.811480 
1 1 1 -8  29  12 o 98.06952 3.286990  2083.990       130.7483 2131.719       
215.2789 2056.095       164.5794 98.51043 5.205235 97.62862 4.015312 0.8818130 
6.573980 
1 1 1 -8  29  13 o 52.43313 3.813021  596.1754       83.07636 729.0117       
126.1630 494.4836       110.3867 57.58477 5.218496 47.28149 5.560917 10.30328 
7.626041 
1 1 1 -8  29  14 o 15.09296 4.929619  -63.19327      72.84754 -65.42248      
110.2173 -61.46403      97.07383 15.59042 7.194261 14.59551 6.741454 0.9949036 
9.859239 
1 1 1 -8  29  15 o 30.81004 5.881387  246.4501       88.15067 81.17696       
140.0889 354.7869       113.4202 22.78137 9.281847 38.83870 7.225659 -16.05732 
11.76277 
1 1 1 -8  29  16 o 89.87575 3.132693  1761.348       117.4912 1722.489       
174.7938 1793.376       158.6868 88.77797 4.689664 90.97353 4.154768 -2.195564 
6.265385 
1 1 1 -8  29  17 o 26.36057 5.766286  161.9286       83.05033 10.72206       
128.0788 271.6316       109.0940 19.28793 8.411270 33.43322 7.889916 -14.14529 
11.53257 
1 1 1 -8  29  18 o 118.6637 3.816733  3121.232       189.8350 2893.292       
261.5478 3374.998       275.9666 114.0161 5.463940 123.3112 5.330586 -9.295135 
7.633465 
1 1 1 -8  29  19 o 53.78666 4.207880  652.8286       94.90549 690.9515       
134.7619 615.3164       133.6779 55.44518 5.789277 52.12814 6.108134 3.317043 
8.415761 
1 1 1 -8  29  20 o 50.22596 4.507501  578.3721       94.78746 612.7352       
132.5972 542.4611       135.5510 51.94183 6.080487 48.51009 6.655669 3.431740 
9.015001 
1 1 1 -8  29  21 o 83.48259 3.780588  1558.350       132.3905 1501.484       
182.6392 1621.313       192.1819 81.91527 5.310680 85.04991 5.382198 -3.134644 
7.561176 
1 1 1 -8  29  22 o 69.10164 3.745535  1065.718       108.3071 962.1588       
147.2275 1187.864       159.8942 65.40977 5.361264 72.79351 5.231919 -7.383736 
7.491070 
1 1 1 -8  29  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  29  24 o 42.48938 5.705001  454.5346       99.51217 496.5647       
140.5560 412.2939       140.9076 45.23103 7.401742 39.74773 8.683455 5.483295 
11.41000 
1 1 1 -8  29  25 o 52.41866 3.808048  620.0240       82.72052 688.5051       
129.9626 573.3864       107.2508 54.57566 5.672054 50.26166 5.082589 4.313999 
7.616095 
1 1 1 -8  29  26 o 32.79697 5.696623  277.7279       78.02928 370.5629       
121.5778 212.7033       101.7507 37.53514 7.957251 28.05878 8.154031 9.476360 
11.39325 
1 1 1 -8  29  27 o 17.28557 5.370741  8.504806       75.28730 82.45533       
117.6432 -42.78966      97.97861 20.12649 8.387566 14.44464 6.710304 5.681845 
10.74148 
1 1 1 -8  29  28 o 33.79813 5.762043  324.2543       81.89761 259.1979       
122.5292 376.7871       110.1057 29.48989 9.040921 38.10636 7.146071 -8.616463 
11.52409 
1 1 1 -8  30  1  o 69.47379 4.071267  1097.331       117.4092 1129.000       
180.7420 1074.212       154.4289 69.94018 6.155358 69.00739 5.330330 0.9327927 
8.142533 
1 1 1 -8  30  2  o 20.47781 6.076932  49.14191       87.56423 100.6738       
136.6162 13.21038       114.0780 22.80627 9.213618 18.14934 7.926263 4.656935 
12.15386 
1 1 1 -8  30  3  o 52.35643 4.345469  594.1807       92.41675 769.4393       
156.9380 501.1426       114.3454 57.70854 6.477525 47.00433 5.794312 10.70421 
8.690937 
1 1 1 -8  30  4  o 23.02397 6.222175  114.2420       83.67165 76.86551       
141.0940 134.5162       103.9158 22.18126 9.211019 23.86668 8.367733 -1.685411 
12.44435 
1 1 1 -8  30  5  o 58.96461 4.298573  778.6066       101.0115 827.3801       
173.8373 753.7439       124.1150 59.65680 6.940713 58.27242 5.073205 1.384388 
8.597145 
1 1 1 -8  30  6  o 25.45230 6.222801  155.1920       83.96720 95.10404       
126.9560 201.9146       111.9497 22.52850 8.967254 28.37611 8.630259 -5.847603 
12.44560 
1 1 1 -8  30  7  o 42.30165 4.871459  402.9565       84.99454 471.2802       
136.5970 359.7916       108.5726 44.95216 7.237885 39.65113 6.522075 5.301033 
9.742917 
1 1 1 -8  30  8  o 28.48124 5.558425  208.8559       81.08015 37.31628       
129.6993 318.8976       103.8806 20.26412 8.641379 36.69836 6.993636 -16.43425 
11.11685 
1 1 1 -8  30  9  o 56.28439 4.327641  667.2606       94.65216 852.4568       
177.6004 593.7897       111.8626 60.77259 6.960769 51.79618 5.144086 8.976402 
8.655283 
1 1 1 -8  30  10 o 87.59312 3.051888  1666.780       111.8928 1734.810       
165.9856 1610.115       151.4870 89.13644 4.435435 86.04980 4.193208 3.086632 
6.103776 
1 1 1 -8  30  11 o 57.68609 3.700111  725.2720       88.81459 836.4009       
137.1462 645.0060       116.5563 61.37577 5.322404 53.99640 5.141528 7.379375 
7.400223 
1 1 1 -8  30  12 o 63.85159 3.445051  894.7845       91.93078 924.2052       
137.5373 871.0257       123.5967 64.67814 5.065055 63.02505 4.671051 1.653091 
6.890101 
1 1 1 -8  30  13 o 61.37698 3.692144  830.9415       94.49326 872.3755       
143.4597 799.1895       125.5845 62.56759 5.461368 60.18637 4.970028 2.381214 
7.384289 
1 1 1 -8  30  14 o 18.60981 5.653631  19.40629       78.64999 41.29615       
121.1161 3.444721       103.4233 19.93923 8.420121 17.28039 7.546903 2.658848 
11.30726 
1 1 1 -8  30  15 o 63.04800 3.896105  889.5574       102.6861 877.2139       
151.5828 900.0261       139.5967 62.44908 5.781557 63.64693 5.224188 -1.197845 
7.792210 
1 1 1 -8  30  16 o 46.16716 5.160717  494.0170       93.52773 727.1838       
142.5901 317.9531       123.9057 56.66779 5.993412 35.66652 8.403037 21.00127 
10.32143 
1 1 1 -8  30  17 f 48.18470 4.504911  522.4111       90.24897 608.2999       
139.9276 461.2337       118.0947 51.44455 6.478657 44.92486 6.261302 6.519684 
9.009823 
1 1 1 -8  30  18 o 65.52394 3.915277  979.5552       104.4006 898.9760       
164.6866 1033.695       134.9915 62.62365 6.263843 68.42423 4.699131 -5.800579 
7.830553 
1 1 1 -8  30  19 o 39.12744 5.650620  379.5446       89.67758 336.5459       
124.6060 425.7459       129.1632 36.52867 8.309958 41.72621 7.659153 -5.197540 
11.30124 
1 1 1 -8  30  20 o 36.72532 5.763128  338.7915       89.84792 230.3980       
124.9128 454.9879       129.3306 29.57779 9.140782 43.87286 7.021445 -14.29506 
11.52626 
1 1 1 -8  30  21 f 20.61900 5.839308  42.57160       84.72369 165.4135       
124.2012 -64.33796      115.8673 25.58186 9.130002 15.65614 7.282386 9.925725 
11.67862 
1 1 1 -8  30  22 o 18.08061 5.626266  4.864541       84.80134 -48.05134      
123.5911 51.93968       116.5709 16.55817 7.632232 19.60304 8.268526 -3.044876 
11.25253 
1 1 1 -8  30  23 o 20.13807 5.997691  59.00491       88.02225 15.73243       
129.3956 96.27677       120.0892 18.73475 8.295137 21.54138 8.664865 -2.806633 
11.99538 
1 1 1 -8  30  24 o 17.36707 5.572604  -12.44938      88.18764 -4.476702      
127.5588 -19.74895      122.0554 17.75344 8.025049 16.98071 7.733968 0.7727299 
11.14521 
1 1 1 -8  30  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -8  30  26 o 20.97210 6.042808  103.8683       83.43472 86.11733       
134.8292 114.8841       106.2140 20.63957 8.806334 21.30462 8.277112 
-0.6650543     12.08562 
1 1 1 -8  31  1  o 67.64873 4.322397  1085.190       121.8548 1016.622       
178.8679 1144.573       166.4580 65.09649 6.544794 70.20096 5.647844 -5.104469 
8.644794 
1 1 1 -8  31  2  o 60.71708 4.382428  858.0044       109.9564 910.3965       
172.9402 822.4536       142.4584 61.74844 6.671002 59.68572 5.685106 2.062717 
8.764856 
1 1 1 -8  31  3  o 60.28591 4.268649  848.8746       105.4767 813.2424       
165.1898 873.4021       137.0529 58.51590 6.724041 62.05592 5.260487 -3.540016 
8.537297 
1 1 1 -8  31  4  o 41.62915 5.831993  439.5918       98.73833 418.4592       
150.9100 455.4101       130.5636 39.65046 9.229886 43.60784 7.131462 -3.957386 
11.66399 
1 1 1 -8  31  5  o 28.62144 5.902917  221.5773       90.28378 32.32485       
147.3465 335.3418       114.2411 20.51558 8.983494 36.72731 7.659933 -16.21173 
11.80583 
1 1 1 -8  31  6  o 36.66019 6.131973  356.6949       92.87946 292.2271       
155.8802 392.1808       115.6506 32.43250 10.24771 40.88789 6.737118 -8.455395 
12.26395 
1 1 1 -8  31  7  o 41.35980 5.796331  448.7564       92.60040 350.3133       
156.4676 501.8223       114.8787 35.80200 10.01881 46.91760 5.832096 -11.11560 
11.59266 
1 1 1 -8  31  8  o 27.79994 6.470642  194.5915       82.81144 206.5459       
154.1897 189.7453       98.17197 28.12007 10.15899 27.47981 8.016960 0.6402664 
12.94128 
1 1 1 -8  31  9  o 74.48196 3.662764  1267.500       108.0185 1147.620       
180.2495 1334.678       134.9311 70.82591 6.061820 78.13802 4.113114 -7.312111 
7.325529 
1 1 1 -8  31  10 o 30.60026 6.477183  229.3108       84.00229 294.2401       
154.1327 201.8766       100.1892 32.85482 10.15382 28.34569 8.044593 4.509132 
12.95437 
1 1 1 -8  31  11 f 30.44343 5.944466  233.8206       77.55337 248.5107       
121.5586 223.7368       100.7130 30.97747 8.883478 29.90939 7.901298 1.068079 
11.88893 
1 1 1 -8  31  12 o 24.49680 6.183678  143.5192       79.18490 138.1449       
129.0457 146.7649       100.2845 24.46245 9.222354 24.53115 8.240126 
-0.6870270E-01 12.36736 
1 1 1 -8  31  13 o 18.67916 5.785394  13.11370       86.36320 -29.82703      
140.0577 39.45762       109.7015 18.36819 8.344135 18.99013 8.016142 
-0.6219349     11.57079 
1 1 1 -8  31  14 o 43.41261 5.418833  461.4022       93.92973 435.0383       
147.2266 479.4995       121.9801 41.26318 8.763026 45.56205 6.376862 -4.298866 
10.83767 
1 1 1 -8  31  15 o 81.56560 3.504086  1477.802       119.3513 1529.634       
179.3884 1436.635       159.8693 82.63437 5.170764 80.49682 4.730505 2.137550 
7.008172 
1 1 1 -8  31  16 o 36.32708 5.851055  326.1906       87.29940 425.4156       
134.2891 253.5643       114.8886 41.29657 8.032106 31.35759 8.510267 9.938988 
11.70211 
1 1 1 -8  31  17 o 28.50501 6.147759  214.7623       86.83901 114.5174       
131.3961 292.5035       115.7115 23.14683 9.151186 33.86320 8.211915 -10.71637 
12.29552 
1 1 1 -8  31  18 o 22.53209 6.226876  109.0596       86.30409 75.55300       
130.2842 135.2596       115.2066 21.31131 8.850537 23.75286 8.761502 -2.441547 
12.45375 
1 1 1 -8  31  19 o 35.63886 6.077502  306.2302       90.90009 498.9482       
149.7888 193.8830       114.3667 44.13644 8.386518 27.14128 8.798320 16.99517 
12.15500 
1 1 1 -8  31  20 o 86.85321 5.667517  1861.552       200.5759 1768.418       
253.3276 2018.036       328.3685 85.58364 7.050385 88.12277 8.875531 -2.539131 
11.33503 
1 1 1 -8  31  21 o 33.80296 5.657444  284.2805       89.94467 501.9628       
135.9677 114.9019       119.9371 45.28753 7.151188 22.31838 8.768534 22.96915 
11.31489 
1 1 1 -8  31  22 o 20.76487 6.068839  77.84473       87.65005 135.6016       
127.4493 26.01314       120.7349 23.17429 9.053810 18.35545 8.084043 4.818842 
12.13768 
1 1 1 -8  31  23 o 33.42461 5.555668  269.2055       94.87653 578.4138       
147.4671 50.81757       123.9322 47.67344 7.367835 19.17577 8.317260 28.49766 
11.11134 
1 1 1 -8  31  24 o 35.42142 5.919699  342.4642       95.75470 550.4344       
143.9889 177.5648       128.2148 46.14695 7.432023 24.69590 9.216092 21.45106 
11.83940 
1 1 1 -8  32  1  o 23.80474 6.551127  154.5786       97.08805 224.9083       
140.1546 89.69463       134.6192 26.87814 9.688048 20.73135 8.821043 6.146790 
13.10225 
1 1 1 -8  32  2  o 16.39743 5.429834  -49.95284      93.56200 -55.70894      
139.3334 -45.22597      126.2634 16.62563 7.803531 16.16923 7.552305 0.4563923 
10.85967 
1 1 1 -8  32  3  o 26.18971 6.622204  199.0803       97.12583 119.9945       
143.2971 266.2882       132.0986 22.44728 9.299656 29.93214 9.430309 -7.484858 
13.24441 
1 1 1 -8  32  4  o 31.46429 6.829510  279.3291       98.99231 386.0945       
156.6117 208.2900       127.7490 35.97376 10.00930 26.95483 9.294230 9.018934 
13.65902 
1 1 1 -8  32  5  o 20.47424 5.622524  -4.832050      90.77499 223.1707       
126.9087 -243.6871      129.8938 28.11785 9.269632 12.83063 6.365925 15.28722 
11.24505 
1 1 1 -8  32  6  o 16.24663 5.416668  -80.06731      93.21870 -61.59122      
148.9782 -91.95585      119.5039 17.52319 8.192029 14.97007 7.088854 2.553117 
10.83334 
1 1 1 -8  32  7  o 28.04942 6.671460  201.5972       88.78181 283.8628       
154.5869 161.1076       108.4513 31.20433 10.23065 24.89452 8.565475 6.309816 
13.34292 
1 1 1 -8  32  8  o 24.94304 6.698505  151.2186       94.04261 196.5127       
155.1833 124.9299       118.2246 26.89943 10.11913 22.98666 8.779696 3.912775 
13.39701 
1 1 1 -8  32  9  o 23.91863 6.503548  138.5965       92.14697 98.55986       
156.1863 159.9731       114.1256 22.88781 9.608462 24.94945 8.767098 -2.061640 
13.00710 
1 1 1 -8  32  10 o 21.68176 6.381903  76.08916       92.62780 127.1321       
155.7910 48.17852       115.2019 24.01648 9.787167 19.34703 8.193053 4.669455 
12.76381 
1 1 1 -8  32  11 o 58.20409 3.709743  768.3528       90.43222 758.3839       
131.8703 777.2028       124.2505 57.68134 5.445438 58.72683 5.039444 -1.045498 
7.419487 
1 1 1 -8  32  12 o 74.69922 3.580915  1226.804       110.5105 1440.990       
176.5598 1088.847       141.6992 79.70383 5.276351 69.69461 4.842719 10.00922 
7.161830 
1 1 1 -8  32  13 o 41.24672 5.414341  429.4163       90.23656 355.3976       
132.9413 492.6545       122.8794 36.69444 8.741863 45.79901 6.390634 -9.104568 
10.82868 
1 1 1 -8  32  14 o 41.61431 5.580573  442.2411       93.77840 377.8266       
140.9622 493.3866       125.6073 37.55172 9.037094 45.67691 6.549968 -8.125187 
11.16115 
1 1 1 -8  32  15 o 53.24902 4.423829  668.4824       98.16273 622.4249       
143.8007 708.6722       134.3289 51.10893 6.701706 55.38910 5.776521 -4.280170 
8.847658 
1 1 1 -8  32  16 o 35.51264 6.142804  334.7261       92.58226 434.5794       
135.3928 247.0302       126.8832 41.09785 8.136289 29.92742 9.205268 11.17043 
12.28561 
1 1 1 -8  32  17 o 58.48722 4.294892  806.1260       104.8960 736.0841       
150.4623 872.3601       146.3152 55.61625 6.443876 61.35820 5.679863 -5.741951 
8.589784 
1 1 1 -8  32  18 o 16.03565 5.310195  -197.5931      92.94640 84.01869       
146.2901 -388.2291      120.3627 21.61974 9.197153 10.45155 5.310844 11.16819 
10.62039 
1 1 1 -8  32  19 o 20.55360 6.133835  70.03496       90.64516 120.2741       
137.5464 31.46520       120.5180 22.59913 9.200704 18.50806 8.114357 4.091072 
12.26767 
1 1 1 -8  32  20 o 24.18032 6.285804  144.1343       86.75284 247.6321       
133.9316 69.32069       113.8696 28.80015 9.522663 19.56048 8.207570 9.239670 
12.57161 
1 1 1 -8  32  21 f 31.53707 5.915305  267.9349       91.27681 472.2811       
136.7303 103.6600       122.5935 41.91350 8.057705 21.16064 8.662374 20.75285 
11.83061 
1 1 1 -8  32  22 o 25.06575 6.723736  188.2524       97.60332 181.6689       
139.8397 194.5060       136.2925 24.72364 9.519621 25.40785 9.497965 
-0.6842175     13.44747 
1 1 1 -8  33  5  o 25.23515 6.851062  195.8747       104.7058 142.1489       
171.1250 228.0251       132.3781 23.23619 9.917886 27.23410 9.454298 -3.997913 
13.70212 
1 1 1 -8  33  6  o 27.80576 7.187314  251.5379       109.0304 224.3661       
196.4226 263.6382       131.0783 26.17754 10.86909 29.43397 9.407058 -3.256426 
14.37463 
1 1 1 -8  33  7  o 35.85583 7.015961  413.4959       106.1921 369.3590       
215.8012 427.5983       121.9831 31.25277 11.88369 40.45890 7.461416 -9.206133 
14.03192 
1 1 1 -8  33  8  o 38.58556 6.961305  439.6160       108.4168 475.5699       
191.2521 422.5912       131.6056 37.67482 11.24465 39.49630 8.209558 -1.821480 
13.92261 
1 1 1 -8  33  9  o 35.27451 6.340006  300.8931       93.68220 583.9979       
169.7171 176.8326       112.3489 45.45258 9.215142 25.09644 8.709987 20.35615 
12.68001 
1 1 1 -8  33  10 o 29.01067 6.908600  251.5292       97.20235 269.9319       
164.9486 241.7388       120.3115 29.04729 10.50612 28.97405 8.974214 
0.7323456E-01  13.81720 
1 1 1 -8  33  11 o 38.03626 6.262471  430.2428       98.90823 318.3835       
169.7223 487.7686       121.7122 31.31810 10.71979 44.75442 6.477674 -13.43633 
12.52494 
1 1 1 -8  33  12 o 53.16624 4.618470  688.1688       102.9801 729.7595       
149.3413 650.4643       142.1931 54.73119 6.499294 51.60129 6.563553 3.129894 
9.236939 
1 1 1 -8  33  13 o 34.76462 6.177125  335.9308       90.24749 380.5635       
131.9832 296.7375       123.6795 37.14627 8.621776 32.38297 8.848304 4.763298 
12.35425 
1 1 1 -8  33  14 o 28.20033 6.801287  238.7023       97.85887 277.5042       
136.4777 197.6428       140.3920 30.44099 9.584292 25.95968 9.652530 4.481316 
13.60257 
1 1 1 -8  33  15 o 31.65979 6.674954  302.8317       97.50613 251.5838       
146.0062 344.0866       131.0001 28.53416 9.926784 34.78541 8.926310 -6.251244 
13.34991 
1 1 1 -8  33  16 o 38.13657 5.872300  405.8772       93.67270 303.0768       
137.3614 495.2440       128.0723 31.72000 9.542261 44.55314 6.846961 -12.83314 
11.74460 
1 1 1 -8  33  17 o 19.23379 5.949232  50.99986       91.09529 46.92846       
133.4735 54.54998       124.6364 19.27116 8.492469 19.19642 8.333751 
0.7473946E-01  11.89846 
1 1 1 -8  33  18 o 19.35141 5.881481  60.14494       87.88943 9.598060       
134.8430 97.47989       115.8882 18.07317 8.204048 20.62965 8.429760 -2.556479 
11.76296 
1 1 1 -8  33  19 o 19.52568 5.983485  48.36830       92.59937 126.7644       
136.9182 -17.71729      125.7092 22.24673 9.138656 16.80464 7.726148 5.442081 
11.96697 
1 1 1 -7  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -31 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -29 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -20 23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -19 21 o 39.76826 4.676166  364.6804       73.92447 396.7307       
121.4822 345.8332       93.15809 40.43853 7.433527 39.09800 5.675277 1.340530 
9.352331 
1 1 1 -7  -19 22 o 41.16765 4.959105  444.3148       70.02205 333.3133       
134.0152 485.9975       82.12349 35.35964 9.001755 46.97566 4.164047 -11.61602 
9.918209 
1 1 1 -7  -19 23 o 45.43687 5.332524  591.4381       75.05007 398.7049       
157.8491 647.7327       85.30936 36.68256 9.984161 54.19118 3.749635 -17.50862 
10.66505 
1 1 1 -7  -19 24 f 17.14821 4.976862  46.58396       62.87791 -152.8600      
143.1375 94.27319       69.99278 14.81023 7.208550 19.48620 6.863923 -4.675973 
9.953724 
1 1 1 -7  -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -18 18 o 43.00691 5.660184  403.6862       102.1993 403.6862       
102.1993 0.000000       0.000000 43.00691 5.660184 ?        ?        ? ? 
1 1 1 -7  -18 19 o 19.01276 5.107764  65.61015       53.30836 34.08633       
103.9893 76.84746       62.08698 18.96908 7.894287 19.05645 6.483614 
-0.8737183E-01 10.21553 
1 1 1 -7  -18 20 o 75.38035 3.305453  1291.053       93.16545 1115.584       
170.0883 1366.264       111.3562 70.86565 5.716888 79.89504 3.319828 -9.029388 
6.610905 
1 1 1 -7  -18 21 o 57.95141 3.590451  764.2026       73.94629 699.2649       
147.6171 785.9565       85.43903 55.42678 6.343632 60.47603 3.365070 -5.049248 
7.180903 
1 1 1 -7  -18 22 o 49.13612 4.471688  594.8186       69.95966 494.4958       
148.0758 623.6475       79.37757 44.57497 8.221101 53.69726 3.521006 -9.122284 
8.943377 
1 1 1 -7  -18 23 o 37.51120 5.217626  318.5328       67.77562 402.9925       
146.7134 295.6185       76.41846 38.79623 9.145949 36.22617 5.024547 2.570057 
10.43525 
1 1 1 -7  -18 24 o 41.67972 5.361803  430.2973       73.89185 472.4883       
162.2675 419.2596       82.99638 40.33297 9.689462 43.02646 4.594568 -2.693485 
10.72361 
1 1 1 -7  -17 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -17 17 o 23.69905 4.979542  130.8276       52.05581 78.88403       
100.4821 149.8828       60.85950 21.51624 8.130186 25.88186 5.751819 -4.365618 
9.959084 
1 1 1 -7  -17 18 o 66.67134 3.015477  929.1105       73.51496 994.6010       
147.7441 907.5602       84.75163 67.90762 5.182185 65.43507 3.085024 2.472542 
6.030954 
1 1 1 -7  -17 19 o 38.67210 3.904571  305.4285       55.05895 369.1149       
113.8757 285.9980       62.89977 40.81681 6.645276 36.52737 4.101584 4.289440 
7.809141 
1 1 1 -7  -17 20 o 75.43150 3.028491  1223.967       83.72524 1235.378       
165.0033 1220.010       97.16270 75.16461 5.228779 75.69839 3.057271 
-0.5337830     6.056983 
1 1 1 -7  -17 21 o 20.58541 5.494322  34.52237       59.83067 180.0093       
123.6262 -9.976367      68.37106 27.34366 9.148968 13.82716 6.086597 13.51650 
10.98864 
1 1 1 -7  -17 22 o 21.75822 5.611303  105.6698       66.45452 9.386669       
140.2911 133.5240       75.45721 19.82408 8.722600 23.69235 7.061384 -3.868265 
11.22261 
1 1 1 -7  -17 23 o 40.54612 4.939547  356.4547       73.27428 476.2040       
146.2097 316.2908       84.67538 43.60936 8.285148 37.48288 5.380782 6.126480 
9.879093 
1 1 1 -7  -17 24 o 51.94746 4.501871  586.7792       83.47809 734.7767       
177.5497 544.7788       94.58445 54.46210 7.765094 49.43282 4.557487 5.029274 
9.003742 
1 1 1 -7  -17 25 o 57.78271 4.496352  747.3728       95.56546 956.6294       
194.9371 681.1711       109.6451 60.97952 7.614329 54.58590 4.784426 6.393620 
8.992704 
1 1 1 -7  -16 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -16 14 o 108.4823 2.471377  2481.836       112.3789 2480.958       
163.5836 2482.620       154.6481 108.4500 3.592784 108.5146 3.394513 
-0.6455231E-01 4.942754 
1 1 1 -7  -16 15 o 77.07852 2.039464  1264.658       65.32199 1121.106       
95.66422 1390.055       89.41099 72.91297 3.125113 81.24406 2.621321 -8.331093 
4.078928 
1 1 1 -7  -16 16 o 40.37451 2.769036  341.5667       45.69524 360.5870       
74.45615 330.0738       57.87698 41.23107 4.301273 39.51796 3.488449 1.713108 
5.538071 
1 1 1 -7  -16 17 o 12.60015 3.841316  -14.34917      35.56854 23.35006       
61.88796 -32.94337      43.46390 15.34292 6.200125 9.857390 4.536659 5.485529 
7.682631 
1 1 1 -7  -16 18 o 29.26584 4.885568  209.1156       53.67733 141.0343       
111.8471 229.4883       61.18372 25.73652 8.702206 32.79515 4.443727 -7.058628 
9.771135 
1 1 1 -7  -16 19 o 36.57175 4.707825  327.8108       59.84251 241.7734       
116.4841 358.6607       69.75089 32.15848 8.498379 40.98503 4.053643 -8.826550 
9.415650 
1 1 1 -7  -16 20 o 88.05990 3.248530  1638.858       106.0893 1743.986       
208.0946 1601.939       123.3187 89.39951 5.544300 86.72029 3.387111 2.679214 
6.497060 
1 1 1 -7  -16 21 f 42.31400 4.763484  439.3781       68.90436 343.2868       
133.2628 474.4420       80.50030 37.69453 8.606539 46.93348 4.085412 -9.238949 
9.526967 
1 1 1 -7  -16 22 o 51.61406 4.230428  625.1745       79.28970 531.3030       
149.6818 661.7897       93.48309 47.90589 7.442198 55.32224 4.024893 -7.416344 
8.460855 
1 1 1 -7  -16 23 o 23.33171 6.173608  91.23589       72.93515 202.2101       
147.2727 55.17347       83.95346 28.26082 9.956325 18.40260 7.302421 9.858213 
12.34722 
1 1 1 -7  -16 24 o 50.98837 4.585021  578.1625       86.44895 664.1550       
171.5614 548.8974       100.0839 52.29122 7.814690 49.68551 4.797948 2.605709 
9.170042 
1 1 1 -7  -16 25 o 35.04640 6.386606  298.7988       88.96192 454.4353       
164.1852 234.1150       105.8463 40.27120 9.791908 29.82159 8.202042 10.44961 
12.77321 
1 1 1 -7  -16 26 f 53.71431 4.967525  666.3390       112.0235 0.000000       
0.000000 666.3390       112.0235 ?        ?        53.71431 4.967525 ? ? 
1 1 1 -7  -15 1  o 160.0611 1.686755  5418.446       107.8407 5506.908       
133.9216 5255.286       181.8769 161.9437 1.969735 158.1784 2.738743 3.765259 
3.373510 
1 1 1 -7  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -15 13 o 76.25307 2.136474  1214.640       63.73215 1248.392       
113.6512 1199.157       76.97383 76.98623 3.516268 75.51991 2.427743 1.466324 
4.272947 
1 1 1 -7  -15 14 o 55.77927 2.287059  662.6078       52.67884 608.4781       
80.21702 703.6530       69.85208 53.73507 3.555738 57.82347 2.877373 -4.088409 
4.574118 
1 1 1 -7  -15 15 o 90.83304 1.916707  1745.554       70.77388 1701.077       
114.7691 1772.845       89.90272 89.86187 3.042081 91.80420 2.332552 -1.942329 
3.833413 
1 1 1 -7  -15 16 f 79.75165 2.135171  1372.172       68.60119 1220.225       
110.6108 1467.155       87.45232 76.02541 3.465452 83.47788 2.495290 -7.452477 
4.270343 
1 1 1 -7  -15 17 o 40.06529 3.189303  323.1405       49.22631 385.9125       
93.12610 298.7998       57.99026 42.54726 5.213398 37.58332 3.675200 4.963932 
6.378606 
1 1 1 -7  -15 18 o 56.04629 2.963145  697.0683       60.05134 607.6033       
116.4024 729.5147       70.10002 53.30488 5.201350 58.78770 2.840225 -5.482826 
5.926291 
1 1 1 -7  -15 19 o 118.3411 2.931530  3013.565       143.9443 2721.402       
213.7281 3256.099       194.7313 112.8804 4.509872 123.8018 3.746536 -10.92144 
5.863061 
1 1 1 -7  -15 20 o 45.33234 3.963566  422.0613       71.46206 522.0941       
127.5843 376.3311       86.26371 48.86403 6.219121 41.80065 4.915483 7.063381 
7.927133 
1 1 1 -7  -15 21 o 36.54600 5.217808  285.9569       73.03219 385.1973       
132.1461 242.3157       87.63107 40.57190 8.043988 32.52010 6.648034 8.051804 
10.43562 
1 1 1 -7  -15 22 o 59.68973 3.904332  789.4487       84.91838 773.2037       
166.8342 795.1291       98.65427 58.56026 6.785835 60.81920 3.863636 -2.258945 
7.808664 
1 1 1 -7  -15 23 o 64.33271 3.943774  957.8295       96.00023 822.9034       
170.9038 1020.028       116.0366 60.01728 6.782605 68.64814 4.026126 -8.630856 
7.887549 
1 1 1 -7  -15 24 o 34.91074 6.110976  278.1053       81.29558 392.4725       
158.6026 237.3495       94.67913 38.57973 9.775653 31.24175 7.335717 7.337980 
12.22195 
1 1 1 -7  -15 25 o 31.29156 7.343250  242.4138       94.91588 0.000000       
0.000000 242.4138       94.91588 ?        ?        31.29156 7.343250 ? ? 
1 1 1 -7  -15 26 o 21.69365 5.762624  106.0688       84.03076 -143.2531      
176.5927 179.0467       95.54061 17.29222 8.315741 26.09509 7.979963 -8.802874 
11.52525 
1 1 1 -7  -15 27 o 21.41607 6.351189  105.4316       90.30315 72.90229       
185.8098 115.4908       103.3264 21.53390 9.712328 21.29824 8.186641 0.2356644 
12.70238 
1 1 1 -7  -14 1  o 184.6784 1.760986  7160.631       136.4934 7420.668       
194.6134 6908.885       191.4862 187.9781 2.465962 181.3787 2.514620 6.599442 
3.521971 
1 1 1 -7  -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -14 11 o 118.3458 1.696907  2944.275       84.30525 2996.739       
119.6153 2892.488       118.8398 119.3943 2.386294 117.2973 2.413209 2.097069 
3.393814 
1 1 1 -7  -14 12 o 211.6988 2.845796  9363.441       248.0842 9027.974       
318.4635 9881.246       395.6564 207.0001 3.664462 216.3975 4.354990 -9.397385 
5.691591 
1 1 1 -7  -14 13 o 116.4855 1.911349  2843.521       92.14465 2793.664       
120.0854 2914.907       143.6936 115.2663 2.481470 117.7046 2.907804 -2.438301 
3.822698 
1 1 1 -7  -14 14 o 115.5721 1.860319  2812.914       90.10952 2886.136       
124.8529 2733.306       130.1823 117.1516 2.538467 113.9926 2.720171 3.158951 
3.720638 
1 1 1 -7  -14 15 o 50.98109 2.084611  543.4378       44.41151 583.7586       
66.83482 511.5565       59.42998 52.65971 3.023050 49.30247 2.871164 3.357239 
4.169222 
1 1 1 -7  -14 16 o 56.54044 2.085331  672.1833       49.29628 685.5602       
73.43723 661.2119       66.50768 57.04388 3.066396 56.03700 2.826949 1.006882 
4.170663 
1 1 1 -7  -14 17 o 100.3718 2.663819  2142.490       95.75043 2104.118       
194.6782 2154.734       109.9713 99.59387 4.655923 101.1498 2.589615 -1.555954 
5.327638 
1 1 1 -7  -14 18 o 68.12965 2.454701  998.4479       68.58096 887.0713       
105.4843 1079.998       90.26147 64.72082 3.882085 71.53850 3.005271 -6.817680 
4.909403 
1 1 1 -7  -14 19 o 75.81330 2.451451  1252.663       70.98815 1127.954       
127.4320 1308.777       85.47974 72.85368 4.166276 78.77292 2.584683 -5.919235 
4.902902 
1 1 1 -7  -14 20 o 67.80663 2.500484  1005.267       67.55263 873.8036       
110.7143 1083.236       85.26316 64.03500 4.118199 71.57825 2.837275 -7.543251 
5.000969 
1 1 1 -7  -14 21 o 89.46145 3.586034  1735.027       122.1181 1712.056       
225.3642 1744.576       145.2987 88.50019 6.065432 90.42271 3.827411 -1.922516 
7.172067 
1 1 1 -7  -14 22 o 64.59171 3.688703  892.7898       95.39835 962.3887       
163.6990 856.9970       117.3932 66.13992 5.895268 63.04351 4.435307 3.096409 
7.377407 
1 1 1 -7  -14 23 o 30.52064 6.031065  244.4275       77.25002 146.0817       
164.0225 272.4601       87.57035 26.58321 10.29450 34.45807 6.286355 -7.874851 
12.06213 
1 1 1 -7  -14 24 o 36.96520 8.848512  342.2829       135.7009 0.000000       
0.000000 342.2829       135.7009 ?        ?        36.96520 8.848512 ? ? 
1 1 1 -7  -14 25 o 17.37414 5.774986  -98.37705      79.21569 56.26062       
183.1974 -133.9398      87.85355 23.09540 10.06577 11.65289 5.664109 11.44251 
11.54997 
1 1 1 -7  -14 26 o 21.01923 6.369631  19.75287       85.68150 179.0641       
180.0792 -26.86669      97.41470 26.65536 10.65675 15.38310 6.980149 11.27226 
12.73926 
1 1 1 -7  -14 27 o 31.46467 6.850438  286.8492       92.34451 297.4260       
194.4726 283.7700       104.9287 30.01474 11.31966 32.91461 7.718756 -2.899876 
13.70088 
1 1 1 -7  -14 28 o 17.39939 5.715703  -10.17307      92.23142 -157.9314      
206.4263 26.68134       103.0941 17.71790 8.630009 17.08089 7.496666 0.6370106 
11.43141 
1 1 1 -7  -13 1  o 195.3915 4.213165  8023.064       345.6154 0.000000       
0.000000 8023.064       345.6154 ?        ?        195.3915 4.213165 ? ? 
1 1 1 -7  -13 2  o 252.2045 3.165893  13360.72       334.2350 13483.81       
492.9376 13255.98       454.7303 253.2672 4.635901 251.1419 4.312765 2.125275 
6.331786 
1 1 1 -7  -13 3  f 341.8187 3.132369  24701.32       399.2974 24251.79       
764.2200 24870.12       468.3042 339.5596 5.360724 344.0778 3.241847 -4.518188 
6.264738 
1 1 1 -7  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 9  o 161.2883 2.399714  5524.525       153.5774 5302.564       
261.8328 5640.939       189.6216 158.7455 3.928653 163.8311 2.756846 -5.085648 
4.799428 
1 1 1 -7  -13 10 o 124.3794 2.769759  3186.781       115.1565 3373.255       
262.6005 3142.384       128.1339 126.4789 4.945366 122.2798 2.495919 4.199165 
5.539518 
1 1 1 -7  -13 11 o 47.30596 1.908929  471.4888       37.75193 419.1584       
53.13211 524.8448       53.65024 44.64564 2.834648 49.96629 2.557500 -5.320652 
3.817858 
1 1 1 -7  -13 12 o 109.2204 1.721918  2441.421       74.91066 2308.754       
91.26076 2715.437       131.1563 104.8154 2.073862 113.6254 2.749382 -8.809929 
3.443836 
1 1 1 -7  -13 13 o 69.73848 1.652064  1022.066       48.33611 1076.767       
69.06587 969.5519       67.67065 71.56835 2.298601 67.90860 2.373541 3.659752 
3.304128 
1 1 1 -7  -13 14 o 37.53553 2.358891  298.8606       36.11863 213.0504       
49.81644 393.9604       52.44369 31.79828 3.731558 43.27279 2.886686 -11.47450 
4.717783 
1 1 1 -7  -13 15 o 136.6300 2.377407  3940.632       130.0133 3898.840       
219.3859 3963.254       161.4111 136.0048 3.842160 137.2551 2.801082 -1.250320 
4.754814 
1 1 1 -7  -13 16 f 76.33661 1.960866  1230.610       62.28576 1191.085       
93.73801 1261.856       83.34572 75.22168 2.968204 77.45153 2.563152 -2.229851 
3.921732 
1 1 1 -7  -13 17 o 154.9529 2.284125  5069.335       148.3529 4835.916       
212.4036 5291.661       207.2950 151.4422 3.340689 158.4635 3.115879 -7.021271 
4.568250 
1 1 1 -7  -13 18 o 65.81973 2.095459  915.4252       57.74421 841.1094       
81.94585 988.7225       81.38236 63.14781 3.090935 68.49164 2.830178 -5.343830 
4.190917 
1 1 1 -7  -13 19 o 73.49911 2.063573  1128.297       63.27520 1242.982       
96.32652 1041.250       83.92016 76.74164 2.989757 70.25659 2.845118 6.485046 
4.127147 
1 1 1 -7  -13 20 o 11.21768 3.622967  -46.54227      39.01900 -81.13485      
53.28479 -6.545954      57.29565 9.389266 4.528087 13.04610 5.656852 -3.656832 
7.245933 
1 1 1 -7  -13 21 o 99.02428 2.134502  2059.013       87.73028 1969.617       
114.6541 2185.283       136.2644 96.50333 2.829882 101.5452 3.196272 -5.041908 
4.269003 
1 1 1 -7  -13 22 o 56.83428 4.479949  699.5071       89.26943 729.7290       
188.4044 690.7579       101.3708 56.90782 7.885699 56.76074 4.253886 0.1470795 
8.959899 
1 1 1 -7  -13 23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -13 24 o 19.41940 6.141460  -49.99234      81.81795 105.6065       
184.6922 -87.98356      91.26135 25.56835 10.57309 13.27045 6.251386 12.29790 
12.28292 
1 1 1 -7  -13 25 o 21.57509 6.407937  62.81812       89.48988 48.67418       
177.0246 67.67344       103.7187 22.92953 9.942844 20.22065 8.086189 2.708878 
12.81587 
1 1 1 -7  -13 26 o 47.56715 5.914375  497.3054       95.15543 691.4793       
212.8293 448.7934       106.3801 50.64294 10.36747 44.49134 5.695159 6.151600 
11.82875 
1 1 1 -7  -13 27 o 28.81287 7.138174  184.2423       91.20905 365.7970       
199.1621 136.0591       102.6007 34.19333 11.61235 23.43241 8.304660 10.76093 
14.27635 
1 1 1 -7  -13 28 o 28.44722 7.236478  214.3686       92.88321 356.8542       
211.3957 180.2800       103.3988 31.37845 11.80924 25.51599 8.367093 5.862461 
14.47296 
1 1 1 -7  -12 1  o 203.8933 1.412538  8722.505       116.3017 8751.930       
193.1387 8705.765       145.6739 204.1564 2.253343 203.6302 1.703965 0.5262146 
2.825076 
1 1 1 -7  -12 2  o 358.2465 4.459561  26953.46       613.6808 27135.92       
1125.314 26876.23       732.1294 358.9347 7.467569 357.5584 4.877103 1.376251 
8.919122 
1 1 1 -7  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -12 4  o 135.8428 2.026761  3872.232       106.3935 3884.923       
192.9299 3866.685       127.5395 135.9880 3.379247 135.6976 2.238688 0.2904663 
4.053522 
1 1 1 -7  -12 5  o 248.4867 3.147885  12965.07       290.3292 13012.68       
562.9529 12947.82       338.8712 248.7135 5.391303 248.2599 3.251240 0.4535828 
6.295770 
1 1 1 -7  -12 6  o 328.5547 2.742031  22796.50       352.9041 22384.78       
620.7720 22993.10       428.9644 326.2790 4.531731 330.8306 3.088423 -4.551605 
5.484063 
1 1 1 -7  -12 7  o 113.5679 1.821886  2731.526       86.14710 2415.066       
124.7484 3020.015       119.1080 107.2225 2.771215 119.9134 2.365890 -12.69090 
3.643771 
1 1 1 -7  -12 8  o 271.0990 3.130349  15484.01       349.8806 15334.14       
547.9403 15587.19       454.6323 269.9346 4.834992 272.2634 3.977334 -2.328827 
6.260697 
1 1 1 -7  -12 9  o 45.30603 2.108139  432.7881       39.47900 423.0947       
61.10660 439.7329       51.72281 44.86443 3.244196 45.74764 2.692988 
-0.8832130     4.216277 
1 1 1 -7  -12 10 o 115.8345 2.030447  2812.578       98.37968 2736.837       
132.7814 2904.760       146.4857 114.1153 2.771497 117.5538 2.968108 -3.438568 
4.060894 
1 1 1 -7  -12 11 o 230.8683 2.603346  10941.68       208.7203 10734.79       
235.1447 11710.11       453.1812 226.0084 2.478173 235.7281 4.579116 -9.719635 
5.206692 
1 1 1 -7  -12 12 o 113.1782 1.717251  2689.741       81.55153 2574.017       
113.4366 2813.533       117.3242 110.6604 2.441643 115.6961 2.415404 -5.035698 
3.434501 
1 1 1 -7  -12 13 o 85.81561 1.649637  1547.199       59.28116 1560.060       
87.17896 1536.138       80.85068 86.14304 2.410530 85.48817 2.252676 0.6548767 
3.299273 
1 1 1 -7  -12 14 o 95.89857 1.994013  1961.477       77.24992 1832.289       
125.6843 2039.912       97.93198 93.29488 3.208812 98.50226 2.368097 -5.207382 
3.988027 
1 1 1 -7  -12 15 o 112.4737 2.000765  2648.963       94.17439 2810.656       
140.1769 2515.945       127.1408 115.5825 2.888721 109.3649 2.769030 6.217514 
4.001530 
1 1 1 -7  -12 16 o 172.5473 2.465473  6256.377       175.0623 6197.456       
225.6933 6345.370       277.3724 171.5865 3.132973 173.5080 3.807717 -1.921539 
4.930946 
1 1 1 -7  -12 17 o 92.61911 1.900235  1804.056       73.84921 1777.847       
102.4554 1832.396       106.5415 91.92200 2.654828 93.31622 2.719460 -1.394218 
3.800471 
1 1 1 -7  -12 18 f 54.50421 2.169137  626.2164       49.61034 631.1058       
69.21487 621.0507       71.14411 54.72688 3.012450 54.28155 3.121820 0.4453316 
4.338273 
1 1 1 -7  -12 19 o 49.94876 2.424441  528.1147       50.61660 513.4962       
74.58762 540.5938       68.91393 49.29048 3.604331 50.60703 3.243525 -1.316551 
4.848882 
1 1 1 -7  -12 20 o 102.1760 2.003082  2194.807       85.72180 2094.231       
116.4311 2313.857       126.6734 99.63793 2.783334 104.7140 2.881389 -5.076057 
4.006164 
1 1 1 -7  -12 21 o 122.3947 2.596533  3157.590       132.6723 2998.055       
176.7954 3363.242       200.7291 118.9235 3.540987 125.8659 3.798598 -6.942345 
5.193066 
1 1 1 -7  -12 22 o 58.46009 6.427400  746.9203       157.7516 746.9203       
157.7516 0.000000       0.000000 58.46009 6.427400 ?        ?        ? ? 
1 1 1 -7  -12 23 o 55.10778 2.920481  660.6910       65.62576 697.4318       
84.85346 606.0030       103.5242 57.19659 3.533625 53.01897 4.650843 4.177612 
5.840963 
1 1 1 -7  -12 24 o 35.11042 4.947278  285.9675       72.11687 448.0983       
105.7137 144.8324       98.63155 45.13570 5.578688 25.08514 8.171933 20.05056 
9.894557 
1 1 1 -7  -12 25 o 59.60314 3.417461  779.5643       84.78130 906.9599       
121.3574 658.1143       118.4917 64.54514 4.478409 54.66114 5.163334 9.884003 
6.834923 
1 1 1 -7  -12 26 o 27.78200 7.118294  162.2650       91.84469 276.6507       
198.7489 131.2052       103.5663 31.82224 11.53018 23.74175 8.350765 8.080492 
14.23659 
1 1 1 -7  -12 27 o 17.24428 5.821882  -86.85476      84.39580 -17.61921      
202.7130 -101.3717      92.82291 21.65557 9.895414 12.83300 6.136611 8.822571 
11.64376 
1 1 1 -7  -12 28 o 64.13172 5.254574  949.3141       117.8316 1145.023       
253.3490 895.2943       133.1039 65.47319 9.216729 62.79025 5.049168 2.682941 
10.50915 
1 1 1 -7  -12 29 o 47.94712 6.434505  635.5208       108.7999 674.0811       
216.7120 622.5264       125.8036 44.98343 11.44417 50.91082 5.885780 -5.927383 
12.86901 
1 1 1 -7  -11 1  o 126.6501 1.786369  3368.232       94.98009 3320.170       
133.9462 3416.838       134.7013 125.7412 2.537312 127.5589 2.515254 -1.817764 
3.572738 
1 1 1 -7  -11 2  o 159.2470 1.751935  5328.806       109.6163 5315.356       
192.5047 5335.259       133.3458 159.0883 2.882200 159.4057 1.992491 
-0.3173676     3.503870 
1 1 1 -7  -11 3  o 168.7678 2.484028  5635.454       71.71106 6375.517       
354.7572 5603.925       73.22263 174.1526 4.852017 163.3831 1.067479 10.76956 
4.968056 
1 1 1 -7  -11 4  o 128.9070 2.414791  3489.466       130.6878 0.000000       
0.000000 3489.466       130.6878 ?        ?        128.9070 2.414791 ? ? 
1 1 1 -7  -11 5  o 67.45968 2.929250  955.8334       82.96207 955.8334       
82.96207 0.000000       0.000000 67.45968 2.929250 ?        ?        ? ? 
1 1 1 -7  -11 6  o 413.8190 7.618486  35301.75       745.0870 37407.10       
2558.554 35106.66       778.8436 418.9881 14.54500 408.6500 4.539624 10.33817 
15.23697 
1 1 1 -7  -11 7  o 146.5990 2.752975  4441.171       146.3685 4667.511       
297.3646 4368.800       168.1485 148.9791 4.754282 144.2190 2.777101 4.760101 
5.505950 
1 1 1 -7  -11 8  o 331.6987 5.951825  23454.32       684.8503 22872.72       
1454.156 23620.09       776.3384 328.4234 10.54625 334.9741 5.520279 -6.550659 
11.90365 
1 1 1 -7  -11 9  o 160.1107 2.291939  5387.581       154.0571 5366.133       
218.6722 5408.718       217.0758 159.7932 3.259539 160.4281 3.222939 
-0.6348419     4.583878 
1 1 1 -7  -11 10 o 175.4515 2.192821  6465.070       158.5129 6444.761       
205.1563 6495.152       249.6900 175.1305 2.790256 175.7725 3.383539 
-0.6420135     4.385643 
1 1 1 -7  -11 11 o 23.53070 3.000352  118.6029       28.65668 89.72594       
39.30497 151.3717       41.86986 20.23694 4.710208 26.82446 3.717848 -6.587517 
6.000705 
1 1 1 -7  -11 12 o 103.2304 1.765096  2234.598       76.40637 2098.427       
105.3962 2385.431       110.9255 99.92240 2.512368 106.5384 2.479971 -6.615952 
3.530191 
1 1 1 -7  -11 13 o 74.49976 1.935490  1169.761       59.60725 1151.433       
92.40045 1182.825       78.00967 73.98727 2.974666 75.01225 2.477065 -1.024979 
3.870980 
1 1 1 -7  -11 14 o 177.0574 2.774620  6621.442       205.2624 6452.902       
303.3794 6763.729       278.7516 174.9364 4.130731 179.1783 3.705552 -4.241882 
5.549239 
1 1 1 -7  -11 15 o 223.8918 2.946016  10577.10       275.2266 10611.94       
369.7316 10533.80       412.1770 224.3652 3.925112 223.4184 4.394262 0.9468689 
5.892032 
1 1 1 -7  -11 16 o 59.30437 2.044991  741.2890       50.78709 681.6276       
71.91396 800.6522       71.73398 56.91397 3.009645 61.69478 2.769476 -4.780807 
4.089983 
1 1 1 -7  -11 17 o 55.62672 2.226525  648.5317       51.85037 585.3834       
70.94005 720.9590       75.97344 52.72954 3.204487 58.52390 3.092072 -5.794357 
4.453049 
1 1 1 -7  -11 18 o 174.5559 2.463023  6410.530       160.9316 6395.235       
188.7547 6451.244       307.9617 174.3415 2.578802 174.7703 4.197108 
-0.4287720     4.926046 
1 1 1 -7  -11 19 o 36.16987 2.881714  275.9039       43.62840 247.2765       
60.15011 307.6843       63.37593 34.18783 4.190694 38.15191 3.956664 -3.964077 
5.763428 
1 1 1 -7  -11 20 o 48.11668 2.540984  484.4711       51.00098 447.2732       
67.60542 533.6006       77.69513 46.00389 3.500322 50.22946 3.684311 -4.225571 
5.081969 
1 1 1 -7  -11 21 o 19.15753 5.146872  41.77545       55.41351 11.11217       
67.23244 106.7313       97.85406 15.13209 6.325683 23.18297 8.120770 -8.050883 
10.29374 
1 1 1 -7  -11 22 o 152.1576 3.810680  4977.263       243.1842 4944.364       
335.9881 5013.459       352.4296 151.7056 5.275253 152.6096 5.500620 
-0.9039612     7.621359 
1 1 1 -7  -11 23 o 27.87521 4.605460  172.4371       52.15548 152.6697       
66.95760 202.9349       83.16837 25.93638 6.219997 29.81403 6.793576 -3.877649 
9.210919 
1 1 1 -7  -11 24 o 40.43347 3.650146  371.1534       57.59420 474.6234       
79.80346 258.6778       83.20392 47.04066 4.040819 33.82628 6.079971 13.21438 
7.300292 
1 1 1 -7  -11 25 o 102.0477 3.394623  2235.989       142.5190 2429.421       
228.9312 2113.583       182.1125 105.2967 5.178590 98.79879 4.390452 6.497864 
6.789247 
1 1 1 -7  -11 26 o 66.28959 3.386577  963.0710       92.95138 969.3955       
143.8330 958.5355       121.8028 66.23892 5.172094 66.34026 4.373219 
-0.1013336     6.773153 
1 1 1 -7  -11 27 o 70.64621 3.430359  1104.682       101.6886 1117.078       
146.5381 1093.168       141.2278 70.97784 4.917552 70.31458 4.784050 0.6632690 
6.860718 
1 1 1 -7  -11 28 o 37.08666 5.430691  343.5788       81.80791 384.4234       
117.1148 304.6581       114.3234 39.56261 7.326332 34.61071 8.018384 4.951908 
10.86138 
1 1 1 -7  -11 29 o 37.53866 7.145321  405.4302       99.59814 447.9718       
246.0434 397.0931       108.9212 34.44967 12.78455 40.62766 6.385746 -6.177994 
14.29064 
1 1 1 -7  -11 30 o 29.12158 7.366381  271.5197       106.0171 311.1306       
225.1740 260.2381       120.1697 28.55207 11.72262 29.69109 8.923810 -1.139025 
14.73276 
1 1 1 -7  -10 1  o 273.8941 2.386098  15785.03       265.5363 15646.77       
433.1590 15868.27       336.0941 272.9100 3.780497 274.8783 2.912336 -1.968262 
4.772197 
1 1 1 -7  -10 2  o 53.56575 2.054807  602.1257       46.16553 592.5361       
63.69455 612.7388       67.00719 53.11721 2.856197 54.01429 2.954839 
-0.8970795     4.109615 
1 1 1 -7  -10 3  o 275.3627 2.141624  15591.37       200.6675 16498.19       
447.0093 15362.50       224.5667 280.2310 3.799456 270.4945 1.977461 9.736481 
4.283249 
1 1 1 -7  -10 4  o 181.4055 1.877899  6912.987       110.0217 6907.413       
258.8582 6914.217       121.5467 181.3369 3.400140 181.4741 1.595326 
-0.1371765     3.755798 
1 1 1 -7  -10 5  o 604.3748 5.696663  76771.31       1426.755 75698.20       
1867.142 78277.23       2211.844 599.4954 7.418442 609.2543 8.647231 -9.758911 
11.39333 
1 1 1 -7  -10 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -10 7  o 149.2986 2.583334  4715.854       155.1238 4569.017       
257.6202 4799.376       194.2958 147.4417 4.161793 151.1554 3.061687 -3.713684 
5.166667 
1 1 1 -7  -10 8  o 149.1675 2.225611  4674.226       139.3093 4685.079       
200.3545 4664.067       193.8334 149.3333 3.195680 149.0017 3.098550 0.3316040 
4.451223 
1 1 1 -7  -10 9  o 292.8798 4.092797  18044.03       481.0489 18000.90       
597.8397 18123.22       810.1796 292.5157 4.868067 293.2439 6.580720 
-0.7281189     8.185595 
1 1 1 -7  -10 10 o 158.3347 2.256907  5260.980       138.3800 5249.167       
166.1283 5287.751       250.0916 158.0785 2.503178 158.5908 3.756143 
-0.5123596     4.513813 
1 1 1 -7  -10 11 o 95.33437 1.615470  1890.370       64.07066 1779.175       
84.14710 2043.767       98.83364 92.03426 2.177763 98.63447 2.386696 -6.600204 
3.230940 
1 1 1 -7  -10 12 o 163.2830 2.137525  5613.006       133.9809 5625.029       
159.9569 5584.740       245.2628 163.6249 2.328491 162.9411 3.585273 0.6838684 
4.275050 
1 1 1 -7  -10 13 o 245.2275 3.270154  12718.08       326.9412 12500.10       
527.4189 12854.11       416.6504 243.3898 5.161480 247.0652 4.016810 -3.675339 
6.540309 
1 1 1 -7  -10 14 o 183.4072 2.287808  7125.435       169.8333 6899.237       
277.8667 7260.326       214.5787 181.0057 3.656498 185.8088 2.750689 -4.803146 
4.575617 
1 1 1 -7  -10 15 o 116.4630 1.970104  2862.484       96.01330 2669.563       
138.1238 3042.862       133.5579 112.6416 2.920726 120.2844 2.644731 -7.642784 
3.940208 
1 1 1 -7  -10 16 o 102.5261 1.955641  2208.713       83.91416 2181.311       
113.9124 2241.227       124.0840 101.8393 2.664263 103.2130 2.863536 -1.373734 
3.911283 
1 1 1 -7  -10 17 o 42.68072 2.613796  387.0669       45.01361 534.3456       
65.86764 258.0106       61.65836 50.38659 3.113710 34.97484 4.199110 15.41175 
5.227592 
1 1 1 -7  -10 18 o 64.90549 2.098341  887.1293       57.03713 968.9169       
81.34292 808.0213       79.99924 67.85633 2.855291 61.95465 3.075622 5.901676 
4.196682 
1 1 1 -7  -10 19 o 39.02331 2.895529  320.4525       47.33569 340.5492       
69.80883 303.3476       64.40302 40.14876 4.141515 37.89786 4.047740 2.250904 
5.791058 
1 1 1 -7  -10 20 o 67.49915 2.502778  961.8415       70.65195 958.5939       
95.73704 965.7255       104.6969 67.39141 3.383736 67.60690 3.688621 
-0.2154846     5.005557 
1 1 1 -7  -10 21 o 57.76617 6.933130  720.1987       168.1442 0.000000       
0.000000 720.1987       168.1442 ?        ?        57.76617 6.933130 ? ? 
1 1 1 -7  -10 22 o 98.04029 2.616853  2021.373       106.8727 2163.350       
163.6221 1915.732       141.1395 100.9768 3.859591 95.10374 3.534859 5.873108 
5.233706 
1 1 1 -7  -10 23 o 108.1771 2.837780  2479.942       128.0174 2388.439       
170.1451 2599.328       194.3472 105.9612 3.824667 110.3931 4.193316 -4.431862 
5.675560 
1 1 1 -7  -10 24 o 39.03612 3.349880  325.2946       54.63789 298.1169       
73.06104 359.7812       82.30084 37.21540 4.676105 40.85684 4.798004 -3.641438 
6.699760 
1 1 1 -7  -10 25 o 106.2100 2.623328  2414.252       116.6356 2422.977       
171.7058 2406.778       158.9293 106.3105 3.847070 106.1095 3.567556 0.2009888 
5.246656 
1 1 1 -7  -10 26 o 30.74585 5.559627  238.7333       74.88006 148.4485       
116.9164 301.5220       97.50096 25.43864 8.879844 36.05306 6.692246 -10.61443 
11.11925 
1 1 1 -7  -10 27 f 38.03987 5.176703  353.9949       79.08903 272.4287       
119.3983 417.7633       105.5712 32.97754 8.553207 43.10220 5.834010 -10.12465 
10.35341 
1 1 1 -7  -10 28 o 60.65804 3.845415  844.2010       95.61756 723.5414       
143.9958 939.3658       127.8813 56.16618 6.106550 65.14989 4.675352 -8.983715 
7.690830 
1 1 1 -7  -10 29 o 31.86812 5.491857  272.9288       77.33179 169.6200       
121.5665 343.1485       100.2247 25.48140 9.038798 38.25484 6.240359 -12.77344 
10.98371 
1 1 1 -7  -10 30 o 29.88224 6.099196  248.2325       86.60769 369.3567       
127.3533 144.0178       118.1297 36.60624 8.451423 23.15823 8.796263 13.44801 
12.19839 
1 1 1 -7  -9  1  o 183.9180 2.223500  7106.355       170.5967 7086.656       
255.9230 7122.109       228.8595 183.6831 3.318648 184.1530 2.960133 
-0.4699249     4.447001 
1 1 1 -7  -9  2  o 461.7767 3.813610  44910.91       725.2329 44424.43       
1139.453 45242.18       940.2764 459.5992 5.905248 463.9542 4.827269 -4.354950 
7.627220 
1 1 1 -7  -9  3  o 229.4744 2.473844  11189.95       172.0205 10876.14       
435.2294 11248.04       187.2683 227.4920 4.556940 231.4567 1.927150 -3.964767 
4.947687 
1 1 1 -7  -9  4  o 146.3674 2.037612  4449.697       94.61589 4575.207       
229.3489 4423.956       103.8663 147.5753 3.701724 145.1595 1.704317 2.415817 
4.075225 
1 1 1 -7  -9  5  o 210.1333 2.074069  8954.179       144.2810 9798.826       
336.0704 8763.320       159.7524 215.9677 3.706486 204.2989 1.862527 11.66884 
4.148138 
1 1 1 -7  -9  6  o 331.1609 4.531474  22329.92       345.6376 23990.36       
1227.713 22186.99       360.2071 337.2853 8.670032 325.0365 2.639618 12.24875 
9.062948 
1 1 1 -7  -9  7  o 169.1352 3.265029  6009.214       231.8462 0.000000       
0.000000 6009.214       231.8462 ?        ?        169.1352 3.265029 ? ? 
1 1 1 -7  -9  8  o 152.0987 3.322556  4860.052       212.1665 4860.052       
212.1665 0.000000       0.000000 152.0987 3.322556 ?        ?        ? ? 
1 1 1 -7  -9  9  o 170.4911 2.308440  5934.974       126.7998 5842.140       
139.4574 6377.860       304.6020 166.7983 1.991457 174.1839 4.165296 -7.385544 
4.616881 
1 1 1 -7  -9  10 o 202.8806 2.298724  8645.640       195.6991 9038.591       
279.5189 8267.828       274.0819 207.4031 3.210088 198.3581 3.291179 9.045044 
4.597448 
1 1 1 -7  -9  11 o 204.9433 2.990905  8823.408       211.3170 8854.133       
456.3128 8815.020       238.4240 205.0533 5.300501 204.8332 2.772494 0.2200623 
5.981809 
1 1 1 -7  -9  12 o 125.5052 1.957408  3305.150       101.1814 3285.313       
130.7704 3334.741       159.7152 125.0491 2.490864 125.9613 3.020162 
-0.9121933     3.914815 
1 1 1 -7  -9  13 o 207.8103 2.358393  9012.511       186.3185 8919.436       
220.2498 9246.721       349.3852 206.0191 2.546414 209.6015 3.970372 -3.582382 
4.716787 
1 1 1 -7  -9  14 o 163.2756 2.054243  5616.996       136.6467 5559.457       
221.2852 5652.460       173.7270 162.5637 3.242276 163.9874 2.523351 -1.423752 
4.108486 
1 1 1 -7  -9  15 o 154.5836 2.328843  4967.890       143.9445 4833.282       
177.0973 5229.937       247.0961 151.5947 2.782590 157.5726 3.735135 -5.977951 
4.657686 
1 1 1 -7  -9  16 o 165.8473 2.222502  5759.981       151.1834 5654.896       
193.2738 5925.647       242.6711 163.9534 2.807849 167.7412 3.445873 -3.787842 
4.445004 
1 1 1 -7  -9  17 o 155.6644 2.645722  5090.000       172.6281 5402.665       
252.9367 4817.371       236.1888 160.1222 3.762543 151.2066 3.720571 8.915527 
5.291443 
1 1 1 -7  -9  18 o 108.8571 1.962803  2470.336       88.56361 2360.135       
115.2702 2629.120       138.3647 105.9354 2.591774 111.7788 2.948404 -5.843422 
3.925605 
1 1 1 -7  -9  19 o 109.1218 2.536497  2513.575       115.7431 2555.484       
157.5854 2464.484       170.5536 110.1325 3.408173 108.1111 3.757608 2.021347 
5.072993 
1 1 1 -7  -9  20 o 95.58768 5.372687  1940.565       215.6117 1940.565       
215.6117 0.000000       0.000000 95.58768 5.372687 ?        ?        ? ? 
1 1 1 -7  -9  21 o 48.24513 3.038880  489.7242       61.33027 544.5352       
91.23309 444.5329       82.84114 50.69151 4.286849 45.79875 4.308375 4.892761 
6.077761 
1 1 1 -7  -9  22 o 42.31427 3.423970  380.3820       60.74462 402.2823       
88.71394 361.0507       83.34860 43.45533 4.862616 41.17321 4.821749 2.282112 
6.847940 
1 1 1 -7  -9  23 o 100.7157 2.737239  2152.024       115.6423 2206.583       
167.7630 2102.629       159.6261 101.9155 3.920820 99.51575 3.820612 2.399788 
5.474478 
1 1 1 -7  -9  24 o 53.23532 2.887981  600.9804       64.33015 654.5543       
95.84411 557.0579       86.78252 55.37242 4.122807 51.09823 4.045269 4.274185 
5.775962 
1 1 1 -7  -9  25 o 105.6081 2.661076  2389.116       113.6432 2359.399       
187.0582 2406.501       143.0738 104.8313 4.250176 106.3849 3.203327 -1.553635 
5.322152 
1 1 1 -7  -9  26 o 30.26255 4.752364  212.0844       58.83773 233.5340       
85.53039 192.8149       81.06712 31.77026 6.629212 28.75484 6.811269 3.015419 
9.504727 
1 1 1 -7  -9  27 f 26.36232 5.483791  168.2038       70.09465 81.83064       
105.1432 237.2994       94.04095 21.16493 8.232721 31.55971 7.246388 -10.39478 
10.96758 
1 1 1 -7  -9  28 o 31.95488 5.663960  253.0202       74.69643 254.2610       
119.1009 252.2156       95.90201 31.62137 8.701949 32.28839 7.252437 
-0.6670227     11.32792 
1 1 1 -7  -9  29 o 47.01418 4.347388  511.1557       84.07562 506.7440       
131.8156 514.1815       109.1637 46.38777 6.768377 47.64058 5.457859 -1.252804 
8.694777 
1 1 1 -7  -9  30 o 45.61052 4.802691  496.7273       91.21252 590.2639       
138.2521 424.6313       121.3771 49.47832 6.655457 41.74271 6.925911 7.735607 
9.605381 
1 1 1 -7  -9  31 o 64.60641 3.981420  1004.577       105.2371 927.7422       
163.1238 1059.354       137.7327 61.46796 6.321054 67.74487 4.842633 -6.276909 
7.962841 
1 1 1 -7  -8  1  o 223.3268 2.764898  10463.02       258.9429 10182.50       
356.1151 10777.74       377.1946 220.1576 3.852811 226.4959 3.966671 -6.338272 
5.529795 
1 1 1 -7  -8  2  o 88.41141 1.852633  1642.901       68.70378 1591.105       
98.20975 1692.544       96.14674 87.04464 2.687408 89.77818 2.550849 -2.733536 
3.705266 
1 1 1 -7  -8  3  o 431.8350 3.949358  40027.91       566.0923 37880.60       
1267.274 40563.20       632.7293 424.2245 7.115341 439.4453 3.429526 -15.22079 
7.898716 
1 1 1 -7  -8  4  o 176.3265 2.260146  6630.697       123.8421 6381.347       
302.9984 6680.706       135.6938 174.2723 4.141265 178.3807 1.811896 -4.108353 
4.520292 
1 1 1 -7  -8  5  o 233.1954 2.260003  11429.77       214.3470 11390.00       
349.2532 11453.80       271.4915 232.8531 3.572560 233.5376 2.768984 
-0.6845245     4.520006 
1 1 1 -7  -8  6  o 224.7789 2.809341  10715.49       213.5062 10448.21       
470.0819 10784.95       239.6509 222.9346 5.022467 226.6232 2.518812 -3.688614 
5.618682 
1 1 1 -7  -8  7  f 120.2346 1.573094  3021.488       78.98934 2907.150       
105.5939 3166.758       119.0237 117.6653 2.137526 122.8038 2.308567 -5.138535 
3.146188 
1 1 1 -7  -8  8  o 364.7181 4.997867  27901.08       715.5955 28334.97       
1263.885 27696.36       868.1497 366.5883 8.212019 362.8481 5.698898 3.740204 
9.995734 
1 1 1 -7  -8  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -8  10 o 371.2881 3.804069  28459.26       460.0948 28145.61       
508.2150 29884.21       1083.238 366.0020 3.307387 376.5742 6.851639 -10.57214 
7.608138 
1 1 1 -7  -8  11 o 66.81165 2.040725  940.7130       56.78055 913.3732       
85.23342 962.5270       76.13440 65.93242 3.079158 67.69086 2.678995 -1.758446 
4.081450 
1 1 1 -7  -8  12 f 16.51903 3.994480  50.01480       35.10762 18.30043       
52.28477 76.05440       47.37664 14.16050 5.708507 18.87756 5.588956 -4.717057 
7.988960 
1 1 1 -7  -8  13 o 89.56522 1.802284  1683.432       66.95760 1672.179       
87.99028 1698.913       103.2035 89.21637 2.349152 89.91406 2.733933 
-0.6976929     3.604567 
1 1 1 -7  -8  14 o 56.21945 1.959793  662.0803       46.16661 628.0291       
62.93399 701.7532       67.93086 54.66063 2.742405 57.77827 2.800423 -3.117641 
3.919586 
1 1 1 -7  -8  15 o 147.2187 1.978285  4518.477       121.4941 4234.150       
161.1871 4892.518       184.8759 141.9099 2.705443 152.5274 2.887044 -10.61749 
3.956570 
1 1 1 -7  -8  16 o 73.53157 1.853149  1139.154       57.10014 1193.016       
79.69380 1082.334       81.85307 75.32594 2.520003 71.73721 2.717763 3.588737 
3.706299 
1 1 1 -7  -8  17 o 81.48477 2.133565  1396.247       72.87823 1291.975       
101.6056 1506.735       104.5899 78.34890 3.088914 84.62064 2.943979 -6.271744 
4.267130 
1 1 1 -7  -8  18 o 179.0346 2.901910  6811.020       214.0687 7052.953       
280.0979 6471.242       331.9390 182.9719 3.646251 175.0973 4.515438 7.874588 
5.803820 
1 1 1 -7  -8  19 o 151.1375 3.369653  4833.914       213.2723 4702.198       
310.3529 4951.771       293.5715 149.1437 4.956464 153.1313 4.566368 -3.987640 
6.739306 
1 1 1 -7  -8  20 f 66.34362 3.546207  927.9798       98.77390 0.000000       
0.000000 927.9798       98.77390 ?        ?        66.34362 3.546207 ? ? 
1 1 1 -7  -8  21 o 21.88219 5.321621  94.92097       59.19733 80.56454       
89.75514 105.9740       78.75471 21.25508 7.743790 22.50930 7.301529 -1.254213 
10.64324 
1 1 1 -7  -8  22 o 92.46765 2.606285  1793.987       99.00118 1877.324       
158.7513 1740.950       126.6447 94.14571 4.016407 90.78960 3.322553 3.356117 
5.212570 
1 1 1 -7  -8  23 o 111.5046 2.427759  2630.490       113.6409 2666.097       
162.0957 2596.073       159.3642 112.2449 3.439744 110.7643 3.426984 1.480568 
4.855518 
1 1 1 -7  -8  24 o 25.21328 4.991817  143.3199       58.43341 75.37142       
85.41702 203.0910       80.11246 20.42372 7.542038 30.00283 6.541452 -9.579113 
9.983633 
1 1 1 -7  -8  25 o 63.47717 2.900172  856.1434       76.90693 745.9730       
104.6757 985.3741       113.3695 59.03246 4.223533 67.92187 3.975644 -8.889404 
5.800343 
1 1 1 -7  -8  26 o 99.05045 2.529351  2100.880       104.5253 2144.810       
141.0920 2047.441       155.6151 100.3064 3.350386 97.79448 3.790168 2.511925 
5.058702 
1 1 1 -7  -8  27 o 63.97681 2.790592  884.8004       74.61217 842.8104       
109.1686 921.6078       102.2099 62.45483 4.163446 65.49879 3.716897 -3.043968 
5.581183 
1 1 1 -7  -8  28 o 31.22384 5.297654  232.0699       68.58305 193.5530       
91.59372 281.2235       103.4709 28.24473 7.568840 34.20294 7.414393 -5.958210 
10.59531 
1 1 1 -7  -8  29 o 19.56437 5.580264  22.23707       74.48061 146.6192       
120.0839 -55.52809      94.95070 24.75516 8.963141 14.37359 6.649773 10.38157 
11.16053 
1 1 1 -7  -8  30 o 42.92717 4.588743  422.3831       81.49685 511.1280       
129.2982 363.8873       104.9743 46.46431 6.628174 39.39003 6.347721 7.074276 
9.177485 
1 1 1 -7  -8  31 o 38.67065 5.673636  390.2103       90.89296 522.8010       
136.6909 285.1144       121.6959 45.63213 7.134934 31.70916 8.823451 13.92297 
11.34727 
1 1 1 -7  -7  1  o 155.9098 2.280358  5105.302       149.2601 5053.013       
210.6095 5158.066       211.5650 155.1075 3.234196 156.7121 3.215604 -1.604553 
4.560716 
1 1 1 -7  -7  2  o 175.5097 2.564071  6477.988       188.5659 5999.606       
266.2358 6959.521       267.1111 168.9963 3.752412 182.0231 3.495317 -13.02686 
5.128141 
1 1 1 -7  -7  3  o 354.2220 3.830444  26584.87       451.8255 26043.15       
1016.193 26718.35       504.4292 351.7875 6.880452 356.6566 3.368767 -4.869171 
7.660888 
1 1 1 -7  -7  4  o 121.5619 1.988021  3092.037       83.47499 3123.217       
180.1314 3083.510       94.20035 121.9362 3.518663 121.1876 1.851464 0.7485886 
3.976041 
1 1 1 -7  -7  5  o 329.5093 3.938270  23473.49       434.5732 21768.47       
956.4147 23917.10       487.8410 321.5843 7.083900 337.4342 3.443580 -15.84991 
7.876540 
1 1 1 -7  -7  6  o 452.0809 3.040855  42973.66       562.7751 42826.34       
901.3694 43067.77       720.4534 451.3931 4.756297 452.7687 3.790099 -1.375549 
6.081711 
1 1 1 -7  -7  7  o 175.1481 1.932165  6423.562       140.1750 6329.779       
183.1767 6556.087       217.7513 173.6159 2.513054 176.6803 2.935577 -3.064453 
3.864331 
1 1 1 -7  -7  8  o 98.88895 1.625425  2021.635       66.74596 2266.028       
104.1611 1851.368       86.94143 103.8799 2.388335 93.89803 2.205420 9.981842 
3.250850 
1 1 1 -7  -7  9  o 225.9379 1.991264  10783.94       183.9690 10439.55       
293.3242 11007.25       236.2003 222.9328 3.133971 228.9430 2.457390 -6.010193 
3.982529 
1 1 1 -7  -7  10 f 144.7743 1.968477  4401.067       119.6468 0.000000       
0.000000 4401.067       119.6468 ?        ?        144.7743 1.968477 ? ? 
1 1 1 -7  -7  11 o 43.35101 3.753623  394.9821       68.31701 394.9821       
68.31701 0.000000       0.000000 43.35101 3.753623 ?        ?        ? ? 
1 1 1 -7  -7  12 o 202.0637 2.278807  8365.977       175.9404 8080.229       
207.5737 9095.080       331.5698 196.1306 2.520856 207.9967 3.796990 -11.86618 
4.557615 
1 1 1 -7  -7  13 o 68.95992 1.992486  990.6929       57.43515 901.7994       
77.07487 1101.696       86.12825 65.51148 2.802312 72.40835 2.833205 -6.896866 
3.984972 
1 1 1 -7  -7  14 o 39.49106 2.488584  331.2618       40.67954 393.5551       
57.39814 268.3946       57.66188 43.26574 3.159911 35.71639 3.845407 7.549347 
4.977167 
1 1 1 -7  -7  15 o 163.6621 2.366518  5583.209       155.9041 5458.177       
193.5548 5814.186       263.0734 161.1240 2.861309 166.2002 3.770217 -5.076218 
4.733036 
1 1 1 -7  -7  16 o 206.3930 2.886385  8901.514       231.9172 8778.261       
278.8827 9177.847       417.5798 204.2420 3.252352 208.5440 4.769390 -4.302002 
5.772769 
1 1 1 -7  -7  17 o 86.28172 1.939003  1564.100       70.19276 1517.024       
97.14340 1615.531       101.5374 84.92588 2.724547 87.63756 2.759669 -2.711678 
3.878006 
1 1 1 -7  -7  18 o 207.0424 4.163014  9068.149       359.3860 9210.966       
542.6852 8956.592       479.6324 208.3856 6.202994 205.6993 5.553883 2.686234 
8.326029 
1 1 1 -7  -7  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -7  20 o 131.9089 2.933998  3665.319       162.3398 3830.480       
235.6554 3516.147       223.9573 134.7293 4.166164 129.0885 4.132366 5.640854 
5.867996 
1 1 1 -7  -7  21 o 33.80833 4.519359  253.9433       61.00749 222.4219       
96.26927 275.0979       78.86539 31.60465 7.381663 36.01202 5.216269 -4.407375 
9.038717 
1 1 1 -7  -7  22 o 90.21799 2.866498  1722.724       107.5471 1720.956       
163.6445 1724.068       142.6891 90.12682 4.324823 90.30916 3.763397 
-0.1823425     5.732997 
1 1 1 -7  -7  23 o 115.6638 2.976355  2838.134       143.0963 2841.382       
218.2591 2835.686       189.5100 115.6351 4.495766 115.6925 3.901646 
-0.5738831E-01 5.952710 
1 1 1 -7  -7  24 o 84.17735 2.591851  1497.235       91.42760 1386.740       
125.3429 1622.867       133.6531 80.86395 3.692036 87.49075 3.638631 -6.626808 
5.183702 
1 1 1 -7  -7  25 o 78.76747 2.551470  1319.637       84.13140 1306.659       
123.4160 1330.903       114.9899 78.36600 3.751153 79.16894 3.459601 
-0.8029327     5.102939 
1 1 1 -7  -7  26 o 47.69314 3.409146  484.9126       67.57334 533.8177       
104.8853 450.2092       88.35347 49.66461 5.030238 45.72167 4.602805 3.942936 
6.818293 
1 1 1 -7  -7  27 o 90.78070 2.659211  1747.495       97.61029 1840.262       
163.1978 1695.825       121.7976 92.39533 4.207125 89.16608 3.253570 3.229256 
5.318423 
1 1 1 -7  -7  28 o 63.15137 3.107024  862.0643       81.99791 916.8903       
123.2563 818.5343       109.8272 64.87664 4.525242 61.42611 4.258708 3.450527 
6.214049 
1 1 1 -7  -7  29 o 72.93752 2.960424  1159.842       90.64849 1158.576       
127.5150 1161.135       128.8886 72.91081 4.165724 72.96423 4.207515 
-0.5342102E-01 5.920848 
1 1 1 -7  -7  30 o 53.77772 4.023754  638.8275       88.67572 751.6948       
145.6894 572.4066       111.7626 57.14487 6.072561 50.41057 5.280755 6.734306 
8.047507 
1 1 1 -7  -7  31 o 24.33533 6.178330  155.6057       81.90132 113.3298       
129.6895 183.6507       105.6299 22.44722 9.014779 26.22343 8.451083 -3.776211 
12.35666 
1 1 1 -7  -7  32 o 27.50147 6.438386  213.6653       85.90618 298.6046       
138.0160 159.9448       109.7603 31.13949 9.605194 23.86345 8.576218 7.276037 
12.87677 
1 1 1 -7  -6  1  o 51.38926 2.205739  554.6024       47.53738 555.4627       
68.87405 553.8195       65.69460 51.42673 3.189979 51.35178 3.047160 
0.7494736E-01  4.411479 
1 1 1 -7  -6  2  o 344.4769 3.894191  24943.75       554.2163 24978.04       
864.6165 24919.83       722.0649 344.6298 5.975741 344.3239 4.994938 0.3058777 
7.788382 
1 1 1 -7  -6  3  o 67.97021 1.879645  914.8483       47.72864 1092.211       
95.24097 855.3685       55.15409 72.11348 3.145781 63.82695 2.058234 8.286530 
3.759290 
1 1 1 -7  -6  4  o 346.9703 4.134353  24982.64       522.0017 25989.80       
1052.511 24654.09       601.1445 351.3939 7.134339 342.5467 4.180038 8.847198 
8.268706 
1 1 1 -7  -6  5  o 346.7406 3.247922  25325.53       461.6757 24991.34       
734.7166 25543.59       593.4801 344.8027 5.075400 348.6785 4.054171 -3.875854 
6.495843 
1 1 1 -7  -6  6  o 284.6774 2.697213  16900.85       303.5174 16661.33       
369.9752 17393.82       530.7830 281.6526 3.128815 287.7022 4.394353 -6.049561 
5.394425 
1 1 1 -7  -6  7  o 247.6505 2.066364  12907.81       213.9951 12545.02       
314.4709 13220.69       292.0418 244.3968 3.064827 250.9042 2.772414 -6.507446 
4.132729 
1 1 1 -7  -6  8  o 57.89305 1.701843  697.8977       41.18745 625.7955       
55.48510 786.3910       61.46917 54.59039 2.420925 61.19571 2.392530 -6.605320 
3.403686 
1 1 1 -7  -6  9  o 57.62761 1.780968  685.1558       42.68913 606.5477       
55.95802 794.5975       66.02676 53.74324 2.480045 61.51197 2.556710 -7.768730 
3.561936 
1 1 1 -7  -6  10 o 152.4858 1.808157  4832.977       114.0182 5164.079       
179.7763 4610.176       147.4722 156.8051 2.730822 148.1665 2.370726 8.638611 
3.616314 
1 1 1 -7  -6  11 o 145.0350 2.443187  4408.962       147.4411 4499.267       
225.0279 4341.030       195.1713 146.3248 3.663022 143.7453 3.234024 2.579437 
4.886373 
1 1 1 -7  -6  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -6  13 o 333.7344 4.795792  23371.35       640.3492 23918.76       
1090.418 23083.19       791.1361 336.4525 7.719518 331.0163 5.692760 5.436188 
9.591583 
1 1 1 -7  -6  14 o 360.6790 4.091215  27582.73       552.4031 27096.02       
1050.425 27768.78       649.4614 358.0947 6.986961 363.2632 4.258464 -5.168579 
8.182429 
1 1 1 -7  -6  15 o 29.16005 3.401108  185.2984       39.73653 139.0851       
56.32337 231.0958       56.06937 25.18593 5.479446 33.13417 4.030609 -7.948244 
6.802216 
1 1 1 -7  -6  16 o 119.0571 1.861931  2973.106       92.60058 2915.965       
124.3273 3044.299       138.7746 117.7828 2.514235 120.3314 2.746957 -2.548660 
3.723862 
1 1 1 -7  -6  17 o 14.18052 4.202384  7.866412       40.63349 9.309232       
50.53255 5.226721       68.35049 13.31564 5.519860 15.04541 6.338081 -1.729773 
8.404768 
1 1 1 -7  -6  18 o 120.6155 3.120345  3080.894       156.2180 2995.872       
237.7886 3145.454       207.2066 119.0946 4.755760 122.1365 4.040912 -3.041847 
6.240691 
1 1 1 -7  -6  19 o 126.8887 4.296920  3251.533       186.6969 3699.378       
418.5934 3140.324       208.5934 131.7393 7.568297 122.0381 4.071235 9.701187 
8.593840 
1 1 1 -7  -6  20 o 116.8663 2.915989  2918.225       139.8390 2685.249       
217.3377 3082.811       182.6731 112.7676 4.590625 120.9651 3.596961 -8.197502 
5.831978 
1 1 1 -7  -6  21 o 55.46539 3.039103  650.6951       70.51562 638.2837       
103.6619 661.3848       96.20355 54.95660 4.492833 55.97417 4.093780 -1.017570 
6.078206 
1 1 1 -7  -6  22 o 55.42435 3.190963  640.1460       73.64674 756.5452       
112.3769 552.5186       97.50387 59.77373 4.478037 51.07496 4.547104 8.698765 
6.381926 
1 1 1 -7  -6  23 o 119.6031 3.340282  3057.072       164.9917 2935.596       
254.6171 3145.002       216.6267 117.4017 5.165761 121.8044 4.236136 -4.402748 
6.680564 
1 1 1 -7  -6  24 o 24.16599 5.460293  125.8570       62.14124 121.3014       
96.23016 129.1155       81.38532 24.09060 8.071839 24.24138 7.355583 
-0.1507816     10.92059 
1 1 1 -7  -6  25 o 62.24053 2.816754  825.0349       73.36735 744.2258       
103.0852 907.9857       104.4423 59.11250 4.153728 65.36857 3.805647 -6.256069 
5.633508 
1 1 1 -7  -6  26 o 23.63669 5.298853  115.0413       62.19196 182.9415       
91.81499 57.47475       84.54013 28.15636 7.592821 19.11703 7.393271 9.039331 
10.59771 
1 1 1 -7  -6  27 o 89.34249 2.655620  1702.519       99.43721 1576.793       
136.6652 1843.953       144.9512 85.83172 3.792550 92.85326 3.718311 -7.021545 
5.311240 
1 1 1 -7  -6  28 o 51.13214 3.452621  583.2225       72.24915 461.3750       
105.6534 690.2507       99.02030 45.73832 5.502047 56.52596 4.172510 -10.78764 
6.905241 
1 1 1 -7  -6  29 o 50.80489 3.673887  578.0859       76.79600 454.5977       
109.0353 699.6479       108.1816 45.05009 5.764910 56.55968 4.555831 -11.50959 
7.347774 
1 1 1 -7  -6  30 o 43.13915 4.234794  440.9011       71.64902 347.2556       
108.0530 514.3872       95.71854 38.05507 7.027207 48.22324 4.727818 -10.16817 
8.469587 
1 1 1 -7  -6  31 o 54.56034 4.407930  703.9437       95.64691 659.3623       
158.9848 729.2319       119.7398 52.21249 7.252742 56.90820 5.011697 -4.695709 
8.815860 
1 1 1 -7  -6  32 o 82.64034 3.733217  1556.687       126.8259 1738.585       
204.8009 1443.542       161.5242 85.84931 5.682194 79.43135 4.843582 6.417961 
7.466433 
1 1 1 -7  -5  1  o 120.0791 2.104492  3019.229       105.9311 3199.469       
155.0893 2861.604       145.0341 123.4282 2.992874 116.7300 2.959434 6.698212 
4.208984 
1 1 1 -7  -5  2  o 234.3376 3.125683  11107.80       256.2473 10778.47       
288.8144 12326.03       555.4770 226.5430 3.036611 242.1323 5.464300 -15.58923 
6.251366 
1 1 1 -7  -5  3  o 244.8412 2.319947  12559.20       228.1879 12700.14       
384.1626 12482.36       283.6485 245.8803 3.721452 243.8021 2.771176 2.078217 
4.639895 
1 1 1 -7  -5  4  o 129.5043 2.275299  3539.221       110.3857 3485.452       
209.9423 3559.765       129.7717 128.8053 3.882283 130.2034 2.373990 -1.398026 
4.550599 
1 1 1 -7  -5  5  o 310.3818 2.771750  19909.87       346.3221 19130.07       
428.4389 21379.96       588.2598 301.7882 3.381487 318.9753 4.392715 -17.18713 
5.543501 
1 1 1 -7  -5  6  o 221.8795 2.236031  10237.46       189.8913 10094.17       
225.3201 10588.69       352.7702 219.2506 2.447824 224.5084 3.742660 -5.257843 
4.472063 
1 1 1 -7  -5  7  o 231.9096 2.476505  11208.23       219.3585 11084.94       
260.0836 11512.08       408.2897 229.7496 2.696368 234.0696 4.154746 -4.320007 
4.953010 
1 1 1 -7  -5  8  o 127.8392 1.669696  3423.273       89.45150 3299.300       
122.1163 3566.812       131.4003 125.3485 2.320468 130.3298 2.401451 -4.981262 
3.339392 
1 1 1 -7  -5  9  o 244.8671 2.707870  12698.32       273.6171 12013.91       
421.8074 13195.52       359.5196 239.1031 4.201942 250.6311 3.416714 -11.52798 
5.415741 
1 1 1 -7  -5  10 o 274.4178 2.378422  15800.20       268.5922 15722.83       
346.6280 15916.45       424.9079 273.5978 3.017673 275.2378 3.677120 -1.639984 
4.756844 
1 1 1 -7  -5  11 o 125.1514 2.111351  3282.183       110.7702 3152.419       
151.6563 3430.577       162.1781 122.5071 2.948629 127.7956 3.022715 -5.288521 
4.222703 
1 1 1 -7  -5  12 o 268.1646 3.482924  15044.98       387.9186 14597.22       
509.1122 15664.76       598.9776 263.4675 4.602645 272.8618 5.228642 -9.394257 
6.965848 
1 1 1 -7  -5  13 o 160.0817 3.796943  5387.039       255.1848 0.000000       
0.000000 5387.039       255.1848 ?        ?        160.0817 3.796943 ? ? 
1 1 1 -7  -5  14 o 142.2330 2.444953  4249.978       142.6115 4265.965       
227.7031 4239.658       182.9341 142.4312 3.807894 142.0348 3.067756 0.3963928 
4.889906 
1 1 1 -7  -5  15 o 153.0458 2.711257  4919.203       174.0384 4738.423       
239.7234 5120.678       253.0736 150.0804 3.804589 156.0113 3.863776 -5.930923 
5.422514 
1 1 1 -7  -5  16 o 81.63130 1.865863  1399.831       63.92620 1432.859       
91.82056 1368.764       89.05354 82.56480 2.648903 80.69781 2.628515 1.866982 
3.731726 
1 1 1 -7  -5  17 o 65.63248 2.680212  912.4274       72.41638 879.5206       
113.0895 935.2986       94.28152 64.60116 4.169682 66.66381 3.368663 -2.062653 
5.360423 
1 1 1 -7  -5  18 o 143.4528 8.739190  4407.434       526.3311 0.000000       
0.000000 4407.434       526.3311 ?        ?        143.4528 8.739190 ? ? 
1 1 1 -7  -5  19 o 167.1481 3.987366  5816.409       269.4715 6279.536       
453.3684 5563.415       335.0857 172.0344 6.277070 162.2618 4.918817 9.772644 
7.974732 
1 1 1 -7  -5  20 o 174.9855 3.589040  6341.778       253.4916 6941.199       
429.4225 6021.188       314.0468 181.0582 5.649210 168.9129 4.428460 12.14529 
7.178080 
1 1 1 -7  -5  21 o 51.81297 3.363478  581.4354       71.32414 460.2263       
104.9441 685.4840       97.23193 46.62251 5.361467 57.00342 4.062834 -10.38092 
6.726957 
1 1 1 -7  -5  22 o 141.8255 3.468863  4253.106       206.0643 4374.192       
303.6208 4149.702       280.5791 143.6591 5.034070 139.9918 4.773907 3.667389 
6.937726 
1 1 1 -7  -5  23 f 171.4141 3.726170  6200.777       253.5427 6410.509       
439.5774 6096.218       310.3740 173.2037 6.045040 169.6244 4.358308 3.579285 
7.452339 
1 1 1 -7  -5  24 o 151.9163 3.606072  4886.985       228.3957 5197.235       
347.9118 4652.019       302.7726 156.0250 5.311243 147.8077 4.879110 8.217255 
7.212143 
1 1 1 -7  -5  25 o 29.16081 5.340436  193.5083       65.76472 185.0762       
98.49475 200.2917       88.34209 28.57250 7.933771 29.74913 7.150967 -1.176628 
10.68087 
1 1 1 -7  -5  26 o 32.92513 4.605633  243.3177       62.26396 284.6246       
87.21629 200.3838       88.91742 36.25378 5.730142 29.59647 7.211997 6.657307 
9.211267 
1 1 1 -7  -5  27 o 27.38058 5.124682  173.3009       62.72284 241.1488       
88.23546 103.9941       89.17904 32.48356 6.698761 22.27759 7.757324 10.20597 
10.24936 
1 1 1 -7  -5  28 f 27.94565 5.344566  184.4769       64.15864 187.6134       
88.09758 180.9346       93.62227 28.23116 7.358653 27.66014 7.752921 0.5710182 
10.68913 
1 1 1 -7  -5  29 o 20.65187 5.519777  80.28597       65.55647 102.9973       
97.26262 61.37884       88.74363 22.09729 8.060116 19.20646 7.543627 2.890827 
11.03955 
1 1 1 -7  -5  30 o 65.14853 3.079305  947.1820       81.97139 723.9139       
118.0208 1155.267       113.9371 57.21762 4.913035 73.07944 3.713566 -15.86182 
6.158610 
1 1 1 -7  -5  31 o 21.06609 5.266457  67.16944       71.41293 -70.58472      
103.2711 193.4059       98.85956 14.52987 6.801495 27.60231 8.042508 -13.07245 
10.53291 
1 1 1 -7  -5  32 o 46.50797 5.263144  554.5121       95.24928 466.1335       
149.7227 614.5976       123.4522 41.61940 8.835765 51.39652 5.721186 -9.777119 
10.52629 
1 1 1 -7  -5  33 o 68.30650 3.922277  1089.021       107.3508 1169.606       
182.5522 1046.423       132.7251 69.07281 6.295075 67.54018 4.680713 1.532639 
7.844555 
1 1 1 -7  -4  1  o 161.8228 2.565485  5408.901       170.7043 5076.887       
217.4870 5941.640       275.4940 155.4714 3.331991 168.1741 3.901882 -12.70265 
5.130969 
1 1 1 -7  -4  2  o 219.0192 2.980458  10036.46       270.9483 9808.006       
355.4344 10353.37       418.6330 216.0700 3.918195 221.9684 4.492244 -5.898407 
5.960916 
1 1 1 -7  -4  3  o 253.6750 2.437220  13503.57       240.0237 13551.22       
431.6789 13482.25       288.7792 253.9691 4.048564 253.3810 2.714645 0.5881653 
4.874440 
1 1 1 -7  -4  4  o 189.5802 2.127195  7547.998       169.2256 7235.070       
238.0305 7867.807       240.6332 185.6058 3.054654 193.5546 2.961237 -7.948746 
4.254390 
1 1 1 -7  -4  5  o 222.0547 2.372788  10317.04       216.6385 10164.61       
278.4465 10550.81       344.8379 219.9973 3.014710 224.1121 3.664973 -4.114792 
4.745577 
1 1 1 -7  -4  6  o 190.9444 1.789620  7630.403       139.1561 7761.221       
227.1592 7551.822       176.0581 192.2423 2.814508 189.6465 2.211221 2.595795 
3.579239 
1 1 1 -7  -4  7  o 265.6793 2.978368  14679.50       314.8387 14366.89       
385.7209 15303.53       544.9672 261.5237 3.513040 269.8348 4.810536 -8.311066 
5.956737 
1 1 1 -7  -4  8  f 364.5137 3.679571  27951.33       546.4260 28005.37       
693.9037 27863.13       886.5408 365.0450 4.527661 363.9825 5.801487 1.062469 
7.359142 
1 1 1 -7  -4  9  f 179.0414 2.026758  6589.309       149.1166 6085.433       
189.3554 7411.946       241.9466 170.2283 2.649518 187.8546 3.067742 -17.62624 
4.053516 
1 1 1 -7  -4  10 o 96.16519 1.816146  1935.139       71.80474 1975.813       
114.2805 1908.608       92.29939 96.99331 2.806412 95.33708 2.305993 1.656227 
3.632293 
1 1 1 -7  -4  11 o 330.9126 2.702057  22751.78       324.1205 22503.75       
372.7299 23521.00       656.4031 327.3365 2.712194 334.4886 4.674232 -7.152100 
5.404114 
1 1 1 -7  -4  12 o 278.3928 3.555446  16181.72       406.8102 15739.32       
521.0453 16872.47       651.0695 273.6051 4.535992 283.1805 5.476274 -9.575317 
7.110892 
1 1 1 -7  -4  13 o 53.96396 2.034517  610.6371       46.00204 558.3784       
63.70615 667.5748       66.49697 51.55494 2.943284 56.37298 2.809648 -4.818043 
4.069035 
1 1 1 -7  -4  14 o 146.7887 2.242584  4572.247       136.7138 4139.874       
202.6381 4933.479       185.2189 140.3429 3.439156 153.2346 2.879052 -12.89171 
4.485168 
1 1 1 -7  -4  15 f 127.0188 5.808795  3402.076       309.7655 3402.076       
309.7655 0.000000       0.000000 127.0188 5.808795 ?        ?        ? ? 
1 1 1 -7  -4  16 o 149.5670 3.297738  4733.936       205.2701 4889.606       
275.4647 4539.560       307.8130 152.3842 4.305733 146.7498 4.996094 5.634445 
6.595475 
1 1 1 -7  -4  17 o 25.96457 9.253328  123.9723       127.5386 123.9723       
127.5386 0.000000       0.000000 25.96457 9.253328 ?        ?        ? ? 
1 1 1 -7  -4  18 o 27.07804 5.087764  159.1182       58.40134 180.8555       
89.47610 142.9842       77.08592 28.62027 7.395506 25.53582 6.989123 3.084454 
10.17553 
1 1 1 -7  -4  19 o 117.3153 3.224863  2871.996       152.0288 3020.547       
258.0205 2792.998       188.1596 119.5218 5.141956 115.1088 3.893489 4.412971 
6.449726 
1 1 1 -7  -4  20 o 62.92279 3.120405  862.4963       79.71700 689.7305       
121.0184 994.9218       105.9517 57.12565 5.045929 68.71992 3.672370 -11.59427 
6.240810 
1 1 1 -7  -4  21 o 99.04475 3.060702  2056.727       125.3784 2146.283       
196.6872 1995.427       162.7253 100.8094 4.647250 97.28009 3.984303 3.529327 
6.121405 
1 1 1 -7  -4  22 o 122.9613 3.170147  3179.660       162.8699 3349.294       
244.8847 3045.104       218.1008 125.8593 4.634440 120.0633 4.326811 5.796036 
6.340294 
1 1 1 -7  -4  23 o 52.98198 3.376838  589.6296       74.42483 713.8846       
110.6868 487.0963       100.5475 58.05468 4.541293 47.90928 4.998880 10.14540 
6.753676 
1 1 1 -7  -4  24 o 18.19002 5.246669  17.58563       65.08794 68.89735       
96.31838 -25.53836      88.29993 20.86462 7.937609 15.51542 6.863274 5.349205 
10.49334 
1 1 1 -7  -4  25 f 46.06766 3.771657  456.0110       71.50921 443.6721       
111.9332 464.5197       92.95044 45.44775 5.866344 46.68756 4.742106 -1.239811 
7.543313 
1 1 1 -7  -4  26 o 102.9388 2.854861  2262.732       122.8323 2162.906       
179.9112 2349.893       168.1109 100.7269 4.254357 105.1507 3.808068 -4.423851 
5.709723 
1 1 1 -7  -4  27 o 89.04832 2.873618  1693.386       107.2488 1561.163       
149.3902 1834.010       154.0630 85.42416 4.165456 92.67248 3.959758 -7.248314 
5.747235 
1 1 1 -7  -4  28 o 71.19768 2.915289  1089.140       87.13383 1091.788       
122.4969 1086.428       123.9680 71.29733 4.092350 71.09802 4.153107 0.1993027 
5.830577 
1 1 1 -7  -4  29 o 27.24914 5.399053  172.4277       64.10122 214.8708       
98.44562 141.1881       84.45891 29.94078 7.767003 24.55750 7.501517 5.383276 
10.79811 
1 1 1 -7  -4  30 o 15.80985 4.971117  -20.86548      67.24405 -53.88184      
95.09663 12.15203       95.09827 14.56455 6.706171 17.05515 7.339977 -2.490602 
9.942233 
1 1 1 -7  -4  31 o 48.13599 3.854011  521.1158       77.84782 538.4250       
112.2462 505.0737       108.0600 48.89491 5.468006 47.37707 5.432727 1.517841 
7.708023 
1 1 1 -7  -4  32 o 46.02229 3.843407  484.7650       73.95656 459.2464       
107.3666 507.8048       102.0190 44.66396 5.725757 47.38063 5.128627 -2.716679 
7.686813 
1 1 1 -7  -4  33 o 36.19370 6.424529  381.1011       95.54833 354.9162       
162.4034 394.9631       118.1631 33.40036 10.44296 38.98705 7.486176 -5.586693 
12.84906 
1 1 1 -7  -3  1  f 151.8751 2.741471  4894.181       170.4096 4616.779       
269.0087 5080.110       220.2342 148.2304 4.322650 155.5197 3.373032 -7.289322 
5.482941 
1 1 1 -7  -3  2  o 236.7380 3.255360  11888.20       300.0582 11479.52       
531.4985 12079.39       363.5316 233.6740 5.417674 239.8020 3.610859 -6.128021 
6.510721 
1 1 1 -7  -3  3  o 82.44165 1.829314  1355.398       58.21209 1609.608       
109.7252 1255.822       68.67318 87.54591 2.985325 77.33739 2.115041 10.20851 
3.658628 
1 1 1 -7  -3  4  o 299.6997 3.456462  18877.82       422.2857 18879.38       
684.6149 18876.87       536.5068 299.6654 5.441653 299.7340 4.263441 
-0.6866455E-01 6.912923 
1 1 1 -7  -3  5  o 172.8571 1.936817  6313.007       138.8302 6010.010       
210.8017 6545.086       184.4899 169.1661 2.968123 176.5481 2.489033 -7.382004 
3.873633 
1 1 1 -7  -3  6  o 251.7935 2.309124  13316.34       244.1002 13271.57       
345.3392 13361.04       345.0805 251.3703 3.272299 252.2167 3.258875 
-0.8464355     4.618247 
1 1 1 -7  -3  7  o 89.43918 1.490707  1678.530       55.95402 1641.730       
77.81847 1717.921       80.51213 88.42501 2.096180 90.45334 2.120107 -2.028328 
2.981413 
1 1 1 -7  -3  8  o 102.8660 1.693775  2221.143       73.07263 2238.626       
105.9703 2205.295       100.8969 103.2511 2.444615 102.4809 2.345071 0.7701874 
3.387551 
1 1 1 -7  -3  9  o 298.5067 3.516651  18764.26       434.7025 18934.66       
571.0102 18529.36       670.4076 300.1573 4.531228 296.8560 5.379156 3.301300 
7.033302 
1 1 1 -7  -3  10 o 43.13941 2.173808  389.4637       39.26802 409.8572       
58.13997 372.3574       53.24859 44.17358 3.134969 42.10525 3.012264 2.068333 
4.347616 
1 1 1 -7  -3  11 o 68.02008 1.804271  966.5089       51.38300 1065.647       
75.74072 881.9778       69.93864 71.23474 2.532553 64.80541 2.570556 6.429329 
3.608543 
1 1 1 -7  -3  12 o 167.7742 2.548679  5838.193       173.6556 6208.824       
288.2685 5627.081       217.5624 171.8818 3.994739 163.6665 3.166249 8.215286 
5.097359 
1 1 1 -7  -3  13 o 247.9317 3.637923  12933.44       378.6099 12651.03       
535.0925 13216.58       535.7787 245.2154 5.197592 250.6480 5.091460 -5.432571 
7.275846 
1 1 1 -7  -3  14 o 202.3544 2.422380  8576.057       200.5151 8476.521       
255.4960 8735.676       323.5471 200.8566 3.029836 203.8521 3.780448 -2.995514 
4.844759 
1 1 1 -7  -3  15 o 198.5114 2.861637  7960.379       194.0440 7736.886       
216.8106 8860.039       434.9975 191.8967 2.691126 205.1262 5.051109 -13.22945 
5.723274 
1 1 1 -7  -3  16 o 137.4864 3.824957  3976.737       220.7829 0.000000       
0.000000 3976.737       220.7829 ?        ?        137.4864 3.824957 ? ? 
1 1 1 -7  -3  17 o 37.35608 8.742769  308.8721       134.8285 0.000000       
0.000000 308.8721       134.8285 ?        ?        37.35608 8.742769 ? ? 
1 1 1 -7  -3  18 o 117.5089 3.101347  2937.996       147.1114 2812.427       
241.4029 3012.177       185.5449 115.4178 4.981850 119.5999 3.695211 -4.182083 
6.202694 
1 1 1 -7  -3  19 o 22.23690 5.309087  93.75592       57.53438 122.3780       
94.06098 76.64550       72.72594 24.38621 7.980344 20.08758 7.004266 4.298628 
10.61817 
1 1 1 -7  -3  20 o 76.13591 2.763403  1209.062       86.65182 1286.141       
138.3455 1159.303       111.1566 78.08559 4.220026 74.18623 3.568890 3.899361 
5.526807 
1 1 1 -7  -3  21 o 146.9914 3.313727  4560.901       199.5597 4571.297       
319.2834 4554.236       255.6472 147.0333 5.172277 146.9495 4.143754 
0.8377075E-01  6.627454 
1 1 1 -7  -3  22 o 184.9031 3.679921  7209.952       283.9310 7468.532       
428.8372 7008.124       378.8676 187.7738 5.439744 182.0325 4.957466 5.741348 
7.359843 
1 1 1 -7  -3  23 f 86.54895 2.898430  1581.466       103.6928 1590.375       
161.6222 1575.233       135.1821 86.70689 4.439851 86.39101 3.727106 0.3158875 
5.796861 
1 1 1 -7  -3  24 o 68.78687 2.953594  997.4796       85.10207 1076.216       
125.4946 930.4440       115.7947 71.28633 4.193146 66.28739 4.160819 4.998940 
5.907189 
1 1 1 -7  -3  25 o 134.3997 3.361981  3847.486       189.5332 3766.340       
271.9970 3924.077       264.2516 132.9749 4.872093 135.8246 4.634044 -2.849716 
6.723961 
1 1 1 -7  -3  26 o 98.22456 3.060379  2055.232       126.0757 2070.170       
174.7837 2039.028       182.0332 98.63097 4.220934 97.81814 4.432537 0.8128357 
6.120758 
1 1 1 -7  -3  27 o 69.41537 3.022036  1029.715       88.02265 984.4372       
123.6631 1076.213       125.3191 67.84916 4.341268 70.98158 4.205259 -3.132423 
6.044072 
1 1 1 -7  -3  28 o 33.92935 4.872771  262.5291       66.78065 281.5986       
99.47350 246.8828       90.10428 35.02943 7.011466 32.82927 6.768672 2.200169 
9.745542 
1 1 1 -7  -3  29 o 56.29853 3.265682  688.1147       76.75657 693.4346       
103.5357 681.6228       114.3718 56.64144 4.353883 55.95563 4.868514 0.6858063 
6.531364 
1 1 1 -7  -3  30 o 47.96319 3.722963  506.0780       74.02954 407.0043       
101.2444 619.9049       108.5211 42.76237 5.639368 53.16401 4.862030 -10.40164 
7.445925 
1 1 1 -7  -3  31 o 37.37610 4.841971  327.0148       74.21111 368.1708       
108.2918 290.5737       101.9002 40.03953 6.442106 34.71267 7.230355 5.326859 
9.683943 
1 1 1 -7  -3  32 o 34.54859 5.278059  296.8736       76.73602 397.2260       
109.2621 199.1983       107.7950 41.34764 6.294193 27.74953 8.474358 13.59811 
10.55612 
1 1 1 -7  -3  33 o 35.41856 5.239317  317.6597       76.96481 252.1107       
106.6922 388.7790       111.1330 30.71920 8.140366 40.11793 6.598200 -9.398726 
10.47863 
1 1 1 -7  -3  34 o 66.46442 4.030138  1035.157       111.2603 1216.026       
173.3440 908.4418       145.0907 71.15371 5.802731 61.77514 5.594317 9.378574 
8.060277 
1 1 1 -7  -2  1  o 27.60117 3.350840  163.3720       37.48587 200.9836       
54.14151 128.7406       51.95229 30.92877 4.169546 24.27357 5.246655 6.655201 
6.701679 
1 1 1 -7  -2  2  o 87.28127 2.447515  1588.725       87.87897 1655.996       
140.2558 1545.248       112.7562 88.78662 3.762654 85.77592 3.131095 3.010704 
4.895030 
1 1 1 -7  -2  3  o 30.68678 2.577041  194.6096       31.84544 208.9328       
54.04917 186.9933       39.41308 31.53500 4.082417 29.83857 3.146179 1.696426 
5.154083 
1 1 1 -7  -2  4  o 80.43956 1.981632  1404.549       64.41072 1153.374       
100.2578 1581.083       84.05123 74.10442 3.222517 86.77470 2.307130 -12.67028 
3.963264 
1 1 1 -7  -2  5  o 253.4330 2.328790  13505.29       241.9606 13560.54       
310.6985 13420.15       385.7068 254.1080 2.912339 252.7580 3.634741 1.349930 
4.657580 
1 1 1 -7  -2  6  o 340.8395 2.436834  23986.31       332.1146 23094.38       
407.7163 25745.22       572.5508 331.6125 2.928521 350.0666 3.895690 -18.45413 
4.873668 
1 1 1 -7  -2  7  o 177.5745 1.821685  6539.772       130.7708 6330.058       
162.9081 6919.758       219.2867 173.6287 2.234818 181.5202 2.877453 -7.891541 
3.643370 
1 1 1 -7  -2  8  o 413.1402 3.125289  35851.98       541.8719 35330.13       
753.8444 36409.88       779.4417 410.0350 4.379070 416.2454 4.460209 -6.210419 
6.250577 
1 1 1 -7  -2  9  o 216.8866 2.847339  9815.142       252.0655 9600.080       
319.2498 10171.14       410.7448 213.7755 3.557081 219.9977 4.447081 -6.222198 
5.694677 
1 1 1 -7  -2  10 o 273.9508 2.678459  15692.09       303.2256 15354.97       
393.3986 16185.54       475.9497 270.3621 3.465837 277.5396 4.084672 -7.177521 
5.356918 
1 1 1 -7  -2  11 o 307.1422 2.995489  19812.99       386.0933 19005.56       
539.2681 20662.15       553.0288 300.7231 4.271290 313.5612 4.200940 -12.83820 
5.990977 
1 1 1 -7  -2  12 o 301.5239 2.627901  19094.80       330.6950 19026.63       
443.7725 19179.93       495.9050 300.9343 3.512447 302.1135 3.909754 -1.179199 
5.255802 
1 1 1 -7  -2  13 o 127.1180 1.717792  3389.805       91.60833 3298.404       
126.6121 3490.223       132.7104 125.3223 2.406400 128.9138 2.452036 -3.591454 
3.435585 
1 1 1 -7  -2  14 o 295.8582 2.537877  18254.24       308.4059 17736.49       
394.4367 19068.69       494.7024 290.5352 3.233700 301.1811 3.912347 -10.64590 
5.075753 
1 1 1 -7  -2  15 f 92.15988 2.099635  1782.455       77.54857 1792.164       
131.0565 1777.224       96.19685 92.33927 3.380595 91.98048 2.491072 0.3587875 
4.199269 
1 1 1 -7  -2  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -2  17 o 168.2415 3.738909  5972.438       263.9794 6166.532       
373.0134 5777.698       373.6339 170.9946 5.195926 165.4884 5.377742 5.506287 
7.477818 
1 1 1 -7  -2  18 o 137.2477 5.457734  3979.444       314.4824 3979.444       
314.4824 0.000000       0.000000 137.2477 5.457734 ?        ?        ? ? 
1 1 1 -7  -2  19 o 124.4208 2.885766  3210.107       145.0646 3456.594       
244.4193 3076.065       180.2428 127.9838 4.548850 120.8577 3.552258 7.126053 
5.771532 
1 1 1 -7  -2  20 o 52.33688 3.176454  563.7609       68.91918 688.1522       
107.8099 477.7970       89.62347 57.09680 4.497467 47.57697 4.486896 9.519825 
6.352909 
1 1 1 -7  -2  21 o 247.8420 6.202884  13108.78       626.1819 13381.84       
1021.055 12944.17       792.7620 249.3063 9.755217 246.3776 7.664127 2.928741 
12.40577 
1 1 1 -7  -2  22 o 153.4024 3.623927  4971.437       221.5649 4995.646       
378.5720 4958.824       273.2528 153.5055 5.874158 153.2994 4.245661 0.2061005 
7.247853 
1 1 1 -7  -2  23 o 145.6188 3.091104  4452.787       187.6861 4716.999       
285.6046 4251.959       249.0010 149.3546 4.554782 141.8829 4.180151 7.471649 
6.182208 
1 1 1 -7  -2  24 o 74.85757 3.034872  1188.447       95.19112 1138.271       
137.0303 1235.242       132.3336 73.30378 4.452576 76.41137 4.125090 -3.107590 
6.069744 
1 1 1 -7  -2  25 o 71.14028 3.005723  1073.199       89.74652 1038.109       
126.1905 1109.114       127.6638 69.95585 4.296588 72.32471 4.204382 -2.368866 
6.011447 
1 1 1 -7  -2  26 o 92.35901 2.741533  1809.326       106.2946 1777.020       
149.3009 1842.532       151.3670 91.52098 3.885642 93.19704 3.868567 -1.676064 
5.483067 
1 1 1 -7  -2  27 o 108.4580 2.663749  2491.981       121.0076 2628.554       
178.7663 2376.483       164.3965 111.1678 3.830258 105.7483 3.702885 5.419464 
5.327498 
1 1 1 -7  -2  28 o 52.04473 3.700192  595.3135       79.31080 475.6767       
113.8359 708.1652       110.5607 46.70153 5.805893 57.38794 4.588821 -10.68640 
7.400383 
1 1 1 -7  -2  29 o 26.39420 5.839413  156.6463       73.64000 216.1721       
108.7693 106.2712       100.0603 30.09804 8.330587 22.69036 8.185126 7.407679 
11.67883 
1 1 1 -7  -2  30 o 22.38257 5.636105  101.3672       68.38390 153.0980       
100.5837 56.90416       93.25088 25.48991 8.249958 19.27523 7.681206 6.214678 
11.27221 
1 1 1 -7  -2  31 o 33.85527 4.854584  278.1558       67.39977 363.5093       
93.04128 183.9062       97.76977 40.34467 5.493011 27.36586 8.005920 12.97881 
9.709167 
1 1 1 -7  -2  32 o 40.71332 4.470864  386.6000       74.18703 336.0092       
103.5353 439.9828       106.3540 37.44912 6.839120 43.97751 5.760290 -6.528385 
8.941729 
1 1 1 -7  -2  33 o 38.30541 4.916939  395.0280       76.44715 142.0264       
110.4719 627.5141       105.8983 23.76662 8.597755 52.84420 4.773233 -29.07758 
9.833878 
1 1 1 -7  -2  34 o 22.25764 5.929451  126.8939       80.35189 182.5980       
106.7107 53.95369       122.1090 25.41675 8.500038 19.09852 8.269397 6.318228 
11.85890 
1 1 1 -7  -1  1  f 34.94264 2.849042  256.4081       41.74969 240.1022       
58.37679 273.4801       59.73253 33.80536 4.113160 36.07992 3.943360 -2.274559 
5.698085 
1 1 1 -7  -1  2  o 145.0916 1.949675  4361.850       107.5330 4559.411       
202.6160 4284.383       126.8758 147.3365 3.275551 142.8466 2.115583 4.489960 
3.899349 
1 1 1 -7  -1  3  o 96.17490 1.908481  1982.990       74.34093 1774.647       
118.6410 2117.674       95.38989 91.92339 3.074183 100.4264 2.262432 -8.503021 
3.816962 
1 1 1 -7  -1  4  o 226.0230 1.856727  10698.33       175.7782 10324.07       
239.0168 11139.17       259.4095 221.7314 2.567570 230.3145 2.682783 -8.583145 
3.713454 
1 1 1 -7  -1  5  o 124.3788 1.424418  3227.981       73.99363 3063.646       
98.78787 3438.007       111.6796 120.7959 1.947927 127.9618 2.078810 -7.165886 
2.848837 
1 1 1 -7  -1  6  o 170.0412 1.664003  6082.329       118.5443 6291.803       
164.2831 5854.773       171.2265 173.1031 2.260523 166.9793 2.442471 6.123810 
3.328006 
1 1 1 -7  -1  7  o 416.4665 3.843107  36414.39       659.4599 36198.90       
853.0331 36734.47       1039.645 414.9988 4.895985 417.9341 5.925134 -2.935272 
7.686213 
1 1 1 -7  -1  8  o 416.4942 3.485872  36515.23       605.8372 35959.86       
904.4651 36967.19       815.9258 413.5857 5.208916 419.4028 4.633834 -5.817078 
6.971745 
1 1 1 -7  -1  9  o 284.8589 3.100166  16647.57       329.2156 16194.88       
382.8796 17931.52       644.8105 277.6730 3.284351 292.0447 5.259008 -14.37167 
6.200333 
1 1 1 -7  -1  10 o 127.0125 1.847292  3372.446       97.13896 3477.924       
151.5017 3298.813       126.5826 128.6875 2.804157 125.3376 2.405548 3.349876 
3.694585 
1 1 1 -7  -1  11 o 294.0416 2.236034  18049.48       267.6971 17715.96       
337.9553 18611.16       438.5740 290.4390 2.771567 297.6441 3.509673 -7.205048 
4.472068 
1 1 1 -7  -1  12 o 174.4656 1.995918  6393.301       145.9291 6399.270       
200.4745 6386.574       212.8289 174.5551 2.735570 174.3762 2.907131 0.1788788 
3.991836 
1 1 1 -7  -1  13 o 108.1223 1.826800  2448.612       82.25843 2506.406       
125.1425 2404.644       109.1520 109.2395 2.728640 107.0051 2.429675 2.234375 
3.653600 
1 1 1 -7  -1  14 o 343.0887 4.964723  24828.70       678.0212 24776.72       
1159.880 24855.67       835.6711 342.5799 8.064400 343.5974 5.793042 -1.017456 
9.929445 
1 1 1 -7  -1  15 o 53.92921 2.878242  609.5235       64.08439 600.5231       
83.08790 622.7397       100.6839 53.44754 3.702808 54.41089 4.407530 
-0.9633522     5.756484 
1 1 1 -7  -1  16 o 190.0073 4.510137  7665.685       285.7316 7540.017       
641.6266 7696.771       319.1214 188.7264 8.097869 191.2881 3.973644 -2.561722 
9.020273 
1 1 1 -7  -1  17 o 142.0343 2.443419  4248.970       144.3803 4197.154       
218.7576 4288.960       192.1831 141.2470 3.688969 142.8216 3.205106 -1.574570 
4.886839 
1 1 1 -7  -1  18 o 101.7189 3.056848  2162.254       129.7973 2022.964       
172.7012 2343.069       196.7663 97.99580 4.197677 105.4420 4.444861 -7.446220 
6.113696 
1 1 1 -7  -1  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  -1  20 o 96.24709 2.854256  1950.667       114.3738 1972.829       
173.7417 1933.718       151.9397 96.70248 4.279446 95.79169 3.778023 0.9107895 
5.708512 
1 1 1 -7  -1  21 o 129.9238 3.127272  3525.779       168.1574 3771.716       
264.3960 3358.721       217.9096 133.6435 4.712248 126.2042 4.112669 7.439331 
6.254544 
1 1 1 -7  -1  22 o 218.1751 5.351747  10014.22       463.3972 10572.03       
807.5190 9740.331       565.8373 222.1159 8.659526 214.2343 6.291057 7.881607 
10.70349 
1 1 1 -7  -1  23 o 63.97062 3.094288  866.5405       82.82045 787.3527       
117.4385 944.8904       116.8156 61.03669 4.582902 66.90455 4.158783 -5.867863 
6.188576 
1 1 1 -7  -1  24 f 180.8277 3.846119  6949.318       291.8199 6950.606       
405.9091 6947.940       419.8345 180.8831 5.345051 180.7722 5.531813 0.1108551 
7.692238 
1 1 1 -7  -1  25 o 44.81573 4.055524  433.5119       74.85408 336.5738       
105.3787 532.2403       106.3473 39.61951 6.335263 50.01195 5.064933 -10.39244 
8.111049 
1 1 1 -7  -1  26 o 23.14155 5.572615  97.21853       68.29945 36.99436       
92.74671 168.5735       100.9544 18.77966 7.589605 27.50344 8.161744 -8.723783 
11.14523 
1 1 1 -7  -1  27 o 96.02736 3.044894  1964.142       122.7212 1916.797       
171.0912 2014.315       176.1262 94.83919 4.296957 97.21552 4.315284 -2.376335 
6.089787 
1 1 1 -7  -1  28 o 40.20196 4.276542  358.6210       69.64962 418.9272       
98.82834 299.1110       98.17379 44.01079 5.348640 36.39313 6.674376 7.617657 
8.553084 
1 1 1 -7  -1  29 o 96.63560 2.982504  2007.467       120.9560 1965.895       
172.1772 2047.975       169.9595 95.60922 4.289404 97.66199 4.145157 -2.052765 
5.965008 
1 1 1 -7  -1  30 o 46.56198 4.042516  479.6864       78.97659 498.6836       
111.8040 460.7667       111.5759 47.52925 5.602959 45.59470 5.828772 1.934547 
8.085032 
1 1 1 -7  -1  31 o 19.99015 5.454897  72.37572       65.08229 89.59705       
92.77646 55.69037       91.32130 21.01116 7.839919 18.96915 7.586784 2.042006 
10.90979 
1 1 1 -7  -1  32 o 31.52902 5.448864  246.3904       71.53136 235.8844       
103.7759 255.9003       98.73357 30.71649 7.977430 32.34155 7.424356 -1.625057 
10.89773 
1 1 1 -7  -1  33 o 32.84299 5.609190  278.4203       76.79847 310.9069       
104.3721 240.0648       113.4087 35.47670 7.257945 30.20928 8.554196 5.267424 
11.21838 
1 1 1 -7  -1  34 o 46.58190 4.326398  520.5082       84.21819 504.3955       
123.5047 534.5121       115.1398 45.58368 6.453497 47.58012 5.763961 -1.996437 
8.652796 
1 1 1 -7  0   1  o 221.1915 2.024319  10272.51       187.5754 10307.17       
274.7212 10242.24       256.7345 221.5380 2.953691 220.8451 2.768966 0.6928864 
4.048637 
1 1 1 -7  0   2  o 151.3322 2.060156  4856.401       129.0202 4493.417       
195.5308 5136.317       171.7063 146.2685 3.184090 156.3959 2.615062 -10.12732 
4.120313 
1 1 1 -7  0   3  o 135.3796 2.039099  3909.103       113.2056 3533.677       
175.3060 4177.638       148.2641 129.7099 3.219174 141.0493 2.503721 -11.33936 
4.078198 
1 1 1 -7  0   4  o 134.1525 1.570597  3782.219       88.34014 3703.666       
127.5013 3854.745       122.5117 132.8106 2.286666 135.4944 2.153661 -2.683792 
3.141194 
1 1 1 -7  0   5  o 264.7584 2.724295  14739.69       302.0248 14928.09       
413.9122 14525.14       441.6953 266.5776 3.698331 262.9392 4.001184 3.638397 
5.448589 
1 1 1 -7  0   6  o 56.79750 1.734390  672.4604       41.20552 749.3655       
61.29894 609.0633       55.65576 59.73853 2.444103 53.85647 2.461463 5.882057 
3.468781 
1 1 1 -7  0   7  o 141.4828 1.810626  4203.262       107.5319 4192.894       
150.6044 4214.044       153.5857 141.3053 2.538635 141.6604 2.582400 
-0.3551178     3.621251 
1 1 1 -7  0   8  o 160.2692 1.832009  5174.982       112.5105 4884.731       
132.4191 5928.475       213.3551 152.5267 2.067882 168.0118 3.024714 -15.48515 
3.664019 
1 1 1 -7  0   9  o 231.3321 2.048079  11160.76       172.4520 11083.17       
198.9044 11395.68       346.0865 229.7505 2.062097 232.9137 3.539246 -3.163239 
4.096158 
1 1 1 -7  0   10 o 378.2479 4.338833  30020.16       684.1207 29466.34       
910.8043 30737.10       1036.281 374.2995 5.795980 382.1962 6.458212 -7.896698 
8.677667 
1 1 1 -7  0   11 o 330.8142 3.761419  23082.70       500.9351 22763.38       
834.0044 23262.91       626.5442 328.9368 6.039165 332.6916 4.485708 -3.754761 
7.522838 
1 1 1 -7  0   12 o 461.3832 6.561020  44910.13       1270.497 43851.95       
1769.834 46035.24       1824.942 455.7874 9.248924 466.9791 9.308347 -11.19174 
13.12204 
1 1 1 -7  0   13 o 371.9187 3.239385  29335.48       491.9381 27943.52       
783.7580 30240.35       631.9189 364.5044 5.121538 379.3331 3.967909 -14.82874 
6.478769 
1 1 1 -7  0   14 o 319.9702 4.742234  21127.37       468.6822 22237.40       
1180.387 20919.62       510.6620 324.4533 8.665493 315.4870 3.855433 8.966339 
9.484468 
1 1 1 -7  0   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  0   16 o 76.33180 2.219470  1226.767       70.18864 1210.691       
108.0502 1238.503       92.31918 75.89075 3.391234 76.77286 2.864213 
-0.8821030     4.438940 
1 1 1 -7  0   17 o 156.7212 2.810197  5182.164       183.4489 5050.491       
275.4122 5287.174       245.9519 154.9016 4.234950 158.5407 3.695136 -3.639099 
5.620394 
1 1 1 -7  0   18 o 144.8356 2.777053  4430.259       166.0416 4337.481       
258.1663 4495.712       216.8397 143.4984 4.285224 146.1728 3.533405 -2.674362 
5.554107 
1 1 1 -7  0   19 f 119.8583 2.768692  2928.372       108.4866 3184.518       
256.3184 2872.472       119.7407 122.8189 4.970909 116.8977 2.439815 5.921165 
5.537385 
1 1 1 -7  0   20 o 191.2766 5.733479  7747.580       460.4250 0.000000       
0.000000 7747.580       460.4250 ?        ?        191.2766 5.733479 ? ? 
1 1 1 -7  0   21 o 47.66354 3.495285  485.7664       69.05608 431.5143       
102.3252 531.1414       93.57985 45.16033 5.396926 50.16676 4.443113 -5.006428 
6.990570 
1 1 1 -7  0   22 o 102.7648 3.147210  2212.789       133.5834 2316.052       
210.6466 2143.325       172.7663 104.7120 4.791583 100.8177 4.081722 3.894302 
6.294420 
1 1 1 -7  0   23 o 103.7122 2.826322  2269.752       122.9947 2184.114       
174.0441 2355.189       173.8376 101.7474 4.074338 105.6769 3.918181 -3.929550 
5.652643 
1 1 1 -7  0   24 o 62.71084 3.220010  836.7985       84.10020 954.5331       
118.6822 718.0531       119.1907 67.20290 4.206479 58.21878 4.876410 8.984116 
6.440019 
1 1 1 -7  0   25 o 42.50230 4.287293  388.3978       75.81697 330.1616       
107.3482 446.3598       107.0951 39.24545 6.515179 45.75916 5.574584 -6.513714 
8.574587 
1 1 1 -7  0   26 o 107.8676 3.183867  2459.343       143.7856 2708.136       
212.1698 2248.034       195.5346 112.8930 4.476489 102.8423 4.528694 10.05076 
6.367733 
1 1 1 -7  0   27 o 34.47499 4.872335  264.4372       69.16698 217.3254       
97.37479 312.4145       98.26505 30.91548 7.555761 38.03450 6.153786 -7.119019 
9.744671 
1 1 1 -7  0   28 o 69.83547 2.990590  1040.267       87.57158 969.5529       
121.6397 1116.351       126.1746 67.35437 4.301606 72.31657 4.155804 -4.962204 
5.981181 
1 1 1 -7  0   29 o 71.89451 2.958698  1095.211       88.76414 1258.156       
134.1813 968.4164       118.3642 76.59646 4.172576 67.19256 4.195852 9.403900 
5.917395 
1 1 1 -7  0   30 o 23.13255 5.282771  106.8054       67.41086 2.366148       
97.76022 201.4814       93.07869 17.08088 7.397506 29.18422 7.543712 -12.10334 
10.56554 
1 1 1 -7  0   31 o 29.58399 5.665623  212.7163       72.43655 187.3994       
101.8351 238.6446       103.0573 27.78226 8.184431 31.38572 7.836595 -3.603464 
11.33125 
1 1 1 -7  0   32 o 39.16719 4.835154  355.9442       77.16740 428.4809       
115.0210 296.5710       104.0624 43.28241 6.329755 35.05197 7.310885 8.230442 
9.670307 
1 1 1 -7  0   33 o 37.55700 4.887226  334.0811       75.20763 296.5354       
101.0198 380.7671       112.6470 34.83477 7.153101 40.27922 6.661308 -5.444447 
9.774451 
1 1 1 -7  0   34 o 24.52122 6.297276  150.2498       86.13113 223.0190       
127.9656 89.97663       116.4612 28.12179 9.308152 20.92064 8.484164 7.201147 
12.59455 
1 1 1 -7  0   35 o 29.64565 6.464036  262.6204       87.87801 266.3557       
136.4589 259.9736       114.8680 29.28344 9.612090 30.00787 8.645389 
-0.7244339     12.92807 
1 1 1 -7  1   1  o 97.80931 2.065003  1924.039       81.90888 1705.826       
101.2556 2337.177       139.3240 90.12868 2.675944 105.4899 3.145834 -15.36126 
4.130006 
1 1 1 -7  1   2  o 82.00978 2.090998  1462.074       68.04061 1247.625       
112.0088 1587.483       85.65549 77.06976 3.461698 86.94981 2.346430 -9.880043 
4.181996 
1 1 1 -7  1   3  o 206.7080 1.926780  8986.909       166.9015 8684.288       
240.9396 9266.080       231.4169 203.3544 2.822121 210.0616 2.624035 -6.707153 
3.853560 
1 1 1 -7  1   4  o 172.3886 1.535891  6189.915       108.9217 6000.714       
139.6671 6483.604       174.0115 169.0572 1.967803 175.7201 2.358727 -6.662918 
3.071782 
1 1 1 -7  1   5  o 392.7203 3.637772  32434.21       599.3136 32821.51       
834.0750 32020.83       861.7155 395.1572 5.027548 390.2834 5.259020 4.873810 
7.275543 
1 1 1 -7  1   6  f 291.7689 2.662986  17900.56       325.2504 17646.63       
476.7440 18121.67       444.8567 289.8223 3.918091 293.7154 3.607568 -3.893066 
5.325972 
1 1 1 -7  1   7  f 202.0933 2.459089  8579.668       208.4788 8137.396       
293.1854 9032.026       296.5099 196.8219 3.548052 207.3647 3.405849 -10.54272 
4.918179 
1 1 1 -7  1   8  o 211.7451 2.491607  9454.879       215.0984 9262.255       
346.7657 9575.347       274.2322 209.9679 3.933728 213.5223 3.059118 -3.554443 
4.983214 
1 1 1 -7  1   9  o 199.9738 2.108330  8431.587       173.9870 8214.492       
270.5012 8584.777       227.2272 197.7601 3.258004 202.1874 2.676870 -4.427322 
4.216660 
1 1 1 -7  1   10 o 198.0754 2.880178  8189.149       237.9091 7803.363       
315.7038 8696.152       361.9200 192.7202 3.901877 203.4305 4.237577 -10.71027 
5.760356 
1 1 1 -7  1   11 o 452.3615 4.321712  43154.64       817.6540 41722.33       
1198.163 44403.06       1118.607 445.2690 6.409359 459.4540 5.799044 -14.18497 
8.643425 
1 1 1 -7  1   12 f 333.3436 3.611650  23361.89       504.9655 23428.99       
730.7592 23300.57       698.5850 333.7899 5.214614 332.8974 4.998387 0.8924866 
7.223301 
1 1 1 -7  1   13 o 251.0981 3.217640  12969.83       294.1956 13828.96       
596.1128 12693.19       338.2599 256.3884 5.537976 245.8077 3.277752 10.58070 
6.435281 
1 1 1 -7  1   14 o 153.2464 5.524476  4942.087       355.4351 4942.087       
355.4351 0.000000       0.000000 153.2464 5.524476 ?        ?        ? ? 
1 1 1 -7  1   15 o 178.1832 2.484228  6671.182       172.1145 6676.475       
308.4350 6668.789       207.4108 178.1947 4.122778 178.1717 2.772770 
0.2301025E-01  4.968456 
1 1 1 -7  1   16 o 183.3372 2.709361  7044.502       180.9570 7114.967       
361.6348 7020.966       209.0050 183.8697 4.684693 182.8047 2.723268 1.064972 
5.418721 
1 1 1 -7  1   17 o 124.4326 2.472686  3290.002       123.0275 3141.974       
206.1312 3371.910       153.3321 122.2008 4.017823 126.6644 2.883366 -4.463554 
4.945372 
1 1 1 -7  1   18 o 115.4380 2.446342  2819.036       113.9307 2745.779       
188.1365 2861.458       143.1672 114.2119 3.923583 116.6642 2.922987 -2.452347 
4.892684 
1 1 1 -7  1   19 o 93.80415 2.180984  1881.920       84.34671 1637.877       
126.5509 2076.984       113.1410 88.21854 3.416853 99.38977 2.711436 -11.17123 
4.361969 
1 1 1 -7  1   20 o 121.2942 2.221858  3105.028       106.5482 3070.078       
184.3985 3122.545       130.5469 120.7276 3.638077 121.8607 2.551666 -1.133118 
4.443715 
1 1 1 -7  1   21 o 49.86338 3.439569  540.9202       69.67790 400.5337       
101.3552 666.7222       95.94602 43.49734 5.550145 56.22941 4.064288 -12.73206 
6.879138 
1 1 1 -7  1   22 o 69.62710 4.645111  1023.595       135.7855 1023.595       
135.7855 0.000000       0.000000 69.62710 4.645111 ?        ?        ? ? 
1 1 1 -7  1   23 o 188.4615 3.628798  7515.728       286.8629 7126.928       
404.5457 7908.938       406.8347 183.5238 5.250446 193.3992 5.010539 -9.875366 
7.257595 
1 1 1 -7  1   24 o 81.21870 2.997786  1392.462       102.1355 1314.976       
142.3384 1474.703       146.6404 78.88439 4.297857 83.55302 4.180348 -4.668633 
5.995573 
1 1 1 -7  1   25 o 140.4236 3.178007  4187.753       186.3397 4080.479       
276.3266 4277.219       252.3508 138.6953 4.745502 142.1518 4.228372 -3.456589 
6.356014 
1 1 1 -7  1   26 o 107.8207 3.228239  2460.599       145.6879 2360.194       
197.0358 2581.697       216.3890 105.4347 4.451257 110.2066 4.676797 -4.771919 
6.456479 
1 1 1 -7  1   27 o 93.44441 3.053832  1810.226       117.8415 1610.880       
150.9170 2121.638       188.6261 87.07335 4.128326 99.81547 4.501165 -12.74212 
6.107665 
1 1 1 -7  1   28 o 52.01134 3.608132  581.4866       78.12702 487.6727       
108.4030 682.8831       112.6988 47.56506 5.428431 56.45763 4.754640 -8.892570 
7.216264 
1 1 1 -7  1   29 o 64.70055 3.272739  898.1487       88.56802 1011.734       
128.6722 795.8791       122.0946 68.63170 4.465614 60.76939 4.785559 7.862305 
6.545478 
1 1 1 -7  1   30 o 45.29752 3.924990  452.8806       74.02498 395.9425       
106.0499 506.9832       103.3756 42.35268 5.964176 48.24236 5.103998 -5.889683 
7.849980 
1 1 1 -7  1   31 o 24.87401 5.785551  137.8653       71.90452 197.0861       
106.0638 87.49962       97.81323 28.50755 8.338162 21.24047 8.022807 7.267082 
11.57110 
1 1 1 -7  1   32 o 31.54638 5.702609  248.8655       77.41264 184.9404       
111.6014 308.1469       107.4714 27.30635 8.675324 35.78642 7.403901 -8.480064 
11.40522 
1 1 1 -7  1   33 o 30.44476 5.618604  238.1132       75.84678 312.3648       
104.3522 154.9561       110.4330 35.86037 7.184686 25.02915 8.640320 10.83122 
11.23721 
1 1 1 -7  1   34 o 33.72758 5.858531  296.9661       82.16856 318.1046       
122.6445 279.7501       110.6819 34.67861 8.482274 32.77657 8.083350 1.902042 
11.71706 
1 1 1 -7  1   35 o 58.37616 4.156229  802.6385       99.35957 881.9028       
161.4952 754.3597       126.0374 59.96463 6.414836 56.78768 5.286479 3.176956 
8.312459 
1 1 1 -7  2   1  o 190.6975 3.228997  7643.243       257.3443 7628.331       
382.4079 7655.585       347.9126 190.5176 4.780933 190.8773 4.341470 
-0.3597107     6.457994 
1 1 1 -7  2   2  o 225.4919 2.705243  10721.61       252.6465 10428.82       
387.8257 10937.47       333.0005 222.7927 4.146262 228.1912 3.475898 -5.398529 
5.410486 
1 1 1 -7  2   3  o 103.3865 1.863888  2266.735       78.41764 2151.147       
125.9217 2339.960       100.2243 101.2074 2.963531 105.5656 2.261370 -4.358223 
3.727776 
1 1 1 -7  2   4  o 185.8495 1.837597  7189.007       141.9301 6831.746       
185.9938 7687.067       219.6068 180.3739 2.456100 191.3251 2.733977 -10.95120 
3.675195 
1 1 1 -7  2   5  o 21.66758 3.282950  98.95840       29.65667 71.15824       
39.87007 133.3910       44.37192 18.13867 5.051384 25.19649 4.194587 -7.057823 
6.565900 
1 1 1 -7  2   6  o 276.9754 3.573693  15825.21       401.2554 15034.34       
500.0504 17255.21       672.4052 267.4803 4.452900 286.4704 5.590778 -18.99008 
7.147386 
1 1 1 -7  2   7  o 465.6252 4.738883  45635.35       915.9594 45722.79       
1208.817 45517.46       1403.628 466.2327 6.175596 465.0177 7.189580 1.214935 
9.477766 
1 1 1 -7  2   8  o 443.2467 4.704430  41410.43       866.1877 40848.64       
1320.008 41835.26       1147.895 440.5224 7.137228 445.9709 6.130792 -5.448547 
9.408860 
1 1 1 -7  2   9  o 490.8616 4.480041  50143.66       815.6139 51860.30       
1594.838 49535.68       949.1193 496.2395 7.655018 485.4837 4.656582 10.75577 
8.960081 
1 1 1 -7  2   10 o 249.6136 2.286453  13083.05       239.5624 12895.27       
334.6406 13280.45       343.1026 247.7777 3.216899 251.4495 3.250082 -3.671829 
4.572906 
1 1 1 -7  2   11 o 449.5703 3.272524  41982.17       588.9194 40874.86       
725.5587 44120.38       1008.240 441.0657 3.918234 458.0749 5.242623 -17.00919 
6.545048 
1 1 1 -7  2   12 o 356.9982 2.970847  26758.31       444.6383 26333.23       
610.6475 27238.03       648.7035 353.9919 4.108831 360.0045 4.291997 -6.012512 
5.941695 
1 1 1 -7  2   13 o 367.2245 6.714602  28435.90       1030.043 27990.45       
1384.189 28988.69       1541.949 364.1122 9.054852 370.3369 9.917316 -6.224640 
13.42920 
1 1 1 -7  2   14 o 97.06788 2.719438  1951.766       106.4374 2080.732       
179.8380 1882.234       132.0485 99.48583 4.305676 94.64993 3.323031 4.835907 
5.438877 
1 1 1 -7  2   15 o 381.1831 6.425241  30635.69       984.3676 31090.96       
1655.882 30386.86       1224.155 382.9485 10.29936 379.4177 7.684932 3.530792 
12.85048 
1 1 1 -7  2   16 o 208.2277 3.034247  9001.134       224.7974 9346.648       
468.2704 8897.662       256.2565 210.6777 5.294185 205.7777 2.966181 4.900055 
6.068494 
1 1 1 -7  2   17 f 228.6357 3.359467  10761.49       255.9380 11415.79       
586.3577 10607.49       284.4671 232.6203 6.003937 224.6511 3.016091 7.969147 
6.718934 
1 1 1 -7  2   18 o 79.17204 2.076435  1297.210       67.08085 1402.966       
110.3639 1235.249       84.47633 81.67937 3.218368 76.66472 2.624584 5.014648 
4.152871 
1 1 1 -7  2   19 o 115.3885 2.277429  2793.417       108.5872 2843.872       
169.9822 2758.632       141.1397 116.2449 3.482975 114.5320 2.935238 1.712891 
4.554858 
1 1 1 -7  2   20 o 120.3749 2.263801  3034.771       110.5191 3106.500       
182.5016 2993.234       138.8805 121.4538 3.579123 119.2959 2.772917 2.157936 
4.527603 
1 1 1 -7  2   21 o 70.94923 2.326428  1065.140       67.79839 1033.392       
106.7826 1086.582       87.75601 70.03604 3.631618 71.86243 2.908681 -1.826385 
4.652856 
1 1 1 -7  2   22 o 134.2990 2.788327  3829.736       154.6039 3638.307       
238.1870 3969.105       203.2350 131.3217 4.320189 137.2764 3.526336 -5.954697 
5.576655 
1 1 1 -7  2   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  2   24 o 110.7872 2.941875  2591.769       136.8178 2639.124       
193.6132 2544.534       193.3663 111.8036 4.124775 109.7708 4.195802 2.032814 
5.883751 
1 1 1 -7  2   25 o 67.09370 3.126747  952.7375       88.04349 964.9696       
126.5214 941.2527       122.5960 67.50562 4.464216 66.68180 4.379150 0.8238144 
6.253493 
1 1 1 -7  2   26 o 48.38210 3.663155  498.9879       74.15433 447.5535       
103.8742 552.4432       105.8951 45.80704 5.401278 50.95714 4.949849 -5.150097 
7.326309 
1 1 1 -7  2   27 o 87.77914 3.001925  1620.339       109.4401 1529.894       
143.0340 1748.059       169.9720 84.91096 4.012331 90.64731 4.466254 -5.736343 
6.003850 
1 1 1 -7  2   28 o 59.78477 3.395710  773.5400       84.15284 887.2687       
116.9617 651.4800       121.1700 64.50209 4.319077 55.06745 5.241085 9.434639 
6.791421 
1 1 1 -7  2   29 o 17.69901 5.344282  8.000775       70.34935 -1.479934      
98.40836 17.90966       100.6060 17.18680 7.432388 18.21122 7.681471 -1.024416 
10.68856 
1 1 1 -7  2   30 o 49.65528 3.735868  537.7818       77.57137 598.5160       
110.7774 479.3491       108.6583 52.49519 5.026350 46.81536 5.528349 5.679832 
7.471736 
1 1 1 -7  2   31 o 24.82598 4.928719  114.5003       70.72577 -61.74534      
101.5480 280.5320       98.56156 15.00988 6.918434 34.64208 7.021706 -19.63220 
9.857437 
1 1 1 -7  2   32 o 27.72587 5.810143  187.9835       72.38397 203.0103       
105.9192 174.8163       99.14870 28.67689 8.314778 26.77485 8.117603 1.902037 
11.62029 
1 1 1 -7  2   33 o 46.11101 4.533595  482.1261       83.25542 518.0632       
143.6713 463.9571       102.1561 46.75202 7.319656 45.46999 5.351313 1.282024 
9.067189 
1 1 1 -7  2   34 o 43.86212 5.074388  479.2346       88.04159 376.2744       
130.4633 565.3332       119.3030 38.13636 8.376057 49.58788 5.730559 -11.45152 
10.14878 
1 1 1 -7  2   35 o 56.17823 4.386508  773.5764       100.6002 653.1182       
150.8726 870.0065       134.9891 51.14004 7.027007 61.21642 5.252329 -10.07637 
8.773015 
1 1 1 -7  3   1  o 29.16225 3.190568  160.5013       35.91760 274.2610       
63.75952 107.6192       43.47154 36.12930 4.203456 22.19521 4.801025 13.93409 
6.381135 
1 1 1 -7  3   2  o 382.4875 5.879769  30934.38       886.2476 30485.90       
1542.136 31155.53       1082.939 380.1714 9.661940 384.8037 6.703258 -4.632233 
11.75954 
1 1 1 -7  3   3  o 278.8735 3.387814  16703.40       358.8633 15492.96       
656.6243 17218.94       428.5235 271.4374 5.761935 286.3096 3.565003 -14.87219 
6.775629 
1 1 1 -7  3   4  o 108.4069 1.610461  2461.277       73.11344 2553.135       
108.0071 2383.581       99.33273 110.2684 2.333041 106.5454 2.220642 3.722961 
3.220921 
1 1 1 -7  3   5  o 239.4470 2.416128  11956.59       240.9117 11409.82       
317.9922 12693.21       369.0910 233.0746 3.249695 245.8194 3.576336 -12.74478 
4.832256 
1 1 1 -7  3   6  o 182.2503 1.713085  6788.185       122.5095 6474.236       
147.2675 7493.649       220.7578 175.5999 1.997579 188.9007 2.783579 -13.30084 
3.426169 
1 1 1 -7  3   7  o 388.5021 3.205200  31706.49       519.9277 31605.41       
699.1085 31831.60       777.7384 387.8313 4.293612 389.1729 4.760056 -1.341522 
6.410400 
1 1 1 -7  3   8  o 328.5116 3.366471  22678.65       463.3607 22736.13       
677.6531 22628.17       635.0059 328.8899 4.907700 328.1332 4.609444 0.7566528 
6.732941 
1 1 1 -7  3   9  o 291.4119 2.398183  17777.34       286.2000 17568.20       
365.3706 18109.43       460.4055 289.2212 3.009017 293.6025 3.735096 -4.381378 
4.796365 
1 1 1 -7  3   10 o 269.2098 2.191782  15087.18       232.8811 15614.83       
409.0516 14834.14       283.2702 272.6372 3.573667 265.7825 2.538608 6.854706 
4.383563 
1 1 1 -7  3   11 o 222.6341 2.916439  10369.08       270.8370 10030.95       
360.5091 10807.18       410.3570 218.4965 3.930003 226.7716 4.310168 -8.275116 
5.832879 
1 1 1 -7  3   12 o 307.0385 5.042223  19772.38       587.6240 20044.87       
1101.390 19663.96       694.7706 308.3002 8.509190 305.7768 5.412002 2.523407 
10.08445 
1 1 1 -7  3   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  3   14 o 176.2636 2.597736  6519.081       184.5587 6563.939       
308.0491 6493.964       230.5086 176.7097 4.152224 175.8175 3.122813 0.8921509 
5.195472 
1 1 1 -7  3   15 o 55.87757 2.530379  646.4050       58.74740 723.5810       
91.42461 592.1268       76.67165 58.67348 3.711439 53.08167 3.440419 5.591805 
5.060757 
1 1 1 -7  3   16 o 271.0197 4.581625  15523.30       502.4515 15366.05       
827.2372 15615.22       632.4858 269.7600 7.304215 272.2794 5.532955 -2.519348 
9.163250 
1 1 1 -7  3   17 o 116.2260 2.060918  2742.985       94.65084 3119.821       
169.2074 2571.374       114.1867 121.8201 3.308428 110.6319 2.458420 11.18813 
4.121835 
1 1 1 -7  3   18 o 120.3256 2.501091  3057.420       125.0728 2957.492       
189.1700 3135.030       166.7105 118.5526 3.800688 122.0986 3.252169 -3.546066 
5.002182 
1 1 1 -7  3   19 o 175.1345 2.590980  6503.896       167.1261 6357.081       
325.7101 6556.364       194.7128 173.6657 4.467229 176.6033 2.626133 -2.937668 
5.181960 
1 1 1 -7  3   20 o 77.32666 2.216738  1202.039       69.65240 1483.966       
117.9723 1051.172       86.29948 83.96303 3.346671 70.69030 2.907833 13.27273 
4.433475 
1 1 1 -7  3   21 o 65.43819 2.376781  883.6936       63.51791 977.3414       
104.6740 829.1114       79.91261 68.10877 3.660640 62.76762 3.032499 5.341152 
4.753561 
1 1 1 -7  3   22 o 307.8878 5.107437  20204.81       650.9290 20019.86       
1005.503 20338.23       854.0370 306.3065 7.818947 309.4690 6.573256 -3.162567 
10.21487 
1 1 1 -7  3   23 o 104.9898 2.698756  2236.002       105.8159 2515.207       
208.5866 2139.248       122.7891 109.1476 4.551908 100.8320 2.900564 8.315590 
5.397512 
1 1 1 -7  3   24 o 77.95324 3.931886  1281.990       128.6809 0.000000       
0.000000 1281.990       128.6809 ?        ?        77.95324 3.931886 ? ? 
1 1 1 -7  3   25 o 55.07593 3.520454  643.0840       81.38185 663.4713       
116.3261 623.5399       113.8951 55.93337 4.953671 54.21849 5.003552 1.714878 
7.040909 
1 1 1 -7  3   26 o 76.78220 3.018671  1248.127       97.23874 1285.254       
140.8362 1214.307       134.4207 77.86535 4.308154 75.69905 4.229575 2.166298 
6.037342 
1 1 1 -7  3   27 o 99.97839 3.130525  2123.845       131.3549 2045.654       
183.8472 2205.384       187.7417 98.08892 4.464349 101.8679 4.389799 -3.778938 
6.261050 
1 1 1 -7  3   28 o 52.08112 3.589961  581.0622       78.47707 599.2315       
112.0412 563.5633       109.9549 52.88655 5.046072 51.27570 5.107685 1.610851 
7.179922 
1 1 1 -7  3   29 o 68.84408 3.180075  1008.736       91.59221 914.7110       
123.8859 1122.091       136.0254 65.32397 4.517212 72.36419 4.477311 -7.040222 
6.360150 
1 1 1 -7  3   30 o 51.91296 3.626237  583.4001       78.68343 511.8009       
108.4345 663.0262       114.3514 48.49052 5.326376 55.33539 4.922204 -6.844868 
7.252474 
1 1 1 -7  3   31 o 97.62209 2.993572  2047.864       122.3850 2222.438       
180.7582 1900.097       166.3014 101.4374 4.244444 93.80673 4.222629 7.630707 
5.987144 
1 1 1 -7  3   32 o 17.72990 5.316054  9.492309       71.90773 -53.55759      
103.8863 67.48492       99.63280 15.36531 7.047254 20.09450 7.961025 -4.729190 
10.63211 
1 1 1 -7  3   33 o 39.29605 5.170674  368.8220       82.41219 366.1830       
126.3279 370.7772       108.7371 38.45028 8.081692 40.14182 6.452111 -1.691544 
10.34135 
1 1 1 -7  3   34 o 37.12305 5.270345  342.5118       79.32353 310.1650       
122.4305 365.9145       104.1374 34.57426 8.486098 39.67185 6.252380 -5.097591 
10.54069 
1 1 1 -7  3   35 o 57.28864 4.000211  773.5401       94.78089 642.5345       
135.0970 900.5259       133.0082 51.87589 6.202992 62.70140 5.052686 -10.82552 
8.000422 
1 1 1 -7  3   36 o 61.02000 4.019120  889.2185       102.4504 897.6681       
152.5389 882.2746       138.2815 60.90674 5.965353 61.13327 5.387752 
-0.2265244     8.038240 
1 1 1 -7  4   1  o 194.0257 3.482384  7967.706       261.5039 7769.275       
469.4435 8056.982       314.8835 192.2137 5.817279 195.8377 3.829786 -3.623993 
6.964768 
1 1 1 -7  4   2  o 196.7163 2.926808  8165.479       240.5678 7664.903       
350.8303 8609.738       330.5070 190.9910 4.375273 202.4417 3.888676 -11.45065 
5.853616 
1 1 1 -7  4   3  o 252.7413 2.656279  13362.02       279.4092 13006.54       
369.2966 13837.96       427.3097 248.8371 3.534933 256.6455 3.965793 -7.808411 
5.312558 
1 1 1 -7  4   4  o 269.6762 2.508412  15181.37       278.2699 14817.88       
357.2796 15741.88       443.6694 265.6147 3.203887 273.7377 3.860521 -8.123016 
5.016823 
1 1 1 -7  4   5  o 261.9675 3.008023  14400.57       330.4571 14041.78       
454.5723 14802.68       481.2409 258.5154 4.188299 265.4196 4.318676 -6.904175 
6.016046 
1 1 1 -7  4   6  o 495.3154 3.726556  51299.38       757.6515 50294.42       
969.6114 52875.10       1214.119 489.1915 4.721065 501.4394 5.767184 -12.24789 
7.453111 
1 1 1 -7  4   7  o 271.7844 3.100172  15516.07       351.9768 15463.67       
474.2578 15580.32       525.1670 271.2876 4.163951 272.2813 4.594102 
-0.9937439     6.200344 
1 1 1 -7  4   8  o 177.6158 1.598963  6623.957       118.6480 6626.671       
176.7878 6621.732       160.0459 177.6465 2.370373 177.5852 2.146639 
0.6130981E-01  3.197925 
1 1 1 -7  4   9  o 136.2473 1.721439  3856.254       96.38555 3704.303       
123.1226 4096.780       154.9058 132.8218 2.207950 139.6729 2.641659 -6.851013 
3.442878 
1 1 1 -7  4   10 o 408.4133 3.739032  35002.94       639.9598 34005.02       
874.4019 36154.11       939.1417 402.1701 5.178719 414.6565 5.394655 -12.48636 
7.478063 
1 1 1 -7  4   11 o 376.5564 4.264778  29899.09       602.1475 29679.43       
1145.570 29982.95       707.8154 375.4105 7.268358 377.7023 4.463664 -2.291779 
8.529556 
1 1 1 -7  4   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  4   13 o 141.0688 2.168553  4170.167       124.3841 4220.352       
203.5900 4140.279       157.1168 141.7329 3.421423 140.4047 2.665399 1.328232 
4.337106 
1 1 1 -7  4   14 o 242.0629 4.074610  12375.18       405.1818 12122.54       
639.6331 12544.50       523.6424 239.9236 6.350077 244.2022 5.107476 -4.278595 
8.149220 
1 1 1 -7  4   15 o 30.19424 4.236654  206.2905       51.24400 148.2819       
79.54512 247.4437       66.99908 26.08979 7.081568 34.29870 4.652778 -8.208906 
8.473308 
1 1 1 -7  4   16 o 270.1700 3.662376  15409.01       401.1205 15207.00       
657.0792 15529.01       506.4351 268.6490 5.825772 271.6911 4.439861 -3.042084 
7.324752 
1 1 1 -7  4   17 o 267.9719 3.081777  15126.73       304.2058 15082.65       
595.7504 15142.28       353.8088 267.5432 5.303854 268.4005 3.139831 
-0.8573303     6.163554 
1 1 1 -7  4   18 o 141.2356 2.385765  4216.646       134.5546 4125.115       
227.5441 4265.861       166.8528 140.0090 3.871067 142.4621 2.789685 -2.453156 
4.771530 
1 1 1 -7  4   19 o 69.24635 2.348637  1022.189       66.92355 932.7453       
102.8679 1087.828       88.12225 66.56745 3.680774 71.92525 2.918268 -5.357803 
4.697274 
1 1 1 -7  4   20 o 172.5462 2.555884  6267.629       168.4272 6274.292       
311.4444 6264.876       200.2332 172.4973 4.300503 172.5951 2.763304 
-0.9777832E-01 5.111768 
1 1 1 -7  4   21 o 75.15520 2.338967  1202.236       72.22251 1120.732       
112.3256 1259.680       94.29911 72.93420 3.668332 77.37619 2.902828 -4.441986 
4.677934 
1 1 1 -7  4   22 o 161.6723 3.001617  5544.547       192.4009 5417.986       
330.0070 5609.720       236.8135 160.1347 4.908612 163.2099 3.456058 -3.075180 
6.003233 
1 1 1 -7  4   23 o 147.0775 2.410862  4452.542       124.8153 4745.557       
265.6071 4369.497       141.4007 149.9884 4.217968 144.1667 2.336187 5.821640 
4.821724 
1 1 1 -7  4   24 o 71.90971 2.546139  1091.727       74.78658 1081.850       
120.3066 1097.947       95.47525 71.61006 4.001626 72.20936 3.149332 
-0.5992966     5.092278 
1 1 1 -7  4   25 o 128.9245 3.457011  3457.655       184.5622 3153.958       
238.3825 3912.116       291.6097 122.0457 4.652357 135.8032 5.114615 -13.75751 
6.914023 
1 1 1 -7  4   26 o 132.1505 3.939779  3695.040       218.5846 3695.040       
218.5846 0.000000       0.000000 132.1505 3.939779 ?        ?        ? ? 
1 1 1 -7  4   27 o 69.23075 3.082256  1016.957       89.53744 985.3047       
124.1374 1051.280       129.2685 68.11240 4.341078 70.34910 4.376785 -2.236694 
6.164512 
1 1 1 -7  4   28 o 53.36676 3.641979  613.0447       81.18011 565.5226       
117.6248 656.2694       112.1806 51.31592 5.459689 55.41759 4.821600 -4.101673 
7.283957 
1 1 1 -7  4   29 o 30.67534 5.623023  217.0382       74.13704 166.0947       
103.9016 269.8761       105.8158 27.06145 8.331284 34.28922 7.554022 -7.227772 
11.24605 
1 1 1 -7  4   30 f 51.44704 3.870617  577.5400       83.37772 619.6553       
117.2885 534.5143       118.5494 53.42819 5.228849 49.46590 5.708401 3.962288 
7.741234 
1 1 1 -7  4   31 o 20.29278 5.629416  57.41036       73.08786 1.569064       
103.9543 111.9966       102.7794 17.52524 7.609639 23.06032 8.297873 -5.535082 
11.25883 
1 1 1 -7  4   32 o 16.69000 5.260639  -18.44111      74.31100 -34.10357      
112.7643 -6.418030      98.79833 16.72299 7.553034 16.65701 7.324545 
0.6598091E-01  10.52128 
1 1 1 -7  4   33 o 17.87768 5.525003  7.451226       78.28054 -57.55398      
135.7469 39.83836       95.81691 17.45503 8.026647 18.30033 7.594443 
-0.8452988     11.05001 
1 1 1 -7  4   34 o 36.48846 5.375524  332.9880       79.58398 293.4927       
124.3875 360.3606       103.5527 33.53135 8.745613 39.44556 6.252943 -5.914215 
10.75105 
1 1 1 -7  4   35 o 51.24926 4.140837  623.1715       86.48486 561.2700       
134.4235 666.8918       112.9709 48.30744 6.627995 54.19109 4.965462 -5.883652 
8.281674 
1 1 1 -7  4   36 o 35.02974 6.101881  345.3932       88.97601 386.2644       
132.7833 312.0862       119.8677 36.89732 8.702621 33.16216 8.555476 3.735161 
12.20376 
1 1 1 -7  5   1  o 359.5142 5.466668  27429.14       662.9669 26859.72       
1464.981 27575.79       743.4510 356.8125 9.779420 362.2159 4.888840 -5.403412 
10.93334 
1 1 1 -7  5   2  o 66.40399 2.099714  906.9188       55.47457 985.1949       
96.90193 868.7584       67.65871 68.48687 3.370126 64.32111 2.505482 4.165756 
4.199428 
1 1 1 -7  5   3  o 379.3290 4.244506  30203.76       674.1218 29512.82       
915.6843 31021.35       996.0871 374.6230 5.822002 384.0350 6.177996 -9.411957 
8.489013 
1 1 1 -7  5   4  o 44.29362 2.084150  412.0156       38.75569 413.9255       
55.07139 410.1417       54.54997 44.39527 2.954680 44.19198 2.940168 0.2032852 
4.168299 
1 1 1 -7  5   5  o 351.4680 3.299894  25962.04       486.9003 25641.48       
688.5709 26282.62       688.5910 349.2956 4.695444 353.6405 4.637890 -4.344940 
6.599789 
1 1 1 -7  5   6  o 353.3608 2.744626  26219.50       406.0899 26060.78       
553.6385 26404.34       597.4572 352.2137 3.744045 354.5079 4.014226 -2.294189 
5.489252 
1 1 1 -7  5   7  o 321.0891 4.582319  21617.33       615.3712 20893.76       
829.2276 22504.25       918.0706 315.1528 6.267200 327.0252 6.686762 -11.87241 
9.164639 
1 1 1 -7  5   8  o 342.7977 3.756897  24608.02       538.9559 23558.38       
728.0146 25880.88       801.6996 334.7547 5.180057 350.8407 5.442804 -16.08603 
7.513794 
1 1 1 -7  5   9  o 436.1082 3.848615  39882.30       690.9081 39445.56       
890.9258 40541.22       1094.327 433.1907 4.898730 439.0258 5.937153 -5.835114 
7.697230 
1 1 1 -7  5   10 f 226.8697 3.046018  10456.66       250.7899 11534.78       
514.7657 10121.11       287.1768 234.2236 5.234800 219.5158 3.116051 14.70776 
6.092036 
1 1 1 -7  5   11 o 250.3981 4.880282  13345.88       501.5741 12455.19       
782.6600 13966.63       653.3811 243.1445 7.667075 257.6517 6.040246 -14.50717 
9.760564 
1 1 1 -7  5   12 o 222.3222 4.755335  10235.97       404.2260 10818.71       
755.8849 10002.57       478.3760 226.5508 7.947145 218.0936 5.224534 8.457245 
9.510671 
1 1 1 -7  5   13 o 248.0897 3.272040  12767.57       295.7787 13287.76       
595.2942 12597.05       340.8257 251.3077 5.642180 244.8718 3.315237 6.435913 
6.544081 
1 1 1 -7  5   14 o 190.0878 2.246228  7604.675       172.6548 7541.189       
284.9566 7641.500       217.0280 189.4386 3.582871 190.7370 2.710203 -1.298370 
4.492457 
1 1 1 -7  5   15 o 241.9219 3.059112  12282.17       294.8951 12387.27       
504.8433 12227.74       363.3239 242.6393 4.955831 241.2045 3.587812 1.434891 
6.118223 
1 1 1 -7  5   16 o 113.5976 2.092325  2633.558       90.64214 2897.394       
171.8365 2531.846       106.6929 117.4047 3.486191 109.7905 2.314686 7.614220 
4.184651 
1 1 1 -7  5   17 o 81.51067 2.168634  1410.613       73.46194 1233.661       
106.8364 1569.312       101.1763 76.60374 3.321928 86.41760 2.788672 -9.813858 
4.337268 
1 1 1 -7  5   18 o 157.4456 2.853364  5205.812       176.0770 5250.905       
311.4550 5184.630       213.4629 157.8702 4.699114 157.0210 3.238066 0.8492126 
5.706728 
1 1 1 -7  5   19 o 144.5314 2.266006  4355.050       128.6605 4504.464       
227.9746 4285.220       155.8527 146.2832 3.712043 142.7796 2.599974 3.503586 
4.532012 
1 1 1 -7  5   20 o 174.1731 3.189424  6223.238       204.7588 6769.787       
408.9197 6040.343       236.5505 178.9415 5.443122 169.4048 3.325978 9.536743 
6.378848 
1 1 1 -7  5   21 o 29.81771 4.382683  198.9794       52.65367 163.1188       
83.87223 222.3057       67.64455 27.20150 7.221753 32.43393 4.967688 -5.232437 
8.765367 
1 1 1 -7  5   22 o 96.58411 2.228863  1937.987       88.51472 2086.054       
142.3611 1844.672       113.0159 99.53072 3.406867 93.63750 2.874820 5.893211 
4.457727 
1 1 1 -7  5   23 o 132.0377 2.594736  3672.518       140.7472 3676.483       
223.4109 3669.909       181.2348 132.0468 4.029931 132.0287 3.269598 
0.1815796E-01  5.189472 
1 1 1 -7  5   24 o 219.4364 3.707746  10175.75       327.2967 10256.22       
548.5103 10131.25       407.8649 219.8469 5.942721 219.0260 4.435493 0.8209839 
7.415493 
1 1 1 -7  5   25 f 94.64449 2.251916  1834.772       84.40453 2045.956       
149.6113 1736.178       102.2260 98.47267 3.618844 90.81629 2.681134 7.656380 
4.503832 
1 1 1 -7  5   26 o 117.2073 3.395756  2917.267       167.0722 2863.167       
236.5021 2971.160       236.0500 116.1086 4.851673 118.3059 4.752464 -2.197220 
6.791512 
1 1 1 -7  5   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  5   28 o 71.47829 2.983652  1084.265       89.43188 1030.317       
123.0045 1144.763       130.2585 69.59871 4.209601 73.35786 4.229418 -3.759148 
5.967304 
1 1 1 -7  5   29 o 40.31854 4.668293  364.6779       75.73643 288.7887       
107.5235 439.4041       106.6963 35.56368 7.441851 45.07341 5.638323 -9.509727 
9.336586 
1 1 1 -7  5   30 o 48.79557 3.948110  519.4365       80.73273 539.1934       
112.3960 498.3785       116.0377 49.82091 5.373536 47.77023 5.785794 2.050674 
7.896221 
1 1 1 -7  5   31 o 110.8342 3.158790  2655.131       145.9982 2658.450       
219.4242 2652.495       195.5734 110.7092 4.720869 110.9593 4.198238 
-0.2501678     6.317579 
1 1 1 -7  5   32 o 33.21506 5.981163  270.7838       83.72060 260.8919       
118.3543 280.6906       118.4434 32.56103 8.548703 33.86908 8.367610 -1.308052 
11.96233 
1 1 1 -7  5   33 o 40.13285 5.142934  382.0666       84.44206 363.1167       
122.7157 399.1087       116.3746 38.60909 7.843518 41.65661 6.654195 -3.047527 
10.28587 
1 1 1 -7  5   34 o 19.13614 5.427835  32.89198       77.20868 -111.4494      
121.6641 130.2167       99.90300 14.93865 7.111106 23.33363 8.202302 -8.394982 
10.85567 
1 1 1 -7  5   35 o 45.20208 4.912201  519.7689       84.95234 384.2802       
131.3273 617.2578       111.3989 38.26245 8.403741 52.14171 5.088815 -13.87926 
9.824403 
1 1 1 -7  5   36 o 15.10792 5.002992  -58.29717      78.66393 -17.82154      
120.2777 -88.55118      103.9871 16.59163 7.598469 13.62422 6.510221 2.967418 
10.00598 
1 1 1 -7  6   1  o 481.3440 6.454346  48931.14       1274.555 48473.03       
2025.647 49231.38       1639.854 479.2462 10.06761 483.4418 8.079456 -4.195648 
12.90869 
1 1 1 -7  6   2  o 474.7440 6.974729  47665.85       913.9138 47408.91       
2595.415 47702.21       976.4532 473.0900 13.06725 476.3979 4.882054 -3.307983 
13.94946 
1 1 1 -7  6   3  o 66.21797 1.655021  915.4229       45.81185 867.2172       
61.43048 975.8242       68.76337 64.26575 2.276803 68.17020 2.402612 -3.904457 
3.310041 
1 1 1 -7  6   4  o 147.3213 1.707369  4517.878       104.4942 4301.963       
136.8141 4820.167       161.8832 143.1360 2.276687 151.5066 2.545022 -8.370590 
3.414738 
1 1 1 -7  6   5  o 235.0977 2.348802  11609.14       231.8209 11619.07       
329.5458 11599.41       326.1688 235.1966 3.337381 234.9989 3.305961 0.1977234 
4.697605 
1 1 1 -7  6   6  o 366.1215 4.716416  28199.66       724.8288 27871.96       
1013.324 28543.00       1037.219 363.9490 6.631759 368.2940 6.708062 -4.344971 
9.432832 
1 1 1 -7  6   7  o 361.9138 2.431428  27509.97       368.7190 27461.11       
505.6613 27565.45       538.8108 361.5779 3.331033 362.2497 3.542822 
-0.6717529     4.862856 
1 1 1 -7  6   8  o 169.2255 1.716295  5932.782       118.9651 5666.069       
150.8718 6371.210       193.4355 164.2699 2.187616 174.1811 2.645185 -9.911209 
3.432589 
1 1 1 -7  6   9  o 95.70750 2.083793  1921.858       80.17886 1930.511       
134.5363 1917.092       99.84779 95.86753 3.342637 95.54749 2.489088 0.3200455 
4.167587 
1 1 1 -7  6   10 o 358.2557 5.244256  26954.96       632.7880 27159.85       
1411.255 26903.40       707.9436 358.7535 9.369801 357.7579 4.713358 0.9956055 
10.48851 
1 1 1 -7  6   11 o 415.8654 8.826453  36022.02       1266.227 37792.33       
2757.389 35548.94       1425.408 421.0947 15.59694 410.6361 8.268050 10.45865 
17.65291 
1 1 1 -7  6   12 o 242.5791 4.140369  12107.19       373.9719 12974.79       
732.8732 11801.74       434.8474 248.2012 7.033087 236.9569 4.371078 11.24428 
8.280739 
1 1 1 -7  6   13 o 358.9208 4.515053  27043.83       626.1863 27329.68       
1137.326 26919.48       750.1177 360.0680 7.523529 357.7735 4.993927 2.294495 
9.030106 
1 1 1 -7  6   14 o 226.7628 2.560960  10734.20       205.6017 10940.15       
429.4597 10672.96       234.1828 228.0983 4.484577 225.4274 2.474397 2.670853 
5.121921 
1 1 1 -7  6   15 o 196.1598 2.879997  8031.725       226.1523 8283.291       
385.4577 7899.672       279.2705 198.4395 4.626683 193.8800 3.430939 4.559448 
5.759995 
1 1 1 -7  6   16 o 102.7206 2.302292  2170.049       92.07871 2343.984       
167.5809 2094.827       110.2051 105.5841 3.780479 99.85697 2.628721 5.727173 
4.604585 
1 1 1 -7  6   17 o 110.6888 2.287672  2519.917       99.73635 2734.957       
177.7588 2421.119       120.4889 114.0354 3.712895 107.3422 2.673609 6.693214 
4.575344 
1 1 1 -7  6   18 o 81.31720 2.087772  1399.672       70.70316 1296.016       
104.4016 1487.487       96.09307 78.50809 3.167480 84.12630 2.720704 -5.618202 
4.175543 
1 1 1 -7  6   19 o 170.6464 2.386129  6026.670       152.8115 6351.023       
294.5627 5907.234       178.7455 173.6508 4.040377 167.6419 2.539648 6.008896 
4.772259 
1 1 1 -7  6   20 o 55.80746 2.542852  652.9340       58.75949 673.0199       
91.58457 638.8813       76.60450 56.52045 3.859560 55.09449 3.311824 1.425961 
5.085703 
1 1 1 -7  6   21 o 24.18320 4.786433  125.7858       50.32747 147.0797       
76.23289 109.3353       67.00440 25.85120 6.894943 22.51519 6.640747 3.336010 
9.572865 
1 1 1 -7  6   22 o 178.6708 2.714520  6667.988       175.7407 6847.322       
355.3444 6609.921       202.2005 180.0696 4.700349 177.2720 2.716835 2.797653 
5.429040 
1 1 1 -7  6   23 o 113.6463 2.049551  2737.225       94.71153 2635.730       
152.9901 2800.294       120.6000 111.8915 3.256772 115.4011 2.489193 -3.509544 
4.099103 
1 1 1 -7  6   24 o 159.2028 2.775388  5336.345       182.6900 5397.816       
284.9247 5293.429       238.0685 159.9171 4.243812 158.4885 3.577874 1.428589 
5.550777 
1 1 1 -7  6   25 o 177.6949 3.503834  6665.842       249.9399 6776.682       
421.6664 6605.805       310.3335 178.5897 5.623849 176.8000 4.180877 1.789703 
7.007668 
1 1 1 -7  6   26 o 107.6040 2.327260  2491.569       101.6614 2235.757       
161.3473 2659.988       130.9172 102.8513 3.736568 112.3567 2.775357 -9.505333 
4.654520 
1 1 1 -7  6   27 o 85.32764 2.771412  1578.502       93.23307 1432.063       
158.2849 1656.300       115.3706 82.08169 4.593190 88.57359 3.102501 -6.491898 
5.542825 
1 1 1 -7  6   28 o 71.80056 4.470620  1098.025       134.7642 0.000000       
0.000000 1098.025       134.7642 ?        ?        71.80056 4.470620 ? ? 
1 1 1 -7  6   29 o 98.81320 2.927561  2083.584       121.3698 2144.312       
170.4202 2021.082       172.8923 100.3097 4.046681 97.31667 4.231647 2.993057 
5.855123 
1 1 1 -7  6   30 f 56.06168 3.624484  664.3696       84.31273 804.4843       
131.3767 566.2507       109.9392 60.96860 5.132552 51.15477 5.119029 9.813828 
7.248968 
1 1 1 -7  6   31 o 30.64396 5.958089  227.6819       80.73585 172.0750       
119.4812 274.4060       109.5231 27.20602 8.994287 34.08191 7.816529 -6.875889 
11.91618 
1 1 1 -7  6   32 f 30.98306 5.865053  237.1338       81.70002 147.8970       
118.6553 317.5807       112.6602 25.42266 8.938783 36.54346 7.595628 -11.12080 
11.73011 
1 1 1 -7  6   33 o 16.37873 5.251278  -56.61306      79.53387 22.34120       
118.3995 -121.5355      107.3642 19.01016 8.185763 13.74729 6.580042 5.262866 
10.50256 
1 1 1 -7  6   34 o 31.04255 5.913842  253.2616       80.47475 193.0338       
125.2012 295.6619       105.0495 27.37338 9.207064 34.71172 7.424560 -7.338337 
11.82768 
1 1 1 -7  6   35 o 22.56355 6.080891  115.0683       83.79220 48.79335       
127.1011 166.0151       111.4379 19.86287 8.514937 25.26421 8.683594 -5.401339 
12.16178 
1 1 1 -7  6   36 o 35.08344 5.717187  337.8093       82.60884 297.1123       
123.1755 371.0778       111.3679 32.23608 8.840052 37.93079 7.252475 -5.694717 
11.43437 
1 1 1 -7  7   1  o 222.6903 2.523453  10340.80       232.5557 9986.657       
301.9796 10856.91       364.5541 218.0506 3.298689 227.3299 3.819675 -9.279312 
5.046906 
1 1 1 -7  7   2  o 304.7819 3.107212  19560.94       395.8742 19042.75       
583.3629 20003.25       538.9701 301.0161 4.616045 308.5476 4.160672 -7.531494 
6.214424 
1 1 1 -7  7   3  o 285.7509 2.767827  16940.10       322.8202 16281.87       
407.4088 18050.63       529.1828 278.4098 3.485515 293.0919 4.300540 -14.68210 
5.535653 
1 1 1 -7  7   4  f 229.6416 2.173512  10913.14       198.9052 10576.75       
243.5813 11586.35       344.5894 224.4257 2.585190 234.8575 3.494770 -10.43176 
4.347024 
1 1 1 -7  7   5  o 65.75383 1.866128  902.4503       51.35436 982.6353       
76.34859 836.1967       69.39977 68.40495 2.658487 63.10271 2.619576 5.302242 
3.732256 
1 1 1 -7  7   6  o 560.3649 4.509762  64969.18       984.3170 63208.63       
1180.474 68986.15       1783.126 548.3366 5.127788 572.3931 7.420081 -24.05646 
9.019524 
1 1 1 -7  7   7  o 443.6549 5.811198  41444.65       1081.586 40732.88       
1495.785 42224.62       1565.803 439.6891 8.102977 447.6207 8.331979 -7.931580 
11.62240 
1 1 1 -7  7   8  o 513.2794 5.809956  54565.84       902.6429 56908.09       
2325.303 54150.27       979.4491 518.9703 10.67230 507.5885 4.596118 11.38174 
11.61991 
1 1 1 -7  7   9  o 169.7025 2.985275  6110.558       207.0253 5783.844       
328.5246 6325.757       266.6271 165.8811 4.717284 173.5238 3.659876 -7.642700 
5.970549 
1 1 1 -7  7   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  7   11 o 158.4977 2.723660  5269.692       173.2534 5308.561       
292.0253 5248.580       215.2230 158.9258 4.376705 158.0696 3.243109 0.8561707 
5.447320 
1 1 1 -7  7   12 o 222.3601 3.568700  10349.95       299.8165 10507.02       
566.5596 10288.85       353.3468 223.4413 6.039530 221.2788 3.803491 2.162476 
7.137399 
1 1 1 -7  7   13 o 263.1312 2.822464  14551.26       267.7990 14553.93       
542.1432 14550.40       307.9980 263.0644 4.908775 263.1981 2.787316 
-0.1337280     5.644927 
1 1 1 -7  7   14 o 251.1647 2.760434  13043.82       227.7469 13609.14       
529.7335 12915.63       252.2496 254.3463 4.960816 247.9832 2.422865 6.363098 
5.520867 
1 1 1 -7  7   15 o 126.0744 2.287682  3362.368       119.7194 3175.534       
180.6107 3508.797       159.8935 122.9183 3.499839 129.2305 2.947046 -6.312202 
4.575363 
1 1 1 -7  7   16 o 239.8477 3.511528  12025.38       323.8975 12325.11       
595.2913 11899.34       386.0422 241.8180 5.863567 237.8773 3.865474 3.940704 
7.023055 
1 1 1 -7  7   17 o 237.4961 4.334710  11883.41       413.9399 11973.62       
694.5757 11833.72       515.4830 238.0137 6.950863 236.9786 5.181152 1.035110 
8.669420 
1 1 1 -7  7   18 o 173.0430 3.393762  6249.885       232.2198 6491.105       
406.5659 6133.085       282.9088 175.3865 5.521484 170.6995 3.947619 4.687027 
6.787524 
1 1 1 -7  7   19 o 123.9795 2.592689  3249.403       130.0834 3183.167       
213.5674 3288.471       164.0200 122.9235 4.138291 125.0354 3.124530 -2.111908 
5.185378 
1 1 1 -7  7   20 o 127.6456 2.342369  3389.665       121.1164 3578.723       
201.9829 3283.520       151.3441 130.3510 3.690806 124.9401 2.885257 5.410881 
4.684737 
1 1 1 -7  7   21 o 133.2621 2.199173  3757.821       122.1988 3530.238       
180.3374 3951.031       166.1620 129.4873 3.317261 137.0369 2.888120 -7.549606 
4.398346 
1 1 1 -7  7   22 o 157.6980 2.928829  5275.724       186.5459 5128.374       
307.0024 5361.975       234.8809 155.8388 4.692318 159.5573 3.506324 -3.718567 
5.857657 
1 1 1 -7  7   23 o 149.8945 2.629255  4684.877       155.9773 4881.934       
272.8239 4589.193       190.1112 152.1213 4.271826 147.6678 3.066500 4.453522 
5.258509 
1 1 1 -7  7   24 o 87.71116 2.410229  1648.939       86.11479 1492.632       
135.8893 1753.838       111.3215 84.13457 3.847085 91.28775 2.904609 -7.153183 
4.820458 
1 1 1 -7  7   25 o 110.4811 2.326282  2544.916       104.2211 2679.430       
173.2374 2468.615       130.4736 112.6897 3.661663 108.2725 2.870290 4.417267 
4.652563 
1 1 1 -7  7   26 o 64.41016 2.711629  829.2538       70.70883 1063.930       
121.2909 708.4391       87.02686 70.90683 4.074376 57.91348 3.579272 12.99335 
5.423258 
1 1 1 -7  7   27 o 76.75725 2.467918  1266.264       77.71954 1132.762       
119.6601 1363.676       102.2142 73.13229 3.897277 80.38220 3.028812 -7.249908 
4.935836 
1 1 1 -7  7   28 f 128.6184 2.415598  3442.957       119.2231 3647.634       
221.5282 3359.501       141.4562 131.0548 4.026217 126.1820 2.670213 4.872841 
4.831196 
1 1 1 -7  7   29 o 200.1803 4.822834  8770.628       405.2462 8660.965       
576.1423 8878.009       570.1146 198.8443 6.901408 201.5163 6.738654 -2.671951 
9.645667 
1 1 1 -7  7   30 o 78.97877 4.701922  1342.822       155.9067 1342.822       
155.9067 0.000000       0.000000 78.97877 4.701922 ?        ?        ? ? 
1 1 1 -7  7   31 o 27.59309 6.170445  179.0086       80.04437 169.7858       
118.6363 186.7153       108.4482 27.08311 8.962429 28.10306 8.483658 -1.019945 
12.34089 
1 1 1 -7  7   32 o 49.35354 4.202425  542.7573       86.54373 540.0859       
129.3434 544.9227       116.4519 49.07943 6.277196 49.62766 5.589123 
-0.5482330     8.404849 
1 1 1 -7  7   33 o 77.74889 3.495244  1332.760       113.1433 1334.082       
171.1432 1331.734       150.7985 77.53815 5.257330 77.95963 4.607321 
-0.4214706     6.990488 
1 1 1 -7  7   34 f 107.4165 3.487071  2571.916       156.6693 2479.830       
228.7893 2653.223       214.9825 105.2963 5.175398 109.5367 4.674815 -4.240456 
6.974141 
1 1 1 -7  7   35 o 39.75013 5.470840  422.7974       85.91447 275.4960       
134.4327 524.4988       111.7030 31.63786 9.424361 47.86240 5.558935 -16.22454 
10.94168 
1 1 1 -7  7   36 o 25.12342 5.667328  168.0938       81.85432 12.24038       
126.4734 280.4332       107.3759 17.97897 8.065247 32.26788 7.964059 -14.28892 
11.33466 
1 1 1 -7  8   1  o 335.8079 3.030697  23656.63       425.3255 23298.44       
572.7006 24097.18       635.1350 332.9930 4.096506 338.6228 4.467565 -5.629852 
6.061394 
1 1 1 -7  8   2  o 324.8457 4.927033  22251.90       659.5106 21997.87       
1034.120 22426.06       856.2371 323.1940 7.621295 326.4975 6.246479 -3.303528 
9.854067 
1 1 1 -7  8   3  o 92.90288 1.906054  1798.249       73.91441 1687.789       
98.33671 1941.705       112.0652 89.65032 2.612672 96.15543 2.775990 -6.505104 
3.812109 
1 1 1 -7  8   4  o 317.7834 4.124660  21239.14       550.2974 21279.69       
779.1003 21198.78       777.3785 318.0859 5.834049 317.4808 5.832250 0.6050415 
8.249319 
1 1 1 -7  8   5  o 148.5941 1.965175  4621.135       121.9800 4487.469       
163.4645 4789.089       183.2350 146.1804 2.663515 151.0079 2.890214 -4.827423 
3.930350 
1 1 1 -7  8   6  o 219.1889 2.796601  10015.96       254.5746 9592.876       
333.2973 10608.45       394.4170 213.6873 3.715130 224.6905 4.181114 -11.00316 
5.593202 
1 1 1 -7  8   7  o 141.4073 2.590956  4187.980       147.0694 4244.386       
248.1545 4157.442       182.5910 142.1231 4.158901 140.6915 3.091239 1.431534 
5.181912 
1 1 1 -7  8   8  o 525.8822 7.197103  58310.93       1435.848 58648.22       
2687.050 58176.12       1698.710 526.2539 12.16190 525.5105 7.699435 0.7434082 
14.39421 
1 1 1 -7  8   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  8   10 o 588.3722 7.508087  72686.83       1498.200 74059.48       
3316.648 72334.93       1679.297 590.6013 13.37599 586.1430 6.824095 4.458313 
15.01617 
1 1 1 -7  8   11 o 187.6231 2.428994  7381.508       172.5576 7427.998       
324.2696 7363.143       203.8111 188.0022 4.108322 187.2441 2.592631 0.7580719 
4.857987 
1 1 1 -7  8   12 o 288.1985 4.340282  17445.53       478.9037 17577.09       
883.2996 17390.76       569.9437 288.8035 7.284950 287.5934 4.720348 1.210083 
8.680564 
1 1 1 -7  8   13 o 120.9532 2.338150  3074.577       114.3176 3070.780       
189.1661 3076.761       143.4819 120.8798 3.727440 121.0267 2.823821 
-0.1468811     4.676299 
1 1 1 -7  8   14 o 94.74128 1.941462  1869.431       75.45901 1959.469       
121.5572 1812.981       96.24960 96.57511 2.998033 92.90745 2.467570 3.667664 
3.882925 
1 1 1 -7  8   15 o 263.1717 3.970823  14595.20       422.9567 14558.19       
697.4058 14616.73       531.9506 262.7903 6.321167 263.5530 4.807556 
-0.7627258     7.941646 
1 1 1 -7  8   16 o 66.75410 2.350255  931.2643       64.85671 967.1177       
101.8240 906.7885       84.13054 67.82169 3.576041 65.68652 3.050693 2.135178 
4.700511 
1 1 1 -7  8   17 o 156.8562 3.015901  5140.119       189.7201 5308.665       
322.1520 5050.626       234.7454 158.7497 4.833580 154.9626 3.608205 3.787094 
6.031802 
1 1 1 -7  8   18 o 274.3614 4.888260  15952.08       546.0776 15873.08       
886.3556 16000.42       693.2793 273.5259 7.718460 275.1969 6.000477 -1.670990 
9.776521 
1 1 1 -7  8   19 o 106.1562 2.426903  2295.032       101.5082 2591.155       
182.2446 2161.845       122.2225 110.9202 3.913499 101.3922 2.871228 9.527992 
4.853805 
1 1 1 -7  8   20 o 65.40146 2.181913  901.4797       59.71014 812.5028       
84.07838 992.0165       84.81219 62.13323 3.223157 68.66969 2.941808 -6.536453 
4.363825 
1 1 1 -7  8   21 o 246.9476 4.261081  13051.95       416.3163 12551.19       
713.5883 13310.34       512.5936 242.8988 6.997509 250.9963 4.864373 -8.097549 
8.522162 
1 1 1 -7  8   22 f 89.96432 2.318923  1683.361       84.91634 1786.257       
140.0737 1623.573       106.7737 92.08292 3.623253 87.84571 2.895109 4.237213 
4.637846 
1 1 1 -7  8   23 o 19.81030 5.005535  67.77374       56.02552 4.697186       
89.74645 108.0516       71.71606 17.09617 7.235228 22.52443 6.919031 -5.428257 
10.01107 
1 1 1 -7  8   24 o 77.62809 2.420445  1281.569       77.43628 1201.079       
119.4880 1339.853       101.6781 75.47696 3.770777 79.77922 3.035698 -4.302261 
4.840891 
1 1 1 -7  8   25 o 90.28458 2.217565  1714.450       81.19537 1729.738       
133.6172 1705.500       102.2369 90.55946 3.514386 90.00970 2.705450 0.5497589 
4.435129 
1 1 1 -7  8   26 o 73.69934 2.476944  1150.948       75.61839 1121.736       
116.0402 1172.510       99.69282 72.84583 3.794240 74.55286 3.185082 -1.707031 
4.953888 
1 1 1 -7  8   27 o 18.89402 5.137290  50.68241       59.40376 -3.411452      
96.35416 83.84945       75.44836 17.17029 7.388893 20.61775 7.139415 -3.447458 
10.27458 
1 1 1 -7  8   28 o 160.7261 2.925369  5485.882       191.9075 5505.218       
310.1431 5473.885       244.2902 160.7265 4.596165 160.7257 3.620276 
0.7629395E-03  5.850738 
1 1 1 -7  8   29 o 101.5793 2.137481  2177.129       90.03889 2226.896       
139.3080 2141.423       117.9974 102.5120 3.236849 100.6465 2.792510 1.865540 
4.274962 
1 1 1 -7  8   30 o 105.2121 2.875149  2368.988       126.7474 2343.167       
184.5649 2392.035       174.3653 104.6026 4.202695 105.8216 3.924703 -1.219009 
5.750299 
1 1 1 -7  8   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  8   32 o 84.50900 3.286983  1543.610       114.7807 1615.790       
180.5358 1494.638       148.7044 85.91605 5.005069 83.10196 4.262197 2.814087 
6.573967 
1 1 1 -7  8   33 o 70.13406 3.382725  1069.906       98.79639 1164.396       
151.7298 1000.357       130.1729 72.66920 4.973265 67.59892 4.586715 5.070290 
6.765450 
1 1 1 -7  8   34 o 94.78474 3.304981  1984.289       131.1395 1997.016       
193.0326 1973.381       178.7127 94.88979 4.845429 94.67968 4.495933 0.2101135 
6.609962 
1 1 1 -7  8   35 o 25.25662 6.165523  162.6638       81.85882 111.7359       
119.4397 207.7746       112.4115 22.46038 8.766787 28.05287 8.671685 -5.592491 
12.33105 
1 1 1 -7  8   36 o 19.38234 5.776083  59.88080       79.80697 94.89979       
121.6318 33.40751       105.7546 21.00969 8.619086 17.75499 7.691809 3.254696 
11.55217 
1 1 1 -7  9   1  o 267.9528 2.638760  14931.10       274.6082 15485.39       
497.4645 14688.17       329.3320 271.4530 4.365043 264.4525 2.966247 7.000519 
5.277520 
1 1 1 -7  9   2  o 368.4976 6.063260  28811.80       830.9686 28225.42       
1595.557 29030.03       973.3983 365.5391 10.39680 371.4561 6.241719 -5.916931 
12.12652 
1 1 1 -7  9   3  o 324.8826 4.148882  22201.03       565.7578 22207.81       
791.4783 22193.94       809.0144 324.9406 5.801711 324.8246 5.932372 0.1159668 
8.297764 
1 1 1 -7  9   4  o 466.8684 5.204670  45703.57       1010.585 44529.84       
1332.936 47290.36       1549.827 459.9373 6.902901 473.7995 7.791298 -13.86221 
10.40934 
1 1 1 -7  9   5  o 114.2798 1.746387  2741.770       83.69269 2756.960       
121.4668 2728.040       115.4788 114.5802 2.525045 113.9795 2.413219 0.6007004 
3.492775 
1 1 1 -7  9   6  o 222.2482 3.316017  10444.71       264.7136 10261.63       
536.5317 10503.61       304.3334 220.8772 5.785828 223.6191 3.241617 -2.741898 
6.632035 
1 1 1 -7  9   7  o 166.9581 2.772820  5756.954       173.1237 6076.795       
335.8210 5641.185       202.0408 170.0282 4.704440 163.8879 2.936386 6.140289 
5.545640 
1 1 1 -7  9   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  9   9  o 418.1491 5.025889  36499.38       742.2131 37424.27       
1557.407 36227.59       844.2523 421.1839 8.807474 415.1144 4.844238 6.069489 
10.05178 
1 1 1 -7  9   10 o 256.4890 3.217502  13152.62       221.8497 14729.34       
669.4576 12958.11       235.1361 264.5665 6.027112 248.4115 2.254595 16.15495 
6.435005 
1 1 1 -7  9   11 o 544.7103 6.396755  61168.05       1114.246 64971.98       
2691.378 60381.18       1224.077 553.6693 11.57832 535.7513 5.442101 17.91797 
12.79351 
1 1 1 -7  9   12 o 138.1461 1.839267  3907.415       96.04646 4239.636       
184.2462 3783.446       112.5487 142.0616 3.089178 134.2305 1.997148 7.831131 
3.678535 
1 1 1 -7  9   13 o 100.7053 2.240371  2150.515       93.44086 1993.459       
141.2911 2272.603       124.5729 97.39864 3.455279 104.0119 2.852735 -6.613258 
4.480742 
1 1 1 -7  9   14 o 64.84254 2.410621  879.8743       64.56057 904.1170       
101.4292 863.3631       83.70691 65.58399 3.683716 64.10110 3.110405 1.482895 
4.821242 
1 1 1 -7  9   15 o 44.29774 2.851819  422.5606       51.72439 352.8730       
78.04989 477.1341       69.06930 40.95218 4.539587 47.64330 3.453061 -6.691120 
5.703637 
1 1 1 -7  9   16 o 96.65815 2.170879  1988.669       86.48311 1814.374       
132.2600 2118.856       114.3061 92.89790 3.391124 100.4184 2.711298 -7.520508 
4.341757 
1 1 1 -7  9   17 o 137.5168 2.768738  3872.793       148.0491 4260.333       
271.1382 3708.167       176.7187 142.2298 4.540683 132.8038 3.169517 9.425980 
5.537476 
1 1 1 -7  9   18 f 181.4770 3.368002  6863.787       242.5541 7184.380       
422.3699 6706.036       296.2796 184.4825 5.453291 178.4715 3.954157 6.011047 
6.736004 
1 1 1 -7  9   19 o 56.09556 2.726309  673.6683       62.88676 598.2050       
95.93159 730.5341       83.27580 53.27332 4.289167 58.91780 3.366615 -5.644478 
5.452618 
1 1 1 -7  9   20 o 156.3040 2.209099  5163.857       141.7982 5030.380       
223.7369 5253.462       183.3155 154.5659 3.447822 158.0421 2.762787 -3.476196 
4.418198 
1 1 1 -7  9   21 o 196.9315 3.649064  8142.086       279.3093 8356.142       
503.6140 8046.996       335.6637 198.5218 6.042418 195.3412 4.092903 3.180527 
7.298128 
1 1 1 -7  9   22 o 201.9015 3.090028  8638.160       243.2805 8500.320       
431.5984 8702.350       294.5291 200.5213 5.126729 203.2816 3.451051 -2.760239 
6.180056 
1 1 1 -7  9   23 o 159.0034 2.776828  5288.470       178.9688 5486.997       
296.8209 5175.067       224.3344 161.2465 4.384552 156.7603 3.408636 4.486176 
5.553656 
1 1 1 -7  9   24 o 74.41640 2.737277  1179.798       83.60010 1107.535       
130.7034 1229.831       108.7561 72.42796 4.298347 76.40484 3.390421 -3.976875 
5.474555 
1 1 1 -7  9   25 o 29.23075 4.782504  206.2477       61.81649 75.23120       
99.27902 289.2049       78.99898 21.53154 8.094939 36.92997 5.095228 -15.39843 
9.565008 
1 1 1 -7  9   26 o 103.4279 2.329924  2243.754       95.15482 2298.270       
166.4882 2217.308       115.9613 104.2637 3.803394 102.5921 2.692280 1.671593 
4.659847 
1 1 1 -7  9   27 o 68.91586 2.731234  1032.622       76.70609 862.4282       
117.2957 1159.792       101.3915 63.73462 4.383568 74.09710 3.259278 -10.36248 
5.462469 
1 1 1 -7  9   28 o 40.93115 3.581023  351.6846       60.95053 409.8356       
94.37683 310.0767       79.83157 43.77030 5.135787 38.09200 4.991855 5.678295 
7.162047 
1 1 1 -7  9   29 o 110.9702 2.641837  2575.429       116.5132 2748.878       
203.0150 2490.239       142.2774 113.5027 4.260325 108.4377 3.125193 5.065063 
5.283673 
1 1 1 -7  9   30 o 67.85636 3.231514  970.8719       91.08478 1189.540       
139.3591 807.7939       120.3485 74.43875 4.459202 61.27397 4.678273 13.16478 
6.463027 
1 1 1 -7  9   31 o 62.07447 3.520995  833.8969       89.50396 851.1770       
143.7722 822.9620       114.3692 62.37255 5.490381 61.77638 4.409687 0.5961761 
7.041990 
1 1 1 -7  9   32 o 85.64999 4.601962  1595.314       165.4815 0.000000       
0.000000 1595.314       165.4815 ?        ?        85.64999 4.601962 ? ? 
1 1 1 -7  9   33 o 75.52376 3.522526  1253.606       110.9478 1290.642       
167.7029 1224.780       147.9540 76.32555 5.233494 74.72197 4.716279 1.603584 
7.045052 
1 1 1 -7  9   34 o 20.59306 5.999875  64.53229       83.42496 65.89009       
125.0894 63.44454       111.9607 20.96217 8.686849 20.22396 8.278444 0.7382145 
11.99975 
1 1 1 -7  9   35 o 15.07525 5.023559  -85.19424      82.32943 -101.4143      
119.2879 -70.43989      113.7707 14.88949 7.065681 15.26101 7.142879 
-0.3715267     10.04712 
1 1 1 -7  9   36 o 46.65038 4.681476  534.4266       90.47481 489.3362       
134.3492 571.8452       122.3872 44.19982 7.239949 49.10093 5.937003 -4.901115 
9.362951 
1 1 1 -7  10  1  o 265.1999 3.000298  14857.22       329.5836 14281.62       
503.9609 15287.38       435.6654 260.6620 4.605113 269.7379 3.847089 -9.075928 
6.000597 
1 1 1 -7  10  2  o 192.3764 2.294340  7844.856       168.0482 7604.536       
309.9348 7944.928       199.9987 190.2436 3.880444 194.5092 2.449110 -4.265579 
4.588679 
1 1 1 -7  10  3  o 261.5033 2.546284  14358.30       278.9080 14249.39       
381.0227 14484.02       409.3724 260.4422 3.484661 262.5644 3.713675 -2.122162 
5.092567 
1 1 1 -7  10  4  o 397.2435 4.241761  33188.44       706.2259 33377.57       
1030.551 33020.97       969.7297 398.2858 6.163053 396.2012 5.829831 2.084595 
8.483522 
1 1 1 -7  10  5  o 406.8035 4.479296  34235.86       513.2186 35628.07       
1440.815 34033.55       549.2437 411.0875 8.348240 402.5194 3.250119 8.568085 
8.958592 
1 1 1 -7  10  6  o 53.95770 3.191757  599.7942       63.09212 636.8668       
126.5497 587.5314       72.78257 55.02893 5.477610 52.88647 3.277961 2.142456 
6.383513 
1 1 1 -7  10  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  10  8  o 105.5454 1.758309  2313.560       73.98242 2420.972       
127.6580 2259.240       90.78193 107.3632 2.832133 103.7276 2.084615 3.635574 
3.516617 
1 1 1 -7  10  9  o 234.6367 3.238875  11341.50       270.0966 12011.39       
566.2538 11144.19       307.3087 238.9442 5.644634 230.3292 3.177950 8.614990 
6.477751 
1 1 1 -7  10  10 o 502.7027 6.117304  53249.94       1142.531 53525.16       
2211.287 53149.70       1334.456 502.9537 10.47220 502.4517 6.326025 0.5020142 
12.23461 
1 1 1 -7  10  11 o 265.7825 2.669352  14458.76       209.2131 15394.10       
559.5057 14306.72       225.5767 270.5452 4.925902 261.0198 2.058457 9.525452 
5.338704 
1 1 1 -7  10  12 o 296.6835 3.459900  18530.75       391.4084 18477.30       
725.1290 18552.72       464.9618 296.2542 5.830044 297.1129 3.727494 
-0.8586731     6.919799 
1 1 1 -7  10  13 o 121.1083 2.480976  3077.738       120.4732 3098.595       
203.4517 3066.475       149.5019 121.4030 3.991654 120.8137 2.947485 0.5893478 
4.961952 
1 1 1 -7  10  14 o 154.3212 2.428425  4985.856       150.7511 5073.949       
253.4126 4937.606       187.5452 155.3447 3.885553 153.2977 2.914013 2.047012 
4.856850 
1 1 1 -7  10  15 o 111.2118 2.417589  2621.898       111.3871 2448.471       
168.6502 2756.081       148.3463 107.9075 3.722685 114.5160 3.085541 -6.608536 
4.835178 
1 1 1 -7  10  16 o 395.7392 4.844591  33170.02       729.2287 32925.07       
1354.107 33270.09       865.4449 394.1399 8.183208 397.3385 5.187999 -3.198639 
9.689181 
1 1 1 -7  10  17 o 50.08983 2.908075  528.2474       60.37935 527.9165       
93.07338 528.4880       79.34004 50.06479 4.428067 50.11486 3.770917 
-0.5006790E-01 5.816149 
1 1 1 -7  10  18 o 271.0344 4.816748  15579.03       518.1781 15516.52       
890.7254 15611.00       637.0764 270.2128 7.851615 271.8560 5.581791 -1.643250 
9.633496 
1 1 1 -7  10  19 f 17.42366 4.642339  2.020675       52.76841 110.9528       
83.06808 -71.67628      68.32522 23.17213 7.497053 11.67519 5.477174 11.49694 
9.284678 
1 1 1 -7  10  20 o 44.09550 3.317204  426.1144       59.00767 335.7088       
90.59373 492.7307       77.76623 39.83624 5.416775 48.35477 3.830653 -8.518524 
6.634407 
1 1 1 -7  10  21 o 77.13062 2.468679  1251.079       78.71098 1264.033       
122.8239 1242.053       102.5322 77.44688 3.777462 76.81437 3.179353 0.6325073 
4.937358 
1 1 1 -7  10  22 o 70.04960 2.595110  995.4339       74.10718 1193.799       
124.0541 885.3665       92.40759 75.25603 3.926367 64.84316 3.394412 10.41287 
5.190220 
1 1 1 -7  10  23 o 74.19411 2.391010  1144.336       71.67599 1213.366       
120.3762 1106.419       89.21528 75.87575 3.778842 72.51247 2.930540 3.363281 
4.782020 
1 1 1 -7  10  24 o 108.7347 2.348337  2436.483       104.2201 2716.734       
172.2540 2274.649       130.8974 113.5242 3.614115 103.9453 2.999487 9.578835 
4.696674 
1 1 1 -7  10  25 o 86.56892 2.503946  1592.925       89.38551 1514.174       
138.2655 1649.469       117.1603 84.67194 3.889516 88.46591 3.154464 -3.793968 
5.007892 
1 1 1 -7  10  26 o 44.69512 3.662224  443.8443       65.36090 347.8131       
102.5715 509.4962       84.80940 40.33367 6.057315 49.05658 4.117825 -8.722904 
7.324448 
1 1 1 -7  10  27 o 56.07744 2.954142  658.2963       68.35091 713.2991       
108.8321 622.4703       87.83421 57.94337 4.473776 54.21151 3.859164 3.731857 
5.908284 
1 1 1 -7  10  28 o 90.64944 2.390138  1754.311       89.20968 1657.210       
138.3505 1823.417       116.7141 88.40258 3.727665 92.89631 2.992581 -4.493729 
4.780275 
1 1 1 -7  10  29 o 99.25410 2.510249  2098.831       103.7705 2032.213       
155.4864 2152.336       139.3443 97.75036 3.788743 100.7579 3.294058 -3.007500 
5.020497 
1 1 1 -7  10  30 o 22.71485 5.764701  97.99132       70.94848 143.8668       
105.5733 60.20961       95.80857 25.46829 8.454616 19.96141 7.838787 5.506874 
11.52940 
1 1 1 -7  10  31 o 93.43147 2.728712  1822.082       104.6793 2102.788       
170.7554 1653.072       132.4964 98.91597 4.111772 87.94698 3.588427 10.96899 
5.457424 
1 1 1 -7  10  32 o 18.55008 5.332570  27.84652       70.43504 -55.15033      
105.7834 93.94920       94.40525 15.57209 7.129207 21.52806 7.932188 -5.955976 
10.66514 
1 1 1 -7  10  33 o 129.3512 4.748807  3740.249       209.6622 3987.075       
457.2961 3674.555       235.9192 128.8296 8.454792 129.8727 4.326796 -1.043137 
9.497614 
1 1 1 -7  10  34 o 21.19066 5.906695  44.18612       85.04330 178.3906       
128.5121 -60.37239      113.4332 26.65489 9.309270 15.72643 7.272805 10.92847 
11.81339 
1 1 1 -7  10  35 o 18.10431 5.606645  9.152929       83.23605 -39.92156      
122.4275 51.33522       113.5053 16.74652 7.668014 19.46208 8.181653 -2.715559 
11.21329 
1 1 1 -7  10  36 o 23.82796 6.348530  150.6913       86.54485 147.3982       
127.6203 153.4952       117.7593 23.68321 9.099750 23.97271 8.854937 
-0.2894974     12.69706 
1 1 1 -7  10  37 f 34.97040 6.051961  360.4948       90.04829 274.0815       
138.1548 424.3221       118.7350 29.60549 9.671634 40.33531 7.277668 -10.72982 
12.10392 
1 1 1 -7  11  1  o 230.8164 3.043910  10765.03       201.4608 11799.93       
560.9765 10611.79       215.8610 236.8347 5.641835 224.7981 2.287192 12.03662 
6.087820 
1 1 1 -7  11  2  o 151.9380 2.355576  4832.106       149.9835 4543.889       
204.8369 5165.221       220.2144 147.0718 3.317415 156.8041 3.345101 -9.732285 
4.711151 
1 1 1 -7  11  3  o 213.8793 5.169458  9633.887       256.8862 9639.723       
887.6818 9633.354       268.3694 213.5997 9.898689 214.1588 2.984820 
-0.5591278     10.33892 
1 1 1 -7  11  4  o 105.8969 2.573778  2343.051       103.6443 2386.934       
193.9578 2325.512       122.6192 106.5676 4.335139 105.2262 2.775593 1.341415 
5.147557 
1 1 1 -7  11  5  o 289.1690 4.673597  17776.34       552.6920 16804.45       
874.7706 18422.08       713.0402 282.4226 7.377611 295.9153 5.739415 -13.49268 
9.347194 
1 1 1 -7  11  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  11  7  f 130.6249 2.560389  3575.329       135.9566 3623.770       
222.7304 3546.560       171.6436 131.3136 4.040087 129.9361 3.146435 1.377487 
5.120778 
1 1 1 -7  11  8  o 362.2484 4.430217  26911.91       562.7652 28928.61       
1206.542 26351.18       636.2098 370.4263 7.758215 354.0705 4.279881 16.35577 
8.860434 
1 1 1 -7  11  9  o 127.0543 2.100904  3252.506       101.0389 3710.930       
195.4904 3085.410       118.0254 132.8972 3.503731 121.2115 2.319278 11.68568 
4.201807 
1 1 1 -7  11  10 o 142.1282 2.619495  4186.523       145.8177 4406.750       
260.9521 4086.538       175.8305 144.7815 4.293077 139.4749 3.002750 5.306671 
5.238990 
1 1 1 -7  11  11 o 323.3083 4.844737  21761.57       583.8710 22619.85       
1133.713 21451.75       681.1490 327.2993 8.250475 319.3173 5.080902 7.982056 
9.689473 
1 1 1 -7  11  12 o 279.4844 3.803359  16556.12       417.7266 16114.05       
728.5104 16772.66       509.8723 276.5478 6.274608 282.4209 4.300170 -5.873077 
7.606719 
1 1 1 -7  11  13 o 60.71603 2.387172  775.0657       60.06876 772.9548       
92.60835 776.5987       78.92341 60.63879 3.637648 60.79328 3.092227 
-0.1544876     4.774343 
1 1 1 -7  11  14 o 93.39411 2.101459  1837.892       80.66930 1808.145       
127.3077 1857.850       104.2758 92.75067 3.269329 94.03755 2.641212 -1.286880 
4.202918 
1 1 1 -7  11  15 o 78.56895 1.964995  1268.276       62.81764 1411.752       
104.6744 1187.519       78.53119 81.95609 3.042149 75.18181 2.488000 6.774284 
3.929989 
1 1 1 -7  11  16 o 177.2495 2.583436  6643.364       187.3555 6451.898       
298.4683 6767.868       240.6818 175.0871 4.060366 179.4119 3.195309 -4.324829 
5.166873 
1 1 1 -7  11  17 o 203.3683 2.271902  8743.829       182.4051 8564.025       
315.8335 8833.819       223.4355 201.7242 3.729247 205.0124 2.595932 -3.288116 
4.543803 
1 1 1 -7  11  18 o 117.7721 2.143756  2960.340       103.6668 2685.405       
160.0979 3158.847       136.0372 112.9660 3.375663 122.5781 2.643418 -9.612137 
4.287512 
1 1 1 -7  11  19 o 80.02106 2.121801  1346.541       69.96392 1350.461       
110.1061 1343.886       90.60754 80.10178 3.274087 79.94035 2.699724 0.1614304 
4.243602 
1 1 1 -7  11  20 o 90.28149 2.204629  1677.652       81.33678 1876.490       
134.0499 1561.792       102.3257 94.40086 3.382296 86.16212 2.828716 8.238739 
4.409259 
1 1 1 -7  11  21 o 108.5056 2.429705  2466.004       106.7063 2529.541       
177.1443 2429.821       133.6808 109.5520 3.851482 107.4592 2.963099 2.092796 
4.859411 
1 1 1 -7  11  22 o 85.26738 2.515129  1568.717       87.84440 1283.848       
131.1390 1800.578       118.3106 78.03574 4.002757 92.49902 3.046544 -14.46328 
5.030258 
1 1 1 -7  11  23 o 37.50816 4.119102  307.1214       61.27614 282.4083       
96.99471 323.5354       79.04819 35.88744 6.686833 39.12889 4.811887 -3.241459 
8.238204 
1 1 1 -7  11  24 o 170.6330 2.401258  6125.229       161.7736 6166.225       
281.9535 6105.110       197.5201 170.9462 3.928612 170.3198 2.762278 0.6264343 
4.802517 
1 1 1 -7  11  25 o 201.7742 2.876184  8598.944       226.6466 8624.754       
402.8166 8586.989       274.1609 201.7393 4.755958 201.8091 3.235832 
-0.6980896E-01 5.752368 
1 1 1 -7  11  26 o 47.34439 3.322608  469.4438       65.29375 581.7999       
98.25088 380.5740       87.38065 52.37482 4.468225 42.31397 4.918725 10.06085 
6.645216 
1 1 1 -7  11  27 o 88.89757 2.142629  1689.219       78.68928 1528.392       
118.9769 1814.268       104.9122 85.03666 3.332557 92.75847 2.693975 -7.721809 
4.285259 
1 1 1 -7  11  28 o 86.52623 2.503376  1558.829       88.74015 1709.531       
144.7074 1467.997       112.3439 89.74850 3.840472 83.30396 3.212216 6.444550 
5.006751 
1 1 1 -7  11  29 o 66.63466 3.321301  927.6090       90.81471 1062.204       
148.2859 846.8278       114.8790 70.30887 5.023552 62.96044 4.346042 7.348427 
6.642601 
1 1 1 -7  11  30 f 67.96163 2.990949  991.5818       84.54665 976.2664       
127.9934 1003.437       112.6120 67.39526 4.523550 68.52801 3.914153 -1.132751 
5.981897 
1 1 1 -7  11  31 o 37.06800 4.408162  306.7523       66.63993 359.4197       
97.65100 260.8451       91.16875 40.43716 5.751976 33.69883 6.681491 6.738335 
8.816323 
1 1 1 -7  11  32 o 125.7857 3.455303  3449.742       180.3967 3505.863       
277.4258 3408.629       237.4521 126.3092 5.231579 125.2622 4.515203 1.047058 
6.910606 
1 1 1 -7  11  33 o 45.93192 4.289468  493.1593       77.57964 371.2224       
113.5859 599.7805       106.2132 39.64000 7.080318 52.22383 4.844298 -12.58384 
8.578936 
1 1 1 -7  11  34 o 25.18826 6.341912  152.9085       86.36096 106.2312       
127.5222 192.4521       117.3737 22.87484 9.024246 27.50168 8.913046 -4.626839 
12.68382 
1 1 1 -7  11  35 o 59.65146 5.976272  822.1846       149.6685 822.1846       
149.6685 0.000000       0.000000 59.65146 5.976272 ?        ?        ? ? 
1 1 1 -7  11  36 o 35.84542 6.004445  358.9077       96.02170 217.2634       
138.1675 491.2253       133.5411 27.27358 9.640077 44.41727 7.161171 -17.14369 
12.00889 
1 1 1 -7  11  37 o 24.71949 6.305840  178.3764       85.69064 136.3729       
127.7300 212.7528       115.5527 22.55939 8.989837 26.87959 8.845186 -4.320204 
12.61168 
1 1 1 -7  12  1  o 65.63182 3.448055  1002.642       78.42106 732.1747       
153.6779 1097.869       91.18734 58.97029 6.207248 72.29335 3.004396 -13.32306 
6.896109 
1 1 1 -7  12  2  o 146.6236 4.212929  4522.118       197.0406 4529.529       
470.9910 4520.546       216.9371 146.5685 7.654082 146.6787 3.522800 
-0.1102142     8.425858 
1 1 1 -7  12  3  o 77.81232 3.216782  1195.747       83.92839 1403.839       
195.2701 1148.595       92.95209 81.67880 5.694392 73.94585 2.994101 7.732956 
6.433563 
1 1 1 -7  12  4  o 317.9338 9.076392  21348.81       1211.515 0.000000       
0.000000 21348.81       1211.515 ?        ?        317.9338 9.076392 ? ? 
1 1 1 -7  12  5  o 329.8890 16.97052  23336.13       2350.402 23336.13       
2350.402 0.000000       0.000000 329.8890 16.97052 ?        ?        ? ? 
1 1 1 -7  12  6  o 287.2305 3.812491  17125.19       383.7498 17778.99       
816.7847 16939.98       434.7173 290.5300 6.696343 283.9310 3.646827 6.598969 
7.624982 
1 1 1 -7  12  7  o 118.3330 2.153957  2862.333       100.0789 3163.096       
180.1492 2728.079       120.3602 122.6944 3.497267 113.9716 2.515401 8.722710 
4.307914 
1 1 1 -7  12  8  o 211.1121 3.106145  9350.762       258.7089 9427.425       
451.8571 9313.375       315.5477 211.6986 5.083985 210.5256 3.570106 1.172928 
6.212291 
1 1 1 -7  12  9  o 476.8441 5.970167  47354.31       982.0797 49196.92       
2135.124 46859.87       1106.023 481.8396 10.55460 471.8486 5.583192 9.990997 
11.94033 
1 1 1 -7  12  10 o 154.2240 2.030221  4941.633       119.0544 5126.071       
223.8099 4868.848       140.5968 156.1852 3.413191 152.2628 2.199391 3.922348 
4.060442 
1 1 1 -7  12  11 o 281.5252 4.361480  16694.24       478.4805 16711.57       
853.7863 16686.30       577.7304 281.4383 7.225819 281.6122 4.886467 
-0.1738892     8.722960 
1 1 1 -7  12  12 o 35.62938 3.279984  269.8636       46.89917 257.4294       
77.92767 276.9248       58.72492 34.96659 5.308349 36.29216 3.854168 -1.325573 
6.559968 
1 1 1 -7  12  13 o 196.8418 3.661946  8158.680       291.6252 8162.035       
481.6945 8156.738       366.4049 196.7906 5.830268 196.8930 4.432534 
-0.1024323     7.323891 
1 1 1 -7  12  14 o 72.00345 2.321469  1059.805       68.39671 1221.715       
112.7776 965.6055       86.02246 76.22552 3.524060 67.78138 3.022891 8.444145 
4.642938 
1 1 1 -7  12  15 o 202.1181 3.475632  8422.838       272.7592 9089.410       
498.7067 8138.338       325.8085 207.5700 5.722710 196.6662 3.945969 10.90375 
6.951264 
1 1 1 -7  12  16 o 127.2357 2.583049  3424.497       134.7876 3318.856       
213.1891 3494.847       173.9713 125.5586 4.044263 128.9127 3.214422 -3.354073 
5.166098 
1 1 1 -7  12  17 o 138.5871 2.810873  4061.691       161.0628 3942.658       
248.5385 4147.871       211.4777 136.7884 4.327784 140.3859 3.588080 -3.597534 
5.621746 
1 1 1 -7  12  18 o 214.6348 2.845492  9584.878       234.3432 10007.71       
434.2681 9411.168       278.3492 217.7740 4.749774 211.4957 3.134798 6.278381 
5.690985 
1 1 1 -7  12  19 o 135.2748 2.575488  3715.851       136.5644 4239.528       
248.1597 3488.371       163.5577 141.7928 4.168675 128.7567 3.025673 13.03607 
5.150976 
1 1 1 -7  12  20 o 330.4804 4.924215  23243.92       650.0220 23193.51       
1102.927 23270.75       804.6121 329.5302 7.972099 331.4305 5.782493 -1.900330 
9.848431 
1 1 1 -7  12  21 o 146.4536 2.340933  4576.655       139.5824 4250.866       
222.3766 4788.460       179.3041 142.0368 3.729146 150.8705 2.830785 -8.833740 
4.681867 
1 1 1 -7  12  22 o 191.1764 3.429144  7801.138       267.9725 7351.675       
424.1611 8099.700       345.7016 186.3941 5.420255 195.9587 4.202017 -9.564651 
6.858288 
1 1 1 -7  12  23 o 111.4638 2.381275  2518.426       104.7622 2903.295       
188.1628 2345.526       126.1175 117.3496 3.819208 105.5781 2.845265 11.77152 
4.762550 
1 1 1 -7  12  24 o 63.83752 2.537947  861.6795       67.08280 845.2656       
103.3007 873.6493       88.21435 63.28503 3.887972 64.39001 3.263186 -1.104973 
5.075895 
1 1 1 -7  12  25 o 248.3249 3.289838  12990.01       304.9862 13242.20       
587.4736 12896.96       356.8409 249.4292 5.609991 247.2205 3.438042 2.208664 
6.579675 
1 1 1 -7  12  26 o 29.42825 5.083088  195.1651       60.31807 185.1330       
102.1772 200.5311       74.72845 28.77496 8.110429 30.08154 6.129606 -1.306580 
10.16618 
1 1 1 -7  12  27 o 16.80021 4.884792  19.74183       53.66153 38.47325       
88.79829 8.966199       67.35046 18.56827 7.458412 15.03215 6.310061 3.536116 
9.769585 
1 1 1 -7  12  28 o 78.48807 2.646929  1253.663       84.30115 1516.178       
143.0719 1114.051       104.3368 84.45558 4.035033 72.52056 3.426869 11.93502 
5.293858 
1 1 1 -7  12  29 o 41.13307 4.565209  395.0992       69.42152 321.4662       
120.9274 431.2945       84.78423 37.37485 7.945279 44.89130 4.498565 -7.516449 
9.130418 
1 1 1 -7  12  30 o 43.90179 3.892265  418.3615       71.63682 403.6461       
98.15454 435.1337       104.7902 43.09959 5.424482 44.70399 5.583360 -1.604393 
7.784530 
1 1 1 -7  12  31 o 61.42480 3.437894  816.3352       88.30641 850.4515       
131.8535 788.5859       118.9146 62.51554 5.023714 60.33405 4.694547 2.181484 
6.875789 
1 1 1 -7  12  32 o 28.72231 5.855955  199.6305       74.32838 199.4374       
109.3019 199.7967       101.3773 28.67336 8.489113 28.77126 8.068692 
-0.9789658E-01 11.71191 
1 1 1 -7  12  33 o 43.05494 4.519866  432.0158       78.06178 366.8470       
115.0135 487.6772       106.2934 39.29296 7.243750 46.81691 5.407851 -7.523949 
9.039733 
1 1 1 -7  12  34 o 90.00179 2.937165  1765.613       109.5748 1804.791       
169.5690 1737.524       143.5783 90.58349 4.458805 89.42008 3.824501 1.163406 
5.874329 
1 1 1 -7  12  35 o 65.67659 3.879274  971.7690       106.3467 1116.795       
160.1678 857.4236       142.2205 70.04683 5.446378 61.30635 5.525580 8.740475 
7.758548 
1 1 1 -7  12  36 o 71.28107 7.708174  1298.163       230.6772 1298.163       
230.6772 0.000000       0.000000 71.28107 7.708174 ?        ?        ? ? 
1 1 1 -7  12  37 o 19.20161 5.818685  51.68864       87.76041 -24.43409      
128.0824 119.0534       120.4893 16.73805 7.735873 21.66517 8.693942 -4.927124 
11.63737 
1 1 1 -7  13  1  o 220.1668 6.143433  9704.260       394.3443 11019.25       
1083.863 9503.631       423.3595 227.7777 11.33403 212.5558 4.744138 15.22188 
12.28687 
1 1 1 -7  13  2  o 365.6280 4.420310  28111.35       678.5331 0.000000       
0.000000 28111.35       678.5331 ?        ?        365.6280 4.420310 ? ? 
1 1 1 -7  13  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  13  4  o 292.0439 6.884757  17539.36       708.7365 19002.79       
1509.673 17125.64       802.6898 299.0137 12.02577 285.0740 6.706735 13.93964 
13.76951 
1 1 1 -7  13  5  o 126.9891 2.270073  3424.328       114.1573 3277.798       
195.2903 3500.386       140.6993 124.8839 3.724736 129.0943 2.596009 -4.210411 
4.540145 
1 1 1 -7  13  6  o 212.5338 2.698699  9419.952       217.5383 9667.275       
409.5930 9322.778       256.7418 214.4046 4.550294 210.6629 2.902883 3.741745 
5.397398 
1 1 1 -7  13  7  o 124.8075 2.049684  3236.060       103.2786 3402.605       
173.4837 3144.633       128.5379 127.2553 3.247161 122.3597 2.502152 4.895576 
4.099369 
1 1 1 -7  13  8  o 227.3819 2.490922  10590.10       196.5968 11358.98       
427.4829 10383.86       221.3993 232.4117 4.381086 222.3521 2.371679 10.05957 
4.981845 
1 1 1 -7  13  9  o 245.9909 2.789483  12720.25       260.2149 12725.13       
486.9778 12718.30       307.8500 245.9439 4.716221 246.0379 2.980288 
-0.9400940E-01 5.578966 
1 1 1 -7  13  10 o 88.46183 2.399749  1633.559       86.24570 1688.215       
142.1403 1601.711       108.5013 89.61240 3.778071 87.31126 2.959960 2.301132 
4.799498 
1 1 1 -7  13  11 o 23.92853 4.560114  124.7904       46.46547 123.1707       
71.96918 125.9481       60.84654 23.87860 6.831394 23.97846 6.042400 
-0.9986115E-01 9.120228 
1 1 1 -7  13  12 o 213.9537 3.799015  9650.173       327.3209 9617.907       
545.9504 9668.279       408.9761 213.5675 6.088903 214.3400 4.544811 
-0.7724915     7.598030 
1 1 1 -7  13  13 o 152.0970 2.273568  4871.849       137.5982 4834.847       
235.3072 4891.076       169.6217 151.6231 3.696501 152.5709 2.648079 
-0.9477539     4.547136 
1 1 1 -7  13  14 o 243.2119 4.012512  12439.78       386.6302 12592.57       
670.1253 12363.54       473.3603 244.1344 6.538049 242.2895 4.653484 1.844833 
8.025023 
1 1 1 -7  13  15 o 145.4370 2.670331  4450.491       156.1657 4453.104       
261.6205 4449.045       194.6467 145.4188 4.285210 145.4551 3.187419 
-0.3627014E-01 5.340662 
1 1 1 -7  13  16 o 87.32944 2.289156  1607.650       81.80265 1588.660       
130.8843 1619.823       104.7912 86.88490 3.588097 87.77397 2.843677 
-0.8890686     4.578312 
1 1 1 -7  13  17 o 83.71582 2.124968  1479.260       73.84688 1438.354       
112.3779 1510.349       97.96909 82.68017 3.237432 84.75148 2.753359 -2.071312 
4.249935 
1 1 1 -7  13  18 o 25.27482 4.017394  88.73197       54.99754 302.1813       
87.69032 -49.66998      70.61150 37.79689 5.526073 12.75275 5.832694 25.04415 
8.034787 
1 1 1 -7  13  19 o 93.28828 2.393621  1842.205       92.89239 1752.727       
139.1917 1914.060       124.7336 91.21294 3.634778 95.36362 3.115457 -4.150688 
4.787242 
1 1 1 -7  13  20 o 164.4025 2.978128  5603.318       187.5017 5940.303       
349.8232 5467.483       222.0994 167.6551 4.969959 161.1498 3.282756 6.505341 
5.956256 
1 1 1 -7  13  21 o 135.5136 2.341599  3897.063       131.4698 3654.124       
199.2583 4084.357       174.9560 131.7069 3.603537 139.3203 2.991132 -7.613388 
4.683198 
1 1 1 -7  13  22 o 30.73582 4.363482  229.8233       55.66771 84.48880       
84.73026 340.2009       73.84049 21.32214 7.547852 40.14951 4.380619 -18.82736 
8.726963 
1 1 1 -7  13  23 o 184.2193 2.765340  7150.359       206.1744 7186.703       
340.6125 7129.341       259.0151 184.4724 4.397950 183.9662 3.353575 0.5061188 
5.530681 
1 1 1 -7  13  24 o 217.4731 3.326568  10016.39       280.2854 10001.04       
504.7721 10023.23       337.0155 216.9984 5.540640 217.9478 3.683142 
-0.9494171     6.653136 
1 1 1 -7  13  25 o 164.3214 2.549870  5670.088       164.9865 5797.451       
290.1002 5609.198       200.5843 165.5070 4.174964 163.1358 2.928658 2.371155 
5.099741 
1 1 1 -7  13  26 o 75.44031 2.390398  1187.809       74.39881 1278.602       
118.3729 1128.525       95.65294 77.75818 3.625994 73.12244 3.115794 4.635742 
4.780796 
1 1 1 -7  13  27 o 51.45205 3.136406  573.7245       64.64941 524.7797       
106.3833 602.3840       81.40554 49.56961 5.111863 53.33449 3.635523 -3.764877 
6.272812 
1 1 1 -7  13  28 o 115.9184 3.064875  2822.326       141.6210 2995.404       
244.8786 2735.345       173.5973 118.2942 4.930697 113.5425 3.641712 4.751686 
6.129751 
1 1 1 -7  13  29 o 96.33675 2.822533  1979.456       109.6421 1978.764       
182.2726 1979.848       137.2496 96.11089 4.517205 96.56261 3.385504 
-0.4517212     5.645067 
1 1 1 -7  13  30 o 65.32007 3.209259  900.2034       86.41598 1013.112       
138.7191 828.5985       110.4701 68.49580 4.823846 62.14434 4.234132 6.351460 
6.418517 
1 1 1 -7  13  31 o 94.72388 2.932750  1937.727       116.2446 1806.824       
167.0542 2060.615       161.8584 91.49488 4.348923 97.95287 3.935854 -6.457985 
5.865499 
1 1 1 -7  13  32 o 35.33708 4.963415  285.2072       70.08800 341.1010       
111.1428 248.3047       90.30818 38.11274 7.208423 32.56142 6.824998 5.551311 
9.926830 
1 1 1 -7  13  33 o 51.65949 3.870418  604.0508       82.43496 520.3760       
122.2569 673.8088       111.6280 47.97992 6.069249 55.33906 4.804659 -7.359135 
7.740835 
1 1 1 -7  13  34 o 33.41486 5.288270  264.2018       75.62052 394.5508       
114.4340 163.1541       100.7545 41.21215 6.613797 25.61757 8.253538 15.59457 
10.57654 
1 1 1 -7  13  35 o 35.59531 5.171662  315.1361       74.83696 287.9224       
115.8891 334.6019       98.01345 33.28451 8.309831 37.90610 6.158822 -4.621590 
10.34332 
1 1 1 -7  13  36 o 15.39625 4.912822  -8.419240      65.88493 -97.67470      
126.3974 24.87912       77.20264 15.10277 7.207368 15.68972 6.678107 
-0.5869474     9.825644 
1 1 1 -7  14  1  o 107.3347 5.305672  2425.987       239.0889 0.000000       
0.000000 2425.987       239.0889 ?        ?        107.3347 5.305672 ? ? 
1 1 1 -7  14  2  o 289.9240 10.53693  17855.02       1282.559 17855.02       
1282.559 0.000000       0.000000 289.9240 10.53693 ?        ?        ? ? 
1 1 1 -7  14  3  o 180.9925 5.759861  6667.321       354.6996 7369.737       
797.3445 6494.024       396.0449 186.3628 10.19079 175.6221 5.371385 10.74066 
11.51972 
1 1 1 -7  14  4  o 60.08582 2.723895  747.0624       62.11379 786.9688       
117.5532 731.6052       73.16091 61.16257 4.577934 59.00908 2.953122 2.153500 
5.447790 
1 1 1 -7  14  5  o 259.5709 4.351596  13886.34       355.4401 14675.76       
875.5364 13730.56       388.9322 263.5619 7.912480 255.5798 3.624669 7.982071 
8.703193 
1 1 1 -7  14  6  o 126.6125 2.465385  3337.876       123.7452 3464.410       
215.5746 3275.693       151.1230 128.3602 4.000260 124.8649 2.882780 3.495361 
4.930770 
1 1 1 -7  14  7  o 154.0075 2.626203  4896.813       154.3197 5199.854       
289.9727 4777.071       182.2759 157.2273 4.392890 150.7877 2.879284 6.439606 
5.252406 
1 1 1 -7  14  8  o 161.0972 2.507680  5387.917       157.3565 5635.277       
284.0802 5278.427       189.0004 163.6919 4.133660 158.5025 2.840192 5.189438 
5.015360 
1 1 1 -7  14  9  o 219.6514 3.568137  9954.134       306.3496 10711.20       
552.9404 9618.821       367.9911 225.4482 5.841880 213.8547 4.098639 11.59352 
7.136274 
1 1 1 -7  14  10 o 297.5552 3.411304  18641.28       371.4861 18632.84       
735.1956 18644.17       430.4838 297.3039 5.890109 297.8065 3.443053 
-0.5025635     6.822609 
1 1 1 -7  14  11 o 77.92587 2.195079  1281.007       71.01351 1243.408       
107.9803 1309.662       94.26722 76.90669 3.344270 78.94505 2.844178 -2.038361 
4.390159 
1 1 1 -7  14  12 o 95.57690 2.008521  1910.129       78.54198 1962.318       
126.9204 1877.740       99.98647 96.61787 3.128925 94.53593 2.519216 2.081947 
4.017042 
1 1 1 -7  14  13 f 100.0931 2.167695  2084.468       87.68923 2185.309       
146.8284 2028.559       109.3279 101.9368 3.430837 98.24942 2.650465 3.687393 
4.335390 
1 1 1 -7  14  14 o 92.96973 2.164704  1834.591       83.04923 1715.045       
127.5263 1922.627       109.4368 90.29915 3.363855 95.64030 2.725483 -5.341148 
4.329409 
1 1 1 -7  14  15 o 134.8718 2.633008  3816.000       144.5207 3880.839       
236.2534 3777.228       182.6889 135.7406 4.145620 134.0031 3.247271 1.737503 
5.266016 
1 1 1 -7  14  16 o 168.6961 3.033779  5892.071       199.3183 6280.937       
361.4035 5722.087       238.9429 172.5056 4.990110 164.8866 3.451676 7.619080 
6.067558 
1 1 1 -7  14  17 f 208.1670 2.669665  9177.066       221.6159 8970.167       
375.7046 9287.470       274.4469 206.2418 4.339012 210.0922 3.111498 -3.850372 
5.339330 
1 1 1 -7  14  18 o 91.15559 2.074754  1712.878       76.61121 1880.227       
128.7717 1621.192       95.31467 94.50880 3.245408 87.80238 2.585679 6.706421 
4.149507 
1 1 1 -7  14  19 o 266.9710 3.393377  14972.04       328.3819 15224.59       
661.7390 14889.53       378.2396 268.0344 5.880540 265.9076 3.388109 2.126801 
6.786755 
1 1 1 -7  14  20 o 294.4370 3.210517  18414.60       362.5662 18013.96       
661.4121 18586.70       433.5013 291.7961 5.399005 297.0779 3.475691 -5.281799 
6.421035 
1 1 1 -7  14  21 o 70.35497 2.619889  1014.879       75.56007 1170.723       
123.9048 922.6086       95.33945 74.52054 3.960347 66.18940 3.430878 8.331139 
5.239779 
1 1 1 -7  14  22 o 24.37422 4.599883  123.5417       58.23134 -8.013307      
86.74628 231.4482       78.56351 16.21635 6.994957 32.53209 5.975472 -16.31574 
9.199766 
1 1 1 -7  14  23 o 141.3614 2.692628  4217.253       151.2117 4209.773       
259.7383 4221.088       185.9769 141.1541 4.382922 141.5687 3.129052 
-0.4146118     5.385255 
1 1 1 -7  14  24 o 54.02161 3.251415  616.5728       72.52557 625.7579       
113.6890 610.2700       94.17746 54.31886 4.985273 53.72436 4.175388 0.5945053 
6.502831 
1 1 1 -7  14  25 o 47.93772 3.658374  517.7089       69.22482 372.7081       
107.6139 620.0638       90.41439 41.74172 6.140720 54.13372 3.978237 -12.39200 
7.316749 
1 1 1 -7  14  26 o 24.89174 5.171005  138.5381       63.22312 44.75072       
99.58363 201.8658       81.83002 19.73384 7.910086 30.04964 6.662409 -10.31580 
10.34201 
1 1 1 -7  14  27 o 54.67455 2.939308  628.3843       65.25449 661.4312       
108.0550 609.4138       81.86906 55.71701 4.619320 53.63210 3.635934 2.084904 
5.878617 
1 1 1 -7  14  28 o 33.44666 5.536668  245.5385       74.25185 302.9707       
124.2195 213.6097       92.61976 36.26918 8.328747 30.62415 7.297311 5.645029 
11.07334 
1 1 1 -7  14  29 o 25.63229 5.998725  142.0498       72.38494 152.5790       
124.5590 136.6808       88.94564 26.56412 9.175721 24.70045 7.729487 1.863670 
11.99745 
1 1 1 -7  14  30 o 23.82426 5.953485  120.2304       72.64869 104.9081       
123.6754 128.3028       89.76881 23.69034 8.999784 23.95818 7.796140 
-0.2678432     11.90697 
1 1 1 -7  14  31 o 63.73030 3.106835  871.6312       82.52853 1030.725       
121.9261 737.1089       112.1160 69.13840 4.200476 58.32221 4.578832 10.81619 
6.213670 
1 1 1 -7  14  32 o 38.73981 4.449354  342.7733       69.35246 264.8509       
96.06483 427.5921       100.2258 33.51216 7.050267 43.96747 5.429617 -10.45531 
8.898708 
1 1 1 -7  14  33 f 27.94207 5.559875  190.8300       75.90030 74.97491       
110.3562 294.8284       104.5569 20.88241 8.345047 35.00172 7.349083 -14.11931 
11.11975 
1 1 1 -7  14  34 o 24.90857 5.639462  131.0948       72.72272 253.7371       
112.3599 42.68268       95.39974 31.54227 8.351642 18.27487 7.580516 13.26740 
11.27892 
1 1 1 -7  14  35 o 20.59649 5.656434  86.46917       72.54984 36.75097       
111.7811 122.6566       95.36514 18.67572 7.994966 22.51727 8.003842 -3.841549 
11.31287 
1 1 1 -7  14  36 o 33.43915 5.591601  293.5471       76.87312 345.9046       
117.6355 254.5233       101.5579 36.01482 7.990771 30.86347 7.823784 5.151354 
11.18320 
1 1 1 -7  15  1  o 109.7298 3.986197  2554.057       182.5084 2299.709       
263.2792 2789.353       253.2261 104.4062 6.006360 115.0534 5.242397 -10.64725 
7.972395 
1 1 1 -7  15  2  o 49.54976 3.700641  440.6579       65.12339 670.3622       
146.5724 384.1583       72.69260 56.36712 6.193662 42.73240 4.051856 13.63472 
7.401282 
1 1 1 -7  15  3  o 101.6411 2.994033  2051.167       94.39101 2359.524       
241.6132 1995.627       102.5398 105.8190 5.438485 97.46306 2.505955 8.355988 
5.988066 
1 1 1 -7  15  4  o 142.7435 2.753370  4182.656       121.9134 4439.400       
306.2039 4134.290       132.9014 145.1938 5.023236 140.2932 2.256388 4.900620 
5.506741 
1 1 1 -7  15  5  o 328.6270 4.688210  22407.18       499.6349 23411.36       
1180.800 22188.18       551.4321 332.4713 8.459468 324.7826 4.044086 7.688782 
9.376419 
1 1 1 -7  15  6  o 156.9611 2.273575  5054.793       135.6020 5468.563       
257.6756 4896.314       159.4700 161.2565 3.806073 152.6656 2.488048 8.590836 
4.547150 
1 1 1 -7  15  7  o 441.5009 6.095606  41214.98       1041.394 41543.95       
1883.813 41070.20       1249.714 441.9623 10.15251 441.0394 6.749230 0.9229126 
12.19121 
1 1 1 -7  15  8  o 232.2780 3.034151  11286.45       270.2814 11517.32       
498.6513 11190.41       321.6249 233.8371 5.079308 230.7188 3.320380 3.118347 
6.068302 
1 1 1 -7  15  9  o 175.3951 2.375850  6522.990       170.9644 6194.802       
268.5708 6746.585       221.6810 171.6229 3.727388 179.1673 2.947073 -7.544357 
4.751701 
1 1 1 -7  15  10 o 48.82250 2.753627  484.1893       55.42995 628.5460       
87.85478 388.7234       71.44487 54.66153 3.828289 42.98347 3.959047 11.67806 
5.507254 
1 1 1 -7  15  11 o 211.0586 3.587547  9290.580       293.9453 9644.831       
532.8369 9135.607       352.4234 213.7652 5.937153 208.3519 4.028918 5.413376 
7.175093 
1 1 1 -7  15  12 o 255.6027 4.374132  13743.79       444.8482 13989.16       
765.2526 13618.56       546.7095 257.0608 7.090715 254.1445 5.123856 2.916275 
8.748264 
1 1 1 -7  15  13 o 226.9085 2.881518  10599.11       224.9212 11266.32       
493.9250 10424.55       252.6354 231.1202 5.090309 222.6968 2.702100 8.423416 
5.763036 
1 1 1 -7  15  14 o 193.4771 2.438333  7758.049       174.5889 8128.667       
343.6157 7629.075       202.7034 196.4386 4.166460 190.5156 2.534262 5.922989 
4.876666 
1 1 1 -7  15  15 o 104.2317 2.128921  2281.289       90.67570 2302.209       
146.3970 2268.267       115.4973 104.5950 3.333822 103.8684 2.648557 0.7265549 
4.257843 
1 1 1 -7  15  16 o 125.1108 2.278759  3116.799       106.5529 3686.327       
212.0268 2924.365       123.2465 132.2813 3.817801 117.9402 2.489049 14.34109 
4.557518 
1 1 1 -7  15  17 o 59.27708 2.645672  732.4541       64.68519 781.3308       
102.8464 700.4657       83.20216 60.87861 4.023883 57.67555 3.436085 3.203064 
5.291344 
1 1 1 -7  15  18 o 128.2917 2.468465  3386.660       124.3891 3691.195       
223.0530 3249.204       149.8546 132.3117 4.015418 124.2716 2.872231 8.040115 
4.936931 
1 1 1 -7  15  19 o 64.36958 2.665265  867.9114       71.04578 904.0114       
110.9251 842.8021       92.51095 65.47968 4.035009 63.25947 3.483282 2.220203 
5.330530 
1 1 1 -7  15  20 o 46.64867 3.319773  452.7253       64.14715 500.0366       
101.0064 420.7448       83.04416 48.64583 4.945660 44.65152 4.429900 3.994312 
6.639546 
1 1 1 -7  15  21 o 160.4200 2.586796  5360.920       160.8731 5582.712       
292.5723 5264.802       192.6027 162.6595 4.284250 158.1806 2.900216 4.478912 
5.173592 
1 1 1 -7  15  22 o 208.5566 3.246312  9113.985       266.4508 9410.582       
470.0787 8973.584       323.4252 210.8052 5.311416 206.3081 3.734038 4.497162 
6.492625 
1 1 1 -7  15  23 o 63.34900 2.546100  826.1265       65.71990 929.3292       
109.2756 767.6456       82.25913 66.34510 3.923156 60.35290 3.246437 5.992199 
5.092200 
1 1 1 -7  15  24 o 40.48790 3.920381  342.9532       65.57006 381.5809       
104.3680 317.7642       84.27977 42.30475 5.876235 38.67105 5.191089 3.633698 
7.840762 
1 1 1 -7  15  25 o 75.59753 2.565866  1196.750       79.65022 1262.117       
128.0888 1155.539       101.7053 77.21512 3.951207 73.97994 3.274542 3.235176 
5.131731 
1 1 1 -7  15  26 o 73.52397 2.483822  1141.971       74.16968 1149.824       
121.5215 1137.308       93.63226 73.65405 3.929866 73.39389 3.038692 0.2601547 
4.967645 
1 1 1 -7  15  27 o 62.10183 2.836280  813.2994       73.08191 857.5604       
113.5300 781.9808       95.49969 63.48693 4.259387 60.71673 3.746404 2.770203 
5.672559 
1 1 1 -7  15  28 o 105.3905 2.987739  2393.370       128.3181 2264.496       
204.8121 2476.642       164.6353 102.8106 4.745029 107.9704 3.631947 -5.159798 
5.975478 
1 1 1 -7  15  29 o 39.53860 5.010235  367.7608       76.38718 299.6625       
126.1543 407.1813       95.98299 35.70368 8.522128 43.37353 5.270971 -7.669846 
10.02047 
1 1 1 -7  15  30 o 17.09086 5.168399  11.01963       63.82220 2.094322       
106.9593 15.95449       79.53247 17.88204 7.741012 16.29967 6.850264 1.582375 
10.33680 
1 1 1 -7  15  31 o 112.4879 2.863990  2688.216       130.0694 2864.234       
218.7242 2591.914       161.7844 114.9333 4.532857 110.0425 3.501850 4.890816 
5.727979 
1 1 1 -7  15  32 o 48.22411 3.656201  512.5319       73.64131 447.8483       
102.4501 581.6790       105.9259 44.95914 5.427698 51.48909 4.900136 -6.529953 
7.312402 
1 1 1 -7  15  33 f 22.82869 6.007694  113.4942       77.25120 101.7147       
115.1107 123.1468       104.2015 22.38114 8.632972 23.27623 8.357114 
-0.8950920     12.01539 
1 1 1 -7  15  34 o 54.26356 3.804453  665.1117       86.44903 629.7935       
124.1502 698.3552       120.4485 52.69844 5.611395 55.82868 5.138842 -3.130238 
7.608906 
1 1 1 -7  15  35 o 38.73470 5.093157  362.0323       80.26583 474.9321       
121.4228 274.4070       106.9716 44.81190 6.453985 32.65749 7.880804 12.15441 
10.18631 
1 1 1 -7  15  36 o 19.49143 5.646516  66.88738       74.06664 123.5901       
113.7879 25.20002       97.56552 22.08999 8.570251 16.89287 7.354140 5.197121 
11.29303 
1 1 1 -7  16  1  o 43.79924 4.188564  366.7405       73.20822 553.2802       
130.0066 280.1243       88.58895 51.17526 6.050991 36.42321 5.793252 14.75205 
8.377128 
1 1 1 -7  16  2  o 234.2997 7.348710  11269.26       572.1090 12509.13       
1325.499 10985.39       634.2275 240.6733 13.11815 227.9260 6.627844 12.74731 
14.69742 
1 1 1 -7  16  3  o 80.96960 3.193179  1368.140       82.94066 1400.389       
197.8699 1361.266       91.35351 81.45840 5.785820 80.48080 2.703672 0.9776001 
6.386357 
1 1 1 -7  16  4  o 158.8723 3.520035  5016.484       183.5783 5814.971       
437.7982 4846.133       202.2149 165.9239 6.284723 151.8206 3.172513 14.10324 
7.040070 
1 1 1 -7  16  5  o 38.36437 3.329140  311.1024       52.34182 304.9534       
83.21067 315.1285       67.33082 38.03482 5.210971 38.69392 4.144692 
-0.6590919     6.658280 
1 1 1 -7  16  6  o 168.8851 2.834877  6023.178       200.0857 5739.730       
293.1213 6270.480       273.7941 165.1281 4.228121 172.6421 3.777447 -7.513962 
5.669755 
1 1 1 -7  16  7  o 280.4144 4.021372  16597.19       444.5814 16568.87       
775.3232 16611.06       542.6584 279.9919 6.595661 280.8368 4.602498 
-0.8448792     8.042745 
1 1 1 -7  16  8  o 219.7854 3.850218  10211.80       343.8360 10094.92       
560.2565 10282.41       435.4944 218.6407 6.103472 220.9302 4.695141 -2.289520 
7.700437 
1 1 1 -7  16  9  o 58.59941 2.386803  732.0106       57.53789 666.7689       
88.46806 779.8383       75.74675 56.29298 3.743289 60.90584 2.962280 -4.612862 
4.773606 
1 1 1 -7  16  10 o 218.0644 2.944190  9957.085       236.7569 10128.36       
465.1468 9897.197       275.0525 219.1663 5.055189 216.9625 3.019618 2.203812 
5.888381 
1 1 1 -7  16  11 o 115.6092 2.062008  2825.605       96.22085 2752.843       
158.7319 2867.875       120.9832 114.4002 3.304899 116.8183 2.466809 -2.418015 
4.124016 
1 1 1 -7  16  12 o 158.0934 2.380934  5160.682       144.9120 5502.643       
268.3359 5019.890       172.1782 161.6545 3.953777 154.5322 2.653874 7.122299 
4.761869 
1 1 1 -7  16  13 o 205.9343 3.270734  8894.878       266.1857 9086.445       
464.7082 8801.332       324.7380 207.4199 5.336432 204.4486 3.783293 2.971283 
6.541468 
1 1 1 -7  16  14 o 151.6450 3.040817  4834.686       185.5610 4894.871       
311.2030 4801.483       231.1469 152.2841 4.867549 151.0059 3.645990 1.278198 
6.081634 
1 1 1 -7  16  15 o 97.75209 2.067896  1994.160       83.29424 2091.569       
132.4205 1930.387       107.1454 99.69382 3.163792 95.81036 2.663680 3.883453 
4.135792 
1 1 1 -7  16  16 o 189.4510 3.271974  7585.130       246.2616 7552.830       
422.6812 7601.727       302.9995 188.9703 5.327708 189.9317 3.799841 
-0.9614105     6.543949 
1 1 1 -7  16  17 o 50.84086 2.902597  537.3833       61.12036 590.8755       
96.22675 501.2076       79.13329 52.91833 4.331225 48.76339 3.865328 4.154934 
5.805193 
1 1 1 -7  16  18 o 101.7556 1.999710  2182.764       83.28002 2157.774       
133.1888 2198.808       106.7143 101.2513 3.133200 102.2599 2.485641 -1.008591 
3.999419 
1 1 1 -7  16  19 o 25.85709 5.049420  132.6532       58.56466 221.4828       
92.96696 74.20943       75.40825 31.64702 7.163010 20.06717 7.118840 11.57985 
10.09884 
1 1 1 -7  16  20 o 212.1732 2.884020  9486.404       235.3034 9511.248       
430.0902 9475.790       281.1051 212.1760 4.828190 212.1704 3.155767 
0.5569458E-02  5.768040 
1 1 1 -7  16  21 o 202.4482 3.627147  8666.416       298.1336 8690.500       
488.3689 8652.109       376.4119 202.4709 5.745216 202.4254 4.429140 
0.4556274E-01  7.254295 
1 1 1 -7  16  22 o 70.89728 2.655298  1060.744       77.85126 1057.796       
120.9125 1062.831       101.7478 70.78300 4.068773 71.01156 3.412848 
-0.2285538     5.310597 
1 1 1 -7  16  23 o 57.92374 3.030125  680.9901       72.05714 858.2521       
117.9052 575.3127       91.03654 63.68380 4.409863 52.16368 4.156890 11.52011 
6.060250 
1 1 1 -7  16  24 o 112.4144 2.317673  2659.991       104.4267 2690.301       
176.6212 2643.702       129.4828 112.8173 3.728965 112.0115 2.753409 0.8058090 
4.635347 
1 1 1 -7  16  25 o 121.1097 1.994850  3119.974       98.94003 2965.132       
156.2197 3223.684       127.8503 118.5127 3.139729 123.7067 2.461668 -5.194000 
3.989700 
1 1 1 -7  16  26 o 24.64889 5.134092  121.8165       60.74921 209.2749       
91.82893 53.75317       81.00941 30.44661 7.273138 18.85117 7.248246 11.59545 
10.26818 
1 1 1 -7  16  27 o 81.09200 2.802482  1393.668       94.42918 1427.151       
145.0054 1369.014       124.4296 81.86752 4.218845 80.31647 3.690118 1.551041 
5.604965 
1 1 1 -7  16  28 o 68.73368 2.858902  989.9297       80.19285 1081.930       
132.0636 936.1922       100.9316 71.11188 4.423458 66.35548 3.623025 4.756393 
5.717805 
1 1 1 -7  16  29 o 40.24414 5.050265  405.6014       73.87151 272.1089       
130.0723 469.1577       89.75019 33.79174 9.003501 46.69654 4.577957 -12.90480 
10.10053 
1 1 1 -7  16  30 o 95.48672 2.913372  1991.612       112.2694 1835.487       
181.8872 2087.706       142.6968 92.07272 4.705353 98.90073 3.436654 -6.828003 
5.826743 
1 1 1 -7  16  31 o 24.58939 5.793408  141.9384       71.37139 86.78197       
121.6217 170.9094       88.14443 22.33807 8.812839 26.84071 7.522512 -4.502634 
11.58682 
1 1 1 -7  16  32 o 58.94324 3.645435  779.0414       87.65190 577.1644       
123.9283 981.1155       123.9888 50.78215 5.812733 67.10433 4.401015 -16.32218 
7.290871 
1 1 1 -7  16  33 f 32.34938 5.775869  259.9219       78.48012 290.8988       
115.7852 233.5953       106.7410 34.14415 8.173593 30.55461 8.163029 3.589544 
11.55174 
1 1 1 -7  16  34 o 53.74035 3.670655  637.9795       82.10077 750.7408       
126.0902 554.9859       108.1742 57.78747 5.197189 49.69322 5.184985 8.094250 
7.341311 
1 1 1 -7  16  35 o 38.80489 5.054511  373.6429       79.24995 378.4164       
113.1507 369.0466       111.0321 39.03185 7.173172 38.57793 7.123055 0.4539185 
10.10902 
1 1 1 -7  16  36 o 55.76627 3.654473  725.7722       84.79691 700.7531       
126.8781 745.9687       113.9956 54.48085 5.547071 57.05168 4.759274 -2.570827 
7.308945 
1 1 1 -7  17  1  o 216.8700 7.087809  9979.944       582.6799 10346.92       
1097.580 9835.934       687.5693 218.6323 11.95757 215.1077 7.613451 3.524582 
14.17562 
1 1 1 -7  17  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  17  3  o 170.7251 4.425812  6098.934       299.6241 6372.010       
522.1507 5964.873       365.8519 173.3340 7.175188 168.1161 5.183427 5.217834 
8.851624 
1 1 1 -7  17  4  o 62.62386 3.102505  781.1403       68.77327 911.7179       
148.2011 745.3035       77.63911 65.71811 5.371399 59.52961 3.106480 6.188496 
6.205010 
1 1 1 -7  17  5  o 175.4320 2.929524  6357.781       181.9317 6713.898       
383.2010 6254.151       206.7146 178.3913 5.116511 172.4726 2.854776 5.918747 
5.859047 
1 1 1 -7  17  6  o 14.81391 4.449681  0.3971524      47.60117 8.294390       
74.17321 -5.132904      62.06894 15.82622 6.631686 13.80160 5.934593 2.024627 
8.899363 
1 1 1 -7  17  7  o 54.05582 2.589853  628.2289       57.12762 549.4413       
88.67030 684.1403       74.69634 51.07663 4.135015 57.03501 3.119456 -5.958382 
5.179706 
1 1 1 -7  17  8  o 113.7701 2.231432  2733.016       103.0816 2680.177       
167.9366 2764.958       130.5735 112.8553 3.544416 114.6849 2.711877 -1.829628 
4.462864 
1 1 1 -7  17  9  o 51.94352 2.614404  553.9998       56.17225 651.3588       
89.30636 490.2695       72.25485 55.62171 3.824363 48.26534 3.565765 7.356377 
5.228808 
1 1 1 -7  17  10 o 144.0840 2.058059  4262.616       111.8861 4600.697       
214.9898 4137.039       131.0283 147.8563 3.463372 140.3118 2.224293 7.544418 
4.116117 
1 1 1 -7  17  11 o 38.51753 3.332388  314.7000       53.00373 302.8241       
81.91455 323.2536       69.51873 37.87061 5.152048 39.16446 4.227959 -1.293858 
6.664776 
1 1 1 -7  17  12 o 146.7456 2.217489  4500.241       129.0025 4623.272       
224.1650 4439.320       157.7402 148.1813 3.603260 145.3099 2.585641 2.871353 
4.434977 
1 1 1 -7  17  13 o 164.3154 3.135014  5538.461       197.1606 6076.504       
371.0694 5326.814       232.7301 169.5712 5.212235 159.0596 3.485088 10.51169 
6.270027 
1 1 1 -7  17  14 o 122.2904 2.094915  3171.264       106.0436 2983.534       
161.4550 3313.688       140.6294 119.0562 3.230134 125.5247 2.668505 -6.468483 
4.189831 
1 1 1 -7  17  15 o 69.31297 2.413845  1022.671       68.62466 956.5674       
107.3734 1068.318       89.22659 67.37305 3.796045 71.25289 2.982722 -3.879837 
4.827690 
1 1 1 -7  17  16 o 138.1908 2.733979  4024.647       154.4192 4027.807       
248.6159 4022.662       197.0339 138.1702 4.285836 138.2114 3.395611 
-0.4124451E-01 5.467958 
1 1 1 -7  17  17 o 134.3823 2.049970  3792.500       111.8718 3826.791       
183.5153 3772.222       141.1266 134.8266 3.242035 133.9380 2.509723 0.8885498 
4.099940 
1 1 1 -7  17  18 o 45.27684 3.343020  425.9730       62.65471 473.4582       
98.98181 394.2267       80.93269 47.33349 4.980901 43.22020 4.460241 4.113289 
6.686039 
1 1 1 -7  17  19 o 63.80379 2.781408  860.3975       72.58957 848.3472       
116.1795 868.1140       92.97050 63.40504 4.364423 64.20253 3.449166 
-0.7974854     5.562817 
1 1 1 -7  17  20 o 160.8153 3.093412  5453.716       203.3340 5484.255       
327.6903 5434.595       259.2881 161.0788 4.845584 160.5518 3.846700 0.5270081 
6.186824 
1 1 1 -7  17  21 o 213.1064 3.473375  9634.014       292.0259 9538.183       
507.3484 9681.496       357.1148 212.0176 5.699744 214.1951 3.971179 -2.177444 
6.946751 
1 1 1 -7  17  22 f 43.77853 3.666630  400.6235       66.48270 442.0444       
104.7102 372.6482       86.05317 45.62090 5.466964 41.93617 4.887640 3.684731 
7.333261 
1 1 1 -7  17  23 o 72.67480 2.443138  1110.074       73.80962 1148.427       
113.4042 1081.886       97.21989 73.73411 3.663379 71.61549 3.233473 2.118614 
4.886276 
1 1 1 -7  17  24 o 36.89883 4.530321  306.2310       66.24857 252.3085       
102.2503 345.2434       86.97230 33.53283 7.458238 40.26482 5.144891 -6.731991 
9.060641 
1 1 1 -7  17  25 o 68.59625 2.776593  1002.392       78.79438 965.4620       
121.0239 1029.564       103.8104 67.43327 4.274821 69.75925 3.544542 -2.325981 
5.553185 
1 1 1 -7  17  26 o 104.4924 2.782261  2303.294       119.3773 2388.184       
191.2522 2249.110       152.7981 105.9457 4.299761 103.0391 3.532134 2.906601 
5.564523 
1 1 1 -7  17  27 o 41.82276 4.372949  390.1342       73.21239 349.6102       
112.1533 420.2259       96.64489 39.42894 7.027586 44.21659 5.206127 -4.787651 
8.745897 
1 1 1 -7  17  28 o 96.43225 3.189424  1977.619       122.6659 2048.440       
210.5642 1941.237       150.9197 97.41840 5.148310 95.44610 3.766247 1.972305 
6.378849 
1 1 1 -7  17  29 o 173.0991 3.021226  6339.800       189.1522 6627.810       
383.8631 6247.441       217.3749 174.6736 5.234438 171.5246 3.018590 3.149063 
6.042452 
1 1 1 -7  17  30 o 76.10619 3.148237  1217.697       96.88570 1380.326       
164.2967 1130.992       119.9641 79.65391 4.912956 72.55846 3.938076 7.095444 
6.296474 
1 1 1 -7  17  31 o 29.37302 5.638152  212.0410       70.11958 185.0213       
118.5455 226.5818       86.96402 27.67871 8.956134 31.06732 6.851474 -3.388611 
11.27630 
1 1 1 -7  17  32 o 35.46297 5.509781  303.9429       79.56910 326.6179       
118.3793 285.2559       107.4661 36.60993 7.925725 34.31601 7.655955 2.293922 
11.01956 
1 1 1 -7  17  33 o 40.67635 5.008659  390.5026       82.90043 472.9170       
121.7256 319.2104       113.2144 45.32492 6.396849 36.02777 7.708891 9.297153 
10.01732 
1 1 1 -7  17  34 o 41.29066 4.433101  393.1709       74.18482 319.9873       
98.91090 487.2734       112.1601 36.46850 6.711586 46.11281 5.793457 -9.644314 
8.866201 
1 1 1 -7  17  35 o 18.87023 5.185907  38.20734       72.67904 -129.7810      
115.4020 148.6384       93.56628 13.78009 6.650081 23.96037 7.959331 -10.18028 
10.37181 
1 1 1 -7  17  36 o 66.05247 3.530438  980.7563       95.97005 1172.194       
155.6713 863.3926       121.8882 70.77905 5.238716 61.32591 4.734114 9.453136 
7.060877 
1 1 1 -7  18  1  o 169.9124 5.262432  6186.559       332.8983 6061.045       
637.0302 6233.712       390.4548 168.1527 9.023543 171.6720 5.417417 -3.519302 
10.52486 
1 1 1 -7  18  2  o 52.07100 4.041356  527.7726       84.64225 762.7731       
147.2495 411.8058       103.4394 60.02295 5.843290 44.11904 5.584459 15.90392 
8.082711 
1 1 1 -7  18  3  o 32.91066 6.811427  238.3364       90.93082 0.000000       
0.000000 238.3364       90.93082 ?        ?        32.91066 6.811427 ? ? 
1 1 1 -7  18  4  o 159.6669 6.105787  5399.203       409.2941 5399.203       
409.2941 0.000000       0.000000 159.6669 6.105787 ?        ?        ? ? 
1 1 1 -7  18  5  o 159.7677 3.647643  5394.033       244.5689 5277.184       
348.2330 5507.766       343.5596 158.0421 5.248295 161.4932 5.067209 -3.451126 
7.295287 
1 1 1 -7  18  6  o 113.8253 2.485486  2698.765       113.8387 2827.521       
192.5037 2629.525       141.1674 115.8470 3.957996 111.8036 3.007461 4.043442 
4.970971 
1 1 1 -7  18  7  o 227.2222 3.360574  10781.01       276.6174 11122.94       
560.0359 10670.67       318.1328 229.2820 5.817910 225.1624 3.365376 4.119568 
6.721148 
1 1 1 -7  18  8  o 61.46652 2.394053  795.4839       61.16990 793.5690       
93.22948 796.9314       81.05679 61.38978 3.617248 61.54327 3.137111 
-0.1534882     4.788105 
1 1 1 -7  18  9  o 44.65863 2.937089  425.5244       54.17558 386.8938       
82.13571 455.2730       72.07755 42.82322 4.568502 46.49405 3.692527 -3.670837 
5.874178 
1 1 1 -7  18  10 o 272.2112 3.892341  15580.51       407.5066 15899.11       
747.5774 15445.82       486.0705 273.7780 6.503971 270.6443 4.277809 3.133698 
7.784683 
1 1 1 -7  18  11 o 201.9027 2.759556  8487.288       209.5167 8823.209       
401.1674 8361.295       245.6863 204.4468 4.673759 199.3585 2.935399 5.088333 
5.519112 
1 1 1 -7  18  12 o 195.4706 3.081811  8082.999       246.3371 7961.747       
394.4319 8160.533       315.4141 194.1520 4.838951 196.7891 3.817693 -2.637100 
6.163621 
1 1 1 -7  18  13 o 11.92370 3.962373  -84.27047      47.52351 -33.55326      
81.08452 -110.8085      58.65363 14.54768 6.493587 9.299715 4.542568 5.247965 
7.924746 
1 1 1 -7  18  14 o 88.05820 2.133648  1632.961       77.61281 1625.459       
120.9492 1638.213       101.1957 87.86627 3.278700 88.25014 2.731290 
-0.3838654     4.267296 
1 1 1 -7  18  15 o 57.80450 2.538490  704.7624       61.12913 696.6078       
92.07716 711.1893       81.74202 57.49203 3.814744 58.11697 3.350144 
-0.6249352     5.076981 
1 1 1 -7  18  16 o 219.6000 2.533629  10135.27       206.6202 10207.30       
400.5132 10109.15       241.1939 219.9542 4.337162 219.2458 2.620331 0.7084045 
5.067258 
1 1 1 -7  18  17 o 72.93355 2.484048  1133.908       74.63796 1041.132       
114.5315 1202.395       98.40292 70.28220 3.881509 75.58490 3.100945 -5.302696 
4.968095 
1 1 1 -7  18  18 o 101.7736 2.412661  2168.272       99.08489 2228.328       
165.7313 2134.864       123.6094 102.8202 3.839257 100.7271 2.922983 2.093109 
4.825322 
1 1 1 -7  18  19 o 190.5718 2.693707  7636.375       194.8934 7703.283       
364.6413 7609.616       230.5937 190.9819 4.547729 190.1617 2.888320 0.8202362 
5.387415 
1 1 1 -7  18  20 o 74.21077 2.613446  1198.759       78.61605 976.5532       
120.8711 1361.682       103.4992 68.00562 4.233494 80.41592 3.065603 -12.41030 
5.226891 
1 1 1 -7  18  21 o 93.17495 2.419655  1776.833       91.14747 2026.768       
154.9658 1644.632       112.7042 97.99309 3.766704 88.35681 3.038234 9.636276 
4.839311 
1 1 1 -7  18  22 o 122.6523 2.351181  3117.143       114.9967 3352.549       
199.4306 2999.884       140.7534 125.9727 3.770826 119.3320 2.809462 6.640686 
4.702362 
1 1 1 -7  18  23 o 113.0296 2.384378  2595.654       107.3079 3017.179       
189.5056 2396.704       130.1914 119.4427 3.779056 106.6164 2.908569 12.82638 
4.768756 
1 1 1 -7  18  24 o 55.38863 3.192084  669.6606       71.40939 576.3330       
113.0517 731.6163       92.11125 51.98433 5.179951 58.79294 3.731716 -6.808613 
6.384168 
1 1 1 -7  18  25 o 55.68358 3.366447  654.8407       77.05719 690.9221       
123.4912 631.8340       98.61012 56.85071 5.173939 54.51645 4.308390 2.334263 
6.732894 
1 1 1 -7  18  26 o 91.90061 2.726196  1793.380       104.9302 1806.603       
154.0828 1781.945       143.2915 92.18004 3.981422 91.62119 3.725166 0.5588531 
5.452392 
1 1 1 -7  18  27 o 45.64656 3.934720  447.1519       74.88189 478.3884       
114.1294 423.5410       99.22572 46.98177 5.786146 44.31135 5.333722 2.670414 
7.869439 
1 1 1 -7  18  28 o 124.7853 2.815973  3345.076       137.5715 3282.575       
241.6702 3375.039       167.3289 123.5015 4.660923 126.0692 3.161427 -2.567657 
5.631947 
1 1 1 -7  18  29 o 32.02232 5.823415  230.3132       76.88773 307.2910       
128.2127 187.0833       96.08165 35.83066 8.616090 28.21397 7.836557 7.616690 
11.64683 
1 1 1 -7  18  30 f 119.5680 3.403737  3089.841       159.1824 3176.568       
282.8605 3049.644       192.5701 120.0144 5.613839 119.1215 3.850522 0.8928909 
6.807474 
1 1 1 -7  18  31 o 18.63494 5.498993  34.72499       72.03207 -4.832037      
114.4353 60.68312       92.70112 17.87835 7.872135 19.39154 7.680182 -1.513189 
10.99799 
1 1 1 -7  18  32 o 53.51231 3.891362  632.5970       86.53596 693.7781       
134.2587 589.1164       113.1832 55.54452 5.757345 51.48011 5.236772 4.064407 
7.782725 
1 1 1 -7  18  33 o 30.13210 5.485390  226.4527       70.27547 259.8132       
100.2235 194.1863       98.56626 32.47199 7.497676 27.79221 8.008924 4.679779 
10.97078 
1 1 1 -7  18  34 o 31.65218 5.737276  258.7577       76.86931 233.8618       
108.4591 283.8850       108.9619 29.93559 8.329725 33.36877 7.891832 -3.433182 
11.47455 
1 1 1 -7  18  35 o 22.47380 5.698432  105.0840       80.74286 -29.08552      
117.1036 226.6747       111.4792 16.32722 7.485800 28.62037 8.593679 -12.29315 
11.39686 
1 1 1 -7  18  36 o 26.26668 6.178617  199.4534       79.87529 230.7337       
117.3606 172.4605       109.0213 27.95998 8.897716 24.57338 8.575074 3.386599 
12.35723 
1 1 1 -7  19  1  o 54.63858 3.900758  655.0636       85.09957 546.1852       
136.9116 723.6110       108.6338 50.72178 6.429349 58.55538 4.418951 -7.833607 
7.801516 
1 1 1 -7  19  2  o 173.6770 4.375638  6403.075       315.6671 6367.398       
481.9714 6429.875       417.7301 173.1187 6.631295 174.2354 5.710584 -1.116669 
8.751277 
1 1 1 -7  19  3  o 145.4087 4.266898  4440.225       226.4328 4569.332       
452.7169 4397.151       261.4908 146.4541 7.362855 144.3634 4.314400 2.090714 
8.533796 
1 1 1 -7  19  4  o 48.40120 4.133884  531.5764       77.18397 391.6261       
127.3153 612.9019       97.05262 42.90249 7.068367 53.89992 4.288844 -10.99743 
8.267768 
1 1 1 -7  19  5  o 109.8797 6.120733  2560.057       282.3578 0.000000       
0.000000 2560.057       282.3578 ?        ?        109.8797 6.120733 ? ? 
1 1 1 -7  19  6  f 143.6947 3.608310  4393.874       214.9612 4160.860       
325.9695 4573.184       285.9488 140.2125 5.537469 147.1770 4.627745 -6.964478 
7.216619 
1 1 1 -7  19  7  o 124.4309 2.312323  3261.050       120.5062 3236.328       
176.2915 3282.733       165.1014 123.9751 3.387023 124.8867 3.148876 
-0.9116669     4.624646 
1 1 1 -7  19  8  o 80.24956 2.159088  1337.934       70.82639 1429.496       
115.6881 1283.041       89.57556 82.39751 3.344226 78.10161 2.731811 4.295906 
4.318175 
1 1 1 -7  19  9  o 148.8631 2.125057  4682.985       128.5262 4583.570       
208.9580 4743.485       163.0083 147.5396 3.373430 150.1866 2.585234 -2.647018 
4.250113 
1 1 1 -7  19  10 o 181.1929 3.404950  6811.020       242.0467 7283.881       
433.0912 6596.233       291.8872 185.4937 5.561236 176.8922 3.930316 8.601486 
6.809899 
1 1 1 -7  19  11 o 134.7141 2.332647  3814.999       127.8557 3845.135       
208.6721 3796.885       161.7797 135.0904 3.679265 134.3379 2.868445 0.7525177 
4.665294 
1 1 1 -7  19  12 o 176.5147 3.317053  6567.325       235.8409 6625.459       
394.2648 6534.933       294.3000 176.9733 5.306415 176.0561 3.981623 0.9172211 
6.634106 
1 1 1 -7  19  13 o 141.9758 2.128789  4213.222       119.6239 4327.118       
208.5242 4157.352       146.0454 143.3396 3.465064 140.6120 2.473925 2.727585 
4.257578 
1 1 1 -7  19  14 o 83.80275 2.268131  1484.918       78.38345 1441.986       
122.0116 1515.089       102.2818 82.74366 3.512267 84.86183 2.870828 -2.118172 
4.536262 
1 1 1 -7  19  15 o 100.1654 2.394494  2041.135       95.73073 2340.311       
167.8000 1896.774       116.5608 105.3833 3.792639 94.94743 2.924088 10.43584 
4.788987 
1 1 1 -7  19  16 o 122.7977 2.389591  3131.130       116.5366 3310.343       
203.0932 3043.158       142.2931 125.3227 3.859995 120.2727 2.817980 5.049988 
4.779181 
1 1 1 -7  19  17 o 109.7350 2.574254  2461.226       111.1838 2753.983       
199.6588 2329.634       133.8596 114.2603 4.162116 105.2098 3.030500 9.050438 
5.148509 
1 1 1 -7  19  18 o 154.9450 2.604802  5070.226       163.3103 5022.688       
268.9589 5097.988       205.5371 154.2832 4.152295 155.6068 3.146175 -1.323517 
5.209603 
1 1 1 -7  19  19 o 45.83258 3.564159  451.0313       67.03432 411.0913       
103.8072 479.5995       87.79386 44.02052 5.616858 47.64464 4.389056 -3.624119 
7.128317 
1 1 1 -7  19  20 o 71.01727 2.732961  1056.005       80.57796 1122.020       
125.0636 1009.151       105.3615 72.87503 4.087645 69.15951 3.628700 3.715523 
5.465922 
1 1 1 -7  19  21 o 97.93953 2.321516  2019.753       93.65297 2041.179       
147.8242 2005.387       121.0444 98.32828 3.580866 97.55079 2.955528 0.7774887 
4.643032 
1 1 1 -7  19  22 o 64.01611 2.779862  880.0794       72.94202 799.3992       
113.2142 937.3378       95.37562 61.40770 4.391361 66.62453 3.409764 -5.216824 
5.559724 
1 1 1 -7  19  23 o 118.4036 2.813458  2978.060       136.8174 2929.329       
216.2717 3010.574       176.6607 117.4786 4.384923 119.3286 3.526278 -1.849991 
5.626916 
1 1 1 -7  19  24 o 164.7925 3.016998  5773.324       199.2838 5753.865       
335.5677 5783.927       247.6927 164.2848 4.865234 165.3002 3.569118 -1.015381 
6.033996 
1 1 1 -7  19  25 o 126.8444 2.503517  3421.919       131.1930 3338.859       
203.1978 3481.293       171.7995 125.4066 3.859398 128.2822 3.189898 -2.875565 
5.007035 
1 1 1 -7  19  26 o 62.13005 3.035836  850.8495       76.28908 693.2736       
117.7534 964.8333       100.1498 56.84539 4.934001 67.41472 3.538478 -10.56933 
6.071671 
1 1 1 -7  19  27 o 40.96682 3.694317  376.1662       61.00445 290.8051       
92.63393 441.5382       81.06544 36.51006 6.043361 45.42357 4.250847 -8.913509 
7.388634 
1 1 1 -7  19  28 o 32.23718 5.595648  237.2364       73.76130 279.2072       
119.5034 211.4058       93.75067 34.34844 8.355254 30.12593 7.445457 4.222517 
11.19130 
1 1 1 -7  19  29 o 28.60812 5.081614  116.0145       75.81854 414.4460       
128.5857 -43.03849      93.87313 42.19416 7.529745 15.02208 6.825990 27.17208 
10.16323 
1 1 1 -7  19  30 o 58.72539 3.789585  762.7524       87.82217 749.3397       
151.4452 769.5479       107.7980 57.84615 6.235943 59.60462 4.307763 -1.758469 
7.579169 
1 1 1 -7  19  31 f 40.32645 4.981263  355.1411       80.11086 493.2192       
135.1676 280.3766       99.46228 46.30532 6.952850 34.34756 7.135110 11.95776 
9.962526 
1 1 1 -7  19  32 o 43.34798 4.191416  419.7719       75.71853 481.6759       
115.8030 373.5414       100.0749 46.06710 5.987560 40.62885 5.866940 5.438251 
8.382832 
1 1 1 -7  19  33 o 49.87943 4.239166  574.5380       88.03790 517.2790       
127.6701 626.4501       121.5630 47.16044 6.448111 52.59843 5.504905 -5.437984 
8.478332 
1 1 1 -7  19  34 o 53.12427 3.815831  646.6705       84.79832 593.1657       
120.5973 698.9950       119.2598 50.72556 5.662807 55.52298 5.116138 -4.797421 
7.631661 
1 1 1 -7  19  35 o 38.49212 5.279592  384.9199       83.78019 600.8177       
123.9093 203.0936       113.7125 50.24398 5.874095 26.74026 8.774471 23.50373 
10.55918 
1 1 1 -7  20  1  o 64.57866 3.676093  916.7801       94.12865 762.5974       
153.6594 1009.390       119.0885 59.97128 6.102911 69.18604 4.099894 -9.214767 
7.352187 
1 1 1 -7  20  2  o 52.19312 4.258893  603.4490       88.85641 467.5611       
138.5363 698.4222       115.8174 46.88301 7.038324 57.50322 4.797364 -10.62021 
8.517787 
1 1 1 -7  20  3  o 160.5682 4.134209  5462.152       270.9647 5461.124       
437.5003 5462.791       345.1265 160.3838 6.497391 160.7527 5.113771 
-0.3688660     8.268418 
1 1 1 -7  20  4  o 118.9806 3.520813  3014.850       166.4638 2918.063       
283.4283 3065.818       205.6752 117.3792 5.751394 120.5821 4.062752 -3.202835 
7.041625 
1 1 1 -7  20  5  o 79.48016 2.672506  1333.677       88.55506 1309.366       
132.6750 1353.208       118.9222 78.80650 4.010035 80.15382 3.533946 -1.347328 
5.345012 
1 1 1 -7  20  6  o 70.80606 2.843461  1058.502       84.12054 1041.470       
124.6972 1072.726       113.9559 70.26640 4.226980 71.34572 3.804433 -1.079323 
5.686922 
1 1 1 -7  20  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  20  8  o 107.0293 2.913125  2415.400       130.8251 2425.897       
188.4186 2405.628       181.7888 107.2460 4.184692 106.8126 4.053830 0.4334030 
5.826250 
1 1 1 -7  20  9  o 34.74126 4.056184  264.8809       56.29246 230.8404       
86.04003 290.3574       74.43428 32.40586 6.553219 37.07666 4.781823 -4.670795 
8.112368 
1 1 1 -7  20  10 o 186.8680 3.079235  7268.094       227.8659 7666.509       
399.1518 7075.478       277.5344 190.4660 4.991621 183.2701 3.607002 7.195999 
6.158469 
1 1 1 -7  20  11 o 29.93432 4.301151  220.2274       53.97539 73.36056       
83.16886 327.0964       70.94550 20.49201 7.455385 39.37662 4.291483 -18.88461 
8.602302 
1 1 1 -7  20  12 o 144.8256 2.993489  4360.856       174.2771 4641.137       
296.3288 4212.647       215.4833 148.2400 4.761343 141.4112 3.629535 6.828827 
5.986979 
1 1 1 -7  20  13 o 151.8725 2.269967  4859.222       141.1574 4837.521       
225.8803 4873.128       180.8116 151.5470 3.550195 152.1981 2.829685 
-0.6511383     4.539934 
1 1 1 -7  20  14 o 159.8819 2.528965  5373.863       165.9247 5436.228       
264.9005 5333.597       212.8525 160.5859 3.929130 159.1779 3.185056 1.408066 
5.057930 
1 1 1 -7  20  15 f 195.4656 2.797957  7807.792       195.1581 8530.224       
409.5328 7595.533       221.9840 200.9187 4.855001 190.0125 2.782663 10.90623 
5.595914 
1 1 1 -7  20  16 o 123.9615 2.189026  3190.845       108.9217 3382.932       
185.6864 3090.077       134.4905 126.7198 3.490250 121.2032 2.643009 5.516663 
4.378053 
1 1 1 -7  20  17 o 201.8782 2.334594  8664.711       187.3482 8331.354       
318.3204 8841.381       231.7349 198.7636 3.814597 204.9928 2.692614 -6.229156 
4.669188 
1 1 1 -7  20  18 o 157.9377 2.724079  5272.860       175.7296 5223.740       
282.6706 5303.803       224.3526 157.2402 4.281917 158.6353 3.368622 -1.395172 
5.448158 
1 1 1 -7  20  19 o 59.79160 2.979960  753.5133       74.03532 771.3676       
113.6981 740.3704       97.55059 60.37672 4.485435 59.20649 3.924476 1.170227 
5.959919 
1 1 1 -7  20  20 o 53.02694 3.212621  594.9011       70.26854 600.6200       
110.3728 591.0032       91.12113 53.19574 4.942041 52.85814 4.106088 0.3376007 
6.425241 
1 1 1 -7  20  21 f 178.3235 3.339271  6703.489       234.0290 6889.967       
413.2903 6615.474       283.9372 179.7875 5.475410 176.8594 3.823977 2.928146 
6.678542 
1 1 1 -7  20  22 o 81.39777 2.445426  1388.817       82.20394 1462.959       
129.8410 1339.217       106.1984 83.15247 3.719270 79.64308 3.176078 3.509384 
4.890852 
1 1 1 -7  20  23 o 125.8918 2.610562  3377.438       134.5511 3256.828       
213.4397 3456.977       173.3290 123.8853 4.103710 127.8983 3.227957 -4.013031 
5.221125 
1 1 1 -7  20  24 o 157.3502 2.906659  5258.401       183.2047 5275.428       
309.4335 5249.211       227.3321 157.2548 4.686887 157.4457 3.439149 
-0.1909180     5.813317 
1 1 1 -7  20  25 o 21.85197 5.777990  84.36955       70.62628 88.83067       
109.0580 81.14718       92.68809 22.51024 8.480044 21.19370 7.850447 1.316547 
11.55598 
1 1 1 -7  20  26 o 75.72331 2.909765  1221.519       90.54318 1238.544       
143.9436 1210.372       116.4707 76.03010 4.509494 75.41653 3.678503 0.6135712 
5.819529 
1 1 1 -7  20  27 o 30.24383 5.631172  213.7844       71.94640 212.7256       
111.0770 214.5496       94.43251 30.08482 8.448738 30.40285 7.447095 
-0.3180237     11.26234 
1 1 1 -7  20  28 o 25.67442 5.898395  141.8215       68.56137 182.2204       
123.3410 123.7568       82.47784 27.94208 9.138410 23.40675 7.460141 4.535337 
11.79679 
1 1 1 -7  20  29 o 60.73672 3.632163  792.6008       88.27831 856.3129       
151.6924 759.9731       108.5540 62.20423 5.808513 59.26922 4.362523 2.935013 
7.264325 
1 1 1 -7  20  30 o 70.23318 3.022516  1092.748       85.33929 983.0830       
138.2549 1160.251       108.4694 66.95494 4.918345 73.51142 3.514582 -6.556480 
6.045031 
1 1 1 -7  20  31 o 138.4446 3.592177  4197.107       189.3885 4351.216       
352.4668 4134.553       224.5599 138.7133 6.052308 138.1758 3.870982 0.5375061 
7.184353 
1 1 1 -7  20  32 f 65.42933 3.430996  937.9460       92.13053 1005.042       
148.5641 896.0186       117.4399 66.98208 5.282947 63.87658 4.379201 3.105495 
6.861992 
1 1 1 -7  20  33 o 31.40411 5.979411  256.1115       80.60619 274.9714       
116.3523 238.7065       111.7742 32.53701 8.445479 30.27122 8.466836 2.265799 
11.95882 
1 1 1 -7  20  34 o 19.80262 5.489444  70.30892       70.19886 8.697103       
98.22073 134.6420       100.3664 16.54806 7.289727 23.05718 8.209499 -6.509125 
10.97889 
1 1 1 -7  20  35 o 48.30308 4.524258  569.2410       90.46936 692.6895       
132.2850 460.7675       124.0022 53.76434 5.860537 42.84181 6.894183 10.92253 
9.048516 
1 1 1 -7  21  1  o 149.9920 4.294875  4779.951       269.7379 4695.579       
394.1022 4854.308       369.9739 148.6796 6.313620 151.3044 5.824259 -2.624710 
8.589749 
1 1 1 -7  21  2  o 173.0596 5.128390  6400.169       360.4904 6309.059       
586.9497 6455.354       456.7975 171.7322 8.140861 174.3871 6.239223 -2.654907 
10.25678 
1 1 1 -7  21  3  o 27.91519 5.802528  173.2077       74.66212 110.2806       
118.0775 215.1279       96.37405 24.67620 8.892545 31.15417 7.456538 -6.477964 
11.60506 
1 1 1 -7  21  4  o 81.86810 3.409316  1447.475       110.6515 1315.806       
185.9760 1519.627       137.6704 78.82810 5.619491 84.90811 3.862002 -6.080009 
6.818632 
1 1 1 -7  21  5  o 119.6685 3.384053  3057.861       161.2271 2918.967       
272.4304 3132.729       200.0144 117.4299 5.525838 121.9071 3.907988 -4.477249 
6.768106 
1 1 1 -7  21  6  o 141.1676 3.122233  4212.628       183.4468 4150.188       
277.1815 4261.294       244.7083 140.1838 4.709638 142.1515 4.100326 -1.967682 
6.244466 
1 1 1 -7  21  7  o 34.30178 5.017793  259.4751       69.61905 257.9662       
103.7504 260.7109       93.89769 34.14491 7.443938 34.45865 6.730586 
-0.3137474     10.03559 
1 1 1 -7  21  8  o 102.7607 3.912875  2235.339       156.2984 2234.712       
279.9060 2235.624       188.4079 102.5888 6.498801 102.9325 4.359812 
-0.3436508     7.825750 
1 1 1 -7  21  9  o 139.5269 4.344271  4107.698       254.4800 4107.698       
254.4800 0.000000       0.000000 139.5269 4.344271 ?        ?        ? ? 
1 1 1 -7  21  10 o 137.9741 3.179801  4034.486       180.5853 3934.097       
283.0116 4103.430       234.5365 136.4416 4.940585 139.5066 4.004395 -3.064941 
6.359603 
1 1 1 -7  21  11 o 218.5542 3.970114  10005.21       333.8566 10389.31       
614.5137 9844.370       397.6624 221.1283 6.619242 215.9800 4.385529 5.148331 
7.940228 
1 1 1 -7  21  12 o 66.57404 2.688342  919.9749       74.28064 1026.391       
116.1432 846.3183       96.62640 69.77041 3.965004 63.37766 3.631455 6.392746 
5.376683 
1 1 1 -7  21  13 o 183.2852 2.791686  7090.585       210.5096 7048.656       
332.1074 7118.745       272.1705 182.7486 4.328580 183.8217 3.526673 -1.073090 
5.583371 
1 1 1 -7  21  14 o 58.78089 2.754487  714.6564       67.29721 865.0605       
103.3289 603.8606       88.68575 64.05258 3.842432 53.50919 3.947721 10.54339 
5.508974 
1 1 1 -7  21  15 o 34.95598 4.317407  264.5684       60.77910 259.5984       
94.71384 268.0478       79.24833 34.33720 6.812203 35.57476 5.306025 -1.237556 
8.634813 
1 1 1 -7  21  16 o 135.1474 2.817372  3867.438       155.6455 3800.874       
249.3040 3909.955       199.2471 134.1043 4.428000 136.1906 3.484704 -2.086258 
5.634745 
1 1 1 -7  21  17 o 204.6165 3.139726  8850.573       259.0990 8872.193       
431.1623 8838.353       324.1572 204.5986 5.019486 204.6344 3.773098 
-0.3584290E-01 6.279451 
1 1 1 -7  21  18 o 136.9430 2.849518  3929.460       156.6133 4080.734       
265.7484 3848.965       193.8541 138.8129 4.559971 135.0732 3.418431 3.739655 
5.699036 
1 1 1 -7  21  19 o 99.08429 2.150939  2057.012       86.14792 2117.712       
143.5710 2022.861       107.6886 100.1629 3.414136 98.00569 2.617217 2.157204 
4.301877 
1 1 1 -7  21  20 o 40.50504 3.746357  352.6705       61.10632 337.9398       
100.7521 361.2422       76.85533 39.74116 6.038579 41.26891 4.435801 -1.527752 
7.492714 
1 1 1 -7  21  21 o 70.32092 2.759050  1063.735       79.76205 951.2341       
122.0102 1147.697       105.4042 66.94923 4.340818 73.69261 3.406866 -6.743385 
5.518101 
1 1 1 -7  21  22 o 44.25550 3.308558  420.7238       60.48055 393.5875       
92.50504 440.9843       79.93091 42.93484 5.131880 45.57615 4.177324 -2.641308 
6.617116 
1 1 1 -7  21  23 o 48.01090 3.905393  507.3937       76.58760 401.1765       
113.0941 597.3677       104.0880 43.10176 6.249797 52.92004 4.684913 -9.818283 
7.810786 
1 1 1 -7  21  24 o 31.63642 5.235565  236.1527       72.27343 128.5834       
109.6723 318.7271       96.08941 24.88072 8.608441 38.39213 5.961484 -13.51141 
10.47113 
1 1 1 -7  21  25 o 37.39644 4.625617  330.7964       67.18618 226.2985       
103.7170 406.3506       88.19118 31.29299 7.890880 43.49989 4.829010 -12.20690 
9.251233 
1 1 1 -7  21  26 o 28.75984 5.207075  189.8170       62.71064 203.3549       
95.53170 179.5663       83.12872 29.59482 7.639010 27.92487 7.078138 1.669954 
10.41415 
1 1 1 -7  21  27 o 97.64766 3.087179  2047.727       124.4324 2076.247       
195.0607 2028.158       161.5783 98.00445 4.740729 97.29087 3.955778 0.7135773 
6.174358 
1 1 1 -7  21  28 o 115.0813 2.774944  2862.679       132.6627 2709.573       
199.3578 2984.363       177.7267 112.0838 4.236543 118.0789 3.585103 -5.995079 
5.549888 
1 1 1 -7  21  29 o 24.32752 5.573892  93.82522       68.76859 254.8116       
120.1701 15.43311       83.85676 32.18584 8.689669 16.46920 6.983034 15.71664 
11.14778 
1 1 1 -7  21  30 o 55.74417 3.892606  675.6580       87.70407 751.9794       
148.1608 634.4884       108.8176 57.74172 6.111739 53.74662 4.822464 3.995102 
7.785211 
1 1 1 -7  21  31 o 41.73325 5.201370  425.4578       82.95649 379.3834       
140.6782 450.0208       102.7160 38.64843 8.855353 44.81807 5.458910 -6.169640 
10.40274 
1 1 1 -7  21  32 o 58.84985 3.226609  768.8061       78.33733 747.7802       
121.4357 783.7925       102.5218 57.85926 4.999130 59.84045 4.080774 -1.981194 
6.453218 
1 1 1 -7  21  33 o 30.12952 6.124813  241.7216       81.56152 245.5346       
117.8817 238.2200       112.9661 30.28694 8.768571 29.97210 8.553683 0.3148384 
12.24963 
1 1 1 -7  21  34 o 72.83862 3.557761  1206.380       107.9510 1311.887       
165.4463 1128.161       142.4527 75.33260 5.231126 70.34464 4.823483 4.987953 
7.115523 
1 1 1 -7  21  35 o 28.11489 6.402984  236.1619       87.23034 276.1880       
123.1140 195.8112       123.6122 30.57102 8.996757 25.65877 9.113243 4.912251 
12.80597 
1 1 1 -7  22  1  o 56.90675 4.001206  709.6265       90.27160 616.9594       
149.4826 762.8200       113.2550 53.76331 6.622559 60.05019 4.492251 -6.286884 
8.002413 
1 1 1 -7  22  2  o 117.7128 4.011309  2922.639       181.5016 2991.202       
333.3594 2893.750       216.3863 118.4213 6.705081 117.0044 4.405028 1.416901 
8.022617 
1 1 1 -7  22  3  o 160.4058 4.264894  5533.407       269.8674 5268.858       
463.8582 5668.769       331.8014 157.1230 7.031799 163.6885 4.828154 -6.565475 
8.529787 
1 1 1 -7  22  4  o 53.61686 3.946640  602.7990       80.66100 625.6864       
150.8279 593.6312       95.45837 54.21252 6.626790 53.02121 4.288302 1.191307 
7.893281 
1 1 1 -7  22  5  o 172.4663 4.597757  6362.850       285.6353 6253.623       
575.2047 6398.600       329.0764 170.8936 8.017107 174.0391 4.503716 -3.145508 
9.195514 
1 1 1 -7  22  6  o 107.4811 2.775778  2438.006       124.4951 2422.490       
186.2920 2450.527       167.3524 107.1433 4.141429 107.8189 3.697073 
-0.6756439     5.551557 
1 1 1 -7  22  7  o 105.9133 2.769799  2364.351       122.8965 2386.692       
180.1878 2344.917       168.0502 106.3658 4.035008 105.4607 3.795504 0.9050827 
5.539598 
1 1 1 -7  22  8  o 125.8701 3.291921  3356.156       170.8848 3300.995       
266.8053 3394.522       222.5146 124.9111 5.087616 126.8290 4.178891 -1.917870 
6.583841 
1 1 1 -7  22  9  o 97.23318 2.977030  1997.471       120.6475 1977.308       
181.3860 2013.470       161.5706 96.76000 4.465078 97.70635 3.938770 
-0.9463501     5.954060 
1 1 1 -7  22  10 o 118.3613 4.178683  2956.700       207.6482 0.000000       
0.000000 2956.700       207.6482 ?        ?        118.3613 4.178683 ? ? 
1 1 1 -7  22  11 o 103.4131 2.845811  2259.379       122.0515 2236.859       
187.3024 2275.999       160.9034 102.9226 4.334647 103.9037 3.688549 
-0.9811020     5.691621 
1 1 1 -7  22  12 o 81.11198 2.761029  1378.419       93.48352 1304.384       
124.4714 1474.216       141.5876 78.64450 3.769835 83.57948 4.035029 -4.934975 
5.522057 
1 1 1 -7  22  13 o 99.12437 2.371206  2043.719       94.72786 2165.270       
159.9911 1978.106       117.5462 101.3149 3.761349 96.93387 2.888379 4.380997 
4.742413 
1 1 1 -7  22  14 o 14.50994 4.518753  -30.73182      56.11138 -100.3959      
89.47033 14.43210       72.03944 13.12288 6.184173 15.89701 6.590334 -2.774125 
9.037505 
1 1 1 -7  22  15 o 80.95610 2.459004  1378.399       83.15286 1420.040       
124.7971 1345.151       111.5128 82.03611 3.623436 79.87609 3.325285 2.160019 
4.918009 
1 1 1 -7  22  16 o 114.0100 2.550901  2735.639       119.5093 2783.045       
190.2737 2704.753       153.5834 114.7607 3.949176 113.2592 3.229920 1.501511 
5.101801 
1 1 1 -7  22  17 o 45.89761 3.399408  436.5209       64.60308 512.1939       
102.2492 386.2409       83.34644 49.11524 4.958663 42.67997 4.651403 6.435265 
6.798815 
1 1 1 -7  22  18 o 136.0831 2.509545  3929.469       140.8913 3816.310       
218.9649 4009.419       184.0526 134.3183 3.882936 137.8478 3.180264 -3.529495 
5.019090 
1 1 1 -7  22  19 o 91.89999 2.397532  1790.182       91.03179 1749.362       
141.0549 1819.319       119.1711 90.94464 3.694299 92.85534 3.056927 -1.910698 
4.795065 
1 1 1 -7  22  20 o 44.88125 3.558721  414.8687       65.90620 520.6262       
105.3471 346.8579       84.48040 49.41639 5.077764 40.34611 4.987413 9.070278 
7.117442 
1 1 1 -7  22  21 o 24.21639 5.260780  110.2791       61.59026 204.0068       
97.76520 48.60288       79.30653 30.01750 7.716332 18.41528 7.152724 11.60221 
10.52156 
1 1 1 -7  22  22 o 30.06748 5.109224  202.4863       62.99964 218.3755       
98.52486 191.4961       81.94006 30.99048 7.616467 29.14447 6.812202 1.846006 
10.21845 
1 1 1 -7  22  23 o 58.45668 3.546443  730.3305       86.89123 689.6959       
118.8180 777.0438       127.3954 56.72083 4.989542 60.19253 5.041182 -3.471699 
7.092886 
1 1 1 -7  22  24 o 79.80256 2.666717  1358.912       89.10405 1266.345       
127.3962 1447.562       124.6722 77.08617 3.936418 82.51894 3.598629 -5.432770 
5.333434 
1 1 1 -7  22  25 o 49.00998 3.738346  509.0016       75.82975 587.2380       
120.1999 457.2796       97.73212 52.00779 5.504995 46.01217 5.059244 5.995617 
7.476692 
1 1 1 -7  22  26 o 49.42105 3.350959  518.8109       68.93999 614.8179       
105.3893 447.0006       91.14608 53.36128 4.704258 45.48082 4.773432 7.880463 
6.701918 
1 1 1 -7  22  27 o 49.48151 3.802797  522.6710       78.00618 643.9443       
121.5758 437.8078       101.7007 54.25476 5.337405 44.70826 5.418225 9.546505 
7.605594 
1 1 1 -7  22  28 o 66.25130 3.304752  979.9379       88.84175 832.7087       
137.8580 1084.515       116.1859 61.52657 5.336915 70.97602 3.899088 -9.449451 
6.609504 
1 1 1 -7  22  29 o 88.61949 2.791290  1730.514       101.4342 1494.969       
153.9452 1911.235       134.8442 82.85699 4.425457 94.38199 3.403017 -11.52500 
5.582580 
1 1 1 -7  22  30 f 49.45987 4.357143  543.2416       86.33155 597.7015       
148.2033 515.2701       106.2130 50.78550 6.950872 48.13424 5.255868 2.651260 
8.714286 
1 1 1 -7  22  31 o 91.84660 3.291413  1874.264       117.2463 1833.300       
208.3686 1893.242       141.8295 90.19548 5.502608 93.49773 3.613155 -3.302254 
6.582825 
1 1 1 -7  22  32 o 54.16512 4.144129  657.4965       89.61457 729.9172       
155.1168 621.2158       109.7905 55.68951 6.634473 52.64074 4.967796 3.048771 
8.288259 
1 1 1 -7  22  33 o 47.75988 4.420392  538.5953       87.63019 550.4268       
134.5085 529.8707       115.5062 47.81023 6.701161 47.70953 5.766621 0.1007004 
8.840784 
1 1 1 -7  22  34 o 25.21833 6.103475  177.9479       81.73543 110.8318       
117.6720 240.5183       113.6173 21.42675 8.594427 29.00991 8.668646 -7.583158 
12.20695 
1 1 1 -7  23  1  o 153.1180 4.219623  4959.644       253.2829 5148.123       
450.2130 4872.367       306.3636 154.7596 6.929174 151.4763 4.817408 3.283310 
8.439246 
1 1 1 -7  23  2  o 101.9513 3.593769  2289.273       143.5760 1964.595       
242.3297 2464.896       178.2261 95.93132 6.016823 107.9712 3.931735 -12.03992 
7.187538 
1 1 1 -7  23  3  o 143.5092 3.673609  4322.061       212.2131 4559.835       
358.8740 4194.213       263.1516 146.2830 5.843450 140.7354 4.453729 5.547607 
7.347217 
1 1 1 -7  23  4  o 156.2736 4.495234  5308.464       262.6616 4999.786       
493.7845 5430.272       310.1869 152.4277 7.716043 160.1195 4.614240 -7.691849 
8.990469 
1 1 1 -7  23  5  o 76.54437 3.396025  1222.243       100.8041 1291.655       
183.7387 1192.354       120.5694 77.94476 5.614806 75.14398 3.821766 2.800781 
6.792049 
1 1 1 -7  23  6  o 105.9697 2.923977  2373.462       129.9457 2367.290       
188.0705 2379.100       179.7533 105.8209 4.233218 106.1186 4.034655 
-0.2977753     5.847955 
1 1 1 -7  23  7  o 89.65504 2.874267  1700.214       108.0056 1590.052       
152.9706 1809.722       152.5164 86.73618 4.200767 92.57391 3.924182 -5.837730 
5.748534 
1 1 1 -7  23  8  o 118.1945 3.013302  2952.357       149.0370 2961.730       
219.9864 2944.405       202.6230 118.3351 4.427954 118.0539 4.088177 0.2812805 
6.026605 
1 1 1 -7  23  9  o 90.66483 2.873640  1740.459       108.1696 1709.467       
164.9515 1763.842       143.2777 89.91019 4.369869 91.41948 3.733026 -1.509293 
5.747281 
1 1 1 -7  23  10 o 206.9447 4.269099  9134.804       354.0427 9060.885       
595.5786 9175.199       440.2798 205.8554 6.891248 208.0341 5.040984 -2.178696 
8.538198 
1 1 1 -7  23  11 o 112.7012 2.693648  2702.293       125.7227 2543.608       
191.0518 2823.494       166.9693 109.7000 4.148256 115.7023 3.437285 -6.002312 
5.387295 
1 1 1 -7  23  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  23  13 o 59.76553 3.232435  750.5868       80.51517 804.8212       
123.0005 709.9244       106.5040 61.61752 4.754706 57.91354 4.380332 3.703979 
6.464870 
1 1 1 -7  23  14 o 120.9268 2.631172  3108.307       131.7314 2965.093       
201.2408 3215.686       174.2528 118.4044 4.048269 123.4493 3.362111 -5.044991 
5.262345 
1 1 1 -7  23  15 o 56.28679 3.101403  700.2543       70.04837 499.7096       
103.8857 867.4504       94.85566 48.48393 5.103631 64.08965 3.525303 -15.60572 
6.202806 
1 1 1 -7  23  16 o 141.6780 2.677053  4258.019       150.6117 4204.219       
258.1304 4285.788       185.4518 140.8247 4.365976 142.5313 3.099145 -1.706604 
5.354105 
1 1 1 -7  23  17 o 95.90881 2.474616  1917.380       97.24932 2063.593       
157.9853 1828.179       123.3987 98.75228 3.810575 93.06533 3.158229 5.686951 
4.949232 
1 1 1 -7  23  18 o 52.74487 3.106018  583.7302       67.65900 628.2825       
107.2617 554.2890       87.19413 54.35337 4.700449 51.13638 4.061424 3.216991 
6.212036 
1 1 1 -7  23  19 o 83.12661 2.252809  1464.954       78.24001 1400.955       
114.9446 1520.204       106.7999 81.39835 3.363521 84.85487 2.997886 -3.456528 
4.505618 
1 1 1 -7  23  20 o 88.69362 2.617203  1648.642       95.37384 1755.884       
153.3950 1581.059       121.7725 90.94314 4.017559 86.44409 3.355329 4.499046 
5.234406 
1 1 1 -7  23  21 o 110.0607 2.348798  2570.427       106.0975 2537.040       
168.2153 2592.482       136.7223 109.3641 3.663630 110.7573 2.940276 -1.393150 
4.697596 
1 1 1 -7  23  22 o 126.4026 3.311710  3380.509       173.9300 3168.349       
227.4312 3679.401       269.9450 121.7968 4.447697 131.0083 4.907921 -9.211517 
6.623420 
1 1 1 -7  23  23 o 40.95858 4.843565  378.4117       80.04602 445.1247       
111.8218 308.2998       114.6350 45.27400 5.882996 36.64316 7.696159 8.630836 
9.687131 
1 1 1 -7  23  24 o 56.81505 3.804825  697.2687       90.58037 746.0629       
133.1611 655.2468       123.5753 58.64885 5.408028 54.98124 5.353505 3.667614 
7.609650 
1 1 1 -7  23  25 o 76.57849 2.939939  1261.585       94.25846 1194.912       
135.8966 1323.397       130.8498 74.54819 4.342027 78.60878 3.964816 -4.060585 
5.879878 
1 1 1 -7  23  26 o 102.1052 2.424624  2230.820       101.9165 2200.781       
160.0333 2251.316       132.1888 101.3509 3.761005 102.8596 3.061054 -1.508728 
4.849249 
1 1 1 -7  23  27 o 54.76937 3.606072  663.8018       81.49513 609.2258       
123.9573 705.3499       108.1551 52.52274 5.621419 57.01600 4.518260 -4.493263 
7.212144 
1 1 1 -7  23  28 o 17.89615 5.476681  5.975660       74.11853 34.23958       
118.3951 -12.24022      95.04794 19.66130 8.314966 16.13099 7.130041 3.530308 
10.95336 
1 1 1 -7  23  29 o 81.61703 3.082189  1433.974       102.0925 1530.917       
169.5170 1378.799       127.8868 83.38906 4.842006 79.84502 3.815039 3.544044 
6.164377 
1 1 1 -7  23  30 o 54.36534 3.423872  651.7912       73.85149 662.0864       
127.0916 646.5425       90.74445 54.22392 5.582735 54.50676 3.965434 
-0.2828445     6.847744 
1 1 1 -7  23  31 o 64.98692 3.766428  966.1112       97.03986 903.6090       
162.9930 1000.430       120.7779 62.52760 6.208950 67.44625 4.265310 -4.918652 
7.532856 
1 1 1 -7  23  32 o 34.02007 5.977539  272.1382       83.71912 454.3763       
145.3684 181.6985       102.4071 41.67429 8.601966 26.36585 8.302414 15.30844 
11.95508 
1 1 1 -7  23  33 o 18.97945 5.575755  47.90816       73.84394 121.8855       
115.9359 -2.590403      95.78736 22.19070 8.642220 15.76820 7.047568 6.422506 
11.15151 
1 1 1 -7  23  34 o 27.56499 7.768918  220.3151       123.4525 420.0031       
235.4171 144.5736       144.9870 32.04750 12.34911 23.08247 9.429937 8.965036 
15.53784 
1 1 1 -7  24  1  o 125.9303 3.820974  3347.921       183.7780 3489.067       
342.4727 3290.839       217.7920 127.3190 6.406984 124.5415 4.165324 2.777496 
7.641948 
1 1 1 -7  24  2  o 33.95735 5.185299  277.4398       77.40600 93.09164       
116.2336 424.3504       103.7621 23.35225 8.762969 44.56245 5.546140 -21.21020 
10.37060 
1 1 1 -7  24  3  o 122.5246 4.110467  3231.272       197.1100 3152.301       
345.9115 3269.244       239.8620 120.9863 6.810043 124.0630 4.605113 -3.076691 
8.220934 
1 1 1 -7  24  4  o 28.98123 6.230549  173.5635       78.30525 227.9154       
139.0614 148.3279       94.75582 31.92550 9.600533 26.03696 7.944102 5.888540 
12.46110 
1 1 1 -7  24  5  o 81.27148 3.281380  1338.049       106.9553 1618.627       
186.9487 1201.528       130.4053 87.22034 5.105352 75.32264 4.123735 11.89770 
6.562759 
1 1 1 -7  24  6  o 37.50518 5.725420  349.5229       87.89584 175.1546       
145.2504 450.2642       110.4046 29.07744 9.916893 45.93292 5.725117 -16.85548 
11.45084 
1 1 1 -7  24  7  o 148.7139 3.393546  4684.082       211.3779 4534.076       
287.4825 4860.619       311.8719 146.1684 4.684668 151.2593 4.911060 -5.090866 
6.787092 
1 1 1 -7  24  8  o 66.46335 3.199617  915.6625       88.27005 1113.164       
136.9717 775.3796       115.4377 72.45873 4.502579 60.46797 4.547194 11.99076 
6.399233 
1 1 1 -7  24  9  o 151.7050 3.076990  4876.194       195.9655 4804.246       
276.4257 4948.889       277.8541 150.5732 4.372722 152.8369 4.330217 -2.263702 
6.153981 
1 1 1 -7  24  10 o 87.99620 3.018292  1635.775       111.1714 1695.043       
164.8396 1586.325       150.5680 89.43144 4.390280 86.56096 4.143161 2.870483 
6.036583 
1 1 1 -7  24  11 o 64.63918 3.112645  850.7971       82.62882 1066.289       
135.0733 721.9332       104.4527 70.90223 4.537649 58.37612 4.261923 12.52611 
6.225290 
1 1 1 -7  24  12 o 124.3277 3.372623  3260.217       165.8172 3351.542       
289.3358 3215.553       202.3425 125.3770 5.496741 123.2784 3.909499 2.098595 
6.745246 
1 1 1 -7  24  13 o 55.35540 3.537228  642.7996       81.62255 737.4020       
124.5686 571.6242       108.0494 58.86919 5.040126 51.84160 4.964379 7.027596 
7.074456 
1 1 1 -7  24  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -7  24  15 o 34.80418 5.145616  260.6179       76.93082 447.6706       
115.9888 113.6990       102.7953 45.69789 6.045624 23.91048 8.328258 21.78741 
10.29123 
1 1 1 -7  24  16 o 62.18188 2.792817  836.3518       71.37694 683.1250       
105.0536 967.7374       97.27866 56.70883 4.412464 67.65492 3.424832 -10.94609 
5.585634 
1 1 1 -7  24  17 o 56.51645 3.064893  679.7382       70.99042 673.7852       
113.1058 683.6075       91.18886 56.23634 4.790589 56.79655 3.824202 
-0.5602188     6.129785 
1 1 1 -7  24  18 o 110.0037 2.155154  2583.467       97.38064 2416.621       
151.6773 2700.468       127.0154 106.8687 3.380580 113.1387 2.674029 -6.270073 
4.310308 
1 1 1 -7  24  19 o 56.06540 3.131446  648.7837       72.42465 845.2010       
113.6370 514.4241       93.98621 63.01336 4.295444 49.11744 4.557739 13.89592 
6.262893 
1 1 1 -7  24  20 o 86.96770 2.392316  1607.600       86.07809 1574.326       
132.8101 1631.702       113.0331 86.11554 3.673419 87.81985 3.065729 -1.704315 
4.784632 
1 1 1 -7  24  21 o 26.03737 5.956610  144.0323       76.46035 91.38793       
105.3470 202.6347       111.1486 22.41639 8.356181 29.65835 8.491117 -7.241961 
11.91322 
1 1 1 -7  24  22 o 66.83124 3.268567  965.0032       91.03751 1043.122       
125.1354 877.1680       132.6894 69.83171 4.268237 63.83076 4.951391 6.000946 
6.537134 
1 1 1 -7  24  23 o 123.4965 3.089064  3269.951       160.0831 3161.677       
222.2994 3386.583       230.7188 121.3789 4.362305 125.6140 4.374878 -4.235085 
6.178127 
1 1 1 -7  24  24 o 83.59739 3.109408  1499.276       108.8671 1570.942       
160.8626 1438.712       147.8783 85.39233 4.487012 81.80245 4.305854 3.589874 
6.218815 
1 1 1 -7  24  25 o 29.07902 5.853474  201.5699       74.79315 195.7421       
110.1598 206.5539       101.8726 28.67603 8.529007 29.48201 8.019268 
-0.8059864     11.70695 
1 1 1 -7  24  26 o 58.92978 3.550748  773.2908       85.63493 594.1803       
122.9257 942.1752       119.3650 51.86286 5.645561 65.99669 4.308002 -14.13383 
7.101496 
1 1 1 -7  24  27 o 100.8462 3.005145  2180.031       124.2331 2323.151       
200.9522 2091.491       158.0566 103.1851 4.638707 98.50726 3.821777 4.677826 
6.010290 
1 1 1 -7  24  28 o 32.04546 5.269582  269.7882       77.43309 96.49770       
121.6763 387.7360       100.3838 22.49389 8.833665 41.59702 5.748074 -19.10313 
10.53916 
1 1 1 -7  24  29 o 21.54562 5.607670  87.17024       77.86509 -67.39152      
132.6517 168.4208       96.17784 16.95678 7.850590 26.13445 8.009501 -9.177673 
11.21534 
1 1 1 -7  24  30 o 82.50212 3.024847  1512.655       102.1231 1405.528       
159.8416 1586.546       132.7502 79.54254 4.786427 85.46170 3.699854 -5.919159 
6.049695 
1 1 1 -7  24  31 o 74.71824 3.496182  1194.186       103.6328 1444.898       
185.0926 1079.703       125.0754 79.52211 5.543986 69.91437 4.261148 9.607742 
6.992365 
1 1 1 -7  24  32 o 33.43343 5.565641  299.4086       76.34771 254.3010       
129.3951 323.4996       94.56264 29.89059 9.316663 36.97626 6.091407 -7.085676 
11.13128 
1 1 1 -7  24  33 o 24.09606 6.258380  162.2769       82.42369 176.0285       
126.3781 152.0975       108.7315 24.69883 9.163212 23.49329 8.526712 1.205542 
12.51676 
1 1 1 -7  25  1  o 84.67673 3.458016  1442.019       113.9155 1779.295       
212.7634 1306.480       134.8762 90.97353 5.570613 78.37993 4.098751 12.59361 
6.916031 
1 1 1 -7  25  2  o 28.59253 6.188032  179.0130       78.55437 197.8560       
132.4760 168.7945       97.55591 29.77466 9.451138 27.41039 7.990179 2.364275 
12.37606 
1 1 1 -7  25  3  o 145.1813 4.490246  4562.221       244.6949 4514.051       
462.3765 4580.959       288.3886 143.7483 7.661505 146.6143 4.685144 -2.865952 
8.980492 
1 1 1 -7  25  4  o 113.3221 3.927425  2820.389       169.8393 2576.476       
305.9813 2929.000       204.1811 109.1865 6.674935 117.4578 4.140520 -8.271271 
7.854850 
1 1 1 -7  25  5  o 56.37497 3.895499  673.0515       88.55788 705.4201       
148.8512 655.3173       110.1784 57.27234 6.190538 55.47761 4.730421 1.794724 
7.790998 
1 1 1 -7  25  6  o 20.09887 5.939816  1.912291       81.93488 86.26812       
138.5545 -43.45036      101.6043 24.14825 9.438852 16.04949 7.213439 8.098766 
11.87963 
1 1 1 -7  25  7  o 30.62989 5.591231  204.5237       73.43615 284.8897       
111.9626 143.8462       97.28595 35.54567 7.718843 25.71411 8.091164 9.831564 
11.18246 
1 1 1 -7  25  8  o 51.02069 3.731598  566.6288       77.94705 494.8291       
119.5676 619.6947       102.7921 48.04327 5.927917 53.99812 4.534214 -5.954857 
7.463196 
1 1 1 -7  25  9  o 56.03211 3.365942  663.6233       78.78880 764.0762       
116.3031 578.4203       107.1119 59.94682 4.621110 52.11739 4.895263 7.829430 
6.731884 
1 1 1 -7  25  10 o 30.04383 4.762315  206.1573       69.55505 19.29022       
102.3963 366.2476       94.77643 18.68902 7.809186 41.39863 5.452999 -22.70961 
9.524630 
1 1 1 -7  25  11 o 156.9743 3.365283  5289.070       218.3411 4959.645       
333.5043 5536.185       288.8493 152.4463 5.210814 161.5024 4.260038 -9.056030 
6.730566 
1 1 1 -7  25  12 o 25.66873 5.722564  141.0567       67.94783 158.9796       
106.2733 128.6638       88.37017 26.94229 8.452474 24.39516 7.716648 2.547125 
11.44513 
1 1 1 -7  25  13 o 113.9537 2.868519  2728.131       133.2357 2864.120       
218.4071 2647.527       168.1473 116.0622 4.482260 111.8451 3.580914 4.217079 
5.737037 
1 1 1 -7  25  14 o 120.9700 2.978087  3120.029       150.4926 2962.540       
220.6528 3257.005       205.7818 118.0216 4.453169 123.9185 3.955414 -5.896919 
5.956174 
1 1 1 -7  25  15 o 88.16644 3.120916  1659.420       115.0697 1571.724       
167.3873 1737.998       158.4468 85.88781 4.642074 90.44508 4.172724 -4.557274 
6.241833 
1 1 1 -7  25  16 o 82.21028 4.414244  1439.042       152.3566 1439.042       
152.3566 0.000000       0.000000 82.21028 4.414244 ?        ?        ? ? 
1 1 1 -7  25  17 o 109.6088 3.372821  2572.424       154.1192 2517.341       
230.6014 2616.890       207.1886 108.4232 5.065948 110.7944 4.454195 -2.371185 
6.745641 
1 1 1 -7  25  18 o 46.58535 3.363796  461.4801       65.12247 483.5910       
100.3937 445.4179       85.56712 47.49019 5.035281 45.68052 4.461665 1.809669 
6.727592 
1 1 1 -7  25  19 o 100.9310 2.601670  2172.619       107.1013 2132.765       
172.4125 2197.662       136.6683 100.0220 4.105768 101.8400 3.196469 -1.818016 
5.203340 
1 1 1 -7  25  20 o 15.87844 4.825311  -20.64331      63.44333 -130.7243      
102.3907 47.95812       80.82964 13.42811 6.426922 18.32876 7.199247 -4.900651 
9.650621 
1 1 1 -7  25  21 o 19.11199 5.225774  30.71549       68.52473 -81.92947      
103.4574 118.7579       91.46426 14.78229 6.878017 23.44169 7.869418 -8.659395 
10.45155 
1 1 1 -7  25  22 f 22.65954 5.868589  87.10348       77.38415 16.40641       
107.6294 162.7598       111.3404 18.58944 7.897853 26.72964 8.682468 -8.140202 
11.73718 
1 1 1 -7  25  23 o 67.54725 3.491794  982.1195       98.65054 891.6289       
133.0674 1092.546       146.9961 64.11623 4.943388 70.97826 4.932890 -6.862030 
6.983587 
1 1 1 -7  25  24 o 45.35997 4.331800  461.4617       78.02288 333.6071       
107.0273 606.4744       113.9829 38.01294 6.965993 52.70699 5.151010 -14.69405 
8.663600 
1 1 1 -7  25  25 o 77.71355 2.954220  1309.274       95.97942 1234.734       
139.5553 1376.177       132.2129 75.48533 4.403570 79.94176 3.939320 -4.456429 
5.908440 
1 1 1 -7  25  26 o 28.01953 5.560783  188.0275       77.33837 60.14130       
113.3644 299.3646       105.7755 20.51907 8.353187 35.52000 7.342582 -15.00093 
11.12157 
1 1 1 -7  25  27 o 36.53453 5.418283  322.5450       80.12403 318.2706       
119.4453 326.0418       108.0367 36.04003 8.092957 37.02903 7.206609 
-0.9889984     10.83657 
1 1 1 -7  25  28 o 66.91087 3.441836  987.4520       96.02727 1012.082       
145.1135 968.2645       128.0818 67.46841 5.123046 66.35334 4.597753 1.115074 
6.883671 
1 1 1 -7  25  29 o 42.77142 5.187468  452.7354       84.66969 395.5412       
142.1521 484.1831       105.4075 39.18715 8.848998 46.35568 5.416137 -7.168530 
10.37494 
1 1 1 -7  25  30 o 23.74293 5.839785  123.0289       70.94529 207.9997       
117.2431 73.94212       89.11161 28.05123 8.889863 19.43464 7.575137 8.616589 
11.67957 
1 1 1 -7  25  31 o 77.31952 2.959177  1312.287       90.88808 1371.404       
157.1289 1282.562       111.4191 77.95469 4.801035 76.68435 3.460778 1.270340 
5.918355 
1 1 1 -7  25  32 o 49.81805 4.604653  619.9267       90.72248 554.2511       
148.9478 658.6621       114.3895 46.29963 7.662626 53.33649 5.108374 -7.036861 
9.209306 
1 1 1 -7  25  33 o 56.93412 6.773717  905.1088       142.7604 1040.085       
263.7936 849.2036       169.7699 56.04679 11.60277 57.82145 6.993472 -1.774651 
13.54743 
1 1 1 -7  26  1  o 85.92216 3.517946  1609.425       118.7472 1526.454       
205.1583 1651.227       145.6191 83.84338 5.828294 88.00095 3.941415 -4.157578 
7.035891 
1 1 1 -7  26  2  o 51.02704 4.729653  634.4985       87.16819 408.4902       
143.0829 767.8854       109.9213 42.11109 8.390508 59.94299 4.367818 -17.83191 
9.459306 
1 1 1 -7  26  3  o 98.67017 3.318538  1950.013       127.1950 2443.459       
238.8328 1754.644       150.2801 106.5420 5.339423 90.79839 3.942252 15.74358 
6.637076 
1 1 1 -7  26  4  o 36.77195 5.765100  301.2947       85.40643 363.4134       
136.6017 261.4285       109.4328 39.75216 8.440001 33.79174 7.855692 5.960426 
11.53020 
1 1 1 -7  26  5  o 58.10601 4.219218  743.1487       96.53162 686.0517       
164.6758 773.0394       119.1495 56.06764 6.995821 60.14439 4.718654 -4.076748 
8.438437 
1 1 1 -7  26  6  o 120.4546 4.028178  3148.217       175.2906 3070.988       
349.9613 3174.082       202.5278 118.6854 7.023340 122.2238 3.946843 -3.538406 
8.056355 
1 1 1 -7  26  7  o 92.26207 3.539426  1802.301       125.8514 1868.650       
230.6079 1774.158       150.1886 93.12304 5.898452 91.40110 3.913873 1.721939 
7.078851 
1 1 1 -7  26  8  o 71.35419 2.961855  1070.120       87.38876 1154.430       
138.0054 1013.684       112.9103 73.60937 4.465644 69.09900 3.892091 4.510368 
5.923711 
1 1 1 -7  26  9  o 75.31149 2.955685  1198.909       92.48051 1254.772       
142.7182 1158.474       121.4220 76.75540 4.428854 73.86757 3.915295 2.887833 
5.911369 
1 1 1 -7  26  10 o 96.61488 2.771135  1976.803       110.8439 2012.474       
172.3053 1951.619       144.7777 97.26945 4.219326 95.96031 3.593612 1.309135 
5.542271 
1 1 1 -7  26  11 o 51.08391 3.608438  557.2286       76.79075 569.0869       
116.5472 548.1312       102.0818 51.50624 5.389681 50.66157 4.799442 0.8446770 
7.216877 
1 1 1 -7  26  12 o 161.9339 3.481054  5612.244       227.6415 5586.921       
376.6380 5626.818       285.7384 161.2355 5.563965 162.6322 4.184882 -1.396652 
6.962108 
1 1 1 -7  26  13 o 50.08454 3.739099  542.3154       77.89546 498.7266       
115.2032 579.0283       105.7274 48.12823 5.701456 52.04085 4.839096 -3.912621 
7.478199 
1 1 1 -7  26  14 o 55.59441 3.440547  678.7046       78.08925 553.2748       
117.3256 778.4603       104.6311 50.71156 5.510700 60.47725 4.120880 -9.765690 
6.881095 
1 1 1 -7  26  15 o 47.59590 4.212702  489.5269       84.11446 502.7646       
121.9045 477.4969       116.2113 48.19344 6.024942 46.99837 5.889609 1.195068 
8.425404 
1 1 1 -7  26  16 o 59.84286 3.603597  763.9347       89.42441 804.4168       
139.1419 735.4473       116.7221 61.09185 5.424951 58.59388 4.744845 2.497967 
7.207194 
1 1 1 -7  26  17 o 78.31493 4.517734  1312.877       148.5403 0.000000       
0.000000 1312.877       148.5403 ?        ?        78.31493 4.517734 ? ? 
1 1 1 -7  26  18 o 50.57830 5.975439  556.9128       126.8858 556.9128       
126.8858 0.000000       0.000000 50.57830 5.975439 ?        ?        ? ? 
1 1 1 -7  26  19 o 80.34665 3.066769  1393.453       102.6657 1266.390       
149.8363 1505.897       140.9530 76.74535 4.650353 83.94794 3.999314 -7.202583 
6.133539 
1 1 1 -7  26  20 o 34.62810 5.235163  275.6991       73.59875 299.7458       
109.0881 255.6086       99.71148 36.01469 7.465612 33.24151 7.341141 2.773174 
10.47033 
1 1 1 -7  26  21 o 73.37384 2.922127  1154.045       89.83608 1178.234       
131.8121 1133.063       122.7647 74.04845 4.239947 72.69923 4.022209 1.349213 
5.844255 
1 1 1 -7  26  22 o 45.12951 4.201448  451.0151       79.01091 390.2358       
111.6469 511.9938       111.8299 41.91823 6.344024 48.34079 5.510174 -6.422558 
8.402896 
1 1 1 -7  26  23 o 25.45602 5.836031  147.2275       74.45151 88.11224       
106.9065 202.8983       103.7453 21.80828 8.343270 29.10378 8.162528 -7.295500 
11.67206 
1 1 1 -7  26  24 o 40.31161 4.758872  374.5715       77.88710 345.5255       
115.1772 399.0465       105.7266 38.29333 7.429301 42.32990 5.949195 -4.036568 
9.517743 
1 1 1 -7  26  25 o 77.24022 3.328414  1317.605       106.6324 1120.888       
153.5570 1500.807       148.1883 71.32628 5.127919 83.15415 4.244740 -11.82787 
6.656829 
1 1 1 -7  26  26 o 44.34069 4.602918  459.6764       81.40391 357.5247       
116.4283 557.3703       113.8597 38.64943 7.440768 50.03195 5.420552 -11.38251 
9.205835 
1 1 1 -7  26  27 o 18.53929 5.578442  25.28874       76.44710 58.26513       
111.7872 -3.681967      104.7780 20.05984 8.251785 17.01874 7.508933 3.041100 
11.15688 
1 1 1 -7  26  28 o 93.08417 3.088933  1909.446       120.4226 1819.459       
173.4162 1993.251       167.3523 90.78199 4.549995 95.38635 4.178945 -4.604362 
6.177866 
1 1 1 -7  26  29 o 22.02707 6.046177  102.3982       79.78830 129.1842       
119.2523 80.68898       107.3581 23.46330 8.859658 20.59084 8.229914 2.872465 
12.09235 
1 1 1 -7  26  30 o 44.42593 4.442128  443.6880       80.82267 591.3741       
132.4338 356.0361       102.0256 50.01192 6.307339 38.83994 6.256793 11.17198 
8.884255 
1 1 1 -7  26  31 o 16.67204 5.252286  -0.5979998     71.53725 49.89911       
119.6073 -28.72312      89.26304 19.01800 8.208696 14.32608 6.554643 4.691915 
10.50457 
1 1 1 -7  26  32 o 19.61079 5.920213  62.37461       82.09317 118.1502       
140.6146 33.53381       101.1142 21.96318 9.162563 17.25839 7.499540 4.704792 
11.84043 
1 1 1 -7  27  1  o 125.2151 4.155484  3425.067       197.5225 3468.032       
367.7849 3407.651       234.1579 124.6102 7.030098 125.8200 4.432820 -1.209824 
8.310967 
1 1 1 -7  27  2  o 51.12506 4.137124  537.1119       85.61626 710.8428       
146.9861 447.9003       105.3290 56.89523 6.153488 45.35490 5.531525 11.54033 
8.274248 
1 1 1 -7  27  3  o 24.24875 6.071208  123.5872       76.40993 100.8448       
127.1149 136.4540       95.61198 23.74754 9.094076 24.74995 8.045871 -1.002411 
12.14242 
1 1 1 -7  27  4  o 81.75355 3.830823  1484.972       120.7660 1348.098       
212.8827 1549.923       146.6463 78.36098 6.470855 85.14612 4.102299 -6.785141 
7.661646 
1 1 1 -7  27  5  o 31.42183 5.300619  241.8505       85.36696 -4.221428      
136.0758 401.5473       109.6221 19.93167 8.681155 42.91199 6.084719 -22.98032 
10.60124 
1 1 1 -7  27  6  o 52.10897 4.091053  561.2060       84.60565 676.5543       
151.1535 508.5792       102.0978 55.60666 6.474593 48.61128 5.002652 6.995384 
8.182107 
1 1 1 -7  27  7  o 131.9643 4.140308  3787.617       185.4378 3760.321       
404.9419 3794.861       208.5950 130.3800 7.397802 133.5486 3.720366 -3.168579 
8.280616 
1 1 1 -7  27  8  o 48.67994 3.970609  511.7698       80.99645 525.0134       
118.8162 500.2726       110.7059 49.23297 5.748318 48.12691 5.479033 1.106056 
7.941219 
1 1 1 -7  27  9  o 123.4570 3.253302  3295.336       163.9898 3119.676       
260.3915 3410.806       211.1170 120.3942 5.151603 126.5199 3.974528 -6.125702 
6.506603 
1 1 1 -7  27  10 o 30.58666 5.370626  223.5418       75.47739 95.28131       
117.5667 313.4707       98.44354 23.21272 8.787468 37.96061 6.176965 -14.74789 
10.74125 
1 1 1 -7  27  11 o 17.73780 5.340313  5.617619       69.16290 32.28041       
106.3481 -13.92477      91.04702 19.38162 8.019427 16.09398 7.054401 3.287640 
10.68063 
1 1 1 -7  27  12 o 93.20855 2.861178  1868.089       110.5124 1742.544       
166.9256 1966.056       147.4555 90.26204 4.404928 96.15506 3.652665 -5.893021 
5.722355 
1 1 1 -7  27  13 o 58.34547 3.298155  729.2344       79.64022 735.0901       
123.6037 725.0777       104.1380 58.44259 5.037593 58.24836 4.258400 0.1942329 
6.596311 
1 1 1 -7  27  14 o 33.79648 5.250552  257.2452       71.81526 298.8365       
111.6578 227.9014       93.78775 36.06130 7.611644 31.53165 7.234366 4.529644 
10.50110 
1 1 1 -7  27  15 o 99.08306 3.246592  2115.170       134.2740 2022.724       
198.1294 2193.695       182.6037 96.93726 4.868321 101.2289 4.296614 -4.291595 
6.493184 
1 1 1 -7  27  16 o 49.97991 4.013632  542.5728       83.83759 614.8176       
121.1529 476.1887       116.1347 53.24516 5.419693 46.71467 5.921476 6.530491 
8.027264 
1 1 1 -7  27  17 o 34.30672 5.640311  276.3982       79.70329 255.3069       
116.6088 294.8916       109.1914 32.90316 8.409011 35.71027 7.519372 -2.807117 
11.28062 
1 1 1 -7  27  18 o 109.6931 3.227459  2604.909       146.8262 2500.282       
223.0534 2684.906       195.0415 107.4982 4.942296 111.8880 4.152071 -4.389778 
6.454919 
1 1 1 -7  27  19 o 48.15662 6.281045  512.5965       126.9892 0.000000       
0.000000 512.5965       126.9892 ?        ?        48.15662 6.281045 ? ? 
1 1 1 -7  27  20 o 43.66121 5.719312  392.0326       99.16488 212.7245       
121.7662 745.1543       170.8792 29.78135 8.989338 57.54108 7.073466 -27.75973 
11.43862 
1 1 1 -7  27  21 o 41.42244 4.785742  394.1404       79.68474 307.0089       
112.1563 482.9543       113.2339 36.07191 7.639519 46.77297 5.766373 -10.70107 
9.571485 
1 1 1 -7  27  22 o 66.00778 3.087373  956.5328       84.21823 794.0673       
121.8386 1105.182       116.5430 60.34917 4.808776 71.66640 3.873393 -11.31723 
6.174747 
1 1 1 -7  27  23 o 27.40984 5.947259  182.1180       75.26884 164.1797       
109.5490 198.1588       103.5930 26.25816 8.612338 28.56152 8.204096 -2.303364 
11.89452 
1 1 1 -7  27  24 o 24.77050 5.892520  135.1444       75.94160 209.3833       
111.0210 69.86398       104.1073 29.10399 8.536619 20.43701 8.124858 8.666985 
11.78504 
1 1 1 -7  27  25 f 45.31528 4.255547  465.4042       79.55357 572.9221       
114.6633 365.6145       110.4656 50.70066 5.386814 39.92991 6.589457 10.77074 
8.511093 
1 1 1 -7  27  26 o 37.35566 5.187611  332.1641       79.62039 409.9442       
116.8393 264.7299       108.7914 42.11238 6.608459 32.59893 7.998343 9.513451 
10.37522 
1 1 1 -7  27  27 o 38.05175 4.795174  350.6658       72.88564 243.3689       
103.3750 456.7297       102.7793 31.11381 7.897183 44.98970 5.441439 -13.87589 
9.590347 
1 1 1 -7  27  28 o 51.01743 3.763391  557.7444       78.14424 731.0635       
131.8249 463.8442       97.03039 56.63856 5.543786 45.39631 5.091061 11.24224 
7.526783 
1 1 1 -7  27  29 o 31.72932 6.356195  267.8492       87.30961 327.6072       
138.4367 228.3808       112.5065 34.32024 9.354065 29.13839 8.608505 5.181847 
12.71239 
1 1 1 -7  27  30 o 39.08522 5.765754  403.0430       89.76443 434.6114       
144.0059 382.9824       114.7953 39.53806 8.891479 38.63237 7.342837 0.9056931 
11.53151 
1 1 1 -7  27  31 o 20.38780 5.617525  93.33659       77.24647 -19.04638      
128.3925 157.0955       96.70739 16.93044 7.794141 23.84517 8.091829 -6.914734 
11.23505 
1 1 1 -7  28  1  o 42.02666 4.740614  387.4849       81.58108 444.5831       
133.9404 353.8092       102.8629 44.19768 7.218271 39.85564 6.147379 4.342037 
9.481229 
1 1 1 -7  28  2  o 31.37808 5.860231  212.7415       80.08877 361.4628       
131.8925 125.8740       100.8004 38.88055 8.321435 23.87562 8.253662 15.00493 
11.72046 
1 1 1 -7  28  3  o 44.33728 4.867453  429.3722       89.22872 511.8852       
142.1080 375.6687       114.6458 47.66905 7.100729 41.00550 6.659431 6.663544 
9.734905 
1 1 1 -7  28  4  o 77.47572 3.721468  1285.238       116.0032 1389.997       
197.0981 1229.717       143.4872 79.47685 5.906944 75.47460 4.528280 4.002251 
7.442937 
1 1 1 -7  28  5  o 28.49829 6.200486  168.9381       80.14893 278.4648       
137.2554 112.2669       98.73030 33.90575 9.346523 23.09082 8.150253 10.81493 
12.40097 
1 1 1 -7  28  6  o 62.30794 3.865129  826.2438       96.12829 911.4490       
166.8577 783.9150       117.6064 64.33614 6.177495 60.27974 4.647088 4.056400 
7.730257 
1 1 1 -7  28  7  o 53.78041 4.200691  560.8557       87.72823 845.0385       
167.9828 454.2802       102.8714 61.85328 6.468792 45.70754 5.360778 16.14574 
8.401381 
1 1 1 -7  28  8  o 91.75883 3.332585  1789.309       124.1823 1918.775       
206.2140 1715.644       155.5497 94.04823 5.222623 89.46944 4.141098 4.578796 
6.665169 
1 1 1 -7  28  9  o 17.36986 5.189703  15.52198       65.06747 -0.6781750     
97.55428 28.50458       87.33081 17.09429 7.396324 17.64544 7.281927 
-0.5511513     10.37941 
1 1 1 -7  28  10 o 42.21703 4.125421  390.3058       72.94259 368.9940       
104.6739 410.4251       101.7030 41.02344 6.077535 43.41061 5.580319 -2.387173 
8.250842 
1 1 1 -7  28  11 o 56.40408 3.709560  696.3044       86.70282 641.8824       
130.2463 739.6115       116.1871 54.23528 5.720114 58.57286 4.724791 -4.337582 
7.419120 
1 1 1 -7  28  12 o 78.47920 2.979037  1334.036       96.72629 1228.780       
146.2407 1415.893       128.9655 75.53482 4.611497 81.42358 3.772630 -5.888763 
5.958074 
1 1 1 -7  28  13 o 75.86737 3.186768  1237.631       99.96453 1245.005       
155.5420 1232.442       130.4798 75.89824 4.881317 75.83650 4.098133 
0.6173706E-01  6.373535 
1 1 1 -7  28  14 o 79.99622 2.953465  1371.808       98.52987 1385.590       
148.4174 1360.947       131.7512 80.25751 4.404740 79.73492 3.935745 0.5225983 
5.906930 
1 1 1 -7  28  15 o 31.34245 5.097606  242.1096       79.55519 18.56956       
122.3469 405.8636       104.7156 19.65331 8.387262 43.03160 5.796220 -23.37830 
10.19521 
1 1 1 -7  28  16 o 70.05110 3.412059  1071.256       99.04880 879.9814       
140.1619 1262.063       139.9906 63.55397 5.253011 76.54823 4.355968 -12.99426 
6.824118 
1 1 1 -7  28  17 o 123.3637 3.726639  3328.996       192.5524 3149.063       
276.3001 3498.897       268.4882 119.9162 5.488126 126.8112 5.042997 -6.894958 
7.453278 
1 1 1 -7  28  18 o 29.52884 6.152699  208.9716       82.64497 251.4249       
116.8192 166.4333       116.9361 32.29269 8.499929 26.76499 8.897977 5.527706 
12.30540 
1 1 1 -7  28  19 o 49.36374 4.560780  546.9547       94.20716 575.3806       
130.6920 516.2092       135.9199 50.85524 6.121166 47.87223 6.762703 2.983009 
9.121559 
1 1 1 -7  28  20 o 49.85600 4.430766  556.5579       92.72350 561.7498       
130.3002 551.2316       131.9775 50.12846 6.191302 49.58354 6.339914 0.5449181 
8.861531 
1 1 1 -7  28  21 o 28.01215 9.151872  190.8859       123.7047 0.000000       
0.000000 190.8859       123.7047 ?        ?        28.01215 9.151872 ? ? 
1 1 1 -7  28  22 o 36.79908 5.899936  333.3847       89.65525 399.6637       
127.5016 268.5616       126.0935 40.87337 7.712042 32.72478 8.930923 8.148586 
11.79987 
1 1 1 -7  28  23 o 21.13661 5.739490  58.28219       82.83747 164.4639       
110.0843 -80.33166      125.7777 26.03913 8.633354 16.23410 7.565194 9.805025 
11.47898 
1 1 1 -7  28  24 o 84.52406 3.085737  1532.696       107.0055 1706.493       
174.0291 1427.047       135.6857 88.01827 4.709449 81.02984 3.988505 6.988434 
6.171474 
1 1 1 -7  28  25 o 48.24834 4.100651  528.3174       82.61703 525.9092       
122.9645 530.2990       111.5447 47.95091 6.108071 48.54576 5.472917 
-0.5948524     8.201303 
1 1 1 -7  28  26 o 30.06044 6.035320  233.9292       79.67150 227.4228       
116.4991 239.6459       109.1998 29.54472 8.767638 30.57616 8.296316 -1.031437 
12.07064 
1 1 1 -7  28  27 o 25.82836 5.175286  136.2412       79.97594 -76.62566      
115.7712 330.5561       110.6113 15.23381 7.143561 36.42291 7.490252 -21.18911 
10.35057 
1 1 1 -7  28  28 o 36.43317 5.954747  350.0187       88.45203 362.4180       
137.1276 341.1838       115.7517 36.43716 9.004277 36.42917 7.794808 
0.7984161E-02  11.90949 
1 1 1 -7  28  29 o 56.55285 4.249349  742.1516       98.89240 878.8996       
160.3188 658.1595       125.6444 60.25225 6.337708 52.85344 5.662273 7.398804 
8.498698 
1 1 1 -7  28  30 o 69.54527 3.913522  1140.591       112.1726 1181.286       
176.7448 1113.144       145.1522 69.83375 6.028404 69.25678 4.992089 0.5769653 
7.827044 
1 1 1 -7  29  1  o 99.20988 3.627749  2153.830       146.2762 2252.946       
240.7308 2095.814       184.1765 100.4183 5.710049 98.00145 4.476336 2.416870 
7.255497 
1 1 1 -7  29  2  o 27.96756 6.353128  183.2218       81.02996 224.7627       
139.5086 162.0731       99.54185 29.93301 9.718813 26.00211 8.184962 3.930899 
12.70626 
1 1 1 -7  29  3  o 34.95315 5.618446  311.1448       81.01025 211.2251       
134.0286 368.6606       101.6871 29.26714 9.526112 40.63916 5.959944 -11.37202 
11.23689 
1 1 1 -7  29  4  o 27.67510 5.762730  189.4138       83.52714 25.53095       
136.3716 287.8073       105.6672 20.49029 8.803163 34.85991 7.439123 -14.36962 
11.52546 
1 1 1 -7  29  5  o 27.21152 6.308178  155.7647       82.57256 258.2441       
137.8233 98.38396       103.1306 32.23668 9.529279 22.18637 8.268331 10.05031 
12.61636 
1 1 1 -7  29  6  o 84.94523 3.724342  1591.404       123.2342 1553.247       
217.4390 1609.461       149.5765 83.49323 6.203079 86.39722 4.123676 -2.903992 
7.448684 
1 1 1 -7  29  7  o 57.83922 4.016616  692.0145       91.56899 874.2157       
167.0302 613.7261       109.4884 62.59554 6.355834 53.08290 4.912860 9.512638 
8.033233 
1 1 1 -7  29  8  o 67.18683 3.704141  979.1792       95.57337 1007.312       
175.3429 967.2885       113.9958 67.32494 6.203452 67.04871 4.049670 0.2762222 
7.408282 
1 1 1 -7  29  9  o 106.8195 2.925345  2453.225       129.2011 2477.971       
201.2375 2435.871       168.5209 107.0474 4.477685 106.5915 3.765755 0.4559021 
5.850691 
1 1 1 -7  29  10 o 102.7587 3.100270  2283.700       133.4379 2218.331       
193.6571 2342.792       184.1229 101.2421 4.556103 104.2754 4.205783 -3.033386 
6.200540 
1 1 1 -7  29  11 o 22.67768 5.748491  104.2185       69.58502 136.0703       
104.8754 79.16830       93.00637 24.66048 8.426626 20.69487 7.821290 3.965607 
11.49698 
1 1 1 -7  29  12 o 63.10654 3.419248  851.6121       89.38767 949.0674       
140.7859 785.7922       115.7004 65.97048 5.083122 60.24260 4.574592 5.727886 
6.838495 
1 1 1 -7  29  13 o 35.49694 5.548631  300.9601       79.95152 279.7438       
122.2920 316.7978       105.6598 34.02248 8.561933 36.97140 7.059924 -2.948917 
11.09726 
1 1 1 -7  29  14 o 63.67049 3.296826  878.3339       87.60851 893.2161       
131.6217 866.4958       117.3902 64.04739 4.894938 63.29359 4.417671 0.7538033 
6.593651 
1 1 1 -7  29  15 o 26.96059 5.890681  167.0427       73.72121 216.7725       
112.2724 129.3493       97.74567 29.94215 8.521725 23.97904 8.135152 5.963110 
11.78136 
1 1 1 -7  29  16 o 27.25253 5.969444  175.6260       74.90606 195.5239       
112.7918 159.9256       100.1906 28.46588 8.663670 26.03918 8.214493 2.426701 
11.93889 
1 1 1 -7  29  17 o 106.7501 3.463924  2490.761       155.0326 2480.551       
224.8256 2500.017       214.0683 106.4257 5.031765 107.0746 4.761975 
-0.6488724     6.927847 
1 1 1 -7  29  18 o 78.06628 3.404191  1341.623       110.6643 1448.185       
151.6918 1220.381       161.8030 81.64435 4.425446 74.48822 5.173924 7.156128 
6.808382 
1 1 1 -7  29  19 o 34.42214 6.142786  295.0260       89.82739 350.1341       
126.3053 238.6256       127.7777 37.97188 8.157471 30.87240 9.186455 7.099480 
12.28557 
1 1 1 -7  29  20 o 78.99469 3.509725  1373.443       116.3403 1316.734       
163.4872 1431.623       165.5930 77.28718 5.038455 80.70221 4.887396 -3.415031 
7.019449 
1 1 1 -7  29  21 o 21.75056 5.988248  65.05674       86.90289 167.5770       
121.5437 -42.16804      124.3012 26.30175 9.066015 17.19936 7.825844 9.102386 
11.97650 
1 1 1 -7  29  22 o 77.78459 3.368679  1330.603       109.7464 1288.885       
149.2604 1379.700       161.9212 76.55304 4.644117 79.01614 4.881001 -2.463097 
6.737358 
1 1 1 -7  29  23 o 43.76623 11.80333  553.9719       221.8668 0.000000       
0.000000 553.9719       221.8668 ?        ?        43.76623 11.80333 ? ? 
1 1 1 -7  29  24 o 36.38799 6.172886  341.9999       93.36253 309.0047       
132.0332 374.9963       132.0359 34.33770 9.035698 38.43829 8.412743 -4.100597 
12.34577 
1 1 1 -7  29  25 o 68.45877 3.601963  1021.783       101.7145 806.8860       
132.4443 1330.760       158.8111 59.77760 5.277351 77.13995 4.903684 -17.36235 
7.203926 
1 1 1 -7  29  26 o 50.75221 3.937648  594.2584       82.85675 562.7482       
124.9222 619.0085       110.7143 49.15211 6.053669 52.35232 5.037198 -3.200207 
7.875296 
1 1 1 -7  29  27 o 42.79615 4.875759  450.5329       85.21455 434.6087       
124.9838 464.3656       116.4874 41.42374 7.458590 44.16855 6.281841 -2.744808 
9.751517 
1 1 1 -7  29  28 o 49.25937 4.578893  585.6945       93.58508 644.4935       
146.0099 544.6961       121.9218 50.94219 6.826938 47.57655 6.103931 3.365639 
9.157786 
1 1 1 -7  29  29 o 42.82937 5.480237  487.5103       93.56214 476.1275       
148.2262 495.0492       120.6303 40.86816 8.887117 44.79057 6.414916 -3.922409 
10.96047 
1 1 1 -7  30  1  o 30.50640 6.314548  245.7715       88.38232 186.3052       
136.6368 288.5518       115.8923 27.13921 9.587141 33.87360 8.220756 -6.734396 
12.62910 
1 1 1 -7  30  2  o 37.57990 6.009283  366.6003       91.86162 292.2932       
153.6134 407.9661       114.6132 33.02508 10.12260 42.13471 6.479116 -9.109634 
12.01857 
1 1 1 -7  30  3  o 18.20626 5.591867  10.31970       80.34645 -59.30280      
135.2610 48.28022       99.87660 17.41613 8.010234 18.99638 7.804618 -1.580250 
11.18373 
1 1 1 -7  30  4  f 29.62745 6.309531  224.0308       84.45751 195.3497       
140.9242 240.1062       105.5039 28.02311 9.752157 31.23180 8.008506 -3.208685 
12.61906 
1 1 1 -7  30  5  o 19.38965 5.528436  34.06631       79.39247 -135.5432      
137.5030 118.8873       97.23862 15.80475 7.536408 22.97455 8.090549 -7.169804 
11.05687 
1 1 1 -7  30  6  o 20.20917 5.954649  48.96757       83.55290 4.022199       
137.6814 75.16924       105.1229 19.64364 8.642159 20.77471 8.194174 -1.131069 
11.90930 
1 1 1 -7  30  7  o 20.67047 5.825442  57.75926       83.25214 -71.31568      
141.1360 126.6364       103.0990 17.65189 8.143827 23.68904 8.331938 -6.037146 
11.65088 
1 1 1 -7  30  8  f 40.58736 5.630091  401.6477       88.75308 359.7110       
150.7320 423.9034       109.8064 37.67004 9.520955 43.50469 6.011914 -5.834652 
11.26018 
1 1 1 -7  30  9  o 39.11762 5.398159  364.5795       85.08652 338.2942       
133.0603 382.7632       110.6707 37.04700 8.694848 41.18825 6.400008 -4.141254 
10.79632 
1 1 1 -7  30  10 o 21.09801 5.695747  83.86333       71.06956 54.36644       
109.0273 105.6573       93.71642 20.03073 8.179294 22.16529 7.928764 -2.134565 
11.39149 
1 1 1 -7  30  11 o 101.9782 3.103327  2262.511       132.2451 2219.951       
195.5228 2298.399       179.5431 100.9113 4.615075 103.0451 4.150137 -2.133804 
6.206655 
1 1 1 -7  30  12 o 46.28496 4.096153  478.0486       79.29791 463.4609       
116.0377 490.8304       108.6180 45.48801 6.076076 47.08191 5.495014 -1.593906 
8.192307 
1 1 1 -7  30  13 o 77.70978 3.277815  1313.788       106.7320 1377.158       
157.0160 1259.356       145.5222 79.39886 4.710322 76.02070 4.559513 3.378166 
6.555631 
1 1 1 -7  30  14 o 24.71101 6.023871  141.6179       76.23167 116.2771       
116.6170 160.5261       100.7343 23.51051 8.786280 25.91152 8.243143 -2.401005 
12.04774 
1 1 1 -7  30  15 o 84.33113 3.131279  1554.697       110.0181 1490.645       
163.8671 1607.265       148.4509 82.53012 4.729338 86.13213 4.105241 -3.602013 
6.262559 
1 1 1 -7  30  16 o 93.81764 3.224514  1919.243       125.9405 1949.304       
191.3418 1896.266       167.2859 94.23626 4.836297 93.39902 4.266170 0.8372421 
6.449029 
1 1 1 -7  30  17 o 89.46619 3.241700  1738.835       120.8396 1851.864       
184.6109 1654.105       159.8393 91.82595 4.788648 87.10643 4.370735 4.719521 
6.483400 
1 1 1 -7  30  18 o 51.37148 4.366800  596.4028       93.74644 523.7754       
129.2733 676.9613       136.1488 47.92556 6.424845 54.81741 5.915839 -6.891857 
8.733601 
1 1 1 -7  30  19 o 41.67418 5.339605  414.2574       91.40235 391.0848       
128.8583 437.7229       129.6704 40.01898 7.952005 43.32937 7.128192 -3.310387 
10.67921 
1 1 1 -7  30  20 o 26.19235 6.493875  168.2076       88.45271 156.3061       
122.4622 181.1889       127.8967 25.46203 9.068001 26.92267 9.298010 -1.460638 
12.98775 
1 1 1 -7  30  21 o 21.91184 6.299258  84.25720       90.78820 99.26269       
129.9874 69.96561       126.8576 22.62075 9.049753 21.20293 8.764962 1.417820 
12.59852 
1 1 1 -7  30  22 o 39.88829 5.637549  393.6002       93.87593 204.8312       
126.9630 621.2698       139.4326 28.01332 9.271617 51.76326 6.415993 -23.74994 
11.27510 
1 1 1 -7  30  23 o 16.17129 5.311264  -66.90514      87.77528 -90.35280      
127.0131 -45.46989      121.4403 15.76093 7.410069 16.58164 7.611108 
-0.8207083     10.62253 
1 1 1 -7  30  24 o 17.87644 5.631212  -6.602757      86.03201 40.59151       
126.8794 -46.76763      117.0495 19.62094 8.461575 16.13194 7.432627 3.488998 
11.26242 
1 1 1 -7  30  25 o 28.68843 11.77001  250.6656       226.8332 0.000000       
0.000000 250.6656       226.8332 ?        ?        28.68843 11.77001 ? ? 
1 1 1 -7  30  26 o 14.73907 4.978220  -108.4618      87.61179 -181.3401      
134.1952 -54.32203      115.6635 14.00306 6.847195 15.47508 7.228184 -1.472017 
9.956441 
1 1 1 -7  30  27 f 28.94366 6.516206  248.6499       89.04232 270.5107       
129.9076 229.2786       122.2873 30.03321 9.329880 27.85411 9.099292 2.179098 
13.03241 
1 1 1 -7  30  28 o 28.13382 6.171105  199.1981       87.02867 394.7213       
142.2915 82.34304       110.0028 36.53642 9.260202 19.73121 8.159583 16.80520 
12.34221 
1 1 1 -7  31  1  o 19.22401 5.898827  26.90845       88.59258 65.80664       
131.0878 -5.794944      120.1971 20.81794 8.774005 17.63008 7.886790 3.187860 
11.79765 
1 1 1 -7  31  2  o 62.39536 4.259913  908.5463       109.7471 788.4168       
161.8212 1010.860       149.3407 57.91058 6.655774 66.88014 5.318656 -8.969559 
8.519826 
1 1 1 -7  31  3  o 34.44317 6.249292  314.8784       91.04356 273.6966       
141.3425 344.0820       119.0248 31.76966 9.704205 37.11668 7.876740 -5.347021 
12.49858 
1 1 1 -7  31  4  o 53.73467 4.741942  654.6344       105.2286 788.3137       
168.4221 569.0366       134.7716 57.92521 6.925523 49.54414 6.479289 8.381077 
9.483884 
1 1 1 -7  31  5  o 55.05229 4.978063  767.1801       100.6177 528.4206       
161.9687 917.2228       128.3980 45.72146 8.749887 64.38312 4.750150 -18.66166 
9.956126 
1 1 1 -7  31  6  o 32.01438 5.776828  224.8536       80.80260 421.3767       
136.0005 117.6335       100.4551 41.27843 8.137407 22.75033 8.201802 18.52810 
11.55366 
1 1 1 -7  31  7  o 59.87218 3.922518  814.1233       96.33721 751.8167       
149.1441 858.7313       126.1960 57.40627 6.188249 62.33809 4.821844 -4.931820 
7.845037 
1 1 1 -7  31  8  o 28.45456 6.232518  193.0374       80.15010 260.9882       
132.7460 154.0538       100.5462 31.72952 9.343462 25.17961 8.250869 6.549902 
12.46504 
1 1 1 -7  31  9  o 27.48314 6.211514  181.2389       77.53284 218.0764       
134.0460 162.7189       95.04485 29.16360 9.526729 25.80268 7.973270 3.360916 
12.42303 
1 1 1 -7  31  10 o 56.79413 3.515313  716.2768       83.39670 671.2589       
121.4014 756.5040       114.7602 54.92164 5.265033 58.66661 4.659306 -3.744976 
7.030626 
1 1 1 -7  31  11 o 88.09503 3.168150  1707.211       115.9610 1640.273       
174.8204 1759.801       154.9575 86.25131 4.827780 89.93876 4.103806 -3.687447 
6.336299 
1 1 1 -7  31  12 o 28.07306 6.209430  197.7071       81.18412 196.5910       
116.3812 198.7649       113.3040 27.98922 8.855798 28.15689 8.706488 
-0.1676712     12.41886 
1 1 1 -7  31  13 o 40.35205 5.028568  383.1499       83.40098 406.7702       
119.4426 360.6768       116.5058 41.97168 6.778349 38.73243 7.429669 3.239258 
10.05714 
1 1 1 -7  31  14 o 44.46768 4.686632  466.5970       82.54977 347.8373       
117.3172 583.0601       116.1772 37.85693 7.649053 51.07843 5.417571 -13.22150 
9.373264 
1 1 1 -7  31  15 o 64.62431 3.511250  930.1870       94.21568 883.9756       
141.7887 966.7224       126.0737 62.89235 5.369884 66.35628 4.525468 -3.463932 
7.022501 
1 1 1 -7  31  16 o 74.01843 3.481880  1212.744       108.0770 1239.472       
157.2671 1188.824       148.7743 74.71918 5.013337 73.31767 4.833261 1.401512 
6.963760 
1 1 1 -7  31  17 o 48.07874 4.986695  538.6464       99.02241 562.0968       
155.4077 522.6182       128.4810 48.52502 7.628301 47.63246 6.424760 0.8925667 
9.973391 
1 1 1 -7  31  18 o 20.60259 5.795631  30.20674       89.25462 -140.3356      
133.3655 168.5581       120.1210 15.21642 7.295346 25.98876 9.007513 -10.77234 
11.59126 
1 1 1 -7  31  19 o 39.73037 5.528135  387.0654       90.35178 324.4701       
125.3511 454.7516       130.3488 35.61631 8.490943 43.84443 7.081314 -8.228127 
11.05627 
1 1 1 -7  31  20 f 46.05637 4.760905  498.2595       92.02769 481.9315       
128.6320 515.3799       131.7164 45.25669 6.769981 46.85606 6.695687 -1.599369 
9.521811 
1 1 1 -7  31  21 o 27.43263 6.163494  185.7684       91.62833 316.0059       
127.7611 47.83203       131.4831 34.65173 8.769957 20.21352 8.662707 14.43821 
12.32699 
1 1 1 -7  31  22 o 27.30654 6.386774  194.1054       87.37200 263.7293       
128.2301 133.7701       119.3704 31.08917 9.192156 23.52390 8.869488 7.565268 
12.77355 
1 1 1 -7  31  23 o 25.66494 6.086075  147.6072       88.55193 303.4955       
131.2178 17.24221       119.9959 33.11764 9.142769 18.21225 8.035610 14.90540 
12.17215 
1 1 1 -7  31  24 o 29.96928 5.816929  233.6349       94.26675 441.7795       
133.6038 27.29076       133.0247 40.98784 8.050919 18.95072 8.398175 22.03712 
11.63386 
1 1 1 -7  31  25 o 28.39714 6.454344  226.3788       92.34201 346.1740       
138.4986 130.5068       123.9001 34.29380 9.360294 22.50048 8.889270 11.79332 
12.90869 
1 1 1 -7  31  26 o 34.05960 6.056003  317.6860       90.95342 495.0904       
140.7775 190.5763       119.1628 42.65459 8.152611 25.46461 8.957435 17.18998 
12.11201 
1 1 1 -7  32  1  o 23.38128 6.510309  144.1067       94.40940 126.7903       
134.7383 160.8081       132.3246 22.60791 9.143228 24.15466 9.270267 -1.546749 
13.02062 
1 1 1 -7  32  2  f 24.77350 5.863343  124.1915       93.95485 -94.87503      
137.7435 314.7944       128.4837 15.95170 7.580568 33.59529 8.947075 -17.64359 
11.72669 
1 1 1 -7  32  3  o 22.61111 6.362516  107.8423       90.17752 170.5574       
140.9346 64.36632       117.3427 25.32215 9.610894 19.90009 8.340093 5.422060 
12.72503 
1 1 1 -7  32  4  o 65.21176 4.292740  998.2773       112.2872 969.5106       
185.5612 1014.896       141.0407 63.41666 6.969554 67.00687 5.013561 -3.590218 
8.585481 
1 1 1 -7  32  5  o 25.24710 6.677751  162.3756       100.8418 60.32199       
170.9347 216.8539       124.8900 22.14462 9.686511 28.34958 9.194613 -6.204966 
13.35550 
1 1 1 -7  32  6  o 22.01520 6.590787  81.07281       100.1200 16.42061       
196.8154 103.6441       116.2909 21.99995 9.955196 22.03044 8.639905 
-0.3048706E-01 13.18157 
1 1 1 -7  32  7  o 44.21639 5.469086  485.7221       94.46231 460.8532       
155.3089 500.3236       119.0051 41.89466 9.085436 46.53812 6.090850 -4.643467 
10.93817 
1 1 1 -7  32  8  o 99.87382 3.852800  2245.590       148.4674 2288.716       
268.2951 2226.555       178.2465 99.10267 6.448348 100.6450 4.218421 -1.542297 
7.705599 
1 1 1 -7  32  9  o 91.28587 3.672525  1799.084       128.5303 2059.552       
241.7953 1696.498       151.7447 94.58734 6.088860 87.98441 4.107985 6.602928 
7.345050 
1 1 1 -7  32  10 o 28.56322 6.078747  172.9284       81.57097 355.1212       
140.5850 80.46100       100.1539 36.72528 9.142595 20.40115 8.013590 16.32413 
12.15749 
1 1 1 -7  32  11 o 54.97043 3.818033  682.4066       87.97047 642.7029       
124.7135 721.7248       124.1068 53.24842 5.578632 56.69244 5.214245 -3.444019 
7.636065 
1 1 1 -7  32  12 o 47.33424 4.457682  508.6438       87.44143 636.0742       
132.9718 411.5551       116.0666 52.65995 6.014510 42.00852 6.580987 10.65143 
8.915364 
1 1 1 -7  32  13 o 25.82349 6.309793  168.5341       84.11095 137.0817       
125.0306 194.5350       113.6797 24.17538 9.085234 27.47160 8.758565 -3.296223 
12.61959 
1 1 1 -7  32  14 o 37.64300 5.934440  372.7467       92.62582 282.8362       
145.0069 434.7183       120.3872 32.18833 9.828619 43.09766 6.653461 -10.90934 
11.86888 
1 1 1 -7  32  15 o 65.70712 3.803044  975.5461       104.8046 969.9737       
151.2875 980.6879       145.3244 65.41238 5.508890 66.00186 5.244492 
-0.5894775     7.606087 
1 1 1 -7  32  16 o 54.01153 4.301844  679.2756       96.33984 608.6786       
141.9245 739.6038       131.1971 50.91799 6.639071 57.10507 5.472311 -6.187084 
8.603687 
1 1 1 -7  32  17 o 41.40570 5.527002  406.0876       92.72901 674.0712       
146.3284 226.2513       119.8708 53.61948 6.500205 29.19191 8.940825 24.42757 
11.05400 
1 1 1 -7  32  18 o 58.98017 4.188839  804.7655       102.5898 795.4807       
155.9374 811.8508       136.2209 58.25177 6.376206 59.70857 5.434105 -1.456802 
8.377679 
1 1 1 -7  32  19 o 44.75666 5.197593  488.1064       97.54950 476.0316       
134.1953 501.6364       142.0514 44.28188 7.218255 45.23145 7.480420 
-0.9495735     10.39519 
1 1 1 -7  32  20 o 44.14701 5.211692  477.2227       91.58759 659.1910       
137.1700 330.8379       123.0295 52.91611 6.174366 35.37790 8.397866 17.53822 
10.42338 
1 1 1 -7  32  21 o 21.57555 6.170986  98.69835       86.75900 129.5643       
127.1216 71.78567       118.7022 23.00440 9.030753 20.14671 8.412476 2.857695 
12.34197 
1 1 1 -7  32  22 o 18.92643 5.656927  12.57494       89.49177 -153.5936      
134.5912 144.2596       119.8146 14.48423 7.031019 23.36862 8.863863 -8.884392 
11.31385 
1 1 1 -7  32  23 o 23.14785 6.242018  128.2368       89.57231 230.9947       
131.7328 39.87473       122.1572 27.68412 9.444170 18.61158 8.164483 9.072536 
12.48404 
1 1 1 -7  32  24 o 76.30874 5.039555  1416.499       145.7070 1323.636       
171.3653 1658.835       276.8279 74.81331 5.455884 77.80417 8.474772 -2.990860 
10.07911 
1 1 1 -7  33  2  o 45.05136 5.836380  552.0103       107.6173 628.7942       
155.4705 481.3747       149.1161 49.05744 7.548563 41.04528 8.903512 8.012154 
11.67276 
1 1 1 -7  33  3  o 28.19613 6.910146  244.8624       96.99527 267.4019       
165.8445 233.1444       119.5795 28.32968 10.49959 28.06259 8.986608 0.2670918 
13.82029 
1 1 1 -7  33  4  o 32.60281 7.071006  297.3651       100.4246 461.4959       
181.3601 224.7855       120.6018 37.54253 10.87845 27.66309 9.036365 9.879442 
14.14201 
1 1 1 -7  33  5  o 29.08583 7.300705  259.6773       105.8050 289.4373       
203.2276 248.6116       123.9245 28.96147 11.40277 29.21019 9.120198 
-0.2487221     14.60141 
1 1 1 -7  33  6  o 21.01034 6.540082  -61.35218      99.31268 287.8315       
205.6103 -167.6072      113.4208 29.21746 11.48026 12.80321 6.268519 16.41425 
13.08016 
1 1 1 -7  33  7  o 34.83045 6.705120  367.5245       102.1809 285.6916       
180.0125 406.4258       124.1140 29.97314 10.96210 39.68776 7.724428 -9.714617 
13.41024 
1 1 1 -7  33  8  o 46.39425 6.421916  544.3967       110.0952 673.9444       
213.3058 497.3530       128.5400 47.46335 10.92406 45.32514 6.754922 2.138206 
12.84383 
1 1 1 -7  33  9  o 24.15245 6.553784  135.5531       87.57120 202.1198       
158.0062 106.0408       105.2076 26.81919 10.17715 21.48570 8.260385 5.333490 
13.10757 
1 1 1 -7  33  10 o 42.33269 5.355637  433.4309       91.84393 560.1962       
145.7409 349.9247       118.2880 47.78646 7.264363 36.87891 7.871494 10.90755 
10.71127 
1 1 1 -7  33  11 o 39.43068 5.373389  403.8975       85.63419 258.2667       
123.1816 540.1061       119.1301 30.70856 8.987117 48.15281 5.892789 -17.44425 
10.74678 
1 1 1 -7  33  12 o 26.79330 6.110578  167.8378       87.38545 321.4536       
132.3841 49.22071       116.3299 34.29552 9.058337 19.29109 8.203851 15.00442 
12.22116 
1 1 1 -7  33  13 o 45.66366 5.447337  534.1742       97.97686 459.5168       
152.2905 586.8980       127.9793 41.30144 9.031239 50.02588 6.093491 -8.724438 
10.89467 
1 1 1 -7  33  14 o 29.21836 6.441800  237.0965       88.16694 213.2098       
130.7218 257.0305       119.4174 27.70494 9.407862 30.73178 8.802231 -3.026848 
12.88360 
1 1 1 -7  33  15 o 39.75565 5.932884  415.7587       97.87827 493.0891       
138.3155 338.1925       138.5263 44.66980 7.375272 34.84149 9.295257 9.828308 
11.86577 
1 1 1 -7  33  16 o 78.47033 3.721160  1415.379       122.2189 1314.508       
174.2391 1513.083       171.4812 75.39883 5.504300 81.54183 5.009071 -6.143005 
7.442319 
1 1 1 -7  33  17 o 68.66045 4.013681  1112.484       113.9872 984.1738       
168.2884 1221.249       154.9418 64.23655 6.240123 73.08434 5.049695 -8.847794 
8.027363 
1 1 1 -7  33  18 o 21.60986 6.142195  88.69308       88.75114 183.2791       
133.0072 12.77907       119.1579 25.48556 9.411370 17.73416 7.895083 7.751402 
12.28439 
1 1 1 -7  33  19 o 32.09678 5.535252  240.8776       99.27644 558.6826       
149.1719 -11.79381      133.0101 46.60759 7.623448 17.58596 8.027397 29.02164 
11.07050 
1 1 1 -7  33  20 o 22.78905 6.442608  134.9499       92.78920 152.4153       
138.4052 120.6913       125.0554 23.58137 9.370241 21.99674 8.844624 1.584623 
12.88522 
1 1 1 -7  33  21 o 26.27957 5.729544  155.1109       88.90197 375.9568       
130.9956 -33.46045      121.0458 36.41875 8.678589 16.14038 7.482832 20.27837 
11.45909 
1 1 1 -7  33  22 f 31.22057 6.434146  294.0691       95.42099 395.9561       
134.2979 190.1923       135.6029 37.29187 8.724131 25.14927 9.459517 12.14260 
12.86829 
1 1 1 -7  34  7  o 36.79754 7.183319  435.5138       112.3305 421.8612       
204.4937 441.4136       134.4280 33.56338 11.74111 40.03169 8.279285 -6.468311 
14.36664 
1 1 1 -7  34  8  o 39.23043 6.397410  482.2087       107.0938 326.1345       
177.0358 572.2837       134.4924 30.61730 10.90299 47.84355 6.695693 -17.22624 
12.79482 
1 1 1 -7  34  9  o 27.82156 7.397960  233.4124       113.0084 359.0303       
193.4507 168.3372       139.2363 31.49983 11.37920 24.14330 9.456905 7.356525 
14.79592 
1 1 1 -7  34  10 o 34.58210 6.143934  411.5979       102.7239 151.6889       
206.4194 497.1527       118.4301 24.03944 10.57891 45.12477 6.251266 -21.08533 
12.28787 
1 1 1 -7  34  11 o 46.93045 5.590370  600.0587       102.6944 459.7210       
154.3076 711.6348       137.5896 39.58816 9.409897 54.27274 6.038441 -14.68459 
11.18074 
1 1 1 -7  34  12 o 60.31908 4.446921  861.3729       110.8880 1069.483       
175.8934 724.1070       142.8512 66.11784 6.336537 54.52033 6.240891 11.59750 
8.893842 
1 1 1 -7  34  13 o 17.94919 5.629429  20.57724       85.99976 -24.56027      
124.1282 62.24486       119.2617 16.60836 7.652869 19.29002 8.258055 -2.681660 
11.25886 
1 1 1 -7  34  14 o 18.52209 5.770095  25.42601       89.54329 -38.43898      
125.1678 92.37209       128.1516 16.27569 7.569973 20.76849 8.710426 -4.492796 
11.54019 
1 1 1 -7  34  15 f 30.89667 6.743719  292.7205       96.30560 283.3806       
145.5610 299.9919       128.4345 29.93775 9.927489 31.85558 9.129948 -1.917831 
13.48744 
1 1 1 -7  34  16 o 43.44416 5.970925  520.4454       104.8794 546.8494       
149.7752 495.0420       146.9100 44.75037 8.283480 42.13795 8.601847 2.612427 
11.94185 
1 1 1 -7  34  17 o 39.62286 6.179582  444.0454       100.0889 467.5727       
144.2428 422.1984       138.9971 40.72713 8.691861 38.51860 8.786380 2.208527 
12.35916 
1 1 1 -7  34  18 o 37.30482 6.697361  411.0413       104.5079 470.1855       
159.6248 366.6699       138.2599 39.45277 9.693633 35.15686 9.244027 4.295910 
13.39472 
1 1 1 -6  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -31 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -29 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -26 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -20 23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -19 21 o 28.47629 5.415215  188.5864       61.30330 231.9885       
115.7366 171.6608       72.27477 30.13301 8.676898 26.81956 6.481485 3.313450 
10.83043 
1 1 1 -6  -19 22 o 69.75425 3.456495  1109.451       88.72461 1036.915       
169.0347 1137.035       104.2384 67.06261 6.003664 72.44588 3.427166 -5.383270 
6.912991 
1 1 1 -6  -19 23 o 76.44283 3.409278  1331.730       96.36539 1300.105       
184.0893 1343.667       113.0991 74.43498 5.890777 78.45068 3.433868 -4.015694 
6.818556 
1 1 1 -6  -19 24 o 29.14714 5.788327  164.7402       67.90301 440.7530       
146.7313 89.52143       76.59866 39.01129 9.114282 19.28300 7.137842 19.72829 
11.57665 
1 1 1 -6  -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -18 19 o 27.47501 4.849565  157.8605       49.86172 216.5611       
101.1633 139.0242       57.30605 30.23401 7.887689 24.71601 5.644241 5.517998 
9.699129 
1 1 1 -6  -18 20 o 22.71635 5.412621  95.99580       54.41607 171.7585       
111.0108 72.03355       62.43115 26.84419 8.664917 18.58850 6.488841 8.255690 
10.82524 
1 1 1 -6  -18 21 o 22.60204 5.342443  61.90130       59.25166 238.2424       
117.4494 1.699537       68.62441 30.84319 8.696122 14.36089 6.208402 16.48230 
10.68489 
1 1 1 -6  -18 22 o 23.05767 5.186789  135.5947       63.27298 0.3024355E-01  
124.1828 183.1278       73.53374 18.38858 8.136078 27.72676 6.435477 -9.338181 
10.37358 
1 1 1 -6  -18 23 o 81.27796 3.619440  1355.753       106.8182 1770.234       
224.9876 1235.137       121.3695 87.37827 6.133047 75.17766 3.845401 12.20061 
7.238879 
1 1 1 -6  -18 24 o 45.17708 4.673242  444.8855       79.33723 617.8354       
159.3110 387.8470       91.48921 49.36047 7.687544 40.99369 5.315865 8.366776 
9.346483 
1 1 1 -6  -18 25 o 15.03791 4.920235  -35.60735      73.84943 -184.1682      
144.4001 17.01182       85.93842 14.37567 7.047468 15.70014 6.867901 -1.324470 
9.840470 
1 1 1 -6  -17 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -17 16 o 44.58432 3.809590  421.1351       71.30817 421.1351       
71.30817 0.000000       0.000000 44.58432 3.809590 ?        ?        ? ? 
1 1 1 -6  -17 17 o 65.05991 2.726768  891.9153       67.31656 915.0219       
126.4489 882.7767       79.52180 65.48643 4.599225 64.63337 2.930559 0.8530655 
5.453536 
1 1 1 -6  -17 18 o 29.12748 4.826034  171.3069       51.81839 244.6528       
105.6362 148.0654       59.46425 32.57381 7.813156 25.68116 5.667186 6.892649 
9.652067 
1 1 1 -6  -17 19 o 28.79023 4.883168  198.7773       55.99965 149.4332       
104.4220 218.6977       66.34724 25.77006 8.408391 31.81039 4.967924 -6.040329 
9.766335 
1 1 1 -6  -17 20 o 139.0819 3.680584  4217.862       205.0975 4229.551       
345.3120 4211.492       254.9369 138.4305 5.941565 139.7332 4.345643 -1.302704 
7.361169 
1 1 1 -6  -17 21 o 38.68168 4.714893  322.9370       68.44828 395.1057       
129.2466 294.8058       80.69343 40.75690 7.832816 36.60645 5.250511 4.150448 
9.429787 
1 1 1 -6  -17 22 f 42.39283 5.186645  458.1185       75.05524 354.3283       
147.0439 494.6870       87.28156 37.16605 9.409860 47.61961 4.365738 -10.45356 
10.37329 
1 1 1 -6  -17 23 o 16.81234 5.352109  -11.88542      69.59220 -10.00891      
140.2386 -12.49849      80.15831 18.97970 8.504018 14.64498 6.500921 4.334728 
10.70422 
1 1 1 -6  -17 24 o 23.58386 6.083898  135.5657       74.92870 108.3968       
145.4957 145.3721       87.41134 23.06142 9.438079 24.10630 7.679707 -1.044880 
12.16780 
1 1 1 -6  -17 25 o 31.53436 6.191580  288.9506       82.33475 244.4419       
161.0269 304.7060       95.80537 28.17030 10.36156 34.89843 6.780905 -6.728128 
12.38316 
1 1 1 -6  -17 26 o 41.62746 6.194868  436.0928       89.48460 598.4968       
196.2481 393.4633       100.5455 42.90511 10.87556 40.34981 5.935292 2.555298 
12.38974 
1 1 1 -6  -16 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -16 15 o 168.6147 2.342117  6003.512       163.3924 5958.391       
253.0493 6035.776       213.9775 168.0003 3.587699 169.2290 3.011719 -1.228638 
4.684233 
1 1 1 -6  -16 16 o 43.15630 2.880607  416.6528       45.13429 349.1718       
86.02831 442.2814       53.01675 40.50529 5.058837 45.80730 2.756764 -5.302006 
5.761213 
1 1 1 -6  -16 17 o 73.25630 2.169232  1116.855       60.73575 1173.263       
113.4409 1094.189       71.91054 74.44598 3.629523 72.06663 2.376728 2.379349 
4.338464 
1 1 1 -6  -16 18 o 113.9875 2.568828  2642.871       115.2311 2450.815       
138.2648 3079.621       208.5041 107.6561 3.059103 120.3189 4.127638 -12.66285 
5.137656 
1 1 1 -6  -16 19 o 72.91817 3.031677  1165.215       88.73912 1026.607       
143.5568 1250.930       112.8906 69.10366 4.948160 76.73267 3.504278 -7.629005 
6.063353 
1 1 1 -6  -16 20 o 47.74878 4.106637  512.0592       72.86705 466.4901       
136.3988 530.2580       86.19799 45.75283 7.100906 49.74472 4.127349 -3.991898 
8.213275 
1 1 1 -6  -16 21 o 47.10171 4.065876  488.1180       73.40075 489.5366       
134.0914 487.5111       87.70811 46.69149 6.840442 47.51194 4.397017 
-0.8204498     8.131752 
1 1 1 -6  -16 22 o 22.06250 5.821435  100.2786       70.23210 55.45655       
132.9751 117.6189       82.70920 21.40915 8.919445 22.71585 7.483311 -1.306700 
11.64287 
1 1 1 -6  -16 23 o 38.79047 5.165942  316.8379       77.88765 485.3754       
144.0087 247.1522       92.60030 45.43235 7.549961 32.14861 7.053079 13.28374 
10.33188 
1 1 1 -6  -16 24 o 27.78250 6.251864  174.2355       75.47796 273.2192       
144.1445 136.8432       88.59459 31.82174 9.816234 23.74326 7.744984 8.078489 
12.50373 
1 1 1 -6  -16 25 o 47.64074 5.103038  485.2570       88.87540 698.6815       
187.4785 423.3912       100.9380 52.32049 8.534947 42.96099 5.596310 9.359501 
10.20608 
1 1 1 -6  -16 26 o 18.57980 8.490971  -4.094740      149.3050 0.000000       
0.000000 -4.094740      149.3050 ?        ?        18.57980 8.490971 ? ? 
1 1 1 -6  -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -15 13 o 161.5935 2.186749  5482.885       147.6979 5365.977       
198.7772 5626.988       220.6898 159.6917 2.964867 163.4952 3.215128 -3.803482 
4.373498 
1 1 1 -6  -15 14 o 75.46460 2.245943  1205.933       64.24554 1182.758       
119.6891 1215.313       76.14481 74.90392 3.806021 76.02528 2.385631 -1.121361 
4.491885 
1 1 1 -6  -15 15 o 127.9535 2.714455  3452.671       133.2145 3459.698       
244.5277 3449.706       158.8578 127.9110 4.553458 127.9960 2.956196 
-0.8499146E-01 5.428911 
1 1 1 -6  -15 16 o 64.08262 2.275896  903.7574       56.34150 764.0634       
97.34406 974.1279       69.09010 60.13236 3.855869 68.03288 2.418900 -7.900524 
4.551791 
1 1 1 -6  -15 17 o 47.72673 2.561972  477.4500       48.74781 494.7625       
83.86556 468.6160       59.90757 48.32325 4.133792 47.13021 3.027635 1.193039 
5.123944 
1 1 1 -6  -15 18 o 119.3506 2.091378  2997.376       104.6207 2816.814       
143.2160 3203.991       153.2000 115.5102 2.953198 123.1911 2.962106 -7.680939 
4.182756 
1 1 1 -6  -15 19 o 121.0690 2.486073  3163.381       123.5811 2781.306       
188.5638 3451.052       163.6188 114.3977 3.926104 127.7402 3.050891 -13.34245 
4.972146 
1 1 1 -6  -15 20 o 57.98868 3.614384  729.3054       81.49149 711.3549       
144.5916 737.6614       98.65207 57.17155 6.023988 58.80580 3.995831 -1.634251 
7.228768 
1 1 1 -6  -15 21 o 36.40356 5.326176  327.6183       70.28322 249.6587       
137.3768 355.2584       81.79903 32.25258 9.507436 40.55454 4.804296 -8.301956 
10.65235 
1 1 1 -6  -15 22 o 76.93814 3.559655  1307.759       107.0352 1241.366       
186.4087 1340.415       130.7352 74.90491 5.927572 78.97136 3.943155 -4.066444 
7.119311 
1 1 1 -6  -15 23 o 16.26350 5.255392  -29.15646      71.03995 -100.0073      
147.8795 -7.900465      80.99832 17.41114 8.148222 15.11587 6.639506 2.295267 
10.51078 
1 1 1 -6  -15 24 o 74.23029 4.360807  1274.217       125.0816 1185.527       
219.5366 1316.845       152.2015 71.08308 7.356340 77.37748 4.685171 -6.294395 
8.721615 
1 1 1 -6  -15 25 f 70.48067 8.682604  1244.213       256.9206 0.000000       
0.000000 1244.213       256.9206 ?        ?        70.48067 8.682604 ? ? 
1 1 1 -6  -15 26 o 59.55927 5.008893  739.6788       107.6283 1133.587       
234.1326 634.1378       121.1922 66.56984 8.377327 52.54870 5.493307 14.02114 
10.01779 
1 1 1 -6  -15 27 o 26.30227 5.765680  219.6701       93.60094 -138.5069      
206.3167 312.4966       105.0319 18.15024 8.783724 34.45431 7.471176 -16.30407 
11.53136 
1 1 1 -6  -14 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 12 o 77.50691 1.779118  1258.275       56.49575 1285.555       
90.82960 1241.061       72.15115 78.17549 2.767438 76.83833 2.236590 1.337166 
3.558237 
1 1 1 -6  -14 13 o 96.80771 2.300277  1976.983       84.65911 1963.394       
157.4480 1982.510       100.4094 96.51400 3.885687 97.10143 2.463032 
-0.5874252     4.600554 
1 1 1 -6  -14 14 o 136.4292 2.630918  3742.314       114.2020 4202.383       
281.4580 3651.644       124.9498 141.0572 4.752688 131.8011 2.258070 9.256073 
5.261837 
1 1 1 -6  -14 15 o 44.09632 2.971004  409.2431       55.00276 0.000000       
0.000000 409.2431       55.00276 ?        ?        44.09632 2.971004 ? ? 
1 1 1 -6  -14 16 o 75.68497 2.128045  1243.399       64.87976 1055.992       
103.0201 1366.587       83.52448 70.77304 3.467171 80.59690 2.468405 -9.823860 
4.256090 
1 1 1 -6  -14 17 o 93.80975 2.325065  1836.355       90.97674 1579.816       
122.2083 2155.262       136.2560 86.52928 3.364021 101.0902 3.210463 -14.56094 
4.650130 
1 1 1 -6  -14 18 o 45.46624 2.732172  423.9239       50.25441 487.7907       
85.40825 390.1025       62.15233 47.96550 4.241231 42.96698 3.445432 4.998516 
5.464343 
1 1 1 -6  -14 19 o 85.46672 2.226654  1545.658       78.39845 1532.496       
123.0832 1554.644       101.6972 85.10456 3.444824 85.82887 2.822257 
-0.7243118     4.453307 
1 1 1 -6  -14 20 o 42.99963 3.303772  399.4949       53.88230 384.8734       
99.56268 405.5511       64.07690 42.26704 5.610684 43.73223 3.489964 -1.465195 
6.607543 
1 1 1 -6  -14 21 o 115.7525 3.837465  2895.069       163.8122 2909.152       
319.2834 2890.038       190.8452 115.1024 6.607132 116.4025 3.905169 -1.300140 
7.674929 
1 1 1 -6  -14 22 o 72.00327 3.453030  1128.558       97.31099 1103.380       
170.5895 1140.703       118.4784 70.99876 5.722986 73.00776 3.865370 -2.008995 
6.906059 
1 1 1 -6  -14 23 o 22.38031 6.216400  89.28292       70.59466 49.78970       
179.3944 96.51923       76.79028 23.65893 10.12828 21.10169 7.210577 2.557241 
12.43280 
1 1 1 -6  -14 24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -14 25 o 79.88330 4.807424  1370.268       118.9740 1651.797       
301.2079 1318.225       129.5046 81.88996 8.761061 77.87664 3.960948 4.013321 
9.614848 
1 1 1 -6  -14 26 o 44.03520 6.179230  476.0576       89.63210 527.8116       
203.0605 463.5338       99.89005 42.71141 11.19005 45.35900 5.245415 -2.647591 
12.35846 
1 1 1 -6  -14 27 o 41.07762 6.923410  407.1006       96.90118 627.8777       
227.2233 358.0231       107.1314 44.17546 11.95902 37.97977 6.979711 6.195690 
13.84682 
1 1 1 -6  -14 28 o 23.42648 7.080482  80.69418       89.78205 350.2744       
236.5424 35.32001       97.04414 29.70800 12.07545 17.14495 7.397048 12.56305 
14.16096 
1 1 1 -6  -13 1  o 85.98277 1.668130  1449.166       48.65001 1383.413       
54.02312 1731.264       111.8976 81.17427 1.585194 90.79128 2.935607 -9.617004 
3.336259 
1 1 1 -6  -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -13 10 o 119.8437 1.703623  3019.137       85.39781 3031.880       
116.0057 3004.061       126.1758 120.1252 2.300203 119.5622 2.513640 0.5629272 
3.407245 
1 1 1 -6  -13 11 o 86.60309 1.560358  1576.116       56.53976 1577.601       
76.87219 1574.367       83.45094 86.65113 2.113081 86.55505 2.296465 
0.9608459E-01  3.120715 
1 1 1 -6  -13 12 o 33.59135 2.334607  244.6033       31.88382 182.4467       
46.50370 299.7396       43.79884 29.43035 3.763684 37.75235 2.763374 -8.322002 
4.669213 
1 1 1 -6  -13 13 o 90.15602 1.759210  1706.883       66.53882 1623.366       
92.35194 1797.038       95.95144 87.86474 2.503528 92.44730 2.472170 -4.582558 
3.518420 
1 1 1 -6  -13 14 o 155.8373 2.090612  5047.554       126.0680 4952.039       
150.6654 5270.568       230.2203 153.4779 2.338238 158.1968 3.466307 -4.718933 
4.181225 
1 1 1 -6  -13 15 o 48.78904 2.564934  520.6390       49.53040 438.3636       
81.55103 568.7277       62.34704 45.58496 4.261170 51.99311 2.856216 -6.408150 
5.129868 
1 1 1 -6  -13 16 o 115.1353 2.373869  2837.279       111.7810 2569.768       
174.5140 3023.387       145.5604 110.4090 3.764843 119.8616 2.892573 -9.452583 
4.747738 
1 1 1 -6  -13 17 o 19.04174 4.635120  66.52000       42.59684 86.09319       
75.30766 57.31139       51.65421 20.89098 7.140629 17.19250 5.911750 3.698488 
9.270241 
1 1 1 -6  -13 18 o 114.3452 2.282718  2757.124       109.5639 2706.207       
153.1573 2810.491       156.8004 113.2656 3.220777 115.4248 3.235707 -2.159111 
4.565436 
1 1 1 -6  -13 19 o 72.27696 2.387840  1098.307       67.94901 1119.490       
119.4121 1088.163       82.63116 72.70970 3.911803 71.84423 2.739511 0.8654709 
4.775680 
1 1 1 -6  -13 20 o 83.78210 2.411381  1488.009       84.32103 1460.688       
125.6150 1510.416       113.7603 83.04171 3.603017 84.52249 3.205822 -1.480782 
4.822761 
1 1 1 -6  -13 21 o 124.4401 2.598594  3284.001       134.7099 3248.222       
179.2577 3330.423       204.1841 123.7490 3.450303 125.1312 3.886667 -1.382217 
5.197189 
1 1 1 -6  -13 22 o 46.61010 3.559267  475.8788       68.44276 417.4158       
102.4798 522.9532       91.95815 43.84439 5.567308 49.37582 4.436056 -5.531429 
7.118533 
1 1 1 -6  -13 23 o 27.37512 10.93552  134.6966       189.4238 134.6966       
189.4238 0.000000       0.000000 27.37512 10.93552 ?        ?        ? ? 
1 1 1 -6  -13 24 o 60.73859 4.762510  847.6686       91.85176 804.9780       
213.5141 857.3633       101.7480 58.33958 8.717345 63.13760 3.838475 -4.798019 
9.525020 
1 1 1 -6  -13 25 o 29.21566 6.845765  189.1329       79.81268 258.8807       
197.3725 175.4982       87.26581 31.45369 11.48097 26.97764 7.459581 4.476055 
13.69153 
1 1 1 -6  -13 26 o 50.16319 6.494113  671.3221       94.96378 578.8984       
234.3581 689.4787       103.8736 44.29141 12.21468 56.03497 4.415369 -11.74356 
12.98823 
1 1 1 -6  -13 27 o 17.32302 5.860008  -73.29292      82.43328 -20.33034      
210.9528 -82.83770      89.55370 21.67394 9.983047 12.97210 6.139835 8.701842 
11.72002 
1 1 1 -6  -13 28 o 26.73146 6.423672  215.5579       87.07268 64.40848       
226.8140 241.6840       94.29809 22.97144 10.48439 30.49148 7.425083 -7.520041 
12.84734 
1 1 1 -6  -12 1  o 271.9742 1.548285  15519.44       176.5160 15745.75       
257.6994 15319.40       242.2765 273.8388 2.241503 270.1096 2.136448 3.729279 
3.096570 
1 1 1 -6  -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -12 8  o 155.1650 2.843696  5058.070       185.2490 0.000000       
0.000000 5058.070       185.2490 ?        ?        155.1650 2.843696 ? ? 
1 1 1 -6  -12 9  o 83.89136 1.560956  1467.340       54.73896 1297.371       
74.15816 1670.805       81.13687 78.59214 2.247506 89.19058 2.166808 -10.59844 
3.121913 
1 1 1 -6  -12 10 o 171.8738 1.947248  6117.049       130.5835 5968.337       
156.9232 6451.907       235.4756 168.5589 2.217464 175.1886 3.201556 -6.629730 
3.894497 
1 1 1 -6  -12 11 o 136.9635 1.711187  3942.623       98.21523 3928.206       
143.1805 3955.435       134.9769 136.7227 2.494390 137.2044 2.343216 
-0.4816437     3.422374 
1 1 1 -6  -12 12 o 116.1611 1.810068  2795.413       85.72429 2673.613       
107.8930 3003.943       141.1739 112.7954 2.278364 119.5269 2.813261 -6.731468 
3.620136 
1 1 1 -6  -12 13 o 132.2080 1.881541  3680.107       104.2936 3487.219       
148.3190 3868.758       146.6815 128.7698 2.743493 135.6462 2.575661 -6.876419 
3.763082 
1 1 1 -6  -12 14 o 159.4215 2.021686  5291.081       131.2101 5126.940       
165.1754 5571.794       216.0066 156.1453 2.519634 162.6978 3.162326 -6.552429 
4.043372 
1 1 1 -6  -12 15 o 95.54622 1.861434  1932.212       74.06478 2039.554       
100.3760 1803.919       109.7355 98.49120 2.427469 92.60123 2.822613 5.889961 
3.722868 
1 1 1 -6  -12 16 o 12.96048 3.758570  5.404900       34.24199 -23.45884      
49.29903 32.30980       47.59681 11.20809 5.031472 14.71287 5.584952 -3.504781 
7.517140 
1 1 1 -6  -12 17 o 159.6137 2.412200  5313.572       152.9870 5204.870       
187.2237 5531.999       265.3965 157.2695 2.835549 161.9579 3.903139 -4.688400 
4.824399 
1 1 1 -6  -12 18 o 89.82131 2.174247  1682.245       81.17926 1583.374       
106.3326 1820.388       125.6895 86.70622 2.921039 92.93640 3.221323 -6.230179 
4.348494 
1 1 1 -6  -12 19 o 136.5209 2.492759  3949.330       142.2452 4105.048       
194.7094 3771.100       208.3086 139.4621 3.325460 133.5797 3.714392 5.882416 
4.985518 
1 1 1 -6  -12 20 o 74.59858 2.099216  1174.695       65.67226 1245.803       
93.32815 1104.953       92.42763 76.84531 2.892786 72.35185 3.042799 4.493454 
4.198432 
1 1 1 -6  -12 21 o 89.03836 2.430562  1674.609       90.53519 1724.315       
134.6070 1633.548       122.3422 90.21561 3.553915 87.86110 3.316658 2.354515 
4.861124 
1 1 1 -6  -12 22 o 111.5918 3.885886  2698.639       161.6568 2661.097       
308.5046 2712.849       189.8010 110.3409 6.659567 112.8428 4.006322 -2.501808 
7.771773 
1 1 1 -6  -12 23 o 64.82048 4.082811  899.3013       111.1093 0.000000       
0.000000 899.3013       111.1093 ?        ?        64.82048 4.082811 ? ? 
1 1 1 -6  -12 24 o 26.58672 6.641452  148.7068       77.39497 154.9334       
187.5273 147.4285       84.96902 27.96189 10.97044 25.21156 7.488986 2.750334 
13.28290 
1 1 1 -6  -12 25 o 66.34654 4.360498  849.1722       97.02975 1237.244       
233.5669 768.2303       106.6698 73.14308 7.606050 59.55000 4.266590 13.59308 
8.720997 
1 1 1 -6  -12 26 o 51.65443 5.889503  633.4273       96.09613 665.1215       
219.4462 625.9078       106.8896 49.96456 10.76874 53.34429 4.772748 -3.379730 
11.77901 
1 1 1 -6  -12 27 o 27.76541 6.631829  207.3094       86.38601 84.38299       
223.5111 228.8967       93.66456 25.05244 11.01652 30.47838 7.386539 -5.425936 
13.26366 
1 1 1 -6  -12 28 o 72.12603 6.449363  1389.256       122.3189 1253.521       
318.5870 1412.725       132.4719 64.05991 12.28394 80.19215 3.934712 -16.13225 
12.89873 
1 1 1 -6  -12 29 o 19.45546 6.371731  15.78310       89.29762 64.06944       
239.6232 7.995927       96.22915 22.80656 10.55603 16.10435 7.139050 6.702215 
12.74346 
1 1 1 -6  -11 1  o 71.23299 1.817030  1055.020       53.94582 983.6953       
71.27890 1150.650       82.53458 68.44357 2.480558 74.02241 2.655791 -5.578835 
3.634060 
1 1 1 -6  -11 2  o 291.2155 1.660975  17828.04       201.8880 17616.40       
301.3511 18000.37       271.9349 289.6407 2.478188 292.7904 2.212224 -3.149719 
3.321950 
1 1 1 -6  -11 3  o 304.7810 2.985946  18999.71       197.4690 20134.89       
746.4930 18914.30       204.7631 309.4126 5.746572 300.1495 1.624932 9.263062 
5.971891 
1 1 1 -6  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -11 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -11 6  o 179.3699 2.926842  6612.296       151.6850 6969.387       
414.6542 6557.129       162.9814 182.0295 5.425820 176.7102 2.196835 5.319260 
5.853683 
1 1 1 -6  -11 7  o 189.1822 2.647760  7554.469       205.6187 7356.561       
324.8327 7686.787       265.6048 187.0838 4.135658 191.2806 3.307395 -4.196793 
5.295519 
1 1 1 -6  -11 8  o 412.6364 4.233145  35650.25       659.5811 35394.41       
776.8719 36310.87       1248.361 410.2693 4.510258 415.0034 7.164889 -4.734070 
8.466290 
1 1 1 -6  -11 9  o 165.2311 2.169487  5555.635       127.0984 5406.715       
144.1462 6075.877       269.4193 160.4517 2.139833 170.0105 3.774627 -9.558731 
4.338974 
1 1 1 -6  -11 10 o 183.0241 1.929880  7033.861       147.8674 7090.511       
217.9131 6985.517       201.3051 183.7010 2.825485 182.3472 2.629521 1.353760 
3.859760 
1 1 1 -6  -11 11 o 85.35298 1.609809  1527.949       57.63281 1443.117       
79.83858 1620.253       83.28053 82.88271 2.294404 87.82325 2.258682 -4.940536 
3.219617 
1 1 1 -6  -11 12 o 64.90834 1.687317  887.4684       45.81313 855.7521       
67.00967 915.3039       62.77641 63.81359 2.501182 66.00309 2.265444 -2.189499 
3.374633 
1 1 1 -6  -11 13 o 175.7315 2.375159  6521.495       173.8325 6700.867       
233.4514 6298.274       260.4275 178.4826 3.115457 172.9803 3.586008 5.502258 
4.750318 
1 1 1 -6  -11 14 o 62.91363 1.776690  831.7446       46.89516 820.9390       
64.93449 843.5240       67.79768 62.48824 2.475131 63.33901 2.549556 
-0.8507729     3.553380 
1 1 1 -6  -11 15 o 208.8067 2.657793  9203.904       232.4300 8917.304       
337.4753 9462.536       320.5860 205.6762 3.908221 211.9371 3.602952 -6.260986 
5.315586 
1 1 1 -6  -11 16 o 99.47024 1.832524  2077.338       76.46313 2168.968       
110.9226 1994.372       105.5479 101.5562 2.601566 97.38430 2.581556 4.171875 
3.665048 
1 1 1 -6  -11 17 o 118.8090 2.096101  2945.155       101.4747 2869.194       
128.0655 3073.303       166.3393 116.8004 2.611614 120.8176 3.279335 -4.017212 
4.192203 
1 1 1 -6  -11 18 o 65.81888 2.104415  915.1088       57.93914 838.8833       
82.84637 988.0817       81.05950 63.11723 3.126415 68.52053 2.817762 -5.403305 
4.208830 
1 1 1 -6  -11 19 o 92.87527 2.083571  1817.487       81.22879 1787.994       
115.2728 1846.576       114.4810 92.12292 2.980440 93.62762 2.912396 -1.504700 
4.167141 
1 1 1 -6  -11 20 o 22.45388 4.422731  110.5566       44.71304 72.64362       
63.86683 147.0028       62.61921 19.17616 6.575530 25.73161 5.916469 -6.555450 
8.845462 
1 1 1 -6  -11 21 o 104.9686 2.435170  2329.417       107.2318 2204.115       
150.1850 2459.726       153.1561 102.0761 3.504479 107.8610 3.382135 -5.784882 
4.870340 
1 1 1 -6  -11 22 o 110.1596 6.503114  2631.512       300.7619 0.000000       
0.000000 2631.512       300.7619 ?        ?        110.1596 6.503114 ? ? 
1 1 1 -6  -11 23 o 16.63657 4.724686  32.06657       50.09259 30.03974       
67.02016 34.63204       75.40141 16.14408 6.481695 17.12906 6.875920 
-0.9849701     9.449372 
1 1 1 -6  -11 24 o 30.40756 4.266823  209.0358       52.52948 201.8400       
73.23909 216.6591       75.38310 29.84784 6.055545 30.96728 6.012777 -1.119440 
8.533647 
1 1 1 -6  -11 25 o 23.45973 6.186853  116.2237       76.26392 -18.40935      
188.4103 142.6049       83.40179 22.15188 9.892867 24.76757 7.432349 -2.615685 
12.37371 
1 1 1 -6  -11 26 o 36.93533 6.417214  271.7206       82.45332 492.5305       
191.7038 221.6005       91.33292 43.37936 10.60135 30.49129 7.234223 12.88807 
12.83443 
1 1 1 -6  -11 27 o 45.78403 5.852554  428.5869       91.40762 687.4658       
208.6385 367.0931       101.6861 51.33768 10.03812 40.23038 6.020447 11.10730 
11.70511 
1 1 1 -6  -11 28 o 36.20939 6.944790  350.4242       89.22419 345.6019       
242.3029 351.1807       95.96754 33.23315 12.60525 39.18563 5.833357 -5.952477 
13.88958 
1 1 1 -6  -11 29 o 18.33682 5.942903  1.063574       89.93268 -143.7102      
217.0846 31.05793       98.81064 19.15504 9.213610 17.51860 7.508780 1.636440 
11.88581 
1 1 1 -6  -11 30 o 21.51639 6.269727  113.4715       89.12838 -133.2027      
256.8511 147.2401       95.03340 19.80511 9.643047 23.22766 8.015582 -3.422550 
12.53945 
1 1 1 -6  -10 1  o 333.1056 2.035549  23308.88       284.4646 23128.04       
409.2899 23477.87       395.6445 331.8523 2.937698 334.3589 2.818470 -2.506531 
4.071098 
1 1 1 -6  -10 2  o 238.8633 1.414819  11990.48       141.4718 11829.66       
207.3832 12130.46       193.4820 237.3617 2.081057 240.3648 1.917303 -3.003098 
2.829638 
1 1 1 -6  -10 3  o 144.8653 1.274133  4328.771       56.32672 4519.430       
143.8475 4294.243       61.21489 146.7074 2.335455 143.0232 1.019464 3.684219 
2.548265 
1 1 1 -6  -10 4  o 417.1033 2.215940  36367.91       359.2854 36997.76       
646.8404 36086.90       432.0660 419.6593 3.671313 414.5474 2.482544 5.111847 
4.431880 
1 1 1 -6  -10 5  o 147.9361 2.289592  4561.390       131.9339 4691.815       
237.2696 4503.014       158.7368 149.4384 3.781820 146.4339 2.582005 3.004578 
4.579183 
1 1 1 -6  -10 6  o 670.5724 5.745161  94587.27       1617.435 0.000000       
0.000000 94587.27       1617.435 ?        ?        670.5724 5.745161 ? ? 
1 1 1 -6  -10 7  o 97.06367 1.707672  1975.696       69.30247 1948.875       
93.55569 2008.309       103.1643 96.33629 2.313137 97.79105 2.512763 -1.454765 
3.415345 
1 1 1 -6  -10 8  o 145.9655 1.980219  4404.428       114.3341 4271.116       
138.9552 4683.873       201.1816 142.6131 2.320794 149.3180 3.209203 -6.704910 
3.960438 
1 1 1 -6  -10 9  o 195.7561 2.102112  8058.633       172.2316 7936.279       
252.6562 8164.847       235.4025 194.3603 3.096303 197.1518 2.844012 -2.791473 
4.204224 
1 1 1 -6  -10 10 o 242.6731 2.508156  12304.07       224.2801 12531.03       
441.4309 12225.09       260.3933 244.1008 4.307395 241.2454 2.570940 2.855347 
5.016311 
1 1 1 -6  -10 11 o 95.10487 1.801541  1899.393       71.90243 1978.776       
102.7214 1823.134       100.6801 97.05315 2.520997 93.15659 2.574253 3.896561 
3.603083 
1 1 1 -6  -10 12 o 143.2155 2.138646  4248.779       119.3536 4478.410       
215.6928 4147.437       143.2904 145.9303 3.520556 140.5008 2.429179 5.429520 
4.277291 
1 1 1 -6  -10 13 f 60.42528 1.883844  768.6907       47.70769 724.7150       
67.98162 811.3644       66.96752 58.71690 2.757715 62.13366 2.567192 -3.416756 
3.767688 
1 1 1 -6  -10 14 o 118.4416 2.015662  2929.009       95.11749 2884.484       
116.8698 3016.368       163.7024 117.1498 2.376193 119.7333 3.256575 -2.583458 
4.031324 
1 1 1 -6  -10 15 o 144.2189 2.193757  4290.923       118.4822 4567.302       
229.7030 4190.736       138.2997 147.2436 3.715793 141.1943 2.333057 6.049271 
4.387513 
1 1 1 -6  -10 16 o 103.1551 1.970344  2219.965       84.86823 2069.723       
113.0569 2413.922       128.4560 99.19538 2.714731 107.1149 2.856442 -7.919510 
3.940689 
1 1 1 -6  -10 17 o 143.5700 2.080191  4362.675       124.4985 4069.156       
183.4562 4613.250       169.5052 139.0435 3.142698 148.0965 2.726211 -9.052948 
4.160382 
1 1 1 -6  -10 18 f 66.57640 2.029917  933.6732       56.56570 1025.926       
80.51345 843.7549       79.48836 69.83414 2.746134 63.31865 2.990150 6.515491 
4.059833 
1 1 1 -6  -10 19 o 78.78625 1.946157  1308.240       64.25587 1269.464       
92.87413 1343.843       88.99312 77.65759 2.848603 79.91492 2.652465 -2.257324 
3.892314 
1 1 1 -6  -10 20 o 65.75310 2.322247  911.2212       63.91035 903.6058       
86.87782 920.2028       94.34955 65.46535 3.160956 66.04084 3.402893 
-0.5754852     4.644494 
1 1 1 -6  -10 21 o 118.4439 6.016891  3003.631       299.2014 3003.631       
299.2014 0.000000       0.000000 118.4439 6.016891 ?        ?        ? ? 
1 1 1 -6  -10 22 o 21.13802 4.891514  93.74992       50.59981 110.4658       
68.52897 73.71217       75.02996 22.45685 6.736776 19.81919 7.093905 2.637655 
9.783029 
1 1 1 -6  -10 23 f 67.07434 2.426581  946.3803       66.74255 920.3132       
85.13449 987.9504       107.5099 65.95036 3.074747 68.19833 3.754877 -2.247978 
4.853161 
1 1 1 -6  -10 24 f 51.23804 2.819443  564.4309       59.95164 662.4574       
84.89383 466.9079       84.67545 55.78216 3.624949 46.69392 4.319348 9.088238 
5.638885 
1 1 1 -6  -10 25 o 96.02232 2.367005  1956.078       93.93690 1916.664       
121.9945 2013.484       147.2291 94.95670 3.060099 97.08794 3.612014 -2.131233 
4.734010 
1 1 1 -6  -10 26 o 38.04379 4.471040  335.8620       67.59963 420.9304       
94.21916 245.6161       97.04404 43.84044 5.119003 32.24713 7.331890 11.59331 
8.942080 
1 1 1 -6  -10 27 o 51.40598 4.041683  593.5551       84.94777 576.8323       
134.9374 604.5335       109.3317 50.42066 6.374483 52.39131 4.970592 -1.970650 
8.083366 
1 1 1 -6  -10 28 o 26.11933 7.004693  140.9405       83.63728 213.0678       
213.6452 127.8860       90.89154 29.03049 11.60702 23.20817 7.844741 5.822325 
14.00939 
1 1 1 -6  -10 29 f 70.79687 5.350280  1294.565       122.8038 1061.587       
260.1347 1361.375       139.3033 63.01934 9.832085 78.57439 4.222808 -15.55506 
10.70056 
1 1 1 -6  -10 30 o 62.24842 6.689164  1011.109       113.9322 1135.619       
299.7548 990.0841       123.1763 58.18422 12.62555 66.31262 4.424377 -8.128399 
13.37833 
1 1 1 -6  -9  1  o 277.1251 2.182320  16060.51       231.7300 16297.70       
427.7063 15961.96       275.7019 278.5392 3.657467 275.7109 2.381809 2.828278 
4.364639 
1 1 1 -6  -9  2  o 473.5920 3.007634  47102.15       594.5750 47361.80       
890.9929 46893.70       798.3298 474.7443 4.470288 472.4397 4.024918 2.304565 
6.015267 
1 1 1 -6  -9  3  o 388.7461 2.435921  31726.05       354.5932 31782.85       
677.7762 31704.66       416.0782 388.9295 4.150845 388.5627 2.550556 0.3667908 
4.871843 
1 1 1 -6  -9  4  o 301.8660 1.831848  19182.56       227.2822 18901.09       
358.8611 19371.10       293.6952 300.0007 2.849214 303.7312 2.303183 -3.730530 
3.663697 
1 1 1 -6  -9  5  o 350.1152 3.938607  25721.95       328.9774 25843.97       
1105.995 25710.11       344.5737 350.3176 7.519902 349.9129 2.345542 0.4046936 
7.877214 
1 1 1 -6  -9  6  o 236.1304 2.786026  11624.18       172.1142 11832.04       
523.5723 11599.00       182.2425 237.2207 5.257087 235.0402 1.846837 2.180420 
5.572053 
1 1 1 -6  -9  7  o 198.0700 2.592692  8239.155       213.8600 8267.132       
323.9185 8217.535       284.7421 198.3576 3.889628 197.7824 3.429140 0.5751801 
5.185384 
1 1 1 -6  -9  8  o 338.7161 7.978951  24186.18       1134.646 24186.18       
1134.646 0.000000       0.000000 338.7161 7.978951 ?        ?        ? ? 
1 1 1 -6  -9  9  o 318.1614 3.223849  21269.07       427.4424 21174.55       
570.2408 21390.28       645.7699 317.3844 4.279507 318.9383 4.822721 -1.553894 
6.447699 
1 1 1 -6  -9  10 o 122.8269 1.671484  3136.696       85.28891 2963.952       
111.5528 3379.756       132.3229 118.8003 2.236578 126.8536 2.484583 -8.053284 
3.342968 
1 1 1 -6  -9  11 o 225.4675 2.757877  10651.34       258.4483 10438.60       
340.6087 10940.05       396.7930 222.8453 3.640603 228.0896 4.143616 -5.244339 
5.515754 
1 1 1 -6  -9  12 o 194.5038 2.843209  7917.285       227.9189 7753.623       
293.9946 8163.811       360.8273 192.0315 3.646598 196.9760 4.363219 -4.944519 
5.686419 
1 1 1 -6  -9  13 o 74.45340 1.902725  1165.747       59.34716 1151.593       
86.54173 1178.312       81.54048 74.02357 2.784688 74.88323 2.593640 
-0.8596573     3.805451 
1 1 1 -6  -9  14 o 230.1527 3.080606  11296.59       281.4934 10725.87       
477.8262 11599.94       348.3608 225.5063 5.046988 234.7990 3.533899 -9.292679 
6.161212 
1 1 1 -6  -9  15 o 60.97013 1.983117  784.5150       50.52388 699.8299       
71.67213 868.1655       71.23300 57.68166 2.959604 64.25861 2.640408 -6.576942 
3.966234 
1 1 1 -6  -9  16 o 73.52261 1.963349  1136.636       60.40218 1142.006       
89.22638 1132.094       82.06538 73.67690 2.884583 73.36832 2.664234 0.3085709 
3.926699 
1 1 1 -6  -9  17 o 159.7013 2.384725  5313.627       144.3477 5502.891       
272.6123 5239.890       170.1589 161.5523 4.019327 157.8502 2.567619 3.702072 
4.769450 
1 1 1 -6  -9  18 o 174.2125 2.506315  6373.419       159.4144 6353.701       
184.3601 6431.850       317.3655 173.8255 2.526239 174.5995 4.329501 
-0.7739563     5.012630 
1 1 1 -6  -9  19 o 76.01505 1.978468  1215.535       63.01413 1219.599       
92.14472 1211.966       86.36654 76.12892 2.882982 75.90116 2.710305 0.2277603 
3.956935 
1 1 1 -6  -9  20 o 83.47832 2.439439  1466.917       85.40635 1378.468       
118.3437 1563.053       123.3792 80.85263 3.486359 86.10400 3.413028 -5.251373 
4.878879 
1 1 1 -6  -9  21 o 100.7224 4.171083  2147.326       176.3819 0.000000       
0.000000 2147.326       176.3819 ?        ?        100.7224 4.171083 ? ? 
1 1 1 -6  -9  22 o 107.5098 2.603568  2445.426       117.5102 2462.339       
167.1705 2428.906       165.2157 107.8751 3.691132 107.1444 3.672847 0.7306519 
5.207135 
1 1 1 -6  -9  23 o 121.7328 2.835318  3146.562       141.5931 3145.018       
181.9077 3148.935       225.5405 121.8446 3.556032 121.6211 4.417097 0.2235794 
5.670635 
1 1 1 -6  -9  24 o 48.40137 3.070775  484.9464       60.30708 444.4267       
74.87795 559.7615       101.7455 45.69197 3.903328 51.11076 4.741590 -5.418785 
6.141551 
1 1 1 -6  -9  25 o 95.96027 2.560614  1919.953       99.71305 1804.782       
124.2792 2128.055       167.0573 92.16508 3.211834 99.75545 3.988871 -7.590370 
5.121227 
1 1 1 -6  -9  26 o 16.12432 4.720726  22.00019       52.55299 40.82933       
68.49586 -4.946054      81.94041 16.78934 6.616861 15.45930 6.734846 1.330046 
9.441451 
1 1 1 -6  -9  27 o 62.31756 2.747498  821.0538       71.14729 724.4242       
92.91553 958.0137       110.6190 57.99926 3.815812 66.63586 3.954057 -8.636604 
5.494997 
1 1 1 -6  -9  28 o 26.38362 5.264350  161.8095       72.30649 23.36896       
105.3597 285.0628       99.41282 18.21179 7.778015 34.55544 7.096197 -16.34365 
10.52870 
1 1 1 -6  -9  29 o 30.67946 5.777142  238.8578       74.80771 238.1990       
119.1542 239.2864       96.10986 30.24927 8.834585 31.10965 7.446582 
-0.8603821     11.55428 
1 1 1 -6  -9  30 o 29.94424 5.896010  227.8207       81.48348 351.9525       
122.7961 130.1610       108.9182 36.83598 8.156726 23.05250 8.515842 13.78348 
11.79202 
1 1 1 -6  -9  31 o 28.48546 7.429267  205.9924       95.09282 422.7776       
226.1129 159.4120       104.8124 32.99390 12.25352 23.97702 8.404007 9.016880 
14.85853 
1 1 1 -6  -8  1  o 57.07420 1.988791  680.5753       47.51773 616.6613       
64.78529 754.9943       69.90703 54.18855 2.847672 59.95985 2.777035 -5.771297 
3.977582 
1 1 1 -6  -8  2  o 293.4522 2.545879  17862.52       272.5670 18547.61       
547.2928 17636.55       314.3210 297.0990 4.387727 289.8055 2.583378 7.293488 
5.091757 
1 1 1 -6  -8  3  o 61.05194 1.633875  746.7135       39.31960 886.3517       
71.18883 685.4142       47.16690 64.96815 2.609951 57.13573 1.966304 7.832424 
3.267751 
1 1 1 -6  -8  4  o 256.7942 2.213473  13920.45       197.7126 13723.95       
419.9615 13976.41       224.1012 255.5860 3.913754 258.0023 2.068910 -2.416321 
4.426947 
1 1 1 -6  -8  5  o 103.7980 1.909509  2214.772       66.30733 2342.112       
151.0916 2184.398       73.79308 105.5945 3.408160 102.0014 1.723179 3.593117 
3.819018 
1 1 1 -6  -8  6  o 289.7286 2.140216  17430.47       222.2605 17250.29       
254.2578 18014.25       457.6570 286.6283 2.112888 292.8289 3.722608 -6.200592 
4.280433 
1 1 1 -6  -8  7  o 204.7110 1.942683  8767.767       160.6356 8921.426       
267.5040 8681.108       200.8884 206.0964 3.091583 203.3257 2.353334 2.770691 
3.885366 
1 1 1 -6  -8  8  o 317.7640 3.228503  21229.09       429.9368 21133.94       
626.3478 21313.86       591.2167 317.0777 4.705122 318.4502 4.422077 -1.372467 
6.457006 
1 1 1 -6  -8  9  o 341.6369 5.414713  24549.34       776.6390 0.000000       
0.000000 24549.34       776.6390 ?        ?        341.6369 5.414713 ? ? 
1 1 1 -6  -8  10 o 151.2552 2.178632  4825.763       135.2289 4902.386       
174.5022 4710.573       213.9585 152.7765 2.720605 149.7340 3.403536 3.042526 
4.357264 
1 1 1 -6  -8  11 o 133.7466 2.013458  3750.234       111.0665 3718.131       
143.8790 3797.573       174.7179 133.0485 2.575779 134.4447 3.095385 -1.396240 
4.026915 
1 1 1 -6  -8  12 o 177.0374 2.204537  6579.534       157.3938 6609.550       
262.2430 6562.634       196.7761 177.3274 3.522484 176.7473 2.651800 0.5801544 
4.409074 
1 1 1 -6  -8  13 f 72.57520 1.760491  1108.896       53.51726 1183.199       
75.15948 1032.478       76.22134 75.04890 2.385396 70.10150 2.589825 4.947403 
3.520981 
1 1 1 -6  -8  14 o 153.4915 2.171646  4953.451       137.9192 4950.747       
213.9780 4955.373       180.3894 153.4359 3.321721 153.5470 2.798279 
-0.1110382     4.343293 
1 1 1 -6  -8  15 o 102.8588 1.935968  2235.148       83.10821 1973.947       
118.3366 2489.372       116.7451 96.88993 2.909119 108.8276 2.555174 -11.93768 
3.871936 
1 1 1 -6  -8  16 o 140.7840 2.372497  4064.452       126.4284 3930.953       
148.2618 4420.249       242.0422 136.7338 2.582704 144.8343 3.980529 -8.100555 
4.744994 
1 1 1 -6  -8  17 o 146.7430 2.509178  4547.414       149.4414 4582.041       
188.9906 4489.637       244.1220 147.5557 3.050741 145.9303 3.984581 1.625427 
5.018357 
1 1 1 -6  -8  18 o 176.8404 2.723399  6600.118       190.6686 6563.282       
329.5073 6618.660       233.7835 176.3506 4.450504 177.3302 3.140163 
-0.9796295     5.446798 
1 1 1 -6  -8  19 o 87.42793 2.668745  1613.156       97.66094 1643.661       
133.7640 1578.333       142.9167 88.32914 3.607086 86.52671 3.934176 1.802429 
5.337491 
1 1 1 -6  -8  20 o 105.1904 5.157787  2342.220       227.7816 2342.220       
227.7816 0.000000       0.000000 105.1904 5.157787 ?        ?        ? ? 
1 1 1 -6  -8  21 o 21.59498 5.118706  94.37072       54.72697 97.69974       
77.43986 91.04928       77.35145 21.84681 7.241010 21.34316 7.236876 0.5036545 
10.23741 
1 1 1 -6  -8  22 o 133.4291 3.096967  3774.082       172.6101 3770.352       
232.6993 3778.645       257.3769 133.4219 4.154215 133.4363 4.594270 
-0.1440430E-01 6.193934 
1 1 1 -6  -8  23 o 119.5154 2.899637  3027.471       144.4036 3007.016       
192.5105 3053.787       218.3580 119.1291 3.849088 119.9017 4.337752 
-0.7726593     5.799273 
1 1 1 -6  -8  24 o 66.42413 2.715611  932.7659       75.46352 889.0615       
101.6984 986.3148       112.5710 64.71996 3.742802 68.12830 3.935684 -3.408340 
5.431222 
1 1 1 -6  -8  25 o 18.00166 4.953709  48.03226       53.42411 45.83475       
70.69059 50.95895       81.58029 17.44496 6.757717 18.55836 7.245012 -1.113401 
9.907418 
1 1 1 -6  -8  26 o 118.2523 2.788943  2953.819       129.6745 2880.891       
157.0342 3110.152       229.9176 116.3785 3.213977 120.1261 4.558856 -3.747643 
5.577887 
1 1 1 -6  -8  27 o 97.23077 2.718383  2036.716       108.8392 2060.948       
141.3902 2001.476       170.5113 98.17010 3.430529 96.29144 4.217805 1.878670 
5.436765 
1 1 1 -6  -8  28 o 43.02481 3.548616  392.7982       62.87262 332.5318       
80.01582 490.0527       101.6466 38.91362 4.897735 47.13600 5.136429 -8.222382 
7.097232 
1 1 1 -6  -8  29 f 90.75206 3.342491  1804.769       125.5061 1892.523       
196.5152 1744.318       163.1029 92.26628 5.073110 89.23783 4.353452 3.028450 
6.684983 
1 1 1 -6  -8  30 o 68.85727 3.188263  1006.872       90.22549 1306.741       
146.2067 822.4390       114.6627 76.77065 4.536210 60.94389 4.481392 15.82677 
6.376526 
1 1 1 -6  -8  31 o 42.31882 4.919683  441.8041       84.29701 451.4713       
129.6817 434.7305       110.9305 41.92483 7.651522 42.71280 6.186058 
-0.7879715     9.839365 
1 1 1 -6  -8  32 o 26.45857 6.046860  211.1696       83.16816 118.0115       
136.3897 266.3137       104.9350 21.87130 9.067606 31.04585 8.002286 -9.174547 
12.09372 
1 1 1 -6  -7  1  o 184.9712 2.066564  6895.429       138.9918 6625.055       
159.0636 7768.523       285.8371 177.6313 2.132910 192.3112 3.540260 -14.67993 
4.133127 
1 1 1 -6  -7  2  o 348.8619 3.133718  24970.83       393.4630 26749.49       
812.1689 24425.36       449.7679 356.6998 5.423312 341.0241 3.141409 15.67566 
6.267437 
1 1 1 -6  -7  3  o 321.3401 2.941998  21376.98       282.7422 22152.31       
738.5391 21243.83       306.0594 324.6031 5.419284 318.0771 2.291893 6.525970 
5.883996 
1 1 1 -6  -7  4  o 90.77100 1.738492  1747.677       61.45555 1682.815       
108.7401 1778.117       74.49327 89.51544 2.893429 92.02657 1.928079 -2.511124 
3.476984 
1 1 1 -6  -7  5  o 212.1011 2.859852  9473.442       213.1812 9412.212       
447.1394 9491.454       242.5186 211.6056 5.033114 212.5965 2.717128 
-0.9908905     5.719705 
1 1 1 -6  -7  6  o 210.1157 1.856844  9256.842       163.2355 9107.015       
221.0349 9436.588       242.1004 208.2512 2.528100 211.9801 2.720330 -3.728867 
3.713689 
1 1 1 -6  -7  7  o 114.7366 1.472581  2755.636       69.86823 2716.150       
90.93060 2812.550       109.1678 113.7386 1.904247 115.7347 2.246736 -1.996124 
2.945163 
1 1 1 -6  -7  8  o 282.0708 2.562852  16680.63       271.5361 16638.33       
319.0792 16791.69       517.0470 281.4727 2.700121 282.6689 4.356855 -1.196136 
5.125704 
1 1 1 -6  -7  9  o 275.5829 2.367648  15949.35       271.7626 15919.36       
362.0753 15988.04       411.2683 275.2985 3.132680 275.8673 3.550962 
-0.5688477     4.735295 
1 1 1 -6  -7  10 o 139.2879 2.101181  4004.797       117.7737 3839.726       
145.5709 4317.579       200.3826 135.2156 2.564301 143.3603 3.329294 -8.144745 
4.202361 
1 1 1 -6  -7  11 o 226.3539 3.736774  10767.23       355.1107 10767.23       
355.1107 0.000000       0.000000 226.3539 3.736774 ?        ?        ? ? 
1 1 1 -6  -7  12 o 191.9801 2.374342  7768.262       190.6155 7431.829       
278.5852 8064.420       261.3787 188.0494 3.528638 195.9108 3.177847 -7.861313 
4.748684 
1 1 1 -6  -7  13 o 210.0556 2.632973  9263.020       231.9536 8995.250       
319.2483 9562.429       337.5828 206.8490 3.676175 213.2622 3.770401 -6.413193 
5.265946 
1 1 1 -6  -7  14 o 100.4206 1.930554  2122.141       79.96193 2135.808       
103.9841 2102.367       125.0833 100.8267 2.456475 100.0146 2.978907 0.8120880 
3.861108 
1 1 1 -6  -7  15 f 143.1754 2.541942  4320.653       147.7290 4344.023       
186.7381 4281.562       241.5122 143.7351 3.094505 142.6157 4.033598 1.119385 
5.083884 
1 1 1 -6  -7  16 o 306.2894 3.935104  19838.93       504.4802 19609.42       
740.5557 20037.66       689.1051 304.5517 5.791856 308.0271 5.328656 -3.475372 
7.870208 
1 1 1 -6  -7  17 o 41.80196 2.616191  366.4936       45.68816 421.3662       
66.84909 318.3951       62.58694 44.73087 3.559666 38.87306 3.834918 5.857803 
5.232381 
1 1 1 -6  -7  18 o 77.76199 2.150429  1272.739       70.17545 1225.530       
98.93952 1320.530       99.54942 76.30765 3.088324 79.21632 2.993265 -2.908676 
4.300858 
1 1 1 -6  -7  19 o 111.2250 3.496911  2584.908       141.2723 2556.400       
162.6693 2672.394       284.9647 110.1711 3.516893 112.2789 6.045246 -2.107841 
6.993821 
1 1 1 -6  -7  20 o 45.35622 3.906055  442.0080       71.67492 410.2169       
115.8999 461.6959       91.20721 43.95875 6.279990 46.75370 4.646588 -2.794952 
7.812109 
1 1 1 -6  -7  21 f 166.4174 3.394467  5873.713       235.8935 5720.803       
349.6320 6001.479       319.5953 164.3490 5.067167 168.4858 4.518123 -4.136795 
6.788933 
1 1 1 -6  -7  22 o 90.59457 2.500787  1739.062       94.75607 1866.703       
132.0326 1603.497       136.0692 94.06231 3.343387 87.12682 3.719880 6.935486 
5.001574 
1 1 1 -6  -7  23 o 110.8459 2.526846  2580.628       116.5653 2723.173       
178.8795 2475.425       153.6732 113.4473 3.755670 108.2445 3.381530 5.202805 
5.053692 
1 1 1 -6  -7  24 o 108.5929 2.700358  2494.549       122.7763 2577.870       
181.5875 2424.383       166.6379 110.2290 3.923839 106.9569 3.710960 3.272133 
5.400716 
1 1 1 -6  -7  25 o 79.88606 2.637106  1357.120       88.36345 1328.832       
126.8921 1383.752       123.1227 79.05247 3.823316 80.71965 3.633122 -1.667175 
5.274212 
1 1 1 -6  -7  26 o 74.36424 2.624391  1162.935       81.08989 1073.968       
105.8948 1289.064       126.0868 71.02084 3.551485 77.70765 3.864798 -6.686806 
5.248781 
1 1 1 -6  -7  27 o 89.44707 2.627275  1619.368       92.96069 1454.116       
111.6385 1993.063       167.8799 82.62466 3.218291 96.26949 4.153660 -13.64484 
5.254550 
1 1 1 -6  -7  28 o 33.34692 4.632704  250.4496       61.66958 214.7207       
79.33385 305.0048       98.03177 30.41778 6.412684 36.27605 6.687696 -5.858273 
9.265409 
1 1 1 -6  -7  29 o 60.27056 2.960622  773.3869       73.52975 706.9559       
93.86089 878.9235       118.3045 57.12709 3.913484 63.41402 4.443622 -6.286926 
5.921244 
1 1 1 -6  -7  30 o 22.23141 5.841615  109.8142       74.66351 59.21769       
120.4968 141.3472       95.12566 20.37994 8.490649 24.08288 8.025382 -3.702938 
11.68323 
1 1 1 -6  -7  31 f 24.98069 6.050992  149.8159       76.36393 224.3146       
121.8150 101.5852       98.01404 28.73250 9.056491 21.22888 8.027329 7.503624 
12.10198 
1 1 1 -6  -7  32 o 39.05511 5.303611  400.5788       82.69666 371.0701       
131.0664 420.0961       106.5924 36.36799 8.690118 41.74223 6.082352 -5.374237 
10.60722 
1 1 1 -6  -6  1  o 101.2495 1.853543  2137.727       78.13683 2043.709       
103.1055 2264.571       119.7596 98.65431 2.489354 103.8447 2.746927 -5.190399 
3.707087 
1 1 1 -6  -6  2  o 231.5093 2.962654  11166.92       276.7996 11598.46       
464.0966 10928.66       344.8496 234.9245 4.705451 228.0941 3.601113 6.830383 
5.925308 
1 1 1 -6  -6  3  o 147.9630 2.042421  4644.007       123.0951 4399.163       
197.0770 4800.632       157.6240 144.7246 3.243506 151.2013 2.483064 -6.476700 
4.084843 
1 1 1 -6  -6  4  o 181.9583 2.444205  7095.178       159.0281 6685.778       
321.0048 7228.337       183.0727 178.3789 4.286363 185.5377 2.350241 -7.158783 
4.888409 
1 1 1 -6  -6  5  o 304.8187 2.503582  19516.76       320.3533 19484.46       
449.3666 19550.13       456.8213 304.5638 3.514338 305.0736 3.566668 
-0.5097961     5.007164 
1 1 1 -6  -6  6  f 292.1762 2.662250  17704.61       290.6677 18435.97       
562.7078 17438.44       339.4635 296.1898 4.525159 288.1626 2.805928 8.027222 
5.324500 
1 1 1 -6  -6  7  o 532.9273 5.237454  59973.29       1128.635 59144.49       
1859.777 60456.49       1420.017 529.7842 8.361477 536.0704 6.309468 -6.286255 
10.47491 
1 1 1 -6  -6  8  f 27.31857 2.415926  156.8259       27.68411 158.2680       
38.44583 155.2729       39.89697 27.44948 3.336078 27.18766 3.495337 0.2618141 
4.831852 
1 1 1 -6  -6  9  o 325.1325 2.803954  22212.76       382.7158 22538.65       
541.3463 21887.10       541.1375 327.5190 3.936948 322.7459 3.993630 4.773071 
5.607909 
1 1 1 -6  -6  10 o 198.1316 2.327121  8259.948       181.8685 8286.296       
222.1683 8206.426       316.6486 198.6352 2.664078 197.6279 3.816368 1.007248 
4.654243 
1 1 1 -6  -6  11 o 398.0062 4.767684  32594.16       559.4738 32290.68       
603.4470 34451.71       1492.965 392.0168 3.666532 403.9955 8.802259 -11.97864 
9.535367 
1 1 1 -6  -6  12 o 128.0841 3.098147  3446.565       166.6005 0.000000       
0.000000 3446.565       166.6005 ?        ?        128.0841 3.098147 ? ? 
1 1 1 -6  -6  13 o 65.96339 1.904832  901.3813       51.68087 854.8167       
65.98788 975.2578       83.11685 63.79429 2.463788 68.13248 2.905735 -4.338184 
3.809665 
1 1 1 -6  -6  14 o 117.6749 1.851706  2905.938       91.42667 2812.958       
126.6555 3007.101       132.1106 115.7121 2.607152 119.6377 2.630213 -3.925575 
3.703412 
1 1 1 -6  -6  15 o 224.4529 3.014405  10663.29       226.9995 10702.88       
253.9815 10506.09       506.0876 225.6791 2.680599 223.2267 5.400086 2.452423 
6.028809 
1 1 1 -6  -6  16 o 109.2540 1.831386  2502.324       83.88928 2344.467       
115.4754 2678.739       122.0741 105.6140 2.604289 112.8940 2.575574 -7.279953 
3.662772 
1 1 1 -6  -6  17 o 66.14119 2.141940  909.7550       58.86467 852.0551       
76.95866 991.1085       91.38139 63.64940 2.879945 68.63299 3.171363 -4.983589 
4.283880 
1 1 1 -6  -6  18 o 97.65208 2.755589  2003.103       112.7396 2114.420       
166.1014 1908.015       153.5170 100.1537 3.950274 95.15043 3.842969 5.003296 
5.511178 
1 1 1 -6  -6  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -6  20 o 114.2071 2.902836  2755.280       137.8772 2715.412       
209.0305 2785.984       183.4416 113.4371 4.389101 114.9770 3.800212 -1.539902 
5.805672 
1 1 1 -6  -6  21 o 84.18702 2.660966  1494.078       93.55031 1495.688       
139.7138 1492.769       125.9538 84.20947 3.951842 84.16457 3.564535 
0.4489136E-01  5.321932 
1 1 1 -6  -6  22 o 59.90276 2.861522  758.4382       71.90350 767.4562       
99.99380 748.7824       103.4691 60.28059 3.951087 59.52494 4.140307 0.7556419 
5.723044 
1 1 1 -6  -6  23 o 134.6982 2.975961  3834.773       167.0371 3779.094       
222.3040 3906.972       253.1411 133.6455 3.961995 135.7509 4.441617 -2.105331 
5.951921 
1 1 1 -6  -6  24 o 94.59079 2.628735  1895.013       104.2410 1880.324       
151.2383 1908.306       143.8751 94.21831 3.823381 94.96326 3.608703 
-0.7449570     5.257469 
1 1 1 -6  -6  25 o 32.21429 4.747522  231.8070       62.13042 198.1262       
85.00313 270.4403       91.03837 29.60797 6.949914 34.82061 6.469510 -5.212645 
9.495044 
1 1 1 -6  -6  26 o 39.96600 4.240444  365.0118       65.49448 497.6808       
92.25138 230.1823       92.99953 48.19573 4.559165 31.73626 7.151186 16.45947 
8.480887 
1 1 1 -6  -6  27 f 36.45827 4.317772  296.0278       64.68527 300.8670       
90.04112 290.8667       92.98759 37.08425 5.783256 35.83228 6.413001 1.251968 
8.635545 
1 1 1 -6  -6  28 o 21.35465 5.412438  93.89094       61.56683 88.04266       
83.15710 100.9855       91.58976 20.75893 7.464443 21.95037 7.839645 -1.191444 
10.82488 
1 1 1 -6  -6  29 o 30.01589 5.072897  203.4890       64.48283 126.1757       
83.82822 315.5337       100.9157 23.29597 7.530694 36.73581 6.798954 -13.43984 
10.14579 
1 1 1 -6  -6  30 o 17.65519 4.957016  29.93998       62.37339 101.3962       
81.11604 -73.42841      97.56197 21.21428 7.397254 14.09610 6.600655 7.118177 
9.914032 
1 1 1 -6  -6  31 o 95.02523 3.156680  1940.154       121.0328 2209.154       
206.2449 1798.854       149.4780 99.35175 4.944573 90.69871 3.925520 8.653046 
6.313359 
1 1 1 -6  -6  32 o 22.06263 6.003576  112.2290       76.28925 147.1441       
125.6961 91.86640       95.99123 23.81654 9.065618 20.30871 7.873136 3.507835 
12.00715 
1 1 1 -6  -6  33 o 15.49544 5.087233  -51.30724      78.87144 21.75660       
121.7787 -104.0997      103.5156 17.81659 7.955192 13.17429 6.343082 4.642298 
10.17447 
1 1 1 -6  -5  1  o 151.4218 2.321222  4828.607       146.7455 4949.660       
198.8016 4683.688       217.5182 153.5174 3.084490 149.3261 3.469611 4.191223 
4.642443 
1 1 1 -6  -5  2  o 116.8234 2.038643  2856.562       99.29267 2944.460       
150.5105 2788.828       132.1218 118.4067 3.027690 115.2400 2.730814 3.166672 
4.077285 
1 1 1 -6  -5  3  o 251.3437 3.326946  13323.64       316.3226 13167.13       
592.6183 13386.00       374.0678 250.2452 5.640666 252.4421 3.529472 -2.196854 
6.653892 
1 1 1 -6  -5  4  o 129.4215 1.924645  3560.869       97.58954 3395.167       
170.3022 3641.884       119.0800 127.1428 3.190432 131.7002 2.153642 -4.557426 
3.849290 
1 1 1 -6  -5  5  o 209.0961 1.915568  9177.288       168.1202 8924.724       
235.0909 9441.646       240.5177 206.1528 2.716236 212.0394 2.701790 -5.886612 
3.831136 
1 1 1 -6  -5  6  o 395.9558 3.789181  32845.14       570.8589 32687.89       
676.1011 33235.63       1065.416 394.4369 4.082773 397.4748 6.384554 -3.037933 
7.578362 
1 1 1 -6  -5  7  o 153.6793 1.829110  4868.013       106.0123 4755.964       
124.2823 5167.305       203.1207 150.5045 1.966894 156.8542 3.084460 -6.349655 
3.658219 
1 1 1 -6  -5  8  o 201.0274 2.114296  8399.565       174.0992 8105.214       
221.2262 8878.454       282.1765 196.4586 2.682172 205.5963 3.269089 -9.137695 
4.228592 
1 1 1 -6  -5  9  o 210.3630 1.768288  9292.819       156.0208 9291.700       
225.6476 9293.846       215.9643 210.3492 2.555118 210.3768 2.445147 
-0.2763367E-01 3.536577 
1 1 1 -6  -5  10 o 323.9325 3.434662  21650.19       366.7469 21404.84       
406.4928 22723.97       850.3860 319.2334 3.032952 328.6316 6.163507 -9.398224 
6.869324 
1 1 1 -6  -5  11 o 124.6140 1.835648  3255.183       95.94289 3120.677       
132.2061 3404.835       139.4511 121.8998 2.583269 127.3282 2.608665 -5.428444 
3.671295 
1 1 1 -6  -5  12 o 415.5459 5.084530  36491.24       859.5477 36805.76       
1091.133 35976.84       1395.402 418.1174 6.215848 412.9745 8.048169 5.142944 
10.16906 
1 1 1 -6  -5  13 o 120.0514 2.095597  2994.739       103.3471 2876.004       
131.9102 3183.463       166.3036 117.0122 2.685150 123.0907 3.218085 -6.078575 
4.191194 
1 1 1 -6  -5  14 o 70.07185 2.544466  1031.425       74.85472 1031.425       
74.85472 0.000000       0.000000 70.07185 2.544466 ?        ?        ? ? 
1 1 1 -6  -5  15 f 55.99400 2.102328  653.2287       49.05447 615.2793       
64.82233 704.0861       75.04112 54.10997 2.853438 57.87804 3.088208 -3.768078 
4.204656 
1 1 1 -6  -5  16 o 116.2476 2.064449  2873.832       97.36406 2977.771       
124.0228 2706.884       157.1825 119.0417 2.481554 113.4534 3.299952 5.588226 
4.128898 
1 1 1 -6  -5  17 o 99.02564 2.274181  2066.286       92.78522 2080.951       
120.4054 2044.846       145.5886 99.47966 2.882921 98.57162 3.518006 0.9080353 
4.548362 
1 1 1 -6  -5  18 o 82.76955 2.896677  1459.578       99.53368 1594.982       
135.4521 1300.646       146.7494 87.01828 3.707629 78.52083 4.451564 8.497452 
5.793353 
1 1 1 -6  -5  19 f 96.00298 3.437931  1971.381       117.2469 1901.725       
240.0862 1993.196       134.3579 94.70751 6.038148 97.29845 3.289109 -2.590935 
6.875862 
1 1 1 -6  -5  20 o 32.83118 4.257961  233.5846       57.18481 249.7368       
78.99157 215.7977       82.89245 34.35339 5.476868 31.30896 6.521108 3.044422 
8.515923 
1 1 1 -6  -5  21 o 60.73588 2.837227  776.5470       72.26550 829.6088       
104.4456 727.8176       100.0911 62.72597 3.966103 58.74578 4.058259 3.980183 
5.674455 
1 1 1 -6  -5  22 o 89.63172 2.744983  1694.408       103.2695 1644.564       
144.4812 1746.470       147.6610 88.28272 3.898132 90.98072 3.865784 -2.697998 
5.489965 
1 1 1 -6  -5  23 o 73.80717 2.831378  1154.996       87.45612 1096.329       
126.7076 1208.375       120.8626 71.98682 4.192477 75.62752 3.806565 -3.640701 
5.662756 
1 1 1 -6  -5  24 o 69.86446 2.708073  1033.200       79.16834 1035.423       
107.7401 1030.590       116.7202 69.96969 3.667656 69.75922 3.985340 0.2104721 
5.416146 
1 1 1 -6  -5  25 o 23.85707 5.314691  124.0467       59.65446 137.6978       
79.19669 106.1435       90.69601 24.87427 7.182551 22.83987 7.835476 2.034401 
10.62938 
1 1 1 -6  -5  26 o 121.0535 3.063689  3089.028       147.9084 3008.149       
181.5973 3248.423       254.9339 119.0195 3.634231 123.0875 4.933268 -4.068069 
6.127378 
1 1 1 -6  -5  27 o 59.18722 3.047026  756.7098       75.04489 659.6694       
107.9596 847.4383       104.3895 55.38850 4.642614 62.98594 3.947608 -7.597443 
6.094052 
1 1 1 -6  -5  28 o 37.78327 4.379199  318.5058       67.69311 282.0337       
92.95616 359.6857       98.77346 35.12785 6.546899 40.43869 5.817873 -5.310844 
8.758397 
1 1 1 -6  -5  29 o 62.92316 3.104523  870.8529       80.51000 942.2327       
107.2575 778.7291       121.8501 66.14825 3.862160 59.69807 4.861683 6.450176 
6.209045 
1 1 1 -6  -5  30 o 53.95758 3.289045  633.9010       74.09293 595.0688       
98.68605 684.0707       112.1709 52.14904 4.507446 55.76611 4.791054 -3.617065 
6.578090 
1 1 1 -6  -5  31 o 38.17900 4.195612  325.0835       65.60557 299.2098       
82.85723 368.5637       107.4105 36.44756 5.414807 39.91045 6.410343 -3.462883 
8.391224 
1 1 1 -6  -5  32 o 38.45868 5.179826  389.9637       79.57561 222.9521       
117.9894 529.3141       107.7765 28.73664 8.884468 48.18071 5.328096 -19.44407 
10.35965 
1 1 1 -6  -5  33 o 86.37933 3.424733  1715.099       121.1850 1708.014       
192.4865 1719.752       155.9776 85.37511 5.370195 87.38357 4.251611 -2.008461 
6.849467 
1 1 1 -6  -4  1  o 122.2681 2.006579  3134.765       102.4302 3182.911       
153.6904 3096.289       137.3923 123.1090 2.973569 121.4271 2.695056 1.681847 
4.013158 
1 1 1 -6  -4  2  o 164.1152 2.386284  5658.075       164.2534 5992.190       
233.6790 5331.791       230.9241 168.9070 3.295286 159.3234 3.452317 9.583572 
4.772568 
1 1 1 -6  -4  3  o 33.98304 2.217788  248.2902       29.71057 225.2552       
50.51759 260.4709       36.73545 32.74632 3.674525 35.21976 2.484391 -2.473442 
4.435576 
1 1 1 -6  -4  4  f 21.48855 2.550193  98.27831       22.09921 73.86603       
30.06483 126.9710       32.59419 18.38950 4.005503 24.58761 3.157512 -6.198107 
5.100386 
1 1 1 -6  -4  5  o 119.7324 1.560647  3001.430       78.09187 2924.268       
104.9392 3097.192       116.9044 118.0140 2.117996 121.4508 2.292723 -3.436775 
3.121295 
1 1 1 -6  -4  6  o 179.5033 1.807506  6814.946       134.3822 6441.357       
204.4867 7098.935       178.2864 175.1363 2.781057 183.8702 2.309552 -8.733917 
3.615012 
1 1 1 -6  -4  7  o 167.5590 1.816735  5907.373       122.5593 5854.459       
204.2899 5937.125       153.1888 166.9632 2.914387 168.1548 2.169896 -1.191589 
3.633470 
1 1 1 -6  -4  8  o 415.2673 3.894737  36173.94       674.9803 35505.31       
902.6932 37021.86       1016.550 410.9587 5.231943 419.5759 5.770846 -8.617157 
7.789474 
1 1 1 -6  -4  9  o 32.71899 2.328214  225.5994       31.40284 283.9325       
45.52874 172.6658       43.37048 36.76854 2.949377 28.66945 3.603262 8.099085 
4.656428 
1 1 1 -6  -4  10 o 283.3111 2.938755  16858.73       347.1151 16931.00       
523.1652 16801.89       463.9429 283.8364 4.390275 282.7858 3.907761 1.050629 
5.877509 
1 1 1 -6  -4  11 o 103.2535 1.582537  2240.290       68.50880 2099.648       
96.66656 2382.216       97.10711 99.99441 2.302616 106.5126 2.171556 -6.518227 
3.165075 
1 1 1 -6  -4  12 o 200.7079 2.435717  8499.502       203.6565 8790.270       
274.3312 8142.507       303.9717 204.5601 3.194298 196.8558 3.677951 7.704285 
4.871434 
1 1 1 -6  -4  13 o 364.5947 4.564176  28147.13       666.6408 27496.99       
1119.028 28504.80       829.9986 361.1241 7.380833 368.0652 5.371230 -6.941040 
9.128351 
1 1 1 -6  -4  14 o 163.6223 2.847120  5624.547       195.3412 5244.992       
272.4426 6026.112       280.2304 157.9404 4.108684 169.3042 3.942473 -11.36372 
5.694241 
1 1 1 -6  -4  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -4  16 o 98.45737 1.806113  2026.589       74.46134 1890.103       
100.9962 2189.130       110.2152 94.84447 2.536379 102.0703 2.571955 -7.225792 
3.612225 
1 1 1 -6  -4  17 o 176.6778 3.645066  6580.509       269.9774 6509.206       
370.9761 6660.792       393.6427 175.6817 5.029681 177.6739 5.277153 -1.992188 
7.290132 
1 1 1 -6  -4  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -4  19 o 77.26248 2.537992  1257.899       82.26191 1318.139       
116.5450 1198.089       116.1280 79.11248 3.508889 75.41248 3.667876 3.700005 
5.075984 
1 1 1 -6  -4  20 f 109.3546 2.947703  2511.578       134.4210 2435.635       
178.8186 2610.249       203.8268 107.4868 3.962588 111.2225 4.365056 -3.735725 
5.895406 
1 1 1 -6  -4  21 o 176.3703 4.348415  6594.152       321.7941 6679.346       
464.3218 6515.415       446.3795 177.4414 6.232828 175.2992 6.065204 2.142258 
8.696830 
1 1 1 -6  -4  22 o 150.7641 3.124210  4788.146       193.3383 4744.604       
248.0664 4855.521       308.5762 149.9848 3.939506 151.5433 4.850055 -1.558548 
6.248419 
1 1 1 -6  -4  23 o 22.04469 5.315470  77.93700       65.40290 163.6833       
94.04239 -2.384621      91.01903 27.25939 7.812431 16.83000 7.209910 10.42939 
10.63094 
1 1 1 -6  -4  24 o 160.9967 3.929247  5523.557       265.4339 5600.243       
382.9324 5452.637       368.2580 162.0394 5.628888 159.9540 5.483755 2.085358 
7.858495 
1 1 1 -6  -4  25 o 52.81606 3.097095  594.6666       68.42229 632.2569       
94.97626 554.1071       98.65611 54.59016 4.144020 51.04196 4.603813 3.548195 
6.194191 
1 1 1 -6  -4  26 o 158.8550 3.629681  5342.142       233.3995 5171.795       
291.5174 5646.323       389.5507 155.7617 4.457842 161.9482 5.729397 -6.186462 
7.259363 
1 1 1 -6  -4  27 o 78.42279 2.651625  1309.006       87.28305 1298.971       
121.9247 1319.556       125.0067 78.12399 3.717306 78.72159 3.782341 
-0.5976028     5.303251 
1 1 1 -6  -4  28 o 70.17039 2.763211  1038.960       80.63270 952.0578       
105.5564 1160.716       124.9432 66.74418 3.766969 73.59661 4.043672 -6.852432 
5.526422 
1 1 1 -6  -4  29 o 93.13113 2.963836  1831.329       114.3737 1633.458       
147.8804 2125.895       180.4306 87.09166 4.044410 99.17060 4.333594 -12.07894 
5.927672 
1 1 1 -6  -4  30 o 34.91573 4.979589  287.2346       71.51241 323.4478       
98.92024 247.5884       103.5030 37.87166 6.221455 31.95981 7.776807 5.911852 
9.959178 
1 1 1 -6  -4  31 o 49.83237 3.754874  551.1934       78.28557 502.8295       
105.7668 609.7948       116.4240 47.43073 5.311418 52.23402 5.308969 -4.803291 
7.509747 
1 1 1 -6  -4  32 o 79.08241 2.995126  1399.790       96.80501 1500.477       
126.5725 1257.890       150.2610 83.05820 3.629761 75.10661 4.765287 7.951591 
5.990252 
1 1 1 -6  -4  33 o 35.28459 4.818445  309.5060       67.62240 314.4226       
85.86842 301.4784       109.7233 36.71937 5.570053 33.84980 7.864105 2.869568 
9.636889 
1 1 1 -6  -4  34 o 100.3294 3.515481  2274.203       137.8236 2517.565       
248.0947 2165.574       165.7535 102.4393 5.768621 98.21949 4.019630 4.219795 
7.030962 
1 1 1 -6  -3  1  o 181.1294 3.151678  6901.844       239.3389 6515.991       
339.6303 7282.497       337.3339 176.0889 4.594048 186.1698 4.315904 -10.08093 
6.303356 
1 1 1 -6  -3  2  o 151.8038 2.598180  4857.726       164.9262 4599.409       
240.1631 5088.269       226.8847 147.9656 3.866042 155.6420 3.472157 -7.676407 
5.196360 
1 1 1 -6  -3  3  o 84.81894 1.899257  1540.207       62.45429 1432.774       
110.3800 1590.797       75.74490 82.59461 3.183171 87.04327 2.072713 -4.448662 
3.798515 
1 1 1 -6  -3  4  o 65.45905 1.493567  897.3178       40.96254 864.9036       
55.82017 935.1415       60.29820 64.18174 2.071575 66.73636 2.152102 -2.554619 
2.987134 
1 1 1 -6  -3  5  o 91.22704 1.566840  1724.314       59.18083 1617.659       
76.59842 1882.265       93.21593 87.77495 2.078597 94.67912 2.345076 -6.904175 
3.133680 
1 1 1 -6  -3  6  o 238.9446 2.317965  11878.07       215.6329 11692.93       
259.1620 12294.62       388.7260 235.9716 2.615969 241.9176 3.827342 -5.945908 
4.635930 
1 1 1 -6  -3  7  o 321.4585 3.500175  21805.25       465.2825 21209.73       
718.0877 22236.20       610.8588 317.6224 5.385021 325.2945 4.472858 -7.672089 
7.000351 
1 1 1 -6  -3  8  o 385.5832 5.053486  31311.72       813.2186 31140.25       
1216.358 31450.32       1093.549 384.5693 7.533693 386.5970 6.737533 -2.027679 
10.10697 
1 1 1 -6  -3  9  o 368.9828 5.035184  28582.09       777.1044 27807.51       
1048.597 29525.81       1157.428 363.4879 6.871314 374.4778 7.361887 -10.98996 
10.07037 
1 1 1 -6  -3  10 o 185.5128 2.562048  7226.843       199.5032 7387.187       
285.6293 7074.101       278.7758 187.5210 3.628055 183.5046 3.618505 4.016418 
5.124096 
1 1 1 -6  -3  11 o 316.4176 3.989964  20960.18       502.6678 20752.71       
617.9619 21365.91       864.1875 314.2102 4.684493 318.6250 6.460247 -4.414856 
7.979929 
1 1 1 -6  -3  12 o 616.2885 6.228619  80055.27       1513.469 79891.30       
1846.106 80391.33       2643.034 615.8705 7.139837 616.7064 10.20811 
-0.8359375     12.45724 
1 1 1 -6  -3  13 o 87.88049 1.847783  1623.785       68.05125 1589.177       
98.64624 1655.210       93.99979 86.98454 2.701217 88.77644 2.522030 -1.791901 
3.695566 
1 1 1 -6  -3  14 o 316.6227 3.713042  21100.07       492.3208 21035.57       
721.8284 21156.17       673.2054 316.1420 5.438421 317.1033 5.056708 
-0.9613342     7.426084 
1 1 1 -6  -3  15 o 216.8903 3.283743  9936.728       291.7149 9716.674       
464.2039 10080.35       375.0154 214.8407 5.146515 218.9399 4.079861 -4.099136 
6.567486 
1 1 1 -6  -3  16 o 270.5605 5.286096  15518.78       597.1181 15093.22       
885.5793 15873.56       808.5702 267.0345 7.899166 274.0866 7.026694 -7.052124 
10.57219 
1 1 1 -6  -3  17 o 217.3016 6.666534  9986.176       608.1938 9986.176       
608.1938 0.000000       0.000000 217.3016 6.666534 ?        ?        ? ? 
1 1 1 -6  -3  18 o 60.43587 3.493039  724.0234       77.58221 868.3738       
158.9557 678.8839       88.88866 64.08514 5.907993 56.78662 3.728391 7.298519 
6.986077 
1 1 1 -6  -3  19 o 26.50823 4.717612  154.6751       55.52294 227.8865       
78.28245 80.56342       78.76234 32.29403 5.998354 20.72243 7.283075 11.57160 
9.435224 
1 1 1 -6  -3  20 o 101.7448 2.730772  2147.729       114.5482 2012.944       
146.7454 2357.950       183.2652 97.75270 3.575664 105.7370 4.128328 -7.984261 
5.461544 
1 1 1 -6  -3  21 o 78.82467 2.775371  1295.424       91.26958 1185.707       
121.0665 1439.879       138.9161 75.00694 3.844532 82.64240 4.003786 -7.635452 
5.550742 
1 1 1 -6  -3  22 o 81.81168 2.855792  1411.663       98.06200 1369.660       
138.3420 1454.081       139.0217 80.58369 4.089102 83.03968 3.987660 -2.455994 
5.711584 
1 1 1 -6  -3  23 o 78.05524 2.870616  1286.427       94.03777 1290.728       
131.3776 1281.909       134.6622 78.19535 4.001857 77.91512 4.116660 0.2802353 
5.741232 
1 1 1 -6  -3  24 f 141.1956 3.096894  4231.791       179.8534 4274.063       
232.8296 4169.244       283.2097 142.1988 3.899990 140.1925 4.811766 2.006317 
6.193788 
1 1 1 -6  -3  25 o 93.17626 2.784752  1843.236       108.5226 1903.169       
148.6808 1774.898       158.7631 94.84254 3.733987 91.50999 4.132398 3.332550 
5.569504 
1 1 1 -6  -3  26 o 76.55302 2.960391  1243.503       93.86565 1234.049       
122.8864 1256.745       145.4370 76.27881 3.837257 76.82725 4.509003 
-0.5484390     5.920781 
1 1 1 -6  -3  27 o 53.88277 3.274571  622.9761       72.60638 472.4242       
100.1594 789.7045       105.4030 46.89567 5.087213 60.86987 4.124505 -13.97421 
6.549143 
1 1 1 -6  -3  28 o 50.25772 3.409717  563.7919       68.68642 728.3765       
95.30768 385.9333       99.07645 58.39644 3.887430 42.11900 5.602907 16.27744 
6.819434 
1 1 1 -6  -3  29 o 35.59020 4.493282  285.1632       65.49210 284.7379       
88.97336 285.6662       96.75478 35.93693 5.897121 35.24347 6.781025 0.6934662 
8.986565 
1 1 1 -6  -3  30 o 40.59245 4.140296  366.8030       70.55341 372.0848       
100.5665 361.6838       99.00694 40.87836 5.859776 40.30653 5.850748 0.5718384 
8.280593 
1 1 1 -6  -3  31 o 17.86995 5.163205  24.92377       67.18641 91.37495       
88.57575 -65.11015      103.1019 20.86944 7.683975 14.87045 6.898642 5.998989 
10.32641 
1 1 1 -6  -3  32 o 24.77748 5.726868  152.4815       68.93069 136.6077       
102.0618 165.7950       93.46936 23.78873 8.297283 25.76624 7.895767 -1.977503 
11.45374 
1 1 1 -6  -3  33 o 18.97931 5.566508  56.47296       72.09408 54.96434       
94.63850 58.55899       111.2853 18.49459 7.597619 19.46404 8.137581 
-0.9694424     11.13302 
1 1 1 -6  -3  34 f 32.97549 5.390027  291.4393       73.07861 305.7456       
99.70645 274.8332       107.4218 34.33047 7.153118 31.62052 8.064891 2.709949 
10.78005 
1 1 1 -6  -2  1  o 247.0435 4.019955  12780.00       408.1465 13086.15       
650.6929 12581.41       524.0585 249.4332 6.213594 244.6538 5.102098 4.779388 
8.039910 
1 1 1 -6  -2  2  o 83.34409 1.733507  1520.166       57.59833 1230.307       
92.11555 1706.250       73.80637 76.54046 2.866573 90.14771 1.950115 -13.60725 
3.467014 
1 1 1 -6  -2  3  o 18.96805 3.366778  73.91541       26.10416 99.43863       
43.78490 59.84052       32.51466 21.32518 4.976540 16.61091 4.535947 4.714266 
6.733555 
1 1 1 -6  -2  4  o 68.98434 1.496079  996.1486       43.25874 926.2457       
59.43262 1074.907       63.08479 66.41834 2.131365 71.55035 2.100071 -5.132011 
2.992159 
1 1 1 -6  -2  5  o 124.7588 1.602678  3224.602       82.54868 3044.326       
106.1846 3499.983       131.2385 120.4126 2.100442 129.1050 2.421248 -8.692413 
3.205355 
1 1 1 -6  -2  6  o 122.4095 1.669785  3147.545       85.70927 3172.206       
118.5844 3120.572       124.0208 122.9127 2.298009 121.9064 2.423198 1.006310 
3.339571 
1 1 1 -6  -2  7  o 296.0157 3.409489  18422.88       420.7396 18362.53       
633.1880 18470.59       563.0073 295.5599 5.102797 296.4716 4.523265 
-0.9117126     6.818978 
1 1 1 -6  -2  8  o 297.5472 3.734058  18591.70       464.9526 18362.29       
630.8356 18864.53       687.9559 295.5562 5.083903 299.5383 5.470530 -3.982147 
7.468117 
1 1 1 -6  -2  9  o 334.8882 3.333216  23518.72       400.7991 23671.59       
817.7612 23470.39       459.8131 335.4979 5.805744 334.2785 3.276378 1.219391 
6.666432 
1 1 1 -6  -2  10 f 121.9827 1.760023  3099.547       89.45905 2933.661       
118.2423 3321.612       136.8068 118.1981 2.382776 125.7672 2.590965 -7.569061 
3.520045 
1 1 1 -6  -2  11 o 157.8948 1.854084  5164.947       114.9049 5041.738       
138.8179 5433.063       204.7798 154.9553 2.133831 160.8342 3.032701 -5.878906 
3.708168 
1 1 1 -6  -2  12 o 332.9205 3.099568  23335.50       421.5380 23118.55       
678.0414 23472.19       538.1868 331.6091 4.870246 334.2319 3.835361 -2.622864 
6.199136 
1 1 1 -6  -2  13 o 243.4686 3.341798  12384.14       334.2526 12093.01       
428.0961 12838.79       534.9794 239.8633 4.251074 247.0740 5.157404 -7.210709 
6.683595 
1 1 1 -6  -2  14 o 102.4759 1.952672  2181.963       83.18201 2047.502       
108.9344 2370.014       128.8260 98.73324 2.627984 106.2187 2.888842 -7.485413 
3.905344 
1 1 1 -6  -2  15 o 228.2987 2.431679  10909.47       231.7871 10556.51       
309.7820 11358.41       349.3698 224.1316 3.292108 232.4659 3.579705 -8.334244 
4.863359 
1 1 1 -6  -2  16 o 405.4133 5.524092  34358.84       878.7868 35881.10       
1563.177 33655.43       1062.601 411.3922 9.050513 399.4344 6.336447 11.95782 
11.04818 
1 1 1 -6  -2  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -2  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  -2  19 o 53.20324 2.975479  596.6260       66.45869 600.0438       
94.56006 593.2898       93.42382 53.35309 4.221523 53.05339 4.194358 0.2997017 
5.950958 
1 1 1 -6  -2  20 o 151.1740 3.217492  4797.534       202.7964 4611.061       
269.2022 5042.209       308.3652 147.8347 4.337339 154.5133 4.753578 -6.678604 
6.434984 
1 1 1 -6  -2  21 o 50.10737 3.332890  530.2736       70.10028 527.2087       
99.94198 533.2416       98.35072 49.96156 4.764672 50.25317 4.661601 
-0.2916145     6.665780 
1 1 1 -6  -2  22 o 43.43274 3.688839  396.0677       66.92638 371.7530       
89.36461 427.1236       100.9954 41.93433 5.075945 44.93114 5.353962 -2.996811 
7.377677 
1 1 1 -6  -2  23 o 152.7574 3.256021  4932.245       207.0723 4940.242       
275.7670 4921.906       313.5461 152.9654 4.294080 152.5494 4.895669 0.4160309 
6.512043 
1 1 1 -6  -2  24 o 38.57261 4.816650  328.2988       74.60651 228.7790       
104.0420 433.6382       107.0409 31.98884 7.805228 45.15639 5.646141 -13.16755 
9.633301 
1 1 1 -6  -2  25 o 187.1915 3.989389  7480.324       311.0801 7465.067       
469.6864 7492.246       415.2020 186.8266 5.988117 187.5564 5.272889 
-0.7297516     7.978778 
1 1 1 -6  -2  26 o 108.6915 2.857015  2507.187       130.2460 2375.219       
183.8420 2640.174       184.5513 105.7906 4.139225 111.5924 3.939158 -5.801888 
5.714031 
1 1 1 -6  -2  27 o 156.9727 3.335879  5259.714       219.7007 5022.468       
305.0468 5515.411       316.6874 153.2859 4.740075 160.6594 4.695108 -7.373520 
6.671757 
1 1 1 -6  -2  28 f 19.92593 5.032278  32.32910       67.55130 158.6878       
91.30146 -120.5018      100.4109 26.37520 7.743115 13.47666 6.429574 12.89854 
10.06456 
1 1 1 -6  -2  29 o 35.08881 4.420161  273.6033       63.67693 251.7337       
85.98023 300.1701       94.76487 33.26464 6.384302 36.91299 6.114897 -3.648357 
8.840322 
1 1 1 -6  -2  30 o 19.82191 5.365334  57.03555       65.05614 6.032610       
87.77826 119.1942       96.90367 16.39019 7.052794 23.25363 8.087357 -6.863443 
10.73067 
1 1 1 -6  -2  31 o 39.73492 4.530594  362.9041       72.61226 444.1526       
104.8938 288.1443       100.6181 44.63116 5.597996 34.83868 7.125137 9.792477 
9.061189 
1 1 1 -6  -2  32 o 21.83181 5.697291  87.49657       71.98331 25.72678       
95.01089 170.7285       110.2885 17.50014 7.427208 26.16348 8.641359 -8.663338 
11.39458 
1 1 1 -6  -2  33 o 21.90651 5.680294  110.3364       68.99232 132.5484       
98.76734 89.16988       96.41495 23.25267 8.157305 20.56034 7.907042 2.692322 
11.36059 
1 1 1 -6  -2  34 o 40.46593 4.892415  408.0781       80.69644 404.3737       
108.2193 412.7175       121.1095 40.93589 6.296826 39.99596 7.489518 0.9399223 
9.784830 
1 1 1 -6  -1  1  o 272.4765 3.221326  15646.94       359.3008 15809.98       
460.8982 15394.36       573.6704 274.3240 4.001863 270.6289 5.049046 3.695099 
6.442652 
1 1 1 -6  -1  2  o 44.59464 2.053707  418.6109       35.71071 415.0128       
63.52135 420.2736       43.18040 44.45063 3.403791 44.73866 2.298925 
-0.2880287     4.107414 
1 1 1 -6  -1  3  o 73.18037 1.754927  1107.989       50.51609 1171.492       
89.76102 1078.552       61.11282 74.68861 2.862559 71.67213 2.030968 3.016472 
3.509854 
1 1 1 -6  -1  4  o 29.66053 2.082412  184.6986       25.91899 176.8439       
36.32844 192.8422       36.99049 29.01828 2.981921 30.30279 2.907559 -1.284506 
4.164823 
1 1 1 -6  -1  5  o 213.4434 2.603912  9577.080       232.5527 9482.670       
342.3613 9657.958       316.8738 212.4596 3.838215 214.4272 3.519878 -1.967606 
5.207825 
1 1 1 -6  -1  6  o 64.40207 1.631027  855.3680       43.64442 710.4705       
57.79537 1047.644       66.57707 58.16820 2.366620 70.63593 2.245019 -12.46774 
3.262055 
1 1 1 -6  -1  7  o 73.61887 1.683710  1138.014       51.79647 1138.261       
77.07098 1137.810       69.94845 73.62510 2.493366 73.61264 2.263324 
0.1245880E-01  3.367419 
1 1 1 -6  -1  8  o 389.2546 3.549857  31931.52       571.8568 31347.50       
882.4390 32354.36       750.8570 386.1325 5.443389 392.3766 4.558009 -6.244049 
7.099714 
1 1 1 -6  -1  9  o 265.0157 3.322679  14738.15       369.3849 13987.35       
511.7053 15555.11       533.7715 257.9770 4.724544 272.0543 4.673270 -14.07727 
6.645357 
1 1 1 -6  -1  10 o 154.4570 1.577143  5008.439       102.2264 4978.826       
142.2653 5040.053       146.9904 153.9857 2.200593 154.9284 2.259846 
-0.9427643     3.154285 
1 1 1 -6  -1  11 o 288.3824 2.827188  17179.77       313.4642 16759.45       
372.2821 18203.75       581.0634 282.4751 3.139157 294.2897 4.702941 -11.81464 
5.654376 
1 1 1 -6  -1  12 o 216.9178 2.375377  9885.164       216.2883 9665.455       
305.6400 10105.56       306.1161 214.5016 3.393913 219.3340 3.324308 -4.832352 
4.750755 
1 1 1 -6  -1  13 o 142.5264 1.965634  4258.499       116.1094 4315.804       
179.7037 4217.431       152.1271 143.3422 2.986099 141.7106 2.556967 1.631546 
3.931268 
1 1 1 -6  -1  14 o 445.3596 5.664256  41861.41       1058.681 40811.25       
1503.883 42893.12       1490.608 439.7825 8.145114 450.9367 7.873518 -11.15424 
11.32851 
1 1 1 -6  -1  15 o 151.3844 2.213795  4847.299       138.0634 4640.106       
214.7335 4993.309       180.2616 148.5939 3.442071 154.1749 2.784906 -5.580948 
4.427591 
1 1 1 -6  -1  16 o 134.1755 3.740338  3721.217       192.1034 3961.000       
359.1069 3625.090       227.3722 137.0650 6.240485 131.2861 4.125150 5.778900 
7.480676 
1 1 1 -6  -1  17 o 128.1600 2.145161  3359.363       99.01143 3634.081       
204.6354 3275.393       113.1359 131.4479 3.708072 124.8720 2.158025 6.575867 
4.290323 
1 1 1 -6  -1  18 o 33.14176 3.620963  218.8837       47.58569 318.6663       
79.78767 163.7971       59.28319 38.88025 4.887961 27.40327 5.343532 11.47698 
7.241926 
1 1 1 -6  -1  19 o 32.50529 6.450263  231.4671       84.89726 0.000000       
0.000000 231.4671       84.89726 ?        ?        32.50529 6.450263 ? ? 
1 1 1 -6  -1  20 o 182.6649 3.698891  7035.003       274.9599 6977.281       
347.7894 7131.219       449.0300 181.8240 4.556027 183.5059 5.828361 -1.681915 
7.397782 
1 1 1 -6  -1  21 o 129.9818 3.172851  3596.110       170.9067 3784.197       
227.9258 3354.528       258.3135 133.9629 4.052566 126.0007 4.883097 7.962212 
6.345702 
1 1 1 -6  -1  22 o 61.28425 2.916409  791.7604       74.57138 789.6368       
99.98674 794.4223       111.9429 61.20711 3.891003 61.36138 4.345327 
-0.1542702     5.832819 
1 1 1 -6  -1  23 o 110.5242 2.853111  2580.305       131.5292 2610.608       
176.8201 2542.767       196.8007 111.2834 3.784620 109.7649 4.270554 1.518578 
5.706223 
1 1 1 -6  -1  24 o 103.9465 2.812330  2283.738       122.1998 2256.822       
180.8574 2306.348       165.7611 103.3525 4.168085 104.5406 3.776753 -1.188156 
5.624660 
1 1 1 -6  -1  25 o 89.14041 2.982753  1672.770       111.3089 1540.996       
150.9287 1829.908       164.8154 85.31418 4.213779 92.96664 4.222714 -7.652466 
5.965505 
1 1 1 -6  -1  26 o 54.85022 3.325587  642.3293       76.27652 685.3008       
105.8661 595.9406       109.9949 56.80421 4.439128 52.89624 4.953004 3.907970 
6.651173 
1 1 1 -6  -1  27 o 20.29142 5.405622  57.71819       65.49311 7.233082       
89.99444 114.5602       95.49236 17.02356 7.226891 23.55927 8.040836 -6.535707 
10.81124 
1 1 1 -6  -1  28 o 34.45609 5.178864  272.6714       72.64828 237.4758       
104.7550 305.2838       100.8373 32.09538 7.832364 36.81679 6.777654 -4.721413 
10.35773 
1 1 1 -6  -1  29 o 36.44918 4.859618  315.3148       71.17842 169.1174       
101.7072 455.6505       99.64740 27.05169 8.225697 45.84667 5.177012 -18.79498 
9.719235 
1 1 1 -6  -1  30 o 45.17820 3.778144  447.1780       71.58150 449.8022       
99.13315 444.3192       103.4691 45.36469 5.205015 44.99172 5.477709 0.3729706 
7.556287 
1 1 1 -6  -1  31 o 41.41223 4.141530  381.9970       71.79128 372.0798       
97.36190 393.8141       106.2796 40.90227 5.669734 41.92219 6.038475 -1.019917 
8.283059 
1 1 1 -6  -1  32 o 28.60674 5.366756  199.3580       70.23569 106.4179       
98.75002 294.5074       99.91677 22.09429 8.115394 35.11919 7.024860 -13.02489 
10.73351 
1 1 1 -6  -1  33 o 34.43484 5.343623  297.6678       76.10789 335.9800       
100.9810 247.2859       115.8000 38.04650 6.321878 30.82317 8.616906 7.223330 
10.68725 
1 1 1 -6  -1  34 o 23.38231 5.837617  137.4554       73.02975 95.89887       
102.8041 179.7898       103.7619 20.81972 8.131955 25.94490 8.377494 -5.125181 
11.67523 
1 1 1 -6  -1  35 o 16.43087 5.303742  -12.58295      81.23604 7.066200       
119.2461 -29.59932      110.9700 17.22804 7.774864 15.63370 7.215968 1.594344 
10.60748 
1 1 1 -6  0   1  o 215.3200 3.556440  9720.222       321.0853 9148.331       
441.8194 10360.33       467.4285 208.6242 5.044302 222.0158 5.014786 -13.39160 
7.112880 
1 1 1 -6  0   2  o 134.2667 2.162740  3849.824       116.5667 3559.637       
191.8916 4019.528       146.7449 130.1792 3.511037 138.3542 2.526340 -8.174927 
4.325480 
1 1 1 -6  0   3  o 55.14817 1.543602  637.6989       35.69821 682.4634       
51.45532 596.1591       49.56738 57.01169 2.149747 53.28465 2.215720 3.727043 
3.087204 
1 1 1 -6  0   4  o 257.8150 2.993151  13946.39       323.7334 13261.17       
448.9654 14688.52       467.2374 251.2262 4.256660 264.4037 4.209117 -13.17751 
5.986303 
1 1 1 -6  0   5  o 209.9245 1.832357  8865.388       130.1686 8612.983       
144.9378 9917.964       295.9780 202.5443 1.704444 217.3048 3.244226 -14.76056 
3.664715 
1 1 1 -6  0   6  o 116.1579 1.434835  2832.325       69.92860 2849.903       
100.8433 2816.043       97.05350 116.5045 2.061700 115.8112 1.996098 0.6933594 
2.869671 
1 1 1 -6  0   7  o 96.87342 1.420848  1959.916       57.61368 1771.783       
78.50475 2179.519       84.81697 91.86157 2.035556 101.8853 1.982862 -10.02370 
2.841695 
1 1 1 -6  0   8  o 224.4517 2.954889  10530.11       277.4496 9970.847       
373.6151 11217.73       414.2732 217.8464 4.085029 231.0570 4.270599 -13.21057 
5.909778 
1 1 1 -6  0   9  o 41.79898 2.065094  368.7367       35.58479 461.7026       
51.37746 283.0199       49.33373 46.88966 2.609856 36.70830 3.201111 10.18136 
4.130189 
1 1 1 -6  0   10 o 178.6924 1.884197  6728.587       138.8648 6579.233       
216.5056 6832.971       180.9989 176.9951 2.913594 180.3897 2.389930 -3.394592 
3.768394 
1 1 1 -6  0   11 o 491.8622 5.668477  50394.81       1090.002 49416.10       
1313.741 52556.91       1952.637 484.6048 6.457186 499.1196 9.318329 -14.51483 
11.33695 
1 1 1 -6  0   12 o 114.5340 1.849626  2721.889       87.10519 2600.917       
111.2832 2913.243       139.9605 111.2918 2.381702 117.7761 2.830540 -6.484291 
3.699251 
1 1 1 -6  0   13 o 171.8213 2.555223  6223.733       183.3500 5970.409       
270.3970 6439.343       249.4590 168.5650 3.820811 175.0775 3.393827 -6.512573 
5.110446 
1 1 1 -6  0   14 o 312.3153 4.310749  20534.51       559.1843 20519.82       
855.4170 20545.47       738.9231 312.1542 6.527242 312.4764 5.632524 
-0.3222046     8.621497 
1 1 1 -6  0   15 o 200.1434 2.816681  8366.065       227.8170 8619.507       
380.0405 8223.910       284.6258 202.4578 4.471121 197.8291 3.426929 4.628738 
5.633362 
1 1 1 -6  0   16 o 56.94776 4.210066  682.0551       100.6571 0.000000       
0.000000 682.0551       100.6571 ?        ?        56.94776 4.210066 ? ? 
1 1 1 -6  0   17 o 81.99466 2.145826  1416.709       72.26974 1394.898       
114.3000 1431.237       93.28272 81.45693 3.342251 82.53239 2.692141 -1.075455 
4.291651 
1 1 1 -6  0   18 o 96.38364 2.131986  1974.404       84.41105 1841.334       
131.3874 2067.935       110.1512 93.57127 3.344509 99.19601 2.644941 -5.624733 
4.263972 
1 1 1 -6  0   19 o 226.4899 3.216748  10812.02       304.2471 10833.25       
454.4831 10794.77       409.5561 226.6423 4.776368 226.3374 4.310009 0.3049164 
6.433496 
1 1 1 -6  0   20 o 134.2666 3.026076  3650.230       160.8857 3375.468       
194.1002 4253.419       287.5902 126.5973 3.651931 141.9359 4.826174 -15.33858 
6.052153 
1 1 1 -6  0   21 f 119.0634 4.322262  2991.081       216.0569 2991.081       
216.0569 0.000000       0.000000 119.0634 4.322262 ?        ?        ? ? 
1 1 1 -6  0   22 o 184.0915 4.292191  7165.235       329.7908 7359.251       
496.7111 7012.280       441.0277 186.2278 6.353022 181.9552 5.773277 4.272614 
8.584382 
1 1 1 -6  0   23 o 114.1221 2.957888  2749.509       141.6104 2845.705       
199.0500 2650.922       201.5074 116.1582 4.081627 112.0859 4.282140 4.072304 
5.915775 
1 1 1 -6  0   24 o 29.39782 5.623024  191.7840       71.11935 201.2490       
98.98385 181.6836       102.2517 30.08976 7.780055 28.70589 8.120613 1.383867 
11.24605 
1 1 1 -6  0   25 o 137.9607 3.552722  4037.632       205.7034 3942.146       
286.2943 4139.532       295.7534 136.2820 5.003747 139.6395 5.044784 -3.357529 
7.105443 
1 1 1 -6  0   26 o 89.89755 2.986723  1707.525       112.5226 1848.155       
164.4188 1583.635       154.3227 93.37353 4.194196 86.42159 4.253326 6.951942 
5.973446 
1 1 1 -6  0   27 o 108.3897 3.071983  2493.419       139.5782 2307.811       
193.2095 2696.022       201.8614 104.1550 4.418446 112.6245 4.269152 -8.469521 
6.143966 
1 1 1 -6  0   28 o 75.81833 2.931789  1226.151       93.16427 1201.150       
134.9028 1248.946       128.8162 75.04114 4.281961 76.59552 4.005789 -1.554382 
5.863577 
1 1 1 -6  0   29 o 76.03554 2.975857  1237.260       94.94863 1218.690       
131.8314 1257.276       136.8654 75.45968 4.161260 76.61140 4.255212 -1.151726 
5.951715 
1 1 1 -6  0   30 o 64.32190 3.054019  887.5587       82.14263 850.6884       
110.4706 933.1531       122.8470 62.88511 4.184271 65.75868 4.449720 -2.873569 
6.108038 
1 1 1 -6  0   31 o 59.79468 3.080622  769.0154       76.83995 723.1969       
101.9697 829.2209       116.8877 57.81728 4.200824 61.77207 4.507105 -3.954784 
6.161243 
1 1 1 -6  0   32 o 50.47204 3.656706  565.1965       77.37640 594.7474       
109.0331 535.2149       109.8247 51.88695 5.005199 49.05713 5.332353 2.829826 
7.313412 
1 1 1 -6  0   33 o 47.44758 3.906115  503.2881       76.98653 473.7614       
100.7028 544.8158       119.4270 45.97145 5.217643 48.92371 5.814390 -2.952259 
7.812230 
1 1 1 -6  0   34 o 20.91931 5.866603  89.39672       77.44958 64.49576       
113.8435 110.8516       105.6728 19.90394 8.270120 21.93467 8.323055 -2.030727 
11.73321 
1 1 1 -6  0   35 o 41.41767 5.400647  448.6458       91.57799 434.5228       
133.3446 461.2538       125.9898 40.02467 8.217719 42.81067 7.009781 -2.785995 
10.80129 
1 1 1 -6  1   1  o 123.2562 2.531107  3178.933       126.2976 3145.617       
158.4091 3237.063       209.2407 122.3836 3.083033 124.1288 4.015087 -1.745201 
5.062214 
1 1 1 -6  1   2  o 249.9771 3.570024  13374.44       348.4399 12469.16       
608.1542 13816.84       425.1380 243.5016 5.948848 256.4525 3.948607 -12.95090 
7.140049 
1 1 1 -6  1   3  o 50.30081 1.578437  525.3734       32.94259 422.4587       
44.31281 652.5173       49.25364 44.85452 2.353121 55.74711 2.104442 -10.89259 
3.156874 
1 1 1 -6  1   4  o 272.4072 2.384090  15541.20       267.6928 15354.19       
346.0428 15819.90       422.4314 270.3868 3.048354 274.4276 3.666481 -4.040771 
4.768181 
1 1 1 -6  1   5  o 64.62379 1.553150  876.6153       42.07381 811.6799       
58.82963 944.6033       60.19662 62.17435 2.253751 67.07323 2.137686 -4.898884 
3.106299 
1 1 1 -6  1   6  o 107.9178 1.844445  2370.707       81.71910 2112.947       
103.2642 2802.604       133.6697 100.3119 2.451989 115.5237 2.756022 -15.21185 
3.688890 
1 1 1 -6  1   7  o 229.2813 3.161946  11059.32       303.3654 10884.97       
445.6350 11209.91       414.1409 227.5848 4.663985 230.9778 4.270698 -3.393036 
6.323892 
1 1 1 -6  1   8  o 221.3651 2.700762  10307.06       250.6700 9784.786       
356.6485 10816.94       352.3918 215.8112 3.936294 226.9191 3.698927 -11.10796 
5.401525 
1 1 1 -6  1   9  f 463.2958 5.084622  45126.45       982.8398 44691.73       
1315.482 45675.72       1478.678 460.8412 6.799150 465.7504 7.562082 -4.909149 
10.16924 
1 1 1 -6  1   10 o 306.1089 2.355006  19720.09       300.6591 19334.43       
449.4874 20032.35       404.4604 303.3838 3.528956 308.8341 3.119406 -5.450256 
4.710012 
1 1 1 -6  1   11 o 215.7293 1.790228  9663.405       151.3426 9474.188       
182.7509 10076.42       270.0005 212.4195 2.049209 219.0391 2.936054 -6.619614 
3.580457 
1 1 1 -6  1   12 o 219.2409 2.948659  10015.94       260.9261 10404.88       
437.3658 9801.017       325.1216 222.4876 4.682309 215.9942 3.585294 6.493393 
5.897318 
1 1 1 -6  1   13 o 362.1615 3.670439  27580.26       557.3824 27561.01       
769.1034 27601.56       808.9186 362.0442 5.059927 362.2788 5.318424 
-0.2346497     7.340879 
1 1 1 -6  1   14 o 344.5917 5.187096  24884.66       732.1395 25651.72       
1180.138 24404.72       933.4968 348.7451 8.060200 340.4384 6.531237 8.306763 
10.37419 
1 1 1 -6  1   15 f 58.86583 5.286567  729.1244       130.6520 729.1244       
130.6520 0.000000       0.000000 58.86583 5.286567 ?        ?        ? ? 
1 1 1 -6  1   16 o 27.00201 4.210656  162.4288       45.61597 144.2512       
73.03391 174.0559       58.41043 25.68233 6.702744 28.32170 5.098208 -2.639378 
8.421312 
1 1 1 -6  1   17 o 311.8670 5.672852  20394.66       691.4854 21090.40       
1236.222 20077.86       834.1912 315.2623 9.339971 308.4717 6.441267 6.790588 
11.34570 
1 1 1 -6  1   18 o 70.20924 2.209435  984.3586       62.75206 1233.146       
107.7429 856.6419       77.19671 76.57807 3.351238 63.84041 2.880210 12.73766 
4.418869 
1 1 1 -6  1   19 o 154.2727 2.559344  5076.798       153.9856 4822.165       
270.6662 5198.654       187.2399 151.2982 4.261096 157.2471 2.836199 -5.948929 
5.118688 
1 1 1 -6  1   20 o 169.8675 2.947203  6086.419       184.9158 6073.108       
360.5893 6091.169       215.3943 169.5750 5.064915 170.1600 3.015074 
-0.5850067     5.894407 
1 1 1 -6  1   21 o 236.7630 5.596088  11962.18       556.1387 11724.06       
776.7620 12212.63       796.6115 234.3562 7.894646 239.1699 7.933433 -4.813721 
11.19218 
1 1 1 -6  1   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  1   23 f 63.30375 3.057932  847.0882       81.00621 867.0178       
110.9656 824.3497       118.5282 64.11720 4.122255 62.49030 4.517832 1.626892 
6.115864 
1 1 1 -6  1   24 o 100.5161 2.717871  2128.019       114.5321 2081.155       
157.1560 2181.105       167.2617 99.34657 3.767897 101.6857 3.917938 -2.339142 
5.435742 
1 1 1 -6  1   25 o 44.26340 4.508508  431.0027       77.84274 597.9028       
112.8402 279.4566       107.5246 53.08944 5.062637 35.43737 7.461653 17.65207 
9.017015 
1 1 1 -6  1   26 o 97.34411 3.027380  2007.213       123.6863 2073.420       
177.2393 1944.364       172.6873 98.91079 4.268129 95.77743 4.294555 3.133362 
6.054761 
1 1 1 -6  1   27 o 47.82272 3.706220  489.7439       74.04684 547.8229       
105.1591 432.6292       104.2825 50.68791 4.941555 44.95753 5.524970 5.730385 
7.412439 
1 1 1 -6  1   28 o 59.22722 3.305980  756.4664       81.29931 641.9279       
116.5728 864.9321       113.4404 54.72900 5.073420 63.72543 4.240098 -8.996433 
6.611960 
1 1 1 -6  1   29 o 67.74860 3.127019  980.7786       88.82362 1033.110       
129.7511 934.6254       121.8518 69.43623 4.450881 66.06096 4.393476 3.375267 
6.254037 
1 1 1 -6  1   30 o 89.96976 2.924213  1736.799       110.3152 1621.189       
154.2645 1857.791       157.8146 86.86087 4.230220 93.07864 4.038482 -6.217773 
5.848427 
1 1 1 -6  1   31 o 49.81381 3.505251  542.3690       73.22050 560.8148       
102.4054 523.0753       104.7327 50.73851 4.807356 48.88912 5.102595 1.849388 
7.010503 
1 1 1 -6  1   32 o 83.98393 2.744350  1520.776       96.63828 1433.838       
132.8712 1618.412       140.8082 81.43912 3.886144 86.52874 3.876044 -5.089622 
5.488700 
1 1 1 -6  1   33 o 52.01651 3.753193  584.2748       80.25956 452.1401       
103.7897 780.8154       126.5820 44.82922 5.514600 59.20380 5.092644 -14.37458 
7.506386 
1 1 1 -6  1   34 o 30.74898 6.426291  256.3412       88.98717 233.7892       
136.4648 273.0250       117.3753 29.22523 9.612297 32.27273 8.531858 -3.047497 
12.85258 
1 1 1 -6  1   35 o 73.34193 3.642176  1229.140       110.8266 1321.517       
172.4675 1164.166       144.6432 75.25843 5.458498 71.42542 4.823544 3.833008 
7.284352 
1 1 1 -6  2   1  o 37.62652 2.755391  296.6479       43.45865 320.4909       
63.16437 275.2154       59.88620 39.05879 3.851895 36.19424 3.941017 2.864544 
5.510781 
1 1 1 -6  2   2  o 19.89933 3.286696  83.23199       26.43942 103.8853       
43.12585 70.79439       33.46661 21.80090 4.839252 17.99776 4.448720 3.803143 
6.573391 
1 1 1 -6  2   3  o 343.1964 2.850968  24638.55       403.5493 24189.76       
521.6268 25307.57       636.8847 339.3457 3.661328 347.0471 4.371128 -7.701385 
5.701936 
1 1 1 -6  2   4  o 100.8962 1.577881  2110.914       66.27883 1943.582       
87.13271 2340.679       102.1019 96.21109 2.157134 105.5814 2.303390 -9.370277 
3.155762 
1 1 1 -6  2   5  o 123.4626 1.744116  3200.259       90.39500 3137.340       
127.0053 3264.854       128.6869 122.2328 2.474885 124.6924 2.458191 -2.459534 
3.488232 
1 1 1 -6  2   6  o 52.16828 1.735320  569.5901       37.93330 524.2759       
52.10083 620.7081       55.33689 49.96733 2.483588 54.36923 2.424279 -4.401897 
3.470639 
1 1 1 -6  2   7  o 88.82352 1.657829  1655.953       61.68310 1508.722       
86.06167 1811.481       88.45364 84.76450 2.418337 92.88255 2.268312 -8.118050 
3.315659 
1 1 1 -6  2   8  o 490.0693 4.644798  50607.64       952.2589 49542.88       
1398.916 51527.04       1299.921 485.2067 6.867300 494.9319 6.255939 -9.725159 
9.289596 
1 1 1 -6  2   9  o 241.7879 2.282693  12064.81       195.6865 12679.95       
411.0004 11884.49       222.5280 245.6685 3.984867 237.9074 2.227911 7.761078 
4.565386 
1 1 1 -6  2   10 o 777.9220 5.706312  126592.9       1785.411 124423.5       
2217.124 130595.2       3011.365 768.8899 6.868261 786.9540 9.114547 -18.06415 
11.41262 
1 1 1 -6  2   11 o 425.0063 3.188207  37943.55       568.5315 37477.64       
788.3351 38448.50       820.6905 422.2957 4.446469 427.7169 4.570293 -5.421204 
6.376415 
1 1 1 -6  2   12 o 203.4146 2.636774  8694.242       223.2048 8701.482       
296.7236 8684.803       338.7542 203.5235 3.472631 203.3057 3.968771 0.2177429 
5.273548 
1 1 1 -6  2   13 o 215.2303 2.501506  9739.372       225.3525 9635.105       
330.9311 9829.528       307.7258 214.1482 3.680817 216.3124 3.388469 -2.164185 
5.003013 
1 1 1 -6  2   14 o 405.4760 4.990832  34682.09       651.0341 34562.12       
1537.096 34708.32       718.6810 404.5858 9.049225 406.3662 4.212498 -1.780334 
9.981664 
1 1 1 -6  2   15 o 78.37034 2.812589  1314.026       90.81817 1130.557       
135.9220 1461.994       122.0651 73.32835 4.415082 83.41233 3.485639 -10.08398 
5.625179 
1 1 1 -6  2   16 o 219.4010 2.415308  10017.03       192.0510 10313.33       
388.6652 9921.313       220.9037 221.4641 4.180165 217.3378 2.420966 4.126221 
4.830616 
1 1 1 -6  2   17 o 351.2368 5.053088  25853.60       720.5632 26838.87       
1190.407 25283.84       905.2401 356.2210 7.959709 346.2526 6.227186 9.968445 
10.10618 
1 1 1 -6  2   18 o 148.6763 2.447937  4468.821       126.4448 4971.655       
276.8987 4336.343       142.1289 153.6852 4.291509 143.6673 2.356381 10.01782 
4.895874 
1 1 1 -6  2   19 o 53.49461 2.552822  605.1461       55.49920 590.0840       
90.07760 614.3625       70.46201 52.93863 4.052893 54.05059 3.105101 -1.111958 
5.105643 
1 1 1 -6  2   20 o 177.1925 2.264794  6498.963       148.4798 6833.727       
292.5848 6382.848       172.3171 180.1209 3.869090 174.2642 2.355273 5.856705 
4.529588 
1 1 1 -6  2   21 o 46.99557 2.868684  453.3307       55.05433 517.6566       
91.18501 416.4307       69.06287 49.53234 4.384859 44.45880 3.700053 5.073544 
5.737367 
1 1 1 -6  2   22 o 56.52545 2.928743  698.2888       65.30077 596.7479       
108.7864 755.4847       81.64633 53.14563 4.875600 59.90527 3.246330 -6.759647 
5.857485 
1 1 1 -6  2   23 o 34.74560 6.811347  265.1758       95.81759 0.000000       
0.000000 265.1758       95.81759 ?        ?        34.74560 6.811347 ? ? 
1 1 1 -6  2   24 o 83.42792 2.796637  1466.347       97.49789 1451.473       
131.3729 1484.583       145.4676 82.97531 3.771185 83.88052 4.130724 
-0.9052048     5.593275 
1 1 1 -6  2   25 o 26.93420 5.694229  158.0858       70.78754 116.3435       
103.1015 195.3101       97.36222 24.25174 8.350844 29.61666 7.743407 -5.364923 
11.38846 
1 1 1 -6  2   26 o 126.7702 3.061460  3387.935       162.4542 3189.741       
219.6229 3627.401       241.4094 122.7146 4.262874 130.8258 4.395232 -8.111237 
6.122921 
1 1 1 -6  2   27 o 89.64270 3.056556  1704.313       114.8668 1738.364       
167.6800 1674.205       157.6738 90.46359 4.414977 88.82181 4.228252 1.641785 
6.113112 
1 1 1 -6  2   28 o 109.1827 2.927037  2535.970       134.0802 2426.065       
189.4224 2646.329       189.8143 106.7816 4.225286 111.5838 4.051807 -4.802246 
5.854074 
1 1 1 -6  2   29 o 30.65284 5.782705  220.0425       77.00308 169.0971       
113.2772 263.8078       104.9918 27.40561 8.743607 33.90007 7.570209 -6.494469 
11.56541 
1 1 1 -6  2   30 o 64.50854 3.298537  897.5873       89.18925 905.3031       
123.0280 889.0402       129.4848 64.85333 4.518483 64.16376 4.806736 0.6895752 
6.597075 
1 1 1 -6  2   31 o 58.63909 3.403484  747.3427       83.73910 757.2205       
120.8390 738.2166       116.1500 58.98347 4.879755 58.29472 4.745819 0.6887550 
6.806968 
1 1 1 -6  2   32 o 50.45594 3.944182  561.5047       83.17976 496.0665       
112.7929 639.5212       123.1571 47.19886 5.692084 53.71302 5.461362 -6.514160 
7.888365 
1 1 1 -6  2   33 o 71.96184 3.229633  1139.353       97.07387 1153.078       
131.4139 1122.870       144.0163 72.61539 4.310561 71.30828 4.810528 1.307114 
6.459266 
1 1 1 -6  2   34 o 27.29110 6.178841  187.8172       84.82761 271.4522       
120.9721 106.9120       118.9814 32.20324 8.729503 22.37896 8.746889 9.824272 
12.35768 
1 1 1 -6  2   35 o 24.59741 6.240689  155.5691       83.37403 211.6528       
122.6408 107.3772       113.6852 27.52733 9.112435 21.66749 8.529262 5.859842 
12.48138 
1 1 1 -6  2   36 o 45.48719 5.180789  548.2346       92.43869 428.1904       
137.7303 646.6319       124.6955 38.97758 8.644899 51.99680 5.712094 -13.01923 
10.36158 
1 1 1 -6  3   1  o 85.91066 1.639221  1561.698       58.64961 1368.619       
84.38361 1742.134       81.57388 80.73238 2.489610 91.08894 2.133077 -10.35656 
3.278441 
1 1 1 -6  3   2  o 364.9130 5.814561  28307.72       755.5035 27561.18       
1546.561 28541.71       865.8464 361.3858 10.19335 368.4403 5.597509 -7.054504 
11.62912 
1 1 1 -6  3   3  o 271.5274 2.999596  15392.07       338.8824 14795.55       
446.5303 16202.32       520.4132 265.3763 4.007835 277.6785 4.464031 -12.30215 
5.999193 
1 1 1 -6  3   4  o 195.9609 2.861964  8046.941       233.9036 8243.918       
353.4988 7893.535       311.9608 198.0800 4.250777 193.8417 3.833308 4.238281 
5.723928 
1 1 1 -6  3   5  o 155.1779 2.148819  5005.634       138.3911 4738.374       
180.5254 5386.560       215.5214 150.2098 2.862602 160.1460 3.205497 -9.936188 
4.297638 
1 1 1 -6  3   6  o 488.4404 4.715152  49947.05       936.7098 49209.86       
1181.724 51193.24       1536.448 483.7497 5.818573 493.1312 7.421242 -9.381561 
9.430304 
1 1 1 -6  3   7  o 263.8135 2.673456  14479.67       285.7413 15150.25       
475.4906 14100.62       357.4920 268.5243 4.217737 259.1027 3.286362 9.421539 
5.346913 
1 1 1 -6  3   8  o 243.2637 3.346825  12406.32       339.3174 12191.45       
451.5120 12685.15       514.3373 240.8654 4.464943 245.6620 4.986905 -4.796585 
6.693649 
1 1 1 -6  3   9  o 400.6776 4.396197  33450.44       719.4993 32438.41       
910.7749 35130.52       1173.495 392.7801 5.523097 408.5752 6.841169 -15.79517 
8.792394 
1 1 1 -6  3   10 o 631.6140 8.336146  84353.73       2209.352 85297.16       
3184.007 83477.70       3068.201 634.9552 11.94406 628.2729 11.63206 6.682312 
16.67229 
1 1 1 -6  3   11 o 278.3823 2.110813  16229.70       244.3580 15949.28       
322.7233 16606.47       374.0866 275.5812 2.789342 281.1834 3.168864 -5.602173 
4.221626 
1 1 1 -6  3   12 o 395.9155 3.623595  32946.89       599.5344 32857.96       
809.4045 33054.98       892.3973 395.3533 4.876422 396.4777 5.361182 -1.124390 
7.247190 
1 1 1 -6  3   13 o 170.0680 2.567385  6064.000       170.8308 6111.344       
303.1803 6041.977       206.7815 170.5275 4.234748 169.6086 2.903922 0.9189758 
5.134769 
1 1 1 -6  3   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  3   15 o 383.7062 4.709090  30752.61       631.1838 31499.08       
1344.643 30541.64       714.8318 386.2867 8.291217 381.1258 4.467418 5.160828 
9.418180 
1 1 1 -6  3   16 o 107.3944 2.244267  2437.834       96.90528 2372.827       
161.2579 2474.578       121.2378 106.2517 3.614983 108.5371 2.660609 -2.285431 
4.488534 
1 1 1 -6  3   17 o 156.5634 2.107974  5147.658       125.2362 5158.272       
234.2321 5143.409       148.1975 156.6418 3.561721 156.4850 2.255741 0.1568298 
4.215949 
1 1 1 -6  3   18 o 169.8632 2.783865  6070.588       195.9695 6069.206       
302.3554 6071.590       257.3403 169.8161 4.240918 169.9102 3.607525 
-0.9410095E-01 5.567730 
1 1 1 -6  3   19 o 182.8101 3.157163  7036.028       219.6871 7051.029       
408.6295 7029.930       260.5435 182.8094 5.324173 182.8108 3.394685 
-0.1388550E-02 6.314325 
1 1 1 -6  3   20 o 150.3859 2.892783  4758.479       174.4069 4787.139       
294.4874 4742.995       216.4496 150.6524 4.655986 150.1194 3.434322 0.5330200 
5.785566 
1 1 1 -6  3   21 o 120.4054 2.196028  3045.750       108.9640 3077.833       
171.7555 3024.140       140.9635 120.9069 3.383613 119.9039 2.800237 1.003052 
4.392056 
1 1 1 -6  3   22 o 43.12477 3.169049  378.5045       56.03862 518.2280       
88.28940 284.2387       72.51879 49.56374 4.242927 36.68580 4.708403 12.87794 
6.338098 
1 1 1 -6  3   23 f 131.8992 2.249052  3632.534       122.4137 3817.799       
193.7888 3509.523       157.9074 134.6460 3.428123 129.1524 2.912199 5.493622 
4.498103 
1 1 1 -6  3   24 o 190.6934 4.416176  7714.980       353.3901 7395.760       
493.0036 8052.345       506.8210 186.6228 6.292256 194.7639 6.198223 -8.141052 
8.832353 
1 1 1 -6  3   25 o 49.58073 5.303821  521.3431       110.4030 521.3431       
110.4030 0.000000       0.000000 49.58073 5.303821 ?        ?        ? ? 
1 1 1 -6  3   26 o 158.2866 3.556912  5339.648       234.7283 5485.455       
316.5404 5161.523       349.8680 160.8180 4.688301 155.7552 5.350357 5.062851 
7.113824 
1 1 1 -6  3   27 f 130.6297 3.108959  3572.396       167.6400 3365.358       
215.5308 3889.471       266.7256 126.0079 4.074110 135.2516 4.697248 -9.243713 
6.217918 
1 1 1 -6  3   28 o 52.70712 3.594675  591.2907       79.31732 656.6505       
116.3545 534.5519       108.4097 55.43128 4.999761 49.98297 5.166153 5.448307 
7.189349 
1 1 1 -6  3   29 o 87.36987 2.793056  1606.845       101.8121 1458.858       
135.1135 1801.268       154.8677 82.78844 3.887319 91.95131 4.011659 -9.162872 
5.586113 
1 1 1 -6  3   30 o 33.89155 5.197640  264.9929       71.90305 289.7640       
102.5686 241.0562       100.8263 35.56301 7.121062 32.22009 7.573133 3.342922 
10.39528 
1 1 1 -6  3   31 o 47.33751 3.934315  492.2827       78.09601 513.9890       
109.7663 470.0315       111.1352 48.45673 5.395555 46.21828 5.727419 2.238445 
7.868631 
1 1 1 -6  3   32 o 46.79081 4.254018  487.1541       83.36022 535.0967       
122.4011 445.6820       113.8420 48.95681 5.955156 44.62481 6.076412 4.331997 
8.508036 
1 1 1 -6  3   33 o 31.49397 6.064093  241.8569       81.94224 308.0506       
128.1287 196.0477       106.5894 34.91293 8.750536 28.07500 8.397679 6.837921 
12.12819 
1 1 1 -6  3   34 f 40.68027 5.245285  399.8904       87.61430 369.6771       
122.1212 431.9362       125.7700 38.60551 7.807607 42.75502 7.006662 -4.149517 
10.49057 
1 1 1 -6  3   35 o 50.01059 4.297452  590.0155       89.30959 544.7383       
131.9682 628.2742       121.3096 47.77942 6.578843 52.24177 5.530931 -4.462357 
8.594904 
1 1 1 -6  3   36 o 69.66116 3.901495  1146.856       112.8996 1148.398       
171.8410 1145.685       149.7559 69.10777 5.922717 70.21455 5.080166 -1.106781 
7.802990 
1 1 1 -6  4   1  o 137.9955 2.510566  4064.514       124.0058 3876.492       
250.7327 4125.396       142.6771 135.8249 4.396963 140.1660 2.424557 -4.341141 
5.021131 
1 1 1 -6  4   2  o 142.7141 2.322209  4268.174       117.7711 4295.983       
243.9590 4259.724       134.4790 142.9956 4.063641 142.4327 2.248878 0.5628357 
4.644419 
1 1 1 -6  4   3  o 50.44950 1.826532  533.6713       38.09503 667.9644       
55.72071 415.8107       52.20045 56.40145 2.353138 44.49755 2.794211 11.90390 
3.653064 
1 1 1 -6  4   4  o 219.6246 1.809385  10123.56       166.4545 10053.42       
227.4526 10204.45       244.2480 218.8082 2.475987 220.4409 2.639125 -1.632690 
3.618769 
1 1 1 -6  4   5  o 144.5240 2.247114  4345.020       134.8331 4124.035       
176.1303 4657.863       209.5634 140.1315 2.993776 148.9164 3.351923 -8.784882 
4.494227 
1 1 1 -6  4   6  o 271.0437 3.895074  15196.71       432.4196 14380.38       
547.5370 16549.81       704.9283 261.5651 4.986028 280.5223 5.985476 -18.95715 
7.790147 
1 1 1 -6  4   7  o 276.7390 2.462039  16087.69       286.0269 15993.70       
406.4511 16179.89       402.5829 275.9369 3.508485 277.5411 3.455008 -1.604248 
4.924078 
1 1 1 -6  4   8  o 62.51188 1.724814  826.5418       44.77980 687.5635       
63.35284 965.3041       63.30359 57.22051 2.637154 67.80325 2.223816 -10.58274 
3.449629 
1 1 1 -6  4   9  f 569.1743 6.450690  68291.70       1528.830 68161.15       
2035.266 68460.74       2316.026 568.7120 8.524123 569.6365 9.684263 
-0.9244995     12.90138 
1 1 1 -6  4   10 o 241.4101 2.494909  12160.64       241.8461 11968.32       
299.7678 12519.22       409.3159 238.7176 2.991036 244.1025 3.993994 -5.384918 
4.989818 
1 1 1 -6  4   11 o 204.6642 2.414612  8697.022       195.3840 9098.965       
342.8653 8503.729       237.7674 208.1036 3.924325 201.2248 2.814440 6.878830 
4.829223 
1 1 1 -6  4   12 o 255.9818 3.343653  13481.75       281.4309 14246.97       
655.7888 13309.00       311.5814 260.2341 6.002343 251.7295 2.948210 8.504593 
6.687306 
1 1 1 -6  4   13 o 389.3154 9.433978  32084.38       1441.574 32455.37       
2542.184 31908.55       1750.173 390.1905 15.51856 388.4403 10.73193 1.750244 
18.86796 
1 1 1 -6  4   14 o 218.3606 5.074276  10274.32       395.6625 9609.122       
798.1121 10491.07       455.5876 213.3526 8.910192 223.3686 4.858148 -10.01607 
10.14855 
1 1 1 -6  4   15 o 277.9200 3.772375  16042.55       345.4529 16590.68       
798.3807 15916.29       383.1800 280.6060 6.776949 275.2340 3.316056 5.371918 
7.544751 
1 1 1 -6  4   16 o 128.7187 2.464317  3434.183       125.2428 3621.742       
220.7587 3345.162       152.0876 131.2507 4.006243 126.1866 2.870792 5.064102 
4.928634 
1 1 1 -6  4   17 o 131.6204 2.393009  3666.257       125.9479 3558.758       
211.9418 3724.944       156.5981 130.0914 3.880512 133.1494 2.801355 -3.058029 
4.786017 
1 1 1 -6  4   18 o 36.75211 3.447216  275.0899       51.82312 325.9940       
85.78236 245.8345       65.03163 39.33257 5.194776 34.17167 4.532936 5.160900 
6.894433 
1 1 1 -6  4   19 o 100.8304 2.161742  2140.311       90.79549 2116.351       
136.8471 2159.152       121.3530 100.3149 3.249309 101.3459 2.852106 -1.030907 
4.323484 
1 1 1 -6  4   20 o 154.9093 2.259458  5016.044       135.7919 5133.357       
245.6431 4964.419       162.9544 156.1412 3.747211 153.6775 2.525671 2.463715 
4.518917 
1 1 1 -6  4   21 o 71.85395 2.429836  1090.765       72.43500 1062.062       
110.5113 1112.384       95.91042 71.00464 3.707159 72.70326 3.142194 -1.698624 
4.859672 
1 1 1 -6  4   22 o 97.08382 2.324066  1951.601       91.70148 2112.568       
152.4560 1860.349       114.7880 100.1373 3.626350 94.03029 2.907701 6.107048 
4.648133 
1 1 1 -6  4   23 o 90.46721 2.425382  1716.990       85.58212 1741.035       
152.9497 1706.030       103.2602 90.87422 4.008935 90.06019 2.730997 0.8140335 
4.850763 
1 1 1 -6  4   24 o 72.02986 2.468060  1082.332       74.10104 1179.251       
113.3036 1009.895       97.95367 74.81168 3.607408 69.24805 3.369258 5.563637 
4.936121 
1 1 1 -6  4   25 o 105.5858 2.645365  2352.594       117.2159 2420.117       
165.2692 2284.248       166.2718 107.1199 3.674879 104.0517 3.806191 3.068184 
5.290730 
1 1 1 -6  4   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  4   27 o 23.55953 5.793513  107.6072       71.28302 73.93091       
100.4990 141.7027       101.1227 21.40884 8.118733 25.71022 8.267124 -4.301382 
11.58703 
1 1 1 -6  4   28 o 60.78553 3.331316  787.9028       84.97005 812.0283       
119.6923 763.3917       120.6449 61.74214 4.617487 59.82892 4.803070 1.913223 
6.662632 
1 1 1 -6  4   29 o 52.90434 3.629880  603.5019       80.28246 650.6334       
111.9153 553.5367       115.2304 55.10789 4.837230 50.70079 5.413440 4.407104 
7.259761 
1 1 1 -6  4   30 o 54.41198 3.570465  639.7705       81.48505 651.4545       
113.4683 627.3284       117.0916 54.96457 4.917143 53.85939 5.178280 1.105179 
7.140930 
1 1 1 -6  4   31 o 58.00090 3.343953  726.7500       81.33607 766.3701       
118.4082 691.3536       111.9190 59.48987 4.740891 56.51193 4.717207 2.977943 
6.687906 
1 1 1 -6  4   32 o 68.13322 3.071525  981.4039       86.55886 1154.296       
137.6430 868.3015       111.3276 72.89794 4.497384 63.36852 4.184566 9.529427 
6.143050 
1 1 1 -6  4   33 f 25.54863 5.996939  158.6426       77.28735 108.8583       
120.2063 193.7264       100.9101 23.03588 8.837129 28.06138 8.109148 -5.025507 
11.99388 
1 1 1 -6  4   34 o 60.26372 3.655589  815.9352       91.81003 711.8507       
130.2272 918.7878       129.4543 56.16256 5.523009 64.36488 4.790584 -8.202316 
7.311178 
1 1 1 -6  4   35 f 64.42000 3.848676  946.7655       103.5826 961.6464       
154.5648 934.6339       139.5578 64.62966 5.696393 64.21034 5.176904 0.4193192 
7.697351 
1 1 1 -6  4   36 o 27.39125 6.485088  222.0517       92.61877 144.8594       
137.6882 285.8461       125.1702 23.35305 9.325044 31.42946 9.014933 -8.076414 
12.97018 
1 1 1 -6  5   1  o 171.8260 2.573933  6180.940       174.6185 6263.387       
304.9443 6140.716       212.9966 172.6559 4.206880 170.9961 2.966932 1.659851 
5.147866 
1 1 1 -6  5   2  o 101.9717 1.697128  2210.770       71.68354 1963.606       
106.5877 2414.881       96.86063 96.69974 2.625445 107.2436 2.151280 -10.54387 
3.394255 
1 1 1 -6  5   3  o 216.8757 2.271741  9866.881       206.1238 9741.612       
279.2275 10016.89       305.5543 215.3693 3.088130 218.3822 3.332670 -3.012863 
4.543482 
1 1 1 -6  5   4  o 154.2475 1.685510  4937.995       104.9668 5203.746       
176.3922 4792.293       130.6095 157.4176 2.668992 151.0774 2.059189 6.340225 
3.371020 
1 1 1 -6  5   5  o 182.0649 2.550519  6959.629       194.8721 6854.504       
270.9260 7072.319       280.5050 180.6422 3.572338 183.4875 3.641289 -2.845306 
5.101038 
1 1 1 -6  5   6  o 146.0442 1.712228  4463.658       104.0577 4588.808       
159.0055 4369.909       137.6198 147.8260 2.562019 144.2623 2.272213 3.563644 
3.424455 
1 1 1 -6  5   7  o 211.7674 1.757531  9350.159       154.5852 8986.463       
202.5545 9857.470       239.2266 206.8748 2.332144 216.6601 2.629975 -9.785324 
3.515063 
1 1 1 -6  5   8  o 281.7040 3.712956  16683.19       439.0588 16292.13       
619.2156 17078.58       622.6445 278.3803 5.298153 285.0276 5.203245 -6.647369 
7.425913 
1 1 1 -6  5   9  o 305.2740 3.545570  19508.80       445.8738 19182.04       
575.0450 20001.40       706.0499 302.1201 4.533602 308.4280 5.452589 -6.307922 
7.091140 
1 1 1 -6  5   10 o 127.0262 1.756094  3388.239       93.63328 3383.936       
131.0516 3392.725       133.8269 126.9443 2.458953 127.1082 2.507790 
-0.1638870     3.512187 
1 1 1 -6  5   11 o 410.5868 4.728014  35524.80       775.1378 35334.75       
1316.551 35625.64       958.9670 409.5798 7.656320 411.5938 5.549526 -2.013977 
9.456028 
1 1 1 -6  5   12 o 283.8623 3.311062  16992.07       340.2221 16829.23       
683.1245 17045.78       392.3429 282.8582 5.752440 284.8663 3.280543 -2.008118 
6.622124 
1 1 1 -6  5   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  5   14 o 473.2037 6.539880  47811.70       1173.341 46073.28       
2173.907 48526.31       1393.793 466.4312 11.10132 479.9762 6.916710 -13.54501 
13.07976 
1 1 1 -6  5   15 o 210.9988 2.888988  9036.179       192.2940 9853.206       
476.0536 8876.879       210.2061 216.4086 5.239650 205.5890 2.435379 10.81969 
5.777975 
1 1 1 -6  5   16 o 255.0667 4.421495  13539.32       434.7542 14134.92       
799.0981 13288.89       518.1512 258.8191 7.354020 251.3143 4.910893 7.504868 
8.842990 
1 1 1 -6  5   17 o 87.67493 2.291157  1619.238       83.23715 1592.247       
127.9331 1639.052       109.6099 87.03103 3.501305 88.31882 2.956089 -1.287788 
4.582314 
1 1 1 -6  5   18 o 25.65030 4.325840  153.0562       49.11796 65.84013       
78.16488 209.9686       63.14181 19.72448 7.222570 31.57612 4.762987 -11.85164 
8.651680 
1 1 1 -6  5   19 o 126.3271 2.161155  3361.693       111.5599 3328.019       
179.2605 3382.979       142.5227 125.7858 3.394486 126.8684 2.675787 -1.082657 
4.322311 
1 1 1 -6  5   20 o 322.3629 4.184295  21803.69       520.7216 22422.09       
950.8336 21538.76       622.3447 325.1396 6.965555 319.5863 4.638355 5.553314 
8.368589 
1 1 1 -6  5   21 o 82.19249 2.226244  1400.871       74.51418 1505.418       
123.0869 1340.392       93.61812 84.55572 3.467287 79.82927 2.793308 4.726448 
4.452487 
1 1 1 -6  5   22 o 207.4041 2.487452  9058.264       207.1013 9068.898       
348.2777 9052.447       257.5923 207.3952 3.999890 207.4131 2.958133 
-0.1789856E-01 4.974904 
1 1 1 -6  5   23 o 141.9285 2.788068  4197.123       158.9173 4413.040       
270.0890 4082.791       196.5392 144.6073 4.448749 139.2496 3.361832 5.357605 
5.576135 
1 1 1 -6  5   24 o 66.61229 2.466768  910.1671       66.84704 1031.704       
111.7555 842.4567       83.41482 69.96244 3.804740 63.26213 3.140656 6.700306 
4.933535 
1 1 1 -6  5   25 o 135.3278 2.551726  3877.635       136.8176 3811.409       
235.3644 3911.436       168.1450 134.3513 4.172727 136.3044 2.938294 -1.953094 
5.103452 
1 1 1 -6  5   26 o 114.9845 2.338029  2738.290       100.7236 2900.717       
194.8468 2679.058       117.6646 117.1503 3.961604 112.8188 2.484194 4.331467 
4.676059 
1 1 1 -6  5   27 o 70.09683 4.288410  1041.858       126.2041 0.000000       
0.000000 1041.858       126.2041 ?        ?        70.09683 4.288410 ? ? 
1 1 1 -6  5   28 o 59.35394 3.328287  750.4320       82.81529 805.1545       
118.2070 697.6798       116.0596 61.50238 4.577962 57.20549 4.832417 4.296894 
6.656575 
1 1 1 -6  5   29 o 52.55239 3.610594  593.1804       79.36930 656.7307       
113.0702 531.4515       111.4379 55.38312 4.862859 49.72166 5.338367 5.661457 
7.221188 
1 1 1 -6  5   30 o 25.43875 6.067704  141.5413       76.89614 150.3404       
104.2693 131.0496       113.8572 25.92753 8.400559 24.94997 8.757781 0.9775600 
12.13541 
1 1 1 -6  5   31 o 16.92047 5.327461  -24.68448      76.21447 -50.25494      
116.6402 -5.633123      100.6797 16.76444 7.615353 17.07650 7.452096 
-0.3120594     10.65492 
1 1 1 -6  5   32 o 42.22810 4.431541  411.3838       74.41101 320.3494       
108.0432 493.5269       102.6314 37.00184 7.212304 47.45435 5.151399 -10.45251 
8.863083 
1 1 1 -6  5   33 o 42.06304 4.572876  397.3304       80.00529 440.5813       
123.7531 366.2733       104.8670 43.87581 6.718186 40.25027 6.205706 3.625542 
9.145753 
1 1 1 -6  5   34 o 38.88803 5.305182  369.2113       83.28620 335.7713       
128.3030 393.5638       109.4903 36.38554 8.536961 41.39053 6.300803 -5.004990 
10.61036 
1 1 1 -6  5   35 o 21.71392 6.045547  93.56825       81.45026 138.3459       
121.5726 57.09993       109.7142 23.91519 8.964379 19.51266 8.113844 4.402534 
12.09109 
1 1 1 -6  5   36 o 39.78807 5.202137  426.2013       95.33869 81.20739       
131.1023 813.4175       138.8933 20.71838 8.755309 58.85775 5.620808 -38.13937 
10.40427 
1 1 1 -6  6   1  o 180.6719 1.946480  6904.572       143.4108 6640.343       
229.9085 7072.862       183.4824 177.8130 3.079731 183.5308 2.381259 -5.717834 
3.892960 
1 1 1 -6  6   2  o 100.3545 2.220422  2140.505       87.69612 2041.438       
151.7255 2190.204       107.4651 98.58062 3.665964 102.1284 2.506352 -3.547813 
4.440844 
1 1 1 -6  6   3  o 37.52911 2.112800  297.5903       33.02480 313.1804       
44.72604 278.9010       48.97023 38.61771 2.758640 36.44051 3.200875 2.177200 
4.225600 
1 1 1 -6  6   4  o 237.3815 2.383368  11727.83       233.3073 11289.97       
300.2821 12394.75       370.5939 231.8536 3.084869 242.9094 3.633916 -11.05588 
4.766736 
1 1 1 -6  6   5  o 75.11472 1.613750  1185.090       50.86382 1172.238       
72.90324 1197.280       70.99917 74.71741 2.324054 75.51204 2.239537 
-0.7946320     3.227499 
1 1 1 -6  6   6  o 453.3179 6.401415  43324.18       1217.785 43334.95       
1748.102 43314.02       1697.432 453.3440 9.184592 453.2917 8.919401 
0.5221558E-01  12.80283 
1 1 1 -6  6   7  o 217.0647 1.958085  9417.019       149.0750 9053.356       
167.8698 10773.73       324.2401 207.6526 1.925556 226.4768 3.410077 -18.82422 
3.916170 
1 1 1 -6  6   8  o 409.7079 4.850813  35310.84       833.9826 34847.02       
1158.527 35809.72       1201.506 406.9285 6.781241 412.4872 6.938034 -5.558777 
9.701626 
1 1 1 -6  6   9  o 378.4767 2.891359  30042.65       453.4918 29762.08       
594.0687 30434.48       702.0363 376.3898 3.759412 380.5635 4.393933 -4.173767 
5.782718 
1 1 1 -6  6   10 o 246.7975 3.497346  12804.06       362.3630 12896.48       
511.7626 12711.14       513.1575 247.6923 4.921269 245.9026 4.970598 1.789673 
6.994693 
1 1 1 -6  6   11 o 75.21362 1.946312  1159.637       59.60930 1301.936       
99.26870 1079.392       74.54549 78.73264 3.003161 71.69461 2.476600 7.038025 
3.892625 
1 1 1 -6  6   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  6   13 o 303.3475 5.051820  19135.26       582.1738 19962.27       
1097.134 18811.14       686.8475 307.6394 8.494517 299.0555 5.470532 8.583923 
10.10364 
1 1 1 -6  6   14 o 148.9002 2.813259  4645.926       168.9944 4708.635       
281.9374 4610.762       211.1252 149.6585 4.487167 148.1419 3.394558 1.516663 
5.626517 
1 1 1 -6  6   15 o 159.4555 2.049756  5360.398       136.6743 4870.700       
195.0030 5833.227       191.6148 152.2656 3.050426 166.6454 2.738777 -14.37982 
4.099512 
1 1 1 -6  6   16 o 120.1723 2.455700  2997.184       115.7272 3140.575       
206.3948 2931.430       139.7648 122.2183 4.022385 118.1263 2.818205 4.092049 
4.911401 
1 1 1 -6  6   17 o 136.2656 2.209054  3876.682       119.7228 3981.713       
206.6756 3823.638       146.8759 137.6214 3.577043 134.9097 2.593154 2.711655 
4.418109 
1 1 1 -6  6   18 o 150.1069 2.234161  4675.519       126.2348 4874.566       
241.5728 4600.750       148.0575 152.2302 3.779794 147.9837 2.383075 4.246552 
4.468321 
1 1 1 -6  6   19 o 189.5207 2.744975  7514.671       204.3133 7687.396       
361.2435 7433.432       247.7452 191.0257 4.504322 188.0158 3.138571 3.009857 
5.489950 
1 1 1 -6  6   20 o 215.1328 2.743007  9843.173       223.8658 9519.986       
414.9707 9975.841       265.8732 212.4659 4.652104 217.7997 2.907624 -5.333862 
5.486014 
1 1 1 -6  6   21 o 158.1894 2.638899  5204.837       156.6015 5420.169       
301.1552 5125.031       183.3388 160.2819 4.475349 156.0969 2.797571 4.184967 
5.277799 
1 1 1 -6  6   22 o 103.2261 1.997619  2217.304       80.20131 2306.365       
144.9847 2178.036       96.27224 104.6623 3.299538 101.7900 2.252771 2.872269 
3.995239 
1 1 1 -6  6   23 o 219.5036 3.453717  10159.47       312.8835 10286.36       
490.9653 10072.70       406.0098 220.5302 5.302782 218.4769 4.426414 2.053268 
6.907434 
1 1 1 -6  6   24 o 149.6359 3.142759  4640.537       182.5600 4951.408       
332.9887 4506.942       218.2906 153.0048 5.183767 146.2670 3.554756 6.737839 
6.285518 
1 1 1 -6  6   25 o 103.4150 2.264848  2246.500       94.04402 2273.638       
158.4977 2231.754       116.8325 103.8451 3.635446 102.9849 2.702163 0.8602829 
4.529696 
1 1 1 -6  6   26 o 34.71576 4.550098  290.8108       61.06532 163.0661       
96.15741 377.1499       79.05241 27.22384 7.931704 42.20768 4.461128 -14.98384 
9.100197 
1 1 1 -6  6   27 o 102.0650 2.562783  2216.901       107.5728 2125.569       
168.1949 2280.120       139.9354 100.1965 3.998357 103.9335 3.206958 -3.737022 
5.125567 
1 1 1 -6  6   28 o 150.1404 3.639060  4791.704       227.1330 4661.245       
299.1626 4969.243       348.9934 147.8966 4.818038 152.3842 5.455046 -4.487564 
7.278119 
1 1 1 -6  6   29 o 100.8720 4.199139  2166.783       177.8320 2166.783       
177.8320 0.000000       0.000000 100.8720 4.199139 ?        ?        ? ? 
1 1 1 -6  6   30 o 62.30634 3.482150  834.1951       90.54494 962.5631       
131.1609 717.3229       125.1502 66.95723 4.665822 57.65545 5.170259 9.301785 
6.964299 
1 1 1 -6  6   31 o 124.2298 3.266631  3326.043       170.2483 3226.022       
235.2864 3435.959       246.6503 122.2990 4.582419 126.1606 4.656709 -3.861526 
6.533261 
1 1 1 -6  6   32 f 19.86773 5.736789  46.75803       75.43597 77.32758       
114.4787 23.29699       100.2891 21.58622 8.539382 18.14925 7.663025 3.436974 
11.47358 
1 1 1 -6  6   33 o 34.97568 5.844793  306.2495       84.40208 259.1187       
129.9327 340.6540       111.0129 32.01820 9.185169 37.93316 7.230429 -5.914955 
11.68959 
1 1 1 -6  6   34 o 47.48016 4.251073  502.2725       83.86646 603.2312       
129.6521 429.6359       109.9728 51.50873 5.995421 43.45158 6.028384 8.057152 
8.502146 
1 1 1 -6  6   35 o 65.48666 3.423475  935.3293       92.91760 1114.549       
146.2810 814.1082       120.3053 70.53806 4.939529 60.43528 4.741495 10.10278 
6.846950 
1 1 1 -6  6   36 o 32.60924 5.841993  290.8343       84.40520 184.0753       
119.2696 397.9427       119.4646 25.77521 8.971490 39.44328 7.485178 -13.66807 
11.68399 
1 1 1 -6  6   37 o 30.73057 6.449771  277.2559       88.95068 332.1870       
135.3087 235.4496       118.0421 33.25819 9.319995 28.20294 8.918290 5.055252 
12.89954 
1 1 1 -6  7   1  o 112.9618 2.483466  2648.078       107.0275 2757.566       
200.2510 2604.295       126.6314 114.5617 4.163477 111.3618 2.708483 3.199890 
4.966933 
1 1 1 -6  7   2  o 165.4975 3.126030  5531.767       184.8173 6184.466       
389.4672 5342.070       209.9637 171.5108 5.408794 159.4842 3.135796 12.02661 
6.252061 
1 1 1 -6  7   3  o 85.60974 1.624506  1538.663       58.37978 1553.552       
83.40401 1524.360       81.74399 86.01561 2.309568 85.20388 2.285165 0.8117294 
3.249012 
1 1 1 -6  7   4  f 194.6182 2.881484  7954.214       235.3750 7803.475       
328.2170 8113.816       337.7278 192.7216 4.056504 196.5149 4.093478 -3.793320 
5.762967 
1 1 1 -6  7   5  o 323.0730 4.479097  21937.69       607.0077 21516.54       
838.1014 22402.36       880.3317 319.8246 6.241743 326.3214 6.425721 -6.496826 
8.958194 
1 1 1 -6  7   6  o 315.3091 3.650827  20894.48       483.2253 20553.25       
676.8241 21249.27       690.1379 312.6846 5.155732 317.9336 5.170356 -5.248993 
7.301654 
1 1 1 -6  7   7  o 270.6992 3.500377  15398.52       397.7456 15179.90       
556.1892 15627.33       569.0248 268.7348 4.929690 272.6636 4.970787 -3.928741 
7.000755 
1 1 1 -6  7   8  o 209.4512 2.672749  9145.172       233.0008 8709.938       
306.9448 9736.985       357.9245 203.6240 3.590478 215.2784 3.960154 -11.65434 
5.345499 
1 1 1 -6  7   9  o 281.9283 3.670753  16701.75       434.3229 16410.67       
604.3386 17012.69       624.6136 279.3923 5.152131 284.4644 5.230035 -5.072052 
7.341507 
1 1 1 -6  7   10 o 210.7449 2.992628  9287.084       236.3909 9434.462       
452.6736 9231.824       277.1884 211.8400 5.089771 209.6498 3.149210 2.190247 
5.985257 
1 1 1 -6  7   11 o 360.4957 6.861807  27337.90       1001.349 27803.87       
1658.094 27070.39       1256.322 362.6402 10.89066 358.3512 8.350512 4.289001 
13.72361 
1 1 1 -6  7   12 o 371.1187 5.676922  28556.14       680.0216 29777.81       
1616.643 28293.51       749.5594 375.3839 10.25792 366.8534 4.866700 8.530426 
11.35384 
1 1 1 -6  7   13 o 120.5975 2.060765  3012.255       97.83357 3176.118       
173.4578 2935.808       118.4768 122.9577 3.360153 118.2373 2.386710 4.720413 
4.121531 
1 1 1 -6  7   14 o 576.3334 6.831433  70354.34       1439.746 69948.40       
2846.804 70493.85       1668.913 574.2092 11.80887 578.4575 6.872002 -4.248352 
13.66287 
1 1 1 -6  7   15 o 226.6567 3.150898  10633.26       269.5180 11189.38       
514.7037 10423.16       316.3575 230.5932 5.316574 222.7202 3.383292 7.872986 
6.301795 
1 1 1 -6  7   16 o 157.0557 2.507004  5208.749       155.2465 5113.547       
269.6624 5255.944       189.8677 155.9425 4.118861 158.1690 2.859241 -2.226563 
5.014008 
1 1 1 -6  7   17 o 441.7839 7.329878  41243.78       1210.777 42073.06       
2325.657 40935.44       1418.120 443.5339 12.48935 440.0339 7.676229 3.500000 
14.65976 
1 1 1 -6  7   18 o 150.5493 2.317080  4630.595       125.2453 5026.487       
260.2194 4511.233       142.8840 154.5600 4.010177 146.5385 2.322484 8.021515 
4.634161 
1 1 1 -6  7   19 o 236.0109 4.185676  11711.81       398.2441 11959.81       
666.4384 11574.06       496.6777 237.7449 6.676822 234.2768 5.049710 3.468155 
8.371351 
1 1 1 -6  7   20 o 290.0297 3.357015  17679.54       360.3324 17881.02       
702.7957 17607.69       419.6938 290.8151 5.756166 289.2444 3.456119 1.570648 
6.714030 
1 1 1 -6  7   21 o 145.9050 2.679655  4500.576       154.4306 4439.159       
267.5599 4531.257       189.1104 145.0645 4.393198 146.7454 3.069531 -1.680862 
5.359311 
1 1 1 -6  7   22 o 43.48008 3.189496  399.6665       56.94807 396.1930       
90.26779 401.9630       73.39794 43.29725 4.965849 43.66291 4.003983 
-0.3656540     6.378993 
1 1 1 -6  7   23 o 157.1039 2.518552  5194.447       146.8312 5208.143       
284.6296 5189.481       171.3980 157.1198 4.314895 157.0879 2.598866 
0.3184509E-01  5.037105 
1 1 1 -6  7   24 o 51.69367 3.114052  554.4836       66.27582 611.2776       
106.5740 518.6690       84.63097 53.79491 4.718793 49.59244 4.064760 4.202465 
6.228105 
1 1 1 -6  7   25 o 116.1066 2.440461  2845.301       113.7209 2825.991       
190.9428 2855.916       141.5674 115.7336 3.929749 116.4796 2.894906 
-0.7459717     4.880923 
1 1 1 -6  7   26 o 136.3746 2.601411  3940.586       146.3283 3847.992       
227.9374 4005.497       190.8466 134.9308 4.023700 137.8184 3.298363 -2.887573 
5.202822 
1 1 1 -6  7   27 o 75.00081 2.433239  1162.649       74.10286 1287.058       
123.9815 1093.504       92.42927 78.00558 3.785752 71.99603 3.057891 6.009560 
4.866479 
1 1 1 -6  7   28 f 112.4931 2.510809  2677.365       112.3816 2679.926       
192.4912 2676.040       138.4219 112.3891 4.079507 112.5971 2.928185 
-0.2079926     5.021618 
1 1 1 -6  7   29 o 72.66490 3.240794  1130.061       98.53359 1226.856       
138.6944 1031.421       140.0100 75.87373 4.354002 69.45607 4.801423 6.417664 
6.481588 
1 1 1 -6  7   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  7   31 o 87.94609 2.948879  1661.747       108.7351 1609.041       
156.1701 1711.338       151.4863 86.53100 4.298799 89.36118 4.037807 -2.830185 
5.897758 
1 1 1 -6  7   32 o 52.43528 3.959107  604.9507       86.65323 612.9677       
129.9474 598.5314       116.2808 52.61948 5.882230 52.25108 5.300705 0.3683929 
7.918213 
1 1 1 -6  7   33 o 20.13873 5.719506  54.71450       78.51305 -37.33482      
128.0770 110.1296       99.37456 17.70888 8.021187 22.56857 8.155463 -4.859695 
11.43901 
1 1 1 -6  7   34 o 84.93582 3.487722  1597.890       120.2538 1595.420       
196.1044 1599.379       152.2358 84.30356 5.540673 85.56808 4.237660 -1.264526 
6.975444 
1 1 1 -6  7   35 o 41.12061 5.436801  478.0489       93.31441 149.3469       
140.2632 739.0515       124.9870 24.93925 9.552138 57.30196 5.195369 -32.36271 
10.87360 
1 1 1 -6  7   36 o 19.38122 5.313472  29.04316       77.71893 -154.0890      
117.7266 170.5080       103.4705 13.46280 6.547908 25.29964 8.369996 -11.83684 
10.62694 
1 1 1 -6  7   37 o 19.11645 5.604489  23.60259       84.84325 -120.7022      
119.6146 169.7158       120.3618 13.95185 6.740866 24.28105 8.955553 -10.32920 
11.20898 
1 1 1 -6  8   1  o 462.3791 7.586884  45122.30       1274.860 45229.58       
2550.107 45086.56       1472.007 462.0291 13.14650 462.7291 7.577121 
-0.7000427     15.17377 
1 1 1 -6  8   2  o 48.37450 2.328751  497.0133       45.19903 472.3948       
75.07790 511.0083       56.60672 47.42003 3.771128 49.32898 2.733298 -1.908947 
4.657502 
1 1 1 -6  8   3  o 476.2285 6.287764  47815.46       1257.033 47259.17       
1782.850 48365.39       1772.620 473.4562 8.969251 479.0007 8.814557 -5.544525 
12.57553 
1 1 1 -6  8   4  o 302.7684 3.104621  19266.05       394.5169 19122.37       
563.7316 19403.96       552.3061 301.6575 4.451222 303.8792 4.329123 -2.221680 
6.209242 
1 1 1 -6  8   5  o 194.5331 2.333864  7907.502       188.0178 7708.666       
245.0100 8192.316       293.2361 191.5825 3.046134 197.4838 3.536772 -5.901306 
4.667729 
1 1 1 -6  8   6  o 222.1511 2.260072  10323.25       209.6078 9990.207       
280.0215 10747.65       316.1087 218.0980 3.058164 226.2043 3.328563 -8.106247 
4.520144 
1 1 1 -6  8   7  o 43.45937 2.134988  396.4254       38.92080 373.7877       
54.35682 420.2421       55.75443 42.18662 3.069024 44.73211 2.968801 -2.545483 
4.269975 
1 1 1 -6  8   8  o 149.7449 1.885609  4680.078       117.8504 4459.610       
156.9390 4965.151       178.4583 145.7281 2.565125 153.7617 2.764456 -8.033554 
3.771217 
1 1 1 -6  8   9  o 137.0662 2.466094  3893.532       133.4551 4101.061       
235.1992 3794.991       162.0716 139.7082 4.009912 134.4242 2.871775 5.284012 
4.932189 
1 1 1 -6  8   10 o 334.6614 5.775875  23659.64       719.3723 23483.74       
1384.536 23724.69       841.9384 333.4977 9.888546 335.8251 5.971566 -2.327362 
11.55175 
1 1 1 -6  8   11 o 198.1961 3.546548  8291.748       279.5317 8155.504       
477.4997 8362.782       344.7861 196.9019 5.776228 199.4903 4.116699 -2.588379 
7.093096 
1 1 1 -6  8   12 o 427.8572 7.023561  38750.74       1179.675 38469.27       
2071.129 38885.90       1435.240 426.2105 11.57455 429.5039 7.959368 -3.293365 
14.04712 
1 1 1 -6  8   13 o 360.6939 5.616296  27271.87       802.7642 27921.53       
1394.608 26949.95       981.7136 363.6265 9.135191 357.7613 6.536007 5.865204 
11.23259 
1 1 1 -6  8   14 o 417.0788 5.407666  36517.85       886.2118 37166.10       
1563.162 36210.80       1075.810 419.4576 8.876405 414.7000 6.179063 4.757629 
10.81533 
1 1 1 -6  8   15 o 69.05927 2.482440  1025.660       70.30450 842.9274       
104.7756 1175.314       94.81938 63.32347 3.941093 74.79505 3.019572 -11.47158 
4.964879 
1 1 1 -6  8   16 o 229.4415 2.266402  10823.12       170.4827 11449.34       
398.8987 10683.17       188.5723 233.3375 4.071919 225.5456 1.991428 7.791855 
4.532804 
1 1 1 -6  8   17 o 211.4040 2.676933  9364.468       206.5471 9467.513       
411.7094 9329.812       238.7684 212.0846 4.623838 210.7234 2.698890 1.361237 
5.353867 
1 1 1 -6  8   18 o 209.2458 2.533515  9222.523       216.1544 9151.357       
349.5197 9266.599       275.0623 208.5421 3.992078 209.9495 3.120593 -1.407486 
5.067029 
1 1 1 -6  8   19 o 275.5101 3.772325  16040.78       393.0358 15963.30       
737.5302 16071.51       464.4861 274.7312 6.394299 276.2890 4.004333 -1.557831 
7.544650 
1 1 1 -6  8   20 o 186.0348 2.686895  7239.460       191.8004 7408.740       
353.7398 7168.971       228.2673 187.4463 4.494985 184.6234 2.944951 2.822906 
5.373790 
1 1 1 -6  8   21 o 188.2872 2.590994  7455.444       187.9854 7498.899       
342.6903 7436.738       224.8326 188.5506 4.329075 188.0239 2.848178 0.5266113 
5.181989 
1 1 1 -6  8   22 o 139.4045 2.677842  4130.588       150.8375 3963.146       
247.1265 4230.006       190.4227 137.0552 4.294819 141.7538 3.199668 -4.698624 
5.355684 
1 1 1 -6  8   23 o 24.30536 5.005707  131.7971       55.84082 79.09837       
90.25034 164.4861       71.08031 21.30078 7.764663 27.30994 6.319685 -6.009163 
10.01141 
1 1 1 -6  8   24 o 253.4655 3.028633  13647.98       307.6492 13240.72       
514.9326 13874.04       383.6493 250.3038 4.900089 256.6272 3.560842 -6.323410 
6.057266 
1 1 1 -6  8   25 o 123.9262 2.271515  3163.613       112.2974 3460.569       
195.3020 3016.942       137.2564 128.1165 3.630970 119.7360 2.730418 8.380539 
4.543031 
1 1 1 -6  8   26 o 154.3901 2.196945  4956.389       133.9264 5222.183       
235.9346 4830.031       162.6752 157.3017 3.572559 151.4784 2.557947 5.823242 
4.393890 
1 1 1 -6  8   27 o 27.91129 5.026381  182.6993       60.61150 112.3874       
96.22858 228.9399       78.03716 23.59770 8.071773 32.22488 5.992035 -8.627178 
10.05276 
1 1 1 -6  8   28 o 57.97604 2.944182  713.1290       69.12206 714.3738       
113.8821 712.4028       86.97540 57.93210 4.682277 58.01998 3.570590 
-0.8788300E-01 5.888364 
1 1 1 -6  8   29 f 101.4688 2.572821  2146.805       106.2052 2332.183       
176.1870 2040.999       133.1069 104.7385 4.006714 98.19901 3.228602 6.539513 
5.145642 
1 1 1 -6  8   30 o 66.46918 2.908453  956.0063       78.42476 890.0320       
125.9890 997.7404       100.2052 64.41393 4.658800 68.52443 3.483101 -4.110504 
5.816907 
1 1 1 -6  8   31 o 43.10033 6.627677  411.5815       119.9281 0.000000       
0.000000 411.5815       119.9281 ?        ?        43.10033 6.627677 ? ? 
1 1 1 -6  8   32 o 72.42422 3.607045  1150.034       109.1788 1049.103       
156.4204 1245.919       152.4601 69.15052 5.387893 75.69792 4.797259 -6.547401 
7.214089 
1 1 1 -6  8   33 o 55.04166 4.082065  681.9037       92.77298 631.8145       
141.0574 720.0875       123.1582 52.90390 6.350813 57.17942 5.130322 -4.275528 
8.164130 
1 1 1 -6  8   34 o 75.58853 3.378295  1266.326       105.3996 1222.706       
162.8078 1297.798       138.2902 74.09752 5.233504 77.07954 4.273400 -2.982018 
6.756590 
1 1 1 -6  8   35 o 23.61923 6.022373  131.1011       80.37908 63.21642       
122.6213 182.2475       106.4357 20.54325 8.562344 26.69520 8.471256 -6.151943 
12.04475 
1 1 1 -6  8   36 o 17.19365 5.408191  3.276592       78.19005 13.36186       
117.3298 -4.780557      104.8710 17.89901 7.915346 16.48828 7.371662 1.410727 
10.81638 
1 1 1 -6  8   37 o 44.88621 5.154422  529.6038       90.67545 371.8250       
129.5765 681.0112       126.9333 36.29467 8.620284 53.47775 5.653579 -17.18308 
10.30884 
1 1 1 -6  9   1  o 153.6096 2.237631  4955.315       143.3714 4961.669       
215.4304 4950.263       192.0870 153.6932 3.338670 153.5261 2.980141 0.1670685 
4.475261 
1 1 1 -6  9   2  o 161.9224 2.053235  5525.343       138.4892 5343.680       
207.4089 5671.496       186.0363 159.5072 3.097193 164.3376 2.696385 -4.830353 
4.106470 
1 1 1 -6  9   3  o 430.6047 4.230325  38954.52       764.0866 37981.61       
1053.978 40032.26       1109.307 424.9550 5.907579 436.2545 6.056658 -11.29947 
8.460650 
1 1 1 -6  9   4  o 251.1124 1.942468  12793.62       178.1239 12360.15       
204.5205 14155.26       362.4825 242.6268 2.007794 259.5979 3.325883 -16.97110 
3.884937 
1 1 1 -6  9   5  o 534.2099 6.891539  60235.10       1545.311 59514.39       
2199.414 60937.73       2171.650 531.0188 9.865477 537.4010 9.625258 -6.382202 
13.78308 
1 1 1 -6  9   6  o 171.0453 2.256709  6132.927       161.8354 5925.938       
221.9310 6367.991       236.5031 167.9705 3.147069 174.1200 3.235260 -6.149582 
4.513419 
1 1 1 -6  9   7  o 277.3434 2.480443  16159.14       288.7940 16061.99       
410.3766 16254.46       406.4841 276.5160 3.534951 278.1708 3.480592 -1.654816 
4.960887 
1 1 1 -6  9   8  o 317.4885 3.809482  20653.02       398.9116 22079.57       
928.3021 20329.92       441.7814 323.8781 6.826984 311.0990 3.382439 12.77905 
7.618964 
1 1 1 -6  9   9  o 133.2704 1.867928  3760.390       101.9958 3584.385       
161.0283 3878.315       131.8079 130.6383 2.935977 135.9025 2.310123 -5.264206 
3.735857 
1 1 1 -6  9   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  9   11 o 183.6048 2.325462  6946.898       153.5305 7342.780       
316.3477 6824.924       175.5969 186.9291 4.030963 180.2804 2.320007 6.648666 
4.650924 
1 1 1 -6  9   12 o 424.0871 4.573210  37329.46       675.9869 38825.56       
1450.165 36914.13       764.0787 429.1027 8.049657 419.0716 4.342811 10.03110 
9.146420 
1 1 1 -6  9   13 f 173.7461 2.860495  6339.758       192.6670 6357.932       
347.3330 6331.681       231.5576 173.8845 4.757801 173.6076 3.176957 0.2768707 
5.720990 
1 1 1 -6  9   14 o 230.4393 4.077596  11149.98       374.7909 11269.79       
640.5626 11087.62       462.1550 231.2783 6.597019 229.6003 4.794423 1.678009 
8.155191 
1 1 1 -6  9   15 o 49.71019 2.990872  544.0136       59.54051 388.9823       
89.10980 669.0504       80.02664 42.99616 4.936474 56.42422 3.378237 -13.42806 
5.981744 
1 1 1 -6  9   16 o 173.9966 2.401304  6381.125       166.5522 6306.871       
283.4701 6420.273       205.8260 173.1857 3.898669 174.8076 2.804535 -1.621994 
4.802608 
1 1 1 -6  9   17 o 254.7794 2.914257  13553.40       263.1159 13851.32       
549.1074 13464.62       299.7714 256.4297 5.100469 253.1291 2.820780 3.300583 
5.828514 
1 1 1 -6  9   18 f 188.7684 2.815243  7506.672       210.7529 7475.718       
363.1626 7522.391       258.7882 188.3959 4.591458 189.1408 3.258970 
-0.7448425     5.630486 
1 1 1 -6  9   19 o 169.9680 3.313024  6096.565       223.2198 6069.524       
384.8779 6110.271       274.0124 169.5654 5.406384 170.3706 3.830864 
-0.8051910     6.626048 
1 1 1 -6  9   20 o 33.72655 4.173672  258.4606       54.92511 192.2183       
86.24571 303.6569       71.23951 29.50647 7.048574 37.94662 4.471661 -8.440157 
8.347343 
1 1 1 -6  9   21 o 117.6398 2.217652  2850.739       99.61526 3061.147       
187.3921 2767.860       117.6090 120.5415 3.702847 114.7381 2.441485 5.803398 
4.435304 
1 1 1 -6  9   22 o 30.13382 4.177988  197.2442       50.32742 209.4787       
78.53101 188.7176       65.55974 30.87634 6.276321 29.39131 5.516350 1.485031 
8.355975 
1 1 1 -6  9   23 o 59.05274 2.743338  747.9540       66.40142 665.6145       
102.3757 807.7480       87.24119 56.16769 4.341414 61.93779 3.354957 -5.770096 
5.486676 
1 1 1 -6  9   24 o 87.15647 2.319412  1585.067       82.79628 1663.683       
134.0193 1536.540       105.2932 88.86203 3.592298 85.45091 2.934977 3.411118 
4.638824 
1 1 1 -6  9   25 o 47.29653 3.432169  454.4948       66.75616 580.0135       
108.2357 377.4328       84.80786 52.35205 4.924450 42.24102 4.782146 10.11103 
6.864338 
1 1 1 -6  9   26 f 68.95186 2.524338  944.5746       69.42590 1194.125       
123.5990 829.5463       83.91470 75.17652 3.916100 62.72719 3.186422 12.44933 
5.048675 
1 1 1 -6  9   27 o 84.05100 2.542506  1479.468       86.85339 1547.353       
143.3359 1440.081       109.1798 85.49342 3.993406 82.60859 3.148024 2.884827 
5.085011 
1 1 1 -6  9   28 o 193.7227 2.777936  7929.607       215.3434 8042.473       
365.6014 7869.648       266.4730 194.4913 4.477428 192.9540 3.289429 1.537369 
5.555871 
1 1 1 -6  9   29 o 128.2781 2.267006  3459.623       117.0934 3562.733       
196.8503 3403.163       145.6660 129.6057 3.617704 126.9504 2.733037 2.655373 
4.534013 
1 1 1 -6  9   30 o 110.2735 2.439590  2603.621       108.6758 2505.151       
178.1454 2661.988       137.1528 108.4129 3.913945 112.1341 2.913320 -3.721184 
4.879180 
1 1 1 -6  9   31 o 42.15322 4.010681  384.0161       70.28614 416.4949       
108.7335 360.7044       92.11906 43.58864 5.941704 40.71780 5.388729 2.870846 
8.021361 
1 1 1 -6  9   32 o 40.31701 6.327873  455.8950       99.71023 233.6738       
192.3271 537.5789       116.6047 31.21741 11.33929 49.41661 5.620358 -18.19920 
12.65575 
1 1 1 -6  9   33 o 51.23554 4.194782  588.2003       89.92694 567.0055       
130.9752 607.1027       123.6892 50.20840 6.213462 52.26269 5.637167 -2.054287 
8.389564 
1 1 1 -6  9   34 o 73.16756 3.418376  1177.428       104.7260 1236.174       
155.0834 1128.181       141.9909 74.75967 4.941048 71.57545 4.725170 3.184219 
6.836752 
1 1 1 -6  9   35 o 22.25594 6.089502  105.6970       80.51729 107.5710       
122.1375 104.2566       107.0798 22.57115 8.853925 21.94074 8.362785 0.6304073 
12.17900 
1 1 1 -6  9   36 o 48.99660 4.464380  581.0413       88.76003 479.6262       
134.2529 659.7940       118.3054 44.24416 7.227509 53.74905 5.242698 -9.504887 
8.928761 
1 1 1 -6  9   37 o 23.63478 6.169690  151.7961       81.14850 193.8496       
122.1187 118.5433       108.5913 25.69434 9.064846 21.57522 8.371909 4.119118 
12.33938 
1 1 1 -6  10  1  o 180.9790 2.194233  6791.076       163.7909 6436.567       
210.3559 7336.965       261.0319 175.0648 2.862048 186.8932 3.326759 -11.82837 
4.388467 
1 1 1 -6  10  2  o 279.0844 4.805860  16490.81       546.9728 15975.93       
878.3870 16816.91       699.0428 275.4123 7.596676 282.7565 5.888603 -7.344147 
9.611719 
1 1 1 -6  10  3  o 428.7470 3.388349  38033.20       538.9907 37365.62       
626.5046 39934.63       1057.333 421.7496 3.538268 435.7444 5.779644 -13.99475 
6.776698 
1 1 1 -6  10  4  o 319.4708 2.536838  21382.71       337.2219 21021.31       
446.2520 21863.83       514.8850 316.3470 3.359987 322.5947 3.801667 -6.247711 
5.073676 
1 1 1 -6  10  5  o 783.4579 9.199990  129362.2       2943.735 126923.1       
3735.747 133357.5       4781.223 774.6144 11.48717 792.3014 14.37373 -17.68701 
18.39998 
1 1 1 -6  10  6  o 130.5277 2.071169  3569.288       113.3279 3420.513       
155.1225 3739.589       165.9660 127.6187 2.895221 133.4368 2.962544 -5.818100 
4.142338 
1 1 1 -6  10  7  o 388.5851 6.687028  31478.46       1003.248 32855.62       
1838.554 30894.52       1197.195 394.1708 11.10997 382.9994 7.445398 11.17142 
13.37406 
1 1 1 -6  10  8  o 431.4244 7.149674  39347.20       1232.951 39210.38       
2089.657 39420.27       1527.092 430.4363 11.56345 432.4126 8.411782 -1.976349 
14.29935 
1 1 1 -6  10  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  10  10 o 105.3606 2.291542  2315.013       98.01007 2397.054       
161.9288 2267.581       123.1247 106.8144 3.610899 103.9068 2.822423 2.907570 
4.583084 
1 1 1 -6  10  11 o 146.9644 2.834811  4556.052       167.8037 4477.757       
278.8252 4600.514       210.1148 145.9472 4.550479 147.9815 3.381974 -2.034271 
5.669622 
1 1 1 -6  10  12 o 178.0292 3.182366  6622.956       225.6785 6790.094       
388.1717 6537.615       277.3736 179.6745 5.145864 176.3839 3.745650 3.290634 
6.364732 
1 1 1 -6  10  13 o 219.3648 2.986011  10151.41       266.2350 9973.851       
432.8892 10259.43       337.6421 217.7755 4.734660 220.9540 3.639785 -3.178528 
5.972021 
1 1 1 -6  10  14 o 75.89966 2.081855  1184.329       64.62974 1322.100       
106.2195 1103.340       81.43982 79.32430 3.189475 72.47501 2.676514 6.849281 
4.163710 
1 1 1 -6  10  15 o 159.1722 2.138705  5260.567       133.2329 5496.442       
238.3583 5153.382       160.6776 161.7102 3.510864 156.6342 2.443374 5.076004 
4.277411 
1 1 1 -6  10  16 o 314.9345 4.021102  20909.26       477.4366 20885.23       
901.4631 20918.63       562.8606 314.5376 6.826474 315.3313 4.251624 
-0.7937012     8.042204 
1 1 1 -6  10  17 f 313.6788 3.999267  20563.40       461.7703 21137.30       
911.8735 20365.47       535.5098 316.2568 6.867772 311.1008 4.100033 5.155945 
7.998535 
1 1 1 -6  10  18 o 89.56107 2.199326  1688.137       80.81802 1679.167       
128.5617 1693.997       103.9189 89.34835 3.427254 89.77380 2.757185 
-0.4254456     4.398652 
1 1 1 -6  10  19 o 73.84553 2.242600  1155.561       66.82684 1115.624       
110.0325 1178.900       84.11775 72.80541 3.599799 74.88564 2.675532 -2.080231 
4.485201 
1 1 1 -6  10  20 o 29.25224 4.117283  188.6880       48.51312 165.1890       
76.21933 204.6914       62.89934 27.36383 6.682958 31.14066 4.811044 -3.776831 
8.234566 
1 1 1 -6  10  21 o 118.9989 2.166346  2977.084       105.0659 2992.512       
170.6324 2967.663       133.3415 119.2113 3.409299 118.7864 2.673742 0.4248886 
4.332692 
1 1 1 -6  10  22 o 119.3475 2.224831  3041.154       106.4496 2848.215       
176.3555 3151.742       133.5158 116.2755 3.612617 122.4195 2.597785 -6.143959 
4.449662 
1 1 1 -6  10  23 o 98.25017 2.172943  2057.416       83.90685 1956.671       
145.4012 2107.715       102.7397 96.37798 3.593446 100.1224 2.444152 -3.744385 
4.345887 
1 1 1 -6  10  24 o 42.40310 3.509639  387.2768       59.41569 355.8392       
98.70905 405.1389       74.40440 40.97784 5.737582 43.82836 4.043565 -2.850517 
7.019278 
1 1 1 -6  10  25 o 60.43184 2.812914  789.7791       68.83432 689.6783       
108.9373 856.3077       88.81006 57.11577 4.542988 63.74791 3.318312 -6.632145 
5.625827 
1 1 1 -6  10  26 o 119.9849 2.313922  3067.402       111.6259 2924.626       
184.6409 3149.643       140.1346 117.6769 3.737298 122.2930 2.729387 -4.616051 
4.627845 
1 1 1 -6  10  27 o 134.3396 2.833759  3821.335       154.0274 3821.011       
254.2175 3821.523       193.6112 134.1802 4.512715 134.4990 3.428724 
-0.3187256     5.667517 
1 1 1 -6  10  28 o 92.92050 2.363464  1836.102       91.26186 1743.395       
137.2473 1909.581       122.1887 90.75189 3.602212 95.08911 3.060704 -4.337219 
4.726927 
1 1 1 -6  10  29 o 48.59224 3.377120  513.0554       66.51696 469.6630       
106.4959 540.8122       85.17465 46.75291 5.425570 50.43157 4.022805 -3.678654 
6.754241 
1 1 1 -6  10  30 o 49.65118 3.702537  528.1028       76.69615 618.1104       
113.2484 451.8448       104.2402 53.58279 5.034168 45.71958 5.430679 7.863213 
7.405074 
1 1 1 -6  10  31 o 73.19052 3.011909  1142.801       90.92992 1189.182       
143.7280 1111.849       117.4144 74.28157 4.608731 72.09948 3.878917 2.182091 
6.023819 
1 1 1 -6  10  32 o 81.58514 2.708717  1426.165       91.90780 1448.153       
140.3025 1409.637       121.6405 82.01653 4.074600 81.15376 3.570184 0.8627777 
5.417433 
1 1 1 -6  10  33 f 48.90877 4.389935  536.9504       89.90601 550.5205       
132.5952 525.4025       122.3183 49.38014 6.395823 48.43740 6.014945 0.9427414 
8.779870 
1 1 1 -6  10  34 o 70.69714 4.898790  1104.234       145.4017 1104.234       
145.4017 0.000000       0.000000 70.69714 4.898790 ?        ?        ? ? 
1 1 1 -6  10  35 o 57.76416 3.909408  756.1481       94.31821 750.1099       
140.0946 761.1539       127.5573 57.32385 5.821128 58.20448 5.219995 
-0.8806305     7.818816 
1 1 1 -6  10  36 o 31.78647 5.941562  276.5006       82.66688 207.0790       
125.7669 329.3102       109.6921 27.46367 9.227839 36.10926 7.487031 -8.645596 
11.88312 
1 1 1 -6  10  37 o 44.20167 5.465111  537.0587       93.79395 358.4665       
140.1530 681.9225       126.2267 34.76738 9.383382 53.63596 5.605525 -18.86857 
10.93022 
1 1 1 -6  11  1  o 368.6049 5.135777  29005.21       702.3589 27776.94       
1346.018 29464.78       823.3359 362.8791 8.835068 374.3306 5.238933 -11.45145 
10.27155 
1 1 1 -6  11  2  o 256.1967 4.222477  13566.69       314.1814 14146.66       
851.0895 13475.19       338.0588 259.1095 7.823714 253.2838 3.179112 5.825684 
8.444954 
1 1 1 -6  11  3  o 377.8636 4.665402  29985.61       738.1349 29195.72       
1002.341 30921.51       1091.053 372.4672 6.409863 383.2602 6.780677 -10.79300 
9.330805 
1 1 1 -6  11  4  o 160.9934 1.657030  5308.358       104.8537 5077.220       
126.3048 5820.838       188.0718 155.5030 1.934650 166.4838 2.690747 -10.98080 
3.314059 
1 1 1 -6  11  5  o 517.5095 6.999655  56429.47       1515.865 55040.25       
2051.878 58098.73       2249.198 510.6144 9.571490 524.4046 10.21603 -13.79022 
13.99931 
1 1 1 -6  11  6  o 440.3631 5.188699  40800.04       822.4468 40927.94       
1669.892 40759.08       945.0109 440.4401 9.030725 440.2862 5.112377 0.1539307 
10.37740 
1 1 1 -6  11  7  o 123.2059 2.282240  3169.937       113.6541 3256.900       
189.3968 3120.998       142.0789 124.5082 3.623229 121.9037 2.776093 2.604553 
4.564480 
1 1 1 -6  11  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  11  9  f 484.2873 5.703266  48109.85       795.8613 51313.31       
2186.878 47620.81       854.4529 492.5731 10.57487 476.0015 4.275638 16.57159 
11.40653 
1 1 1 -6  11  10 o 74.89458 2.333854  1185.188       72.07157 1140.637       
111.9626 1216.710       94.17814 73.68003 3.619464 76.10913 2.947368 -2.429100 
4.667708 
1 1 1 -6  11  11 o 87.01555 2.092000  1541.264       72.27290 1739.830       
127.7746 1447.849       87.63961 91.00121 3.344401 83.02988 2.514126 7.971329 
4.183999 
1 1 1 -6  11  12 o 268.5901 4.133680  15210.21       448.9215 15093.96       
741.0341 15277.62       564.2454 267.6767 6.593996 269.5036 4.986829 -1.826935 
8.267361 
1 1 1 -6  11  13 o 220.3289 2.727576  9831.383       186.5805 10765.31       
471.6835 9658.146       203.1496 226.2091 4.966629 214.4487 2.256387 11.76035 
5.455152 
1 1 1 -6  11  14 o 308.4425 4.995696  19969.15       600.9703 20345.38       
1075.182 19798.21       724.7567 310.2649 8.254113 306.6201 5.630055 3.644745 
9.991392 
1 1 1 -6  11  15 o 155.6916 2.663055  5038.440       158.6052 5237.607       
295.2368 4957.644       188.0441 157.7793 4.456988 153.6040 2.915939 4.175323 
5.326109 
1 1 1 -6  11  16 o 274.9907 4.630122  15789.27       499.9622 16457.90       
887.9220 15478.87       604.9813 278.9417 7.581976 271.0396 5.316555 7.902161 
9.260243 
1 1 1 -6  11  17 o 276.9525 3.319733  16326.59       372.1529 15492.95       
605.3311 16833.13       471.8626 271.0750 5.318934 282.8300 3.973847 -11.75504 
6.639467 
1 1 1 -6  11  18 o 71.31723 2.034253  1031.766       59.38522 1238.617       
98.18290 912.4385       74.57224 76.74928 3.047071 65.88519 2.695941 10.86408 
4.068506 
1 1 1 -6  11  19 o 188.0343 3.227074  7403.437       243.2748 7630.141       
413.1220 7283.092       300.9975 190.1016 5.176232 185.9669 3.855212 4.134613 
6.454149 
1 1 1 -6  11  20 o 38.38856 3.225652  302.8202       51.30165 373.4012       
80.34043 254.2267       66.66209 42.06720 4.548955 34.70992 4.574529 7.357277 
6.451303 
1 1 1 -6  11  21 o 126.3657 2.491282  3328.479       128.2370 3505.116       
210.7806 3224.676       161.5814 128.9526 3.893333 123.7788 3.109325 5.173798 
4.982564 
1 1 1 -6  11  22 o 107.2607 2.254105  2393.968       97.34000 2518.442       
164.5520 2326.965       120.7286 109.3420 3.584572 105.1795 2.734009 4.162437 
4.508210 
1 1 1 -6  11  23 o 114.9883 2.195466  2777.355       103.4345 2808.078       
165.8579 2757.801       132.3171 115.4754 3.421115 114.5011 2.752498 0.9743042 
4.390931 
1 1 1 -6  11  24 o 82.10100 2.433219  1408.013       82.40600 1482.239       
130.6476 1358.972       106.1952 83.85950 3.710824 80.34250 3.148332 3.517006 
4.866437 
1 1 1 -6  11  25 o 137.2995 2.949083  3950.375       163.3100 4094.975       
273.9579 3870.667       203.4001 139.1200 4.690460 135.4790 3.576024 3.640991 
5.898166 
1 1 1 -6  11  26 o 89.20309 2.560215  1700.189       92.70776 1598.230       
149.2969 1764.177       118.2738 86.92792 4.090842 91.47828 3.079580 -4.550362 
5.120430 
1 1 1 -6  11  27 o 171.5891 3.261534  6253.421       229.2539 6251.552       
366.5529 6254.622       293.8102 171.3487 5.095383 171.8295 4.072773 
-0.4807892     6.523067 
1 1 1 -6  11  28 o 27.89022 4.534977  199.6414       57.74807 36.63358       
98.45029 285.1458       71.30289 19.18372 7.792799 36.59673 4.640727 -17.41301 
9.069954 
1 1 1 -6  11  29 o 89.16862 2.514602  1684.867       91.57485 1692.395       
147.8086 1680.177       116.6623 89.22495 3.945794 89.11230 3.118270 0.1126404 
5.029205 
1 1 1 -6  11  30 f 76.25629 3.041649  1222.027       96.46640 1415.000       
149.3186 1083.788       126.3807 81.30846 4.374206 71.20411 4.227629 10.10435 
6.083298 
1 1 1 -6  11  31 o 39.71152 4.138981  346.3172       68.76566 375.0829       
96.70314 316.8923       97.80486 41.46636 5.554765 37.95667 6.137526 3.509689 
8.277962 
1 1 1 -6  11  32 o 63.54372 3.143138  871.3060       83.07159 890.1776       
126.9141 857.1602       109.8803 64.02296 4.721665 63.06447 4.150077 0.9584923 
6.286276 
1 1 1 -6  11  33 o 93.22717 2.687959  1869.990       104.4073 1899.974       
158.1463 1846.823       139.0067 93.74593 4.018165 92.70842 3.571393 1.037514 
5.375918 
1 1 1 -6  11  34 o 48.22450 4.573931  533.4661       92.25266 524.6017       
135.5664 541.1113       125.8992 47.65410 6.775991 48.79490 6.145676 -1.140800 
9.147862 
1 1 1 -6  11  35 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  11  36 o 37.43477 5.575280  360.3035       84.55728 348.4908       
125.9103 370.0076       114.1211 36.38736 8.405061 38.48218 7.327343 -2.094818 
11.15056 
1 1 1 -6  11  37 o 40.27612 5.409712  445.4621       86.95081 291.6537       
128.7907 574.2880       117.8680 31.42760 9.186864 49.12463 5.715021 -17.69703 
10.81942 
1 1 1 -6  12  1  o 153.5961 3.012198  4887.714       178.0544 5135.087       
328.8313 4785.098       211.7890 156.2697 5.012096 150.9226 3.342491 5.347137 
6.024397 
1 1 1 -6  12  2  o 359.6919 4.182451  27551.55       618.3909 25447.56       
957.5518 29056.87       809.9388 347.6721 6.560145 371.7117 5.189997 -24.03955 
8.364902 
1 1 1 -6  12  3  o 199.0487 2.816652  8234.432       229.4846 7934.194       
291.1518 8726.904       372.8881 194.3315 3.568596 203.7659 4.358812 -9.434402 
5.633304 
1 1 1 -6  12  4  f 187.8402 1.639586  7278.954       125.3191 6910.006       
157.0269 7926.176       207.9782 181.4068 2.061775 194.2737 2.549911 -12.86684 
3.279171 
1 1 1 -6  12  5  o 302.6740 3.344316  19321.52       351.0104 19149.21       
749.6130 19369.92       397.2535 301.6797 5.918505 303.6682 3.115943 -1.988464 
6.688632 
1 1 1 -6  12  6  o 388.2513 4.650450  30452.02       518.7698 33527.63       
1441.921 29994.72       556.0004 398.6533 8.615237 377.8493 3.504916 20.80405 
9.300900 
1 1 1 -6  12  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  12  8  o 66.43615 2.202394  916.7704       60.37394 981.6280       
95.94424 874.2533       77.68193 68.35619 3.343198 64.51611 2.867959 3.840073 
4.404788 
1 1 1 -6  12  9  o 246.7535 3.601839  12666.57       337.7244 13132.96       
635.3857 12482.92       398.7105 249.7872 6.058823 243.7198 3.896619 6.067459 
7.203678 
1 1 1 -6  12  10 o 244.1272 2.632040  12182.90       197.9394 13031.82       
502.4913 12026.97       215.3513 248.9360 4.807971 239.3184 2.143347 9.617615 
5.264079 
1 1 1 -6  12  11 f 484.6154 6.374550  49486.03       1189.152 50003.16       
2173.183 49265.01       1420.720 485.7705 10.65580 483.4604 6.999529 2.310120 
12.74910 
1 1 1 -6  12  12 o 240.5642 3.504572  12260.51       343.1152 11818.14       
553.1650 12537.14       437.4331 236.9438 5.560712 244.1847 4.266918 -7.240891 
7.009145 
1 1 1 -6  12  13 o 227.5474 3.611572  10665.11       317.5056 11488.48       
585.5743 10322.24       377.8741 233.5273 5.972629 221.5676 4.062206 11.95964 
7.223144 
1 1 1 -6  12  14 o 55.45192 2.406148  637.7578       55.22502 695.6295       
87.07510 598.8154       71.42857 57.52413 3.605496 53.37971 3.187255 4.144417 
4.812296 
1 1 1 -6  12  15 o 150.8633 2.313674  4664.998       135.5394 5095.759       
248.4956 4482.571       161.7126 155.6613 3.802411 146.0653 2.637048 9.596039 
4.627348 
1 1 1 -6  12  16 o 460.8644 5.847569  43907.57       890.0186 46886.49       
2063.065 43226.38       986.5442 468.8387 10.48119 452.8902 5.188534 15.94849 
11.69514 
1 1 1 -6  12  17 o 138.8290 2.856319  4011.184       155.9744 4188.120       
276.2944 3928.422       188.9642 140.9855 4.667868 136.6724 3.293213 4.313156 
5.712638 
1 1 1 -6  12  18 o 39.69831 3.458327  318.7333       56.37692 428.0384       
90.26496 248.8235       72.18855 45.05376 4.772096 34.34285 5.006717 10.71091 
6.916655 
1 1 1 -6  12  19 o 114.1208 2.498415  2690.624       114.8509 2920.377       
195.2019 2568.977       142.0380 117.7362 3.949073 110.5054 3.061556 7.230820 
4.996829 
1 1 1 -6  12  20 o 146.7913 1.958818  4463.527       110.6718 4704.117       
204.4738 4363.843       131.6174 149.4901 3.257964 144.0925 2.175670 5.397614 
3.917636 
1 1 1 -6  12  21 o 108.1982 2.430296  2471.606       109.3476 2419.120       
165.5445 2512.231       145.6421 107.1510 3.679933 109.2454 3.175445 -2.094475 
4.860592 
1 1 1 -6  12  22 o 157.7376 3.012386  5202.223       190.0483 5400.075       
324.9309 5099.345       234.3053 159.8854 4.840647 155.5898 3.586923 4.295517 
6.024772 
1 1 1 -6  12  23 o 262.9529 4.417138  14680.49       474.4805 14628.12       
763.7770 14713.41       605.4913 262.2440 6.937165 263.6617 5.469933 -1.417633 
8.834275 
1 1 1 -6  12  24 o 36.61421 4.262414  279.7886       63.24049 340.6367       
101.0963 240.6712       81.05818 40.06141 6.010768 33.16702 6.045109 6.894390 
8.524827 
1 1 1 -6  12  25 o 125.5091 2.772742  3328.260       143.3059 3314.103       
225.5313 3337.845       185.5883 125.2136 4.290188 125.8046 3.513784 
-0.5910187     5.545484 
1 1 1 -6  12  26 o 69.39291 2.649526  1023.116       75.70681 987.6104       
118.1616 1047.840       98.60397 68.31837 4.119648 70.46745 3.332935 -2.149086 
5.299052 
1 1 1 -6  12  27 o 31.64137 4.867021  212.1510       62.49987 305.8578       
99.95404 151.9923       80.08741 37.17823 6.643296 26.10450 7.114645 11.07374 
9.734041 
1 1 1 -6  12  28 o 30.75162 4.992535  208.0764       61.98744 238.8165       
99.61100 188.6491       79.18857 32.50924 7.453477 28.99401 6.644342 3.515230 
9.985069 
1 1 1 -6  12  29 o 45.23710 3.848979  441.4090       72.68437 386.3377       
102.3164 497.5145       103.2727 42.31535 5.759284 48.15884 5.107760 -5.843491 
7.697958 
1 1 1 -6  12  30 o 29.57800 5.555859  206.3378       72.53165 137.2652       
107.7972 263.4784       98.04533 25.18902 8.543203 33.96699 7.105205 -8.777973 
11.11172 
1 1 1 -6  12  31 o 22.00630 5.687765  90.72163       71.31274 37.00422       
104.7117 137.1885       97.38889 19.28093 7.966400 24.73167 8.120292 -5.450743 
11.37553 
1 1 1 -6  12  32 o 63.06263 3.054637  854.3392       80.63942 940.2963       
119.2465 781.9077       109.4633 65.97478 4.305152 60.15047 4.334615 5.824310 
6.109274 
1 1 1 -6  12  33 o 22.30471 5.628751  89.38297       69.46607 177.9736       
108.3541 27.56189       90.51483 27.09082 8.541943 17.51860 7.332570 9.572224 
11.25750 
1 1 1 -6  12  34 o 80.56795 2.861292  1406.625       96.00457 1452.124       
146.1916 1372.125       127.3019 81.55007 4.269915 79.58582 3.809959 1.964256 
5.722584 
1 1 1 -6  12  35 o 44.18006 4.665177  461.2491       81.00343 451.3627       
132.4750 467.1528       102.3709 42.84678 7.638922 45.51333 5.357461 -2.666550 
9.330355 
1 1 1 -6  12  36 o 60.16613 5.319386  827.7641       134.3670 0.000000       
0.000000 827.7641       134.3670 ?        ?        60.16613 5.319386 ? ? 
1 1 1 -6  12  37 o 32.17262 5.815398  300.1383       84.97839 175.0331       
125.6299 405.6597       115.3786 24.67802 9.139928 39.66721 7.192854 -14.98919 
11.63080 
1 1 1 -6  13  1  o 143.7994 2.928362  4254.103       156.2580 4544.663       
307.6967 4153.129       181.3882 146.9938 4.985915 140.6050 3.072764 6.388779 
5.856725 
1 1 1 -6  13  2  o 106.5785 1.979822  2413.193       87.54911 2137.127       
129.0906 2648.317       119.1342 100.8638 3.048458 112.2933 2.526992 -11.42946 
3.959644 
1 1 1 -6  13  3  o 405.2919 3.468679  34656.65       578.3845 33967.47       
909.2006 35125.14       749.6216 401.8202 5.389507 408.7635 4.368084 -6.943390 
6.937359 
1 1 1 -6  13  4  f 103.7982 2.270572  2264.052       91.70267 2261.691       
164.0620 2265.125       110.5917 103.7438 3.766752 103.8526 2.536450 
-0.1087952     4.541145 
1 1 1 -6  13  5  o 81.41443 2.140088  1408.462       72.07578 1280.514       
108.7000 1508.856       96.28637 78.07088 3.316357 84.75797 2.705860 -6.687080 
4.280176 
1 1 1 -6  13  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  13  7  o 95.47803 2.043551  1898.262       79.25448 1979.490       
130.9472 1851.306       99.56052 97.06862 3.213205 93.88745 2.525810 3.181168 
4.087102 
1 1 1 -6  13  8  o 190.2609 2.536780  7610.851       189.2223 7594.900       
333.6986 7618.411       229.7261 190.0789 4.181591 190.4429 2.873205 
-0.3639984     5.073560 
1 1 1 -6  13  9  o 244.8489 3.193740  12506.55       299.6285 12849.68       
554.6128 12365.13       356.0623 247.1185 5.345715 242.5793 3.496176 4.539124 
6.387481 
1 1 1 -6  13  10 o 56.00508 2.602837  650.8981       60.63877 719.3397       
93.76973 601.7037       79.49878 58.50109 3.817858 53.50908 3.538784 4.992008 
5.205673 
1 1 1 -6  13  11 o 154.5984 2.605515  5015.356       161.2582 5050.958       
273.2616 4996.334       199.7468 154.9891 4.199508 154.2078 3.085280 0.7813416 
5.211029 
1 1 1 -6  13  12 f 285.4781 5.155035  17100.57       579.5698 17491.61       
1018.950 16913.55       704.6597 287.6134 8.438489 283.3429 5.923633 4.270477 
10.31007 
1 1 1 -6  13  13 o 91.57397 2.099538  1790.156       78.44137 1632.712       
123.5982 1896.340       101.5026 88.13673 3.340229 95.01122 2.544624 -6.874489 
4.199076 
1 1 1 -6  13  14 f 273.3475 3.555950  15401.77       351.7349 16395.71       
718.9055 15088.96       403.3030 278.8081 6.141685 267.8870 3.585922 10.92108 
7.111901 
1 1 1 -6  13  15 o 89.13562 1.995808  1664.194       73.14909 1696.876       
116.3356 1642.824       94.07203 89.84709 3.084108 88.42414 2.534024 1.422951 
3.991616 
1 1 1 -6  13  16 o 171.8887 3.312131  6248.833       232.3600 6119.410       
373.4294 6330.600       296.8195 170.3556 5.221234 173.4218 4.076710 -3.066223 
6.624262 
1 1 1 -6  13  17 o 119.3610 1.928907  3015.284       94.45057 2895.704       
148.8960 3095.800       122.1784 117.3481 3.022232 121.3738 2.397676 -4.025673 
3.857815 
1 1 1 -6  13  18 o 64.86195 2.283293  864.2659       61.09644 996.4709       
98.08669 780.4558       78.09690 68.81139 3.395243 60.91253 3.053854 7.898861 
4.566585 
1 1 1 -6  13  19 o 148.3838 2.065432  4609.778       121.1710 4696.829       
211.2793 4567.112       147.9142 149.3708 3.369087 147.3968 2.390248 1.973999 
4.130864 
1 1 1 -6  13  20 o 147.6400 2.902581  4561.438       173.2331 4725.767       
289.0742 4469.354       216.3932 149.6127 4.602161 145.6673 3.538363 3.945404 
5.805162 
1 1 1 -6  13  21 o 176.9963 2.505646  6542.078       165.3779 6722.533       
320.0685 6476.354       193.1603 178.5102 4.270718 175.4824 2.621836 3.027832 
5.011292 
1 1 1 -6  13  22 o 179.1545 3.375470  6791.512       243.5758 6734.224       
405.4510 6823.864       304.6850 178.4058 5.413156 179.9033 4.033972 -1.497543 
6.750939 
1 1 1 -6  13  23 o 64.90573 2.717278  883.2138       72.86322 914.5242       
114.5505 861.9371       94.42845 65.84464 4.143788 63.96683 3.516164 1.877804 
5.434555 
1 1 1 -6  13  24 o 280.0948 5.256312  16728.66       588.7529 16879.33       
998.9016 16648.45       728.7979 280.3103 8.487988 279.8793 6.202366 0.4309998 
10.51262 
1 1 1 -6  13  25 o 57.67202 3.026551  706.0283       71.74953 689.7267       
112.9380 717.0604       92.90785 57.06683 4.713870 58.27722 3.797298 -1.210388 
6.053102 
1 1 1 -6  13  26 o 57.32262 2.819246  695.3558       65.61337 694.5979       
107.3747 695.8074       82.88941 57.24030 4.468083 57.40494 3.439306 
-0.1646461     5.638492 
1 1 1 -6  13  27 o 174.6958 2.557259  6485.125       181.8294 6332.987       
293.9901 6579.375       231.3957 172.8589 4.050999 176.5327 3.122132 -3.673798 
5.114519 
1 1 1 -6  13  28 o 75.34903 2.632912  1199.137       80.50507 1220.458       
132.5038 1186.662       101.3576 75.78626 4.164464 74.91180 3.222753 0.8744583 
5.265823 
1 1 1 -6  13  29 o 116.3812 3.142619  2901.118       151.6340 2833.157       
231.9524 2951.837       200.3808 115.0214 4.803318 117.7409 4.053683 -2.719521 
6.285238 
1 1 1 -6  13  30 o 69.26457 3.014656  1034.321       87.00128 933.0089       
126.5417 1125.141       119.8108 65.92416 4.572040 72.60499 3.930527 -6.680832 
6.029311 
1 1 1 -6  13  31 o 71.59346 2.889756  1084.317       84.74493 1169.429       
137.7660 1032.507       107.4870 73.67614 4.453856 69.51078 3.683197 4.165359 
5.779513 
1 1 1 -6  13  32 o 33.51441 5.443906  271.3390       75.31114 219.2117       
111.3477 315.2923       102.2456 30.11515 8.459598 36.91368 6.854172 -6.798534 
10.88781 
1 1 1 -6  13  33 o 28.14532 5.666748  195.0198       70.71006 164.5843       
108.3979 217.5635       93.29190 26.19032 8.566972 30.10032 7.419915 -3.910007 
11.33350 
1 1 1 -6  13  34 o 52.50307 3.762181  628.4695       79.85036 554.4009       
126.3753 677.6916       103.0208 49.38324 6.095422 55.62290 4.411561 -6.239662 
7.524363 
1 1 1 -6  13  35 o 26.23034 5.622340  166.6171       70.33494 243.6282       
103.8387 101.3311       95.60763 31.03856 7.936838 21.42211 7.965514 9.616446 
11.24468 
1 1 1 -6  13  36 o 47.71037 4.009847  517.0953       79.32488 591.5248       
124.6883 466.4894       102.8142 50.35870 5.897560 45.06205 5.434546 5.296658 
8.019694 
1 1 1 -6  13  37 f 24.70928 6.785617  178.7316       99.18122 140.8051       
190.1332 192.9098       116.2509 23.60939 10.27199 25.80916 8.869303 -2.199766 
13.57123 
1 1 1 -6  14  1  o 161.0636 2.571319  5462.010       167.7480 5415.687       
275.7284 5489.230       211.3641 160.4936 4.092086 161.6336 3.114732 -1.139984 
5.142638 
1 1 1 -6  14  2  o 107.9835 3.126689  2302.781       102.5744 2673.833       
269.9887 2240.188       110.8889 112.6936 5.706468 103.2734 2.557531 9.420227 
6.253378 
1 1 1 -6  14  3  o 163.8623 3.079202  5571.441       166.9632 5767.727       
383.8810 5525.647       185.4195 165.5347 5.523681 162.1899 2.723031 3.344803 
6.158405 
1 1 1 -6  14  4  o 17.79535 4.979299  41.03030       52.13794 -70.93131      
120.0725 67.04549       57.87918 17.06462 7.745024 18.52607 6.260054 -1.461451 
9.958598 
1 1 1 -6  14  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  14  6  o 172.6073 2.513405  6057.405       153.5139 6642.151       
326.5328 5891.491       173.9346 177.7314 4.376065 167.4832 2.473637 10.24820 
5.026811 
1 1 1 -6  14  7  o 190.8634 2.772784  7652.616       200.2023 7669.118       
376.3598 7646.104       236.4279 190.9499 4.694669 190.7770 2.951847 0.1728973 
5.545567 
1 1 1 -6  14  8  o 153.3075 1.958820  4891.561       116.5964 5056.854       
211.1743 4819.072       139.8448 155.1333 3.242330 151.4817 2.198909 3.651520 
3.917640 
1 1 1 -6  14  9  o 302.9881 3.581288  19001.93       364.6618 19850.11       
823.1042 18794.80       406.7591 306.9050 6.388103 299.0712 3.239542 7.833801 
7.162576 
1 1 1 -6  14  10 o 130.3754 2.457123  3492.853       124.7972 3784.766       
227.0514 3366.487       149.3863 134.1638 4.030974 126.5870 2.810883 7.576813 
4.914246 
1 1 1 -6  14  11 o 207.4137 3.255633  9077.394       265.8704 8977.073       
463.9076 9126.461       324.4388 206.4738 5.351648 208.3535 3.708967 -1.879700 
6.511265 
1 1 1 -6  14  12 o 365.4711 4.984501  28241.32       716.9459 28093.49       
1253.345 28313.21       874.0734 364.3844 8.192791 366.5577 5.679716 -2.173370 
9.969002 
1 1 1 -6  14  13 o 190.5079 2.537154  7675.089       194.7716 7473.649       
322.4890 7790.764       244.3773 188.4824 4.075353 192.5334 3.023262 -4.051041 
5.074309 
1 1 1 -6  14  14 o 417.9150 6.207813  36967.52       1025.194 37392.79       
1784.448 36757.99       1252.539 418.9251 10.14585 416.9049 7.156081 2.020142 
12.41563 
1 1 1 -6  14  15 o 64.63113 2.501518  881.4848       66.74940 862.7610       
103.7459 894.7103       87.19305 64.03101 3.859239 65.23124 3.183811 -1.200226 
5.003036 
1 1 1 -6  14  16 o 277.2205 3.266555  15816.97       283.5241 16772.91       
703.3686 15631.51       309.8087 281.7442 5.946331 272.6969 2.706042 9.047333 
6.533109 
1 1 1 -6  14  17 o 40.44765 3.390931  341.6006       56.90302 367.1666       
88.72055 323.7343       74.16697 41.70884 5.066606 39.18645 4.508121 2.522388 
6.781862 
1 1 1 -6  14  18 o 18.27257 4.977718  40.80951       53.82619 73.35107       
84.37129 18.47459       69.89845 20.58288 7.507060 15.96226 6.538713 4.620623 
9.955437 
1 1 1 -6  14  19 o 196.9899 3.636834  8216.513       291.0245 8147.775       
474.7827 8257.884       368.3336 196.1534 5.765275 197.8263 4.434843 -1.672928 
7.273667 
1 1 1 -6  14  20 f 158.2527 2.462766  5326.365       152.1125 5132.853       
268.0086 5418.324       184.7531 156.0114 4.091793 160.4941 2.741915 -4.482712 
4.925532 
1 1 1 -6  14  21 o 141.3931 2.593174  4231.746       148.7592 4133.389       
242.5332 4291.064       188.3489 140.0019 4.126276 142.7844 3.141980 -2.782501 
5.186347 
1 1 1 -6  14  22 o 64.52754 2.441601  869.3297       64.58523 911.2944       
104.2556 843.1957       82.27364 65.75976 3.776247 63.29532 3.096066 2.464439 
4.883202 
1 1 1 -6  14  23 o 69.84532 2.560428  997.1788       73.23234 1166.281       
120.6586 898.5553       92.14524 74.37393 3.864192 65.31670 3.360235 9.057228 
5.120856 
1 1 1 -6  14  24 o 91.35394 2.491088  1747.291       92.58997 1808.521       
152.0614 1711.214       116.7226 92.57074 3.912607 90.13715 3.084411 2.433586 
4.982177 
1 1 1 -6  14  25 o 143.2846 2.537763  4385.955       144.8003 4164.296       
244.2168 4506.125       179.8172 140.3267 4.145304 146.2426 2.928723 -5.915955 
5.075526 
1 1 1 -6  14  26 o 218.1149 3.075317  10117.91       270.7208 9966.764       
447.6441 10205.07       339.9298 216.5241 4.924336 219.7056 3.685269 -3.181488 
6.150634 
1 1 1 -6  14  27 o 86.27118 2.280613  1578.125       81.36694 1537.967       
125.5771 1607.185       106.8245 85.27135 3.507748 87.27101 2.915560 -1.999657 
4.561226 
1 1 1 -6  14  28 o 40.32547 4.423920  363.4536       68.19637 334.0117       
116.3166 378.8753       84.18324 38.51919 7.458817 42.13174 4.759236 -3.612549 
8.847840 
1 1 1 -6  14  29 o 81.31341 3.040763  1413.815       103.3576 1383.982       
152.4854 1439.172       140.5789 80.44930 4.514681 82.17751 4.074630 -1.728210 
6.081525 
1 1 1 -6  14  30 o 68.45816 3.112889  1003.812       88.86638 1018.735       
134.0387 992.1069       118.7057 68.83052 4.638421 68.08581 4.152752 0.7447128 
6.225777 
1 1 1 -6  14  31 o 87.73438 2.774988  1634.908       99.27655 1713.309       
162.4009 1588.130       125.4451 89.19724 4.336687 86.27152 3.463436 2.925720 
5.549976 
1 1 1 -6  14  32 o 49.37199 3.944356  536.8425       81.59536 554.0412       
119.9082 522.0105       111.3527 50.05111 5.706322 48.69288 5.446987 1.358234 
7.888712 
1 1 1 -6  14  33 o 48.80772 3.990744  548.2392       78.66219 424.3698       
118.1323 646.9159       105.4372 43.21712 6.510791 54.39830 4.616680 -11.18118 
7.981487 
1 1 1 -6  14  34 o 18.60580 5.487435  40.12413       71.50932 15.87511       
109.7235 58.02845       94.28258 18.10773 7.839579 19.10388 7.680415 
-0.9961452     10.97487 
1 1 1 -6  14  35 f 32.10508 5.360615  266.5684       74.53474 173.0941       
113.8789 336.6197       98.58382 26.03798 8.780890 38.17218 6.151482 -12.13420 
10.72123 
1 1 1 -6  14  36 o 40.87812 4.743876  394.3834       78.67804 488.7364       
123.5250 329.9752       102.0582 45.22492 6.505764 36.53132 6.905975 8.693600 
9.487753 
1 1 1 -6  14  37 o 22.72237 5.875421  136.7586       73.34079 169.6049       
109.4817 110.0193       98.78088 24.47931 8.588298 20.96542 8.020188 3.513895 
11.75084 
1 1 1 -6  15  1  o 101.7000 2.915261  2143.229       108.6683 2241.671       
217.0026 2110.281       125.5437 103.1878 5.009078 100.2122 2.983977 2.975548 
5.830521 
1 1 1 -6  15  2  o 226.5847 6.431682  10169.13       249.7723 11682.80       
1233.356 10104.40       255.0573 233.8660 12.56153 219.3033 2.770215 14.56261 
12.86336 
1 1 1 -6  15  3  o 57.49722 4.202790  695.2971       101.4527 0.000000       
0.000000 695.2971       101.4527 ?        ?        57.49722 4.202790 ? ? 
1 1 1 -6  15  4  o 65.94572 5.356890  915.6680       148.3127 915.6680       
148.3127 0.000000       0.000000 65.94572 5.356890 ?        ?        ? ? 
1 1 1 -6  15  5  o 379.7444 6.648989  30186.48       988.2033 31563.96       
1766.609 29559.17       1192.169 385.3662 10.91913 374.1227 7.590053 11.24356 
13.29798 
1 1 1 -6  15  6  o 72.55243 2.196790  1121.599       65.81745 1000.675       
99.17525 1216.776       87.98594 69.00085 3.423497 76.10401 2.753764 -7.103165 
4.393581 
1 1 1 -6  15  7  o 304.4944 5.099966  19538.63       603.6276 19657.39       
1083.157 19485.13       726.9812 304.8471 8.463116 304.1417 5.693355 0.7054138 
10.19993 
1 1 1 -6  15  8  o 222.5176 2.831468  10197.98       226.6189 10829.14       
467.1813 10003.78       259.1496 226.8292 4.905775 218.2060 2.828818 8.623199 
5.662935 
1 1 1 -6  15  9  o 202.3784 2.993916  8623.004       242.6868 8589.178       
409.6402 8641.298       301.2441 202.0099 4.830044 202.7469 3.539041 
-0.7369995     5.987832 
1 1 1 -6  15  10 o 123.6525 2.030593  3221.439       103.0173 3171.692       
163.4642 3254.215       132.6820 122.8451 3.169465 124.4599 2.539238 -1.614876 
4.061187 
1 1 1 -6  15  11 o 65.40764 2.164090  897.1450       57.89288 907.9645       
93.31252 890.3741       73.81750 65.71880 3.381982 65.09647 2.700990 0.6223297 
4.328181 
1 1 1 -6  15  12 o 242.1099 3.302090  12401.41       308.9600 12190.03       
557.1121 12495.29       371.2862 240.4671 5.518335 243.7528 3.628108 -3.285751 
6.604180 
1 1 1 -6  15  13 o 50.92430 2.699822  531.7616       56.89165 631.0731       
90.27436 466.3330       73.27374 54.76517 3.926278 47.08344 3.706818 7.681732 
5.399645 
1 1 1 -6  15  14 o 115.6157 2.078174  2812.611       99.34145 2795.467       
154.2948 2824.749       129.8312 115.2996 3.187460 115.9318 2.667457 
-0.6322784     4.156348 
1 1 1 -6  15  15 o 139.1376 2.870038  4024.634       159.6118 4244.427       
274.3033 3912.120       196.2582 141.9112 4.604002 136.3640 3.428066 5.547180 
5.740076 
1 1 1 -6  15  16 o 253.3415 3.272724  13301.04       282.0564 13934.86       
626.4682 13139.89       315.8840 256.7318 5.812200 249.9513 3.010187 6.780487 
6.545448 
1 1 1 -6  15  17 o 115.6324 2.518829  2803.155       119.4039 2870.505       
191.7220 2760.478       152.6155 116.7265 3.912222 114.5383 3.173723 2.188240 
5.037658 
1 1 1 -6  15  18 o 170.3380 2.523021  6129.605       173.8605 6040.191       
286.1075 6181.954       218.9168 169.2735 4.025885 171.4025 3.042167 -2.129044 
5.046041 
1 1 1 -6  15  19 f 159.5609 2.326859  5303.691       147.8486 5537.808       
255.5122 5185.848       181.2791 162.1089 3.754272 157.0130 2.750004 5.095901 
4.653717 
1 1 1 -6  15  20 o 152.9727 2.755001  4897.883       166.8631 5036.194       
290.6964 4829.917       203.7781 154.4704 4.482450 151.4749 3.204334 2.995453 
5.510001 
1 1 1 -6  15  21 f 114.6947 2.271044  2801.079       106.1490 2629.350       
169.2456 2912.436       136.2864 111.7216 3.608289 117.6678 2.758772 -5.946182 
4.542089 
1 1 1 -6  15  22 o 103.6834 2.500743  2287.244       106.5051 2147.440       
166.1175 2384.825       138.7831 100.9245 3.920485 106.4422 3.105587 -5.517677 
5.001487 
1 1 1 -6  15  23 o 109.6975 2.257774  2541.018       102.7078 2489.029       
157.2247 2579.720       135.6526 108.6871 3.445591 110.7079 2.918573 -2.020775 
4.515547 
1 1 1 -6  15  24 o 143.0889 2.030995  4234.137       114.3212 4531.729       
203.5998 4097.110       138.1564 146.6211 3.307517 139.5567 2.357986 7.064346 
4.061991 
1 1 1 -6  15  25 o 109.2120 2.302768  2525.623       104.5468 2444.335       
157.9542 2588.997       139.4683 107.6010 3.496518 110.8230 2.997553 -3.221916 
4.605536 
1 1 1 -6  15  26 o 75.11671 2.780180  1205.447       86.23687 1128.406       
132.1137 1262.642       113.8327 72.94127 4.314153 77.29215 3.507944 -4.350883 
5.560359 
1 1 1 -6  15  27 o 27.21896 5.299826  155.4932       62.87434 229.4272       
100.3086 107.6470       80.69370 31.84998 7.597190 22.58794 7.391571 9.262033 
10.59965 
1 1 1 -6  15  28 o 62.02658 3.164997  805.5328       81.06386 900.7115       
129.2897 743.8782       104.0582 64.93191 4.742713 59.12125 4.192313 5.810654 
6.329994 
1 1 1 -6  15  29 o 56.46871 3.628906  664.0770       83.40306 777.4467       
139.8169 601.4529       103.9160 59.96748 5.553476 52.96994 4.672765 6.997547 
7.257812 
1 1 1 -6  15  30 o 25.82600 5.330960  117.2356       73.92661 285.9239       
111.2012 -16.36278      98.96185 35.06316 7.760325 16.58885 7.311217 18.47431 
10.66192 
1 1 1 -6  15  31 o 68.47552 3.020547  1000.042       85.05505 1058.904       
136.1939 962.4061       108.9035 69.95556 4.637206 66.99548 3.871840 2.960083 
6.041094 
1 1 1 -6  15  32 o 22.76560 5.829779  107.3667       73.62457 64.14772       
107.5867 145.4329       100.9697 20.50555 8.220806 25.02565 8.268229 -4.520100 
11.65956 
1 1 1 -6  15  33 o 24.48646 5.756013  141.5222       69.11671 143.3254       
95.04592 139.4984       100.6896 24.58243 8.022018 24.39048 8.256752 0.1919518 
11.51203 
1 1 1 -6  15  34 o 51.15173 3.806545  578.2162       80.36369 630.9067       
127.7800 543.7368       103.3659 52.81657 5.762536 49.48690 4.975173 3.329662 
7.613091 
1 1 1 -6  15  35 o 37.44896 5.087942  338.2391       76.61905 390.2710       
116.6516 298.7603       101.6104 39.99011 7.211488 34.90781 7.179350 5.082298 
10.17588 
1 1 1 -6  15  36 o 54.31269 3.474958  669.5920       79.23260 679.0364       
112.7007 660.3622       111.4140 54.69677 4.907792 53.92862 4.920866 0.7681580 
6.949916 
1 1 1 -6  15  37 o 30.58912 5.932839  264.1718       78.09696 265.8470       
118.8638 262.8994       103.5954 30.21448 8.823617 30.96377 7.933354 
-0.7492962     11.86568 
1 1 1 -6  16  1  o 124.9766 4.531932  3288.632       237.7885 0.000000       
0.000000 3288.632       237.7885 ?        ?        124.9766 4.531932 ? ? 
1 1 1 -6  16  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  16  3  o 124.6415 6.671080  3280.707       349.0901 3280.707       
349.0901 0.000000       0.000000 124.6415 6.671080 ?        ?        ? ? 
1 1 1 -6  16  4  o 176.1322 3.127337  6530.554       220.4254 6523.293       
373.0405 6534.449       273.2253 175.9887 5.048847 176.2757 3.691896 
-0.2870026     6.254674 
1 1 1 -6  16  5  o 18.46995 4.624679  59.12891       45.04759 82.72067       
68.20022 40.87007       59.99876 20.38147 6.795318 16.55844 6.274892 3.823032 
9.249358 
1 1 1 -6  16  6  o 205.7544 2.890276  8874.990       232.7396 8991.598       
413.2932 8820.839       281.6425 206.6615 4.763431 204.8474 3.274831 1.814117 
5.780553 
1 1 1 -6  16  7  o 235.4153 2.610137  11348.92       198.8360 12138.61       
474.3394 11180.58       219.0062 240.1226 4.705190 230.7081 2.261074 9.414566 
5.220275 
1 1 1 -6  16  8  o 325.0555 5.249016  22364.86       686.2877 22268.77       
1147.036 22418.44       856.5085 324.1673 8.428087 325.9438 6.259074 -1.776459 
10.49803 
1 1 1 -6  16  9  o 24.39907 4.469627  135.0209       47.56518 83.36404       
73.73926 171.8303       62.24635 20.71983 7.065880 28.07832 5.475729 -7.358488 
8.939254 
1 1 1 -6  16  10 o 232.4380 2.790468  11134.83       226.2239 11786.74       
486.9734 10955.42       255.4625 236.5446 4.903579 228.3314 2.664910 8.213242 
5.580935 
1 1 1 -6  16  11 o 113.4080 1.923276  2701.515       89.64598 2709.794       
142.1999 2696.053       115.4856 113.5390 2.983152 113.2770 2.428326 0.2619629 
3.846552 
1 1 1 -6  16  12 o 161.2410 2.200583  5427.693       136.6708 5563.610       
250.5432 5370.115       163.0698 162.6171 3.669759 159.8650 2.429636 2.752045 
4.401166 
1 1 1 -6  16  13 o 277.7749 5.073215  16097.74       547.6686 17009.92       
994.2996 15700.46       656.1801 282.8742 8.372304 272.6756 5.731890 10.19861 
10.14643 
1 1 1 -6  16  14 o 167.7774 2.503469  5834.453       158.6377 6128.027       
302.3909 5722.975       186.3384 170.5578 4.222973 164.9970 2.689970 5.560791 
5.006939 
1 1 1 -6  16  15 o 127.5505 2.388141  3386.176       123.1948 3561.407       
206.0665 3288.710       153.6831 130.0510 3.774112 125.0499 2.927277 5.001076 
4.776282 
1 1 1 -6  16  16 o 42.22546 3.316968  362.3535       57.21787 508.1740       
90.16755 264.0484       74.03364 49.08957 4.375041 35.36134 4.986795 13.72824 
6.633936 
1 1 1 -6  16  17 o 191.2036 2.773204  7634.635       202.1945 7873.331       
377.5764 7538.664       239.4163 193.1240 4.656823 189.2831 3.012748 3.840866 
5.546409 
1 1 1 -6  16  18 o 219.2674 3.330075  10159.62       283.1759 10137.79       
509.1578 10169.40       340.7359 218.8426 5.541682 219.6922 3.694234 
-0.8495789     6.660151 
1 1 1 -6  16  19 o 167.7626 2.539616  5965.855       174.1428 5761.717       
277.7256 6098.116       223.5483 165.3118 4.001596 170.2134 3.128231 -4.901596 
5.079232 
1 1 1 -6  16  20 o 82.05685 2.169876  1424.557       73.19705 1378.726       
114.9279 1455.836       94.94393 80.91818 3.382988 83.19553 2.718243 -2.277351 
4.339753 
1 1 1 -6  16  21 o 21.65431 5.343991  89.13557       59.01864 86.72009       
93.81812 90.71750       75.92340 21.99011 7.926380 21.31851 7.169762 0.6715984 
10.68798 
1 1 1 -6  16  22 o 238.4620 3.146521  11862.61       271.2747 12294.14       
551.3689 11724.79       311.5973 240.9375 5.450783 235.9864 3.145051 4.951126 
6.293042 
1 1 1 -6  16  23 f 243.5475 4.493726  12612.60       437.5418 12677.83       
742.3331 12577.88       541.6255 243.5094 7.261129 243.5856 5.296252 
-0.7617188E-01 8.987452 
1 1 1 -6  16  24 o 43.06244 4.061493  419.9225       67.37411 320.5351       
106.0080 487.2736       87.26603 38.13605 6.871832 47.98883 4.331378 -9.852776 
8.122987 
1 1 1 -6  16  25 o 58.44729 2.765153  735.0608       66.50258 644.5558       
100.6816 805.1086       88.57502 55.14751 4.348557 61.74707 3.416772 -6.599564 
5.530305 
1 1 1 -6  16  26 f 144.4568 2.810785  4472.185       166.1436 4177.868       
261.4688 4671.492       215.1663 140.2588 4.440286 148.6548 3.447596 -8.396027 
5.621571 
1 1 1 -6  16  27 o 22.18557 4.774497  89.10701       67.18156 -171.3123      
122.4490 201.2560       80.35566 14.41599 6.930624 29.95515 6.568846 -15.53916 
9.548994 
1 1 1 -6  16  28 o 90.40578 2.760938  1672.375       98.62260 1931.136       
176.6972 1555.290       118.8591 95.13022 4.424175 85.68134 3.304207 9.448875 
5.521875 
1 1 1 -6  16  29 o 54.08004 3.829871  612.6008       82.72470 697.8151       
144.3945 570.9661       100.9306 56.58389 6.078256 51.57618 4.661166 5.007713 
7.659743 
1 1 1 -6  16  30 f 110.9917 2.764180  2637.633       128.5506 2597.618       
186.9265 2673.539       177.0698 110.1197 4.043215 111.8638 3.770303 -1.744034 
5.528361 
1 1 1 -6  16  31 o 82.07326 2.670454  1435.772       90.87848 1497.429       
141.1876 1392.157       118.7486 83.44971 4.029886 80.69681 3.505041 2.752899 
5.340908 
1 1 1 -6  16  32 o 22.53814 5.901530  102.3199       74.39618 129.6599       
110.5225 79.66843       100.6003 24.16927 8.613910 20.90700 8.069250 3.262272 
11.80306 
1 1 1 -6  16  33 o 61.21603 3.267792  821.8076       83.87698 831.1856       
116.1830 811.5993       121.2170 61.65432 4.488490 60.77774 4.750507 0.8765831 
6.535584 
1 1 1 -6  16  34 o 40.06649 4.780889  379.1952       78.02651 361.1933       
115.4070 394.3527       105.8976 38.59076 7.386529 41.54222 6.071800 -2.951458 
9.561777 
1 1 1 -6  16  35 o 25.80982 5.999244  167.9842       74.64670 198.8071       
114.5173 145.2121       98.43195 27.50095 8.793086 24.11869 8.163660 3.382263 
11.99849 
1 1 1 -6  16  36 o 22.53040 5.603596  129.5906       66.45229 107.1312       
98.51311 148.3428       90.01611 21.22008 8.040765 23.84072 7.806871 -2.620646 
11.20719 
1 1 1 -6  16  37 o 49.68327 4.129096  585.8978       85.28559 649.8240       
132.1666 540.2869       111.6393 51.69944 6.089155 47.66710 5.578525 4.032345 
8.258192 
1 1 1 -6  17  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  17  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  17  3  o 180.8311 4.993097  6871.070       345.0686 7047.455       
640.6958 6799.000       409.5422 182.1434 8.378367 179.5188 5.433878 2.624695 
9.986194 
1 1 1 -6  17  4  o 224.2079 3.370853  10231.21       274.7817 11318.29       
562.5885 9890.632       314.8977 231.5652 5.786802 216.8507 3.458834 14.71452 
6.741707 
1 1 1 -6  17  5  o 174.5300 2.789669  6362.826       196.4619 6580.737       
329.1452 6242.222       244.8652 176.7765 4.434904 172.2835 3.385357 4.492935 
5.579338 
1 1 1 -6  17  6  o 185.1435 2.790014  7117.556       194.2513 7429.617       
372.3618 7000.877       227.6885 187.7947 4.722837 182.4922 2.971787 5.302444 
5.580028 
1 1 1 -6  17  7  o 28.10234 4.204740  168.0331       47.23099 200.7269       
75.91277 147.3841       60.32990 30.28323 6.184690 25.92145 5.698153 4.361774 
8.409480 
1 1 1 -6  17  8  f 256.5052 4.064002  13822.86       423.6203 14139.53       
695.8574 13636.40       533.9684 258.6599 6.407850 254.3506 5.000391 4.309280 
8.128004 
1 1 1 -6  17  9  f 104.2818 2.213129  2278.892       95.12003 2326.563       
150.2391 2246.999       122.8861 105.1731 3.402509 103.3905 2.831024 1.782654 
4.426259 
1 1 1 -6  17  10 o 262.2025 3.018885  14544.80       308.9088 14297.58       
547.2204 14660.43       374.2401 260.4013 5.005417 264.0037 3.376459 -3.602386 
6.037771 
1 1 1 -6  17  11 o 137.4487 2.289533  3840.005       121.8376 4317.234       
225.9372 3644.326       144.6757 143.2212 3.757521 131.6761 2.617035 11.54510 
4.579065 
1 1 1 -6  17  12 o 128.5954 2.227645  3505.006       119.2921 3191.505       
174.9977 3777.144       163.0449 123.1629 3.384336 134.0280 2.897563 -10.86509 
4.455290 
1 1 1 -6  17  13 f 64.55661 2.344110  873.1274       61.98648 893.8867       
99.76001 860.0722       79.11198 65.16312 3.646496 63.95011 2.946606 1.213009 
4.688221 
1 1 1 -6  17  14 o 124.6158 2.254129  3288.223       113.8130 3186.612       
185.7918 3349.257       143.9931 123.0253 3.597105 126.2063 2.717577 -3.180984 
4.508258 
1 1 1 -6  17  15 o 77.61468 2.023703  1269.672       65.43535 1245.695       
98.35586 1288.712       87.64640 76.94561 3.044651 78.28374 2.666758 -1.338135 
4.047406 
1 1 1 -6  17  16 o 148.5094 2.688890  4631.708       160.4285 4701.408       
270.2230 4593.770       199.3658 149.2888 4.311380 147.7301 3.214422 1.558685 
5.377779 
1 1 1 -6  17  17 o 126.7756 2.293772  3370.093       117.4319 3432.527       
195.6685 3334.945       146.8115 127.6410 3.651336 125.9103 2.777282 1.730736 
4.587543 
1 1 1 -6  17  18 f 135.8049 2.734907  3896.609       151.5538 3847.348       
244.2280 3927.457       193.2658 135.0387 4.307827 136.5710 3.370682 -1.532242 
5.469814 
1 1 1 -6  17  19 o 137.4089 2.836367  3927.542       154.1408 4138.165       
270.6574 3826.438       187.5219 140.0048 4.604666 134.8130 3.313151 5.191788 
5.672735 
1 1 1 -6  17  20 o 90.39104 2.454575  1748.286       91.35406 1550.455       
138.6962 1899.878       121.4108 85.76791 3.851774 95.01417 3.043616 -9.246254 
4.909151 
1 1 1 -6  17  21 o 334.1910 4.113456  23296.27       449.3908 24287.14       
1049.468 23073.79       497.2896 337.4594 7.407451 330.9225 3.579350 6.536835 
8.226912 
1 1 1 -6  17  22 o 78.85107 2.611699  1305.080       84.54491 1339.219       
135.2546 1283.186       108.3130 79.65839 4.044282 78.04375 3.305701 1.614639 
5.223397 
1 1 1 -6  17  23 o 83.37375 2.370238  1463.567       80.77493 1474.738       
130.2428 1456.584       102.9696 83.59039 3.711235 83.15712 2.949381 0.4332657 
4.740476 
1 1 1 -6  17  24 o 101.4802 2.196962  2200.640       91.71504 2007.350       
141.0576 2342.199       120.7147 97.51530 3.445441 105.4450 2.726812 -7.929718 
4.393924 
1 1 1 -6  17  25 o 29.07500 4.854877  161.0348       58.71111 309.3607       
102.2045 87.98220       71.72649 37.37619 6.761318 20.77381 6.968779 16.60238 
9.709753 
1 1 1 -6  17  26 o 114.8015 2.089813  2802.912       97.55748 2695.376       
157.4658 2869.902       124.2835 112.9171 3.321600 116.6858 2.536977 -3.768639 
4.179627 
1 1 1 -6  17  27 o 73.80865 3.182137  1105.457       92.45050 1321.887       
167.9167 1011.311       110.7475 78.58831 5.089287 69.02901 3.821407 9.559303 
6.364275 
1 1 1 -6  17  28 o 58.11761 3.529520  714.0966       83.82477 773.3842       
137.2709 678.8423       105.8529 59.88380 5.459970 56.35143 4.474234 3.532372 
7.059040 
1 1 1 -6  17  29 o 144.1697 3.334726  4421.775       176.3077 4574.601       
349.5096 4369.613       204.1910 144.9799 5.742119 143.3595 3.392588 1.620438 
6.669452 
1 1 1 -6  17  30 o 66.73537 3.236729  966.2904       89.98093 908.0237       
133.2281 1015.162       122.0146 64.74245 4.901485 68.72829 4.228606 -3.985847 
6.473459 
1 1 1 -6  17  31 o 111.4037 2.767175  2643.748       124.9515 2763.240       
207.3188 2575.581       156.5875 113.0379 4.368531 109.7695 3.397789 3.268402 
5.534350 
1 1 1 -6  17  32 o 25.54557 5.617772  147.8887       75.09392 40.67490       
109.6816 242.4893       103.0281 19.41597 8.095587 31.67517 7.790950 -12.25920 
11.23554 
1 1 1 -6  17  33 o 38.29827 5.147298  345.0982       80.01707 494.1960       
119.2486 222.9832       107.9201 46.69822 6.082385 29.89832 8.305619 16.79990 
10.29460 
1 1 1 -6  17  34 o 49.64474 4.011641  553.2112       83.18775 629.1240       
124.8799 492.6527       111.5379 52.69418 5.644830 46.59531 5.701662 6.098877 
8.023282 
1 1 1 -6  17  35 o 64.84732 3.403017  919.7238       90.84474 1060.161       
146.8182 832.5999       115.6400 68.50306 5.104944 61.19159 4.501293 7.311474 
6.806033 
1 1 1 -6  17  36 o 56.37983 3.260319  711.8164       76.59751 790.7985       
117.4001 653.2734       101.0744 58.94964 4.743602 53.81002 4.474032 5.139618 
6.520638 
1 1 1 -6  17  37 o 37.51167 5.329514  369.0085       80.12711 402.3056       
124.3020 345.3360       104.8090 38.52802 7.955892 36.49533 7.093564 2.032688 
10.65903 
1 1 1 -6  18  1  o 248.3952 7.039104  13374.94       633.8644 12989.20       
1258.168 13506.15       733.7916 244.5352 12.25515 252.2552 6.928732 -7.719986 
14.07821 
1 1 1 -6  18  2  o 213.5225 5.130887  9730.066       457.5793 8936.103       
662.0867 10456.07       633.1147 204.9897 7.693143 222.0552 6.791136 -17.06548 
10.26177 
1 1 1 -6  18  3  o 140.9493 4.044276  4137.296       203.3027 4317.799       
422.1638 4082.795       231.9732 142.6694 7.048087 139.2292 3.968521 3.440262 
8.088552 
1 1 1 -6  18  4  o 65.00945 4.141740  890.2914       113.0416 890.2914       
113.0416 0.000000       0.000000 65.00945 4.141740 ?        ?        ? ? 
1 1 1 -6  18  5  o 80.48456 2.680271  1354.648       89.44296 1419.766       
139.1909 1308.846       116.7345 82.10546 4.037941 78.86365 3.525684 3.241814 
5.360542 
1 1 1 -6  18  6  o 127.7089 2.241071  3395.250       116.1067 3565.444       
192.7213 3298.282       145.4699 130.1649 3.526605 125.2529 2.766345 4.911972 
4.482143 
1 1 1 -6  18  7  o 138.7589 2.213777  3987.759       120.2005 4219.582       
215.7214 3883.375       144.7542 141.5922 3.628900 135.9255 2.536596 5.666641 
4.427554 
1 1 1 -6  18  8  o 73.95360 2.220269  1101.398       66.35642 1330.121       
113.8415 983.7002       81.66389 79.50791 3.410448 68.39929 2.843803 11.10862 
4.440538 
1 1 1 -6  18  9  f 75.39285 2.179462  1200.452       68.66520 1129.982       
100.1661 1262.926       94.31258 73.28837 3.255417 77.49734 2.898704 -4.208977 
4.358925 
1 1 1 -6  18  10 o 118.9694 1.967233  2960.357       95.13365 3038.168       
156.3281 2914.593       119.8890 120.1807 3.098299 117.7581 2.424988 2.422600 
3.934466 
1 1 1 -6  18  11 o 27.36515 4.284693  147.0157       50.27692 262.3526       
81.08263 74.96914       64.08408 35.23410 5.481328 19.49619 6.587065 15.73790 
8.569386 
1 1 1 -6  18  12 o 23.91404 4.827117  122.6412       50.31805 136.2750       
78.26563 113.0353       65.69464 25.01209 7.113886 22.81598 6.526627 2.196104 
9.654234 
1 1 1 -6  18  13 o 64.76953 2.532396  853.1182       66.76525 1005.708       
112.0439 769.1060       83.13754 69.08949 3.862756 60.44958 3.275856 8.639900 
5.064792 
1 1 1 -6  18  14 o 84.62279 2.000949  1518.677       68.13734 1462.279       
112.8262 1551.054       85.48698 83.34977 3.224234 85.89581 2.370550 -2.546036 
4.001898 
1 1 1 -6  18  15 o 43.85495 2.934974  410.7216       52.89359 377.9305       
81.85392 434.2309       69.30753 42.30943 4.608116 45.40047 3.636145 -3.091034 
5.869947 
1 1 1 -6  18  16 f 223.7028 3.644629  10595.47       322.8035 10539.85       
557.6291 10623.51       395.8794 222.9883 5.956409 224.4174 4.201723 -1.429153 
7.289258 
1 1 1 -6  18  17 o 237.4110 4.141237  11943.03       393.5824 11938.17       
665.2458 11945.65       488.1907 237.0422 6.684633 237.7797 4.890303 
-0.7375488     8.282475 
1 1 1 -6  18  18 o 167.4911 3.149391  5885.969       213.2820 6047.368       
355.0155 5794.818       266.7948 169.1617 4.998807 165.8204 3.832308 3.341248 
6.298782 
1 1 1 -6  18  19 o 172.9607 3.112385  6297.544       217.0018 6368.775       
362.3719 6257.719       270.9574 173.5954 4.972072 172.3261 3.745166 1.269333 
6.224771 
1 1 1 -6  18  20 o 117.2686 2.621406  2814.326       122.0824 3154.129       
215.3652 2653.438       148.1919 122.2680 4.195500 112.2691 3.144020 9.998932 
5.242813 
1 1 1 -6  18  21 f 109.7286 2.581282  2491.751       113.9877 2699.326       
194.0541 2382.398       140.8481 113.0944 4.086982 106.3628 3.154148 6.731613 
5.162565 
1 1 1 -6  18  22 o 75.06754 2.439326  1182.877       75.40598 1215.429       
119.5775 1161.387       97.15947 75.89016 3.753057 74.24493 3.117019 1.645233 
4.878652 
1 1 1 -6  18  23 o 192.3445 3.232240  7704.737       239.3611 8176.234       
442.3230 7509.488       284.6389 196.0946 5.372729 188.5944 3.594898 7.500229 
6.464480 
1 1 1 -6  18  24 o 113.2320 2.705776  2704.446       126.7044 2756.257       
197.7931 2668.389       165.0048 114.0781 4.129809 112.3860 3.497080 1.692093 
5.411551 
1 1 1 -6  18  25 o 60.51789 2.668639  774.6396       66.84402 779.8097       
103.7434 770.9695       87.40573 60.64790 4.074420 60.38787 3.447555 0.2600288 
5.337278 
1 1 1 -6  18  26 o 39.20650 4.789286  351.1013       73.41481 288.0831       
116.8433 392.2083       94.36882 35.59830 8.011671 42.81469 5.249969 -7.216385 
9.578572 
1 1 1 -6  18  27 o 86.28515 2.905125  1542.650       100.1750 1721.401       
174.1264 1454.221       122.4719 89.76376 4.620453 82.80653 3.522841 6.957230 
5.810250 
1 1 1 -6  18  28 o 100.4035 3.032610  2155.587       120.1205 2153.451       
208.9422 2156.642       146.8062 100.0531 4.974123 100.7540 3.470591 
-0.7008133     6.065221 
1 1 1 -6  18  29 f 37.23650 4.594770  292.3281       68.23291 381.1267       
116.4257 245.8720       84.21065 41.51064 6.680524 32.96236 6.310170 8.548279 
9.189540 
1 1 1 -6  18  30 o 26.70511 5.801353  168.9532       77.46786 70.05650       
122.0181 235.7358       100.2685 21.77183 8.743864 31.63838 7.626770 -9.866554 
11.60271 
1 1 1 -6  18  31 o 26.47448 5.760221  157.3803       75.32082 247.3443       
109.2450 75.86518       103.9887 32.01399 8.113912 20.93497 8.178325 11.07902 
11.52044 
1 1 1 -6  18  32 o 15.80277 5.002405  -23.24887      68.23984 -24.38401      
92.45292 -21.89031      101.1429 15.39836 6.901944 16.20718 7.242887 
-0.8088236     10.00481 
1 1 1 -6  18  33 o 68.37436 3.367309  1032.063       95.98755 884.8024       
133.8121 1188.159       137.7682 63.14058 5.047865 73.60815 4.458041 -10.46757 
6.734617 
1 1 1 -6  18  34 o 78.74123 3.344083  1362.819       109.0203 1462.179       
171.0407 1294.830       141.4859 80.84109 5.039510 76.64136 4.397147 4.199738 
6.688166 
1 1 1 -6  18  35 o 19.18785 5.583862  55.07267       75.27399 0.5133252      
113.0835 98.48116       100.8677 17.29611 7.695894 21.07960 8.092669 -3.783489 
11.16772 
1 1 1 -6  18  36 o 37.36849 5.322001  356.4825       79.94351 436.1044       
124.0270 299.8903       104.5630 40.99292 7.484374 33.74406 7.568284 7.248859 
10.64400 
1 1 1 -6  19  1  o 86.02001 3.455129  1542.190       119.0180 1632.839       
203.8381 1495.300       146.6033 87.83522 5.527615 84.20480 4.146943 3.630417 
6.910258 
1 1 1 -6  19  2  o 95.61482 3.033530  1925.303       117.6516 1940.322       
193.4525 1916.486       148.2115 95.85152 4.807247 95.37814 3.701298 0.4733810 
6.067061 
1 1 1 -6  19  3  o 27.95748 5.632593  170.4028       68.59975 171.3658       
106.9183 169.7289       89.43535 28.14690 8.408893 27.76806 7.496329 0.3788376 
11.26519 
1 1 1 -6  19  4  o 115.0282 2.849892  2789.572       137.5903 2736.689       
195.5963 2841.372       193.5836 113.9420 4.088820 116.1145 3.971032 -2.172493 
5.699784 
1 1 1 -6  19  5  o 61.64806 3.786304  800.5955       97.99725 0.000000       
0.000000 800.5955       97.99725 ?        ?        61.64806 3.786304 ? ? 
1 1 1 -6  19  6  o 209.6723 4.461683  9244.788       385.3313 9688.238       
613.0333 8955.150       495.4393 213.6219 6.835327 205.7227 5.736267 7.899277 
8.923366 
1 1 1 -6  19  7  o 69.34682 2.534108  1005.269       73.39690 944.4036       
97.93527 1083.260       110.8599 66.97553 3.482924 71.71810 3.681855 -4.742569 
5.068216 
1 1 1 -6  19  8  o 64.19565 2.326756  823.8513       61.06684 1084.954       
101.1577 674.1379       76.59906 71.79347 3.356101 56.59783 3.223626 15.19564 
4.653512 
1 1 1 -6  19  9  o 173.2809 3.098689  6287.389       215.9725 6491.154       
364.2577 6176.924       268.1996 175.3177 4.948848 171.2442 3.730468 4.073471 
6.197377 
1 1 1 -6  19  10 o 259.9739 2.863435  14107.41       253.0766 14484.28       
559.8823 14010.64       283.7153 261.8231 5.093423 258.1246 2.618028 3.698486 
5.726870 
1 1 1 -6  19  11 o 279.2205 4.153370  16277.42       449.2675 17123.05       
819.5399 15914.12       537.1760 283.8731 6.876490 274.5678 4.660024 9.305328 
8.306741 
1 1 1 -6  19  12 o 237.3503 2.711792  11778.27       237.8624 12070.34       
466.5594 11675.70       276.4943 239.1058 4.647697 235.5948 2.795385 3.511047 
5.423584 
1 1 1 -6  19  13 o 97.12311 2.298542  1993.772       92.95509 1918.398       
139.2271 2054.392       124.8600 95.44044 3.474661 98.80578 3.009969 -3.365341 
4.597084 
1 1 1 -6  19  14 o 209.2790 2.854660  8936.628       205.6924 9763.020       
453.9530 8723.124       230.7384 214.9116 5.031205 203.6464 2.698760 11.26526 
5.709320 
1 1 1 -6  19  15 o 165.8872 2.485012  5818.425       165.6171 5718.461       
276.7027 5874.229       206.7385 164.6899 4.001911 167.0845 2.947177 -2.394638 
4.970025 
1 1 1 -6  19  16 o 104.5140 2.151008  2308.008       92.39249 2251.986       
145.5174 2345.844       119.5904 103.4193 3.351462 105.6087 2.697229 -2.189354 
4.302017 
1 1 1 -6  19  17 f 281.9414 4.109958  16727.99       451.0604 17136.24       
810.5415 16544.83       542.8887 283.9471 6.799216 279.9357 4.619273 4.011444 
8.219916 
1 1 1 -6  19  18 o 131.9141 2.302830  3677.869       125.3707 3583.117       
194.8304 3744.830       163.7853 130.4211 3.558197 133.4072 2.924266 -2.986084 
4.605659 
1 1 1 -6  19  19 o 44.07716 3.472066  408.3370       63.39071 424.8143       
98.85143 396.8283       82.61388 44.80567 5.254980 43.34865 4.539401 1.457020 
6.944132 
1 1 1 -6  19  20 o 66.64756 2.628006  932.8934       72.37569 957.1044       
113.4750 916.2898       93.97092 67.34917 4.013185 65.94595 3.394114 1.403214 
5.256011 
1 1 1 -6  19  21 o 55.29735 3.090018  646.9813       70.61384 643.5443       
109.8402 649.4024       92.18892 55.13695 4.745039 55.45774 3.959475 
-0.3207970     6.180035 
1 1 1 -6  19  22 o 133.8092 2.355938  3655.668       124.6464 4133.727       
222.2457 3436.286       150.5542 139.8933 3.784056 127.7251 2.807615 12.16819 
4.711877 
1 1 1 -6  19  23 o 80.16983 2.611767  1374.552       86.49082 1253.380       
131.1876 1467.716       115.0316 76.95014 4.060732 83.38953 3.285691 -6.439384 
5.223534 
1 1 1 -6  19  24 o 102.7279 2.177567  2250.204       92.77837 2044.056       
138.4247 2418.344       125.0145 98.36057 3.352074 107.0951 2.780429 -8.734581 
4.355134 
1 1 1 -6  19  25 o 122.3135 2.533862  3114.121       121.5680 3315.783       
217.3414 3022.301       146.6553 124.9738 4.142329 119.6532 2.919406 5.320648 
5.067723 
1 1 1 -6  19  26 o 60.46516 3.226920  788.6811       79.42020 741.0826       
126.8846 819.3414       101.8359 58.81993 5.138136 62.11040 3.905331 -3.290470 
6.453840 
1 1 1 -6  19  27 o 59.81003 3.556867  774.9922       81.54747 751.7689       
148.1808 785.0811       97.66736 58.87482 5.994919 60.74524 3.829643 -1.870415 
7.113735 
1 1 1 -6  19  28 o 141.8273 2.805519  4259.712       146.5381 4372.099       
288.4226 4220.606       170.1326 142.5001 4.820978 141.1545 2.870872 1.345642 
5.611037 
1 1 1 -6  19  29 o 56.17320 3.725838  659.1299       84.06172 780.6552       
145.8506 598.6807       102.8656 59.67968 5.821071 52.66673 4.652163 7.012947 
7.451677 
1 1 1 -6  19  30 o 21.72796 5.878472  87.57082       73.71650 61.97030       
125.6507 101.0069       91.02822 21.50503 8.780923 21.95088 7.818000 
-0.4458523     11.75694 
1 1 1 -6  19  31 o 68.98715 3.116650  1025.080       89.75810 1113.239       
136.0208 957.0807       119.4598 71.52802 4.529498 66.44629 4.282252 5.081726 
6.233301 
1 1 1 -6  19  32 o 20.28284 5.583162  72.27901       68.05867 96.75541       
103.4390 53.59393       90.37698 21.80327 8.245913 18.76242 7.529389 3.040855 
11.16632 
1 1 1 -6  19  33 o 52.24580 3.972034  621.1766       85.52538 493.8297       
120.9298 748.6135       120.9725 46.43867 6.202612 58.05294 4.963449 -11.61427 
7.944068 
1 1 1 -6  19  34 o 49.01628 4.274130  554.3205       85.10197 735.4441       
124.4163 395.0699       116.6623 57.13936 5.186365 40.89319 6.795173 16.24617 
8.548261 
1 1 1 -6  19  35 o 32.54456 5.812503  282.0578       79.27321 267.7721       
119.6998 293.2186       105.8009 31.30577 8.763720 33.78336 7.637930 -2.477589 
11.62501 
1 1 1 -6  19  36 f 19.33321 5.501443  67.16392       75.41788 -28.70195      
115.7658 137.8512       99.40740 16.00537 7.380935 22.66105 8.159981 -6.655684 
11.00289 
1 1 1 -6  20  1  o 103.4178 3.710196  2248.233       149.2634 2298.192       
268.4492 2225.875       179.5827 104.1028 6.142156 102.7328 4.163670 1.369942 
7.420392 
1 1 1 -6  20  2  o 72.19402 3.488883  1124.103       103.3671 882.3333       
149.7317 1344.239       142.8755 64.56344 5.523931 79.82459 4.263263 -15.26115 
6.977766 
1 1 1 -6  20  3  o 49.89240 3.803799  489.1195       74.24052 632.0269       
138.1979 431.1483       88.01984 54.59859 6.028942 45.18621 4.639763 9.412380 
7.607597 
1 1 1 -6  20  4  o 25.28862 5.956931  119.4102       70.79709 170.6387       
123.7195 94.46736       86.32875 28.47688 9.143022 22.10036 7.638405 6.376522 
11.91386 
1 1 1 -6  20  5  o 170.8623 3.501452  6169.790       247.1286 6167.944       
385.4874 6171.077       322.0028 170.7382 5.377748 170.9863 4.485588 
-0.2481079     7.002905 
1 1 1 -6  20  6  o 97.80032 2.757244  2013.722       112.6576 2040.601       
168.3452 1991.921       151.6097 98.37189 4.076156 97.22874 3.714098 1.143143 
5.514488 
1 1 1 -6  20  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  20  8  o 220.8983 4.870353  10374.25       439.9327 10382.68       
706.9612 10368.92       562.0065 220.6499 7.631553 221.1466 6.053160 
-0.4967194     9.740705 
1 1 1 -6  20  9  o 208.6400 3.263746  9164.396       279.2928 9316.007       
447.0071 9067.309       357.7100 209.9259 5.071887 207.3542 4.109029 2.571640 
6.527492 
1 1 1 -6  20  10 f 130.8206 2.266903  3606.579       115.8022 3592.027       
205.6081 3613.339       140.1441 130.5591 3.751061 131.0820 2.546552 
-0.5229340     4.533805 
1 1 1 -6  20  11 o 207.6569 3.005068  8982.328       239.2129 9378.400       
443.9463 8820.285       283.9617 210.6388 5.020109 204.6750 3.304578 5.963730 
6.010136 
1 1 1 -6  20  12 o 197.5747 2.298117  7998.111       161.1873 8632.872       
339.9155 7813.971       183.0804 202.3495 4.001198 192.8000 2.261808 9.549454 
4.596233 
1 1 1 -6  20  13 o 235.9332 3.408358  11539.74       273.3790 12135.40       
608.0638 11388.84       306.0548 239.2514 6.053626 232.6150 3.133882 6.636490 
6.816715 
1 1 1 -6  20  14 o 80.28691 2.185433  1335.826       71.84003 1448.120       
117.1399 1268.128       90.95258 82.93089 3.364416 77.64294 2.790192 5.287941 
4.370865 
1 1 1 -6  20  15 o 164.3528 2.578505  5666.037       166.4327 5760.145       
293.8003 5621.567       201.9633 165.2509 4.234767 163.4546 2.943042 1.796265 
5.157010 
1 1 1 -6  20  16 o 84.40829 2.306459  1519.016       79.38031 1415.099       
126.0946 1587.234       102.1657 81.95448 3.664756 86.86211 2.801532 -4.907631 
4.612918 
1 1 1 -6  20  17 o 272.4299 4.406073  15831.27       476.2964 15498.70       
815.4215 16003.49       586.8076 269.7513 7.200118 275.1085 5.080573 -5.357178 
8.812146 
1 1 1 -6  20  18 o 91.50967 2.138579  1776.301       80.14468 1698.317       
126.7854 1828.201       103.4307 89.79429 3.363113 93.22504 2.642641 -3.430756 
4.277158 
1 1 1 -6  20  19 o 144.4417 2.253024  4418.271       134.3941 4255.204       
207.7269 4535.666       176.2519 142.0898 3.482177 146.7936 2.859880 -4.703720 
4.506048 
1 1 1 -6  20  20 o 80.70377 2.523685  1385.288       83.66859 1315.151       
130.8901 1433.748       108.7994 78.91822 3.950485 82.48932 3.141592 -3.571098 
5.047369 
1 1 1 -6  20  21 o 186.0496 2.633960  7258.188       184.3448 7427.876       
351.3112 7193.712       216.5535 187.2938 4.467759 184.8054 2.791076 2.488388 
5.267920 
1 1 1 -6  20  22 o 146.8614 2.642756  4539.036       156.2803 4631.050       
262.1557 4488.309       194.6486 147.8692 4.222821 145.8535 3.178744 2.015701 
5.285511 
1 1 1 -6  20  23 o 161.8237 2.585373  5544.237       164.8316 5522.133       
287.5945 5555.050       201.1471 161.3721 4.244956 162.2752 2.952451 
-0.9031372     5.170747 
1 1 1 -6  20  24 o 138.5421 2.445152  3981.567       131.7540 4268.378       
239.6968 3857.394       157.7171 141.8611 4.024574 135.2230 2.778108 6.638107 
4.890305 
1 1 1 -6  20  25 o 23.89574 5.790560  114.6047       69.03776 137.0984       
109.3393 99.69135       89.02922 25.49981 8.604093 22.29168 7.751898 3.208138 
11.58112 
1 1 1 -6  20  26 o 66.67693 3.010178  959.9821       82.82352 869.7570       
125.6647 1029.275       110.1274 63.75985 4.694477 69.59399 3.769161 -5.834145 
6.020356 
1 1 1 -6  20  27 o 75.48091 3.071137  1248.895       94.47826 1064.004       
145.3705 1384.099       124.3122 70.32032 4.923981 80.64151 3.671776 -10.32119 
6.142274 
1 1 1 -6  20  28 o 27.72237 5.843410  184.8723       74.23281 121.8495       
127.2550 217.3798       91.39399 24.78822 9.195230 30.65653 7.213149 -5.868313 
11.68682 
1 1 1 -6  20  29 o 102.4491 2.647458  2211.095       106.6519 2351.113       
189.5081 2146.192       129.0241 104.4515 4.321497 100.4466 3.059543 4.004883 
5.294917 
1 1 1 -6  20  30 f 49.61224 4.034170  554.6924       79.88285 506.8457       
131.7594 582.5014       100.4497 47.45269 6.613659 51.77179 4.621430 -4.319099 
8.068339 
1 1 1 -6  20  31 o 15.98770 5.130934  -41.82501      75.45759 -90.28330      
116.5366 -6.841293      99.01733 15.33645 7.187279 16.63894 7.324544 -1.302492 
10.26187 
1 1 1 -6  20  32 o 59.39135 3.542406  789.4109       87.12791 667.3589       
125.7683 902.0396       120.8158 54.62186 5.484360 64.16084 4.485125 -9.538982 
7.084811 
1 1 1 -6  20  33 o 28.04010 5.678294  198.0324       70.36719 212.4794       
99.90952 183.8117       99.12359 29.05461 7.958835 27.02559 8.101173 2.029022 
11.35659 
1 1 1 -6  20  34 o 23.59163 6.080809  131.9723       79.08456 176.3893       
116.2556 93.71309       107.8965 26.00357 8.872048 21.17968 8.318154 4.823893 
12.16162 
1 1 1 -6  20  35 o 59.94785 3.878722  846.2382       95.88477 704.3643       
138.7671 975.8663       132.6432 54.41200 6.074533 65.48370 4.824728 -11.07169 
7.757445 
1 1 1 -6  20  36 o 93.92396 3.259327  1966.171       124.6384 2243.813       
207.5531 1809.579       155.8730 98.22119 5.033210 89.62672 4.142422 8.594467 
6.518655 
1 1 1 -6  21  1  o 70.84841 3.427062  1059.313       98.45548 1065.157       
161.8998 1055.884       124.0243 70.94444 5.435619 70.75238 4.175291 0.1920624 
6.854124 
1 1 1 -6  21  2  o 187.6005 5.568773  7527.485       425.0013 7449.566       
689.9265 7575.134       539.5206 186.4231 8.815039 188.7778 6.807350 -2.354752 
11.13755 
1 1 1 -6  21  3  o 249.0175 7.424966  13434.42       726.6882 13312.17       
1268.743 13494.10       886.5062 246.8802 12.24076 251.1548 8.407393 -4.274628 
14.84993 
1 1 1 -6  21  4  o 65.31476 3.181268  908.7813       82.25955 874.7309       
140.9333 926.3755       101.3066 64.31693 5.219264 66.31259 3.638840 -1.995659 
6.362537 
1 1 1 -6  21  5  f 71.25227 2.750014  1054.555       81.59370 1196.105       
125.5545 951.0707       107.3533 75.32515 3.970209 67.17940 3.806278 8.145752 
5.500028 
1 1 1 -6  21  6  o 43.97423 3.665981  410.3622       66.92125 398.3084       
101.7545 419.5497       88.83710 43.37754 5.587399 44.57091 4.747488 -1.193367 
7.331963 
1 1 1 -6  21  7  o 52.47021 3.273579  581.0681       72.08671 588.4078       
103.6040 574.1801       100.3652 52.78833 4.674762 52.15210 4.583870 0.6362343 
6.547157 
1 1 1 -6  21  8  o 39.02872 4.143062  322.0768       67.08474 326.8701       
103.4303 318.5961       88.13825 39.25246 6.276275 38.80497 5.410011 0.4474945 
8.286124 
1 1 1 -6  21  9  o 129.5905 4.766457  3546.891       259.3270 3546.891       
259.3270 0.000000       0.000000 129.5905 4.766457 ?        ?        ? ? 
1 1 1 -6  21  10 f 38.76885 4.183893  314.5979       65.20036 419.7834       
100.6955 238.6613       85.55743 44.54499 5.384338 32.99271 6.405368 11.55228 
8.367785 
1 1 1 -6  21  11 o 155.4952 2.284939  4985.656       138.8119 5372.727       
250.8537 4814.823       166.6522 159.6818 3.741847 151.3086 2.623425 8.373276 
4.569878 
1 1 1 -6  21  12 o 254.0755 2.816751  13446.07       262.1148 13944.25       
522.7426 13278.74       302.9520 256.9214 4.846282 251.2296 2.872262 5.691788 
5.633502 
1 1 1 -6  21  13 o 18.95223 4.831896  55.02658       54.17830 -18.52431      
84.37537 106.6273       70.67236 15.52888 6.798974 22.37558 6.867521 -6.846691 
9.663793 
1 1 1 -6  21  14 o 182.6997 2.219249  7032.690       155.1741 7009.387       
285.6178 7042.448       184.8316 182.3826 3.730121 183.0168 2.405506 
-0.6341553     4.438497 
1 1 1 -6  21  15 o 182.1622 2.239786  6852.033       153.3423 7285.411       
295.4820 6692.298       179.3895 185.9181 3.785563 178.4063 2.395013 7.511810 
4.479573 
1 1 1 -6  21  16 o 79.12506 2.248448  1326.866       73.81435 1255.661       
111.6158 1382.214       98.40611 77.20550 3.443488 81.04462 2.892138 -3.839119 
4.496895 
1 1 1 -6  21  17 o 95.82138 2.582700  1946.824       101.9420 1874.966       
158.8445 1997.146       132.9282 94.26717 4.013588 97.37560 3.251532 -3.108429 
5.165399 
1 1 1 -6  21  18 o 69.52666 2.395685  1033.461       68.61385 930.0637       
104.5719 1111.629       90.92278 66.39726 3.751334 72.65606 2.980726 -6.258797 
4.791371 
1 1 1 -6  21  19 o 71.89684 2.600989  1080.981       76.37548 1133.309       
124.5393 1049.437       96.69278 73.23771 4.050350 70.55596 3.264235 2.681747 
5.201977 
1 1 1 -6  21  20 o 41.52857 3.795788  366.2054       65.17835 369.8434       
101.5632 363.6579       84.98797 41.65824 5.807066 41.39890 4.889785 0.2593384 
7.591575 
1 1 1 -6  21  21 o 92.66682 2.470680  1816.890       94.73173 1795.222       
146.4995 1832.462       124.1896 92.14111 3.787073 93.19253 3.174133 -1.051414 
4.941360 
1 1 1 -6  21  22 o 83.87552 2.367291  1482.335       82.61632 1514.414       
126.1139 1458.219       109.3462 84.63559 3.549204 83.11546 3.133595 1.520134 
4.734582 
1 1 1 -6  21  23 o 101.1608 2.567345  2176.574       107.7433 2093.686       
163.7789 2239.816       143.0585 99.38374 3.925216 102.9378 3.310244 -3.554024 
5.134689 
1 1 1 -6  21  24 o 110.4283 2.490929  2590.095       115.1068 2466.858       
167.0861 2701.413       158.8008 107.8736 3.689322 112.9831 3.347807 -5.109528 
4.981858 
1 1 1 -6  21  25 o 45.51469 3.681949  441.7495       69.40321 462.9251       
108.3968 427.0376       90.35114 46.35976 5.569243 44.66962 4.817730 1.690144 
7.363898 
1 1 1 -6  21  26 o 77.52414 2.921171  1298.794       93.46544 1178.420       
141.7935 1391.282       124.2895 74.17003 4.553539 80.87824 3.660361 -6.708214 
5.842342 
1 1 1 -6  21  27 o 65.81319 2.905643  926.3683       77.05138 929.3052       
128.3818 924.7149       96.32991 65.71638 4.653191 65.90999 3.481216 
-0.1936111     5.811287 
1 1 1 -6  21  28 o 49.81996 3.611907  525.7535       72.59035 588.3276       
123.4714 492.7010       89.73685 51.83072 5.674143 47.80920 4.470750 4.021523 
7.223815 
1 1 1 -6  21  29 o 59.21772 3.694860  735.2767       87.06084 870.0620       
154.1467 672.1423       105.4984 62.72646 5.853352 55.70897 4.510680 7.017494 
7.389720 
1 1 1 -6  21  30 o 32.92235 5.832433  252.4776       77.30257 307.9432       
133.2144 224.3184       94.91824 35.19865 8.983181 30.64604 7.441206 4.552607 
11.66487 
1 1 1 -6  21  31 o 32.48368 5.429766  250.4423       72.22336 300.6509       
112.7814 215.5384       94.03407 35.14663 7.844220 29.82074 7.509837 5.325890 
10.85953 
1 1 1 -6  21  32 o 59.82437 3.671209  796.7854       91.70561 813.5768       
137.4965 783.3305       123.0803 60.21948 5.438457 59.42926 4.932981 0.7902145 
7.342419 
1 1 1 -6  21  33 o 14.74984 4.864709  -72.21174      74.64239 -109.2522      
105.6497 -35.29639      105.4711 13.72101 6.557811 15.77866 7.187259 -2.057646 
9.729418 
1 1 1 -6  21  34 o 46.54628 4.488273  514.5480       87.08358 476.5515       
127.0112 548.2562       119.6296 44.53793 6.792554 48.55463 5.868525 -4.016701 
8.976545 
1 1 1 -6  21  35 o 52.61227 4.083838  646.4843       88.30222 843.2581       
132.9252 491.0625       118.1354 60.19109 5.260128 45.03345 6.248357 15.15764 
8.167675 
1 1 1 -6  22  1  o 95.78454 3.315798  1940.715       130.4926 1933.997       
206.7766 1945.162       168.2217 95.57668 5.153122 95.99240 4.174133 
-0.4157257     6.631595 
1 1 1 -6  22  2  o 51.94008 4.138910  596.0300       84.40806 498.2958       
140.7428 650.9290       105.4837 48.36795 6.930897 55.51221 4.526033 -7.144260 
8.277821 
1 1 1 -6  22  3  o 56.00967 3.727574  702.8074       82.57999 483.6534       
125.1309 871.9026       109.9146 47.72766 6.244757 64.29167 4.072131 -16.56401 
7.455148 
1 1 1 -6  22  4  o 119.9560 3.225832  3080.480       156.9747 2866.664       
252.4534 3215.257       200.4328 116.4153 5.165258 123.4967 3.865757 -7.081398 
6.451664 
1 1 1 -6  22  5  o 55.73764 3.075618  646.9068       71.37331 723.5030       
109.9407 591.1075       93.83580 58.54299 4.473058 52.93228 4.222494 5.610710 
6.151236 
1 1 1 -6  22  6  o 90.65935 2.806020  1731.543       106.7488 1691.140       
148.1139 1775.214       153.9885 89.56266 3.939036 91.75604 3.997374 -2.193382 
5.612041 
1 1 1 -6  22  7  o 102.8154 2.784473  2211.451       118.8948 2341.404       
184.1882 2118.623       155.6714 105.3588 4.164012 100.2720 3.697860 5.086845 
5.568946 
1 1 1 -6  22  8  f 148.1020 3.513469  4640.795       218.2169 4488.528       
312.5780 4785.562       304.7803 145.7006 5.109966 150.5033 4.823495 -4.802673 
7.026938 
1 1 1 -6  22  9  o 144.2346 2.930823  4349.860       173.6102 4567.376       
278.8342 4212.152       221.8611 147.0897 4.515280 141.3795 3.737799 5.710281 
5.861647 
1 1 1 -6  22  10 f 73.42112 3.610648  1135.719       111.2974 0.000000       
0.000000 1135.719       111.2974 ?        ?        73.42112 3.610648 ? ? 
1 1 1 -6  22  11 o 26.70274 8.610382  149.1994       109.6384 149.1994       
109.6384 0.000000       0.000000 26.70274 8.610382 ?        ?        ? ? 
1 1 1 -6  22  12 o 117.1274 2.416258  2889.906       118.7871 2968.233       
168.1221 2811.823       167.8588 118.7174 3.373117 115.5373 3.460533 3.180099 
4.832515 
1 1 1 -6  22  13 o 167.2703 2.642967  5926.246       182.2046 5741.914       
283.9262 6055.308       237.5769 164.9784 4.099204 169.5623 3.337306 -4.583908 
5.285933 
1 1 1 -6  22  14 o 43.12908 3.402126  394.0822       60.70751 388.2854       
93.83088 398.2556       79.61644 42.82877 5.218327 43.42939 4.366567 
-0.6006203     6.804251 
1 1 1 -6  22  15 o 17.54273 5.025307  24.49170       56.75141 49.35060       
89.88390 8.012264       73.18335 19.42003 7.600000 15.66543 6.576842 3.754602 
10.05061 
1 1 1 -6  22  16 o 58.53632 2.851516  724.0307       68.62104 720.5200       
108.5196 726.3699       88.57836 58.38343 4.427309 58.68922 3.594929 
-0.3057976     5.703032 
1 1 1 -6  22  17 o 119.9046 2.530545  3008.045       122.9678 3127.971       
204.1280 2939.735       154.0582 121.6916 3.995424 118.1176 3.106642 3.573997 
5.061090 
1 1 1 -6  22  18 o 24.29306 5.423876  125.3372       61.02517 123.9485       
97.23431 126.2398       78.38528 24.48567 8.113844 24.10044 7.199948 0.3852348 
10.84775 
1 1 1 -6  22  19 o 132.9153 2.831692  3716.398       151.4123 3808.929       
254.7776 3665.874       188.2653 134.0464 4.527173 131.7841 3.402736 2.262299 
5.663383 
1 1 1 -6  22  20 f 103.1320 2.225436  2244.894       94.81143 2242.012       
147.8415 2246.908       123.5672 103.0275 3.417940 103.2366 2.850955 
-0.2091980     4.450872 
1 1 1 -6  22  21 o 41.25237 4.138245  382.2857       66.94768 303.1177       
102.5063 441.1734       88.40724 36.94333 6.865798 45.56141 4.621807 -8.618076 
8.276490 
1 1 1 -6  22  22 o 157.6232 2.243915  5178.219       137.3444 5436.554       
249.4289 5065.811       164.5344 160.2201 3.708095 155.0263 2.527973 5.193817 
4.487830 
1 1 1 -6  22  23 o 54.93170 3.206685  659.6429       71.78172 553.1619       
109.8613 738.9640       94.82066 50.84554 5.146513 59.01786 3.826843 -8.172321 
6.413370 
1 1 1 -6  22  24 o 102.5497 2.460796  2167.804       102.8206 2483.275       
171.4195 1990.520       128.5039 108.1238 3.776242 96.97563 3.156275 11.14819 
4.921593 
1 1 1 -6  22  25 o 77.45574 2.776800  1259.153       89.06590 1390.818       
140.3709 1170.422       115.2331 80.73074 4.141515 74.18074 3.700045 6.550003 
5.553600 
1 1 1 -6  22  26 o 61.53305 3.348354  830.3945       83.68880 744.7407       
132.2918 887.5429       108.0591 58.61816 5.375537 64.44793 3.993682 -5.829765 
6.696708 
1 1 1 -6  22  27 o 83.55840 2.951807  1501.365       99.90284 1488.124       
163.8998 1509.194       126.0193 83.01677 4.702553 84.10004 3.569126 -1.083267 
5.903615 
1 1 1 -6  22  28 o 74.91278 3.159521  1225.925       96.22988 1157.258       
154.1978 1269.727       123.1553 72.88168 5.039423 76.94389 3.812413 -4.062218 
6.319041 
1 1 1 -6  22  29 o 39.12061 5.163052  363.3075       78.30640 329.2220       
131.9653 381.8318       97.28497 36.67866 8.691661 41.56255 5.575253 -4.883892 
10.32610 
1 1 1 -6  22  30 o 73.47461 3.351332  1245.005       94.85174 999.6310       
160.6349 1376.357       117.5287 66.91961 5.717518 80.02962 3.497954 -13.11001 
6.702663 
1 1 1 -6  22  31 o 37.49780 5.385873  322.9265       80.20411 438.1646       
132.4642 256.2281       100.7763 42.56544 7.694531 32.43015 7.538217 10.13530 
10.77175 
1 1 1 -6  22  32 o 29.36481 5.626256  216.7172       71.32562 194.5333       
99.88428 239.7986       101.8848 27.77738 8.081047 30.95225 7.830433 -3.174866 
11.25251 
1 1 1 -6  22  33 o 21.37179 5.884411  93.07868       78.29196 46.35491       
114.3433 134.3184       107.4235 19.26607 8.160803 23.47751 8.479770 -4.211443 
11.76882 
1 1 1 -6  22  34 o 20.41718 5.612923  89.42185       71.85667 38.44841       
108.5217 129.2180       95.88825 18.25942 7.849141 22.57495 8.025621 -4.315529 
11.22585 
1 1 1 -6  22  35 o 46.40261 4.538519  529.5255       88.31673 541.7620       
128.4354 518.5497       121.6390 46.78054 6.539439 46.02469 6.295107 0.7558479 
9.077039 
1 1 1 -6  23  1  o 34.36792 5.515079  290.3886       79.77217 138.5068       
133.5304 374.6769       99.47432 26.77182 9.475496 41.96403 5.646182 -15.19221 
11.03016 
1 1 1 -6  23  2  o 27.90649 5.843478  143.9844       71.37263 259.4132       
127.8029 91.66901       86.03959 33.99963 8.863529 21.81334 7.617269 12.18629 
11.68696 
1 1 1 -6  23  3  o 55.80978 3.758422  666.3264       84.59940 639.9435       
139.1394 681.8003       106.5588 54.84052 6.043236 56.77903 4.470151 -1.938503 
7.516845 
1 1 1 -6  23  4  o 112.7268 3.835336  2650.490       157.7905 2786.854       
317.0914 2605.610       181.9128 114.3409 6.605474 111.1126 3.899607 3.228256 
7.670672 
1 1 1 -6  23  5  o 90.76859 3.494504  1793.241       128.5964 1515.208       
200.3938 1987.896       167.6747 84.50269 5.648521 97.03449 4.115878 -12.53181 
6.989008 
1 1 1 -6  23  6  o 83.33447 2.784295  1459.109       96.96784 1526.826       
145.4790 1404.971       130.0765 85.05212 4.074144 81.61684 3.796122 3.435280 
5.568589 
1 1 1 -6  23  7  o 79.47937 2.780137  1332.578       92.76244 1324.023       
130.3103 1341.366       132.0794 79.22218 3.917897 79.73657 3.945469 
-0.5143967     5.560273 
1 1 1 -6  23  8  o 185.6571 3.656243  7311.554       277.1676 7236.912       
446.0128 7358.514       353.7708 184.6961 5.751892 186.6181 4.515329 -1.922012 
7.312487 
1 1 1 -6  23  9  o 120.8284 3.018019  3045.078       148.0055 3227.490       
245.8116 2941.337       185.3745 123.5504 4.738918 118.1064 3.738503 5.444046 
6.036038 
1 1 1 -6  23  10 o 214.7951 5.102495  9838.516       442.8523 9889.744       
733.6641 9809.151       555.4579 214.7471 8.137501 214.8431 6.158159 
-0.9599304E-01 10.20499 
1 1 1 -6  23  11 o 139.1896 3.439674  4056.109       191.4345 4238.996       
327.9258 3961.562       235.7811 141.3870 5.524426 136.9922 4.099532 4.394791 
6.879349 
1 1 1 -6  23  12 o 59.61082 6.250762  756.0140       156.4361 0.000000       
0.000000 756.0140       156.4361 ?        ?        59.61082 6.250762 ? ? 
1 1 1 -6  23  13 o 166.1092 3.392152  5848.370       231.3467 5801.505       
366.8803 5879.305       298.0790 165.4099 5.283042 166.8085 4.256320 -1.398636 
6.784305 
1 1 1 -6  23  14 o 114.9558 2.648144  2740.725       126.1276 2510.775       
163.1931 3081.843       198.7637 109.1004 3.562842 120.8112 3.918778 -11.71087 
5.296288 
1 1 1 -6  23  15 o 124.2888 2.351673  3244.576       116.2346 3297.397       
200.1325 3217.690       142.7848 124.9608 3.814739 123.6167 2.751224 1.344139 
4.703346 
1 1 1 -6  23  16 o 63.74988 2.690063  834.9292       70.77081 989.5957       
113.6116 736.8611       90.46662 68.42512 3.954833 59.07465 3.647609 9.350471 
5.380126 
1 1 1 -6  23  17 o 106.6518 2.515544  2374.916       109.6757 2519.568       
178.8285 2287.702       138.8565 109.1603 3.902053 104.1433 3.175820 5.016960 
5.031088 
1 1 1 -6  23  18 o 82.41069 2.467212  1400.036       82.89008 1576.572       
137.6436 1299.585       103.8282 86.34066 3.797184 78.48073 3.151180 7.859932 
4.934424 
1 1 1 -6  23  19 o 44.21953 3.883526  408.3945       66.21362 637.6523       
103.6359 250.2609       86.07169 54.80423 4.504195 33.63483 6.327664 21.16940 
7.767052 
1 1 1 -6  23  20 o 101.2308 2.614944  2190.996       109.1053 2042.099       
167.9396 2299.739       143.5188 98.13466 4.076165 104.3269 3.276678 -6.192192 
5.229889 
1 1 1 -6  23  21 o 58.85379 2.927380  718.8454       71.48275 855.6674       
111.8536 624.3867       92.93795 63.47129 4.197528 54.23629 4.081542 9.235008 
5.854761 
1 1 1 -6  23  22 o 20.80568 5.346106  67.86075       61.32840 127.1227       
96.74788 28.05088       79.29552 24.44405 8.093523 17.16730 6.987008 7.276747 
10.69221 
1 1 1 -6  23  23 o 102.7977 2.664745  2251.740       113.4711 2202.013       
174.2359 2288.363       149.5277 101.7036 4.080585 103.8918 3.428162 -2.188232 
5.329490 
1 1 1 -6  23  24 o 25.52917 5.207197  140.5971       65.21990 48.60857       
92.63456 231.0150       91.84030 19.22536 7.657522 31.83298 7.058467 -12.60762 
10.41439 
1 1 1 -6  23  25 o 158.4904 3.216790  5416.048       205.8981 5314.301       
339.1813 5475.421       259.0995 156.8003 5.152358 160.1805 3.852813 -3.380219 
6.433580 
1 1 1 -6  23  26 o 59.56288 3.109624  740.8923       76.59929 909.4715       
121.4784 629.6235       98.69241 65.00607 4.451090 54.11968 4.343597 10.88639 
6.219247 
1 1 1 -6  23  27 o 40.02695 4.501439  361.1490       70.48640 357.8436       
117.2164 363.0212       88.21866 39.24813 7.384786 40.80577 5.149439 -1.557640 
9.002877 
1 1 1 -6  23  28 o 26.31882 5.060404  175.8746       62.42515 66.63414       
105.2337 235.1871       77.54182 20.53804 8.167539 32.09961 5.976796 -11.56156 
10.12081 
1 1 1 -6  23  29 o 41.81146 4.819757  394.9382       79.40838 434.2897       
133.6135 373.4486       98.73804 42.68690 7.740393 40.93602 5.745132 1.750889 
9.639514 
1 1 1 -6  23  30 o 46.72244 4.515828  483.0107       84.53980 548.2107       
145.9958 450.1204       103.6932 48.54738 7.163011 44.89751 5.501097 3.649876 
9.031655 
1 1 1 -6  23  31 o 22.15681 6.054776  98.28339       78.16740 121.9387       
127.5203 84.04504       98.93376 23.63577 9.092734 20.67785 7.997715 2.957920 
12.10955 
1 1 1 -6  23  32 o 45.17292 4.877752  508.7614       84.16123 320.7097       
122.3468 677.6751       115.9542 35.35310 8.363398 54.99274 5.022295 -19.63964 
9.755505 
1 1 1 -6  23  33 o 25.08788 6.213515  164.4090       80.77115 176.1027       
119.6441 154.6166       109.4860 25.72024 8.982383 24.45551 8.587659 1.264727 
12.42703 
1 1 1 -6  23  34 o 55.21745 3.897443  715.0747       90.23756 730.5873       
131.4115 701.2334       124.1300 55.66429 5.623124 54.77062 5.398213 0.8936729 
7.794885 
1 1 1 -6  24  1  o 107.0735 3.260017  2475.910       139.6603 2290.781       
231.3004 2582.130       175.2033 103.6680 5.314385 110.4790 3.777321 -6.811005 
6.520034 
1 1 1 -6  24  2  o 130.3423 4.316213  3641.026       210.0700 3620.079       
401.3335 3648.930       246.5412 129.5165 7.380763 131.1680 4.476954 -1.651474 
8.632426 
1 1 1 -6  24  3  o 28.66739 6.011540  163.7351       77.03968 258.8571       
128.3548 110.1709       96.31844 33.85009 8.909660 23.48469 8.072945 10.36540 
12.02308 
1 1 1 -6  24  4  o 41.52317 5.263989  410.8152       83.21102 275.6193       
135.6832 492.3160       105.3477 34.92120 9.146152 48.12514 5.214039 -13.20395 
10.52798 
1 1 1 -6  24  5  o 60.25786 3.739112  765.3309       90.94460 794.8610       
152.2854 748.9608       113.3841 61.05665 5.940818 59.45907 4.542082 1.597576 
7.478223 
1 1 1 -6  24  6  o 153.5691 3.288011  4999.243       210.3936 4976.225       
317.1538 5017.334       281.1686 153.1644 4.932113 153.9737 4.349521 
-0.8092499     6.576023 
1 1 1 -6  24  7  o 49.57857 3.540239  520.8644       73.59135 532.1342       
107.3205 510.8623       101.1051 50.07391 5.104960 49.08323 4.906379 0.9906845 
7.080478 
1 1 1 -6  24  8  o 49.06846 3.608087  510.4813       74.10320 458.1755       
103.0644 566.4600       106.6217 46.44926 5.285069 51.68766 4.913372 -5.238396 
7.216175 
1 1 1 -6  24  9  f 50.59631 3.857759  559.8027       79.49539 431.9381       
117.2524 668.5771       108.1459 45.00233 6.205944 56.19029 4.584265 -11.18796 
7.715518 
1 1 1 -6  24  10 o 144.6531 2.939130  4438.807       176.4420 4323.479       
268.8392 4526.074       233.8558 142.9128 4.480666 146.3934 3.804939 -3.480621 
5.878259 
1 1 1 -6  24  11 o 86.95621 2.933649  1602.151       105.2212 1581.453       
164.3571 1616.527       136.9695 86.41825 4.530061 87.49417 3.728771 -1.075920 
5.867298 
1 1 1 -6  24  12 o 29.03513 5.643061  188.1539       70.70435 179.3038       
106.4432 195.1422       94.58588 28.51231 8.357390 29.55796 7.584892 -1.045649 
11.28612 
1 1 1 -6  24  13 o 152.4616 2.998079  4873.353       186.5455 5114.250       
304.8049 4729.084       235.8811 155.3115 4.674547 149.6117 3.755333 5.699738 
5.996159 
1 1 1 -6  24  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  24  15 o 116.5540 3.205377  2823.376       148.3139 3058.744       
259.9096 2709.728       180.6057 119.9051 5.163042 113.2029 3.800101 6.702248 
6.410755 
1 1 1 -6  24  16 o 92.91705 2.271911  1791.126       86.85151 1974.905       
139.9718 1676.073       110.7500 96.68734 3.448197 89.14676 2.959098 7.540581 
4.543822 
1 1 1 -6  24  17 o 78.52417 2.628423  1308.194       85.81148 1276.393       
129.8700 1332.837       114.3228 77.62930 3.984779 79.41904 3.428698 -1.789734 
5.256846 
1 1 1 -6  24  18 o 76.24533 2.375986  1226.264       75.14847 1244.288       
115.9238 1213.199       98.69503 76.68919 3.600472 75.80148 3.101264 0.8877029 
4.751971 
1 1 1 -6  24  19 o 44.24202 3.545164  419.4518       64.72865 407.2190       
100.4166 428.1480       84.66583 43.61752 5.483598 44.86652 4.494764 -1.248997 
7.090328 
1 1 1 -6  24  20 f 43.65411 3.636660  390.4628       65.23368 512.6255       
105.3899 314.5893       83.05672 48.95907 5.127280 38.34915 5.158699 10.60992 
7.273319 
1 1 1 -6  24  21 o 54.47024 3.073238  625.1024       69.18024 671.0009       
109.3676 594.4885       89.31998 56.06112 4.646736 52.87936 4.023310 3.181763 
6.146477 
1 1 1 -6  24  22 o 86.08060 2.758698  1572.513       97.56112 1595.831       
155.2712 1557.301       125.4081 86.49100 4.276033 85.67019 3.486718 0.8208160 
5.517397 
1 1 1 -6  24  23 o 72.60245 2.839636  1139.296       85.31222 1000.207       
126.5135 1255.288       115.5323 68.36626 4.407742 76.83864 3.581334 -8.472374 
5.679273 
1 1 1 -6  24  24 o 70.41486 2.955192  1063.106       86.39279 1049.984       
131.8666 1072.973       114.3524 69.92738 4.491677 70.90233 3.841545 
-0.9749527     5.910383 
1 1 1 -6  24  25 o 38.31839 4.359345  310.4565       66.66326 437.8680       
108.2355 232.5827       84.61769 44.72933 5.763661 31.90745 6.541847 12.82188 
8.718690 
1 1 1 -6  24  26 o 88.48259 2.915395  1652.311       105.7423 1828.290       
172.3225 1546.028       133.9200 92.00877 4.461016 84.95641 3.754658 7.052361 
5.830791 
1 1 1 -6  24  27 o 56.41689 3.850375  722.0865       87.56603 598.5354       
136.5621 808.3568       114.1135 51.75697 6.284671 61.07681 4.450222 -9.319847 
7.700751 
1 1 1 -6  24  28 o 62.37741 3.445298  821.1101       88.35008 1016.011       
143.9423 703.3008       111.9105 68.00682 5.041467 56.74800 4.697226 11.25882 
6.890596 
1 1 1 -6  24  29 o 31.90094 5.600548  206.0070       73.62489 410.0133       
134.9060 119.4711       87.86329 41.01951 8.122496 22.78238 7.712952 18.23714 
11.20110 
1 1 1 -6  24  30 o 39.46119 5.220858  366.6938       81.04855 393.1360       
136.8930 352.4223       100.5695 39.58844 8.481796 39.33393 6.090039 0.2545013 
10.44172 
1 1 1 -6  24  31 o 54.53432 4.021822  664.4908       88.14973 718.4365       
149.6694 635.8398       109.0746 55.63466 6.407794 53.43398 4.862137 2.200680 
8.043644 
1 1 1 -6  24  32 o 23.61778 5.791362  128.3122       79.06950 20.03761       
116.9894 219.3646       107.2825 18.32057 8.013680 28.91499 8.363041 -10.59441 
11.58272 
1 1 1 -6  24  33 o 25.92639 5.919990  179.4125       72.88828 211.2234       
111.5676 155.7248       96.27424 27.60787 8.660293 24.24491 8.073688 3.362961 
11.83998 
1 1 1 -6  24  34 o 75.63879 3.526122  1327.658       111.8580 1291.801       
160.1258 1361.833       156.3249 74.44119 5.123528 76.83638 4.845988 -2.395187 
7.052244 
1 1 1 -6  25  1  o 95.75078 3.586462  1979.501       127.5380 1910.770       
243.9119 2005.364       149.6218 94.20227 6.167266 97.29928 3.662741 -3.097008 
7.172925 
1 1 1 -6  25  2  o 54.23229 3.960269  638.7081       84.21204 603.4407       
145.9684 656.3024       103.0999 52.89380 6.573172 55.57078 4.419088 -2.676975 
7.920538 
1 1 1 -6  25  3  o 119.2306 4.099177  3084.255       196.6723 2898.860       
322.7982 3193.705       248.0229 115.9774 6.629470 122.4838 4.823186 -6.506432 
8.198354 
1 1 1 -6  25  4  o 83.99494 3.654000  1541.363       116.1670 1414.631       
212.6373 1595.280       138.6937 81.17879 6.239042 86.81110 3.805420 -5.632309 
7.308000 
1 1 1 -6  25  5  o 61.89716 3.623803  802.9965       91.28196 868.7365       
151.1469 765.2530       114.5264 63.76317 5.646125 60.03116 4.544123 3.732010 
7.247605 
1 1 1 -6  25  6  o 20.61486 5.804928  51.48325       75.64806 23.13804       
117.3368 71.64523       98.96031 20.03777 8.365274 21.19196 8.050525 -1.154188 
11.60986 
1 1 1 -6  25  7  o 132.3780 3.330931  3732.585       183.0144 3652.137       
279.0284 3793.324       242.4518 130.9979 5.073471 133.7580 4.317442 -2.760178 
6.661863 
1 1 1 -6  25  8  f 19.36086 5.422828  39.60204       68.31149 -17.82811      
103.4934 83.93972       90.93456 17.23499 7.538071 21.48673 7.797803 -4.251734 
10.84566 
1 1 1 -6  25  9  o 67.06240 3.087539  946.3737       85.51772 992.9439       
134.9133 915.0942       110.5683 68.37809 4.699578 65.74671 4.005692 2.631378 
6.175079 
1 1 1 -6  25  10 o 63.50522 3.166245  853.0443       84.23810 893.3779       
124.1436 818.6258       114.6797 64.88029 4.557562 62.13015 4.396482 2.750145 
6.332489 
1 1 1 -6  25  11 o 138.4865 3.082488  3994.172       171.3416 4313.160       
293.1257 3828.613       211.1758 142.4262 4.902132 134.5467 3.738453 7.879486 
6.164976 
1 1 1 -6  25  12 o 120.2323 2.826042  3040.583       141.1917 3199.751       
217.9716 2925.520       185.3273 122.8638 4.225686 117.6009 3.753616 5.262886 
5.652084 
1 1 1 -6  25  13 o 60.63524 3.326703  784.6673       83.80992 756.3451       
126.6946 806.7043       111.7562 59.59951 5.063334 61.67097 4.316303 -2.071461 
6.653407 
1 1 1 -6  25  14 o 118.8637 3.039475  2996.225       151.3299 3016.457       
221.9835 2978.660       206.8434 119.1976 4.435824 118.5298 4.156572 0.6678085 
6.078949 
1 1 1 -6  25  15 o 30.03679 5.737441  207.2744       75.28200 154.3178       
114.0246 248.1955       100.2334 26.85220 8.786503 33.22137 7.380399 -6.369165 
11.47488 
1 1 1 -6  25  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -6  25  17 o 60.22647 3.549650  777.0957       88.59085 755.8698       
135.5961 792.9041       117.0194 59.41991 5.435462 61.03304 4.566819 -1.613129 
7.099301 
1 1 1 -6  25  18 f 69.69692 2.525798  1040.392       72.74746 954.5988       
110.4055 1106.221       96.71028 67.06448 3.921202 72.32936 3.184777 -5.264877 
5.051597 
1 1 1 -6  25  19 o 68.96057 2.566321  1001.273       72.75852 1043.889       
116.2912 973.8609       93.26848 70.09248 3.951815 67.82865 3.275237 2.263832 
5.132643 
1 1 1 -6  25  20 o 25.79401 5.347006  146.5584       60.72966 168.9101       
96.00423 131.6481       78.41133 27.30136 7.916083 24.28667 7.190100 3.014687 
10.69401 
1 1 1 -6  25  21 o 40.72521 3.761716  349.9069       63.42091 403.6630       
100.4284 314.2487       81.79411 43.22771 5.533694 38.22270 5.097083 5.005013 
7.523432 
1 1 1 -6  25  22 o 54.10765 3.686081  633.0856       83.12781 731.2455       
119.1862 540.1042       115.9995 58.29399 4.869934 49.92130 5.534665 8.372692 
7.372162 
1 1 1 -6  25  23 o 19.81046 5.582834  44.52272       71.61828 95.82962       
104.8317 -0.3817009     98.07291 22.45819 8.342878 17.16274 7.420815 5.295454 
11.16567 
1 1 1 -6  25  24 o 50.27755 3.859322  555.1561       80.20934 526.6745       
122.7044 576.4064       105.9888 48.95805 5.969765 51.59705 4.892786 -2.639000 
7.718643 
1 1 1 -6  25  25 o 33.74395 5.405638  269.0659       74.13051 261.1501       
114.4420 274.7884       97.30359 33.03668 8.263746 34.45122 6.970953 -1.414539 
10.81128 
1 1 1 -6  25  26 o 24.39243 5.863350  130.2022       71.52276 168.8448       
110.1520 102.0350       94.04404 26.72161 8.631932 22.06325 7.937585 4.658360 
11.72670 
1 1 1 -6  25  27 o 32.96946 5.269967  292.4382       78.52182 90.45293       
127.8848 414.6674       99.48249 22.66077 9.006248 43.27814 5.475189 -20.61737 
10.53993 
1 1 1 -6  25  28 o 31.41448 5.512476  239.8076       70.74103 242.5482       
116.0488 238.1871       89.23785 31.15744 8.596531 31.67152 6.902842 
-0.5140800     11.02495 
1 1 1 -6  25  29 o 62.25230 3.257665  851.4370       82.35920 856.1300       
134.4980 848.6215       104.1743 62.02412 5.165071 62.48047 3.971343 
-0.4563484     6.515329 
1 1 1 -6  25  30 o 20.73241 5.767588  77.64422       78.36702 -17.59223      
132.8275 128.4960       97.05980 18.24186 8.220476 23.22295 8.092222 -4.981096 
11.53518 
1 1 1 -6  25  31 o 73.29057 3.608123  1214.603       106.8679 1192.740       
175.0042 1227.603       134.9524 72.04441 5.785876 74.53674 4.312521 -2.492325 
7.216245 
1 1 1 -6  25  32 o 26.37515 5.840590  188.3844       74.14683 139.0777       
113.8249 224.7296       97.72556 23.42736 8.695276 29.32293 7.800139 -5.895571 
11.68118 
1 1 1 -6  25  33 o 43.49842 5.054250  487.4038       87.74384 383.0829       
125.7490 586.3911       122.4921 37.50325 8.211656 49.49359 5.894954 -11.99033 
10.10850 
1 1 1 -6  26  1  o 70.19928 3.656558  1060.254       101.2864 1053.482       
175.7602 1063.621       123.9349 69.75325 6.001741 70.64531 4.178607 
-0.8920593     7.313115 
1 1 1 -6  26  2  o 60.44003 3.765723  787.7540       91.43726 772.7542       
152.4021 796.1902       114.2938 59.78450 6.071883 61.09557 4.455885 -1.311069 
7.531446 
1 1 1 -6  26  3  o 36.07533 5.583806  291.0009       80.37241 320.0656       
130.7385 273.3433       101.9028 37.34448 8.523280 34.80619 7.215901 2.538296 
11.16761 
1 1 1 -6  26  4  o 21.31003 5.836401  61.50470       78.84700 -28.22021      
127.8106 116.6310       100.1820 18.73701 8.276774 23.88306 8.230998 -5.146053 
11.67280 
1 1 1 -6  26  5  o 103.5770 3.066044  2300.102       129.7443 2196.601       
206.3378 2367.785       166.8585 101.4681 4.843624 105.6859 3.760558 -4.217827 
6.132087 
1 1 1 -6  26  6  o 83.10286 3.457195  1312.765       107.1040 1838.401       
220.1542 1149.785       122.5891 92.58641 5.663706 73.61932 3.966260 18.96709 
6.914390 
1 1 1 -6  26  7  o 76.61990 2.880013  1243.801       92.53669 1286.195       
134.8568 1206.078       127.2110 77.84079 4.126545 75.39902 4.018647 2.441765 
5.760026 
1 1 1 -6  26  8  o 33.44191 5.503514  247.9962       75.56906 303.2903       
115.6811 206.8349       99.80863 36.65297 7.755729 30.23084 7.810464 6.422131 
11.00703 
1 1 1 -6  26  9  o 47.43211 3.808891  489.0555       74.52754 407.0650       
109.0303 560.9625       102.1059 43.53983 5.964601 51.32439 4.738579 -7.784561 
7.617781 
1 1 1 -6  26  10 o 82.44624 2.843634  1444.192       98.25806 1376.275       
140.7679 1508.725       137.2159 80.52203 4.163994 84.37045 3.873781 -3.848419 
5.687269 
1 1 1 -6  26  11 o 34.17704 4.986156  269.5648       70.26701 164.9694       
102.7339 361.5093       96.32092 27.26958 8.262161 41.08449 5.584236 -13.81491 
9.972312 
1 1 1 -6  26  12 o 186.3009 3.620731  7456.041       268.3476 7269.407       
456.1862 7554.792       331.8319 183.9838 5.905866 188.6180 4.190407 -4.634125 
7.241462 
1 1 1 -6  26  13 o 75.09099 3.088829  1200.796       96.29635 1186.145       
147.0359 1211.800       127.4266 74.61522 4.693717 75.56676 4.016524 
-0.9515457     6.177657 
1 1 1 -6  26  14 o 44.83154 4.588880  450.2646       81.60580 339.4809       
117.8750 552.2360       113.0897 38.87021 7.490455 50.79287 5.303242 -11.92266 
9.177760 
1 1 1 -6  26  15 o 53.47672 3.935418  611.4311       88.14993 650.4984       
130.2138 578.3813       119.7662 55.03218 5.635874 51.92126 5.494270 3.110916 
7.870837 
1 1 1 -6  26  16 o 36.40513 5.218513  298.0817       76.54497 308.7599       
115.9908 289.8438       101.8788 36.87814 7.738580 35.93212 7.003275 0.9460220 
10.43703 
1 1 1 -6  26  17 o 95.09741 2.914439  1919.483       115.3680 1964.953       
175.8294 1885.108       152.8776 96.00523 4.362321 94.18959 3.866002 1.815636 
5.828878 
1 1 1 -6  26  18 o 31.93130 8.387693  235.4965       113.9010 235.4965       
113.9010 0.000000       0.000000 31.93130 8.387693 ?        ?        ? ? 
1 1 1 -6  26  19 o 59.92380 3.532391  783.9317       87.36810 656.7816       
127.8749 895.2496       119.6491 55.13844 5.523980 64.70916 4.404179 -9.570721 
7.064782 
1 1 1 -6  26  20 o 73.40042 2.589897  1153.276       79.13794 1087.772       
117.7860 1207.178       106.8477 71.41357 3.928566 75.38728 3.375889 -3.973701 
5.179793 
1 1 1 -6  26  21 o 30.35092 5.819100  213.5831       76.62160 175.2478       
105.2955 256.7293       111.7072 27.56939 8.366837 33.13244 8.089732 -5.563053 
11.63820 
1 1 1 -6  26  22 o 21.76318 5.835871  84.98985       73.65813 68.14658       
105.4894 101.0150       102.8957 20.90017 8.219604 22.62620 8.286594 -1.726030 
11.67174 
1 1 1 -6  26  23 o 74.26134 3.141875  1190.409       97.80772 1161.671       
141.1463 1216.955       135.6589 73.33471 4.584383 75.18796 4.297552 -1.853249 
6.283750 
1 1 1 -6  26  24 o 72.20913 2.826651  1126.262       85.27016 1042.954       
123.5777 1201.974       117.8095 69.54477 4.232496 74.87349 3.747772 -5.328720 
5.653302 
1 1 1 -6  26  25 o 21.94385 5.834444  92.00666       73.08093 118.1948       
108.7171 70.41767       98.71011 23.52353 8.527285 20.36418 7.965446 3.159355 
11.66889 
1 1 1 -6  26  26 o 63.70617 3.088376  878.2688       81.59666 706.5302       
111.5582 1075.849       119.6573 56.87907 4.671647 70.53326 4.040790 -13.65419 
6.176752 
1 1 1 -6  26  27 o 31.49069 5.025455  256.0038       68.77187 121.9498       
107.8420 347.8859       89.28197 23.42073 8.492612 39.56066 5.375531 -16.13993 
10.05091 
1 1 1 -6  26  28 o 46.98981 4.375222  489.0085       79.98689 543.3705       
145.4967 465.4628       95.75495 48.14978 7.197470 45.82985 4.976614 2.319939 
8.750443 
1 1 1 -6  26  29 o 40.47827 5.168184  348.8682       82.38068 657.2532       
141.9818 192.3593       101.1476 53.35081 6.338884 27.60573 8.164500 25.74508 
10.33637 
1 1 1 -6  26  30 f 34.12634 5.625133  312.9364       77.65520 231.7844       
138.8372 349.8829       93.67920 29.15216 9.695492 39.10053 5.706655 -9.948372 
11.25027 
1 1 1 -6  26  31 o 32.33433 6.070158  289.1523       84.59380 236.7036       
135.1722 322.9189       108.4584 28.95222 9.566666 35.71644 7.474368 -6.764223 
12.14032 
1 1 1 -6  26  32 o 21.58191 5.859398  105.5285       80.45760 22.47211       
117.5625 178.7042       110.3483 17.88031 7.913067 25.28351 8.643700 -7.403206 
11.71880 
1 1 1 -6  26  33 o 20.33187 6.430326  64.05003       99.30553 12.95908       
230.8741 75.64817       110.0012 21.23463 9.985563 19.42911 8.104623 1.805519 
12.86065 
1 1 1 -6  27  1  o 126.5542 3.739406  3467.057       197.0295 3481.828       
298.4964 3455.652       262.2860 126.5423 5.618553 126.5662 4.936039 
-0.2389526E-01 7.478812 
1 1 1 -6  27  2  o 22.30909 5.837274  91.48139       75.10381 29.26452       
119.9155 131.6386       96.33917 20.11223 8.430105 24.50595 8.076409 -4.393721 
11.67455 
1 1 1 -6  27  3  o 70.08360 3.523798  1050.989       96.89053 1072.038       
171.1000 1041.053       117.5552 70.29954 5.797205 69.86767 4.007622 0.4318695 
7.047596 
1 1 1 -6  27  4  o 58.67178 3.938493  775.9665       90.59075 640.2300       
150.3010 853.4116       113.5299 54.12405 6.614433 63.21952 4.277403 -9.095470 
7.876986 
1 1 1 -6  27  5  o 50.13457 3.971059  534.4752       81.53741 579.0779       
132.6914 507.4159       103.3525 51.66087 6.117897 48.60828 5.064444 3.052589 
7.942119 
1 1 1 -6  27  6  o 29.71837 6.166695  196.6877       78.24541 217.4194       
137.5771 186.7754       95.12909 30.83383 9.605915 28.60291 7.735561 2.230919 
12.33339 
1 1 1 -6  27  7  o 108.7930 3.120935  2499.965       139.2783 2641.636       
224.6446 2411.503       177.5135 111.1053 4.815955 106.4807 3.970833 4.624588 
6.241869 
1 1 1 -6  27  8  f 136.5317 2.895133  3977.989       165.3585 3620.005       
235.0069 4329.022       232.7143 130.3380 4.294680 142.7255 3.883672 -12.38754 
5.790267 
1 1 1 -6  27  9  f 66.72290 3.088820  936.5848       85.30453 1021.221       
134.4500 879.5586       110.3627 69.14979 4.631175 64.29602 4.088455 4.853767 
6.177640 
1 1 1 -6  27  10 o 113.2703 2.949254  2723.866       139.8286 2821.537       
207.3111 2642.346       189.3960 115.0824 4.290765 111.4582 4.047434 3.624138 
5.898507 
1 1 1 -6  27  11 o 16.15305 4.908368  -19.00633      64.54820 -106.4747      
100.0261 43.41021       84.49627 13.87522 6.538741 18.43089 7.322101 -4.555669 
9.816735 
1 1 1 -6  27  12 o 118.8683 3.231580  3029.953       159.9664 2904.233       
238.9997 3131.981       215.3046 116.4805 4.887255 121.2561 4.229321 -4.775574 
6.463159 
1 1 1 -6  27  13 o 151.4369 3.461744  4932.675       217.5189 4761.674       
330.5558 5063.272       288.8762 148.8606 5.289154 154.0131 4.467608 -5.152557 
6.923487 
1 1 1 -6  27  14 o 52.82928 3.816682  599.8442       84.58436 628.7563       
122.5011 573.5002       116.9337 54.04359 5.399042 51.61496 5.396166 2.428631 
7.633365 
1 1 1 -6  27  15 o 58.03427 3.508930  717.2739       85.07981 823.2385       
126.1932 628.9684       115.1990 61.96177 4.851022 54.10678 5.071287 7.854984 
7.017861 
1 1 1 -6  27  16 o 119.8265 3.086445  3064.981       155.0064 3002.151       
212.2240 3136.826       226.9394 118.5612 4.263564 121.0917 4.463922 -2.530472 
6.172890 
1 1 1 -6  27  17 o 47.34338 4.183429  500.2540       80.66166 409.7451       
122.0388 570.4657       107.4873 43.19879 6.728954 51.48798 4.972474 -8.289192 
8.366858 
1 1 1 -6  27  18 o 22.98392 5.901885  99.81103       73.79398 135.2616       
111.6363 72.30001       98.34387 25.14157 8.686480 20.82626 7.992124 4.315311 
11.80377 
1 1 1 -6  27  19 o 67.75182 4.498644  986.3221       127.9622 0.000000       
0.000000 986.3221       127.9622 ?        ?        67.75182 4.498644 ? ? 
1 1 1 -6  27  20 o 53.14686 5.736797  617.3384       128.0047 617.3384       
128.0047 0.000000       0.000000 53.14686 5.736797 ?        ?        ? ? 
1 1 1 -6  27  21 o 55.47469 3.905339  672.3243       90.92915 690.5497       
130.4979 655.1252       126.7697 56.20195 5.530612 54.74742 5.515345 1.454525 
7.810678 
1 1 1 -6  27  22 o 93.48668 2.862864  1877.776       112.3074 1913.699       
161.9518 1844.497       155.8758 94.32510 4.089588 92.64825 4.007399 1.676842 
5.725729 
1 1 1 -6  27  23 o 41.85600 4.450679  404.0197       74.09172 339.9293       
111.9122 454.0328       98.86043 38.17041 7.245670 45.54158 5.170535 -7.371174 
8.901358 
1 1 1 -6  27  24 o 43.30059 4.419475  417.7785       79.91193 482.0105       
117.6557 362.7721       108.8789 46.46648 6.031071 40.13470 6.461672 6.331776 
8.838949 
1 1 1 -6  27  25 o 56.32061 3.662335  703.1235       85.97752 665.9247       
127.1280 734.4801       116.7190 54.74906 5.530770 57.89217 4.802227 -3.143108 
7.324671 
1 1 1 -6  27  26 o 69.59904 3.048869  1052.231       88.36248 1087.160       
134.6260 1025.794       117.1214 70.46215 4.550865 68.73594 4.058575 1.726212 
6.097737 
1 1 1 -6  27  27 o 56.37180 3.984044  719.0032       90.83148 698.9881       
148.0710 731.0790       115.0133 55.19549 6.389802 57.54810 4.760343 -2.352612 
7.968088 
1 1 1 -6  27  28 o 52.34612 4.082873  622.6762       86.45905 624.1811       
141.9610 621.7889       109.0080 51.83985 6.522683 52.85240 4.912638 -1.012547 
8.165746 
1 1 1 -6  27  29 o 19.27315 5.799480  30.08453       79.57492 96.02582       
133.9314 -5.894394      98.92992 22.27199 9.075146 16.27430 7.223407 5.997688 
11.59896 
1 1 1 -6  27  30 o 58.38694 3.880868  744.2540       91.73841 940.9982       
157.0954 642.4412       113.0092 63.56250 5.886858 53.21137 5.058602 10.35114 
7.761737 
1 1 1 -6  27  31 o 28.63578 6.011912  239.9004       82.86917 149.7713       
133.3160 296.6537       105.7902 23.69884 9.259620 33.57273 7.670189 -9.873894 
12.02382 
1 1 1 -6  27  32 o 21.18420 5.800697  112.4934       73.20482 128.2078       
110.4672 100.1889       97.74988 22.03009 8.465698 20.33832 7.932483 1.691776 
11.60139 
1 1 1 -6  28  1  o 70.75816 3.574076  1140.091       100.2416 892.3837       
159.1618 1302.943       129.0526 63.59817 5.960948 77.91814 3.945019 -14.31998 
7.148152 
1 1 1 -6  28  2  o 80.37987 3.597632  1387.554       112.7071 1447.378       
202.3537 1360.649       135.7058 81.12916 5.940941 79.63058 4.059191 1.498573 
7.195263 
1 1 1 -6  28  3  o 43.11078 4.978006  429.8191       85.14397 364.6252       
130.2420 478.4755       112.5168 39.44684 8.142076 46.77472 5.729640 -7.327877 
9.956013 
1 1 1 -6  28  4  o 68.95445 3.888941  1080.181       106.6261 851.3571       
168.5974 1232.709       137.6499 62.13186 6.463350 75.77705 4.326726 -13.64520 
7.777882 
1 1 1 -6  28  5  o 42.17847 5.146292  394.5786       84.92149 426.8405       
144.7999 377.6642       104.8456 42.80346 8.355774 41.55348 6.009851 1.249977 
10.29258 
1 1 1 -6  28  6  o 17.56876 5.378043  0.1455119      72.09312 -16.35615      
114.0007 11.14293       93.06557 17.84735 7.857835 17.29016 7.344918 0.5571880 
10.75609 
1 1 1 -6  28  7  o 74.88304 3.477942  1231.865       103.4878 1128.003       
173.0144 1289.726       129.1357 72.03902 5.720520 77.72706 3.957266 -5.688042 
6.955883 
1 1 1 -6  28  8  o 27.44125 5.576918  168.3819       68.26768 219.6152       
102.6851 127.8004       91.38930 30.76646 7.907660 24.11603 7.866192 6.650427 
11.15384 
1 1 1 -6  28  9  o 58.20293 3.166201  718.8778       76.03500 763.7893       
120.5987 689.2469       97.95721 59.60243 4.819477 56.80344 4.107550 2.798992 
6.332402 
1 1 1 -6  28  10 o 44.87827 4.064914  445.1551       75.03664 362.5408       
109.5089 518.2738       103.0235 40.70039 6.408726 49.05615 5.002233 -8.355759 
8.129827 
1 1 1 -6  28  11 o 105.8270 2.866397  2379.435       126.6437 2497.815       
191.1633 2286.839       169.0676 108.0904 4.212487 103.5636 3.888431 4.526764 
5.732795 
1 1 1 -6  28  12 o 22.73194 5.770219  102.3294       71.52839 58.88432       
110.5347 133.6292       93.82069 20.87392 8.347563 24.58996 7.968683 -3.716040 
11.54044 
1 1 1 -6  28  13 o 80.45328 3.026697  1391.651       101.4508 1327.271       
150.9911 1444.635       136.9767 78.63971 4.573308 82.26684 3.965910 -3.627129 
6.053394 
1 1 1 -6  28  14 o 69.03394 3.141514  1022.618       90.21413 1018.583       
136.9372 1025.713       119.9148 68.81194 4.740005 69.25592 4.124173 
-0.4439774     6.283029 
1 1 1 -6  28  15 o 19.11129 5.558751  21.60515       75.30074 84.60845       
105.9351 -42.73898      107.0564 21.89823 8.326306 16.32435 7.366916 5.573874 
11.11750 
1 1 1 -6  28  16 o 17.79146 5.516151  -53.59745      84.22182 59.86585       
123.3403 -152.7204      115.2828 21.56193 8.736522 14.02098 6.736832 7.540953 
11.03230 
1 1 1 -6  28  17 o 24.29834 5.898252  113.9897       78.48490 200.5725       
112.1464 30.87523       109.8772 29.21865 8.582820 19.37804 8.092758 9.840612 
11.79650 
1 1 1 -6  28  18 o 22.89525 5.814517  104.4374       74.52013 40.53711       
114.1685 151.8703       98.36360 20.05295 8.303846 25.73755 8.141288 -5.684597 
11.62903 
1 1 1 -6  28  19 o 72.94133 3.328840  1148.743       100.3581 1167.077       
156.6802 1135.988       130.6857 73.24583 5.095096 72.63683 4.285408 0.6090012 
6.657681 
1 1 1 -6  28  20 o 87.35263 3.581672  1664.444       131.1971 1578.780       
185.9247 1749.405       185.1592 85.01949 5.208824 89.68577 4.917483 -4.666283 
7.163343 
1 1 1 -6  28  21 f 58.62003 6.005447  762.9185       147.7986 0.000000       
0.000000 762.9185       147.7986 ?        ?        58.62003 6.005447 ? ? 
1 1 1 -6  28  22 o 46.41082 5.420568  505.6010       100.3390 517.5489       
129.7060 487.7953       158.3410 47.97775 6.439337 44.84390 8.721534 3.133850 
10.84114 
1 1 1 -6  28  23 o 63.46922 3.643624  888.2854       96.57336 900.0488       
130.6790 874.1304       143.3494 64.09888 4.855975 62.83956 5.433551 1.259319 
7.287247 
1 1 1 -6  28  24 o 61.62136 3.411881  832.0076       88.12060 870.7922       
129.2653 798.3357       120.4445 62.92049 4.893401 60.32223 4.755876 2.598259 
6.823762 
1 1 1 -6  28  25 o 62.31615 3.495862  853.3619       91.16409 919.6060       
135.7776 798.9851       123.0160 64.45908 5.017242 60.17323 4.869443 4.285854 
6.991724 
1 1 1 -6  28  26 o 25.55319 6.202621  160.7126       80.28089 147.6972       
122.8566 170.4117       106.0559 24.93384 9.062262 26.17254 8.471451 -1.238699 
12.40524 
1 1 1 -6  28  27 f 39.61049 5.488797  370.9653       88.64572 484.2700       
140.5617 296.1426       114.2247 44.95402 7.447653 34.26695 8.064740 10.68707 
10.97759 
1 1 1 -6  28  28 o 74.74593 3.502734  1252.678       107.1224 1256.697       
171.3359 1250.098       137.2572 74.29094 5.493305 75.20091 4.347435 
-0.9099731     7.005469 
1 1 1 -6  28  29 o 26.00063 6.085685  184.4877       83.63933 90.04652       
136.2339 241.6183       105.9593 21.72115 9.037399 30.28011 8.152770 -8.558960 
12.17137 
1 1 1 -6  28  30 f 30.38169 6.326990  253.0509       83.02504 307.0298       
141.4632 224.6879       102.5434 32.05994 9.691573 28.70344 8.136131 3.356508 
12.65398 
1 1 1 -6  28  31 o 40.77999 5.351990  431.3982       87.18817 460.3480       
141.0439 413.4940       110.9194 40.64155 8.537352 40.91843 6.456686 
-0.2768860     10.70398 
1 1 1 -6  29  1  o 60.78555 4.016373  756.0139       92.65495 977.5839       
181.8994 678.3822       107.6701 65.75845 6.588715 55.81264 4.594980 9.945816 
8.032745 
1 1 1 -6  29  2  o 64.40454 3.707251  888.4157       95.98821 989.6559       
164.3073 835.9615       118.2689 66.76633 5.861657 62.04275 4.540466 4.723583 
7.414503 
1 1 1 -6  29  3  o 32.14954 5.524154  266.8656       78.38176 130.9701       
131.2367 342.2220       97.72660 25.00726 9.325698 39.29183 5.924226 -14.28457 
11.04831 
1 1 1 -6  29  4  f 25.09447 5.981410  144.4708       79.07074 56.95648       
131.5784 193.9392       98.92570 21.62535 8.932287 28.56361 7.957593 -6.938261 
11.96282 
1 1 1 -6  29  5  o 58.67175 4.112027  733.5928       94.75976 829.8287       
170.6167 690.6662       113.9506 60.92791 6.670006 56.41560 4.811036 4.512314 
8.224053 
1 1 1 -6  29  6  o 55.64735 3.807402  628.8842       81.29577 798.4267       
156.2672 565.9713       95.19157 60.07146 6.196133 51.22324 4.426418 8.848221 
7.614804 
1 1 1 -6  29  7  o 50.99543 4.279696  529.7130       86.73916 716.2979       
156.5476 447.0558       104.1954 56.76417 6.568906 45.22669 5.487503 11.53748 
8.559393 
1 1 1 -6  29  8  f 89.82322 2.851967  1738.235       106.5382 1666.432       
160.0654 1795.346       142.7521 88.00357 4.332296 91.64287 3.710266 -3.639297 
5.703934 
1 1 1 -6  29  9  o 71.48277 2.951647  1099.571       87.92152 1075.741       
131.7808 1118.688       118.0319 70.67787 4.441091 72.28767 3.889163 -1.609795 
5.903294 
1 1 1 -6  29  10 f 72.79007 2.980161  1147.791       90.23377 1016.158       
131.1459 1266.128       124.3452 68.65614 4.549842 76.92400 3.850244 -8.267868 
5.960323 
1 1 1 -6  29  11 o 19.63927 5.223102  22.30581       71.71159 -124.9650      
105.5265 148.6718       97.75035 13.76080 6.571363 25.51774 8.120368 -11.75695 
10.44620 
1 1 1 -6  29  12 o 85.02560 2.940809  1556.027       104.6197 1488.753       
152.2083 1616.273       144.0386 83.18658 4.358191 86.86462 3.949635 -3.678040 
5.881619 
1 1 1 -6  29  13 o 50.23623 3.904467  558.4510       80.89462 501.5898       
122.2786 602.7057       107.8750 47.71466 6.104070 52.75779 4.870296 -5.043125 
7.808934 
1 1 1 -6  29  14 o 54.40306 3.727405  626.2471       83.83745 796.9266       
131.2251 508.5333       108.9783 60.52681 5.164046 48.27930 5.376506 12.24751 
7.454810 
1 1 1 -6  29  15 o 48.79070 4.094454  521.5245       83.30856 607.5752       
121.2960 444.6861       114.6194 52.70264 5.481953 44.87877 6.083289 7.823872 
8.188908 
1 1 1 -6  29  16 o 49.83479 3.877730  549.2724       80.21144 473.3132       
115.9223 619.0475       111.1033 46.30696 5.962683 53.36263 4.959192 -7.055664 
7.755461 
1 1 1 -6  29  17 o 52.58486 3.833014  603.7111       84.42459 662.1987       
123.6359 552.6134       115.5615 54.98814 5.355457 50.18158 5.485168 4.806557 
7.666028 
1 1 1 -6  29  18 o 16.64485 5.278865  -36.11110      77.69611 -81.24785      
112.9723 4.399469       107.0264 15.43963 7.185210 17.85007 7.735529 -2.410447 
10.55773 
1 1 1 -6  29  19 o 55.90316 4.060885  680.5982       94.52443 591.6252       
124.8513 800.0878       144.6868 51.68729 5.753477 60.11903 5.732422 -8.431736 
8.121771 
1 1 1 -6  29  20 o 23.11696 6.234467  104.5765       84.12682 85.21500       
116.4108 125.7419       121.7128 21.95514 8.634583 24.27878 8.995461 -2.323639 
12.46893 
1 1 1 -6  29  21 o 43.83314 5.135809  446.5810       91.43246 370.9226       
126.1124 530.4170       132.7531 39.28483 7.924130 48.38145 6.535619 -9.096622 
10.27162 
1 1 1 -6  29  22 f 79.05190 3.585966  1378.823       119.0135 1378.450       
168.0944 1379.198       168.5273 79.04582 5.065186 79.05798 5.077450 
-0.1216125E-01 7.171932 
1 1 1 -6  29  23 o 36.06010 8.432227  323.7574       125.5050 0.000000       
0.000000 323.7574       125.5050 ?        ?        36.06010 8.432227 ? ? 
1 1 1 -6  29  24 o 15.62149 5.217097  -127.7421      93.14751 -33.76111      
124.5733 -246.9202      140.2824 17.36497 7.883336 13.87801 6.835601 3.486961 
10.43419 
1 1 1 -6  29  25 o 17.22172 5.430130  -17.21326      80.44347 -54.62709      
111.0376 24.11528       116.7022 15.68215 7.230646 18.76129 8.103271 -3.079144 
10.86026 
1 1 1 -6  29  26 o 79.48869 3.077647  1395.833       100.1883 1376.600       
159.3025 1408.418       128.8643 78.59886 4.827557 80.37852 3.818685 -1.779655 
6.155295 
1 1 1 -6  29  27 o 45.65483 4.474663  486.2824       85.50859 515.9993       
127.0657 461.6861       115.6006 46.82072 6.464149 44.48895 6.189122 2.331768 
8.949327 
1 1 1 -6  29  28 o 24.08111 6.130232  139.0679       79.01115 211.1595       
125.6552 91.92480       101.6126 27.55679 9.223741 20.60543 8.077228 6.951363 
12.26046 
1 1 1 -6  29  29 o 66.22498 3.756886  990.2101       101.2153 1149.265       
169.2843 901.7141       126.2714 69.62687 5.791099 62.82309 4.787477 6.803776 
7.513772 
1 1 1 -6  29  30 o 60.04105 4.157244  900.3224       98.37135 711.1177       
155.3294 1027.027       127.1112 52.97543 6.983935 67.10668 4.511690 -14.13125 
8.314487 
1 1 1 -6  30  1  o 76.78905 3.885678  1329.177       124.0016 1187.641       
181.1805 1453.895       170.0752 72.50460 5.952055 81.07349 4.996700 -8.568886 
7.771356 
1 1 1 -6  30  2  o 57.56432 4.153556  734.7664       99.61584 827.4489       
152.8523 666.3375       131.3386 60.58997 6.008865 54.53868 5.735996 6.051285 
8.307112 
1 1 1 -6  30  3  o 60.54377 3.720976  787.0453       91.12727 901.3234       
154.5233 726.1086       112.8372 63.48208 5.797811 57.60546 4.665624 5.876617 
7.441952 
1 1 1 -6  30  4  o 58.28243 3.886784  694.0746       90.40958 958.9283       
161.6318 573.4745       109.0681 65.51386 5.876443 51.05099 5.088789 14.46287 
7.773568 
1 1 1 -6  30  5  o 26.85148 6.148538  139.9789       81.81766 288.4571       
137.3903 58.38832       101.8461 33.87111 9.357334 19.83185 7.978621 14.03927 
12.29708 
1 1 1 -6  30  6  o 48.34658 4.554873  481.4934       88.43550 713.6033       
153.9273 367.1282       108.0478 56.26989 6.515695 40.42327 6.366568 15.84662 
9.109746 
1 1 1 -6  30  7  o 20.24544 5.859905  55.80322       75.32466 37.66145       
136.5592 63.73662       90.30482 20.97229 8.902733 19.51859 7.622026 1.453699 
11.71981 
1 1 1 -6  30  8  o 27.59536 6.046227  179.6377       75.24570 191.3528       
124.9227 172.9671       94.26440 28.21758 9.196816 26.97314 7.851497 1.244432 
12.09245 
1 1 1 -6  30  9  o 81.79733 3.078421  1441.458       104.8199 1495.697       
160.1105 1400.775       138.6667 82.99883 4.594825 80.59584 4.098083 2.402985 
6.156841 
1 1 1 -6  30  10 o 59.86770 3.425438  782.1139       85.89337 756.3434       
124.4366 805.5665       118.7089 58.83538 5.037679 60.90001 4.642875 -2.064629 
6.850876 
1 1 1 -6  30  11 o 29.57609 5.644517  210.1635       72.00612 188.4479       
104.4408 229.8372       99.40945 28.07129 8.294494 31.08089 7.657916 -3.009598 
11.28903 
1 1 1 -6  30  12 o 45.68598 4.169888  459.9515       79.74459 504.8593       
118.1201 422.3416       108.0971 47.72369 5.895365 43.64828 5.898857 4.075413 
8.339775 
1 1 1 -6  30  13 o 45.07150 4.021668  440.0706       75.17060 548.6083       
114.8837 358.8126       99.40331 49.91681 5.481917 40.22619 5.885902 9.690620 
8.043337 
1 1 1 -6  30  14 o 52.51289 3.838981  612.1904       83.67552 561.3699       
124.4912 654.0696       113.0103 50.28886 5.896412 54.73690 4.917664 -4.448040 
7.677961 
1 1 1 -6  30  15 o 76.60222 3.228950  1287.608       102.6125 1092.521       
147.4927 1470.608       142.8506 70.68186 4.970313 82.52257 4.123161 -11.84071 
6.457899 
1 1 1 -6  30  16 o 31.97256 5.859464  246.6457       79.16310 275.8367       
118.0683 222.8054       106.6999 33.63823 8.381197 30.30689 8.190775 3.331339 
11.71893 
1 1 1 -6  30  17 o 58.54852 3.701134  746.5503       90.39687 872.0388       
135.6158 646.2138       121.2655 62.98158 5.128823 54.11547 5.337487 8.866100 
7.402269 
1 1 1 -6  30  18 o 64.76558 3.652118  923.7053       99.19205 937.6390       
144.1434 911.1718       136.7091 65.16695 5.268518 64.36422 5.059110 0.8027267 
7.304236 
1 1 1 -6  30  19 f 65.55347 3.658049  947.0695       100.5631 998.6541       
146.3707 900.9506       138.3994 67.23268 5.185549 63.87426 5.160946 3.358425 
7.316097 
1 1 1 -6  30  20 o 23.17294 6.136778  103.6328       85.93465 177.5910       
118.8150 22.50613       124.4399 26.92230 8.969175 19.42358 8.378190 7.498716 
12.27356 
1 1 1 -6  30  21 o 88.98703 3.519911  1743.534       131.1578 1649.120       
177.7712 1856.320       194.2989 86.42540 4.899379 91.54867 5.055213 -5.123268 
7.039822 
1 1 1 -6  30  22 o 73.69090 3.586171  1206.168       110.8210 1130.648       
154.9394 1285.272       158.5728 71.24200 5.180203 76.13982 4.960643 -4.897820 
7.172342 
1 1 1 -6  30  23 o 31.09515 6.303621  251.4458       89.32751 318.1279       
125.4780 182.9253       127.1959 35.32953 8.541422 26.86077 9.272900 8.468767 
12.60724 
1 1 1 -6  30  24 f 17.57344 5.525240  -36.72794      86.96638 66.65199       
123.1217 -139.6637      122.8569 20.74541 8.608937 14.40148 6.928154 6.343931 
11.05048 
1 1 1 -6  30  25 f 68.15341 5.000780  1043.064       143.0883 0.000000       
0.000000 1043.064       143.0883 ?        ?        68.15341 5.000780 ? ? 
1 1 1 -6  30  26 o 27.21718 5.970720  87.68307       96.39760 439.5126       
160.1578 -112.1804      120.7115 39.77858 9.670409 14.65578 7.005797 25.12281 
11.94144 
1 1 1 -6  30  27 o 29.20626 5.302559  133.7749       92.26692 511.8560       
145.1276 -122.7171      119.5348 44.23383 8.117882 14.17868 6.824115 30.05515 
10.60512 
1 1 1 -6  30  28 o 40.77420 5.584164  395.7167       91.95982 716.4423       
156.3569 226.1042       113.7049 53.45925 6.966508 28.08915 8.729222 25.37009 
11.16833 
1 1 1 -6  30  29 o 26.36491 6.461312  210.1309       87.85773 187.1573       
139.9862 225.0614       112.8519 24.95206 9.546863 27.77777 8.709283 -2.825716 
12.92262 
1 1 1 -6  31  1  o 63.17374 3.789911  906.0589       98.53604 863.2852       
152.6571 936.6075       129.0105 61.40471 5.921563 64.94276 4.731680 -3.538055 
7.579822 
1 1 1 -6  31  2  o 44.79208 5.056735  478.2334       91.04803 475.9937       
141.9407 479.7992       118.6814 43.87670 8.002007 45.70745 6.184670 -1.830757 
10.11347 
1 1 1 -6  31  3  o 64.07737 4.013803  897.7604       106.1912 1152.058       
167.2217 725.9087       137.4670 71.52724 5.568551 56.62749 5.782188 14.89975 
8.027606 
1 1 1 -6  31  4  o 39.67204 6.053420  410.9941       95.41470 323.8464       
161.7636 457.4904       118.1577 34.60832 10.34395 44.73576 6.291125 -10.12744 
12.10684 
1 1 1 -6  31  5  o 71.17805 3.680921  1123.586       104.4754 1132.968       
177.5723 1118.619       129.2048 70.77721 5.975894 71.57890 4.299467 
-0.8016891     7.361843 
1 1 1 -6  31  6  o 51.80830 4.590844  622.8904       90.31106 585.7097       
163.5372 639.2043       108.3272 49.71601 7.835041 53.90058 4.787017 -4.184563 
9.181688 
1 1 1 -6  31  7  o 22.88196 6.217114  96.15874       78.83983 149.8270       
141.6989 72.09541       94.88242 25.73162 9.671530 20.03230 7.814830 5.699318 
12.43423 
1 1 1 -6  31  8  o 48.14611 4.479396  509.7850       87.62594 590.3150       
147.0980 465.4902       109.0948 50.65966 6.916171 45.63256 5.694432 5.027096 
8.958793 
1 1 1 -6  31  9  o 46.98928 4.055572  485.5498       79.14184 596.9429       
119.8876 399.5155       105.3612 51.79855 5.512868 42.18001 5.949700 9.618538 
8.111143 
1 1 1 -6  31  10 o 71.90840 3.304439  1130.722       99.52589 1030.550       
138.6871 1237.087       142.9096 68.53340 4.820086 75.28340 4.521508 -6.750000 
6.608878 
1 1 1 -6  31  11 o 89.00896 3.127095  1731.328       116.3001 1660.603       
170.7139 1792.580       158.8704 87.12257 4.667230 90.89534 4.163154 -3.772766 
6.254189 
1 1 1 -6  31  12 o 22.97245 6.100852  109.0270       80.40664 131.8567       
112.4941 85.18099       114.9706 24.20155 8.683891 21.74334 8.571559 2.458212 
12.20170 
1 1 1 -6  31  13 o 51.11997 4.248265  581.4600       90.22929 707.7839       
134.1568 477.1208       121.9253 56.32410 5.673350 45.91584 6.324882 10.40825 
8.496531 
1 1 1 -6  31  14 o 30.10689 5.829874  208.7478       79.81469 337.9243       
123.3591 115.7337       104.6776 37.20129 8.122727 23.01249 8.364868 14.18880 
11.65975 
1 1 1 -6  31  15 o 64.71485 3.399837  903.9457       91.52409 1085.224       
139.8931 768.2853       121.0181 70.33026 4.737782 59.09944 4.877397 11.23082 
6.799675 
1 1 1 -6  31  16 o 22.88534 6.102466  110.4168       79.64915 93.09320       
126.2664 121.8657       102.6481 22.50736 8.947885 23.26332 8.300345 
-0.7559528     12.20493 
1 1 1 -6  31  17 o 56.17670 4.156599  709.7874       97.79929 778.1899       
141.0347 646.4283       135.7357 58.89166 5.704178 53.46175 6.047445 5.429905 
8.313197 
1 1 1 -6  31  18 o 47.85706 4.853156  528.8010       97.34090 505.4413       
132.9584 555.7845       142.9003 46.78194 6.769533 48.93218 6.955998 -2.150242 
9.706312 
1 1 1 -6  31  19 o 82.41867 3.691319  1515.727       127.5747 1566.407       
178.4433 1462.740       182.4595 83.97334 5.061507 80.86400 5.374428 3.109344 
7.382637 
1 1 1 -6  31  20 o 33.83846 6.483299  298.7358       94.20670 299.9724       
127.8397 297.2663       139.3615 34.13176 8.849382 33.54515 9.477399 0.5866089 
12.96660 
1 1 1 -6  31  21 o 18.00183 5.698477  -13.86969      89.40950 12.96700       
122.2114 -44.77542      131.1495 18.64682 8.173206 17.35685 7.942873 1.289968 
11.39695 
1 1 1 -6  31  22 f 15.00252 5.004656  -121.2400      85.24287 -20.76039      
120.0616 -223.3768      121.0476 17.27492 7.798422 12.73011 6.274628 4.544815 
10.00931 
1 1 1 -6  31  23 o 76.06754 5.302389  1271.441       144.4333 1153.672       
163.4202 1691.748       308.7267 71.21961 5.465465 80.91547 9.087904 -9.695854 
10.60478 
1 1 1 -6  31  24 o 41.11645 5.591972  417.6283       94.06206 519.4976       
144.0557 341.9161       124.1914 46.02385 7.455360 36.20904 8.336558 9.814816 
11.18394 
1 1 1 -6  31  25 o 21.98649 6.065215  51.91579       92.00224 240.0213       
141.5241 -85.76263      121.0772 28.79672 9.788858 15.17626 7.164186 13.62046 
12.13043 
1 1 1 -6  31  26 o 38.50158 5.796633  325.0791       99.15295 778.7533       
176.7416 116.7192       119.7771 55.07207 7.644137 21.93109 8.716133 33.14098 
11.59327 
1 1 1 -6  31  27 o 46.70340 12.97524  816.4655       263.3714 0.000000       
0.000000 816.4655       263.3714 ?        ?        46.70340 12.97524 ? ? 
1 1 1 -6  32  1  o 61.48379 4.450727  872.8705       113.1375 1039.848       
180.2335 764.2887       145.3399 65.96503 6.507929 57.00255 6.073118 8.962475 
8.901455 
1 1 1 -6  32  2  o 33.29826 6.509844  291.1826       95.96537 415.8678       
148.9724 202.7413       125.4659 39.22759 9.195815 27.36892 9.216792 11.85867 
13.01969 
1 1 1 -6  32  3  o 22.87793 6.484232  68.87396       90.04107 228.4095       
166.2942 2.702219       107.0988 28.62696 10.52965 17.12891 7.570171 11.49806 
12.96846 
1 1 1 -6  32  4  o 35.56155 6.508596  362.2776       102.7749 231.7234       
182.8247 422.5958       124.2691 28.97036 10.96081 42.15273 7.021963 -13.18237 
13.01719 
1 1 1 -6  32  5  o 53.19627 6.017926  643.4163       110.9198 849.0921       
236.6333 585.5002       125.5693 55.82809 10.48207 50.56444 5.915063 5.263657 
12.03585 
1 1 1 -6  32  6  o 22.63903 6.730178  66.65643       96.22118 156.3927       
190.5997 35.96441       111.4682 26.38963 10.80165 18.88842 8.031540 7.501204 
13.46036 
1 1 1 -6  32  7  o 73.87245 3.819300  1244.727       114.0362 1150.970       
183.3131 1303.915       145.6492 70.82414 6.165003 76.92077 4.510096 -6.096626 
7.638601 
1 1 1 -6  32  8  o 31.27466 6.051319  268.0870       84.00099 167.8177       
149.7196 314.1499       101.4776 26.31646 9.930023 36.23286 6.918705 -9.916393 
12.10264 
1 1 1 -6  32  9  o 45.02677 4.945099  431.3526       87.60511 610.7011       
162.2361 357.5328       104.0843 50.57492 7.640705 39.47861 6.279780 11.09631 
9.890198 
1 1 1 -6  32  10 o 37.33307 5.500824  341.5880       83.47607 300.9056       
115.8291 385.5519       120.4101 34.75195 8.084032 39.91420 7.462217 -5.162247 
11.00165 
1 1 1 -6  32  11 o 63.34743 3.587786  886.1899       94.24992 932.7809       
146.4721 853.2674       123.1262 64.51680 5.407584 62.17806 4.716658 2.338737 
7.175571 
1 1 1 -6  32  12 o 34.21471 5.421604  278.4359       81.73315 449.0497       
122.2933 140.7072       109.8773 44.08509 6.607423 24.34434 8.597506 19.74075 
10.84321 
1 1 1 -6  32  13 o 24.10261 6.126561  134.1696       78.47642 152.4011       
120.7696 120.8454       103.2445 25.18586 9.001558 23.01936 8.313299 2.166504 
12.25312 
1 1 1 -6  32  14 o 48.17341 4.288921  526.9745       85.70323 638.8797       
125.2215 428.3649       117.5475 53.24953 5.601238 43.09729 6.496577 10.15224 
8.577843 
1 1 1 -6  32  15 o 80.13203 3.271250  1411.910       109.0058 1448.695       
166.7327 1384.451       144.0564 80.79099 4.915627 79.47308 4.317513 1.317909 
6.542500 
1 1 1 -6  32  16 o 20.08900 5.932369  53.63607       83.84628 36.13216       
122.5294 69.05032       114.9831 19.57772 8.375468 20.60029 8.403781 -1.022562 
11.86474 
1 1 1 -6  32  17 o 38.14309 5.677907  346.2972       90.71442 537.8011       
140.7773 210.3159       118.6270 47.78009 7.017892 28.50610 8.927692 19.27399 
11.35581 
1 1 1 -6  32  18 o 19.14027 5.813277  31.46520       84.34181 51.69488       
116.6156 9.277049       122.1301 19.81074 8.308955 18.46980 8.132529 1.340933 
11.62655 
1 1 1 -6  32  19 o 21.00590 6.085646  74.00625       86.47340 103.3454       
118.8726 41.03073       126.0242 22.22097 8.729768 19.79083 8.481245 2.430140 
12.17129 
1 1 1 -6  32  20 o 32.28339 6.340934  278.0824       90.45441 331.5030       
127.7235 224.3287       128.1211 35.66149 8.614902 28.90529 9.306623 6.756197 
12.68187 
1 1 1 -6  32  21 o 22.18194 6.272029  103.3555       88.74912 82.82279       
135.2615 118.8771       117.6033 21.63125 9.002863 22.73263 8.735093 -1.101376 
12.54406 
1 1 1 -6  32  22 o 19.75578 6.004683  41.77615       93.10226 -50.07676      
152.9108 95.88799       117.3648 18.08990 8.395714 21.42165 8.587015 -3.331753 
12.00937 
1 1 1 -6  32  23 o 31.30258 6.142821  252.4848       94.93082 452.6007       
143.2070 95.61662       126.7917 41.14740 8.572042 21.45776 8.800972 19.68964 
12.28564 
1 1 1 -6  32  24 o 31.82299 6.393496  284.4136       91.80273 386.1493       
137.9990 203.6485       122.9565 37.03914 8.959147 26.60685 9.123642 10.43229 
12.78699 
1 1 1 -6  32  25 o 45.76579 5.658563  512.8936       101.9410 857.8902       
169.6596 317.9659       127.5286 58.41250 6.918211 33.11908 8.956321 25.29342 
11.31713 
1 1 1 -6  32  26 o 27.92711 6.845940  214.7494       98.43918 379.8410       
164.9531 123.4336       122.6791 33.95122 10.50651 21.90301 8.779565 12.04821 
13.69188 
1 1 1 -6  33  1  o 20.05333 6.255944  55.86087       100.2037 101.9731       
162.3389 27.47866       127.3613 21.82045 9.492570 18.28621 8.150978 3.534235 
12.51189 
1 1 1 -6  33  2  o 22.38989 6.606055  120.5312       97.23412 99.87866       
195.7967 127.2919       112.0241 22.62992 10.09621 22.14986 8.522107 0.4800663 
13.21211 
1 1 1 -6  33  3  o 20.00286 6.301183  8.762182       96.46328 161.7496       
182.1303 -50.88570      113.7239 24.61196 10.35608 15.39376 7.181317 9.218197 
12.60237 
1 1 1 -6  33  4  o 36.08308 6.997872  385.0299       105.6369 376.4138       
192.8331 388.7243       126.2694 33.73892 11.42635 38.42723 8.082033 -4.688305 
13.99574 
1 1 1 -6  33  5  o 35.04005 7.153959  343.1353       103.6991 407.1057       
196.2207 318.3450       122.1506 35.57207 11.52383 34.50802 8.480436 1.064056 
14.30792 
1 1 1 -6  33  6  o 62.87196 5.328461  893.2326       121.5854 1159.587       
253.1190 813.3416       138.6257 66.28384 9.095742 59.46008 5.553148 6.823753 
10.65692 
1 1 1 -6  33  7  f 60.43695 4.735493  878.8574       109.7444 835.1215       
194.8468 899.1782       132.8147 57.75015 8.036396 63.12376 5.011577 -5.373608 
9.470985 
1 1 1 -6  33  8  o 51.44556 5.149858  598.6349       100.8242 750.0067       
194.3925 542.9285       117.9260 54.33271 8.521953 48.55843 5.784503 5.774281 
10.29972 
1 1 1 -6  33  9  o 60.91886 4.349701  872.5750       105.0011 823.0189       
176.2661 899.8326       130.7269 58.49592 7.177351 63.34180 4.915815 -4.845875 
8.699403 
1 1 1 -6  33  10 o 34.92453 5.194943  297.4483       75.38768 382.9808       
110.5203 223.0226       103.0951 40.39342 6.517072 29.45565 8.091817 10.93777 
10.38989 
1 1 1 -6  33  11 o 22.23521 6.118480  106.0133       82.60206 84.54250       
117.6575 126.8813       115.9941 21.18455 8.553752 23.28586 8.750800 -2.101307 
12.23696 
1 1 1 -6  33  12 o 21.09468 6.045196  78.05820       83.19510 114.9937       
125.3535 48.98133       111.2214 22.89613 8.972115 19.29322 8.104242 3.602909 
12.09039 
1 1 1 -6  33  13 o 49.57182 4.283721  566.1171       88.98877 597.9698       
130.7965 538.6658       121.4237 50.81059 6.131448 48.33305 5.983847 2.477547 
8.567443 
1 1 1 -6  33  14 o 20.60935 5.840174  75.64921       78.45798 34.40451       
111.6411 115.8974       110.2841 18.67772 7.992697 22.54097 8.517472 -3.863251 
11.68035 
1 1 1 -6  33  15 o 45.35244 5.312138  494.8564       97.87904 607.8527       
149.0978 409.2793       129.7533 50.40449 7.045682 40.30038 7.951956 10.10411 
10.62428 
1 1 1 -6  33  16 o 42.85998 5.379816  442.3377       91.58121 710.3650       
141.0732 247.1084       120.4003 55.31013 6.075206 30.40982 8.880402 24.90031 
10.75963 
1 1 1 -6  33  17 o 55.57171 4.165799  715.5674       96.76115 705.2894       
142.7643 724.3006       131.5985 54.93288 6.190251 56.21053 5.576407 -1.277653 
8.331598 
1 1 1 -6  33  18 o 86.05647 3.524694  1654.127       126.6069 1481.407       
168.6613 1877.087       191.6278 80.99985 4.959665 91.11308 5.009551 -10.11324 
7.049388 
1 1 1 -6  33  19 o 36.54781 5.907492  346.9314       95.32231 194.9967       
128.9391 530.0512       141.5545 26.64141 9.322801 46.45420 7.258047 -19.81279 
11.81498 
1 1 1 -6  33  20 o 84.40867 5.089405  1662.498       162.0592 1536.300       
189.3194 2008.514       313.4848 81.35615 5.542755 87.46119 8.537332 -6.105042 
10.17881 
1 1 1 -6  33  21 f 25.52151 6.660541  182.0871       96.99969 237.8769       
136.4111 125.0242       137.9586 28.33657 9.610405 22.70645 9.224497 5.630121 
13.32108 
1 1 1 -6  33  22 o 22.45375 6.209686  125.8656       88.23220 66.41256       
128.6855 178.6105       121.2083 19.88205 8.546997 25.02545 9.010530 -5.143402 
12.41937 
1 1 1 -6  33  23 o 38.34561 5.893529  397.2535       96.08614 587.6564       
145.6075 250.3822       127.8838 47.89712 7.240949 28.79411 9.300721 19.10301 
11.78706 
1 1 1 -6  33  24 o 25.73907 6.671976  198.9635       93.73907 223.7605       
142.1103 179.8641       124.7198 26.73195 9.743514 24.74618 9.117291 1.985773 
13.34395 
1 1 1 -6  34  4  f 39.24846 7.003188  408.5784       104.4836 655.7821       
208.0596 325.2138       120.8234 44.61250 11.13214 33.88443 8.500239 10.72807 
14.00638 
1 1 1 -6  34  5  o 19.99233 6.289063  -29.44636      99.95326 229.6266       
185.6011 -135.2768      118.6246 26.37608 10.70476 13.60858 6.604343 12.76751 
12.57813 
1 1 1 -6  34  6  o 17.14220 5.718395  -57.72002      98.67120 3.890168       
173.3095 -87.26839      120.0226 19.53027 9.015769 14.75412 7.036767 4.776153 
11.43679 
1 1 1 -6  34  7  o 19.27792 6.148749  -24.77617      98.70888 161.6678       
176.8777 -109.1036      118.9552 24.30067 10.21445 14.25517 6.847881 10.04550 
12.29750 
1 1 1 -6  34  8  o 36.18488 6.972962  387.4023       105.7043 416.2889       
180.1878 372.2450       130.5231 35.68833 10.96824 36.68142 8.613165 
-0.9930840     13.94592 
1 1 1 -6  34  9  o 31.37875 6.763052  315.7188       111.2273 142.5544       
185.7239 412.5598       138.8891 24.08873 10.30862 38.66877 8.757165 -14.58004 
13.52610 
1 1 1 -6  34  10 o 20.14267 6.154087  31.64338       91.32050 155.3598       
159.2646 -28.95446      111.4639 24.33088 9.902239 15.95445 7.310047 8.376434 
12.30817 
1 1 1 -6  34  11 f 35.08263 5.832273  340.6422       87.00784 256.8337       
135.1608 399.9482       113.6989 29.64059 9.560437 40.52467 6.682792 -10.88407 
11.66455 
1 1 1 -6  34  12 o 84.60149 3.420267  1627.119       121.4771 1636.138       
172.8363 1618.314       170.7714 84.81018 4.854094 84.39279 4.819820 0.4173889 
6.840533 
1 1 1 -6  34  13 o 26.62406 6.311358  197.4355       83.09275 198.1245       
121.1247 196.8231       114.2023 26.59552 9.055935 26.65261 8.793350 
-0.5708885E-01 12.62272 
1 1 1 -6  34  14 o 25.99915 6.634095  181.4773       101.2865 68.44810       
146.3372 285.4217       140.3330 20.88977 9.048940 31.10852 9.703687 -10.21875 
13.26819 
1 1 1 -6  34  15 o 24.32526 6.376186  157.0445       88.86232 106.6025       
126.1024 206.8010       125.2426 21.72809 8.821843 26.92243 9.208587 -5.194338 
12.75237 
1 1 1 -6  34  16 o 59.12003 4.387824  841.0454       107.7420 822.8181       
162.7760 855.2579       143.7347 57.94273 6.691329 60.29733 5.677861 -2.354595 
8.775648 
1 1 1 -6  34  17 o 25.03473 6.449136  172.2773       92.82867 93.38163       
133.6697 245.7719       129.0132 21.19134 8.892254 28.87813 9.343085 -7.686787 
12.89827 
1 1 1 -6  34  18 o 15.20554 5.134716  -98.55810      91.81689 -81.74029      
132.2523 -114.2066      127.5716 15.69792 7.444783 14.71317 7.073643 0.9847546 
10.26943 
1 1 1 -6  34  19 o 57.24587 4.645252  802.4806       110.7937 877.4698       
169.6616 746.7252       146.2944 59.21075 6.825023 55.28099 6.303373 3.929760 
9.290504 
1 1 1 -6  34  20 o 22.36947 5.999684  101.3752       89.77114 245.6722       
127.8494 -38.95583      126.0802 28.47332 9.303926 16.26563 7.577719 12.20769 
11.99937 
1 1 1 -6  34  21 o 26.26056 6.437953  206.5958       88.89277 157.5857       
128.9566 250.9679       122.7031 23.56290 9.127349 28.95821 9.081874 -5.395308 
12.87591 
1 1 1 -6  35  11 o 39.68903 6.878376  497.9489       116.8418 382.4572       
179.2343 583.3005       154.0818 33.17614 11.01609 46.20193 8.239781 -13.02579 
13.75675 
1 1 1 -6  35  12 o 20.06399 6.057029  75.26379       92.09605 27.07084       
139.6064 112.3957       122.5426 18.74507 8.438512 21.38292 8.691484 -2.637848 
12.11406 
1 1 1 -6  35  13 o 18.91719 5.947956  36.67973       96.03142 1.426414       
142.3197 66.14693       130.1171 18.13391 8.288351 19.70047 8.533227 -1.566559 
11.89591 
1 1 1 -6  35  14 o 31.32781 6.443769  291.9066       91.51307 355.9490       
132.0219 232.6771       126.9643 34.98552 8.951252 27.67011 9.271664 7.315407 
12.88754 
1 1 1 -6  35  15 o 19.66401 5.923560  -16.05034      103.8636 -257.8346      
150.7178 202.6149       143.3311 13.67364 6.794137 25.65439 9.705357 -11.98075 
11.84712 
1 1 1 -5  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -31 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -29 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -26 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -20 23 o 25.05279 5.753406  137.9663       69.02858 295.8065       
124.5668 68.01611       82.92545 31.92828 8.940800 18.17730 7.243537 13.75098 
11.50681 
1 1 1 -5  -19 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -19 20 o 42.50565 6.477087  410.3768       115.5860 410.3768       
115.5860 0.000000       0.000000 42.50565 6.477087 ?        ?        ? ? 
1 1 1 -5  -19 21 o 50.44455 3.488370  546.6400       60.60964 594.8679       
132.2337 533.8132       68.19493 51.06210 6.168286 49.82700 3.259931 1.235092 
6.976740 
1 1 1 -5  -19 22 o 67.10938 3.231969  881.4597       78.75437 1248.494       
168.6898 779.1662       89.05523 74.28455 5.408931 59.93422 3.539204 14.35033 
6.463939 
1 1 1 -5  -19 23 o 60.41695 3.829086  839.4508       85.37360 836.0410       
164.0127 840.7181       99.98745 59.02927 6.618067 61.80464 3.853412 -2.775368 
7.658172 
1 1 1 -5  -19 24 o 24.61404 5.247975  183.3358       70.53232 -3.374485      
143.2265 243.1109       81.04005 18.13190 8.298799 31.09617 6.426112 -12.96426 
10.49595 
1 1 1 -5  -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -18 19 o 61.06181 3.106676  860.0847       71.06800 665.3553       
125.1317 952.8051       86.34544 55.19024 5.400404 66.93337 3.072683 -11.74314 
6.213352 
1 1 1 -5  -18 20 o 72.46712 3.346470  1159.162       93.19421 1101.760       
167.3190 1184.979       112.2116 70.59729 5.645187 74.33695 3.595455 -3.739662 
6.692939 
1 1 1 -5  -18 21 o 72.75252 3.492449  1185.568       97.89706 1106.262       
173.7634 1222.447       118.4923 70.22962 5.893305 75.27542 3.749369 -5.045799 
6.984899 
1 1 1 -5  -18 22 o 61.45506 3.649709  828.0828       85.45860 874.1506       
159.4951 809.5314       101.2135 61.89864 6.137440 61.01147 3.951371 0.8871689 
7.299417 
1 1 1 -5  -18 23 o 26.03616 5.248304  72.04789       69.02816 382.0061       
133.4552 -41.16553      80.65532 38.57457 8.470920 13.49774 6.198573 25.07683 
10.49661 
1 1 1 -5  -18 24 o 64.51122 3.893196  934.0439       96.24330 1034.623       
179.2287 893.2900       114.0876 65.71317 6.496453 63.30928 4.292320 2.403881 
7.786393 
1 1 1 -5  -18 25 o 19.70457 5.599309  83.30910       76.93435 -61.26986      
153.2725 132.0043       88.95177 17.15107 8.085897 22.25806 7.747729 -5.106997 
11.19862 
1 1 1 -5  -17 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -17 16 o 35.44062 2.692076  271.7699       36.56369 251.6038       
65.77522 280.7883       43.98604 34.40075 4.554235 36.48050 2.871939 -2.079750 
5.384151 
1 1 1 -5  -17 17 o 18.37391 4.256689  60.17453       42.67183 1.576717       
60.97406 116.4226       59.73906 13.91294 5.928741 22.83487 6.109635 -8.921926 
8.513378 
1 1 1 -5  -17 18 o 14.56583 4.546086  -14.10426      52.92156 -90.42612      
100.8792 14.87571       62.16216 14.35799 6.721257 14.77368 6.123095 
-0.4156885     9.092172 
1 1 1 -5  -17 19 f 46.95582 3.813068  500.1600       66.75243 427.4399       
122.1545 531.1209       79.70576 44.02699 6.608630 49.88465 3.805781 -5.857670 
7.626136 
1 1 1 -5  -17 20 o 38.73641 4.436159  329.7364       64.74327 355.4857       
118.0811 318.6679       77.41769 39.12921 7.455878 38.34362 4.809149 0.7855873 
8.872318 
1 1 1 -5  -17 21 o 42.96561 4.182470  400.6185       70.79681 439.6173       
125.7966 382.5406       85.64809 44.07417 6.798385 41.85706 4.873826 2.217106 
8.364940 
1 1 1 -5  -17 22 o 23.87173 5.249486  141.3012       67.77290 -11.27336      
124.5101 205.5383       80.78975 18.24815 8.101055 29.49531 6.678424 -11.24716 
10.49897 
1 1 1 -5  -17 23 o 54.88068 3.998156  631.2098       83.69308 802.6159       
162.2038 569.0193       97.70338 58.93280 6.555789 50.82857 4.578496 8.104233 
7.996311 
1 1 1 -5  -17 24 o 33.96393 5.731890  331.7865       79.05772 189.5721       
156.4687 380.5381       91.61163 26.92420 10.15372 41.00366 5.321683 -14.07947 
11.46378 
1 1 1 -5  -17 25 o 18.47623 5.219341  30.13029       78.18498 -280.2269      
154.5257 136.9216       90.64373 13.89057 6.898833 23.06189 7.834040 -9.171319 
10.43868 
1 1 1 -5  -17 26 o 30.17735 6.552845  268.1679       81.52687 287.3294       
193.6681 264.0410       89.87852 28.38965 11.14605 31.96505 6.893820 -3.575405 
13.10569 
1 1 1 -5  -16 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -16 15 o 159.9372 2.041379  5376.201       136.8533 5182.936       
187.2045 5598.036       200.5651 156.8655 2.842562 163.0089 2.930658 -6.143356 
4.082758 
1 1 1 -5  -16 16 o 95.27586 2.073642  1923.138       81.81052 1855.880       
125.3543 1973.040       107.9760 93.78001 3.183832 96.77170 2.657663 -2.991684 
4.147284 
1 1 1 -5  -16 17 o 93.59219 2.000280  1884.950       76.13219 1681.796       
120.0670 2021.552       98.45526 89.22451 3.205240 97.95987 2.393932 -8.735359 
4.000559 
1 1 1 -5  -16 18 o 13.72384 3.633496  7.911871       36.76559 -123.2254      
66.21336 66.36511       44.20657 9.863498 4.819926 17.58419 5.438518 -7.720695 
7.266991 
1 1 1 -5  -16 19 o 60.54550 3.234768  765.8646       77.78738 842.7761       
136.5346 728.9025       94.65092 62.57190 5.197380 58.51909 3.852551 4.052811 
6.469536 
1 1 1 -5  -16 20 o 67.03450 3.190614  983.4861       85.81919 900.8481       
140.5991 1032.556       108.3429 64.49481 5.192527 69.57420 3.709142 -5.079384 
6.381228 
1 1 1 -5  -16 21 o 75.67188 3.293156  1207.433       98.69662 1336.985       
174.3070 1146.297       119.7408 78.24137 5.306393 73.10239 3.901501 5.138985 
6.586312 
1 1 1 -5  -16 22 o 44.28448 4.520792  405.0751       76.21053 530.3767       
149.0322 360.7066       88.68282 48.05505 7.386899 40.51391 5.213824 7.541134 
9.041584 
1 1 1 -5  -16 23 o 24.44563 6.143782  114.6956       70.74863 206.7316       
142.6355 84.66379       81.47789 28.68960 9.827219 20.20166 7.376314 8.487942 
12.28756 
1 1 1 -5  -16 24 o 22.43146 6.083797  107.9991       75.79177 63.45750       
155.0023 121.9950       86.88733 22.14750 9.445716 22.71541 7.669995 
-0.5679111     12.16759 
1 1 1 -5  -16 25 o 65.19641 5.802434  1049.616       101.2093 1059.069       
271.5175 1048.090       109.0700 61.10973 10.98237 69.28310 3.749722 -8.173367 
11.60487 
1 1 1 -5  -16 26 o 19.99745 8.954373  33.40588       155.2682 0.000000       
0.000000 33.40588       155.2682 ?        ?        19.99745 8.954373 ? ? 
1 1 1 -5  -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -15 13 o 64.71065 4.021458  882.8585       109.2542 0.000000       
0.000000 882.8585       109.2542 ?        ?        64.71065 4.021458 ? ? 
1 1 1 -5  -15 14 o 47.37082 2.196529  446.3137       41.34182 553.1066       
74.07758 398.0056       49.82254 51.24455 3.443183 43.49708 2.728267 7.747475 
4.393057 
1 1 1 -5  -15 15 o 84.56659 1.920048  1508.433       65.74194 1491.573       
108.0761 1518.335       82.82840 84.16266 3.058660 84.97051 2.321839 
-0.8078537     3.840096 
1 1 1 -5  -15 16 o 144.3476 1.992157  4314.993       119.4572 3906.497       
155.7427 4898.747       186.1783 136.2041 2.723570 152.4910 2.908078 -16.28682 
3.984313 
1 1 1 -5  -15 17 o 35.15623 2.921566  240.9583       41.21459 340.4765       
72.50179 193.4451       50.09620 40.07894 4.308773 30.23352 3.946728 9.845425 
5.843131 
1 1 1 -5  -15 18 o 173.9254 2.451088  6455.453       175.0855 6101.052       
273.6639 6701.042       227.8111 169.6996 3.841119 178.1513 3.045840 -8.451645 
4.902176 
1 1 1 -5  -15 19 o 37.64626 3.472318  328.6254       48.07629 249.0318       
82.17783 370.0420       59.27928 33.48938 6.067901 41.80315 3.377652 -8.313778 
6.944635 
1 1 1 -5  -15 20 o 34.65671 5.158177  278.3062       66.94147 248.5518       
126.2790 289.9356       78.94691 32.61125 8.954170 36.70216 5.123474 -4.090916 
10.31635 
1 1 1 -5  -15 21 o 39.45396 5.089751  385.6397       73.79486 271.9924       
130.2619 439.3510       89.55102 33.76234 9.016609 45.14558 4.724724 -11.38324 
10.17950 
1 1 1 -5  -15 22 o 26.37435 5.854740  107.8900       69.18748 298.1636       
138.7744 44.95060       79.81440 34.87798 9.302935 17.87073 7.111071 17.00725 
11.70948 
1 1 1 -5  -15 23 o 53.99335 5.516461  793.7621       96.49487 465.8926       
180.7731 924.4075       114.1118 42.62180 10.21933 65.36491 4.158214 -22.74312 
11.03292 
1 1 1 -5  -15 24 o 48.23480 5.759203  565.7650       85.31953 550.8612       
199.6673 569.0941       94.36895 45.43406 10.64311 51.03555 4.404305 -5.601490 
11.51841 
1 1 1 -5  -15 25 o 64.13120 7.681496  989.8514       206.8207 0.000000       
0.000000 989.8514       206.8207 ?        ?        64.13120 7.681496 ? ? 
1 1 1 -5  -15 26 o 58.60810 5.252004  718.0736       101.0410 1064.403       
247.6233 648.8914       110.6737 63.51260 9.286513 53.70361 4.908650 9.808990 
10.50401 
1 1 1 -5  -15 27 o 26.31817 5.543303  225.1382       87.34184 -222.9764      
226.8840 303.1008       94.63517 17.93472 8.805568 34.70161 6.736082 -16.76689 
11.08661 
1 1 1 -5  -14 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -14 12 o 67.93625 1.942777  996.6335       52.96608 875.1201       
85.84216 1071.334       67.30553 64.48082 3.170963 71.39168 2.245558 -6.910858 
3.885555 
1 1 1 -5  -14 13 o 46.38911 2.152531  457.3705       39.96220 437.7137       
66.86139 468.2950       49.84500 45.58733 3.493432 47.19090 2.515848 -1.603569 
4.305062 
1 1 1 -5  -14 14 o 80.69782 2.127427  1367.124       67.27963 1379.352       
119.0446 1361.385       81.55314 80.92732 3.503770 80.46832 2.413997 0.4589996 
4.254855 
1 1 1 -5  -14 15 f 105.0344 2.111276  2352.883       90.92303 2163.178       
141.6424 2485.838       118.5790 101.3527 3.328735 108.7160 2.597975 -7.363358 
4.222553 
1 1 1 -5  -14 16 o 69.38786 2.232459  1038.237       62.87627 906.7746       
98.93784 1127.303       81.43642 65.58096 3.593402 73.19476 2.650085 -7.613800 
4.464917 
1 1 1 -5  -14 17 o 96.53813 2.388952  1968.652       96.65762 1843.773       
137.1172 2092.003       136.2757 93.47439 3.493981 99.60188 3.258906 -6.127487 
4.777905 
1 1 1 -5  -14 18 o 56.21924 2.452048  687.1296       55.83397 579.7374       
87.20408 761.7405       72.68613 52.33240 3.969056 60.10608 2.880409 -7.773674 
4.904097 
1 1 1 -5  -14 19 o 129.0331 2.786975  3465.947       146.6528 3793.674       
242.1012 3275.991       184.3171 133.6375 4.315087 124.4287 3.528306 9.208839 
5.573950 
1 1 1 -5  -14 20 o 32.97197 3.855496  241.9512       48.94194 222.5276       
82.57015 252.4713       60.76724 31.50395 6.465044 34.44000 4.202691 -2.936049 
7.710993 
1 1 1 -5  -14 21 o 75.77711 2.741965  1244.220       85.35537 1101.059       
130.2733 1351.906       112.9856 71.75600 4.324325 79.79823 3.372492 -8.042221 
5.483930 
1 1 1 -5  -14 22 o 92.59148 3.665156  1898.486       137.7874 1681.870       
216.8947 2045.060       178.4146 87.62913 5.895513 97.55384 4.356193 -9.924713 
7.330313 
1 1 1 -5  -14 23 o 44.58365 4.978950  479.4206       74.35300 406.0671       
150.6392 503.0473       85.49284 40.86790 9.021331 48.29940 4.216082 -7.431503 
9.957899 
1 1 1 -5  -14 24 o 29.07036 10.52166  205.0585       165.4616 205.0585       
165.4616 0.000000       0.000000 29.07036 10.52166 ?        ?        ? ? 
1 1 1 -5  -14 25 o 79.83937 4.379261  1344.511       110.7070 1622.036       
274.2465 1290.482       121.0043 82.43698 7.923920 77.24175 3.731382 5.195229 
8.758522 
1 1 1 -5  -14 26 o 39.62323 6.251061  338.4056       83.52452 544.2461       
195.9726 292.7147       92.33038 44.17945 10.67028 35.06701 6.515224 9.112434 
12.50212 
1 1 1 -5  -14 27 o 28.43518 6.955057  169.6510       85.86104 383.7643       
190.9794 115.4100       96.12329 34.93723 11.37130 21.93312 8.011542 13.00411 
13.91011 
1 1 1 -5  -14 28 o 65.38208 5.306218  1036.495       118.8597 1223.876       
258.6197 986.3167       133.8315 65.33842 9.427877 65.42574 4.872262 
-0.8731842E-01 10.61244 
1 1 1 -5  -13 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -13 10 o 145.5214 2.749557  4450.735       167.9843 4450.735       
167.9843 0.000000       0.000000 145.5214 2.749557 ?        ?        ? ? 
1 1 1 -5  -13 11 o 169.0857 2.350878  5987.986       163.1598 6138.819       
261.1391 5891.400       208.9691 170.7884 3.641956 167.3830 2.973663 3.405319 
4.701756 
1 1 1 -5  -13 12 o 139.5858 2.391588  4099.006       139.0462 4116.422       
210.4792 4085.521       185.2165 139.8258 3.585443 139.3458 3.165971 0.4800720 
4.783176 
1 1 1 -5  -13 13 o 176.2428 2.199419  6510.265       162.2183 6222.742       
219.0778 6859.250       241.3602 171.9635 3.034471 180.5220 3.184613 -8.558472 
4.398838 
1 1 1 -5  -13 14 o 123.6640 2.244333  3175.718       106.6926 3326.849       
197.2552 3113.219       126.8496 125.6496 3.739286 121.6784 2.483114 3.971153 
4.488665 
1 1 1 -5  -13 15 o 53.86018 2.392773  637.7234       51.39959 507.7444       
81.57083 723.3175       66.19426 49.07732 3.958905 58.64304 2.688592 -9.565720 
4.785547 
1 1 1 -5  -13 16 o 100.6286 2.338945  2133.645       98.61497 2111.124       
143.6929 2153.697       135.5853 100.1155 3.418653 101.1416 3.193035 -1.026131 
4.677891 
1 1 1 -5  -13 17 o 76.88136 2.271584  1248.579       72.90926 1210.773       
108.0853 1280.145       98.76274 75.79436 3.396650 77.96836 3.017143 -2.173996 
4.543169 
1 1 1 -5  -13 18 o 117.4348 2.572196  2954.707       114.8149 2809.842       
211.0985 3015.563       136.8221 115.2101 4.364312 119.6594 2.723520 -4.449303 
5.144392 
1 1 1 -5  -13 19 o 85.96408 2.482073  1568.063       81.29379 1546.576       
150.2846 1576.951       96.65565 85.42320 4.190441 86.50497 2.661382 -1.081764 
4.964147 
1 1 1 -5  -13 20 o 94.57430 2.510058  1900.918       98.73122 1832.709       
148.6713 1954.733       132.0551 92.99124 3.808080 96.15734 3.271099 -3.166100 
5.020115 
1 1 1 -5  -13 21 o 49.25210 3.047064  553.8250       57.64614 410.7296       
95.95675 634.6317       72.10851 43.74254 5.225075 54.76165 3.136397 -11.01911 
6.094128 
1 1 1 -5  -13 22 o 110.4921 2.556403  2623.009       116.9809 2417.364       
176.3581 2784.577       156.3203 106.4442 3.946342 114.5400 3.250717 -8.095879 
5.112805 
1 1 1 -5  -13 23 o 34.90679 9.798732  297.5071       149.4413 297.5071       
149.4413 0.000000       0.000000 34.90679 9.798732 ?        ?        ? ? 
1 1 1 -5  -13 24 o 47.48486 4.649160  448.8325       79.26328 626.2365       
172.0021 401.0011       89.31177 52.10017 7.863499 42.86956 4.962274 9.230606 
9.298321 
1 1 1 -5  -13 25 o 27.91296 5.328541  221.8042       74.99259 -59.59489      
173.2696 286.6672       83.18777 19.90731 9.118223 35.91862 5.516465 -16.01131 
10.65708 
1 1 1 -5  -13 26 o 20.40177 6.078162  19.56590       72.32929 153.8077       
164.1584 -12.77316      80.57177 26.08850 10.25568 14.71503 6.526647 11.37347 
12.15632 
1 1 1 -5  -13 27 o 36.49000 6.324745  374.3685       83.79880 285.8842       
198.3571 393.5916       92.45441 31.21410 11.49822 41.76590 5.272624 -10.55181 
12.64949 
1 1 1 -5  -13 28 o 28.33337 6.102349  241.8769       82.13275 107.0614       
183.7715 275.5271       91.81260 23.37204 10.13258 33.29470 6.803345 -9.922653 
12.20470 
1 1 1 -5  -13 29 o 19.47287 6.134307  53.21611       84.85995 27.69939       
205.5710 58.45743       93.16862 20.93172 9.722322 18.01401 7.483003 2.917719 
12.26861 
1 1 1 -5  -12 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -12 9  o 23.44695 3.777596  118.9388       35.12959 115.9893       
43.59782 124.3986       59.31691 23.06574 4.665221 23.82817 5.942781 
-0.7624245     7.555192 
1 1 1 -5  -12 10 o 130.3243 2.296962  3606.370       116.9180 3470.948       
205.7105 3670.991       142.1014 128.4645 3.814121 132.1841 2.560590 -3.719666 
4.593925 
1 1 1 -5  -12 11 f 130.8835 2.055019  3552.951       102.3846 3714.236       
192.4490 3489.281       120.9164 132.8915 3.449368 128.8754 2.234788 4.016113 
4.110039 
1 1 1 -5  -12 12 o 192.1635 2.457933  7439.180       147.9511 7281.307       
161.3202 8274.978       371.1809 186.1659 2.064001 198.1612 4.461574 -11.99530 
4.915866 
1 1 1 -5  -12 13 o 29.24718 3.020712  171.5715       36.13610 223.7006       
59.83105 141.6362       45.33970 32.57153 4.375317 25.92282 4.165983 6.648712 
6.041424 
1 1 1 -5  -12 14 o 175.5539 2.523247  6582.801       179.8655 6111.370       
288.4592 6882.692       230.0682 170.2560 4.035553 180.8518 3.030085 -10.59583 
5.046494 
1 1 1 -5  -12 15 o 151.0548 2.526654  4699.895       154.1314 4438.609       
190.8866 5189.379       261.2681 145.2172 3.130965 156.8924 3.966483 -11.67516 
5.053309 
1 1 1 -5  -12 16 o 64.65594 2.253505  868.0333       59.08395 925.1683       
98.47545 835.8969       73.85402 66.27507 3.539149 63.03680 2.790622 3.238266 
4.507011 
1 1 1 -5  -12 17 o 100.2220 2.268452  2108.990       95.29053 2015.507       
130.2462 2216.661       139.7807 97.84243 3.170728 102.6017 3.244993 -4.759232 
4.536904 
1 1 1 -5  -12 18 o 18.97126 4.289032  70.55632       45.63337 -29.57799      
77.77789 123.1200       56.35180 14.33332 6.379887 23.60920 5.734128 -9.275876 
8.578064 
1 1 1 -5  -12 19 o 82.01924 2.501771  1423.673       84.77158 1401.197       
131.6426 1439.596       110.8030 81.42117 3.851060 82.61731 3.194491 -1.196136 
5.003542 
1 1 1 -5  -12 20 o 121.1005 2.693013  3110.719       134.9610 3062.114       
208.3647 3145.849       177.1416 120.1970 4.129065 122.0041 3.458337 -1.807114 
5.386026 
1 1 1 -5  -12 21 o 29.54534 4.496291  192.4791       51.63184 189.8165       
92.30647 193.6915       62.28734 28.96745 7.523924 30.12323 4.925148 -1.155785 
8.992581 
1 1 1 -5  -12 22 o 49.61008 3.590458  499.0983       70.72070 619.5175       
126.8543 444.7939       85.18720 53.58282 5.638981 45.63733 4.446059 7.945499 
7.180915 
1 1 1 -5  -12 23 o 48.03743 6.990996  510.8007       140.9931 0.000000       
0.000000 510.8007       140.9931 ?        ?        48.03743 6.990996 ? ? 
1 1 1 -5  -12 24 o 94.42558 3.656499  1893.797       122.5531 2031.323       
256.5172 1853.123       139.5040 95.71056 6.383778 93.14060 3.567539 2.569962 
7.312999 
1 1 1 -5  -12 25 o 41.31851 5.524978  393.8472       74.55419 412.6969       
168.9681 389.2903       83.07866 40.34643 10.01035 42.29060 4.679148 -1.944164 
11.04996 
1 1 1 -5  -12 26 o 26.09443 6.297049  156.4274       71.52594 154.7691       
168.2589 156.7932       79.02119 26.57739 10.39884 25.61146 7.104602 0.9659271 
12.59410 
1 1 1 -5  -12 27 o 62.01310 4.550500  845.9510       95.32478 959.8597       
213.8006 817.6889       106.4958 62.86091 8.101199 61.16529 4.147139 1.695621 
9.101000 
1 1 1 -5  -12 28 o 22.75214 6.519506  96.76622       80.64719 146.2090       
185.5101 85.24441       89.55228 25.41863 10.55897 20.08564 7.650092 5.332983 
13.03901 
1 1 1 -5  -12 29 o 24.05132 6.805962  117.2787       83.86390 268.9066       
196.7052 83.59482       92.71221 28.52090 11.22179 19.58174 7.704272 8.939161 
13.61192 
1 1 1 -5  -11 1  o 27.43832 2.023185  161.7444       21.32517 167.5333       
25.70242 148.9556       38.20229 28.24691 2.167325 26.62974 3.416988 1.617167 
4.046370 
1 1 1 -5  -11 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -11 8  o 255.9234 2.279236  13418.68       156.6597 13318.37       
166.2950 14209.84       467.0162 251.8593 1.572687 259.9875 4.278588 -8.128189 
4.558472 
1 1 1 -5  -11 9  o 138.5577 1.639594  3996.249       93.02499 4190.774       
150.6652 3876.405       118.2581 141.2516 2.540625 135.8638 2.073232 5.387741 
3.279187 
1 1 1 -5  -11 10 o 87.27267 1.578301  1598.687       57.74505 1618.037       
84.18507 1581.493       79.35636 87.76995 2.284600 86.77539 2.178242 0.9945602 
3.156603 
1 1 1 -5  -11 11 o 118.1667 1.804828  2938.742       88.86243 2976.484       
119.0130 2891.190       133.5866 119.0322 2.381503 117.3012 2.712573 1.730942 
3.609655 
1 1 1 -5  -11 12 o 251.5711 3.353137  13365.64       347.4738 13164.93       
544.8649 13503.23       451.1098 249.8844 5.193627 253.2578 4.242683 -3.373367 
6.706275 
1 1 1 -5  -11 13 o 125.1724 1.958098  3285.611       102.7529 3534.942       
149.3598 3061.574       141.5811 129.6712 2.743540 120.6737 2.794563 8.997498 
3.916196 
1 1 1 -5  -11 14 o 102.8614 1.900910  2189.469       78.30952 2111.514       
96.34811 2341.203       134.4196 100.2309 2.289617 105.4919 3.035043 -5.261002 
3.801819 
1 1 1 -5  -11 15 f 68.04562 1.896515  974.1312       53.88898 845.0927       
75.01948 1111.702       77.46018 63.38147 2.819245 72.70977 2.537505 -9.328297 
3.793029 
1 1 1 -5  -11 16 o 54.88994 2.134858  627.8928       48.85587 533.9611       
65.88181 742.6628       72.82388 50.36851 3.115498 59.41137 2.919613 -9.042862 
4.269715 
1 1 1 -5  -11 17 o 125.4485 2.211805  3295.790       114.0432 3392.441       
181.9768 3233.281       146.3465 126.9234 3.415036 123.9736 2.811734 2.949783 
4.423609 
1 1 1 -5  -11 18 o 96.09766 1.940390  1945.432       78.02494 1910.711       
114.5598 1975.475       106.5617 95.28712 2.863645 96.90819 2.619157 -1.621071 
3.880779 
1 1 1 -5  -11 19 o 60.21130 2.208979  761.6104       55.68500 792.9891       
82.47870 735.3266       75.48604 61.34185 3.202624 59.08075 3.043279 2.261108 
4.417957 
1 1 1 -5  -11 20 o 127.4479 2.664524  3425.950       142.3278 3555.139       
208.7568 3313.739       194.5563 129.6725 3.834545 125.2233 3.700678 4.449196 
5.329048 
1 1 1 -5  -11 21 f 103.4973 2.777354  2276.059       118.6523 2307.842       
154.9266 2230.969       184.5276 104.4641 3.532483 102.5305 4.286764 1.933586 
5.554708 
1 1 1 -5  -11 22 o 40.60939 7.383996  370.0438       121.2419 370.0438       
121.2419 0.000000       0.000000 40.60939 7.383996 ?        ?        ? ? 
1 1 1 -5  -11 23 o 84.28236 2.978478  1514.224       105.3234 1443.021       
146.3932 1590.628       151.6453 82.22129 4.240896 86.34344 4.183316 -4.122147 
5.956957 
1 1 1 -5  -11 24 o 57.63007 3.776133  726.2191       88.66797 696.6177       
141.9333 745.1661       113.5528 56.41457 5.992584 58.84557 4.596266 -2.431000 
7.552266 
1 1 1 -5  -11 25 o 56.20243 3.768814  678.6224       79.68204 718.8065       
152.3383 663.4877       93.49106 56.83745 6.384040 55.56741 4.007477 1.270042 
7.537628 
1 1 1 -5  -11 26 o 61.43940 4.210754  851.4618       96.97939 819.5425       
181.1895 864.2773       114.8091 59.76232 7.221486 63.11647 4.332658 -3.354153 
8.421508 
1 1 1 -5  -11 27 o 30.40354 6.449068  229.3690       76.31983 221.8628       
186.3200 230.8823       83.66040 29.54293 11.09298 31.26414 6.580858 -1.721209 
12.89814 
1 1 1 -5  -11 28 o 17.26742 5.784601  -86.17873      80.61823 23.45119       
190.9933 -109.9458      88.92868 22.25773 9.949747 12.27711 5.903300 9.980627 
11.56920 
1 1 1 -5  -11 29 o 37.05353 6.255172  383.4852       85.79420 326.0220       
186.4856 398.9127       96.62720 32.43691 11.22508 41.67015 5.523258 -9.233242 
12.51034 
1 1 1 -5  -11 30 o 18.41359 5.865543  28.61809       84.04157 -14.31539      
184.0965 39.92092       94.45853 19.54357 9.124874 17.28361 7.372588 2.259958 
11.73109 
1 1 1 -5  -10 1  o 353.6423 1.968199  26265.94       292.1932 26047.89       
414.9973 26480.30       411.4724 352.1855 2.806693 355.0992 2.760020 -2.913696 
3.936399 
1 1 1 -5  -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -10 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -10 6  o 329.4337 3.605009  22988.03       489.8424 21846.47       
757.2849 23809.26       642.3106 322.2961 5.596614 336.5714 4.545576 -14.27533 
7.210017 
1 1 1 -5  -10 7  f 242.0010 2.033952  12296.98       206.6506 12296.98       
206.6506 0.000000       0.000000 242.0010 2.033952 ?        ?        ? ? 
1 1 1 -5  -10 8  f 366.6319 2.356896  28233.94       360.7763 28286.06       
539.5768 28191.80       485.1773 366.9229 3.502672 366.3408 3.154541 0.5821533 
4.713793 
1 1 1 -5  -10 9  o 227.8409 1.931790  10838.34       162.3047 10767.92       
188.5045 11040.19       319.1307 226.4506 1.982757 229.2312 3.316011 -2.780594 
3.863580 
1 1 1 -5  -10 10 o 93.88776 1.585309  1848.725       62.44457 1939.763       
90.17188 1764.838       86.55880 96.10574 2.234822 91.66977 2.249087 4.435974 
3.170618 
1 1 1 -5  -10 11 o 278.1651 3.235973  16288.04       291.6820 16292.61       
322.5854 16267.55       682.9234 278.4764 2.759164 277.8538 5.854324 0.6226501 
6.471947 
1 1 1 -5  -10 12 o 256.0746 2.928108  13805.54       308.4704 13754.09       
487.0544 13840.00       398.6051 255.6165 4.538472 256.5327 3.701017 
-0.9162292     5.856215 
1 1 1 -5  -10 13 o 267.6213 3.141631  15148.57       322.2306 15243.75       
384.7015 14924.79       589.8790 269.2173 3.403628 266.0254 5.281543 3.191833 
6.283262 
1 1 1 -5  -10 14 o 160.9341 2.295832  5429.535       154.8144 5149.999       
211.0053 5755.467       227.8442 156.4668 3.212124 165.4014 3.281103 -8.934601 
4.591664 
1 1 1 -5  -10 15 o 148.9669 2.218376  4737.567       136.0307 5088.991       
179.8637 4267.928       207.9262 155.5565 2.754080 142.3774 3.478478 13.17909 
4.436752 
1 1 1 -5  -10 16 o 127.4942 2.293113  3422.834       122.7098 3475.248       
172.4668 3369.097       174.6291 128.4880 3.197156 126.5003 3.288108 1.987701 
4.586225 
1 1 1 -5  -10 17 o 133.0899 2.277937  3728.092       126.3506 3733.468       
190.6107 3723.878       168.7528 133.1532 3.409705 133.0267 3.021573 0.1264496 
4.555875 
1 1 1 -5  -10 18 o 142.2664 2.118294  4245.722       123.2935 4318.987       
198.7910 4199.921       157.1758 143.2223 3.306033 141.3106 2.649306 1.911713 
4.236588 
1 1 1 -5  -10 19 o 77.83395 2.073047  1275.237       67.68961 1342.130       
96.30993 1209.938       95.15565 79.85536 2.872685 75.81255 2.989610 4.042809 
4.146093 
1 1 1 -5  -10 20 o 154.8904 2.919803  5071.714       189.8049 5056.553       
271.7852 5086.147       265.1858 154.6495 4.185991 155.1312 4.071667 
-0.4816742     5.839605 
1 1 1 -5  -10 21 o 42.29602 3.751491  382.2177       60.23898 383.8608       
71.45844 378.1825       111.9841 42.58570 3.996784 42.00634 6.349840 0.5793648 
7.502983 
1 1 1 -5  -10 22 o 21.13094 5.195063  85.28288       57.31502 115.6056       
82.66940 57.21740       79.53292 23.26262 7.474325 18.99927 7.217285 4.263353 
10.39013 
1 1 1 -5  -10 23 o 49.60740 3.091282  493.8422       62.19806 357.0097       
78.56852 723.5534       101.7994 40.90242 4.575311 58.31238 4.158201 -17.40996 
6.182565 
1 1 1 -5  -10 24 o 100.3309 3.728770  2139.271       147.9254 2272.760       
259.7792 2075.219       179.9489 102.1736 6.056015 98.48833 4.351964 3.685226 
7.457541 
1 1 1 -5  -10 25 o 79.99129 3.227443  1370.845       107.5868 1443.387       
163.9658 1316.000       142.5696 81.73948 4.777959 78.24310 4.340123 3.496384 
6.454886 
1 1 1 -5  -10 26 o 89.54066 3.692608  1724.288       128.4646 1839.206       
232.9896 1674.090       153.9868 90.97360 6.100173 88.10772 4.162848 2.865883 
7.385216 
1 1 1 -5  -10 27 o 59.29697 4.325035  727.5104       95.54093 936.7046       
192.9828 659.5899       109.9625 63.71693 7.214145 54.87701 4.772821 8.839920 
8.650070 
1 1 1 -5  -10 28 o 56.26276 5.421976  772.3355       93.73850 721.7849       
213.1445 784.4572       104.3741 52.55205 10.02037 59.97346 4.145287 -7.421417 
10.84395 
1 1 1 -5  -10 29 o 51.56900 5.754165  636.8687       94.16575 697.4394       
214.2073 622.3595       104.8391 50.25221 10.49507 52.88579 4.721774 -2.633583 
11.50833 
1 1 1 -5  -10 30 o 72.11797 5.471011  1306.295       132.7204 1301.870       
282.6505 1307.546       150.3228 68.15377 9.878273 76.08217 4.706121 -7.928398 
10.94202 
1 1 1 -5  -10 31 o 21.28300 6.230878  107.8624       91.70086 -14.72245      
196.3757 142.0472       103.7017 19.76773 9.275780 22.79827 8.321975 -3.030542 
12.46176 
1 1 1 -5  -9  1  o 286.1946 1.685063  17181.55       201.9264 17428.46       
297.5793 16970.84       274.9010 288.0956 2.460295 284.2937 2.303192 3.801910 
3.370126 
1 1 1 -5  -9  2  o 409.4365 2.323917  35162.21       396.1836 35579.26       
601.7106 34843.05       526.3897 411.5625 3.482354 407.3105 3.078243 4.252014 
4.647834 
1 1 1 -5  -9  3  o 414.5112 2.075934  36346.36       335.5075 35374.01       
594.0217 36801.86       406.5657 410.3747 3.447806 418.6477 2.313146 -8.272980 
4.151868 
1 1 1 -5  -9  4  o 477.6413 2.658356  47990.38       532.3466 46266.02       
763.9466 49618.08       742.2267 469.2781 3.877517 486.0045 3.637620 -16.72644 
5.316711 
1 1 1 -5  -9  5  o 334.8083 3.796385  23723.55       316.9155 23376.07       
1009.451 23761.55       333.7920 333.2245 7.215549 336.3921 2.363476 -3.167633 
7.592770 
1 1 1 -5  -9  6  o 143.7914 1.295339  4330.743       77.93934 4221.282       
105.4458 4462.560       115.7141 141.7943 1.771299 145.7884 1.890533 -3.994156 
2.590678 
1 1 1 -5  -9  7  f 262.6815 2.732997  14461.06       293.2196 14341.30       
372.9394 14654.94       474.5251 261.2875 3.399700 264.0754 4.280085 -2.787872 
5.465993 
1 1 1 -5  -9  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -9  9  o 297.4473 3.302960  18733.85       375.3331 18925.52       
447.4844 18279.04       689.3203 300.1281 3.551341 294.7666 5.570112 5.361511 
6.605919 
1 1 1 -5  -9  10 o 141.8748 1.955830  4255.169       114.1275 4086.787       
178.5690 4371.447       148.3900 139.4774 3.049463 144.2723 2.449868 -4.794952 
3.911659 
1 1 1 -5  -9  11 o 113.6908 1.991450  2722.270       89.67711 2736.382       
110.0526 2694.383       154.7058 114.1447 2.296496 113.2369 3.254166 0.9077988 
3.982899 
1 1 1 -5  -9  12 o 174.6110 2.369951  6369.487       172.5559 6096.340       
229.0220 6728.161       262.4389 170.3168 3.202881 178.9052 3.494028 -8.588440 
4.739903 
1 1 1 -5  -9  13 o 161.5456 2.337676  5428.414       153.5668 5261.569       
192.9925 5716.385       253.5472 158.2258 2.905255 164.8654 3.663114 -6.639618 
4.675352 
1 1 1 -5  -9  14 o 180.6071 2.727914  6858.414       205.3692 6810.855       
274.0865 6919.296       310.1100 179.9207 3.628503 181.2936 4.074314 -1.372833 
5.455829 
1 1 1 -5  -9  15 f 51.86288 2.019990  564.5814       43.93005 604.7028       
63.53122 527.8221       60.81097 53.62634 2.821825 50.09941 2.891148 3.526928 
4.039979 
1 1 1 -5  -9  16 o 76.23133 1.793618  1219.589       57.34675 1274.771       
83.39337 1170.083       78.98702 77.86347 2.551049 74.59919 2.521986 3.264282 
3.587236 
1 1 1 -5  -9  17 o 186.8193 3.041801  7306.225       224.7197 7194.938       
274.0232 7534.769       392.6915 184.8182 3.531535 188.8203 4.953634 -4.002060 
6.083603 
1 1 1 -5  -9  18 o 75.97566 1.933993  1210.132       61.48800 1167.556       
83.09448 1261.660       91.41399 74.50784 2.656387 77.44348 2.811570 -2.935646 
3.867986 
1 1 1 -5  -9  19 o 157.5496 2.781034  5238.757       183.3947 5161.400       
268.9461 5305.989       250.7295 156.4323 4.095056 158.6668 3.763922 -2.234421 
5.562067 
1 1 1 -5  -9  20 o 204.2742 3.486237  8767.164       284.7868 8621.201       
351.3531 9046.723       486.2508 202.0624 4.141706 206.4860 5.609070 -4.423523 
6.972474 
1 1 1 -5  -9  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -9  22 o 109.7188 2.473184  2529.863       112.7656 2448.406       
148.1919 2641.907       173.8015 107.6776 3.278085 111.7599 3.704150 -4.082344 
4.946369 
1 1 1 -5  -9  23 f 26.87384 4.649965  161.1845       51.86610 152.7626       
69.48126 171.7835       77.94581 26.10663 6.383707 27.64105 6.762913 -1.534420 
9.299931 
1 1 1 -5  -9  24 o 49.23198 3.002565  511.1667       61.26506 484.0665       
79.62676 550.4855       95.91190 47.69634 3.976445 50.76761 4.499941 -3.071266 
6.005130 
1 1 1 -5  -9  25 o 42.90645 3.314252  397.1262       59.39331 411.0923       
80.93668 380.8300       87.42805 43.78639 4.402783 42.02651 4.955055 1.759876 
6.628505 
1 1 1 -5  -9  26 f 62.79553 2.685691  847.2095       69.99295 865.3060       
92.86951 823.4142       106.4931 63.67482 3.473974 61.91624 4.096736 1.758583 
5.371381 
1 1 1 -5  -9  27 o 91.17329 2.571704  1786.984       98.06573 1821.628       
133.8223 1746.803       144.1215 92.22615 3.456173 90.12045 3.809135 2.105705 
5.143408 
1 1 1 -5  -9  28 o 32.05865 6.636839  210.7235       90.14329 425.3774       
173.6545 131.5483       105.4658 40.18810 10.25641 23.92921 8.425951 16.25889 
13.27368 
1 1 1 -5  -9  29 o 54.95295 4.885446  647.0268       98.30849 842.1093       
203.4392 587.5940       112.2894 58.66593 8.259804 51.23996 5.219768 7.425964 
9.770892 
1 1 1 -5  -9  30 o 59.11703 5.397053  906.0048       98.83068 759.9539       
213.2046 945.9769       111.5380 52.66080 10.00490 65.57327 4.051514 -12.91247 
10.79411 
1 1 1 -5  -9  31 o 21.51165 6.346984  101.7642       86.33066 56.07799       
196.5832 112.6804       96.09262 21.74192 9.879072 21.28137 7.971247 0.4605427 
12.69397 
1 1 1 -5  -8  1  o 164.3611 1.613979  5628.963       105.1124 5802.813       
183.0197 5543.395       128.4006 166.2332 2.622414 162.4889 1.882194 3.744293 
3.227957 
1 1 1 -5  -8  2  o 150.6321 1.618376  4686.856       82.46962 4895.681       
184.5952 4634.783       92.18044 152.6823 2.879737 148.5818 1.477727 4.100479 
3.236751 
1 1 1 -5  -8  3  o 111.9054 1.597110  2567.985       59.28141 2730.409       
136.8018 2530.434       65.77822 114.0241 2.857697 109.7867 1.427096 4.237366 
3.194220 
1 1 1 -5  -8  4  o 244.9608 1.472789  12637.55       150.0321 12307.07       
226.8063 12894.67       200.0573 242.1005 2.231416 247.8210 1.922814 -5.720551 
2.945578 
1 1 1 -5  -8  5  o 288.0024 1.863318  17515.32       222.2035 16796.04       
339.9868 18051.65       293.5820 282.8025 2.863518 293.2024 2.384970 -10.39996 
3.726636 
1 1 1 -5  -8  6  o 287.7310 2.183016  17124.68       221.7411 16907.02       
251.8223 17875.95       467.8471 283.7628 2.113780 291.6992 3.820232 -7.936401 
4.366033 
1 1 1 -5  -8  7  o 162.7417 1.807536  5572.728       120.9568 5506.659       
190.8865 5617.053       156.3530 161.9279 2.807855 163.5556 2.276994 -1.627686 
3.615072 
1 1 1 -5  -8  8  o 300.4091 2.765177  18767.02       338.2718 18192.69       
426.0431 19746.67       556.4255 294.2850 3.448312 306.5331 4.323651 -12.24817 
5.530354 
1 1 1 -5  -8  9  o 462.0623 5.675153  45008.47       965.5230 44994.56       
1892.854 45013.36       1122.542 461.5535 9.768233 462.5710 5.780232 -1.017487 
11.35031 
1 1 1 -5  -8  10 o 60.14293 2.365752  759.6121       59.73554 759.6121       
59.73554 0.000000       0.000000 60.14293 2.365752 ?        ?        ? ? 
1 1 1 -5  -8  11 o 35.10452 2.589962  256.8037       37.99501 227.1761       
51.28427 292.8531       56.56987 32.87829 3.715318 37.33076 3.609437 -4.452465 
5.179925 
1 1 1 -5  -8  12 o 147.6563 2.280426  4596.301       129.0454 4618.186       
153.9775 4544.653       236.5428 148.2796 2.473415 147.0329 3.831918 1.246719 
4.560853 
1 1 1 -5  -8  13 o 162.2835 2.539614  5484.803       168.7842 5768.079       
273.4137 5310.381       214.5442 165.6126 3.932312 158.9544 3.214885 6.658234 
5.079228 
1 1 1 -5  -8  14 o 53.96382 1.985457  611.0091       44.94254 646.1720       
64.98536 578.7736       62.22140 55.44989 2.791489 52.47774 2.824136 2.972153 
3.970914 
1 1 1 -5  -8  15 o 208.1522 2.973722  9162.100       252.2015 9283.955       
321.2991 8966.511       407.0600 210.0464 3.643472 206.2581 4.700765 3.788284 
5.947443 
1 1 1 -5  -8  16 o 125.9573 2.266137  3314.574       116.7425 3237.133       
148.3213 3440.663       189.2604 124.0679 2.847507 127.8466 3.526075 -3.778702 
4.532273 
1 1 1 -5  -8  17 o 116.0375 2.089914  2803.192       98.30511 2722.463       
123.0267 2945.773       163.4992 113.7829 2.575391 118.2921 3.292161 -4.509109 
4.179828 
1 1 1 -5  -8  18 o 36.92194 2.860529  298.9565       42.58956 356.6674       
56.92896 225.6014       64.18286 41.15881 3.294515 32.68507 4.677251 8.473740 
5.721058 
1 1 1 -5  -8  19 o 257.7692 3.614680  14157.48       352.6270 14306.97       
417.9178 13787.98       657.0245 260.5504 3.820500 254.9879 6.137380 5.562500 
7.229361 
1 1 1 -5  -8  20 o 23.79512 5.284563  114.9951       57.40212 98.01100       
72.46372 143.6060       94.05146 21.72562 6.999510 25.86463 7.919172 -4.139009 
10.56913 
1 1 1 -5  -8  21 o 127.3380 3.333755  3476.004       173.7453 3218.885       
272.5246 3652.079       225.5211 123.1883 5.269352 131.4877 4.085293 -8.299377 
6.667510 
1 1 1 -5  -8  22 f 149.5868 2.897618  4704.912       181.1203 4438.552       
242.3201 5042.092       272.6374 144.8535 3.984571 154.3200 4.208083 -9.466522 
5.795237 
1 1 1 -5  -8  23 o 37.69991 3.621251  309.5833       55.36115 333.0417       
71.42492 274.2820       87.61842 39.61395 4.294599 35.78587 5.831830 3.828079 
7.242501 
1 1 1 -5  -8  24 f 18.85892 4.981290  60.50523       53.15105 69.81166       
71.00990 48.64840       80.15144 19.27039 6.900870 18.44745 7.185472 0.8229446 
9.962581 
1 1 1 -5  -8  25 o 86.00972 2.540359  1527.475       88.60259 1411.548       
110.0231 1741.375       149.4507 81.60301 3.211432 90.41643 3.937055 -8.813416 
5.080719 
1 1 1 -5  -8  26 o 126.3815 2.676236  3335.548       138.0316 3109.335       
173.3426 3727.544       228.1852 120.8549 3.416349 131.9081 4.120378 -11.05322 
5.352472 
1 1 1 -5  -8  27 o 100.5467 2.731806  2166.195       109.5636 2158.127       
135.3111 2181.557       186.7065 100.6205 3.203082 100.4728 4.426209 0.1476974 
5.463613 
1 1 1 -5  -8  28 o 51.29393 3.203387  571.7368       67.29633 567.0662       
86.12505 579.0592       107.8369 51.22857 4.004409 51.35929 5.001147 
-0.1307220     6.406775 
1 1 1 -5  -8  29 o 18.54753 5.557556  29.60500       75.49364 2.790328       
111.8936 52.01038       102.2810 17.79914 7.810988 19.29592 7.907854 -1.496777 
11.11511 
1 1 1 -5  -8  30 o 33.37809 6.483327  322.2494       94.32882 184.9311       
207.0818 358.2020       105.9603 27.51083 11.25952 39.24535 6.430962 -11.73452 
12.96665 
1 1 1 -5  -8  31 o 26.15151 6.492763  193.6258       88.80540 85.40871       
197.3395 221.1061       99.44372 23.26516 10.27981 29.03787 7.934071 -5.772707 
12.98553 
1 1 1 -5  -8  32 o 65.75338 5.476344  1066.744       120.2678 1245.291       
268.1284 1021.773       134.5639 64.91353 9.838495 66.59323 4.813042 -1.679703 
10.95269 
1 1 1 -5  -7  1  o 23.61501 2.782872  118.6180       25.80740 68.65695       
34.43710 182.6221       38.97754 17.74225 4.589653 29.48776 3.148428 -11.74551 
5.565744 
1 1 1 -5  -7  2  o 71.14836 1.760853  1034.804       51.70879 1218.427       
82.95166 918.1058       66.12932 76.17283 2.593857 66.12390 2.382082 10.04893 
3.521705 
1 1 1 -5  -7  3  o 136.6029 1.653764  3940.269       82.97246 3872.756       
162.7018 3963.998       96.45782 135.7982 2.853772 137.4076 1.672044 -1.609406 
3.307529 
1 1 1 -5  -7  4  o 459.9056 5.306316  44002.12       537.1239 45156.51       
1982.112 43910.63       558.0024 462.5497 10.20683 457.2615 2.906649 5.288177 
10.61263 
1 1 1 -5  -7  5  o 225.2679 1.806858  10660.11       156.9518 10666.28       
187.9270 10645.87       285.3746 225.3911 1.985974 225.1446 3.019081 0.2464752 
3.613716 
1 1 1 -5  -7  6  o 132.3312 1.587994  3666.939       86.90554 3734.409       
135.6792 3620.002       113.1672 133.3576 2.423352 131.3048 2.052867 2.052795 
3.175987 
1 1 1 -5  -7  7  o 212.0577 2.175087  9461.855       192.3760 9602.544       
258.7532 9287.979       287.6581 213.8302 2.882291 210.2852 3.258284 3.544952 
4.350174 
1 1 1 -5  -7  8  o 326.5711 3.523453  22472.70       465.7755 22217.24       
766.1664 22622.46       586.6259 325.0327 5.614578 328.1096 4.258566 -3.076874 
7.046905 
1 1 1 -5  -7  9  o 344.3569 3.522103  24912.42       507.7875 24699.56       
691.4123 25161.68       748.1827 342.7792 4.804450 345.9345 5.151514 -3.155304 
7.044206 
1 1 1 -5  -7  10 o 759.9569 5.317299  121256.0       1528.910 120697.7       
1804.326 122677.5       2879.182 757.4716 5.673743 762.4422 8.994628 -4.970581 
10.63460 
1 1 1 -5  -7  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -7  12 o 92.20142 1.745228  1752.846       65.65006 1920.166       
108.3109 1655.674       82.54046 95.61130 2.698260 88.79154 2.214198 6.819756 
3.490456 
1 1 1 -5  -7  13 o 111.6399 2.124057  2631.792       97.00084 2678.647       
124.5240 2559.482       154.6921 112.9221 2.626607 110.3576 3.338773 2.564491 
4.248114 
1 1 1 -5  -7  14 o 214.5870 3.701191  9670.092       330.1997 9494.098       
435.7143 9907.534       506.0952 212.3478 4.887368 216.8261 5.559576 -4.478333 
7.402381 
1 1 1 -5  -7  15 o 102.2519 2.060695  2192.948       88.36028 2300.087       
128.7953 2097.683       121.4486 104.6053 2.932699 99.89850 2.895708 4.706818 
4.121389 
1 1 1 -5  -7  16 o 191.1371 3.356914  7702.172       269.3086 7461.470       
378.7740 7948.249       382.9807 188.1088 4.796143 194.1655 4.698138 -6.056717 
6.713828 
1 1 1 -5  -7  17 o 33.02292 2.951773  229.8380       40.77404 204.3507       
56.82291 256.8906       58.54189 31.13016 4.347737 34.91568 3.993625 -3.785524 
5.903546 
1 1 1 -5  -7  18 o 48.00857 2.469357  478.6641       49.41373 427.0264       
65.35564 547.5762       75.50011 45.02959 3.457054 50.98755 3.526993 -5.957958 
4.938715 
1 1 1 -5  -7  19 o 100.3849 2.704378  2123.366       113.5180 2119.712       
153.7430 2127.745       168.3232 100.3076 3.650754 100.4623 3.990818 
-0.1547470     5.408756 
1 1 1 -5  -7  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -7  21 o 159.0937 2.985972  5331.587       197.6373 5256.725       
261.6106 5431.119       301.6487 157.8526 3.947522 160.3348 4.481204 -2.482147 
5.971944 
1 1 1 -5  -7  22 o 60.62931 2.804856  775.7418       71.35149 807.0728       
103.0661 746.9062       98.87668 61.80292 3.972172 59.45570 3.961151 2.347214 
5.609712 
1 1 1 -5  -7  23 o 132.5784 2.837888  3704.610       155.8371 3821.790       
242.6133 3622.306       203.3284 134.2707 4.303824 130.8860 3.700206 3.384659 
5.675775 
1 1 1 -5  -7  24 o 19.64303 4.932435  69.75942       54.21583 108.9152       
70.71677 13.92997       84.44157 22.38008 6.869837 16.90598 7.079618 5.474098 
9.864869 
1 1 1 -5  -7  25 o 44.42291 3.360332  412.4611       61.02734 382.9604       
76.82721 462.9047       100.4621 42.38942 4.316966 46.45639 5.150838 -4.066971 
6.720665 
1 1 1 -5  -7  26 o 86.12340 2.501417  1550.780       89.17634 1427.738       
115.1460 1735.184       140.9638 81.98707 3.345217 90.25973 3.719929 -8.272659 
5.002835 
1 1 1 -5  -7  27 o 60.36393 2.829583  768.2308       69.41005 731.8047       
86.90448 832.4048       115.3493 58.55898 3.534840 62.16889 4.419396 -3.609913 
5.659166 
1 1 1 -5  -7  28 o 42.44673 3.579949  402.4832       61.69650 435.2623       
80.05486 354.5369       96.82057 44.87455 4.249215 40.01891 5.762666 4.855637 
7.159898 
1 1 1 -5  -7  29 o 32.54032 4.760987  253.1646       62.32993 277.3694       
79.99871 215.7713       99.43295 35.34268 5.391438 29.73796 7.848591 5.604717 
9.521974 
1 1 1 -5  -7  30 o 114.2673 3.821885  2911.861       182.7338 3240.692       
270.5796 2636.125       247.7732 120.2204 5.360904 108.3142 5.448664 11.90618 
7.643770 
1 1 1 -5  -7  31 o 61.16216 3.737871  846.3116       95.77038 870.8691       
140.8754 825.2098       130.5884 61.86652 5.423760 60.45780 5.144857 1.408714 
7.475742 
1 1 1 -5  -7  32 o 50.89853 4.247777  615.0334       90.45040 688.7050       
132.2242 550.2377       124.0036 53.91726 5.841228 47.87980 6.168832 6.037468 
8.495554 
1 1 1 -5  -6  1  o 201.4094 2.214990  8361.313       171.2147 8908.927       
318.7876 8139.313       202.9739 205.9384 3.687101 196.8804 2.455607 9.057999 
4.429980 
1 1 1 -5  -6  2  o 175.1784 2.019123  6431.090       147.4691 6556.045       
223.0023 6333.979       196.5912 176.6835 3.006315 173.6733 2.696200 3.010223 
4.038245 
1 1 1 -5  -6  3  o 143.6834 2.085525  4339.568       104.0711 4328.727       
222.1885 4342.615       117.7913 143.5502 3.686707 143.8165 1.950857 
-0.2662659     4.171049 
1 1 1 -5  -6  4  o 71.18172 1.641599  1010.915       44.13539 1185.603       
86.18854 948.8265       51.38367 75.13830 2.732179 67.22514 1.820600 7.913162 
3.283198 
1 1 1 -5  -6  5  o 306.4523 2.112269  19765.69       268.2845 19996.89       
353.4315 19451.33       412.1166 308.5833 2.728060 304.3212 3.225588 4.262085 
4.224539 
1 1 1 -5  -6  6  o 155.5951 1.815932  4993.598       113.5096 4787.344       
140.0019 5389.283       193.9135 150.9965 2.208453 160.1937 2.883258 -9.197266 
3.631864 
1 1 1 -5  -6  7  o 373.5593 3.495261  29322.82       545.9189 29232.06       
738.7374 29432.02       810.3085 372.9446 4.718097 374.1741 5.158195 -1.229492 
6.990523 
1 1 1 -5  -6  8  o 231.6861 2.392366  11163.02       189.9849 11082.13       
213.5484 11470.08       416.0592 229.7354 2.214061 233.6369 4.241651 -3.901505 
4.784733 
1 1 1 -5  -6  9  o 308.6142 3.109464  19979.99       400.8047 20357.23       
600.5391 19676.99       538.2154 311.2203 4.596153 306.0082 4.189326 5.212097 
6.218928 
1 1 1 -5  -6  10 o 631.2883 8.081573  84374.73       2092.130 84523.92       
2687.040 84145.07       3333.963 632.5454 10.11821 630.0311 12.60433 2.514282 
16.16315 
1 1 1 -5  -6  11 o 180.1216 2.376510  6837.631       177.6384 6967.247       
235.2970 6665.847       270.8818 182.1240 3.077303 178.1192 3.622348 4.004822 
4.753020 
1 1 1 -5  -6  12 o 319.7600 4.421742  21495.66       593.6036 0.000000       
0.000000 21495.66       593.6036 ?        ?        319.7600 4.421742 ? ? 
1 1 1 -5  -6  13 o 34.36875 3.707399  248.2657       53.49486 248.2657       
53.49486 0.000000       0.000000 34.36875 3.707399 ?        ?        ? ? 
1 1 1 -5  -6  14 o 194.6592 2.582190  8000.003       208.1390 7750.378       
319.3484 8184.352       274.4362 191.9828 3.962083 197.3357 3.312507 -5.352936 
5.164379 
1 1 1 -5  -6  15 o 65.85683 2.101753  916.2651       57.80603 843.6785       
83.85107 982.0065       79.79948 63.35338 3.152535 68.36028 2.780464 -5.006897 
4.203506 
1 1 1 -5  -6  16 o 15.79567 4.103205  35.62708       37.26824 67.32148       
54.14057 7.084215       51.37835 18.30868 6.054500 13.28267 5.539691 5.026016 
8.206409 
1 1 1 -5  -6  17 o 13.93318 4.037395  13.63316       37.71428 5.824798       
55.54653 20.31147       51.37006 13.68145 5.736201 14.18490 5.683154 
-0.5034523     8.074790 
1 1 1 -5  -6  18 o 110.2723 2.219057  2567.197       102.3267 2319.510       
145.4079 2810.199       144.0258 104.9715 3.299419 115.5730 2.968279 -10.60152 
4.438113 
1 1 1 -5  -6  19 o 162.8326 3.707819  5604.666       239.7225 5597.764       
294.5588 5618.203       412.5360 162.8832 4.307415 162.7820 6.036379 0.1011810 
7.415639 
1 1 1 -5  -6  20 o 86.30568 3.224008  1572.335       114.0152 1572.535       
182.2499 1572.207       146.1461 86.25768 5.032578 86.35369 4.031137 
-0.9601593E-01 6.448016 
1 1 1 -5  -6  21 o 95.70689 2.643281  1940.998       103.4850 1978.685       
132.9282 1883.016       164.8793 96.93815 3.266205 94.47562 4.156880 2.462524 
5.286563 
1 1 1 -5  -6  22 o 177.0476 3.408540  6697.241       236.3691 6813.036       
288.0738 6458.656       413.5046 179.6847 3.818684 174.4105 5.647143 5.274216 
6.817080 
1 1 1 -5  -6  23 o 71.96214 2.673273  1092.602       80.47314 1074.896       
108.8696 1113.927       119.4816 71.33849 3.634995 72.58580 3.920762 -1.247314 
5.346547 
1 1 1 -5  -6  24 f 123.9441 3.123821  3256.393       159.3106 3236.939       
205.5674 3285.646       252.0793 123.6171 3.960926 124.2710 4.831572 
-0.6538925     6.247641 
1 1 1 -5  -6  25 o 94.60597 2.575302  1887.266       101.9123 1792.401       
137.1861 2004.090       152.2379 91.98809 3.552217 97.22385 3.729674 -5.235756 
5.150603 
1 1 1 -5  -6  26 o 18.83343 5.025110  51.15910       58.21371 99.77114       
77.59980 -11.41018      88.03783 21.72886 7.248484 15.93799 6.961780 5.790874 
10.05022 
1 1 1 -5  -6  27 o 29.34183 4.924203  200.7910       59.24189 215.9527       
77.09594 178.9310       92.57288 30.90439 6.160310 27.77926 7.683859 3.125130 
9.848407 
1 1 1 -5  -6  28 o 41.90463 3.678167  393.2600       62.47316 434.0952       
81.50109 335.0837       97.27892 44.85935 4.327445 38.94991 5.948854 5.909447 
7.356334 
1 1 1 -5  -6  29 o 25.96537 5.341323  159.1391       60.97215 152.8383       
79.25243 168.2771       95.44223 25.42076 7.135731 26.50998 7.949860 -1.089222 
10.68265 
1 1 1 -5  -6  30 o 51.33881 3.384185  584.5492       71.24357 600.8898       
92.34996 560.5286       111.9676 52.51473 4.188675 50.16289 5.316562 2.351841 
6.768370 
1 1 1 -5  -6  31 o 60.54700 3.346987  763.3666       81.39430 650.8235       
99.07656 997.0149       142.7554 54.37577 4.339969 66.71823 5.096466 -12.34246 
6.693974 
1 1 1 -5  -6  32 o 44.33083 4.888683  476.1680       90.71291 468.5275       
132.4417 482.9197       124.5010 43.73478 7.213050 44.92688 6.600667 -1.192093 
9.777367 
1 1 1 -5  -6  33 o 37.58024 5.630373  413.8719       88.44784 240.5926       
137.6055 535.8604       115.4574 27.87351 9.642724 47.28698 5.815692 -19.41347 
11.26075 
1 1 1 -5  -5  1  o 131.7569 2.263521  3665.964       123.5235 3517.105       
188.8318 3777.304       163.3112 129.4000 3.475856 134.1138 2.900439 -4.713730 
4.527043 
1 1 1 -5  -5  2  o 115.2523 2.032737  2756.463       92.75307 2888.060       
162.3764 2692.726       113.0039 117.2622 3.298268 113.2424 2.376871 4.019806 
4.065475 
1 1 1 -5  -5  3  o 168.6690 2.281151  5928.642       135.2265 6060.403       
285.6573 5890.588       153.5175 169.8431 4.006070 167.4950 2.183117 2.348083 
4.562302 
1 1 1 -5  -5  4  o 23.75694 2.084697  119.8142       20.33338 150.9754       
29.07875 90.00014       28.44325 26.81353 2.583109 20.70034 3.272825 6.113192 
4.169393 
1 1 1 -5  -5  5  o 130.2283 1.387308  3553.528       75.35846 3622.996       
113.7112 3499.124       100.6297 131.3596 2.061877 129.0971 1.856652 2.262482 
2.774616 
1 1 1 -5  -5  6  o 178.7395 2.006601  6716.292       149.9085 6787.104       
203.2433 6631.808       222.0019 179.7775 2.692786 177.7014 2.975683 2.076096 
4.013202 
1 1 1 -5  -5  7  f 337.8845 3.396535  23655.15       387.0585 24567.81       
868.5278 23428.97       432.3672 341.7721 6.052965 333.9970 3.083410 7.775116 
6.793070 
1 1 1 -5  -5  8  o 158.4063 2.101616  5171.942       125.7516 5050.581       
147.5591 5493.933       240.3523 155.0906 2.266217 161.7221 3.539974 -6.631424 
4.203232 
1 1 1 -5  -5  9  o 337.5146 3.981728  23958.90       563.8948 24055.07       
785.2544 23856.51       810.2692 338.2247 5.530013 336.8045 5.730236 1.420135 
7.963457 
1 1 1 -5  -5  10 o 390.7297 4.522133  32163.67       736.4667 31802.90       
1106.866 32450.25       986.5320 388.7024 6.782642 392.7571 5.982851 -4.054718 
9.044266 
1 1 1 -5  -5  11 o 212.7362 2.644261  9489.957       209.9680 9467.942       
245.8056 9549.377       403.8319 212.3238 2.757492 213.1487 4.512726 
-0.8249512     5.288521 
1 1 1 -5  -5  12 f 121.5137 2.091262  3098.895       106.6428 3210.202       
153.3284 2994.597       148.4227 123.6256 2.954168 119.4018 2.960811 4.223816 
4.182524 
1 1 1 -5  -5  13 o 237.1504 3.128252  11841.27       294.1977 11875.34       
361.2919 11774.22       506.8411 237.7201 3.620041 236.5808 5.102858 1.139267 
6.256505 
1 1 1 -5  -5  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -5  15 o 136.8571 2.381483  3962.266       128.5295 4011.769       
157.3607 3863.050       222.7761 138.1822 2.712471 135.5321 3.915142 2.650101 
4.762965 
1 1 1 -5  -5  16 o 158.4649 3.024503  5284.176       201.0978 5329.571       
289.9748 5242.114       279.1258 159.1139 4.340834 157.8159 4.212794 1.297958 
6.049006 
1 1 1 -5  -5  17 o 51.45783 2.388016  557.8152       51.35451 626.6317       
73.31512 491.5259       71.95644 54.58370 3.199275 48.33197 3.546143 6.251736 
4.776033 
1 1 1 -5  -5  18 o 138.9805 3.073424  4084.551       177.9057 4175.390       
238.6056 3970.831       266.9706 140.7675 4.037378 137.1936 4.635010 3.573883 
6.146848 
1 1 1 -5  -5  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -5  20 o 26.30568 4.942118  152.4410       55.55490 143.4598       
78.82619 161.3047       78.30934 25.58265 7.095576 27.02870 6.881202 -1.446053 
9.884236 
1 1 1 -5  -5  21 o 58.73400 2.740024  722.8017       67.35387 671.0826       
91.00941 785.4326       100.1510 56.42691 3.841679 61.04108 3.907995 -4.614174 
5.480048 
1 1 1 -5  -5  22 o 49.71400 3.119825  522.1010       64.66553 523.1434       
86.57002 520.7852       97.26280 49.78803 4.141557 49.63998 4.666984 0.1480484 
6.239650 
1 1 1 -5  -5  23 o 159.9435 3.770862  5414.816       251.5966 5284.280       
335.5707 5582.400       380.2201 157.8390 5.063966 162.0479 5.588724 -4.208969 
7.541723 
1 1 1 -5  -5  24 o 95.61343 2.738556  1932.929       109.7367 1953.122       
160.3847 1915.155       150.4714 96.06246 3.976768 95.16441 3.766175 0.8980560 
5.477112 
1 1 1 -5  -5  25 o 82.41275 2.600032  1433.828       89.49100 1398.498       
119.9305 1478.214       134.4248 81.30138 3.513605 83.52413 3.833439 -2.222755 
5.200065 
1 1 1 -5  -5  26 o 143.4641 3.505561  4408.085       207.4701 4415.572       
269.7692 4397.246       324.5929 143.8770 4.466034 143.0512 5.404661 0.8257751 
7.011121 
1 1 1 -5  -5  27 o 58.60816 2.985231  734.4855       73.45202 735.8057       
103.5614 733.1491       104.1952 58.66547 4.204712 58.55085 4.238729 0.1146202 
5.970462 
1 1 1 -5  -5  28 o 18.33360 5.153715  46.68969       59.27309 41.77762       
82.75435 51.86439       84.93790 17.96878 7.207376 18.69841 7.368638 
-0.7296333     10.30743 
1 1 1 -5  -5  29 o 22.93098 5.435271  113.4922       60.95837 91.52759       
78.71043 146.4108       96.35886 20.77550 7.282679 25.08647 8.070395 -4.310968 
10.87054 
1 1 1 -5  -5  30 o 52.96587 3.282963  602.7916       72.26100 535.9594       
94.35287 697.6009       112.3796 49.52905 4.537495 56.40269 4.745791 -6.873638 
6.565927 
1 1 1 -5  -5  31 o 97.75143 2.805158  2053.242       109.7490 1991.508       
135.2897 2172.053       187.6859 96.13258 3.352086 99.37029 4.498796 -3.237717 
5.610316 
1 1 1 -5  -5  32 o 26.02781 5.729353  163.0137       68.59596 121.7753       
87.05739 230.5403       111.4018 22.42286 7.677498 29.63277 8.506349 -7.209911 
11.45871 
1 1 1 -5  -5  33 o 67.59000 3.785544  1063.272       106.4072 897.1954       
148.4272 1238.878       152.6257 61.66945 5.732770 73.51054 4.945373 -11.84109 
7.571087 
1 1 1 -5  -4  1  o 163.1807 2.589978  5619.464       174.7783 5436.802       
269.2973 5752.402       229.7372 160.8686 3.987325 165.4928 3.306536 -4.624176 
5.179955 
1 1 1 -5  -4  2  o 128.7947 2.126801  3286.939       83.57134 3776.417       
218.3725 3202.949       90.45767 134.0753 3.879451 123.5142 1.744414 10.56112 
4.253601 
1 1 1 -5  -4  3  o 26.84348 2.452605  169.6549       23.83048 111.6446       
39.85452 201.9371       29.73075 22.67526 4.341280 31.01171 2.283500 -8.336454 
4.905210 
1 1 1 -5  -4  4  o 236.2131 2.179973  11452.23       173.4483 11278.29       
193.4024 12167.06       392.0771 231.7679 1.987603 240.6583 3.880536 -8.890396 
4.359946 
1 1 1 -5  -4  5  o 127.4021 1.601885  3390.535       80.69147 3460.256       
140.7690 3356.414       98.47602 128.3670 2.612010 126.4372 1.855140 1.929817 
3.203769 
1 1 1 -5  -4  6  o 219.7948 2.474737  10219.74       220.3671 9866.664       
359.5019 10432.25       278.9106 216.7130 3.951276 222.8766 2.980723 -6.163605 
4.949474 
1 1 1 -5  -4  7  o 353.0406 3.231662  26012.22       445.3268 26680.07       
797.2093 25709.31       536.9055 356.2422 5.330257 349.8391 3.655531 6.403015 
6.463324 
1 1 1 -5  -4  8  o 324.6583 2.833213  22092.04       378.6110 22411.08       
599.5607 21880.44       488.2835 326.5766 4.372897 322.7400 3.603631 3.836548 
5.666426 
1 1 1 -5  -4  9  o 399.9219 4.496192  33637.22       671.7843 33672.70       
1288.186 33623.97       787.3210 399.8643 7.673383 399.9795 4.688513 
-0.1151428     8.992383 
1 1 1 -5  -4  10 o 378.5635 3.174587  29861.76       464.0859 30770.00       
848.0429 29473.48       554.4810 382.5539 5.280149 374.5732 3.525908 7.980774 
6.349174 
1 1 1 -5  -4  11 o 364.1486 3.737029  27829.12       542.7879 27710.26       
669.4852 28057.13       927.2296 363.1119 4.391587 365.1852 6.047769 -2.073303 
7.474058 
1 1 1 -5  -4  12 o 375.7023 4.313107  29764.12       617.5884 29849.36       
733.7313 29556.96       1143.828 376.8210 4.637917 374.5836 7.273328 2.237366 
8.626214 
1 1 1 -5  -4  13 o 150.8704 1.776065  4763.169       111.7196 4641.104       
148.6294 4921.714       169.3890 148.6600 2.381397 153.0809 2.635635 -4.420898 
3.552130 
1 1 1 -5  -4  14 o 231.3210 3.340919  11217.42       314.3778 11105.89       
397.1541 11404.57       514.4708 229.8411 4.115783 232.8009 5.263772 -2.959808 
6.681839 
1 1 1 -5  -4  15 o 285.5287 6.973378  17202.94       835.9340 0.000000       
0.000000 17202.94       835.9340 ?        ?        285.5287 6.973378 ? ? 
1 1 1 -5  -4  16 o 201.0141 3.394695  8474.749       284.1505 8258.536       
376.3366 8761.464       433.3711 198.0778 4.525450 203.9504 5.061235 -5.872589 
6.789389 
1 1 1 -5  -4  17 o 30.37667 3.671679  201.2931       44.99277 236.7353       
62.27461 162.5897       65.07661 33.52692 4.424237 27.22641 5.860974 6.300516 
7.343357 
1 1 1 -5  -4  18 f 130.6606 3.613998  3619.891       179.6373 3642.903       
213.3803 3563.894       332.8535 131.5290 3.864148 129.7921 6.108377 1.736908 
7.227995 
1 1 1 -5  -4  19 o 75.98526 3.339540  1187.591       99.41457 1305.335       
179.4384 1135.442       119.4175 78.56359 5.440204 73.40693 3.874826 5.156662 
6.679079 
1 1 1 -5  -4  20 o 50.81050 3.013006  544.3968       64.25832 530.7590       
89.76551 558.7303       92.02666 50.15805 4.262751 51.46296 4.259317 -1.304916 
6.026012 
1 1 1 -5  -4  21 o 112.3550 2.918352  2653.996       137.1619 2753.097       
204.2805 2572.641       185.0888 114.2424 4.259129 110.4676 3.990857 3.774750 
5.836705 
1 1 1 -5  -4  22 o 160.4258 3.163749  5436.191       212.7999 5382.646       
308.1935 5484.980       294.1841 159.6446 4.598228 161.2070 4.346669 -1.562393 
6.327497 
1 1 1 -5  -4  23 o 83.60944 2.653766  1477.940       92.79272 1633.424       
131.6090 1324.241       130.8517 88.01228 3.561750 79.20659 3.934950 8.805695 
5.307532 
1 1 1 -5  -4  24 o 89.42215 2.736654  1701.914       101.7602 1792.470       
137.1378 1590.964       151.7977 92.13712 3.545223 86.70718 4.169952 5.429947 
5.473308 
1 1 1 -5  -4  25 o 72.28470 2.758630  1106.166       83.70490 1126.677       
119.6539 1086.507       117.1393 72.93977 3.907362 71.62962 3.895212 1.310150 
5.517260 
1 1 1 -5  -4  26 o 79.33210 2.666349  1340.537       88.36846 1468.211       
123.6663 1207.325       126.3197 83.25710 3.537945 75.40710 3.990065 7.850006 
5.332698 
1 1 1 -5  -4  27 o 67.89849 2.885287  985.6030       81.77397 1111.373       
116.0763 861.6819       115.2202 72.27425 3.825436 63.52273 4.320366 8.751526 
5.770574 
1 1 1 -5  -4  28 o 123.5017 2.723176  3252.971       141.0215 3158.324       
193.6850 3359.755       205.7283 121.6249 3.793103 125.3784 3.908340 -3.753548 
5.446352 
1 1 1 -5  -4  29 o 100.7419 2.995446  2184.986       126.2745 2160.769       
171.3717 2213.753       186.7797 100.2308 4.072480 101.2530 4.393826 -1.022194 
5.990892 
1 1 1 -5  -4  30 o 64.72174 3.073794  884.3252       82.06596 781.0991       
104.8036 1047.943       131.9462 60.06681 4.155879 69.37666 4.530067 -9.309849 
6.147588 
1 1 1 -5  -4  31 o 16.25006 4.972154  -0.9790440     62.40350 -32.48158      
82.47145 41.21655       95.44746 14.12917 6.414338 18.37095 7.599049 -4.241774 
9.944308 
1 1 1 -5  -4  32 o 45.99734 3.624867  466.2386       66.97176 446.5627       
82.78001 503.5172       113.9434 45.01408 4.380243 46.98059 5.776860 -1.966511 
7.249733 
1 1 1 -5  -4  33 o 66.31056 3.032036  955.6304       83.16422 851.6918       
106.9903 1114.299       132.1909 62.01405 4.109370 70.60709 4.459378 -8.593040 
6.064072 
1 1 1 -5  -4  34 o 30.82587 5.969907  285.6887       88.30713 151.1366       
134.6073 387.3514       117.0049 23.35426 9.253120 38.29748 7.545789 -14.94322 
11.93981 
1 1 1 -5  -3  1  o 358.4019 4.405865  27010.38       606.9866 26999.55       
724.9512 27035.78       1110.120 358.4240 4.817621 358.3798 7.378151 
0.4425049E-01  8.811730 
1 1 1 -5  -3  2  o 266.3328 2.721220  14895.82       303.7445 14993.33       
443.5178 14809.68       416.8415 267.1477 3.954400 265.5178 3.739370 1.629974 
5.442441 
1 1 1 -5  -3  3  o 290.4971 2.516330  17549.68       297.8012 17023.97       
375.3727 18442.52       489.1866 284.7060 3.140415 296.2881 3.932615 -11.58209 
5.032660 
1 1 1 -5  -3  4  o 61.47408 1.465047  791.4692       37.66581 698.7138       
51.95355 894.2397       54.68646 57.68649 2.145172 65.26168 1.995918 -7.575195 
2.930094 
1 1 1 -5  -3  5  o 67.24760 1.497185  951.7198       42.08648 923.5264       
61.96285 975.8663       57.34372 66.32007 2.225397 68.17513 2.003461 -1.855057 
2.994369 
1 1 1 -5  -3  6  o 142.2292 1.999310  4247.439       119.3608 4129.664       
167.6778 4368.426       169.9486 140.2303 2.848096 144.2281 2.806654 -3.997726 
3.998619 
1 1 1 -5  -3  7  o 346.5311 4.226814  25222.46       612.9191 24872.72       
831.0723 25639.54       907.5673 343.9240 5.755689 349.1381 6.191597 -5.214050 
8.453628 
1 1 1 -5  -3  8  o 220.6311 2.837996  10158.22       248.6245 10018.44       
304.4725 10437.94       430.7125 218.3982 3.320627 222.8639 4.603294 -4.465729 
5.675992 
1 1 1 -5  -3  9  o 277.6334 2.940321  16306.88       319.7623 16509.79       
389.0477 15884.43       561.3635 280.3612 3.305263 274.9056 4.863866 5.455627 
5.880642 
1 1 1 -5  -3  10 o 166.0678 2.443753  5797.455       166.7153 5771.823       
264.3409 5814.384       214.8281 165.7512 3.798645 166.3844 3.075387 
-0.6331482     4.887505 
1 1 1 -5  -3  11 o 87.96234 1.559115  1619.563       57.46696 1706.282       
84.53966 1545.070       78.35355 90.14407 2.233801 85.78062 2.175658 4.363457 
3.118229 
1 1 1 -5  -3  12 o 195.8038 2.531443  8033.658       201.5944 7971.198       
254.7211 8138.366       329.8028 194.8070 3.114450 196.8005 3.991619 -1.993484 
5.062887 
1 1 1 -5  -3  13 o 210.8972 2.503114  9295.429       219.8194 8980.020       
290.6595 9716.880       335.9866 206.7494 3.348585 215.0449 3.721464 -8.295471 
5.006227 
1 1 1 -5  -3  14 o 405.8285 4.340323  34702.71       721.4951 34789.62       
924.7226 34567.48       1153.480 406.6153 5.416875 405.0417 6.783147 1.573547 
8.680646 
1 1 1 -5  -3  15 o 159.1882 2.037180  5248.723       134.3013 4899.482       
173.8408 5765.738       211.5150 152.7200 2.711296 165.6564 3.041263 -12.93645 
4.074359 
1 1 1 -5  -3  16 o 172.7756 3.007171  6243.588       216.2179 6021.244       
285.2285 6543.967       331.5235 169.2004 4.015249 176.3508 4.477731 -7.150360 
6.014341 
1 1 1 -5  -3  17 o 136.0063 8.034133  3920.602       458.7511 3920.602       
458.7511 0.000000       0.000000 136.0063 8.034133 ?        ?        ? ? 
1 1 1 -5  -3  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -3  19 o 108.9274 3.043979  2464.883       135.8546 2343.168       
172.2668 2665.110       220.9487 105.4657 3.890552 112.3892 4.682610 -6.923439 
6.087957 
1 1 1 -5  -3  20 o 111.1410 2.819434  2607.951       131.1677 2548.906       
191.7984 2659.829       179.7824 109.9371 4.155486 112.3450 3.811663 -2.407913 
5.638868 
1 1 1 -5  -3  21 o 57.89055 2.979921  696.4539       71.83218 831.6984       
108.8712 592.1902       95.59148 62.79977 4.129294 52.98133 4.297515 9.818443 
5.959842 
1 1 1 -5  -3  22 o 114.2280 2.869704  2756.925       136.4653 2795.787       
182.3056 2707.397       205.8064 115.1807 3.769998 113.2753 4.327576 1.905434 
5.739408 
1 1 1 -5  -3  23 o 132.8029 2.965549  3690.440       162.3210 3560.528       
208.7919 3888.918       258.0743 129.9358 3.827420 135.6701 4.530870 -5.734360 
5.931098 
1 1 1 -5  -3  24 o 95.57849 2.708926  1898.173       106.6544 1778.982       
136.3830 2085.825       171.1256 91.82067 3.537863 99.33632 4.103250 -7.515648 
5.417853 
1 1 1 -5  -3  25 o 96.11096 2.633150  1928.512       103.5494 1847.832       
131.1762 2061.916       168.6775 93.54617 3.340028 98.67577 4.071625 -5.129601 
5.266300 
1 1 1 -5  -3  26 o 92.42972 2.811440  1809.130       108.7539 1779.255       
147.5105 1844.707       160.9721 91.62782 3.834569 93.23161 4.112525 -1.603783 
5.622880 
1 1 1 -5  -3  27 o 71.92639 2.855719  1101.660       86.13844 1049.245       
122.3696 1153.141       121.2741 70.20177 4.151896 73.65101 3.922024 -3.449242 
5.711438 
1 1 1 -5  -3  28 o 98.37812 2.720509  2069.914       111.1133 2107.900       
147.4179 2019.948       169.0747 99.54838 3.527257 97.20786 4.142841 2.340515 
5.441018 
1 1 1 -5  -3  29 o 102.1995 2.783794  2239.965       119.2932 2277.700       
165.4979 2199.156       172.1083 103.1565 3.821351 101.2426 4.049112 1.913940 
5.567587 
1 1 1 -5  -3  30 o 45.45478 3.866046  455.9212       73.28084 461.4726       
98.56976 449.0618       109.5705 45.89874 5.115215 45.01081 5.798261 0.8879318 
7.732092 
1 1 1 -5  -3  31 o 42.46663 4.047255  406.8623       71.42056 356.2908       
103.3188 453.1426       98.83803 39.68953 6.200465 45.24372 5.203396 -5.554184 
8.094510 
1 1 1 -5  -3  32 o 64.20898 3.010133  871.7631       78.56198 785.4589       
97.65435 1030.089       132.2669 60.09508 3.870560 68.32290 4.611114 -8.227821 
6.020267 
1 1 1 -5  -3  33 o 19.28169 5.430992  63.96209       69.59327 106.7360       
89.06388 -3.099587      111.5191 21.40286 7.722119 17.16051 7.638819 4.242350 
10.86198 
1 1 1 -5  -3  34 o 24.06456 5.467308  125.9584       69.62730 30.56225       
89.53792 271.8925       110.7439 16.67752 7.148013 31.45160 8.274765 -14.77408 
10.93462 
1 1 1 -5  -2  1  o 67.82988 2.071139  969.8101       58.65685 853.1225       
82.97591 1086.371       82.93075 63.73455 3.100974 71.92522 2.746347 -8.190670 
4.142278 
1 1 1 -5  -2  2  o 103.6559 2.053817  2212.795       78.65452 2348.372       
155.7243 2166.362       91.13367 105.7360 3.507959 101.5759 2.137024 4.160126 
4.107633 
1 1 1 -5  -2  3  o 101.7573 1.572579  2176.538       67.10889 2093.156       
95.85941 2256.683       93.98107 99.84319 2.286848 103.6715 2.159247 -3.828262 
3.145158 
1 1 1 -5  -2  4  o 194.5477 2.415536  7939.396       196.7808 8089.288       
290.1126 7811.669       267.8043 196.2425 3.521231 192.8529 3.307596 3.389648 
4.831072 
1 1 1 -5  -2  5  o 296.0735 2.785977  18471.04       342.4095 18801.54       
453.8202 18034.25       521.7312 299.1762 3.613083 292.9709 4.241733 6.205261 
5.571953 
1 1 1 -5  -2  6  o 88.03676 1.449735  1594.521       52.78843 1449.445       
67.94321 1815.476       83.84929 83.08717 1.947749 92.98634 2.147837 -9.899170 
2.899471 
1 1 1 -5  -2  7  f 206.7205 2.186517  8879.619       174.7694 9218.675       
319.2313 8734.502       208.8480 209.4891 3.629653 203.9518 2.439068 5.537277 
4.373034 
1 1 1 -5  -2  8  o 221.7248 1.960060  10342.45       178.9487 10229.27       
281.2961 10419.38       231.9313 220.6952 3.035932 222.7545 2.480013 -2.059311 
3.920121 
1 1 1 -5  -2  9  o 496.2985 6.444723  51834.57       1298.606 51542.83       
1637.685 52328.72       2131.363 494.6969 7.885194 497.9001 10.19615 -3.203247 
12.88945 
1 1 1 -5  -2  10 o 24.54090 3.096974  130.6908       30.78889 153.2056       
42.80156 106.5475       44.32240 27.00491 3.775182 22.07689 4.910498 4.928020 
6.193948 
1 1 1 -5  -2  11 o 135.9722 1.828903  3850.205       99.32283 3779.905       
122.2746 3986.561       170.2923 134.1706 2.170701 137.7738 2.944079 -3.603271 
3.657806 
1 1 1 -5  -2  12 o 308.2178 4.255590  20011.93       549.2914 19583.97       
800.9072 20392.01       754.7745 305.0754 6.253109 311.3603 5.773977 -6.284882 
8.511180 
1 1 1 -5  -2  13 o 367.7539 4.845813  28425.61       746.5992 27714.06       
1018.162 29253.23       1098.061 362.8127 6.684292 372.6951 7.017682 -9.882385 
9.691626 
1 1 1 -5  -2  14 o 224.8641 2.909738  10625.79       274.6653 10493.88       
384.8996 10762.66       392.0703 223.4433 4.102997 226.2850 4.126950 -2.841690 
5.819477 
1 1 1 -5  -2  15 o 111.1695 2.053459  2591.624       95.70102 2515.617       
131.1550 2678.174       139.9568 109.4308 2.854738 112.9082 2.952497 -3.477455 
4.106917 
1 1 1 -5  -2  16 o 93.09502 1.903917  1830.653       73.70251 1741.307       
110.6503 1901.905       98.81340 91.03642 2.895066 95.15363 2.473498 -4.117210 
3.807834 
1 1 1 -5  -2  17 o 119.3329 3.003196  2996.243       148.8304 2994.014       
196.5233 2999.240       227.9014 119.3023 3.923615 119.3636 4.547744 
-0.6130219E-01 6.006391 
1 1 1 -5  -2  18 o 158.8536 5.915790  5329.017       394.5379 0.000000       
0.000000 5329.017       394.5379 ?        ?        158.8536 5.915790 ? ? 
1 1 1 -5  -2  19 o 31.41701 4.377480  216.2322       55.68939 198.3260       
78.24681 234.6129       79.27668 30.03524 6.395697 32.79877 5.978660 -2.763527 
8.754959 
1 1 1 -5  -2  20 o 29.36215 4.840833  190.3360       58.62030 187.5002       
81.94056 193.3088       83.89732 29.13885 6.813088 29.58544 6.878697 
-0.4465847     9.681665 
1 1 1 -5  -2  21 o 79.33826 2.789894  1327.085       92.87653 1329.613       
129.2714 1324.388       133.5264 79.42219 3.876875 79.25432 4.012964 0.1678696 
5.579789 
1 1 1 -5  -2  22 o 115.1915 2.621118  2803.921       124.9577 2846.170       
164.1819 2745.754       192.6450 116.2635 3.363590 114.1196 4.020857 2.143944 
5.242236 
1 1 1 -5  -2  23 o 112.8605 2.748825  2685.369       130.2211 2671.071       
182.1422 2700.320       186.2474 112.5575 3.854404 113.1636 3.920167 
-0.6061401     5.497649 
1 1 1 -5  -2  24 o 63.40168 3.013280  849.1423       80.18594 864.1362       
115.0699 834.9883       111.8008 63.94305 4.286369 62.86031 4.236326 1.082741 
6.026559 
1 1 1 -5  -2  25 o 146.6459 3.102763  4525.446       181.1538 4460.464       
222.5361 4653.099       311.9008 145.3040 3.647907 147.9878 5.020092 -2.683762 
6.205526 
1 1 1 -5  -2  26 o 101.0066 2.814903  2141.461       118.5844 1993.699       
157.1313 2336.970       180.7446 97.02595 3.857410 104.9872 4.100622 -7.961296 
5.629806 
1 1 1 -5  -2  27 o 133.3046 3.303838  3754.043       183.0660 3545.700       
239.8961 4044.521       283.2637 129.0277 4.428550 137.5816 4.904013 -8.553940 
6.607677 
1 1 1 -5  -2  28 o 78.56633 2.806488  1313.699       92.01357 1300.427       
123.2730 1330.397       138.2678 78.18005 3.755718 78.95261 4.171340 
-0.7725677     5.612975 
1 1 1 -5  -2  29 o 50.51994 3.482321  564.0053       71.92177 627.8727       
95.39606 479.8919       109.4771 54.10783 4.199440 46.93204 5.556163 7.175785 
6.964642 
1 1 1 -5  -2  30 o 47.16754 3.583773  484.5074       70.89114 516.1078       
102.5915 455.6300       98.07164 48.65275 5.022557 45.68233 5.113476 2.970421 
7.167546 
1 1 1 -5  -2  31 o 35.37565 4.906749  286.8452       71.33870 159.8031       
95.25552 449.1137       107.6549 25.84211 7.981424 44.90919 5.709782 -19.06708 
9.813498 
1 1 1 -5  -2  32 o 38.69299 4.572875  348.0005       72.20492 306.4198       
101.5671 390.4877       102.6682 35.83782 7.000154 41.54816 5.885795 -5.710335 
9.145749 
1 1 1 -5  -2  33 o 119.9776 3.131742  3142.899       149.8051 3062.010       
184.1817 3301.008       257.4997 118.6279 3.698117 121.3273 5.055212 -2.699364 
6.263484 
1 1 1 -5  -2  34 f 27.37319 5.673618  194.1257       68.16251 172.6597       
87.31142 227.6255       109.0726 25.78017 7.573181 28.96622 8.450248 -3.186045 
11.34724 
1 1 1 -5  -2  35 o 20.36442 5.921618  68.00979       88.24799 175.6859       
126.0569 -35.48129      123.5829 24.52846 9.141265 16.20038 7.529909 8.328087 
11.84324 
1 1 1 -5  -1  1  o 228.7715 3.194829  10756.35       274.5748 10470.53       
320.8631 11538.17       530.6727 223.2700 3.423028 234.2730 5.395424 -11.00302 
6.389657 
1 1 1 -5  -1  2  o 117.9894 1.650060  2933.336       81.23863 2821.336       
120.4433 3026.821       110.0380 115.9138 2.474962 120.0649 2.182970 -4.151115 
3.300120 
1 1 1 -5  -1  3  o 306.7596 2.455140  19764.32       316.1772 19482.66       
445.2617 20050.78       449.0465 304.5547 3.482339 308.9645 3.461815 -4.409729 
4.910280 
1 1 1 -5  -1  4  o 190.1684 1.797923  7574.728       143.1141 7360.930       
193.8880 7830.642       212.1273 187.2296 2.466594 193.1071 2.616492 -5.877579 
3.595847 
1 1 1 -5  -1  5  o 115.5102 1.597327  2770.122       75.27048 2931.878       
123.3902 2674.253       94.99218 118.1625 2.487264 112.8579 2.004826 5.304573 
3.194654 
1 1 1 -5  -1  6  o 80.08617 1.661372  1333.523       55.48837 1459.493       
84.63098 1238.540       73.48827 83.37031 2.417904 76.80202 2.279116 6.568291 
3.322744 
1 1 1 -5  -1  7  o 157.7433 1.818856  5222.456       119.9470 5196.157       
162.1436 5254.244       178.2611 157.3073 2.455115 158.1793 2.684281 
-0.8719940     3.637712 
1 1 1 -5  -1  8  o 59.91933 1.638714  748.2252       41.05620 667.5043       
55.53484 845.5176       60.96941 56.38195 2.346100 63.45670 2.288525 -7.074741 
3.277427 
1 1 1 -5  -1  9  o 443.6644 6.301597  41485.07       1173.592 41013.09       
1642.284 41977.63       1677.702 441.0952 8.868228 446.2336 8.955168 -5.138336 
12.60319 
1 1 1 -5  -1  10 o 384.1584 4.625051  30967.31       701.4402 30805.70       
855.8732 31297.95       1224.171 382.7862 5.325670 385.5305 7.563176 -2.744354 
9.250103 
1 1 1 -5  -1  11 o 53.25444 1.943305  596.8566       43.12266 692.3752       
61.77582 506.0792       60.22311 57.42035 2.562559 49.08854 2.922161 8.331806 
3.886609 
1 1 1 -5  -1  12 o 41.62310 2.308214  364.0433       40.20737 402.9894       
57.51631 326.8209       56.22915 43.80218 3.127637 39.44402 3.395482 4.358158 
4.616428 
1 1 1 -5  -1  13 o 156.6493 2.183495  5185.914       141.7226 4943.994       
215.9315 5368.990       187.8433 153.4117 3.352577 159.8870 2.798361 -6.475311 
4.366990 
1 1 1 -5  -1  14 o 409.5257 4.083418  35063.00       696.2141 33641.60       
919.0306 36977.35       1066.547 399.8976 5.473968 419.1538 6.060766 -19.25623 
8.166836 
1 1 1 -5  -1  15 o 116.3828 1.723190  2844.760       84.19484 2814.144       
118.9536 2875.497       119.1857 115.7550 2.447705 117.0105 2.426164 -1.255531 
3.446380 
1 1 1 -5  -1  16 o 315.7238 5.509863  20287.70       654.4246 22786.13       
1274.105 19392.35       762.7247 328.0536 9.250850 303.3940 5.988001 24.65958 
11.01973 
1 1 1 -5  -1  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  -1  18 o 199.8188 3.367716  8448.643       236.3113 8343.057       
495.1689 8479.782       268.9095 198.8111 5.932445 200.8266 3.189379 -2.015411 
6.735432 
1 1 1 -5  -1  19 o 50.60140 3.033169  533.9697       63.92792 498.6792       
84.26366 581.8278       98.12713 48.65842 4.124804 52.54437 4.448196 -3.885948 
6.066339 
1 1 1 -5  -1  20 o 84.32027 3.564759  1497.092       126.1947 1497.092       
126.1947 0.000000       0.000000 84.32027 3.564759 ?        ?        ? ? 
1 1 1 -5  -1  21 o 162.7082 3.721456  5584.208       251.7636 5707.438       
385.4815 5492.543       332.4669 164.1904 5.592123 161.2260 4.911729 2.964462 
7.442911 
1 1 1 -5  -1  22 o 132.7147 3.238243  3744.093       177.6545 3880.947       
234.2473 3558.802       272.5671 135.6615 4.112814 129.7679 5.002964 5.893585 
6.476487 
1 1 1 -5  -1  23 o 26.10375 5.235045  141.9459       65.41978 229.1034       
92.98846 56.53179       92.05371 32.19105 7.072509 20.01645 7.720259 12.17459 
10.47009 
1 1 1 -5  -1  24 o 116.6017 2.845382  2871.843       139.0867 3056.298       
196.9760 2688.425       196.4219 120.3582 3.898153 112.8452 4.145986 7.512970 
5.690763 
1 1 1 -5  -1  25 o 86.56567 2.773938  1579.205       100.6686 1477.751       
138.4156 1693.132       146.6770 83.61938 3.942750 89.51196 3.903031 -5.892578 
5.547876 
1 1 1 -5  -1  26 o 157.1111 3.458349  5235.206       220.6622 5191.439       
278.3182 5309.281       362.0809 156.4857 4.236314 157.7365 5.467573 -1.250824 
6.916698 
1 1 1 -5  -1  27 o 88.11058 2.747271  1631.362       101.0536 1509.937       
134.4603 1788.965       153.1865 84.39823 3.794739 91.82292 3.973657 -7.424690 
5.494543 
1 1 1 -5  -1  28 o 17.90568 5.241501  24.51359       64.53014 40.64143       
86.10799 3.852247       97.46184 18.36568 7.358037 17.44568 7.466767 0.9200058 
10.48300 
1 1 1 -5  -1  29 o 45.59267 3.799355  450.7644       71.90143 367.5999       
99.56417 541.4088       103.9452 41.08375 5.772369 50.10158 4.941674 -9.017830 
7.598710 
1 1 1 -5  -1  30 o 47.49558 3.679668  502.6638       71.54333 587.5740       
97.44415 403.3683       105.3758 52.18234 4.447882 42.80882 5.863120 9.373524 
7.359336 
1 1 1 -5  -1  31 o 21.11546 5.599149  86.86050       67.20229 77.80791       
93.71178 96.44450       96.42301 20.49272 7.819729 21.73820 8.015841 -1.245480 
11.19830 
1 1 1 -5  -1  32 o 29.03386 5.383684  205.2858       67.79350 259.6354       
96.67765 152.7055       95.09099 32.90386 7.196355 25.16385 8.009288 7.740009 
10.76737 
1 1 1 -5  -1  33 f 27.73642 6.032444  195.7321       76.94209 181.4765       
105.4111 211.9887       112.5660 26.76435 8.422396 28.70850 8.638563 -1.944143 
12.06489 
1 1 1 -5  -1  34 o 97.50009 2.970166  2103.415       121.4284 1971.626       
170.4113 2239.349       173.0711 94.27069 4.305689 100.7295 4.092503 -6.458801 
5.940331 
1 1 1 -5  -1  35 o 31.66646 6.012887  283.0947       82.21748 249.0844       
116.4324 316.9194       116.1144 29.40248 8.773234 33.93043 8.224937 -4.527950 
12.02577 
1 1 1 -5  0   1  o 100.0088 2.017090  2099.500       84.65501 2189.117       
120.9894 2013.547       118.4902 102.0991 2.822581 97.91844 2.882299 4.180664 
4.034181 
1 1 1 -5  0   2  o 389.1042 4.272434  31975.50       597.7041 31580.19       
1211.197 32102.76       687.2090 387.3200 7.448451 390.8884 4.187522 -3.568390 
8.544868 
1 1 1 -5  0   3  o 315.9157 3.169332  20950.67       420.1006 20382.73       
581.8129 21569.31       607.2256 311.4495 4.449558 320.3820 4.514431 -8.932526 
6.338663 
1 1 1 -5  0   4  o 346.2010 3.700504  24937.71       527.4914 23947.87       
676.4188 26473.84       842.6489 337.5644 4.772875 354.8376 5.656374 -17.27322 
7.401007 
1 1 1 -5  0   5  o 124.7271 1.422120  3150.723       71.32985 2892.837       
87.47385 3662.521       123.2292 117.3823 1.774994 132.0720 2.222409 -14.68972 
2.844241 
1 1 1 -5  0   6  o 241.7432 2.182238  12299.20       211.4561 12186.94       
355.9327 12360.44       262.8749 240.8712 3.519687 242.6153 2.580786 -1.744141 
4.364476 
1 1 1 -5  0   7  o 129.7103 2.090959  3503.648       112.9017 3320.148       
148.7125 3753.315       173.4643 125.7376 2.817106 133.6829 3.090688 -7.945290 
4.181918 
1 1 1 -5  0   8  o 259.9247 2.899163  14227.35       311.4859 14386.06       
407.5578 14004.43       483.0052 261.6924 3.709533 258.1570 4.456450 3.535370 
5.798326 
1 1 1 -5  0   9  o 176.8052 1.635254  6494.143       116.2950 6327.948       
144.1336 6804.172       196.8602 173.6050 1.977534 180.0053 2.604915 -6.400360 
3.270509 
1 1 1 -5  0   10 o 100.2244 1.512319  2110.172       63.59382 2025.990       
90.04657 2193.938       89.82432 98.22869 2.183483 102.2201 2.093045 -3.991432 
3.024638 
1 1 1 -5  0   11 o 268.0313 3.229258  14788.79       323.7036 14432.64       
377.4516 15779.06       629.3906 262.1235 3.429859 273.9389 5.472522 -11.81540 
6.458516 
1 1 1 -5  0   12 o 135.5371 2.168907  3863.081       122.9906 3798.656       
180.8165 3918.552       167.7836 134.4808 3.202571 136.5934 2.925775 -2.112579 
4.337813 
1 1 1 -5  0   13 o 55.56043 2.023224  648.0132       47.18074 669.1752       
67.53051 627.8331       65.94502 56.44626 2.849613 54.67459 2.872880 1.771667 
4.046447 
1 1 1 -5  0   14 o 168.8302 1.750673  5984.576       124.0583 5798.623       
174.1334 6176.238       176.7865 166.1670 2.496080 171.4933 2.455403 -5.326370 
3.501345 
1 1 1 -5  0   15 o 50.67775 2.385617  545.0452       49.94673 432.4720       
70.48882 658.5591       70.78276 45.36472 3.701034 55.99077 3.011148 -10.62605 
4.771233 
1 1 1 -5  0   16 o 142.9405 2.380300  4198.914       121.2849 4473.687       
253.5604 4117.396       138.1091 145.8664 4.140446 140.0145 2.349472 5.851898 
4.760600 
1 1 1 -5  0   17 o 128.7765 2.909361  3487.689       156.1560 3490.428       
235.4566 3485.539       208.6427 128.8065 4.354056 128.7465 3.860015 
0.6001282E-01  5.818721 
1 1 1 -5  0   18 o 222.0315 3.462901  10384.11       321.3511 10391.29       
477.6629 10378.17       434.3383 222.0651 5.123448 221.9980 4.660153 
0.6707764E-01  6.925803 
1 1 1 -5  0   19 o 240.0690 3.309071  12060.23       325.9529 12548.59       
523.9316 11751.86       416.3324 243.9118 5.116380 236.2262 4.197911 7.685638 
6.618142 
1 1 1 -5  0   20 f 76.14722 2.752120  1200.900       87.23714 1052.960       
114.8933 1402.303       134.0555 70.70370 3.870557 81.59072 3.913495 -10.88702 
5.504239 
1 1 1 -5  0   21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  0   22 o 34.68954 4.413681  265.3681       61.44213 353.3629       
87.44080 179.5471       86.35399 40.88446 5.094212 28.49462 7.209114 12.38984 
8.827362 
1 1 1 -5  0   23 o 224.2527 5.166617  10718.93       485.3666 10848.61       
667.1681 10573.13       707.4235 225.8112 7.037377 222.6941 7.566443 3.117096 
10.33323 
1 1 1 -5  0   24 o 71.58031 2.958517  1076.752       88.71153 1009.662       
120.7071 1155.551       130.8158 69.16857 4.156666 73.99204 4.211107 -4.823471 
5.917034 
1 1 1 -5  0   25 o 83.91249 2.721626  1487.151       95.85974 1515.407       
135.1202 1458.519       136.0166 84.72153 3.798809 83.10345 3.898466 1.618080 
5.443252 
1 1 1 -5  0   26 o 156.3756 3.967756  5217.369       259.6723 5229.667       
353.8177 5203.011       382.2979 156.6765 5.378942 156.0748 5.834322 0.6016998 
7.935511 
1 1 1 -5  0   27 o 90.88646 2.993245  1753.617       114.1915 1755.198       
159.9485 1751.973       163.0793 90.93867 4.189406 90.83424 4.276322 0.1044312 
5.986489 
1 1 1 -5  0   28 o 66.57222 2.929451  943.4316       81.82922 955.8879       
114.2827 930.3264       117.2213 67.04107 4.060322 66.10337 4.223805 0.9376984 
5.858903 
1 1 1 -5  0   29 o 74.06950 2.775575  1169.160       85.99673 1160.513       
116.5608 1179.490       127.3957 73.81660 3.761139 74.32240 4.082782 
-0.5058060     5.551151 
1 1 1 -5  0   30 o 69.05296 2.909062  1023.536       84.29306 1048.502       
118.4056 997.8810       120.0278 69.93638 4.032645 68.16956 4.193845 1.766823 
5.818123 
1 1 1 -5  0   31 o 53.25024 3.415926  606.4895       75.53172 500.5240       
100.0444 746.9540       115.1845 47.87937 4.976976 58.62111 4.680162 -10.74174 
6.831852 
1 1 1 -5  0   32 o 25.62992 5.955516  156.9226       74.48112 176.3097       
105.2200 137.4525       105.4448 26.89720 8.404938 24.36265 8.439770 2.534550 
11.91103 
1 1 1 -5  0   33 o 57.55974 3.436928  731.6811       82.84937 701.1225       
112.4851 767.9153       122.4862 56.31387 4.757740 58.80560 4.961230 -2.491730 
6.873856 
1 1 1 -5  0   34 o 60.62485 3.506113  807.5491       87.86228 729.6452       
112.9086 927.1459       139.8966 57.19626 4.701977 64.05343 5.202185 -6.857166 
7.012226 
1 1 1 -5  0   35 o 53.60211 4.176424  678.6125       93.63235 604.6945       
128.2883 762.8735       136.9699 50.31541 6.073053 56.88882 5.734815 -6.573406 
8.352848 
1 1 1 -5  1   1  o 207.3387 2.627239  8967.184       214.5201 8850.368       
260.6181 9212.618       377.7647 205.2840 3.023922 209.3933 4.297141 -4.109360 
5.254477 
1 1 1 -5  1   2  o 201.2634 3.078370  8754.861       230.8172 7978.072       
433.8157 9061.597       272.6064 194.8110 5.304115 207.7159 3.125988 -12.90495 
6.156739 
1 1 1 -5  1   3  o 111.3735 1.668058  2604.570       77.99585 2606.071       
110.2551 2603.066       110.3506 111.4056 2.357287 111.3413 2.360691 
0.6429291E-01  3.336115 
1 1 1 -5  1   4  o 296.2449 2.071565  18422.08       257.4105 18622.12       
373.0098 18240.20       355.6754 297.7772 2.983664 294.7126 2.874592 3.064606 
4.143130 
1 1 1 -5  1   5  o 237.7602 3.160758  11720.29       308.6471 11159.32       
393.2021 12620.78       498.1800 230.4682 4.063739 245.0521 4.842269 -14.58386 
6.321515 
1 1 1 -5  1   6  o 174.1416 1.630686  6355.817       118.8337 6229.297       
160.9788 6507.321       176.1574 172.2423 2.226127 176.0408 2.383464 -3.798492 
3.261372 
1 1 1 -5  1   7  o 109.9371 1.836949  2509.288       82.47910 2659.060       
134.8326 2419.733       104.2616 112.5248 2.854089 107.3493 2.313376 5.175491 
3.673899 
1 1 1 -5  1   8  o 72.99113 1.602995  1110.015       48.87312 968.0867       
66.19048 1280.149       72.46960 67.90031 2.321907 78.08194 2.210682 -10.18163 
3.205989 
1 1 1 -5  1   9  o 242.7065 2.757569  12376.37       280.9530 12151.73       
397.2877 12601.10       397.3675 240.5014 3.934672 244.9115 3.864597 -4.410049 
5.515139 
1 1 1 -5  1   10 o 430.3766 2.808980  38762.47       497.2959 39665.56       
790.5859 38171.20       639.7014 434.4736 4.334178 426.2795 3.574406 8.194031 
5.617960 
1 1 1 -5  1   11 o 175.3821 1.782341  6410.396       127.8176 6251.640       
162.2643 6669.958       207.4814 172.5489 2.239917 178.2152 2.773036 -5.666290 
3.564682 
1 1 1 -5  1   12 o 390.2703 5.491780  32084.23       899.6160 32083.83       
1258.811 32084.65       1286.127 390.2824 7.682504 390.2582 7.849695 
0.2420044E-01  10.98356 
1 1 1 -5  1   13 o 235.8577 3.128367  11579.75       299.1129 11275.71       
374.5449 12115.08       496.9831 231.6590 3.851020 240.0565 4.931162 -8.397522 
6.256734 
1 1 1 -5  1   14 o 199.3137 2.839731  8361.718       237.2178 7883.326       
337.9497 8826.359       333.0570 193.6773 4.156179 204.9501 3.870717 -11.27278 
5.679461 
1 1 1 -5  1   15 o 174.5302 3.337008  6444.673       238.6348 6218.289       
377.9813 6594.712       307.7149 171.9316 5.236434 177.1288 4.137904 -5.197144 
6.674016 
1 1 1 -5  1   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  1   17 o 183.3742 2.876250  7019.047       214.9470 7286.975       
351.8118 6859.463       271.5169 186.1081 4.502628 180.6403 3.580168 5.467865 
5.752501 
1 1 1 -5  1   18 f 381.8058 5.760058  30766.59       702.2787 31051.90       
1676.709 30705.89       773.3849 381.7592 10.46139 381.8523 4.824156 
-0.9307861E-01 11.52012 
1 1 1 -5  1   19 o 133.8071 2.505920  3804.474       132.1053 3655.453       
228.4907 3879.301       161.9096 131.7672 4.130308 135.8470 2.838857 -4.079895 
5.011841 
1 1 1 -5  1   20 o 38.35488 3.234948  301.0450       51.29123 368.5533       
81.56010 256.8798       65.96899 41.80412 4.647076 34.90565 4.501583 6.898464 
6.469897 
1 1 1 -5  1   21 o 55.88101 2.754504  681.5605       61.89861 560.7253       
97.53493 763.0466       80.09488 51.54889 4.506734 60.21313 3.168361 -8.664238 
5.509008 
1 1 1 -5  1   22 o 64.87067 4.411099  888.1064       120.1363 0.000000       
0.000000 888.1064       120.1363 ?        ?        64.87067 4.411099 ? ? 
1 1 1 -5  1   23 o 34.01616 4.643652  254.7325       64.32416 332.2351       
91.25874 178.2092       90.68022 39.62236 5.485992 28.40997 7.493858 11.21239 
9.287304 
1 1 1 -5  1   24 o 132.7306 3.493740  3717.055       194.2832 3614.197       
264.9075 3836.773       285.7958 130.7695 4.825128 134.6917 5.054009 -3.922226 
6.987479 
1 1 1 -5  1   25 o 124.6577 3.425709  3289.739       179.2498 3197.122       
251.9192 3384.713       255.1058 122.8723 4.883470 126.4431 4.805586 -3.570824 
6.851419 
1 1 1 -5  1   26 o 70.45302 3.000305  1049.264       88.57918 1077.186       
129.9538 1025.033       121.0585 71.31307 4.340511 69.59296 4.143343 1.720116 
6.000611 
1 1 1 -5  1   27 o 116.8576 2.943965  2894.703       144.2492 2921.203       
209.7722 2870.932       198.6780 117.3374 4.258266 116.3778 4.066311 0.9595184 
5.887930 
1 1 1 -5  1   28 o 127.0562 2.763586  3413.829       147.0980 3229.432       
200.1441 3630.439       216.9235 123.3551 3.864620 130.7573 3.951498 -7.402206 
5.527172 
1 1 1 -5  1   29 o 88.22658 2.961598  1650.610       108.9441 1575.739       
144.5145 1749.175       165.8127 85.98656 4.003150 90.46661 4.365667 -4.480049 
5.923196 
1 1 1 -5  1   30 o 32.12657 5.261881  235.3107       70.24409 174.1265       
94.52932 310.7555       104.9692 27.38926 7.827164 36.86387 7.034564 -9.474611 
10.52376 
1 1 1 -5  1   31 o 63.08607 3.148949  843.2807       82.46835 746.5531       
107.2925 982.9319       128.9188 58.79813 4.346372 67.37402 4.557693 -8.575890 
6.297897 
1 1 1 -5  1   32 o 45.01902 4.195654  455.3012       78.60907 518.8874       
110.9663 391.2458       111.3749 48.40097 5.460823 41.63707 6.371301 6.763901 
8.391309 
1 1 1 -5  1   33 o 72.94331 3.047904  1160.805       93.21618 1122.505       
127.8979 1204.203       136.1433 71.70338 4.248590 74.18324 4.371310 -2.479858 
6.095807 
1 1 1 -5  1   34 o 34.80935 5.898090  310.0941       85.14082 300.4949       
117.8062 320.5907       123.1887 34.28338 8.268477 35.33532 8.413214 -1.051933 
11.79618 
1 1 1 -5  1   35 o 32.43854 6.240911  288.3386       87.66218 253.6269       
121.9802 325.4151       126.0669 30.23565 8.971284 34.64143 8.678246 -4.405788 
12.48182 
1 1 1 -5  1   36 o 33.80159 6.218827  328.9370       89.46067 293.6290       
124.1699 367.0462       129.0014 31.63143 8.948904 35.97175 8.637843 -4.340319 
12.43765 
1 1 1 -5  2   1  o 164.8140 2.184626  5752.425       140.0555 5577.780       
248.8049 5833.435       169.4528 162.9521 3.636805 166.6759 2.421570 -3.723816 
4.369251 
1 1 1 -5  2   2  o 357.9854 2.772733  26882.01       415.1645 26470.80       
561.3266 27378.60       616.8566 354.9785 3.766471 360.9922 4.070123 -6.013702 
5.545467 
1 1 1 -5  2   3  o 22.45967 2.725808  115.0980       23.82239 158.2901       
32.71622 66.35158       34.75615 27.45448 2.838382 17.46485 4.654429 9.989628 
5.451617 
1 1 1 -5  2   4  o 350.7921 4.889116  25897.26       719.7500 25794.14       
1031.623 25995.07       1004.672 350.0986 7.018622 351.4856 6.808288 -1.386993 
9.778233 
1 1 1 -5  2   5  o 110.6362 1.585828  2520.729       72.09432 2346.436       
91.62642 2804.017       116.8141 105.7140 2.064473 115.5584 2.407770 -9.844360 
3.171657 
1 1 1 -5  2   6  o 242.8363 1.946718  12344.21       192.5891 12223.03       
243.8473 12545.13       313.9838 241.2684 2.407347 244.4042 3.059987 -3.135864 
3.893436 
1 1 1 -5  2   7  o 389.7139 3.037063  31910.77       496.8571 31832.34       
697.1522 31991.73       708.3046 389.2297 4.266214 390.1980 4.323705 
-0.9682617     6.074126 
1 1 1 -5  2   8  o 247.0729 2.583084  12548.41       259.3369 11798.48       
323.7637 13890.98       433.1989 237.0113 3.253720 257.1345 4.012805 -20.12317 
5.166168 
1 1 1 -5  2   9  o 490.2999 4.203351  50494.54       851.9611 50203.44       
1110.242 50911.45       1328.676 488.6612 5.411665 491.9385 6.433236 -3.277313 
8.406702 
1 1 1 -5  2   10 o 413.4277 6.083853  35996.89       1055.296 35367.28       
1461.478 36682.79       1525.403 409.6733 8.497196 417.1821 8.709232 -7.508850 
12.16771 
1 1 1 -5  2   11 o 544.3770 6.097371  62320.73       1344.813 61923.13       
1690.530 63005.95       2219.322 542.3048 7.425069 546.4490 9.673680 -4.144226 
12.19474 
1 1 1 -5  2   12 f 101.4371 2.016154  2159.731       85.83738 2100.810       
119.7736 2221.948       123.0787 100.0155 2.852427 102.8588 2.850116 -2.843224 
4.032308 
1 1 1 -5  2   13 f 364.7296 4.565102  27915.79       688.6321 27540.04       
896.8007 28455.68       1074.983 361.8232 5.903650 367.6360 6.964736 -5.812805 
9.130204 
1 1 1 -5  2   14 o 224.9855 3.203123  10631.21       298.8956 10696.99       
460.5386 10583.33       392.8818 225.5631 4.863165 224.4079 4.170085 1.155243 
6.406246 
1 1 1 -5  2   15 o 292.4402 6.148663  18054.27       753.0630 18064.42       
1029.827 18042.59       1104.025 292.5863 8.383611 292.2942 8.996627 0.2921448 
12.29733 
1 1 1 -5  2   16 o 184.4958 3.324960  7181.026       240.9418 7096.874       
422.3344 7221.632       293.3673 183.6284 5.478196 185.3632 3.769722 -1.734772 
6.649920 
1 1 1 -5  2   17 o 57.24683 2.493733  704.2581       58.42769 603.1232       
89.20966 780.2287       77.31866 53.55721 3.967482 60.93646 3.022235 -7.379246 
4.987466 
1 1 1 -5  2   18 o 314.9012 5.798228  20782.28       695.0410 21516.00       
1302.066 20489.91       821.9385 318.1811 9.747199 311.6214 6.282509 6.559662 
11.59646 
1 1 1 -5  2   19 o 130.9037 2.733991  3609.419       146.6453 3589.718       
234.1372 3622.136       188.1119 130.5742 4.271044 131.2331 3.414238 
-0.6588898     5.467983 
1 1 1 -5  2   20 o 196.4512 3.261001  8185.465       264.3499 7858.001       
409.2508 8419.912       346.2835 192.9743 5.051392 199.9280 4.125525 -6.953644 
6.522002 
1 1 1 -5  2   21 o 81.12286 2.220867  1377.960       73.78851 1415.725       
118.8920 1354.300       94.10604 82.00172 3.453430 80.24402 2.793354 1.757698 
4.441734 
1 1 1 -5  2   22 o 109.2266 2.266982  2411.359       97.61189 2800.357       
175.9969 2238.541       117.3076 115.2909 3.636062 103.1623 2.708484 12.12862 
4.533964 
1 1 1 -5  2   23 o 67.49442 2.935177  959.1901       82.95110 940.8358       
112.7927 980.8109       122.4188 66.80186 4.021734 68.18697 4.276297 -1.385101 
5.870355 
1 1 1 -5  2   24 o 113.8116 4.200417  2732.668       200.7049 2732.668       
200.7049 0.000000       0.000000 113.8116 4.200417 ?        ?        ? ? 
1 1 1 -5  2   25 o 106.5543 2.911231  2395.229       130.1776 2467.863       
187.4836 2327.614       180.8912 108.1107 4.130624 104.9978 4.103537 3.112930 
5.822462 
1 1 1 -5  2   26 f 177.1544 3.694312  6666.559       274.7099 6480.766       
385.1790 6858.897       391.9052 174.6311 5.253662 179.6777 5.195268 -5.046585 
7.388625 
1 1 1 -5  2   27 o 18.69280 5.498017  13.07624       73.81109 -43.16831      
109.3493 60.15187       100.0401 16.78609 7.515516 20.59951 8.026816 -3.813423 
10.99603 
1 1 1 -5  2   28 o 71.67844 2.991222  1090.343       89.93304 1157.006       
129.7199 1028.648       124.7923 73.79391 4.187040 69.56297 4.272977 4.230942 
5.982444 
1 1 1 -5  2   29 o 107.8701 3.093585  2478.741       139.9434 2636.850       
203.1126 2335.855       193.0874 111.1469 4.352720 104.5933 4.397148 6.553589 
6.187171 
1 1 1 -5  2   30 o 23.37653 5.908673  110.9030       73.81262 91.39893       
106.0058 129.2594       102.8398 22.29093 8.367789 24.46212 8.344445 -2.171190 
11.81735 
1 1 1 -5  2   31 o 21.10595 5.499522  83.46281       64.76597 56.84560       
88.03794 114.8598       95.61652 19.12815 7.513349 23.08374 8.032968 -3.955587 
10.99904 
1 1 1 -5  2   32 o 27.09141 5.833544  174.6490       75.18334 232.2494       
105.0473 114.1578       107.6511 30.99091 8.015626 23.19191 8.477658 7.798998 
11.66709 
1 1 1 -5  2   33 o 79.31306 3.038923  1369.373       101.0644 1323.394       
138.7592 1421.323       147.4937 77.93682 4.240726 80.68931 4.353901 -2.752487 
6.077846 
1 1 1 -5  2   34 o 48.81855 4.493866  555.9814       90.94174 601.5854       
123.4221 501.8117       134.5147 51.46177 5.712543 46.17533 6.938745 5.286438 
8.987732 
1 1 1 -5  2   35 o 54.21971 4.409912  693.1015       99.87667 757.3040       
140.3366 627.2056       142.1753 57.11930 5.852064 51.32013 6.598684 5.799168 
8.819823 
1 1 1 -5  2   36 o 28.66288 6.066998  229.3242       87.04329 112.1014       
120.3626 357.8425       126.0283 21.49634 8.663131 35.82943 8.496119 -14.33308 
12.13400 
1 1 1 -5  3   1  o 128.4596 2.607098  3528.097       133.6439 3260.921       
222.8368 3678.179       167.0140 124.5789 4.260527 132.3402 3.005952 -7.761284 
5.214196 
1 1 1 -5  3   2  o 225.3485 2.549845  10622.23       239.7810 10282.37       
319.7503 11058.92       362.4532 221.2538 3.442241 229.4431 3.762686 -8.189331 
5.099689 
1 1 1 -5  3   3  o 178.8779 2.202766  6718.290       165.3893 6802.794       
236.9168 6637.963       230.9875 179.9742 3.135499 177.7816 3.094730 2.192596 
4.405532 
1 1 1 -5  3   4  o 263.4644 2.798015  14200.95       286.8348 13607.47       
342.5969 15592.12       524.5311 254.5366 3.205932 272.3922 4.586671 -17.85565 
5.596030 
1 1 1 -5  3   5  o 145.5141 2.173420  4440.670       132.6119 4328.016       
182.1775 4567.643       193.4091 143.5550 3.022716 147.4732 3.123812 -3.918198 
4.346840 
1 1 1 -5  3   6  o 168.0414 2.456461  5933.397       172.5684 5908.390       
255.8277 5954.276       233.7597 167.7115 3.633338 168.3713 3.306912 
-0.6597900     4.912923 
1 1 1 -5  3   7  o 303.7524 2.225122  19341.42       282.4819 19007.97       
380.3186 19751.75       421.8867 300.8442 3.011112 306.6605 3.276869 -5.816254 
4.450243 
1 1 1 -5  3   8  o 110.4972 1.890521  2564.222       87.69231 2605.448       
123.8890 2522.829       124.1427 111.3877 2.649211 109.6067 2.697770 1.781013 
3.781043 
1 1 1 -5  3   9  o 324.2579 3.517814  22043.78       476.4925 22643.52       
714.5547 21563.54       639.4135 328.2011 5.185809 320.3148 4.754731 7.886292 
7.035629 
1 1 1 -5  3   10 o 136.4092 2.008824  3908.994       114.8145 3887.222       
167.5106 3928.287       157.6795 136.0489 2.932704 136.7695 2.746040 
-0.7206116     4.017648 
1 1 1 -5  3   11 o 474.8616 4.413723  47489.23       878.2802 46474.52       
1273.904 48408.52       1212.520 469.9861 6.456136 479.7372 6.020140 -9.751099 
8.827445 
1 1 1 -5  3   12 o 43.39318 2.395606  397.5473       42.30994 533.3201       
61.86988 278.2730       57.98907 50.39217 2.924403 36.39418 3.795205 13.99799 
4.791213 
1 1 1 -5  3   13 f 535.6407 7.925747  60575.21       1779.847 58689.79       
2440.196 62718.52       2601.730 526.8142 11.03287 544.4672 11.38182 -17.65302 
15.85149 
1 1 1 -5  3   14 o 237.8251 3.143326  11892.19       273.1736 11880.81       
541.9653 11896.06       316.2908 237.6732 5.431408 237.9770 3.165721 
-0.3038025     6.286652 
1 1 1 -5  3   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  3   16 o 242.8957 4.350862  12409.76       424.4384 12476.90       
713.7737 12373.03       527.9137 243.2898 6.988078 242.5017 5.185244 0.7880859 
8.701723 
1 1 1 -5  3   17 o 114.4780 2.170001  2779.274       100.2533 2658.617       
164.6339 2850.384       126.3892 112.4689 3.486646 116.4872 2.584358 -4.018349 
4.340001 
1 1 1 -5  3   18 o 181.7483 3.218122  6825.776       216.4204 7220.525       
427.0006 6689.315       251.0559 185.1116 5.494346 178.3850 3.352224 6.726532 
6.436244 
1 1 1 -5  3   19 o 228.1248 4.081210  10913.89       373.5347 11211.12       
632.7772 10754.91       462.7671 230.3239 6.543843 225.9257 4.878855 4.398209 
8.162420 
1 1 1 -5  3   20 f 86.55196 2.305317  1543.905       81.46754 1709.519       
134.3695 1447.640       102.4440 90.13098 3.550976 82.97292 2.940837 7.158058 
4.610635 
1 1 1 -5  3   21 o 48.69292 2.761380  513.9260       54.51295 433.3474       
84.94070 570.3573       71.08300 45.32674 4.463570 52.05911 3.252296 -6.732368 
5.522761 
1 1 1 -5  3   22 o 137.0808 2.352856  3953.277       134.3421 3981.982       
203.4855 3931.098       178.8638 137.4964 3.525034 136.6653 3.117348 0.8310394 
4.705712 
1 1 1 -5  3   23 o 55.68161 2.684162  642.8298       61.29099 701.2501       
99.58861 607.2108       77.76244 57.66635 4.113470 53.69687 3.449388 3.969479 
5.368324 
1 1 1 -5  3   24 o 63.61799 3.080460  854.3824       82.24185 829.5521       
116.6453 878.9272       115.9727 62.69271 4.431709 64.54327 4.279824 -1.850559 
6.160920 
1 1 1 -5  3   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  3   26 o 37.56366 4.774674  306.9025       73.59617 311.8225       
101.4326 301.4328       106.9476 38.22089 6.321174 36.90643 7.157710 1.314468 
9.549348 
1 1 1 -5  3   27 o 142.3697 3.743851  4311.719       223.1682 4225.794       
303.3343 4413.107       329.5022 140.8914 5.128118 143.8480 5.456014 -2.956604 
7.487702 
1 1 1 -5  3   28 o 82.71213 3.031957  1453.068       105.1136 1460.139       
153.2519 1446.786       144.4449 82.87487 4.404576 82.54939 4.167825 0.3254852 
6.063914 
1 1 1 -5  3   29 o 16.77353 5.112940  -24.47444      70.12826 46.61774       
95.55810 -107.4552      103.2394 19.40209 7.760431 14.14497 6.659154 5.257115 
10.22588 
1 1 1 -5  3   30 o 170.7653 3.698831  6300.973       260.5684 6301.219       
338.7928 6300.616       407.7000 171.2279 4.712819 170.3028 5.702168 0.9250946 
7.397661 
1 1 1 -5  3   31 o 48.75470 3.730824  521.6942       75.65480 559.4526       
102.9422 477.3486       111.5609 50.83284 4.823586 46.67655 5.692909 4.156296 
7.461648 
1 1 1 -5  3   32 o 68.97704 2.989381  1024.235       86.39211 952.1673       
117.9523 1107.639       126.8906 66.36753 4.233230 71.58653 4.222009 -5.219002 
5.978762 
1 1 1 -5  3   33 o 71.48608 3.229704  1118.255       94.63014 1120.388       
121.6091 1114.981       150.6662 71.89199 4.029087 71.08016 5.048803 0.8118286 
6.459408 
1 1 1 -5  3   34 o 32.35928 5.868392  266.4290       80.29873 285.4735       
109.2649 244.0653       118.4040 33.92718 7.825204 30.79138 8.747472 3.135798 
11.73678 
1 1 1 -5  3   35 o 46.18601 4.563321  504.5355       87.60072 530.9367       
118.4950 472.7160       130.0870 47.94353 5.886961 44.42849 6.974187 3.515045 
9.126642 
1 1 1 -5  3   36 o 46.24543 4.779855  528.9246       92.43723 493.1932       
132.4765 562.8278       129.0431 44.34626 7.115458 48.14460 6.384224 -3.798336 
9.559711 
1 1 1 -5  4   1  o 111.8744 2.125609  2583.728       85.35441 2715.044       
176.1041 2543.408       97.58239 113.6875 3.689586 110.0612 2.111827 3.626389 
4.251218 
1 1 1 -5  4   2  o 427.4246 5.846679  38469.19       1047.912 38783.96       
1522.504 38185.84       1444.514 429.0519 8.452198 425.7974 8.080530 3.254547 
11.69336 
1 1 1 -5  4   3  o 149.0197 2.025762  4620.006       124.0203 4869.667       
199.1876 4461.945       158.4892 152.2710 3.115774 145.7683 2.589749 6.502731 
4.051525 
1 1 1 -5  4   4  o 89.94704 1.644623  1698.417       62.06057 1708.614       
89.61481 1689.021       86.02879 90.20594 2.366278 89.68814 2.284703 0.5177994 
3.289246 
1 1 1 -5  4   5  o 308.7162 3.832758  20000.39       496.0688 19392.91       
680.1824 20690.68       725.0607 303.7246 5.334166 313.7078 5.505163 -9.983154 
7.665516 
1 1 1 -5  4   6  o 147.2614 2.176779  4498.314       131.9743 4284.811       
168.9621 4832.396       211.3550 142.8409 2.817460 151.6818 3.318945 -8.840942 
4.353559 
1 1 1 -5  4   7  f 314.0987 2.354637  20556.54       301.8614 20039.82       
382.0095 21415.58       492.5474 308.9049 2.945577 319.2924 3.674349 -10.38751 
4.709274 
1 1 1 -5  4   8  o 149.5965 2.135028  4557.840       128.8472 4221.969       
158.8542 5203.728       220.2881 141.7922 2.668501 157.4007 3.333538 -15.60855 
4.270055 
1 1 1 -5  4   9  o 120.2062 1.881939  3031.151       94.84242 2812.354       
131.9835 3264.767       136.3793 115.7246 2.716533 124.6877 2.605229 -8.963097 
3.763877 
1 1 1 -5  4   10 o 192.6856 2.231438  7794.966       174.1672 7809.296       
287.0019 7786.614       219.1289 192.8122 3.545449 192.5591 2.710546 0.2531586 
4.462876 
1 1 1 -5  4   11 o 39.83920 2.441218  326.8867       40.01117 434.5599       
61.00449 245.6036       53.00394 45.48602 3.194515 34.19238 3.692324 11.29364 
4.882436 
1 1 1 -5  4   12 o 312.6605 2.318942  20576.42       302.2969 20151.95       
452.4763 20918.63       406.2712 309.7298 3.479637 315.5912 3.066283 -5.861389 
4.637884 
1 1 1 -5  4   13 o 319.2109 4.253526  21502.55       567.0211 20724.22       
837.5192 22161.21       770.4505 313.8205 6.356741 324.6014 5.653475 -10.78085 
8.507052 
1 1 1 -5  4   14 o 254.8824 3.701485  13613.87       335.8026 13752.10       
694.4463 13571.69       383.6366 255.6035 6.471320 254.1611 3.595273 1.442398 
7.402970 
1 1 1 -5  4   15 o 398.3715 8.582684  34053.63       1198.122 32970.02       
2501.375 34376.25       1364.878 393.0246 15.15933 403.7184 8.052607 -10.69379 
17.16537 
1 1 1 -5  4   16 o 254.6472 3.715064  13536.07       326.4927 13834.09       
707.1234 13455.32       368.0757 256.2468 6.572911 253.0475 3.464625 3.199326 
7.430127 
1 1 1 -5  4   17 o 164.7537 2.301330  5750.940       150.9898 5554.027       
255.9620 5856.028       186.9883 162.5441 3.750812 166.9633 2.667562 -4.419235 
4.602659 
1 1 1 -5  4   18 o 116.7975 2.354647  2857.434       112.4312 2911.594       
181.7287 2823.848       143.1066 117.6733 3.678464 115.9216 2.940468 1.751755 
4.709294 
1 1 1 -5  4   19 o 78.45001 2.142891  1294.583       69.04285 1289.667       
109.5643 1297.820       88.91925 78.31487 3.332315 78.58516 2.695109 
-0.2702942     4.285783 
1 1 1 -5  4   20 o 57.41121 2.425929  685.3771       57.69180 741.3237       
90.58632 647.2001       74.83012 59.35139 3.635405 55.47102 3.213153 3.880375 
4.851857 
1 1 1 -5  4   21 o 108.6471 2.391369  2502.406       108.1019 2323.209       
160.4754 2651.278       146.2687 105.0376 3.639022 112.2567 3.103562 -7.219032 
4.782738 
1 1 1 -5  4   22 o 63.39223 2.470093  836.9711       64.78996 899.8232       
102.0462 794.5243       83.86098 65.35008 3.719390 61.43437 3.251394 3.915714 
4.940185 
1 1 1 -5  4   23 o 184.3425 3.296668  6916.737       220.2767 7693.444       
453.4718 6676.867       252.0056 190.6137 5.666531 178.0714 3.370832 12.54233 
6.593336 
1 1 1 -5  4   24 o 177.1734 2.395831  6595.093       166.0987 6651.699       
294.6813 6568.734       201.0855 177.6293 3.951472 176.7176 2.710330 0.9117584 
4.791662 
1 1 1 -5  4   25 o 170.8785 2.610687  5959.802       135.2637 6442.769       
350.7278 5875.416       146.6052 174.5708 4.785415 167.1862 2.088671 7.384552 
5.221374 
1 1 1 -5  4   26 o 21.22032 8.112156  68.24818       101.0028 0.000000       
0.000000 68.24818       101.0028 ?        ?        21.22032 8.112156 ? ? 
1 1 1 -5  4   27 o 76.22638 3.009614  1231.066       96.31199 1245.057       
136.4865 1217.189       135.9266 76.66033 4.240726 75.79242 4.271691 0.8679123 
6.019228 
1 1 1 -5  4   28 o 56.69596 3.403888  679.2489       80.70581 615.7761       
108.7542 757.0475       120.4032 53.77040 4.817523 59.62152 4.810122 -5.851112 
6.807775 
1 1 1 -5  4   29 o 113.4495 2.800456  2733.052       132.5535 2715.511       
177.5768 2755.124       199.1987 113.1141 3.739301 113.7849 4.169872 
-0.6708069     5.600912 
1 1 1 -5  4   30 o 36.30862 4.860066  294.6825       72.22507 355.6472       
104.5051 238.9372       99.93163 40.38869 6.163097 32.22857 7.516464 8.160122 
9.720133 
1 1 1 -5  4   31 o 53.41982 3.661405  619.7127       82.10802 630.0427       
116.1940 609.4097       116.0427 53.87862 5.136750 52.96103 5.218940 0.9175911 
7.322809 
1 1 1 -5  4   32 o 14.79720 4.831709  -63.98243      70.31923 -61.26145      
96.18809 -67.10608      103.0600 14.58354 6.726275 15.01086 6.938219 
-0.4273205     9.663419 
1 1 1 -5  4   33 o 28.84954 6.039045  203.1224       78.41344 174.2027       
106.6718 237.1205       115.6593 26.78750 8.478626 30.91158 8.601928 -4.124077 
12.07809 
1 1 1 -5  4   34 o 21.26912 5.715209  72.82191       78.78472 163.7275       
107.4346 -32.93964      115.8811 25.76972 8.528819 16.76851 7.610104 9.001209 
11.43042 
1 1 1 -5  4   35 o 47.23892 4.852038  528.3045       95.60038 604.6738       
137.8294 457.4984       132.7144 50.83513 6.458013 43.64271 7.243147 7.192425 
9.704077 
1 1 1 -5  4   36 o 31.32140 6.281040  274.8147       86.57325 294.0167       
122.5190 255.6665       122.3474 32.55302 8.767618 30.08977 8.996372 2.463255 
12.56208 
1 1 1 -5  4   37 o 20.10418 5.937091  83.65140       84.60400 49.33076       
123.6359 113.8755       116.0229 18.85745 8.243429 21.35092 8.546465 -2.493471 
11.87418 
1 1 1 -5  5   1  o 157.7577 2.211797  5245.269       145.2632 5075.999       
218.1612 5380.092       194.7011 155.4576 3.342618 160.0578 2.897428 -4.600235 
4.423594 
1 1 1 -5  5   2  o 99.29311 1.764305  2043.224       72.52791 2227.496       
114.2384 1918.793       93.87403 102.9927 2.641963 95.59357 2.339041 7.399086 
3.528609 
1 1 1 -5  5   3  o 41.30383 1.903254  358.7264       32.82230 311.5159       
45.87135 408.2554       46.98415 38.51465 2.836851 44.09300 2.538065 -5.578350 
3.806508 
1 1 1 -5  5   4  o 132.0445 2.196156  3598.417       119.7655 3334.485       
153.8288 4004.638       190.8415 126.0073 2.907790 138.0817 3.291984 -12.07447 
4.392311 
1 1 1 -5  5   5  o 77.21925 1.748645  1246.230       56.50361 1114.434       
77.26198 1397.766       82.84633 72.85030 2.526129 81.58819 2.418617 -8.737885 
3.497289 
1 1 1 -5  5   6  o 186.1934 2.411577  7245.223       186.6382 7034.818       
245.5548 7533.056       287.2046 183.0152 3.195819 189.3715 3.612417 -6.356247 
4.823154 
1 1 1 -5  5   7  o 124.2802 1.570004  3218.181       80.83381 3391.768       
126.3265 3097.829       105.1873 127.0941 2.367502 121.4664 2.062663 5.627647 
3.140007 
1 1 1 -5  5   8  o 173.3871 2.438288  6309.691       177.3918 6173.601       
245.8826 6457.411       256.1734 171.4399 3.416151 175.3342 3.480074 -3.894363 
4.876576 
1 1 1 -5  5   9  o 522.5834 5.238904  57238.12       1105.552 56570.02       
1381.666 58427.17       1843.237 518.5660 6.346291 526.6009 8.337208 -8.034912 
10.47781 
1 1 1 -5  5   10 o 201.9676 2.374591  8362.281       190.7655 7956.816       
232.3078 9201.831       334.2798 194.6481 2.842725 209.2871 3.804424 -14.63899 
4.749181 
1 1 1 -5  5   11 o 112.5632 1.710828  2615.130       79.79519 2397.745       
103.2725 2937.180       125.6989 106.8595 2.301934 118.2669 2.531566 -11.40747 
3.421655 
1 1 1 -5  5   12 o 238.3874 2.536122  11898.52       249.2028 11733.92       
322.0159 12144.28       393.4814 236.3549 3.245142 240.4199 3.898297 -4.064941 
5.072244 
1 1 1 -5  5   13 o 331.5649 4.253696  23092.86       564.2599 23246.20       
957.3010 23011.23       698.4962 332.2965 6.861890 330.8332 5.028935 1.463348 
8.507393 
1 1 1 -5  5   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  5   15 o 271.8734 3.494302  15148.17       300.8784 16152.94       
737.1331 14947.31       329.5838 276.9879 6.338787 266.7588 2.942850 10.22910 
6.988604 
1 1 1 -5  5   16 o 128.8091 2.282016  3377.168       105.4406 3696.505       
219.8127 3281.729       120.1683 132.6124 3.948114 125.0059 2.289710 7.606560 
4.564031 
1 1 1 -5  5   17 o 232.3882 2.808816  11355.60       249.5561 11351.78       
460.5666 11357.18       296.9216 232.2843 4.722736 232.4922 3.041967 
-0.2079010     5.617633 
1 1 1 -5  5   18 o 89.81506 2.182856  1644.925       78.54773 1861.250       
136.2334 1537.202       96.13582 94.09388 3.448603 85.53625 2.677048 8.557632 
4.365713 
1 1 1 -5  5   19 o 189.7525 3.419238  7562.633       261.4483 7665.204       
437.2477 7505.552       326.1825 190.6582 5.462521 188.8467 4.114076 1.811508 
6.838476 
1 1 1 -5  5   20 f 312.1918 5.223960  20521.02       657.9780 21209.26       
1101.904 20139.63       820.2722 315.8074 8.310795 308.5762 6.331646 7.231201 
10.44792 
1 1 1 -5  5   21 o 177.2930 3.047714  6530.360       204.3515 6848.825       
388.4369 6408.490       240.2916 180.0786 5.137825 174.5074 3.279788 5.571213 
6.095429 
1 1 1 -5  5   22 o 91.90166 2.278469  1790.405       87.18724 1655.399       
128.7817 1904.648       118.4660 88.66116 3.459728 95.14217 2.965799 -6.481010 
4.556938 
1 1 1 -5  5   23 o 50.19079 2.895486  534.5084       59.60713 515.2516       
94.09333 547.4165       77.03654 49.40511 4.536366 50.97647 3.599549 -1.571362 
5.790973 
1 1 1 -5  5   24 f 213.2369 3.610047  9704.369       295.7188 9382.203       
536.2187 9845.180       354.5014 210.3580 6.071612 216.1158 3.907082 -5.757843 
7.220094 
1 1 1 -5  5   25 o 100.1744 2.560607  2123.568       105.1081 2074.034       
166.9818 2156.074       135.2683 99.15797 4.011093 101.1909 3.184018 -2.032944 
5.121214 
1 1 1 -5  5   26 o 123.2725 2.773928  3103.209       134.3349 3506.980       
242.5580 2924.571       161.3375 128.7533 4.487232 117.7917 3.262432 10.96152 
5.547857 
1 1 1 -5  5   27 o 68.70186 3.233447  998.3665       93.09809 957.1202       
127.1155 1046.089       136.7309 67.18565 4.506537 70.21807 4.638086 -3.032425 
6.466894 
1 1 1 -5  5   28 o 49.23885 5.524796  518.4031       114.2097 518.4031       
114.2097 0.000000       0.000000 49.23885 5.524796 ?        ?        ? ? 
1 1 1 -5  5   29 o 44.32990 4.194783  425.7947       77.25572 497.3444       
109.6697 355.3145       108.8471 48.14125 5.426134 40.51856 6.398585 7.622688 
8.389565 
1 1 1 -5  5   30 o 134.0903 3.193369  3856.919       179.3555 3694.984       
258.9316 4006.278       248.6731 131.2720 4.698228 136.9087 4.326323 -5.636688 
6.386737 
1 1 1 -5  5   31 o 44.63977 4.188751  434.9588       78.15319 381.6114       
107.5380 494.6750       113.7762 41.67744 6.145850 47.60209 5.693070 -5.924652 
8.377501 
1 1 1 -5  5   32 o 48.63335 3.920931  516.3109       79.77773 574.6186       
118.4240 467.8630       107.9478 51.14166 5.515516 46.12505 5.574397 5.016605 
7.841863 
1 1 1 -5  5   33 o 44.45824 4.711728  449.0367       87.91208 433.1726       
123.5542 465.3038       125.1134 43.62048 6.746647 45.29601 6.579079 -1.675526 
9.423456 
1 1 1 -5  5   34 o 63.58213 3.721886  881.5887       97.90106 702.6144       
129.2532 1122.456       149.9459 56.00452 5.497171 71.15974 5.019048 -15.15522 
7.443771 
1 1 1 -5  5   35 o 26.43944 6.363949  177.5414       85.33952 216.5575       
122.9950 141.3208       118.5067 28.65576 9.107750 24.22313 8.890911 4.432631 
12.72790 
1 1 1 -5  5   36 o 34.19054 5.708562  301.9544       88.67738 475.5667       
130.7866 154.2252       120.6441 44.07241 7.068341 24.30867 8.966006 19.76373 
11.41712 
1 1 1 -5  5   37 o 35.97597 5.581757  351.5428       88.54369 182.9862       
120.6916 548.0027       130.2990 25.02755 8.993286 46.92439 6.613988 -21.89684 
11.16351 
1 1 1 -5  6   1  o 160.9644 2.775154  5496.183       160.8419 5340.050       
323.9427 5547.267       185.2956 159.3991 4.840645 162.5296 2.715525 -3.130463 
5.550308 
1 1 1 -5  6   2  o 155.4017 1.777010  5038.966       115.1078 4819.857       
152.5419 5328.724       175.4190 151.5054 2.398181 159.2979 2.622935 -7.792480 
3.554021 
1 1 1 -5  6   3  f 331.5753 3.841354  23112.97       534.3309 23138.36       
771.1442 23089.52       741.0687 331.7406 5.536789 331.4099 5.326159 0.3307800 
7.682708 
1 1 1 -5  6   4  o 117.1898 1.385237  2873.450       67.66216 2964.115       
102.7089 2803.934       89.93574 118.8161 2.058987 115.5635 1.853670 3.252602 
2.770473 
1 1 1 -5  6   5  o 204.6911 1.810998  8726.049       151.7954 9118.565       
245.6550 8483.604       193.0648 208.3772 2.807997 201.0050 2.287797 7.372162 
3.621997 
1 1 1 -5  6   6  o 166.0469 2.582101  5792.165       179.9846 5691.211       
254.4729 5893.222       254.6004 164.5981 3.682459 167.4958 3.620564 -2.897736 
5.164203 
1 1 1 -5  6   7  o 337.3384 4.497283  23927.33       635.9385 23741.79       
873.6655 24136.40       927.4478 335.9666 6.193985 338.7102 6.522022 -2.743561 
8.994566 
1 1 1 -5  6   8  o 98.15475 1.535525  2005.140       62.95237 1852.617       
83.98507 2200.724       95.10435 93.93257 2.129644 102.3769 2.212684 -8.444359 
3.071050 
1 1 1 -5  6   9  o 284.3505 4.056521  16973.02       481.7863 17290.30       
721.6986 16717.95       647.0886 286.7203 5.995404 281.9807 5.465948 4.739685 
8.113042 
1 1 1 -5  6   10 o 538.9983 4.393327  60295.14       922.6243 58964.77       
1108.018 63303.24       1666.125 529.6353 4.983000 548.3613 7.237056 -18.72607 
8.786654 
1 1 1 -5  6   11 o 184.1407 1.923994  7114.738       148.1673 7188.576       
219.9275 7053.370       200.4980 185.0116 2.831403 183.2697 2.605796 1.741806 
3.847988 
1 1 1 -5  6   12 o 234.3506 3.663694  11272.25       302.4201 12054.38       
643.6788 11050.70       342.5862 239.3456 6.405674 229.3555 3.557802 9.990143 
7.327387 
1 1 1 -5  6   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  6   14 o 343.5532 5.526447  24904.12       728.0853 24811.32       
1335.141 24943.40       868.6039 342.8118 9.276672 344.2946 6.009144 -1.482758 
11.05289 
1 1 1 -5  6   15 o 345.2471 5.483780  25180.65       780.3190 24882.33       
1222.372 25385.84       1013.751 343.3672 8.479412 347.1270 6.956071 -3.759857 
10.96756 
1 1 1 -5  6   16 o 216.3763 3.118324  9846.722       272.6950 9836.521       
451.4199 9852.583       342.1856 216.2389 4.972422 216.5137 3.764414 
-0.2748108     6.236649 
1 1 1 -5  6   17 o 330.7639 4.529860  22805.69       531.3342 23544.05       
1110.060 22586.25       605.1616 333.8333 7.920230 327.6944 4.398691 6.138885 
9.059720 
1 1 1 -5  6   18 o 15.91011 4.628210  15.02557       48.72083 25.98507       
78.30307 8.102413       62.23508 17.22544 6.968626 14.59478 6.092584 2.630663 
9.256420 
1 1 1 -5  6   19 o 91.18661 2.288253  1746.139       85.97344 1759.184       
135.4915 1737.347       111.2351 91.45766 3.528687 90.91558 2.914237 0.5420761 
4.576506 
1 1 1 -5  6   20 o 269.8885 4.191216  15358.67       457.6450 15515.30       
757.4983 15268.63       574.3044 270.7353 6.664351 269.0418 5.084444 1.693481 
8.382431 
1 1 1 -5  6   21 o 269.7075 4.996334  15246.05       522.0193 15964.16       
950.9929 14936.36       624.5187 273.6241 8.278356 265.7909 5.596628 7.833191 
9.992668 
1 1 1 -5  6   22 o 79.51195 2.221070  1335.732       73.07135 1299.308       
112.5427 1362.278       96.07671 78.55247 3.412546 80.47144 2.843790 -1.918968 
4.442140 
1 1 1 -5  6   23 o 150.5635 2.251597  4772.101       137.6200 4770.990       
225.4322 4772.762       173.7543 150.4965 3.567884 150.6306 2.747536 
-0.1341553     4.503194 
1 1 1 -5  6   24 o 217.5074 3.889854  9988.692       339.0577 10093.43       
573.3876 9932.376       420.4406 218.1202 6.261430 216.8947 4.617180 1.225479 
7.779708 
1 1 1 -5  6   25 o 174.4305 3.208668  6367.046       226.8134 6650.380       
376.9008 6206.183       283.9932 177.3143 5.062958 171.5467 3.943180 5.767578 
6.417336 
1 1 1 -5  6   26 o 66.77412 2.620741  910.3202       71.85962 1088.539       
117.5369 803.9423       90.80775 71.80546 3.898863 61.74279 3.503142 10.06267 
5.241482 
1 1 1 -5  6   27 o 70.06093 2.549310  1026.155       73.73088 1094.044       
116.8810 981.2845       95.02271 71.93229 3.870268 68.18956 3.319178 3.742729 
5.098619 
1 1 1 -5  6   28 o 56.68242 3.652888  695.0239       85.15736 540.6137       
121.0970 846.0822       119.7753 50.25956 5.738992 63.10528 4.520877 -12.84572 
7.305776 
1 1 1 -5  6   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  6   30 o 19.74214 5.659559  43.38798       73.35879 24.00585       
106.8889 60.64642       100.8631 19.04865 7.970303 20.43563 8.037209 -1.386986 
11.31912 
1 1 1 -5  6   31 o 67.81545 3.245097  987.3623       92.18194 898.5435       
127.3655 1085.070       133.5867 64.58029 4.697567 71.05061 4.478335 -6.470322 
6.490195 
1 1 1 -5  6   32 o 17.40948 5.388148  -6.953010      74.94948 -16.38692      
103.1999 3.576774       109.0293 16.79901 7.426871 18.01995 7.808339 -1.220943 
10.77630 
1 1 1 -5  6   33 o 67.18552 3.472478  986.1088       97.76253 1030.305       
143.7165 948.0439       133.3761 68.53470 4.994789 65.83633 4.825400 2.698372 
6.944955 
1 1 1 -5  6   34 o 49.41784 4.068396  545.8973       83.91714 471.0451       
114.4327 632.9841       123.4310 45.64770 5.971072 53.18798 5.527538 -7.540283 
8.136791 
1 1 1 -5  6   35 f 36.49876 5.724577  334.4490       85.46290 305.5172       
117.8112 366.5854       124.1644 34.70688 8.204598 38.29063 7.985468 -3.583752 
11.44915 
1 1 1 -5  6   36 o 19.64925 5.901667  51.50755       84.09015 32.06520       
110.9333 77.76895       128.9278 18.31084 7.904481 20.98765 8.765720 -2.676817 
11.80333 
1 1 1 -5  6   37 o 21.41559 6.153517  110.1532       86.96957 90.90646       
127.4844 126.9081       118.9461 20.69025 8.683132 22.14092 8.721601 -1.450674 
12.30703 
1 1 1 -5  7   1  o 87.38985 2.008506  1443.182       65.51749 1965.357       
133.9668 1279.028       75.11308 96.73270 3.298715 78.04700 2.292348 18.68571 
4.017011 
1 1 1 -5  7   2  o 465.8009 5.481047  45281.25       1032.575 44213.66       
1289.647 47187.99       1723.509 458.4031 6.701073 473.1986 8.675431 -14.79553 
10.96209 
1 1 1 -5  7   3  o 188.6234 2.265675  7475.318       179.2452 7407.482       
258.6369 7538.011       248.6405 187.7973 3.280365 189.4496 3.126074 -1.652252 
4.531351 
1 1 1 -5  7   4  o 515.8761 6.323027  55887.59       1359.360 54446.12       
1805.376 57774.67       2065.657 508.3362 8.459367 523.4160 9.400096 -15.07983 
12.64605 
1 1 1 -5  7   5  o 519.1671 4.061104  55972.82       828.5667 54721.89       
1002.535 58668.74       1471.755 510.2790 4.679646 528.0551 6.638613 -17.77615 
8.122209 
1 1 1 -5  7   6  o 201.9067 1.927284  8281.183       143.8272 7989.794       
166.1610 9151.838       287.2210 195.0727 2.028868 208.7407 3.277405 -13.66806 
3.854568 
1 1 1 -5  7   7  o 287.7830 4.068185  17411.11       491.0644 17517.75       
710.9879 17313.82       679.0522 288.6153 5.867646 286.9506 5.636598 1.664673 
8.136370 
1 1 1 -5  7   8  o 80.90957 1.865489  1373.960       63.34438 1427.765       
90.66728 1322.655       88.53571 82.45637 2.619072 79.36277 2.657191 3.093597 
3.730978 
1 1 1 -5  7   9  o 303.6623 2.288616  19361.04       290.4302 19298.87       
392.0663 19436.66       432.3419 303.1303 3.080712 304.1942 3.385302 -1.063934 
4.577232 
1 1 1 -5  7   10 o 235.5256 2.768726  11639.76       273.0918 11855.48       
402.2552 11455.32       371.9435 237.5412 4.033517 233.5100 3.793958 4.031189 
5.537452 
1 1 1 -5  7   11 o 538.9767 3.765221  60975.13       824.3104 61490.31       
1351.313 60669.82       1040.276 540.6776 5.953041 537.2759 4.611816 3.401611 
7.530441 
1 1 1 -5  7   12 o 141.5502 2.615319  4187.805       148.3147 4281.466       
251.8475 4138.075       183.5121 142.7388 4.202588 140.3617 3.114133 2.377121 
5.230638 
1 1 1 -5  7   13 o 317.6153 7.901208  21167.24       973.7254 21806.53       
1762.668 20886.47       1168.141 320.5734 13.09677 314.6572 8.842570 5.916199 
15.80242 
1 1 1 -5  7   14 o 348.7653 4.705871  25435.67       650.4916 26142.20       
1130.918 25086.36       795.2021 352.1904 7.648472 345.3401 5.484684 6.850342 
9.411741 
1 1 1 -5  7   15 f 119.7452 2.407912  3003.654       114.8935 3041.240       
196.8973 2984.249       141.4772 120.2949 3.898643 119.1955 2.827143 1.099487 
4.815823 
1 1 1 -5  7   16 o 195.2007 2.543099  8006.849       189.3335 8009.816       
350.9461 8005.631       224.8646 195.1795 4.282794 195.2219 2.743555 
-0.4240417E-01 5.086199 
1 1 1 -5  7   17 o 377.7269 4.865747  29742.85       665.3613 30805.61       
1349.754 29401.69       764.7324 381.6676 8.423457 373.7861 4.873124 7.881500 
9.731494 
1 1 1 -5  7   18 o 111.8437 1.837801  2609.747       82.15212 2687.634       
140.4623 2569.252       101.2814 113.0891 2.958422 110.5983 2.181235 2.490784 
3.675602 
1 1 1 -5  7   19 o 33.44616 3.998584  250.3822       52.44736 195.7123       
81.52291 288.9885       68.50701 29.84429 6.674995 37.04803 4.404443 -7.203745 
7.997167 
1 1 1 -5  7   20 o 128.8595 2.558375  3464.004       134.2042 3616.373       
220.5468 3374.411       169.1190 131.0538 4.008411 126.6652 3.180214 4.388596 
5.116749 
1 1 1 -5  7   21 o 56.09152 2.791376  670.9549       63.89402 626.1050       
101.3153 700.5710       82.33009 54.49009 4.428726 57.69296 3.399044 -3.202877 
5.582751 
1 1 1 -5  7   22 o 273.7358 3.561185  15436.39       306.4963 16446.82       
756.6944 15238.08       335.2265 278.3600 6.474926 269.1116 2.967065 9.248383 
7.122369 
1 1 1 -5  7   23 o 111.1778 2.025146  2618.496       93.84635 2391.485       
137.1805 2818.201       128.6659 106.5989 3.065214 115.7567 2.647515 -9.157799 
4.050293 
1 1 1 -5  7   24 o 252.0544 4.238056  13337.25       421.4643 13844.49       
740.6035 13094.30       512.5552 255.1629 6.913361 248.9459 4.904072 6.217056 
8.476112 
1 1 1 -5  7   25 o 64.89969 2.564714  865.8773       68.83852 1016.497       
109.5173 767.5008       88.50887 69.44193 3.756487 60.35744 3.492827 9.084496 
5.129428 
1 1 1 -5  7   26 o 157.6129 2.272574  5191.119       138.3812 5346.191       
252.5509 5124.586       165.4245 159.1658 3.779378 156.0601 2.524813 3.105713 
4.545149 
1 1 1 -5  7   27 o 19.03521 5.150578  53.97240       58.24929 18.12045       
93.39744 76.79465       74.51743 17.97216 7.480558 20.09825 7.082023 -2.126089 
10.30116 
1 1 1 -5  7   28 o 70.94876 2.652084  1049.077       77.16422 1139.507       
125.2595 993.7706       97.95908 73.32400 4.068981 68.57352 3.402587 4.750473 
5.304169 
1 1 1 -5  7   29 o 138.8545 2.941923  4056.201       155.3507 4196.440       
291.3021 4000.464       183.6453 140.1599 4.950405 137.5491 3.180118 2.610825 
5.883847 
1 1 1 -5  7   30 o 56.86896 4.968842  694.2205       118.6341 0.000000       
0.000000 694.2205       118.6341 ?        ?        56.86896 4.968842 ? ? 
1 1 1 -5  7   31 o 87.29855 2.922273  1622.932       106.7676 1810.779       
157.0860 1461.648       145.5566 91.99546 4.067169 82.60164 4.197244 9.393822 
5.844546 
1 1 1 -5  7   32 o 37.61970 5.253727  329.7296       79.77188 331.2761       
108.6370 327.9199       117.5142 37.87250 7.094724 37.36691 7.750581 0.5055923 
10.50745 
1 1 1 -5  7   33 o 19.74688 5.650216  51.25690       73.87875 18.26201       
104.4711 84.26341       104.4895 18.14292 7.746764 21.35085 8.227236 -3.207933 
11.30043 
1 1 1 -5  7   34 o 25.44077 5.792074  137.8906       78.67541 256.9291       
115.0077 33.18247       107.8633 32.07043 8.430240 18.81111 7.945031 13.25932 
11.58415 
1 1 1 -5  7   35 o 59.56062 4.063331  789.9079       100.4222 651.3653       
132.5397 976.6391       153.8731 53.42045 5.909619 65.70079 5.578444 -12.28034 
8.126662 
1 1 1 -5  7   36 o 23.26484 6.185366  130.1183       82.23950 111.9732       
113.5771 150.1171       119.2377 22.18195 8.571303 24.34773 8.920077 -2.165779 
12.37073 
1 1 1 -5  7   37 o 30.64127 6.192497  266.1075       86.88966 185.6504       
118.7771 358.7301       127.4409 25.41625 8.942673 35.86630 8.568353 -10.45005 
12.38499 
1 1 1 -5  8   1  o 189.6250 3.112414  7519.503       229.4293 7651.988       
413.0284 7460.379       275.9125 190.7911 5.156354 188.4589 3.487191 2.332230 
6.224829 
1 1 1 -5  8   2  o 150.5881 2.252440  4487.609       128.1908 4167.391       
149.0381 5398.087       251.3097 140.8754 2.519900 160.3009 3.734172 -19.42555 
4.504879 
1 1 1 -5  8   3  o 101.1072 1.800570  2122.684       75.77224 1976.033       
99.58334 2324.336       116.7743 97.00727 2.445138 105.2071 2.643767 -8.199837 
3.601140 
1 1 1 -5  8   4  o 160.2568 1.809902  5350.928       120.6359 5104.577       
158.5726 5689.398       185.8705 155.9151 2.422484 164.5985 2.689711 -8.683395 
3.619803 
1 1 1 -5  8   5  o 482.8211 4.219441  49043.30       854.9128 48412.54       
1222.889 49646.25       1195.630 479.7678 6.071235 485.8745 5.861300 -6.106720 
8.438882 
1 1 1 -5  8   6  o 305.9176 3.279902  19647.40       420.2998 19959.70       
617.6194 19378.04       573.6054 308.1691 4.773675 303.6662 4.499227 4.502930 
6.559803 
1 1 1 -5  8   7  o 252.4603 2.567891  13308.08       269.0941 12878.51       
352.3713 13909.11       416.8053 247.6136 3.389590 257.3070 3.858360 -9.693420 
5.135782 
1 1 1 -5  8   8  f 285.5916 2.784639  17138.16       333.8350 16947.03       
474.3347 17325.76       469.9241 284.0111 3.978053 287.1721 3.897684 -3.160919 
5.569277 
1 1 1 -5  8   9  o 204.9564 2.665192  8702.576       224.7788 8246.606       
287.2347 9423.009       361.0479 198.1390 3.452933 211.7738 4.060819 -13.63481 
5.330384 
1 1 1 -5  8   10 o 413.6950 3.783136  35018.69       599.2330 33712.60       
707.5562 38331.82       1126.920 400.5470 4.207542 426.8430 6.288486 -26.29605 
7.566271 
1 1 1 -5  8   11 o 356.8640 4.670520  26746.41       631.7874 26931.28       
1184.932 26672.97       746.7944 357.5284 7.894128 356.1996 4.993772 1.328827 
9.341040 
1 1 1 -5  8   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  8   13 o 316.1217 5.109164  20982.74       633.2844 21234.80       
1120.134 20864.32       767.7654 317.3230 8.407940 314.9205 5.806958 2.402466 
10.21833 
1 1 1 -5  8   14 o 44.93121 2.970398  413.3319       54.06936 465.2898       
91.27163 385.2390       67.11324 47.04445 4.621133 42.81796 3.733389 4.226494 
5.940797 
1 1 1 -5  8   15 f 41.09412 3.769000  391.3071       57.70213 240.0617       
88.18488 504.5458       76.30457 33.18929 6.562239 48.99895 3.709239 -15.80966 
7.537999 
1 1 1 -5  8   16 o 349.2668 4.320745  25611.33       508.8390 25836.61       
1133.436 25554.46       569.4485 349.8699 7.716341 348.6637 3.890172 1.206268 
8.641491 
1 1 1 -5  8   17 o 210.3969 2.823783  9376.799       240.1142 9051.098       
393.9230 9569.356       302.8875 207.4169 4.523642 213.3770 3.381075 -5.960037 
5.647566 
1 1 1 -5  8   18 o 279.3535 4.922354  16446.50       551.6989 16618.33       
930.7632 16353.42       685.0038 280.2190 7.911570 278.4880 5.858785 1.730988 
9.844708 
1 1 1 -5  8   19 o 63.34682 2.152652  851.4305       55.58852 809.6375       
88.90491 878.2574       71.22916 62.04665 3.412939 64.64700 2.624403 -2.600342 
4.305304 
1 1 1 -5  8   20 o 188.5528 3.482546  7442.349       258.1184 7657.291       
456.1205 7341.087       313.0704 190.3889 5.706357 186.7166 3.993744 3.672379 
6.965091 
1 1 1 -5  8   21 o 45.24771 3.051864  431.8569       57.00476 430.5292       
89.05486 432.7785       74.19745 45.17068 4.695935 45.32475 3.899192 
-0.1540718     6.103729 
1 1 1 -5  8   22 f 17.01197 4.699435  29.38732       52.22123 -38.54612      
84.45509 71.43793       66.44620 14.69920 6.592410 19.32474 6.699171 -4.625531 
9.398870 
1 1 1 -5  8   23 o 72.48624 2.265971  1106.730       68.02796 1101.865       
105.0724 1110.241       89.26179 72.33224 3.460014 72.64025 2.926909 
-0.3080139     4.531942 
1 1 1 -5  8   24 o 79.21674 2.445881  1318.940       80.31558 1337.990       
124.2381 1305.262       105.2707 79.68761 3.713514 78.74586 3.184203 0.9417419 
4.891762 
1 1 1 -5  8   25 o 202.5172 2.884139  8567.007       225.8475 8869.961       
412.0242 8436.887       270.0279 204.8628 4.790498 200.1717 3.213121 4.691132 
5.768277 
1 1 1 -5  8   26 o 125.9257 2.357659  3385.971       121.0721 3146.902       
192.0811 3543.565       155.9530 122.1219 3.746383 129.7295 2.863362 -7.607582 
4.715318 
1 1 1 -5  8   27 o 129.1564 2.470526  3539.187       128.6331 3459.017       
212.9013 3585.278       161.4291 127.8921 3.965113 130.4207 2.948197 -2.528557 
4.941051 
1 1 1 -5  8   28 o 89.62141 2.603280  1684.245       95.30714 1763.549       
155.2632 1636.295       120.7293 91.22519 4.053918 88.01763 3.267112 3.207558 
5.206560 
1 1 1 -5  8   29 o 101.8668 2.564555  2197.377       107.4562 2204.837       
169.9855 2192.412       138.6806 101.9166 3.972723 101.8170 3.244264 
0.9954071E-01  5.129111 
1 1 1 -5  8   30 o 47.16754 3.402793  472.8510       66.27375 497.9882       
104.6735 456.0316       85.62151 48.12885 5.180271 46.20624 4.413705 1.922604 
6.805586 
1 1 1 -5  8   31 o 41.82379 4.798436  403.2771       78.70406 544.7717       
111.3418 261.9727       111.2670 50.14843 5.288371 33.49915 8.008313 16.64927 
9.596871 
1 1 1 -5  8   32 o 67.49973 3.192260  976.7757       89.71720 815.6763       
121.8270 1167.676       132.6172 61.37090 4.728268 73.62856 4.290172 -12.25765 
6.384520 
1 1 1 -5  8   33 o 47.35250 4.252600  499.2036       84.45737 530.6246       
122.0492 470.3322       116.9927 48.80647 5.956329 45.89854 6.071290 2.907936 
8.505199 
1 1 1 -5  8   34 o 41.30891 4.678992  390.5262       81.07130 392.1059       
117.2281 389.0781       112.2388 41.31504 6.758411 41.30278 6.472692 
0.1226425E-01  9.357985 
1 1 1 -5  8   35 o 28.62828 5.962994  211.4930       80.49325 135.4057       
119.3332 275.0114       109.0322 24.08880 8.910686 33.16775 7.926467 -9.078949 
11.92599 
1 1 1 -5  8   36 o 23.26731 6.011580  121.8270       81.06979 48.02299       
113.7645 197.9744       115.5565 19.24425 8.145266 27.29037 8.843699 -8.046129 
12.02316 
1 1 1 -5  8   37 o 43.56684 5.215425  489.3354       91.83355 424.1588       
132.9070 548.8813       127.0363 39.62065 8.261053 47.51302 6.368487 -7.892372 
10.43085 
1 1 1 -5  9   1  o 235.1573 4.202837  11651.76       399.2733 11551.31       
660.2967 11709.66       501.3083 234.2952 6.712695 236.0194 5.059158 -1.724274 
8.405674 
1 1 1 -5  9   2  o 268.2186 3.301029  15071.23       371.1236 14100.32       
508.9066 16174.09       542.3880 259.0207 4.679772 277.4165 4.656920 -18.39584 
6.602058 
1 1 1 -5  9   3  o 441.9620 5.816619  41026.81       1063.386 40434.79       
1385.119 41876.63       1659.511 438.2208 7.528616 445.7033 8.868606 -7.482513 
11.63324 
1 1 1 -5  9   4  o 259.6781 3.087529  14023.85       325.6363 13614.34       
408.6139 14736.56       539.0677 254.5676 3.823235 264.7885 4.849146 -10.22089 
6.175058 
1 1 1 -5  9   5  o 412.1002 5.255776  35672.30       906.9772 34662.50       
1232.124 36866.61       1339.971 405.7820 7.232405 418.4183 7.627913 -12.63635 
10.51155 
1 1 1 -5  9   6  o 411.4261 5.675587  35535.77       976.7124 34331.80       
1316.712 37008.71       1456.385 403.7499 7.767826 419.1022 8.277080 -15.35236 
11.35117 
1 1 1 -5  9   7  f 366.7383 4.196179  28212.23       643.5620 27479.25       
867.7186 29108.37       959.4470 361.4836 5.717569 371.9932 6.143376 -10.50961 
8.392358 
1 1 1 -5  9   8  o 362.0847 4.573239  27565.52       694.8296 27011.07       
963.6491 28165.93       1002.794 358.3030 6.406039 365.8663 6.528456 -7.563354 
9.146479 
1 1 1 -5  9   9  o 213.4240 3.274418  9393.313       286.4848 8795.496       
362.7420 10384.36       467.0472 204.5905 4.223119 222.2574 5.005250 -17.66682 
6.548836 
1 1 1 -5  9   10 o 195.6492 2.985449  8102.169       239.7848 7753.218       
376.8706 8339.511       310.8110 192.0611 4.673841 199.2373 3.715753 -7.176208 
5.970897 
1 1 1 -5  9   11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  9   12 o 267.1124 4.605511  14963.76       482.2291 15168.66       
853.7912 14867.78       584.3632 268.3232 7.579047 265.9016 5.234594 2.421570 
9.211021 
1 1 1 -5  9   13 o 72.29457 2.307522  1095.665       68.89162 1110.386       
107.9460 1085.549       89.48513 72.69887 3.536713 71.89028 2.964843 0.8085861 
4.615044 
1 1 1 -5  9   14 o 290.4988 4.168305  17614.91       451.5616 18079.25       
873.7411 17445.69       527.4650 292.9190 7.104873 288.0786 4.361177 4.840393 
8.336611 
1 1 1 -5  9   15 o 336.7992 4.521146  23832.07       576.3334 24036.75       
1083.908 23751.40       680.5038 337.5555 7.648363 336.0428 4.823441 1.512665 
9.042292 
1 1 1 -5  9   16 o 59.81602 2.602662  763.1485       63.67258 698.5226       
99.76508 807.5648       82.70779 57.63780 4.122799 61.99423 3.177724 -4.356426 
5.205325 
1 1 1 -5  9   17 o 179.1774 2.813236  6621.803       194.0199 7075.220       
359.5836 6435.583       230.4433 183.3600 4.671071 174.9949 3.136605 8.365067 
5.626472 
1 1 1 -5  9   18 o 173.5951 2.454733  6238.068       162.2381 6569.271       
305.3756 6107.824       191.4991 176.6975 4.116469 170.4928 2.675357 6.204773 
4.909466 
1 1 1 -5  9   19 o 218.9532 3.765803  10047.08       330.0856 10323.26       
561.9036 9901.552       407.8824 221.0855 6.053723 216.8208 4.480795 4.264664 
7.531606 
1 1 1 -5  9   20 o 74.96378 2.002637  1167.842       60.98829 1234.904       
101.0316 1129.394       76.49877 76.62342 3.140631 73.30415 2.485690 3.319275 
4.005274 
1 1 1 -5  9   21 o 34.89971 3.861235  250.7469       54.24704 331.6228       
86.81219 198.9366       69.48315 39.61706 5.219388 30.18236 5.691619 9.434700 
7.722469 
1 1 1 -5  9   22 o 80.78708 2.212633  1357.880       71.66273 1426.274       
122.2504 1322.074       88.45403 82.28942 3.538567 79.28474 2.657352 3.004677 
4.425265 
1 1 1 -5  9   23 o 153.1900 2.644902  4935.109       164.8612 4984.573       
269.1589 4905.410       208.5619 153.7326 4.170266 152.6474 3.254369 1.085266 
5.289804 
1 1 1 -5  9   24 o 192.0513 3.674314  7843.969       288.7719 7593.195       
459.1996 8008.014       371.4018 189.3324 5.776937 194.7702 4.541952 -5.437805 
7.348628 
1 1 1 -5  9   25 f 147.5575 2.501704  4516.120       145.0641 4789.925       
258.3302 4390.016       175.3156 150.6818 4.083527 144.4332 2.891176 6.248642 
5.003407 
1 1 1 -5  9   26 f 175.3940 3.445169  6454.689       237.0438 6684.358       
420.9759 6348.063       286.8386 177.3909 5.652582 173.3970 3.940188 3.993912 
6.890338 
1 1 1 -5  9   27 o 123.6814 2.566443  3233.314       131.0308 3219.484       
204.6349 3242.926       170.5880 123.3862 3.950338 123.9767 3.277400 
-0.5904846     5.132886 
1 1 1 -5  9   28 o 84.59650 2.507925  1483.968       87.40967 1661.615       
140.5411 1371.899       111.6263 88.60439 3.778063 80.58861 3.299240 8.015785 
5.015850 
1 1 1 -5  9   29 o 72.85775 2.635900  1132.443       79.29750 1082.755       
122.3099 1168.473       104.1528 71.39996 4.080232 74.31554 3.338201 -2.915573 
5.271800 
1 1 1 -5  9   30 o 58.79026 2.816952  732.2786       68.80119 759.9230       
106.0160 712.1645       90.43103 59.69170 4.230371 57.88882 3.720865 1.802879 
5.633904 
1 1 1 -5  9   31 o 27.43833 5.206700  182.4926       64.85605 92.90734       
103.7366 239.9793       83.09924 22.27605 8.294409 32.60061 6.296165 -10.32457 
10.41340 
1 1 1 -5  9   32 o 59.13899 3.735828  758.5187       92.32523 719.8627       
123.6334 807.2525       138.8169 57.51305 5.120242 60.76493 5.441395 -3.251888 
7.471657 
1 1 1 -5  9   33 o 54.86565 7.669531  695.2575       176.6641 695.2575       
176.6641 0.000000       0.000000 54.86565 7.669531 ?        ?        ? ? 
1 1 1 -5  9   34 o 31.92521 5.961724  252.1251       80.88051 274.5613       
119.9474 233.4181       109.5262 33.16143 8.559745 30.68899 8.300565 2.472433 
11.92345 
1 1 1 -5  9   35 o 53.93844 4.162509  666.0001       93.49208 606.2971       
136.3354 718.9982       128.4521 51.31742 6.327975 56.55946 5.409496 -5.242043 
8.325018 
1 1 1 -5  9   36 o 25.95243 5.920495  170.0437       80.92374 70.15691       
118.5232 257.2707       110.7579 20.46795 8.467302 31.43691 8.277308 -10.96895 
11.84099 
1 1 1 -5  9   37 f 29.47778 6.413034  250.7052       87.07463 245.5915       
123.7502 255.7197       122.5429 29.12893 9.117576 29.82662 9.020967 
-0.6976948     12.82607 
1 1 1 -5  10  1  o 249.3325 2.282211  13050.50       238.8061 12819.77       
332.1588 13297.37       343.5761 247.0536 3.202399 251.6113 3.252475 -4.557663 
4.564423 
1 1 1 -5  10  2  o 196.6209 1.751857  7808.554       126.8537 7496.059       
146.1127 8765.100       255.6343 188.9518 1.841866 204.2899 2.980528 -15.33806 
3.503715 
1 1 1 -5  10  3  o 219.8012 2.223848  10146.39       205.2073 10228.76       
291.9839 10066.00       288.4620 220.6824 3.151463 218.9201 3.138514 1.762360 
4.447695 
1 1 1 -5  10  4  o 219.8148 2.133967  9798.718       178.8901 9347.823       
210.2465 10981.27       340.4875 210.9906 2.373487 228.6391 3.547086 -17.64856 
4.267934 
1 1 1 -5  10  5  o 861.3835 6.997337  156543.3       2529.200 154844.0       
3512.818 158372.3       3644.471 856.5917 9.767936 866.1754 10.02189 -9.583740 
13.99467 
1 1 1 -5  10  6  o 229.7361 2.615080  11016.13       249.7030 10610.11       
328.0024 11575.78       385.0955 224.7442 3.476238 234.7281 3.907729 -9.983826 
5.230161 
1 1 1 -5  10  7  o 66.84717 1.929362  938.2473       54.11374 984.2956       
77.14527 893.6430       75.92607 68.46201 2.683989 65.23234 2.772357 3.229668 
3.858725 
1 1 1 -5  10  8  o 109.0263 1.745190  2473.656       79.11862 2344.518       
103.8306 2652.457       122.1757 105.6656 2.340522 112.3869 2.589347 -6.721291 
3.490381 
1 1 1 -5  10  9  o 165.0846 2.735684  5631.138       174.7259 5968.842       
320.3431 5488.125       208.4652 168.5226 4.527708 161.6466 3.071765 6.875931 
5.471369 
1 1 1 -5  10  10 o 382.9127 9.621543  31032.52       1461.361 31413.40       
2525.123 30840.72       1791.937 383.9786 15.66378 381.8467 11.17776 2.131958 
19.24309 
1 1 1 -5  10  11 o 252.4998 4.628893  13407.63       457.5909 13453.57       
810.0382 13386.10       554.5486 252.6942 7.635391 252.3055 5.235209 0.3887329 
9.257787 
1 1 1 -5  10  12 o 406.2497 4.858088  33803.98       560.9733 36062.58       
1567.170 33472.05       600.7813 413.3549 9.030546 399.1445 3.585150 14.21039 
9.716175 
1 1 1 -5  10  13 o 221.5875 3.000160  10048.35       234.6650 10826.26       
498.8450 9827.285       265.9261 226.8743 5.237227 216.3007 2.928358 10.57356 
6.000319 
1 1 1 -5  10  14 o 363.9293 3.719603  28103.50       517.4483 27281.10       
948.0273 28452.48       617.5499 359.9346 6.273622 367.9239 3.997930 -7.989258 
7.439205 
1 1 1 -5  10  15 f 184.7433 3.030651  7175.168       225.5360 7180.661       
376.3810 7172.093       281.7149 184.7554 4.852343 184.7312 3.632374 
0.2423096E-01  6.061302 
1 1 1 -5  10  16 o 298.7915 3.723258  18582.84       428.8116 19328.80       
787.7203 18268.68       511.1928 302.8397 6.195556 294.7433 4.131063 8.096405 
7.446516 
1 1 1 -5  10  17 o 89.11181 1.889968  1680.836       70.16087 1529.891       
102.7132 1812.874       96.06499 85.32729 2.867210 92.89633 2.463132 -7.569046 
3.779935 
1 1 1 -5  10  18 o 207.9971 3.541419  9154.708       299.1835 8954.935       
486.6474 9276.095       379.3400 206.0657 5.625093 209.9285 4.304059 -3.862839 
7.082839 
1 1 1 -5  10  19 o 256.8953 4.014048  14000.48       409.7147 13717.86       
700.1392 14147.67       505.2617 254.6744 6.548173 259.1162 4.644541 -4.441833 
8.028096 
1 1 1 -5  10  20 o 114.6426 2.506077  2738.004       117.1007 2881.877       
192.1680 2653.026       147.6886 116.9806 3.912807 112.3046 3.132351 4.675941 
5.012154 
1 1 1 -5  10  21 o 58.48137 2.595711  714.7482       62.75583 751.4243       
98.74775 689.8997       81.28075 59.71542 3.938781 57.24731 3.381845 2.468105 
5.191422 
1 1 1 -5  10  22 o 58.32903 2.434527  725.7817       58.83918 618.5689       
85.65540 821.5740       80.96491 54.17895 3.765696 62.47911 3.086619 -8.300163 
4.869054 
1 1 1 -5  10  23 o 34.95250 4.199507  269.0645       58.07347 238.4720       
91.87328 289.4218       74.94477 32.88985 6.876466 37.01515 4.822618 -4.125294 
8.399014 
1 1 1 -5  10  24 o 239.0784 3.266184  12041.96       289.7345 12125.73       
562.1426 12011.65       338.1023 239.3194 5.594867 238.8375 3.371838 0.4818878 
6.532368 
1 1 1 -5  10  25 o 40.77453 3.670703  364.5792       59.07887 311.1847       
98.18455 394.8827       73.96761 38.28584 6.108379 43.26321 4.072338 -4.977371 
7.341405 
1 1 1 -5  10  26 o 130.1251 2.793420  3587.570       145.3510 3535.503       
245.4511 3615.689       180.3796 129.2764 4.522378 130.9738 3.280379 -1.697449 
5.586841 
1 1 1 -5  10  27 o 81.56917 2.658309  1413.447       88.95489 1370.861       
140.5585 1441.900       114.8902 80.47715 4.160116 82.66118 3.310568 -2.184029 
5.316618 
1 1 1 -5  10  28 o 74.14863 2.540247  1155.949       77.23910 1194.524       
124.1499 1131.590       98.65731 75.09606 3.937769 73.20119 3.210201 1.894867 
5.080493 
1 1 1 -5  10  29 o 76.99840 2.327309  1253.217       74.09648 1259.510       
115.3447 1248.796       96.68420 77.11223 3.562832 76.88457 2.995280 0.2276611 
4.654618 
1 1 1 -5  10  30 o 57.54336 2.806581  706.1433       66.95039 696.7817       
102.7630 713.0473       88.24983 57.14547 4.283274 57.94125 3.627832 
-0.7957802     5.613163 
1 1 1 -5  10  31 o 168.6345 2.820011  5901.755       179.2883 6480.666       
345.5756 5688.544       209.7211 173.5110 4.743917 163.7580 3.050427 9.752975 
5.640023 
1 1 1 -5  10  32 o 52.63300 3.467144  614.6133       74.00066 538.6125       
116.4016 666.1649       95.86739 49.58276 5.591769 55.68324 4.100790 -6.100483 
6.934288 
1 1 1 -5  10  33 o 44.44590 4.689161  445.3511       87.47379 457.8616       
125.5002 433.5311       121.9878 45.05079 6.635338 43.84101 6.627610 1.209782 
9.378322 
1 1 1 -5  10  34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  10  35 o 50.66875 4.279795  574.1684       90.08668 680.8040       
139.9972 498.8077       117.6903 54.56116 6.111627 46.77635 5.992879 7.784809 
8.559589 
1 1 1 -5  10  36 o 15.49263 5.070196  -57.31064      77.87759 -26.95225      
116.6424 -81.72817      104.6088 16.73136 7.604347 14.25389 6.708313 2.477468 
10.14039 
1 1 1 -5  10  37 o 58.42355 4.212626  819.1956       96.67116 509.7761       
133.3275 1162.174       140.3717 45.29935 7.010496 71.54776 4.673094 -26.24841 
8.425251 
1 1 1 -5  11  1  o 242.8011 3.886815  12500.97       374.4889 12075.05       
639.4640 12723.30       462.0018 239.5541 6.358190 246.0480 4.472444 -6.493866 
7.773630 
1 1 1 -5  11  2  o 393.7425 3.545596  31211.92       466.0173 30366.19       
516.7170 34898.24       1078.782 380.2227 3.236948 407.2622 6.309292 -27.03946 
7.091192 
1 1 1 -5  11  3  f 127.6833 1.945030  3422.252       104.2361 3360.624       
145.3246 3487.553       149.5922 126.5002 2.736333 128.8664 2.764969 -2.366196 
3.890061 
1 1 1 -5  11  4  o 227.0228 3.228273  10835.32       307.5975 10647.60       
437.9300 11018.10       432.1449 225.0773 4.634406 228.9682 4.495472 -3.890884 
6.456546 
1 1 1 -5  11  5  o 465.8506 4.910477  45643.82       936.2356 45860.11       
1503.436 45506.82       1196.565 466.6073 7.674578 465.0939 6.127968 1.513367 
9.820954 
1 1 1 -5  11  6  o 644.9912 9.280468  88075.06       2507.164 86350.17       
3416.328 90088.34       3690.900 638.3400 12.74760 651.6425 13.49099 -13.30249 
18.56094 
1 1 1 -5  11  7  o 287.5996 2.907271  17381.54       351.0124 17175.13       
496.9972 17586.97       495.8180 285.8939 4.140666 289.3053 4.082130 -3.411469 
5.814542 
1 1 1 -5  11  8  o 322.1478 5.293771  21809.06       665.1552 21994.05       
1187.159 21724.41       803.0410 322.9410 8.756021 321.3546 5.952155 1.586334 
10.58754 
1 1 1 -5  11  9  o 328.7141 3.419929  22472.99       376.7850 23118.84       
850.5293 22315.29       420.2744 331.4790 6.111592 325.9491 3.071172 5.529877 
6.839858 
1 1 1 -5  11  10 o 229.4993 6.066619  11082.39       584.5305 11082.39       
584.5305 0.000000       0.000000 229.4993 6.066619 ?        ?        ? ? 
1 1 1 -5  11  11 o 501.8237 5.081106  52684.58       865.9363 53664.64       
1914.979 52432.68       970.8665 504.2298 9.046000 499.4176 4.630382 4.812195 
10.16221 
1 1 1 -5  11  12 f 109.3419 2.336152  2452.612       102.7898 2714.865       
175.8076 2316.401       126.7024 113.6681 3.684003 105.0156 2.873769 8.652481 
4.672304 
1 1 1 -5  11  13 o 207.6272 2.436347  8978.584       181.0768 9209.568       
372.8606 8907.294       207.1443 209.3096 4.243052 205.9448 2.395760 3.364807 
4.872695 
1 1 1 -5  11  14 o 348.7006 4.674023  25103.58       558.8539 26525.41       
1230.727 24734.25       627.2501 354.4222 8.271074 342.9790 4.356064 11.44318 
9.348046 
1 1 1 -5  11  15 o 192.3953 2.977248  7841.690       234.5558 7511.713       
371.4005 8060.620       302.5200 188.9640 4.681494 195.8266 3.679623 -6.862640 
5.954495 
1 1 1 -5  11  16 o 186.6101 3.007412  7120.195       202.4443 7727.276       
417.6648 6933.768       231.4502 191.5705 5.193023 181.6496 3.034899 9.920868 
6.014823 
1 1 1 -5  11  17 o 320.4429 3.946635  21724.94       481.3365 21451.55       
892.0169 21837.23       571.7139 318.7343 6.666002 322.1516 4.227071 -3.417358 
7.893270 
1 1 1 -5  11  18 o 49.72282 2.831456  519.7560       57.98797 523.1043       
91.46188 517.5052       74.98547 49.84462 4.370618 49.60101 3.600872 0.2436104 
5.662913 
1 1 1 -5  11  19 o 198.4738 2.418038  8157.856       177.3472 8560.237       
349.9751 8018.829       205.7160 201.6151 4.134615 195.3326 2.508501 6.282486 
4.836075 
1 1 1 -5  11  20 o 250.0255 4.042096  13145.43       382.7459 13386.83       
720.4077 13050.50       451.7831 251.2301 6.830112 248.8210 4.324780 2.409073 
8.084191 
1 1 1 -5  11  21 o 249.3260 4.617671  13217.91       455.6437 13112.22       
786.8699 13271.22       558.8760 248.1191 7.553771 250.5330 5.313388 -2.413910 
9.235343 
1 1 1 -5  11  22 o 39.03199 3.675920  325.0181       58.74230 308.6960       
92.78107 335.9381       75.88983 38.17231 5.789380 39.89168 4.531295 -1.719372 
7.351840 
1 1 1 -5  11  23 o 96.03818 2.446888  1963.500       95.47606 1855.054       
153.6916 2031.650       121.8370 93.81332 3.902174 98.26303 2.953318 -4.449707 
4.893777 
1 1 1 -5  11  24 o 192.9565 3.125279  7888.735       233.7207 7777.017       
419.4616 7939.035       281.4612 191.7598 5.210216 194.1531 3.452989 -2.393326 
6.250558 
1 1 1 -5  11  25 o 122.3902 2.481014  3114.560       122.0980 3300.574       
207.3057 3015.760       151.0832 125.0889 3.947423 119.6915 3.006588 5.397385 
4.962028 
1 1 1 -5  11  26 o 22.24052 5.451024  90.24393       61.31723 128.2966       
98.32759 66.02961       78.43661 24.85184 8.159332 19.62919 7.230486 5.222647 
10.90205 
1 1 1 -5  11  27 o 154.0442 2.436600  5023.574       154.9516 4936.107       
241.0997 5085.125       202.2526 152.8141 3.757980 155.2744 3.102525 -2.460312 
4.873200 
1 1 1 -5  11  28 o 58.40474 2.962112  728.4871       71.00801 698.5663       
111.6448 748.8125       92.01805 57.32260 4.639099 59.48687 3.684452 -2.164276 
5.924223 
1 1 1 -5  11  29 o 48.30387 3.316222  521.8214       62.59511 422.7899       
104.1218 577.8677       78.33009 44.38055 5.588173 52.22719 3.572342 -7.846634 
6.632444 
1 1 1 -5  11  30 o 79.05678 2.583690  1309.581       84.60597 1436.926       
133.1094 1223.259       109.5920 82.18265 3.857889 75.93092 3.437806 6.251732 
5.167380 
1 1 1 -5  11  31 o 29.49435 5.432095  194.5057       67.65735 253.9470       
106.3149 154.0477       87.71058 33.05079 7.781775 25.93792 7.581202 7.112869 
10.86419 
1 1 1 -5  11  32 o 58.36649 3.163692  724.9699       76.69794 804.5447       
119.4393 669.1314       100.0522 60.98444 4.664977 55.74854 4.274784 5.235897 
6.327384 
1 1 1 -5  11  33 o 16.54944 5.130805  -5.870933      67.29929 -0.4962899E-01 
103.9891 -10.06628      88.27985 17.38374 7.579997 15.71515 6.916956 1.668595 
10.26161 
1 1 1 -5  11  34 o 85.93307 3.252106  1542.685       108.4923 1815.559       
201.3399 1431.034       128.7893 90.46198 5.301331 81.40416 3.768377 9.057823 
6.504212 
1 1 1 -5  11  35 o 51.33606 5.448687  592.4260       117.4339 0.000000       
0.000000 592.4260       117.4339 ?        ?        51.33606 5.448687 ? ? 
1 1 1 -5  11  36 o 62.41095 4.465248  897.3626       105.0937 938.3744       
197.5210 881.1678       124.1209 61.97813 7.590945 62.84377 4.704393 
-0.8656387     8.930496 
1 1 1 -5  11  37 o 29.36901 6.019329  242.7147       85.23963 138.0197       
123.5043 337.9500       117.7926 23.12873 8.937858 35.60928 8.064983 -12.48055 
12.03866 
1 1 1 -5  12  1  o 326.4181 5.700509  22261.65       692.0526 22883.79       
1344.931 22037.60       807.1035 329.1875 9.731457 323.6487 5.939863 5.538788 
11.40102 
1 1 1 -5  12  2  o 573.2426 6.483870  68915.13       1477.195 68032.88       
1811.563 70665.84       2551.895 568.2710 7.593100 578.2142 10.51224 -9.943176 
12.96774 
1 1 1 -5  12  3  o 305.6467 2.763060  19629.73       354.4795 19664.04       
496.3003 19594.01       506.4738 305.9225 3.864151 305.3709 3.950485 0.5516357 
5.526119 
1 1 1 -5  12  4  o 575.4351 6.777078  69809.52       1631.911 68791.05       
2212.820 71023.94       2416.325 570.9570 9.231318 579.9131 9.924612 -8.956177 
13.55416 
1 1 1 -5  12  5  o 95.97142 1.769740  1932.736       71.27600 1858.907       
99.36663 2010.982       102.2962 94.08481 2.515603 97.85804 2.489912 -3.773232 
3.539480 
1 1 1 -5  12  6  o 359.0799 4.364761  27125.53       656.3754 27059.29       
896.7158 27201.97       963.3749 358.6371 5.955533 359.5226 6.382490 
-0.8854980     8.729522 
1 1 1 -5  12  7  o 231.9001 2.308719  11292.63       224.7317 10993.14       
314.7980 11603.89       320.9280 228.7651 3.277656 235.0351 3.252340 -6.270035 
4.617439 
1 1 1 -5  12  8  o 389.4843 4.251798  31688.91       558.4835 32304.14       
1247.261 31534.62       624.5972 391.5649 7.587079 387.4038 3.840230 4.161072 
8.503595 
1 1 1 -5  12  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  12  10 o 99.73180 2.145333  2101.548       89.29550 1920.891       
129.6292 2264.685       123.1831 95.62480 3.228891 103.8388 2.825612 -8.213989 
4.290666 
1 1 1 -5  12  11 o 59.15909 2.151355  735.0888       53.10086 735.8704       
79.68295 734.4645       71.21964 59.18515 3.206814 59.13303 2.868737 
0.5212021E-01  4.302709 
1 1 1 -5  12  12 o 251.8979 3.876303  13293.73       381.3301 13508.26       
680.3273 13195.46       460.4614 253.2655 6.398274 250.5302 4.377782 2.735306 
7.752605 
1 1 1 -5  12  13 o 188.5960 2.909117  7539.371       220.1223 7263.031       
366.9911 7694.651       275.1020 185.8322 4.703875 191.3598 3.424239 -5.527634 
5.818234 
1 1 1 -5  12  14 o 313.3348 4.370123  20625.79       526.5840 20832.12       
964.2842 20538.11       628.5861 314.2207 7.309562 312.4490 4.791889 1.771698 
8.740246 
1 1 1 -5  12  15 o 219.0507 2.663656  9860.602       204.3098 10502.53       
438.0820 9682.168       230.9661 223.4137 4.670536 214.6878 2.562488 8.725891 
5.327312 
1 1 1 -5  12  16 o 164.1249 3.278775  5623.102       215.7151 5825.400       
366.9252 5516.251       266.6659 166.2997 5.255417 161.9501 3.921998 4.349579 
6.557551 
1 1 1 -5  12  17 o 109.6724 2.254636  2533.869       102.2663 2497.704       
158.3370 2559.754       133.9543 108.9852 3.460478 110.3596 2.891130 -1.374458 
4.509273 
1 1 1 -5  12  18 o 107.4513 2.472821  2436.220       110.7131 2363.875       
165.7451 2494.507       148.7706 105.9913 3.724703 108.9113 3.253608 -2.919998 
4.945642 
1 1 1 -5  12  19 o 64.98351 2.289686  888.0134       61.97496 890.8716       
93.78651 885.7980       82.57227 65.06776 3.433172 64.89926 3.030509 0.1685028 
4.579372 
1 1 1 -5  12  20 o 140.3762 2.731796  4080.981       153.4997 4380.875       
263.9797 3927.780       188.6768 144.1388 4.362252 136.6136 3.289619 7.525162 
5.463592 
1 1 1 -5  12  21 o 98.30096 2.155816  2007.469       85.20095 2122.580       
144.6463 1946.311       105.4322 100.3989 3.431622 96.20303 2.610391 4.195862 
4.311632 
1 1 1 -5  12  22 o 193.1367 3.011076  7799.298       219.0902 8028.566       
417.1861 7711.988       257.4495 194.8713 5.099210 191.4022 3.203807 3.469177 
6.022152 
1 1 1 -5  12  23 o 97.10948 2.252499  1967.877       85.29581 2031.079       
153.1720 1939.469       102.6913 98.18214 3.715933 96.03681 2.546929 2.145332 
4.504998 
1 1 1 -5  12  24 o 111.8604 2.300169  2621.227       104.8384 2688.986       
171.1985 2580.570       132.6121 112.9728 3.609501 110.7480 2.852122 2.224762 
4.600337 
1 1 1 -5  12  25 o 42.53166 3.970152  365.5351       65.31355 587.9662       
106.0837 229.7488       82.88556 52.72717 4.792202 32.33615 6.331132 20.39101 
7.940305 
1 1 1 -5  12  26 o 94.17393 2.044239  1897.188       78.89120 1717.853       
122.4557 2024.435       103.1499 90.27001 3.231145 98.07784 2.505065 -7.807831 
4.088478 
1 1 1 -5  12  27 o 81.44270 2.562660  1383.418       85.80141 1489.315       
138.0536 1316.768       109.5233 83.90331 3.919131 78.98209 3.302927 4.921219 
5.125321 
1 1 1 -5  12  28 o 127.9716 2.514517  3449.249       130.5574 3522.510       
215.1856 3406.571       164.2406 128.9201 3.975701 127.0232 3.079772 1.896873 
5.029035 
1 1 1 -5  12  29 o 129.2307 2.250024  3508.268       112.3973 3593.011       
204.5611 3471.620       134.5233 130.1567 3.743498 128.3047 2.497330 1.851974 
4.500048 
1 1 1 -5  12  30 o 66.91687 2.994759  950.0773       83.25249 993.0118       
128.4697 918.9937       109.3107 68.14471 4.490448 65.68904 3.963611 2.455666 
5.989519 
1 1 1 -5  12  31 o 26.78442 5.701301  161.7858       68.55237 187.3908       
106.8801 143.8902       89.35271 28.40308 8.390246 25.16576 7.721600 3.237318 
11.40260 
1 1 1 -5  12  32 o 68.01273 2.984681  991.4052       83.91549 1019.613       
131.3512 971.9526       109.0775 68.68861 4.554810 67.33685 3.858366 1.351761 
5.969361 
1 1 1 -5  12  33 o 17.80411 5.259423  27.32220       63.60104 42.16443       
104.7955 18.66743       80.02413 19.27135 7.966443 16.33687 6.868908 2.934483 
10.51885 
1 1 1 -5  12  34 o 58.15430 3.061477  737.0573       74.73385 733.8232       
106.5250 740.1920       104.8736 58.00655 4.374169 58.30206 4.284532 
-0.2955055     6.122954 
1 1 1 -5  12  35 o 18.81395 5.488367  47.80087       69.63554 54.38753       
105.7266 42.75434       92.54382 19.47544 8.020475 18.15245 7.494042 1.322992 
10.97673 
1 1 1 -5  12  36 o 33.28718 6.035134  283.5264       84.81600 357.1917       
129.9773 228.8965       111.9313 37.06287 8.525422 29.51150 8.544504 7.551374 
12.07027 
1 1 1 -5  12  37 o 34.06234 5.179506  323.8512       86.37160 67.18651       
126.8249 545.8621       117.9529 20.07021 8.551468 48.05447 5.846498 -27.98426 
10.35901 
1 1 1 -5  13  1  o 211.5716 2.705767  9412.711       239.6740 9314.819       
351.3254 9497.930       327.7969 210.5333 3.974750 212.6099 3.672337 -2.076584 
5.411534 
1 1 1 -5  13  2  o 273.2615 4.248094  15905.38       414.5111 15348.87       
843.2902 16082.67       475.9818 269.8902 7.442367 276.6328 4.098339 -6.742584 
8.496188 
1 1 1 -5  13  3  o 75.13972 1.877395  1181.611       59.11251 1091.965       
81.06419 1283.410       86.38467 72.10652 2.677784 78.17293 2.632094 -6.066406 
3.754790 
1 1 1 -5  13  4  o 431.3718 5.849264  39264.55       1058.680 38293.45       
1511.065 40200.80       1483.708 426.0879 8.447050 436.6558 8.093386 -10.56793 
11.69853 
1 1 1 -5  13  5  o 344.2805 3.099921  24170.38       378.2489 23557.46       
429.0549 26308.36       801.3364 334.8914 3.051616 353.6697 5.396821 -18.77838 
6.199842 
1 1 1 -5  13  6  o 427.8648 3.302830  38498.01       553.6019 38452.52       
977.8903 38519.46       671.5831 427.5652 5.447646 428.1645 3.736029 
-0.5992737     6.605661 
1 1 1 -5  13  7  f 461.2260 6.544366  44440.79       1161.598 46117.05       
2137.887 43738.64       1383.656 466.8055 10.90862 455.6465 7.233043 11.15897 
13.08873 
1 1 1 -5  13  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  13  9  o 407.5648 4.551066  34655.50       668.2991 35599.61       
1363.037 34356.71       766.7913 410.8731 7.901707 404.2565 4.517947 6.616547 
9.102133 
1 1 1 -5  13  10 o 24.43129 4.534845  112.3766       50.51483 217.9839       
80.70055 44.33946       64.77422 31.62632 6.301230 17.23626 6.523327 14.39006 
9.069691 
1 1 1 -5  13  11 o 268.9882 2.792831  14925.24       240.1759 15647.17       
579.1384 14775.28       263.9434 272.7337 5.057834 265.2427 2.370218 7.490997 
5.585662 
1 1 1 -5  13  12 o 115.1003 2.270629  2684.753       102.0734 3050.785       
186.6629 2528.609       121.9163 120.4815 3.690276 109.7191 2.646677 10.76245 
4.541259 
1 1 1 -5  13  13 o 50.51170 2.807253  534.2767       58.86064 550.2668       
90.88696 522.7254       77.24904 51.15484 4.231905 49.86856 3.689668 1.286274 
5.614506 
1 1 1 -5  13  14 o 307.2974 5.484898  19991.83       675.2971 19813.91       
1137.195 20088.75       839.3032 305.9396 8.853604 308.6551 6.476890 -2.715454 
10.96980 
1 1 1 -5  13  15 o 206.8375 3.292934  8997.552       269.0221 9024.317       
468.1485 8984.354       328.7178 206.9749 5.387496 206.7000 3.787946 0.2749176 
6.585867 
1 1 1 -5  13  16 o 235.0541 3.012012  11616.25       270.0123 11654.27       
500.7972 11600.67       320.6035 235.2008 5.071591 234.9074 3.250818 0.2934113 
6.024023 
1 1 1 -5  13  17 o 19.39002 4.939330  66.93794       51.40514 46.61931       
81.99577 80.09505       65.98184 18.73973 7.274171 20.04031 6.683887 -1.300577 
9.878659 
1 1 1 -5  13  18 o 101.3487 1.998270  2146.338       82.17004 2209.895       
135.7473 2109.583       103.2306 102.5069 3.154271 100.1905 2.454161 2.316391 
3.996540 
1 1 1 -5  13  19 o 119.4938 2.541334  2991.433       123.9324 3066.862       
201.5118 2945.546       157.1715 120.6613 3.977895 118.3262 3.163836 2.335159 
5.082668 
1 1 1 -5  13  20 o 119.1614 2.409086  2969.449       114.3816 3052.445       
196.7229 2927.060       140.5883 120.3579 3.893151 117.9648 2.838689 2.393135 
4.818172 
1 1 1 -5  13  21 o 66.77478 2.584505  936.0316       71.62733 961.3344       
110.5872 917.7454       94.01202 67.53255 3.900434 66.01702 3.391943 1.515526 
5.169010 
1 1 1 -5  13  22 f 122.3354 2.643485  3160.186       133.1876 3118.721       
209.0643 3188.510       172.7892 121.6125 4.094707 123.0584 3.344462 -1.445953 
5.286970 
1 1 1 -5  13  23 o 179.7175 3.234539  6796.162       237.1124 6912.466       
385.2747 6725.252       300.8332 180.8341 5.074709 178.6010 4.012019 2.233170 
6.469078 
1 1 1 -5  13  24 o 132.5996 2.825666  3719.059       151.0937 3667.973       
250.5216 3748.265       189.4228 131.7949 4.527595 133.4044 3.382075 -1.609421 
5.651331 
1 1 1 -5  13  25 o 108.7378 2.278288  2495.218       102.1948 2467.670       
159.6934 2514.324       132.9931 108.1916 3.515721 109.2840 2.898636 -1.092407 
4.556576 
1 1 1 -5  13  26 o 30.57557 4.995632  214.0259       63.70385 153.9508       
101.4845 253.0900       81.83537 26.66532 8.238773 34.48581 5.652254 -7.820492 
9.991264 
1 1 1 -5  13  27 o 126.1981 2.799369  3401.330       146.2700 3160.714       
221.4651 3587.499       194.8042 122.1044 4.320113 130.2918 3.561249 -8.187416 
5.598738 
1 1 1 -5  13  28 o 123.4468 2.186165  3228.533       112.1005 3143.299       
170.2002 3293.837       148.9789 121.9456 3.324414 124.9479 2.839989 -3.002380 
4.372330 
1 1 1 -5  13  29 o 16.15201 4.829587  8.438404       55.46398 11.86728       
87.78277 6.159986       71.55672 17.04649 7.181995 15.25753 6.458992 1.788957 
9.659174 
1 1 1 -5  13  30 o 34.54510 4.856822  269.3502       68.84030 304.9305       
94.90596 229.8449       100.0037 37.46655 6.033522 31.62366 7.612588 5.842884 
9.713644 
1 1 1 -5  13  31 o 42.29044 4.286481  381.1708       75.05891 472.9775       
117.7512 318.3360       97.41548 46.47062 6.035426 38.11025 6.088457 8.360363 
8.572962 
1 1 1 -5  13  32 o 85.74908 2.701778  1592.940       95.02053 1489.582       
148.4385 1664.698       123.6822 83.15543 4.251842 88.34274 3.334706 -5.187309 
5.403556 
1 1 1 -5  13  33 o 51.84456 3.654653  587.2491       78.95444 616.1071       
120.2538 565.3831       104.6767 52.84317 5.420394 50.84596 4.903597 1.997208 
7.309305 
1 1 1 -5  13  34 o 23.94793 5.821164  130.3259       70.60485 160.8037       
107.4408 107.1600       93.67033 25.79891 8.529068 22.09695 7.924569 3.701954 
11.64233 
1 1 1 -5  13  35 o 53.24742 3.418912  622.7830       75.20396 662.7778       
118.7126 595.9731       97.19466 54.44231 5.193752 52.05253 4.447558 2.389778 
6.837824 
1 1 1 -5  13  36 o 17.65877 5.182522  12.34928       71.34929 -104.2011      
107.6303 103.7207       95.29779 13.92683 6.647286 21.39071 7.952844 -7.463877 
10.36504 
1 1 1 -5  13  37 o 55.76341 4.533283  771.7462       100.0943 523.6246       
143.8290 1004.772       139.3850 45.36856 7.551139 66.15827 5.018258 -20.78971 
9.066566 
1 1 1 -5  14  1  o 345.9940 3.366120  24855.35       421.5245 25812.85       
856.4435 24549.26       484.2363 350.1738 5.825540 341.8141 3.374337 8.359711 
6.732241 
1 1 1 -5  14  2  o 183.8709 3.418843  7170.832       245.5319 6943.536       
432.6400 7278.819       298.2074 181.6387 5.673348 186.1030 3.816682 -4.464355 
6.837686 
1 1 1 -5  14  3  o 261.9603 3.074343  14345.88       323.7699 14151.44       
402.1267 14704.25       545.9131 259.5047 3.690955 264.4160 4.917641 -4.911346 
6.148686 
1 1 1 -5  14  4  o 267.5894 2.421709  14822.34       253.5361 14448.24       
305.3358 15653.01       454.9859 262.2737 2.772962 272.9052 3.971068 -10.63141 
4.843418 
1 1 1 -5  14  5  o 237.1149 3.294265  11709.88       286.6180 12052.74       
569.2124 11593.43       331.7433 239.3240 5.665122 234.9058 3.363795 4.418198 
6.588529 
1 1 1 -5  14  6  o 179.5969 2.524419  6678.101       174.4999 7025.637       
322.3195 6534.003       207.5470 182.8201 4.199366 176.3738 2.802873 6.446350 
5.048839 
1 1 1 -5  14  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  14  8  o 222.2440 3.044986  10273.83       245.4483 10602.58       
496.4021 10167.44       282.3830 224.4902 5.266926 219.9977 3.057325 4.492554 
6.089971 
1 1 1 -5  14  9  o 160.8217 2.343942  5338.207       145.1005 5673.705       
268.6028 5199.957       172.4238 164.2987 3.894013 157.3446 2.610156 6.954102 
4.687884 
1 1 1 -5  14  10 o 176.0548 2.351246  6554.394       155.3097 6419.785       
294.2272 6606.387       182.8606 174.7549 4.010277 177.3547 2.455832 -2.599716 
4.702492 
1 1 1 -5  14  11 o 257.0349 3.108073  14036.10       318.0865 13436.51       
538.0826 14358.18       394.3727 252.6953 5.071926 261.3745 3.593889 -8.679245 
6.216146 
1 1 1 -5  14  12 o 174.8552 2.739846  6432.875       191.3403 6411.339       
325.0187 6444.296       236.7055 174.5901 4.434144 175.1202 3.219534 
-0.5301208     5.479693 
1 1 1 -5  14  13 o 369.1766 6.242835  28905.63       924.9029 28685.88       
1552.167 29026.62       1151.702 367.6178 10.05687 370.7354 7.399411 -3.117615 
12.48567 
1 1 1 -5  14  14 o 190.9866 3.449198  7730.201       269.6444 7442.877       
427.9940 7919.308       347.2205 187.9585 5.423714 194.0147 4.262770 -6.056152 
6.898397 
1 1 1 -5  14  15 o 287.4028 3.713227  17446.75       404.1895 17309.83       
756.1533 17501.52       478.2475 286.3735 6.289240 288.4322 3.949390 -2.058746 
7.426454 
1 1 1 -5  14  16 o 45.12363 3.094555  433.6539       57.33745 403.0282       
89.24378 455.1821       74.82361 43.73536 4.860336 46.51189 3.831737 -2.776531 
6.189110 
1 1 1 -5  14  17 o 75.29829 1.982418  1190.197       61.17987 1199.728       
97.94746 1184.099       78.34239 75.53365 3.088686 75.06293 2.485950 0.4707184 
3.964836 
1 1 1 -5  14  18 o 152.4682 2.635579  4914.314       162.4909 4817.851       
267.3312 4970.834       204.6304 151.2155 4.210894 153.7209 3.170723 -2.505356 
5.271159 
1 1 1 -5  14  19 o 147.2672 2.207226  4613.421       134.4761 4217.904       
203.1339 4921.988       179.4216 141.5524 3.418112 152.9820 2.793544 -11.42964 
4.414451 
1 1 1 -5  14  20 o 88.16327 2.387935  1643.163       87.19019 1594.720       
133.7586 1678.955       114.9735 87.00545 3.661815 89.32109 3.065949 -2.315643 
4.775870 
1 1 1 -5  14  21 o 62.79935 2.329523  833.8964       60.58632 807.6596       
92.89478 853.3182       79.92458 61.91954 3.573425 63.67917 2.989537 -1.759636 
4.659045 
1 1 1 -5  14  22 o 65.91074 2.659901  921.8726       71.97167 883.1678       
113.1258 948.1918       93.28596 64.71208 4.163873 67.10940 3.310961 -2.397316 
5.319802 
1 1 1 -5  14  23 o 225.8150 3.996142  10833.09       358.9883 10688.61       
612.7821 10908.58       442.9595 224.3442 6.505975 227.2859 4.642080 -2.941696 
7.992285 
1 1 1 -5  14  24 o 128.9399 2.603072  3466.970       132.6289 3614.763       
232.7280 3395.884       161.4035 130.8673 4.235831 127.0125 3.026827 3.854790 
5.206145 
1 1 1 -5  14  25 o 92.18924 2.040220  1780.557       76.36322 1824.779       
125.8002 1754.755       96.09225 93.05613 3.220011 91.32236 2.506296 1.733772 
4.080440 
1 1 1 -5  14  26 o 42.14442 3.949465  378.8428       67.76897 375.4727       
109.8509 380.9135       86.10748 41.91864 6.241911 42.37020 4.840624 
-0.4515648     7.898930 
1 1 1 -5  14  27 o 123.3337 2.566187  3198.589       124.9906 3268.952       
218.4717 3164.352       152.3952 124.1877 4.190227 122.4798 2.963657 1.707970 
5.132374 
1 1 1 -5  14  28 o 103.4065 2.432922  2243.677       101.5685 2328.804       
170.0300 2196.447       126.6479 104.8150 3.863877 101.9981 2.957514 2.816872 
4.865843 
1 1 1 -5  14  29 f 57.29202 3.318463  701.1899       79.65032 701.2722       
116.4668 701.1179       109.1719 57.26256 4.844538 57.32148 4.536434 
-0.5892563E-01 6.636926 
1 1 1 -5  14  30 o 38.02003 4.884668  328.6793       75.06866 268.5227       
109.8364 381.4115       102.8354 34.12063 7.829261 41.91942 5.843166 -7.798790 
9.769336 
1 1 1 -5  14  31 o 62.66741 3.220970  851.8124       84.01439 776.5837       
123.3946 916.8231       114.7088 59.94479 4.903046 65.39003 4.178366 -5.445244 
6.441940 
1 1 1 -5  14  32 o 21.63907 5.303999  53.13894       68.82020 199.1467       
106.3597 -52.01731      90.26235 28.89694 8.317004 14.38121 6.584607 14.51574 
10.60800 
1 1 1 -5  14  33 f 37.93087 4.379776  318.2634       65.57072 475.7376       
101.0847 203.8676       86.15607 46.51185 5.176581 29.34988 7.066312 17.16197 
8.759552 
1 1 1 -5  14  34 o 52.10020 3.640361  605.9175       78.72935 562.8014       
117.6231 640.9117       105.9671 50.16608 5.584750 54.03433 4.671134 -3.868248 
7.280723 
1 1 1 -5  14  35 f 36.44585 4.992383  306.8236       74.27560 485.3463       
115.0558 179.2639       97.25651 46.12729 5.941166 26.76441 8.024844 19.36287 
9.984767 
1 1 1 -5  14  36 o 22.92990 5.580917  99.02719       72.64304 230.0566       
111.7752 3.215358       95.58080 29.52739 8.535123 16.33241 7.192930 13.19498 
11.16183 
1 1 1 -5  14  37 o 21.30377 5.691679  92.64382       73.04489 185.1510       
112.2309 24.65995       96.21162 25.74789 8.717120 16.85964 7.320701 8.888252 
11.38336 
1 1 1 -5  15  1  o 238.7155 3.748810  12131.46       353.6872 11586.98       
606.9236 12411.45       435.2277 234.4957 6.164818 242.9353 4.267239 -8.439636 
7.497620 
1 1 1 -5  15  2  o 60.12564 2.408708  775.2833       58.43098 699.4663       
94.36194 822.4331       74.41388 57.68235 3.896503 62.56893 2.832802 -4.886585 
4.817417 
1 1 1 -5  15  3  o 113.8927 1.832435  2719.737       87.18568 2677.073       
117.1711 2772.659       130.5016 112.8970 2.472061 114.8884 2.705584 -1.991386 
3.664870 
1 1 1 -5  15  4  o 59.30256 2.209189  743.6777       54.62179 684.6061       
80.00952 795.2411       74.75196 57.07896 3.338771 61.52615 2.893902 -4.447189 
4.418378 
1 1 1 -5  15  5  o 121.3230 2.123793  3093.564       106.0442 3086.151       
167.3091 3098.542       137.1003 121.1916 3.288273 121.4543 2.688726 
-0.2626266     4.247586 
1 1 1 -5  15  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  15  7  o 432.1135 4.876796  39194.59       757.3904 39701.64       
1544.628 39034.09       869.0334 433.4633 8.487748 430.7637 4.805277 2.699677 
9.753592 
1 1 1 -5  15  8  o 168.4315 2.553924  5723.274       157.3021 6452.187       
320.7245 5492.397       180.5031 175.1623 4.361265 161.7008 2.658849 13.46156 
5.107848 
1 1 1 -5  15  9  o 116.6443 2.025975  2795.658       94.41730 3059.528       
163.7154 2664.157       115.5737 120.6651 3.231685 112.6235 2.444281 8.041618 
4.051950 
1 1 1 -5  15  10 o 206.9646 3.466361  8912.575       280.8411 9293.155       
501.9005 8739.100       338.8555 210.0563 5.691189 203.8729 3.958914 6.183411 
6.932722 
1 1 1 -5  15  11 o 220.6812 2.779918  10130.55       227.3792 10474.19       
445.0843 10009.19       264.4991 223.1007 4.751846 218.2617 2.886475 4.839035 
5.559836 
1 1 1 -5  15  12 o 229.7910 3.329457  11214.48       309.5901 10723.39       
505.0658 11510.05       391.8335 225.6402 5.331539 233.9418 3.989465 -8.301636 
6.658914 
1 1 1 -5  15  13 o 71.61706 2.310239  1081.656       67.91746 1061.167       
107.5050 1095.266       87.61699 71.04009 3.604508 72.19402 2.890734 -1.153931 
4.620479 
1 1 1 -5  15  14 o 239.0845 4.148793  12014.14       390.6503 12185.90       
685.3997 11931.50       475.4330 240.1449 6.798163 238.0242 4.757616 2.120773 
8.297585 
1 1 1 -5  15  15 o 82.33284 2.161622  1399.784       73.40440 1556.685       
117.4968 1299.346       94.00736 86.04153 3.252663 78.62414 2.847915 7.417397 
4.323244 
1 1 1 -5  15  16 o 141.0972 2.300709  4168.435       127.9015 4241.227       
224.4688 4133.440       155.6384 141.9594 3.766283 140.2351 2.643512 1.724289 
4.601418 
1 1 1 -5  15  17 o 117.4843 2.413582  2925.691       117.4358 2761.856       
178.6489 3050.357       155.8371 114.5408 3.715020 120.4278 3.082230 -5.886993 
4.827164 
1 1 1 -5  15  18 o 159.9664 2.359262  5417.029       155.3701 5218.629       
242.5827 5555.024       202.3120 157.4249 3.670351 162.5078 2.965300 -5.082886 
4.718524 
1 1 1 -5  15  19 o 194.6038 2.589980  7964.208       192.3977 8008.583       
356.4521 7945.964       228.5495 194.8463 4.357426 194.3613 2.800862 0.4850464 
5.179960 
1 1 1 -5  15  20 o 87.13441 2.155460  1563.267       76.88811 1749.798       
126.0882 1452.845       97.01258 91.16418 3.294362 83.10464 2.780506 8.059540 
4.310920 
1 1 1 -5  15  21 o 196.7656 2.879461  8060.729       207.8546 8376.899       
413.6806 7953.953       240.4040 199.1040 4.948872 194.4272 2.945139 4.676819 
5.758922 
1 1 1 -5  15  22 o 122.0119 2.129180  3153.865       108.1140 2941.404       
160.6027 3329.934       146.2024 118.2056 3.236204 125.8182 2.767783 -7.612587 
4.258361 
1 1 1 -5  15  23 o 91.42574 2.424181  1775.256       90.90555 1688.015       
142.9417 1834.503       117.7960 89.48846 3.804635 93.36302 3.005223 -3.874557 
4.848362 
1 1 1 -5  15  24 o 66.70669 2.760154  971.8618       74.39869 782.1317       
114.7719 1109.367       97.70737 60.83915 4.493385 72.57423 3.206756 -11.73509 
5.520308 
1 1 1 -5  15  25 o 112.8043 2.550462  2700.260       118.4189 2605.337       
185.0478 2766.092       154.1054 111.0540 3.968907 114.5547 3.204248 -3.500664 
5.100924 
1 1 1 -5  15  26 o 119.8296 2.428407  3022.725       118.2966 3067.840       
193.7728 2995.921       149.3600 120.4555 3.831664 119.2037 2.984459 1.251785 
4.856814 
1 1 1 -5  15  27 o 87.73740 2.499134  1665.120       89.85053 1391.792       
135.1712 1881.495       120.2665 81.05435 3.972178 94.42044 3.033889 -13.36609 
4.998268 
1 1 1 -5  15  28 o 41.65555 4.573172  420.5558       70.65179 239.1174       
109.2391 551.0294       92.63488 32.40683 8.054037 50.90427 4.334524 -18.49744 
9.146344 
1 1 1 -5  15  29 o 31.15755 5.582727  221.1044       73.05773 244.2297       
108.1117 201.6688       99.11238 32.62283 7.954240 29.69227 7.835652 2.930557 
11.16545 
1 1 1 -5  15  30 o 82.67086 2.889114  1452.316       96.97992 1489.240       
159.5886 1430.696       122.1138 83.32440 4.561953 82.01732 3.546338 1.307083 
5.778229 
1 1 1 -5  15  31 o 34.82404 5.263156  279.5568       74.72307 332.7961       
109.6830 233.4466       102.0754 38.08431 7.123812 31.56376 7.749488 6.520554 
10.52631 
1 1 1 -5  15  32 o 42.22698 4.393499  388.6293       77.09219 469.1429       
118.8076 330.0750       101.3186 45.94972 6.158607 38.50424 6.267607 7.445484 
8.786999 
1 1 1 -5  15  33 o 17.66541 5.349382  14.51487       70.01096 26.79434       
107.7508 5.543191       92.10165 18.69149 7.919971 16.63932 7.192887 2.052172 
10.69876 
1 1 1 -5  15  34 o 33.79552 5.291376  285.6873       74.58965 200.5600       
114.1424 349.1332       98.54041 28.28432 8.737177 39.30671 5.971297 -11.02239 
10.58275 
1 1 1 -5  15  35 o 26.16869 5.102936  164.8217       72.55575 -5.504144      
110.0253 295.8877       96.51556 17.19120 7.625638 35.14618 6.783028 -17.95498 
10.20587 
1 1 1 -5  15  36 o 33.08968 5.211452  284.2777       70.53316 219.9942       
114.6879 323.3815       89.44935 28.69397 8.736802 37.48539 5.683767 -8.791414 
10.42290 
1 1 1 -5  15  37 o 25.56929 5.989430  183.0844       76.01162 151.9756       
115.3307 206.9751       101.0690 23.68360 8.760140 27.45497 8.170254 -3.771374 
11.97886 
1 1 1 -5  16  1  o 135.7446 4.533329  3878.029       258.3561 3878.029       
258.3561 0.000000       0.000000 135.7446 4.533329 ?        ?        ? ? 
1 1 1 -5  16  2  o 184.6804 2.508943  7180.586       190.3003 7120.462       
301.6259 7220.344       245.2791 184.0082 3.904384 185.3526 3.151977 -1.344376 
5.017886 
1 1 1 -5  16  3  o 17.74591 4.524952  55.36871       43.61055 27.26038       
70.71453 72.62085       55.40039 16.61422 6.663135 18.87760 6.124001 -2.263388 
9.049904 
1 1 1 -5  16  4  o 158.1483 2.791629  5266.657       185.0759 4982.233       
263.4341 5543.866       260.0720 153.9171 4.076675 162.3795 3.814903 -8.462326 
5.583258 
1 1 1 -5  16  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  16  6  o 258.2169 4.785697  14065.15       495.7028 14061.75       
616.1242 14071.41       834.6786 258.3628 5.680143 258.0709 7.703735 0.2919617 
9.571393 
1 1 1 -5  16  7  o 177.0665 2.650811  6575.685       188.5603 6646.539       
317.3771 6537.031       234.4181 177.7625 4.252619 176.3704 3.165822 1.392136 
5.301622 
1 1 1 -5  16  8  o 338.3715 4.750933  24141.12       642.3850 24209.10       
1091.302 24105.06       794.6429 338.4729 7.679660 338.2701 5.595380 0.2028809 
9.501865 
1 1 1 -5  16  9  o 296.8008 3.867585  18253.25       386.8583 19068.37       
869.7365 18052.21       431.9397 300.5604 6.892504 293.0412 3.510877 7.519226 
7.735171 
1 1 1 -5  16  10 o 264.0283 4.500973  14518.76       452.4315 15151.91       
849.4567 14268.02       534.5621 267.7283 7.557324 260.3284 4.891001 7.399933 
9.001946 
1 1 1 -5  16  11 o 97.28915 2.115145  2000.552       84.11651 1938.393       
134.2688 2040.708       107.9193 96.02454 3.330534 98.55376 2.608237 -2.529221 
4.230291 
1 1 1 -5  16  12 o 88.33340 2.109930  1633.396       76.61089 1671.972       
122.0680 1608.326       98.40463 89.17973 3.260293 87.48708 2.679123 1.692657 
4.219860 
1 1 1 -5  16  13 o 218.2661 2.947846  9847.886       245.9627 10459.73       
460.6291 9603.854       290.9071 222.8097 4.924231 213.7226 3.242089 9.087097 
5.895693 
1 1 1 -5  16  14 o 69.20707 2.350878  996.3842       66.83733 1058.851       
107.5304 957.0565       85.32120 70.94396 3.610248 67.47018 3.012078 3.473785 
4.701755 
1 1 1 -5  16  15 o 115.0752 2.146415  2774.641       101.9115 2837.467       
160.4749 2732.177       131.9310 116.1457 3.290979 114.0047 2.756419 2.140999 
4.292830 
1 1 1 -5  16  16 o 67.68080 2.207455  956.4813       61.33037 996.4150       
98.48209 931.1824       78.38593 68.81318 3.408840 66.54842 2.805572 2.264755 
4.414910 
1 1 1 -5  16  17 o 141.1623 2.853127  4154.234       159.1719 4330.339       
279.2198 4069.456       193.7332 143.2689 4.642108 139.0557 3.318458 4.213211 
5.706254 
1 1 1 -5  16  18 o 317.7858 5.744404  21439.35       722.2288 21909.10       
1256.592 21207.62       882.5668 319.5027 9.367868 316.0690 6.650996 3.433624 
11.48881 
1 1 1 -5  16  19 o 145.3860 2.780882  4457.492       164.6820 4448.419       
267.3319 4463.042       209.0589 145.1924 4.385589 145.5795 3.420500 
-0.3871002     5.561763 
1 1 1 -5  16  20 o 97.69804 2.378292  1976.053       93.34802 2124.583       
159.3016 1898.381       115.1985 100.4074 3.778989 94.98872 2.888656 5.418648 
4.756584 
1 1 1 -5  16  21 o 64.23895 2.730556  881.5604       72.27883 798.0207       
110.2824 944.4648       95.69757 61.50612 4.270797 66.97178 3.403534 -5.465660 
5.461113 
1 1 1 -5  16  22 o 86.83962 2.170674  1576.721       76.81493 1629.963       
125.6247 1544.927       97.07773 87.97706 3.401156 85.70219 2.698042 2.274872 
4.341347 
1 1 1 -5  16  23 o 132.6757 2.381186  3679.650       125.5662 3795.096       
217.2330 3621.724       153.8766 134.1557 3.856895 131.1957 2.793663 2.959961 
4.762372 
1 1 1 -5  16  24 o 95.31615 2.427056  1924.093       95.35561 1867.266       
148.6025 1963.870       124.3276 94.07336 3.762536 96.55895 3.066875 -2.485596 
4.854111 
1 1 1 -5  16  25 o 56.71507 3.072845  690.9967       70.90965 636.4183       
112.7955 726.6617       91.18066 54.77143 4.905224 58.65870 3.702468 -3.887276 
6.145689 
1 1 1 -5  16  26 o 57.12365 2.660779  677.5494       63.08735 774.5743       
98.72832 610.5922       82.01607 60.50267 3.886765 53.74464 3.634836 6.758026 
5.321558 
1 1 1 -5  16  27 o 90.34761 2.641516  1748.557       98.66702 1589.157       
148.9942 1873.057       131.6773 86.55798 4.099996 94.13723 3.331737 -7.579247 
5.283033 
1 1 1 -5  16  28 o 55.81252 3.193856  674.9731       73.28036 595.2399       
111.4436 735.7090       97.26543 52.75965 5.031232 58.86539 3.935677 -6.105747 
6.387711 
1 1 1 -5  16  29 o 66.65739 3.239787  941.9392       90.25746 1052.506       
135.4238 853.5743       121.0662 70.14071 4.598814 63.17408 4.564625 6.966625 
6.479575 
1 1 1 -5  16  30 o 47.55886 3.917926  490.9248       77.98840 492.3023       
114.8842 489.7475       106.2103 47.55918 5.753695 47.55854 5.319357 
0.6370544E-03  7.835852 
1 1 1 -5  16  31 o 122.0775 2.825408  3197.257       143.5751 3180.485       
217.2505 3210.262       191.3067 121.6218 4.254715 122.5332 3.718753 
-0.9114227     5.650816 
1 1 1 -5  16  32 o 62.74959 3.471739  849.7924       90.04799 907.8570       
142.0408 810.7748       116.4363 64.35217 5.257401 61.14701 4.535594 3.205151 
6.943478 
1 1 1 -5  16  33 o 23.23441 5.839652  118.0900       71.22441 136.4639       
108.7729 104.2988       94.23679 24.42303 8.561221 22.04579 7.944284 2.377237 
11.67930 
1 1 1 -5  16  34 o 88.80814 2.647115  1706.161       98.39525 1714.408       
145.0140 1699.125       133.9477 88.90438 3.885151 88.71191 3.596452 0.1924744 
5.294230 
1 1 1 -5  16  35 o 72.10863 3.199982  1151.913       94.51820 1133.783       
150.0927 1163.827       121.6744 71.22196 5.019572 72.99530 3.970320 -1.773338 
6.399964 
1 1 1 -5  16  36 o 20.51956 5.680449  86.25776       72.97485 44.63631       
110.7469 118.1976       97.01510 18.86508 8.013086 22.17404 8.053599 -3.308952 
11.36090 
1 1 1 -5  16  37 o 64.46272 3.333964  966.4940       87.37221 858.7728       
136.3319 1041.576       113.8189 60.59243 5.359204 68.33301 3.967391 -7.740578 
6.667928 
1 1 1 -5  17  1  o 100.9544 3.478773  2039.181       112.1766 2318.356       
275.8859 1983.883       122.7847 104.7637 6.272487 97.14506 3.010542 7.618622 
6.957547 
1 1 1 -5  17  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  17  3  f 97.87123 3.339145  1898.792       118.0271 2252.765       
247.8408 1794.970       134.2246 103.3513 5.711862 92.39111 3.460373 10.96023 
6.678289 
1 1 1 -5  17  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  17  5  o 119.2819 2.785171  2985.327       137.9853 2941.444       
181.6741 3045.155       212.1277 118.2659 3.658936 120.2979 4.200108 -2.032021 
5.570343 
1 1 1 -5  17  6  o 242.4781 3.148982  12326.75       292.0842 12493.72       
540.3196 12257.82       347.1842 243.5008 5.285321 241.4555 3.424869 2.045364 
6.297964 
1 1 1 -5  17  7  o 192.4785 2.504612  7720.995       191.7323 8005.318       
331.7188 7578.354       234.9548 195.0652 4.050526 189.8918 2.947130 5.173447 
5.009225 
1 1 1 -5  17  8  o 101.5607 2.111294  2181.356       88.36620 2094.244       
137.4025 2242.799       115.3958 99.80793 3.279069 103.3136 2.660442 -3.505630 
4.222588 
1 1 1 -5  17  9  o 86.21440 2.134077  1561.145       76.19805 1569.572       
118.0111 1555.119       99.78749 86.40469 3.253168 86.02410 2.762975 0.3805923 
4.268153 
1 1 1 -5  17  10 o 19.41940 4.623329  72.75399       46.95117 27.53470       
72.94984 104.7314       61.34566 16.82364 6.759107 22.01517 6.309925 -5.191528 
9.246658 
1 1 1 -5  17  11 o 83.14616 2.200181  1477.005       75.54716 1226.951       
110.1628 1699.011       103.8005 76.38094 3.435350 89.91139 2.749830 -13.53046 
4.400363 
1 1 1 -5  17  12 o 123.2849 2.605554  3159.400       128.6974 3325.419       
219.9665 3072.989       158.6941 125.6782 4.168864 120.8917 3.126694 4.786499 
5.211108 
1 1 1 -5  17  13 o 141.1994 2.292391  4187.017       129.1669 4213.061       
220.3226 4173.377       159.4415 141.4919 3.708930 140.9070 2.695193 0.5848999 
4.584782 
1 1 1 -5  17  14 o 139.7465 2.573869  4021.291       142.9044 4382.379       
250.4906 3847.062       173.9981 144.2433 4.136347 135.2498 3.064284 8.993515 
5.147738 
1 1 1 -5  17  15 o 57.36768 2.377267  677.9075       56.57576 791.9061       
88.74447 599.8525       73.43311 61.34135 3.445951 53.39400 3.275824 7.947353 
4.754534 
1 1 1 -5  17  16 o 75.55118 2.131279  1194.010       66.18851 1233.573       
105.6736 1168.470       84.90684 76.55976 3.287659 74.54260 2.713059 2.017159 
4.262557 
1 1 1 -5  17  17 o 143.0403 2.795057  4338.210       164.3374 4179.951       
257.7736 4446.578       213.3064 140.7669 4.361732 145.3136 3.496379 -4.546753 
5.590115 
1 1 1 -5  17  18 o 88.24776 2.438819  1597.841       87.60629 1808.821       
146.2064 1479.660       109.4255 92.64880 3.758786 83.84672 3.108518 8.802086 
4.877639 
1 1 1 -5  17  19 o 180.8250 3.393842  6897.292       248.1545 6944.129       
410.9327 6870.408       311.3318 181.1557 5.403059 180.4943 4.108479 0.6614532 
6.787683 
1 1 1 -5  17  20 o 63.90175 2.588490  862.7343       68.21904 846.8601       
106.4621 873.7929       88.85901 63.37925 4.001003 64.42426 3.285285 -1.045010 
5.176980 
1 1 1 -5  17  21 o 149.0730 2.128655  4593.973       121.1574 4874.747       
227.3294 4482.579       143.1883 152.1249 3.559396 146.0211 2.335677 6.103775 
4.257309 
1 1 1 -5  17  22 o 213.4200 3.319371  9648.769       282.6278 9538.648       
479.9564 9707.225       349.6857 212.2697 5.385610 214.5704 3.881763 -2.300797 
6.638741 
1 1 1 -5  17  23 o 138.1948 2.881097  4028.756       162.2471 4041.751       
263.4114 4020.812       205.9525 138.2825 4.537205 138.1071 3.551993 0.1753693 
5.762195 
1 1 1 -5  17  24 o 169.3839 2.957173  6096.445       202.6927 5945.875       
332.3117 6185.650       255.7825 167.5457 4.724256 171.2221 3.558215 -3.676361 
5.914346 
1 1 1 -5  17  25 f 203.0338 3.446257  8778.771       288.0102 8620.069       
452.0237 8887.230       373.6830 201.2469 5.349992 204.8206 4.345611 -3.573715 
6.892514 
1 1 1 -5  17  26 o 37.52639 4.495997  321.2022       65.76749 251.9218       
103.6901 367.8330       85.06850 33.47185 7.557111 41.58094 4.872990 -8.109093 
8.991995 
1 1 1 -5  17  27 o 130.1461 2.791944  3583.865       139.2804 3613.673       
256.1449 3571.352       165.9596 130.2573 4.683871 130.0350 3.039927 0.2222748 
5.583888 
1 1 1 -5  17  28 o 87.98589 2.902291  1605.222       103.3262 1801.321       
174.7580 1499.826       128.1190 91.88519 4.530151 84.08659 3.629174 7.798599 
5.804582 
1 1 1 -5  17  29 o 73.92822 3.063667  1175.844       94.40254 1080.411       
138.2192 1259.285       129.2431 71.00179 4.636819 76.85465 4.005513 -5.852859 
6.127334 
1 1 1 -5  17  30 o 101.0784 2.618573  2154.554       110.4116 1961.460       
146.3945 2409.292       168.1467 95.91564 3.635435 106.2411 3.769788 -10.32544 
5.237145 
1 1 1 -5  17  31 o 56.66578 3.255227  699.3224       75.98245 665.7240       
117.7634 723.2850       99.45306 55.31478 5.070962 58.01679 4.083058 -2.702011 
6.510455 
1 1 1 -5  17  32 o 91.67566 3.068212  1802.060       115.6909 1908.887       
185.1207 1733.599       148.1951 93.63319 4.709189 89.71813 3.934366 3.915062 
6.136424 
1 1 1 -5  17  33 o 50.59163 3.882737  551.6516       80.08012 772.0294       
124.3754 395.6025       104.6601 59.20375 5.003873 41.97952 5.938336 17.22423 
7.765473 
1 1 1 -5  17  34 o 18.83828 5.164481  41.04791       63.01130 125.9512       
94.43706 -27.08195      84.59583 23.18353 7.991355 14.49303 6.544134 8.690498 
10.32896 
1 1 1 -5  17  35 o 45.90913 4.169399  487.3070       79.38978 442.0578       
117.5337 525.2751       107.6628 43.56840 6.425572 48.24986 5.314846 -4.681458 
8.338799 
1 1 1 -5  17  36 o 22.29548 5.619208  86.58196       75.28612 227.8366       
114.8973 -19.69569      99.66198 28.96307 8.730055 15.62790 7.077296 13.33517 
11.23842 
1 1 1 -5  17  37 o 42.08339 4.858112  429.6305       81.31035 611.3213       
127.2825 304.3652       105.6860 50.34762 6.021584 33.81916 7.625322 16.52845 
9.716224 
1 1 1 -5  18  1  o 48.31244 3.933192  514.5216       75.18773 420.0674       
122.4958 571.6182       95.23913 44.54145 6.550550 52.08343 4.355489 -7.541973 
7.866383 
1 1 1 -5  18  2  o 123.6126 4.600404  3220.508       238.7469 0.000000       
0.000000 3220.508       238.7469 ?        ?        123.6126 4.600404 ? ? 
1 1 1 -5  18  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  18  4  o 85.29400 4.212848  1531.955       150.8597 1531.955       
150.8597 0.000000       0.000000 85.29400 4.212848 ?        ?        ? ? 
1 1 1 -5  18  5  o 164.4262 3.827862  5712.622       263.6357 5557.932       
382.9767 5851.950       363.4627 162.2749 5.621369 166.5774 5.197144 -4.302521 
7.655723 
1 1 1 -5  18  6  o 192.2695 2.448081  7623.813       159.5611 8035.827       
356.8024 7520.819       178.3931 195.3391 4.350705 189.1999 2.245837 6.139221 
4.896163 
1 1 1 -5  18  7  o 83.91298 2.082144  1422.159       69.98360 1672.094       
122.2252 1300.252       85.36154 89.16826 3.264911 78.65770 2.584890 10.51056 
4.164289 
1 1 1 -5  18  8  o 72.19801 2.279674  1087.205       67.76428 1140.869       
108.0199 1052.382       87.01646 73.64374 3.493728 70.75228 2.929423 2.891457 
4.559348 
1 1 1 -5  18  9  o 159.9906 2.862349  5353.165       179.5304 5488.495       
318.6762 5290.245       217.2941 161.3810 4.703470 158.6003 3.263361 2.780716 
5.724697 
1 1 1 -5  18  10 f 180.3673 2.443617  6857.176       174.7323 6803.947       
301.0297 6884.223       214.5807 179.7731 3.988464 180.9615 2.824395 -1.188400 
4.887234 
1 1 1 -5  18  11 o 43.60239 3.113932  424.5482       53.63693 285.2322       
80.61109 535.2291       71.85067 36.76572 5.222432 50.43906 3.393008 -13.67334 
6.227865 
1 1 1 -5  18  12 f 112.6530 2.360275  2665.578       108.2933 2688.322       
176.3284 2651.803       137.2218 113.0077 3.716510 112.2983 2.910524 0.7094498 
4.720551 
1 1 1 -5  18  13 o 41.47624 3.110622  351.5365       53.16410 463.7313       
83.13819 273.9188       69.15035 46.91071 4.221333 36.04177 4.569927 10.86894 
6.221244 
1 1 1 -5  18  14 o 58.96974 2.490100  740.5309       59.81904 695.3186       
95.47099 769.7528       76.75337 57.44847 3.958348 60.49101 3.022231 -3.042538 
4.980201 
1 1 1 -5  18  15 o 76.22814 2.350168  1237.623       73.87780 1135.668       
112.9847 1313.771       97.64404 73.43061 3.664913 79.02567 2.943056 -5.595062 
4.700337 
1 1 1 -5  18  16 o 35.69785 3.432528  264.2232       50.84650 301.9068       
79.66776 238.3230       66.04779 37.79831 5.020319 33.59740 4.682456 4.200912 
6.865056 
1 1 1 -5  18  17 o 119.7946 2.684679  3019.178       129.4043 3042.562       
216.8369 3006.243       161.2708 120.0875 4.300871 119.5016 3.214422 0.5858688 
5.369357 
1 1 1 -5  18  18 o 144.3110 2.746620  4349.203       159.4466 4530.153       
269.4183 4251.662       197.8070 146.5192 4.379792 142.1027 3.315587 4.416519 
5.493241 
1 1 1 -5  18  19 o 106.6012 2.259453  2402.582       99.84808 2321.823       
152.4577 2463.239       132.1274 105.0005 3.458429 108.2018 2.908569 -3.201263 
4.518906 
1 1 1 -5  18  20 o 280.8122 3.630877  16870.59       403.5608 16062.16       
689.4988 17291.85       497.7194 275.2834 5.965881 286.3410 4.140207 -11.05765 
7.261753 
1 1 1 -5  18  21 o 39.28337 4.114110  345.3473       62.88836 276.6378       
98.91093 391.9709       81.47772 35.48040 6.885894 43.08635 4.504227 -7.605953 
8.228219 
1 1 1 -5  18  22 o 90.98214 2.551015  1743.112       95.53349 1753.939       
150.9615 1735.880       123.3824 91.18073 3.943521 90.78355 3.237181 0.3971710 
5.102029 
1 1 1 -5  18  23 o 35.97597 4.008706  266.2412       57.95337 353.7747       
94.03461 212.6319       73.59039 40.81874 5.487180 31.13321 5.845490 9.685530 
8.017412 
1 1 1 -5  18  24 o 127.4550 2.490151  3421.466       127.8044 3457.058       
213.8810 3401.698       159.3904 127.8693 3.984070 127.0407 2.988411 0.8285980 
4.980303 
1 1 1 -5  18  25 o 47.58756 3.463647  486.8542       67.36711 456.1806       
106.4157 507.3680       87.02569 46.24670 5.480827 48.92843 4.236501 -2.681728 
6.927294 
1 1 1 -5  18  26 o 105.5144 2.241471  2356.986       97.30634 2323.808       
153.1475 2379.448       126.0114 104.8235 3.479944 106.2052 2.826084 -1.381721 
4.482941 
1 1 1 -5  18  27 o 50.76760 4.098213  585.7114       81.93728 434.7317       
129.4337 686.6773       105.8463 44.74496 6.890082 56.79024 4.439387 -12.04528 
8.196425 
1 1 1 -5  18  28 o 106.8729 3.085941  2384.744       129.1376 2584.342       
232.3757 2295.558       155.3322 109.7452 5.043433 104.0006 3.557515 5.744621 
6.171883 
1 1 1 -5  18  29 o 92.85090 2.611518  1844.665       99.75987 1789.557       
156.2475 1882.589       129.6182 91.53468 4.065823 94.16711 3.278596 -2.632431 
5.223036 
1 1 1 -5  18  30 o 121.1195 3.080365  3149.837       154.6056 3176.678       
238.8849 3130.491       202.8085 121.3372 4.689385 120.9018 3.995532 0.4353867 
6.160731 
1 1 1 -5  18  31 o 42.45601 4.593304  399.3804       78.92416 503.1403       
119.9653 320.1998       104.7973 47.68384 5.992465 37.22817 6.963054 10.45567 
9.186607 
1 1 1 -5  18  32 o 34.85607 4.940781  284.2003       70.44470 257.6946       
105.3853 305.6102       94.71455 32.75302 7.770855 36.95913 6.104023 -4.206104 
9.881562 
1 1 1 -5  18  33 o 82.77361 2.650031  1481.254       91.75414 1460.737       
135.0788 1498.830       125.0237 82.13344 3.917313 83.41378 3.570060 -1.280342 
5.300063 
1 1 1 -5  18  34 o 62.69951 3.295721  866.5984       86.31894 880.4018       
129.0136 855.4116       116.1449 63.00455 4.877358 62.39447 4.433788 0.6100731 
6.591442 
1 1 1 -5  18  35 o 43.20634 4.484033  433.2163       80.79169 454.2948       
122.4766 416.9786       107.4968 43.92272 6.641789 42.48997 6.026014 1.432755 
8.968066 
1 1 1 -5  18  36 o 65.91354 3.428588  963.4056       92.91148 1094.023       
150.4696 882.9147       118.1194 69.09000 5.187459 62.73709 4.484542 6.352909 
6.857175 
1 1 1 -5  18  37 f 23.12733 5.632780  112.4563       75.29910 265.0760       
116.7102 3.625640       98.55511 30.28254 8.711159 15.97214 7.143427 14.31040 
11.26556 
1 1 1 -5  19  1  o 64.06599 5.595347  868.2858       150.4989 0.000000       
0.000000 868.2858       150.4989 ?        ?        64.06599 5.595347 ? ? 
1 1 1 -5  19  2  o 32.16143 8.411474  228.8947       114.8633 228.8947       
114.8633 0.000000       0.000000 32.16143 8.411474 ?        ?        ? ? 
1 1 1 -5  19  3  o 119.6186 3.693831  3079.450       171.0391 2871.322       
303.0431 3176.743       207.1950 116.4457 6.198723 122.7916 4.019126 -6.345947 
7.387661 
1 1 1 -5  19  4  o 181.5832 4.424695  6976.453       330.7982 7005.850       
521.9070 6956.712       427.6776 181.7514 6.839692 181.4150 5.615188 0.3363647 
8.849391 
1 1 1 -5  19  5  o 37.30065 4.922489  293.5914       77.08681 0.000000       
0.000000 293.5914       77.08681 ?        ?        37.30065 4.922489 ? ? 
1 1 1 -5  19  6  o 92.48903 3.816296  1801.234       148.1874 1801.234       
148.1874 0.000000       0.000000 92.48903 3.816296 ?        ?        ? ? 
1 1 1 -5  19  7  o 155.8271 2.892056  5098.926       185.9104 5029.021       
240.6842 5202.328       292.7233 154.5561 3.709219 157.0982 4.438202 -2.542145 
5.784112 
1 1 1 -5  19  8  o 228.0190 3.191140  10911.82       297.8756 11183.63       
480.2583 10741.87       379.7440 230.2118 4.968992 225.8263 4.005322 4.385529 
6.382279 
1 1 1 -5  19  9  o 131.6437 2.526506  3608.374       133.3307 3779.898       
227.3474 3518.453       164.6107 133.9514 4.042627 129.3359 3.031517 4.615540 
5.053011 
1 1 1 -5  19  10 o 166.3097 2.270602  5857.020       146.4376 5720.666       
262.0299 5918.948       176.5875 164.8186 3.786743 167.8008 2.506612 -2.982239 
4.541203 
1 1 1 -5  19  11 o 141.6143 2.594666  4224.901       151.6831 4211.892       
236.9820 4233.930       197.4209 141.3892 3.992272 141.8394 3.315258 
-0.4501801     5.189333 
1 1 1 -5  19  12 o 77.29901 2.094583  1216.760       66.22820 1433.585       
109.5712 1091.948       83.13254 82.54009 3.161933 72.05792 2.747960 10.48217 
4.189165 
1 1 1 -5  19  13 o 90.92713 2.185518  1685.760       79.26956 1910.378       
138.8411 1577.132       96.55320 95.25288 3.471850 86.60139 2.655602 8.651489 
4.371037 
1 1 1 -5  19  14 o 99.96188 2.204052  2126.550       90.89154 1959.916       
139.0373 2250.905       120.1100 96.47675 3.432651 103.4470 2.765555 -6.970261 
4.408104 
1 1 1 -5  19  15 o 218.5876 3.413042  9921.326       287.8394 10530.45       
530.1573 9666.719       342.7572 223.0049 5.662541 214.1702 3.811963 8.834778 
6.826085 
1 1 1 -5  19  16 o 67.45799 2.474837  961.7371       69.03434 938.9823       
106.6559 978.1437       90.56445 66.74825 3.805977 68.16775 3.164462 -1.419502 
4.949675 
1 1 1 -5  19  17 o 95.67677 2.436524  1912.175       95.72285 2001.173       
153.7254 1855.814       122.3341 97.45128 3.757329 93.90227 3.103076 3.549011 
4.873049 
1 1 1 -5  19  18 o 133.8527 2.685946  3696.138       142.4571 4013.864       
250.8633 3544.914       173.0696 137.9310 4.332078 129.7744 3.176529 8.156616 
5.371893 
1 1 1 -5  19  19 o 35.72593 4.185266  267.9093       60.81264 318.7329       
95.46684 233.2040       78.88921 38.78441 5.862953 32.66745 5.974246 6.116959 
8.370533 
1 1 1 -5  19  20 o 169.7828 2.459630  6108.815       171.2994 5894.275       
270.4307 6252.580       221.3748 167.2116 3.852216 172.3541 3.059338 -5.142548 
4.919261 
1 1 1 -5  19  21 o 148.1950 2.978442  4591.312       176.4949 4781.938       
302.1351 4492.566       217.4549 150.3874 4.785320 146.0026 3.547559 4.384720 
5.956883 
1 1 1 -5  19  22 o 65.51217 2.716110  895.1117       72.56706 950.2959       
119.1026 862.5313       91.51487 67.06104 4.230308 63.96330 3.407861 3.097744 
5.432221 
1 1 1 -5  19  23 o 184.1162 3.017858  7068.166       215.8914 7447.957       
391.9208 6902.718       258.6761 187.3523 4.982651 180.8802 3.406326 6.472031 
6.035716 
1 1 1 -5  19  24 o 84.58624 2.597828  1530.728       90.58120 1401.024       
138.5350 1627.589       119.7176 81.35471 4.055999 87.81778 3.247108 -6.463074 
5.195656 
1 1 1 -5  19  25 o 84.83886 2.614829  1546.342       91.51979 1361.926       
137.5762 1692.736       122.5758 80.15691 4.088119 89.52081 3.261382 -9.363907 
5.229658 
1 1 1 -5  19  26 o 63.19085 3.144051  838.5716       80.37747 889.7438       
134.5036 810.1469       100.2457 64.56897 4.961707 61.81273 3.862859 2.756241 
6.288101 
1 1 1 -5  19  27 o 45.49607 4.202212  430.3910       77.68504 512.1275       
131.0694 386.1280       96.45256 48.59814 6.423960 42.39400 5.419140 6.204136 
8.404424 
1 1 1 -5  19  28 o 80.85052 2.548315  1392.631       82.76218 1377.576       
138.4307 1401.005       103.2462 80.36219 4.103002 81.33884 3.023410 
-0.9766541     5.096629 
1 1 1 -5  19  29 o 73.31293 3.129363  1154.226       95.62979 1149.962       
143.8765 1157.601       127.9943 73.09233 4.688558 73.53353 4.145972 
-0.4412003     6.258726 
1 1 1 -5  19  30 o 36.43961 4.881200  299.0370       70.88783 338.9039       
112.5083 272.7913       91.28676 38.30710 7.259076 34.57212 6.527655 3.734974 
9.762401 
1 1 1 -5  19  31 o 49.10977 3.890043  529.6966       80.01477 548.0305       
117.9954 514.0888       108.8705 49.83676 5.639446 48.38279 5.359701 1.453972 
7.780087 
1 1 1 -5  19  32 o 37.04871 4.620485  316.5849       69.13920 400.8414       
99.81701 238.8790       95.85828 42.47197 5.597876 31.62546 7.352503 10.84651 
9.240970 
1 1 1 -5  19  33 o 45.41648 3.942315  467.2663       74.04885 418.3950       
110.4310 507.1920       99.81380 42.93732 6.126003 47.89564 4.963816 -4.958313 
7.884629 
1 1 1 -5  19  34 o 24.08703 5.959058  140.4413       74.23776 124.8733       
115.3212 151.4585       97.01266 23.39201 8.738254 24.78206 8.104591 -1.390049 
11.91812 
1 1 1 -5  19  35 o 35.16872 5.438318  309.3555       77.16883 330.1186       
120.0684 294.7427       100.7279 35.82040 8.163028 34.51702 7.187921 1.303379 
10.87664 
1 1 1 -5  19  36 o 22.19108 5.925451  122.6098       74.93807 134.0663       
113.7127 113.8144       99.63422 22.84787 8.644323 21.53430 8.106761 1.313572 
11.85090 
1 1 1 -5  19  37 o 20.06231 5.626235  87.12583       75.68316 11.91382       
114.7216 145.0842       100.7069 17.13828 7.684927 22.98635 8.219490 -5.848072 
11.25247 
1 1 1 -5  20  1  o 80.83831 5.378171  1382.691       182.5285 1382.691       
182.5285 0.000000       0.000000 80.83831 5.378171 ?        ?        ? ? 
1 1 1 -5  20  2  o 76.46735 3.322989  1168.713       95.68515 1385.694       
188.0906 1092.953       111.1412 80.91039 5.537118 72.02432 3.675506 8.886063 
6.645977 
1 1 1 -5  20  3  o 230.0733 5.628495  11231.33       518.7213 11531.00       
880.7737 11072.19       641.8405 231.8482 9.048604 228.2984 6.696462 3.549881 
11.25699 
1 1 1 -5  20  4  o 50.23981 2.994217  532.7032       62.78583 528.8463       
93.82541 535.8310       84.49144 50.06191 4.464102 50.41772 3.991633 
-0.3558121     5.988434 
1 1 1 -5  20  5  o 114.4615 2.690032  2764.411       129.0120 2687.165       
186.8629 2834.769       178.3366 112.9158 3.941754 116.0073 3.661647 -3.091461 
5.380064 
1 1 1 -5  20  6  o 34.76150 4.396318  260.8643       62.06812 324.4734       
90.12149 203.4677       85.60751 39.16591 5.480765 30.35709 6.875440 8.808821 
8.792637 
1 1 1 -5  20  7  o 165.1107 7.613581  5806.760       527.7680 0.000000       
0.000000 5806.760       527.7680 ?        ?        165.1107 7.613581 ? ? 
1 1 1 -5  20  8  o 219.2469 4.276894  9797.842       330.5324 10907.44       
708.3618 9489.003       373.7108 226.3566 7.453891 212.1371 4.196045 14.21950 
8.553788 
1 1 1 -5  20  9  o 80.29604 2.135767  1355.482       71.96777 1396.252       
103.6445 1317.522       100.0084 81.46040 3.030545 79.13166 3.010284 2.328743 
4.271535 
1 1 1 -5  20  10 o 242.2721 4.079818  12300.80       369.9378 12710.78       
712.1898 12149.31       432.9246 244.5447 6.936790 239.9994 4.296582 4.545288 
8.159636 
1 1 1 -5  20  11 o 174.1006 2.664652  6275.626       172.5015 6626.940       
337.5464 6151.442       200.6872 177.1940 4.537383 171.0072 2.795288 6.186890 
5.329304 
1 1 1 -5  20  12 o 52.68480 2.639780  567.0812       57.34257 682.5917       
92.38789 494.6984       73.13446 56.90896 3.866833 48.46064 3.594629 8.448326 
5.279560 
1 1 1 -5  20  13 o 117.1401 2.189521  2902.266       106.7590 2766.821       
159.6719 3011.769       143.5687 114.6336 3.317705 119.6467 2.858119 -5.013084 
4.379043 
1 1 1 -5  20  14 o 22.12050 4.919468  91.70029       51.92814 152.7410       
82.70654 51.97908       66.71770 26.36962 7.249231 17.87138 6.652317 8.498240 
9.838937 
1 1 1 -5  20  15 o 217.7495 2.511035  9937.634       205.1261 10098.38       
392.1173 9877.071       240.6859 218.7902 4.268833 216.7089 2.645422 2.081314 
5.022071 
1 1 1 -5  20  16 o 193.1740 2.462520  7882.049       192.1737 7773.093       
317.3429 7945.145       241.4877 192.0294 3.936244 194.3186 2.960068 -2.289154 
4.925040 
1 1 1 -5  20  17 f 130.0415 2.534950  3565.911       133.4225 3548.225       
219.8582 3576.220       167.8669 129.7256 4.036808 130.3574 3.067259 
-0.6317596     5.069901 
1 1 1 -5  20  18 o 219.4232 3.748465  10222.77       330.0972 10056.27       
552.6774 10315.11       411.5717 217.7748 6.044846 221.0716 4.434386 -3.296860 
7.496929 
1 1 1 -5  20  19 o 258.7674 3.514678  14249.50       360.5171 13873.81       
617.8423 14443.46       443.9286 255.8501 5.751924 261.6847 4.040694 -5.834549 
7.029355 
1 1 1 -5  20  20 o 266.6254 3.254508  14904.98       320.7845 15277.51       
628.6060 14773.81       373.0096 268.4382 5.577701 264.8127 3.355076 3.625580 
6.509016 
1 1 1 -5  20  21 o 124.8379 2.711134  3298.678       137.7008 3250.711       
223.4402 3328.051       174.8514 124.0185 4.291371 125.6572 3.314382 -1.638763 
5.422268 
1 1 1 -5  20  22 o 153.6249 2.303445  5009.768       141.1169 4869.747       
238.8473 5084.857       174.9095 151.8522 3.746453 155.3976 2.680958 -3.545395 
4.606891 
1 1 1 -5  20  23 o 95.96370 2.705947  1959.828       107.8320 1851.648       
162.3644 2045.199       144.2353 93.52062 4.135276 98.40678 3.491143 -4.886154 
5.411894 
1 1 1 -5  20  24 o 22.58965 4.437961  61.59637       56.18274 235.6744       
88.13216 -57.57607      72.92061 32.53196 6.682198 12.64734 5.842106 19.88461 
8.875921 
1 1 1 -5  20  25 o 115.0308 2.370632  2778.025       111.6929 2887.010       
180.3516 2710.218       142.2569 116.7631 3.679049 113.2985 2.990683 3.464577 
4.741265 
1 1 1 -5  20  26 o 27.92447 5.506885  184.4797       70.99366 89.68423       
114.9454 242.9426       90.26883 22.95273 8.688981 32.89620 6.767918 -9.943470 
11.01377 
1 1 1 -5  20  27 o 60.58530 3.352600  746.3759       82.82726 965.0505       
138.8522 625.5839       103.1983 67.07748 4.930568 54.09312 4.544141 12.98436 
6.705201 
1 1 1 -5  20  28 o 98.85307 3.144630  2068.951       123.2415 2173.167       
214.8618 2017.854       150.4512 100.3639 5.099211 97.34229 3.681418 3.021576 
6.289260 
1 1 1 -5  20  29 o 92.30655 3.001338  1803.182       111.2463 1918.556       
189.3645 1742.379       137.4693 94.25133 4.785554 90.36178 3.623616 3.889549 
6.002676 
1 1 1 -5  20  30 o 21.44177 4.837366  47.53286       65.34576 213.0048       
94.42367 -104.5577      90.52526 30.06271 7.498065 12.82082 6.113875 17.24189 
9.674732 
1 1 1 -5  20  31 o 50.88483 3.771489  563.3727       80.04594 658.3049       
120.4090 488.1948       107.1514 54.72146 5.241098 47.04819 5.424704 7.673267 
7.542978 
1 1 1 -5  20  32 o 29.05022 5.915511  205.3228       76.64515 253.4026       
113.2297 164.6629       104.1268 32.00367 8.342748 26.09678 8.388782 5.906897 
11.83102 
1 1 1 -5  20  33 o 64.81705 3.482497  931.7999       94.37222 917.0906       
139.1660 944.3228       128.4072 64.17299 5.165376 65.46111 4.672262 -1.288116 
6.964994 
1 1 1 -5  20  34 o 37.33648 4.759214  335.4422       71.57029 300.8228       
108.3953 362.2000       95.29651 34.79010 7.629518 39.88285 5.691305 -5.092758 
9.518429 
1 1 1 -5  20  35 o 71.80370 3.265152  1150.196       97.32618 1179.422       
149.7742 1128.835       128.0458 72.27248 4.936112 71.33493 4.275474 0.9375458 
6.530305 
1 1 1 -5  20  36 o 27.91251 5.885520  206.6900       76.85931 308.6985       
118.2179 132.0008       101.1565 33.38051 8.428780 22.44451 8.216632 10.93600 
11.77104 
1 1 1 -5  21  1  o 119.0450 3.992145  3053.102       168.8797 2900.468       
344.1134 3101.528       193.8271 116.7740 7.019020 121.3159 3.805552 -4.541908 
7.984289 
1 1 1 -5  21  2  f 106.2018 3.818834  2446.387       149.2353 2259.492       
286.6260 2515.895       174.7972 103.1407 6.619216 109.2630 3.810505 -6.122299 
7.637668 
1 1 1 -5  21  3  o 127.9838 4.106952  3414.767       191.9097 3582.532       
385.3044 3359.417       221.3146 129.7609 7.072634 126.2067 4.176850 3.554230 
8.213904 
1 1 1 -5  21  4  o 133.4897 3.348406  3790.417       185.5638 3558.825       
279.1302 3973.826       248.4029 129.7401 5.124525 137.2393 4.311210 -7.499191 
6.696812 
1 1 1 -5  21  5  o 81.50253 2.539621  1399.558       86.85954 1345.985       
122.4803 1453.763       123.1988 79.92849 3.649939 83.07658 3.532229 -3.148087 
5.079242 
1 1 1 -5  21  6  o 68.85028 2.911847  1003.140       83.87845 931.3417       
120.5553 1070.510       116.7789 66.43793 4.322065 71.26263 3.903225 -4.824699 
5.823694 
1 1 1 -5  21  7  o 44.81295 3.572231  429.4650       66.39524 366.4636       
96.20856 486.7555       91.74453 41.60878 5.507441 48.01712 4.550982 -6.408348 
7.144462 
1 1 1 -5  21  8  o 157.7120 3.509534  5263.928       230.2108 5202.336       
349.1319 5311.307       306.2090 156.8194 5.302866 158.6045 4.598577 -1.785065 
7.019067 
1 1 1 -5  21  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  21  10 o 147.7308 3.700934  4603.461       225.4871 4681.689       
355.0003 4550.556       291.9424 148.6802 5.687175 146.7814 4.737477 1.898773 
7.401868 
1 1 1 -5  21  11 o 155.3492 2.943989  4980.325       178.8531 5390.432       
322.8801 4798.784       214.8223 159.7396 4.814484 150.9589 3.389548 8.780731 
5.887978 
1 1 1 -5  21  12 o 177.2637 3.052761  6554.615       218.9926 6907.430       
365.8659 6357.640       273.3723 180.8289 4.819203 173.6985 3.748691 7.130447 
6.105522 
1 1 1 -5  21  13 o 165.5995 2.873187  5744.827       194.6462 5946.729       
315.1180 5620.268       247.5094 167.8594 4.471452 163.3397 3.609283 4.519714 
5.746374 
1 1 1 -5  21  14 o 66.32590 2.482431  920.0705       68.19952 964.8719       
106.5340 888.9613       88.77420 67.66897 3.749899 64.98283 3.253938 2.686142 
4.964862 
1 1 1 -5  21  15 o 98.40642 2.356006  2052.583       94.49432 1980.379       
151.8031 2098.260       120.7385 96.94672 3.729655 99.86611 2.879709 -2.919388 
4.712011 
1 1 1 -5  21  16 o 32.61583 4.373691  216.2765       58.10788 395.1315       
92.63800 100.2578       74.61093 43.23088 5.104065 22.00077 7.103887 21.23010 
8.747382 
1 1 1 -5  21  17 o 140.9420 2.533961  4208.930       143.6473 4101.242       
238.8406 4269.959       179.8016 139.4453 4.079672 142.4386 3.006678 -2.993301 
5.067923 
1 1 1 -5  21  18 o 116.7654 2.360374  2863.261       114.2201 2923.842       
177.0988 2820.114       149.4590 117.7901 3.581196 115.7407 3.075792 2.049362 
4.720748 
1 1 1 -5  21  19 o 157.6177 2.574839  5217.752       160.4754 5299.467       
279.4609 5177.552       196.0142 158.4189 4.201799 156.8165 2.977260 1.602325 
5.149679 
1 1 1 -5  21  20 o 112.7779 2.130620  2682.919       98.30836 2662.407       
157.5190 2696.006       125.8201 112.3799 3.338607 113.1760 2.647994 
-0.7960587     4.261240 
1 1 1 -5  21  21 o 120.0346 2.759202  3043.882       131.4509 3047.086       
226.3427 3042.251       161.4729 119.9527 4.494458 120.1165 3.201975 
-0.1637573     5.518405 
1 1 1 -5  21  22 o 141.6390 2.376890  4268.177       140.2090 3852.334       
204.7076 4635.642       192.4321 135.0283 3.611023 148.2497 3.091753 -13.22147 
4.753780 
1 1 1 -5  21  23 o 32.93680 4.717540  225.9398       63.41982 317.2612       
102.0096 168.4042       80.96986 38.44725 6.319709 27.42635 7.005855 11.02090 
9.435080 
1 1 1 -5  21  24 o 120.5096 2.156462  3030.799       105.3821 3202.523       
175.2866 2933.599       131.8760 123.0679 3.392540 117.9513 2.663079 5.116562 
4.312924 
1 1 1 -5  21  25 o 115.6668 2.890077  2809.662       130.9962 2934.812       
233.5038 2752.184       158.2435 117.2840 4.742160 114.0497 3.304859 3.234291 
5.780154 
1 1 1 -5  21  26 o 113.5155 3.271953  2795.290       147.1024 2624.599       
249.6732 2886.048       182.0571 110.4619 5.383694 116.5691 3.720019 -6.107155 
6.543906 
1 1 1 -5  21  27 o 56.95058 3.625209  735.5190       80.48003 583.6285       
133.2214 822.8056       100.9910 51.76005 6.130564 62.14112 3.871014 -10.38107 
7.250418 
1 1 1 -5  21  28 o 54.00827 3.217743  591.7885       69.34003 743.8167       
123.2043 521.3093       83.88689 58.66085 5.002634 49.35568 4.048349 9.305172 
6.435486 
1 1 1 -5  21  29 o 117.5229 3.180546  2920.305       145.6389 3144.760       
263.8008 2821.900       174.6707 120.1412 5.230043 114.9046 3.620793 5.236588 
6.361092 
1 1 1 -5  21  30 o 64.83566 3.391482  919.9723       91.59781 798.0631       
130.2218 1039.357       128.8665 60.39107 5.136084 69.28027 4.430490 -8.889198 
6.782964 
1 1 1 -5  21  31 o 52.85870 3.755411  619.1036       83.01445 569.7803       
118.8539 666.0853       115.9985 50.65558 5.588653 55.06182 5.017910 -4.406239 
7.510823 
1 1 1 -5  21  32 o 100.0409 2.926408  2154.841       121.7701 2338.321       
188.0060 2022.246       159.8239 103.5090 4.326281 96.57276 3.941923 6.936218 
5.852817 
1 1 1 -5  21  33 o 45.46869 3.951024  465.5634       74.56856 560.5949       
108.5622 380.6806       102.6018 50.08603 5.162774 40.85135 5.982319 9.234676 
7.902049 
1 1 1 -5  21  34 o 52.50381 3.499450  618.7002       76.95448 607.2701       
112.0066 628.9197       105.9093 51.91291 5.139129 53.09471 4.751205 -1.181801 
6.998899 
1 1 1 -5  21  35 o 56.36908 3.418870  725.7845       79.54274 677.9557       
121.2895 761.8785       105.3648 54.28874 5.321505 58.44941 4.293748 -4.160671 
6.837739 
1 1 1 -5  21  36 o 56.86971 3.423983  749.1550       80.34290 718.7456       
123.5968 771.4073       105.7283 55.34080 5.319647 58.39861 4.312309 -3.057812 
6.847967 
1 1 1 -5  22  1  o 112.3067 3.619144  2715.135       154.9156 2552.473       
282.5583 2785.042       185.2376 109.6741 6.136557 114.9392 3.838682 -5.265038 
7.238288 
1 1 1 -5  22  2  o 98.80185 3.384554  2012.401       129.1860 2189.816       
238.7260 1938.932       153.6233 101.6917 5.591592 95.91203 3.815092 5.779640 
6.769109 
1 1 1 -5  22  3  o 146.0004 4.107427  4524.171       207.7676 4501.451       
443.9213 4530.543       235.1075 145.3846 7.272917 146.6162 3.819491 -1.231613 
8.214854 
1 1 1 -5  22  4  o 45.97151 4.878593  521.6331       79.82017 295.8116       
132.6430 649.8321       99.94113 36.44312 8.763888 55.49991 4.289168 -19.05679 
9.757187 
1 1 1 -5  22  5  o 178.4641 3.967155  6758.505       286.8277 6681.332       
470.5775 6804.124       361.8050 177.4500 6.316496 179.4781 4.801579 -2.028152 
7.934311 
1 1 1 -5  22  6  o 139.7306 2.956530  4115.561       173.3882 4022.099       
241.5989 4214.824       248.9838 138.0979 4.167053 141.3633 4.195228 -3.265396 
5.913059 
1 1 1 -5  22  7  o 137.1362 3.061135  3973.352       167.4876 3949.484       
284.8326 3985.966       207.0700 136.7128 4.962512 137.5597 3.585478 
-0.8469238     6.122269 
1 1 1 -5  22  8  o 131.0971 3.273135  3658.704       178.1626 3387.264       
266.5451 3877.917       239.5339 126.6000 5.014853 135.5943 4.207719 -8.994293 
6.546270 
1 1 1 -5  22  9  o 206.7927 4.545446  9101.364       393.3993 8665.758       
570.3177 9496.763       543.3618 201.9513 6.726533 211.6340 6.115397 -9.682709 
9.090893 
1 1 1 -5  22  10 o 114.7510 2.696286  2773.928       129.8022 2628.825       
181.7148 2925.105       185.4791 111.6807 3.875548 117.8214 3.749661 -6.140663 
5.392571 
1 1 1 -5  22  11 o 94.76322 4.125120  1893.752       164.1177 1893.752       
164.1177 0.000000       0.000000 94.76322 4.125120 ?        ?        ? ? 
1 1 1 -5  22  12 o 205.3280 4.367035  8833.969       363.7343 9356.172       
604.6511 8537.832       455.3355 209.7772 6.865428 200.8789 5.399062 8.898285 
8.734070 
1 1 1 -5  22  13 o 117.1169 2.296187  2862.762       106.4348 2961.942       
185.8619 2814.368       129.8308 118.5587 3.734033 115.6751 2.673369 2.883568 
4.592375 
1 1 1 -5  22  14 o 142.2832 2.956237  4294.536       174.0809 4118.350       
266.7363 4425.257       229.7570 139.6630 4.549061 144.9034 3.776691 -5.240356 
5.912474 
1 1 1 -5  22  15 o 78.55025 2.454576  1291.210       79.14391 1339.680       
126.9868 1260.424       101.2036 79.72115 3.794076 77.37933 3.115244 2.341820 
4.909151 
1 1 1 -5  22  16 o 158.0647 2.595623  5254.902       168.2512 5318.494       
269.1435 5214.108       215.5640 158.7804 4.037459 157.3490 3.263122 1.431366 
5.191246 
1 1 1 -5  22  17 o 256.3797 3.884903  14001.50       411.0049 13553.84       
637.5534 14319.82       537.6340 252.6085 6.011595 260.1509 4.922462 -7.542450 
7.769807 
1 1 1 -5  22  18 o 67.06664 2.618437  953.0081       72.83743 920.9208       
110.9782 977.2894       96.53979 66.04259 4.002530 68.09067 3.377069 -2.048073 
5.236873 
1 1 1 -5  22  19 o 166.0488 2.587780  5804.292       172.7047 5871.762       
290.3424 5767.347       214.8467 166.6653 4.149411 165.4324 3.093352 1.232910 
5.175561 
1 1 1 -5  22  20 o 59.45919 2.906768  755.4218       71.06460 707.3978       
110.3808 789.4193       92.87273 57.77748 4.550467 61.14091 3.618073 -3.363434 
5.813536 
1 1 1 -5  22  21 o 16.69177 4.961281  5.503946       60.67157 -47.46172      
94.90903 42.10621       78.89770 15.32451 6.924929 18.05902 7.106519 -2.734510 
9.922563 
1 1 1 -5  22  22 f 87.25819 2.421858  1574.347       86.52139 1761.771       
141.8263 1463.248       109.1943 91.25693 3.701793 83.25945 3.123831 7.997475 
4.843717 
1 1 1 -5  22  23 o 70.86101 2.824920  1083.174       81.40460 983.2098       
129.0395 1149.256       104.9157 67.99858 4.520056 73.72344 3.389660 -5.724861 
5.649841 
1 1 1 -5  22  24 o 14.11546 4.530842  -53.26650      60.20135 -127.6943      
96.51674 -5.870918      77.02007 13.02306 6.234689 15.20786 6.575922 -2.184798 
9.061684 
1 1 1 -5  22  25 o 40.75150 4.326124  337.2876       70.33146 432.6884       
125.2749 293.3787       84.98931 44.57747 6.693755 36.92552 5.482249 7.651947 
8.652248 
1 1 1 -5  22  26 o 120.6496 3.195364  3165.154       157.6583 2870.397       
245.8607 3371.006       205.4631 115.4995 5.070260 125.7998 3.890227 -10.30035 
6.390728 
1 1 1 -5  22  27 o 25.25301 5.511127  147.5702       73.32686 7.839015       
125.5010 219.9949       90.35329 19.57401 8.428106 30.93202 7.103315 -11.35801 
11.02225 
1 1 1 -5  22  28 o 26.97198 6.093513  163.2997       74.44917 181.3033       
130.9350 154.6983       90.50286 28.06715 9.415529 25.87682 7.737662 2.190325 
12.18703 
1 1 1 -5  22  29 o 70.21211 2.981200  1094.635       83.76600 942.1095       
135.1831 1189.701       106.7247 65.80005 4.893474 74.62418 3.406483 -8.824135 
5.962400 
1 1 1 -5  22  30 o 21.36688 5.823638  83.51910       74.57405 58.73114       
110.6745 104.1325       100.9257 20.36759 8.266252 22.36618 8.205371 -1.998589 
11.64728 
1 1 1 -5  22  31 o 72.17146 3.318639  1138.461       100.1915 1176.890       
149.0654 1106.795       135.3149 73.17457 4.852189 71.16835 4.528765 2.006218 
6.637277 
1 1 1 -5  22  32 o 21.14224 5.430765  35.48598       76.24895 206.9663       
113.3400 -106.2890      103.0566 28.59317 8.681172 13.69130 6.527641 14.90187 
10.86153 
1 1 1 -5  22  33 o 23.27799 5.999406  126.0380       77.72757 86.44469       
114.7980 159.5542       105.6212 21.30407 8.512256 25.25191 8.456536 -3.947834 
11.99881 
1 1 1 -5  22  34 o 26.82777 5.638324  182.2924       79.54298 46.89256       
116.6251 300.0609       108.7671 19.30223 8.211588 34.35331 7.728687 -15.05108 
11.27665 
1 1 1 -5  22  35 o 16.04854 4.998248  -25.98548      73.86296 -165.5788      
114.2598 74.22878       96.81125 12.88029 6.302840 19.21679 7.759133 -6.336500 
9.996496 
1 1 1 -5  22  36 o 56.36694 6.087285  778.5730       131.7469 1171.790       
256.7636 638.0518       153.4930 63.07201 9.696566 49.66187 7.361844 13.41014 
12.17457 
1 1 1 -5  23  1  o 100.4749 2.991099  2148.263       122.6661 2065.348       
196.0591 2201.598       157.2448 98.78938 4.727133 102.1605 3.666184 -3.371117 
5.982198 
1 1 1 -5  23  2  o 40.95373 4.836207  380.1766       75.42027 314.5507       
126.6393 416.2462       93.88609 37.56777 8.253422 44.33969 5.043472 -6.771919 
9.672414 
1 1 1 -5  23  3  o 81.33864 3.127714  1341.922       100.3353 1558.573       
180.7003 1245.352       120.6420 85.82451 5.014974 76.85276 3.739039 8.971748 
6.255428 
1 1 1 -5  23  4  o 27.21361 5.736969  166.3334       73.69159 81.43278       
122.7696 214.1504       92.13548 23.33795 8.937270 31.08928 7.195587 -7.751331 
11.47394 
1 1 1 -5  23  5  o 112.3339 3.167051  2651.927       147.7211 2748.902       
228.1120 2581.888       193.8608 114.0504 4.764007 110.6175 4.174336 3.432938 
6.334102 
1 1 1 -5  23  6  o 126.0233 3.022454  3351.362       159.8493 3361.111       
229.5277 3342.180       222.7467 126.1922 4.332353 125.8545 4.215641 0.3376770 
6.044908 
1 1 1 -5  23  7  o 107.6123 2.873622  2439.318       128.3340 2463.487       
197.4420 2421.638       168.8721 108.0356 4.353049 107.1889 3.752571 0.8467102 
5.747245 
1 1 1 -5  23  8  o 92.12755 2.707998  1769.428       101.8806 1872.636       
166.5226 1707.685       128.7992 94.21066 4.210116 90.04444 3.407041 4.166214 
5.415996 
1 1 1 -5  23  9  o 208.0052 3.826681  9237.110       311.3812 8938.833       
546.4941 9380.497       378.9025 205.1726 6.344350 210.8378 4.280556 -5.665146 
7.653361 
1 1 1 -5  23  10 o 145.7453 3.252811  4505.363       195.8173 4375.380       
303.1638 4598.414       256.5029 143.8493 5.019848 147.6412 4.138145 -3.791885 
6.505622 
1 1 1 -5  23  11 o 105.0422 2.658671  2319.803       115.2113 2357.687       
181.2191 2294.103       149.2587 105.7214 4.082839 104.3630 3.406546 1.358406 
5.317343 
1 1 1 -5  23  12 o 223.9676 4.842085  10603.47       455.2989 0.000000       
0.000000 10603.47       455.2989 ?        ?        223.9676 4.842085 ? ? 
1 1 1 -5  23  13 o 156.6504 4.400207  5215.724       288.2917 5248.743       
391.7892 5176.736       425.7350 157.2753 5.933529 156.0256 6.499270 1.249695 
8.800414 
1 1 1 -5  23  14 o 55.18552 3.206005  644.2425       74.19143 673.1313       
104.2292 614.5720       105.6298 56.45171 4.397780 53.91933 4.666198 2.532379 
6.412010 
1 1 1 -5  23  15 o 137.9467 2.373995  4004.830       133.9886 4033.427       
215.4612 3986.798       171.0956 138.2886 3.711110 137.6048 2.961601 0.6838379 
4.747990 
1 1 1 -5  23  16 o 107.9732 2.528437  2431.521       111.4639 2574.338       
182.2937 2346.241       140.8650 110.4236 3.932158 105.5227 3.179641 4.900856 
5.056874 
1 1 1 -5  23  17 o 17.44378 4.903543  24.61892       57.82651 -47.91498      
91.25697 73.28465       74.74930 14.99025 6.781254 19.89732 7.084741 -4.907070 
9.807087 
1 1 1 -5  23  18 o 64.55824 2.901551  896.5272       76.67850 803.8578       
118.9430 962.4279       100.3036 61.59309 4.599683 67.52339 3.538206 -5.930305 
5.803102 
1 1 1 -5  23  19 o 40.36101 4.005909  338.6382       64.31580 478.7789       
101.2707 243.9049       83.26320 47.45806 5.082705 33.26395 6.193169 14.19411 
8.011818 
1 1 1 -5  23  20 o 201.3721 3.221371  8572.394       254.1409 8706.147       
450.2041 8509.837       307.8884 202.1232 5.305355 200.6210 3.655426 1.502136 
6.442742 
1 1 1 -5  23  21 o 57.58994 2.893659  688.2027       68.88490 787.3381       
109.6974 623.6603       88.51250 60.91384 4.289448 54.26603 3.885059 6.647816 
5.787318 
1 1 1 -5  23  22 o 18.15625 5.163869  35.73490       60.65484 1.382033       
97.34368 57.53743       77.54962 17.43670 7.462559 18.87579 7.139496 -1.439089 
10.32774 
1 1 1 -5  23  23 o 68.97755 2.563108  1022.843       72.60062 929.1857       
112.0561 1090.599       95.31026 66.13837 4.035552 71.81673 3.161077 -5.678352 
5.126216 
1 1 1 -5  23  24 o 69.62874 3.012263  1015.938       86.37977 1119.762       
138.7210 950.1879       110.3936 72.40907 4.563210 66.84842 3.933450 5.560646 
6.024526 
1 1 1 -5  23  25 f 54.74702 3.382729  685.2474       72.52719 475.6863       
112.6492 833.6169       94.78614 46.86816 5.724943 62.62588 3.605057 -15.75771 
6.765457 
1 1 1 -5  23  26 o 47.39829 4.072928  486.2353       77.21936 498.6412       
131.2428 479.6667       95.49860 47.60381 6.566813 47.19276 4.819952 0.4110489 
8.145856 
1 1 1 -5  23  27 o 38.74750 4.806927  357.3494       70.34040 285.5381       
119.6511 395.2745       86.95285 34.74078 8.304185 42.75422 4.844243 -8.013439 
9.613853 
1 1 1 -5  23  28 o 20.87296 5.884661  52.40318       74.12929 117.0652       
129.8030 21.10688       90.30389 24.36916 9.231044 17.37676 7.301012 6.992401 
11.76932 
1 1 1 -5  23  29 o 42.60669 4.743856  379.7051       79.65678 560.3956       
138.3219 290.0476       97.43538 49.87232 6.606213 35.34106 6.809893 14.53126 
9.487713 
1 1 1 -5  23  30 o 18.46034 5.498468  -3.272830      75.73828 100.4729       
118.2257 -75.48647      98.63625 22.66938 8.747996 14.25131 6.663721 8.418065 
10.99694 
1 1 1 -5  23  31 o 15.49542 4.870107  -15.08593      63.54593 -1.089255      
91.38749 -28.18867      88.42095 16.16064 7.075712 14.83020 6.693732 1.330436 
9.740213 
1 1 1 -5  23  32 o 47.37775 3.855740  508.8412       75.68944 421.3913       
107.2134 595.7310       106.8695 42.98997 5.940224 51.76554 4.917385 -8.775578 
7.711481 
1 1 1 -5  23  33 o 109.7043 2.573835  2624.904       118.1568 2535.449       
172.2727 2704.366       162.3650 107.7514 3.808154 111.6572 3.463593 -3.905762 
5.147671 
1 1 1 -5  23  34 o 39.51014 4.730446  382.2575       75.11781 297.2253       
105.4402 469.8949       107.0432 34.05157 7.573741 44.96872 5.669827 -10.91715 
9.460893 
1 1 1 -5  23  35 o 19.63086 5.751806  77.28450       77.06272 82.92072       
116.7959 72.93900       102.5540 20.09112 8.364079 19.17059 7.897802 0.9205303 
11.50361 
1 1 1 -5  24  1  f 91.83627 3.115340  1733.017       109.2862 1917.450       
206.6566 1661.414       128.7648 94.96278 5.183427 88.70975 3.457377 6.253029 
6.230680 
1 1 1 -5  24  2  o 34.66097 5.320294  252.4291       73.58160 344.7853       
122.4575 200.2416       92.05254 39.38359 7.680146 29.93835 7.364610 9.445232 
10.64059 
1 1 1 -5  24  3  o 37.32448 5.194072  319.4109       75.05727 260.2435       
127.5610 350.7438       92.82745 34.02418 8.848256 40.62478 5.442600 -6.600597 
10.38814 
1 1 1 -5  24  4  o 27.03958 5.862363  124.9584       74.88530 264.8953       
128.1560 52.40582       92.27821 34.34795 8.837635 19.73120 7.704895 14.61675 
11.72473 
1 1 1 -5  24  5  o 85.80269 2.707090  1555.614       97.40902 1482.889       
138.4816 1626.836       137.0440 83.80221 3.936023 87.80318 3.717669 -4.000969 
5.414180 
1 1 1 -5  24  6  o 60.92017 3.168653  772.4820       79.97779 859.1794       
125.9103 713.8421       103.5512 63.71757 4.706772 58.12277 4.243554 5.594799 
6.337307 
1 1 1 -5  24  7  o 228.8768 4.025975  11115.53       380.3031 11170.78       
595.5037 11077.47       494.2090 229.1174 6.190809 228.6362 5.148571 0.4812317 
8.051950 
1 1 1 -5  24  8  o 68.80344 3.029958  1002.112       86.23942 988.5229       
133.4064 1011.867       113.0322 68.36286 4.648121 69.24403 3.888130 
-0.8811646     6.059916 
1 1 1 -5  24  9  o 146.3246 3.405889  4512.917       206.3344 4639.823       
321.4663 4424.004       269.0755 147.9756 5.174475 144.6735 4.430025 3.302109 
6.811778 
1 1 1 -5  24  10 o 45.08562 3.840766  434.9550       70.52412 414.8244       
113.0659 447.7744       90.22712 44.16344 6.098032 46.00780 4.671181 -1.844360 
7.681531 
1 1 1 -5  24  11 o 38.10134 4.423278  305.3285       70.08746 335.5959       
108.4651 283.6310       91.83495 39.68077 6.510751 36.52190 5.989295 3.158875 
8.846556 
1 1 1 -5  24  12 o 39.03314 4.820174  330.3172       74.63775 503.2463       
111.8857 191.6576       100.1879 48.69147 5.473217 29.37482 7.936007 19.31665 
9.640347 
1 1 1 -5  24  13 o 23.76517 5.810440  108.8382       70.59998 131.7461       
105.2682 90.11097       95.17928 25.32548 8.442391 22.20485 7.985665 3.120636 
11.62088 
1 1 1 -5  24  14 o 90.90300 6.150467  1761.324       234.7282 0.000000       
0.000000 1761.324       234.7282 ?        ?        90.90300 6.150467 ? ? 
1 1 1 -5  24  15 o 152.5914 3.084570  4930.328       197.3941 4653.012       
278.4180 5210.609       279.9028 148.2428 4.473471 156.9400 4.248099 -8.697189 
6.169140 
1 1 1 -5  24  16 o 94.47115 2.444759  1899.073       95.57748 1783.692       
145.5327 1986.581       126.7412 91.87793 3.772858 97.06438 3.110134 -5.186447 
4.889518 
1 1 1 -5  24  17 o 94.62697 2.268916  1858.207       88.43535 2045.337       
141.9635 1739.538       113.0502 98.42065 3.435669 90.83328 2.964473 7.587372 
4.537832 
1 1 1 -5  24  18 o 94.97020 2.380262  1902.844       92.84245 1914.300       
147.6426 1895.350       119.4053 95.14751 3.696028 94.79288 3.000328 0.3546295 
4.760524 
1 1 1 -5  24  19 o 76.09212 2.722435  1220.484       85.35326 1252.972       
135.0691 1198.887       110.1288 76.87322 4.185064 75.31100 3.483079 1.562218 
5.444870 
1 1 1 -5  24  20 o 21.27398 5.250131  87.23429       60.20965 35.15318       
94.08243 123.3601       78.35693 18.79716 7.624520 23.75081 7.219572 -4.953651 
10.50026 
1 1 1 -5  24  21 o 149.6577 2.670209  4716.185       156.6147 4835.144       
277.9414 4660.843       189.5765 150.7768 4.390760 148.5385 3.039950 2.238312 
5.340419 
1 1 1 -5  24  22 o 19.28918 5.269714  55.60912       61.12080 24.02999       
96.93443 76.45025       78.74781 18.39922 7.637237 20.17914 7.263068 -1.779915 
10.53943 
1 1 1 -5  24  23 o 19.86478 5.456397  59.94570       63.38010 54.77062       
105.6592 62.85447       79.21429 20.49226 8.173126 19.23731 7.231120 1.254948 
10.91279 
1 1 1 -5  24  24 o 64.17535 3.020494  884.7005       80.44212 845.9070       
121.8272 914.6890       107.1127 62.82587 4.618773 65.52484 3.893643 -2.698967 
6.040987 
1 1 1 -5  24  25 o 96.26841 2.517608  1999.821       96.86988 1881.818       
161.5364 2066.087       121.0509 93.79958 4.101951 98.73724 2.920170 -4.937653 
5.035215 
1 1 1 -5  24  26 o 59.54383 3.457793  744.9719       83.75644 855.5797       
140.1962 683.5844       104.4440 62.71823 5.324314 56.36943 4.413276 6.348793 
6.915585 
1 1 1 -5  24  27 o 84.91218 3.168590  1534.276       107.3135 1633.081       
185.2401 1484.365       131.6569 86.58658 5.095721 83.23778 3.767422 3.348801 
6.337179 
1 1 1 -5  24  28 o 29.82329 5.327228  231.5205       76.10518 61.06070       
129.5155 321.4201       94.05672 21.58454 8.881028 38.06204 5.885981 -16.47750 
10.65446 
1 1 1 -5  24  29 o 18.82289 5.380561  -1.776631      66.88210 137.7872       
118.6546 -66.76925      80.97110 24.77017 8.915454 12.87561 6.026312 11.89456 
10.76112 
1 1 1 -5  24  30 o 26.82445 5.402813  171.7591       79.90134 -16.81344      
124.7316 302.9910       104.0536 18.02416 8.049383 35.62473 7.208953 -17.60056 
10.80563 
1 1 1 -5  24  31 o 60.92609 3.639918  832.9359       92.37952 748.1749       
133.7872 910.1750       127.7131 57.67276 5.525416 64.17942 4.739808 -6.506664 
7.279835 
1 1 1 -5  24  32 o 88.54150 2.841994  1719.660       105.3062 1652.963       
153.1503 1779.474       145.0320 86.73759 4.205636 90.34543 3.823657 -3.607841 
5.683989 
1 1 1 -5  24  33 o 83.39022 3.400883  1561.196       118.4958 1371.400       
164.4783 1766.007       170.8606 77.86606 5.031314 88.91438 4.577106 -11.04832 
6.801765 
1 1 1 -5  24  34 o 73.70070 3.300477  1228.533       101.5321 1287.693       
153.2651 1182.267       135.5394 75.03130 4.865438 72.37010 4.460952 2.661194 
6.600954 
1 1 1 -5  24  35 o 25.42057 7.393727  196.0951       118.8031 219.4373       
236.2191 188.1916       137.4522 25.80647 11.33685 25.03467 9.494447 0.7718010 
14.78745 
1 1 1 -5  25  1  o 135.7112 3.899069  4023.459       200.1782 3729.379       
367.5634 4147.461       238.6796 131.5522 6.655107 139.8701 4.064542 -8.317810 
7.798137 
1 1 1 -5  25  2  o 41.69209 5.307663  449.7132       83.68573 187.0594       
133.3476 620.3753       107.4885 29.36325 9.498604 54.02092 4.739374 -24.65767 
10.61533 
1 1 1 -5  25  3  o 22.03857 5.782731  84.04625       71.51099 71.56033       
105.7673 94.56031       97.05685 21.60040 8.288546 22.47675 8.065973 
-0.8763485     11.56546 
1 1 1 -5  25  4  o 164.8237 5.241705  5964.514       327.7726 5618.296       
600.6704 6111.318       391.1392 160.3391 8.923141 169.3083 5.502677 -8.969193 
10.48341 
1 1 1 -5  25  5  o 91.36087 3.514052  1800.696       117.5416 1717.159       
229.2656 1830.483       136.9032 89.62338 6.093105 93.09835 3.502616 -3.474968 
7.028104 
1 1 1 -5  25  6  o 64.19994 3.041163  858.2981       81.07185 971.4283       
126.5939 779.6420       105.5576 67.70599 4.453555 60.69390 4.142529 7.012089 
6.082326 
1 1 1 -5  25  7  f 113.6954 2.806509  2738.176       133.6232 2656.781       
194.2854 2811.238       184.0715 112.0549 4.129810 115.3358 3.801399 -3.280853 
5.613018 
1 1 1 -5  25  8  o 95.32210 2.737442  1923.031       108.8149 1898.122       
163.0506 1943.034       146.1136 94.72514 4.099947 95.91907 3.628331 -1.193932 
5.474884 
1 1 1 -5  25  9  o 173.4940 3.515594  6403.948       248.8573 6328.859       
401.0075 6450.980       317.3622 172.4313 5.539333 174.5566 4.330519 -2.125320 
7.031188 
1 1 1 -5  25  10 o 148.3922 3.159644  4708.459       191.7154 4460.929       
303.6046 4872.619       247.2453 144.9520 4.988904 151.8323 3.878690 -6.880249 
6.319287 
1 1 1 -5  25  11 f 64.03687 3.090800  863.3902       82.00853 899.0973       
127.7588 838.3672       106.9508 65.11609 4.673299 62.95764 4.046288 2.158447 
6.181599 
1 1 1 -5  25  12 o 73.27329 3.098273  1126.985       94.30380 1206.238       
146.1930 1070.506       123.4135 75.42292 4.616836 71.12366 4.133039 4.299255 
6.196546 
1 1 1 -5  25  13 o 117.9266 2.824542  2928.979       138.9706 3055.033       
210.3179 2831.292       185.1476 120.1276 4.170178 115.7256 3.810742 4.401924 
5.649084 
1 1 1 -5  25  14 o 147.8865 3.695313  4657.729       224.1845 4640.709       
356.6594 4668.846       288.2456 147.4445 5.761640 148.3285 4.628700 
-0.8840179     7.390626 
1 1 1 -5  25  15 o 100.3022 2.911129  2135.596       122.1439 2068.978       
178.8745 2193.797       167.1917 98.78967 4.312787 101.8147 3.911338 -3.025040 
5.822259 
1 1 1 -5  25  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  25  17 o 35.06262 5.209205  285.5263       75.13779 184.7301       
113.1044 365.1500       100.5260 28.82482 8.656302 41.30042 5.797558 -12.47560 
10.41841 
1 1 1 -5  25  18 o 84.80298 2.441741  1503.371       85.43044 1613.090       
135.8342 1431.570       109.8839 87.28527 3.706717 82.32069 3.179408 4.964584 
4.883481 
1 1 1 -5  25  19 o 93.98088 2.475111  1884.445       96.08630 1777.828       
147.4138 1963.205       126.6995 91.57378 3.834317 96.38799 3.130929 -4.814217 
4.950222 
1 1 1 -5  25  20 o 105.6989 2.629947  2395.888       112.5241 2263.483       
182.6502 2476.880       142.8520 103.1664 4.216993 108.2313 3.143797 -5.064919 
5.259895 
1 1 1 -5  25  21 o 102.7309 2.604628  2236.623       108.9789 2253.276       
177.2851 2226.509       138.1661 102.9025 4.103623 102.5593 3.208835 0.3431931 
5.209256 
1 1 1 -5  25  22 f 27.53858 5.168441  178.4581       61.79426 126.1062       
97.45015 213.6654       79.91586 24.27180 8.122845 30.80536 6.393005 -6.533562 
10.33688 
1 1 1 -5  25  23 o 29.20568 5.240949  195.7208       64.83433 230.5768       
92.75568 162.4225       90.65943 31.74849 7.133389 26.66286 7.680165 5.085625 
10.48190 
1 1 1 -5  25  24 o 78.27545 2.738576  1325.295       88.76967 1157.129       
130.9090 1468.445       120.7804 73.48555 4.243153 83.06535 3.463359 -9.579796 
5.477153 
1 1 1 -5  25  25 o 43.95333 4.278596  405.0300       77.03979 527.2174       
126.7715 333.4825       97.00761 48.92474 6.171834 38.98191 5.927393 9.942825 
8.557192 
1 1 1 -5  25  26 o 51.59965 3.990241  584.4511       82.58314 585.8460       
138.6146 583.6835       102.8239 51.30359 6.435502 51.89572 4.719365 
-0.5921326     7.980482 
1 1 1 -5  25  27 o 62.30641 3.661488  791.5567       91.67676 1069.536       
160.8064 657.7015       111.5872 69.67949 5.496921 54.93333 4.838372 14.74615 
7.322977 
1 1 1 -5  25  28 o 60.93603 3.605483  803.1588       88.69696 865.9089       
149.3573 768.9726       110.2414 62.39834 5.701306 59.47372 4.415102 2.924625 
7.210966 
1 1 1 -5  25  29 o 34.90662 5.784000  273.4384       80.33313 407.7411       
140.6674 208.4379       97.86095 40.61571 8.521510 29.19752 7.823203 11.41819 
11.56800 
1 1 1 -5  25  30 o 43.32376 4.823044  445.4526       83.37743 405.8448       
128.6495 474.1378       109.4828 40.78437 7.792109 45.86314 5.685953 -5.078770 
9.646088 
1 1 1 -5  25  31 o 17.97895 5.347724  2.234131       76.66241 -114.9504      
113.1639 101.6301       104.2214 14.21843 6.793505 21.73948 8.260806 -7.521045 
10.69545 
1 1 1 -5  25  32 o 44.49290 4.617728  464.4279       86.01487 511.2841       
126.9364 424.6464       116.9617 46.58686 6.489988 42.39894 6.570669 4.187912 
9.235456 
1 1 1 -5  25  33 o 17.73734 5.301597  34.76613       70.89114 -26.76513      
109.3335 79.39904       93.11787 15.95541 7.281155 19.51927 7.707950 -3.563863 
10.60319 
1 1 1 -5  25  34 o 41.45132 5.253345  436.8640       88.67675 534.0942       
136.8093 366.4170       116.4518 45.85038 7.107121 37.05227 7.738174 8.798115 
10.50669 
1 1 1 -5  26  1  o 52.09451 4.144791  604.8165       86.19337 507.5318       
138.6476 666.0991       110.0420 48.32261 6.834125 55.86640 4.691683 -7.543793 
8.289581 
1 1 1 -5  26  2  o 56.94170 3.886152  698.4538       86.88152 685.6582       
151.7640 704.6916       105.9634 56.33508 6.416687 57.54832 4.385753 -1.213245 
7.772304 
1 1 1 -5  26  3  o 93.98057 3.477984  1901.667       128.2707 1832.964       
223.3240 1935.491       156.6961 92.42563 5.755248 95.53551 3.906739 -3.109879 
6.955968 
1 1 1 -5  26  4  o 81.43347 3.401385  1484.271       108.1285 1192.169       
179.7050 1650.040       135.3769 74.58227 5.739125 88.28468 3.652415 -13.70241 
6.802771 
1 1 1 -5  26  5  o 123.6607 3.680051  3234.186       184.5496 3376.493       
305.9004 3152.750       231.4059 125.5334 5.804193 121.7880 4.525755 3.745430 
7.360103 
1 1 1 -5  26  6  o 187.5475 4.601688  7481.867       349.2870 7900.782       
582.9205 7247.205       436.2826 191.0253 7.268410 184.0696 5.645559 6.955780 
9.203376 
1 1 1 -5  26  7  o 70.85705 2.945681  1063.067       87.13657 1078.630       
130.7352 1050.627       116.8843 71.28779 4.368160 70.42631 3.953140 0.8614807 
5.891361 
1 1 1 -5  26  8  o 40.30470 4.415001  377.6390       67.91753 259.2038       
105.1608 462.3918       88.95913 33.95029 7.572716 46.65911 4.541246 -12.70882 
8.830003 
1 1 1 -5  26  9  o 44.64206 3.911013  429.9924       72.47579 384.6320       
106.9490 468.5135       98.55706 42.37321 6.011824 46.91090 5.004205 -4.537682 
7.822027 
1 1 1 -5  26  10 o 120.6645 2.974315  3065.157       148.0911 3203.500       
234.1522 2972.928       191.1851 122.8184 4.541047 118.5106 3.842537 4.307793 
5.948630 
1 1 1 -5  26  11 o 128.3286 3.173179  3483.046       166.2146 3555.157       
269.7120 3438.890       211.0562 129.2296 4.971178 127.4275 3.945080 1.802078 
6.346358 
1 1 1 -5  26  12 o 148.9059 3.658681  4723.945       228.6210 4529.469       
319.3422 4928.419       327.4481 145.7441 5.218990 152.0676 5.128930 -6.323563 
7.317361 
1 1 1 -5  26  13 o 72.63295 3.202785  1113.683       97.11135 1186.586       
146.9587 1057.173       129.3859 74.69859 4.686018 70.56730 4.367215 4.131294 
6.405570 
1 1 1 -5  26  14 o 65.28489 3.449925  915.1865       93.69096 833.6221       
138.0473 984.8399       127.5701 62.48928 5.261909 68.08051 4.463209 -5.591228 
6.899850 
1 1 1 -5  26  15 o 110.0811 3.214644  2583.786       147.9277 2495.091       
217.2927 2660.399       201.9513 108.2401 4.781654 111.9222 4.297853 -3.682144 
6.429289 
1 1 1 -5  26  16 o 55.62505 3.552501  656.8113       82.51535 760.1010       
121.2445 567.6926       112.6207 59.71024 4.836536 51.53985 5.204707 8.170391 
7.105002 
1 1 1 -5  26  17 o 129.3057 3.421297  3551.467       179.6700 3632.716       
295.3357 3503.728       226.3808 130.2151 5.402263 128.3964 4.199600 1.818695 
6.842594 
1 1 1 -5  26  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -5  26  19 o 31.97625 5.569957  223.1795       75.87177 332.9110       
117.0279 143.6138       99.65215 38.35807 7.535532 25.59443 8.204476 12.76364 
11.13991 
1 1 1 -5  26  20 o 54.47069 3.037368  618.3907       68.49253 724.1149       
108.4935 548.3338       88.31657 58.22137 4.438563 50.72000 4.147477 7.501373 
6.074735 
1 1 1 -5  26  21 o 56.89763 3.022738  696.6843       71.08282 661.2424       
108.9802 722.9271       93.77682 55.53084 4.674491 58.26442 3.833656 -2.733582 
6.045476 
1 1 1 -5  26  22 o 24.55334 5.671866  131.6002       70.07100 77.51265       
103.8672 176.7766       94.92606 21.42252 8.215647 27.68415 7.821984 -6.261625 
11.34373 
1 1 1 -5  26  23 o 66.95194 3.054265  948.7155       84.88593 1050.691       
132.5138 877.7497       110.5444 69.89148 4.516042 64.01241 4.113331 5.879074 
6.108530 
1 1 1 -5  26  24 o 43.94668 4.334628  447.1454       74.04764 353.0223       
114.8843 514.0356       96.84879 39.13453 7.264482 48.75883 4.731098 -9.624298 
8.669256 
1 1 1 -5  26  25 o 88.26947 3.195520  1684.394       113.8952 1688.839       
188.6470 1681.845       142.8734 88.00003 5.106088 88.53890 3.843601 
-0.5388718     6.391041 
1 1 1 -5  26  26 o 27.87708 4.959641  78.48352       76.55262 424.6825       
131.7330 -98.03951      94.06599 42.46710 7.669405 13.28706 6.290658 29.18004 
9.919282 
1 1 1 -5  26  27 o 21.94689 6.003211  87.03896       76.08470 112.1735       
128.0127 73.31033       94.60866 23.68364 9.110454 20.21015 7.820089 3.473488 
12.00642 
1 1 1 -5  26  28 o 43.84332 4.930450  403.8683       83.97442 674.7888       
144.5832 265.9555       103.1571 54.52491 6.316026 33.16173 7.572659 21.36317 
9.860900 
1 1 1 -5  26  29 o 35.81915 5.667040  310.0092       80.05598 343.1205       
136.3225 292.5791       98.90752 36.63650 8.931375 35.00180 6.977961 1.634705 
11.33408 
1 1 1 -5  26  30 o 15.80726 5.129135  -51.31786      76.70628 -12.93711      
118.6006 -78.91740      100.5730 17.49855 7.830932 14.11598 6.626356 3.382569 
10.25827 
1 1 1 -5  26  31 o 36.40170 5.529168  333.9520       81.74424 334.6319       
120.4618 333.3716       111.2898 36.18921 8.127925 36.61419 7.498242 
-0.4249802     11.05834 
1 1 1 -5  26  32 o 30.03877 5.640710  241.5988       73.01021 202.4491       
111.4954 270.9884       96.60262 27.31408 8.670538 32.76345 7.217494 -5.449368 
11.28142 
1 1 1 -5  26  33 o 22.32239 6.016762  127.5156       80.49070 82.51883       
117.4055 167.4213       110.5644 20.16549 8.389879 24.47928 8.626450 -4.313787 
12.03352 
1 1 1 -5  27  1  o 97.89293 3.315149  2062.114       134.7720 2006.822       
204.6131 2104.483       179.1147 96.56432 5.047053 99.22154 4.299780 -2.657219 
6.630299 
1 1 1 -5  27  2  o 120.6226 4.125801  3174.021       191.7818 3085.946       
345.1284 3213.366       230.6748 118.6503 6.928400 122.5949 4.481763 -3.944572 
8.251601 
1 1 1 -5  27  3  o 23.56554 5.588212  114.0217       72.47603 1.043720       
120.0158 178.8723       90.92812 19.11021 8.235284 28.02087 7.555961 -8.910660 
11.17642 
1 1 1 -5  27  4  o 35.47650 5.344223  287.7787       75.67992 258.1380       
125.9630 304.5221       94.67193 33.41242 8.840901 37.54058 6.006774 -4.128162 
10.68845 
1 1 1 -5  27  5  o 181.3640 4.934061  7104.650       286.2500 7254.895       
678.9279 7072.169       315.6801 180.3757 8.965338 182.3523 4.123415 -1.976563 
9.868122 
1 1 1 -5  27  6  o 75.11853 3.290891  1197.099       95.75420 1220.728       
173.2594 1186.708       114.8953 75.42127 5.471721 74.81579 3.657884 0.6054840 
6.581781 
1 1 1 -5  27  7  o 105.2000 2.954575  2359.371       128.8987 2307.049       
197.1024 2398.470       170.3831 104.0690 4.511195 106.3310 3.816698 -2.261978 
5.909151 
1 1 1 -5  27  8  o 166.9959 3.279979  5945.637       229.6961 5899.428       
332.1619 5987.984       317.9807 166.3087 4.757249 167.6831 4.516817 -1.374420 
6.559958 
1 1 1 -5  27  9  f 31.48248 5.634113  227.8907       74.38177 202.6633       
113.8960 246.6516       98.21975 29.90644 8.606315 33.05853 7.273532 -3.152081 
11.26823 
1 1 1 -5  27  10 o 98.90727 3.020926  2046.365       121.3164 2209.514       
201.9884 1954.302       151.7325 101.8019 4.725979 96.01267 3.764186 5.789200 
6.041852 
1 1 1 -5  27  11 o 34.14570 5.328493  267.1212       74.38538 221.5540       
118.4420 296.8001       95.58800 31.17767 8.714208 37.11373 6.134651 -5.936062 
10.65699 
1 1 1 -5  27  12 o 115.4983 2.969910  2850.554       143.0133 2678.645       
211.0609 2996.484       194.4601 112.1620 4.482115 118.8346 3.897705 -6.672546 
5.939820 
1 1 1 -5  27  13 o 89.31067 2.998155  1705.696       111.6263 1598.374       
164.6531 1796.977       151.8500 86.61546 4.527886 92.00588 3.931155 -5.390419 
5.996310 
1 1 1 -5  27  14 o 62.45482 3.171130  831.2247       82.71270 830.3978       
123.3782 831.8996       111.4726 62.37858 4.711120 62.53106 4.246130 
-0.1524734     6.342261 
1 1 1 -5  27  15 f 25.71089 6.000057  142.2221       75.86642 117.8809       
110.5640 163.8804       104.2930 24.32157 8.620805 27.10020 8.347723 -2.778631 
12.00011 
1 1 1 -5  27  16 o 83.41862 2.956309  1486.045       102.9803 1434.181       
152.1561 1529.884       139.8883 82.00235 4.419611 84.83491 3.927606 -2.832558 
5.912617 
1 1 1 -5  27  17 o 30.95732 5.670829  202.5382       79.49744 351.9452       
122.4791 93.77234       104.5016 39.35752 7.686540 22.55713 8.339684 16.80039 
11.34166 
1 1 1 -5  27  18 o 130.4490 3.507056  3674.719       190.3975 3467.523       
283.6422 3844.646       256.8697 126.8595 5.325603 134.0386 4.564615 -7.179054 
7.014112 
1 1 1 -5  27  19 o 53.34719 3.745065  616.8546       82.72169 596.8257       
126.7112 631.7311       109.2037 52.45787 5.753412 54.23652 4.795862 -1.778652 
7.490129 
1 1 1 -5  27  20 o 46.45606 6.417479  473.3716       125.1658 473.3716       
125.1658 0.000000       0.000000 46.45606 6.417479 ?        ?        ? ? 
1 1 1 -5  27  21 o 62.31972 3.769633  841.6956       98.52103 788.8839       
136.9052 898.4215       141.8879 60.26398 5.411071 64.37545 5.249841 -4.111469 
7.539265 
1 1 1 -5  27  22 o 15.39051 4.959293  -51.94606      70.53434 -36.31174      
104.8249 -64.88136      95.34838 16.28484 7.322612 14.49619 6.690121 1.788651 
9.918587 
1 1 1 -5  27  23 o 75.60596 3.006500  1237.526       94.86381 1124.579       
137.1089 1341.247       131.3892 72.15214 4.526238 79.05978 3.958451 -6.907639 
6.013000 
1 1 1 -5  27  24 o 55.87248 3.530033  699.2759       80.32552 558.2684       
120.0065 813.7263       108.1165 50.31997 5.680483 61.42500 4.192451 -11.10503 
7.060067 
1 1 1 -5  27  25 o 39.38052 5.141136  403.7630       77.47345 217.6728       
123.7332 523.7639       99.36111 29.77706 9.076430 48.98399 4.831515 -19.20693 
10.28227 
1 1 1 -5  27  26 o 24.41217 6.142401  130.3011       76.73152 155.5118       
129.2827 116.5906       95.33984 25.95739 9.309808 22.86695 8.015224 3.090439 
12.28480 
1 1 1 -5  27  27 o 52.89839 4.047936  630.9965       85.90907 611.5671       
142.4753 642.0963       107.6879 51.73015 6.560198 54.06664 4.744151 -2.336487 
8.095873 
1 1 1 -5  27  28 o 41.16158 4.825400  416.0710       75.22616 335.0056       
124.8104 462.3219       94.27428 36.62723 8.306045 45.69593 4.914018 -9.068699 
9.650801 
1 1 1 -5  27  29 o 40.15656 4.840599  384.7827       74.35580 373.2543       
128.0528 390.6470       91.33020 38.56960 8.158916 41.74352 5.211305 -3.173920 
9.681198 
1 1 1 -5  27  30 o 65.10835 3.390954  933.0211       91.82358 1048.767       
142.2202 850.2813       120.2448 68.38979 4.953260 61.82692 4.632439 6.562866 
6.781908 
1 1 1 -5  27  31 o 20.31721 5.882076  76.87813       79.88940 74.44494       
115.7886 79.08880       110.3676 20.31991 8.385111 20.31450 8.251375 
0.5411148E-02  11.76415 
1 1 1 -5  27  32 o 59.63450 3.703402  821.2972       92.46931 897.2993       
136.7187 757.2175       125.5382 62.16214 5.238695 57.10685 5.236108 5.055290 
7.406805 
1 1 1 -5  27  33 o 22.37911 5.803757  134.4626       74.37505 82.06024       
112.7557 174.8223       98.95482 19.80650 8.230128 24.95172 8.185314 -5.145224 
11.60751 
1 1 1 -5  28  1  o 81.89296 3.195300  1469.896       103.0701 1366.353       
176.1331 1523.818       127.1056 79.27448 5.292106 84.51144 3.582370 -5.236961 
6.390599 
1 1 1 -5  28  2  o 84.86443 3.441713  1590.042       118.7390 1383.131       
185.2062 1734.441       154.7203 79.72744 5.533103 90.00141 4.094671 -10.27397 
6.883427 
1 1 1 -5  28  3  f 47.28355 4.153386  486.5879       78.94570 490.6883       
132.1701 484.3135       98.43417 47.18179 6.672367 47.38531 4.947927 
-0.2035217     8.306772 
1 1 1 -5  28  4  o 46.22350 4.767287  517.0518       80.50645 362.4724       
135.0143 602.3353       100.2851 39.44865 8.402045 52.99836 4.507078 -13.54971 
9.534575 
1 1 1 -5  28  5  o 31.61497 5.569358  244.8117       75.98557 144.5005       
130.5175 296.2438       93.45687 26.33439 9.363211 36.89555 6.033347 -10.56117 
11.13872 
1 1 1 -5  28  6  o 91.61272 3.319521  1686.345       116.2129 2078.283       
224.1387 1542.242       135.9079 98.10514 5.441844 85.12031 3.803055 12.98483 
6.639043 
1 1 1 -5  28  7  o 97.76631 2.794999  2027.528       113.9368 2104.384       
172.7944 1968.409       151.5497 99.32915 4.143563 96.20348 3.752195 3.125664 
5.589999 
1 1 1 -5  28  8  o 121.0669 3.241260  3056.409       160.4126 3480.414       
264.7030 2810.318       201.6608 127.3437 4.951107 114.7901 4.184449 12.55366 
6.482521 
1 1 1 -5  28  9  o 47.91959 3.725844  502.7908       73.53486 426.7346       
109.2029 565.8885       99.46577 44.40709 5.857375 51.43209 4.606389 -7.025002 
7.451688 
1 1 1 -5  28  10 o 143.8712 3.195030  4444.471       191.5364 4234.603       
284.8065 4617.766       258.8035 140.5749 4.825732 147.1676 4.188698 -6.592682 
6.390061 
1 1 1 -5  28  11 o 41.11523 4.212627  360.6933       69.34895 488.4548       
107.0944 268.4340       91.00635 47.63001 5.355589 34.60045 6.504043 13.02956 
8.425255 
1 1 1 -5  28  12 o 26.10430 5.759260  150.5721       70.10748 175.4497       
102.6992 128.8616       95.93950 27.78703 8.229125 24.42156 8.059640 3.365469 
11.51852 
1 1 1 -5  28  13 o 28.63207 5.622627  189.2370       70.24844 166.6630       
105.2470 207.3739       94.33835 27.17769 8.388701 30.08645 7.489021 -2.908762 
11.24525 
1 1 1 -5  28  14 o 49.83418 3.947475  529.0609       81.85783 594.8864       
126.4715 481.6044       107.3850 52.42112 5.746556 47.24725 5.413625 5.173862 
7.894950 
1 1 1 -5  28  15 o 80.21597 3.098398  1375.526       103.9596 1384.474       
153.9637 1368.028       140.9401 80.39337 4.561621 80.03857 4.194271 0.3548050 
6.196797 
1 1 1 -5  28  16 o 67.42459 3.091285  977.7393       87.03590 880.6476       
124.7447 1069.837       121.4943 64.06554 4.637872 70.78363 4.088314 -6.718086 
6.182570 
1 1 1 -5  28  17 o 32.30667 5.258034  250.7272       73.50359 137.7752       
111.8175 336.6740       97.53886 25.30286 8.698224 39.31047 5.910041 -14.00761 
10.51607 
1 1 1 -5  28  18 o 127.9078 3.282719  3534.076       174.0223 3420.857       
265.7245 3619.101       230.2741 125.8375 5.029704 129.9781 4.219841 -4.140541 
6.565438 
1 1 1 -5  28  19 o 136.7585 3.067969  4050.703       173.4468 3793.388       
264.4720 4244.901       229.7569 132.6088 4.750380 140.9083 3.883765 -8.299484 
6.135939 
1 1 1 -5  28  20 o 45.61848 4.377005  457.3778       83.65820 479.7790       
123.1947 438.2074       113.9648 46.61476 6.294911 44.62221 6.083320 1.992546 
8.754009 
1 1 1 -5  28  21 f 118.5696 4.407499  3164.648       204.4746 2953.841       
352.8218 3271.257       250.9065 114.3420 7.349717 122.7972 4.866811 -8.455185 
8.814998 
1 1 1 -5  28  22 o 56.84229 5.764363  712.6742       137.5631 712.6742       
137.5631 0.000000       0.000000 56.84229 5.764363 ?        ?        ? ? 
1 1 1 -5  28  23 o 74.38521 3.399049  1198.743       105.5711 1386.896       
155.2669 1036.969       143.9721 79.88129 4.629723 68.88913 4.977931 10.99216 
6.798097 
1 1 1 -5  28  24 o 97.69171 2.861497  2081.892       116.1343 1817.265       
168.5372 2321.143       160.2531 91.47816 4.388330 103.9053 3.673584 -12.42711 
5.722995 
1 1 1 -5  28  25 o 62.93034 3.602658  850.5884       91.71783 959.3303       
155.0797 792.0911       113.7429 65.60766 5.630171 60.25303 4.496416 5.354630 
7.205316 
1 1 1 -5  28  26 o 38.02998 5.135839  333.6563       74.82881 367.0244       
134.1000 318.5685       90.17305 38.37973 8.544938 37.68023 5.700123 0.6994934 
10.27168 
1 1 1 -5  28  27 o 87.81036 2.783617  1693.306       101.1304 1554.943       
152.5351 1801.829       135.0889 84.27452 4.311163 91.34619 3.522494 -7.071671 
5.567234 
1 1 1 -5  28  28 o 34.32854 5.845592  281.7287       80.86662 378.8457       
136.5955 229.3241       100.3399 38.43450 8.671065 30.22257 7.841965 8.211926 
11.69118 
1 1 1 -5  28  29 o 43.68516 5.034971  476.1241       83.66302 407.1247       
139.2209 515.1260       104.6708 39.61932 8.610664 47.75100 5.221128 -8.131676 
10.06994 
1 1 1 -5  28  30 o 25.29172 6.049345  169.5888       81.89522 87.05152       
127.0506 228.2599       107.1183 21.29067 8.784181 29.29277 8.319644 -8.002106 
12.09869 
1 1 1 -5  28  31 o 21.97077 5.656981  99.14977       73.26105 213.2605       
112.1598 14.23588       96.75275 27.49055 8.693262 16.45099 7.241060 11.03956 
11.31396 
1 1 1 -5  28  32 o 24.66422 6.251455  175.3721       82.32999 184.0449       
119.8266 167.6168       113.3108 25.08690 8.966330 24.24153 8.713651 0.8453770 
12.50291 
1 1 1 -5  29  1  o 58.54374 3.867917  665.8777       86.22449 979.7114       
171.5171 559.7411       99.74477 66.33200 6.158930 50.75548 4.680888 15.57652 
7.735835 
1 1 1 -5  29  2  o 118.2106 3.741269  3055.896       173.4562 3058.541       
304.3833 3054.624       211.0838 117.3806 6.176546 119.0406 4.223583 -1.659996 
7.482538 
1 1 1 -5  29  3  o 47.37601 4.206872  495.2099       79.70308 493.4003       
134.3514 496.1927       99.00721 46.95443 6.815325 47.79759 4.933804 
-0.8431587     8.413743 
1 1 1 -5  29  4  o 62.43706 3.760741  850.7502       93.72002 845.3444       
158.6943 853.6454       116.1357 61.91990 6.104530 62.95422 4.394021 -1.034317 
7.521483 
1 1 1 -5  29  5  o 72.09103 3.455787  1060.527       97.71548 1307.858       
179.5045 956.3707       116.4874 77.42416 5.522300 66.75790 4.156209 10.66627 
6.911575 
1 1 1 -5  29  6  o 22.92391 5.815716  97.28529       71.04698 154.8551       
113.1000 59.75990       91.31190 26.24482 8.750808 19.60300 7.662478 6.641817 
11.63143 
1 1 1 -5  29  7  o 40.59340 5.174505  355.1918       78.70924 421.7500       
148.3007 329.0911       92.86851 42.34277 8.641367 38.84403 5.694626 3.498737 
10.34901 
1 1 1 -5  29  8  o 22.50077 5.731279  100.6442       68.41154 106.9650       
107.4242 96.33181       88.73093 23.22517 8.470782 21.77638 7.722441 1.448793 
11.46256 
1 1 1 -5  29  9  o 24.08579 5.740093  120.4486       73.72592 44.93581       
109.1208 183.8695       100.0032 20.03051 8.181602 28.14108 8.053327 -8.110563 
11.48019 
1 1 1 -5  29  10 o 64.13898 3.217214  881.6947       86.45917 963.5404       
125.5376 807.8447       119.2482 66.99101 4.463528 61.28694 4.634521 5.704071 
6.434429 
1 1 1 -5  29  11 o 45.10108 4.397758  443.2738       82.86287 509.0340       
121.8529 386.7048       113.0169 48.25678 6.014485 41.94538 6.417715 6.311401 
8.795516 
1 1 1 -5  29  12 o 111.2203 3.019438  2650.244       140.8477 2491.895       
197.1888 2815.184       201.2508 107.7823 4.357687 114.6583 4.180741 -6.876038 
6.038876 
1 1 1 -5  29  13 o 15.85547 5.046433  -37.99263      69.91601 -29.80031      
106.7554 -44.14557      92.51820 16.73983 7.462083 14.97111 6.795828 1.768721 
10.09287 
1 1 1 -5  29  14 o 35.63691 5.165785  292.4644       75.96223 208.1530       
107.1651 377.6044       107.6905 29.79657 8.276242 41.47725 6.184268 -11.68068 
10.33157 
1 1 1 -5  29  15 o 21.17845 5.809251  72.51978       73.50325 90.02151       
110.6250 58.68587       98.35249 22.36194 8.506866 19.99496 7.913457 2.366983 
11.61850 
1 1 1 -5  29  16 o 47.01672 4.133590  489.7344       80.53509 426.5569       
117.9622 544.8901       110.2193 43.95161 6.392770 50.08183 5.242018 -6.130211 
8.267179 
1 1 1 -5  29  17 o 64.06110 3.337745  879.3435       89.19766 952.6884       
135.7128 823.5641       118.3511 66.33224 4.873232 61.78996 4.562212 4.542282 
6.675490 
1 1 1 -5  29  18 o 55.91875 3.623618  669.2836       83.84880 745.6806       
132.6085 618.3930       108.2310 58.42203 5.406495 53.41547 4.826203 5.006565 
7.247235 
1 1 1 -5  29  19 o 81.88151 3.066406  1445.299       105.3005 1469.668       
152.9830 1423.358       145.1597 82.49554 4.417064 81.26747 4.254518 1.228073 
6.132811 
1 1 1 -5  29  20 o 37.54657 5.900463  330.2248       90.55921 259.8824       
119.5192 425.0454       138.7651 32.73885 8.588491 42.35430 8.093186 -9.615448 
11.80093 
1 1 1 -5  29  21 o 75.04643 3.385735  1236.661       105.6369 1138.079       
156.4294 1319.306       143.2282 72.04611 5.171649 78.04675 4.371140 -6.000641 
6.771471 
1 1 1 -5  29  22 o 73.53384 3.405308  1181.165       104.9607 1273.153       
150.4096 1093.849       146.5398 76.39839 4.689348 70.66930 4.939079 5.729095 
6.810616 
1 1 1 -5  29  23 o 20.25001 8.360084  52.95308       115.1711 0.000000       
0.000000 52.95308       115.1711 ?        ?        20.25001 8.360084 ? ? 
1 1 1 -5  29  24 o 28.67418 9.565259  206.8124       135.1325 206.8124       
135.1325 0.000000       0.000000 28.67418 9.565259 ?        ?        ? ? 
1 1 1 -5  29  25 o 83.55568 3.619894  1553.791       126.6560 1462.650       
181.4923 1640.315       176.8357 80.96075 5.339552 86.15060 4.889143 -5.189842 
7.239789 
1 1 1 -5  29  26 o 97.62315 3.200505  2125.711       127.9831 1951.905       
198.9334 2248.449       167.1724 93.60125 5.062291 101.6451 3.917414 -8.043800 
6.401010 
1 1 1 -5  29  27 o 65.54965 3.589664  975.1598       94.66634 910.1172       
154.2953 1014.424       119.8818 63.12408 5.822088 67.97523 4.200720 -4.851158 
7.179328 
1 1 1 -5  29  28 o 30.26302 6.180956  223.4604       81.49595 336.0133       
137.3415 162.2932       101.2471 35.31752 9.179622 25.20851 8.279579 10.10900 
12.36191 
1 1 1 -5  29  29 o 30.74099 5.704574  234.3334       77.69595 373.9607       
122.0503 139.1958       100.7465 38.09731 7.896246 23.38466 8.235166 14.71264 
11.40915 
1 1 1 -5  29  30 o 28.05488 6.209086  227.2240       83.27964 181.8324       
126.3076 262.1329       110.7670 25.29296 9.189065 30.81680 8.352970 -5.523836 
12.41817 
1 1 1 -5  29  31 o 21.50489 5.967526  109.8499       81.15751 171.3924       
117.7105 54.08720       112.0469 24.40975 8.870569 18.60004 7.984891 5.809710 
11.93505 
1 1 1 -5  30  1  f 20.39289 5.821318  61.65477       78.33744 23.95392       
116.5058 92.76481       105.8333 19.05210 8.159336 21.73368 8.305192 -2.681585 
11.64264 
1 1 1 -5  30  2  o 26.50874 6.209828  163.9606       79.79795 200.5612       
123.7981 137.9440       104.3744 28.54748 9.143941 24.47001 8.404535 4.077465 
12.41966 
1 1 1 -5  30  3  o 48.52044 4.232784  526.8992       81.47567 519.6057       
139.0014 530.7166       100.5621 47.77393 6.930257 49.26695 4.861829 -1.493023 
8.465569 
1 1 1 -5  30  4  o 26.91155 6.065064  158.4280       75.49161 233.9927       
126.8083 116.9458       93.95484 30.82609 9.147237 22.99700 7.966685 7.829092 
12.13013 
1 1 1 -5  30  5  o 33.04733 5.459374  283.6790       79.25269 129.0965       
129.2873 376.7316       100.3090 24.83165 9.256978 41.26300 5.790288 -16.43135 
10.91875 
1 1 1 -5  30  6  o 79.43224 3.340771  1368.990       107.8330 1376.417       
176.0174 1364.529       136.4331 79.26654 5.289161 79.59795 4.082621 
-0.3314056     6.681543 
1 1 1 -5  30  7  o 37.83566 5.516267  335.3402       81.38556 327.1734       
141.5791 339.3707       99.46117 36.53055 9.224004 39.14076 6.052648 -2.610210 
11.03253 
1 1 1 -5  30  8  o 45.53945 4.390111  477.0611       79.03148 368.3757       
116.3277 570.2303       107.7045 39.89722 7.208937 51.18167 5.012339 -11.28445 
8.780223 
1 1 1 -5  30  9  o 14.76949 4.833596  -66.89142      70.21381 -82.87231      
109.3250 -55.67159      91.60356 15.14224 7.055099 14.39673 6.609100 0.7455091 
9.667192 
1 1 1 -5  30  10 o 55.65578 3.700128  680.9046       85.48692 572.8570       
121.6811 786.2105       120.1274 51.07666 5.674420 60.23489 4.750235 -9.158226 
7.400255 
1 1 1 -5  30  11 o 67.92982 3.359168  1005.490       94.96718 861.1674       
134.7389 1147.964       133.8730 62.89480 5.102693 72.96484 4.370191 -10.07004 
6.718337 
1 1 1 -5  30  12 o 113.7631 3.164538  2798.924       150.4716 2742.577       
222.1383 2846.701       204.5465 112.5394 4.701540 114.9868 4.237065 -2.447433 
6.329075 
1 1 1 -5  30  13 o 62.05357 3.274032  823.9229       84.79449 927.5577       
128.5894 744.1866       112.7925 65.44711 4.679890 58.66002 4.579933 6.787083 
6.548065 
1 1 1 -5  30  14 o 124.8133 3.457165  3381.526       180.1864 3417.684       
269.5784 3352.328       242.2507 125.2036 5.128487 124.4230 4.637519 0.7806625 
6.914330 
1 1 1 -5  30  15 o 58.53442 3.541434  750.0242       86.54898 686.7371       
125.1216 808.0871       119.8462 56.01840 5.320137 61.05045 4.675807 -5.032043 
7.082869 
1 1 1 -5  30  16 o 74.26018 3.258298  1195.701       101.5825 1189.683       
143.7692 1201.702       143.5498 74.06556 4.623498 74.45480 4.592309 
-0.3892365     6.516597 
1 1 1 -5  30  17 o 49.02711 4.188808  537.6258       84.46619 416.7950       
118.6926 661.6046       120.2288 43.09734 6.559853 54.95689 5.210834 -11.85955 
8.377616 
1 1 1 -5  30  18 o 24.97898 5.395023  135.2406       75.26122 -17.94543      
115.4536 248.4372       99.24635 17.58283 7.803890 32.37513 7.451468 -14.79230 
10.79005 
1 1 1 -5  30  19 o 57.03233 3.969607  715.5838       94.64987 669.5135       
126.9439 773.2578       142.0338 55.04233 5.493337 59.02233 5.731873 -3.980000 
7.939214 
1 1 1 -5  30  20 o 83.98198 3.342280  1532.669       117.4671 1433.717       
158.5612 1653.042       174.8826 81.04076 4.660308 86.92319 4.792168 -5.882439 
6.684560 
1 1 1 -5  30  21 o 92.18613 3.329335  1834.988       127.9564 1608.293       
169.9620 2131.583       194.4070 85.69204 4.724244 98.68021 4.692484 -12.98817 
6.658670 
1 1 1 -5  30  22 o 21.35391 6.005803  58.44500       85.17511 148.8141       
125.6606 -18.36219      115.8484 25.32979 9.169131 17.37803 7.759233 7.951759 
12.01161 
1 1 1 -5  30  23 o 40.21249 5.592076  394.9552       90.92886 405.2924       
126.7783 384.0042       130.4875 40.93818 7.659986 39.48680 8.149224 1.451385 
11.18415 
1 1 1 -5  30  24 o 39.41008 5.780231  368.9059       93.93333 513.5265       
146.7482 268.5205       122.2624 46.47659 7.520723 32.34356 8.779691 14.13303 
11.56046 
1 1 1 -5  30  25 o 38.91058 8.041095  378.0056       126.8902 0.000000       
0.000000 378.0056       126.8902 ?        ?        38.91058 8.041095 ? ? 
1 1 1 -5  30  26 o 76.19499 4.085325  1325.544       130.5179 1254.637       
179.3069 1405.452       190.3479 74.04362 5.768070 78.34635 5.786960 -4.302727 
8.170650 
1 1 1 -5  30  27 o 32.50997 6.586846  291.1679       94.83772 269.6848       
136.0773 311.4583       132.2463 31.14116 9.523671 33.87878 9.101970 -2.737623 
13.17369 
1 1 1 -5  30  28 o 47.46624 4.614330  527.8830       89.07288 599.1511       
148.3186 487.6795       111.3987 49.28748 7.167706 45.64499 5.813102 3.642490 
9.228660 
1 1 1 -5  30  29 o 21.21683 5.974321  107.1990       80.14206 79.39142       
129.6294 124.4035       101.9633 20.44043 8.675276 21.99322 8.216424 -1.552790 
11.94864 
1 1 1 -5  30  30 o 25.42267 6.031516  187.5474       77.84754 147.2259       
118.4730 218.1855       103.2720 23.06010 8.794394 27.78525 8.256837 -4.725153 
12.06303 
1 1 1 -5  31  1  o 51.27692 5.331751  655.2695       101.6602 547.1231       
172.8593 712.4524       125.6956 46.14475 9.248807 56.40908 5.307526 -10.26433 
10.66350 
1 1 1 -5  31  2  o 41.80007 5.886164  449.6360       92.54897 374.3329       
166.0728 483.5566       111.4611 37.28090 10.28277 46.31924 5.731694 -9.038342 
11.77233 
1 1 1 -5  31  3  o 35.53875 6.618636  280.5296       96.00553 488.4274       
176.2013 192.7505       114.4933 43.29749 9.903690 27.78000 8.783069 15.51749 
13.23727 
1 1 1 -5  31  4  o 40.96742 6.352498  363.0235       98.71948 602.3164       
189.6001 274.0235       115.6295 48.67567 9.620210 33.25918 8.298703 15.41648 
12.70500 
1 1 1 -5  31  5  o 41.51820 5.242998  393.4946       85.54658 450.1427       
146.1096 363.9458       105.5251 42.91984 8.408337 40.11657 6.265458 2.803265 
10.48600 
1 1 1 -5  31  6  o 53.03191 4.067373  595.0595       87.34573 756.2966       
149.5995 511.6656       107.5883 57.97564 6.146186 48.08818 5.329024 9.887459 
8.134747 
1 1 1 -5  31  7  o 45.53083 5.269713  521.9777       89.37206 367.4329       
146.8761 612.8417       112.6211 38.27388 9.233419 52.78778 5.081680 -14.51389 
10.53943 
1 1 1 -5  31  8  o 54.39400 4.220910  644.8838       93.58426 729.2297       
155.2667 596.7589       117.2818 56.80727 6.510216 51.98074 5.374144 4.826530 
8.441820 
1 1 1 -5  31  9  o 75.20270 3.116746  1227.035       98.34188 1289.431       
141.0797 1168.062       137.1561 77.08830 4.359102 73.31709 4.455856 3.771210 
6.233492 
1 1 1 -5  31  10 o 66.75639 3.449031  994.2275       94.46947 814.8056       
139.4752 1146.309       128.4097 60.73209 5.470160 72.78069 4.202453 -12.04860 
6.898062 
1 1 1 -5  31  11 o 92.70934 3.021631  1860.329       117.0278 1874.208       
174.5711 1849.001       157.7143 92.88403 4.476642 92.53464 4.059642 0.3493881 
6.043262 
1 1 1 -5  31  12 o 28.51806 5.936415  196.7936       75.70591 201.4127       
110.2090 192.6665       104.1743 28.79501 8.524087 28.24112 8.264625 0.5538940 
11.87283 
1 1 1 -5  31  13 o 44.81477 4.656446  465.3264       83.53015 379.5864       
121.4358 542.3254       115.0793 40.11265 7.489130 49.51688 5.535603 -9.404232 
9.312892 
1 1 1 -5  31  14 o 17.67252 5.487539  -6.960508      78.41948 15.51607       
115.3564 -26.27209      106.9265 18.76007 8.078999 16.58496 7.428466 2.175112 
10.97508 
1 1 1 -5  31  15 o 18.07788 5.512027  -0.8431522     75.95303 58.68031       
119.0772 -41.67094      98.61941 20.79306 8.528799 15.36270 6.984939 5.430366 
11.02405 
1 1 1 -5  31  16 o 24.09642 5.959575  126.9755       75.73809 174.6330       
110.5938 84.88367       103.9356 26.90007 8.645198 21.29277 8.205285 5.607302 
11.91915 
1 1 1 -5  31  17 o 41.84605 4.845694  401.2442       82.55733 479.0864       
122.3431 336.1630       111.8664 46.04619 6.328588 37.64592 7.339753 8.400265 
9.691387 
1 1 1 -5  31  18 o 40.60455 5.173950  386.2864       86.20179 351.9794       
119.3905 423.6474       124.5912 38.26523 7.702242 42.94388 6.910463 -4.678646 
10.34790 
1 1 1 -5  31  19 o 92.47073 3.226630  1870.527       125.1583 1845.554       
173.0041 1897.949       181.2874 91.88827 4.484536 93.05319 4.640421 -1.164925 
6.453260 
1 1 1 -5  31  20 o 100.4468 3.504809  2216.401       147.3047 2068.934       
198.6164 2396.677       219.6014 96.82698 4.885846 104.0667 5.026257 -7.239677 
7.009618 
1 1 1 -5  31  21 o 37.58083 5.765527  350.5732       90.87010 451.7015       
128.7036 250.0521       128.3167 44.04745 6.959709 31.11421 9.193893 12.93323 
11.53105 
1 1 1 -5  31  22 o 42.62461 5.321361  436.9881       92.99158 402.7486       
130.7937 471.9881       132.2382 40.38476 7.998652 44.86447 7.020620 -4.479706 
10.64272 
1 1 1 -5  31  23 o 43.33223 5.509418  470.7076       95.44521 360.9727       
140.4220 564.9394       130.1252 37.17424 9.066042 49.49022 6.262719 -12.31598 
11.01884 
1 1 1 -5  31  24 o 41.30117 5.098289  337.0250       93.05099 921.8030       
161.6824 47.40792       113.7835 63.20081 6.093421 19.40153 8.175600 43.79928 
10.19658 
1 1 1 -5  31  25 o 26.49426 6.618191  180.8188       89.11903 207.9917       
149.6027 165.8720       110.9545 27.61874 10.00389 25.36978 8.667408 2.248964 
13.23638 
1 1 1 -5  31  26 o 35.74093 6.122850  304.1490       93.06340 556.4205       
158.3859 171.1303       115.0108 46.09822 8.502986 25.38364 8.812287 20.71458 
12.24570 
1 1 1 -5  31  27 o 18.32315 7.954010  36.76693       113.5198 0.000000       
0.000000 36.76693       113.5198 ?        ?        18.32315 7.954010 ? ? 
1 1 1 -5  31  28 o 15.88540 5.362747  -91.64896      98.72461 -112.7155      
156.0320 -77.58498      127.4885 16.31732 7.839540 15.45347 7.319688 0.8638439 
10.72549 
1 1 1 -5  32  1  o 41.91785 6.542794  492.5009       104.5828 403.9628       
197.3116 527.0933       123.3327 36.26924 11.53652 47.56646 6.175876 -11.29721 
13.08559 
1 1 1 -5  32  2  o 35.78941 6.828468  319.4088       93.09650 416.7195       
193.5969 290.1375       106.1791 37.47772 11.33928 34.10110 7.611351 3.376621 
13.65694 
1 1 1 -5  32  3  o 21.41811 6.390511  54.17135       87.10381 129.2050       
172.6514 28.55256       100.8838 24.93011 10.25509 17.90612 7.628081 7.023991 
12.78102 
1 1 1 -5  32  4  o 21.67990 6.370617  72.00303       97.72598 -29.25168      
174.4510 118.3100       117.9748 20.23885 9.225478 23.12094 8.788037 -2.882088 
12.74123 
1 1 1 -5  32  5  o 23.01071 6.531740  46.00896       90.78089 235.5130       
174.3738 -24.45040      106.3265 29.69959 10.79618 16.32184 7.355067 13.37775 
13.06348 
1 1 1 -5  32  6  o 43.49250 5.681401  427.2312       94.49311 560.5213       
174.5446 371.9706       112.3868 46.88610 9.194937 40.09891 6.675808 6.787189 
11.36280 
1 1 1 -5  32  7  o 75.12124 3.857507  1282.528       114.0440 1198.719       
194.4366 1326.481       140.8083 72.34037 6.402039 77.90211 4.305269 -5.561737 
7.715014 
1 1 1 -5  32  8  o 60.31179 4.194406  726.6298       98.87853 1118.240       
186.4794 573.4649       116.6229 69.98662 6.346538 50.63696 5.485764 19.34966 
8.388811 
1 1 1 -5  32  9  o 22.88268 5.857610  97.81927       78.53442 193.7198       
114.1821 11.72164       108.1890 27.84647 8.766367 17.91889 7.771562 9.927582 
11.71522 
1 1 1 -5  32  10 o 19.26006 5.620503  47.69186       73.87967 36.02425       
108.2992 57.84802       101.0413 18.96052 7.982294 19.55960 7.914746 
-0.5990887     11.24101 
1 1 1 -5  32  11 o 16.70665 5.242733  -14.05717      73.87952 -39.60395      
107.1322 9.108789       102.0181 16.00546 7.277978 17.40784 7.548245 -1.402380 
10.48547 
1 1 1 -5  32  12 o 64.59683 3.536021  923.2756       95.65458 892.6599       
138.6833 951.0573       132.1081 63.43850 5.207059 65.75517 4.785425 -2.316669 
7.072041 
1 1 1 -5  32  13 f 38.62822 5.098662  353.7481       80.09583 336.4390       
120.6774 367.3771       107.0825 37.08524 7.979476 40.17120 6.349284 -3.085953 
10.19732 
1 1 1 -5  32  14 o 23.83733 5.954515  131.3272       73.96101 118.6861       
116.5133 139.8588       95.71911 23.41268 8.775900 24.26198 8.050377 
-0.8493004     11.90903 
1 1 1 -5  32  15 o 117.1451 3.288527  3012.893       158.6631 3022.051       
249.4621 3006.671       205.6095 116.7826 5.088003 117.5076 4.167716 
-0.7249985     6.577053 
1 1 1 -5  32  16 o 17.54226 5.580009  -27.42388      86.28439 -2.064916      
127.7867 -48.67419      116.9776 18.65724 8.254329 16.42728 7.510796 2.229956 
11.16002 
1 1 1 -5  32  17 o 99.95702 3.329087  2202.863       139.6034 2243.369       
195.0114 2160.283       199.9389 101.0089 4.598556 98.90513 4.815036 2.103783 
6.658175 
1 1 1 -5  32  18 o 35.34641 5.503378  324.3354       91.72440 533.9224       
126.1406 89.16485       133.6178 48.31855 6.218165 22.37427 9.082021 25.94428 
11.00676 
1 1 1 -5  32  19 o 99.86844 3.456172  2213.900       144.8669 2235.589       
203.0911 2191.433       206.7020 100.4453 4.815953 99.29153 4.958537 1.153801 
6.912344 
1 1 1 -5  32  20 o 69.05591 3.718016  1049.409       106.4612 854.3126       
140.9097 1308.895       162.5074 61.55202 5.452800 76.55979 5.055841 -15.00777 
7.436031 
1 1 1 -5  32  21 o 40.09078 5.713958  402.0590       94.34933 470.7406       
133.4279 333.3729       133.4323 44.48764 7.143787 35.69392 8.919842 8.793720 
11.42792 
1 1 1 -5  32  22 o 21.00565 6.045000  79.62820       83.95647 62.18686       
123.0722 94.80940       114.8215 20.42504 8.549716 21.58626 8.548125 -1.161217 
12.09000 
1 1 1 -5  32  23 o 18.44505 5.842522  2.396549       91.02102 -10.77930      
148.8855 10.25991       115.0183 19.04095 8.635174 17.84915 7.872357 1.191799 
11.68504 
1 1 1 -5  32  24 o 100.6954 5.738071  2438.250       218.9938 2253.987       
256.9433 2927.519       418.6888 97.66051 6.266706 103.7302 9.614065 -6.069702 
11.47614 
1 1 1 -5  32  25 o 36.70020 5.777885  285.9557       94.53439 690.4115       
170.5605 106.6119       113.5759 51.91813 7.824931 21.48227 8.503310 30.43586 
11.55577 
1 1 1 -5  32  26 o 50.47903 5.344935  526.7949       98.83936 1145.521       
190.6890 299.4999       115.5770 68.06699 6.672832 32.89108 8.351445 35.17591 
10.68987 
1 1 1 -5  32  27 o 22.21647 6.430632  117.1909       91.73806 175.8357       
154.8559 85.48104       113.8702 24.42183 9.832880 20.01111 8.290151 4.410725 
12.86126 
1 1 1 -5  33  1  o 39.47997 6.609545  398.7986       96.85559 577.6716       
194.7757 340.0377       111.6366 42.96168 10.80169 35.99826 7.620232 6.963417 
13.21909 
1 1 1 -5  33  2  o 58.23877 5.473253  818.4869       116.0200 954.8785       
233.3131 773.6804       133.7260 58.79737 9.451536 57.68017 5.522180 1.117199 
10.94651 
1 1 1 -5  33  3  o 23.02773 6.509364  120.5263       89.25093 120.3831       
170.6451 120.5802       104.7153 23.72231 10.00499 22.33316 8.329909 1.389153 
13.01873 
1 1 1 -5  33  4  o 26.60437 6.503919  199.5590       99.46036 13.85994       
195.1567 264.7153       115.5997 21.62021 9.828938 31.58852 8.520317 -9.968304 
13.00784 
1 1 1 -5  33  5  o 46.43231 5.436921  496.4580       100.0143 682.5751       
173.4404 403.7379       122.4177 52.54440 7.862216 40.32022 7.511724 12.22417 
10.87384 
1 1 1 -5  33  6  o 34.49825 6.842840  297.5183       97.14553 426.7322       
176.5767 241.4324       116.3337 38.69960 10.57173 30.29689 8.691170 8.402704 
13.68568 
1 1 1 -5  33  7  o 72.38099 4.270310  1148.021       120.1329 1370.318       
222.1933 1056.196       142.8052 76.03651 6.960332 68.72547 4.949340 7.311035 
8.540620 
1 1 1 -5  33  8  o 20.37965 6.099977  57.74353       85.92727 -5.789364      
167.3313 80.49714       100.1390 20.37112 9.200750 20.38818 8.011560 
-0.1705170E-01 12.19995 
1 1 1 -5  33  9  o 21.86140 6.264478  55.11104       88.47153 182.4027       
151.1707 -11.19942      109.1085 26.82601 10.00794 16.89679 7.537633 9.929222 
12.52896 
1 1 1 -5  33  10 o 59.14227 3.812446  789.2809       94.34994 768.1255       
137.7990 807.9514       129.4536 58.20561 5.639004 60.07894 5.132310 -1.873325 
7.624892 
1 1 1 -5  33  11 o 19.50152 5.566829  53.57216       73.25060 -2.328791      
104.7264 107.1149       102.4936 16.95233 7.489800 22.05072 8.237792 -5.098391 
11.13366 
1 1 1 -5  33  12 o 56.78151 4.000659  725.4464       95.02378 798.5813       
141.7896 665.8180       128.0293 59.33555 5.691812 54.22747 5.623556 5.108082 
8.001319 
1 1 1 -5  33  13 o 50.52350 4.201475  585.2881       88.64582 537.8094       
127.8015 629.3099       123.0611 48.28353 6.304608 52.76347 5.555312 -4.479939 
8.402950 
1 1 1 -5  33  14 o 53.20185 4.033463  661.9401       85.77554 456.3293       
123.4807 853.6717       119.2403 44.23842 6.648453 62.16528 4.568737 -17.92686 
8.066925 
1 1 1 -5  33  15 o 57.89118 3.972832  739.8097       95.26212 900.9144       
150.0045 630.9201       123.3228 62.99247 5.672009 52.78989 5.564341 10.20257 
7.945664 
1 1 1 -5  33  16 o 21.97136 5.868687  79.81110       76.94822 187.4277       
122.6791 10.01254       98.79940 26.96342 9.113857 16.97930 7.396185 9.984119 
11.73737 
1 1 1 -5  33  17 o 56.08176 4.249522  723.3539       99.97948 736.1432       
139.6861 709.9200       143.1626 56.70411 5.867590 55.45941 6.148589 1.244698 
8.499044 
1 1 1 -5  33  18 o 55.26019 4.241394  696.2839       97.72675 596.6692       
131.6784 818.4318       145.8129 50.75355 6.179727 59.76682 5.811080 -9.013268 
8.482787 
1 1 1 -5  33  19 o 20.68013 5.962485  59.38183       85.98696 -18.06328      
120.1344 140.7356       123.1287 17.25966 7.795660 24.10059 9.024002 -6.840935 
11.92497 
1 1 1 -5  33  20 o 22.88856 6.065518  89.12589       91.60016 -56.37955      
130.5195 230.3535       128.5865 16.73922 7.764174 29.03790 9.320926 -12.29868 
12.13104 
1 1 1 -5  33  21 o 33.70198 5.448315  275.1816       94.19460 555.9698       
139.0644 37.14824       128.0400 48.00796 6.899599 19.39601 8.433984 28.61195 
10.89663 
1 1 1 -5  33  22 o 24.02990 6.377548  135.7542       90.20160 225.7780       
135.6682 64.43025       120.7583 28.10428 9.584199 19.95552 8.416390 8.148756 
12.75510 
1 1 1 -5  33  23 o 18.96992 5.931239  25.14483       92.02471 77.22582       
142.8516 -11.80013      120.3159 20.95932 9.007459 16.98051 7.719072 3.978813 
11.86248 
1 1 1 -5  33  24 o 35.84788 5.812088  310.7974       98.78126 658.5971       
162.1913 105.7163       124.5448 50.35456 7.672019 21.34120 8.732789 29.01337 
11.62418 
1 1 1 -5  33  25 o 37.62825 5.733115  329.9476       100.7202 769.7548       
171.6393 98.95931       124.3886 54.37978 7.517963 20.87672 8.657635 33.50306 
11.46623 
1 1 1 -5  34  3  o 27.37501 6.559662  234.4241       94.10599 163.5316       
158.8345 272.7701       116.8167 23.97612 9.844966 30.77390 8.671407 -6.797775 
13.11932 
1 1 1 -5  34  4  o 36.82731 6.393486  427.5386       99.36971 300.6184       
188.1238 476.6546       117.0279 29.44212 11.12462 44.21250 6.304717 -14.77038 
12.78697 
1 1 1 -5  34  5  o 42.30141 6.215979  482.0808       101.4857 521.0505       
181.2850 464.2939       122.4757 41.19929 10.45845 43.40353 6.721187 -2.204235 
12.43196 
1 1 1 -5  34  6  o 33.35699 6.820219  328.4259       98.41637 321.2422       
176.8174 331.6505       118.4624 31.49612 10.92727 35.21786 8.164334 -3.721743 
13.64044 
1 1 1 -5  34  7  o 24.87476 6.765022  138.6893       95.09763 263.8254       
168.6207 80.32354       115.1592 29.34698 10.62164 20.40255 8.381099 8.944437 
13.53004 
1 1 1 -5  34  8  o 39.25766 6.724574  424.8787       107.8293 462.3821       
172.0084 400.5988       138.4001 39.88864 10.22412 38.62668 8.737667 1.261963 
13.44915 
1 1 1 -5  34  9  o 34.73072 6.570551  326.7859       97.62617 405.5372       
149.7453 268.5697       128.7496 38.33128 9.370846 31.13015 9.212808 7.201126 
13.14110 
1 1 1 -5  34  10 o 26.79021 6.217616  191.1533       86.36478 106.3311       
127.3387 263.4076       117.5269 22.23557 8.931490 31.34484 8.652369 -9.109262 
12.43523 
1 1 1 -5  34  11 o 25.74709 5.947927  163.3585       82.69620 54.72473       
117.6989 269.2708       116.2153 19.65090 8.299529 31.84328 8.522274 -12.19238 
11.89585 
1 1 1 -5  34  12 o 34.17702 6.047732  306.0778       87.59425 384.8286       
129.1627 239.0168       119.1912 38.58797 8.217382 29.76606 8.875522 8.821915 
12.09546 
1 1 1 -5  34  13 o 61.30703 3.735630  855.2952       96.07207 811.8047       
134.8327 900.1453       136.9243 59.63064 5.385757 62.98341 5.178160 -3.352768 
7.471259 
1 1 1 -5  34  14 o 38.04517 5.691695  369.3127       87.53920 394.4553       
132.8280 350.0073       116.3921 38.92359 8.368531 37.16676 7.716816 1.756824 
11.38339 
1 1 1 -5  34  15 o 50.53742 4.368330  622.8095       87.49007 481.0343       
135.9643 722.9982       114.2967 44.36649 7.299462 56.70834 4.800737 -12.34185 
8.736660 
1 1 1 -5  34  16 o 44.80469 5.380991  489.8135       98.02504 598.5953       
152.5452 413.2990       127.9359 49.35271 7.362215 40.25666 7.849716 9.096054 
10.76198 
1 1 1 -5  34  17 o 21.63791 6.243098  90.57212       91.41439 141.0215       
130.4726 41.92680       128.1185 23.78400 9.187482 19.49182 8.455486 4.292187 
12.48620 
1 1 1 -5  34  18 o 24.52797 6.747107  156.2521       100.5666 180.6811       
139.6525 129.9383       144.9401 25.67188 9.610826 23.38407 9.472372 2.287806 
13.49421 
1 1 1 -5  34  19 o 39.06758 5.890571  408.0021       93.70097 407.7831       
131.1634 408.2305       133.9055 39.15514 8.238682 38.98002 8.421367 0.1751213 
11.78114 
1 1 1 -5  34  20 o 57.57892 4.609344  807.6827       111.0582 799.0191       
151.0439 817.8786       163.8575 57.56696 6.249582 57.59089 6.776941 
-0.2392960E-01 9.218687 
1 1 1 -5  34  21 o 17.26022 5.507397  -9.226085      86.81500 53.36016       
123.7300 -69.91658      121.8417 19.19244 8.317276 15.32799 7.221399 3.864446 
11.01479 
1 1 1 -5  34  22 o 27.87162 6.727882  243.9077       98.11775 181.9870       
156.2487 284.2223       126.0754 24.74794 9.913089 30.99530 9.098805 -6.247364 
13.45576 
1 1 1 -5  34  23 o 21.65934 6.420440  106.4794       96.30309 151.0034       
153.5911 77.63541       123.6222 23.38837 9.654944 19.93031 8.465827 3.458061 
12.84088 
1 1 1 -5  35  7  o 19.61626 6.051621  56.94620       96.90495 -30.80044      
162.0764 105.7661       120.8935 18.16715 8.507079 21.06536 8.609187 -2.898209 
12.10324 
1 1 1 -5  35  8  o 16.09198 5.360926  -115.3238      104.3157 -385.9155      
174.7481 34.48502       130.0241 13.54982 6.818188 18.63413 8.274686 -5.084314 
10.72185 
1 1 1 -5  35  9  o 28.50926 7.131557  261.8628       108.1847 225.0728       
159.7021 293.0630       147.0699 26.59859 10.19116 30.41993 9.978809 -3.821342 
14.26311 
1 1 1 -5  35  10 o 57.21575 5.168305  837.7697       124.1228 817.7351       
174.8566 858.1187       176.2237 56.42400 7.381408 58.00751 7.236044 -1.583511 
10.33661 
1 1 1 -5  35  11 o 23.19201 6.360071  145.3495       88.39722 151.0141       
119.6764 138.5485       131.1327 23.46891 8.871391 22.91511 9.115944 0.5538025 
12.72014 
1 1 1 -5  35  12 o 26.68781 5.841902  151.8262       85.64007 383.1306       
136.8714 3.009964       109.7857 36.66899 8.955576 16.70663 7.503927 19.96236 
11.68380 
1 1 1 -5  35  13 o 23.85590 5.719069  137.1081       84.32072 -28.73281      
126.6031 269.3213       113.0410 16.69532 7.706557 31.01648 8.452219 -14.32116 
11.43814 
1 1 1 -5  35  14 o 20.72625 5.977597  74.08147       83.17987 174.9842       
132.6413 8.681358       106.7866 24.71409 9.340305 16.73841 7.462263 7.975681 
11.95519 
1 1 1 -5  35  15 o 23.83401 6.572638  151.7838       99.69437 73.88620       
144.7143 222.1466       137.5376 20.62283 8.966881 27.04520 9.612144 -6.422365 
13.14528 
1 1 1 -5  35  16 o 23.67648 6.344669  152.5482       86.57259 190.6083       
129.8896 122.1261       116.1273 25.45097 9.311377 21.90199 8.620763 3.548983 
12.68934 
1 1 1 -5  35  17 o 55.14559 4.760048  761.2300       109.2297 730.6989       
162.3984 786.4526       147.6070 53.44965 7.236990 56.84153 6.185322 -3.391876 
9.520097 
1 1 1 -5  35  18 o 78.29286 3.713726  1444.417       121.1458 1329.525       
176.6768 1546.374       166.4336 74.72473 5.631657 81.86100 4.842672 -7.136269 
7.427452 
1 1 1 -5  35  19 o 18.70759 5.802375  36.73155       88.77347 -11.46343      
122.1871 90.61345       129.1951 16.80223 7.679723 20.61296 8.700120 -3.810732 
11.60475 
1 1 1 -4  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -31 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -29 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -26 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -20 22 o 29.23661 5.682491  226.3162       84.54623 66.19202       
123.8116 366.2188       115.7300 20.32591 8.544925 38.14730 7.493137 -17.82140 
11.36498 
1 1 1 -4  -20 23 o 26.95791 5.752010  188.7558       64.41633 232.7561       
127.7600 173.7574       74.59148 27.93369 9.300673 25.98213 6.770522 1.951563 
11.50402 
1 1 1 -4  -19 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -19 19 o 48.22578 3.620965  484.3990       71.41575 668.3287       
115.6982 371.1845       90.77198 55.31709 4.981822 41.13447 5.256141 14.18262 
7.241931 
1 1 1 -4  -19 20 o 25.15500 5.186463  152.8017       54.49903 128.3390       
109.8469 160.7894       62.76922 23.94422 8.582146 26.36579 5.826180 -2.421562 
10.37293 
1 1 1 -4  -19 21 o 28.12861 5.248125  168.2627       56.74161 259.7039       
113.4837 137.7826       65.51948 32.15706 8.337853 24.10015 6.375850 8.056910 
10.49625 
1 1 1 -4  -19 22 o 27.34806 5.300485  194.5580       58.77242 150.0116       
122.1934 207.9649       67.03576 24.78114 9.034723 29.91499 5.545658 -5.133858 
10.60097 
1 1 1 -4  -19 23 o 17.42280 5.168644  42.55709       60.05699 -29.05268      
129.2241 62.28551       67.82716 17.29072 7.900821 17.55488 6.666075 
-0.2641544     10.33729 
1 1 1 -4  -19 24 o 32.92926 5.379578  313.0773       66.05539 232.8772       
139.8277 336.1170       74.94530 27.50576 9.700281 38.35275 4.654456 -10.84698 
10.75916 
1 1 1 -4  -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -18 17 o 43.24932 5.576704  403.6902       101.2595 403.6902       
101.2595 0.000000       0.000000 43.24932 5.576704 ?        ?        ? ? 
1 1 1 -4  -18 18 o 82.03946 2.771140  1495.458       87.83114 1277.109       
151.8461 1605.243       107.6708 77.05402 4.693851 87.02491 2.946969 -9.970894 
5.542280 
1 1 1 -4  -18 19 o 31.83272 4.595268  200.0803       51.79966 302.8552       
110.5018 171.1358       58.64191 36.03763 7.546591 27.62781 5.245465 8.409824 
9.190536 
1 1 1 -4  -18 20 o 31.78321 4.917387  239.1440       56.93682 217.1451       
115.2632 246.2444       65.48393 29.90186 8.675025 33.66457 4.633219 -3.762705 
9.834774 
1 1 1 -4  -18 21 o 81.40498 3.413555  1371.413       104.4468 1645.812       
205.6006 1275.966       121.2591 85.88710 5.701872 76.92287 3.754740 8.964226 
6.827109 
1 1 1 -4  -18 22 o 57.69568 3.739644  758.9973       79.26020 705.5706       
151.2158 779.2358       93.06947 55.38444 6.503248 60.00692 3.694255 -4.622482 
7.479289 
1 1 1 -4  -18 23 o 62.70653 3.564751  772.4200       83.79728 1144.143       
171.4595 655.7688       96.04982 70.77422 5.770422 54.63883 4.187128 16.13540 
7.129502 
1 1 1 -4  -18 24 o 22.48646 5.616664  130.3388       70.49143 20.31319       
140.1010 167.6341       81.56837 19.30893 8.579958 25.66398 7.250653 -6.355051 
11.23333 
1 1 1 -4  -18 25 o 34.19652 6.196884  296.9002       79.34826 427.4326       
163.1207 256.4392       90.81714 36.97036 10.18826 31.42267 7.057250 5.547686 
12.39377 
1 1 1 -4  -17 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -17 16 o 38.86069 2.646405  330.0499       39.96283 290.9589       
69.14960 349.6532       48.96838 37.00945 4.450391 40.71194 2.864936 -3.702499 
5.292810 
1 1 1 -4  -17 17 o 33.29268 3.460691  246.6926       45.60717 202.7267       
69.38399 280.1400       60.51783 30.26164 5.670751 36.32371 3.968389 -6.062065 
6.921382 
1 1 1 -4  -17 18 o 103.8251 3.137716  2317.745       134.9834 2201.941       
205.1954 2406.087       179.2209 101.3603 4.821930 106.2900 4.016220 -4.929672 
6.275431 
1 1 1 -4  -17 19 o 57.80129 3.242357  712.9203       73.70235 732.3050       
129.8094 703.6985       89.53316 58.14703 5.317406 57.45555 3.711701 0.6914825 
6.484715 
1 1 1 -4  -17 20 o 48.59595 3.929731  539.1080       68.78348 469.9437       
133.1627 564.2772       80.32967 45.83214 6.920439 51.35977 3.725409 -5.527630 
7.859462 
1 1 1 -4  -17 21 o 86.11266 3.538479  1646.008       125.6850 1414.858       
186.3630 1838.854       170.2224 80.09228 5.542302 92.13303 4.400707 -12.04076 
7.076958 
1 1 1 -4  -17 22 o 24.80189 5.564227  155.3077       67.34601 55.60596       
133.7297 189.1848       77.95235 21.29825 8.913527 28.30552 6.662696 -7.007277 
11.12845 
1 1 1 -4  -17 23 o 54.02722 4.399316  675.0088       88.06340 646.2169       
166.4952 686.1924       103.7665 52.12251 7.608472 55.93192 4.418944 -3.809410 
8.798632 
1 1 1 -4  -17 24 o 47.50618 5.175515  535.2614       91.72388 572.1035       
167.6777 519.5292       109.5713 47.14469 8.798683 47.86768 5.452246 
-0.7229881     10.35103 
1 1 1 -4  -17 25 o 27.17617 6.188259  198.2856       73.96889 194.7903       
158.6337 199.2567       83.61531 26.33548 10.13939 28.01685 7.097252 -1.681364 
12.37652 
1 1 1 -4  -17 26 o 16.03621 5.427513  -74.52615      85.71700 -14.88283      
173.0187 -93.92683      98.67804 19.00609 8.863118 13.06633 6.267115 5.939757 
10.85503 
1 1 1 -4  -16 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -16 14 o 99.43281 3.153998  2082.123       131.6649 2082.123       
131.6649 0.000000       0.000000 99.43281 3.153998 ?        ?        ? ? 
1 1 1 -4  -16 15 o 85.76482 1.955103  1547.240       68.00336 1555.142       
111.8034 1542.601       85.67323 85.90432 3.099995 85.62533 2.383219 0.2789917 
3.910205 
1 1 1 -4  -16 16 o 40.12978 2.642522  337.5060       41.27934 348.2686       
74.32391 332.7052       49.63937 40.53707 4.367141 39.72248 2.976535 0.8145828 
5.285043 
1 1 1 -4  -16 17 f 30.97853 3.244799  202.0992       40.31223 210.4623       
68.52892 197.6740       49.84953 31.40914 5.196836 30.54792 3.886874 0.8612175 
6.489599 
1 1 1 -4  -16 18 o 19.43327 4.053082  87.58345       39.05203 10.59482       
69.96320 122.4261       47.06652 15.35382 6.437551 23.51271 4.926238 -8.158897 
8.106163 
1 1 1 -4  -16 19 o 67.97983 3.264223  989.1409       87.10815 988.2478       
152.9494 989.5694       105.9741 67.72513 5.379215 68.23452 3.699277 
-0.5093918     6.528446 
1 1 1 -4  -16 20 o 34.64584 5.029058  269.4547       65.37872 275.1685       
123.1882 267.2142       77.13888 34.15638 8.591812 35.13531 5.229384 
-0.9789314     10.05812 
1 1 1 -4  -16 21 o 30.97662 5.285385  247.6909       68.23885 132.6419       
126.0077 295.4328       81.17183 25.14006 9.173760 36.81319 5.251979 -11.67313 
10.57077 
1 1 1 -4  -16 22 o 69.75280 3.533173  1075.831       98.62822 1022.286       
163.9489 1106.198       123.4684 67.92214 5.749342 71.58346 4.108321 -3.661316 
7.066345 
1 1 1 -4  -16 23 o 21.08804 5.949063  52.58512       70.88946 148.4416       
141.5744 20.50968       81.89556 25.71068 9.666567 16.46539 6.937068 9.245285 
11.89813 
1 1 1 -4  -16 24 o 20.98078 6.001663  71.70050       74.77274 96.38777       
143.5444 62.50741       87.59529 23.01801 9.389815 18.94355 7.477379 4.074463 
12.00333 
1 1 1 -4  -16 25 o 19.31164 6.016325  6.730952       77.45136 106.7000       
170.4645 -19.27514      86.94382 23.79670 10.01626 14.82659 6.667779 8.970115 
12.03265 
1 1 1 -4  -16 26 o 48.02881 4.408311  517.6687       88.89002 0.000000       
0.000000 517.6687       88.89002 ?        ?        48.02881 4.408311 ? ? 
1 1 1 -4  -16 27 f 16.38636 5.269804  5.875940       72.26061 -168.7022      
180.0236 39.40595       78.89532 16.44202 8.017612 16.33071 6.841143 0.1113071 
10.53961 
1 1 1 -4  -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -15 13 o 24.33984 3.304154  145.4221       30.61750 79.19186       
51.35383 181.9481       38.13692 19.27666 5.841688 29.40302 3.089405 -10.12635 
6.608308 
1 1 1 -4  -15 14 o 25.78342 3.386441  149.0541       33.50072 126.1095       
57.27482 160.9862       41.30297 23.92290 5.762546 27.64395 3.558790 -3.721052 
6.772882 
1 1 1 -4  -15 15 o 98.69841 2.234059  2063.245       88.17719 2012.250       
148.5175 2091.007       109.5812 97.70157 3.620738 99.69524 2.618078 -1.993675 
4.468117 
1 1 1 -4  -15 16 o 132.3885 2.630142  3745.359       143.2516 3444.910       
220.8687 3963.515       188.2056 127.6651 4.120814 137.1119 3.269477 -9.446831 
5.260284 
1 1 1 -4  -15 17 o 100.5541 2.321081  2156.619       95.93958 2013.994       
149.0385 2257.539       125.3689 97.62315 3.636359 103.4851 2.885579 -5.861954 
4.642163 
1 1 1 -4  -15 18 o 114.3318 2.394335  2780.094       105.6327 2719.607       
190.6390 2806.893       126.8936 113.2696 4.008847 115.3939 2.619255 -2.124313 
4.788669 
1 1 1 -4  -15 19 o 53.90276 2.482502  619.8396       54.45926 597.1237       
87.73083 634.0803       69.46286 53.03024 3.940485 54.77528 3.020571 -1.745037 
4.965005 
1 1 1 -4  -15 20 o 35.37896 4.220817  282.7736       58.56007 165.2845       
81.07923 410.9007       84.67033 26.94521 7.076192 43.81271 4.603119 -16.86751 
8.441634 
1 1 1 -4  -15 21 o 79.25595 3.420115  1370.222       110.2058 1286.837       
176.3600 1423.643       141.1607 76.96629 5.457837 81.54562 4.123198 -4.579330 
6.840230 
1 1 1 -4  -15 22 f 24.04762 6.091910  105.5985       70.96287 177.8147       
138.0933 79.68575       82.72038 27.84343 9.657152 20.25182 7.428654 7.591614 
12.18382 
1 1 1 -4  -15 23 o 65.93700 4.049162  970.2470       100.2503 948.8027       
187.8499 978.7866       118.5425 64.60616 6.925612 67.26784 4.197469 -2.661674 
8.098324 
1 1 1 -4  -15 24 o 49.51807 5.044657  585.6225       79.69968 547.0893       
174.3298 595.8046       89.61310 46.64627 9.230109 52.38987 4.074227 -5.743603 
10.08931 
1 1 1 -4  -15 25 o 28.89261 9.969779  220.0728       147.0180 0.000000       
0.000000 220.0728       147.0180 ?        ?        28.89261 9.969779 ? ? 
1 1 1 -4  -15 26 o 48.21806 5.644267  605.3073       88.03848 528.2451       
186.0704 627.5352       99.93198 43.27801 10.36248 53.15811 4.477711 -9.880096 
11.28853 
1 1 1 -4  -15 27 o 26.50924 6.585549  125.0827       71.97993 388.5463       
181.2105 75.72536       78.43304 34.39190 11.06760 18.62659 7.140445 15.76531 
13.17110 
1 1 1 -4  -14 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 12 o 61.57307 2.004644  810.5134       50.06524 743.8231       
80.23540 853.0350       64.06785 59.44674 3.214838 63.69941 2.395663 -4.252666 
4.009287 
1 1 1 -4  -14 13 o 81.77631 2.062320  1423.825       69.31490 1317.259       
107.4329 1499.820       90.72393 79.10178 3.234983 84.45084 2.558815 -5.349068 
4.124640 
1 1 1 -4  -14 14 o 141.4730 2.456719  4075.998       127.4257 4502.169       
257.5344 3937.840       146.6328 146.1026 4.198541 136.8434 2.552279 9.259171 
4.913438 
1 1 1 -4  -14 15 o 98.60645 2.134921  1990.863       86.63358 1785.906       
110.0739 2324.483       140.4360 92.13234 2.845727 105.0806 3.183297 -12.94821 
4.269841 
1 1 1 -4  -14 16 o 144.0276 2.797075  4376.959       152.1788 4375.876       
286.4228 4377.385       179.6301 143.8560 4.742428 144.1993 2.967134 
-0.3432770     5.594149 
1 1 1 -4  -14 17 o 46.42685 2.637583  442.3332       48.15487 491.1854       
86.47439 420.3745       57.97596 48.19149 4.274036 44.66221 3.091923 3.529282 
5.275166 
1 1 1 -4  -14 18 o 53.20486 2.413965  592.9753       52.25210 617.1219       
85.92390 578.8055       65.82156 54.02060 3.788573 52.38913 2.992596 1.631470 
4.827931 
1 1 1 -4  -14 19 o 63.94389 2.476521  865.7304       62.74116 862.1711       
108.2619 867.5304       76.98775 63.76424 4.044077 64.12354 2.859731 
-0.3592911     4.953042 
1 1 1 -4  -14 20 o 89.04414 2.545417  1655.531       88.01695 1747.592       
159.9755 1615.565       105.4045 90.63434 4.204185 87.45396 2.870787 3.180382 
5.090834 
1 1 1 -4  -14 21 o 65.94113 2.491655  904.8414       67.49892 1013.176       
109.5145 838.4755       85.71569 69.00011 3.780443 62.88216 3.246788 6.117958 
4.983310 
1 1 1 -4  -14 22 o 58.89171 3.936563  783.6924       89.31525 676.3841       
155.1130 836.9181       109.2428 55.29255 6.681940 62.49087 4.163870 -7.198322 
7.873127 
1 1 1 -4  -14 23 o 113.4062 4.204547  2839.937       199.9783 2669.859       
279.6414 3017.952       286.0931 109.8184 6.065233 116.9939 5.824587 -7.175529 
8.409095 
1 1 1 -4  -14 24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -14 25 o 71.86514 4.069249  1122.093       107.8631 1244.216       
214.1144 1080.561       124.8645 73.30722 6.956970 70.42305 4.223234 2.884171 
8.138497 
1 1 1 -4  -14 26 o 22.71444 6.208464  111.9728       81.94761 68.31188       
153.4441 129.3945       96.92784 22.14762 9.420464 23.28125 8.089188 -1.133633 
12.41693 
1 1 1 -4  -14 27 o 25.05012 6.202703  167.8582       80.80119 88.52913       
164.4234 193.1152       92.77661 22.68594 9.703599 27.41431 7.728793 -4.728374 
12.40541 
1 1 1 -4  -14 28 o 19.15434 5.952344  49.05199       82.73000 26.47579       
175.3394 55.51724       93.83108 20.27513 9.243876 18.03356 7.501491 2.241570 
11.90469 
1 1 1 -4  -13 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -13 11 o 141.8954 1.776667  4222.902       103.8464 4275.725       
163.9901 4187.540       134.1773 142.6190 2.738806 141.1718 2.263873 1.447189 
3.553334 
1 1 1 -4  -13 12 o 64.51526 1.887116  881.8282       48.69208 852.7241       
81.82207 897.7867       60.58838 63.66852 3.061024 65.36199 2.207929 -1.693470 
3.774231 
1 1 1 -4  -13 13 o 146.9480 2.194091  4561.782       125.8431 4496.229       
223.0403 4592.396       152.4213 146.1024 3.636195 147.7937 2.456465 -1.691345 
4.388182 
1 1 1 -4  -13 14 o 138.1837 2.604719  4022.945       139.5614 4024.190       
251.2522 4022.390       167.8346 138.1004 4.333472 138.2670 2.891240 
-0.1665802     5.209439 
1 1 1 -4  -13 15 o 280.8665 5.093638  16636.67       543.9120 17158.05       
1019.381 16429.15       643.1079 283.1063 8.576462 278.6266 5.497717 4.479767 
10.18728 
1 1 1 -4  -13 16 o 89.55391 2.280904  1706.214       79.46058 1640.724       
140.7827 1736.831       96.25893 88.22864 3.800676 90.87919 2.522886 -2.650551 
4.561808 
1 1 1 -4  -13 17 o 101.0465 2.462202  2166.985       95.46309 2114.623       
173.9597 2189.549       114.1935 100.0833 4.140073 102.0097 2.666373 -1.926437 
4.924404 
1 1 1 -4  -13 18 o 90.64029 2.189628  1735.401       83.08450 1671.693       
120.8079 1792.577       114.4483 89.04205 3.231627 92.23853 2.955413 -3.196480 
4.379256 
1 1 1 -4  -13 19 o 35.25610 3.614569  272.8742       48.96046 253.7300       
83.23885 283.0011       60.54060 33.94555 6.058812 36.56665 3.943506 -2.621101 
7.229138 
1 1 1 -4  -13 20 o 59.09514 2.616322  734.4057       63.01078 760.5095       
103.0260 718.8065       79.64289 59.87010 4.098811 58.32019 3.252739 1.549911 
5.232644 
1 1 1 -4  -13 21 o 111.4222 2.673260  2698.563       120.5322 2368.640       
191.2613 2915.909       155.2379 105.4466 4.320316 117.3978 3.149625 -11.95120 
5.346519 
1 1 1 -4  -13 22 o 103.0306 2.632288  2268.609       113.3589 2066.154       
162.4035 2460.968       158.3025 98.44869 3.929220 107.6125 3.503855 -9.163818 
5.264577 
1 1 1 -4  -13 23 o 114.3979 7.667069  2950.638       368.2362 2950.638       
368.2362 0.000000       0.000000 114.3979 7.667069 ?        ?        ? ? 
1 1 1 -4  -13 24 o 53.85648 4.351068  644.0903       95.63828 646.6138       
154.0973 642.5093       121.9722 53.58495 6.849725 54.12802 5.367348 
-0.5430717     8.702135 
1 1 1 -4  -13 25 o 17.33878 5.579803  -35.06838      82.45279 -52.65604      
152.5407 -27.80867      98.00351 18.90867 8.621175 15.76889 7.086054 3.139781 
11.15961 
1 1 1 -4  -13 26 o 38.99246 6.161589  425.6629       98.31108 246.0113       
172.3446 512.3173       119.6954 30.44026 10.76582 47.54466 5.996485 -17.10440 
12.32318 
1 1 1 -4  -13 27 o 32.66541 6.653762  287.7103       93.62807 274.9932       
165.8920 293.6548       113.4188 31.26226 10.59814 34.06854 8.047956 -2.806278 
13.30752 
1 1 1 -4  -13 28 o 48.10609 5.468368  507.2271       100.8566 842.5452       
189.2526 374.2211       119.1925 57.89942 7.785541 38.31277 7.680985 19.58665 
10.93674 
1 1 1 -4  -13 29 o 32.43367 7.243237  311.0354       101.1153 421.2659       
197.6339 271.9499       117.6845 34.16500 11.56772 30.70235 8.720429 3.462648 
14.48647 
1 1 1 -4  -12 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -12 10 o 192.3571 2.495357  7795.721       197.0402 7700.414       
312.4373 7858.659       253.8971 191.3467 3.889223 193.3675 3.127485 -2.020813 
4.990713 
1 1 1 -4  -12 11 o 52.43903 1.929917  547.3817       40.11767 670.3812       
72.13212 492.2954       48.27237 56.47172 3.042417 48.40634 2.375295 8.065384 
3.859835 
1 1 1 -4  -12 12 o 58.11591 2.050672  723.0770       47.37547 668.3713       
79.62400 753.0568       58.94428 56.36751 3.364621 59.86430 2.345281 -3.496792 
4.101344 
1 1 1 -4  -12 13 o 88.62757 2.125336  1644.558       78.88783 1540.641       
107.1222 1767.695       116.6091 85.58414 2.981310 91.67101 3.029853 -6.086868 
4.250672 
1 1 1 -4  -12 14 o 148.0708 2.736203  4695.531       165.8223 4242.963       
258.1236 5013.548       216.3772 141.8235 4.335116 154.3182 3.339761 -12.49474 
5.472406 
1 1 1 -4  -12 15 o 127.8800 2.279312  3366.547       115.9712 3215.030       
141.3741 3678.265       202.7773 123.6304 2.723742 132.1296 3.655447 -8.499214 
4.558625 
1 1 1 -4  -12 16 o 43.62812 2.700743  404.1630       47.63040 389.6373       
78.06015 412.7790       60.11918 42.97468 4.326510 44.28156 3.233785 -1.306881 
5.401487 
1 1 1 -4  -12 17 o 134.8763 2.580227  3835.390       145.5213 3809.370       
215.2735 3857.286       197.4732 134.4311 3.814274 135.3215 3.475860 
-0.8903809     5.160454 
1 1 1 -4  -12 18 o 36.98457 3.342417  281.0779       50.56008 325.4590       
83.51019 255.3962       63.52614 39.20186 5.074040 34.76729 4.352139 4.434574 
6.684833 
1 1 1 -4  -12 19 o 82.33463 2.549818  1457.961       85.99798 1287.471       
132.4289 1582.287       113.0874 78.03412 4.042214 86.63514 3.109147 -8.601021 
5.099637 
1 1 1 -4  -12 20 o 90.29442 2.390342  1723.196       90.48353 1609.174       
127.4502 1839.071       128.4821 87.26446 3.478758 93.32437 3.279206 -6.059914 
4.780685 
1 1 1 -4  -12 21 o 54.17446 2.784271  611.2532       61.49062 668.4437       
101.5880 578.1838       77.24934 56.08269 4.314544 52.26623 3.520422 3.816460 
5.568542 
1 1 1 -4  -12 22 o 24.25329 5.437735  103.7084       63.20904 210.9690       
107.7920 47.49612       78.03365 30.33009 8.248521 18.17650 7.087859 12.15359 
10.87547 
1 1 1 -4  -12 23 o 34.94857 10.27167  292.9814       160.5795 0.000000       
0.000000 292.9814       160.5795 ?        ?        34.94857 10.27167 ? ? 
1 1 1 -4  -12 24 o 88.60543 3.493929  1690.365       129.3996 1588.674       
173.3647 1818.286       194.4409 85.68394 4.819281 91.52692 5.060108 -5.842987 
6.987858 
1 1 1 -4  -12 25 o 19.00268 5.781431  19.66629       80.01795 -22.60330      
144.5755 38.33262       96.07494 19.44030 8.674359 18.56507 7.645604 0.8752346 
11.56286 
1 1 1 -4  -12 26 o 33.60729 6.345783  283.5476       86.38660 277.6667       
159.9478 285.9696       102.6450 32.58725 10.38913 34.62733 7.289846 -2.040085 
12.69157 
1 1 1 -4  -12 27 o 35.55560 6.137206  265.8593       87.02931 515.6089       
164.5742 168.9052       102.5398 45.01728 9.025944 26.09391 8.318263 18.92338 
12.27441 
1 1 1 -4  -12 28 o 64.86694 4.713989  988.9841       117.6796 993.7325       
211.5208 986.8556       141.6209 63.50165 7.933944 66.23222 5.093062 -2.730572 
9.427978 
1 1 1 -4  -12 29 o 40.80198 6.208354  430.4527       99.13569 546.8152       
171.2518 371.8046       121.5782 43.96738 9.545073 37.63657 7.941427 6.330818 
12.41671 
1 1 1 -4  -12 30 o 17.64975 5.882578  -37.91923      98.37860 11.71595       
192.5691 -55.44871      114.4396 20.19353 9.391144 15.10597 7.086984 5.087564 
11.76516 
1 1 1 -4  -11 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -11 8  o 59.98203 2.669747  755.6631       67.23109 0.000000       
0.000000 755.6631       67.23109 ?        ?        59.98203 2.669747 ? ? 
1 1 1 -4  -11 9  o 216.2561 2.826254  9827.802       256.5513 9569.567       
359.4612 10095.91       366.2713 213.3603 4.012910 219.1518 3.980878 -5.791534 
5.652507 
1 1 1 -4  -11 10 o 324.0884 4.807935  22134.91       652.8051 22441.16       
957.6336 21869.05       892.2427 326.1359 6.993939 322.0410 6.599225 4.094910 
9.615870 
1 1 1 -4  -11 11 o 253.8908 3.499159  13592.87       372.4147 13050.23       
534.2890 14105.65       519.3754 248.9291 5.112362 258.8525 4.779143 -9.923401 
6.998318 
1 1 1 -4  -11 12 o 73.39474 1.983666  1155.821       57.09103 1064.129       
98.48461 1202.229       70.06464 71.13970 3.297444 75.64978 2.206034 -4.510078 
3.967332 
1 1 1 -4  -11 13 o 140.5054 2.602630  4037.794       119.7982 4343.660       
281.6128 3970.213       132.3729 143.5535 4.672610 137.4573 2.293783 6.096237 
5.205260 
1 1 1 -4  -11 14 o 22.01270 3.935296  101.9119       35.37814 126.0906       
59.12196 88.42484       44.15628 23.93983 5.910151 20.08557 5.197724 3.854261 
7.870592 
1 1 1 -4  -11 15 o 72.83090 2.230880  1123.992       67.35001 1064.038       
102.2108 1169.999       89.53712 71.08571 3.424803 74.57610 2.859727 -3.490387 
4.461761 
1 1 1 -4  -11 16 o 15.52884 4.234032  28.35321       37.17819 53.59616       
65.30385 16.24817       45.22221 17.88190 6.596333 13.17579 5.310037 4.706102 
8.468063 
1 1 1 -4  -11 17 o 124.6084 2.857919  3290.223       145.4548 3201.368       
232.8804 3347.059       186.2530 123.1558 4.504006 126.0610 3.519196 -2.905220 
5.715838 
1 1 1 -4  -11 18 o 35.30410 3.664161  270.3213       49.49091 259.2181       
85.64940 275.8867       60.63902 34.43978 6.144674 36.16842 3.993407 -1.728645 
7.328323 
1 1 1 -4  -11 19 o 48.74542 2.882918  478.2786       56.24472 579.4879       
98.82124 429.7835       68.40514 52.34929 4.496355 45.14155 3.609386 7.207737 
5.765837 
1 1 1 -4  -11 20 o 41.88102 3.225506  354.7349       55.03086 444.2633       
92.56507 305.7941       68.43883 45.75731 4.818453 38.00472 4.289297 7.752594 
6.451012 
1 1 1 -4  -11 21 o 73.17757 2.766978  1159.017       83.03995 917.8845       
121.2164 1372.252       113.9890 65.76402 4.390300 80.59112 3.368966 -14.82710 
5.533956 
1 1 1 -4  -11 22 o 57.02042 5.631694  697.7415       134.8182 697.7415       
134.8182 0.000000       0.000000 57.02042 5.631694 ?        ?        ? ? 
1 1 1 -4  -11 23 o 24.67862 4.869233  152.5567       60.60343 -15.01700      
115.2074 216.6675       71.25948 18.12002 7.938970 31.23721 5.640076 -13.11720 
9.738465 
1 1 1 -4  -11 24 o 81.46532 3.295924  1428.573       107.8253 1423.628       
180.6026 1431.312       134.4090 81.06508 5.306538 81.86556 3.910642 
-0.8004837     6.591848 
1 1 1 -4  -11 25 o 85.51933 3.385211  1586.959       121.3565 1501.547       
172.6182 1670.432       170.6467 83.15160 4.944668 87.88708 4.624809 -4.735481 
6.770422 
1 1 1 -4  -11 26 o 51.60243 4.502072  599.7908       93.17043 590.5413       
155.3074 604.9911       116.4532 50.76903 7.286425 52.43583 5.289862 -1.666794 
9.004145 
1 1 1 -4  -11 27 o 21.55943 6.177393  69.99686       81.92198 110.0653       
145.1990 51.28574       99.22301 23.96468 9.573896 19.15418 7.809048 4.810492 
12.35479 
1 1 1 -4  -11 28 o 22.92037 6.494165  94.05739       91.53144 153.7004       
154.4561 61.77496       113.6340 25.65714 9.978647 20.18360 8.314043 5.473541 
12.98833 
1 1 1 -4  -11 29 o 33.99441 6.643251  309.9286       94.29952 344.9652       
163.3905 292.4293       115.4720 34.46769 10.41488 33.52112 8.249930 0.9465752 
13.28650 
1 1 1 -4  -11 30 o 17.88204 5.881124  -24.24766      100.2419 -50.18698      
186.5459 -13.71675      118.8610 19.02513 8.955091 16.73895 7.626065 2.286175 
11.76225 
1 1 1 -4  -10 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -10 8  o 303.1819 2.229271  19303.47       277.7150 19332.81       
440.7016 19284.14       357.6678 303.3521 3.460339 303.0117 2.811522 0.3403931 
4.458543 
1 1 1 -4  -10 9  o 351.1412 3.350415  26067.39       405.7198 26174.31       
458.3980 25680.79       871.7001 352.9840 3.093205 349.2983 5.944175 3.685699 
6.700831 
1 1 1 -4  -10 10 o 262.4973 2.891105  14465.75       262.8650 14520.87       
564.0603 14450.46       297.0989 262.7073 5.114161 262.2872 2.698019 0.4200745 
5.782210 
1 1 1 -4  -10 11 o 229.8675 3.285024  10984.68       251.8850 10900.44       
280.4891 11335.66       572.5266 227.7732 2.933152 231.9617 5.878958 -4.188583 
6.570048 
1 1 1 -4  -10 12 o 72.01171 1.776310  1090.240       53.42237 1081.455       
79.56397 1097.452       72.08916 71.74431 2.641497 72.27911 2.375627 
-0.5348053     3.552620 
1 1 1 -4  -10 13 o 195.7462 2.685077  8101.456       205.2319 7951.891       
363.0829 8171.680       248.7898 194.3297 4.450283 197.1627 3.005584 -2.832962 
5.370154 
1 1 1 -4  -10 14 o 150.9945 2.353349  4803.006       146.8567 4757.064       
228.2063 4835.480       191.8631 150.3483 3.615348 151.6406 3.013680 -1.292282 
4.706698 
1 1 1 -4  -10 15 o 38.58080 2.393630  311.6045       38.62366 276.3649       
52.68670 352.5436       56.78777 36.23313 3.463508 40.92847 3.304839 -4.695339 
4.787259 
1 1 1 -4  -10 16 o 196.7175 3.044376  8133.208       245.0601 8299.682       
395.1555 8029.169       312.3877 198.2418 4.747815 195.1933 3.811976 3.048553 
6.088753 
1 1 1 -4  -10 17 o 132.8351 2.175596  3764.648       118.8132 4008.674       
156.1944 3429.553       183.0336 138.0536 2.694876 127.6165 3.416214 10.43713 
4.351192 
1 1 1 -4  -10 18 o 98.27811 2.535444  2072.861       97.13517 1929.317       
169.9024 2142.561       118.3919 95.63554 4.231567 100.9207 2.794235 -5.285133 
5.070888 
1 1 1 -4  -10 19 o 158.3096 3.017458  5449.102       175.8890 4954.603       
336.1884 5635.471       206.3896 152.9958 5.233886 163.6235 3.004437 -10.62775 
6.034915 
1 1 1 -4  -10 20 o 38.98542 3.491498  294.2612       54.62514 442.4374       
94.86090 220.7504       66.81492 45.69379 4.944827 32.27705 4.930611 13.41674 
6.982996 
1 1 1 -4  -10 21 f 163.0854 4.312981  5689.816       294.5116 5633.796       
431.3357 5738.742       403.1009 162.2173 6.333434 163.9534 5.856179 -1.736069 
8.625962 
1 1 1 -4  -10 22 o 11.55241 5.507378  -91.99042      73.31639 0.000000       
0.000000 -91.99042      73.31639 ?        ?        11.55241 5.507378 ? ? 
1 1 1 -4  -10 23 o 38.46851 4.800508  310.5832       72.05018 378.6604       
126.7340 278.0722       87.58058 40.99277 7.648358 35.94424 5.803628 5.048527 
9.601015 
1 1 1 -4  -10 24 o 56.83447 3.596323  719.6382       81.35839 604.7811       
131.7889 790.3660       103.4176 52.78551 5.946825 60.88342 4.045914 -8.097908 
7.192645 
1 1 1 -4  -10 25 o 46.58306 4.243135  465.2612       77.61008 505.0924       
138.6276 447.0779       93.66447 47.67864 6.925435 45.48748 4.904605 2.191158 
8.486271 
1 1 1 -4  -10 26 o 58.29291 3.681481  718.9248       83.86297 808.6144       
152.3623 679.9422       100.4480 60.43868 6.004592 56.14714 4.261229 4.291546 
7.362961 
1 1 1 -4  -10 27 o 77.45573 4.260777  1344.068       125.5405 1338.519       
231.1947 1346.388       149.5015 76.29018 7.218223 78.62127 4.529252 -2.331085 
8.521553 
1 1 1 -4  -10 28 o 22.23545 6.405457  32.06906       85.31312 208.4903       
171.6428 -25.81565      98.31777 28.73871 10.67548 15.73220 7.081918 13.00651 
12.81091 
1 1 1 -4  -10 29 o 40.05332 6.363184  440.1591       95.20589 356.3436       
189.7434 468.3611       110.0638 34.80620 11.33444 45.30045 5.787128 -10.49425 
12.72637 
1 1 1 -4  -10 30 o 59.03500 4.918629  869.7530       107.0029 774.8697       
196.9455 909.4919       127.4555 54.56091 8.597765 63.50909 4.780175 -8.948181 
9.837257 
1 1 1 -4  -10 31 o 25.61515 6.963789  162.5544       95.58456 326.3668       
185.9194 103.6996       111.4404 30.38891 11.13793 20.84139 8.362047 9.547516 
13.92758 
1 1 1 -4  -9  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -9  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -9  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -9  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -9  6  o 119.0721 1.102204  2975.717       55.01314 2960.309       
75.61273 2993.047       80.18949 118.7452 1.516701 119.3991 1.599696 
-0.6539230     2.204407 
1 1 1 -4  -9  7  o 297.6751 2.901422  18339.17       344.1318 17761.09       
421.3073 19498.06       596.5250 290.7758 3.451134 304.5744 4.665049 -13.79865 
5.802845 
1 1 1 -4  -9  8  o 39.05287 2.498985  320.2758       40.97278 0.000000       
0.000000 320.2758       40.97278 ?        ?        39.05287 2.498985 ? ? 
1 1 1 -4  -9  9  o 258.9400 2.983985  14152.72       316.1129 14370.27       
405.6354 13816.25       504.4513 261.5215 3.694448 256.3585 4.686974 5.162964 
5.967970 
1 1 1 -4  -9  10 o 178.2295 2.373139  6680.875       160.8565 6690.343       
190.7381 6657.560       299.3319 178.4810 2.545461 177.9781 4.005969 0.5029602 
4.746279 
1 1 1 -4  -9  11 o 227.9574 3.009007  10974.71       281.9352 10680.30       
443.5959 11174.24       365.1797 225.3416 4.688859 230.5731 3.772412 -5.231476 
6.018014 
1 1 1 -4  -9  12 o 401.3070 4.396914  33444.46       623.8476 33024.49       
709.1049 34882.70       1312.248 396.2529 4.262448 406.3612 7.691744 -10.10828 
8.793827 
1 1 1 -4  -9  13 o 86.75604 1.859783  1583.670       67.41597 1557.121       
99.90549 1605.866       91.34918 86.08339 2.764338 87.42870 2.488695 -1.345314 
3.719565 
1 1 1 -4  -9  14 o 154.9153 2.466328  5109.390       151.0212 4861.470       
258.8528 5237.325       185.9484 151.9776 4.056900 157.8530 2.805825 -5.875366 
4.932656 
1 1 1 -4  -9  15 o 254.4029 4.075114  13668.31       428.6209 13628.22       
559.1912 13725.42       667.3818 254.0966 5.241825 254.7091 6.240953 
-0.6125183     8.150229 
1 1 1 -4  -9  16 o 79.82169 2.058566  1340.412       68.92867 1336.286       
99.45839 1344.225       95.61491 79.70000 2.972379 79.94339 2.848814 
-0.2433929     4.117132 
1 1 1 -4  -9  17 o 243.9055 3.342087  12628.73       337.7391 12996.92       
446.8782 12138.26       515.7645 248.2034 4.288470 239.6075 5.127104 8.595978 
6.684174 
1 1 1 -4  -9  18 o 205.6108 3.066184  9015.979       243.5111 8669.886       
436.8544 9171.988       293.3051 202.5074 5.138271 208.7141 3.347255 -6.206757 
6.132369 
1 1 1 -4  -9  19 o 170.4502 2.725116  6174.222       191.5558 5835.553       
295.7369 6419.009       251.4267 166.3175 4.235343 174.5828 3.430291 -8.265259 
5.450232 
1 1 1 -4  -9  20 o 96.71648 2.356796  1948.870       95.12968 1770.576       
126.4486 2181.376       144.3987 91.68095 3.285155 101.7520 3.380192 -10.07104 
4.713591 
1 1 1 -4  -9  21 o 194.9557 6.267277  8109.355       512.9722 8109.355       
512.9722 0.000000       0.000000 194.9557 6.267277 ?        ?        ? ? 
1 1 1 -4  -9  22 o 40.65880 3.375213  353.0742       57.28023 315.8198       
82.07851 388.4439       79.97539 38.52524 5.074639 42.79236 4.451549 -4.267120 
6.750426 
1 1 1 -4  -9  23 o 26.77270 5.512478  168.0505       68.80677 79.76147       
117.8866 213.6685       84.73827 22.66509 8.737700 30.88032 6.723264 -8.215229 
11.02496 
1 1 1 -4  -9  24 o 27.48878 5.358967  185.4831       67.99338 69.18257       
119.5687 241.0643       82.65910 22.10008 8.732059 32.87748 6.214924 -10.77740 
10.71793 
1 1 1 -4  -9  25 o 19.23015 5.636714  36.55391       68.66354 15.28629       
132.4314 44.37321       80.30001 20.39644 8.715921 18.06386 7.150027 2.332581 
11.27343 
1 1 1 -4  -9  26 o 53.71219 4.290310  647.1213       90.68714 595.9644       
154.3197 674.1072       112.0826 51.58893 7.125017 55.83545 4.781337 -4.246513 
8.580621 
1 1 1 -4  -9  27 o 58.79658 3.871217  762.1043       93.41228 755.3065       
147.8899 766.6165       120.4905 58.27924 6.044294 59.31392 4.838573 -1.034683 
7.742433 
1 1 1 -4  -9  28 o 91.74724 4.018961  1884.940       154.1854 1731.271       
220.5189 2031.917       215.6643 87.78032 5.983698 95.71415 5.366895 -7.933830 
8.037923 
1 1 1 -4  -9  29 o 43.00211 6.135489  496.0114       103.0267 352.7454       
171.4698 576.9537       128.8855 35.72723 10.64396 50.27699 6.105986 -14.54976 
12.27098 
1 1 1 -4  -9  30 o 24.67176 6.817156  127.7735       97.98913 218.0609       
169.3591 82.33849       120.1407 28.20586 10.57897 21.13766 8.601157 7.068197 
13.63431 
1 1 1 -4  -9  31 o 17.82245 5.954729  -76.14654      94.57228 71.54422       
195.8321 -121.0667      108.0010 22.33767 10.02788 13.30723 6.424700 9.030440 
11.90946 
1 1 1 -4  -8  1  o 215.7628 1.186965  9775.136       107.5014 9564.871       
152.0920 9985.060       151.9680 213.4435 1.697244 218.0822 1.659790 -4.638641 
2.373930 
1 1 1 -4  -8  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -8  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -8  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -8  5  o 479.8513 2.018764  48357.86       406.5866 48435.47       
568.6482 48276.68       581.5703 480.2477 2.820327 479.4549 2.889186 0.7928772 
4.037529 
1 1 1 -4  -8  6  f 333.7167 2.687518  23384.47       373.5518 23303.24       
497.5023 23489.46       565.5867 333.0688 3.557805 334.3646 4.029026 -1.295715 
5.375037 
1 1 1 -4  -8  7  o 497.4167 3.649198  52072.09       749.2538 52325.18       
975.6119 51708.20       1169.850 498.9607 4.657274 495.8727 5.619286 3.087982 
7.298396 
1 1 1 -4  -8  8  o 117.6140 1.484554  2828.736       69.12476 2688.086       
83.74554 3129.421       122.4471 113.1507 1.762891 122.0772 2.389104 -8.926468 
2.969108 
1 1 1 -4  -8  9  o 283.9071 3.644345  16959.50       433.9592 17246.99       
603.6346 16651.98       624.3094 286.4110 5.020020 281.4032 5.284354 5.007813 
7.288690 
1 1 1 -4  -8  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -8  11 o 262.8885 3.783947  14551.73       416.3228 14385.74       
611.6533 14695.02       568.2756 261.4659 5.572003 264.3113 5.121113 -2.845428 
7.567894 
1 1 1 -4  -8  12 o 285.1028 3.778300  17143.93       338.8346 17162.61       
371.8161 17052.42       822.9101 285.8091 3.098655 284.3965 6.892064 1.412598 
7.556600 
1 1 1 -4  -8  13 o 267.1833 3.277854  15029.79       332.5097 15000.55       
620.5975 15041.56       393.8049 266.8651 5.539102 267.5015 3.506517 
-0.6364441     6.555708 
1 1 1 -4  -8  14 o 133.1669 2.242455  3705.480       124.0119 3873.820       
191.7266 3584.393       162.6075 135.7402 3.364301 130.5935 2.965788 5.146698 
4.484910 
1 1 1 -4  -8  15 f 58.84962 1.840006  701.2327       44.59410 589.1850       
56.80704 881.1591       71.98599 52.94902 2.555438 64.75022 2.648060 -11.80120 
3.680012 
1 1 1 -4  -8  16 o 255.0984 3.326630  13686.48       312.2037 13804.11       
614.1373 13645.49       362.5454 255.5487 5.724175 254.6480 3.391120 0.9006653 
6.653260 
1 1 1 -4  -8  17 o 200.0395 2.684980  8415.160       220.8908 8353.844       
284.5775 8508.099       350.3538 199.1963 3.402830 200.8827 4.154180 -1.686386 
5.369959 
1 1 1 -4  -8  18 o 81.40146 1.954387  1396.281       66.66756 1340.769       
95.98658 1448.017       92.66542 79.82936 2.863973 82.97356 2.660106 -3.144203 
3.908773 
1 1 1 -4  -8  19 o 152.8452 2.339603  4912.201       148.9159 4967.414       
225.9864 4869.825       197.9794 153.5759 3.504937 152.1145 3.100063 1.461426 
4.679206 
1 1 1 -4  -8  20 o 66.69970 2.263738  938.9772       62.68960 953.0394       
83.06791 920.3717       95.54968 67.29659 2.940094 66.10281 3.442948 1.193787 
4.527476 
1 1 1 -4  -8  21 f 210.0325 10.02809  9587.712       884.2674 0.000000       
0.000000 9587.712       884.2674 ?        ?        210.0325 10.02809 ? ? 
1 1 1 -4  -8  22 o 84.93050 2.256312  1491.526       79.31667 1355.706       
102.2888 1696.342       125.6109 80.19446 3.038120 89.66654 3.336705 -9.472084 
4.512624 
1 1 1 -4  -8  23 o 90.21094 2.420824  1690.411       89.56432 1591.392       
113.5998 1853.074       145.6006 86.83026 3.116215 93.59161 3.705503 -6.761353 
4.841647 
1 1 1 -4  -8  24 o 60.69961 2.518748  780.5807       63.96414 867.4388       
91.55013 697.7435       89.40590 64.02271 3.406010 57.37650 3.711532 6.646214 
5.037497 
1 1 1 -4  -8  25 o 44.33297 3.252404  420.4250       60.33619 376.9906       
84.26509 466.1229       86.43272 41.94918 4.784596 46.71676 4.406832 -4.767578 
6.504808 
1 1 1 -4  -8  26 o 88.08206 2.658973  1641.299       95.82762 1595.169       
121.7639 1716.361       155.3224 86.61566 3.348446 89.54846 4.131399 -2.932800 
5.317946 
1 1 1 -4  -8  27 o 122.3252 3.716565  3222.045       188.3333 3012.170       
244.1277 3530.562       295.9888 117.7446 4.938525 126.9058 5.555392 -9.161278 
7.433129 
1 1 1 -4  -8  28 o 42.25554 5.340220  447.0354       86.31195 314.5195       
139.0946 530.0113       110.0658 35.47810 9.245793 49.03298 5.346692 -13.55488 
10.68044 
1 1 1 -4  -8  29 o 52.50135 4.693880  645.4601       100.5328 509.4725       
147.0992 764.6489       137.7140 46.56049 7.525127 58.44222 5.612708 -11.88173 
9.387759 
1 1 1 -4  -8  30 o 51.06071 5.741135  682.6754       106.8559 517.0367       
182.7823 768.6776       131.7068 43.69129 10.14970 58.43013 5.368987 -14.73884 
11.48227 
1 1 1 -4  -8  31 o 38.58236 6.580308  440.2849       109.0101 292.7579       
188.0622 514.9349       133.7768 30.90476 11.21412 46.25996 6.888054 -15.35520 
13.16062 
1 1 1 -4  -8  32 o 27.09463 6.437843  230.4120       104.3192 21.95437       
186.8746 324.7786       125.7334 20.44796 9.409134 33.74130 8.789282 -13.29334 
12.87569 
1 1 1 -4  -7  1  o 39.91814 1.883887  333.7021       31.39486 287.0610       
43.21824 385.8130       45.68223 36.97231 2.784272 42.86397 2.538493 -5.891663 
3.767773 
1 1 1 -4  -7  2  o 96.24803 1.332058  1934.597       49.41518 1971.063       
90.36774 1919.042       59.02095 96.88818 2.221589 95.60787 1.470394 1.280312 
2.664116 
1 1 1 -4  -7  3  o 194.5278 1.971979  7775.052       100.3611 8168.237       
307.7390 7728.257       106.1655 197.1901 3.717221 191.8655 1.317976 5.324646 
3.943957 
1 1 1 -4  -7  4  f 171.5913 1.941916  6173.495       116.8924 6200.719       
246.5134 6165.598       132.7679 171.8166 3.417405 171.3660 1.845396 0.4505463 
3.883831 
1 1 1 -4  -7  5  o 156.4835 1.403801  5138.965       92.11499 5187.986       
133.8745 5094.891       126.9423 157.1911 2.028575 155.7758 1.941007 1.415298 
2.807601 
1 1 1 -4  -7  6  o 368.5903 2.898144  28512.85       431.4238 28661.00       
716.5145 28428.59       540.3540 369.2960 4.621378 367.8847 3.498547 1.411224 
5.796289 
1 1 1 -4  -7  7  o 435.5889 4.383886  39358.51       702.8390 38775.82       
813.9081 41067.09       1393.728 429.5515 4.513165 441.6264 7.516992 -12.07489 
8.767773 
1 1 1 -4  -7  8  o 355.6717 3.692638  26835.35       494.6258 27145.28       
584.3090 26051.75       929.1081 359.4506 3.871902 351.8928 6.288933 7.557831 
7.385276 
1 1 1 -4  -7  9  o 312.5085 3.190311  20553.08       415.7343 20283.35       
623.2461 20769.31       558.0208 310.6358 4.778913 314.3812 4.227804 -3.745361 
6.380622 
1 1 1 -4  -7  10 o 175.6619 2.413931  6383.674       157.6159 6273.713       
183.4097 6694.227       308.2276 172.8423 2.527512 178.4815 4.113384 -5.639221 
4.827861 
1 1 1 -4  -7  11 o 224.6292 3.411187  10600.71       321.6998 0.000000       
0.000000 10600.71       321.6998 ?        ?        224.6292 3.411187 ? ? 
1 1 1 -4  -7  12 o 81.81473 1.902158  1371.327       62.99248 1533.514       
106.4459 1283.917       78.14474 85.44067 2.967462 78.18878 2.380545 7.251884 
3.804317 
1 1 1 -4  -7  13 o 372.3431 5.682385  29375.79       842.8790 29580.67       
1041.439 28986.77       1435.079 374.5993 6.621983 370.0869 9.236198 4.512451 
11.36477 
1 1 1 -4  -7  14 o 60.15354 2.043238  760.9606       51.54522 743.6475       
74.12184 777.1738       71.72892 59.48881 2.967782 60.81827 2.809191 -1.329460 
4.086476 
1 1 1 -4  -7  15 o 58.32533 2.057729  714.9832       50.33865 757.6869       
71.72617 673.5338       70.66490 60.04311 2.845349 56.60756 2.973380 3.435558 
4.115458 
1 1 1 -4  -7  16 o 74.61627 2.025908  1164.772       63.05488 1123.157       
83.89117 1218.811       95.59734 73.09686 2.733623 76.13569 2.990740 -3.038834 
4.051816 
1 1 1 -4  -7  17 o 150.2527 2.045408  4738.996       127.9427 4679.829       
169.7643 4816.787       194.6556 149.1865 2.710428 151.3189 3.064043 -2.132355 
4.090816 
1 1 1 -4  -7  18 o 24.25743 3.946769  131.7700       39.56097 156.3489       
53.81774 102.8746       58.35228 26.77872 4.973127 21.73615 6.129922 5.042568 
7.893538 
1 1 1 -4  -7  19 o 80.18165 2.237736  1365.136       70.58163 1388.056       
86.31721 1318.888       122.6133 81.24561 2.530571 79.11768 3.691350 2.127930 
4.475472 
1 1 1 -4  -7  20 o 261.0368 11.71790  14838.23       1284.193 14838.23       
1284.193 0.000000       0.000000 261.0368 11.71790 ?        ?        ? ? 
1 1 1 -4  -7  21 o 117.5659 2.696549  2896.917       132.0239 2785.832       
174.5183 3045.557       201.8749 114.9726 3.615495 120.1593 4.001713 -5.186722 
5.393099 
1 1 1 -4  -7  22 o 67.84003 2.423316  966.3198       68.54174 936.7787       
91.10428 1004.849       104.0449 66.66557 3.255054 69.01450 3.590886 -2.348930 
4.846632 
1 1 1 -4  -7  23 o 183.8207 3.477675  7156.119       266.9853 6962.892       
357.6526 7399.318       401.2444 181.1214 4.703408 186.5200 5.123948 -5.398544 
6.955349 
1 1 1 -4  -7  24 o 62.31870 2.622454  823.2382       68.13257 831.6550       
91.39011 812.7073       102.2259 62.71027 3.471216 61.92714 3.931885 0.7831230 
5.244908 
1 1 1 -4  -7  25 o 32.90675 4.172647  237.1860       56.12020 238.8572       
75.83703 235.1628       83.43829 33.35717 5.415184 32.45634 6.349780 0.9008255 
8.345293 
1 1 1 -4  -7  26 o 73.46249 2.588191  1134.034       78.65092 1071.501       
101.6807 1227.178       124.0970 71.03585 3.409433 75.88914 3.894958 -4.853294 
5.176382 
1 1 1 -4  -7  27 o 51.98626 3.032124  587.2689       64.67046 617.2185       
84.39602 544.6703       100.6522 53.75188 3.739808 50.22064 4.773775 3.531242 
6.064247 
1 1 1 -4  -7  28 o 116.7217 2.845088  2881.102       132.3694 2772.952       
162.0802 3097.710       229.3798 113.9108 3.389114 119.5325 4.570777 -5.621750 
5.690175 
1 1 1 -4  -7  29 f 58.31236 2.918734  743.8215       68.99682 765.6568       
87.77722 708.5162       111.6147 59.69980 3.502112 56.92491 4.670250 2.774891 
5.837467 
1 1 1 -4  -7  30 f 23.41207 6.248808  113.3756       90.14489 15.45620       
141.4995 180.2639       116.9487 19.97826 8.775414 26.84587 8.898456 -6.867615 
12.49762 
1 1 1 -4  -7  31 o 33.04564 7.052934  304.7149       103.5760 291.4390       
184.7831 310.7969       125.0712 31.56841 11.14929 34.52285 8.641109 -2.954439 
14.10587 
1 1 1 -4  -7  32 o 73.21497 4.705642  1325.472       135.5916 1195.965       
225.7020 1398.607       169.6097 68.40569 7.858944 78.02424 5.177765 -9.618553 
9.411283 
1 1 1 -4  -7  33 o 17.27564 5.818016  -66.22501      104.7442 -19.95081      
192.4712 -85.69626      124.8514 19.52064 9.164030 15.03065 7.170619 4.489985 
11.63603 
1 1 1 -4  -6  1  o 213.1544 1.685366  9518.519       146.3329 9629.901       
238.4012 9451.187       185.3596 214.1453 2.651679 212.1635 2.080968 1.981781 
3.370731 
1 1 1 -4  -6  2  o 118.9433 1.298181  2997.688       63.12930 2844.830       
100.1350 3098.518       81.32742 116.4011 2.049037 121.4855 1.594534 -5.084373 
2.596361 
1 1 1 -4  -6  3  o 168.3713 2.078798  5866.274       99.19910 6072.629       
276.2678 5835.730       106.2873 170.0189 3.870384 166.7238 1.518466 3.295166 
4.157597 
1 1 1 -4  -6  4  o 104.5947 1.269385  2301.185       55.60277 2224.928       
80.73145 2370.002       76.69232 102.9425 1.867967 106.2470 1.719318 -3.304581 
2.538770 
1 1 1 -4  -6  5  o 49.16008 1.357858  510.1465       27.86694 457.2734       
39.97162 560.1481       38.87102 46.66773 2.040122 51.65244 1.792488 -4.984707 
2.715716 
1 1 1 -4  -6  6  o 171.7006 1.836950  6197.242       128.3938 6164.339       
208.6386 6217.298       162.8900 171.3259 2.900633 172.0753 2.254743 
-0.7493896     3.673899 
1 1 1 -4  -6  7  o 472.4794 4.563814  47360.63       741.6365 46275.37       
1595.772 47659.63       837.5894 468.6949 8.109644 476.2640 4.188944 -7.569092 
9.127627 
1 1 1 -4  -6  8  o 219.6920 2.317870  10127.86       212.6254 10046.52       
285.6216 10228.97       318.4445 218.7099 3.110596 220.6740 3.437191 -1.964111 
4.635740 
1 1 1 -4  -6  9  f 257.0589 2.733265  13938.98       291.7272 14286.79       
387.6794 13484.92       442.9526 260.7884 3.540834 253.3295 4.164785 7.458908 
5.466529 
1 1 1 -4  -6  10 o 107.9886 1.634687  2401.392       72.80839 2695.503       
116.6805 2213.849       93.17374 113.2966 2.453028 102.6806 2.161355 10.61597 
3.269373 
1 1 1 -4  -6  11 o 472.1851 6.426775  47012.02       1233.050 47216.81       
2017.098 46889.84       1558.063 472.6909 10.16414 471.6794 7.867908 1.011505 
12.85355 
1 1 1 -4  -6  12 o 204.6659 3.656943  8809.702       313.4785 8804.016       
428.7337 8816.236       459.5163 204.6085 4.990971 204.7232 5.346319 
-0.1147156     7.313885 
1 1 1 -4  -6  13 f 162.7543 7.397468  5586.297       505.4689 5586.297       
505.4689 0.000000       0.000000 162.7543 7.397468 ?        ?        ? ? 
1 1 1 -4  -6  14 o 168.7998 2.935938  5979.763       205.2379 5919.746       
268.3595 6064.332       318.5523 167.8050 3.809194 169.7946 4.468666 -1.989578 
5.871876 
1 1 1 -4  -6  15 o 174.8702 2.472731  6425.797       177.9896 6412.294       
229.9848 6445.964       281.0580 174.6677 3.136229 175.0728 3.823828 
-0.4051208     4.945461 
1 1 1 -4  -6  16 o 175.6127 2.652751  6391.089       165.1882 6308.723       
187.9648 6670.505       346.2017 173.2673 2.583930 177.9580 4.633752 -4.690659 
5.305502 
1 1 1 -4  -6  17 o 213.9720 3.559113  9682.371       318.4441 9955.105       
435.0820 9367.693       467.3426 217.2798 4.769499 210.6642 5.284034 6.615601 
7.118226 
1 1 1 -4  -6  18 o 207.5173 2.639302  8862.641       204.5368 8626.398       
238.1820 9526.155       399.1669 202.5240 2.801261 212.5106 4.473990 -9.986557 
5.278603 
1 1 1 -4  -6  19 o 135.2548 3.013717  3824.398       169.2927 4089.184       
262.6232 3636.141       221.4421 139.1867 4.494240 131.3228 4.016438 7.863937 
6.027435 
1 1 1 -4  -6  20 o 102.5870 5.979088  2230.480       257.5171 0.000000       
0.000000 2230.480       257.5171 ?        ?        102.5870 5.979088 ? ? 
1 1 1 -4  -6  21 o 26.88736 4.799407  159.9754       54.31792 145.1833       
77.90088 173.9720       75.77740 25.70682 7.021562 28.06791 6.544839 -2.361095 
9.598815 
1 1 1 -4  -6  22 o 176.2233 3.712124  6568.913       270.3871 6633.944       
421.9030 6523.585       352.2292 176.8248 5.683166 175.6217 4.777143 1.203140 
7.424249 
1 1 1 -4  -6  23 o 143.3646 2.771401  4317.665       163.7151 4213.776       
210.9542 4474.988       259.5985 141.2931 3.556216 145.4361 4.251586 -4.142975 
5.542803 
1 1 1 -4  -6  24 o 102.3412 2.741436  2217.453       116.3183 2220.932       
152.9966 2212.689       179.0585 102.5031 3.555213 102.1792 4.174009 0.3239136 
5.482873 
1 1 1 -4  -6  25 o 69.17235 2.499197  992.8743       70.96229 923.8990       
90.01073 1106.150       115.3495 66.10680 3.243166 72.23790 3.803397 -6.131096 
4.998395 
1 1 1 -4  -6  26 f 113.0501 2.628578  2708.333       124.6043 2576.597       
171.1890 2856.769       181.7160 110.1389 3.702169 115.9613 3.732511 -5.822426 
5.257156 
1 1 1 -4  -6  27 o 59.84232 2.752114  759.9288       68.76254 724.0681       
91.72036 805.9504       103.9054 58.27577 3.748856 61.40888 4.030211 -3.133114 
5.504228 
1 1 1 -4  -6  28 o 46.25710 3.355805  452.8833       64.39117 375.7814       
84.46030 559.8961       99.50346 41.63556 4.831804 50.87864 4.658260 -9.243084 
6.711611 
1 1 1 -4  -6  29 f 36.22523 4.164709  293.7357       61.19242 238.8837       
83.44783 357.5419       90.00160 32.14820 6.409828 40.30227 5.319144 -8.154072 
8.329417 
1 1 1 -4  -6  30 o 86.67578 2.752976  1615.219       98.12856 1571.105       
125.9438 1683.372       156.5440 85.42664 3.511597 87.92493 4.240778 -2.498283 
5.505952 
1 1 1 -4  -6  31 o 22.33474 5.299145  106.7149       61.76788 49.18587       
82.68597 179.3523       92.91138 17.84627 7.185218 26.82320 7.790789 -8.976931 
10.59829 
1 1 1 -4  -6  32 o 31.59746 7.425353  268.0974       106.8469 376.5154       
199.2592 224.3428       126.5843 34.55853 11.61518 28.63640 9.253701 5.922129 
14.85071 
1 1 1 -4  -6  33 o 47.40671 6.356053  638.9005       116.2464 577.6476       
194.8550 672.7469       144.8455 42.60154 10.85977 52.21188 6.607797 -9.610336 
12.71211 
1 1 1 -4  -5  1  o 268.8814 2.133571  14906.37       222.2792 14484.52       
265.3376 15899.07       407.0329 262.6416 2.406337 275.1212 3.523924 -12.47961 
4.267141 
1 1 1 -4  -5  2  o 296.9104 2.568175  18181.01       250.3765 19061.67       
583.4529 17982.23       277.1971 301.1759 4.614309 292.6448 2.256155 8.531067 
5.136349 
1 1 1 -4  -5  3  o 303.7150 2.622127  19456.58       288.8995 19218.77       
577.8901 19535.82       333.5749 302.4186 4.551534 305.0114 2.604944 -2.592773 
5.244253 
1 1 1 -4  -5  4  f 50.06181 1.362078  525.5417       28.60911 545.0590       
41.37309 507.6582       39.60366 50.95135 1.934119 49.17227 1.918387 1.779076 
2.724156 
1 1 1 -4  -5  5  o 191.1620 1.958861  7641.100       148.6016 7774.553       
257.1379 7574.181       182.0868 192.3977 3.183370 189.9263 2.283571 2.471451 
3.917722 
1 1 1 -4  -5  6  o 107.1124 1.510252  2392.042       67.24957 2295.235       
88.34037 2525.461       103.7078 104.5547 2.012504 109.6702 2.252391 -5.115532 
3.020503 
1 1 1 -4  -5  7  o 502.4149 5.296994  53260.93       1085.580 53645.99       
1383.321 52643.61       1751.512 504.9622 6.525071 499.8676 8.346019 5.094635 
10.59399 
1 1 1 -4  -5  8  o 429.5230 5.574952  38653.49       958.1672 39525.63       
1631.074 38193.93       1183.999 432.9929 8.972511 426.0532 6.619245 6.939697 
11.14990 
1 1 1 -4  -5  9  o 254.8637 2.741282  13729.47       275.9337 13400.45       
477.0194 13894.93       338.2722 252.5183 4.499499 257.2090 3.132573 -4.690674 
5.482563 
1 1 1 -4  -5  10 o 265.2165 3.096192  14757.65       317.5187 14844.10       
575.4757 14719.82       380.7136 265.7172 5.158559 264.7159 3.425622 1.001312 
6.192384 
1 1 1 -4  -5  11 o 271.6121 3.180345  15342.39       318.6483 15847.56       
628.2692 15167.44       369.7312 274.5114 5.451381 268.7128 3.277319 5.798553 
6.360690 
1 1 1 -4  -5  12 o 77.48335 1.848992  1261.321       60.07222 1251.122       
86.98197 1270.621       83.06333 77.18283 2.684291 77.78387 2.543554 
-0.6010361     3.697984 
1 1 1 -4  -5  13 o 256.3240 3.957953  13690.51       411.7558 13316.58       
516.3777 14343.39       682.3239 251.6375 4.887798 261.0107 6.226635 -9.373199 
7.915905 
1 1 1 -4  -5  14 o 148.3319 4.086624  4625.662       254.4944 0.000000       
0.000000 4625.662       254.4944 ?        ?        148.3319 4.086624 ? ? 
1 1 1 -4  -5  15 o 47.87605 2.281334  481.7158       45.49470 404.6340       
63.04187 565.4861       65.72011 43.87589 3.422348 51.87621 3.017527 -8.000317 
4.562668 
1 1 1 -4  -5  16 o 293.8448 4.095191  18395.56       461.4315 18676.87       
552.4448 17746.48       839.1725 297.8814 4.417398 289.8081 6.897025 8.073334 
8.190382 
1 1 1 -4  -5  17 o 37.63760 2.759624  300.7419       43.08232 248.2901       
61.11443 352.5571       60.74247 34.33805 4.239252 40.93716 3.534238 -6.599110 
5.519248 
1 1 1 -4  -5  18 o 173.2887 2.689012  6366.413       189.2591 6499.612       
240.4512 6149.524       306.8274 175.7593 3.258590 170.8180 4.278402 4.941345 
5.378023 
1 1 1 -4  -5  19 f 213.6045 4.448128  9597.122       386.1552 9989.044       
636.4844 9368.831       485.7720 216.7714 6.993699 210.4376 5.498322 6.333740 
8.896256 
1 1 1 -4  -5  20 o 40.85844 3.279137  352.5368       55.53149 431.0811       
80.66357 281.7743       76.56351 45.20429 4.250293 36.51260 4.994594 8.691696 
6.558274 
1 1 1 -4  -5  21 o 74.46255 2.494191  1169.979       77.66853 1141.610       
114.2358 1194.365       105.9153 73.60937 3.696496 75.31574 3.349608 -1.706375 
4.988382 
1 1 1 -4  -5  22 o 42.42603 3.502302  380.5815       62.37355 389.5505       
88.53104 371.7415       87.89148 42.92483 4.912562 41.92723 4.993115 0.9975967 
7.004603 
1 1 1 -4  -5  23 o 109.7259 2.776142  2547.100       127.5889 2448.220       
184.5592 2637.615       176.5809 107.6562 4.083360 111.7956 3.762184 -4.139420 
5.552284 
1 1 1 -4  -5  24 o 93.18958 2.590665  1834.881       101.2903 1832.866       
140.6708 1837.050       145.9683 93.14742 3.597115 93.23175 3.729201 
-0.8433533E-01 5.181329 
1 1 1 -4  -5  25 o 32.19394 4.378696  219.0481       57.42600 160.6422       
74.85212 302.6054       89.52995 26.78440 6.673187 37.60347 5.671024 -10.81907 
8.757393 
1 1 1 -4  -5  26 o 85.03693 2.591316  1512.917       91.43927 1407.797       
118.9964 1664.481       142.8861 81.52097 3.476846 88.55289 3.843335 -7.031914 
5.182633 
1 1 1 -4  -5  27 o 124.1337 2.671243  3232.202       132.4923 3129.049       
162.7851 3434.641       228.0449 121.4869 3.191584 126.7806 4.284385 -5.293739 
5.342486 
1 1 1 -4  -5  28 o 34.71973 4.389620  271.3835       61.73790 286.2373       
82.57039 252.5509       92.97366 36.26895 5.422635 33.17052 6.904354 3.098431 
8.779241 
1 1 1 -4  -5  29 o 35.15233 4.426340  285.2205       62.54329 330.6620       
84.96556 231.4782       92.40061 38.87822 5.205442 31.42644 7.160539 7.451782 
8.852680 
1 1 1 -4  -5  30 o 46.25652 3.708893  490.9990       68.75429 602.6219       
92.94487 356.1031       102.1758 52.70789 4.200209 39.80513 6.114066 12.90276 
7.417787 
1 1 1 -4  -5  31 o 32.15588 5.085933  254.5429       67.43663 286.8922       
87.24666 206.5333       106.2871 35.62098 5.833968 28.69078 8.332567 6.930204 
10.17187 
1 1 1 -4  -5  32 o 43.66056 3.885777  426.9535       70.57327 390.9387       
92.49805 477.1239       109.1732 41.60527 5.295480 45.71586 5.688141 -4.110592 
7.771555 
1 1 1 -4  -5  33 f 33.15167 6.269449  305.7308       88.99211 315.6103       
119.9646 293.6414       132.7054 34.21592 8.401469 32.08742 9.308022 2.128494 
12.53890 
1 1 1 -4  -5  34 o 23.32574 6.613647  145.8095       112.0910 -55.96539      
205.3733 231.4174       133.7727 19.28730 9.200222 27.36419 9.503536 -8.076891 
13.22729 
1 1 1 -4  -4  1  f 325.2290 3.338719  22005.40       407.1213 21737.80       
476.7619 22725.96       782.3419 321.6959 3.530019 328.7620 5.668081 -7.066101 
6.677438 
1 1 1 -4  -4  2  o 190.8897 1.878144  7755.767       141.0484 7349.809       
243.7779 7960.061       172.9348 187.0712 3.103905 194.7082 2.115530 -7.636963 
3.756287 
1 1 1 -4  -4  3  o 223.5784 1.893867  10491.59       174.7242 10467.55       
226.9306 10526.60       273.8153 223.2714 2.420923 223.8854 2.913084 
-0.6139984     3.787734 
1 1 1 -4  -4  4  o 130.4666 1.668337  3574.438       91.36289 3666.720       
129.4130 3482.741       129.0012 132.1460 2.332625 128.7873 2.385844 3.358734 
3.336674 
1 1 1 -4  -4  5  o 76.66165 1.389961  1233.781       44.68356 1230.867       
61.67698 1237.002       64.82464 76.56671 1.918687 76.75658 2.011618 
-0.1898727     2.779922 
1 1 1 -4  -4  6  o 213.4945 2.661153  9580.084       238.2028 9679.328       
329.3763 9471.265       344.8989 214.6588 3.654810 212.3303 3.869019 2.328461 
5.322306 
1 1 1 -4  -4  7  o 129.4005 1.745697  3419.268       85.99909 3745.028       
163.3622 3294.379       101.1496 133.5387 2.913838 125.2624 1.923377 8.276344 
3.491394 
1 1 1 -4  -4  8  o 411.2683 4.347902  35073.98       564.4646 36344.18       
1378.960 34818.30       618.6716 415.4102 7.906707 407.1263 3.619529 8.283936 
8.695804 
1 1 1 -4  -4  9  o 54.54621 1.666188  622.8637       37.73598 504.0037       
51.69457 758.4513       55.21243 48.99122 2.513320 60.10120 2.188138 -11.10999 
3.332375 
1 1 1 -4  -4  10 o 31.81258 2.231972  213.4209       29.67752 192.7855       
42.36452 233.3058       41.58699 30.29549 3.330776 33.32967 2.971991 -3.034187 
4.463944 
1 1 1 -4  -4  11 o 685.2144 8.386328  99372.86       2143.798 99368.91       
2511.526 99383.43       4115.125 686.4853 8.714201 683.9434 14.33125 2.541870 
16.77266 
1 1 1 -4  -4  12 o 165.3401 1.941734  5737.012       134.6914 5850.159       
194.8737 5633.519       186.3752 166.8988 2.781128 163.7814 2.710470 3.117401 
3.883467 
1 1 1 -4  -4  13 o 165.6427 2.230484  5691.295       130.6617 5898.212       
274.4916 5630.673       148.5741 167.5342 3.902534 163.7512 2.161125 3.783020 
4.460967 
1 1 1 -4  -4  14 o 143.1622 2.244087  4294.881       128.3100 4341.586       
218.7464 4270.382       158.4272 143.7360 3.624902 142.5883 2.646468 1.147675 
4.488174 
1 1 1 -4  -4  15 o 194.9865 3.722423  7991.817       301.6893 7926.107       
398.6895 8079.850       461.4683 194.0862 4.892843 195.8869 5.611222 -1.800735 
7.444845 
1 1 1 -4  -4  16 o 65.14056 2.958771  891.6918       80.91737 891.6918       
80.91737 0.000000       0.000000 65.14056 2.958771 ?        ?        ? ? 
1 1 1 -4  -4  17 o 45.66216 2.486997  437.9766       47.64105 452.1222       
69.03934 425.1178       65.82481 46.36441 3.546769 44.95990 3.487268 1.404507 
4.973993 
1 1 1 -4  -4  18 o 40.92477 3.212583  349.1887       54.88737 391.5872       
83.10183 316.3807       73.10122 43.10288 4.592248 38.74667 4.493774 4.356205 
6.425166 
1 1 1 -4  -4  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -4  20 o 30.02179 4.349907  200.1889       53.91124 125.2063       
76.68391 273.4677       75.80766 24.07328 7.105487 35.97030 5.019842 -11.89702 
8.699814 
1 1 1 -4  -4  21 o 83.20387 2.375146  1458.122       82.68137 1452.022       
121.9739 1463.307       112.4626 83.03208 3.498986 83.37565 3.212846 
-0.3435669     4.750293 
1 1 1 -4  -4  22 o 148.8324 3.205344  4618.801       195.7007 4419.237       
248.9953 4941.295       316.5266 144.7562 4.097085 152.9085 4.930599 -8.152344 
6.410687 
1 1 1 -4  -4  23 o 128.2759 2.989148  3452.372       159.1656 3617.110       
246.5645 3334.680       208.4051 130.8350 4.488773 125.7168 3.948535 5.118172 
5.978295 
1 1 1 -4  -4  24 o 116.9758 2.709317  2880.586       130.7524 2943.744       
205.8638 2837.880       169.2814 117.9819 4.156096 115.9697 3.476847 2.012230 
5.418634 
1 1 1 -4  -4  25 o 93.16261 2.667646  1812.982       103.5203 2021.723       
159.0495 1659.559       136.3561 97.73643 3.876117 88.58880 3.666205 9.147629 
5.335292 
1 1 1 -4  -4  26 o 17.97860 5.020841  15.08354       62.82706 -72.43546      
90.88492 95.18378       86.94759 14.02856 6.496150 21.92865 7.657374 -7.900095 
10.04168 
1 1 1 -4  -4  27 o 54.84309 2.956854  637.9291       67.79646 561.1718       
92.78489 725.8516       99.30412 51.29493 4.308478 58.39126 4.050797 -7.096333 
5.913708 
1 1 1 -4  -4  28 o 80.53578 2.613397  1356.635       86.86386 1252.060       
111.3556 1519.166       138.8251 76.72084 3.457164 84.35073 3.920127 -7.629890 
5.226794 
1 1 1 -4  -4  29 o 57.41700 3.024276  702.5326       72.44124 605.2101       
97.49083 822.5128       108.2460 52.98628 4.382494 61.84772 4.168780 -8.861443 
6.048553 
1 1 1 -4  -4  30 o 18.98380 5.139596  30.53163       62.83168 -43.61524      
82.50284 132.9202       96.95010 13.86354 6.326118 24.10406 8.101977 -10.24052 
10.27919 
1 1 1 -4  -4  31 o 19.73819 5.264134  41.47388       65.21517 -36.41874      
84.99305 152.9856       101.6940 14.24858 6.480001 25.22781 8.297832 -10.97924 
10.52827 
1 1 1 -4  -4  32 o 22.21346 5.643926  111.3069       66.76746 96.34060       
88.78548 130.7867       101.2928 20.97925 7.696106 23.44766 8.257455 -2.468412 
11.28785 
1 1 1 -4  -4  33 o 24.86259 5.728997  151.8623       68.63203 114.3250       
89.23323 206.2296       107.3900 21.81354 7.743397 27.91163 8.445439 -6.098091 
11.45799 
1 1 1 -4  -4  34 o 33.23878 6.365582  323.3513       94.90180 228.8104       
133.7291 419.2684       134.6990 27.49807 9.506600 38.97949 8.468002 -11.48142 
12.73116 
1 1 1 -4  -3  1  o 401.2374 4.095611  33853.13       689.9077 33943.27       
973.5240 33762.19       977.8441 401.7764 5.771429 400.6984 5.812635 1.078033 
8.191221 
1 1 1 -4  -3  2  o 143.2460 1.631802  4312.927       98.01588 4199.142       
140.9837 4419.376       136.3626 141.4144 2.374633 145.0777 2.238802 -3.663315 
3.263605 
1 1 1 -4  -3  3  o 287.8421 2.519554  17306.19       278.9558 17646.21       
512.0379 17162.68       332.6568 289.8046 4.208408 285.8795 2.771625 3.925110 
5.039108 
1 1 1 -4  -3  4  o 112.9990 1.556669  2689.736       73.46170 2777.949       
99.90040 2585.873       108.4004 115.0245 2.068702 110.9735 2.326660 4.051003 
3.113339 
1 1 1 -4  -3  5  o 169.6343 1.940025  5927.340       120.5168 5810.958       
139.0185 6279.366       241.7777 166.3625 1.990391 172.9061 3.330635 -6.543579 
3.880049 
1 1 1 -4  -3  6  o 65.66451 1.567696  906.9399       42.98848 889.2658       
63.85178 921.5928       58.13880 65.07743 2.337027 66.25159 2.090214 -1.174164 
3.135393 
1 1 1 -4  -3  7  o 56.33090 1.575582  652.7385       36.84575 804.0024       
56.59799 541.4772       48.54059 61.88009 2.178568 50.78172 2.276768 11.09837 
3.151163 
1 1 1 -4  -3  8  o 466.8395 5.195373  46204.55       909.3478 45150.27       
1723.105 46611.52       1070.568 462.8220 8.867860 470.8571 5.415593 -8.035156 
10.39075 
1 1 1 -4  -3  9  o 214.0407 3.143504  9547.375       273.8298 9947.045       
450.1458 9312.603       345.0055 217.5413 4.928702 210.5401 3.903123 7.001160 
6.287008 
1 1 1 -4  -3  10 o 378.6539 3.521643  29689.28       487.0370 29239.90       
561.6532 31051.52       977.8900 373.0875 3.585739 384.2203 6.062206 -11.13287 
7.043285 
1 1 1 -4  -3  11 o 298.7673 3.506752  18893.86       411.8676 18390.95       
717.9474 19140.55       502.8394 295.7080 5.782965 301.8265 3.968194 -6.118500 
7.013505 
1 1 1 -4  -3  12 o 273.8188 3.594243  15842.19       394.9251 15493.92       
660.8350 16035.67       492.5586 271.4013 5.799655 276.2363 4.247156 -4.835022 
7.188487 
1 1 1 -4  -3  13 o 147.4480 2.402696  4539.161       146.9446 4394.730       
192.0398 4743.172       228.2391 144.6432 3.162381 150.2527 3.618169 -5.609436 
4.805393 
1 1 1 -4  -3  14 o 113.2613 2.147027  2692.981       101.8994 2722.130       
149.1326 2667.454       139.5584 113.8336 3.120492 112.6890 2.949820 1.144608 
4.294055 
1 1 1 -4  -3  15 o 52.27568 2.194262  570.0885       47.30128 434.0253       
64.00643 733.8118       70.21156 45.44798 3.354518 59.10339 2.829550 -13.65541 
4.388524 
1 1 1 -4  -3  16 o 118.8954 2.123729  2967.704       103.3021 2982.083       
166.0875 2958.633       131.9247 119.1170 3.321118 118.6738 2.647843 0.4432297 
4.247458 
1 1 1 -4  -3  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -3  18 o 25.45431 4.816498  143.9632       53.90760 181.7569       
72.85428 98.23345       80.13904 28.77382 6.207645 22.13481 7.366123 6.639008 
9.632997 
1 1 1 -4  -3  19 o 113.0077 3.988414  2627.109       154.9371 2826.625       
341.2911 2575.316       173.8882 115.4215 7.043028 110.5940 3.745069 4.827507 
7.976829 
1 1 1 -4  -3  20 o 131.4895 2.922085  3640.340       156.7741 3667.031       
253.9492 3623.903       199.2824 131.8109 4.588984 131.1681 3.618777 0.6427612 
5.844170 
1 1 1 -4  -3  21 o 177.7433 3.574997  6613.309       261.9093 7012.427       
416.8317 6352.941       336.6685 182.0296 5.454309 173.4569 4.623086 8.572723 
7.149994 
1 1 1 -4  -3  22 o 155.7795 3.373778  5119.157       217.9611 5084.960       
286.3198 5166.283       336.1223 155.2342 4.393240 156.3248 5.121421 -1.090607 
6.747556 
1 1 1 -4  -3  23 o 133.3462 3.199022  3720.497       176.1489 3572.371       
227.3335 3943.049       278.6515 130.1178 4.161479 136.5745 4.859737 -6.456696 
6.398043 
1 1 1 -4  -3  24 o 156.5046 3.308959  5196.310       216.7587 4751.272       
307.4170 5636.324       305.6766 149.7660 4.889175 163.2432 4.460136 -13.47719 
6.617918 
1 1 1 -4  -3  25 o 97.94218 2.738734  2024.534       112.3063 1976.549       
152.5127 2081.377       165.9924 96.69827 3.756715 99.18610 3.986194 -2.487831 
5.477468 
1 1 1 -4  -3  26 o 91.68384 2.613912  1781.794       100.2939 1745.195       
146.9711 1813.692       137.2058 90.76783 3.856748 92.59985 3.529256 -1.832016 
5.227825 
1 1 1 -4  -3  27 o 57.97290 2.970726  715.1965       72.17635 661.0280       
101.2643 771.1302       102.9009 55.71732 4.328996 60.22847 4.069476 -4.511154 
5.941451 
1 1 1 -4  -3  28 o 87.49034 2.698638  1625.317       98.89145 1790.544       
143.7783 1476.976       136.2337 91.72475 3.733601 83.25592 3.897541 8.468834 
5.397277 
1 1 1 -4  -3  29 o 54.10026 3.109185  625.7666       70.25426 595.5948       
93.85241 664.2207       105.9537 52.66970 4.244296 55.53082 4.544676 -2.861122 
6.218370 
1 1 1 -4  -3  30 o 123.4866 2.575579  3266.390       133.4750 3140.068       
186.7104 3398.422       190.8831 121.0235 3.674682 125.9497 3.609867 -4.926231 
5.151158 
1 1 1 -4  -3  31 o 26.75565 5.532387  168.0285       64.92726 147.3311       
83.16234 200.3385       103.9053 24.89895 7.411553 28.61234 8.215722 -3.713396 
11.06477 
1 1 1 -4  -3  32 o 17.19428 5.154235  23.54218       63.34401 17.79604       
81.48980 32.31505       100.6899 16.17727 6.872584 18.21129 7.683238 -2.034016 
10.30847 
1 1 1 -4  -3  33 o 78.95743 2.851228  1354.019       91.63304 1313.891       
115.5304 1422.078       150.4585 77.78520 3.537696 80.12965 4.472439 -2.344452 
5.702456 
1 1 1 -4  -3  34 o 21.29784 5.612396  89.57178       65.47075 44.57038       
79.87365 181.7169       114.2949 16.93664 6.972461 25.65905 8.796634 -8.722403 
11.22479 
1 1 1 -4  -2  1  o 212.4034 2.920955  9483.420       260.2867 9071.685       
368.2150 9894.646       367.9870 207.7890 4.220849 217.0178 4.038854 -9.228790 
5.841909 
1 1 1 -4  -2  2  o 203.5237 2.747150  8716.633       193.3531 8675.810       
414.9941 8727.952       218.5206 203.1744 4.865125 203.8730 2.553017 
-0.6985626     5.494301 
1 1 1 -4  -2  3  o 337.6649 2.679417  23843.17       372.2776 24489.97       
591.8342 23419.70       478.8837 341.4138 4.128953 333.9159 3.415970 7.497925 
5.358834 
1 1 1 -4  -2  4  o 49.28270 1.508940  476.9564       30.15265 694.3820       
50.16220 353.9496       37.72989 57.50783 2.077642 41.05757 2.188837 16.45026 
3.017880 
1 1 1 -4  -2  5  o 209.7173 1.959082  9153.397       169.0304 8840.786       
216.6208 9640.050       270.2762 205.1875 2.514609 214.2471 3.004788 -9.059662 
3.918164 
1 1 1 -4  -2  6  o 73.40175 1.532558  1057.420       44.89548 912.0468       
54.23002 1374.092       80.03926 65.90849 1.959835 80.89500 2.356690 -14.98652 
3.065117 
1 1 1 -4  -2  7  o 329.0450 3.315205  22333.13       390.2613 23559.86       
809.7042 21961.92       445.4112 334.7271 5.761779 323.3630 3.280891 11.36411 
6.630411 
1 1 1 -4  -2  8  o 434.9440 5.632322  39820.48       1017.185 39990.39       
1559.758 39694.74       1341.762 435.6464 8.527940 434.2417 7.359785 1.404694 
11.26464 
1 1 1 -4  -2  9  o 95.33269 1.864767  1882.084       73.83249 1740.361       
96.28054 2084.394       115.0344 91.03796 2.519051 99.62741 2.750237 -8.589447 
3.729534 
1 1 1 -4  -2  10 o 173.1067 2.237164  6235.415       153.5835 6119.716       
187.6326 6470.313       267.3531 170.7107 2.617993 175.5027 3.628461 -4.791992 
4.474329 
1 1 1 -4  -2  11 o 578.8279 6.637300  71206.95       1476.758 69347.54       
2680.946 72016.87       1769.389 572.7802 11.14862 584.8756 7.205780 -12.09540 
13.27460 
1 1 1 -4  -2  12 o 97.07678 1.844445  1970.640       74.52284 2040.879       
113.9515 1918.147       98.50931 98.57964 2.753302 95.57392 2.455042 3.005722 
3.688889 
1 1 1 -4  -2  13 o 221.5054 2.415997  9778.257       159.7837 9567.409       
172.2868 11074.79       427.2289 213.4627 1.922433 229.5481 4.433105 -16.08540 
4.831994 
1 1 1 -4  -2  14 o 220.0913 2.383214  10125.17       219.1027 9698.168       
293.0347 10666.56       329.9571 214.8616 3.248487 225.3209 3.488005 -10.45923 
4.766429 
1 1 1 -4  -2  15 o 144.6544 2.428336  4374.652       146.4071 4573.602       
222.8069 4223.472       194.2251 147.5274 3.597303 141.7814 3.262925 5.745941 
4.856673 
1 1 1 -4  -2  16 o 116.6878 2.226550  2860.455       109.0622 2895.648       
155.8613 2826.691       152.6628 117.3904 3.162472 115.9852 3.135103 1.405190 
4.453100 
1 1 1 -4  -2  17 o 62.87292 2.452091  823.5798       61.67294 855.4011       
105.4492 807.0359       76.03292 63.77418 3.938396 61.97165 2.922333 1.802525 
4.904181 
1 1 1 -4  -2  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -2  19 o 144.4543 4.767122  4399.952       289.1117 4399.952       
289.1117 0.000000       0.000000 144.4543 4.767122 ?        ?        ? ? 
1 1 1 -4  -2  20 o 72.36642 2.679388  1090.987       80.85327 1207.892       
123.4470 1003.163       106.9968 75.71766 3.883330 69.01520 3.692728 6.702461 
5.358777 
1 1 1 -4  -2  21 o 158.6055 3.620442  5306.000       240.7376 5551.499       
352.1059 5090.505       329.8879 162.0299 5.176059 155.1810 5.063478 6.848923 
7.240883 
1 1 1 -4  -2  22 o 60.11757 2.837838  761.2590       71.59243 788.0529       
103.1001 736.3085       99.49039 61.13799 4.016695 59.09715 4.009920 2.040836 
5.675675 
1 1 1 -4  -2  23 o 121.9699 2.999154  3143.153       153.3536 2992.256       
218.9305 3288.512       214.8757 119.0715 4.379452 124.8684 4.098792 -5.796936 
5.998307 
1 1 1 -4  -2  24 o 86.08032 2.616979  1571.443       94.02489 1446.337       
136.8222 1683.394       129.4282 82.78961 3.936423 89.37103 3.449477 -6.581413 
5.233958 
1 1 1 -4  -2  25 o 67.23302 2.897754  953.6766       81.43779 1084.031       
118.1938 835.8558       112.3678 71.61656 3.930992 62.84949 4.258545 8.767071 
5.795507 
1 1 1 -4  -2  26 f 124.5377 3.016691  3285.845       156.5600 3313.840       
236.6376 3264.052       208.7870 124.9348 4.511506 124.1406 4.005997 0.7941895 
6.033382 
1 1 1 -4  -2  27 o 213.4939 4.165074  9859.374       370.0219 10375.13       
500.0837 9235.385       550.0590 220.0935 5.411986 206.8943 6.332597 13.19920 
8.330149 
1 1 1 -4  -2  28 o 123.2226 2.821013  3230.135       145.3646 3259.907       
215.7592 3205.386       196.7118 123.6690 4.155560 122.7763 3.816251 0.8926392 
5.642025 
1 1 1 -4  -2  29 o 96.72103 2.755227  1994.604       111.7568 1928.057       
153.6834 2069.287       162.8069 95.03069 3.851981 98.41137 3.940474 -3.380676 
5.510453 
1 1 1 -4  -2  30 o 31.28389 4.903395  226.8204       66.01827 126.8945       
92.47622 330.6775       94.27773 23.80474 7.912832 38.76304 5.793118 -14.95830 
9.806789 
1 1 1 -4  -2  31 o 113.4745 2.964364  2709.222       134.0156 2550.839       
163.3460 3035.370       234.4024 109.0137 3.569016 117.9352 4.734125 -8.921471 
5.928728 
1 1 1 -4  -2  32 o 52.46961 3.270039  593.4741       71.32682 527.6025       
93.25629 686.3258       110.7195 49.07240 4.526494 55.86682 4.720537 -6.794418 
6.540077 
1 1 1 -4  -2  33 o 17.94327 5.184140  33.23362       62.19189 -5.208074      
80.13538 91.45399       98.61898 14.91688 6.576100 20.96965 8.015993 -6.052777 
10.36828 
1 1 1 -4  -2  34 o 24.20657 5.493765  147.2494       69.84452 220.3440       
94.53594 59.39708       103.6409 29.27776 7.618781 19.13538 7.917070 10.14238 
10.98753 
1 1 1 -4  -2  35 o 65.71954 3.434439  958.9904       90.60899 875.1816       
111.0344 1126.052       156.7657 62.27362 4.246925 69.16547 5.398621 -6.891842 
6.868878 
1 1 1 -4  -1  1  o 404.0745 4.186097  33761.37       630.3693 33110.63       
734.3286 35584.01       1228.954 396.9581 4.406226 411.1909 7.118905 -14.23279 
8.372194 
1 1 1 -4  -1  2  o 473.6394 4.357907  47318.64       847.6851 46518.27       
1340.671 47851.73       1094.159 470.1950 6.791493 477.0839 5.462695 -6.888916 
8.715814 
1 1 1 -4  -1  3  o 268.9781 2.349551  14920.40       214.9515 15668.09       
478.2298 14731.11       240.6280 273.0809 4.171252 264.8753 2.163843 8.205566 
4.699102 
1 1 1 -4  -1  4  o 388.9818 4.107925  31846.63       661.7974 31631.59       
1021.645 32002.11       868.6938 387.7937 6.275094 390.1700 5.303151 -2.376251 
8.215851 
1 1 1 -4  -1  5  o 237.3691 3.231943  11793.79       320.9249 12364.06       
478.5652 11327.77       432.6179 242.5557 4.699489 232.1825 4.438088 10.37320 
6.463886 
1 1 1 -4  -1  6  o 242.6904 2.371929  12142.34       207.1094 11934.25       
236.9603 12815.68       426.2567 238.4025 2.367478 246.9783 4.110868 -8.575775 
4.743858 
1 1 1 -4  -1  7  o 184.1693 2.578017  7146.870       196.8725 6980.306       
301.2811 7270.994       260.0800 182.2804 3.936888 186.0582 3.329503 -3.777817 
5.156033 
1 1 1 -4  -1  8  o 179.8936 2.381441  6792.301       179.7806 6634.095       
249.7446 6962.454       259.0043 177.7217 3.347162 182.0655 3.388444 -4.343796 
4.762882 
1 1 1 -4  -1  9  o 403.1079 5.986219  34201.66       1009.489 33810.91       
1367.416 34669.72       1496.576 400.6389 8.129590 405.5769 8.789144 -4.938080 
11.97244 
1 1 1 -4  -1  10 o 219.4570 2.245802  10089.76       206.0628 9848.695       
277.5949 10385.61       307.5327 216.5493 3.053345 222.3647 3.294175 -5.815353 
4.491604 
1 1 1 -4  -1  11 o 260.4713 3.209898  14336.43       335.7465 13986.42       
560.5649 14532.23       419.2683 257.9342 5.176522 263.0084 3.797025 -5.074158 
6.419796 
1 1 1 -4  -1  12 o 296.0356 4.168914  18437.44       506.0325 18414.31       
807.3055 18452.40       649.4534 295.8190 6.500292 296.2523 5.221646 
-0.4332581     8.337829 
1 1 1 -4  -1  13 o 191.6622 2.202543  7767.481       165.5966 7863.162       
201.7290 7569.794       289.9652 193.5048 2.483119 189.8195 3.638531 3.685349 
4.405087 
1 1 1 -4  -1  14 o 272.9478 2.574223  15692.39       291.8442 15934.92       
387.2013 15373.38       444.0808 275.4145 3.348660 270.4812 3.910624 4.933258 
5.148447 
1 1 1 -4  -1  15 o 362.7894 5.626426  27765.15       856.8336 27687.14       
1221.781 27840.65       1201.954 362.2709 8.033057 363.3078 7.880144 -1.036896 
11.25285 
1 1 1 -4  -1  16 o 315.4701 4.370700  20959.87       574.1513 20926.32       
764.4386 21003.28       869.6415 315.2507 5.775739 315.6894 6.561472 
-0.4386902     8.741400 
1 1 1 -4  -1  17 o 68.06646 2.280824  976.7325       64.29639 954.6743       
98.84209 992.9128       84.65514 67.39127 3.493489 68.74165 2.933287 -1.350372 
4.561648 
1 1 1 -4  -1  18 o 196.8810 4.716727  8123.729       388.0799 7533.083       
519.2600 8871.091       584.0997 188.8606 6.548842 204.9014 6.789897 -16.04074 
9.433454 
1 1 1 -4  -1  19 o 93.90263 2.679696  1856.738       105.5861 1798.515       
149.9852 1913.941       148.6662 92.43764 3.864744 95.36761 3.713063 -2.929962 
5.359392 
1 1 1 -4  -1  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  -1  21 o 146.5938 3.327454  4501.252       196.1394 4663.176       
331.2689 4413.846       243.3867 148.4899 5.313797 144.6978 4.006415 3.792053 
6.654908 
1 1 1 -4  -1  22 o 165.1459 3.728085  5729.257       242.8408 5883.211       
425.9726 5655.132       295.5759 166.5704 6.091229 163.7213 4.300162 2.849091 
7.456170 
1 1 1 -4  -1  23 o 205.0984 4.611748  8883.230       371.4502 9073.458       
655.9359 8793.429       450.6765 206.2959 7.573418 203.9008 5.264620 2.395065 
9.223495 
1 1 1 -4  -1  24 o 48.75693 3.451858  501.8504       70.56540 539.6848       
101.9051 466.9958       97.80994 50.52510 4.804074 46.98875 4.958042 3.536358 
6.903717 
1 1 1 -4  -1  25 o 68.99478 2.792632  1005.488       80.87779 1005.535       
115.4872 1005.442       113.3010 68.99228 3.987077 68.99729 3.911315 
-0.5012512E-02 5.585263 
1 1 1 -4  -1  26 o 134.7913 3.060702  3850.229       168.8444 3853.389       
270.7647 3848.218       215.9808 134.6922 4.788183 134.8904 3.813775 
-0.1982727     6.121403 
1 1 1 -4  -1  27 o 117.4774 2.916090  2928.885       143.7866 3003.104       
203.1982 2854.450       203.4921 118.9854 4.067686 115.9695 4.179503 3.015816 
5.832180 
1 1 1 -4  -1  28 o 27.08268 5.391646  165.7512       64.68652 132.8083       
92.06290 197.8734       90.90910 24.66630 7.883753 29.49906 7.357025 -4.832758 
10.78329 
1 1 1 -4  -1  29 o 15.36225 4.813444  -24.91568      62.36844 -52.23792      
91.60036 -1.302430      85.15633 14.65175 6.680397 16.07276 6.931759 -1.421011 
9.626888 
1 1 1 -4  -1  30 o 31.23785 4.924990  225.7683       62.98438 233.0699       
87.59589 217.9524       90.62822 31.83491 6.758261 30.64078 7.165754 1.194132 
9.849980 
1 1 1 -4  -1  31 f 62.50011 3.161072  846.7599       82.91927 843.3256       
115.7222 850.3838       118.8724 62.39310 4.417749 62.60712 4.522498 
-0.2140198     6.322143 
1 1 1 -4  -1  32 o 60.31242 3.372426  800.6010       85.03838 834.3743       
116.8373 762.5551       124.0077 61.81140 4.502295 58.81344 5.022188 2.997955 
6.744852 
1 1 1 -4  -1  33 o 62.70216 3.054406  858.6889       79.56714 839.7156       
104.7793 884.5334       122.2889 62.06485 4.021155 63.33947 4.598684 -1.274628 
6.108812 
1 1 1 -4  -1  34 o 40.96888 4.174092  373.4729       70.45450 310.5792       
89.93191 473.4099       113.3635 36.70964 5.835186 45.22811 5.970157 -8.518467 
8.348184 
1 1 1 -4  -1  35 o 39.79687 5.122908  398.5148       83.12405 327.2608       
112.4926 484.2136       123.3691 35.13826 7.828443 44.45547 6.610010 -9.317211 
10.24582 
1 1 1 -4  0   1  o 514.4192 6.081882  54262.72       934.0176 57916.30       
2460.695 53647.72       1009.573 523.5947 11.19396 505.2437 4.759462 18.35101 
12.16376 
1 1 1 -4  0   2  o 53.45301 1.406487  599.8906       31.55556 600.4276       
45.14890 599.3779       44.12144 53.47627 2.010977 53.42974 1.966924 
0.4652786E-01  2.812973 
1 1 1 -4  0   3  f 101.9782 1.648743  2148.971       69.61017 1989.797       
89.95723 2386.529       109.8970 97.34786 2.201054 106.6086 2.455357 -9.260742 
3.297487 
1 1 1 -4  0   4  o 68.12305 1.313662  941.6307       36.90584 799.2069       
47.15359 1166.825       59.29287 61.69763 1.820402 74.54846 1.894457 -12.85083 
2.627324 
1 1 1 -4  0   5  o 75.27943 1.418073  1167.025       44.36112 1029.201       
57.94839 1362.136       68.94771 70.01364 1.971423 80.54521 2.038925 -10.53157 
2.836146 
1 1 1 -4  0   6  o 140.8338 1.592715  4179.402       92.67941 4079.047       
143.5844 4251.074       121.3422 139.3760 2.453806 142.2915 2.031205 -2.915527 
3.185429 
1 1 1 -4  0   7  o 153.6270 1.786009  4682.206       105.6591 4312.728       
124.3094 5643.924       200.5549 143.3191 2.065956 163.9349 2.913955 -20.61586 
3.572017 
1 1 1 -4  0   8  f 97.24435 1.802135  1953.734       72.46179 2164.798       
114.9175 1814.427       93.36119 101.5319 2.695905 92.95677 2.392249 8.575172 
3.604270 
1 1 1 -4  0   9  o 197.3179 2.286929  8094.634       182.1370 7885.947       
226.7312 8474.325       305.8289 193.7825 2.786877 200.8534 3.626774 -7.070892 
4.573858 
1 1 1 -4  0   10 o 390.3813 3.965255  32050.09       619.6553 32025.12       
1048.126 32063.51       768.3046 390.1662 6.398602 390.5964 4.685179 
-0.4302063     7.930511 
1 1 1 -4  0   11 o 732.4059 7.184711  112819.1       1957.276 112337.3       
2286.228 114141.3       3787.418 730.4343 7.455202 734.3776 12.28415 -3.943237 
14.36942 
1 1 1 -4  0   12 o 36.51228 2.446540  281.3991       37.22369 241.6942       
52.60873 321.2054       52.67584 33.91883 3.694350 39.10572 3.208427 -5.186890 
4.893080 
1 1 1 -4  0   13 o 557.8456 7.839249  65282.63       1805.177 63060.45       
2330.500 68615.70       2854.186 546.4006 10.15919 569.2906 11.94179 -22.88995 
15.67850 
1 1 1 -4  0   14 o 302.0050 4.064603  19121.49       497.2384 18940.58       
624.3696 19435.17       822.1664 300.1418 4.954917 303.8682 6.444594 -3.726410 
8.129206 
1 1 1 -4  0   15 o 183.7027 2.677902  7064.047       204.1767 6916.034       
267.8997 7269.165       315.3727 181.4291 3.517113 185.9763 4.039127 -4.547272 
5.355804 
1 1 1 -4  0   16 o 141.4056 2.518076  4203.615       149.4291 4128.091       
213.1422 4276.616       209.5530 140.1534 3.622321 142.6578 3.498803 -2.504440 
5.036152 
1 1 1 -4  0   17 o 181.5166 5.505025  6938.510       419.5219 6938.510       
419.5219 0.000000       0.000000 181.5166 5.505025 ?        ?        ? ? 
1 1 1 -4  0   18 o 211.4625 3.096520  9392.368       271.7934 9529.422       
418.3464 9292.268       357.5273 212.7565 4.683541 210.1685 4.051937 2.587967 
6.193040 
1 1 1 -4  0   19 o 56.61196 2.437283  666.0176       57.02832 718.5855       
90.22903 631.0491       73.59100 58.44207 3.677408 54.78185 3.199699 3.660225 
4.874567 
1 1 1 -4  0   20 o 127.7156 3.119097  3443.583       166.9420 3312.677       
240.4147 3565.480       231.9936 125.3490 4.568370 130.0822 4.247947 -4.733223 
6.238194 
1 1 1 -4  0   21 o 137.5830 4.390184  3992.888       253.5867 0.000000       
0.000000 3992.888       253.5867 ?        ?        137.5830 4.390184 ? ? 
1 1 1 -4  0   22 o 140.1287 2.838945  4124.278       166.6561 4387.349       
245.7670 3900.335       226.7540 144.2428 4.058361 136.0147 3.970913 8.228104 
5.677890 
1 1 1 -4  0   23 o 187.5990 3.520891  7424.895       275.8247 7552.802       
413.5022 7322.358       370.2260 188.9928 5.211391 186.2052 4.735831 2.787582 
7.041782 
1 1 1 -4  0   24 o 139.0372 3.373306  4034.710       192.5224 4317.790       
310.8218 3858.501       245.2275 142.8634 5.182169 135.2111 4.319942 7.652313 
6.746613 
1 1 1 -4  0   25 o 168.8683 4.221082  6055.325       294.1003 6108.735       
461.3780 6018.769       381.7001 169.2978 6.491226 168.4389 5.397604 0.8588715 
8.442164 
1 1 1 -4  0   26 o 230.1302 3.867475  11231.29       361.7283 11101.57       
456.4202 11450.39       593.1641 228.7449 4.752635 231.5154 6.102615 -2.770477 
7.734950 
1 1 1 -4  0   27 o 136.3983 3.414216  3959.039       195.2736 3959.061       
283.2243 3959.018       269.5966 136.3525 4.947531 136.4440 4.706316 
-0.9153748E-01 6.828431 
1 1 1 -4  0   28 o 25.98068 5.654253  149.5322       67.68704 140.0760       
99.11037 157.7981       92.66248 25.40554 8.185989 26.55583 7.802042 -1.150295 
11.30851 
1 1 1 -4  0   29 o 101.3091 2.920480  2188.444       124.0434 2207.567       
180.5848 2171.361       170.6814 101.6884 4.229908 100.9297 4.027987 0.7586823 
5.840959 
1 1 1 -4  0   30 o 120.7372 2.890870  3119.420       146.4659 3025.567       
203.3320 3220.637       211.1578 118.8595 4.074675 122.6150 4.101895 -3.755554 
5.781740 
1 1 1 -4  0   31 o 41.06606 4.665595  389.9918       74.41793 567.5854       
108.1541 230.3114       102.5547 51.01739 5.049472 31.11473 7.846907 19.90266 
9.331190 
1 1 1 -4  0   32 o 96.48521 2.916991  2020.198       117.8695 1929.505       
170.0794 2104.010       163.5006 94.27135 4.297273 98.69906 3.945730 -4.427704 
5.833982 
1 1 1 -4  0   33 o 26.47593 5.876185  169.7044       71.94387 147.9035       
93.91727 200.6658       111.9227 24.72270 7.968910 28.22917 8.637979 -3.506475 
11.75237 
1 1 1 -4  0   34 o 62.67731 3.254903  838.4883       83.39720 735.8821       
104.4543 1018.899       138.5067 57.79845 4.304586 67.55618 4.883452 -9.757725 
6.509805 
1 1 1 -4  0   35 o 36.65827 5.505312  346.4586       82.23408 405.0111       
119.7517 294.2078       113.1241 40.00627 7.408230 33.31028 8.145672 6.695995 
11.01062 
1 1 1 -4  0   36 f 14.90564 4.934089  -59.72895      78.23959 -110.2845      
110.1363 -8.223852      111.1658 13.51827 6.517043 16.29301 7.410067 -2.774737 
9.868178 
1 1 1 -4  1   1  o 122.4272 2.242040  2923.033       93.46833 3540.947       
214.4699 2778.155       103.8493 129.8267 3.934805 115.0278 2.150413 14.79898 
4.484079 
1 1 1 -4  1   2  o 431.0948 2.923934  39029.36       529.0806 38264.50       
738.7786 39834.67       758.0596 426.7619 4.123345 435.4278 4.146755 -8.665863 
5.847867 
1 1 1 -4  1   3  o 312.5027 2.045390  20509.50       268.3415 20274.03       
379.4639 20745.04       379.5204 310.7077 2.908972 314.2977 2.876172 -3.590027 
4.090780 
1 1 1 -4  1   4  o 306.3409 3.514313  19722.79       450.2652 19705.40       
610.5940 19743.53       666.6323 306.2096 4.749576 306.4722 5.181032 
-0.2626343     7.028625 
1 1 1 -4  1   5  o 530.8727 6.268880  59389.57       1394.227 59278.02       
1909.646 59516.93       2040.304 530.4071 8.575601 531.3384 9.146283 
-0.9312744     12.53776 
1 1 1 -4  1   6  o 170.8277 2.317228  6131.402       166.0959 6054.884       
238.0728 6203.967       231.8413 169.7871 3.339843 171.8683 3.213040 -2.081161 
4.634456 
1 1 1 -4  1   7  o 91.43329 1.538556  1703.116       57.18869 1960.299       
96.01648 1561.717       71.19473 96.62163 2.366968 86.24495 1.966234 10.37668 
3.077112 
1 1 1 -4  1   8  f 178.9854 2.063321  6589.897       148.1524 6283.313       
182.2304 7187.586       254.4393 172.9814 2.509241 184.9894 3.276109 -12.00804 
4.126643 
1 1 1 -4  1   9  o 282.2378 2.552411  16398.41       286.4680 17762.61       
500.6380 15734.30       349.3043 290.7628 4.101153 273.7127 3.039696 17.05017 
5.104822 
1 1 1 -4  1   10 o 132.6016 2.009225  3631.979       110.0514 3378.200       
141.4645 4020.999       175.1481 126.8345 2.656631 138.3688 3.015006 -11.53436 
4.018451 
1 1 1 -4  1   11 o 109.8951 2.050985  2535.217       94.60678 2482.024       
132.1222 2591.190       135.5313 108.7127 2.894788 111.0775 2.906261 -2.364807 
4.101969 
1 1 1 -4  1   12 o 256.7827 3.453965  13899.90       368.4812 14151.23       
489.6043 13571.57       559.6055 259.4938 4.494065 254.0715 5.246226 5.422241 
6.907930 
1 1 1 -4  1   13 o 233.9120 3.417345  11505.84       335.4321 11105.55       
474.9273 11904.26       473.8200 229.8451 4.921676 237.9790 4.742373 -8.133942 
6.834691 
1 1 1 -4  1   14 o 213.7704 3.241870  9583.436       288.4383 9770.499       
439.5982 9442.019       382.2205 215.5806 4.856991 211.9602 4.295173 3.620392 
6.483739 
1 1 1 -4  1   15 o 216.8794 3.224221  9888.847       293.5570 9762.574       
415.3576 10014.87       414.9472 215.4938 4.591012 218.2649 4.528245 -2.771133 
6.448442 
1 1 1 -4  1   16 o 152.7328 2.791603  4814.971       171.1501 5199.241       
292.9180 4615.776       210.8949 157.2507 4.436848 148.2149 3.389184 9.035782 
5.583206 
1 1 1 -4  1   17 o 286.1082 9.055165  17323.24       1087.691 0.000000       
0.000000 17323.24       1087.691 ?        ?        286.1082 9.055165 ? ? 
1 1 1 -4  1   18 o 268.2524 4.318840  15185.77       484.4510 15048.99       
716.1495 15301.16       657.7983 267.0808 6.386782 269.4241 5.815371 -2.343262 
8.637680 
1 1 1 -4  1   19 o 84.88402 2.276762  1495.577       78.63019 1591.910       
129.9411 1439.925       98.76514 86.99794 3.557613 82.77010 2.842178 4.227837 
4.553524 
1 1 1 -4  1   20 o 78.07885 2.179779  1237.825       68.04504 1425.199       
118.9262 1146.630       82.96751 82.30211 3.441816 73.85559 2.675751 8.446518 
4.359558 
1 1 1 -4  1   21 o 128.9866 2.502556  3522.368       129.1301 3438.594       
217.3961 3568.039       160.5146 127.7345 4.053820 130.2387 2.935590 -2.504219 
5.005112 
1 1 1 -4  1   22 o 83.78546 2.876075  1485.006       100.6747 1425.354       
148.1337 1536.208       137.2406 82.19540 4.292670 85.37553 3.828866 -3.180130 
5.752150 
1 1 1 -4  1   23 o 18.81911 7.535489  37.45641       90.23955 37.45641       
90.23955 0.000000       0.000000 18.81911 7.535489 ?        ?        ? ? 
1 1 1 -4  1   24 o 84.63791 2.878344  1513.505       101.6224 1485.073       
151.8066 1536.592       136.7944 83.89267 4.310104 85.38314 3.816079 -1.490471 
5.756688 
1 1 1 -4  1   25 o 63.95808 3.189019  855.0863       85.14721 984.5161       
127.9742 752.2774       114.0566 68.25768 4.465724 59.65848 4.553753 8.599205 
6.378037 
1 1 1 -4  1   26 o 89.39458 2.970126  1694.684       110.9042 1644.273       
163.9421 1737.218       150.5916 88.12727 4.430995 90.66190 3.956371 -2.534630 
5.940251 
1 1 1 -4  1   27 o 38.61293 4.191932  323.5430       65.68065 384.4368       
94.84335 267.4279       91.04591 42.46334 5.320026 34.76252 6.479699 7.700813 
8.383864 
1 1 1 -4  1   28 o 101.8838 2.720994  2201.368       116.3615 2256.067       
164.5640 2146.674       164.5561 103.1625 3.799565 100.6051 3.895964 2.557381 
5.441988 
1 1 1 -4  1   29 f 120.0209 3.013021  3062.876       151.0828 3160.945       
226.5226 2984.294       202.7717 121.6683 4.434607 118.3736 4.080127 3.294769 
6.026042 
1 1 1 -4  1   30 o 116.4394 3.229257  2908.893       157.7261 2814.324       
217.5716 3013.640       228.9823 114.4709 4.527184 118.4079 4.606194 -3.937042 
6.458515 
1 1 1 -4  1   31 o 66.30028 3.105955  947.1974       86.16011 846.0927       
119.8224 1055.443       123.9816 62.57051 4.561308 70.03004 4.216905 -7.459522 
6.211910 
1 1 1 -4  1   32 o 29.85439 5.488111  208.4507       70.45690 150.6275       
94.08144 282.2952       106.3193 25.27452 7.957573 34.43425 7.560058 -9.159733 
10.97622 
1 1 1 -4  1   33 o 87.60997 2.824655  1656.379       103.5855 1839.477       
152.5226 1499.625       141.1245 92.11587 3.943853 83.10406 4.044839 9.011803 
5.649310 
1 1 1 -4  1   34 o 57.88121 3.593033  733.4818       85.79076 670.2078       
109.8047 832.6297       137.4517 54.96059 4.758727 60.80182 5.384613 -5.841232 
7.186065 
1 1 1 -4  1   35 f 36.31413 5.625928  349.7940       87.76845 486.6264       
121.9248 202.6274       126.4452 45.35903 6.402498 27.26923 9.252690 18.08980 
11.25186 
1 1 1 -4  1   36 o 24.59604 5.894803  160.7749       79.23766 70.05524       
111.5585 253.1408       112.5662 19.35116 8.121985 29.84093 8.545652 -10.48977 
11.78961 
1 1 1 -4  2   1  o 258.6117 4.276878  14132.81       462.0763 12819.25       
663.6027 15369.13       643.7965 246.8619 6.402877 270.3615 5.671852 -23.49957 
8.553756 
1 1 1 -4  2   2  o 221.9717 2.062448  10266.98       188.2917 9963.437       
241.3854 10738.71       300.9191 217.8227 2.639544 226.1208 3.169789 -8.298111 
4.124895 
1 1 1 -4  2   3  o 86.36619 1.420772  1554.608       51.08224 1483.161       
67.35448 1651.343       78.37356 84.04839 1.908790 88.68398 2.104968 -4.635590 
2.841543 
1 1 1 -4  2   4  o 220.7137 2.812185  10224.05       260.4150 10507.69       
376.7254 9964.485       360.3828 223.6408 4.012313 217.7866 3.941432 5.854279 
5.624371 
1 1 1 -4  2   5  o 97.04214 1.355497  1975.453       55.18855 2023.029       
79.83017 1931.901       76.38084 98.16010 1.937105 95.92419 1.896607 2.235909 
2.710995 
1 1 1 -4  2   6  o 333.0156 3.889660  23312.05       540.7476 23350.55       
809.1627 23280.97       726.8997 333.2369 5.783673 332.7943 5.202591 0.4426270 
7.779321 
1 1 1 -4  2   7  o 238.8552 2.727568  11893.17       271.3989 11294.57       
358.5189 12696.61       415.3547 231.8780 3.682762 245.8325 4.024399 -13.95450 
5.455137 
1 1 1 -4  2   8  o 165.1472 2.109581  5731.025       145.8607 5771.983       
199.3756 5683.860       213.9512 165.7854 2.864487 164.5090 3.097748 1.276321 
4.219162 
1 1 1 -4  2   9  o 187.7121 2.870329  7399.900       226.1154 7300.971       
314.5725 7505.656       325.2455 186.4161 4.019373 189.0080 4.098756 -2.591888 
5.740659 
1 1 1 -4  2   10 o 72.85532 1.655850  1118.434       50.46166 1024.483       
72.15034 1208.395       70.60198 69.84873 2.460373 75.86191 2.216737 -6.013176 
3.311700 
1 1 1 -4  2   11 o 333.7641 2.303223  23334.39       320.0530 22922.51       
424.2903 23878.15       487.5136 330.3674 3.059053 337.1609 3.444059 -6.793488 
4.606447 
1 1 1 -4  2   12 o 88.85335 1.713443  1654.576       63.32425 1681.280       
96.70995 1634.534       83.78275 89.47784 2.574404 88.22887 2.261856 1.248970 
3.426887 
1 1 1 -4  2   13 o 233.4824 2.094248  11413.63       202.2268 11247.07       
263.2614 11653.39       315.8521 231.4206 2.709606 235.5441 3.193983 -4.123489 
4.188495 
1 1 1 -4  2   14 f 275.3085 3.364011  15926.15       388.0747 16043.69       
567.6924 15823.04       531.7136 276.2503 4.894759 274.3668 4.616016 1.883575 
6.728021 
1 1 1 -4  2   15 o 118.6881 2.138202  2907.653       94.75107 3071.050       
184.3038 2848.952       110.4674 120.8987 3.631062 116.4774 2.258986 4.421318 
4.276404 
1 1 1 -4  2   16 o 478.8944 18.99395  49525.00       3818.862 49525.00       
3818.862 0.000000       0.000000 478.8944 18.99395 ?        ?        ? ? 
1 1 1 -4  2   17 o 210.1685 2.813664  9254.146       241.1561 9420.070       
392.2485 9153.320       305.7720 211.6413 4.414504 208.6957 3.489838 2.945663 
5.627327 
1 1 1 -4  2   18 o 182.0719 2.736604  7017.450       196.1499 6836.020       
341.0423 7107.134       239.7777 180.2451 4.506773 183.8987 3.105640 -3.653595 
5.473208 
1 1 1 -4  2   19 o 162.9349 3.231316  5602.517       216.5093 5526.523       
341.3758 5653.654       280.0360 161.9570 5.020582 163.9129 4.069320 -1.955856 
6.462632 
1 1 1 -4  2   20 o 90.12955 2.031277  1720.028       75.05016 1649.207       
118.5030 1767.458       96.97770 88.55354 3.187458 91.70557 2.518821 -3.152031 
4.062554 
1 1 1 -4  2   21 o 78.06547 2.191865  1289.070       70.90108 1236.047       
108.1873 1328.986       93.86878 76.63555 3.362538 79.49538 2.812550 -2.859833 
4.383731 
1 1 1 -4  2   22 o 113.6107 2.363785  2681.964       110.6626 2898.063       
176.8904 2543.002       141.8488 117.2954 3.592067 109.9260 3.073592 7.369347 
4.727570 
1 1 1 -4  2   23 o 184.9348 4.243516  7250.603       329.2579 7278.976       
457.9191 7220.232       473.7673 185.3438 5.884799 184.5258 6.115460 0.8180695 
8.487032 
1 1 1 -4  2   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  2   25 o 73.85310 2.928426  1155.612       90.39857 1087.348       
131.6297 1216.549       124.3651 71.75851 4.369197 75.94769 3.900363 -4.189171 
5.856853 
1 1 1 -4  2   26 o 119.6054 3.214351  3039.499       156.9071 2978.400       
252.1262 3078.121       200.4561 118.5001 5.067811 120.7107 3.955438 -2.210655 
6.428701 
1 1 1 -4  2   27 o 69.11124 2.985312  998.4794       84.55017 1072.734       
137.2449 953.0607       107.3374 71.09519 4.598086 67.12730 3.808667 3.967896 
5.970623 
1 1 1 -4  2   28 o 137.8052 3.426310  4046.283       198.2288 4049.339       
281.0154 4043.257       279.6651 137.8528 4.855521 137.7576 4.835527 
0.9515381E-01  6.852620 
1 1 1 -4  2   29 o 112.0463 2.673371  2666.590       125.7147 2696.011       
176.1091 2636.020       179.5146 112.6964 3.722140 111.3963 3.838400 1.300163 
5.346741 
1 1 1 -4  2   30 o 136.6604 3.396804  4015.123       194.8742 4028.067       
277.6147 4002.549       273.6161 136.8588 4.831598 136.4620 4.775853 0.3967743 
6.793608 
1 1 1 -4  2   31 o 83.36901 2.856004  1506.214       98.72472 1627.678       
133.3515 1358.897       146.8596 87.29392 3.638607 79.44410 4.403132 7.849823 
5.712008 
1 1 1 -4  2   32 o 42.85655 4.196065  407.2460       75.42498 394.3556       
103.9044 421.6046       109.6624 42.16619 5.869358 43.54691 5.998208 -1.380718 
8.392131 
1 1 1 -4  2   33 o 33.42133 5.153513  265.6425       70.09194 246.9509       
94.65488 288.3352       104.2947 32.14910 7.193981 34.69357 7.381154 -2.544472 
10.30703 
1 1 1 -4  2   34 o 53.53254 4.006099  640.2156       89.25908 594.2844       
117.3246 703.3323       137.5330 51.43130 5.433536 55.63379 5.888294 -4.202488 
8.012198 
1 1 1 -4  2   35 o 18.07221 5.585572  17.75298       80.25416 17.01363       
113.4702 18.49300       113.5228 18.04337 7.892329 18.10105 7.906048 
-0.5768585E-01 11.17114 
1 1 1 -4  2   36 o 19.53523 5.801585  64.42637       80.97268 34.33324       
110.7669 98.96468       118.6661 18.01234 7.838600 21.05813 8.555109 -3.045788 
11.60317 
1 1 1 -4  3   1  o 196.1293 3.045203  8265.209       234.4686 7551.651       
402.7207 8631.114       288.3859 189.5454 5.060712 202.7132 3.388544 -13.16774 
6.090405 
1 1 1 -4  3   2  o 322.0409 3.016508  21638.60       400.3573 21025.77       
515.5446 22569.66       635.4584 316.3624 3.881526 327.7195 4.618554 -11.35709 
6.033016 
1 1 1 -4  3   3  o 74.03210 1.550456  1122.956       47.60276 947.6678       
62.05368 1373.616       74.20529 67.18156 2.200080 80.88266 2.185247 -13.70110 
3.100912 
1 1 1 -4  3   4  o 435.1692 6.078289  39853.71       1109.139 38978.79       
1524.771 40836.89       1616.350 430.1319 8.443527 440.2065 8.745811 -10.07465 
12.15658 
1 1 1 -4  3   5  o 203.6821 2.029915  8703.649       173.4871 8451.357       
240.4915 8977.401       250.5106 200.6081 2.855436 206.7562 2.885949 -6.148117 
4.059830 
1 1 1 -4  3   6  o 286.0109 2.054303  17105.05       243.3647 16741.72       
317.5419 17622.24       378.8594 282.3553 2.678713 289.6665 3.115307 -7.311218 
4.108606 
1 1 1 -4  3   7  o 219.4231 2.866842  10092.70       261.2959 9963.428       
344.2545 10268.39       401.3344 217.7820 3.765119 221.0641 4.324234 -3.282150 
5.733683 
1 1 1 -4  3   8  o 130.7688 1.745430  3593.771       95.73385 3506.335       
137.3825 3676.309       133.4781 129.2202 2.532341 132.3174 2.402781 -3.097168 
3.490861 
1 1 1 -4  3   9  o 263.0720 2.635445  14500.09       289.0164 14229.55       
384.7892 14850.27       437.7809 260.2742 3.521379 265.8698 3.922012 -5.595581 
5.270891 
1 1 1 -4  3   10 o 62.83707 1.745304  830.5563       45.94299 802.8583       
66.52322 855.8151       63.52670 61.83292 2.562563 63.84122 2.370152 -2.008297 
3.490608 
1 1 1 -4  3   11 o 125.5432 1.579862  3139.234       69.98949 3006.287       
78.95113 3627.151       151.2484 119.6636 1.571511 131.4227 2.741205 -11.75919 
3.159723 
1 1 1 -4  3   12 o 565.4694 5.771809  67136.79       1365.842 64639.77       
1845.840 70158.50       2030.526 553.9460 7.936840 576.9928 8.382223 -23.04681 
11.54362 
1 1 1 -4  3   13 o 315.0053 4.026018  20497.55       503.6585 19766.61       
613.9349 22002.03       880.7958 306.6583 4.768576 323.3524 6.488141 -16.69412 
8.052036 
1 1 1 -4  3   14 o 335.7553 3.251809  23671.64       430.6949 23626.06       
525.5175 23764.88       751.6638 335.3386 3.732713 336.1721 5.325778 
-0.8334351     6.503619 
1 1 1 -4  3   15 o 192.8387 2.946057  7834.814       229.8672 7741.886       
378.4651 7889.133       289.3517 191.8996 4.697566 193.7777 3.556668 -1.878159 
5.892114 
1 1 1 -4  3   16 o 82.08506 3.881636  1416.076       133.7697 0.000000       
0.000000 1416.076       133.7697 ?        ?        82.08506 3.881636 ? ? 
1 1 1 -4  3   17 f 138.6543 2.214492  3975.322       120.7211 4220.328       
214.8827 3862.331       145.9266 141.7058 3.611894 135.6028 2.563225 6.102951 
4.428984 
1 1 1 -4  3   18 o 132.9317 2.515615  3564.883       125.7032 4051.759       
245.8078 3392.466       146.2771 138.7915 4.218459 127.0719 2.741876 11.71957 
5.031230 
1 1 1 -4  3   19 o 226.3777 4.200122  10777.83       382.8661 10928.17       
641.3542 10694.59       477.2303 227.4448 6.716501 225.3107 5.045070 2.134094 
8.400245 
1 1 1 -4  3   20 o 121.0179 2.300045  3071.032       105.3003 3100.976       
198.3006 3059.273       124.2682 121.3786 3.891373 120.6571 2.453172 0.7214890 
4.600091 
1 1 1 -4  3   21 o 150.7621 2.388565  4827.845       148.0178 4549.722       
230.6874 5022.478       192.9809 146.9945 3.738038 154.5297 2.974565 -7.535217 
4.777129 
1 1 1 -4  3   22 o 140.9668 2.244333  4135.543       130.1944 4412.332       
208.5227 3958.705       166.6740 144.7579 3.431089 137.1757 2.894088 7.582230 
4.488666 
1 1 1 -4  3   23 o 159.7688 2.247288  5346.468       146.5868 5486.813       
238.1632 5260.877       185.9895 161.3991 3.514752 158.1385 2.801378 3.260559 
4.494575 
1 1 1 -4  3   24 o 173.4769 2.649219  6183.270       157.3468 6617.046       
348.2855 6072.032       176.3717 177.0187 4.686379 169.9352 2.472105 7.083511 
5.298439 
1 1 1 -4  3   25 f 54.88866 4.414222  636.1082       101.7222 0.000000       
0.000000 636.1082       101.7222 ?        ?        54.88866 4.414222 ? ? 
1 1 1 -4  3   26 o 18.30213 5.358924  20.91447       66.79920 24.53069       
100.8320 18.08605       89.17506 18.94630 7.822140 17.65796 7.327101 1.288338 
10.71785 
1 1 1 -4  3   27 o 112.6889 3.041966  2688.834       143.4139 2396.399       
199.6878 3000.351       206.0999 106.3222 4.473511 119.0556 4.123340 -12.73335 
6.083932 
1 1 1 -4  3   28 o 144.0455 3.157753  4426.413       188.7112 4283.455       
287.2496 4534.962       250.3045 141.8472 4.823474 146.2439 4.076730 -4.396774 
6.315507 
1 1 1 -4  3   29 f 46.67430 3.703001  468.2899       72.30066 429.3213       
103.2213 505.8233       101.3029 44.71321 5.498630 48.63538 4.961242 -3.922173 
7.406002 
1 1 1 -4  3   30 o 74.93376 2.937465  1197.957       92.37344 1222.551       
132.9979 1175.036       128.3952 75.66657 4.186602 74.20096 4.121549 1.465614 
5.874929 
1 1 1 -4  3   31 o 51.77205 3.546545  580.1481       77.06444 561.0300       
108.0719 599.9265       109.9228 50.89109 5.058156 52.65301 4.972622 -1.761925 
7.093090 
1 1 1 -4  3   32 o 29.35288 5.539655  205.9546       70.35291 241.1133       
98.14391 168.7924       100.9015 31.97155 7.443995 26.73422 8.205976 5.237331 
11.07931 
1 1 1 -4  3   33 o 154.5400 3.332067  5225.973       215.3779 5200.544       
317.9568 5247.534       292.7793 153.9108 4.920624 155.1693 4.494234 -1.258530 
6.664134 
1 1 1 -4  3   34 o 69.55735 3.512897  1056.015       101.7962 923.9269       
134.6758 1232.058       155.4778 64.56065 4.968698 74.55405 4.967274 -9.993408 
7.025793 
1 1 1 -4  3   35 o 27.08147 6.025263  189.8590       80.06730 247.3433       
109.2852 123.2489       117.6404 30.99947 8.249698 23.16347 8.783943 7.835999 
12.05053 
1 1 1 -4  3   36 o 21.47301 5.966446  96.53322       81.14516 40.68540       
111.2289 160.0740       118.6427 18.47282 7.943853 24.47320 8.904444 -6.000374 
11.93289 
1 1 1 -4  3   37 o 56.80973 4.234902  784.4267       100.4196 728.9324       
145.4562 834.9630       138.8066 54.38454 6.370564 59.23492 5.581532 -4.850384 
8.469804 
1 1 1 -4  4   1  o 178.5953 3.261334  6731.812       233.2300 6605.708       
392.4460 6800.671       289.9988 177.2669 5.273190 179.9237 3.839096 -2.656799 
6.522667 
1 1 1 -4  4   2  o 565.4869 4.667787  67258.88       1106.336 67562.59       
1613.532 66989.40       1519.858 566.6566 6.782329 564.3173 6.415058 2.339233 
9.335574 
1 1 1 -4  4   3  o 172.1706 1.724812  6217.060       124.0083 6294.209       
185.7402 6155.014       166.5701 173.1306 2.555366 171.2106 2.317329 1.920029 
3.449625 
1 1 1 -4  4   4  o 82.19025 1.449015  1387.906       49.26832 1251.212       
63.42064 1595.961       78.24271 77.19665 1.956831 87.18385 2.137612 -9.987206 
2.898029 
1 1 1 -4  4   5  o 374.1027 2.806220  29304.38       433.6133 29939.65       
680.3118 28869.73       562.7290 377.4804 4.292741 370.7250 3.615501 6.755432 
5.612439 
1 1 1 -4  4   6  o 188.3061 2.151339  7347.498       164.6917 7066.781       
206.5638 7837.293       272.8517 183.4452 2.682064 193.1669 3.364458 -9.721725 
4.302679 
1 1 1 -4  4   7  o 247.5773 2.476204  12833.67       255.7129 12529.50       
340.8946 13225.04       386.6831 244.2413 3.324468 250.9133 3.670731 -6.672058 
4.952409 
1 1 1 -4  4   8  o 279.8536 3.957273  16453.49       464.2799 16228.17       
637.7711 16707.51       677.1815 277.8273 5.467780 281.8799 5.722188 -4.052582 
7.914547 
1 1 1 -4  4   9  o 395.8533 3.654602  32958.58       601.0715 32808.78       
917.4584 33071.23       795.5941 395.0247 5.532013 396.6819 4.777164 -1.657196 
7.309205 
1 1 1 -4  4   10 o 127.6873 2.124513  3400.935       112.6865 3273.386       
147.7498 3578.298       174.2294 124.8484 2.818804 130.5262 3.179397 -5.677834 
4.249026 
1 1 1 -4  4   11 o 248.9763 3.433097  12963.20       355.3320 12580.95       
467.6506 13485.32       546.5560 244.6750 4.552532 253.2777 5.139949 -8.602737 
6.866195 
1 1 1 -4  4   12 o 380.0927 3.427806  30200.46       541.4584 29257.01       
711.7144 31496.85       834.2845 373.1140 4.543445 387.0715 5.133861 -13.95752 
6.855612 
1 1 1 -4  4   13 f 290.3190 3.367948  17752.75       408.0261 18069.26       
550.4390 17366.71       607.9031 293.2199 4.471331 287.4181 5.037805 5.801819 
6.735895 
1 1 1 -4  4   14 o 228.8856 3.749576  11034.78       335.1031 10966.34       
594.8104 11066.60       405.5960 228.2913 6.205978 229.4799 4.209884 -1.188553 
7.499153 
1 1 1 -4  4   15 o 171.1822 6.973046  6171.473       501.1412 6171.473       
501.1412 0.000000       0.000000 171.1822 6.973046 ?        ?        ? ? 
1 1 1 -4  4   16 o 279.5616 3.167289  16475.96       356.3860 16273.57       
593.8750 16589.85       445.5255 278.1541 5.085464 280.9692 3.776895 -2.815033 
6.334578 
1 1 1 -4  4   17 o 51.12844 2.631972  526.5162       55.28785 678.2316       
89.88912 434.1956       70.12001 56.80488 3.769143 45.45201 3.674599 11.35287 
5.263945 
1 1 1 -4  4   18 o 137.2959 2.385545  3957.900       128.1607 3973.074       
227.1619 3950.814       155.2240 137.4577 3.936292 137.1340 2.696091 0.3236847 
4.771091 
1 1 1 -4  4   19 o 99.42939 2.373275  2035.133       94.29628 2217.768       
163.2931 1943.760       115.5005 102.6855 3.787738 96.17332 2.860556 6.512146 
4.746550 
1 1 1 -4  4   20 o 250.6900 3.113077  13387.56       275.8022 12955.16       
569.8075 13519.86       315.1833 247.7883 5.477324 253.5917 2.960392 -5.803345 
6.226154 
1 1 1 -4  4   21 o 170.1374 2.905453  6071.252       202.8620 6225.079       
324.8597 5972.925       259.7276 171.8348 4.503040 168.4400 3.672771 3.394714 
5.810905 
1 1 1 -4  4   22 o 120.8322 2.204487  3060.451       107.9422 3118.301       
178.4119 3027.048       135.5696 121.6913 3.492091 119.9731 2.691532 1.718170 
4.408973 
1 1 1 -4  4   23 o 82.01976 2.220098  1433.823       73.97924 1341.750       
118.7707 1492.190       94.56370 79.81074 3.544615 84.22878 2.674145 -4.418037 
4.440197 
1 1 1 -4  4   24 o 224.4372 3.727841  10615.85       322.5769 10748.09       
588.1036 10558.95       385.7891 225.1050 6.222857 223.7693 4.106487 1.335617 
7.455682 
1 1 1 -4  4   25 o 107.6279 2.178252  2436.366       94.61324 2445.421       
157.3221 2431.236       118.4221 107.7439 3.477908 107.5119 2.623599 0.2320099 
4.356503 
1 1 1 -4  4   26 o 48.79643 4.021774  515.3231       79.41567 356.2154       
111.2636 680.5646       113.3880 40.88525 6.481978 56.70761 4.762628 -15.82236 
8.043549 
1 1 1 -4  4   27 o 63.72274 4.712052  861.2545       126.0618 861.2545       
126.0618 0.000000       0.000000 63.72274 4.712052 ?        ?        ? ? 
1 1 1 -4  4   28 o 117.4976 2.870379  2917.822       140.0546 2979.479       
215.4548 2872.704       184.3069 118.4924 4.330986 116.5027 3.768137 1.989746 
5.740757 
1 1 1 -4  4   29 o 31.06422 5.428295  218.6118       70.30173 227.9507       
103.8720 210.7178       95.49833 31.64797 7.846531 30.48046 7.503165 1.167511 
10.85659 
1 1 1 -4  4   30 o 156.6370 3.123497  5224.047       204.4747 5050.215       
274.5284 5440.637       306.4378 153.8241 4.250929 159.4499 4.577612 -5.625824 
6.246994 
1 1 1 -4  4   31 o 18.88598 5.370819  45.06871       65.24339 52.99839       
89.68285 36.15390       95.09061 19.14780 7.563436 18.62417 7.627398 0.5236301 
10.74164 
1 1 1 -4  4   32 o 77.90005 2.952027  1306.935       96.49535 1312.923       
134.4933 1300.582       138.5261 78.11842 4.100797 77.68168 4.247508 0.4367447 
5.904054 
1 1 1 -4  4   33 o 42.71725 4.720300  417.1426       82.08754 355.4785       
113.2993 485.2781       119.0961 38.89174 7.209516 46.54276 6.094900 -7.651016 
9.440599 
1 1 1 -4  4   34 o 19.26779 5.598949  36.92815       77.06099 101.4741       
105.1550 -37.94715      113.2569 22.04844 8.321256 16.48714 7.493305 5.561291 
11.19790 
1 1 1 -4  4   35 o 43.55531 4.920830  456.8263       86.40307 507.1324       
117.9587 398.5891       126.9173 47.02571 5.974694 40.08490 7.820570 6.940811 
9.841660 
1 1 1 -4  4   36 o 86.04722 3.521237  1670.439       125.0287 1633.495       
162.0342 1724.802       196.5599 85.44267 4.517030 86.65176 5.403044 -1.209091 
7.042474 
1 1 1 -4  4   37 o 17.74962 5.639601  12.26870       88.59344 -24.61004      
131.1109 43.25520       120.1814 16.94188 7.828826 18.55736 8.119721 -1.615479 
11.27920 
1 1 1 -4  5   1  o 120.0031 2.581877  2971.057       114.7590 3139.707       
226.0832 2912.522       133.1937 122.2376 4.405391 117.7686 2.693860 4.468987 
5.163753 
1 1 1 -4  5   2  f 332.6818 4.581324  23114.42       633.2509 22179.75       
830.4304 24413.10       978.8701 324.7452 6.090900 340.6183 6.845074 -15.87305 
9.162647 
1 1 1 -4  5   3  o 137.0255 1.810670  3743.383       93.45600 4395.572       
183.3774 3514.556       108.6206 144.6712 3.019151 129.3798 1.999709 15.29144 
3.621341 
1 1 1 -4  5   4  o 198.6103 1.646708  7846.825       114.9788 7513.138       
129.4944 9089.932       249.9402 189.1719 1.630480 208.0487 2.861490 -18.87674 
3.293416 
1 1 1 -4  5   5  o 181.9622 2.288802  6923.664       174.1278 6640.761       
233.9873 7274.785       260.6770 177.8178 3.134282 186.1066 3.336276 -8.288818 
4.577605 
1 1 1 -4  5   6  o 178.7928 2.193824  6718.384       164.4363 6619.900       
238.0916 6808.201       227.3745 177.5364 3.194314 180.0491 3.007959 -2.512619 
4.387649 
1 1 1 -4  5   7  o 138.0882 1.865517  3953.576       106.5976 3725.088       
137.8489 4293.441       168.1221 133.1913 2.465179 142.9850 2.800627 -9.793732 
3.731035 
1 1 1 -4  5   8  o 248.1309 2.332472  12916.12       242.5023 12696.96       
331.4457 13168.60       355.7420 245.8722 3.210880 250.3896 3.384074 -4.517441 
4.664945 
1 1 1 -4  5   9  o 371.7426 2.949290  28897.58       452.6595 28300.27       
586.1417 29780.23       712.5186 367.0341 3.803797 376.4511 4.508257 -9.417023 
5.898581 
1 1 1 -4  5   10 o 145.3300 1.939880  4259.008       110.9820 3959.506       
133.2184 4938.358       200.6371 137.3202 2.310738 153.3398 3.116574 -16.01958 
3.879761 
1 1 1 -4  5   11 o 225.7076 2.629823  10703.78       249.1047 11076.63       
352.9913 10333.89       351.5873 229.6263 3.661536 221.7888 3.775849 7.837509 
5.259646 
1 1 1 -4  5   12 o 315.5800 2.783891  20787.97       360.1394 20314.48       
459.4394 21542.55       580.0012 310.9770 3.519014 320.1830 4.314711 -9.206085 
5.567781 
1 1 1 -4  5   13 o 228.7756 2.443206  10961.32       234.0010 10582.97       
317.1049 11413.67       346.7309 224.4583 3.365025 233.0929 3.543109 -8.634598 
4.886412 
1 1 1 -4  5   14 o 255.7867 3.093235  13687.56       270.5789 13859.43       
592.1827 13642.22       304.1891 256.7091 5.494592 254.8643 2.842862 1.844864 
6.186469 
1 1 1 -4  5   15 o 263.6913 6.417256  14747.49       689.5167 14380.38       
1111.378 14977.22       879.1794 260.8276 10.14914 266.5550 7.856185 -5.727417 
12.83451 
1 1 1 -4  5   16 o 384.2236 6.850268  30893.65       1017.750 32035.73       
1856.801 30403.17       1216.822 388.7259 11.37740 379.7213 7.632789 9.004578 
13.70054 
1 1 1 -4  5   17 o 214.1791 2.931953  9641.874       251.2425 9652.768       
425.6635 9636.049       311.2404 214.2217 4.732863 214.1364 3.461995 
0.8528137E-01  5.863907 
1 1 1 -4  5   18 o 112.8714 2.317713  2712.295       105.9394 2539.787       
171.5042 2818.730       134.7129 109.9127 3.716617 115.8300 2.770189 -5.917252 
4.635427 
1 1 1 -4  5   19 o 263.3784 3.426232  14336.91       276.5331 15007.55       
702.4616 14213.91       300.8232 266.6747 6.274251 260.0821 2.755002 6.592621 
6.852463 
1 1 1 -4  5   20 o 176.6100 2.656856  6487.529       185.7543 6788.830       
325.0974 6341.481       226.3406 179.5529 4.312631 173.6673 3.104313 5.885605 
5.313713 
1 1 1 -4  5   21 o 93.50298 2.342557  1852.034       90.93388 1745.138       
136.9837 1936.252       121.5883 91.05615 3.583278 95.94979 3.018345 -4.893639 
4.685113 
1 1 1 -4  5   22 o 54.72377 2.591212  634.1345       58.34092 613.1873       
91.35210 648.5626       75.81593 53.93700 4.034157 55.51053 3.253166 -1.573528 
5.182423 
1 1 1 -4  5   23 o 77.26857 2.328926  1233.187       72.52802 1340.788       
123.1524 1176.049       89.74188 79.77179 3.677178 74.76536 2.859011 5.006432 
4.657851 
1 1 1 -4  5   24 o 158.6876 3.130152  5320.025       201.8507 5289.729       
329.2766 5338.264       255.4836 158.2195 4.957035 159.1557 3.823507 
-0.9362640     6.260303 
1 1 1 -4  5   25 o 106.7080 2.502351  2363.824       107.2666 2517.480       
182.7129 2283.013       132.5045 109.2650 3.982989 104.1510 3.030319 5.114021 
5.004702 
1 1 1 -4  5   26 o 143.4213 2.774379  4239.495       158.4606 4657.798       
276.8027 4035.583       193.2618 148.4539 4.441192 138.3887 3.326339 10.06528 
5.548759 
1 1 1 -4  5   27 o 28.69680 5.738482  179.0343       73.36520 233.3317       
107.9337 132.4024       100.0252 32.25211 7.999789 25.14149 8.229464 7.110628 
11.47696 
1 1 1 -4  5   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  5   29 o 75.55756 2.938790  1212.137       93.19605 1253.045       
133.3420 1173.069       130.3086 76.80776 4.135071 74.30737 4.176978 2.500397 
5.877581 
1 1 1 -4  5   30 o 97.62988 2.967527  2024.806       121.4172 1887.753       
166.2307 2181.544       177.7691 94.09702 4.207812 101.1627 4.185592 -7.065704 
5.935053 
1 1 1 -4  5   31 o 57.88208 3.359804  727.2444       80.74599 838.1108       
113.2877 612.7660       115.1184 62.53024 4.315329 53.23392 5.150832 9.296318 
6.719608 
1 1 1 -4  5   32 o 37.22018 4.761127  324.1856       70.87306 398.4843       
96.79746 238.3281       104.0549 42.69536 5.400132 31.74501 7.842954 10.95036 
9.522255 
1 1 1 -4  5   33 o 19.11543 5.507113  23.75654       76.71307 107.8371       
103.3557 -79.38124      114.4711 22.68381 8.305351 15.54706 7.234244 7.136750 
11.01423 
1 1 1 -4  5   34 o 38.90243 5.401615  359.0338       86.07968 254.9130       
116.8001 482.8202       127.3535 31.89632 8.546958 45.90854 6.607519 -14.01221 
10.80323 
1 1 1 -4  5   35 o 15.60095 5.054455  -67.28502      78.83136 14.44438       
106.8448 -164.9307      116.7860 17.74140 7.709275 13.46050 6.538895 4.280902 
10.10891 
1 1 1 -4  5   36 o 17.95026 5.573413  14.18719       80.91230 -2.870376      
110.7472 33.71672       118.5004 17.04998 7.600326 18.85055 8.153943 -1.800571 
11.14683 
1 1 1 -4  5   37 o 25.40929 5.925045  151.0028       84.98483 18.74000       
113.2563 321.4456       128.5680 17.43641 7.735300 33.38216 8.977180 -15.94575 
11.85009 
1 1 1 -4  6   1  f 199.9353 2.422856  8450.912       198.9596 8123.269       
312.6701 8673.847       257.9129 196.6443 3.787268 203.2262 3.022835 -6.581924 
4.845713 
1 1 1 -4  6   2  f 198.8247 2.296211  8297.244       191.6089 8062.771       
266.9700 8546.337       275.1676 195.9298 3.245510 201.7196 3.249153 -5.789795 
4.592422 
1 1 1 -4  6   3  o 271.3873 3.392418  15475.80       386.4594 15320.86       
540.6025 15637.73       552.6695 270.0002 4.769084 272.7743 4.825953 -2.774078 
6.784835 
1 1 1 -4  6   4  o 75.52432 1.498336  1191.206       47.36664 1282.586       
70.38999 1115.586       64.03339 78.15693 2.145184 72.89172 2.092422 5.265205 
2.996672 
1 1 1 -4  6   5  o 270.8129 3.505699  15418.02       398.2335 15333.87       
574.5860 15495.81       552.4410 270.0941 5.067119 271.5318 4.846031 -1.437775 
7.011398 
1 1 1 -4  6   6  o 114.6977 1.982096  2744.617       94.99004 2588.778       
127.0304 2942.287       143.0673 111.0299 2.725142 118.3655 2.878963 -7.335678 
3.964193 
1 1 1 -4  6   7  f 126.7108 2.069890  3369.913       109.9913 3411.406       
159.7747 3332.535       151.6457 127.4506 2.985982 125.9710 2.867350 1.479675 
4.139781 
1 1 1 -4  6   8  o 208.7481 1.867554  9080.056       160.4054 8810.597       
205.7954 9497.165       256.0441 204.8393 2.393004 212.6569 2.867850 -7.817535 
3.735108 
1 1 1 -4  6   9  o 100.6705 1.791732  2131.122       75.30292 2098.978       
112.1610 2157.501       101.6081 99.97647 2.672178 101.3645 2.387611 -1.388039 
3.583464 
1 1 1 -4  6   10 o 292.0869 2.114964  17910.21       258.7084 18021.18       
380.0610 17814.40       353.1565 292.9249 3.090424 291.2489 2.888178 1.676025 
4.229928 
1 1 1 -4  6   11 o 489.0518 4.021341  50295.62       825.5147 50268.25       
1178.642 50321.96       1156.579 488.9128 5.742108 489.1908 5.631423 
-0.2779541     8.042683 
1 1 1 -4  6   12 o 140.1763 1.999733  4081.498       115.5710 3901.394       
148.4965 4358.177       184.0523 136.3022 2.594982 144.0504 3.043321 -7.748199 
3.999466 
1 1 1 -4  6   13 o 206.1521 2.963543  8919.587       246.3207 8969.472       
410.7375 8891.570       307.8153 206.5721 4.736023 205.7321 3.563767 0.8400116 
5.927087 
1 1 1 -4  6   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  6   15 o 217.7871 2.932401  9875.789       235.8457 10163.16       
463.7957 9775.564       273.9032 219.8442 5.024962 215.7300 3.024179 4.114182 
5.864802 
1 1 1 -4  6   16 o 106.2632 2.112427  2378.767       91.34423 2344.294       
148.2129 2399.881       115.9915 105.6314 3.342057 106.8951 2.584577 -1.263664 
4.224853 
1 1 1 -4  6   17 o 298.2144 5.116401  18558.58       604.6656 19355.62       
1054.919 18168.60       737.9148 302.7097 8.300686 293.7191 5.984049 8.990601 
10.23280 
1 1 1 -4  6   18 o 149.5549 2.094972  4620.103       122.3093 4914.428       
220.7703 4489.760       146.9165 152.9085 3.438982 146.2013 2.393539 6.707230 
4.189943 
1 1 1 -4  6   19 o 83.21503 2.288721  1470.094       78.67063 1366.038       
120.1731 1548.131       104.0704 80.60071 3.551316 85.82935 2.888100 -5.228638 
4.577442 
1 1 1 -4  6   20 o 171.2251 2.560934  6019.132       163.3370 6490.953       
320.3561 5853.394       189.8699 175.5671 4.346212 166.8830 2.709974 8.684052 
5.121867 
1 1 1 -4  6   21 o 113.8231 2.409628  2743.149       114.4280 2476.337       
165.4332 2987.894       158.4443 108.4648 3.632912 119.1814 3.166572 -10.71661 
4.819256 
1 1 1 -4  6   22 o 143.1620 2.405796  4305.254       141.1431 4358.146       
226.2583 4271.559       180.5886 143.8365 3.746766 142.4875 3.018802 1.348999 
4.811592 
1 1 1 -4  6   23 f 95.77441 2.279786  1915.045       89.59570 2004.995       
144.1843 1858.465       114.3538 97.56513 3.520015 93.98368 2.898138 3.581451 
4.559573 
1 1 1 -4  6   24 o 153.6118 2.962404  4944.476       183.9656 5095.634       
306.5637 4859.410       229.9763 155.3410 4.700625 151.8825 3.606586 3.458466 
5.924808 
1 1 1 -4  6   25 o 100.8621 2.165240  2146.198       90.99149 2098.265       
136.5634 2184.468       122.0234 99.82941 3.258345 101.8948 2.852411 -2.065430 
4.330481 
1 1 1 -4  6   26 o 145.5961 2.893419  4461.411       170.0421 4523.474       
283.2652 4426.446       212.6111 146.2756 4.612563 144.9166 3.494532 1.359055 
5.786838 
1 1 1 -4  6   27 o 141.2928 2.980266  4237.548       170.7301 4166.147       
279.1871 4280.200       215.7796 140.1947 4.743347 142.3910 3.609516 -2.196274 
5.960532 
1 1 1 -4  6   28 o 20.36866 5.512123  63.80386       62.21861 64.66570       
111.4825 63.41397       74.98276 21.58934 8.460929 19.14799 7.067297 2.441351 
11.02425 
1 1 1 -4  6   29 o 77.58303 4.172834  1278.253       135.9179 0.000000       
0.000000 1278.253       135.9179 ?        ?        77.58303 4.172834 ? ? 
1 1 1 -4  6   30 f 108.3914 2.953863  2469.908       133.2384 2267.816       
174.8725 2749.582       205.7184 103.2285 4.034996 113.5544 4.315093 -10.32598 
5.907725 
1 1 1 -4  6   31 o 98.69484 3.143813  2096.242       129.4998 2008.471       
191.3321 2170.441       175.9181 96.65170 4.715192 100.7380 4.159472 -4.086273 
6.287627 
1 1 1 -4  6   32 o 19.67408 5.610757  50.46940       71.73889 67.23972       
98.33871 31.39175       104.8857 20.36475 7.953560 18.98342 7.916012 1.381330 
11.22151 
1 1 1 -4  6   33 f 77.52312 3.297750  1313.438       106.7877 1423.722       
148.6834 1195.935       153.4716 81.06688 4.368578 73.97935 4.941270 7.087532 
6.595501 
1 1 1 -4  6   34 o 42.41469 5.017057  423.9727       86.11681 454.4578       
116.4343 387.1567       127.9544 44.82452 6.187087 40.00485 7.899583 4.819675 
10.03411 
1 1 1 -4  6   35 o 51.25990 4.313191  610.5364       90.86758 678.8654       
122.2659 526.2289       135.8112 55.03953 5.291168 47.48028 6.813076 7.559246 
8.626382 
1 1 1 -4  6   36 o 29.91331 5.902887  222.7120       86.13116 90.47356       
116.9860 379.2457       127.2797 21.32727 8.563183 38.49935 8.127004 -17.17208 
11.80577 
1 1 1 -4  6   37 o 48.05667 5.272134  521.7049       95.51115 204.6454       
117.7125 1132.695       163.4065 26.74527 8.927465 69.36807 5.610877 -42.62280 
10.54427 
1 1 1 -4  7   1  o 268.7473 4.090466  15173.13       461.2973 14583.17       
641.6999 15804.05       663.5969 263.3448 5.804012 274.1498 5.765507 -10.80505 
8.180931 
1 1 1 -4  7   2  o 166.3897 1.562785  5809.818       108.9355 5763.900       
148.9685 5862.595       159.7077 165.6847 2.141574 167.0946 2.276588 -1.409897 
3.125571 
1 1 1 -4  7   3  o 338.8913 4.412465  23925.69       620.0215 22777.78       
807.2776 25576.78       968.1757 329.1165 5.842440 348.6660 6.614021 -19.54947 
8.824929 
1 1 1 -4  7   4  o 63.57491 1.616285  843.8660       43.01527 770.0936       
58.44538 931.0573       63.53888 60.56031 2.298704 66.58952 2.272766 -6.029202 
3.232570 
1 1 1 -4  7   5  o 386.1640 3.347645  31347.38       542.5565 30990.05       
774.6821 31691.38       760.1070 383.9968 4.805261 388.3311 4.662229 -4.334320 
6.695290 
1 1 1 -4  7   6  o 217.3543 2.945154  9909.253       268.3242 9647.764       
367.3630 10208.29       392.8536 214.2896 4.083338 220.4191 4.245244 -6.129410 
5.890309 
1 1 1 -4  7   7  o 208.5934 1.937391  9106.730       167.5519 8948.894       
219.3635 9327.768       259.5926 206.4371 2.531033 210.7497 2.933907 -4.312637 
3.874782 
1 1 1 -4  7   8  o 322.2235 2.404019  21751.98       321.9922 21417.90       
424.8701 22202.78       493.5375 319.3372 3.169040 325.1098 3.615856 -5.772644 
4.808039 
1 1 1 -4  7   9  o 196.6257 2.763159  8106.539       226.7108 8262.146       
341.3843 7983.769       303.2311 198.3024 4.100499 194.9491 3.704876 3.353317 
5.526319 
1 1 1 -4  7   10 o 161.2865 2.721653  5646.636       174.2170 4864.365       
287.5223 6100.464       218.9972 152.1426 4.501338 170.4304 3.060643 -18.28775 
5.443306 
1 1 1 -4  7   11 o 410.0126 3.374906  35157.14       568.3112 34505.46       
728.2535 36172.12       908.8455 405.2281 4.280595 414.7971 5.218858 -9.568970 
6.749813 
1 1 1 -4  7   12 o 605.3978 9.786138  77764.99       2462.247 77878.35       
3758.154 77679.73       3259.194 605.3193 14.78806 605.4763 12.82136 
-0.1570435     19.57228 
1 1 1 -4  7   13 o 169.1714 3.278426  5856.972       215.4221 6430.109       
395.1850 5614.658       256.9567 174.8666 5.382878 163.4761 3.743920 11.39049 
6.556853 
1 1 1 -4  7   14 o 151.8368 2.437368  4830.674       154.7300 4244.945       
213.3318 5480.825       224.7575 142.1461 3.574718 161.5275 3.314277 -19.38145 
4.874735 
1 1 1 -4  7   15 o 309.2694 5.225832  20293.75       655.7105 19600.33       
1065.805 20716.04       831.7492 304.8308 8.327987 313.7079 6.315212 -8.877106 
10.45166 
1 1 1 -4  7   16 o 211.4706 3.657250  9391.188       304.4139 9453.971       
533.8822 9360.941       370.5525 211.9159 6.000713 211.0252 4.182505 0.8907318 
7.314499 
1 1 1 -4  7   17 o 185.7735 2.572204  7233.285       193.0064 7327.405       
321.0738 7180.030       241.5138 186.6866 4.096498 184.8604 3.111854 1.826218 
5.144408 
1 1 1 -4  7   18 o 51.32895 2.755864  555.3303       58.37072 546.6159       
91.01794 561.4181       76.07468 50.97786 4.252717 51.68005 3.506213 
-0.7021904     5.511727 
1 1 1 -4  7   19 o 187.1422 3.565696  7434.440       276.2004 7001.311       
420.6849 7762.599       366.1761 182.2533 5.497973 192.0311 4.541922 -9.777771 
7.131392 
1 1 1 -4  7   20 o 306.0845 5.093505  19649.55       579.4498 20249.73       
1127.148 19433.95       675.5547 308.6211 8.699140 303.5479 5.300957 5.073151 
10.18701 
1 1 1 -4  7   21 o 18.02719 4.583806  44.74503       47.03970 99.60371       
70.40820 0.5169296      63.21930 21.81512 6.886622 14.23927 6.051408 7.575850 
9.167612 
1 1 1 -4  7   22 o 218.1739 3.106482  9984.168       269.7450 10215.10       
464.4056 9866.590       331.3746 219.9053 5.030172 216.4425 3.646681 3.462738 
6.212964 
1 1 1 -4  7   23 o 53.07337 2.841666  608.2441       61.07730 532.8693       
96.75605 658.1758       78.75058 50.23838 4.587368 55.90837 3.355042 -5.669987 
5.683331 
1 1 1 -4  7   24 f 77.34045 2.389909  1272.106       76.50389 1172.727       
115.7018 1349.308       101.9786 74.60657 3.693893 80.07433 3.033449 -5.467766 
4.779818 
1 1 1 -4  7   25 o 127.5356 2.510331  3334.525       124.3858 3667.822       
228.1178 3193.500       148.3856 131.8715 4.120306 123.1997 2.868820 8.671776 
5.020662 
1 1 1 -4  7   26 o 112.5708 2.526559  2677.391       118.4742 2619.993       
178.0289 2723.016       158.7236 111.4540 3.804661 113.6877 3.325440 -2.233665 
5.053117 
1 1 1 -4  7   27 o 127.8968 2.638939  3422.559       137.8988 3589.032       
224.6350 3321.885       174.6880 130.2903 4.106637 125.5033 3.315349 4.787064 
5.277879 
1 1 1 -4  7   28 o 43.00047 3.566341  391.8324       63.14472 401.7285       
100.0688 385.2849       81.39596 43.39579 5.492526 42.60514 4.550529 0.7906494 
7.132682 
1 1 1 -4  7   29 o 127.4900 2.801732  3456.942       144.6888 3408.386       
237.2555 3485.694       182.5677 126.6006 4.463768 128.3794 3.387270 -1.778770 
5.603465 
1 1 1 -4  7   30 o 68.82403 3.047230  1009.610       88.02054 1012.513       
123.0347 1006.566       125.9772 68.93938 4.250903 68.70867 4.367182 0.2307129 
6.094461 
1 1 1 -4  7   31 o 118.5848 4.475604  3014.437       222.8227 3014.437       
222.8227 0.000000       0.000000 118.5848 4.475604 ?        ?        ? ? 
1 1 1 -4  7   32 o 26.41356 5.895141  160.9562       73.06379 166.7377       
102.8456 155.0648       103.8168 26.80213 8.296430 26.02499 8.377350 0.7771358 
11.79028 
1 1 1 -4  7   33 o 20.09180 5.785155  50.05533       76.96747 23.33090       
104.5521 81.67312       113.7220 18.43772 7.806437 21.74587 8.540001 -3.308147 
11.57031 
1 1 1 -4  7   34 o 20.84918 5.931303  69.81655       79.32494 69.32703       
107.2177 70.40855       117.9076 20.56087 8.221781 21.13749 8.551241 
-0.5766163     11.86261 
1 1 1 -4  7   35 o 62.91565 3.727736  889.5518       97.62011 929.0380       
131.9221 841.7613       145.1329 64.76134 4.852023 61.06995 5.660558 3.691395 
7.455471 
1 1 1 -4  7   36 o 36.72881 5.450330  329.2013       86.76901 153.5554       
115.5688 556.1359       131.3627 24.72805 8.808836 48.72958 6.420967 -24.00153 
10.90066 
1 1 1 -4  7   37 o 15.52607 5.127647  -59.50825      82.44491 -84.73593      
110.8579 -28.28701      123.3256 14.36275 6.813699 16.68939 7.664502 -2.326638 
10.25529 
1 1 1 -4  8   1  o 192.1044 3.210981  7669.623       226.1516 7930.836       
450.2498 7581.486       261.5362 194.2185 5.521842 189.9902 3.278850 4.228317 
6.421962 
1 1 1 -4  8   2  o 190.2007 2.831987  7600.202       226.0883 7592.602       
316.2166 7608.149       323.3779 190.1051 3.961977 190.2963 4.047634 
-0.1911774     5.663973 
1 1 1 -4  8   3  o 126.2394 1.918018  3350.256       101.4133 3289.431       
147.8647 3404.280       139.3535 125.1545 2.814097 127.3244 2.606920 -2.169823 
3.836036 
1 1 1 -4  8   4  o 452.0587 5.238094  42911.32       986.7052 42156.94       
1312.089 43893.23       1496.935 447.5691 6.982711 456.5482 7.809754 -8.979065 
10.47619 
1 1 1 -4  8   5  f 116.3840 1.498570  2823.066       72.40523 2711.617       
94.73087 2979.649       112.2857 113.6436 1.985489 119.1245 2.245145 -5.480865 
2.997139 
1 1 1 -4  8   6  o 272.8223 2.753287  15638.63       315.2898 15554.34       
450.0735 15719.87       441.8153 272.0977 3.939850 273.5468 3.847070 -1.449158 
5.506575 
1 1 1 -4  8   7  o 329.3321 2.735858  22720.68       374.4269 22344.02       
493.5452 23231.43       574.7140 326.1426 3.604462 332.5215 4.116737 -6.378845 
5.471715 
1 1 1 -4  8   8  o 50.69867 2.001758  536.9551       42.07897 428.2925       
57.29796 664.1702       61.99669 45.15859 3.022177 56.23875 2.625754 -11.08016 
4.003515 
1 1 1 -4  8   9  o 427.3459 3.458613  38303.29       614.9882 37785.56       
814.3976 38990.28       938.1140 424.0273 4.574712 430.6645 5.188450 -6.637207 
6.917225 
1 1 1 -4  8   10 o 107.0225 1.641521  2385.114       73.33193 2587.030       
111.2033 2229.744       97.54737 110.9963 2.386330 103.0487 2.254728 7.947578 
3.283042 
1 1 1 -4  8   11 o 383.5710 2.895023  30789.75       458.3201 30255.87       
593.4735 31578.65       721.4255 379.4990 3.724875 387.6431 4.432824 -8.144073 
5.790046 
1 1 1 -4  8   12 o 219.3412 3.543729  9931.188       294.9850 10541.10       
559.2730 9696.115       347.2086 223.8565 5.950798 214.8258 3.849684 9.030670 
7.087458 
1 1 1 -4  8   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  8   14 o 316.8711 5.382330  21148.46       666.8323 21181.38       
1182.669 21133.12       807.4141 316.8335 8.891056 316.9087 6.068527 
-0.7513428E-01 10.76466 
1 1 1 -4  8   15 o 171.9139 3.166472  6097.021       212.2966 6524.083       
384.3883 5909.577       254.6600 176.1217 5.198505 167.7062 3.616868 8.415482 
6.332944 
1 1 1 -4  8   16 o 75.28607 2.396186  1174.708       73.90139 1263.089       
120.1440 1120.917       93.73070 77.52631 3.691255 73.04584 3.056381 4.480476 
4.792372 
1 1 1 -4  8   17 o 125.7276 2.552028  3358.900       130.7148 3164.447       
208.8428 3484.140       167.6038 122.6826 4.054691 128.7726 3.100140 -6.090073 
5.104056 
1 1 1 -4  8   18 o 253.2101 3.133649  13552.66       329.1877 13050.05       
500.6517 13935.44       436.9137 249.0075 4.788994 257.4128 4.042841 -8.405228 
6.267298 
1 1 1 -4  8   19 o 286.6169 3.714628  17068.00       386.9644 17798.73       
781.8050 16830.89       445.3425 290.3531 6.413470 282.8806 3.749833 7.472473 
7.429256 
1 1 1 -4  8   20 o 74.24628 2.114400  1170.191       65.26122 1018.069       
94.49368 1308.924       90.23981 69.57826 3.234821 78.91431 2.723727 -9.336044 
4.228800 
1 1 1 -4  8   21 o 296.3163 3.459565  18057.44       364.1996 19407.91       
766.1203 17663.14       413.9668 302.9107 6.024255 289.7220 3.403338 13.18875 
6.919130 
1 1 1 -4  8   22 f 77.40468 2.355484  1267.567       74.84859 1229.982       
118.0879 1292.808       96.77042 76.41704 3.680748 78.39232 2.940290 -1.975281 
4.710967 
1 1 1 -4  8   23 o 53.18548 2.669713  605.8837       58.58054 525.5389       
87.52819 671.0728       78.84181 49.91606 4.176656 56.45489 3.326412 -6.538830 
5.339427 
1 1 1 -4  8   24 o 176.3014 2.644676  6367.365       168.3048 6907.978       
346.7604 6200.760       192.4996 180.8984 4.565789 171.7043 2.670360 9.194092 
5.289352 
1 1 1 -4  8   25 o 167.4717 3.082733  5894.217       203.6619 5990.701       
356.3423 5847.412       248.1931 168.3360 5.042101 166.6075 3.548266 1.728439 
6.165466 
1 1 1 -4  8   26 o 104.9465 2.530441  2311.887       108.6810 2365.068       
175.2921 2278.679       138.5174 105.8759 3.943541 104.0171 3.171910 1.858818 
5.060882 
1 1 1 -4  8   27 o 62.41589 2.845959  793.3754       72.08838 939.3934       
122.0242 715.0919       89.34665 66.62970 4.362137 58.20207 3.656461 8.427628 
5.691919 
1 1 1 -4  8   28 o 124.3846 2.552523  3281.533       128.5070 3227.063       
211.0356 3313.634       162.0068 123.4448 4.071962 125.3244 3.079062 -1.879601 
5.105046 
1 1 1 -4  8   29 o 117.5712 2.839935  2895.293       135.1430 3068.441       
225.8949 2798.778       168.6537 120.1269 4.479064 115.0155 3.492693 5.111382 
5.679870 
1 1 1 -4  8   30 f 80.47164 2.603161  1392.494       86.70649 1222.741       
128.5318 1534.257       117.4581 75.82251 4.037695 85.12077 3.286763 -9.298264 
5.206323 
1 1 1 -4  8   31 o 113.2606 2.831956  2736.826       134.6438 2679.287       
188.8410 2796.323       192.0292 112.0457 4.014416 114.4755 3.995543 -2.429825 
5.663911 
1 1 1 -4  8   32 o 35.31606 9.957212  305.3744       153.9840 305.3744       
153.9840 0.000000       0.000000 35.31606 9.957212 ?        ?        ? ? 
1 1 1 -4  8   33 o 33.86399 5.493316  272.6895       76.48242 270.6534       
107.9931 274.7383       108.3326 33.73134 7.779193 33.99664 7.758235 
-0.2652969     10.98663 
1 1 1 -4  8   34 o 64.50325 3.438128  913.4237       92.72170 915.6595       
125.7484 910.7597       137.2635 64.72216 4.627758 64.28434 5.085938 0.4378204 
6.876256 
1 1 1 -4  8   35 o 36.78619 5.693731  332.4146       85.67393 271.3221       
116.4319 404.5499       126.5180 32.78230 8.417158 40.79007 7.669794 -8.007774 
11.38746 
1 1 1 -4  8   36 o 22.76402 6.085249  118.4796       79.99416 134.1812       
105.0937 96.85153       123.3427 23.53592 8.398537 21.99212 8.808270 1.543793 
12.17050 
1 1 1 -4  8   37 o 24.23125 6.191981  127.8516       84.50142 42.14972       
107.9322 263.5737       135.8254 18.36157 7.858156 30.10093 9.571412 -11.73936 
12.38396 
1 1 1 -4  8   38 o 20.47221 5.602359  14.94324       83.41589 -150.4058      
109.4298 244.2856       128.8774 12.65695 6.187623 28.28748 9.341255 -15.63053 
11.20472 
1 1 1 -4  9   1  o 313.8712 4.099419  20845.36       515.4951 20281.39       
864.3956 21156.65       642.1906 310.4701 6.631531 317.2723 4.821175 -6.802155 
8.198837 
1 1 1 -4  9   2  o 55.93595 1.778992  642.3551       40.94952 485.2186       
54.01130 854.7911       62.80008 48.06868 2.676353 63.80322 2.344438 -15.73454 
3.557985 
1 1 1 -4  9   3  o 385.1190 3.660270  30813.68       552.0862 30187.86       
666.2503 32185.08       986.2703 379.0454 4.186656 391.1926 6.005184 -12.14722 
7.320541 
1 1 1 -4  9   4  o 72.82903 1.680314  1090.832       50.84617 937.5297       
66.59403 1305.135       78.73618 66.81955 2.373847 78.83852 2.378794 -12.01897 
3.360627 
1 1 1 -4  9   5  o 44.43358 2.039543  413.7921       37.96426 376.8301       
52.52039 454.2390       54.94048 42.35925 2.953254 46.50792 2.813758 -4.148670 
4.079086 
1 1 1 -4  9   6  o 113.1495 1.508618  2687.833       71.66049 2646.032       
100.7299 2730.668       101.9679 112.2588 2.137269 114.0401 2.129742 -1.781326 
3.017237 
1 1 1 -4  9   7  o 826.9419 6.519711  144099.9       2260.986 142160.5       
3115.790 146256.9       3286.034 821.1424 9.037967 832.7414 9.399027 -11.59900 
13.03942 
1 1 1 -4  9   8  o 179.4334 2.460427  6685.085       181.8235 6384.811       
233.0558 7152.124       290.6546 174.3534 3.183834 184.5133 3.752067 -10.15991 
4.920854 
1 1 1 -4  9   9  o 143.1161 1.920205  4299.744       115.2872 4262.834       
159.6328 4339.982       166.6768 142.4754 2.668721 143.7569 2.761644 -1.281448 
3.840410 
1 1 1 -4  9   10 o 410.7151 3.160178  34806.03       498.2438 33900.40       
590.8535 37035.00       926.9583 401.7246 3.503261 419.7056 5.260615 -17.98096 
6.320356 
1 1 1 -4  9   11 o 170.2770 2.309002  5724.586       131.3893 6705.561       
306.9701 5504.563       145.3792 178.6418 4.092928 161.9122 2.138670 16.72958 
4.618005 
1 1 1 -4  9   12 o 624.1058 16.15536  84011.80       3961.564 85253.49       
6962.043 83417.24       4817.536 624.1521 26.56852 624.0595 18.38739 
0.9259033E-01  32.31071 
1 1 1 -4  9   13 o 361.9819 5.936118  27691.95       856.5223 27423.49       
1458.126 27833.38       1058.366 360.3842 9.637193 363.5796 6.933577 -3.195465 
11.87224 
1 1 1 -4  9   14 o 357.0510 4.613396  26566.75       592.2886 27368.46       
1212.480 26315.48       678.7884 360.2901 8.015734 353.8120 4.569650 6.478088 
9.226792 
1 1 1 -4  9   15 o 475.6794 6.948853  47854.61       1326.031 47809.43       
2231.152 47879.28       1648.833 474.9959 11.18820 476.3629 8.244412 -1.366974 
13.89771 
1 1 1 -4  9   16 f 244.3336 3.144097  12565.77       308.3183 12510.14       
518.0819 12596.27       383.6520 243.8531 5.060473 244.8140 3.732693 
-0.9608612     6.288194 
1 1 1 -4  9   17 o 176.9245 2.610021  6665.011       188.1661 6205.602       
299.3885 6964.973       241.9183 171.7879 4.151104 182.0611 3.164991 -10.27321 
5.220041 
1 1 1 -4  9   18 o 199.0001 3.081665  8394.732       237.4603 8167.864       
425.6088 8497.272       286.1355 196.9442 5.147408 201.0561 3.389812 -4.111938 
6.163330 
1 1 1 -4  9   19 o 135.8053 2.404780  3852.941       131.7270 3967.727       
220.6874 3789.410       164.1826 137.3361 3.827488 134.2746 2.912422 3.061493 
4.809560 
1 1 1 -4  9   20 o 62.90646 2.430650  830.3646       63.67138 848.3293       
96.86853 816.6990       84.48605 63.49627 3.633754 62.31664 3.229253 1.179634 
4.861300 
1 1 1 -4  9   21 f 21.43511 4.584532  92.66483       52.62023 -10.64948      
83.26082 161.3732       67.89931 15.78588 6.831652 27.08434 6.115577 -11.29846 
9.169065 
1 1 1 -4  9   22 o 289.9878 4.444075  17922.67       501.8491 17575.17       
891.1676 18084.05       607.2980 287.3704 7.386495 292.6052 4.943572 -5.234802 
8.888149 
1 1 1 -4  9   23 o 163.3117 2.925086  5595.128       193.3904 5737.214       
320.8194 5514.030       242.3768 164.8337 4.635918 161.7897 3.568300 3.044006 
5.850171 
1 1 1 -4  9   24 f 75.10519 2.436887  1210.198       75.17560 1054.788       
114.2707 1328.782       99.81769 70.74473 3.847352 79.46566 2.991914 -8.720932 
4.873774 
1 1 1 -4  9   25 o 77.15927 2.356766  1277.694       74.25129 1136.402       
115.7309 1376.544       96.80095 73.43198 3.753920 80.88657 2.850521 -7.454590 
4.713532 
1 1 1 -4  9   26 o 115.7537 2.576541  2840.133       123.2172 2735.026       
190.1745 2916.181       161.7636 113.8496 3.978705 117.6577 3.274776 -3.808044 
5.153082 
1 1 1 -4  9   27 o 117.4908 2.400913  2914.226       117.2082 2894.551       
178.7312 2929.071       155.2525 117.1011 3.635470 117.8806 3.137020 
-0.7795486     4.801826 
1 1 1 -4  9   28 o 196.5479 2.906521  8086.582       224.5398 8453.900       
398.1701 7915.298       271.8982 199.4876 4.754161 193.6083 3.345056 5.879257 
5.813041 
1 1 1 -4  9   29 o 32.30939 4.785665  234.0547       61.74555 228.9796       
98.03905 237.3911       79.49190 31.85490 7.455103 32.76387 6.002647 
-0.9089737     9.571329 
1 1 1 -4  9   30 o 71.05267 2.739717  1075.438       79.80038 1058.579       
126.8193 1086.489       102.6758 70.49623 4.284899 71.60910 3.415238 -1.112869 
5.479435 
1 1 1 -4  9   31 o 59.02980 2.994428  745.5772       73.29936 740.0508       
112.5363 749.6494       96.60083 58.75439 4.562189 59.30521 3.879798 
-0.5508156     5.988856 
1 1 1 -4  9   32 o 52.80773 3.328097  566.7642       71.40799 756.2766       
121.0280 465.5624       88.44253 59.12915 4.875343 46.48630 4.531659 12.64285 
6.656193 
1 1 1 -4  9   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  9   34 o 86.39819 2.962247  1621.718       107.1565 1487.071       
151.4678 1756.629       151.6167 82.68393 4.363354 90.11246 4.007589 -7.428535 
5.924494 
1 1 1 -4  9   35 o 70.24695 3.651464  1103.885       107.0054 1176.681       
147.0291 1021.905       156.0284 72.99539 4.797653 67.49850 5.505930 5.496887 
7.302927 
1 1 1 -4  9   36 o 37.74136 5.376545  339.6295       83.34902 245.1558       
109.3754 470.4759       128.7197 30.87620 8.269594 44.60652 6.873337 -13.73032 
10.75309 
1 1 1 -4  9   37 o 24.77783 6.366768  162.3473       84.48528 157.0080       
108.4140 170.6038       134.8159 24.39262 8.547419 25.16304 9.438463 
-0.7704220     12.73354 
1 1 1 -4  9   38 f 35.35066 5.977202  353.2758       87.15326 368.6251       
115.3458 332.8537       133.0475 37.19127 7.649436 33.51005 9.186616 3.681225 
11.95440 
1 1 1 -4  10  1  o 70.81815 2.055438  1087.664       58.74258 905.9625       
92.24136 1211.631       76.19016 65.67480 3.345400 75.96149 2.389057 -10.28669 
4.110875 
1 1 1 -4  10  2  o 383.4405 3.486175  30956.06       548.5255 30655.60       
871.3083 31153.32       705.9837 381.8425 5.435114 385.0385 4.367286 -3.195923 
6.972349 
1 1 1 -4  10  3  o 332.6796 4.486750  23275.06       622.2879 23351.70       
937.7753 23214.76       831.8174 333.1268 6.705178 332.2325 5.963579 0.8942566 
8.973499 
1 1 1 -4  10  4  o 112.5880 1.685499  2650.814       79.47195 2512.512       
107.8277 2815.280       117.5859 109.3868 2.347937 115.7892 2.418847 -6.402306 
3.370998 
1 1 1 -4  10  5  o 300.1208 3.037825  18886.88       375.1487 18728.95       
483.6368 19125.46       594.4142 298.5779 3.858182 301.6638 4.693395 -3.085876 
6.075650 
1 1 1 -4  10  6  o 301.3238 2.354748  19070.36       297.7484 19045.11       
414.5897 19097.25       427.8845 301.1206 3.279436 301.5270 3.380037 
-0.4064026     4.709496 
1 1 1 -4  10  7  f 159.8845 2.471257  5316.454       163.9708 5041.553       
213.8928 5708.271       255.3578 154.9277 3.288426 164.8413 3.689811 -9.913559 
4.942514 
1 1 1 -4  10  8  o 216.4733 3.289606  9844.636       298.7538 9747.230       
413.8113 9950.676       431.7634 215.3596 4.576773 217.5871 4.726436 -2.227509 
6.579213 
1 1 1 -4  10  9  o 206.2693 1.815006  8940.392       157.0258 8786.322       
225.9474 9084.316       218.3819 204.5475 2.631081 207.9912 2.500879 -3.443680 
3.630012 
1 1 1 -4  10  10 o 466.2752 7.311028  45953.39       1430.125 44738.26       
2043.977 47118.77       2001.690 460.1649 10.57995 472.3856 10.09302 -12.22064 
14.62206 
1 1 1 -4  10  11 o 332.5958 5.372537  23138.58       696.5320 23739.58       
1249.752 22867.78       838.9051 335.4983 8.872675 329.6933 6.060713 5.804962 
10.74507 
1 1 1 -4  10  12 o 187.5246 7.193654  7405.700       566.3523 7405.700       
566.3523 0.000000       0.000000 187.5246 7.193654 ?        ?        ? ? 
1 1 1 -4  10  13 o 233.2798 3.895234  11472.15       366.6663 11352.98       
607.7417 11540.35       459.7727 232.2597 6.232556 234.2998 4.674039 -2.040070 
7.790468 
1 1 1 -4  10  14 o 444.7297 5.311949  41776.82       863.9675 41501.17       
1708.644 41871.50       1001.421 443.2997 9.180689 446.1596 5.346228 -2.859894 
10.62390 
1 1 1 -4  10  15 o 222.0345 2.468057  10283.67       197.1596 10505.16       
402.5684 10213.78       226.1367 223.5405 4.289478 220.5286 2.442459 3.011978 
4.936115 
1 1 1 -4  10  16 o 307.3194 3.339056  19649.37       354.3746 20248.75       
768.4353 19487.46       399.3786 310.0880 5.902602 304.5508 3.123533 5.537109 
6.678111 
1 1 1 -4  10  17 o 231.0579 3.506176  11298.87       330.0673 10972.01       
531.7059 11503.79       421.0083 228.2479 5.548630 233.8679 4.287865 -5.619995 
7.012352 
1 1 1 -4  10  18 o 28.64606 4.161189  183.3469       48.06004 145.1452       
75.65332 209.1952       62.23035 25.76802 6.866831 31.52410 4.701979 -5.756083 
8.322378 
1 1 1 -4  10  19 o 316.3961 4.666039  21086.65       592.7333 21385.01       
999.3192 20924.71       736.2220 317.8157 7.489450 314.9766 5.567389 2.839172 
9.332078 
1 1 1 -4  10  20 o 77.66171 2.086002  1271.745       67.36749 1240.727       
101.9052 1295.824       89.78554 76.80893 3.160136 78.51450 2.723815 -1.705574 
4.172005 
1 1 1 -4  10  21 o 143.5854 2.230957  4378.712       126.7690 4212.098       
217.4055 4464.546       156.0424 141.4410 3.661140 145.7299 2.550439 -4.288940 
4.461915 
1 1 1 -4  10  22 o 197.6230 3.080457  8152.629       236.6693 8466.296       
427.8824 8014.365       284.0816 200.1561 5.091861 195.0898 3.468403 5.066330 
6.160915 
1 1 1 -4  10  23 o 50.19811 3.119540  558.2255       62.45211 418.0544       
96.58588 658.9343       81.86875 44.46283 5.174133 55.93338 3.486327 -11.47055 
6.239081 
1 1 1 -4  10  24 o 142.1098 2.374644  4279.738       138.1935 4123.097       
219.1103 4383.206       178.0789 139.8861 3.730862 144.3334 2.938776 -4.447266 
4.749289 
1 1 1 -4  10  25 o 201.9027 3.579110  8695.009       297.2670 8212.389       
462.3200 9035.181       388.1405 196.9241 5.591971 206.8813 4.468777 -9.957260 
7.158220 
1 1 1 -4  10  26 o 40.76397 3.772117  347.5429       63.71621 379.7864       
100.0472 325.5417       82.64333 42.31190 5.632010 39.21603 5.019555 3.095867 
7.544234 
1 1 1 -4  10  27 f 81.58421 2.510207  1403.919       83.80733 1408.303       
134.5446 1401.140       107.1288 81.63964 3.925420 81.52878 3.129799 0.1108627 
5.020414 
1 1 1 -4  10  28 o 102.6305 2.158115  2220.891       92.79115 2239.685       
135.9807 2204.514       126.9385 103.0210 3.143926 102.2399 2.957290 0.7811737 
4.316230 
1 1 1 -4  10  29 o 78.57114 2.562541  1281.438       82.42859 1419.060       
134.9080 1199.456       104.1249 81.81423 3.927625 75.32803 3.292449 6.486198 
5.125082 
1 1 1 -4  10  30 o 119.7915 2.258988  3027.937       112.9601 3118.779       
170.1135 2956.291       151.0751 121.3489 3.339058 118.2341 3.043484 3.114784 
4.517976 
1 1 1 -4  10  31 o 50.35350 3.238400  518.4727       66.83061 700.3618       
108.2968 406.6038       84.93115 57.17189 4.511844 43.53511 4.646741 13.63678 
6.476799 
1 1 1 -4  10  32 o 69.46474 2.825589  1021.872       78.87673 1073.908       
133.6862 994.0844       97.69312 70.61672 4.509205 68.31276 3.406302 2.303963 
5.651179 
1 1 1 -4  10  33 o 33.24386 5.299524  249.2830       68.48711 297.0342       
121.7610 227.1843       82.83229 35.11709 8.366270 31.37063 6.507331 3.746460 
10.59905 
1 1 1 -4  10  34 o 54.13046 4.718266  677.3941       101.8287 625.0196       
168.2015 707.6951       127.9378 51.72338 7.745759 56.53755 5.389928 -4.814171 
9.436531 
1 1 1 -4  10  35 o 47.36451 4.333347  510.8403       85.84418 563.6313       
122.3021 459.5753       120.5215 49.95195 5.831799 44.77707 6.411062 5.174889 
8.666694 
1 1 1 -4  10  36 o 24.18454 5.894660  112.5585       82.15839 -0.7009289     
110.1096 254.8148       123.4024 17.30114 7.657268 31.06793 8.964057 -13.76679 
11.78932 
1 1 1 -4  10  37 o 32.03346 6.158881  273.5952       87.85365 186.0016       
118.1898 381.7567       131.3349 26.15833 8.945546 37.90859 8.467850 -11.75026 
12.31776 
1 1 1 -4  10  38 o 24.96846 6.319400  182.5642       85.48887 209.9769       
112.4331 144.9968       131.6206 26.88565 8.724442 23.05126 9.144582 3.834396 
12.63880 
1 1 1 -4  11  1  f 210.2897 4.028697  9100.067       317.6815 9744.599       
615.5106 8866.028       370.9012 215.1734 6.813464 205.4061 4.300967 9.767365 
8.057395 
1 1 1 -4  11  2  o 359.8477 4.173767  26931.60       568.9106 26540.65       
670.2222 27939.52       1076.154 355.3744 4.492145 364.3210 7.035762 -8.946533 
8.347533 
1 1 1 -4  11  3  o 299.5774 3.735808  18829.65       460.8862 18670.63       
595.1645 19067.87       728.4261 298.0447 4.756381 301.1101 5.762107 -3.065369 
7.471615 
1 1 1 -4  11  4  o 104.5692 1.681912  2277.857       73.22760 2432.516       
112.3564 2163.651       96.55039 107.6289 2.486510 101.5096 2.265520 6.119247 
3.363824 
1 1 1 -4  11  5  o 430.2643 4.578595  38989.95       812.1404 38752.16       
1273.375 39153.00       1054.435 429.0611 7.069006 431.4675 5.820935 -2.406403 
9.157190 
1 1 1 -4  11  6  o 347.9899 3.481221  25439.24       508.3533 24979.51       
705.7673 25934.91       732.8368 344.7291 4.876460 351.2508 4.969481 -6.521667 
6.962443 
1 1 1 -4  11  7  o 535.3461 5.246546  60136.32       1136.780 59557.26       
1425.767 61146.80       1883.431 532.0373 6.383039 538.6548 8.328373 -6.617493 
10.49309 
1 1 1 -4  11  8  o 248.4638 3.599025  12891.41       370.7074 12456.52       
483.5970 13511.11       577.2736 243.4415 4.731621 253.4861 5.424360 -10.04462 
7.198050 
1 1 1 -4  11  9  o 222.7195 2.529086  10422.58       236.4334 10206.99       
335.0764 10636.36       333.6627 220.4232 3.620825 225.0158 3.531960 -4.592575 
5.058173 
1 1 1 -4  11  10 f 382.2586 6.046439  30699.88       895.8062 31093.79       
1618.852 30526.04       1075.471 383.6991 10.04934 380.8181 6.726703 2.880981 
12.09288 
1 1 1 -4  11  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  11  12 o 382.3765 6.035464  30583.13       874.7473 31436.54       
1648.547 30248.69       1032.014 385.6736 10.18128 379.0793 6.484503 6.594330 
12.07093 
1 1 1 -4  11  13 o 130.4703 1.999338  3592.063       108.9816 3341.012       
158.4275 3817.570       150.1517 126.1183 2.992082 134.8223 2.652709 -8.704018 
3.998677 
1 1 1 -4  11  14 o 324.2165 4.218340  22176.53       508.4333 22018.05       
980.5152 22234.81       594.6204 323.2150 7.225767 325.2180 4.354981 -2.002991 
8.436680 
1 1 1 -4  11  15 o 102.4189 1.913691  2213.186       79.76657 2162.744       
129.1001 2244.332       101.4476 101.4626 3.030691 103.3753 2.337472 -1.912689 
3.827383 
1 1 1 -4  11  16 o 246.3483 3.233173  12596.70       280.7742 13077.80       
592.6509 12457.47       318.8246 249.2058 5.664504 243.4908 3.118820 5.714935 
6.466347 
1 1 1 -4  11  17 o 177.8236 2.435876  6676.321       170.8691 6560.438       
296.5921 6733.889       209.0466 176.6214 3.999791 179.0258 2.781303 -2.404419 
4.871753 
1 1 1 -4  11  18 o 186.9129 3.091611  7356.060       227.8173 7343.551       
397.4391 7362.183       278.0273 186.7108 5.070167 187.1150 3.539158 
-0.4042053     6.183222 
1 1 1 -4  11  19 o 245.2978 2.932749  12638.30       256.9899 12720.26       
528.0875 12612.87       294.1730 245.6373 5.120740 244.9583 2.860433 0.6789703 
5.865497 
1 1 1 -4  11  20 o 126.1896 2.461464  3355.860       126.4835 3329.076       
205.1902 3372.275       160.6308 125.7459 3.886725 126.6333 3.021357 
-0.8873825     4.922929 
1 1 1 -4  11  21 o 83.81012 2.376581  1474.866       82.83212 1503.512       
126.6782 1453.469       109.4794 84.50518 3.570588 83.11507 3.137428 1.390114 
4.753162 
1 1 1 -4  11  22 o 82.60522 2.347602  1443.375       80.04481 1398.063       
124.1355 1475.625       104.7246 81.46673 3.629415 83.74372 2.978638 -2.276993 
4.695203 
1 1 1 -4  11  23 o 54.57854 2.782201  653.5332       59.97230 544.7576       
98.83495 716.9245       75.45010 50.79268 4.634795 58.36441 3.079164 -7.571732 
5.564402 
1 1 1 -4  11  24 o 117.4356 2.161512  2914.168       103.9634 2847.248       
165.4241 2957.854       133.6571 116.2830 3.388471 118.5883 2.684548 -2.305328 
4.323024 
1 1 1 -4  11  25 o 153.4905 2.577125  4955.132       151.6438 4987.149       
278.9498 4941.701       180.6727 153.7233 4.322227 153.2578 2.807961 0.4654694 
5.154250 
1 1 1 -4  11  26 o 100.6030 2.622585  2064.778       104.9143 2350.024       
185.1136 1929.794       127.3408 105.4903 4.179717 95.71573 3.168877 9.774544 
5.245171 
1 1 1 -4  11  27 o 77.06250 2.515107  1250.288       79.59441 1268.894       
126.8924 1238.219       102.2000 77.49115 3.900358 76.63384 3.176518 0.8573074 
5.030214 
1 1 1 -4  11  28 o 64.10212 2.728860  864.2345       72.41093 900.5573       
113.2042 839.0817       94.20322 65.19701 4.135766 63.00723 3.561201 2.189789 
5.457720 
1 1 1 -4  11  29 o 99.92509 2.211465  2114.120       89.18663 2092.040       
147.6970 2126.792       111.8890 99.42489 3.538325 100.4253 2.653783 -1.000420 
4.422930 
1 1 1 -4  11  30 o 65.60059 2.733204  904.8230       74.01847 965.0482       
117.3152 864.9930       95.40501 67.33547 4.149840 63.86572 3.558152 3.469757 
5.466408 
1 1 1 -4  11  31 o 160.8568 3.358159  5436.303       202.4480 5829.767       
391.5476 5292.734       236.5164 163.9534 5.688338 157.7602 3.570958 6.193146 
6.716318 
1 1 1 -4  11  32 o 97.24448 2.713247  2011.089       105.7489 2060.786       
179.2269 1984.547       130.9774 97.89925 4.360586 96.58972 3.229882 1.309525 
5.426495 
1 1 1 -4  11  33 o 87.55996 2.706616  1602.992       92.99024 1769.063       
167.2361 1528.665       111.8808 90.43792 4.404540 84.68200 3.146920 5.755920 
5.413232 
1 1 1 -4  11  34 o 26.35191 5.519650  168.1668       64.82454 151.6292       
105.8627 178.0880       81.99511 25.34631 8.466197 27.35751 7.084466 -2.011198 
11.03930 
1 1 1 -4  11  35 o 38.00009 5.073319  344.6318       77.88723 364.3491       
113.3773 327.0104       107.1819 39.04014 7.186505 36.96004 7.162989 2.080097 
10.14664 
1 1 1 -4  11  36 f 42.53993 6.680716  424.4402       119.3160 424.4402       
119.3160 0.000000       0.000000 42.53993 6.680716 ?        ?        ? ? 
1 1 1 -4  11  37 o 25.82322 6.203660  180.2399       83.92714 228.3406       
111.0968 116.2981       128.0908 29.08675 8.542077 22.55969 8.998584 6.527060 
12.40732 
1 1 1 -4  11  38 o 32.62281 6.055161  286.9811       87.34466 177.1093       
112.9482 450.4346       137.7632 24.84579 8.722601 40.39983 8.400960 -15.55404 
12.11032 
1 1 1 -4  12  1  o 168.0051 2.339117  5930.944       163.4845 5943.715       
217.1667 5914.239       248.3654 168.2214 3.074914 167.7888 3.525731 0.4326019 
4.678235 
1 1 1 -4  12  2  o 157.3851 1.756517  5069.809       108.5932 4844.760       
130.7152 5571.110       195.0910 151.9000 2.049696 162.8703 2.853096 -10.97031 
3.513035 
1 1 1 -4  12  3  o 447.5257 3.956878  41272.29       642.2626 40466.46       
737.3299 43806.75       1307.626 438.8533 4.001875 456.1981 6.827336 -17.34482 
7.913755 
1 1 1 -4  12  4  o 221.7039 2.258881  10313.73       210.0855 10571.81       
304.5502 10079.43       290.1817 224.3457 3.233421 219.0621 3.155179 5.283600 
4.517761 
1 1 1 -4  12  5  o 319.4495 4.677763  21392.87       624.2338 20689.02       
836.2010 22278.85       938.1723 313.5694 6.351819 325.3295 6.868789 -11.76016 
9.355526 
1 1 1 -4  12  6  o 165.5146 2.279334  5732.857       157.6891 5540.903       
211.7999 5971.593       236.2026 162.4211 3.106020 168.6081 3.336779 -6.186920 
4.558668 
1 1 1 -4  12  7  o 289.7131 3.955232  17457.58       471.4189 16729.42       
603.2683 18599.61       755.5050 282.0854 5.093905 297.3407 6.052073 -15.25522 
7.910465 
1 1 1 -4  12  8  f 61.76624 1.921720  801.3334       49.79058 804.3089       
69.06708 798.1140       71.84403 61.88623 2.658264 61.64625 2.775908 0.2399864 
3.843440 
1 1 1 -4  12  9  o 190.6563 3.183616  7514.358       227.0033 7916.671       
440.0634 7368.491       264.9792 194.0237 5.402336 187.2889 3.369928 6.734741 
6.367232 
1 1 1 -4  12  10 o 151.4909 3.079045  4860.089       190.9454 4651.528       
302.5361 4998.175       246.1711 148.7473 4.844505 154.2345 3.801689 -5.487213 
6.158090 
1 1 1 -4  12  11 o 250.9203 3.676655  13156.54       365.2853 13491.65       
636.0585 12991.63       446.2054 253.2163 5.983104 248.6243 4.274766 4.591995 
7.353309 
1 1 1 -4  12  12 o 189.9730 2.508195  7522.895       176.4884 7709.458       
345.1321 7456.835       205.3710 191.5161 4.292409 188.4298 2.596035 3.086319 
5.016391 
1 1 1 -4  12  13 o 214.5299 3.722986  9679.813       315.5056 9686.606       
548.6290 9676.456       385.6579 214.5092 6.091916 214.5505 4.281478 
-0.4127502E-01 7.445971 
1 1 1 -4  12  14 o 57.05910 2.702586  708.7150       62.40938 560.3046       
95.19734 820.5751       82.64758 51.62204 4.392490 62.49617 3.149908 -10.87413 
5.405172 
1 1 1 -4  12  15 o 218.9907 2.986557  10039.48       249.5757 10190.80       
463.8457 9977.820       296.0889 220.0709 5.020327 217.9106 3.236419 2.160278 
5.973114 
1 1 1 -4  12  16 o 126.4266 2.282758  3238.565       109.1429 3636.389       
210.7692 3092.802       127.5805 131.5130 3.817327 121.3401 2.504385 10.17293 
4.565516 
1 1 1 -4  12  17 o 210.8305 3.192995  9383.813       262.3682 9275.897       
466.6076 9433.706       317.2755 209.8399 5.296449 211.8210 3.567702 -1.981110 
6.385990 
1 1 1 -4  12  18 o 281.0535 3.714789  16608.01       398.4887 16749.87       
738.9178 16549.84       473.1959 281.6594 6.248747 280.4475 4.018930 1.211914 
7.429578 
1 1 1 -4  12  19 o 139.6674 2.290656  4129.444       132.7104 3910.686       
200.9035 4298.795       176.7666 136.3416 3.509783 142.9932 2.944461 -6.651642 
4.581313 
1 1 1 -4  12  20 o 227.3046 2.844487  10800.28       235.3299 11048.82       
472.2809 10718.19       271.4257 228.8411 4.915722 225.7681 2.863581 3.073074 
5.688974 
1 1 1 -4  12  21 o 212.5742 2.561562  9501.646       208.7296 9552.097       
383.9418 9480.479       248.6910 212.8354 4.296775 212.3129 2.790003 0.5224457 
5.123124 
1 1 1 -4  12  22 o 190.7561 2.438011  7628.496       179.3515 7750.785       
327.3082 7576.021       214.4057 191.7238 4.066323 189.7885 2.690839 1.935349 
4.876023 
1 1 1 -4  12  23 o 51.53046 3.120373  579.5284       64.91026 474.4142       
101.0819 653.2903       84.67567 47.37358 5.082278 55.68732 3.621791 -8.313740 
6.240747 
1 1 1 -4  12  24 o 62.77817 2.856830  846.2711       73.34805 753.5286       
113.8354 912.1082       95.91192 59.74675 4.538204 65.80959 3.471398 -6.062847 
5.713659 
1 1 1 -4  12  25 o 117.3275 2.419513  2880.977       114.8873 2969.168       
190.9742 2830.957       143.8233 118.6743 3.833002 115.9807 2.953687 2.693611 
4.839025 
1 1 1 -4  12  26 o 128.0332 2.359761  3396.971       116.5750 3601.340       
214.6879 3311.518       138.8237 130.6226 3.914807 125.4438 2.635940 5.178833 
4.719522 
1 1 1 -4  12  27 o 107.1786 2.695061  2398.620       114.6116 2514.433       
199.6635 2341.706       139.9685 108.9766 4.364017 105.3807 3.163664 3.595924 
5.390122 
1 1 1 -4  12  28 o 43.84340 3.496880  402.3257       62.25113 434.8180       
103.6555 383.9957       77.85466 45.14003 5.469551 42.54677 4.358521 2.593266 
6.993761 
1 1 1 -4  12  29 o 33.95951 4.681851  263.8830       63.49938 207.4362       
99.18608 303.0862       82.65948 30.26237 7.768034 37.65665 5.228439 -7.394281 
9.363703 
1 1 1 -4  12  30 f 94.47173 2.445125  1897.162       95.51728 1860.981       
147.7136 1923.163       125.2198 93.61179 3.758470 95.33167 3.128650 -1.719872 
4.890250 
1 1 1 -4  12  31 f 57.98716 3.180529  736.4774       73.90105 662.9612       
120.8216 780.4218       93.41257 55.42518 5.192287 60.54914 3.674670 -5.123959 
6.361057 
1 1 1 -4  12  32 o 47.19518 3.676334  486.7403       69.80146 473.1254       
115.5587 494.5613       87.58485 46.43389 5.927735 47.95646 4.350137 -1.522575 
7.352669 
1 1 1 -4  12  33 o 67.71912 2.881350  964.4872       78.76029 1072.622       
133.6819 906.9967       97.47381 70.35555 4.525799 65.08268 3.567332 5.272873 
5.762701 
1 1 1 -4  12  34 o 51.54993 3.421546  587.4479       71.38587 561.8010       
115.9312 603.1112       90.59888 50.32413 5.487129 52.77574 4.088929 -2.451611 
6.843093 
1 1 1 -4  12  35 o 51.07441 3.575023  556.4678       74.33844 672.4025       
124.8970 492.8646       92.50916 54.82462 5.426221 47.32421 4.656102 7.500412 
7.150046 
1 1 1 -4  12  36 o 41.83672 4.930304  418.6196       84.40149 454.1013       
119.2921 383.0550       119.4315 44.17149 6.432662 39.50193 7.473450 4.669559 
9.860608 
1 1 1 -4  12  37 f 27.87038 10.40917  225.1264       163.6252 225.1264       
163.6252 0.000000       0.000000 27.87038 10.40917 ?        ?        ? ? 
1 1 1 -4  12  38 o 26.29043 6.257849  204.6804       84.78332 245.8069       
111.8238 149.0735       130.0283 29.31682 8.557320 23.26404 9.133181 6.052780 
12.51570 
1 1 1 -4  13  1  o 132.6168 2.384240  3703.918       122.0987 3670.783       
221.0053 3718.476       146.4834 132.1694 3.982839 133.0641 2.622096 
-0.8946991     4.768479 
1 1 1 -4  13  2  o 52.25378 2.069046  568.8255       44.74662 716.5751       
66.45898 446.3040       60.51974 58.41236 2.710004 46.09519 3.127249 12.31717 
4.138093 
1 1 1 -4  13  3  o 131.2655 1.671388  3622.477       91.93752 3540.927       
133.2935 3696.479       126.9751 129.8531 2.444993 132.6779 2.279507 -2.824799 
3.342775 
1 1 1 -4  13  4  o 139.4935 2.123005  4078.182       123.1041 4025.895       
162.5480 4148.511       188.5150 138.4524 2.796418 140.5345 3.195097 -2.082123 
4.246010 
1 1 1 -4  13  5  o 166.7724 1.916645  5807.916       132.2329 5654.492       
171.8181 6030.806       207.0948 164.0922 2.494032 169.4526 2.910999 -5.360413 
3.833290 
1 1 1 -4  13  6  o 279.0690 3.245005  16250.93       366.9215 15927.11       
459.7680 16818.93       608.9169 275.3140 3.977695 282.8241 5.128173 -7.510071 
6.490009 
1 1 1 -4  13  7  o 458.5134 3.806967  44223.16       730.2731 44334.71       
992.7737 44091.63       1078.008 459.1794 5.149783 457.8474 5.608184 1.332062 
7.613934 
1 1 1 -4  13  8  o 427.6028 5.523914  38076.88       772.8288 39267.87       
1800.581 37807.92       855.6522 431.1306 9.947751 424.0751 4.805909 7.055481 
11.04783 
1 1 1 -4  13  9  o 81.54489 2.617177  1428.412       80.14417 1326.574       
149.4918 1469.488       94.94094 79.44225 4.482156 83.64752 2.703470 -4.205269 
5.234354 
1 1 1 -4  13  10 o 180.7210 4.154938  6688.062       271.8369 7237.951       
557.4578 6516.510       311.3658 185.3593 7.163392 176.0828 4.211871 9.276489 
8.309875 
1 1 1 -4  13  11 o 208.4738 2.515550  9162.719       215.0327 8985.109       
341.4351 9279.474       276.8311 206.7724 3.933115 210.1752 3.137289 -3.402832 
5.031101 
1 1 1 -4  13  12 o 205.1852 2.336518  8676.999       160.2552 9124.997       
365.0352 8570.041       178.3624 208.3515 4.173104 202.0189 2.102967 6.332596 
4.673036 
1 1 1 -4  13  13 o 180.3981 2.270962  6848.254       162.4939 6804.263       
279.8050 6870.642       199.6020 179.9342 3.703929 180.8619 2.628687 
-0.9276733     4.541925 
1 1 1 -4  13  14 o 112.2931 2.044019  2651.298       96.24473 2499.355       
136.1303 2803.154       136.0909 109.0711 2.972804 115.5151 2.806154 -6.444008 
4.088038 
1 1 1 -4  13  15 f 422.1455 6.302178  37664.63       1043.854 37882.64       
1840.085 37561.18       1267.550 422.4227 10.37556 421.8683 7.156641 0.5544739 
12.60436 
1 1 1 -4  13  16 o 293.1572 3.566211  18218.55       402.5585 17785.67       
729.2657 18408.26       482.7763 290.4539 5.980392 295.8605 3.886690 -5.406647 
7.132423 
1 1 1 -4  13  17 o 232.3739 3.919054  11157.03       338.5182 11873.21       
663.8902 10905.40       393.5191 237.0901 6.669663 227.6577 4.117224 9.432404 
7.838109 
1 1 1 -4  13  18 o 137.6207 2.193305  3990.182       117.0066 3960.618       
210.4011 4003.418       140.7840 137.2090 3.652467 138.0324 2.429368 
-0.8233643     4.386610 
1 1 1 -4  13  19 o 119.8890 2.118960  3041.414       105.4304 2884.774       
159.3833 3163.280       140.5824 117.1096 3.241691 122.6685 2.729727 -5.558907 
4.237921 
1 1 1 -4  13  20 o 87.52204 1.927821  1600.300       68.78223 1653.581       
112.3762 1568.382       86.97773 88.66284 3.018936 86.38124 2.398334 2.281601 
3.855643 
1 1 1 -4  13  21 o 211.5775 2.727646  9515.939       228.8513 9176.224       
391.0491 9692.893       282.2287 208.5428 4.466396 214.6122 3.132333 -6.069427 
5.455292 
1 1 1 -4  13  22 o 121.2332 2.353796  3125.462       116.6858 2951.683       
184.6892 3240.913       150.5361 118.3551 3.716854 124.1113 2.889019 -5.756233 
4.707593 
1 1 1 -4  13  23 o 89.60195 2.345893  1715.003       86.13305 1564.875       
134.0686 1820.520       112.3978 86.18125 3.705402 93.02265 2.877995 -6.841400 
4.691787 
1 1 1 -4  13  24 o 122.0587 2.403587  3111.040       119.2767 3241.481       
196.5611 3035.013       150.0636 124.0218 3.775032 120.0957 2.976247 3.926079 
4.807173 
1 1 1 -4  13  25 o 154.8284 2.409051  5070.081       148.9310 4984.137       
252.1768 5116.112       184.5540 153.7306 3.907203 155.9262 2.819197 -2.195572 
4.818102 
1 1 1 -4  13  26 o 102.4596 2.391232  2172.172       97.52452 2341.089       
169.8565 2089.103       119.1148 105.3120 3.841718 99.60733 2.848363 5.704628 
4.782465 
1 1 1 -4  13  27 o 208.2195 3.227853  9134.869       255.5804 9323.218       
477.8846 9059.413       302.4733 209.2878 5.438765 207.1513 3.477926 2.136414 
6.455705 
1 1 1 -4  13  28 o 159.2356 3.283989  5430.286       208.7908 5246.975       
351.6096 5530.132       259.4958 156.8326 5.340049 161.6385 3.823900 -4.805878 
6.567978 
1 1 1 -4  13  29 o 122.9783 2.285879  3146.607       114.1968 3395.496       
189.9272 3005.681       142.9159 126.6296 3.572508 119.3270 2.852746 7.302597 
4.571758 
1 1 1 -4  13  30 o 100.4004 2.686063  2069.086       107.3540 2370.312       
189.1216 1925.882       130.3989 105.4467 4.271981 95.35406 3.257287 10.09261 
5.372126 
1 1 1 -4  13  31 o 58.50936 3.071091  729.0731       72.98366 749.1143       
120.0391 717.3199       91.92618 59.00217 4.845915 58.01655 3.774056 0.9856186 
6.142182 
1 1 1 -4  13  32 o 120.7133 2.668257  3142.348       133.3858 2930.790       
201.9110 3306.169       177.6765 116.8681 4.115145 124.5586 3.397640 -7.690521 
5.336514 
1 1 1 -4  13  33 o 76.05447 2.908184  1196.943       87.57430 1398.989       
156.4466 1104.743       105.6835 80.26550 4.642567 71.84343 3.503814 8.422073 
5.816368 
1 1 1 -4  13  34 o 56.60051 3.285308  663.8654       75.64841 856.6233       
127.8443 560.0106       93.84011 62.48135 4.873626 50.71967 4.406900 11.76168 
6.570616 
1 1 1 -4  13  35 o 35.64077 4.692514  283.2083       67.43082 366.9824       
110.9844 234.1887       84.89703 39.88918 6.627167 31.39236 6.645254 8.496813 
9.385028 
1 1 1 -4  13  36 o 19.43992 5.272968  72.89039       62.16430 34.96991       
93.13971 103.3523       83.47879 17.67932 7.420825 21.20052 7.493205 -3.521202 
10.54594 
1 1 1 -4  13  37 o 50.07269 3.696108  533.1524       74.76252 741.9660       
128.8699 427.2213       91.78754 56.80032 5.404079 43.34506 5.043885 13.45526 
7.392215 
1 1 1 -4  13  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  14  1  o 367.4820 5.842247  28875.04       835.6831 27449.70       
1473.932 29550.31       1014.505 360.3470 9.742664 374.6170 6.450417 -14.27002 
11.68449 
1 1 1 -4  14  2  o 233.5401 2.230971  11472.60       218.4464 11019.80       
312.8786 11903.24       305.1271 229.0329 3.253861 238.0473 3.053083 -9.014435 
4.461942 
1 1 1 -4  14  3  o 371.0200 3.707299  28665.83       515.3101 28324.81       
603.2341 29586.62       991.2298 367.1353 3.913639 374.9046 6.297593 -7.769318 
7.414597 
1 1 1 -4  14  4  o 273.2311 3.514863  15582.81       386.0985 15306.05       
479.0921 16095.60       652.1309 269.8600 4.228649 276.6021 5.615654 -6.742096 
7.029725 
1 1 1 -4  14  5  o 342.1281 4.520504  24653.34       648.2679 24880.79       
894.1133 24401.26       941.2827 343.8221 6.194123 340.4341 6.585793 3.387970 
9.041008 
1 1 1 -4  14  6  o 251.1520 2.569298  13085.03       264.5699 12513.96       
336.2169 14013.66       428.7466 244.0682 3.281175 258.2357 3.954625 -14.16756 
5.138597 
1 1 1 -4  14  7  o 80.52190 2.057112  1358.121       68.90648 1388.953       
105.3212 1335.047       91.11266 81.31575 3.085051 79.72805 2.722003 1.587700 
4.114224 
1 1 1 -4  14  8  o 244.5690 4.132588  12462.82       383.0843 12874.89       
723.1044 12302.04       451.6774 247.2261 6.966710 241.9118 4.447258 5.314331 
8.265177 
1 1 1 -4  14  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  14  10 o 300.6033 5.349827  19087.87       650.0981 18922.25       
1073.240 19183.86       817.0480 299.3895 8.538497 301.8171 6.447997 -2.427612 
10.69965 
1 1 1 -4  14  11 o 194.3997 2.874026  7932.242       226.0226 7987.119       
374.0551 7900.682       283.6646 194.8936 4.571504 193.9059 3.484457 0.9877167 
5.748051 
1 1 1 -4  14  12 o 101.3764 2.089612  2162.358       88.27773 2130.797       
132.6809 2187.427       118.2489 100.7066 3.138133 102.0461 2.760080 -1.339493 
4.179225 
1 1 1 -4  14  13 o 371.4469 4.103164  28396.16       457.7636 30012.39       
1194.519 28117.95       495.5990 377.0881 7.545210 365.8057 3.227015 11.28241 
8.206328 
1 1 1 -4  14  14 o 243.3341 3.144974  12415.32       287.6429 12546.32       
547.5389 12365.38       338.0479 244.1048 5.342687 242.5633 3.319511 1.541489 
6.289949 
1 1 1 -4  14  15 o 204.8644 2.772393  8796.816       220.0580 8902.701       
397.9651 8750.181       264.1091 205.6779 4.608698 204.0508 3.082947 1.627136 
5.544787 
1 1 1 -4  14  16 f 105.2547 2.242655  2363.221       96.66503 2156.735       
150.7734 2507.333       125.9588 101.2751 3.546035 109.2342 2.746570 -7.959122 
4.485310 
1 1 1 -4  14  17 o 137.4144 2.319027  3876.341       123.8094 4217.554       
226.5629 3731.061       147.8356 141.5829 3.811526 133.2458 2.642692 8.337097 
4.638055 
1 1 1 -4  14  18 o 111.0451 1.965179  2586.303       88.23591 2613.773       
146.3327 2570.609       110.6053 111.4866 3.126365 110.6035 2.381924 0.8830872 
3.930359 
1 1 1 -4  14  19 o 189.6680 2.672566  7526.093       196.4640 7700.269       
355.9771 7449.802       235.5937 191.1277 4.436285 188.2083 2.981577 2.919418 
5.345131 
1 1 1 -4  14  20 o 60.52370 2.569987  769.6643       64.42513 782.1002       
99.98582 760.8358       84.24484 60.92556 3.908948 60.12183 3.337584 0.8037300 
5.139975 
1 1 1 -4  14  21 o 145.4050 2.320430  4472.556       140.1693 4290.622       
211.7936 4614.351       186.9765 142.7276 3.534485 148.0824 3.007492 -5.354889 
4.640861 
1 1 1 -4  14  22 o 135.6476 2.498580  3855.779       137.6880 3954.343       
226.5180 3798.022       173.3985 136.9591 3.939425 134.3360 3.074497 2.623123 
4.997159 
1 1 1 -4  14  23 o 175.6513 3.318076  6570.616       241.6544 6107.587       
364.0513 6935.341       323.1032 169.9778 5.101425 181.3249 4.244289 -11.34712 
6.636153 
1 1 1 -4  14  24 f 178.7039 3.284058  6665.270       227.7274 6952.202       
413.4995 6540.354       272.8313 181.2326 5.434502 176.1752 3.688676 5.057358 
6.568115 
1 1 1 -4  14  25 o 97.19438 2.106948  1991.809       82.94891 1976.878       
136.3507 2000.581       104.5132 96.86784 3.352731 97.52093 2.552669 
-0.6530838     4.213897 
1 1 1 -4  14  26 o 116.6235 2.650616  2847.024       125.0535 2960.853       
208.4783 2783.048       156.2933 118.3462 4.195921 114.9007 3.239954 3.445549 
5.301232 
1 1 1 -4  14  27 o 187.3882 2.384669  7299.621       167.9630 7667.982       
322.5522 7162.576       196.7424 190.3541 4.036071 184.4222 2.541006 5.931870 
4.769338 
1 1 1 -4  14  28 o 18.24634 4.908340  26.03185       61.58199 -100.2705      
98.41125 107.3194       78.94982 13.95515 6.551562 22.53753 7.310556 -8.582381 
9.816679 
1 1 1 -4  14  29 o 16.80326 4.912102  -6.033412      63.16585 -105.1330      
95.94881 69.76817       83.91560 13.54853 6.390437 20.05799 7.461723 -6.509457 
9.824204 
1 1 1 -4  14  30 o 47.60361 3.542877  457.1758       68.62776 625.9172       
115.1860 364.3118       85.45006 53.99090 5.081594 41.21633 4.938148 12.77457 
7.085754 
1 1 1 -4  14  31 o 59.68782 3.090188  774.4645       75.10456 714.7621       
119.1510 813.8232       96.74353 57.58422 4.928505 61.79143 3.729192 -4.207214 
6.180375 
1 1 1 -4  14  32 o 53.44542 3.318705  582.4689       72.27889 786.2477       
120.9183 469.1785       90.15899 60.27800 4.778089 46.61283 4.607068 13.66517 
6.637410 
1 1 1 -4  14  33 o 67.89609 2.770381  988.0661       77.91138 1015.476       
121.1073 968.7121       101.7661 68.56948 4.206882 67.22270 3.605855 1.346779 
5.540762 
1 1 1 -4  14  34 o 44.61467 3.901889  439.5854       71.40855 456.3422       
114.4875 428.9157       91.35674 45.05349 6.052723 44.17586 4.925799 0.8776321 
7.803778 
1 1 1 -4  14  35 o 61.64026 3.047740  765.1816       73.29639 1018.541       
137.5124 664.6344       86.62804 67.88026 4.825244 55.40026 3.724498 12.48000 
6.095479 
1 1 1 -4  14  36 o 16.16138 5.082850  -6.971112      68.16566 -12.01558      
108.5991 -3.691596      87.56361 16.77423 7.500473 15.54854 6.861805 1.225698 
10.16570 
1 1 1 -4  14  37 o 25.19492 5.578219  170.0166       70.51727 92.12869       
111.0110 222.7067       91.30515 20.90214 8.362746 29.48769 7.384482 -8.585543 
11.15644 
1 1 1 -4  14  38 o 25.15641 5.966516  183.7288       76.99772 131.0185       
125.1671 215.8192       97.66291 22.36205 8.902958 27.95076 7.945727 -5.588713 
11.93303 
1 1 1 -4  15  1  o 284.7656 4.311031  17031.68       507.5864 17345.12       
792.9410 16814.08       660.6914 286.9018 6.583074 282.6293 5.568041 4.272430 
8.622062 
1 1 1 -4  15  2  o 240.9692 2.410735  12200.61       243.8607 12169.71       
342.1393 12232.51       347.6695 240.6607 3.386249 241.2777 3.432184 
-0.6169586     4.821469 
1 1 1 -4  15  3  o 259.4049 2.400645  14117.08       260.3679 13907.40       
351.3702 14372.41       387.7422 257.2821 3.252943 261.5277 3.531396 -4.245636 
4.801291 
1 1 1 -4  15  4  o 331.2932 4.217617  23158.40       576.1737 23392.85       
749.6600 22820.02       900.6183 333.4384 5.355128 329.1479 6.517345 4.290436 
8.435234 
1 1 1 -4  15  5  o 281.7870 2.797015  16607.35       328.5394 17347.29       
499.6258 16043.67       436.0800 287.2729 4.142584 276.3012 3.759278 10.97162 
5.594030 
1 1 1 -4  15  6  o 48.72729 2.500541  496.9132       50.98284 558.2377       
74.50839 442.9213       69.91215 51.54419 3.443075 45.91038 3.627127 5.633812 
5.001082 
1 1 1 -4  15  7  o 229.3297 3.997358  10895.64       358.2297 11539.21       
644.6181 10608.08       430.8924 234.0501 6.560164 224.6092 4.569434 9.440948 
7.994716 
1 1 1 -4  15  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  15  9  o 104.4034 2.347560  2299.359       100.7865 2244.182       
158.4953 2336.818       130.5907 103.3373 3.653256 105.4695 2.949214 -2.132141 
4.695119 
1 1 1 -4  15  10 o 98.49887 1.832375  1996.928       73.06834 2189.024       
122.9749 1892.103       90.84289 102.0801 2.869437 94.91767 2.279633 7.162392 
3.664750 
1 1 1 -4  15  11 o 92.50932 2.029427  1798.430       77.57384 1794.715       
120.8712 1801.031       101.1550 92.42165 3.115087 92.59700 2.602025 
-0.1753464     4.058855 
1 1 1 -4  15  12 o 388.1460 4.415856  31614.57       643.2677 32057.01       
1228.129 31447.31       755.1380 389.6676 7.507075 386.6244 4.652198 3.043274 
8.831712 
1 1 1 -4  15  13 o 213.6740 3.623678  9621.287       306.8328 9583.729       
529.5374 9640.271       376.4736 213.2569 5.914454 214.0911 4.188486 
-0.8341980     7.247356 
1 1 1 -4  15  14 o 105.5407 2.181779  2350.223       95.22605 2285.441       
146.9295 2397.142       125.0426 104.2704 3.356362 106.8109 2.788453 -2.540512 
4.363557 
1 1 1 -4  15  15 o 131.1806 2.514852  3612.937       134.7633 3643.141       
217.7284 3594.180       171.5793 131.5985 3.940808 130.7628 3.125371 0.8356476 
5.029703 
1 1 1 -4  15  16 o 82.68864 2.004552  1456.911       68.15516 1326.620       
104.9446 1551.948       89.62907 79.43533 3.146789 85.94196 2.484075 -6.506630 
4.009104 
1 1 1 -4  15  17 o 61.77906 2.515051  800.0626       64.13962 818.8399       
100.8555 787.3111       83.11195 62.37346 3.851420 61.18467 3.235504 1.188786 
5.030101 
1 1 1 -4  15  18 o 140.9585 2.620391  4118.283       143.9900 4355.311       
260.1845 4013.640       172.8766 143.7674 4.310645 138.1497 2.980626 5.617645 
5.240781 
1 1 1 -4  15  19 o 125.0816 2.241774  3291.027       114.1658 3295.843       
185.7246 3288.102       144.7414 125.1194 3.535623 125.0438 2.757093 
0.7553864E-01  4.483547 
1 1 1 -4  15  20 o 82.17781 2.378006  1430.958       80.13287 1377.555       
126.5532 1466.698       103.5319 80.86210 3.727772 83.49352 2.953536 -2.631424 
4.756012 
1 1 1 -4  15  21 o 117.7367 2.323062  2862.450       108.7319 3090.967       
189.9776 2751.127       132.5974 121.1130 3.736223 114.3605 2.761723 6.752510 
4.646124 
1 1 1 -4  15  22 o 95.90879 1.897038  1917.438       74.07538 2004.194       
121.7306 1866.422       93.34808 97.59519 2.970930 94.22239 2.359784 3.372803 
3.794075 
1 1 1 -4  15  23 o 152.7319 2.278962  4729.213       121.9809 5243.483       
263.6390 4589.135       137.5945 157.7062 3.981822 147.7576 2.218055 9.948608 
4.557924 
1 1 1 -4  15  24 o 100.0787 2.429041  2118.345       100.9250 2048.889       
153.2661 2171.519       134.1044 98.59649 3.702591 101.5610 3.145120 -2.964485 
4.858081 
1 1 1 -4  15  25 o 51.10191 3.309689  537.0814       69.60687 629.6570       
112.8363 480.2100       88.43972 54.53719 4.928073 47.66663 4.419306 6.870564 
6.619379 
1 1 1 -4  15  26 o 102.3903 2.370515  2192.190       97.12424 2274.636       
165.8701 2149.175       119.8117 103.7708 3.807274 101.0098 2.825250 2.760986 
4.741031 
1 1 1 -4  15  27 o 79.88945 2.560044  1356.395       84.65240 1302.093       
129.6863 1396.710       111.7412 78.43841 3.938096 81.34048 3.272109 -2.902077 
5.120087 
1 1 1 -4  15  28 o 132.0632 2.307803  3712.528       124.7654 3557.775       
197.6542 3815.032       160.8640 129.6550 3.631097 134.4713 2.849379 -4.816284 
4.615607 
1 1 1 -4  15  29 o 106.9912 2.822972  2359.459       117.2589 2621.883       
215.6250 2249.267       139.7255 110.8709 4.632364 103.1115 3.227674 7.759407 
5.645944 
1 1 1 -4  15  30 o 128.6989 2.539399  3423.730       128.7672 3793.013       
230.1381 3255.433       155.3629 133.3781 4.109840 124.0195 2.983859 9.358597 
5.078799 
1 1 1 -4  15  31 o 93.62247 2.830993  1845.687       106.1001 1967.829       
181.9626 1782.768       130.5994 95.69624 4.529062 91.54869 3.397896 4.147545 
5.661987 
1 1 1 -4  15  32 o 54.75034 3.354600  620.8101       75.13392 782.0124       
124.6386 528.7944       94.16676 60.01671 4.946539 49.48396 4.532671 10.53275 
6.709199 
1 1 1 -4  15  33 o 51.93314 3.423018  589.7203       73.04028 581.3394       
115.1592 595.3607       94.47419 51.41319 5.335132 52.45309 4.290058 -1.039902 
6.846037 
1 1 1 -4  15  34 o 43.93636 3.616617  420.9261       66.14870 467.5831       
101.9298 386.9797       86.94398 45.93985 5.284852 41.93286 4.938626 4.006992 
7.233234 
1 1 1 -4  15  35 o 28.19536 5.683990  187.4152       70.28658 263.9002       
112.8640 138.9608       89.83261 32.38352 8.270912 24.00721 7.798910 8.376312 
11.36798 
1 1 1 -4  15  36 o 52.15599 3.733226  612.9801       80.11736 620.8836       
126.4400 607.6780       103.5605 52.06841 5.784039 52.24358 4.721524 
-0.1751671     7.466451 
1 1 1 -4  15  37 o 28.82555 5.866485  220.7369       73.96410 242.7710       
115.2566 205.3094       96.44213 29.75128 8.688814 27.89983 7.884610 1.851446 
11.73297 
1 1 1 -4  15  38 o 58.67804 3.531211  807.8503       84.38992 752.3788       
133.0713 845.1674       109.1447 56.20138 5.639733 61.15470 4.251026 -4.953320 
7.062423 
1 1 1 -4  16  1  o 42.97774 4.319822  388.5235       77.94501 388.5235       
77.94501 0.000000       0.000000 42.97774 4.319822 ?        ?        ? ? 
1 1 1 -4  16  2  o 75.06058 2.246227  1186.175       70.38445 1030.069       
98.58416 1348.475       100.5214 70.00937 3.354070 80.11179 2.988706 -10.10242 
4.492455 
1 1 1 -4  16  3  o 33.78463 2.776129  240.3772       39.30323 225.6679       
55.95330 254.7036       55.22028 32.76075 4.068112 34.80850 3.778630 -2.047752 
5.552258 
1 1 1 -4  16  4  o 78.95844 1.864320  1297.898       61.33076 1221.114       
80.98025 1401.184       93.92096 76.24635 2.529771 81.67054 2.739165 -5.424194 
3.728641 
1 1 1 -4  16  5  o 142.3490 1.883673  4269.007       110.0923 4195.694       
174.2516 4317.715       142.0306 141.3185 2.936966 143.3796 2.359477 -2.061111 
3.767346 
1 1 1 -4  16  6  o 96.86984 2.023545  1940.227       80.19747 2106.317       
131.0861 1840.874       101.3851 100.1237 3.118466 93.61603 2.579556 6.507637 
4.047090 
1 1 1 -4  16  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  16  8  o 114.0465 2.069322  2689.946       94.75517 2876.353       
161.7598 2592.570       116.9135 116.9948 3.293254 111.0983 2.506562 5.896477 
4.138644 
1 1 1 -4  16  9  f 161.4174 2.329771  5470.922       147.1322 5488.193       
260.8233 5462.861       178.1905 161.5721 3.845042 161.2626 2.631915 0.3094330 
4.659542 
1 1 1 -4  16  10 o 88.44919 2.201195  1643.366       80.33739 1646.938       
125.8663 1640.911       104.3603 88.52195 3.386723 88.37643 2.812677 0.1455154 
4.402391 
1 1 1 -4  16  11 o 299.3462 3.625387  18663.51       386.5083 19248.81       
802.5228 18486.75       441.0271 302.1400 6.326599 296.5524 3.542297 5.587555 
7.250773 
1 1 1 -4  16  12 o 237.4037 2.897811  11835.13       249.5646 11894.38       
501.2592 11815.60       287.7660 237.6779 5.023363 237.1294 2.890514 0.5484619 
5.795623 
1 1 1 -4  16  13 o 27.81227 4.476206  167.2805       50.47491 184.9914       
79.12728 155.1292       65.54136 29.02900 6.634550 26.59554 6.010693 2.433456 
8.952412 
1 1 1 -4  16  14 o 127.3855 2.447205  3401.745       124.1454 3445.269       
213.0111 3379.356       152.7742 127.9664 3.964856 126.8046 2.869697 1.161789 
4.894410 
1 1 1 -4  16  15 o 99.81261 2.306201  2082.131       93.96351 2148.719       
152.9324 2041.750       119.0941 101.0680 3.604183 98.55725 2.878212 2.510719 
4.612401 
1 1 1 -4  16  16 o 97.91965 2.051639  2033.831       83.45824 1861.274       
124.0680 2176.448       112.7917 94.07938 3.141134 101.7599 2.640107 -7.680527 
4.103278 
1 1 1 -4  16  17 o 170.1432 2.250799  5988.055       146.6684 6336.236       
273.5824 5847.625       173.7464 173.4874 3.756135 166.7989 2.481096 6.688538 
4.501598 
1 1 1 -4  16  18 o 208.8241 2.585741  9191.869       203.7775 9159.756       
383.9452 9204.463       240.4368 208.4292 4.387648 209.2190 2.737291 
-0.7897797     5.171481 
1 1 1 -4  16  19 o 30.86177 3.804048  200.9053       47.80352 244.8945       
73.05568 167.9681       63.21568 34.04263 5.111543 27.68092 5.635180 6.361710 
7.608096 
1 1 1 -4  16  20 o 179.0524 3.128312  6712.226       221.4010 6924.717       
387.2680 6609.054       269.8489 180.9852 5.096706 177.1195 3.628902 3.865692 
6.256624 
1 1 1 -4  16  21 f 89.98524 2.205392  1689.015       80.63773 1764.114       
133.1508 1645.518       101.3342 91.52279 3.465258 88.44769 2.728920 3.075104 
4.410784 
1 1 1 -4  16  22 o 83.35201 2.291387  1458.057       78.96320 1488.008       
123.4465 1437.315       102.7281 84.05482 3.498141 82.64921 2.960546 1.405609 
4.582774 
1 1 1 -4  16  23 o 234.6657 3.260738  11595.17       296.5814 11716.44       
535.5010 11541.50       356.2011 235.2823 5.421159 234.0492 3.625009 1.233063 
6.521477 
1 1 1 -4  16  24 o 97.95227 2.487770  1984.729       98.82514 2162.840       
165.3968 1885.836       123.2439 101.2649 3.890354 94.63962 3.101798 6.625313 
4.975541 
1 1 1 -4  16  25 o 147.8264 2.028466  4587.430       116.9820 4640.467       
208.8652 4563.188       141.2083 148.3618 3.353243 147.2910 2.283521 1.070892 
4.056933 
1 1 1 -4  16  26 o 207.9056 3.854591  9260.036       331.2005 8831.482       
508.7821 9575.187       436.3034 203.4262 5.957253 212.3850 4.893120 -8.958755 
7.709182 
1 1 1 -4  16  27 o 57.04544 2.972207  684.8976       68.51277 708.0287       
114.3306 671.9371       85.58096 57.71918 4.718059 56.37170 3.616072 1.347488 
5.944414 
1 1 1 -4  16  28 o 54.08295 3.174382  623.3472       70.85316 615.4229       
110.4421 628.8899       92.36635 53.72310 4.896601 54.44281 4.041051 
-0.7197075     6.348763 
1 1 1 -4  16  29 o 62.77457 3.112625  840.1061       82.01414 861.3247       
116.0525 818.9366       115.9186 63.57818 4.347781 61.97095 4.455393 1.607231 
6.225249 
1 1 1 -4  16  30 o 70.71219 2.732408  1068.723       80.63103 1027.207       
119.3755 1103.554       109.3429 69.38100 4.098224 72.04338 3.615077 -2.662384 
5.464816 
1 1 1 -4  16  31 o 27.66526 5.504713  166.1207       68.94950 257.7769       
106.6462 100.2933       90.37907 33.24654 7.772030 22.08398 7.797627 11.16256 
11.00943 
1 1 1 -4  16  32 o 122.9195 3.360152  3216.381       165.8885 3482.740       
283.1172 3077.125       204.7103 126.2059 5.343277 119.6331 4.075768 6.572830 
6.720304 
1 1 1 -4  16  33 o 41.46822 4.338220  375.3222       74.61250 459.7799       
116.1345 315.9579       97.36544 45.36109 6.098161 37.57536 6.171956 7.785732 
8.676439 
1 1 1 -4  16  34 o 27.42836 5.310045  189.0384       71.26451 62.91101       
110.1390 279.8719       93.46721 20.33793 8.249509 34.51880 6.688192 -14.18088 
10.62009 
1 1 1 -4  16  35 o 41.75664 3.855087  392.3899       66.95915 387.6466       
101.2237 396.0802       89.28509 41.33230 5.833290 42.18097 5.041775 
-0.8486671     7.710173 
1 1 1 -4  16  36 o 31.80584 5.572426  249.2979       76.11216 363.2060       
115.9070 162.9421       100.9202 38.29907 7.475136 25.31261 8.266200 12.98647 
11.14485 
1 1 1 -4  16  37 o 54.59197 3.720324  670.6115       84.25536 815.7585       
131.2867 568.9671       109.8648 59.50137 5.255509 49.68257 5.267150 9.818794 
7.440648 
1 1 1 -4  16  38 f 40.51530 4.912199  411.9846       81.25307 484.7866       
123.4037 356.2671       107.9575 44.04889 6.672897 36.98173 7.210495 7.067158 
9.824398 
1 1 1 -4  17  1  o 152.4864 2.532022  4947.830       156.1770 4664.334       
254.0069 5120.147       198.0330 148.8941 4.063396 156.0788 3.022142 -7.184738 
5.064043 
1 1 1 -4  17  2  o 111.6334 3.235817  2619.559       151.6551 0.000000       
0.000000 2619.559       151.6551 ?        ?        111.6334 3.235817 ? ? 
1 1 1 -4  17  3  o 83.76889 1.937252  1474.799       67.64158 1477.661       
90.44824 1471.167       101.8899 83.86584 2.568834 83.67194 2.900496 0.1939087 
3.874505 
1 1 1 -4  17  4  o 176.9127 2.038048  6568.895       150.2694 6639.424       
227.1941 6514.045       200.3538 177.7457 3.044520 176.0797 2.710249 1.665970 
4.076095 
1 1 1 -4  17  5  o 224.2590 3.266314  10517.81       299.8687 10876.01       
484.4834 10295.38       381.7872 227.2765 5.077449 221.2415 4.110322 6.034973 
6.532629 
1 1 1 -4  17  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  17  7  o 123.2734 2.432748  3189.980       125.7968 3379.363       
181.4236 3014.614       174.5808 126.7939 3.408132 119.7528 3.472418 7.041138 
4.865496 
1 1 1 -4  17  8  o 145.5201 2.431805  4492.917       143.4687 4287.320       
232.8795 4618.678       182.1371 142.7839 3.884839 148.2564 2.926214 -5.472488 
4.863610 
1 1 1 -4  17  9  o 193.8881 3.371845  7958.631       260.1714 7769.523       
442.8468 8058.305       321.5064 192.0312 5.492915 195.7450 3.912190 -3.713837 
6.743689 
1 1 1 -4  17  10 f 28.49747 4.153801  187.8918       47.84868 116.6003       
74.67737 237.5453       62.32253 23.39742 7.035235 33.59751 4.418339 -10.20009 
8.307602 
1 1 1 -4  17  11 o 140.3743 2.373309  4060.321       131.6219 4383.806       
232.9101 3908.540       159.5399 144.3671 3.842740 136.3814 2.786347 7.985748 
4.746618 
1 1 1 -4  17  12 o 77.38223 2.290987  1259.381       73.48235 1255.827       
113.2292 1261.967       96.58385 77.27849 3.489963 77.48598 2.968947 
-0.2074966     4.581974 
1 1 1 -4  17  13 o 200.3140 2.296976  8379.854       171.3805 8560.900       
331.9133 8314.041       200.1212 201.7041 3.919502 198.9239 2.396223 2.780258 
4.593951 
1 1 1 -4  17  14 o 189.8208 3.163381  7562.491       239.9926 7678.416       
408.8616 7501.555       296.4325 190.8289 5.103325 188.8127 3.739517 2.016144 
6.326762 
1 1 1 -4  17  15 f 312.6213 4.430462  20653.26       544.7939 20708.41       
955.1766 20626.67       663.2543 312.5285 7.279727 312.7141 5.051887 
-0.1856079     8.860925 
1 1 1 -4  17  16 o 157.5592 2.748963  5211.179       175.5805 5290.719       
289.6823 5164.989       220.7511 158.4434 4.354808 156.6750 3.356017 1.768341 
5.497927 
1 1 1 -4  17  17 o 89.41838 2.033829  1675.779       73.99015 1705.293       
121.0662 1658.183       93.47958 90.02402 3.203211 88.81273 2.507048 1.211296 
4.067659 
1 1 1 -4  17  18 o 260.3705 3.742378  14392.40       391.0580 14123.94       
654.3878 14541.53       487.7256 258.1969 6.036778 262.5442 4.424805 -4.347321 
7.484757 
1 1 1 -4  17  19 o 55.61730 2.517639  662.4351       57.56549 587.6760       
87.84460 718.7017       76.20938 52.79841 3.962920 58.43619 3.106330 -5.637779 
5.035278 
1 1 1 -4  17  20 o 138.6241 2.678408  4013.409       148.7593 4170.728       
253.4769 3930.758       183.7267 140.6001 4.294116 136.6481 3.202505 3.952042 
5.356815 
1 1 1 -4  17  21 o 158.1252 2.172807  5231.931       131.9347 5336.551       
242.8319 5188.114       157.1536 159.1604 3.634058 157.0900 2.382851 2.070389 
4.345614 
1 1 1 -4  17  22 o 74.74108 2.660771  1168.286       82.20659 1226.881       
129.3648 1128.597       106.4671 76.27900 4.039544 73.20316 3.464231 3.075836 
5.321542 
1 1 1 -4  17  23 o 157.6150 3.058611  5223.528       191.9773 5308.211       
329.5633 5180.035       236.1878 158.4422 4.954377 156.7878 3.588114 1.654358 
6.117222 
1 1 1 -4  17  24 o 49.93562 3.312279  529.8903       68.36859 512.8239       
105.4721 542.2579       89.78648 49.20330 5.105809 50.66795 4.220838 -1.464657 
6.624557 
1 1 1 -4  17  25 o 107.3236 2.638729  2446.915       113.8584 2380.019       
189.3541 2484.799       142.4969 106.0738 4.251947 108.5734 3.126101 -2.499657 
5.277458 
1 1 1 -4  17  26 o 84.30494 2.562210  1483.726       88.03539 1576.583       
144.7516 1429.217       110.9042 86.31245 3.994578 82.29743 3.209834 4.015015 
5.124421 
1 1 1 -4  17  27 o 139.8537 2.362258  4053.793       131.0637 4373.873       
229.8671 3899.615       159.5369 143.7266 3.809436 135.9807 2.794504 7.745911 
4.724516 
1 1 1 -4  17  28 o 137.1118 3.175228  4012.484       181.5939 3908.410       
270.6709 4097.674       244.8859 135.3707 4.762532 138.8528 4.200783 -3.482101 
6.350456 
1 1 1 -4  17  29 o 51.74176 3.724618  568.0495       80.12757 691.9942       
120.3298 469.3035       107.4037 56.79823 5.046143 46.68530 5.479741 10.11293 
7.449236 
1 1 1 -4  17  30 o 105.8062 2.389769  2381.435       105.2349 2353.538       
159.1249 2403.120       140.2963 105.1685 3.603907 106.4439 3.139400 -1.275391 
4.779537 
1 1 1 -4  17  31 o 66.63442 2.989447  977.3769       80.67695 845.1864       
126.8770 1067.104       104.5311 62.52764 4.833169 70.74120 3.519608 -8.213566 
5.978893 
1 1 1 -4  17  32 o 39.15654 4.752245  336.9084       73.61815 526.1274       
114.8716 205.0261       95.90110 48.90599 5.594635 29.40710 7.683449 19.49889 
9.504490 
1 1 1 -4  17  33 o 30.24999 5.657545  214.3480       73.06201 282.3628       
113.4958 166.2166       95.47561 34.14528 8.040812 26.35471 7.960942 7.790567 
11.31509 
1 1 1 -4  17  34 o 48.83914 3.881081  521.7443       78.56117 653.5665       
120.1887 423.4072       103.8073 54.22676 5.279235 43.45152 5.690415 10.77524 
7.762161 
1 1 1 -4  17  35 o 67.93123 3.086838  994.6803       85.27863 1092.474       
141.6517 939.0865       106.8021 70.17637 4.807862 65.68609 3.872822 4.490280 
6.173677 
1 1 1 -4  17  36 o 66.24542 2.841041  960.9125       78.62070 996.6416       
118.0098 932.3978       105.4245 67.22634 4.181187 65.26450 3.847562 1.961838 
5.682082 
1 1 1 -4  17  37 o 69.27783 3.255627  1093.584       93.81113 1012.731       
138.6141 1161.916       127.4286 66.48751 4.965791 72.06815 4.211575 -5.580643 
6.511255 
1 1 1 -4  17  38 o 22.17070 5.951701  131.4493       76.19239 124.5533       
116.5572 136.5949       100.6822 21.87743 8.628572 22.46396 8.199923 
-0.5865250     11.90340 
1 1 1 -4  18  1  o 123.7297 2.671181  3225.012       129.6327 3212.530       
228.2696 3230.953       157.4927 123.4970 4.402634 123.9623 3.026160 
-0.4652863     5.342362 
1 1 1 -4  18  2  f 172.1932 3.381468  6278.893       243.1693 5831.069       
354.0465 6678.793       334.5664 166.3116 5.070593 178.0747 4.475085 -11.76303 
6.762936 
1 1 1 -4  18  3  o 43.95142 3.126428  405.2903       57.43540 421.6765       
86.01366 392.1046       77.15789 44.74536 4.578682 43.15747 4.258389 1.587887 
6.252856 
1 1 1 -4  18  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  18  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  18  6  f 67.57323 2.649075  977.7549       72.35370 1030.907       
92.19090 892.5076       116.7527 70.02821 3.135711 65.11825 4.270564 4.909966 
5.298151 
1 1 1 -4  18  7  o 125.4167 2.280210  3269.029       115.3437 3441.383       
194.2254 3175.126       143.3617 127.9166 3.616596 122.9167 2.778069 4.999878 
4.560421 
1 1 1 -4  18  8  o 171.9314 2.679987  6048.359       157.1973 6512.785       
350.2739 5931.229       175.9067 175.8477 4.744518 168.0150 2.493764 7.832672 
5.359973 
1 1 1 -4  18  9  o 124.6775 2.103801  3210.047       103.2987 3431.627       
183.5500 3107.336       124.9674 127.7441 3.422431 121.6110 2.447627 6.133141 
4.207602 
1 1 1 -4  18  10 o 290.5148 3.374503  17905.33       383.2406 17433.66       
675.0179 18129.68       465.5487 287.4782 5.592829 293.5514 3.777479 -6.073181 
6.749006 
1 1 1 -4  18  11 o 88.05814 2.197222  1620.674       78.69903 1668.970       
129.2132 1592.192       99.22694 89.07829 3.455064 87.03798 2.715450 2.040314 
4.394444 
1 1 1 -4  18  12 o 141.0355 1.952758  4078.816       105.5674 4430.866       
197.8184 3938.633       124.8284 145.1505 3.246154 136.9205 2.171530 8.229965 
3.905516 
1 1 1 -4  18  13 o 257.7957 4.333622  14080.73       443.9914 13950.25       
760.4051 14148.22       546.8991 256.5928 7.058650 258.9987 5.029569 -2.405853 
8.667243 
1 1 1 -4  18  14 o 252.3043 3.280546  13138.76       276.1762 13891.14       
630.8928 12960.40       307.1715 256.3512 5.861940 248.2575 2.947132 8.093658 
6.561092 
1 1 1 -4  18  15 o 55.79781 2.520901  656.7003       58.42481 646.1557       
89.00072 664.6851       77.44882 55.39154 3.827112 56.20409 3.282222 
-0.8125496     5.041802 
1 1 1 -4  18  16 o 283.0886 4.907992  17071.84       566.5407 16782.52       
913.0508 17252.97       722.4323 280.7341 7.746774 285.4430 6.028354 -4.708923 
9.815985 
1 1 1 -4  18  17 o 165.2881 2.495414  5751.470       164.8523 5759.894       
279.8928 5746.996       203.9885 165.2996 4.033118 165.2766 2.939784 
0.2296448E-01  4.990829 
1 1 1 -4  18  18 o 29.32868 4.250832  201.8138       50.22048 120.5696       
78.86217 257.2365       65.13529 23.74518 7.247784 34.91218 4.443861 -11.16700 
8.501663 
1 1 1 -4  18  19 o 162.7670 2.283247  5616.426       149.0417 5442.845       
249.0753 5713.246       186.0203 160.7229 3.691253 164.8112 2.688406 -4.088226 
4.566495 
1 1 1 -4  18  20 o 132.2928 2.109165  3691.147       113.6974 3647.056       
183.9451 3718.406       144.6355 131.6132 3.328970 132.9724 2.590803 -1.359268 
4.218329 
1 1 1 -4  18  21 o 303.4172 5.064419  19392.34       596.4231 20134.06       
1080.253 19067.09       715.3342 306.7693 8.387540 300.0651 5.678250 6.704224 
10.12884 
1 1 1 -4  18  22 o 170.4354 3.025166  6128.103       204.6321 6135.843       
352.4362 6124.167       251.3373 170.3701 4.927291 170.5007 3.511170 
-0.1306305     6.050332 
1 1 1 -4  18  23 o 68.14613 2.701350  971.6832       75.88559 1019.755       
120.4891 940.0784       97.69669 69.50468 4.129093 66.78759 3.484217 2.717094 
5.402701 
1 1 1 -4  18  24 o 24.72558 5.226861  109.0807       62.77045 222.1984       
100.2840 36.21548       80.48714 31.55492 7.640373 17.89625 7.134773 13.65867 
10.45372 
1 1 1 -4  18  25 o 150.5554 2.793213  4803.710       171.8923 4746.752       
275.7325 4839.917       219.8388 149.6951 4.387340 151.4157 3.458236 -1.720551 
5.586425 
1 1 1 -4  18  26 o 65.59497 2.588185  904.0292       70.65154 952.9223       
108.4174 867.9406       93.14523 67.10101 3.848498 64.08894 3.461773 3.012070 
5.176370 
1 1 1 -4  18  27 f 68.18539 2.766816  977.5634       77.21735 1021.169       
125.0493 950.6897       98.16913 69.33601 4.295795 67.03476 3.488157 2.301254 
5.533633 
1 1 1 -4  18  28 o 51.35778 3.757142  571.7220       80.07018 492.0884       
116.0917 643.9758       110.5818 47.80926 5.783762 54.90630 4.797141 -7.097034 
7.514283 
1 1 1 -4  18  29 o 32.55700 4.863972  240.4178       65.93986 163.1038       
93.23918 317.7777       93.26690 26.80127 7.811008 38.31272 5.798366 -11.51145 
9.727943 
1 1 1 -4  18  30 o 72.29086 2.989269  1117.066       90.45054 1146.473       
133.9028 1092.387       122.6672 73.11777 4.362020 71.46396 4.088485 1.653816 
5.978539 
1 1 1 -4  18  31 o 53.57396 3.674784  625.1219       82.17826 619.3677       
122.5507 629.8234       110.7747 53.24273 5.482473 53.90520 4.894756 
-0.6624756     7.349568 
1 1 1 -4  18  32 o 75.63205 2.763033  1214.474       86.21440 1314.233       
137.2301 1149.426       110.8134 78.02919 4.189028 73.23492 3.604087 4.794273 
5.526065 
1 1 1 -4  18  33 o 43.00517 4.084077  401.4815       71.68162 461.0309       
118.8283 367.4153       89.87589 45.22134 6.258894 40.78900 5.248331 4.432343 
8.168154 
1 1 1 -4  18  34 o 78.32596 2.823311  1346.163       90.11386 1272.014       
143.5378 1394.400       115.7725 76.17920 4.487981 80.47272 3.426714 -4.293518 
5.646622 
1 1 1 -4  18  35 o 45.18947 3.459472  446.5829       65.03529 525.2990       
100.2566 389.3951       85.45420 48.55151 4.918486 41.82742 4.866239 6.724094 
6.918944 
1 1 1 -4  18  36 o 38.65952 4.397015  358.4436       67.86282 273.9482       
96.42292 441.3786       95.52838 33.20238 7.122762 44.11667 5.157637 -10.91429 
8.794029 
1 1 1 -4  18  37 o 45.08515 4.292876  489.0067       80.24751 476.3926       
121.8137 498.6783       106.6636 44.07355 6.583230 46.09675 5.511462 -2.023197 
8.585752 
1 1 1 -4  19  1  o 198.0892 3.576869  8311.202       291.6085 8142.353       
457.7421 8426.534       378.3116 196.2749 5.554912 199.9036 4.507649 -3.628662 
7.153737 
1 1 1 -4  19  2  o 83.23892 3.194463  1479.467       101.3477 1415.459       
185.8271 1506.568       120.9134 81.86402 5.406760 84.61382 3.403724 -2.749794 
6.388927 
1 1 1 -4  19  3  o 87.72542 2.382743  1628.092       87.22422 1445.641       
124.7810 1802.428       121.9743 82.87950 3.586099 92.57133 3.138432 -9.691833 
4.765487 
1 1 1 -4  19  4  o 210.1658 9.241261  9424.413       815.4027 0.000000       
0.000000 9424.413       815.4027 ?        ?        210.1658 9.241261 ? ? 
1 1 1 -4  19  5  o 155.5626 4.384309  5155.889       274.0342 5257.036       
343.1040 4977.696       455.4026 157.8545 5.177140 153.2706 7.077137 4.583832 
8.768618 
1 1 1 -4  19  6  o 83.61819 3.868708  1471.794       135.8143 1471.794       
135.8143 0.000000       0.000000 83.61819 3.868708 ?        ?        ? ? 
1 1 1 -4  19  7  o 224.1608 4.626350  10487.32       422.1545 11207.64       
697.0363 10070.05       530.5201 229.9675 7.219549 218.3542 5.787105 11.61328 
9.252701 
1 1 1 -4  19  8  o 115.4205 2.409023  2772.630       113.3441 2924.931       
186.0348 2682.722       142.9365 117.8875 3.758787 112.9534 3.014149 4.934029 
4.818047 
1 1 1 -4  19  9  o 95.91357 2.308497  1949.677       91.62213 1840.316       
139.8034 2032.011       121.3035 93.51987 3.560697 98.30728 2.939061 -4.787407 
4.616995 
1 1 1 -4  19  10 o 142.4038 2.377512  4263.908       138.6713 4276.631       
222.1329 4255.784       177.5090 142.5437 3.711811 142.2638 2.971987 0.2799225 
4.755023 
1 1 1 -4  19  11 o 170.8976 2.885881  6085.863       190.7750 6319.911       
348.1116 5985.396       228.0743 173.1131 4.789714 168.6820 3.220539 4.431091 
5.771761 
1 1 1 -4  19  12 o 123.7021 2.572792  3230.005       127.9554 3190.425       
213.7263 3252.118       159.7481 123.0592 4.136803 124.3450 3.060050 -1.285805 
5.145585 
1 1 1 -4  19  13 o 75.31870 2.200742  1174.012       68.46888 1298.737       
108.9515 1092.604       88.02182 78.56067 3.303309 72.07674 2.908817 6.483932 
4.401484 
1 1 1 -4  19  14 o 107.0420 2.211359  2398.009       96.87092 2467.618       
156.4815 2354.757       123.3480 108.2684 3.442566 105.8156 2.776538 2.452774 
4.422717 
1 1 1 -4  19  15 o 61.30879 2.461863  768.4108       62.34066 927.4617       
99.67986 666.2361       79.89348 66.36240 3.577720 56.25517 3.382750 10.10723 
4.923727 
1 1 1 -4  19  16 o 153.1177 2.519911  4915.596       158.6300 5048.241       
252.7808 4829.424       203.7415 154.7644 3.890400 151.4710 3.203840 3.293320 
5.039822 
1 1 1 -4  19  17 f 175.0564 3.093808  6413.255       215.3684 6632.819       
372.3801 6302.899       264.0016 177.1475 5.006941 172.9653 3.635538 4.182175 
6.187616 
1 1 1 -4  19  18 o 74.75184 2.333399  1165.174       71.66289 1230.084       
115.1031 1124.086       91.57701 76.41540 3.587792 73.08828 2.984419 3.327118 
4.666798 
1 1 1 -4  19  19 o 103.5009 2.068440  2257.814       86.74020 2238.923       
142.4647 2268.942       109.3434 103.1247 3.290528 103.8771 2.507228 
-0.7524033     4.136879 
1 1 1 -4  19  20 o 83.02098 2.299443  1446.688       78.91825 1475.572       
123.4015 1426.699       102.6551 83.70020 3.511681 82.34176 2.969487 1.358444 
4.598886 
1 1 1 -4  19  21 o 95.42390 2.469183  1903.939       96.18592 1978.079       
156.7453 1859.158       121.8187 96.86662 3.854264 93.98118 3.087410 2.885445 
4.938365 
1 1 1 -4  19  22 o 130.9975 2.329164  3612.494       123.6805 3623.050       
203.4680 3606.308       155.7605 131.0908 3.696962 130.9042 2.834163 0.1865540 
4.658327 
1 1 1 -4  19  23 o 147.3589 2.368940  4502.274       134.2650 4765.129       
248.5514 4393.966       159.5461 150.2271 3.940841 144.4906 2.630072 5.736465 
4.737880 
1 1 1 -4  19  24 o 52.97189 3.205894  566.2302       69.51659 775.6218       
112.5981 437.2565       88.36935 60.52104 4.431448 45.42274 4.633930 15.09830 
6.411789 
1 1 1 -4  19  25 o 68.48946 2.571371  1000.100       72.95181 931.4803       
110.3618 1053.352       97.22184 66.34061 3.962418 70.63831 3.278269 -4.297699 
5.142743 
1 1 1 -4  19  26 o 103.9213 2.341362  2310.343       100.5779 2085.917       
151.6243 2486.688       134.4046 99.28791 3.637421 108.5548 2.949079 -9.266853 
4.682723 
1 1 1 -4  19  27 o 76.57066 3.100406  1244.941       95.39762 1256.064       
160.2249 1238.833       118.7378 76.68764 4.976518 76.45369 3.699234 0.2339478 
6.200812 
1 1 1 -4  19  28 o 40.57864 4.318933  366.5172       69.20573 255.2862       
96.39028 484.8589       99.42357 33.59103 7.058738 47.56625 4.978649 -13.97522 
8.637866 
1 1 1 -4  19  29 o 29.44186 5.758988  200.9862       73.63382 187.8277       
107.6474 212.5568       100.9435 28.56809 8.414381 30.31564 7.865237 -1.747557 
11.51798 
1 1 1 -4  19  30 o 32.73097 5.515894  248.5562       74.75841 284.7228       
110.0667 217.5827       101.8585 34.97640 7.703279 30.48555 7.896826 4.490850 
11.03179 
1 1 1 -4  19  31 o 42.95467 4.395371  411.6076       78.35731 388.5351       
117.8397 429.8951       104.9115 41.66970 6.735850 44.23963 5.648494 -2.569931 
8.790743 
1 1 1 -4  19  32 o 46.76419 3.956591  479.7441       77.27267 521.2926       
116.8086 447.4122       103.0417 48.48900 5.737896 45.03938 5.449312 3.449627 
7.913182 
1 1 1 -4  19  33 o 15.24508 4.932720  -55.43530      71.03584 -15.32452      
107.9573 -86.06201      94.33478 16.95014 7.531762 13.54003 6.371772 3.410110 
9.865440 
1 1 1 -4  19  34 o 49.08642 3.434909  528.4794       70.41911 580.2897       
106.4368 488.1463       93.91061 51.15564 4.955862 47.01720 4.757503 4.138443 
6.869818 
1 1 1 -4  19  35 o 27.96450 5.424700  194.3727       69.96845 110.2060       
97.72982 282.8792       100.2177 21.99528 8.073915 33.93372 7.247163 -11.93844 
10.84940 
1 1 1 -4  19  36 o 33.46620 5.539899  283.9943       76.68887 360.5367       
115.9336 224.4446       102.2580 37.71505 7.588439 29.21735 8.073260 8.497704 
11.07980 
1 1 1 -4  19  37 o 30.80492 5.786080  256.2534       77.89515 353.2057       
117.9625 181.2904       103.7263 36.17997 7.980282 25.42986 8.380333 10.75012 
11.57216 
1 1 1 -4  20  1  o 73.60806 2.977302  1124.773       87.30030 1199.015       
151.4453 1087.826       106.8372 75.34821 4.787446 71.86792 3.540857 3.480293 
5.954605 
1 1 1 -4  20  2  o 76.58876 3.431267  1211.186       92.35788 1289.639       
196.8310 1189.036       104.5862 78.02146 6.008976 75.15605 3.314603 2.865410 
6.862535 
1 1 1 -4  20  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  20  4  o 199.8763 5.303311  8600.226       436.6276 9115.337       
575.7089 7902.749       669.9114 207.3006 6.614902 192.4521 8.291170 14.84856 
10.60662 
1 1 1 -4  20  5  o 103.7630 2.828035  2264.654       122.8198 2221.019       
166.5719 2316.640       181.8141 102.6825 3.863906 104.8436 4.130539 -2.161110 
5.656070 
1 1 1 -4  20  6  o 69.89866 2.705291  1022.342       78.80379 1082.280       
120.2349 977.2052       104.3387 71.67233 3.995768 68.12499 3.648044 3.547333 
5.410582 
1 1 1 -4  20  7  o 134.5422 3.990233  3813.603       225.3906 0.000000       
0.000000 3813.603       225.3906 ?        ?        134.5422 3.990233 ? ? 
1 1 1 -4  20  8  o 110.4281 2.532995  2520.620       112.7483 2731.423       
191.2689 2408.363       139.5769 113.8622 4.001162 106.9940 3.107244 6.868164 
5.065990 
1 1 1 -4  20  9  o 285.6199 4.827931  17286.45       569.4336 17184.66       
740.4178 17433.81       890.9040 284.8622 6.191034 286.3776 7.409910 -1.515411 
9.655862 
1 1 1 -4  20  10 o 224.8198 2.944023  10465.25       245.6924 11057.50       
482.0906 10257.45       285.5600 228.8338 5.017987 220.8058 3.080405 8.027985 
5.888046 
1 1 1 -4  20  11 o 40.15804 3.135205  336.4299       52.49138 371.4696       
80.22062 310.1944       69.41446 41.96142 4.553622 38.35466 4.310750 3.606758 
6.270410 
1 1 1 -4  20  12 o 103.2329 2.267706  2207.189       94.01948 2363.530       
160.4340 2125.412       116.0322 105.9378 3.607168 100.5280 2.749238 5.409767 
4.535413 
1 1 1 -4  20  13 o 104.3231 2.191018  2295.003       93.74561 2267.902       
149.0365 2312.745       120.5892 103.7841 3.420444 104.8620 2.739123 -1.077843 
4.382035 
1 1 1 -4  20  14 o 96.32177 2.286466  1960.731       90.84452 1910.584       
141.4283 1995.954       118.5305 95.24275 3.536921 97.40079 2.898603 -2.158035 
4.572933 
1 1 1 -4  20  15 o 14.91389 4.532753  -11.61300      50.98925 19.87288       
79.19305 -33.90831      66.64014 16.90826 6.948680 12.91952 5.822307 3.988738 
9.065507 
1 1 1 -4  20  16 o 193.1230 2.249024  7791.974       163.8188 7985.478       
311.1212 7717.746       192.6943 194.6536 3.807047 191.5925 2.395585 3.061111 
4.498048 
1 1 1 -4  20  17 o 99.86178 2.328157  2050.562       95.35278 2323.183       
155.7907 1887.258       120.5755 105.0232 3.533275 94.70036 3.032694 10.32283 
4.656314 
1 1 1 -4  20  18 o 249.4054 3.937667  13226.51       394.2349 12958.40       
658.9713 13375.96       491.9920 247.1168 6.351630 251.6939 4.655930 -4.577103 
7.875334 
1 1 1 -4  20  19 o 238.4458 2.943037  12066.80       268.8455 11807.14       
491.5107 12177.64       321.1449 236.3693 4.952940 240.5223 3.180290 -4.153000 
5.886073 
1 1 1 -4  20  20 o 155.4679 2.970781  5032.762       184.3219 5313.385       
317.8317 4890.554       226.2555 158.5757 4.773992 152.3601 3.537113 6.215546 
5.941562 
1 1 1 -4  20  21 o 254.6705 3.907787  13716.58       381.4514 13820.34       
701.5102 13673.03       454.5186 254.8547 6.556354 254.4863 4.254107 0.3684692 
7.815574 
1 1 1 -4  20  22 o 93.89297 2.336405  1881.390       90.39886 1719.441       
138.3735 2001.973       119.4011 90.28197 3.650672 97.50396 2.916803 -7.221985 
4.672810 
1 1 1 -4  20  23 o 35.71696 3.962831  268.7722       58.59277 286.9937       
91.99944 256.3374       75.99962 36.69292 5.972056 34.74100 5.210629 1.951920 
7.925661 
1 1 1 -4  20  24 o 26.42519 5.433484  150.0346       62.84769 178.7506       
100.2875 131.4641       80.64835 28.33217 8.051030 24.51820 7.298759 3.813967 
10.86697 
1 1 1 -4  20  25 o 152.4834 3.062045  4907.012       188.1404 5028.831       
315.3309 4839.676       234.4411 153.7218 4.885983 151.2449 3.692105 2.476913 
6.124089 
1 1 1 -4  20  26 o 46.38127 3.500098  459.8099       64.42764 456.1792       
110.5784 461.6758       79.27324 46.11922 5.710964 46.64332 4.048165 
-0.5241013     7.000196 
1 1 1 -4  20  27 o 70.38730 2.891180  993.7350       81.97434 1271.436       
142.5584 856.5536       100.1963 77.24531 4.395838 63.52929 3.756634 13.71602 
5.782360 
1 1 1 -4  20  28 o 104.8990 3.004519  2349.800       131.2082 2341.664       
198.5629 2356.106       174.8111 104.6229 4.520560 105.1752 3.958922 
-0.5522232     6.009037 
1 1 1 -4  20  29 o 61.36758 3.367033  818.8848       85.72405 738.2510       
127.1343 886.1086       116.0823 58.42838 5.182748 64.30679 4.299623 -5.878410 
6.734065 
1 1 1 -4  20  30 f 56.63123 3.466334  698.0880       81.67405 665.0624       
122.1628 724.7811       109.8283 55.28030 5.263683 57.98215 4.511710 -2.701847 
6.932668 
1 1 1 -4  20  31 o 48.29435 3.474920  510.9095       69.69842 485.6240       
104.9007 530.8945       93.25991 47.07203 5.308066 49.51666 4.486056 -2.444626 
6.949839 
1 1 1 -4  20  32 o 19.38418 5.382183  59.98483       64.32513 82.76198       
94.10342 40.00794       88.12914 20.75954 7.860946 18.00881 7.353713 2.750734 
10.76437 
1 1 1 -4  20  33 o 31.92128 5.535861  243.2739       73.97867 318.0477       
113.0589 187.2883       97.82917 36.22266 7.669276 27.61990 7.985316 8.602758 
11.07172 
1 1 1 -4  20  34 o 23.21908 5.763094  106.9607       74.19017 207.7565       
113.2811 31.25570       98.17445 28.49760 8.684258 17.94057 7.578698 10.55703 
11.52619 
1 1 1 -4  20  35 o 22.62251 5.886710  109.7903       74.72589 175.1290       
115.0038 62.04725       98.30650 26.02883 8.824151 19.21620 7.794086 6.812628 
11.77342 
1 1 1 -4  20  36 o 35.59256 5.362025  341.6673       79.68333 212.1667       
119.3169 445.9207       107.0560 27.59416 8.988099 43.59097 5.849729 -15.99681 
10.72405 
1 1 1 -4  20  37 f 25.74553 6.135674  184.9635       78.99204 245.9217       
120.5456 139.0895       104.5726 28.82929 8.993752 22.66176 8.348559 6.167534 
12.27135 
1 1 1 -4  21  1  o 165.8285 4.316122  5801.792       300.4912 0.000000       
0.000000 5801.792       300.4912 ?        ?        165.8285 4.316122 ? ? 
1 1 1 -4  21  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  21  3  o 176.1491 5.087624  6403.533       337.0908 7067.463       
653.2439 6162.577       393.5342 181.6652 8.564945 170.6329 5.493394 11.03233 
10.17525 
1 1 1 -4  21  4  o 70.50164 2.623442  1050.172       77.33295 941.2502       
109.3920 1158.988       109.3386 66.82346 3.899221 74.17982 3.510821 -7.356369 
5.246883 
1 1 1 -4  21  5  o 181.7579 3.366036  6964.943       256.4110 7176.805       
375.9093 6780.600       350.6473 184.3153 4.857835 179.2005 4.660712 5.114792 
6.732072 
1 1 1 -4  21  6  o 162.2362 4.104735  5531.372       272.4328 5766.996       
441.6281 5386.624       346.1420 164.8523 6.380912 159.6201 5.165207 5.232178 
8.209471 
1 1 1 -4  21  7  o 103.2473 2.692141  2194.348       111.0369 2413.251       
192.7421 2085.610       135.8439 106.9581 4.292237 99.53636 3.250720 7.421783 
5.384281 
1 1 1 -4  21  8  o 35.42175 4.152623  260.7199       58.79710 369.7991       
92.13657 185.7808       76.36871 41.81892 5.247837 29.02458 6.437183 12.79434 
8.305246 
1 1 1 -4  21  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  21  10 o 53.03173 3.239823  593.5898       70.87464 594.2865       
111.0927 593.1116       92.03840 53.03026 4.989798 53.03319 4.133732 
-0.2929688E-02 6.479647 
1 1 1 -4  21  11 o 89.90940 2.106271  1677.857       77.83016 1811.108       
125.4142 1594.396       99.25553 92.75477 3.220561 87.06403 2.715420 5.690735 
4.212543 
1 1 1 -4  21  12 f 50.55314 2.742010  534.4864       57.80077 573.4124       
88.08213 505.0471       76.60049 52.14915 4.023107 48.95712 3.726806 3.192036 
5.484020 
1 1 1 -4  21  13 o 112.6638 2.282486  2598.804       104.1091 2943.873       
176.2077 2413.746       129.0405 118.2178 3.550285 107.1099 2.869574 11.10788 
4.564973 
1 1 1 -4  21  14 o 208.6548 2.761007  9201.566       233.4202 9083.482       
382.8490 9271.433       294.4852 207.4707 4.395332 209.8389 3.342709 -2.368179 
5.522015 
1 1 1 -4  21  15 o 94.40474 2.245666  1900.805       86.99084 1746.650       
135.1838 2009.755       113.6473 91.06384 3.535899 97.74564 2.769381 -6.681801 
4.491331 
1 1 1 -4  21  16 o 111.3106 2.460460  2565.038       108.3095 2740.385       
190.8149 2481.689       131.5564 114.0129 3.986388 108.6083 2.885162 5.404579 
4.920919 
1 1 1 -4  21  17 o 85.30324 2.251982  1543.293       78.89660 1473.210       
123.7350 1591.307       102.4171 83.63264 3.524015 86.97383 2.804819 -3.341187 
4.503963 
1 1 1 -4  21  18 o 54.63313 3.049242  649.4380       67.74650 517.9181       
102.2217 752.4508       90.46755 49.50412 4.918387 59.76214 3.605685 -10.25803 
6.098483 
1 1 1 -4  21  19 o 170.7172 2.659267  6132.606       172.6228 6169.422       
321.9255 6117.749       204.5104 170.9256 4.486105 170.5089 2.856864 0.4167175 
5.318534 
1 1 1 -4  21  20 o 112.5480 2.647123  2648.397       121.5152 2766.098       
198.7001 2578.079       153.5824 114.4721 4.134468 110.6239 3.306842 3.848183 
5.294245 
1 1 1 -4  21  21 o 132.1995 2.381453  3694.917       126.9492 3645.766       
210.5480 3722.992       159.1277 131.4271 3.815815 132.9718 2.850410 -1.544708 
4.762907 
1 1 1 -4  21  22 o 92.40958 2.451287  1773.544       91.90420 1910.397       
153.2939 1696.754       114.8296 95.09435 3.839647 89.72479 3.048333 5.369560 
4.902574 
1 1 1 -4  21  23 o 84.55969 2.456165  1485.970       85.14460 1618.926       
138.4351 1405.072       107.9847 87.50861 3.768049 81.61078 3.151634 5.897835 
4.912331 
1 1 1 -4  21  24 o 47.32726 3.581040  486.7392       68.72567 434.9359       
109.1059 520.8127       88.48677 45.09725 5.762610 49.55728 4.252966 -4.460033 
7.162081 
1 1 1 -4  21  25 o 122.4615 2.756940  3179.400       138.1543 3176.559       
221.5433 3181.208       176.7258 122.2833 4.315316 122.6398 3.432334 
-0.3565216     5.513880 
1 1 1 -4  21  26 o 56.21454 3.571192  657.9979       80.67164 737.5724       
138.6028 617.2304       99.20712 58.58831 5.634845 53.84077 4.388869 4.747543 
7.142384 
1 1 1 -4  21  27 o 32.33324 5.651361  218.5220       73.55036 325.8794       
128.8858 166.6766       89.56620 37.58460 8.383661 27.08188 7.580615 10.50272 
11.30272 
1 1 1 -4  21  28 o 79.32651 2.592146  1339.358       86.24718 1262.714       
120.9853 1418.555       122.9831 76.99596 3.742707 81.65705 3.587342 -4.661095 
5.184291 
1 1 1 -4  21  29 o 123.4755 2.880210  3265.870       149.1702 3269.529       
215.6568 3262.515       206.5546 123.4886 4.159655 123.4624 3.984935 
0.2626038E-01  5.760420 
1 1 1 -4  21  30 o 31.96584 5.631610  242.6381       75.14201 241.3528       
111.6638 243.7017       101.5837 31.77431 8.285741 32.15736 7.629328 
-0.3830509     11.26322 
1 1 1 -4  21  31 o 20.62303 5.573551  52.26755       72.94791 147.9105       
108.3268 -27.09167      98.67522 25.31707 8.564160 15.92899 7.135336 9.388086 
11.14710 
1 1 1 -4  21  32 o 77.60184 2.854666  1304.984       91.87064 1298.233       
141.0041 1309.964       121.1040 77.23675 4.348393 77.96693 3.699723 
-0.7301788     5.709332 
1 1 1 -4  21  33 o 84.95464 2.938947  1555.242       103.6732 1693.300       
161.3031 1458.070       135.3262 87.96594 4.367664 81.94333 3.933594 6.022614 
5.877895 
1 1 1 -4  21  34 o 21.13980 5.797779  90.93375       73.57561 75.51746       
112.8250 102.3406       97.05076 20.71123 8.370629 21.56838 8.024309 
-0.8571472     11.59556 
1 1 1 -4  21  35 o 81.88019 3.338315  1511.620       113.3305 1414.987       
170.4430 1588.199       151.7310 79.04916 5.135739 84.71122 4.266331 -5.662064 
6.676631 
1 1 1 -4  21  36 o 19.27691 5.479773  33.34428       75.06266 166.6699       
114.9577 -65.74866      99.10659 24.60456 8.783442 13.94925 6.554601 10.65532 
10.95955 
1 1 1 -4  21  37 o 20.30433 6.645869  24.45815       118.5054 78.45064       
235.3134 6.111536       137.1696 22.57450 10.45323 18.03415 8.209763 4.540356 
13.29174 
1 1 1 -4  22  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  22  2  o 161.3033 4.263836  5345.827       245.7962 5843.399       
514.2421 5198.488       279.8316 165.6219 7.395560 156.9847 4.245810 8.637177 
8.527673 
1 1 1 -4  22  3  o 72.50637 3.149151  1072.858       91.32956 1228.536       
159.2862 996.6130       111.4729 76.24758 4.975919 68.76516 3.861197 7.482422 
6.298302 
1 1 1 -4  22  4  o 108.6893 3.051461  2493.243       139.1385 2464.754       
200.0246 2519.951       193.6723 108.0756 4.408355 109.3029 4.220433 -1.227234 
6.102921 
1 1 1 -4  22  5  o 195.8670 4.024699  8148.549       328.6589 7895.578       
490.2997 8354.966       442.8948 192.9872 6.051378 198.7469 5.307884 -5.759689 
8.049397 
1 1 1 -4  22  6  o 75.29384 2.661497  1193.804       83.69855 1202.705       
125.0835 1186.586       112.6290 75.53366 3.944398 75.05401 3.574352 0.4796524 
5.322994 
1 1 1 -4  22  7  o 92.42506 2.578497  1808.434       98.64622 1744.656       
151.3529 1855.534       130.0676 90.97133 3.962846 93.87880 3.300066 -2.907471 
5.156994 
1 1 1 -4  22  8  o 80.35754 2.674968  1346.508       87.96804 1423.487       
142.9208 1299.558       111.6154 82.15591 4.143599 78.55917 3.384140 3.596741 
5.349936 
1 1 1 -4  22  9  o 165.9410 3.176776  5595.976       198.4462 6302.709       
386.1956 5342.420       231.3214 172.6104 5.329193 159.2716 3.459383 13.33879 
6.353552 
1 1 1 -4  22  10 o 138.3151 3.116558  4012.919       172.4153 4116.592       
293.9372 3958.537       212.8855 139.5616 5.016602 137.0685 3.699384 2.493118 
6.233116 
1 1 1 -4  22  11 f 131.1589 6.373988  3650.833       350.9846 3650.833       
350.9846 0.000000       0.000000 131.1589 6.373988 ?        ?        ? ? 
1 1 1 -4  22  12 o 208.6172 3.899576  9087.501       328.6192 9658.390       
552.2877 8774.604       408.8753 213.4098 6.164134 203.8246 4.778100 9.585190 
7.799153 
1 1 1 -4  22  13 o 100.7500 2.092318  2115.906       87.44606 2260.346       
136.2868 2014.828       114.0087 103.6310 3.132456 97.86891 2.774689 5.762131 
4.184636 
1 1 1 -4  22  14 o 140.5836 2.789152  4128.056       158.9238 4310.800       
264.0190 4024.218       199.0178 142.9293 4.399822 138.2379 3.429145 4.691360 
5.578303 
1 1 1 -4  22  15 o 150.1196 2.799057  4743.633       165.5161 4772.065       
289.7326 4729.858       201.6618 150.3427 4.590247 149.8964 3.204450 0.4462585 
5.598113 
1 1 1 -4  22  16 o 175.6443 2.875292  6496.038       206.7126 6551.362       
332.1364 6461.060       264.0949 176.1649 4.490742 175.1237 3.591999 1.041245 
5.750585 
1 1 1 -4  22  17 o 52.20165 2.866469  568.5674       60.93000 599.8299       
100.2762 550.2695       76.71615 53.29929 4.481232 51.10402 3.575632 2.195274 
5.732939 
1 1 1 -4  22  18 o 200.6580 3.040303  8527.933       252.9854 8319.530       
386.7875 8683.748       334.4442 198.4131 4.643261 202.9029 3.926055 -4.489761 
6.080607 
1 1 1 -4  22  19 o 52.45689 3.054613  575.2720       66.72095 627.8600       
102.5772 536.7070       87.84246 54.50002 4.483068 50.41376 4.150270 4.086258 
6.109226 
1 1 1 -4  22  20 o 69.09783 2.744028  1006.672       78.04703 1015.791       
123.3882 1000.590       100.7664 69.31901 4.239772 68.87666 3.484695 0.4423523 
5.488057 
1 1 1 -4  22  21 o 149.9514 2.534988  4750.871       152.3461 4734.560       
256.7529 4759.734       189.2641 149.6243 4.087278 150.2784 2.999804 
-0.6540375     5.069977 
1 1 1 -4  22  22 o 92.70396 2.388405  1830.135       91.29453 1724.450       
140.8710 1906.665       119.8753 90.32065 3.714973 95.08729 3.002813 -4.766640 
4.776809 
1 1 1 -4  22  23 o 53.46767 3.196646  624.5701       69.16212 528.5259       
108.3154 690.6844       89.86750 49.80088 5.180533 57.13446 3.746499 -7.333584 
6.393292 
1 1 1 -4  22  24 o 151.6605 2.512117  4854.689       155.7433 4921.361       
251.3681 4813.148       198.4165 152.3686 3.929487 150.9525 3.130824 1.416092 
5.024234 
1 1 1 -4  22  25 o 94.20679 2.547929  1861.651       94.94514 1937.289       
166.1082 1824.948       115.7103 95.47116 4.144193 92.94241 2.965371 2.528755 
5.095857 
1 1 1 -4  22  26 o 69.66849 3.110914  1037.117       86.82066 1030.363       
146.2014 1040.797       107.9079 69.32208 5.023438 70.01489 3.670996 
-0.6928101     6.221827 
1 1 1 -4  22  27 o 39.40795 4.903609  315.3467       75.92937 462.9769       
134.8025 246.7430       91.89333 45.85584 7.002037 32.96007 6.866806 12.89577 
9.807219 
1 1 1 -4  22  28 o 64.92603 3.334060  919.7304       89.59029 806.3371       
132.5496 1015.103       121.5619 61.02491 5.173594 68.82713 4.206868 -7.802223 
6.668119 
1 1 1 -4  22  29 o 100.7942 2.903656  2196.286       122.0060 1981.969       
176.9311 2390.583       168.4651 95.90986 4.394020 105.6785 3.797035 -9.768608 
5.807313 
1 1 1 -4  22  30 o 30.40351 5.311850  222.7498       75.37449 94.29327       
111.7049 330.1262       102.1288 22.35185 8.535069 38.45518 6.325788 -16.10334 
10.62370 
1 1 1 -4  22  31 o 67.29256 3.185557  979.1191       89.40129 1041.519       
135.9284 931.5475       118.6839 69.07035 4.687481 65.51477 4.314929 3.555580 
6.371114 
1 1 1 -4  22  32 o 62.05676 3.113037  841.3848       81.02034 831.9140       
116.8578 850.1517       112.4305 61.65846 4.514256 62.45506 4.287830 
-0.7966042     6.226074 
1 1 1 -4  22  33 o 21.13735 5.275871  78.46871       63.67125 174.2194       
96.69179 5.162616       84.60358 26.47177 8.014532 15.80293 6.863419 10.66884 
10.55174 
1 1 1 -4  22  34 o 30.06569 5.116641  214.0639       63.92932 299.7857       
100.7840 156.3514       82.69531 35.03130 7.100276 25.10008 7.369269 9.931213 
10.23328 
1 1 1 -4  22  35 o 51.45958 3.504499  591.5058       75.10746 702.7721       
113.7797 505.5790       99.98782 55.75910 4.860376 47.16005 5.050029 8.599049 
7.008998 
1 1 1 -4  22  36 o 27.01220 5.836627  207.1405       72.83935 181.2914       
117.5242 223.2630       92.81566 25.14292 8.890422 28.88149 7.564738 -3.738573 
11.67325 
1 1 1 -4  23  1  o 133.3992 4.435099  3808.172       243.0396 3647.672       
381.0159 3918.274       315.5775 130.8302 6.936751 135.9681 5.528282 -5.137848 
8.870198 
1 1 1 -4  23  2  o 71.72559 3.175414  1117.395       92.03227 954.6544       
145.2787 1226.481       118.9428 67.17097 5.151591 76.28020 3.714045 -9.109238 
6.350829 
1 1 1 -4  23  3  o 131.1614 4.185391  3679.172       211.9800 3566.249       
380.9995 3729.801       255.1121 129.4266 7.011679 132.8963 4.572348 -3.469666 
8.370783 
1 1 1 -4  23  4  o 110.4236 3.191574  2459.822       133.6461 2842.336       
258.3144 2320.004       156.1730 115.9041 5.308488 104.9431 3.544649 10.96101 
6.383148 
1 1 1 -4  23  5  o 134.6604 2.882129  3784.944       156.4182 3962.303       
263.4657 3688.401       194.3832 136.9906 4.580940 132.3303 3.498810 4.660217 
5.764259 
1 1 1 -4  23  6  o 171.1797 4.256607  6208.317       299.8488 6232.313       
473.7178 6192.275       387.3130 171.2890 6.587357 171.0703 5.392729 0.2187805 
8.513213 
1 1 1 -4  23  7  o 34.58073 4.231618  247.2376       58.75345 348.2949       
93.12135 180.4039       75.72918 40.56797 5.467479 28.59350 6.460111 11.97447 
8.463236 
1 1 1 -4  23  8  o 61.18427 2.885106  773.2418       73.06001 885.0261       
115.7742 699.2665       94.18136 64.77141 4.257451 57.59713 3.894800 7.174274 
5.770213 
1 1 1 -4  23  9  o 43.72597 3.613735  399.6700       65.81769 477.8680       
98.54101 336.6859       88.43713 47.55458 4.935666 39.89737 5.279727 7.657211 
7.227469 
1 1 1 -4  23  10 o 16.81929 5.108034  -7.304699      64.43339 10.77638       
97.73977 -21.20230      85.68980 18.09263 7.598439 15.54595 6.828744 2.546685 
10.21607 
1 1 1 -4  23  11 o 153.2405 3.641717  4986.692       225.4011 4885.479       
371.6086 5045.603       283.5086 151.8494 5.828996 154.6316 4.367060 -2.782166 
7.283433 
1 1 1 -4  23  12 o 65.13349 4.176332  894.8549       114.2032 0.000000       
0.000000 894.8549       114.2032 ?        ?        65.13349 4.176332 ? ? 
1 1 1 -4  23  13 o 140.1618 5.192156  4155.208       305.5318 4155.208       
305.5318 0.000000       0.000000 140.1618 5.192156 ?        ?        ? ? 
1 1 1 -4  23  14 o 109.8683 2.805894  2500.323       124.5419 2708.574       
210.1338 2387.560       154.6262 113.2726 4.418677 106.4641 3.459400 6.808434 
5.611787 
1 1 1 -4  23  15 o 105.9662 2.112007  2341.037       91.75170 2465.109       
148.2147 2263.948       116.8283 108.1936 3.262953 103.7387 2.682430 4.454895 
4.224014 
1 1 1 -4  23  16 o 157.4593 2.426172  5107.137       145.7300 5503.783       
274.7764 4951.905       171.8973 161.5022 4.052491 153.4164 2.668814 8.085785 
4.852345 
1 1 1 -4  23  17 o 102.0873 2.354074  2210.969       100.0704 2052.462       
147.9870 2344.512       135.8346 98.66373 3.572621 105.5109 3.066437 -6.847191 
4.708148 
1 1 1 -4  23  18 o 97.59593 2.276428  2014.604       91.23241 1971.752       
144.1416 2043.245       117.8402 96.68536 3.550993 98.50650 2.849376 -1.821136 
4.552855 
1 1 1 -4  23  19 o 25.08684 5.271597  139.4956       60.55566 101.5389       
95.00835 165.4652       78.58693 22.89684 8.003600 27.27684 6.863042 -4.380005 
10.54319 
1 1 1 -4  23  20 f 118.0858 2.271368  2941.957       111.6621 2937.279       
169.1306 2945.571       148.6688 117.9652 3.414989 118.2064 2.995713 
-0.2411270     4.542736 
1 1 1 -4  23  21 o 79.35065 2.499353  1351.264       80.96960 1232.289       
127.2671 1432.171       104.9496 76.30196 3.972845 82.39935 3.033737 -6.097397 
4.998705 
1 1 1 -4  23  22 o 21.36339 5.079547  85.10204       60.93185 -11.48443      
96.25800 149.6800       78.70834 16.82516 7.314350 25.90162 7.050354 -9.076456 
10.15909 
1 1 1 -4  23  23 o 150.1606 3.018934  4812.975       185.8895 4672.405       
294.0639 4906.533       239.9025 148.1274 4.728543 152.1937 3.754561 -4.066315 
6.037868 
1 1 1 -4  23  24 o 44.54015 3.660754  403.5631       66.54277 567.9478       
107.6374 301.8730       84.65879 51.55193 4.973240 37.52836 5.373207 14.02357 
7.321507 
1 1 1 -4  23  25 o 67.19909 3.060387  974.7919       81.02065 926.9360       
139.4992 999.1522       99.52800 65.75000 5.053555 68.64818 3.453324 -2.898178 
6.120774 
1 1 1 -4  23  26 o 68.06836 2.944788  1011.441       79.69735 914.5036       
132.7325 1066.092       99.66242 65.25965 4.844552 70.87708 3.349243 -5.617424 
5.889577 
1 1 1 -4  23  27 o 49.68052 3.718311  537.2828       74.25764 523.8057       
123.2938 544.9545       93.02162 48.96082 5.998101 50.40022 4.396151 -1.439396 
7.436623 
1 1 1 -4  23  28 o 39.80795 4.895057  364.9630       77.70245 325.3050       
120.7306 393.0066       101.5240 37.24204 7.954804 42.37387 5.706788 -5.131828 
9.790114 
1 1 1 -4  23  29 f 91.96007 3.015473  1827.134       116.1275 1684.127       
164.4344 1969.428       164.0246 88.26208 4.437511 95.65804 4.084215 -7.395958 
6.030947 
1 1 1 -4  23  30 o 24.13659 5.621356  104.5875       74.91999 237.3720       
112.9404 0.2378874      100.1200 31.18981 8.425776 17.08338 7.443448 14.10642 
11.24271 
1 1 1 -4  23  31 o 52.33053 3.936418  617.6528       85.17546 524.3394       
124.0121 700.9818       117.1898 48.22234 6.125432 56.43872 4.945768 -8.216385 
7.872836 
1 1 1 -4  23  32 o 19.64049 5.658650  51.60765       76.05313 -2.746139      
112.9699 96.66080       102.8515 17.63984 7.788148 21.64115 8.211337 -4.001310 
11.31730 
1 1 1 -4  23  33 o 20.65595 5.805850  79.75883       75.34266 67.18166       
114.6479 89.31940       99.95761 20.41378 8.370188 20.89812 8.048075 
-0.4843369     11.61170 
1 1 1 -4  23  34 o 82.08415 3.104698  1487.270       105.4172 1537.002       
164.6314 1452.708       137.2431 82.88762 4.730904 81.28069 4.021834 1.606926 
6.209396 
1 1 1 -4  23  35 o 23.23956 5.879857  141.3271       73.90611 109.9776       
108.9398 168.0584       100.5961 21.51020 8.377364 24.96893 8.252917 -3.458735 
11.75971 
1 1 1 -4  23  36 o 24.72245 6.941318  151.0172       96.82466 294.2912       
189.6264 100.4892       112.6112 28.78183 11.08478 20.66307 8.357939 8.118761 
13.88264 
1 1 1 -4  24  1  o 70.04342 3.273770  1044.085       95.65610 986.2287       
141.0733 1093.323       130.1431 68.19736 4.927180 71.88947 4.311981 -3.692108 
6.547541 
1 1 1 -4  24  2  o 77.67917 3.104209  1287.443       98.52891 1224.372       
156.5215 1328.839       126.8056 76.01790 4.904326 79.34044 3.806842 -3.322540 
6.208418 
1 1 1 -4  24  3  o 101.1963 3.533958  2153.546       136.1235 2206.456       
254.3869 2132.318       161.1337 101.8717 5.947879 100.5208 3.818136 1.350899 
7.067915 
1 1 1 -4  24  4  o 159.7417 4.963199  5388.736       283.2323 5558.490       
583.9589 5336.518       323.8782 160.6799 8.656488 158.8034 4.857838 1.876511 
9.926398 
1 1 1 -4  24  5  o 90.11163 2.775066  1714.435       103.9369 1703.708       
158.3113 1722.561       137.7934 89.83123 4.197644 90.39203 3.630942 
-0.5607986     5.550131 
1 1 1 -4  24  6  o 53.70028 3.014344  608.6976       67.62025 609.9412       
100.8240 607.6808       91.16309 53.73497 4.469182 53.66559 4.046171 
0.6938171E-01  6.028688 
1 1 1 -4  24  7  o 128.9598 2.949688  3509.717       155.8575 3510.557       
249.1922 3509.177       199.7498 128.8970 4.604821 129.0226 3.687582 
-0.1256561     5.899376 
1 1 1 -4  24  8  o 133.4678 3.445231  3656.538       181.0303 4081.815       
324.6755 3464.677       218.0752 138.7862 5.572169 128.1494 4.053319 10.63680 
6.890461 
1 1 1 -4  24  9  o 147.5315 3.175975  4572.998       184.4028 4666.548       
324.4175 4528.345       224.1314 148.4856 5.204045 146.5774 3.642141 1.908173 
6.351951 
1 1 1 -4  24  10 f 54.19663 3.447777  625.2491       77.44244 592.4470       
117.6039 650.3629       102.9028 52.89790 5.295469 55.49535 4.416635 -2.597450 
6.895553 
1 1 1 -4  24  11 o 122.0991 3.083081  3154.651       157.2033 3078.558       
233.1059 3218.125       212.9031 120.7053 4.599898 123.4930 4.106397 -2.787697 
6.166162 
1 1 1 -4  24  12 o 130.4440 2.898078  3598.794       157.3928 3527.450       
237.1405 3654.967       210.4213 129.2384 4.370539 131.6495 3.807076 -2.411087 
5.796157 
1 1 1 -4  24  13 o 91.80996 2.678836  1789.149       102.4717 1662.571       
151.1577 1896.787       139.3903 88.75431 4.056596 94.86561 3.499812 -6.111298 
5.357673 
1 1 1 -4  24  14 o 60.22598 4.334817  766.3746       109.6058 0.000000       
0.000000 766.3746       109.6058 ?        ?        60.22598 4.334817 ? ? 
1 1 1 -4  24  15 o 36.62222 4.914347  284.8239       73.44164 372.4867       
112.6458 220.0126       96.85737 41.80720 6.417783 31.43724 7.444144 10.36996 
9.828694 
1 1 1 -4  24  16 o 46.00698 3.765799  451.0109       72.19197 464.9708       
97.26429 433.8867       107.7249 46.83779 4.946273 45.17618 5.679732 1.661606 
7.531598 
1 1 1 -4  24  17 o 27.84906 5.103458  171.1722       59.57068 182.2901       
92.32098 163.2409       77.97553 28.60556 7.568657 27.09255 6.848108 1.513010 
10.20692 
1 1 1 -4  24  18 o 117.7091 2.339318  2938.612       114.9185 2743.593       
168.3517 3108.767       157.2538 113.9940 3.517681 121.4242 3.084729 -7.430145 
4.678636 
1 1 1 -4  24  19 o 143.2743 2.179496  4354.574       128.9524 4186.396       
199.2171 4475.856       169.1758 140.8123 3.369823 145.7363 2.764977 -4.924026 
4.358992 
1 1 1 -4  24  20 o 151.7072 2.698188  4837.156       161.4518 4967.423       
283.1998 4774.432       196.5147 153.0063 4.408640 150.4082 3.112037 2.598175 
5.396377 
1 1 1 -4  24  21 o 66.40298 2.721168  928.8218       74.28281 958.7590       
118.4976 909.4415       95.34167 67.22332 4.198658 65.58263 3.462701 1.640686 
5.442337 
1 1 1 -4  24  22 o 96.20148 2.381851  1899.858       91.83896 2148.729       
159.0757 1775.437       112.4772 100.6980 3.762740 91.70497 2.921410 8.993011 
4.763701 
1 1 1 -4  24  23 o 89.83998 2.573100  1711.143       95.27535 1710.631       
149.6593 1711.492       123.5446 89.74435 3.972076 89.93562 3.272000 
-0.1912689     5.146200 
1 1 1 -4  24  24 o 17.39104 5.277336  1.187582       67.89275 13.28525       
107.2734 -6.896221      87.68977 18.65307 7.902984 16.12902 6.995994 2.524055 
10.55467 
1 1 1 -4  24  25 o 49.61169 3.604450  547.0838       69.25507 481.7220       
120.1698 579.5886       84.74358 47.05907 6.082371 52.16431 3.869496 -5.105240 
7.208899 
1 1 1 -4  24  26 o 71.57091 3.111116  1082.669       88.73725 1150.255       
153.4691 1048.725       108.7615 72.99813 5.007607 70.14368 3.693241 2.854446 
6.222231 
1 1 1 -4  24  27 o 28.76597 5.599876  207.5333       73.88499 99.51805       
125.7565 264.4735       91.30550 23.48587 9.030761 34.04607 6.624183 -10.56020 
11.19975 
1 1 1 -4  24  28 o 26.90401 5.525594  153.6978       67.76891 253.9558       
109.2349 90.96347       86.40814 32.66256 8.015041 21.14547 7.608407 11.51710 
11.05119 
1 1 1 -4  24  29 o 27.95436 5.934771  184.6286       75.30398 224.4390       
112.8915 152.7146       101.0771 30.37142 8.513656 25.53729 8.270653 4.834131 
11.86954 
1 1 1 -4  24  30 o 55.61153 3.649000  681.7161       85.13086 691.4167       
123.1381 672.8346       117.8241 55.94735 5.242447 55.27571 5.077159 0.6716385 
7.297999 
1 1 1 -4  24  31 o 66.21678 3.319631  979.3520       89.60306 721.2526       
126.6580 1237.940       126.7778 56.92529 5.299665 75.50827 3.999169 -18.58298 
6.639262 
1 1 1 -4  24  32 o 41.05555 4.936283  404.7047       81.60947 354.4955       
121.1595 446.4027       110.4140 37.84967 7.884306 44.26142 5.941823 -6.411747 
9.872565 
1 1 1 -4  24  33 o 72.26269 2.920584  1156.712       87.18790 1086.097       
133.1213 1209.757       115.3780 69.98738 4.530528 74.53799 3.686944 -4.550613 
5.841168 
1 1 1 -4  24  34 o 49.82254 3.649937  563.8051       75.65044 585.0989       
115.7085 547.9072       99.97868 50.39694 5.468675 49.24813 4.835470 1.148808 
7.299875 
1 1 1 -4  24  35 f 31.33338 5.419108  259.4132       70.61643 301.5752       
105.9194 225.6776       94.74565 33.68558 7.660441 28.98119 7.667109 4.704391 
10.83822 
1 1 1 -4  25  1  o 120.5927 3.407427  3004.943       156.6107 3298.385       
296.6410 2891.546       184.4046 124.2663 5.685894 116.9191 3.756707 7.347191 
6.814854 
1 1 1 -4  25  2  o 164.5537 4.334072  5727.948       274.2058 5955.655       
504.8685 5632.674       326.5704 166.2417 7.233680 162.8656 4.776044 3.376083 
8.668144 
1 1 1 -4  25  3  f 34.18597 5.322984  261.8849       71.86040 255.9739       
120.6599 265.1339       89.45541 33.69400 8.519862 34.67794 6.383460 
-0.9839439     10.64597 
1 1 1 -4  25  4  o 99.11592 3.098983  1977.175       117.3189 2330.043       
224.8126 1845.114       137.5310 104.7378 5.112557 93.49403 3.503788 11.24380 
6.197965 
1 1 1 -4  25  5  o 60.61945 3.009550  759.7795       75.68790 904.0403       
118.4933 660.3546       98.37109 65.36295 4.318006 55.87594 4.193375 9.487003 
6.019100 
1 1 1 -4  25  6  o 101.4932 2.864791  2172.950       121.7739 2233.250       
179.5316 2121.568       165.7245 102.7761 4.160735 100.2103 3.939087 2.565788 
5.729583 
1 1 1 -4  25  7  o 100.9164 2.962989  2139.748       124.4167 2248.518       
190.9565 2059.513       164.0061 103.0927 4.411917 98.74005 3.956287 4.352692 
5.925978 
1 1 1 -4  25  8  o 165.0651 3.322021  5716.202       212.0945 5906.761       
386.3580 5634.006       253.7473 166.7448 5.518980 163.3854 3.699212 3.359390 
6.644043 
1 1 1 -4  25  9  o 65.04359 3.099434  914.4738       82.01994 803.3079       
128.4666 990.9686       106.5664 61.56353 4.970358 68.52364 3.704256 -6.960110 
6.198869 
1 1 1 -4  25  10 o 109.1131 2.941312  2489.405       131.3601 2634.431       
213.3447 2400.854       166.7077 111.5719 4.554576 106.6542 3.723049 4.917702 
5.882623 
1 1 1 -4  25  11 o 128.6580 3.226727  3499.135       174.1275 3407.246       
240.0217 3601.229       252.9974 126.8905 4.505495 130.4256 4.620343 -3.535118 
6.453453 
1 1 1 -4  25  12 o 115.7100 3.259439  2842.037       157.9232 2692.720       
227.5995 2980.669       219.3057 112.7278 4.809075 118.6923 4.400971 -5.964516 
6.518877 
1 1 1 -4  25  13 o 46.68763 3.827658  456.7617       74.49606 532.6271       
113.1187 398.6584       98.99497 50.06657 5.381554 43.30869 5.444515 6.757889 
7.655316 
1 1 1 -4  25  14 o 154.8589 3.060557  5083.215       191.3412 5047.753       
316.8881 5103.564       240.0389 154.2569 4.893081 155.4610 3.677742 -1.204056 
6.121113 
1 1 1 -4  25  15 o 60.31763 3.368057  755.1376       84.03625 869.0467       
133.4957 680.3690       108.1553 63.97603 4.970168 56.65922 4.546721 7.316811 
6.736115 
1 1 1 -4  25  16 o 231.3797 10.49863  11849.13       1019.851 0.000000       
0.000000 11849.13       1019.851 ?        ?        231.3797 10.49863 ? ? 
1 1 1 -4  25  17 o 45.62766 4.279060  445.8097       81.88062 423.8965       
116.1230 467.4783       115.4731 44.48766 6.217270 46.76766 5.881069 -2.280003 
8.558121 
1 1 1 -4  25  18 o 103.7219 2.593415  2274.543       112.8540 2158.828       
158.0797 2394.818       161.1642 101.0198 3.727269 106.4240 3.607032 -5.404274 
5.186831 
1 1 1 -4  25  19 o 81.91350 2.579010  1397.337       85.86411 1507.606       
142.6037 1334.622       107.5442 84.33762 4.027452 79.48936 3.222544 4.848259 
5.158020 
1 1 1 -4  25  20 o 149.9929 2.440273  4807.561       148.7782 4556.707       
239.3451 4965.525       189.9303 146.6170 3.888314 153.3689 2.949701 -6.751953 
4.880545 
1 1 1 -4  25  21 o 97.53381 2.300739  2007.280       92.59811 2037.040       
145.4538 1987.000       120.0730 98.07523 3.532538 96.99239 2.948688 1.082840 
4.601477 
1 1 1 -4  25  22 o 32.70366 4.778375  238.9030       62.71825 249.7485       
97.65407 231.2885       81.82465 33.21698 7.204970 32.19033 6.278525 1.026653 
9.556750 
1 1 1 -4  25  23 f 66.58937 2.665367  945.6212       74.03397 912.6280       
110.0159 972.9279       100.0868 65.47141 4.002438 67.70733 3.520968 -2.235916 
5.330734 
1 1 1 -4  25  24 o 105.0327 2.615424  2316.406       107.3070 2433.277       
192.6385 2263.827       129.2097 106.6770 4.301237 103.3884 2.976765 3.288589 
5.230848 
1 1 1 -4  25  25 o 118.9197 2.725795  3004.258       122.2563 3053.201       
231.2203 2985.265       144.0374 119.1534 4.622114 118.6861 2.890657 0.4673080 
5.451590 
1 1 1 -4  25  26 o 70.10243 3.214576  1095.299       89.81680 925.7253       
145.3259 1200.103       114.2491 65.23000 5.306604 74.97485 3.629595 -9.744850 
6.429153 
1 1 1 -4  25  27 f 43.37856 4.370296  404.3145       76.85037 467.0274       
129.8050 370.4693       95.35909 45.65761 6.771726 41.09952 5.526453 4.558094 
8.740592 
1 1 1 -4  25  28 o 53.64941 3.748105  643.0712       82.73032 551.7958       
123.6094 717.1337       111.3458 49.85322 5.905810 57.44560 4.616770 -7.592384 
7.496210 
1 1 1 -4  25  29 o 18.15832 5.409134  14.00182       70.84436 74.76464       
109.8562 -29.25873      92.69403 21.04638 8.352760 15.27026 6.875051 5.776120 
10.81827 
1 1 1 -4  25  30 o 20.18027 5.321441  64.13178       67.39562 -23.47183      
97.54381 144.1520       93.22634 15.79838 7.085129 24.56217 7.941782 -8.763790 
10.64288 
1 1 1 -4  25  31 o 55.23298 3.359575  674.3798       77.87751 664.2891       
110.9939 684.1642       109.2966 54.78198 4.825947 55.68399 4.675168 
-0.9020081     6.719149 
1 1 1 -4  25  32 o 41.92458 4.305115  399.2168       75.24420 463.7557       
114.3562 349.9427       99.92131 44.88297 6.068749 38.96618 6.107892 5.916786 
8.610229 
1 1 1 -4  25  33 o 46.31003 4.342104  502.0354       84.10605 496.1141       
123.6606 507.1322       114.7288 45.82892 6.427069 46.79113 5.840229 
-0.9622078     8.684209 
1 1 1 -4  25  34 o 59.81093 3.634786  810.8130       89.86130 907.3474       
142.6414 747.2902       115.7096 62.38208 5.446364 57.23978 4.814956 5.142303 
7.269572 
1 1 1 -4  25  35 o 19.35159 6.466933  -77.60909      114.6074 176.4091       
229.6727 -161.8327      132.2495 24.71235 10.98267 13.99083 6.831246 10.72152 
12.93387 
1 1 1 -4  26  1  o 54.22999 4.139880  682.6973       85.76431 480.1557       
140.9983 801.6432       108.0517 47.02525 7.141737 61.43473 4.189273 -14.40948 
8.279759 
1 1 1 -4  26  2  o 50.13887 3.707997  528.8929       76.38365 574.8508       
123.2926 500.2658       97.30751 51.80827 5.668381 48.46948 4.781885 3.338787 
7.415994 
1 1 1 -4  26  3  o 122.7358 3.420717  3196.503       170.9259 3247.524       
278.8637 3165.800       216.3259 123.3146 5.386397 122.1569 4.218050 1.157768 
6.841434 
1 1 1 -4  26  4  o 72.74756 3.545146  1137.999       99.67423 1097.523       
178.5220 1156.331       120.1446 71.59103 5.939559 73.90409 3.872192 -2.313065 
7.090292 
1 1 1 -4  26  5  o 100.1005 3.373021  2130.546       129.3557 2127.707       
237.4508 2131.744       154.2545 99.79807 5.667251 100.4030 3.659418 
-0.6049347     6.746042 
1 1 1 -4  26  6  o 124.8405 3.096351  3265.466       160.2074 3545.965       
251.1387 3072.990       208.0346 129.2324 4.628746 120.4486 4.113913 8.783836 
6.192702 
1 1 1 -4  26  7  o 127.0351 3.331037  3441.433       175.8176 3316.182       
265.7610 3538.916       234.4580 124.8560 5.069941 129.2142 4.321912 -4.358162 
6.662074 
1 1 1 -4  26  8  o 136.7330 2.994268  3954.314       171.1602 4026.603       
255.0151 3895.055       230.8927 137.8167 4.407426 135.6493 4.054278 2.167419 
5.988537 
1 1 1 -4  26  9  o 151.8328 3.778961  4907.727       234.5571 4915.814       
377.2544 4902.630       299.4788 151.6873 5.923881 151.9783 4.693594 
-0.2910461     7.557922 
1 1 1 -4  26  10 o 107.4170 2.885386  2444.229       130.0299 2367.706       
185.3073 2518.456       182.5047 105.7387 4.174260 109.0953 3.984642 -3.356529 
5.770772 
1 1 1 -4  26  11 o 90.50575 2.816483  1741.229       106.4131 1542.005       
151.3989 1935.744       149.5990 85.32032 4.226603 95.69118 3.723728 -10.37086 
5.632967 
1 1 1 -4  26  12 o 50.69958 3.731006  549.5757       78.64395 458.2332       
110.2599 644.1682       112.2043 46.33820 5.667604 55.06097 4.853852 -8.722775 
7.462011 
1 1 1 -4  26  13 o 190.5652 3.797506  7756.327       302.3310 7556.367       
446.9129 7925.049       410.5225 188.1379 5.658060 192.9925 5.066612 -4.854523 
7.595011 
1 1 1 -4  26  14 o 31.03082 5.156910  201.1810       71.69270 338.3292       
108.2608 94.05937       95.67862 39.69124 6.496772 22.37040 8.010420 17.32084 
10.31382 
1 1 1 -4  26  15 o 28.94866 5.589705  180.9857       70.76126 249.2417       
107.8916 129.4635       93.73759 33.24480 7.846865 24.65251 7.962784 8.592287 
11.17941 
1 1 1 -4  26  16 o 82.82150 2.977168  1445.818       102.6328 1522.689       
157.3268 1388.870       135.4148 84.68093 4.425252 80.96207 3.983876 3.718864 
5.954337 
1 1 1 -4  26  17 o 84.01947 3.017308  1497.151       105.8399 1513.062       
158.6141 1484.380       142.1037 84.37379 4.477702 83.66515 4.045588 0.7086487 
6.034616 
1 1 1 -4  26  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  26  19 o 85.05221 3.058190  1535.499       108.7954 1575.260       
161.8150 1502.697       146.9734 86.01385 4.480965 84.09056 4.163059 1.923294 
6.116380 
1 1 1 -4  26  20 o 50.07093 3.193124  536.0928       66.66533 520.4891       
99.43086 548.8350       89.85303 49.35701 4.798367 50.78485 4.214243 -1.427849 
6.386249 
1 1 1 -4  26  21 o 64.26326 2.710364  856.6534       72.14205 1013.792       
113.9810 751.6320       93.18168 69.04054 3.932324 59.48598 3.731101 9.554565 
5.420728 
1 1 1 -4  26  22 o 15.28281 4.605102  -81.30382      59.06692 76.51036       
93.54580 -185.9422      76.17223 20.90570 7.858107 9.659910 4.803958 11.24579 
9.210204 
1 1 1 -4  26  23 o 94.59059 2.996635  1915.775       111.5551 1908.497       
194.7891 1919.327       136.0815 94.14532 4.928185 95.03585 3.410614 
-0.8905258     5.993271 
1 1 1 -4  26  24 o 121.4441 2.988733  3118.463       141.5331 3279.698       
254.7738 3046.495       170.2141 123.2323 4.924376 119.6558 3.388307 3.576508 
5.977467 
1 1 1 -4  26  25 o 24.16253 6.006060  120.3297       73.27183 148.1865       
122.8501 104.9486       91.28589 25.97598 9.099051 22.34909 7.842084 3.626890 
12.01212 
1 1 1 -4  26  26 o 58.23455 3.650918  733.5242       84.56654 760.9003       
145.7834 719.6403       103.8190 58.69932 5.915563 57.76979 4.280528 0.9295273 
7.301836 
1 1 1 -4  26  27 o 55.15297 3.841090  664.1332       84.26762 687.6998       
145.0651 652.1310       103.5256 55.48077 6.227898 54.82517 4.497685 0.6555977 
7.682179 
1 1 1 -4  26  28 o 63.38516 3.456064  890.7923       90.20602 817.5965       
138.0997 945.2630       119.1326 60.78455 5.411534 65.98577 4.300328 -5.201218 
6.912128 
1 1 1 -4  26  29 o 18.24058 5.326751  39.73776       66.12755 41.18303       
95.15928 38.38805       91.95972 18.41392 7.600429 18.06723 7.465292 0.3466911 
10.65350 
1 1 1 -4  26  30 o 49.88570 3.785309  554.9635       79.13660 527.3896       
108.0334 586.8911       116.2498 48.58533 5.296318 51.18607 5.409554 -2.600739 
7.570618 
1 1 1 -4  26  31 o 15.80720 5.077365  -45.49064      76.23047 -123.0849      
114.4474 16.38663       102.2013 14.13357 6.771825 17.48083 7.567096 -3.347259 
10.15473 
1 1 1 -4  26  32 o 20.88908 5.590680  55.13581       76.82240 190.7147       
114.1315 -57.17585      103.8776 26.90288 8.790623 14.87529 6.909976 12.02758 
11.18136 
1 1 1 -4  26  33 o 27.24449 5.541816  179.7388       71.94069 312.0268       
112.0306 86.90951       93.84664 34.51695 7.898140 19.97202 7.776007 14.54493 
11.08363 
1 1 1 -4  26  34 o 47.00526 4.299599  536.0486       83.19711 525.2720       
129.2797 543.6667       108.6962 45.92656 6.704828 48.08396 5.384373 -2.157406 
8.599197 
1 1 1 -4  27  1  o 25.13623 5.262729  72.38492       66.80491 291.9210       
121.3389 -23.10682      80.02578 35.58891 8.271037 14.68355 6.509623 20.90535 
10.52546 
1 1 1 -4  27  2  o 128.7229 3.676483  3683.171       180.3069 3229.111       
321.7066 3891.129       217.7161 122.0980 6.275846 135.3477 3.831429 -13.24961 
7.352965 
1 1 1 -4  27  3  o 57.82895 3.554011  694.4063       84.36400 815.4283       
137.9733 622.1417       106.6169 61.66732 5.329189 53.99058 4.703585 7.676743 
7.108022 
1 1 1 -4  27  4  o 69.60397 3.291769  999.1410       87.74477 1115.645       
165.4104 953.5195       103.5085 72.13492 5.461833 67.07304 3.675777 5.061882 
6.583538 
1 1 1 -4  27  5  o 96.51146 3.279234  1988.828       125.0338 1969.414       
216.4782 1998.546       153.1651 95.91679 5.375769 97.10613 3.756941 -1.189346 
6.558468 
1 1 1 -4  27  6  o 137.2587 2.937734  3971.540       160.0877 4087.106       
277.2254 3913.723       196.0859 138.5015 4.767597 136.0159 3.433822 2.485672 
5.875467 
1 1 1 -4  27  7  o 133.9526 3.185589  3853.156       175.4306 3613.620       
272.6053 4022.479       229.1958 130.1696 4.988223 137.7355 3.963526 -7.565948 
6.371178 
1 1 1 -4  27  8  o 83.75092 2.863878  1487.175       100.6849 1516.458       
143.7467 1458.973       141.0709 84.56024 4.049046 82.94158 4.051224 1.618660 
5.727756 
1 1 1 -4  27  9  o 74.44907 3.004732  1171.525       92.56377 1206.087       
144.5258 1147.487       120.5278 75.31104 4.570964 73.58709 3.901275 1.723953 
6.009464 
1 1 1 -4  27  10 o 156.2733 3.953316  5237.747       257.9376 5101.283       
382.4968 5351.561       349.3150 154.2293 5.907204 158.3173 5.255451 -4.087997 
7.906631 
1 1 1 -4  27  11 o 84.72245 2.837628  1526.404       100.5654 1454.871       
146.4073 1590.303       138.3744 82.79485 4.211922 86.65005 3.803714 -3.855209 
5.675256 
1 1 1 -4  27  12 o 38.07751 5.123227  345.3303       77.32161 201.7324       
117.2141 455.9567       102.8811 29.95573 8.766704 46.19928 5.304217 -16.24356 
10.24645 
1 1 1 -4  27  13 o 91.30736 2.908024  1770.773       111.0454 1748.467       
163.8259 1789.733       151.0364 90.72905 4.300880 91.88567 3.915208 -1.156616 
5.816049 
1 1 1 -4  27  14 o 55.14458 3.343366  652.0343       76.81653 601.4785       
112.9046 695.6058       104.8158 53.08191 5.066244 57.20724 4.364120 -4.125336 
6.686731 
1 1 1 -4  27  15 o 120.3380 3.174787  3100.597       156.8400 2986.873       
246.7256 3177.716       203.1744 118.2916 4.967999 122.3845 3.954247 -4.092903 
6.349574 
1 1 1 -4  27  16 o 20.62013 5.667962  63.10119       69.91599 56.93796       
107.3740 67.63783       92.12155 20.81425 8.258728 20.42601 7.765087 0.3882332 
11.33592 
1 1 1 -4  27  17 f 54.12121 3.825077  649.8618       82.66837 547.9375       
133.1891 713.7352       105.4362 50.34184 6.301742 57.90059 4.337384 -7.558746 
7.650154 
1 1 1 -4  27  18 o 57.31540 3.368987  698.3547       80.30154 729.7332       
123.3757 675.2915       105.7727 58.36609 5.034893 56.26471 4.477738 2.101372 
6.737973 
1 1 1 -4  27  19 o 19.01265 5.556463  29.03063       71.53631 41.20256       
109.7243 20.03188       94.34399 20.08643 8.204275 17.93887 7.495799 2.147560 
11.11293 
1 1 1 -4  27  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -4  27  21 f 81.96637 3.270293  1438.439       112.4033 1508.826       
163.9295 1375.981       154.4207 83.84220 4.657099 80.09053 4.592461 3.751671 
6.540586 
1 1 1 -4  27  22 o 43.15251 4.000421  394.4831       71.26517 512.1017       
110.4129 310.4941       93.30236 48.58578 5.412921 37.71924 5.891838 10.86654 
8.000842 
1 1 1 -4  27  23 o 34.82378 5.388653  270.9655       74.74324 335.3632       
123.5993 233.8392       93.84710 37.85796 8.021247 31.78959 7.197911 6.068365 
10.77731 
1 1 1 -4  27  24 o 91.66650 2.991010  1782.594       110.7234 1899.478       
186.1014 1718.548       137.7580 93.68118 4.731712 89.65182 3.659982 4.029366 
5.982020 
1 1 1 -4  27  25 o 23.06757 6.002534  106.9622       73.68379 114.3842       
126.9239 103.1893       90.49448 24.06509 9.124508 22.07005 7.801604 1.995041 
12.00507 
1 1 1 -4  27  26 o 36.91527 5.350554  307.7574       77.26875 381.2648       
131.7844 269.2486       95.38474 39.88041 8.152519 33.95013 6.931822 5.930279 
10.70111 
1 1 1 -4  27  27 o 54.97306 3.854461  684.0985       84.66769 614.8172       
138.5414 725.3997       106.9678 52.20334 6.321240 57.74279 4.412414 -5.539444 
7.708922 
1 1 1 -4  27  28 o 62.76617 3.413230  873.6105       88.67015 817.9700       
134.3785 916.5197       118.0075 60.70329 5.272769 64.82905 4.335718 -4.125763 
6.826459 
1 1 1 -4  27  29 o 31.42061 5.699176  242.3919       74.89159 276.4117       
115.9231 218.0212       98.11568 33.15322 8.331680 29.68800 7.778529 3.465223 
11.39835 
1 1 1 -4  27  30 o 26.17307 5.519759  157.8864       73.67887 49.72866       
101.5190 278.2633       107.1002 18.94345 7.836509 33.40268 7.775607 -14.45922 
11.03952 
1 1 1 -4  27  31 o 76.34229 3.132577  1291.578       100.3937 1290.337       
142.8772 1292.789       141.0960 76.27737 4.461576 76.40721 4.398467 
-0.1298447     6.265155 
1 1 1 -4  27  32 o 14.67388 4.855744  -93.81702      78.82730 -198.5119      
114.5692 0.2966982      108.6254 12.45643 6.134768 16.89133 7.528456 -4.434902 
9.711489 
1 1 1 -4  27  33 o 28.99189 6.077757  241.6183       81.17889 193.8431       
119.2922 282.8242       110.7875 25.90968 8.976742 32.07409 8.196012 -6.164410 
12.15551 
1 1 1 -4  28  1  o 30.92142 5.367641  227.5077       68.69258 187.2710       
110.3743 252.9456       87.76015 28.42131 8.554434 33.42153 6.485980 -5.000214 
10.73528 
1 1 1 -4  28  2  o 64.57657 3.532393  890.1664       88.62615 920.8464       
159.8561 876.5515       106.4908 65.06287 5.852173 64.09026 3.957684 0.9726181 
7.064785 
1 1 1 -4  28  3  o 25.25765 5.789973  142.9674       71.32778 95.69306       
115.8895 171.7968       90.50005 23.12261 8.733015 27.39268 7.604578 -4.270077 
11.57995 
1 1 1 -4  28  4  f 54.18861 3.678902  645.0411       80.19579 581.1588       
129.9339 684.3515       101.9262 51.76245 5.979001 56.61477 4.288220 -4.852314 
7.357804 
1 1 1 -4  28  5  o 17.84861 5.406937  -8.785542      68.95440 50.60025       
120.3420 -37.81278      84.13541 21.20451 8.615063 14.49272 6.536095 6.711795 
10.81387 
1 1 1 -4  28  6  o 67.16750 2.885995  960.5411       81.35522 952.7340       
116.2962 968.0233       113.8501 66.88637 4.141417 67.44864 4.020513 
-0.5622711     5.771989 
1 1 1 -4  28  7  o 124.0848 3.163618  3284.887       164.6958 3285.460       
237.3313 3284.354       228.7365 124.0580 4.556708 124.1115 4.389797 
-0.5352020E-01 6.327235 
1 1 1 -4  28  8  o 112.9962 3.013766  2721.313       142.8246 2652.222       
204.9808 2786.506       199.1159 111.5572 4.376598 114.4352 4.144457 -2.877937 
6.027531 
1 1 1 -4  28  9  o 142.0010 2.910580  4274.570       173.2031 4051.955       
236.3977 4532.573       254.4944 138.0394 4.079071 145.9625 4.152962 -7.923111 
5.821160 
1 1 1 -4  28  10 o 38.03707 4.751685  315.5558       72.80916 433.3657       
109.3397 221.6976       97.59392 44.85423 5.806244 31.21990 7.523401 13.63433 
9.503370 
1 1 1 -4  28  11 f 85.68517 2.962271  1561.176       105.4107 1569.047       
161.4924 1555.333       139.1392 85.78951 4.483723 85.58083 3.872523 0.2086792 
5.924543 
1 1 1 -4  28  12 o 105.9138 2.993915  2390.857       132.9525 2281.447       
189.6374 2496.621       186.4494 103.4818 4.364971 108.3459 4.098920 -4.864182 
5.987831 
1 1 1 -4  28  13 o 57.78127 3.384738  713.6552       81.94928 714.0418       
119.6657 713.3138       112.4575 57.76346 4.934435 57.79909 4.634345 
-0.3562927E-01 6.769476 
1 1 1 -4  28  14 o 76.38199 3.013402  1233.232       96.03111 1327.719       
145.9343 1161.068       127.5347 78.90372 4.405356 73.86026 4.112810 5.043465 
6.026804 
1 1 1 -4  28  15 o 64.16676 3.338319  858.8879       87.74567 979.0372       
143.9559 787.8601       110.6835 67.55547 5.075631 60.77804 4.337679 6.777435 
6.676638 
1 1 1 -4  28  16 o 41.43404 4.529120  393.7122       73.42908 298.6616       
111.1034 467.4303       97.84449 36.19687 7.557533 46.67122 4.993537 -10.47435 
9.058241 
1 1 1 -4  28  17 o 68.17390 3.245814  1006.671       91.53751 908.6970       
137.4380 1084.780       122.7164 65.02289 5.034563 71.32492 4.098099 -6.302032 
6.491628 
1 1 1 -4  28  18 o 100.9740 3.277959  2176.117       135.6361 2232.980       
217.9097 2140.152       173.3001 101.8238 5.097398 100.1242 4.122692 1.699570 
6.555918 
1 1 1 -4  28  19 o 188.8893 4.121556  7784.683       313.8369 7678.744       
519.2302 7845.664       393.9407 186.9141 6.616661 190.8645 4.916169 -3.950378 
8.243113 
1 1 1 -4  28  20 f 81.19942 3.101483  1418.877       103.4358 1394.830       
163.3173 1434.984       133.6601 80.43226 4.836409 81.96659 3.884061 -1.534332 
6.202966 
1 1 1 -4  28  21 o 28.99599 5.932346  198.4526       76.25012 181.4121       
115.9672 211.4302       101.2024 27.95900 8.839397 30.03299 7.914289 -2.073992 
11.86469 
1 1 1 -4  28  22 o 40.42640 8.078243  383.5219       132.2586 383.5219       
132.2586 0.000000       0.000000 40.42640 8.078243 ?        ?        ? ? 
1 1 1 -4  28  23 o 85.01421 3.342624  1570.144       118.4147 1541.585       
177.6021 1593.000       158.8844 84.13867 5.027747 85.88975 4.406166 -1.751076 
6.685247 
1 1 1 -4  28  24 o 118.1964 2.949264  2949.621       139.0324 3225.103       
241.4571 2812.982       170.0521 121.7805 4.722621 114.6122 3.534047 7.168335 
5.898529 
1 1 1 -4  28  25 o 27.90040 6.072555  181.0334       75.54663 221.9749       
127.0603 158.6453       93.95860 29.96219 9.210822 25.83861 7.916089 4.123585 
12.14511 
1 1 1 -4  28  26 o 91.47544 3.303818  1841.902       121.2539 1787.667       
201.6952 1872.596       151.7346 89.84263 5.347295 93.10825 3.881659 -3.265625 
6.607635 
1 1 1 -4  28  27 o 63.08937 3.818105  864.3181       96.41348 963.2026       
166.4908 814.4261       118.2607 65.24751 6.077812 60.93123 4.622976 4.316277 
7.636210 
1 1 1 -4  28  28 o 65.89490 3.422893  951.9409       93.69430 1021.418       
145.1805 902.3494       122.6566 67.74700 5.104337 64.04279 4.561857 3.704208 
6.845786 
1 1 1 -4  28  29 o 59.95686 3.564212  803.9948       89.28178 795.7790       
132.3658 810.8527       120.9342 59.48334 5.300312 60.43037 4.766668 
-0.9470253     7.128424 
1 1 1 -4  28  30 o 34.59912 5.314754  299.3535       74.86352 305.4680       
102.5012 292.3627       109.6010 35.22969 7.179034 33.96855 7.838872 1.261135 
10.62951 
1 1 1 -4  28  31 o 60.79735 3.683033  850.7619       92.86503 719.6165       
132.5596 977.1556       130.1359 55.70404 5.668204 65.89066 4.704294 -10.18662 
7.366066 
1 1 1 -4  28  32 f 18.28103 5.580059  35.05600       79.01835 85.24760       
115.9043 -8.531645      108.0105 20.30182 8.384372 16.26024 7.365498 4.041580 
11.16012 
1 1 1 -4  28  33 o 26.09276 5.387632  177.5195       81.63811 -15.63790      
121.1198 338.3335       110.5150 16.61904 7.616868 35.56649 7.621656 -18.94745 
10.77526 
1 1 1 -4  29  1  o 36.31759 5.007751  302.7953       68.43676 299.1100       
125.6402 304.3499       81.60561 35.28284 8.557478 37.35234 5.203832 -2.069496 
10.01550 
1 1 1 -4  29  2  o 44.34586 4.376650  402.8160       76.02703 525.3083       
141.0638 352.6691       90.25751 48.47359 6.931568 40.21812 5.345430 8.255470 
8.753300 
1 1 1 -4  29  3  o 66.46157 3.684818  966.7929       93.94619 939.4479       
170.2853 978.7577       112.6395 65.31420 6.209986 67.60894 3.968327 -2.294739 
7.369637 
1 1 1 -4  29  4  o 33.25455 5.595510  245.6502       77.64360 360.1944       
122.3349 168.3860       100.4738 39.50181 7.649601 27.00729 8.168388 12.49452 
11.19102 
1 1 1 -4  29  5  o 78.16850 3.348764  1314.457       106.3094 1320.666       
173.8655 1310.749       134.3502 78.06559 5.304871 78.27141 4.088427 
-0.2058182     6.697528 
1 1 1 -4  29  6  o 48.90904 4.114443  512.8730       79.03367 543.8223       
140.4223 498.5235       95.61599 49.67466 6.733212 48.14342 4.730583 1.531231 
8.228886 
1 1 1 -4  29  7  o 46.28409 3.780872  453.9913       72.44163 576.2291       
110.7152 362.4830       95.79313 51.68380 5.102392 40.88437 5.580821 10.79943 
7.561743 
1 1 1 -4  29  8  o 80.81407 2.719412  1393.467       92.15128 1346.213       
132.0963 1438.265       128.6165 79.44108 3.960651 82.18706 3.727472 -2.745979 
5.438824 
1 1 1 -4  29  9  f 70.09727 3.133391  1053.093       92.05191 983.0956       
130.2358 1122.973       130.1264 67.72018 4.580714 72.47435 4.276636 -4.754166 
6.266781 
1 1 1 -4  29  10 o 177.6720 3.443495  6780.780       256.6686 6848.854       
370.9622 6718.262       355.4998 178.4579 4.951252 176.8861 4.787036 1.571762 
6.886989 
1 1 1 -4  29  11 o 43.88012 3.998240  417.7301       73.04048 411.4722       
110.1046 422.6484       97.61007 43.49324 6.029825 44.26700 5.252131 
-0.7737579     7.996479 
1 1 1 -4  29  12 o 57.06487 3.490156  713.0341       81.68014 625.5463       
124.7603 778.6651       108.0580 53.77243 5.526343 60.35730 4.264303 -6.584873 
6.980311 
1 1 1 -4  29  13 o 115.0432 3.024632  2834.212       145.3881 2784.141       
215.2845 2876.197       197.1322 113.9962 4.498249 116.0902 4.044671 -2.094009 
6.049264 
1 1 1 -4  29  14 o 36.28522 4.926480  294.3660       72.77589 432.6638       
108.1041 179.7415       98.41776 44.63123 5.769319 27.93921 7.987226 16.69202 
9.852960 
1 1 1 -4  29  15 o 31.04778 5.744606  222.4427       75.93196 259.0666       
112.1354 191.4292       103.1896 33.34995 8.081880 28.74562 8.166101 4.604328 
11.48921 
1 1 1 -4  29  16 o 36.05059 5.028331  306.2076       73.01714 220.8604       
110.6190 372.1055       97.20103 30.71819 8.356841 41.38300 5.594611 -10.66482 
10.05666 
1 1 1 -4  29  17 o 74.01118 3.111113  1186.813       95.63706 1075.863       
141.5085 1280.100       129.7568 70.65304 4.770597 77.36932 3.994683 -6.716286 
6.222226 
1 1 1 -4  29  18 f 62.52428 3.288276  849.2351       85.49174 732.0591       
122.5986 960.1478       119.2770 58.15725 5.021143 66.89130 4.247253 -8.734051 
6.576552 
1 1 1 -4  29  19 o 66.46365 3.429884  986.8958       92.22602 793.7443       
141.1350 1130.838       121.8372 60.28223 5.576560 72.64507 3.994797 -12.36283 
6.859768 
1 1 1 -4  29  20 o 73.14359 3.093665  1156.280       93.99817 1128.308       
142.6279 1177.757       124.9803 72.21104 4.704592 74.07614 4.018688 -1.865097 
6.187329 
1 1 1 -4  29  21 o 41.25795 5.272316  395.9153       88.32639 463.0263       
123.8068 326.3523       126.0481 45.56495 6.471941 36.95095 8.324858 8.614006 
10.54463 
1 1 1 -4  29  22 o 51.47276 4.410712  590.1650       95.21098 629.3168       
136.8189 553.4025       132.5785 53.17885 6.128134 49.76666 6.345353 3.412186 
8.821424 
1 1 1 -4  29  23 o 93.58327 3.550432  1927.984       138.4243 1818.595       
204.9607 2019.724       187.6992 90.84689 5.373801 96.31963 4.641611 -5.472740 
7.100865 
1 1 1 -4  29  24 o 27.41720 10.18714  173.7313       156.3178 173.7313       
156.3178 0.000000       0.000000 27.41720 10.18714 ?        ?        ? ? 
1 1 1 -4  29  25 o 100.4167 3.497448  2226.792       146.7964 2143.283       
215.2082 2299.457       200.7482 98.39348 5.209710 102.4399 4.667707 -4.046417 
6.994895 
1 1 1 -4  29  26 o 21.28301 5.736040  79.95983       71.81989 140.7159       
112.0463 37.58915       93.56976 24.49459 8.678778 18.07144 7.502494 6.423145 
11.47208 
1 1 1 -4  29  27 o 41.89142 5.207263  449.5882       82.10293 326.1160       
135.9955 520.3998       102.9894 35.44646 9.094303 48.33638 5.075038 -12.88992 
10.41453 
1 1 1 -4  29  28 o 23.58174 5.145243  99.01571       77.95007 -126.6078      
119.3754 266.7294       102.9217 14.42433 6.912329 32.73914 7.623241 -18.31482 
10.29049 
1 1 1 -4  29  29 o 24.21978 6.093050  146.5031       78.54588 124.5417       
115.0952 165.6470       107.4589 23.04377 8.703094 25.39579 8.529783 -2.352028 
12.18610 
1 1 1 -4  29  30 o 31.60557 5.915904  265.3375       80.43039 317.3371       
117.3202 219.2251       110.4793 34.73439 8.172341 28.47676 8.555963 6.257635 
11.83181 
1 1 1 -4  29  31 o 31.14619 6.058631  271.0196       81.52148 286.7814       
119.7356 257.3997       111.3032 31.88257 8.703645 30.40981 8.430575 1.472765 
12.11726 
1 1 1 -4  29  32 o 25.85661 6.262657  196.0665       81.93594 197.2735       
119.8062 195.0060       112.3068 25.82329 8.991322 25.88992 8.720070 
-0.6662941E-01 12.52531 
1 1 1 -4  30  1  o 53.55639 4.728905  558.0657       96.85847 905.9440       
192.1409 439.5455       112.1508 62.77278 7.290707 44.34000 6.024595 18.43277 
9.457809 
1 1 1 -4  30  2  o 29.26908 5.941109  234.7721       85.13405 23.68247       
174.5782 300.6331       97.51492 22.50023 9.816058 36.03792 6.695678 -13.53769 
11.88222 
1 1 1 -4  30  3  o 57.08850 4.066608  668.1143       91.97398 885.8631       
166.9379 573.2109       110.2092 62.98637 6.312907 51.19063 5.128004 11.79574 
8.133217 
1 1 1 -4  30  4  o 79.55948 3.900278  1382.168       114.7053 1406.464       
222.9231 1373.420       133.7733 79.19218 6.704924 79.92679 3.986560 
-0.7346115     7.800555 
1 1 1 -4  30  5  o 29.34540 5.918605  212.2059       76.87323 157.6195       
130.7777 241.0247       95.02316 26.56161 9.379717 32.12919 7.220836 -5.567575 
11.83721 
1 1 1 -4  30  6  o 34.66220 5.602815  292.4157       78.72234 231.1294       
133.7052 324.9335       97.39288 30.94627 9.435544 38.37814 6.044555 -7.431873 
11.20563 
1 1 1 -4  30  7  o 21.21987 5.536335  75.06204       68.79697 139.4788       
99.06429 15.05347       95.61459 24.87824 8.189840 17.56150 7.451882 7.316740 
11.07267 
1 1 1 -4  30  8  o 71.38604 3.016510  1097.430       90.20878 1037.970       
129.2761 1153.859       125.9383 69.43050 4.434953 73.34158 4.090051 -3.911072 
6.033020 
1 1 1 -4  30  9  o 76.95363 3.042799  1268.786       98.04151 1324.243       
145.1372 1222.243       132.9644 78.45195 4.406523 75.45530 4.197268 2.996651 
6.085598 
1 1 1 -4  30  10 o 64.87943 3.232031  903.5394       87.51820 938.6235       
132.0755 876.0750       116.8560 65.92246 4.772106 63.83641 4.360174 2.086056 
6.464063 
1 1 1 -4  30  11 o 61.28989 3.254600  798.2045       82.97198 967.6533       
125.1894 665.4620       110.8034 67.06265 4.446393 55.51712 4.753869 11.54553 
6.509200 
1 1 1 -4  30  12 o 114.8224 3.056208  2835.426       146.0184 2814.280       
221.1512 2851.769       194.4234 114.2598 4.610167 115.3849 4.013475 -1.125069 
6.112416 
1 1 1 -4  30  13 o 28.00072 5.740805  184.9158       74.06207 124.7183       
109.6723 235.3825       100.4177 24.26534 8.587473 31.73609 7.621199 -7.470751 
11.48161 
1 1 1 -4  30  14 o 68.37505 3.281398  1009.020       94.15019 1003.594       
135.0538 1014.150       131.3216 68.16436 4.719222 68.58572 4.560617 
-0.4213638     6.562796 
1 1 1 -4  30  15 o 99.49284 3.010760  2123.138       125.6132 2006.503       
172.9613 2253.319       182.7286 96.60440 4.264549 102.3813 4.251155 -5.776886 
6.021520 
1 1 1 -4  30  16 o 22.05878 5.821248  90.04059       72.62450 120.9438       
108.3920 64.86593       97.83112 23.91919 8.529911 20.19837 7.923907 3.720818 
11.64250 
1 1 1 -4  30  17 o 38.93698 4.970699  361.6545       76.33595 267.7130       
116.9610 431.3648       100.7536 33.46098 8.344701 44.41298 5.403460 -10.95200 
9.941399 
1 1 1 -4  30  18 o 21.75066 5.556963  64.89337       71.65889 180.0771       
109.8539 -20.41998      94.54282 27.58829 8.581447 15.91303 7.062447 11.67526 
11.11393 
1 1 1 -4  30  19 o 94.97034 2.878718  1953.408       112.2756 1887.030       
176.4138 1998.599       145.5607 93.33820 4.501882 96.60249 3.589029 -3.264282 
5.757436 
1 1 1 -4  30  20 o 16.87985 5.334556  -28.61578      78.17720 -60.31609      
113.3579 0.1364306      107.9582 16.04994 7.361361 17.70976 7.722715 -1.659824 
10.66911 
1 1 1 -4  30  21 o 72.34567 3.606544  1151.637       108.7722 992.8249       
152.7282 1315.103       154.9502 67.06388 5.424398 77.62747 4.754423 -10.56359 
7.213088 
1 1 1 -4  30  22 o 83.12253 3.657512  1495.953       125.0072 1655.090       
201.7086 1396.717       159.2842 86.33716 5.564777 79.90789 4.747929 6.429268 
7.315023 
1 1 1 -4  30  23 o 72.40779 3.834197  1177.444       114.0605 1092.872       
176.2866 1238.342       149.5925 69.67538 6.026444 75.14020 4.741966 -5.464821 
7.668394 
1 1 1 -4  30  24 o 56.77870 4.447876  730.9962       105.4606 761.3225       
158.6287 706.9749       141.1793 57.64001 6.555094 55.91740 6.013747 1.722607 
8.895752 
1 1 1 -4  30  25 o 57.93424 6.434259  862.0598       129.8547 783.2542       
248.9725 891.5076       152.1949 53.05111 11.50199 62.81738 5.770873 -9.766270 
12.86852 
1 1 1 -4  30  26 o 54.37110 7.321012  702.7952       167.1160 702.7952       
167.1160 0.000000       0.000000 54.37110 7.321012 ?        ?        ? ? 
1 1 1 -4  30  27 o 57.86899 4.957608  794.3003       120.3140 845.8961       
173.1215 746.1013       167.3259 59.79353 6.896327 55.94444 7.124057 3.849091 
9.915216 
1 1 1 -4  30  28 o 14.87257 4.931145  -71.73251      77.29383 -83.89326      
118.8230 -62.81214      101.7680 15.22704 7.161419 14.51809 6.780771 0.7089424 
9.862290 
1 1 1 -4  30  29 o 55.54859 3.619231  715.4428       82.58924 632.9747       
125.0348 779.2726       110.0017 52.10661 5.715564 58.99057 4.441584 -6.883957 
7.238463 
1 1 1 -4  30  30 o 37.87193 5.080930  382.3829       76.77480 259.7158       
114.2440 483.4044       103.6756 30.33987 8.583866 45.40398 5.438808 -15.06411 
10.16186 
1 1 1 -4  30  31 o 21.70810 5.842703  107.4534       76.43234 196.4847       
117.4521 42.05587       100.6630 25.83436 8.911415 17.58184 7.558796 8.252516 
11.68541 
1 1 1 -4  31  1  o 19.75546 5.941226  35.49492       87.45194 -91.24455      
165.5598 84.54223       102.9927 18.50126 8.644072 21.00965 8.153078 -2.508396 
11.88245 
1 1 1 -4  31  2  o 33.42738 6.451704  277.4924       88.31804 302.4198       
159.5016 266.4705       106.0613 33.78393 10.30662 33.07084 7.763473 0.7130966 
12.90341 
1 1 1 -4  31  3  o 24.22733 6.513248  126.3499       89.44175 59.00742       
172.9768 150.9257       104.4952 23.23859 9.946807 25.21607 8.411339 -1.977474 
13.02650 
1 1 1 -4  31  4  o 69.30476 4.044141  1063.027       105.9572 1084.782       
198.5451 1054.364       125.2903 68.92107 6.861644 69.68844 4.282306 
-0.7673645     8.088282 
1 1 1 -4  31  5  o 57.29431 4.165034  730.5792       97.94331 738.2212       
155.7010 725.5751       125.9937 57.18591 6.485201 57.40271 5.228022 
-0.2168007     8.330069 
1 1 1 -4  31  6  o 76.86392 3.675150  1293.727       109.5882 1308.808       
196.5923 1286.928       131.9992 76.52686 6.118904 77.20098 4.072580 
-0.6741180     7.350299 
1 1 1 -4  31  7  o 18.25229 5.542762  9.979052       78.03326 -69.52053      
131.4026 53.28840       96.98673 17.14818 7.890426 19.35640 7.786528 -2.208212 
11.08552 
1 1 1 -4  31  8  o 81.93831 2.976723  1449.392       102.1370 1315.043       
142.4653 1591.471       146.5066 77.95350 4.353059 85.92312 4.061328 -7.969620 
5.953445 
1 1 1 -4  31  9  o 59.71135 3.487813  777.7219       87.37890 781.7446       
121.6222 773.4305       125.6196 59.91473 4.835041 59.50796 5.028095 0.4067764 
6.975626 
1 1 1 -4  31  10 f 68.87752 3.054968  1024.902       88.27721 1078.968       
126.0334 972.8323       123.6854 70.69360 4.246454 67.06142 4.393056 3.632179 
6.109936 
1 1 1 -4  31  11 o 28.92917 5.444529  196.3460       74.28863 308.8859       
104.6533 82.03983       105.4714 36.44743 7.092321 21.41092 8.262599 15.03651 
10.88906 
1 1 1 -4  31  12 o 147.2526 3.529327  4735.808       217.8629 4523.578       
311.3154 4939.503       304.9914 143.8298 5.155524 150.6753 4.821325 -6.845535 
7.058654 
1 1 1 -4  31  13 o 15.44652 4.944228  -37.28797      68.25669 -70.69087      
110.4128 -16.62639      86.83786 15.53378 7.180508 15.35925 6.798667 0.1745253 
9.888456 
1 1 1 -4  31  14 o 146.7486 4.041255  4760.639       247.6780 4711.091       
368.0548 4801.647       334.8362 145.6532 6.018849 147.8440 5.394481 -2.190811 
8.082510 
1 1 1 -4  31  15 o 25.37880 5.595795  120.9257       78.82515 -14.05868      
108.6906 270.6895       114.4863 17.24393 7.622943 33.51366 8.194047 -16.26973 
11.19159 
1 1 1 -4  31  16 o 75.16975 3.306311  1233.481       103.4256 1194.299       
155.3557 1264.669       138.6051 73.90004 5.007300 76.43945 4.318995 -2.539413 
6.612622 
1 1 1 -4  31  17 o 26.28312 5.781756  166.6982       74.77740 90.61717       
116.6696 219.7421       97.41759 22.26572 8.669914 30.30053 7.651627 -8.034803 
11.56351 
1 1 1 -4  31  18 o 39.28337 5.167009  354.1463       82.79076 448.6382       
124.6300 279.5148       110.7609 44.49795 6.671197 34.06878 7.892215 10.42917 
10.33402 
1 1 1 -4  31  19 o 26.76216 6.199233  165.4863       80.68542 222.2869       
123.9196 123.6841       106.3073 29.89692 9.077362 23.62739 8.445320 6.269527 
12.39847 
1 1 1 -4  31  20 o 31.81770 6.092693  252.6085       85.85065 180.7792       
121.9370 323.2120       120.8921 27.23386 9.086250 36.40154 8.119340 -9.167677 
12.18539 
1 1 1 -4  31  21 o 49.74275 4.461924  550.3834       92.23622 657.7862       
142.6652 473.2481       120.9028 53.82632 6.313127 45.65917 6.307097 8.167152 
8.923847 
1 1 1 -4  31  22 o 75.23659 3.909014  1260.276       120.7838 1298.682       
192.5957 1235.380       155.0679 75.70668 6.059453 74.76649 4.940102 0.9401855 
7.818028 
1 1 1 -4  31  23 o 31.22279 6.631415  256.2559       93.92120 234.5001       
146.7833 271.3384       122.2154 29.85721 9.969083 32.58837 8.747575 -2.731161 
13.26283 
1 1 1 -4  31  24 o 76.73695 3.799701  1292.571       119.8601 1475.908       
194.3775 1180.089       152.2519 80.66900 5.739320 72.80491 4.981076 7.864090 
7.599402 
1 1 1 -4  31  25 o 71.66663 3.987556  1179.229       114.1801 1122.344       
189.6465 1211.574       143.0032 69.38214 6.510557 73.95110 4.605982 -4.568962 
7.975113 
1 1 1 -4  31  26 o 23.85303 6.647069  123.0756       96.84647 175.6037       
152.9012 87.88351       125.1520 26.15231 9.985831 21.55375 8.775949 4.598562 
13.29414 
1 1 1 -4  31  27 o 30.89862 9.774210  272.1382       141.7779 0.000000       
0.000000 272.1382       141.7779 ?        ?        30.89862 9.774210 ? ? 
1 1 1 -4  31  28 o 39.78112 8.609171  429.2772       139.7221 429.2772       
139.7221 0.000000       0.000000 39.78112 8.609171 ?        ?        ? ? 
1 1 1 -4  31  29 o 30.54574 5.873300  258.2587       100.0666 482.5774       
138.8708 15.99903       144.3174 42.33278 8.102631 18.75869 8.504703 23.57409 
11.74660 
1 1 1 -4  31  30 o 40.41420 5.251960  394.1575       85.03212 708.4117       
139.7849 209.5661       107.1336 53.83983 6.184117 26.98856 8.490527 26.85126 
10.50392 
1 1 1 -4  32  1  o 73.44591 4.401646  1231.254       120.0040 1279.480       
231.0157 1213.431       140.4388 72.81488 7.556878 74.07694 4.515700 -1.262062 
8.803292 
1 1 1 -4  32  2  o 19.20055 5.926643  20.59102       85.75536 37.47995       
147.6637 11.99615       105.3398 20.85183 9.061984 17.54927 7.640736 3.302555 
11.85329 
1 1 1 -4  32  3  o 51.63348 5.684066  688.4884       100.1547 557.4807       
192.1079 737.3873       117.3672 45.57746 10.28358 57.68949 4.845861 -12.11203 
11.36813 
1 1 1 -4  32  4  o 27.96455 6.601023  191.4472       86.91152 225.0064       
152.1966 175.2083       105.8713 29.36790 10.14288 26.56119 8.450803 2.806704 
13.20205 
1 1 1 -4  32  5  o 48.84608 5.162036  533.4026       100.1560 641.5895       
177.8431 483.1526       121.2043 51.64127 8.202783 46.05090 6.269039 5.590366 
10.32407 
1 1 1 -4  32  6  o 38.81447 5.936646  349.2950       88.06962 443.6467       
161.0194 309.0211       105.1998 41.65541 9.425972 35.97353 7.219841 5.681885 
11.87329 
1 1 1 -4  32  7  o 60.61147 3.934519  776.6327       95.24558 964.4201       
168.3974 688.3013       115.4940 65.32180 6.140422 55.90113 4.921075 9.420666 
7.869039 
1 1 1 -4  32  8  o 60.57975 3.496436  808.4563       87.79884 653.6632       
121.6405 976.8085       126.8563 54.28730 5.337047 66.87221 4.518427 -12.58491 
6.992872 
1 1 1 -4  32  9  o 17.90984 5.388051  10.62436       73.04054 64.29253       
104.5764 -40.49148      102.0594 20.18607 8.099885 15.63361 7.107476 4.552455 
10.77610 
1 1 1 -4  32  10 o 37.68491 4.869137  332.6422       74.40579 411.1265       
105.8409 255.9565       104.6210 42.85508 5.882642 32.51474 7.760702 10.34034 
9.738274 
1 1 1 -4  32  11 o 38.84665 4.985881  344.9045       79.09107 405.8096       
121.4474 300.0514       104.2216 42.11699 6.868343 35.57632 7.229238 6.540672 
9.971762 
1 1 1 -4  32  12 o 30.09560 5.819496  220.9596       75.23180 232.7819       
113.3065 211.6384       100.6093 30.70004 8.504489 29.49115 7.946057 1.208889 
11.63899 
1 1 1 -4  32  13 o 22.11279 5.812247  97.34017       73.75058 57.42450       
104.3178 137.2272       104.2803 19.84684 8.037489 24.37874 8.398072 -4.531902 
11.62449 
1 1 1 -4  32  14 o 59.27708 3.617037  770.6353       89.66901 820.1486       
134.1193 730.6138       120.5806 60.91741 5.244101 57.63675 4.983095 3.280663 
7.234074 
1 1 1 -4  32  15 o 55.16130 3.929868  686.5504       89.38412 563.5962       
129.2130 799.3794       123.7785 50.00177 6.155196 60.32083 4.887638 -10.31905 
7.859736 
1 1 1 -4  32  16 o 92.18060 3.240198  1851.720       124.7985 1616.728       
171.5560 2115.846       181.8797 85.84396 4.760113 98.51725 4.397369 -12.67329 
6.480396 
1 1 1 -4  32  17 o 28.10215 6.162856  189.5926       80.50837 247.6514       
123.5011 146.6879       106.1669 31.30660 8.946546 24.89770 8.478354 6.408903 
12.32571 
1 1 1 -4  32  18 o 37.57045 5.182871  337.3506       79.07384 313.2473       
120.5051 355.5768       104.7893 35.60830 8.221075 39.53260 6.313679 -3.924305 
10.36574 
1 1 1 -4  32  19 o 87.13135 3.301579  1656.561       120.1515 1795.233       
181.4947 1548.372       160.3101 90.24866 4.790097 84.01403 4.544960 6.234634 
6.603158 
1 1 1 -4  32  20 o 87.41273 3.554086  1689.693       130.1904 1581.527       
177.9185 1814.364       191.0121 84.41837 5.020017 90.40710 5.032450 -5.988731 
7.108173 
1 1 1 -4  32  21 o 25.65180 6.667162  156.8662       95.45380 118.8929       
135.0386 194.7871       134.9455 23.70500 9.307102 27.59859 9.548930 -3.893589 
13.33432 
1 1 1 -4  32  22 o 36.68341 6.064298  286.4891       98.58200 604.8009       
171.3131 128.8975       120.5399 49.64768 8.218880 23.71914 8.919242 25.92855 
12.12860 
1 1 1 -4  32  23 o 27.25689 5.688304  41.68837       94.96032 453.3098       
159.2868 -185.2652      118.2767 41.36406 9.385534 13.14971 6.429539 28.21434 
11.37661 
1 1 1 -4  32  24 f 27.48286 6.501661  172.8777       89.13293 315.3305       
149.1423 93.72790       111.1706 33.61702 9.905107 21.34870 8.424680 12.26831 
13.00332 
1 1 1 -4  32  25 o 20.57962 6.133961  59.70313       86.70523 110.2946       
147.0173 32.72181       107.3647 22.96600 9.457888 18.19323 7.813468 4.772768 
12.26792 
1 1 1 -4  32  26 o 21.76638 6.345644  89.32021       90.44196 151.4276       
151.5984 54.99979       112.6937 24.35150 9.760227 19.18126 8.112136 5.170246 
12.69129 
1 1 1 -4  32  27 f 16.45400 5.402629  -48.89123      91.70705 -121.7911      
137.7782 9.098067       122.8828 15.22949 7.329010 17.67851 7.939723 -2.449021 
10.80526 
1 1 1 -4  32  28 o 22.12950 6.390482  123.4801       94.19678 142.8059       
132.8437 103.9370       133.5882 22.95874 9.162051 21.30025 8.911222 1.658489 
12.78096 
1 1 1 -4  33  1  o 63.59811 4.619679  947.5143       114.5203 1034.572       
205.6395 908.3765       137.8797 64.22147 7.626889 62.97477 5.215007 1.246700 
9.239358 
1 1 1 -4  33  2  o 34.79277 6.631365  323.1875       94.71667 374.2533       
166.1900 298.6205       115.2701 35.75771 10.43046 33.82782 8.191800 1.929890 
13.26273 
1 1 1 -4  33  3  o 40.34830 6.175478  378.2401       93.94524 569.5511       
179.3657 305.9181       110.2820 45.90785 9.615602 34.78876 7.751536 11.11908 
12.35096 
1 1 1 -4  33  4  o 29.37521 6.669837  225.9586       90.06423 257.8239       
153.7100 209.2989       111.1414 30.41062 10.20159 28.33981 8.595023 2.070808 
13.33967 
1 1 1 -4  33  5  o 43.71098 5.904719  419.9827       95.45362 659.3101       
187.5662 336.3375       110.8866 50.38765 9.208695 37.03431 7.393425 13.35334 
11.80944 
1 1 1 -4  33  6  o 25.45310 6.659043  148.4343       90.79558 203.8806       
154.3547 119.0990       112.2740 27.93216 10.15718 22.97405 8.614120 4.958105 
13.31809 
1 1 1 -4  33  7  o 76.93489 3.847031  1310.846       118.7297 1407.484       
202.2319 1260.016       146.6673 78.34409 6.148434 75.52568 4.625511 2.818413 
7.694062 
1 1 1 -4  33  8  o 45.67000 5.079289  463.3336       92.28120 649.7969       
155.7769 362.5192       114.5427 52.60918 7.052814 38.73082 7.311261 13.87837 
10.15858 
1 1 1 -4  33  9  f 37.85835 5.239690  348.1990       80.24478 328.6007       
115.4709 366.5036       111.5948 36.56205 7.757681 39.15465 7.045267 -2.592598 
10.47938 
1 1 1 -4  33  10 o 48.34244 4.193577  520.6739       83.69526 669.4224       
126.8834 406.1025       111.3567 54.57994 5.537232 42.10494 6.299476 12.47500 
8.387154 
1 1 1 -4  33  11 f 23.12512 5.831321  120.6513       74.27573 67.17255       
110.5104 164.7151       100.3121 20.39647 8.267452 25.85377 8.225963 -5.457306 
11.66264 
1 1 1 -4  33  12 o 29.31690 5.892206  216.9055       76.84731 180.1697       
110.8229 250.9294       106.6540 26.86537 8.656162 31.76843 7.996450 -4.903059 
11.78441 
1 1 1 -4  33  13 o 20.01548 5.369172  20.36405       80.03764 -184.8892      
122.4661 173.3982       105.7463 13.59704 6.627177 26.43392 8.449411 -12.83688 
10.73834 
1 1 1 -4  33  14 o 49.87163 3.957017  562.8157       82.21834 515.4779       
120.0280 604.6627       112.8521 47.63333 6.001954 52.10993 5.158342 -4.476604 
7.914034 
1 1 1 -4  33  15 o 92.46568 3.318196  1893.621       128.1164 1787.726       
187.4987 1986.362       175.4670 89.75250 4.975913 95.17886 4.391128 -5.426353 
6.636393 
1 1 1 -4  33  16 o 44.54872 4.714561  465.9905       85.29086 531.3556       
120.4373 400.2284       120.8025 48.35176 5.932937 40.74568 7.328615 7.606087 
9.429122 
1 1 1 -4  33  17 f 60.46939 3.904085  832.0645       97.63367 690.5338       
139.9002 966.4424       136.3192 54.97963 6.060906 65.95914 4.922696 -10.97952 
7.808170 
1 1 1 -4  33  18 o 24.15251 6.365701  125.2336       88.60818 66.25224       
119.2872 197.8402       132.3502 20.64344 8.513414 27.66158 9.466276 -7.018145 
12.73140 
1 1 1 -4  33  19 o 80.13728 3.581775  1425.838       120.0012 1266.918       
162.6093 1615.888       177.8242 75.18491 5.151525 85.08966 4.977775 -9.904755 
7.163551 
1 1 1 -4  33  20 o 20.58827 6.090464  61.53735       88.52726 44.68367       
126.1590 77.88631       124.2556 19.94071 8.513640 21.23583 8.711656 -1.295122 
12.18093 
1 1 1 -4  33  21 o 54.60620 4.679345  704.4991       106.5979 633.5975       
152.4709 772.2916       149.0903 51.50800 7.050719 57.70440 6.154058 -6.196404 
9.358689 
1 1 1 -4  33  22 o 15.00730 5.115718  -153.7959      93.24895 -79.23781      
144.7322 -206.7103      121.9284 17.04215 7.990772 12.97245 6.389824 4.069697 
10.23144 
1 1 1 -4  33  23 o 22.67061 6.450914  100.0298       91.81084 178.7021       
152.7410 55.52500       114.8809 25.86169 9.950884 19.47953 8.212008 6.382166 
12.90183 
1 1 1 -4  33  24 o 25.67540 6.624955  139.2347       91.91074 320.5875       
163.2399 55.05783       111.2143 32.26580 10.51308 19.08500 8.064439 13.18081 
13.24991 
1 1 1 -4  33  25 o 36.16832 5.801010  295.6559       95.25018 665.6942       
165.7640 113.2495       116.3823 50.67742 7.791064 21.65922 8.596870 29.01820 
11.60202 
1 1 1 -4  33  26 o 20.26289 6.152621  76.88101       91.55914 71.54099       
154.0618 79.79699       113.8452 20.71581 9.127206 19.80996 8.253067 0.9058475 
12.30524 
1 1 1 -4  34  1  o 33.70876 6.675144  310.5429       101.6307 544.4029       
169.7392 179.8529       126.8894 42.67700 9.692122 24.74053 9.181121 17.93647 
13.35029 
1 1 1 -4  34  2  o 21.31394 6.323000  40.39929       95.26659 244.6859       
166.8249 -58.45791      116.0500 27.42782 10.44290 15.20006 7.132125 12.22776 
12.64600 
1 1 1 -4  34  3  o 33.48561 6.535936  319.7014       91.83884 348.6383       
157.7615 304.8685       112.9503 33.40643 10.26221 33.56479 8.096971 
-0.1583557     13.07187 
1 1 1 -4  34  4  o 20.43178 6.135489  67.84378       87.88680 102.9023       
149.3507 49.27266       108.6999 22.20964 9.363141 18.65392 7.931486 3.555721 
12.27098 
1 1 1 -4  34  5  o 18.53830 5.803521  18.51422       89.33884 -22.71734      
145.5090 43.46122       113.1838 18.28199 8.366310 18.79462 8.045388 
-0.5126324     11.60704 
1 1 1 -4  34  6  o 35.63242 6.500068  309.2648       94.89042 508.1852       
168.6694 217.1536       114.7764 42.91301 9.603605 28.35182 8.762094 14.56120 
13.00014 
1 1 1 -4  34  7  o 28.10824 6.782903  210.2136       98.21969 289.1302       
145.9321 144.8594       132.8017 31.94868 9.881275 24.26780 9.294703 7.680883 
13.56581 
1 1 1 -4  34  8  o 37.83423 6.665135  389.1960       105.4650 387.0689       
153.3493 391.1050       145.2779 37.48430 9.679813 38.18417 9.165006 
-0.6998672     13.33027 
1 1 1 -4  34  9  o 16.54634 5.442019  -66.73617      92.24235 -130.6313      
142.6545 -20.82525      120.9232 15.86840 7.592762 17.22427 7.798222 -1.355873 
10.88404 
1 1 1 -4  34  10 o 86.14774 3.362397  1640.471       118.9153 1725.331       
190.7719 1586.547       152.0748 87.46432 5.195226 84.83115 4.269952 2.633163 
6.724795 
1 1 1 -4  34  11 o 24.93959 6.089039  152.6449       80.28023 95.69811       
113.9800 208.7078       113.0920 21.62267 8.531203 28.25651 8.690465 -6.633835 
12.17808 
1 1 1 -4  34  12 o 57.54110 3.780403  747.3749       90.99263 834.8799       
131.3545 666.6436       126.1681 60.93428 5.134573 54.14792 5.549949 6.786358 
7.560805 
1 1 1 -4  34  13 f 21.85696 5.378792  59.22307       81.30000 -156.2910      
122.6371 228.1973       108.5911 13.99948 6.774481 29.71444 8.356555 -15.71496 
10.75758 
1 1 1 -4  34  14 o 76.47269 3.356079  1285.595       106.8336 1433.967       
164.7001 1177.820       140.3707 80.08889 4.898271 72.85648 4.589119 7.232414 
6.712159 
1 1 1 -4  34  15 o 40.08566 5.037658  385.7207       81.47446 509.4074       
120.4584 281.4236       110.6145 46.91872 6.115220 33.25260 8.007253 13.66611 
10.07532 
1 1 1 -4  34  16 o 32.66953 5.941480  289.6849       86.07877 185.1135       
131.0840 368.9636       114.1357 26.57984 9.390237 38.75922 7.282044 -12.17938 
11.88296 
1 1 1 -4  34  17 o 58.88671 4.090830  797.9742       99.82110 649.9629       
138.6476 957.2609       143.8318 52.77251 6.257859 65.00092 5.270555 -12.22840 
8.181660 
1 1 1 -4  34  18 o 48.26932 4.657960  551.3185       94.28134 585.5525       
134.6217 518.3639       132.0824 49.86849 6.429985 46.67014 6.741042 3.198345 
9.315920 
1 1 1 -4  34  19 o 58.13321 4.418056  797.4212       104.7150 588.7241       
145.3394 1022.696       151.0015 49.36815 7.012256 66.89827 5.376348 -17.53012 
8.836111 
1 1 1 -4  34  20 o 29.01453 6.460301  222.7672       95.60173 353.4579       
139.9406 108.3945       130.9130 35.73140 9.256226 22.29766 9.014668 13.43374 
12.92060 
1 1 1 -4  34  21 o 85.98199 3.793797  1689.134       135.7369 1836.703       
209.0710 1581.609       178.4637 88.83894 5.605463 83.12506 5.113745 5.713875 
7.587595 
1 1 1 -4  34  22 o 35.78141 6.224839  326.1739       99.30155 600.8625       
162.2065 161.5157       125.5855 47.25496 8.484115 24.30786 9.111217 22.94710 
12.44968 
1 1 1 -4  34  23 o 21.85872 6.206935  112.6878       92.35183 25.32076       
146.5694 170.2110       118.9300 19.16830 8.636755 24.54915 8.916874 -5.380852 
12.41387 
1 1 1 -4  34  24 o 39.31017 6.074378  387.5302       98.64626 665.6798       
170.1535 246.7115       121.0687 49.77290 8.142712 28.84743 9.016015 20.92547 
12.14876 
1 1 1 -4  35  5  o 26.25639 6.691332  209.7620       94.38423 219.6008       
138.2640 201.1762       129.1595 26.64877 9.620789 25.86400 9.302480 0.7847729 
13.38266 
1 1 1 -4  35  6  o 13.91694 4.779011  -136.6144      87.04918 -191.7353      
136.0624 -98.41914      113.2622 13.78714 6.785204 14.04673 6.731774 
-0.2595901     9.558022 
1 1 1 -4  35  7  o 20.95991 5.897145  74.93207       91.58564 -94.57467      
142.4707 194.3118       119.5632 15.99815 7.638769 25.92166 8.986351 -9.923512 
11.79429 
1 1 1 -4  35  8  o 66.29629 4.560588  1068.764       123.0362 1075.624       
198.3709 1064.476       156.8504 65.27687 7.238352 67.31570 5.549964 -2.038834 
9.121176 
1 1 1 -4  35  9  o 49.69930 5.576230  655.3086       108.6859 531.4287       
164.5475 751.1824       144.7574 43.40926 9.298034 55.98933 6.158240 -12.58007 
11.15246 
1 1 1 -4  35  10 o 49.09767 4.757788  585.0654       97.15249 694.6138       
142.5580 490.0666       132.7541 53.77730 6.314130 44.41805 7.118844 9.359257 
9.515575 
1 1 1 -4  35  11 o 41.28911 5.555766  442.1305       92.77556 443.5959       
133.0103 440.7422       129.4702 41.24953 7.964730 41.32869 7.747852 
-0.7916260E-01 11.11153 
1 1 1 -4  35  12 o 38.97584 5.970806  408.0936       93.65895 393.1687       
146.5656 418.3947       121.7636 37.34749 9.357886 40.60419 7.418361 -3.256706 
11.94161 
1 1 1 -4  35  13 o 38.23499 5.362301  385.8296       82.25121 297.5811       
126.7461 450.0305       108.1065 32.70660 8.966459 43.76338 5.883852 -11.05678 
10.72460 
1 1 1 -4  35  14 o 38.81744 5.640076  376.0105       86.98978 484.8617       
142.8303 311.8256       109.6781 42.98050 8.209161 34.65439 7.736375 8.326107 
11.28015 
1 1 1 -4  35  15 o 20.88779 5.783112  67.35786       87.02198 -90.32080      
132.6820 186.3879       115.2800 15.75557 7.464911 26.02001 8.834741 -10.26443 
11.56622 
1 1 1 -4  35  16 o 24.28592 6.138377  143.4675       81.02118 236.4660       
126.6776 79.08942       105.3975 28.70248 9.255320 19.86936 8.065837 8.833126 
12.27675 
1 1 1 -4  35  17 o 29.42071 6.626596  252.1086       91.80921 259.0091       
136.8623 246.4629       123.7946 29.55073 9.626288 29.29069 9.109429 0.2600479 
13.25319 
1 1 1 -4  35  18 o 23.04857 6.409258  137.5825       91.46525 154.5071       
127.1766 119.4486       131.6418 23.85159 9.107203 22.24555 9.020710 1.606041 
12.81852 
1 1 1 -4  35  19 o 69.57129 4.202928  1163.059       121.9921 1099.396       
178.6306 1218.703       167.0018 67.20255 6.331276 71.94003 5.529318 -4.737488 
8.405856 
1 1 1 -4  35  20 o 34.37193 7.097146  360.1609       111.3651 491.6938       
169.7622 260.7949       147.5513 40.04538 10.09381 28.69846 9.979627 11.34692 
14.19429 
1 1 1 -4  35  21 o 34.21652 6.476922  359.5317       103.7313 210.7641       
150.2571 494.9945       143.3808 25.99886 9.907299 42.43418 8.345509 -16.43532 
12.95384 
1 1 1 -4  35  22 o 19.08484 6.049724  34.76180       100.1068 46.22463       
148.3219 25.17146       135.6676 19.64482 8.775269 18.52484 8.330145 1.119982 
12.09945 
1 1 1 -4  36  11 o 20.83286 6.163343  91.89414       94.02167 19.31663       
144.3649 145.3549       123.9020 18.70810 8.491336 22.95761 8.935571 -4.249512 
12.32669 
1 1 1 -4  36  12 o 16.87515 5.536311  -34.38404      90.81255 23.82525       
146.9671 -70.33617      115.5011 18.94419 8.585940 14.80612 6.991751 4.138077 
11.07262 
1 1 1 -4  36  13 o 26.87202 6.609929  218.1676       91.86442 255.3688       
133.2609 184.4805       126.8108 28.76232 9.498788 24.98172 9.194438 3.780602 
13.21986 
1 1 1 -4  36  14 o 35.47841 6.338031  362.5655       93.80719 392.4060       
143.0722 340.0639       124.2392 36.35398 9.328377 34.60284 8.582770 1.751144 
12.67606 
1 1 1 -4  36  15 o 18.06732 5.746484  -24.56662      90.02974 127.9102       
149.5197 -111.2902      112.7626 22.45677 9.413116 13.67786 6.594053 8.778913 
11.49297 
1 1 1 -4  36  16 o 17.31671 5.580455  -39.37077      97.06161 -190.5943      
145.3041 82.47592       130.4292 14.31508 7.034320 20.31834 8.665117 -6.003259 
11.16091 
1 1 1 -3  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -35 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -34 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -34 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 1  o 37.19945 6.998629  317.8433       105.2879 317.8433       
105.2879 0.000000       0.000000 37.19945 6.998629 ?        ?        ? ? 
1 1 1 -3  -30 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 1  o 100.0412 2.766148  2084.636       106.0903 2258.627       
198.2858 2014.851       125.5761 102.5924 4.603599 97.48994 3.068091 5.102470 
5.532297 
1 1 1 -3  -29 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -29 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 1  o 65.06934 2.326832  890.1746       63.33954 989.3915       
94.16432 808.1879       85.59840 68.35898 3.281043 61.77971 3.300204 6.579266 
4.653664 
1 1 1 -3  -28 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 1  o 36.37724 2.734679  277.8828       41.34993 263.7458       
54.21441 297.5444       63.93599 35.29872 3.658279 37.45577 4.065816 -2.157047 
5.469357 
1 1 1 -3  -27 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 1  o 103.3382 2.082070  2232.052       89.43319 2122.607       
117.2836 2384.103       138.2395 100.3615 2.783502 106.3150 3.097125 -5.953499 
4.164140 
1 1 1 -3  -26 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -26 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 1  o 152.9575 2.223249  4934.094       142.1324 4977.481       
192.6008 4882.209       210.6164 153.7250 2.984246 152.1900 3.296304 1.534973 
4.446498 
1 1 1 -3  -25 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 1  o 189.8163 2.569385  7516.664       198.2084 7299.553       
248.9910 7892.248       327.4895 186.1975 3.185158 193.4351 4.032583 -7.237579 
5.138770 
1 1 1 -3  -24 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 1  o 109.9784 2.006366  2541.811       92.52102 2729.283       
133.0407 2366.226       128.7535 113.9060 2.782013 106.0508 2.891786 7.855186 
4.012733 
1 1 1 -3  -23 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 1  o 195.5771 2.287701  8021.375       185.9297 8265.999       
285.8637 7842.013       244.7795 198.1153 3.436862 193.0388 3.020311 5.076553 
4.575401 
1 1 1 -3  -22 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 1  o 81.58409 1.758872  1403.808       59.30128 1425.403       
77.64341 1373.575       91.86945 82.35117 2.245722 80.81701 2.707630 1.534157 
3.517745 
1 1 1 -3  -21 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -21 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 1  o 55.58547 1.910211  657.6701       43.70910 697.3785       
57.52272 603.4198       67.23556 57.60489 2.378489 53.56606 2.989719 4.038830 
3.820423 
1 1 1 -3  -20 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -20 20 o 21.20422 7.836421  95.52568       92.25156 95.52568       
92.25156 0.000000       0.000000 21.20422 7.836421 ?        ?        ? ? 
1 1 1 -3  -20 21 o 58.62195 3.607349  797.3798       74.00051 713.9026       
149.5235 824.4589       85.16135 55.42967 6.425222 61.81422 3.281521 -6.384552 
7.214697 
1 1 1 -3  -20 22 o 22.85271 5.586844  128.6188       61.19086 115.3043       
122.5275 133.0430       70.62913 22.51751 8.857643 23.18792 6.811276 
-0.6704159     11.17369 
1 1 1 -3  -20 23 o 17.96012 5.399351  41.72734       63.48629 85.19437       
124.4186 26.42584       73.81973 20.48128 8.585960 15.43896 6.549293 5.042323 
10.79870 
1 1 1 -3  -19 1  o 134.7605 1.978033  3805.647       111.1612 3723.490       
148.1222 3911.581       168.1954 133.1089 2.650539 136.4121 2.936853 -3.303177 
3.956067 
1 1 1 -3  -19 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -19 18 o 51.28988 3.474736  572.3580       73.25233 558.9487       
115.1196 581.4816       94.95666 50.60857 5.418088 51.97118 4.351951 -1.362602 
6.949471 
1 1 1 -3  -19 19 o 32.16989 4.514392  215.2458       53.34882 296.2527       
105.0935 187.1245       61.92020 35.53980 7.294102 28.79998 5.321186 6.739826 
9.028784 
1 1 1 -3  -19 20 o 36.02882 4.592888  283.7772       61.46867 335.8010       
117.2599 264.0644       72.18108 37.39401 7.731634 34.66364 4.959870 2.730377 
9.185776 
1 1 1 -3  -19 21 o 39.08170 4.671802  346.8380       64.14692 374.8505       
129.7874 337.7832       73.78960 38.91623 8.200503 39.24717 4.478245 
-0.3309479     9.343604 
1 1 1 -3  -19 22 o 14.86360 4.789397  -20.65496      56.98883 -32.28253      
117.4554 -17.07485      65.17435 16.75482 7.619218 12.97238 5.805240 3.782443 
9.578794 
1 1 1 -3  -19 23 o 33.69384 5.558309  307.1298       72.48531 245.9985       
140.9794 329.0974       84.51156 29.43159 9.770003 37.95609 5.303417 -8.524500 
11.11662 
1 1 1 -3  -19 24 o 17.86690 5.347306  50.39733       67.98415 -42.03812      
141.2203 78.28146       77.56335 17.09527 7.985719 18.63853 7.113580 -1.543262 
10.69461 
1 1 1 -3  -18 1  o 128.0447 1.776497  3407.144       93.23659 3280.532       
118.5668 3612.294       150.9257 124.9710 2.259826 131.1183 2.741706 -6.147316 
3.552994 
1 1 1 -3  -18 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -18 16 o 56.76185 4.591344  686.6489       109.4146 0.000000       
0.000000 686.6489       109.4146 ?        ?        56.76185 4.591344 ? ? 
1 1 1 -3  -18 17 o 27.45395 4.483387  188.9312       49.22327 103.2744       
91.92285 223.3671       58.28377 22.55260 7.873586 32.35530 4.290652 -9.802698 
8.966775 
1 1 1 -3  -18 18 o 50.77536 3.404203  559.8181       64.26073 544.3054       
122.7558 565.6738       75.42026 49.98453 5.849619 51.56620 3.483726 -1.581665 
6.808406 
1 1 1 -3  -18 19 o 33.67632 4.822128  308.7056       59.85981 148.9485       
113.2592 370.6282       70.51284 25.78712 8.756967 41.56553 4.040694 -15.77842 
9.644256 
1 1 1 -3  -18 20 o 17.59017 4.909563  46.28881       54.33589 -62.81437      
114.6661 77.88134       61.70332 16.09735 7.391734 19.08300 6.463551 -2.985649 
9.819125 
1 1 1 -3  -18 21 o 86.76657 3.299046  1659.485       110.0043 1610.000       
198.4902 1681.422       132.1563 85.10036 5.555573 88.43279 3.559554 -3.332428 
6.598092 
1 1 1 -3  -18 22 o 35.70762 4.904846  243.4215       60.55708 439.2333       
136.1915 195.1670       67.60820 42.39685 7.944925 29.01839 5.753974 13.37846 
9.809691 
1 1 1 -3  -18 23 o 81.49466 3.859335  1386.257       107.3089 1718.094       
243.5852 1306.347       119.5332 85.45928 6.789109 77.53004 3.672312 7.929237 
7.718670 
1 1 1 -3  -18 24 o 33.31912 5.075561  357.3257       76.61979 55.32493       
145.6685 472.8353       90.08875 20.75397 9.009712 45.88426 4.676575 -25.13029 
10.15112 
1 1 1 -3  -18 25 f 20.43484 6.092035  52.66987       75.70888 193.0342       
160.8080 12.69719       85.81453 25.30111 10.08551 15.56858 6.836228 9.732534 
12.18407 
1 1 1 -3  -17 1  o 40.61337 2.193579  356.4421       36.05484 392.3398       
46.73038 303.6401       56.67500 43.21795 2.575469 38.00879 3.551637 5.209156 
4.387159 
1 1 1 -3  -17 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -17 15 o 112.1899 2.344451  2674.156       103.7762 2604.870       
179.5633 2708.906       127.1640 110.9837 3.853714 113.3960 2.671084 -2.412323 
4.688902 
1 1 1 -3  -17 16 o 45.58971 2.460795  442.0775       43.69395 432.2779       
77.54036 446.6369       52.89079 45.15512 4.090175 46.02431 2.737246 
-0.8691902     4.921590 
1 1 1 -3  -17 17 o 83.26434 2.110284  1477.925       72.49057 1386.245       
111.4866 1545.076       95.41400 80.95195 3.280321 85.57672 2.655691 -4.624771 
4.220569 
1 1 1 -3  -17 18 o 79.14941 3.183959  1399.378       89.47034 1221.958       
177.9722 1459.382       103.4999 75.24342 5.633842 83.05542 2.968199 -7.812004 
6.367918 
1 1 1 -3  -17 19 o 23.57411 5.204597  114.9811       51.88548 146.6878       
101.7390 103.8360       60.31915 25.61265 8.297951 21.53557 6.284531 4.077080 
10.40919 
1 1 1 -3  -17 20 o 42.75871 3.875239  363.0512       64.02149 497.0591       
122.8794 313.1207       75.00613 47.45764 6.167285 38.05977 4.694092 9.397873 
7.750478 
1 1 1 -3  -17 21 o 94.88034 3.439633  1974.861       124.7662 1930.023       
227.6743 1994.105       149.1569 93.35571 5.808903 96.40498 3.685234 -3.049263 
6.879266 
1 1 1 -3  -17 22 o 27.71516 6.038045  175.4447       73.53274 236.5417       
129.2014 146.1733       89.42914 30.63846 9.262065 24.79185 7.748944 5.846607 
12.07609 
1 1 1 -3  -17 23 o 20.97874 5.681646  88.52458       71.53931 1.380576       
135.5016 122.2026       84.23627 19.17894 8.490614 22.77855 7.552078 -3.599606 
11.36329 
1 1 1 -3  -17 24 o 72.43742 4.067084  1192.978       111.6593 1208.354       
207.1567 1186.682       132.5648 71.47340 6.903601 73.40146 4.301744 -1.928062 
8.134169 
1 1 1 -3  -17 25 o 25.82043 6.335808  179.3116       81.40601 170.0789       
147.7779 183.3340       97.53977 25.27862 9.775125 26.36225 8.063298 -1.083628 
12.67162 
1 1 1 -3  -17 26 o 42.85301 9.507450  539.3892       166.5374 539.3892       
166.5374 0.000000       0.000000 42.85301 9.507450 ?        ?        ? ? 
1 1 1 -3  -16 1  o 275.7298 2.281250  15932.15       237.9490 16066.99       
448.0602 15879.18       280.8217 276.4899 3.859919 274.9697 2.432579 1.520172 
4.562501 
1 1 1 -3  -16 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -16 13 o 82.71953 2.198866  1439.862       76.26390 1341.897       
106.7273 1542.074       109.0160 79.83988 3.184026 85.59917 3.033485 -5.759293 
4.397733 
1 1 1 -3  -16 14 o 132.2566 1.974582  3678.664       106.7153 3690.899       
172.0390 3671.013       136.0528 132.3979 3.095045 132.1154 2.452874 0.2825012 
3.949164 
1 1 1 -3  -16 15 o 51.66541 2.189102  530.7509       45.05348 663.4565       
80.34835 469.8912       54.41236 56.08915 3.412080 47.24168 2.743426 8.847469 
4.378205 
1 1 1 -3  -16 16 o 106.1618 2.356745  2419.530       99.93094 2241.362       
166.3082 2520.209       125.0167 102.9539 3.847616 109.3697 2.722652 -6.415733 
4.713490 
1 1 1 -3  -16 17 o 64.99268 2.410110  924.9554       62.73192 768.6628       
100.1412 1025.901       80.47984 60.23305 3.960034 69.75230 2.748208 -9.519253 
4.820220 
1 1 1 -3  -16 18 o 62.78820 2.348444  829.1141       59.13381 851.0323       
100.2295 817.4114       73.23846 63.35001 3.768511 62.22639 2.803404 1.123615 
4.696887 
1 1 1 -3  -16 19 o 124.6745 3.270587  3326.336       170.7385 3311.402       
250.3573 3339.321       233.4496 124.3246 4.796499 125.0245 4.447533 
-0.6998978     6.541173 
1 1 1 -3  -16 20 o 72.02646 3.038505  1112.197       88.53232 1108.788       
145.9237 1114.182       111.3714 71.74135 4.844818 72.31156 3.668486 
-0.5702133     6.077010 
1 1 1 -3  -16 21 o 114.5762 3.723442  2873.516       173.2491 2805.557       
280.9293 2915.225       220.0833 112.9184 5.925887 116.2340 4.509982 -3.315613 
7.446883 
1 1 1 -3  -16 22 o 72.94772 3.272894  1154.890       98.73544 1167.011       
153.6237 1146.358       128.8790 73.05994 5.008411 72.83552 4.214636 0.2244186 
6.545788 
1 1 1 -3  -16 23 o 34.99758 5.367558  310.2328       74.81732 229.1722       
127.0523 353.2639       92.56963 30.15742 9.198353 39.83773 5.534711 -9.680313 
10.73512 
1 1 1 -3  -16 24 o 30.12819 5.773001  170.9933       70.94475 393.5388       
142.5243 97.68800       81.79887 39.30961 8.849452 20.94678 7.416021 18.36283 
11.54600 
1 1 1 -3  -16 25 o 53.67167 7.684731  702.1207       173.1620 702.1207       
173.1620 0.000000       0.000000 53.67167 7.684731 ?        ?        ? ? 
1 1 1 -3  -16 26 o 33.40427 6.295902  291.7280       80.52964 347.5621       
166.0769 274.5647       92.07879 33.62822 10.56965 33.18032 6.843690 0.4478951 
12.59180 
1 1 1 -3  -16 27 o 20.36333 6.054873  85.86363       78.77145 87.15414       
165.4364 85.48528       89.57738 21.41275 9.443091 19.31392 7.581161 2.098829 
12.10975 
1 1 1 -3  -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -15 13 o 189.6616 3.339965  7607.746       259.2688 7544.977       
414.8447 7647.979       332.1224 188.8904 5.231146 190.4329 4.154104 -1.542496 
6.679930 
1 1 1 -3  -15 14 o 221.6466 3.673090  10132.76       330.4611 9447.157       
411.4216 11379.30       554.7574 211.5114 4.633130 231.7819 5.700917 -20.27054 
7.346179 
1 1 1 -3  -15 15 o 161.3404 3.026475  5541.921       192.7772 5358.086       
332.4785 5635.024       236.6103 159.1451 4.976126 163.5357 3.446213 -4.390640 
6.052951 
1 1 1 -3  -15 16 o 140.0775 2.905381  4135.078       170.5856 3832.238       
234.8866 4473.080       248.1482 134.6548 4.154871 145.5003 4.062265 -10.84554 
5.810761 
1 1 1 -3  -15 17 o 104.2410 2.350145  2301.268       101.3805 2245.981       
156.1782 2341.530       133.2770 103.1045 3.607978 105.3775 3.012511 -2.272972 
4.700290 
1 1 1 -3  -15 18 o 94.24209 2.431671  1887.074       95.71558 1726.276       
138.2624 2035.054       132.6373 90.32635 3.645950 98.15782 3.218562 -7.831467 
4.863342 
1 1 1 -3  -15 19 o 76.56719 2.744350  1274.570       81.81696 1159.332       
142.3100 1331.466       99.99516 73.75181 4.596042 79.38258 3.000370 -5.630768 
5.488699 
1 1 1 -3  -15 20 o 42.60272 3.364706  404.4991       57.21238 327.4552       
90.92692 454.9922       73.61033 38.95104 5.560252 46.25440 3.790590 -7.303360 
6.729411 
1 1 1 -3  -15 21 o 15.30767 4.651348  1.698114       53.46870 -56.13457      
96.21532 27.53828       64.31396 14.91881 6.817190 15.69653 6.329776 
-0.7777252     9.302696 
1 1 1 -3  -15 22 o 33.32772 4.896508  277.7558       62.92593 186.6078       
110.3745 321.6476       76.59263 28.11293 8.573133 38.54250 4.733345 -10.42957 
9.793016 
1 1 1 -3  -15 23 o 63.39168 3.258776  824.6772       82.53401 1038.400       
146.1858 724.6769       99.99560 68.85356 5.057082 57.92980 4.111496 10.92376 
6.517551 
1 1 1 -3  -15 24 o 22.92738 6.303670  76.63963       85.48790 187.2838       
147.4302 20.59324       104.9291 27.72880 9.942107 18.12595 7.752388 9.602850 
12.60734 
1 1 1 -3  -15 25 o 55.21399 4.428928  669.8442       102.6660 0.000000       
0.000000 669.8442       102.6660 ?        ?        55.21399 4.428928 ? ? 
1 1 1 -3  -15 26 o 20.54362 6.103790  62.42609       81.20796 78.96597       
157.4264 56.42904       94.79375 22.35153 9.525595 18.73570 7.634661 3.615828 
12.20758 
1 1 1 -3  -15 27 o 25.36367 6.239963  184.8363       87.03676 86.03436       
157.0067 228.6684       104.5759 21.73711 9.393901 28.99024 8.216030 -7.253130 
12.47993 
1 1 1 -3  -14 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -14 11 o 66.72861 2.906304  936.4484       81.42019 936.4484       
81.42019 0.000000       0.000000 66.72861 2.906304 ?        ?        ? ? 
1 1 1 -3  -14 12 o 115.7166 1.956595  2822.171       94.53004 2757.942       
140.4093 2875.417       127.8438 114.4969 2.920943 116.9362 2.604064 -2.439255 
3.913191 
1 1 1 -3  -14 13 o 94.04380 1.964673  1864.571       76.99812 1825.518       
115.4973 1895.813       103.3037 93.14254 2.953554 94.94506 2.591580 -1.802521 
3.929347 
1 1 1 -3  -14 14 o 86.41372 2.337565  1614.969       82.04485 1370.012       
127.5235 1787.974       107.1704 80.63229 3.767058 92.19514 2.768776 -11.56285 
4.675131 
1 1 1 -3  -14 15 o 175.0129 3.406558  6480.841       239.2463 6437.742       
401.7270 6504.528       297.8210 174.3947 5.486796 175.6310 4.039012 -1.236343 
6.813116 
1 1 1 -3  -14 16 o 82.95377 2.282538  1453.773       78.53028 1419.202       
120.0406 1479.638       103.8316 82.06650 3.484041 83.84104 2.949809 -1.774544 
4.565075 
1 1 1 -3  -14 17 o 165.6598 2.948550  5958.373       180.0889 5466.881       
344.2763 6143.520       211.3038 160.5421 5.107862 170.7774 2.947121 -10.23529 
5.897099 
1 1 1 -3  -14 18 o 113.9701 2.348094  2738.181       112.1135 2795.282       
164.7102 2688.886       153.0375 115.0586 3.409750 112.8816 3.229208 2.177032 
4.696187 
1 1 1 -3  -14 19 o 37.75500 3.651395  342.1691       49.72844 217.7178       
82.22671 413.9357       62.44167 31.25566 6.483512 44.25434 3.360777 -12.99868 
7.302791 
1 1 1 -3  -14 20 o 17.57576 4.579462  52.69917       46.29889 5.837919       
76.76021 79.49655       58.04641 15.75151 6.679995 19.40001 6.266063 -3.648497 
9.158923 
1 1 1 -3  -14 21 o 21.44392 4.823552  98.75705       46.97111 97.72337       
82.52693 99.25237       57.12676 21.76291 7.473474 21.12492 6.100312 0.6379948 
9.647103 
1 1 1 -3  -14 22 o 33.27131 4.955808  294.1816       66.30595 125.7668       
114.6480 378.8249       81.27790 24.58566 8.772113 41.95696 4.614127 -17.37130 
9.911616 
1 1 1 -3  -14 23 o 113.2090 4.010805  2790.912       153.8895 2856.598       
338.3611 2773.781       172.7951 112.5416 7.161244 113.8764 3.614252 -1.334862 
8.021610 
1 1 1 -3  -14 24 o 21.24690 9.083219  35.61030       143.9361 0.000000       
0.000000 35.61030       143.9361 ?        ?        21.24690 9.083219 ? ? 
1 1 1 -3  -14 25 o 21.07091 6.011145  69.94751       70.94205 90.18761       
151.9160 64.30273       80.22698 23.36376 9.616660 18.77805 7.214937 4.585709 
12.02229 
1 1 1 -3  -14 26 o 23.91397 6.258181  131.4329       78.78847 124.3815       
148.4357 134.1989       92.96551 24.23545 9.680657 23.59250 7.933737 0.6429424 
12.51636 
1 1 1 -3  -14 27 o 23.48928 6.520051  120.6654       84.36192 148.5991       
172.1798 111.8410       96.77389 25.12190 10.27188 21.85666 8.033232 3.265238 
13.04010 
1 1 1 -3  -14 28 o 24.56071 6.665847  154.1229       89.38937 230.4759       
166.5437 123.2262       105.9426 27.12207 10.40269 21.99935 8.337750 5.122725 
13.33169 
1 1 1 -3  -13 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -13 10 o 169.4499 2.480175  5973.588       174.6515 5613.452       
228.5396 6479.188       270.7896 163.3917 3.331598 175.5080 3.674988 -12.11638 
4.960351 
1 1 1 -3  -13 11 o 265.2143 4.348863  14864.15       463.9838 14874.66       
776.2717 14858.31       578.7399 265.0284 6.976579 265.4002 5.194016 
-0.3718567     8.697726 
1 1 1 -3  -13 12 o 93.49632 1.851829  1826.314       70.67364 1886.011       
115.0560 1790.141       89.56140 94.70023 2.893872 92.29241 2.311404 2.407814 
3.703658 
1 1 1 -3  -13 13 o 48.23444 2.254880  476.0417       42.76261 528.1282       
76.82479 452.6590       51.47384 50.07347 3.654389 46.39542 2.642607 3.678051 
4.509759 
1 1 1 -3  -13 14 o 111.5473 2.174966  2532.433       98.02178 2324.009       
120.9518 2931.273       167.3158 105.1105 2.740863 117.9840 3.377808 -12.87351 
4.349933 
1 1 1 -3  -13 15 o 190.5588 3.257456  7714.071       256.6299 7373.035       
394.2429 7964.833       338.0596 186.7777 5.027589 194.3399 4.143358 -7.562149 
6.514911 
1 1 1 -3  -13 16 o 74.32459 2.394497  1173.749       70.09179 1132.834       
121.4442 1194.185       85.82984 73.30222 3.946216 75.34697 2.713274 -2.044754 
4.788995 
1 1 1 -3  -13 17 o 92.58974 2.429382  1818.993       91.39558 1755.190       
147.9731 1858.347       116.2123 91.22153 3.863728 93.95795 2.946048 -2.736420 
4.858764 
1 1 1 -3  -13 18 f 79.78271 2.325380  1315.776       76.33717 1471.241       
123.2406 1218.995       97.23695 83.50624 3.515249 76.05920 3.045094 7.447044 
4.650761 
1 1 1 -3  -13 19 o 174.6753 2.602049  6360.240       185.5485 6085.059       
234.0789 6825.458       304.3554 169.7860 3.283837 179.5647 4.037208 -9.778748 
5.204098 
1 1 1 -3  -13 20 o 30.26011 4.019156  179.1911       47.78307 273.3064       
85.72115 136.7645       57.55418 35.72058 5.715978 24.79964 5.651731 10.92094 
8.038313 
1 1 1 -3  -13 21 o 76.01952 2.392356  1216.472       74.90080 1260.965       
118.9398 1187.232       96.42122 77.10500 3.674224 74.93402 3.064888 2.170982 
4.784711 
1 1 1 -3  -13 22 o 23.59246 5.137890  118.1511       53.77653 146.8223       
91.91396 103.2284       66.31060 25.54721 7.830029 21.63772 6.654494 3.909489 
10.27578 
1 1 1 -3  -13 23 o 85.98763 6.396636  1630.094       230.9226 1630.094       
230.9226 0.000000       0.000000 85.98763 6.396636 ?        ?        ? ? 
1 1 1 -3  -13 24 o 41.73534 4.941445  370.2622       76.13275 464.9964       
148.2879 336.3528       88.71809 44.29481 8.281051 39.17587 5.394046 5.118946 
9.882891 
1 1 1 -3  -13 25 o 70.74587 3.962615  1114.618       104.1913 1100.210       
198.8422 1120.071       122.3298 69.51305 6.813392 71.97870 4.048084 -2.465652 
7.925231 
1 1 1 -3  -13 26 o 19.72828 5.884693  31.06052       72.43553 99.19965       
148.4903 9.782706       82.97807 23.49804 9.562051 15.95852 6.861896 7.539522 
11.76939 
1 1 1 -3  -13 27 o 60.87177 4.321980  753.2487       97.08673 1081.799       
202.6188 655.3352       110.6114 67.48969 7.150944 54.25384 4.856134 13.23584 
8.643960 
1 1 1 -3  -13 28 o 56.56628 4.687158  752.7129       104.8772 801.0081       
182.3044 728.8229       128.2191 56.75887 7.650404 56.37368 5.417483 0.3851929 
9.374316 
1 1 1 -3  -13 29 o 20.77585 6.357370  62.82342       91.55176 164.9318       
175.1135 24.41549       107.3988 24.24545 10.17601 17.30625 7.623222 6.939201 
12.71474 
1 1 1 -3  -12 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -12 9  o 109.9965 1.867173  2540.796       86.19727 2572.384       
123.8219 2511.094       120.0675 110.6589 2.665215 109.3341 2.615716 1.324783 
3.734346 
1 1 1 -3  -12 10 o 229.6268 3.598636  10772.45       313.7742 11879.43       
599.3597 10354.52       368.2726 237.3680 6.014318 221.8857 3.953314 15.48238 
7.197272 
1 1 1 -3  -12 11 o 130.8909 2.513460  3420.488       109.9047 3909.665       
255.4189 3309.337       121.7524 136.2726 4.464425 125.5091 2.310593 10.76350 
5.026920 
1 1 1 -3  -12 12 o 252.1435 3.555755  13406.50       376.3726 13402.65       
528.6406 13410.46       535.9776 252.1145 4.994404 252.1724 5.062559 
-0.5789185E-01 7.111510 
1 1 1 -3  -12 13 o 146.1469 2.856384  4501.090       157.0679 4496.126       
297.5533 4503.008       184.9318 145.9757 4.855179 146.3180 3.010473 
-0.3423157     5.712768 
1 1 1 -3  -12 14 o 160.9747 2.935492  5518.209       172.9738 5351.220       
339.4881 5576.761       201.0242 159.1373 5.081285 162.8121 2.940917 -3.674728 
5.870984 
1 1 1 -3  -12 15 o 141.2438 2.964877  4283.832       163.4824 3997.272       
285.3282 4423.881       199.4706 137.5316 4.941551 144.9559 3.277660 -7.424316 
5.929753 
1 1 1 -3  -12 16 o 48.96201 2.604372  505.3818       52.47480 503.4803       
82.77287 506.6596       67.85258 48.86714 4.034523 49.05687 3.294486 
-0.1897316     5.208744 
1 1 1 -3  -12 17 f 58.82055 2.568783  712.7689       59.52378 775.5272       
106.0864 683.9333       71.90980 60.63374 4.167410 57.00736 3.004541 3.626377 
5.137566 
1 1 1 -3  -12 18 o 71.29522 2.564813  1106.950       73.85002 915.3780       
115.3475 1240.025       96.13691 65.84538 4.172574 76.74506 2.983739 -10.89967 
5.129626 
1 1 1 -3  -12 19 o 87.54213 2.537699  1593.648       89.89208 1705.911       
150.7205 1531.667       111.9905 89.84232 3.995880 85.24194 3.129314 4.600380 
5.075398 
1 1 1 -3  -12 20 o 102.3105 2.643428  2217.912       112.4668 2182.335       
170.4762 2245.328       149.6543 101.5278 3.999446 103.0933 3.457642 -1.565460 
5.286857 
1 1 1 -3  -12 21 o 55.12652 2.777983  623.2307       61.11887 711.6714       
107.0301 580.4360       74.45172 57.86318 4.405799 52.38986 3.384921 5.473320 
5.555966 
1 1 1 -3  -12 22 f 19.30384 5.169690  63.38292       56.73513 -2.250270      
110.1877 87.06082       66.18247 18.25877 7.879886 20.34891 6.694041 -2.090147 
10.33938 
1 1 1 -3  -12 23 o 43.79027 4.680146  411.6296       86.04307 0.000000       
0.000000 411.6296       86.04307 ?        ?        43.79027 4.680146 ? ? 
1 1 1 -3  -12 24 o 69.19568 3.536809  1025.758       97.81594 1076.528       
167.5248 999.4963       120.4877 70.16315 5.687104 68.22822 4.206296 1.934929 
7.073618 
1 1 1 -3  -12 25 o 20.81804 5.927710  65.76707       71.87779 49.87656       
146.2926 70.82383       82.52576 22.05532 9.280928 19.58075 7.376677 2.474567 
11.85542 
1 1 1 -3  -12 26 o 59.09006 4.484572  801.0143       94.40630 762.3694       
189.0027 813.8614       108.9745 56.95757 7.903831 61.22255 4.239694 -4.264977 
8.969145 
1 1 1 -3  -12 27 o 23.49386 5.827813  130.4231       81.03374 -65.24846      
163.9965 193.6289       93.20712 18.95555 8.757978 28.03217 7.690996 -9.076618 
11.65563 
1 1 1 -3  -12 28 o 24.74752 5.925316  154.4302       89.92686 -93.08413      
174.9975 243.2434       104.8263 18.59246 8.730075 30.90259 8.013942 -12.31013 
11.85063 
1 1 1 -3  -12 29 o 56.55662 5.544930  803.1093       111.6719 826.2720       
214.1952 794.4633       130.8646 54.35559 9.738727 58.75764 5.304922 -4.402050 
11.08986 
1 1 1 -3  -12 30 o 44.19259 6.610336  605.6949       113.6277 468.5254       
200.0266 671.0481       138.0677 36.08567 11.62956 52.29951 6.288044 -16.21383 
13.22067 
1 1 1 -3  -11 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -11 9  o 184.2579 3.153995  6959.997       226.3507 7615.471       
412.8172 6678.222       270.6648 190.2518 5.168327 178.2639 3.616508 11.98793 
6.307990 
1 1 1 -3  -11 10 o 290.8300 2.972781  17567.10       344.4445 17110.51       
422.1554 18476.41       595.7531 285.3230 3.524168 296.3369 4.788523 -11.01395 
5.945563 
1 1 1 -3  -11 11 o 113.4386 1.632991  2700.510       77.63864 2744.219       
113.5574 2662.146       106.3881 114.2979 2.366455 112.5794 2.250896 1.718536 
3.265983 
1 1 1 -3  -11 12 o 155.0336 2.415147  5063.834       154.9896 5113.526       
203.4239 4995.069       239.2962 155.9650 3.106675 154.1022 3.698690 1.862778 
4.830294 
1 1 1 -3  -11 13 o 234.4579 4.221418  11426.31       374.1788 12046.55       
712.3369 11189.95       439.7306 238.4649 7.115117 230.4510 4.544951 8.013916 
8.442836 
1 1 1 -3  -11 14 o 70.90051 2.248933  1052.337       64.41939 1076.778       
107.3508 1038.582       80.53049 71.51984 3.575197 70.28119 2.729244 1.238647 
4.497867 
1 1 1 -3  -11 15 o 69.29368 2.297237  971.6644       61.12570 1107.116       
115.3343 918.7570       72.08170 72.48804 3.789774 66.09932 2.597462 6.388718 
4.594474 
1 1 1 -3  -11 16 o 186.4600 3.536480  7252.413       260.9035 7635.036       
457.5434 7068.054       317.5989 189.8543 5.740278 183.0658 4.132310 6.788513 
7.072961 
1 1 1 -3  -11 17 o 63.55007 2.417319  836.4225       61.59595 897.1368       
105.5211 805.0419       75.86204 65.24358 3.852321 61.85656 2.921190 3.387020 
4.834638 
1 1 1 -3  -11 18 o 118.2206 2.574707  2944.820       127.7830 2930.134       
179.5455 2959.894       181.9025 117.9237 3.626557 118.5175 3.655757 
-0.5937424     5.149415 
1 1 1 -3  -11 19 o 23.37821 4.721866  126.4954       49.07529 67.79932       
89.08405 152.0695       58.80241 20.46693 7.673298 26.28949 5.504959 -5.822559 
9.443732 
1 1 1 -3  -11 20 o 230.8113 4.190773  11357.96       406.0506 11276.55       
569.1758 11442.33       579.4465 229.9885 5.894697 231.6342 5.958429 -1.645721 
8.381547 
1 1 1 -3  -11 21 o 78.99834 2.606778  1334.943       85.41289 1132.802       
123.3547 1521.119       118.3828 73.13223 4.017611 84.86446 3.322644 -11.73223 
5.213556 
1 1 1 -3  -11 22 o 37.52903 7.965576  319.1660       121.7075 319.1660       
121.7075 0.000000       0.000000 37.52903 7.965576 ?        ?        ? ? 
1 1 1 -3  -11 23 o 81.74547 3.240008  1433.464       105.3074 1410.655       
179.6511 1445.404       129.9798 81.00974 5.282187 82.48120 3.753547 -1.471458 
6.480017 
1 1 1 -3  -11 24 o 44.72222 4.404400  415.1635       74.66006 492.0103       
144.6243 387.2433       87.17416 47.04854 7.321769 42.39590 4.897618 4.652641 
8.808801 
1 1 1 -3  -11 25 o 95.52206 3.758465  2037.050       127.9678 1893.651       
256.3936 2084.622       147.6766 92.24649 6.620310 98.79764 3.560297 -6.551147 
7.516929 
1 1 1 -3  -11 26 o 86.85625 3.532888  1618.174       118.0696 1730.897       
217.9850 1571.373       140.4571 88.28330 5.881243 85.42920 3.916141 2.854103 
7.065775 
1 1 1 -3  -11 27 o 39.54085 6.061655  375.4917       86.32491 396.5246       
177.7955 369.0041       98.74501 38.50659 10.64770 40.57511 5.796642 -2.068523 
12.12331 
1 1 1 -3  -11 28 o 58.00669 4.497006  718.7341       90.97369 883.1411       
199.5522 675.5998       102.2134 60.54765 7.850191 55.46574 4.389391 5.081905 
8.994012 
1 1 1 -3  -11 29 o 20.91715 6.093865  77.09245       86.70816 -4.212373      
159.3483 111.2923       103.3479 19.79589 8.957752 22.03842 8.264347 -2.242529 
12.18773 
1 1 1 -3  -11 30 o 25.96933 5.865853  197.5273       96.41614 -125.8651      
190.2187 309.3386       111.8487 17.90770 8.616327 34.03096 7.961898 -16.12325 
11.73171 
1 1 1 -3  -10 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -10 8  o 248.3315 2.725343  12976.61       283.7115 13434.58       
395.2996 12490.09       407.4329 252.8647 3.723567 243.7983 3.980580 9.066406 
5.450685 
1 1 1 -3  -10 9  f 69.72382 1.979076  1046.946       56.36252 878.2612       
85.86726 1174.641       74.70968 64.65870 3.163164 74.78893 2.379363 -10.13023 
3.958153 
1 1 1 -3  -10 10 o 197.0804 3.095028  8106.329       212.3579 8274.782       
454.3328 8059.239       240.2123 198.2920 5.457453 195.8688 2.921131 2.423187 
6.190056 
1 1 1 -3  -10 11 o 141.2132 2.440232  4290.993       131.5789 3946.863       
238.0715 4442.343       157.8841 137.0025 4.139044 145.4239 2.585970 -8.421463 
4.880464 
1 1 1 -3  -10 12 o 349.8947 5.459407  25898.17       791.8353 25805.80       
1219.242 25965.55       1041.333 349.1527 8.317553 350.6366 7.073811 -1.483887 
10.91881 
1 1 1 -3  -10 13 o 213.4047 3.894938  9684.278       319.0694 9401.963       
580.1678 9806.693       382.0318 210.9560 6.550627 215.8534 4.215622 -4.897400 
7.789877 
1 1 1 -3  -10 14 o 49.06649 2.364698  523.8148       46.61713 437.1088       
74.02803 580.7928       60.01020 45.56892 3.869443 52.56406 2.719301 -6.995136 
4.729396 
1 1 1 -3  -10 15 o 48.45721 2.514812  507.4465       48.17196 453.4059       
81.05682 536.9556       59.89716 46.38402 4.162385 50.53041 2.823413 -4.146397 
5.029624 
1 1 1 -3  -10 16 o 231.0554 3.561588  11344.22       324.9872 11469.38       
398.4086 11095.33       561.8179 233.2376 4.068658 228.8731 5.846849 4.364517 
7.123176 
1 1 1 -3  -10 17 o 50.01689 2.656632  498.3218       53.12944 622.3586       
93.92432 439.9585       64.42767 54.32370 4.118222 45.71007 3.357234 8.613632 
5.313263 
1 1 1 -3  -10 18 o 144.8892 2.740016  4414.478       166.2014 4554.399       
245.9621 4296.907       225.4620 146.9801 3.985940 142.7984 3.760722 4.181747 
5.480032 
1 1 1 -3  -10 19 o 73.35028 2.386852  1134.717       72.83855 1121.797       
110.3601 1144.689       96.95536 72.96271 3.602734 73.73786 3.131860 
-0.7751541     4.773703 
1 1 1 -3  -10 20 o 111.0766 2.742419  2530.618       118.6058 2801.050       
216.8968 2415.256       141.6622 115.0853 4.489049 107.0679 3.151489 8.017471 
5.484838 
1 1 1 -3  -10 21 o 92.36449 2.974644  1845.153       102.7954 1718.074       
192.7564 1895.657       121.5174 89.91069 5.106443 94.81829 3.052582 -4.907600 
5.949287 
1 1 1 -3  -10 22 o 126.6517 6.348459  3446.752       337.5656 0.000000       
0.000000 3446.752       337.5656 ?        ?        126.6517 6.348459 ? ? 
1 1 1 -3  -10 23 o 32.27989 4.958739  243.4700       62.06495 194.3439       
111.3694 265.6000       74.74837 29.31366 8.534621 35.24612 5.051397 -5.932459 
9.917479 
1 1 1 -3  -10 24 o 57.98673 3.656024  753.5218       83.43239 624.0450       
137.6667 828.6840       104.8897 53.60401 6.117201 62.36945 4.005734 -8.765442 
7.312049 
1 1 1 -3  -10 25 o 35.41639 5.465574  290.8065       73.30894 275.2238       
138.4369 296.8791       86.42068 33.89618 9.403865 36.93659 5.572909 -3.040413 
10.93115 
1 1 1 -3  -10 26 o 38.95748 5.337245  344.8290       74.03733 362.5733       
149.8480 339.0983       85.15767 38.47974 9.353553 39.43523 5.143520 
-0.9554939     10.67449 
1 1 1 -3  -10 27 o 18.64026 5.621688  -58.12302      69.31222 147.0165       
147.2703 -116.4923      78.55661 26.04044 9.841810 11.24009 5.436199 14.80035 
11.24338 
1 1 1 -3  -10 28 o 73.44713 4.207949  1253.276       115.4285 1128.296       
212.2160 1305.786       137.5562 69.49183 7.273869 77.40243 4.232985 -7.910599 
8.415898 
1 1 1 -3  -10 29 o 44.13282 5.937646  487.7199       87.96114 482.7163       
188.5343 489.1121       99.44802 41.49565 10.74113 46.76999 5.064656 -5.274342 
11.87529 
1 1 1 -3  -10 30 o 27.38776 6.709958  152.5216       81.47237 350.2471       
176.4864 98.97330       91.84438 33.92440 10.92291 20.85111 7.796421 13.07330 
13.41992 
1 1 1 -3  -10 31 o 40.02982 6.752668  457.3830       98.82789 506.0237       
212.6254 443.9790       111.6174 37.34303 11.98576 42.71662 6.223806 -5.373592 
13.50534 
1 1 1 -3  -9  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -9  7  o 436.4702 6.838431  40201.09       1252.685 40443.47       
1797.530 39972.23       1746.691 437.7221 9.781349 435.2184 9.559382 2.503723 
13.67686 
1 1 1 -3  -9  8  o 242.1781 2.931468  12304.51       274.1612 12376.22       
498.0239 12273.33       328.4011 242.6337 4.889000 241.7225 3.236000 0.9111786 
5.862936 
1 1 1 -3  -9  9  o 160.9417 4.254533  5443.834       287.4746 5443.834       
287.4746 0.000000       0.000000 160.9417 4.254533 ?        ?        ? ? 
1 1 1 -3  -9  10 o 307.9819 4.832614  20031.62       609.5560 20218.77       
782.4535 19742.69       972.2026 309.9364 6.013219 306.0275 7.566890 3.908905 
9.665228 
1 1 1 -3  -9  11 o 212.7856 3.664370  9523.840       325.1514 9503.651       
435.1030 9549.376       489.3251 212.5583 4.875678 213.0128 5.471581 
-0.4544830     7.328740 
1 1 1 -3  -9  12 o 314.6885 4.490219  20558.03       407.9670 20440.33       
438.6272 21312.68       1110.697 311.8676 3.350013 317.5095 8.332207 -5.641907 
8.980437 
1 1 1 -3  -9  13 o 206.2598 4.098396  8951.385       354.5515 8461.180       
490.1055 9489.587       513.5382 200.3420 5.826915 212.1776 5.764934 -11.83563 
8.196792 
1 1 1 -3  -9  14 o 282.4786 4.616317  16985.28       530.3369 17386.02       
675.7561 16342.65       855.7373 287.0918 5.606479 277.8653 7.335457 9.226532 
9.232635 
1 1 1 -3  -9  15 o 101.3891 2.264957  2168.650       96.10860 2048.025       
138.9288 2279.357       133.0950 98.66750 3.353817 104.1106 3.045003 -5.443108 
4.529915 
1 1 1 -3  -9  16 o 188.2986 3.639845  7513.071       283.4307 7347.419       
437.9089 7632.491       371.8152 186.4007 5.595738 190.1966 4.656350 -3.795898 
7.279690 
1 1 1 -3  -9  17 o 139.4088 2.685412  4087.565       156.4334 4175.677       
233.9104 4016.268       210.4113 140.7420 3.958648 138.0757 3.629719 2.666336 
5.370825 
1 1 1 -3  -9  18 o 190.6709 3.874646  7648.356       291.1860 7825.951       
511.0258 7562.973       354.3362 192.0400 6.338292 189.3018 4.458429 2.738235 
7.749292 
1 1 1 -3  -9  19 o 172.8246 3.483968  6308.857       250.6678 6332.536       
380.1677 6290.646       333.4118 173.0383 5.233041 172.6109 4.600805 0.4273682 
6.967936 
1 1 1 -3  -9  20 o 59.70926 2.700433  761.2932       66.77130 675.2505       
99.28635 832.3409       90.22103 56.56334 4.180956 62.85518 3.418911 -6.291843 
5.400865 
1 1 1 -3  -9  21 o 99.52172 4.209461  2093.813       175.8828 2093.813       
175.8828 0.000000       0.000000 99.52172 4.209461 ?        ?        ? ? 
1 1 1 -3  -9  22 o 75.50884 2.948296  1202.392       89.18129 1224.527       
151.2178 1190.587       110.4299 75.94186 4.742887 75.07583 3.503544 0.8660278 
5.896592 
1 1 1 -3  -9  23 o 50.86278 3.732240  585.8769       73.06886 458.3215       
123.4891 654.5944       90.63856 46.14462 6.374245 55.58094 3.884259 -9.436314 
7.464480 
1 1 1 -3  -9  24 o 84.21349 3.030596  1515.064       102.9117 1491.604       
170.4238 1528.528       129.1089 83.52862 4.859775 84.89837 3.622244 -1.369751 
6.061193 
1 1 1 -3  -9  25 o 18.48392 5.180796  35.41963       66.05810 -143.5521      
132.9932 94.03582       76.11076 15.76725 7.471963 21.20059 7.178603 -5.433332 
10.36159 
1 1 1 -3  -9  26 o 39.19426 5.528465  363.5996       78.43267 329.8363       
152.8598 375.6652       91.37848 36.80197 9.739798 41.58655 5.233739 -4.784576 
11.05693 
1 1 1 -3  -9  27 o 54.51493 3.875786  635.0631       78.95702 694.7618       
153.6237 613.6318       92.04468 55.66763 6.573195 53.36222 4.108524 2.305412 
7.751572 
1 1 1 -3  -9  28 o 53.08491 4.149867  578.2803       87.01606 794.9318       
159.4777 486.4371       103.8347 59.25922 6.410103 46.91060 5.272206 12.34862 
8.299734 
1 1 1 -3  -9  29 o 53.94412 5.388186  696.8175       93.63260 686.7313       
204.3453 699.4979       105.3419 51.41764 9.817731 56.47060 4.443239 -5.052959 
10.77637 
1 1 1 -3  -9  30 o 23.33735 6.057343  133.2947       80.93487 -10.03578      
173.9190 172.9143       91.43925 20.46876 9.298331 26.20595 7.765734 -5.737188 
12.11469 
1 1 1 -3  -9  31 o 37.09011 6.784678  378.4638       99.33710 438.7680       
186.2711 354.4971       117.4294 37.26266 11.09231 36.91755 7.815887 0.3451080 
13.56936 
1 1 1 -3  -9  32 o 23.78122 6.644231  163.7415       97.86058 75.81429       
210.8101 187.8938       110.4865 22.07373 10.08841 25.48871 8.649113 -3.414980 
13.28846 
1 1 1 -3  -8  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  6  o 230.7936 1.825115  10976.81       159.1479 10718.00       
186.7685 11662.91       304.0902 225.9368 1.968964 235.6505 3.073656 -9.713669 
3.650230 
1 1 1 -3  -8  7  o 261.1205 2.437872  14306.28       253.7177 14373.88       
433.7778 14271.12       312.8055 261.5620 3.950152 260.6790 2.858179 0.8829651 
4.875745 
1 1 1 -3  -8  8  o 387.4670 3.896003  31627.37       632.4998 32766.70       
877.6744 30396.34       912.3103 394.7658 5.295598 380.1682 5.715942 14.59766 
7.792006 
1 1 1 -3  -8  9  o 231.3806 2.928777  11050.06       228.3410 11587.57       
514.2335 10918.05       254.8430 234.7515 5.217627 228.0097 2.662199 6.741806 
5.857553 
1 1 1 -3  -8  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -8  11 o 73.06819 1.835045  1123.705       56.14320 1034.333       
79.68784 1211.791       79.11223 70.17566 2.704747 75.96072 2.480708 -5.785057 
3.670091 
1 1 1 -3  -8  12 o 197.9575 3.004807  8087.748       227.4892 7881.204       
269.0826 8605.265       425.9345 193.6702 3.309360 202.2449 5.016333 -8.574738 
6.009614 
1 1 1 -3  -8  13 o 188.1999 3.338912  7398.729       260.5083 7783.030       
405.8904 7129.532       339.7097 192.2959 5.027590 184.1038 4.395074 8.192108 
6.677824 
1 1 1 -3  -8  14 o 145.5183 2.333116  4455.950       140.6635 4479.692       
184.8272 4423.269       216.8430 145.9964 3.015399 145.0401 3.561051 0.9562683 
4.666231 
1 1 1 -3  -8  15 o 176.4480 2.818017  6645.942       201.4915 6939.546       
256.8531 6176.183       324.8936 181.6521 3.367948 171.2439 4.519050 10.40829 
5.636034 
1 1 1 -3  -8  16 o 292.8010 4.891094  18186.93       580.2027 18231.71       
731.1246 18110.75       953.5411 293.6610 5.930157 291.9410 7.779746 1.720001 
9.782188 
1 1 1 -3  -8  17 o 123.1720 2.405029  3194.171       122.3447 3191.663       
190.9659 3195.917       159.3399 123.0994 3.695054 123.2445 3.079485 
-0.1450119     4.810057 
1 1 1 -3  -8  18 o 95.79330 1.980304  1933.536       79.51108 2011.277       
110.8700 1851.213       114.0905 97.78623 2.700582 93.80038 2.897115 3.985855 
3.960608 
1 1 1 -3  -8  19 o 161.6576 2.408549  5495.024       161.4915 5553.806       
249.0609 5452.383       212.1264 162.3645 3.653722 160.9507 3.139228 1.413834 
4.817098 
1 1 1 -3  -8  20 o 59.81865 2.451097  757.3657       61.09902 651.4014       
86.40365 863.3467       86.41048 55.59899 3.701572 64.03831 3.214013 -8.439316 
4.902195 
1 1 1 -3  -8  21 o 184.2617 8.179660  7286.069       632.7748 0.000000       
0.000000 7286.069       632.7748 ?        ?        184.2617 8.179660 ? ? 
1 1 1 -3  -8  22 o 39.15312 4.541995  263.1599       65.96445 565.7713       
130.6747 159.6786       76.41522 51.50858 6.042728 26.79766 6.782648 24.71092 
9.083990 
1 1 1 -3  -8  23 o 130.4368 3.720082  3533.095       179.2873 3823.663       
355.7469 3434.167       207.5760 133.4947 6.347434 127.3788 3.881512 6.115852 
7.440165 
1 1 1 -3  -8  24 o 27.06788 5.518923  171.4243       65.30711 112.6408       
120.4029 195.9274       77.73572 24.54667 8.966420 29.58909 6.437187 -5.042427 
11.03785 
1 1 1 -3  -8  25 o 50.65105 4.055266  543.0134       75.27579 576.0463       
150.2175 531.9369       86.98557 51.32898 6.970739 49.97312 4.146024 1.355858 
8.110532 
1 1 1 -3  -8  26 o 35.85474 5.339769  275.3086       72.19592 352.9413       
135.4774 244.5183       85.32000 38.81279 8.544778 32.89668 6.406193 5.916107 
10.67954 
1 1 1 -3  -8  27 o 23.55950 6.044258  82.18164       72.91191 202.7658       
137.8839 35.37590       85.90491 29.30718 9.662148 17.81182 7.264647 11.49536 
12.08852 
1 1 1 -3  -8  28 o 14.76033 4.863451  -79.60915      74.11338 -240.8491      
140.7380 -17.73727      87.18095 14.22341 6.968271 15.29726 6.786443 -1.073844 
9.726901 
1 1 1 -3  -8  29 o 33.01460 5.703011  302.5772       80.12769 145.5023       
153.2788 361.6434       93.99350 25.77718 9.957986 40.25203 5.562002 -14.47484 
11.40602 
1 1 1 -3  -8  30 o 43.67831 5.899360  482.0150       87.83653 454.5655       
183.3963 490.1859       100.0592 40.49087 10.64654 46.86576 5.085368 -6.374897 
11.79872 
1 1 1 -3  -8  31 f 54.64661 4.799105  573.5469       95.28546 1043.095       
209.7066 451.3842       106.9649 65.04234 7.679570 44.25087 5.757588 20.79147 
9.598209 
1 1 1 -3  -8  32 o 19.58875 6.182902  36.54915       88.45773 88.58257       
186.6888 21.48514       100.4495 22.27369 9.900094 16.90381 7.409537 5.369883 
12.36580 
1 1 1 -3  -7  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -7  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -7  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -7  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -7  5  o 242.3394 2.130001  12333.31       216.6338 12786.76       
307.9915 11889.30       304.7669 246.7492 2.973062 237.9296 3.050987 8.819656 
4.260003 
1 1 1 -3  -7  6  o 312.1750 3.226961  20626.58       404.4957 20996.57       
505.6440 19969.01       674.1017 316.1428 3.809628 308.2072 5.209592 7.935608 
6.453923 
1 1 1 -3  -7  7  o 66.99133 1.756593  945.0253       48.95818 921.9035       
73.91238 963.1005       65.35018 66.25758 2.657068 67.72507 2.298362 -1.467491 
3.513186 
1 1 1 -3  -7  8  f 478.3468 5.609359  48264.31       999.5867 48339.53       
1170.187 48061.28       1922.553 479.4232 5.813764 477.2704 9.594778 2.152771 
11.21872 
1 1 1 -3  -7  9  o 98.84010 1.691022  2041.333       69.43729 2119.292       
107.0476 1984.704       91.23523 100.4592 2.538098 97.22105 2.235236 3.238113 
3.382044 
1 1 1 -3  -7  10 o 238.6713 3.073252  11872.68       246.5707 11807.11       
275.3967 12137.64       553.5869 237.1069 2.766531 240.2357 5.488699 -3.128738 
6.146504 
1 1 1 -3  -7  11 o 145.3466 2.368176  4406.536       134.3117 4353.814       
161.8741 4523.037       240.6301 143.9810 2.677894 146.7123 3.906651 -2.731293 
4.736352 
1 1 1 -3  -7  12 o 237.1301 5.337898  11829.85       531.4176 11829.85       
531.4176 0.000000       0.000000 237.1301 5.337898 ?        ?        ? ? 
1 1 1 -3  -7  13 o 212.0941 3.103769  9451.257       276.2235 9036.701       
384.7923 9892.002       396.7607 207.2971 4.421342 216.8910 4.357207 -9.593903 
6.207537 
1 1 1 -3  -7  14 o 174.5629 2.886049  6446.402       208.9756 6679.780       
277.9073 6142.728       317.0106 178.2479 3.713612 170.8779 4.418846 7.369965 
5.772098 
1 1 1 -3  -7  15 o 82.96924 2.063181  1440.610       71.52407 1387.910       
95.85205 1506.819       107.4370 81.26797 2.809332 84.67049 3.022337 -3.402519 
4.126362 
1 1 1 -3  -7  16 o 160.1135 2.800557  5396.331       188.2488 5335.762       
266.1313 5456.983       266.3168 159.2120 3.981449 161.0150 3.939611 -1.803024 
5.601113 
1 1 1 -3  -7  17 o 223.0068 3.968007  10485.37       368.8098 10716.90       
558.8179 10306.69       490.9077 225.0994 5.913125 220.9142 5.292945 4.185257 
7.936013 
1 1 1 -3  -7  18 o 79.59229 2.066076  1327.781       68.55462 1292.899       
91.15778 1373.193       104.0104 78.40235 2.769400 80.78221 3.066775 -2.379860 
4.132153 
1 1 1 -3  -7  19 o 55.58319 2.402829  651.1912       56.02000 626.4902       
79.82806 675.1589       78.63393 54.53907 3.486333 56.62731 3.307540 -2.088238 
4.805657 
1 1 1 -3  -7  20 f 231.7079 4.698481  11474.42       444.4184 11718.67       
569.4140 11093.75       710.8694 235.2194 5.766020 228.1965 7.419966 7.022858 
9.396961 
1 1 1 -3  -7  21 o 69.33350 2.207939  1010.906       64.13996 995.8272       
87.66888 1028.272       94.08592 68.78318 3.035878 69.88382 3.206779 -1.100639 
4.415879 
1 1 1 -3  -7  22 o 124.2578 2.427683  3232.323       125.8951 3457.896       
190.8956 3058.697       167.4790 128.0486 3.550931 120.4670 3.311414 7.581612 
4.855365 
1 1 1 -3  -7  23 o 29.61166 4.364298  193.0712       52.37103 209.6315       
77.73904 179.3101       70.86497 30.78532 6.232395 28.43800 6.111107 2.347319 
8.728596 
1 1 1 -3  -7  24 o 61.89620 2.424234  809.0469       62.86631 739.3416       
87.48939 883.4584       90.39455 59.13025 3.524250 64.66216 3.329762 -5.531902 
4.848469 
1 1 1 -3  -7  25 o 35.60783 3.524607  268.2060       52.37381 232.6174       
70.39249 312.3362       78.38615 32.97641 5.084451 38.23924 4.882600 -5.262829 
7.049214 
1 1 1 -3  -7  26 o 56.35005 3.752650  655.5490       81.41757 757.8166       
153.0018 615.1506       96.16328 59.02758 6.173943 53.67252 4.267548 5.355068 
7.505301 
1 1 1 -3  -7  27 o 40.43728 5.318637  389.7920       78.88706 331.6366       
145.3597 414.0711       93.92154 37.14882 9.326087 43.72575 5.116218 -6.576931 
10.63727 
1 1 1 -3  -7  28 f 95.53355 3.775583  2031.688       143.3992 1883.883       
239.8613 2113.900       178.8881 92.09332 6.203734 98.97379 4.305090 -6.880463 
7.551167 
1 1 1 -3  -7  29 o 40.64715 5.604658  369.7026       84.65625 449.4883       
163.3384 340.3987       98.98926 42.31670 9.436980 38.97760 6.049145 3.339096 
11.20932 
1 1 1 -3  -7  30 o 43.06886 5.500406  432.5031       87.60713 480.7783       
165.7528 413.7894       103.1998 43.26759 9.388346 42.87014 5.733833 0.3974533 
11.00081 
1 1 1 -3  -7  31 o 37.96179 6.427219  381.3464       91.64746 358.5254       
189.5752 388.3066       104.6945 34.86118 11.32942 41.06240 6.072964 -6.201221 
12.85444 
1 1 1 -3  -7  32 o 73.26378 4.499887  1171.308       115.5132 1491.254       
252.5110 1086.634       129.9024 76.82532 7.828834 69.70225 4.439065 7.123070 
8.999774 
1 1 1 -3  -7  33 o 18.00097 5.708510  9.109394       94.45753 -226.3611      
194.4348 81.84924       108.0667 16.32003 8.038279 19.68192 8.107677 -3.361885 
11.41702 
1 1 1 -3  -6  1  o 258.3678 1.383004  14020.83       149.9604 13720.24       
213.4096 14314.01       210.7671 255.6305 1.988486 261.1051 1.922687 -5.474594 
2.766008 
1 1 1 -3  -6  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -6  3  o 202.4994 1.192212  8617.921       101.2369 8381.783       
145.4990 8839.524       140.9504 199.8068 1.734486 205.1919 1.636165 -5.385101 
2.384424 
1 1 1 -3  -6  4  o 314.8387 2.558812  20820.33       334.6904 20811.92       
442.4605 20831.56       511.7005 314.7797 3.348026 314.8977 3.870503 
-0.1179810     5.117624 
1 1 1 -3  -6  5  o 29.63762 1.494149  184.4965       18.45223 155.7145       
25.60838 215.5770       26.61129 27.23227 2.239852 32.04298 1.978127 -4.810709 
2.988298 
1 1 1 -3  -6  6  o 68.08762 1.425635  965.7527       40.33429 1024.582       
62.37209 923.4686       52.87882 69.85504 2.126736 66.32019 1.899140 3.534851 
2.851270 
1 1 1 -3  -6  7  o 509.5768 4.439112  54653.75       936.3443 54810.43       
1226.716 54435.06       1449.333 510.5418 5.723133 508.6119 6.787387 1.929932 
8.878224 
1 1 1 -3  -6  8  o 353.2217 3.550576  26188.98       510.2474 26376.71       
832.8348 26076.17       645.6018 354.1749 5.600956 352.2685 4.365280 1.906403 
7.101153 
1 1 1 -3  -6  9  o 181.0639 2.817894  6867.890       213.8703 7261.495       
313.3296 6524.539       292.6452 185.9058 4.014483 176.2221 3.955506 9.683624 
5.635788 
1 1 1 -3  -6  10 o 160.9141 2.305845  5335.829       136.7850 5227.612       
158.3234 5654.379       271.6353 157.7808 2.390077 164.0474 3.944010 -6.266586 
4.611690 
1 1 1 -3  -6  11 o 45.96260 1.928914  443.7097       37.21850 438.9443       
52.77779 448.4239       52.49317 45.71692 2.749764 46.20829 2.705852 
-0.4913712     3.857828 
1 1 1 -3  -6  12 o 272.7672 4.748207  15671.00       543.6231 15939.64       
765.2655 15397.35       772.3822 275.1388 6.624931 270.3955 6.803836 4.743286 
9.496414 
1 1 1 -3  -6  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -6  14 o 101.2427 2.012973  2152.569       85.30752 2163.463       
125.7302 2143.275       116.1273 101.4770 2.951163 101.0083 2.738408 0.4686432 
4.025946 
1 1 1 -3  -6  15 o 171.0004 2.892506  6095.562       205.1749 6493.269       
319.6676 5816.947       267.5589 175.6805 4.334072 166.3202 3.831735 9.360321 
5.785013 
1 1 1 -3  -6  16 o 243.8936 3.950342  12548.83       403.8649 12617.07       
556.6791 12473.01       586.8140 244.6270 5.420280 243.1602 5.748163 1.466766 
7.900684 
1 1 1 -3  -6  17 o 119.5955 1.775828  2986.806       88.56698 3165.284       
134.7040 2850.897       117.5469 122.7166 2.614559 116.4745 2.403818 6.242111 
3.551656 
1 1 1 -3  -6  18 o 139.1493 2.274322  3998.648       118.5163 3910.291       
138.3790 4241.872       229.5889 136.3909 2.416606 141.9077 3.853593 -5.516800 
4.548644 
1 1 1 -3  -6  19 o 87.14380 2.205362  1598.797       80.63648 1614.314       
112.4156 1582.352       115.7311 87.58391 3.057196 86.70369 3.179315 0.8802185 
4.410725 
1 1 1 -3  -6  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -6  21 o 84.57237 2.082472  1502.164       73.67769 1537.482       
109.4422 1472.889       99.63845 85.47252 3.049855 83.67222 2.836395 1.800301 
4.164944 
1 1 1 -3  -6  22 o 172.6523 3.008203  6309.062       214.8628 6196.204       
331.9380 6390.452       281.8844 171.2331 4.617325 174.0716 3.857129 -2.838547 
6.016406 
1 1 1 -3  -6  23 o 39.50906 3.340732  332.5619       54.54250 407.5680       
78.25533 261.7033       76.06097 43.90095 4.245815 35.11718 5.158973 8.783772 
6.681463 
1 1 1 -3  -6  24 o 187.7011 3.549779  7496.313       279.6195 7591.584       
391.4605 7397.065       399.5470 188.9608 4.934433 186.4415 5.104420 2.519363 
7.099558 
1 1 1 -3  -6  25 o 71.48021 2.356212  1079.647       70.68689 1056.422       
98.44785 1104.363       101.5574 70.68943 3.317209 72.27099 3.347099 -1.581558 
4.712425 
1 1 1 -3  -6  26 o 89.28108 2.375162  1690.121       88.95110 1736.057       
124.3974 1642.059       127.2425 90.54425 3.272439 88.01791 3.443360 2.526344 
4.750324 
1 1 1 -3  -6  27 o 110.4344 2.574760  2598.799       117.8576 2613.721       
155.1237 2578.424       181.2643 110.9347 3.330671 109.9341 3.927363 1.000641 
5.149519 
1 1 1 -3  -6  28 o 74.46735 2.475375  1168.302       76.66398 1081.213       
100.4482 1289.811       118.6492 71.23283 3.358790 77.70188 3.637094 -6.469055 
4.950750 
1 1 1 -3  -6  29 o 86.56917 3.615990  1661.864       121.0110 1583.615       
215.0075 1698.143       146.4000 84.32158 6.073457 88.81676 3.926152 -4.495186 
7.231981 
1 1 1 -3  -6  30 o 59.99156 4.440627  869.1483       97.72961 682.7226       
176.5459 951.5155       117.3498 53.83073 7.811754 66.15239 4.225302 -12.32166 
8.881254 
1 1 1 -3  -6  31 o 37.77450 6.025043  333.1472       84.23303 430.4426       
166.9075 299.8990       97.56952 40.09396 9.949988 35.45504 6.797225 4.638927 
12.05009 
1 1 1 -3  -6  32 o 29.45172 7.063475  203.0150       91.24066 352.2180       
190.8800 158.8286       103.8762 33.96016 11.36834 24.94328 8.386387 9.016882 
14.12695 
1 1 1 -3  -6  33 o 18.41418 5.971411  5.452395       90.96986 -6.350472      
192.1003 8.864379       103.2851 20.20964 9.391335 16.61872 7.377928 3.590923 
11.94282 
1 1 1 -3  -5  1  o 101.6223 1.509113  2168.169       64.38000 2127.678       
90.64571 2209.386       91.45382 100.6648 2.144819 102.5797 2.123545 -1.914925 
3.018227 
1 1 1 -3  -5  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -5  3  o 226.3904 1.481642  10688.09       135.4600 10499.74       
169.0507 11025.96       226.4214 223.6294 1.800566 229.1514 2.353511 -5.521942 
2.963284 
1 1 1 -3  -5  4  o 180.0774 1.645072  6709.590       116.9323 6525.806       
141.9044 7098.365       206.3907 176.2998 1.917189 183.8549 2.673843 -7.555161 
3.290144 
1 1 1 -3  -5  5  o 149.6749 1.768272  4686.998       110.6820 4521.977       
149.0201 4890.041       165.2984 146.7488 2.418752 152.6011 2.580074 -5.852295 
3.536544 
1 1 1 -3  -5  6  o 289.5189 3.504512  17588.19       392.5603 17541.56       
470.9071 17694.39       710.7355 288.9619 3.881644 290.0758 5.836031 -1.113831 
7.009024 
1 1 1 -3  -5  7  o 131.5357 1.901968  3631.534       102.4902 3641.309       
164.0855 3625.281       131.2406 131.6754 2.968157 131.3960 2.379069 0.2793274 
3.803936 
1 1 1 -3  -5  8  o 512.3509 5.341231  54113.18       930.4849 57260.47       
2073.755 53319.81       1041.178 521.0382 9.480012 503.6636 4.923858 17.37460 
10.68246 
1 1 1 -3  -5  9  o 579.4858 7.292524  71097.36       1563.457 70476.77       
3035.085 71321.51       1824.095 576.9653 12.52975 582.0063 7.465191 -5.041016 
14.58505 
1 1 1 -3  -5  10 o 248.1353 3.862211  12949.00       402.0169 13005.27       
557.9714 12888.25       579.7280 248.7049 5.343781 247.5657 5.577697 1.139252 
7.724422 
1 1 1 -3  -5  11 o 219.5893 2.926989  10152.51       259.4060 10205.74       
325.2868 10059.54       429.9353 220.4128 3.515206 218.7658 4.681067 1.647018 
5.853978 
1 1 1 -3  -5  12 o 511.7626 6.586230  55374.41       1255.772 55479.15       
1470.496 55092.26       2413.518 513.3194 6.823345 510.2059 11.26746 3.113525 
13.17246 
1 1 1 -3  -5  13 o 360.1364 5.599233  27339.60       844.8626 27183.88       
1156.876 27517.56       1236.752 359.0879 7.673742 361.1850 8.155937 -2.097046 
11.19847 
1 1 1 -3  -5  14 f 180.3476 3.883659  6701.484       271.0892 7215.007       
498.3095 6485.619       323.0816 185.0671 6.413440 175.6281 4.381667 9.439011 
7.767318 
1 1 1 -3  -5  15 o 82.44273 2.565922  1427.746       88.81264 1427.746       
88.81264 0.000000       0.000000 82.44273 2.565922 ?        ?        ? ? 
1 1 1 -3  -5  16 o 146.3508 2.252274  4509.785       137.1551 4562.071       
182.7778 4442.399       207.4988 147.3368 2.954835 145.3649 3.399986 1.971893 
4.504548 
1 1 1 -3  -5  17 o 79.83450 1.973061  1336.319       65.60628 1314.254       
87.11183 1365.236       99.72452 79.08080 2.623778 80.58819 2.947485 -1.507385 
3.946122 
1 1 1 -3  -5  18 f 108.2756 2.239776  2468.357       101.7204 2553.215       
142.5896 2380.421       145.1535 110.1782 3.082572 106.3731 3.250251 3.805145 
4.479552 
1 1 1 -3  -5  19 o 98.94586 2.318524  2024.155       90.06514 2163.057       
160.9701 1960.854       108.6667 101.3291 3.783831 96.56258 2.680455 4.766563 
4.637048 
1 1 1 -3  -5  20 o 230.4546 4.840456  11107.50       448.2112 11925.86       
763.9238 10677.90       553.4921 236.4344 7.695919 224.4748 5.873065 11.95956 
9.680912 
1 1 1 -3  -5  21 o 119.6508 2.221644  3001.388       110.5166 3096.106       
169.6261 2931.524       145.6806 121.2649 3.331797 118.0368 2.939717 3.228119 
4.443288 
1 1 1 -3  -5  22 o 119.7387 2.569450  3018.074       128.9614 2970.947       
176.8521 3071.590       188.4587 118.7521 3.547237 120.7253 3.718253 -1.973244 
5.138900 
1 1 1 -3  -5  23 o 177.3152 3.315170  6654.800       245.7013 6689.863       
332.7368 6612.754       364.3608 177.8955 4.455094 176.7349 4.910553 1.160583 
6.630340 
1 1 1 -3  -5  24 o 93.76132 2.428532  1859.420       95.38644 1970.215       
133.5863 1744.169       136.2466 96.63755 3.292585 90.88509 3.570707 5.752464 
4.857064 
1 1 1 -3  -5  25 o 93.90319 2.219468  1863.162       87.27422 1885.761       
119.6271 1837.447       127.6079 94.53313 3.014162 93.27325 3.258677 1.259872 
4.438936 
1 1 1 -3  -5  26 o 76.45418 2.330729  1239.199       74.63660 1288.206       
103.4618 1186.021       107.7744 78.05809 3.157062 74.85026 3.429600 3.207832 
4.661458 
1 1 1 -3  -5  27 o 143.4930 2.925585  4393.668       161.2569 4398.318       
192.7291 4382.816       294.4484 144.0749 3.186250 142.9111 4.907546 1.163834 
5.851171 
1 1 1 -3  -5  28 o 16.41323 4.837344  18.45501       55.50648 27.99933       
78.55677 8.939184       78.43940 16.92536 6.932323 15.90110 6.748518 1.024261 
9.674688 
1 1 1 -3  -5  29 o 80.20613 2.637866  1380.005       88.42982 1397.102       
120.0089 1359.693       130.8047 80.83282 3.536280 79.57943 3.915108 1.253395 
5.275732 
1 1 1 -3  -5  30 o 16.76406 4.889972  27.55727       56.74059 53.17402       
72.71057 -12.33615      90.73737 17.74489 6.857783 15.78323 6.972670 1.961663 
9.779944 
1 1 1 -3  -5  31 o 54.49966 5.117409  728.3383       96.47083 629.5682       
184.9699 765.2438       113.0666 49.94887 9.162501 59.05045 4.560708 -9.101578 
10.23482 
1 1 1 -3  -5  32 o 30.03595 6.334818  252.6541       87.03973 157.9836       
170.5464 285.9972       101.2135 25.93846 10.37055 34.13343 7.278145 -8.194979 
12.66964 
1 1 1 -3  -5  33 o 42.42386 6.398480  428.3692       96.56602 628.8875       
203.6513 370.2075       109.6803 46.22215 10.69770 38.62556 7.022927 7.596588 
12.79696 
1 1 1 -3  -5  34 o 36.23084 6.671330  408.1242       101.5907 354.8095       
180.0789 433.0134       123.0395 31.89100 11.03111 40.57069 7.506075 -8.679686 
13.34266 
1 1 1 -3  -4  1  o 343.4287 2.892528  24591.77       374.5229 25205.92       
711.9752 24356.81       440.3749 346.3075 4.896932 340.5500 3.080085 5.757477 
5.785055 
1 1 1 -3  -4  2  o 518.1074 4.194937  56399.79       912.4817 0.000000       
0.000000 56399.79       912.4817 ?        ?        518.1074 4.194937 ? ? 
1 1 1 -3  -4  3  o 339.1776 2.872669  23701.13       326.6619 24952.21       
741.3526 23399.71       363.8921 344.5399 5.125147 333.8153 2.596495 10.72464 
5.745339 
1 1 1 -3  -4  4  o 344.8965 3.402874  25089.76       458.8022 25248.31       
556.3538 24752.75       811.1349 346.6808 3.822454 343.1122 5.630902 3.568573 
6.805748 
1 1 1 -3  -4  5  o 106.0810 1.569345  2365.467       65.94328 2370.796       
80.86887 2354.890       113.9214 106.2640 1.812660 105.8980 2.562350 0.3659668 
3.138690 
1 1 1 -3  -4  6  o 133.8374 1.968378  3766.782       110.3952 4025.200       
155.9157 3506.989       156.3299 138.4487 2.682389 129.2261 2.881463 9.222687 
3.936755 
1 1 1 -3  -4  7  o 73.59908 1.544337  1127.805       47.31587 1208.135       
72.68752 1068.738       62.32978 75.85332 2.282476 71.34482 2.080914 4.508507 
3.088673 
1 1 1 -3  -4  8  f 322.0793 3.544702  21299.29       415.5463 22821.29       
843.5030 20811.52       477.5125 329.3992 6.099372 314.7595 3.613490 14.63968 
7.089405 
1 1 1 -3  -4  9  f 491.3665 6.622543  50685.29       1318.690 50034.14       
1655.666 51815.00       2180.818 487.3608 8.091763 495.3722 10.48597 -8.011383 
13.24509 
1 1 1 -3  -4  10 o 420.7373 4.072843  37239.92       718.2902 37457.34       
989.9550 36998.18       1043.815 422.0573 5.586825 419.4172 5.927866 2.640106 
8.145686 
1 1 1 -3  -4  11 o 287.5033 3.578647  17406.11       397.7962 17302.08       
718.9256 17452.01       477.5645 286.8002 5.970705 288.2064 3.946840 -1.406189 
7.157295 
1 1 1 -3  -4  12 o 473.3911 6.184705  47263.60       1228.895 47283.39       
1757.310 47244.66       1719.158 473.4640 8.840613 473.3181 8.651349 0.1459351 
12.36941 
1 1 1 -3  -4  13 o 410.2452 5.587741  35322.30       948.1827 36371.08       
1482.852 34596.87       1233.251 415.2376 8.505939 405.2527 7.248476 9.984955 
11.17548 
1 1 1 -3  -4  14 o 131.7361 2.096258  3516.917       103.8535 3367.328       
121.0243 3934.751       202.2670 126.6283 2.276474 136.8438 3.520633 -10.21550 
4.192516 
1 1 1 -3  -4  15 o 69.12161 1.984948  1004.528       57.54813 978.0533       
82.49155 1029.629       80.32249 68.23232 2.879655 70.01091 2.732703 -1.778595 
3.969897 
1 1 1 -3  -4  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -4  17 o 84.78183 2.154081  1505.721       76.00129 1548.879       
116.1131 1473.371       100.5278 85.83440 3.222114 83.72926 2.859762 2.105133 
4.308162 
1 1 1 -3  -4  18 o 20.04073 4.461473  83.84114       41.87559 80.30450       
59.40325 87.33470       59.04047 19.73401 6.335372 20.34746 6.283471 
-0.6134510     8.922945 
1 1 1 -3  -4  19 o 203.3227 5.561918  8738.705       474.7767 8738.705       
474.7767 0.000000       0.000000 203.3227 5.561918 ?        ?        ? ? 
1 1 1 -3  -4  20 o 89.52554 2.389012  1671.611       88.65938 1784.727       
138.5400 1593.153       115.3799 92.04922 3.584893 87.00185 3.158806 5.047379 
4.778024 
1 1 1 -3  -4  21 o 45.44329 2.923944  432.1517       54.14488 591.6392       
80.96749 303.1352       72.82324 52.99355 3.639224 37.89303 4.577536 15.10052 
5.847887 
1 1 1 -3  -4  22 o 259.6121 4.698585  14261.08       478.8941 14482.67       
844.8880 14156.18       581.2908 260.5486 7.723808 258.6755 5.352531 1.873077 
9.397170 
1 1 1 -3  -4  23 o 70.29308 2.434176  1037.067       71.05921 1067.494       
109.5010 1014.932       93.39543 71.16315 3.665084 69.42301 3.204374 1.740143 
4.868352 
1 1 1 -3  -4  24 o 20.48920 5.086462  78.14232       54.50309 98.96073       
79.42271 59.61195       74.93127 22.02707 7.333127 18.95134 7.050790 3.075731 
10.17292 
1 1 1 -3  -4  25 o 64.33669 2.536125  874.7565       68.49871 869.8624       
97.22903 879.5792       96.51850 64.15524 3.609814 64.51814 3.563279 
-0.3628998     5.072250 
1 1 1 -3  -4  26 o 70.86087 2.446104  1063.271       72.66118 997.8628       
102.8813 1128.367       102.6360 68.66686 3.568703 73.05488 3.346350 -4.388016 
4.892208 
1 1 1 -3  -4  27 o 74.22839 2.560288  1162.877       79.45871 1024.758       
108.5180 1322.519       116.6672 69.47952 3.720199 78.97726 3.518582 -9.497742 
5.120576 
1 1 1 -3  -4  28 o 38.99262 3.687629  328.0545       60.34248 319.7112       
83.85364 337.0154       86.90231 38.48404 5.189940 39.50120 5.240130 -1.017159 
7.375259 
1 1 1 -3  -4  29 o 33.78142 4.603661  264.5159       63.04016 349.2336       
88.33025 176.5695       89.99763 40.05883 5.252091 27.50401 7.562428 12.55482 
9.207322 
1 1 1 -3  -4  30 o 30.41368 5.201093  220.5142       65.57477 233.6969       
87.80272 203.8870       98.60847 31.64789 6.803598 29.17947 7.868704 2.468424 
10.40219 
1 1 1 -3  -4  31 o 111.7329 2.751323  2704.001       127.0012 2722.724       
165.9697 2677.548       197.2729 112.5038 3.513845 110.9620 4.234620 1.541855 
5.502646 
1 1 1 -3  -4  32 o 24.52722 5.409811  144.7317       62.54638 113.0787       
86.03397 180.2147       91.09032 22.07818 7.625873 26.97625 7.675303 -4.898071 
10.81962 
1 1 1 -3  -4  33 o 47.00361 3.610542  502.6200       69.30027 517.8655       
89.38065 479.6419       109.7312 48.32686 4.405304 45.68036 5.721656 2.646507 
7.221084 
1 1 1 -3  -4  34 o 32.65926 6.985231  258.7087       96.35594 529.9308       
191.6985 167.0189       111.4594 40.75983 10.96211 24.55869 8.660600 16.20114 
13.97046 
1 1 1 -3  -3  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -3  2  o 135.4894 1.775345  3925.555       96.62936 3599.544       
158.4182 4118.716       121.9407 130.9204 2.882164 140.0583 2.073771 -9.137878 
3.550689 
1 1 1 -3  -3  3  o 371.0586 3.202772  28971.03       492.1544 28696.07       
759.4902 29170.06       646.1814 369.5063 4.895774 372.6109 4.130665 -3.104553 
6.405544 
1 1 1 -3  -3  4  o 221.0283 2.205691  10265.36       203.3598 10215.19       
305.0329 10305.50       272.8406 220.5356 3.294497 221.5210 2.933697 
-0.9854126     4.411381 
1 1 1 -3  -3  5  o 244.9629 2.784739  12739.01       277.3936 12052.96       
445.8576 13172.28       354.3190 239.4994 4.434175 250.4264 3.370043 -10.92700 
5.569479 
1 1 1 -3  -3  6  o 13.55760 2.629092  38.46661       17.14127 11.66195       
24.73771 63.22311       23.77383 10.07164 3.974221 17.04356 3.442973 -6.971920 
5.258184 
1 1 1 -3  -3  7  o 75.12273 1.410491  1183.197       44.43553 1219.076       
64.72138 1151.204       61.11613 76.19827 2.023130 74.04717 1.965932 2.151100 
2.820982 
1 1 1 -3  -3  8  o 382.9763 5.051689  30871.78       765.0186 30866.36       
1327.272 30874.48       936.1705 382.7807 8.259065 383.1718 5.819457 
-0.3911438     10.10338 
1 1 1 -3  -3  9  o 486.5411 4.063478  49737.14       811.2844 49975.18       
1293.343 49582.71       1041.716 487.4114 6.320319 485.6707 5.108914 1.740631 
8.126957 
1 1 1 -3  -3  10 o 352.9621 4.160781  26264.65       541.5115 26067.31       
1057.771 26334.74       630.3804 351.9031 7.159617 354.0211 4.241257 -2.118042 
8.321562 
1 1 1 -3  -3  11 o 238.7222 2.105643  11955.74       207.0832 11901.57       
267.8729 12036.20       326.4615 238.0621 2.680153 239.3822 3.248338 -1.320114 
4.211285 
1 1 1 -3  -3  12 o 327.0409 3.838133  22497.07       526.8091 22208.66       
751.8841 22775.18       738.3417 324.9727 5.510933 329.1092 5.343657 -4.136475 
7.676265 
1 1 1 -3  -3  13 o 208.7601 3.009216  9149.912       253.9342 9192.250       
420.8063 9125.663       318.4514 209.1072 4.793296 208.4129 3.639482 0.6942902 
6.018432 
1 1 1 -3  -3  14 o 229.3681 3.674565  11063.58       353.7059 11112.66       
507.9967 11017.40       492.7815 229.8560 5.264123 228.8802 5.128228 0.9758606 
7.349130 
1 1 1 -3  -3  15 o 169.6026 2.115224  6088.365       141.8888 5905.782       
244.2051 6181.415       174.3348 167.6466 3.469613 171.5587 2.420430 -3.912048 
4.230448 
1 1 1 -3  -3  16 o 145.1925 2.408097  4429.800       146.6573 4414.733       
202.9648 4446.262       212.1493 144.9377 3.335496 145.4473 3.474216 
-0.5096283     4.816193 
1 1 1 -3  -3  17 o 185.0293 4.734553  7207.210       367.7888 0.000000       
0.000000 7207.210       367.7888 ?        ?        185.0293 4.734553 ? ? 
1 1 1 -3  -3  18 o 97.23434 2.369956  1993.563       96.15572 1936.738       
143.0117 2040.446       129.9012 95.95571 3.549948 98.51299 3.140803 -2.557274 
4.739913 
1 1 1 -3  -3  19 o 157.4148 8.219821  5273.065       543.2338 0.000000       
0.000000 5273.065       543.2338 ?        ?        157.4148 8.219821 ? ? 
1 1 1 -3  -3  20 o 113.0815 2.158578  2681.131       101.4491 2755.247       
155.8053 2626.582       133.6672 114.4166 3.243502 111.7464 2.849130 2.670181 
4.317157 
1 1 1 -3  -3  21 o 179.7962 3.713200  6838.487       279.2141 6824.757       
413.0899 6850.036       378.8633 179.5700 5.479386 180.0225 5.012758 
-0.4524994     7.426400 
1 1 1 -3  -3  22 o 60.96717 2.624886  789.8423       66.51215 724.2892       
98.74282 844.2891       89.99005 58.61272 4.012682 63.32162 3.385038 -4.708900 
5.249772 
1 1 1 -3  -3  23 o 131.6723 2.980177  3637.132       162.8631 3792.373       
252.2251 3526.123       213.2869 134.0245 4.482550 129.3201 3.928431 4.704422 
5.960354 
1 1 1 -3  -3  24 o 202.9490 4.026376  8727.797       342.0196 8964.179       
506.5501 8529.741       463.6673 205.3953 5.874258 200.5027 5.508168 4.892548 
8.052752 
1 1 1 -3  -3  25 o 86.26735 2.476574  1565.698       89.42950 1638.477       
132.7342 1505.198       121.0207 88.08460 3.589252 84.45010 3.413347 3.634506 
4.953147 
1 1 1 -3  -3  26 o 165.1989 2.602530  5829.016       173.9818 5558.720       
283.4362 5992.435       220.3870 161.9140 4.169577 168.4838 3.115652 -6.569809 
5.205061 
1 1 1 -3  -3  27 o 89.56947 2.344760  1700.903       87.96301 1635.007       
127.2844 1761.144       121.7004 87.87638 3.450039 91.26255 3.176291 -3.386169 
4.689520 
1 1 1 -3  -3  28 o 99.15809 2.435332  2071.826       100.9683 1923.819       
135.5082 2256.559       151.3897 95.22257 3.389586 103.0936 3.497725 -7.871033 
4.870665 
1 1 1 -3  -3  29 o 40.59014 4.084921  359.7611       66.47345 270.7977       
89.41649 469.6716       99.38740 34.59517 6.397117 46.58512 5.081656 -11.98995 
8.169843 
1 1 1 -3  -3  30 o 69.18504 2.728757  1031.147       78.77524 1069.130       
106.9603 986.1225       116.4543 70.67926 3.604555 67.69083 4.097761 2.988434 
5.457514 
1 1 1 -3  -3  31 o 83.20959 2.550396  1474.455       87.41746 1419.798       
112.3222 1558.421       139.2164 81.43745 3.285205 84.98174 3.901988 -3.544296 
5.100793 
1 1 1 -3  -3  32 o 27.51291 5.581549  182.6918       68.51335 140.8898       
92.19634 234.2465       102.3881 24.23741 7.900848 30.78840 7.886148 -6.550987 
11.16310 
1 1 1 -3  -3  33 o 55.27432 3.287282  673.7514       75.93262 591.2975       
103.4036 770.2508       111.8646 51.54203 4.778541 59.00661 4.515576 -7.464577 
6.574564 
1 1 1 -3  -3  34 o 18.36995 5.345242  55.04118       66.38868 46.67285       
91.25227 64.45127       96.76567 17.79206 7.399150 18.94784 7.716152 -1.155785 
10.69048 
1 1 1 -3  -3  35 o 40.39473 5.322377  426.9617       88.28244 382.6541       
121.8412 475.9334       128.0938 37.53889 7.971630 43.25057 7.054355 -5.711678 
10.64475 
1 1 1 -3  -2  1  o 228.6845 3.192153  10991.29       295.6868 10996.70       
372.1489 10982.02       486.9572 228.7921 3.874332 228.5769 5.074339 0.2151794 
6.384306 
1 1 1 -3  -2  2  o 86.18880 1.406035  1552.492       50.51269 1502.926       
67.05836 1617.505       76.79997 84.60674 1.887857 87.77086 2.084163 -3.164116 
2.812070 
1 1 1 -3  -2  3  o 314.1038 2.541615  20713.46       302.7686 20749.76       
566.7996 20698.96       358.1468 314.2521 4.296081 313.9555 2.717153 0.2965393 
5.083230 
1 1 1 -3  -2  4  f 219.5641 2.233774  10096.27       195.7205 10033.37       
241.4041 10216.94       334.3473 218.5860 2.630531 220.5423 3.610996 -1.956238 
4.467548 
1 1 1 -3  -2  5  o 26.70396 1.783275  149.6608       19.97664 158.3084       
28.59087 141.4121       27.92343 27.45740 2.480213 25.95053 2.562970 1.506878 
3.566549 
1 1 1 -3  -2  6  o 130.2305 1.692452  3563.661       92.47141 3466.299       
132.0067 3657.470       129.5758 128.4819 2.447231 131.9791 2.338513 -3.497192 
3.384905 
1 1 1 -3  -2  7  o 247.3981 2.401723  12149.56       165.0126 13819.60       
481.3988 11927.21       175.6543 256.4487 4.471215 238.3475 1.755372 18.10118 
4.803446 
1 1 1 -3  -2  8  o 68.20137 1.526662  977.9398       43.58326 958.7064       
63.80466 994.7636       59.67450 67.57119 2.249116 68.83156 2.065011 -1.260368 
3.053325 
1 1 1 -3  -2  9  o 148.4198 2.036402  4623.528       126.8260 4417.715       
177.2530 4839.421       181.5420 145.0368 2.910963 151.8029 2.848512 -6.766129 
4.072803 
1 1 1 -3  -2  10 o 314.4598 4.280356  20740.37       559.7692 21211.22       
856.5801 20389.42       739.5234 317.5273 6.425517 311.3923 5.656725 6.134918 
8.560713 
1 1 1 -3  -2  11 f 318.4466 4.798838  21314.43       639.7122 21004.76       
869.2302 21680.33       944.8760 315.9536 6.552886 320.9396 7.012495 -4.986023 
9.597676 
1 1 1 -3  -2  12 o 206.5597 2.901830  8808.698       231.8853 8573.199       
276.5659 9366.098       425.4883 202.0294 3.260658 211.0901 4.801102 -9.060684 
5.803660 
1 1 1 -3  -2  13 o 210.0905 2.657447  9193.904       221.9842 9519.175       
384.1856 9030.883       271.9811 212.8280 4.299653 207.3531 3.124275 5.474930 
5.314895 
1 1 1 -3  -2  14 o 160.3176 2.389080  5377.161       154.2804 5477.808       
258.6267 5321.558       192.2293 161.4605 3.815295 159.1747 2.876514 2.285828 
4.778159 
1 1 1 -3  -2  15 f 69.59258 1.939585  1010.697       56.48555 920.6115       
76.49580 1118.713       83.76322 66.20428 2.752153 72.98086 2.733792 -6.776573 
3.879171 
1 1 1 -3  -2  16 o 314.8516 4.988104  20864.59       657.7504 20352.64       
894.9374 21465.99       969.9877 310.6988 6.860790 319.0044 7.242535 -8.305603 
9.976209 
1 1 1 -3  -2  17 o 73.65593 1.960022  1134.191       60.45906 1044.938       
82.29060 1238.877       89.12139 70.52271 2.779344 76.78914 2.764415 -6.266426 
3.920043 
1 1 1 -3  -2  18 o 187.6172 3.640765  7413.141       283.7632 7387.796       
374.8250 7447.170       434.3198 187.2929 4.766816 187.9415 5.504375 
-0.6486053     7.281530 
1 1 1 -3  -2  19 o 191.0930 5.708983  7711.189       458.0181 7711.189       
458.0181 0.000000       0.000000 191.0930 5.708983 ?        ?        ? ? 
1 1 1 -3  -2  20 o 97.97353 2.412081  2007.535       98.77094 2151.858       
148.4689 1892.948       132.2928 101.1058 3.497684 94.84131 3.322460 6.264442 
4.824162 
1 1 1 -3  -2  21 o 127.5296 2.536823  3413.908       125.3169 3456.758       
226.7117 3395.056       150.3789 128.0201 4.218100 127.0391 2.819490 0.9810333 
5.073647 
1 1 1 -3  -2  22 o 163.4989 3.290225  5560.701       222.2151 6099.223       
353.1273 5207.644       285.9246 169.8922 4.950840 157.1057 4.334917 12.78654 
6.580450 
1 1 1 -3  -2  23 f 145.4849 2.658806  4453.953       143.6235 4474.007       
278.2776 4446.672       167.6829 145.5768 4.553101 145.3931 2.747046 0.1836243 
5.317611 
1 1 1 -3  -2  24 o 181.4410 3.266565  6958.540       248.4834 6985.383       
342.8437 6928.837       360.6492 181.8429 4.490769 181.0390 4.744975 0.8039551 
6.533131 
1 1 1 -3  -2  25 o 26.49362 5.036244  142.5577       57.18771 219.9617       
93.85796 96.85446       72.12116 31.42456 7.255564 21.56268 6.986544 9.861883 
10.07249 
1 1 1 -3  -2  26 o 130.0110 2.572160  3525.792       137.0566 3786.784       
222.4155 3366.015       174.0235 133.7540 3.960766 126.2679 3.282737 7.486191 
5.144320 
1 1 1 -3  -2  27 o 103.6060 2.494531  2270.486       106.0693 2277.210       
168.8840 2266.105       136.3069 103.6446 3.881173 103.5675 3.134841 
0.7714081E-01  4.989061 
1 1 1 -3  -2  28 o 78.57834 2.608500  1303.738       85.80343 1216.792       
116.0858 1408.441       127.3891 75.71511 3.651888 81.44156 3.725695 -5.726448 
5.217000 
1 1 1 -3  -2  29 o 74.14380 2.660734  1160.684       82.03329 1097.063       
107.6438 1248.819       126.6959 71.79860 3.571036 76.48901 3.945341 -4.690407 
5.321467 
1 1 1 -3  -2  30 o 146.1339 2.726413  4592.261       153.5562 4621.440       
184.2883 4525.991       277.7225 147.4851 2.976259 144.7827 4.568939 2.702332 
5.452826 
1 1 1 -3  -2  31 o 76.44623 2.655321  1226.421       83.75963 1105.738       
107.1265 1416.240       134.3520 71.81517 3.553055 81.07729 3.946989 -9.262123 
5.310642 
1 1 1 -3  -2  32 f 49.11647 3.575729  539.6710       72.64600 603.1486       
99.19888 466.2540       106.6828 52.52681 4.498283 45.70613 5.559568 6.820683 
7.151458 
1 1 1 -3  -2  33 f 94.63977 2.641630  1890.234       101.7267 1737.474       
126.9391 2164.433       170.0679 89.73755 3.369319 99.54200 4.069461 -9.804451 
5.283259 
1 1 1 -3  -2  34 o 54.24155 3.506387  659.1635       79.50405 623.7189       
106.6270 703.5419       119.3105 52.71270 4.818069 55.77039 5.095607 -3.057686 
7.012774 
1 1 1 -3  -2  35 o 23.98907 5.830987  157.3003       77.37421 219.7602       
101.8211 71.94262       119.0307 28.20963 8.143622 19.76852 8.347637 8.441111 
11.66197 
1 1 1 -3  -1  1  o 258.1091 3.981726  13753.34       351.1336 14446.90       
776.3244 13574.97       393.7073 262.0071 7.057506 254.2112 3.688926 7.795959 
7.963452 
1 1 1 -3  -1  2  o 192.5932 1.856172  7727.014       149.1870 7257.643       
198.2966 8339.191       226.4623 185.9097 2.540589 199.2767 2.706826 -13.36702 
3.712344 
1 1 1 -3  -1  3  o 272.0171 3.056014  15537.85       348.7921 14790.83       
487.3093 16322.55       499.4476 265.3141 4.374873 278.7201 4.268180 -13.40601 
6.112027 
1 1 1 -3  -1  4  o 92.72166 1.622565  1803.831       63.13829 1752.478       
87.83952 1858.723       90.81694 91.35744 2.290167 94.08588 2.299130 -2.728439 
3.245129 
1 1 1 -3  -1  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -1  6  o 77.76749 1.511521  1263.990       49.20330 1197.721       
66.51959 1344.052       73.11504 75.52740 2.097810 80.00756 2.176691 -4.480156 
3.023043 
1 1 1 -3  -1  7  o 33.15874 1.867562  230.1204       25.89857 260.3947       
37.73234 203.1532       35.61180 35.21431 2.552205 31.10317 2.727159 4.111143 
3.735123 
1 1 1 -3  -1  8  o 183.7889 2.579647  7096.039       198.9365 6787.433       
280.0327 7410.468       282.6632 179.7523 3.710696 187.8256 3.584558 -8.073334 
5.159295 
1 1 1 -3  -1  9  o 221.8264 1.977314  10324.07       174.7832 10363.89       
298.8949 10303.37       215.4618 222.1371 3.204929 221.5158 2.316791 0.6213226 
3.954629 
1 1 1 -3  -1  10 o 411.0432 5.803888  35650.47       997.3156 36261.36       
1356.079 34930.83       1471.859 414.9579 7.783986 407.1285 8.611042 7.829376 
11.60778 
1 1 1 -3  -1  11 o 400.8931 5.792937  33782.57       961.0787 33410.47       
1254.224 34311.81       1495.808 398.3427 7.499622 403.4435 8.831089 -5.100830 
11.58587 
1 1 1 -3  -1  12 o 523.2109 6.430654  58083.22       1345.589 58914.35       
1672.861 56559.89       2264.779 528.9254 7.533321 517.4965 10.42412 11.42889 
12.86131 
1 1 1 -3  -1  13 o 124.0976 1.957320  3228.365       100.4044 3267.588       
156.7830 3201.095       130.7283 124.7307 2.993965 123.4646 2.522018 1.266045 
3.914639 
1 1 1 -3  -1  14 o 96.39937 1.815912  1913.572       71.67126 1791.532       
90.53590 2118.440       117.3023 92.36593 2.334695 100.4328 2.781968 -8.066887 
3.631824 
1 1 1 -3  -1  15 o 312.7712 3.322162  20598.43       412.3435 20475.60       
709.3403 20661.12       506.7604 311.9836 5.415567 313.5587 3.849504 -1.575104 
6.644325 
1 1 1 -3  -1  16 o 93.85242 2.010842  1849.915       79.21503 1867.566       
113.4236 1833.107       110.6806 94.28889 2.865260 93.41593 2.822096 0.8729630 
4.021684 
1 1 1 -3  -1  17 o 228.6431 3.292415  11000.36       315.7676 10963.53       
455.8442 11034.34       437.8264 228.2638 4.756642 229.0223 4.553498 
-0.7585602     6.584830 
1 1 1 -3  -1  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  -1  19 o 143.9499 2.576376  4394.550       154.2726 4031.707       
228.2126 4699.903       209.3540 138.4081 3.927345 149.4917 3.335687 -11.08354 
5.152751 
1 1 1 -3  -1  20 o 218.8146 5.312536  10110.31       488.0420 0.000000       
0.000000 10110.31       488.0420 ?        ?        218.8146 5.312536 ? ? 
1 1 1 -3  -1  21 o 153.4621 3.260681  4938.025       206.9408 5153.555       
324.7290 4790.639       268.5315 156.2003 4.951770 150.7239 4.243598 5.476410 
6.521361 
1 1 1 -3  -1  22 o 100.0990 2.272615  2111.201       93.87830 2098.997       
146.7228 2119.660       122.1558 99.82742 3.500812 100.3707 2.898869 
-0.5432281     4.545231 
1 1 1 -3  -1  23 o 246.5680 4.723265  12881.10       487.9654 13445.92       
718.0964 12396.55       665.1190 251.5227 6.800277 241.6133 6.556916 9.909470 
9.446529 
1 1 1 -3  -1  24 o 95.40241 2.343038  1881.003       90.12803 2042.771       
152.8576 1794.792       111.5888 98.45055 3.698196 92.35428 2.877958 6.096268 
4.686075 
1 1 1 -3  -1  25 o 118.8949 2.771894  2984.736       138.1824 2975.608       
200.4297 2993.005       190.7670 118.7039 4.021779 119.0859 3.815612 
-0.3819580     5.543789 
1 1 1 -3  -1  26 o 80.01869 2.580219  1358.513       85.89827 1306.200       
129.0750 1400.098       115.0826 78.59186 3.911880 81.44552 3.365607 -2.853661 
5.160438 
1 1 1 -3  -1  27 o 166.8135 3.104144  5912.990       215.6915 5875.180       
325.4174 5942.618       288.0559 166.2151 4.663280 167.4119 4.098372 -1.196869 
6.208287 
1 1 1 -3  -1  28 o 23.90955 5.354085  114.7810       65.56831 38.90307       
92.68019 190.8143       92.77509 18.82269 7.595178 28.99641 7.548389 -10.17372 
10.70817 
1 1 1 -3  -1  29 o 136.0454 3.126641  3946.927       178.1427 4130.865       
263.3083 3791.667       241.9131 138.9047 4.515113 133.1861 4.326349 5.718674 
6.253283 
1 1 1 -3  -1  30 f 32.11054 4.905136  237.5537       64.35728 207.4497       
90.79871 267.9462       91.23271 29.89655 7.289617 34.32454 6.565281 -4.427986 
9.810272 
1 1 1 -3  -1  31 o 112.0400 2.744844  2663.693       127.5484 2495.517       
165.8875 2906.890       199.4853 107.9097 3.661629 116.1703 4.090128 -8.260582 
5.489688 
1 1 1 -3  -1  32 o 126.3247 3.109726  3425.632       161.2654 3256.137       
205.3801 3698.159       260.4265 122.7048 3.986738 129.9445 4.773626 -7.239632 
6.219452 
1 1 1 -3  -1  33 o 59.32937 3.072356  757.6696       75.45551 696.9880       
97.45042 848.5157       119.2364 56.54519 4.104961 62.11354 4.572392 -5.568348 
6.144711 
1 1 1 -3  -1  34 o 58.87804 3.096672  753.2484       75.48030 694.4118       
97.53143 841.1119       119.1859 56.21945 4.132178 61.53663 4.613307 -5.317177 
6.193344 
1 1 1 -3  -1  35 o 56.44045 3.633825  711.8934       83.38519 655.1429       
104.0635 813.6943       139.3762 53.86626 4.601534 59.01464 5.625356 -5.148380 
7.267651 
1 1 1 -3  -1  36 o 19.98137 5.927866  81.54033       84.23784 99.41708       
118.9468 63.55284       119.3146 20.73494 8.517756 19.22780 8.246589 1.507135 
11.85573 
1 1 1 -3  0   1  o 206.7790 2.380482  9039.275       193.0053 8815.952       
338.3124 9147.027       234.9993 204.8515 3.933686 208.7065 2.681956 -3.854996 
4.760964 
1 1 1 -3  0   2  o 441.4736 4.878174  40868.27       875.9326 40440.25       
1106.209 41587.76       1434.220 438.5143 6.008616 444.4329 7.686537 -5.918640 
9.756348 
1 1 1 -3  0   3  o 357.6580 2.431875  26738.12       350.2979 26413.51       
436.1819 27327.82       587.9023 354.6449 2.929510 360.6712 3.882530 -6.026276 
4.863750 
1 1 1 -3  0   4  o 132.5142 1.293743  3465.020       62.76437 4144.542       
129.3683 3255.836       71.77786 140.4949 2.193251 124.5334 1.372858 15.96147 
2.587487 
1 1 1 -3  0   5  o 103.7333 1.537339  2265.325       66.72519 2347.463       
91.71996 2172.985       97.25001 105.7372 2.066128 101.7294 2.277006 4.007759 
3.074678 
1 1 1 -3  0   6  o 365.2397 3.267568  28024.80       500.8885 28357.98       
719.1797 27710.94       698.0206 367.3436 4.663222 363.1358 4.578468 4.207764 
6.535137 
1 1 1 -3  0   7  o 305.7306 2.637911  19113.17       292.8812 18618.96       
335.9401 20678.83       597.9414 297.7646 2.687260 313.6966 4.540147 -15.93192 
5.275823 
1 1 1 -3  0   8  o 71.48832 1.493749  1077.529       44.63656 1007.056       
64.80811 1141.130       61.56774 69.25433 2.228966 73.72231 1.989186 -4.467987 
2.987499 
1 1 1 -3  0   9  o 495.5129 5.565046  51597.91       1075.711 51412.39       
1298.959 52002.86       1919.091 494.3896 6.258169 496.6362 9.204037 -2.246582 
11.13009 
1 1 1 -3  0   10 o 41.22842 1.971781  357.1506       34.11140 367.4315       
47.97636 346.6399       48.50966 41.82911 2.731931 40.62774 2.843981 1.201374 
3.943561 
1 1 1 -3  0   11 o 134.0977 1.830478  3754.119       102.6047 3554.685       
137.5521 4004.283       154.0565 130.1075 2.518175 138.0879 2.657329 -7.980438 
3.660957 
1 1 1 -3  0   12 o 332.4050 3.053586  23218.11       426.0949 22744.46       
600.8768 23697.19       604.3163 328.9925 4.350313 335.8174 4.286296 -6.824890 
6.107173 
1 1 1 -3  0   13 o 249.6956 2.477038  13043.20       257.5305 13504.96       
393.0569 12695.87       340.8939 253.5420 3.692552 245.8493 3.302717 7.692734 
4.954077 
1 1 1 -3  0   14 o 108.4684 1.917699  2458.952       86.91936 2355.756       
116.4467 2588.787       130.6148 105.9126 2.618789 111.0241 2.802180 -5.111465 
3.835397 
1 1 1 -3  0   15 o 152.4270 2.183173  4889.208       139.4473 5082.549       
193.9763 4682.424       200.6075 155.5549 2.970202 149.2991 3.200450 6.255875 
4.366346 
1 1 1 -3  0   16 o 67.69740 2.015315  958.5988       57.15034 1047.695       
83.83334 881.2429       78.11491 70.62408 2.827385 64.77071 2.872608 5.853378 
4.030631 
1 1 1 -3  0   17 o 156.1056 2.699211  5075.095       174.4152 5398.006       
273.8393 4854.683       226.2413 160.2296 4.070746 151.9815 3.545701 8.248093 
5.398423 
1 1 1 -3  0   18 o 126.6096 3.789611  3400.609       199.6485 3158.500       
296.2956 3601.946       270.1970 122.4183 5.765006 130.8008 4.920295 -8.382477 
7.579221 
1 1 1 -3  0   19 o 54.00642 2.412247  610.5826       54.21636 633.6298       
82.96857 593.4075       71.62343 54.88637 3.600561 53.12646 3.211185 1.759907 
4.824494 
1 1 1 -3  0   20 o 79.96432 2.163892  1345.044       70.94339 1343.102       
113.1996 1346.300       91.04037 79.90119 3.374524 80.02745 2.709668 
-0.1262589     4.327785 
1 1 1 -3  0   21 o 119.8575 2.917979  2977.051       135.1425 3157.804       
248.2701 2900.942       161.1012 122.3088 4.834904 117.4062 3.268351 4.902565 
5.835959 
1 1 1 -3  0   22 o 125.8719 4.436282  3343.726       234.4374 3343.726       
234.4374 0.000000       0.000000 125.8719 4.436282 ?        ?        ? ? 
1 1 1 -3  0   23 o 165.1248 3.071086  5647.875       186.0663 5969.776       
371.7014 5540.243       214.9340 168.0098 5.269638 162.2399 3.155503 5.769897 
6.142172 
1 1 1 -3  0   24 o 60.39753 2.721891  769.3871       68.96045 755.7336       
99.05248 782.2294       96.06570 59.87124 3.940653 60.92381 3.755799 -1.052574 
5.443783 
1 1 1 -3  0   25 o 33.12778 4.566242  238.8632       62.08952 288.4222       
88.91090 191.6895       86.74484 36.86438 5.744723 29.39119 7.099326 7.473194 
9.132484 
1 1 1 -3  0   26 o 160.1317 3.382888  5415.432       222.9335 5544.693       
353.8170 5330.330       287.0898 161.5594 5.216359 158.7039 4.308749 2.855530 
6.765776 
1 1 1 -3  0   27 o 55.49026 3.195637  649.4495       74.09034 746.1694       
109.3385 567.3322       100.7471 59.30283 4.391560 51.67771 4.643554 7.625118 
6.391275 
1 1 1 -3  0   28 o 59.97374 3.036645  761.6390       76.21909 852.0204       
111.3464 681.9479       104.5541 63.32708 4.188009 56.62041 4.398345 6.706673 
6.073290 
1 1 1 -3  0   29 o 43.54598 4.044805  423.5507       69.21960 549.2522       
97.79932 297.3752       97.98354 50.67885 4.596530 36.41311 6.656854 14.26574 
8.089610 
1 1 1 -3  0   30 o 34.28197 4.695852  267.1382       65.70805 331.1771       
92.66161 202.3654       93.19108 39.01067 5.657669 29.55327 7.496326 9.457399 
9.391705 
1 1 1 -3  0   31 f 112.2434 2.889369  2715.529       135.7641 2542.424       
194.8354 2878.910       189.2838 108.6344 4.271906 115.8525 3.891609 -7.218071 
5.778737 
1 1 1 -3  0   32 o 39.28250 4.481094  348.5023       69.84525 237.9401       
94.10574 484.1045       104.2188 31.69006 7.230214 46.87494 5.295738 -15.18487 
8.962189 
1 1 1 -3  0   33 o 48.36220 3.551280  512.1091       71.68433 445.8930       
96.37955 594.0923       107.2421 44.85120 5.118372 51.87320 4.924288 -7.022003 
7.102559 
1 1 1 -3  0   34 o 16.03644 4.967093  0.7857614      64.13643 -11.56582      
90.19150 13.42135       91.22251 15.47462 6.879538 16.59826 7.166590 -1.123643 
9.934186 
1 1 1 -3  0   35 o 62.10185 3.632262  875.8257       94.52143 951.9807       
136.3893 805.4481       131.1137 64.80972 5.012579 59.39398 5.258075 5.415733 
7.264523 
1 1 1 -3  0   36 o 26.42128 6.580519  209.1123       91.66526 176.9479       
131.1146 239.8639       128.2029 24.65542 9.295728 28.18714 9.316779 -3.531723 
13.16104 
1 1 1 -3  1   1  o 408.0892 5.118496  34981.71       705.5410 35171.23       
1566.880 34933.52       790.1809 408.4590 9.137097 407.7193 4.616218 0.7397461 
10.23699 
1 1 1 -3  1   2  o 126.3026 1.503255  3343.417       79.16277 3399.765       
119.6202 3299.508       105.5934 127.2461 2.239139 125.3590 2.006330 1.887077 
3.006510 
1 1 1 -3  1   3  f 127.9065 1.838470  3394.410       96.60219 3247.461       
123.2243 3628.735       155.6045 124.3615 2.360106 131.4514 2.819538 -7.089920 
3.676941 
1 1 1 -3  1   4  o 382.3108 3.236447  30682.23       517.6966 30335.66       
701.8026 31095.94       766.7708 379.9604 4.399443 384.6611 4.747974 -4.700714 
6.472894 
1 1 1 -3  1   5  o 416.0508 3.363167  35318.50       516.9740 34209.74       
597.6332 38614.57       1030.423 403.5644 3.527304 428.5372 5.727276 -24.97287 
6.726334 
1 1 1 -3  1   6  o 320.7064 2.811793  21452.45       356.8447 21149.81       
435.4550 22071.18       622.6413 317.3296 3.268540 324.0832 4.576173 -6.753632 
5.623586 
1 1 1 -3  1   7  f 214.0526 2.996615  9617.869       268.3481 9521.875       
363.6825 9732.593       397.5824 212.8889 4.069026 215.2162 4.400208 -2.327286 
5.993229 
1 1 1 -3  1   8  o 72.96583 1.473690  1117.581       45.13858 1135.254       
64.47049 1100.587       63.21910 73.53152 2.088375 72.40014 2.079840 1.131378 
2.947380 
1 1 1 -3  1   9  f 252.6256 3.494282  13364.11       367.5616 13789.85       
560.5510 13042.99       486.8310 256.1241 5.212976 249.1271 4.654556 6.996994 
6.988563 
1 1 1 -3  1   10 o 79.16199 1.755423  1314.725       58.29922 1345.245       
84.40033 1286.875       80.62434 80.03954 2.511659 78.28444 2.453081 1.755104 
3.510845 
1 1 1 -3  1   11 o 331.2642 4.658424  22942.31       631.1879 22457.71       
802.3999 23728.90       1022.281 326.7856 5.848560 335.7428 7.252449 -8.957123 
9.316849 
1 1 1 -3  1   12 o 192.9068 2.657940  7784.705       207.6356 7941.967       
343.8941 7694.485       260.4716 194.4144 4.213252 191.3993 3.241463 3.015106 
5.315879 
1 1 1 -3  1   13 o 183.3940 2.450573  7053.311       182.6020 7111.717       
299.1442 7018.624       230.5342 183.9824 3.872802 182.8055 3.003772 1.176880 
4.901147 
1 1 1 -3  1   14 o 287.9635 4.053642  17414.16       489.2561 16989.52       
669.6094 17900.49       716.6039 284.2156 5.611703 291.7114 5.851225 -7.495789 
8.107284 
1 1 1 -3  1   15 o 393.5910 4.090626  32670.45       671.8087 33357.18       
906.8640 31835.21       1000.131 398.2391 5.423995 388.9430 6.124800 9.296082 
8.181252 
1 1 1 -3  1   16 o 136.9978 2.367842  3938.682       135.6175 3991.491       
201.8544 3895.230       183.0987 137.8289 3.488341 136.1668 3.202840 1.662155 
4.735684 
1 1 1 -3  1   17 o 33.71126 6.904420  248.3780       94.35190 248.3780       
94.35190 0.000000       0.000000 33.71126 6.904420 ?        ?        ? ? 
1 1 1 -3  1   18 o 173.8548 2.637275  6359.646       190.8300 6392.281       
254.0792 6317.414       289.0366 174.3851 3.470411 173.3244 3.972044 1.060608 
5.274550 
1 1 1 -3  1   19 o 100.0466 2.014506  2102.393       84.14164 2114.415       
126.0003 2092.717       113.0404 100.2987 2.992246 99.79458 2.698035 0.5041351 
4.029011 
1 1 1 -3  1   20 o 151.7012 2.343377  4873.265       145.4797 4688.665       
231.0285 4994.561       187.2724 149.2690 3.686524 154.1335 2.893995 -4.864548 
4.686755 
1 1 1 -3  1   21 o 266.2258 2.989961  14892.33       333.5357 14240.17       
454.6220 15652.53       490.8385 259.9488 4.165659 272.5029 4.290309 -12.55414 
5.979922 
1 1 1 -3  1   22 o 49.78327 3.026127  525.0441       60.82878 514.3996       
100.3832 531.2208       76.46700 49.34889 4.845120 50.21765 3.626926 
-0.8687592     6.052255 
1 1 1 -3  1   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  1   24 o 100.4671 2.443004  2121.201       101.3362 2150.560       
158.8959 2101.074       131.5643 101.0231 3.746390 99.91110 3.136500 1.112022 
4.886007 
1 1 1 -3  1   25 o 76.37867 2.522831  1230.193       80.80158 1158.321       
114.0524 1302.618       114.4902 74.12927 3.664679 78.62807 3.468261 -4.498795 
5.045662 
1 1 1 -3  1   26 o 211.7504 3.623656  9521.646       318.1648 9447.441       
488.7495 9576.220       419.1357 210.8558 5.521054 212.6450 4.694837 -1.789261 
7.247312 
1 1 1 -3  1   27 o 97.58902 2.776273  1978.915       112.5519 2272.688       
175.4000 1773.276       146.7494 103.6140 4.032111 91.56408 3.817440 12.04987 
5.552546 
1 1 1 -3  1   28 f 51.20064 3.371427  558.4526       72.20995 498.2887       
100.8922 621.6376       103.3943 48.34056 4.971267 54.06072 4.555500 -5.720165 
6.742853 
1 1 1 -3  1   29 o 42.13149 4.127347  383.7671       72.69302 372.5458       
106.8936 393.4213       99.14957 41.49777 6.135470 42.76522 5.522315 -1.267452 
8.254693 
1 1 1 -3  1   30 o 24.25954 5.216912  110.4069       66.09827 12.72664       
89.48969 227.6683       98.04985 17.10205 7.230652 31.41703 7.522123 -14.31498 
10.43382 
1 1 1 -3  1   31 o 63.42339 3.002407  865.1804       79.80835 803.5626       
112.3473 927.9495       113.3920 61.09472 4.380060 65.75206 4.107658 -4.657337 
6.004813 
1 1 1 -3  1   32 o 134.9375 3.363979  3965.326       189.0186 3963.671       
285.7667 3966.613       252.0266 134.5962 5.057080 135.2787 4.437495 
-0.6825104     6.727958 
1 1 1 -3  1   33 o 70.02303 2.874359  1067.791       84.08563 1126.465       
115.6248 1001.928       122.5032 72.20775 3.814065 67.83831 4.301239 4.369438 
5.748717 
1 1 1 -3  1   34 o 44.32001 3.954802  439.2897       73.16010 381.0981       
98.78092 509.9924       108.8832 41.01775 5.736174 47.62228 5.445928 -6.604534 
7.909604 
1 1 1 -3  1   35 o 44.85260 4.706299  483.4526       85.47710 417.8683       
122.8357 545.0259       119.0203 41.09765 7.387931 48.60756 5.832278 -7.509911 
9.412598 
1 1 1 -3  1   36 o 49.31683 4.412364  587.2881       91.31784 565.0828       
127.4072 610.7459       130.9516 48.31635 6.280888 50.31732 6.198895 -2.000973 
8.824729 
1 1 1 -3  2   1  o 198.4617 1.794394  8267.069       149.2220 8328.534       
218.2936 8213.153       204.4496 199.1519 2.610824 197.7714 2.462317 1.380524 
3.588789 
1 1 1 -3  2   2  o 567.9100 10.59270  68089.70       2525.604 68089.70       
2525.604 0.000000       0.000000 567.9100 10.59270 ?        ?        ? ? 
1 1 1 -3  2   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  2   4  o 276.6152 2.686373  15973.45       302.0574 15682.22       
380.4073 16470.39       496.9116 273.2484 3.315982 279.9819 4.227369 -6.733459 
5.372745 
1 1 1 -3  2   5  o 227.0441 3.209323  10768.88       301.3073 11190.30       
472.6524 10480.39       391.0719 230.7455 4.878989 223.3428 4.170669 7.402679 
6.418646 
1 1 1 -3  2   6  o 205.4108 1.734459  8817.052       144.9101 8690.450       
182.8247 9031.003       237.6673 203.4445 2.140474 207.3772 2.729791 -3.932709 
3.468917 
1 1 1 -3  2   7  o 51.83494 1.624269  561.3193       35.23757 600.0323       
52.42529 529.4160       47.59155 53.45672 2.335929 50.21315 2.257529 3.243565 
3.248538 
1 1 1 -3  2   8  o 224.4350 3.218542  10565.86       301.9964 10787.27       
450.1738 10384.69       407.2237 226.5593 4.732814 222.3107 4.363085 4.248550 
6.437083 
1 1 1 -3  2   9  o 46.68966 1.822446  452.9437       35.43053 379.0287       
47.69977 543.9164       52.91825 42.48458 2.674275 50.89473 2.476588 -8.410152 
3.644891 
1 1 1 -3  2   10 o 295.6407 4.124424  18381.35       511.8902 18214.00       
725.8275 18546.96       722.0316 294.2981 5.874448 296.9834 5.790887 -2.685303 
8.248849 
1 1 1 -3  2   11 o 95.85152 1.649151  1927.599       66.29234 1897.322       
91.33887 1961.300       96.36607 95.05734 2.288711 96.64570 2.374995 -1.588356 
3.298302 
1 1 1 -3  2   12 o 542.6237 6.231328  62073.82       1378.121 62053.56       
2234.568 62086.27       1750.715 542.2771 9.815070 542.9703 7.679985 
-0.6931763     12.46266 
1 1 1 -3  2   13 o 294.7694 4.027137  18035.54       489.6031 17082.50       
628.7022 19504.16       780.4528 285.0437 5.253572 304.4952 6.105023 -19.45151 
8.054274 
1 1 1 -3  2   14 o 195.2824 2.172572  7976.643       176.7660 7754.319       
234.4562 8269.465       269.0736 192.1484 2.906337 198.4165 3.230089 -6.268036 
4.345143 
1 1 1 -3  2   15 o 309.0178 3.598578  20182.40       455.6323 19594.88       
722.9680 20569.51       586.8429 305.2083 5.642140 312.8274 4.468256 -7.619171 
7.197156 
1 1 1 -3  2   16 o 210.2950 3.667721  9338.540       301.3762 9201.140       
533.0561 9403.095       365.3777 209.0760 6.072812 211.5139 4.114568 -2.437881 
7.335442 
1 1 1 -3  2   17 o 392.3499 11.58801  32694.47       1908.804 0.000000       
0.000000 32694.47       1908.804 ?        ?        392.3499 11.58801 ? ? 
1 1 1 -3  2   18 o 145.0452 2.675359  4430.406       162.3286 4328.941       
238.4089 4518.100       221.6418 143.4840 3.957674 146.6064 3.600973 -3.122406 
5.350718 
1 1 1 -3  2   19 o 160.9235 1.915434  5408.330       127.2924 5620.742       
200.5697 5265.069       164.7167 163.5403 2.921203 158.3067 2.478331 5.233566 
3.830868 
1 1 1 -3  2   20 o 85.58514 1.954467  1527.946       69.48090 1616.781       
107.5567 1464.324       91.02185 87.69739 2.921271 83.47289 2.597295 4.224495 
3.908934 
1 1 1 -3  2   21 o 191.7895 2.450628  7827.950       189.4920 7420.191       
311.0411 8068.608       238.9550 187.7009 3.947050 195.8782 2.905703 -8.177338 
4.901257 
1 1 1 -3  2   22 o 21.83507 4.884357  97.83748       49.64594 114.9945       
76.94674 85.60188       64.98033 23.25677 7.171577 20.41336 6.632967 2.843403 
9.768714 
1 1 1 -3  2   23 o 112.8316 2.534559  2657.719       114.8314 2764.085       
194.7622 2601.041       142.1713 114.4912 4.051851 111.1720 3.046056 3.319260 
5.069118 
1 1 1 -3  2   24 o 138.9660 3.733052  4069.093       217.7968 0.000000       
0.000000 4069.093       217.7968 ?        ?        138.9660 3.733052 ? ? 
1 1 1 -3  2   25 o 47.45818 3.617937  482.7794       71.06197 424.9456       
105.5288 530.7621       96.12213 44.78612 5.612402 50.13024 4.567143 -5.344124 
7.235873 
1 1 1 -3  2   26 o 140.0127 3.024555  4099.381       175.9781 4440.481       
272.8350 3856.382       230.2823 144.9002 4.484892 135.1252 4.059246 9.775024 
6.049110 
1 1 1 -3  2   27 o 46.44369 3.758770  467.8783       71.67242 367.3708       
103.5085 560.4539       99.34016 41.47998 5.943721 51.40739 4.602781 -9.927410 
7.517541 
1 1 1 -3  2   28 o 59.69649 3.137480  758.7900       78.30856 679.2043       
110.6170 838.7452       110.8735 56.51446 4.662118 62.87851 4.199974 -6.364048 
6.274960 
1 1 1 -3  2   29 o 126.6131 2.907469  3408.923       154.5030 3463.639       
217.0193 3352.687       220.0120 127.6677 4.048912 125.5584 4.173705 2.109306 
5.814937 
1 1 1 -3  2   30 o 71.15829 3.003219  1085.603       88.83305 903.0441       
124.3796 1275.685       126.9166 64.93394 4.562453 77.38263 3.906574 -12.44868 
6.006438 
1 1 1 -3  2   31 o 71.02675 2.952745  1081.813       87.81490 1083.561       
128.9812 1080.302       119.8941 71.02528 4.325483 71.02821 4.020575 
-0.2922058E-02 5.905491 
1 1 1 -3  2   32 o 81.53876 2.846281  1430.416       97.40372 1379.784       
136.6378 1482.731       138.8891 80.05190 4.065560 83.02561 3.984530 -2.973717 
5.692562 
1 1 1 -3  2   33 o 24.31138 5.291827  128.0103       67.02197 32.06313       
94.51878 225.0394       95.05019 18.01041 7.512727 30.61235 7.454709 -12.60194 
10.58365 
1 1 1 -3  2   34 o 41.47983 4.662854  407.4532       77.39143 464.7235       
105.3098 340.2046       114.1158 45.50837 5.511865 37.45129 7.522511 8.057079 
9.325708 
1 1 1 -3  2   35 o 19.30592 5.732498  48.66418       78.52561 54.45929       
114.5488 43.52637       107.8570 19.71836 8.250763 18.89347 7.960593 0.8248825 
11.46500 
1 1 1 -3  2   36 f 66.56898 3.588220  1014.029       99.62065 874.8458       
138.4977 1163.240       143.3999 61.51332 5.362836 71.62464 4.768782 -10.11132 
7.176440 
1 1 1 -3  2   37 o 19.36832 5.838224  60.78936       85.60931 113.1244       
121.1999 8.678407       120.9402 21.39304 8.663554 17.34360 7.828299 4.049442 
11.67645 
1 1 1 -3  3   1  f 276.2836 3.647883  16028.21       421.7799 16252.90       
623.8155 15839.00       572.4615 278.0517 5.343819 274.5155 4.967073 3.536194 
7.295767 
1 1 1 -3  3   2  o 470.6360 4.479248  46179.01       858.2499 44959.32       
1081.534 48253.28       1410.419 462.4264 5.570816 478.8456 7.015743 -16.41925 
8.958495 
1 1 1 -3  3   3  o 406.0234 2.628817  34496.09       440.9708 33897.23       
572.2806 35371.33       691.8492 401.7264 3.393124 410.3203 4.016147 -8.593842 
5.257635 
1 1 1 -3  3   4  o 39.29735 1.648342  323.0021       27.13909 351.6358       
39.74831 297.9966       37.14477 40.92257 2.313539 37.67213 2.348543 3.250439 
3.296683 
1 1 1 -3  3   5  o 117.9342 1.904605  2839.488       92.14817 2567.189       
116.3806 3297.055       150.8640 110.5694 2.507072 125.2990 2.867867 -14.72963 
3.809209 
1 1 1 -3  3   6  o 268.0845 4.025651  15090.57       452.5653 14702.02       
622.2908 15526.79       659.3651 264.4333 5.605291 271.7357 5.779635 -7.302307 
8.051303 
1 1 1 -3  3   7  o 105.9133 1.428348  2344.547       63.30186 2231.466       
85.40295 2482.420       94.30181 103.0926 1.973179 108.7341 2.065738 -5.641533 
2.856696 
1 1 1 -3  3   8  o 335.4819 2.242714  23405.48       305.8428 22741.65       
384.3245 24551.85       505.0506 329.0791 2.781755 341.8847 3.518651 -12.80566 
4.485428 
1 1 1 -3  3   9  o 151.9112 1.784151  4785.223       110.9067 4588.623       
140.5095 5110.140       180.6344 147.8289 2.263954 155.9935 2.758131 -8.164673 
3.568301 
1 1 1 -3  3   10 o 131.3845 1.570179  3630.920       86.04440 3566.269       
128.6707 3683.219       115.7263 130.3226 2.351694 132.4464 2.081197 -2.123764 
3.140357 
1 1 1 -3  3   11 f 188.5691 2.926249  7469.797       230.1160 7482.287       
346.1540 7459.907       308.0370 188.7005 4.369356 188.4377 3.893643 0.2627869 
5.852498 
1 1 1 -3  3   12 o 336.1731 2.475760  23757.37       349.0334 23289.31       
502.6564 24193.18       485.0307 332.9670 3.595763 339.3792 3.404122 -6.412140 
4.951520 
1 1 1 -3  3   13 o 561.4739 7.066867  66662.55       1656.529 65434.50       
2464.308 67674.90       2237.458 556.5696 10.54621 566.3781 9.409565 -9.808472 
14.13373 
1 1 1 -3  3   14 o 37.56166 2.702665  297.7898       42.27905 253.4122       
59.57929 342.8055       60.00619 34.72744 4.086425 40.39588 3.538181 -5.668438 
5.405330 
1 1 1 -3  3   15 o 279.5635 3.724560  16427.64       435.0476 16515.11       
648.6401 16356.12       586.5371 280.2158 5.513562 278.9112 5.008995 1.304626 
7.449121 
1 1 1 -3  3   16 o 574.2172 12.70578  70743.09       3017.582 71322.59       
4693.208 70334.67       3939.952 575.1072 19.43757 573.3271 16.36852 1.780029 
25.41156 
1 1 1 -3  3   17 o 300.4126 4.858382  18476.94       512.1961 20019.44       
1098.741 18048.67       578.9508 307.8768 8.500402 292.9483 4.707298 14.92847 
9.716763 
1 1 1 -3  3   18 o 292.8157 4.677178  17963.17       522.7285 18359.32       
972.4053 17802.16       619.9164 294.8024 7.856648 290.8289 5.077111 3.973511 
9.354356 
1 1 1 -3  3   19 o 140.7887 2.821501  4084.285       157.9475 4431.075       
276.1556 3915.688       192.5513 145.0981 4.533288 136.4794 3.360473 8.618698 
5.643003 
1 1 1 -3  3   20 o 98.61887 2.115491  2045.371       86.80141 2038.199       
131.7728 2050.869       115.3679 98.45648 3.187883 98.78125 2.781836 
-0.3247681     4.230982 
1 1 1 -3  3   21 o 106.3258 2.098703  2390.099       92.56667 2288.939       
140.6100 2467.474       122.9736 104.3135 3.210678 108.3381 2.703657 -4.024567 
4.197405 
1 1 1 -3  3   22 o 193.2930 2.547776  7899.654       205.0678 7599.137       
307.0496 8141.631       275.5243 189.9172 3.850926 196.6687 3.336919 -6.751495 
5.095553 
1 1 1 -3  3   23 o 71.69763 2.282190  1073.902       67.09871 1120.065       
108.0968 1044.966       85.58224 72.92138 3.530848 70.47388 2.892521 2.447495 
4.564380 
1 1 1 -3  3   24 o 245.7488 4.333244  12855.82       423.2253 12647.02       
723.2028 12964.58       521.9319 243.8203 7.064985 247.6774 5.019363 -3.857025 
8.666489 
1 1 1 -3  3   25 o 81.12624 2.867244  1386.397       97.30980 1406.764       
144.2844 1369.404       131.7957 81.65757 4.208661 80.59492 3.895064 1.062653 
5.734488 
1 1 1 -3  3   26 o 123.4079 4.146249  3216.009       214.8212 3216.009       
214.8212 0.000000       0.000000 123.4079 4.146249 ?        ?        ? ? 
1 1 1 -3  3   27 o 172.0042 3.789503  6284.533       273.4185 6455.195       
396.7181 6130.125       377.3525 174.1988 5.424478 169.8097 5.293048 4.389145 
7.579005 
1 1 1 -3  3   28 o 111.1192 2.898140  2616.617       135.1348 2728.457       
192.1634 2507.197       190.0727 113.4848 4.033239 108.7536 4.162913 4.731232 
5.796280 
1 1 1 -3  3   29 o 91.63306 2.524120  1777.977       97.07304 1796.583       
139.3611 1760.441       135.2933 92.09058 3.604519 91.17554 3.534426 0.9150391 
5.048240 
1 1 1 -3  3   30 o 70.40988 2.930547  1057.085       86.60996 1066.166       
121.5663 1047.723       123.4249 70.73016 4.093827 70.08960 4.194403 0.6405640 
5.861095 
1 1 1 -3  3   31 o 137.7171 3.272690  4087.678       188.7721 4198.849       
260.5096 3964.764       273.9234 139.8278 4.437632 135.6064 4.811385 4.221405 
6.545380 
1 1 1 -3  3   32 o 36.33022 4.727188  297.8056       70.44221 335.5177       
103.3968 265.1406       96.22958 38.85282 6.338778 33.80761 7.014635 5.045216 
9.454375 
1 1 1 -3  3   33 o 43.37711 4.321699  425.1765       77.82228 476.3846       
107.6879 369.1997       112.5904 46.38326 5.530020 40.37097 6.642831 6.012287 
8.643398 
1 1 1 -3  3   34 o 53.02696 4.081516  632.6845       90.86245 626.6968       
127.9675 638.7728       129.0370 52.77162 5.775908 53.28231 5.768360 
-0.5106888     8.163032 
1 1 1 -3  3   35 o 60.54172 3.658601  822.6578       92.92796 859.0313       
131.8033 786.7043       131.0400 61.95238 5.067448 59.13107 5.278485 2.821312 
7.317201 
1 1 1 -3  3   36 o 23.50825 6.024721  127.9334       79.04913 206.6504       
119.4408 66.58092       105.4471 27.49307 8.992766 19.52344 8.019924 7.969627 
12.04944 
1 1 1 -3  3   37 o 61.77980 3.788270  897.5838       98.20557 861.9255       
138.0960 934.0674       139.6849 60.43163 5.442995 63.12798 5.270463 -2.696346 
7.576540 
1 1 1 -3  4   1  o 472.3460 4.389142  46900.65       869.6093 47512.99       
1260.357 46344.27       1201.387 475.2705 6.316462 469.4215 6.095946 5.849030 
8.778283 
1 1 1 -3  4   2  o 198.3236 1.934933  8221.739       159.2876 8017.492       
208.8930 8505.488       246.2132 195.3993 2.546372 201.2479 2.914078 -5.848526 
3.869865 
1 1 1 -3  4   3  o 675.7797 6.477120  95723.56       1779.182 98458.79       
2924.789 94116.87       2241.634 683.0542 10.19907 668.5052 7.986950 14.54901 
12.95424 
1 1 1 -3  4   4  o 144.2307 1.651054  4360.379       99.75659 4259.612       
135.9828 4477.801       146.7905 142.4306 2.274060 146.0308 2.394278 -3.600174 
3.302107 
1 1 1 -3  4   5  o 372.2614 4.896163  29131.00       764.1555 28619.02       
1049.562 29708.53       1114.739 368.8032 6.778512 375.7195 7.066923 -6.916321 
9.792325 
1 1 1 -3  4   6  o 95.42702 1.607699  1909.469       64.36158 1814.923       
89.27892 2011.772       92.86926 92.97082 2.287301 97.88323 2.259876 -4.912415 
3.215399 
1 1 1 -3  4   7  o 301.4837 4.472187  19073.46       565.0743 18390.38       
772.0004 19861.79       829.3498 295.6933 6.218663 307.2740 6.428845 -11.58069 
8.944374 
1 1 1 -3  4   8  o 156.1371 2.540454  5121.361       166.5082 5091.943       
237.0722 5150.001       233.9157 155.6935 3.626863 156.5806 3.558299 
-0.8870697     5.080908 
1 1 1 -3  4   9  o 391.2288 5.898392  32234.85       968.1851 32531.30       
1397.486 31961.22       1342.604 392.9360 8.471233 389.5216 8.209890 3.414398 
11.79678 
1 1 1 -3  4   10 o 138.3599 1.908102  4022.334       110.7135 3968.189       
159.8117 4072.301       153.5226 137.4627 2.769139 139.2571 2.625888 -1.794403 
3.816205 
1 1 1 -3  4   11 o 155.4547 2.095892  5077.083       136.7131 4880.057       
193.2925 5274.309       193.3905 152.4344 3.020322 158.4751 2.906666 -6.040726 
4.191784 
1 1 1 -3  4   12 o 583.0676 4.494754  71083.00       1071.179 69652.09       
1360.388 73417.72       1737.703 575.5308 5.630089 590.6044 7.008093 -15.07361 
8.989509 
1 1 1 -3  4   13 o 310.6621 4.302042  20282.96       556.6622 20448.88       
843.4725 20154.93       740.9354 311.7472 6.444504 309.5770 5.700758 2.170166 
8.604085 
1 1 1 -3  4   14 o 475.6731 4.059070  47593.59       809.9753 47501.29       
1168.303 47679.01       1123.941 475.2101 5.855861 476.1361 5.622551 
-0.9259644     8.118139 
1 1 1 -3  4   15 o 181.3333 2.772897  6890.006       205.1992 6990.621       
332.9007 6828.354       260.5920 182.3776 4.347747 180.2890 3.442809 2.088577 
5.545795 
1 1 1 -3  4   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  4   17 o 218.5360 3.079923  10150.46       260.4211 9756.719       
465.9676 10329.30       314.0453 215.3517 5.153812 221.7204 3.373710 -6.368713 
6.159845 
1 1 1 -3  4   18 o 213.2922 2.915610  9541.514       256.6712 9698.935       
403.1736 9434.230       332.8327 214.7359 4.472070 211.8486 3.742153 2.887299 
5.831219 
1 1 1 -3  4   19 o 224.8770 4.060441  10468.79       354.0547 11152.51       
647.0349 10176.58       423.0021 229.8591 6.704820 219.8949 4.581932 9.964203 
8.120881 
1 1 1 -3  4   20 o 106.2801 2.367388  2387.313       104.8872 2256.596       
155.3254 2496.881       142.2071 103.5795 3.571822 108.9807 3.108083 -5.401268 
4.734775 
1 1 1 -3  4   21 o 152.9085 2.564419  4933.095       162.3641 4843.526       
250.0802 4998.363       213.4750 151.6718 3.927312 154.1451 3.298666 -2.473236 
5.128838 
1 1 1 -3  4   22 o 209.7319 3.040503  9232.276       251.1826 9397.112       
440.9766 9153.108       305.6052 210.9538 4.979083 208.5101 3.491040 2.443726 
6.081005 
1 1 1 -3  4   23 o 138.3314 2.100098  4017.242       120.7124 4090.503       
185.1851 3963.114       159.1776 139.4031 3.164132 137.2597 2.762231 2.143448 
4.200197 
1 1 1 -3  4   24 o 75.79587 2.380438  1210.499       74.48782 1205.064       
116.3045 1214.278       96.98989 75.63028 3.662874 75.96146 3.041265 
-0.3311768     4.760876 
1 1 1 -3  4   25 o 160.8923 3.208637  5488.893       211.4985 5353.506       
336.0139 5577.725       272.1799 159.1374 5.029284 162.6472 3.985939 -3.509796 
6.417274 
1 1 1 -3  4   26 o 192.2093 3.748234  7927.580       290.9601 7438.869       
473.9668 8223.130       368.5853 187.1353 6.032720 197.2832 4.450091 -10.14789 
7.496467 
1 1 1 -3  4   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  4   28 o 53.38368 3.433724  606.4650       76.65759 599.3892       
113.1421 612.4694       104.2263 53.06380 5.078634 53.70356 4.622697 
-0.6397552     6.867449 
1 1 1 -3  4   29 o 109.4795 2.743099  2537.499       124.8495 2513.924       
165.0794 2569.005       190.8356 108.9598 3.608672 109.9992 4.132294 -1.039330 
5.486198 
1 1 1 -3  4   30 o 44.75706 4.041856  432.2381       75.89570 453.4072       
107.9497 411.5462       106.7262 45.86384 5.606248 43.65029 5.823779 2.213547 
8.083713 
1 1 1 -3  4   31 o 73.71601 2.921032  1158.268       90.18226 1216.569       
133.2899 1109.048       122.4700 75.39439 4.210941 72.03764 4.049405 3.356750 
5.842063 
1 1 1 -3  4   32 o 28.52298 5.590495  191.8218       69.25864 195.2944       
95.41386 187.9544       100.6922 28.81253 7.726908 28.23343 8.081425 0.5790997 
11.18099 
1 1 1 -3  4   33 o 82.60753 2.813653  1470.019       97.53376 1434.485       
135.3578 1508.392       140.6623 81.58495 3.951794 83.63010 4.006232 -2.045158 
5.627306 
1 1 1 -3  4   34 f 32.84076 5.484375  255.8867       80.36183 391.4145       
118.0104 138.6944       109.7376 41.25227 6.813863 24.42924 8.595624 16.82303 
10.96875 
1 1 1 -3  4   35 f 25.80320 6.304899  162.5890       84.65643 116.1686       
117.6399 212.4482       121.9193 22.99499 8.765208 28.61141 9.065215 -5.616423 
12.60980 
1 1 1 -3  4   36 o 46.61361 4.603573  518.3337       88.97710 565.0732       
121.4499 464.1812       130.7269 49.40487 5.855290 43.82234 7.105429 5.582527 
9.207146 
1 1 1 -3  4   37 o 43.34479 4.905097  469.9117       89.15279 462.3839       
122.8256 478.2940       129.6100 43.13179 6.782851 43.55779 7.087511 
-0.4259911     9.810193 
1 1 1 -3  5   1  o 191.5462 2.081170  7658.184       162.9822 7909.232       
264.2181 7503.988       207.0712 194.0557 3.243078 189.0368 2.609123 5.018906 
4.162340 
1 1 1 -3  5   2  o 168.1528 1.865624  5913.515       131.2918 5652.580       
177.3844 6229.651       195.2477 164.0686 2.575200 172.2371 2.700102 -8.168488 
3.731247 
1 1 1 -3  5   3  o 581.2057 5.105934  71085.91       1245.312 71500.27       
1791.225 70698.27       1732.515 582.8233 7.320393 579.5881 7.119979 3.235229 
10.21187 
1 1 1 -3  5   4  o 367.7391 2.569150  28018.80       371.6796 27325.54       
449.8979 29509.11       659.6356 360.7133 2.970796 374.7649 4.192433 -14.05164 
5.138300 
1 1 1 -3  5   5  o 188.6669 2.050881  7475.382       162.1573 7473.449       
236.4921 7477.096       222.7725 188.6415 2.986073 188.6924 2.812084 
-0.5088806E-01 4.101762 
1 1 1 -3  5   6  o 249.7701 3.115815  13053.79       323.4315 13485.02       
497.3701 12737.83       425.7406 253.3136 4.676729 246.2267 4.118424 7.086975 
6.231630 
1 1 1 -3  5   7  o 198.2565 1.970094  8069.467       155.1119 7710.872       
188.7176 8816.154       272.3198 191.6311 2.345673 204.8819 3.165897 -13.25076 
3.940188 
1 1 1 -3  5   8  o 294.4949 2.658089  18027.69       314.8926 18878.21       
532.8624 17571.29       390.3409 299.7474 4.234291 289.2423 3.214425 10.50510 
5.316178 
1 1 1 -3  5   9  o 105.3362 1.486463  2304.521       65.15924 2152.349       
85.60509 2514.116       100.4670 101.2479 2.013884 109.4245 2.186907 -8.176514 
2.972926 
1 1 1 -3  5   10 o 177.5561 2.548157  6593.479       189.2368 6310.254       
254.7630 6942.094       282.6461 173.3243 3.501046 181.7878 3.703388 -8.463470 
5.096313 
1 1 1 -3  5   11 o 407.0353 3.267674  34680.11       552.0899 33932.27       
724.5089 35715.72       852.5775 401.8546 4.294334 412.2160 4.926404 -10.36148 
6.535347 
1 1 1 -3  5   12 o 211.0573 2.168199  9125.686       175.8463 8804.298       
208.2639 9923.788       328.1929 204.7639 2.422600 217.3507 3.596575 -12.58684 
4.336397 
1 1 1 -3  5   13 o 426.7526 4.538855  38175.88       785.1519 38865.08       
1296.555 37776.79       986.6272 429.6566 7.187710 423.8485 5.544514 5.808136 
9.077709 
1 1 1 -3  5   14 o 370.2347 5.073253  28918.88       776.7426 28530.23       
1203.206 29196.58       1017.066 367.9968 7.787838 372.4726 6.503933 -4.475830 
10.14651 
1 1 1 -3  5   15 o 35.69032 4.370245  271.3645       64.15260 284.1878       
94.13937 260.2462       87.65793 36.75044 6.101404 34.63019 6.258518 2.120251 
8.740491 
1 1 1 -3  5   16 o 399.2095 6.255887  33549.63       978.5820 33892.21       
1731.851 33388.94       1186.078 400.3095 10.30471 398.1095 7.096299 2.200043 
12.51177 
1 1 1 -3  5   17 o 206.6593 3.390990  8944.701       260.4461 9062.940       
505.1200 8901.883       303.9675 207.4952 5.798392 205.8234 3.517658 1.671814 
6.781981 
1 1 1 -3  5   18 o 124.9292 2.402854  3203.128       115.7187 3473.056       
214.6155 3092.486       137.4031 128.5268 3.977300 121.3316 2.697389 7.195190 
4.805707 
1 1 1 -3  5   19 o 243.1971 3.462172  12492.33       347.4811 12224.07       
540.7292 12681.04       453.5191 240.8981 5.346476 245.4961 4.400197 -4.598022 
6.924344 
1 1 1 -3  5   20 o 133.1696 2.661997  3736.414       142.0765 3711.370       
239.3243 3750.043       176.5544 132.7817 4.293086 133.5575 3.148701 
-0.7758026     5.323993 
1 1 1 -3  5   21 o 74.51247 2.289375  1131.938       69.54874 1315.584       
115.9989 1028.871       86.90040 79.07370 3.494162 69.95123 2.959017 9.122475 
4.578750 
1 1 1 -3  5   22 f 229.6812 3.562412  10900.04       322.7773 11835.63       
573.3510 10465.94       390.5446 236.5287 5.773746 222.8337 4.174562 13.69505 
7.124824 
1 1 1 -3  5   23 o 133.3833 2.446230  3706.442       134.1681 3941.046       
215.2535 3557.389       171.5747 136.7604 3.748960 130.0061 3.143479 6.754303 
4.892460 
1 1 1 -3  5   24 o 92.63359 2.155027  1810.701       83.02822 1768.618       
125.5401 1843.420       110.6952 91.65735 3.262394 93.60984 2.816621 -1.952492 
4.310054 
1 1 1 -3  5   25 o 111.2173 2.518613  2613.630       115.7305 2559.072       
179.4536 2652.478       151.4276 110.1846 3.879290 112.2500 3.213214 -2.065399 
5.037225 
1 1 1 -3  5   26 o 49.92467 3.050533  522.2656       63.00435 549.1211       
98.89700 503.9206       81.73831 50.97530 4.621090 48.87404 3.983534 2.101254 
6.101067 
1 1 1 -3  5   27 o 22.93373 5.609381  80.17056       61.97342 168.8817       
116.4893 45.15035       73.19075 28.02925 8.859035 17.83820 6.883175 10.19105 
11.21876 
1 1 1 -3  5   28 o 130.1095 4.407699  3589.759       240.7685 0.000000       
0.000000 3589.759       240.7685 ?        ?        130.1095 4.407699 ? ? 
1 1 1 -3  5   29 o 67.42619 3.126699  960.0201       88.14606 1090.173       
130.1958 849.8758       119.7705 71.63537 4.329029 63.21700 4.512704 8.418365 
6.253398 
1 1 1 -3  5   30 o 110.9450 3.037584  2612.947       141.2274 2448.797       
192.9937 2802.181       207.2152 107.2106 4.287720 114.6794 4.303851 -7.468788 
6.075169 
1 1 1 -3  5   31 o 85.40720 2.708366  1548.639       96.90051 1648.593       
142.9406 1463.645       131.8110 87.93304 3.871904 82.88136 3.788052 5.051674 
5.416732 
1 1 1 -3  5   32 o 119.9616 2.971586  3091.709       149.6023 3073.772       
214.2117 3108.787       209.0230 119.5797 4.266843 120.3434 4.137068 
-0.7637329     5.943172 
1 1 1 -3  5   33 o 69.34470 3.268805  1044.179       94.92310 1037.377       
129.5558 1052.062       139.4755 69.18175 4.460529 69.50765 4.779541 
-0.3259048     6.537609 
1 1 1 -3  5   34 o 62.76233 3.567732  868.0136       93.96371 850.1415       
130.4448 887.2882       135.4670 62.11727 5.001904 63.40739 5.088791 -1.290127 
7.135464 
1 1 1 -3  5   35 o 101.8719 3.130073  2274.736       133.4238 2223.192       
180.6425 2336.611       197.9179 100.7614 4.270189 102.9824 4.577654 -2.221077 
6.260146 
1 1 1 -3  5   36 f 26.19555 6.356973  178.1474       85.23348 210.5332       
120.0679 145.2489       121.0144 28.11007 9.005259 24.28104 8.974950 3.829033 
12.71395 
1 1 1 -3  5   37 o 21.56123 5.866547  67.88080       88.89133 -88.48629      
125.3548 226.0393       126.0709 15.22023 7.232332 27.90222 9.238985 -12.68200 
11.73309 
1 1 1 -3  6   1  o 436.3229 3.814648  40003.32       698.5702 39244.69       
973.3817 40809.05       1003.145 432.0628 5.366083 440.5831 5.423219 -8.520325 
7.629296 
1 1 1 -3  6   2  o 264.5818 3.308920  14695.64       367.3293 15158.26       
531.0530 14271.24       508.6359 268.5681 4.709823 260.5954 4.649019 7.972656 
6.617840 
1 1 1 -3  6   3  o 190.3253 2.244617  7587.332       179.0722 7251.449       
244.9480 7972.926       262.4496 185.8141 3.139904 194.8365 3.208460 -9.022400 
4.489233 
1 1 1 -3  6   4  o 71.48505 1.456488  1073.685       43.65136 1057.382       
63.14997 1088.602       60.40611 70.96457 2.119594 72.00552 1.998187 -1.040947 
2.912976 
1 1 1 -3  6   5  o 102.5419 1.603320  2198.807       68.37799 2271.898       
104.8328 2144.687       90.20873 104.0174 2.400559 101.0665 2.125996 2.950874 
3.206641 
1 1 1 -3  6   6  o 96.70480 1.696607  1963.795       68.87640 1972.644       
96.89842 1954.759       97.92152 96.92521 2.381228 96.48440 2.417364 0.4408112 
3.393214 
1 1 1 -3  6   7  o 198.3668 2.866004  8264.588       238.4870 8326.930       
344.9392 8207.497       330.0936 199.0801 4.127012 197.6534 3.977900 1.426712 
5.732008 
1 1 1 -3  6   8  o 133.0890 2.160800  3678.772       119.5206 3449.185       
156.4017 4001.059       185.3057 128.1560 2.906857 138.0220 3.197876 -9.865982 
4.321601 
1 1 1 -3  6   9  f 271.9091 3.586733  15541.07       409.4460 15569.83       
577.9478 15512.10       580.1464 272.1626 5.058027 271.6556 5.086746 0.5070496 
7.173467 
1 1 1 -3  6   10 o 340.8063 3.820324  24423.18       544.5781 24465.91       
739.2458 24372.46       805.2845 341.1552 5.161287 340.4574 5.633881 0.6977844 
7.640648 
1 1 1 -3  6   11 o 335.7672 4.776024  23729.33       672.8923 23544.19       
965.6296 23904.10       938.1906 334.4788 6.876430 337.0555 6.629956 -2.576752 
9.552048 
1 1 1 -3  6   12 o 400.1640 5.522179  33737.35       926.9877 33450.82       
1335.024 34004.10       1288.149 398.4934 7.979743 401.8346 7.635545 -3.341125 
11.04436 
1 1 1 -3  6   13 o 287.6741 2.946834  17394.50       355.7800 16908.64       
504.1518 17876.52       502.1520 283.6666 4.233252 291.6817 4.100598 -8.015045 
5.893668 
1 1 1 -3  6   14 o 257.2938 3.863792  14023.89       389.0811 13636.28       
683.7399 14209.51       473.1597 254.5597 6.397676 260.0279 4.334199 -5.468155 
7.727583 
1 1 1 -3  6   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  6   16 o 103.4943 2.396467  2225.763       100.1731 2338.799       
168.0789 2163.494       124.7497 105.4991 3.794768 101.4894 2.927791 4.009773 
4.792934 
1 1 1 -3  6   17 o 187.1552 3.289334  7395.622       255.0506 7175.087       
390.7489 7559.325       336.6573 184.6854 5.039486 189.6250 4.228765 -4.939545 
6.578668 
1 1 1 -3  6   18 o 87.19125 2.345248  1599.987       83.34717 1587.514       
134.9021 1607.688       105.9981 86.90453 3.697407 87.47796 2.886161 
-0.5734253     4.690495 
1 1 1 -3  6   19 f 76.52720 2.213748  1236.469       67.57964 1212.542       
114.6171 1249.220       83.67064 75.94270 3.594879 77.11170 2.584484 -1.169006 
4.427495 
1 1 1 -3  6   20 o 114.0285 1.967501  2736.193       92.01006 2715.824       
146.4745 2749.468       118.2526 113.6631 3.069470 114.3938 2.462234 
-0.7306519     3.935002 
1 1 1 -3  6   21 o 109.7930 2.202718  2552.156       100.6479 2380.670       
149.5218 2694.233       136.0986 106.3824 3.347770 113.2035 2.863616 -6.821098 
4.405435 
1 1 1 -3  6   22 o 185.9886 2.579762  7046.223       175.2271 7768.020       
356.1093 6815.625       201.2806 191.9354 4.419258 180.0419 2.662866 11.89343 
5.159524 
1 1 1 -3  6   23 o 160.0658 2.679187  5381.852       167.4906 5445.649       
298.4172 5352.513       202.3720 160.6447 4.424645 159.4868 3.022365 1.157990 
5.358375 
1 1 1 -3  6   24 o 193.5266 3.415305  7936.517       276.4292 7560.544       
402.9246 8270.829       379.9464 189.1197 5.074673 197.9334 4.572190 -8.813751 
6.830610 
1 1 1 -3  6   25 o 37.95799 3.732684  302.0512       58.62584 320.2465       
92.10048 289.6566       76.01485 38.89018 5.640829 37.02581 4.890069 1.864376 
7.465369 
1 1 1 -3  6   26 o 126.1443 2.846782  3298.138       141.3109 3524.624       
251.3808 3193.504       170.8628 129.1532 4.636047 123.1354 3.305108 6.017815 
5.693564 
1 1 1 -3  6   27 o 79.24309 2.418014  1281.745       77.42220 1478.341       
132.0462 1178.753       95.57413 83.68710 3.758275 74.79909 3.043442 8.888008 
4.836029 
1 1 1 -3  6   28 o 73.21874 2.569016  1133.546       77.07571 1129.868       
123.0880 1135.918       98.85612 73.06754 4.012475 73.36995 3.209271 
-0.3024139     5.138033 
1 1 1 -3  6   29 o 112.0198 3.023125  2671.918       140.0381 2616.945       
216.4246 2711.511       183.6698 110.9112 4.647851 113.1283 3.867119 -2.217117 
6.046249 
1 1 1 -3  6   30 o 25.41430 8.272080  139.9428       101.0638 139.9428       
101.0638 0.000000       0.000000 25.41430 8.272080 ?        ?        ? ? 
1 1 1 -3  6   31 o 47.95049 3.609112  494.7991       72.62155 515.5110       
104.3510 475.3464       101.1295 48.92847 5.079912 46.97250 5.128084 1.955971 
7.218224 
1 1 1 -3  6   32 o 21.65347 5.594280  88.60074       67.56187 53.70029       
95.46751 123.6175       95.62652 19.52078 7.774189 23.78615 8.046482 -4.265371 
11.18856 
1 1 1 -3  6   33 o 50.63722 4.019910  567.0309       84.90571 551.9883       
126.3395 579.4204       114.6582 49.86774 6.034490 51.40671 5.312593 -1.538967 
8.039821 
1 1 1 -3  6   34 o 62.24231 3.425801  847.2657       89.21325 755.2826       
122.9776 949.4494       129.6173 58.60018 4.998596 65.88444 4.685987 -7.284256 
6.851602 
1 1 1 -3  6   35 o 87.18542 3.334887  1678.383       121.5481 1696.740       
165.1637 1656.695       179.5226 87.91639 4.474720 86.45445 4.945985 1.461937 
6.669774 
1 1 1 -3  6   36 o 28.90707 5.875168  217.0310       82.87106 319.9878       
114.0315 101.7902       120.6425 35.67340 7.827179 22.14074 8.763885 13.53266 
11.75034 
1 1 1 -3  6   37 o 42.76423 5.313371  437.1074       89.86702 219.4120       
114.9108 779.9284       144.2016 28.08897 8.784684 57.43949 5.979714 -29.35052 
10.62674 
1 1 1 -3  6   38 o 30.14851 6.167735  252.0254       87.04681 149.9741       
114.3745 392.5059       134.1924 23.20748 8.695771 37.08955 8.749137 -13.88206 
12.33547 
1 1 1 -3  7   1  o 148.5276 1.738464  4634.402       108.2810 4678.983       
149.9872 4585.875       156.4842 149.2751 2.393248 147.7800 2.522179 1.495102 
3.476927 
1 1 1 -3  7   2  o 122.5945 1.720713  3087.978       86.97093 2822.697       
111.1068 3507.694       139.7544 115.9444 2.282506 129.2447 2.575573 -13.30028 
3.441426 
1 1 1 -3  7   3  o 363.2778 3.113988  27527.81       465.0610 26770.29       
595.9225 28707.85       743.7715 356.9655 3.976350 369.5901 4.793363 -12.62463 
6.227976 
1 1 1 -3  7   4  o 214.8846 1.592512  9436.890       128.6590 9131.964       
150.2262 10276.07       249.2163 208.5570 1.715702 221.2121 2.683420 -12.65511 
3.185023 
1 1 1 -3  7   5  o 107.4544 1.896914  2384.915       84.48789 2191.871       
109.4712 2669.287       132.8662 102.1669 2.552175 112.7419 2.807050 -10.57496 
3.793828 
1 1 1 -3  7   6  o 157.0434 2.115721  5144.726       138.1809 4941.013       
181.7702 5423.626       212.6858 153.3891 2.822599 160.6976 3.152464 -7.308487 
4.231441 
1 1 1 -3  7   7  o 336.8602 4.193603  23841.26       592.5456 23369.70       
817.6607 24362.80       859.9066 333.3646 5.842177 340.3557 6.017821 -6.991180 
8.387205 
1 1 1 -3  7   8  o 68.21368 1.737536  975.1093       49.69199 907.0546       
68.71861 1049.699       71.94234 65.72374 2.490423 70.70362 2.423617 -4.979881 
3.475072 
1 1 1 -3  7   9  o 198.1046 2.000141  8123.762       159.6831 7838.024       
197.9802 8655.683       270.1226 193.2018 2.440797 203.0074 3.169349 -9.805649 
4.000283 
1 1 1 -3  7   10 o 170.7961 2.646493  6103.947       187.6391 6285.757       
289.6738 5972.512       246.2957 172.9701 3.988955 168.6221 3.479072 4.347992 
5.292986 
1 1 1 -3  7   11 o 224.3308 2.027168  10573.08       190.6844 10475.29       
275.9671 10662.42       263.7823 223.3351 2.943211 225.3265 2.788396 -1.991379 
4.054337 
1 1 1 -3  7   12 o 569.6449 6.517971  68491.13       1549.923 67933.07       
2313.859 68945.31       2087.432 567.3909 9.713495 571.8989 8.693892 -4.507935 
13.03594 
1 1 1 -3  7   13 o 85.49326 1.950488  1532.277       69.80016 1568.558       
103.2775 1501.769       94.70348 86.42202 2.846443 84.56450 2.667466 1.857521 
3.900976 
1 1 1 -3  7   14 o 131.4736 2.756866  3593.971       139.2474 3725.567       
257.1438 3539.371       165.6346 133.1348 4.600505 129.8124 3.039176 3.322372 
5.513731 
1 1 1 -3  7   15 o 178.1263 2.526346  6557.661       158.7653 6866.580       
335.4994 6468.520       180.2218 180.7460 4.421239 175.5065 2.445881 5.239517 
5.052691 
1 1 1 -3  7   16 o 284.1212 5.082962  17056.44       588.4019 16811.30       
951.5128 17208.22       748.7223 282.3322 8.027408 285.9102 6.237525 -3.577972 
10.16592 
1 1 1 -3  7   17 o 303.0682 3.063199  18830.83       287.2210 20029.61       
724.1702 18607.05       312.8828 308.4906 5.591391 297.6459 2.503819 10.84470 
6.126399 
1 1 1 -3  7   18 o 173.8044 2.425167  6418.174       171.5272 6053.661       
274.9232 6650.501       219.4854 169.6924 3.858958 177.9164 2.938400 -8.223953 
4.850335 
1 1 1 -3  7   19 o 134.8753 2.462939  3689.448       130.6862 4207.023       
235.8055 3459.999       157.0039 141.4320 3.971251 128.3186 2.914351 13.11334 
4.925879 
1 1 1 -3  7   20 o 257.8151 4.429511  14014.12       445.4359 14092.79       
794.1335 13978.01       538.0453 258.0628 7.329750 257.5673 4.975643 0.4955750 
8.859021 
1 1 1 -3  7   21 o 215.1867 2.908806  9803.794       249.7792 9579.358       
422.8236 9924.100       309.5688 213.1765 4.724339 217.1969 3.394882 -4.020416 
5.817612 
1 1 1 -3  7   22 f 130.4592 2.754999  3525.137       142.4313 3765.446       
249.8771 3409.483       173.3497 133.6279 4.454000 127.2905 3.243757 6.337440 
5.509998 
1 1 1 -3  7   23 f 104.0915 2.516930  2294.303       107.5745 2221.984       
169.5224 2343.057       139.1898 102.6723 3.932736 105.5107 3.142185 -2.838425 
5.033860 
1 1 1 -3  7   24 o 237.9587 3.757596  11901.78       355.2505 12213.96       
614.0863 11744.75       435.5264 240.0023 6.094456 235.9150 4.397238 4.087341 
7.515192 
1 1 1 -3  7   25 o 100.2944 2.431582  2116.631       100.4332 2127.174       
158.4145 2109.545       129.8690 100.4721 3.755523 100.1168 3.089726 0.3553619 
4.863164 
1 1 1 -3  7   26 o 210.0002 3.914128  9067.589       314.9325 10018.91       
592.2612 8692.556       371.8633 217.0895 6.498237 202.9109 4.365149 14.17859 
7.828257 
1 1 1 -3  7   27 o 25.01658 5.072317  141.4404       59.46465 66.75968       
94.85992 189.7848       76.32230 20.75378 7.882587 29.27939 6.385797 -8.525610 
10.14463 
1 1 1 -3  7   28 o 79.64160 2.405305  1318.487       78.68735 1436.069       
127.1872 1245.573       100.1559 82.43610 3.674913 76.84710 3.104347 5.589005 
4.810609 
1 1 1 -3  7   29 o 46.71446 3.421103  453.1083       65.38017 514.9367       
107.6356 416.9580       82.30342 49.12363 5.218989 44.30528 4.424696 4.818352 
6.842206 
1 1 1 -3  7   30 o 34.69313 5.248698  264.1350       76.34074 377.8755       
113.8237 171.1388       102.9218 41.76944 6.490753 27.61681 8.250179 14.15263 
10.49740 
1 1 1 -3  7   31 o 78.48354 5.673732  1333.317       186.9504 1333.317       
186.9504 0.000000       0.000000 78.48354 5.673732 ?        ?        ? ? 
1 1 1 -3  7   32 o 51.33781 3.520373  571.1111       75.62951 518.7335       
106.8180 623.7610       107.0951 48.90337 5.202672 53.77224 4.743869 -4.868866 
7.040745 
1 1 1 -3  7   33 o 84.57940 3.053790  1542.018       108.2574 1585.662       
158.5447 1503.895       148.1785 85.64925 4.409093 83.50954 4.226397 2.139709 
6.107580 
1 1 1 -3  7   34 o 52.32632 3.995080  609.2869       87.67535 629.0657       
122.8099 588.7281       125.2082 53.27428 5.490816 51.37835 5.804619 1.895924 
7.990160 
1 1 1 -3  7   35 o 40.36610 5.382400  395.4130       88.17511 350.1599       
131.3761 432.5076       118.9454 37.34643 8.557946 43.38578 6.530120 -6.039349 
10.76480 
1 1 1 -3  7   36 o 33.08747 5.855970  281.7870       81.43116 308.0429       
112.4571 252.8447       118.0700 35.05324 7.839621 31.12170 8.701143 3.931541 
11.71194 
1 1 1 -3  7   37 o 46.05876 4.754817  499.6474       87.68957 377.3537       
114.7072 671.6160       136.0233 38.72709 7.321763 53.39043 6.068353 -14.66335 
9.509633 
1 1 1 -3  7   38 o 17.94463 5.513724  29.52987       81.49030 89.37112       
107.5702 -51.06453      124.8373 20.01710 8.140910 15.87216 7.438426 4.144939 
11.02745 
1 1 1 -3  8   1  o 337.2063 4.558722  23909.23       637.4137 23992.67       
982.3603 23848.56       837.7011 337.6581 6.929705 336.7545 5.925115 0.9035645 
9.117445 
1 1 1 -3  8   2  o 10.96468 2.985714  1.643455       22.56137 38.76937       
32.24924 -33.94545      31.57463 14.00675 4.672794 7.922611 3.717923 6.084141 
5.971429 
1 1 1 -3  8   3  o 153.5122 1.910233  4920.925       122.5906 4665.235       
164.4542 5240.697       183.9116 149.0510 2.628035 157.9734 2.772976 -8.922379 
3.820466 
1 1 1 -3  8   4  o 90.94668 1.442016  1736.436       55.04202 1745.277       
78.94461 1728.072       76.78273 91.17171 2.062450 90.72164 2.015922 0.4500732 
2.884032 
1 1 1 -3  8   5  o 228.3132 2.793775  10948.15       267.6081 10872.81       
371.0146 11029.85       386.3617 227.4978 3.884498 229.1286 4.016389 -1.630875 
5.587550 
1 1 1 -3  8   6  o 85.18642 1.711401  1511.574       60.90281 1406.606       
81.32231 1645.637       91.90442 81.84624 2.366639 88.52659 2.472770 -6.680344 
3.422802 
1 1 1 -3  8   7  o 283.1822 3.040766  16832.30       360.4278 16630.55       
489.6978 17070.78       532.4221 281.3421 4.145859 285.0222 4.449369 -3.680115 
6.081532 
1 1 1 -3  8   8  o 75.84303 1.722458  1176.597       54.12062 977.8355       
70.48280 1462.150       84.48123 68.24009 2.460167 83.44598 2.411437 -15.20589 
3.444917 
1 1 1 -3  8   9  o 238.8344 3.477540  11987.58       348.6612 11866.02       
488.8401 12113.45       497.4350 237.6033 4.900445 240.0655 4.935460 -2.462280 
6.955079 
1 1 1 -3  8   10 o 619.0692 5.030356  80141.30       1255.440 78816.23       
1563.770 82543.92       2105.705 612.1425 6.084732 625.9960 8.012114 -13.85358 
10.06071 
1 1 1 -3  8   11 o 274.2998 3.614075  15799.49       414.8547 15608.03       
562.9017 16027.12       613.7809 272.4972 4.920301 276.1024 5.294979 -3.605255 
7.228151 
1 1 1 -3  8   12 o 154.1816 1.737543  4885.566       108.2699 4621.878       
134.2523 5376.104       183.1107 148.3638 2.155335 159.9994 2.725941 -11.63564 
3.475086 
1 1 1 -3  8   13 o 144.1125 2.773635  4347.151       163.5922 4436.632       
263.7289 4291.187       208.5674 145.2994 4.323295 142.9257 3.475820 2.373764 
5.547270 
1 1 1 -3  8   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  8   15 o 336.4760 4.062937  24077.98       554.1177 22786.47       
897.7438 24872.84       704.2855 329.0039 6.499387 343.9480 4.877273 -14.94409 
8.125874 
1 1 1 -3  8   16 o 96.37315 2.446222  1886.650       93.86177 2152.768       
165.2897 1759.992       114.0312 101.2112 3.889901 91.53515 2.967268 9.676010 
4.892444 
1 1 1 -3  8   17 o 80.33339 1.965971  1311.035       63.22573 1501.247       
110.0842 1217.405       77.23480 84.53194 3.101881 76.13484 2.416299 8.397102 
3.931942 
1 1 1 -3  8   18 o 133.9503 2.535614  3719.615       134.4836 3926.007       
235.7552 3620.061       163.7365 136.6392 4.109672 131.2614 2.971185 5.377792 
5.071227 
1 1 1 -3  8   19 o 100.3224 2.193800  2106.363       89.63834 2151.614       
146.4096 2079.231       113.3702 101.1666 3.447095 99.47826 2.714513 1.688377 
4.387601 
1 1 1 -3  8   20 o 104.5085 2.252259  2270.425       93.68968 2376.885       
162.1866 2217.107       114.7773 106.3020 3.634082 102.7150 2.661604 3.587029 
4.504519 
1 1 1 -3  8   21 o 189.9873 3.651747  7552.154       273.0035 7796.239       
481.8206 7436.737       331.3200 192.0679 5.975190 187.9068 4.199777 4.161026 
7.303493 
1 1 1 -3  8   22 o 56.54567 2.614507  664.9829       61.16858 720.7693       
96.48186 627.4897       79.09652 58.49261 3.928853 54.59874 3.450610 3.893871 
5.229014 
1 1 1 -3  8   23 o 97.62337 2.323410  2006.394       92.92734 2006.100       
148.6188 2006.583       119.0756 97.58685 3.627467 97.65989 2.904209 
-0.7303619E-01 4.646821 
1 1 1 -3  8   24 o 277.9346 3.529484  16052.84       329.0494 16784.52       
744.0179 15874.93       366.8795 281.2490 6.301059 274.6202 3.182087 6.628754 
7.058968 
1 1 1 -3  8   25 o 101.4041 2.583075  2108.810       104.1716 2343.906       
182.9303 1995.984       126.7266 105.4241 4.133013 97.38405 3.099567 8.040054 
5.166151 
1 1 1 -3  8   26 o 46.77407 3.285386  458.2259       63.74454 487.3412       
99.28012 437.8043       83.14706 48.00862 4.925657 45.53952 4.348901 2.469097 
6.570771 
1 1 1 -3  8   27 o 25.99440 5.315195  148.5965       60.45542 139.8585       
97.12756 154.1227       77.24226 25.61413 8.088722 26.37467 6.897665 
-0.7605438     10.63039 
1 1 1 -3  8   28 o 41.55836 3.517484  363.1335       60.91844 431.6199       
90.95367 307.4160       82.03790 45.09207 4.804422 38.02465 5.138901 7.067413 
7.034968 
1 1 1 -3  8   29 o 130.3022 2.768466  3595.070       147.2794 3603.767       
237.8249 3589.660       187.5759 130.2923 4.347701 130.3120 3.428573 
-0.1977539E-01 5.536932 
1 1 1 -3  8   30 o 30.85571 4.808531  224.7045       60.75755 151.4876       
97.95173 270.4906       77.45932 26.16667 8.096007 35.54475 5.190621 -9.378080 
9.617062 
1 1 1 -3  8   31 o 40.66018 4.176404  346.9032       69.90764 419.8220       
113.3234 302.1069       88.82210 43.94498 6.142303 37.37537 5.660524 6.569618 
8.352809 
1 1 1 -3  8   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  8   33 o 33.40930 5.543326  268.4327       78.09502 348.6591       
109.3577 184.9404       111.5614 38.89843 6.946645 27.92018 8.640486 10.97825 
11.08665 
1 1 1 -3  8   34 o 25.17744 6.111220  146.9430       78.02629 146.2341       
109.4598 147.6754       111.2537 25.11796 8.608810 25.23693 8.676200 
-0.1189690     12.22244 
1 1 1 -3  8   35 o 23.80927 5.731144  114.4571       79.71922 225.1873       
109.4634 -10.60002      116.3296 29.99723 8.375173 17.62131 7.825634 12.37592 
11.46229 
1 1 1 -3  8   36 o 37.85991 5.529679  355.4692       84.62514 346.4006       
113.5918 366.7803       126.8606 37.57560 7.465724 38.14423 8.159188 
-0.5686264     11.05936 
1 1 1 -3  8   37 o 23.41674 6.267241  128.9142       85.74692 83.92912       
115.5915 183.9585       127.8640 20.74848 8.438772 26.08499 9.268245 -5.336510 
12.53448 
1 1 1 -3  8   38 o 23.94178 6.275494  153.7877       83.97398 108.5794       
110.0825 216.7090       129.8697 21.08467 8.363436 26.79888 9.358432 -5.714211 
12.55099 
1 1 1 -3  9   1  o 22.74716 2.993950  112.8357       27.56930 145.3549       
39.02497 80.43645       38.95288 26.30564 3.533579 19.18869 4.834126 7.116951 
5.987901 
1 1 1 -3  9   2  o 246.7493 2.950235  12748.20       292.9812 12947.32       
491.7244 12638.60       364.8060 248.2068 4.718773 245.2918 3.542419 2.914993 
5.900471 
1 1 1 -3  9   3  o 38.48783 1.991940  311.2691       32.15948 296.6769       
45.50603 325.8284       45.45476 37.58577 2.883809 39.38988 2.748627 -1.804108 
3.983881 
1 1 1 -3  9   4  o 374.0136 3.540088  29355.05       541.9515 29189.44       
692.2783 29617.20       871.0137 372.7067 4.424198 375.3205 5.527691 -2.613831 
7.080176 
1 1 1 -3  9   5  o 134.7523 1.622176  3748.762       90.05092 3504.168       
115.1190 4134.407       144.5499 129.1864 2.122517 140.3182 2.453719 -11.13174 
3.244351 
1 1 1 -3  9   6  o 43.04390 1.987623  389.0864       35.91347 389.3791       
51.25106 388.8040       50.33984 43.05965 2.835002 43.02815 2.786636 
0.3150177E-01  3.975246 
1 1 1 -3  9   7  o 158.8248 2.545568  5239.361       166.5466 5008.290       
213.6056 5597.636       265.9796 154.4174 3.294864 163.2322 3.881178 -8.814789 
5.091136 
1 1 1 -3  9   8  o 162.5963 2.468563  5532.542       167.7432 5349.517       
225.1452 5760.894       251.4835 159.5889 3.360323 165.6036 3.617103 -6.014679 
4.937125 
1 1 1 -3  9   9  o 415.9986 5.679156  36365.59       988.2303 35487.06       
1334.562 37432.09       1470.434 410.4999 7.743668 421.4972 8.309443 -10.99728 
11.35831 
1 1 1 -3  9   10 o 402.6069 3.328784  33659.75       532.3653 32842.46       
650.6672 35314.79       925.9221 395.3770 3.919842 409.8368 5.381268 -14.45981 
6.657568 
1 1 1 -3  9   11 o 378.2098 2.663752  30040.96       420.6632 30146.37       
629.0875 29955.71       565.7549 378.7943 3.955750 377.6253 3.568522 1.168976 
5.327505 
1 1 1 -3  9   12 o 498.4234 8.777792  52170.27       1697.970 53775.97       
3072.426 51464.21       2037.366 503.0794 14.54675 493.7673 9.828058 9.312103 
17.55558 
1 1 1 -3  9   13 o 352.0596 7.680949  26312.76       1060.693 25893.98       
1860.727 26514.34       1290.985 349.5244 12.68021 354.5949 8.671810 -5.070526 
15.36190 
1 1 1 -3  9   14 o 166.2616 2.325982  5764.807       150.3732 5917.610       
271.1564 5696.942       180.7062 167.8200 3.848551 164.7031 2.613317 3.116867 
4.651964 
1 1 1 -3  9   15 o 132.6935 1.981645  3619.714       101.2918 3894.416       
187.7872 3506.994       120.2916 136.1552 3.285132 129.2317 2.217111 6.923508 
3.963291 
1 1 1 -3  9   16 o 248.0709 4.373244  13014.44       445.1407 12677.63       
704.0547 13238.74       574.5516 245.3031 6.836351 250.8387 5.455764 -5.535507 
8.746489 
1 1 1 -3  9   17 o 177.5198 2.467892  6587.841       167.7005 6706.649       
310.2679 6538.808       199.3248 178.6051 4.137748 176.4344 2.690910 2.170700 
4.935783 
1 1 1 -3  9   18 o 111.9040 2.394963  2641.163       112.0262 2511.470       
163.7959 2755.148       153.5572 109.3062 3.569269 114.5017 3.194325 -5.195480 
4.789926 
1 1 1 -3  9   19 o 197.1963 3.653071  8223.581       290.3340 8073.251       
481.4782 8309.476       363.9470 195.6776 5.860795 198.7150 4.362431 -3.037399 
7.306143 
1 1 1 -3  9   20 o 82.43210 2.237449  1409.391       74.90848 1503.236       
124.3947 1355.998       93.82825 84.54121 3.504730 80.32300 2.782369 4.218208 
4.474897 
1 1 1 -3  9   21 o 81.04315 2.137950  1352.351       71.33601 1524.762       
115.0698 1244.728       90.91425 85.14143 3.219152 76.94488 2.814319 8.196556 
4.275901 
1 1 1 -3  9   22 o 25.97822 4.834544  148.3813       52.80022 145.6987       
83.56337 150.1642       68.12195 25.85098 7.350145 26.10547 6.282247 
-0.2544880     9.669088 
1 1 1 -3  9   23 o 87.65665 2.266107  1621.113       82.35147 1593.165       
126.3093 1641.777       108.6096 86.97815 3.458966 88.33516 2.928570 -1.357010 
4.532214 
1 1 1 -3  9   24 o 88.30887 2.093564  1634.229       73.22598 1661.143       
127.1506 1620.874       89.57084 88.81633 3.409939 87.80140 2.429888 1.014931 
4.187128 
1 1 1 -3  9   25 o 102.6953 2.485971  2146.749       99.09202 2416.118       
182.9281 2034.878       117.8864 107.0430 4.070457 98.34760 2.855097 8.695374 
4.971942 
1 1 1 -3  9   26 o 156.9228 2.691381  5195.912       169.6802 5176.813       
284.4525 5206.462       211.4127 156.5996 4.326536 157.2461 3.202376 
-0.6464996     5.382762 
1 1 1 -3  9   27 o 62.64843 2.769554  815.7025       70.93690 884.4259       
116.1266 774.7933       89.59623 64.68578 4.276060 60.61108 3.520941 4.074692 
5.539108 
1 1 1 -3  9   28 o 111.7507 2.089150  2613.634       95.54395 2716.228       
154.6599 2550.316       121.5014 113.4625 3.246733 110.0388 2.630005 3.423683 
4.178301 
1 1 1 -3  9   29 o 36.04851 4.525034  298.8083       63.75177 226.6144       
100.5239 347.3811       82.45472 31.69881 7.633420 40.39821 4.861547 -8.699406 
9.050069 
1 1 1 -3  9   30 o 40.84214 3.847601  346.4781       64.64107 463.0012       
101.0812 265.8532       84.08112 46.51104 5.176490 35.17325 5.693863 11.33778 
7.695202 
1 1 1 -3  9   31 o 66.61366 2.450821  931.4326       66.87820 988.8627       
108.4136 896.1525       84.97250 68.18141 3.787379 65.04592 3.111568 3.135490 
4.901642 
1 1 1 -3  9   32 f 51.66116 3.634308  578.8772       71.92105 574.6194       
131.4907 580.6949       85.91134 51.19946 6.117173 52.12285 3.925937 
-0.9233932     7.268617 
1 1 1 -3  9   33 o 40.80901 5.831534  422.9612       93.30884 284.1400       
154.1192 503.2908       117.2374 33.83383 10.09336 47.78420 5.843904 -13.95037 
11.66307 
1 1 1 -3  9   34 f 59.74343 3.705869  791.9209       91.76525 926.1541       
129.3588 655.9435       130.1965 65.13907 4.730157 54.34779 5.706091 10.79128 
7.411738 
1 1 1 -3  9   35 o 39.33270 5.270031  371.6046       84.44238 410.6918       
115.3722 326.5072       123.9252 42.37569 6.484932 36.28971 8.308945 6.085976 
10.54006 
1 1 1 -3  9   36 o 33.92185 5.965632  296.4058       84.79375 320.2386       
115.3439 268.3798       125.0799 35.82388 7.882260 32.01982 8.956844 3.804050 
11.93126 
1 1 1 -3  9   37 o 24.35042 6.240851  148.7813       81.31847 133.2386       
105.8664 171.1487       127.0002 23.20596 8.414489 25.49488 9.218962 -2.288923 
12.48170 
1 1 1 -3  9   38 o 16.62166 5.348171  -9.374391      81.93034 11.38975       
106.5489 -39.41278      128.1535 16.79062 7.470625 16.45269 7.655162 0.3379269 
10.69634 
1 1 1 -3  10  1  o 67.23092 1.607474  954.1320       45.12820 878.2734       
65.50921 1022.645       62.25677 64.67302 2.412683 69.78882 2.124819 -5.115799 
3.214948 
1 1 1 -3  10  2  o 105.6319 1.692446  2345.624       74.91220 2390.830       
103.3795 2295.641       108.7047 106.7059 2.307635 104.5579 2.476351 2.148003 
3.384892 
1 1 1 -3  10  3  o 294.8198 3.362843  17880.04       360.4846 17506.93       
414.2123 19044.89       731.8877 288.6998 3.417414 300.9398 5.792765 -12.23999 
6.725685 
1 1 1 -3  10  4  o 392.6646 4.086785  32518.94       667.1199 31710.41       
1010.219 33144.20       888.3810 388.2717 6.197276 397.0575 5.329261 -8.785736 
8.173571 
1 1 1 -3  10  5  o 264.1674 3.133150  14522.00       333.5924 14171.03       
414.6483 15165.98       561.6727 259.7227 3.802691 268.6121 4.980567 -8.889343 
6.266299 
1 1 1 -3  10  6  o 324.2137 2.787571  21638.52       339.1380 21113.94       
396.2356 23075.47       655.7929 317.0720 2.976575 331.3555 4.714043 -14.28357 
5.575141 
1 1 1 -3  10  7  o 121.7513 1.664455  3098.180       84.81834 2937.512       
114.6025 3292.785       126.1264 118.2779 2.307872 125.2248 2.399036 -6.946945 
3.328910 
1 1 1 -3  10  8  o 231.2147 2.525719  11233.25       244.4801 11186.07       
359.1628 11273.99       333.7305 230.7560 3.707315 231.6734 3.431158 
-0.9174042     5.051439 
1 1 1 -3  10  9  f 223.3386 1.809008  10029.33       143.6916 9662.782       
162.8356 11319.05       305.4426 214.5299 1.807935 232.1474 3.133912 -17.61751 
3.618015 
1 1 1 -3  10  10 o 102.6819 1.702866  2212.452       73.32285 2065.809       
102.3088 2367.316       105.1374 99.18532 2.456896 106.1784 2.358533 -6.993088 
3.405733 
1 1 1 -3  10  11 o 422.1813 3.656171  37183.78       627.2145 36357.22       
788.7976 38604.93       1034.309 415.9269 4.517203 428.4357 5.750236 -12.50882 
7.312342 
1 1 1 -3  10  12 o 85.67407 1.995848  1536.151       69.02428 1561.021       
115.0772 1522.176       86.26485 86.20833 3.179518 85.13982 2.413361 1.068512 
3.991697 
1 1 1 -3  10  13 o 281.1089 6.709484  16771.71       775.7794 16212.61       
1215.444 17156.04       1007.749 276.9666 10.45271 285.2511 8.414845 -8.284485 
13.41897 
1 1 1 -3  10  14 o 231.6889 4.018572  11175.95       361.8271 11599.66       
654.7421 10989.66       434.1423 234.7268 6.643985 228.6510 4.522516 6.075851 
8.037145 
1 1 1 -3  10  15 f 284.8777 5.010579  17033.00       570.4895 17311.30       
972.1295 16886.81       704.5697 286.4894 8.082331 283.2659 5.924487 3.223511 
10.02116 
1 1 1 -3  10  16 o 384.2344 5.028620  30949.83       702.4493 31463.57       
1409.766 30780.16       810.1882 385.9475 8.700414 382.5214 5.044885 3.426117 
10.05724 
1 1 1 -3  10  17 o 244.0242 3.745426  12344.96       331.1622 12908.03       
672.7438 12164.88       380.4492 247.4809 6.474839 240.5674 3.766874 6.913559 
7.490853 
1 1 1 -3  10  18 o 160.0880 2.769509  5371.758       172.6992 5435.460       
309.3015 5342.901       208.1707 160.7245 4.583750 159.4515 3.109654 1.273071 
5.539018 
1 1 1 -3  10  19 o 266.5179 3.387406  15054.99       356.0694 14668.65       
616.7795 15248.11       436.0767 263.7915 5.569167 269.2443 3.857780 -5.452789 
6.774812 
1 1 1 -3  10  20 o 267.1935 3.372299  15160.04       350.5015 14728.23       
622.6650 15360.32       424.0683 264.1937 5.613750 270.1933 3.738370 -5.999573 
6.744598 
1 1 1 -3  10  21 o 249.8593 3.355875  13281.97       338.0232 12732.02       
556.6046 13603.31       425.4667 245.5596 5.398971 254.1591 3.987319 -8.599533 
6.711751 
1 1 1 -3  10  22 o 229.7772 2.932359  11110.20       254.5410 11172.21       
479.7991 11085.91       300.2814 230.0165 4.968456 229.5379 3.115982 0.4786072 
5.864717 
1 1 1 -3  10  23 o 351.7866 6.491429  26460.01       902.7546 26902.81       
1570.182 26241.37       1103.345 352.6632 10.60501 350.9099 7.489222 1.753326 
12.98286 
1 1 1 -3  10  24 o 85.99252 2.302217  1546.109       81.67539 1612.752       
129.1998 1501.750       105.4100 87.50487 3.516825 84.48017 2.971996 3.024696 
4.604434 
1 1 1 -3  10  25 o 103.8292 2.182674  2244.890       92.05081 2362.333       
152.3869 2177.416       115.5055 105.9134 3.427029 101.7450 2.704023 4.168396 
4.365348 
1 1 1 -3  10  26 o 146.0071 2.434246  4473.193       138.0084 4538.256       
248.6933 4444.241       165.8966 146.6730 4.038639 145.3412 2.718752 1.331757 
4.868492 
1 1 1 -3  10  27 o 114.9015 2.234099  2723.372       97.28101 2918.273       
185.2257 2649.132       114.3168 117.5909 3.751876 112.2120 2.426564 5.378906 
4.468197 
1 1 1 -3  10  28 o 120.7244 2.204820  3062.684       108.9091 3123.581       
175.6318 3024.638       138.8221 121.6343 3.439286 119.8144 2.759754 1.819824 
4.409640 
1 1 1 -3  10  29 o 131.1038 2.691955  3667.865       146.3407 3429.544       
220.8216 3854.497       195.4137 127.1757 4.135789 135.0318 3.446989 -7.856087 
5.383910 
1 1 1 -3  10  30 o 43.19069 3.668223  381.9159       64.65193 539.3147       
103.1303 280.0094       82.98248 50.25098 4.888357 36.13041 5.470596 14.12057 
7.336447 
1 1 1 -3  10  31 o 96.61634 2.337970  2000.658       92.92860 1861.485       
143.7771 2100.512       121.7856 93.59067 3.659132 99.64201 2.911215 -6.051346 
4.675941 
1 1 1 -3  10  32 o 86.60372 2.716908  1583.518       94.50307 1664.215       
160.4055 1540.618       116.9559 88.07176 4.338140 85.13568 3.272139 2.936081 
5.433815 
1 1 1 -3  10  33 o 23.06753 5.341369  92.38693       62.74374 204.2777       
103.5408 27.45569       78.87537 29.31719 8.132472 16.81787 6.927033 12.49932 
10.68274 
1 1 1 -3  10  34 o 28.18666 5.994634  185.7597       79.38385 119.7835       
107.7255 264.1623       117.4330 23.51749 8.491932 32.85584 8.463430 -9.338354 
11.98927 
1 1 1 -3  10  35 o 69.62013 4.608548  1062.916       134.7032 1062.916       
134.7032 0.000000       0.000000 69.62013 4.608548 ?        ?        ? ? 
1 1 1 -3  10  36 o 81.47838 3.307407  1479.650       111.6308 1544.529       
148.6632 1395.776       169.0303 83.93375 4.218791 79.02301 5.094858 4.910744 
6.614814 
1 1 1 -3  10  37 o 48.00847 4.875877  521.0643       90.58759 332.3580       
114.9018 831.0017       147.2552 36.12788 7.797255 59.88907 5.856581 -23.76119 
9.751755 
1 1 1 -3  10  38 o 33.46082 4.897620  242.0956       88.19196 -28.71683      
114.6254 634.9833       138.0641 15.99895 7.364944 50.92268 6.457888 -34.92372 
9.795239 
1 1 1 -3  11  1  o 183.5552 2.699476  7078.409       207.4961 7076.864       
304.5228 7079.748       283.4921 183.5312 3.952127 183.5791 3.678228 
-0.4789734E-01 5.398952 
1 1 1 -3  11  2  o 91.34236 1.791706  1748.060       68.63098 1652.332       
94.54774 1854.681       99.78133 88.70495 2.538776 93.97977 2.528925 -5.274818 
3.583412 
1 1 1 -3  11  3  o 252.8413 3.087406  13305.19       301.6684 13109.91       
360.4864 13761.48       551.0411 249.8251 3.436955 255.8575 5.129877 -6.032349 
6.174812 
1 1 1 -3  11  4  o 395.2585 4.621538  32863.95       760.2489 32816.07       
1010.426 32926.43       1154.163 394.9865 6.093173 395.5305 6.950374 
-0.5440063     9.243076 
1 1 1 -3  11  5  o 157.4057 2.149192  5173.540       141.4054 4901.905       
189.5515 5514.407       212.3377 152.7759 2.955245 162.0354 3.121319 -9.259506 
4.298384 
1 1 1 -3  11  6  o 283.7159 3.994926  16906.10       475.3381 16510.47       
654.3640 17348.09       691.6432 280.2135 5.562262 287.2183 5.735763 -7.004761 
7.989851 
1 1 1 -3  11  7  o 183.1836 2.553001  7044.832       196.2757 6889.039       
273.2200 7210.972       282.1468 181.0927 3.593624 185.2745 3.627276 -4.181808 
5.106003 
1 1 1 -3  11  8  o 302.7469 3.129184  19179.79       394.9022 18615.23       
524.6065 19917.99       599.8851 297.6441 4.198145 307.8496 4.641417 -10.20544 
6.258368 
1 1 1 -3  11  9  o 158.8901 2.532434  5238.157       166.4296 4948.416       
215.0557 5670.794       262.7895 153.4872 3.337337 164.2931 3.809866 -10.80597 
5.064868 
1 1 1 -3  11  10 o 237.3073 2.095539  11502.86       188.2189 11101.89       
220.5935 12576.13       360.9039 229.9368 2.285101 244.6777 3.513324 -14.74089 
4.191078 
1 1 1 -3  11  11 o 402.2745 4.187350  34193.15       612.4495 33735.53       
1220.267 34347.24       708.0939 400.2559 7.261701 404.2930 4.171725 -4.037140 
8.374700 
1 1 1 -3  11  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  11  13 o 320.4468 5.751607  21438.37       717.4852 22209.87       
1293.367 21095.40       862.3389 324.3206 9.498792 316.5732 6.488211 7.747406 
11.50321 
1 1 1 -3  11  14 o 276.6127 3.984293  15730.12       376.6236 16734.85       
834.8880 15473.43       422.0014 281.8568 7.055387 271.3686 3.704037 10.48813 
7.968587 
1 1 1 -3  11  15 o 110.4247 2.318662  2519.427       102.2861 2697.749       
176.5931 2429.396       125.4780 113.3034 3.712373 107.5459 2.779039 5.757500 
4.637324 
1 1 1 -3  11  16 o 414.7074 6.644191  36199.56       1075.484 36883.46       
1920.747 35887.21       1298.047 416.9640 10.97217 412.4508 7.496170 4.513153 
13.28838 
1 1 1 -3  11  17 o 44.21884 3.080584  413.9166       56.11755 396.7439       
87.30914 426.0049       73.25288 43.42337 4.789136 45.01430 3.876102 -1.590927 
6.161168 
1 1 1 -3  11  18 o 63.50062 2.592517  837.1158       67.92420 903.8741       
108.1160 793.5841       87.30518 65.55816 3.928114 61.44307 3.384450 4.115086 
5.185035 
1 1 1 -3  11  19 o 209.4181 3.314966  9235.663       286.0036 9233.697       
450.0042 9236.995       370.4453 209.3355 5.120293 209.5007 4.211722 
-0.1651611     6.629932 
1 1 1 -3  11  20 o 207.2973 3.169800  9083.693       273.5203 8795.413       
411.0230 9312.823       366.4373 204.2832 4.792416 210.3114 4.150094 -6.028137 
6.339600 
1 1 1 -3  11  21 o 131.9800 2.578984  3667.554       140.5060 3662.276       
219.6321 3671.210       182.8085 131.8659 3.967203 132.0942 3.296353 
-0.2283325     5.157969 
1 1 1 -3  11  22 o 31.99170 4.295938  226.3568       54.82525 197.1521       
86.82573 245.7226       70.70351 29.87289 7.031726 34.11052 4.937120 -4.237633 
8.591876 
1 1 1 -3  11  23 o 103.0561 2.050565  2214.474       85.96518 2314.594       
141.5673 2155.991       108.1977 104.8575 3.215766 101.2546 2.545215 3.602974 
4.101131 
1 1 1 -3  11  24 o 88.50136 2.469888  1653.399       89.94305 1630.148       
141.5428 1669.145       116.4848 87.94859 3.833362 89.05412 3.115562 -1.105530 
4.939776 
1 1 1 -3  11  25 o 161.7089 2.582786  5526.491       172.4856 5412.074       
267.8419 5607.563       225.4596 160.2188 3.981862 163.1990 3.290579 -2.980255 
5.165572 
1 1 1 -3  11  26 o 178.8740 3.175519  6734.002       226.8566 6837.411       
386.9738 6679.856       280.0204 179.7483 5.127881 177.9997 3.747066 1.748550 
6.351037 
1 1 1 -3  11  27 o 92.04591 2.202851  1785.049       84.75724 1787.290       
125.8968 1783.191       114.6243 92.08269 3.256551 92.00915 2.967336 
0.7353973E-01  4.405702 
1 1 1 -3  11  28 f 119.9755 2.482901  3022.825       122.3270 3121.399       
195.8108 2959.730       156.6592 121.4998 3.838682 118.4513 3.150192 3.048470 
4.965802 
1 1 1 -3  11  29 o 87.33469 2.558857  1625.252       92.67071 1530.622       
140.1503 1698.768       123.5299 84.99918 3.927356 89.67021 3.281292 -4.671036 
5.117715 
1 1 1 -3  11  30 o 167.0633 2.885585  5933.315       195.9690 5918.446       
319.4918 5942.285       248.1280 166.6410 4.566662 167.4855 3.528739 
-0.8445282     5.771170 
1 1 1 -3  11  31 f 20.40012 5.065522  46.93215       59.92729 160.7570       
94.84862 -28.69757      77.31408 26.64923 7.911655 14.15102 6.328013 12.49821 
10.13104 
1 1 1 -3  11  32 o 84.32163 2.645663  1479.365       89.87982 1650.102       
153.3854 1390.084       110.9176 87.77240 4.162431 80.87086 3.266851 6.901535 
5.291327 
1 1 1 -3  11  33 o 31.57125 5.090318  218.8022       65.33237 314.8229       
106.5219 160.9028       82.71677 36.88254 7.133842 26.25996 7.263170 10.62258 
10.18064 
1 1 1 -3  11  34 o 22.62988 5.394384  116.0484       58.77623 93.82476       
107.9647 125.4092       70.06978 22.03947 8.398186 23.22029 6.772591 -1.180824 
10.78877 
1 1 1 -3  11  35 o 88.32129 3.388257  1711.753       124.8288 1677.905       
166.7094 1754.950       188.3306 87.54028 4.536002 89.10229 5.034463 -1.562004 
6.776513 
1 1 1 -3  11  36 o 42.83114 10.24802  498.5141       182.0852 498.5141       
182.0852 0.000000       0.000000 42.83114 10.24802 ?        ?        ? ? 
1 1 1 -3  11  37 o 29.28644 6.087958  211.4429       82.94057 125.0530       
107.2754 339.8301       130.7764 22.82741 8.447631 35.74547 8.768721 -12.91806 
12.17592 
1 1 1 -3  11  38 o 19.23553 5.709703  16.94924       84.07148 -91.69054      
110.4001 166.9186       129.7108 14.07534 6.721526 24.39573 9.231681 -10.32040 
11.41941 
1 1 1 -3  12  1  o 276.5692 3.202892  15985.79       325.1291 15891.51       
376.7330 16260.95       643.6090 275.0586 3.262342 278.0797 5.512821 -3.021088 
6.405784 
1 1 1 -3  12  2  o 131.7722 1.623507  3667.064       88.91624 3482.244       
133.6860 3813.685       119.0721 128.7744 2.472734 134.7700 2.104446 -5.995575 
3.247015 
1 1 1 -3  12  3  o 395.0919 4.282837  32679.60       622.7285 32512.73       
722.7762 33160.30       1226.750 393.3392 4.376810 396.8445 7.363036 -3.505280 
8.565674 
1 1 1 -3  12  4  o 310.4849 2.578808  20326.35       331.4876 19784.56       
509.6483 20723.63       436.4142 306.8651 3.955890 314.1048 3.309371 -7.239716 
5.157615 
1 1 1 -3  12  5  o 408.6413 4.843066  35063.38       808.6050 34789.44       
1029.226 35505.14       1306.986 406.6823 6.028047 410.6003 7.581806 -3.917969 
9.686131 
1 1 1 -3  12  6  o 222.9579 1.979467  10358.16       183.3491 9910.334       
240.2422 10982.84       283.7429 217.2373 2.634122 228.6786 2.955429 -11.44130 
3.958934 
1 1 1 -3  12  7  o 133.9893 1.924448  3713.148       105.5782 3527.123       
133.6806 4021.545       172.1223 129.6018 2.456850 138.3768 2.962751 -8.774979 
3.848896 
1 1 1 -3  12  8  o 180.3556 2.536690  6842.869       191.6313 6675.784       
278.7129 6992.674       263.9080 178.2595 3.724136 182.4518 3.445287 -4.192352 
5.073380 
1 1 1 -3  12  9  o 448.7285 5.757965  42454.75       1082.591 42085.86       
1577.969 42782.79       1488.017 446.8274 8.411623 450.6295 7.865191 -3.802155 
11.51593 
1 1 1 -3  12  10 o 192.6059 2.651064  7824.806       197.5454 7714.234       
355.8951 7874.042       237.4897 191.5864 4.424646 193.6253 2.921485 -2.038971 
5.302128 
1 1 1 -3  12  11 o 142.1211 3.979152  4071.236       213.3479 4652.993       
415.1792 3862.496       248.6954 148.6763 6.651427 135.5659 4.369567 13.11043 
7.958304 
1 1 1 -3  12  12 o 341.3434 6.383151  24123.71       818.0244 25632.02       
1578.173 23569.59       956.5558 348.1112 10.79836 334.5756 6.809844 13.53558 
12.76630 
1 1 1 -3  12  13 o 319.4283 3.761254  21123.70       419.7687 22072.21       
898.6714 20859.00       474.7415 323.7716 6.611246 315.0849 3.588811 8.686646 
7.522509 
1 1 1 -3  12  14 o 151.8868 2.607508  4789.722       154.6157 5004.592       
277.9099 4693.398       186.0718 154.2966 4.290112 149.4770 2.965018 4.819687 
5.215016 
1 1 1 -3  12  15 o 309.9439 4.177331  20119.74       478.3736 20447.78       
936.8679 20004.04       556.3694 311.4296 7.165386 308.4583 4.296233 2.971252 
8.354662 
1 1 1 -3  12  16 o 229.4097 3.816938  10971.58       336.1258 11342.54       
621.0502 10817.90       399.7310 231.9996 6.376180 226.8198 4.197666 5.179733 
7.633877 
1 1 1 -3  12  17 o 121.5945 1.900765  3090.487       91.86580 3154.629       
158.5625 3058.078       112.7095 122.5241 3.082479 120.6649 2.224849 1.859207 
3.801530 
1 1 1 -3  12  18 o 267.5835 3.794750  15134.69       404.9225 14932.63       
688.1296 15241.70       500.8061 266.0536 6.160589 269.1134 4.432568 -3.059814 
7.589500 
1 1 1 -3  12  19 o 354.3092 4.285357  26551.54       584.3989 26379.58       
1063.838 26625.85       699.3721 353.0806 7.176664 355.5379 4.685366 -2.457306 
8.570715 
1 1 1 -3  12  20 o 156.2390 2.120198  5133.626       131.9359 5130.287       
225.5704 5135.364       162.6617 156.1589 3.440617 156.3192 2.478529 
-0.1602173     4.240396 
1 1 1 -3  12  21 o 157.0068 1.922516  5102.557       114.7621 5373.185       
216.5146 4996.819       135.3374 159.8042 3.227156 154.2095 2.090392 5.594742 
3.845033 
1 1 1 -3  12  22 o 238.6241 3.791190  12003.84       360.3060 12160.35       
617.7856 11923.16       443.5555 239.5252 6.143384 237.7230 4.444245 1.802231 
7.582379 
1 1 1 -3  12  23 o 152.4220 2.993325  4862.557       181.4727 5020.593       
313.5114 4782.926       222.5452 154.1541 4.844168 150.6899 3.517671 3.464264 
5.986649 
1 1 1 -3  12  24 o 168.8243 2.180865  6024.572       153.4556 5753.722       
228.2618 6247.938       207.2890 165.3173 3.288790 172.3313 2.865056 -7.014053 
4.361730 
1 1 1 -3  12  25 o 203.6153 3.559040  8768.034       276.7445 8755.330       
511.1832 8773.302       329.1530 203.2136 5.991630 204.0170 3.842842 
-0.8034058     7.118080 
1 1 1 -3  12  26 o 61.89941 2.679390  815.2346       68.92733 742.1671       
102.0524 876.5270       93.46825 59.30211 4.098963 64.49672 3.451815 -5.194607 
5.358780 
1 1 1 -3  12  27 o 40.16673 3.952402  328.8682       65.22182 438.6832       
104.5582 258.9217       83.44696 45.44022 5.480735 34.89323 5.696268 10.54699 
7.904804 
1 1 1 -3  12  28 o 33.32077 4.624604  227.4775       63.36679 403.6215       
101.0663 113.3826       81.34026 43.51361 5.532259 23.12793 7.412284 20.38567 
9.249207 
1 1 1 -3  12  29 o 150.8973 2.883294  4826.351       179.2578 4838.385       
282.0688 4818.198       232.1716 150.9095 4.452044 150.8851 3.665084 
0.2449036E-01  5.766588 
1 1 1 -3  12  30 o 61.01899 3.056748  758.6184       75.60354 923.0521       
128.7593 672.0973       93.39950 65.78099 4.662290 56.25699 3.954478 9.524002 
6.113497 
1 1 1 -3  12  31 o 55.88123 3.239919  661.4020       72.57731 692.3159       
123.5699 645.1216       89.67447 56.71441 5.189679 55.04803 3.880146 1.666378 
6.479837 
1 1 1 -3  12  32 o 94.27355 2.235375  1894.476       84.78409 1863.532       
141.1233 1911.952       106.0578 93.50745 3.594790 95.03965 2.658022 -1.532196 
4.470749 
1 1 1 -3  12  33 o 82.15723 2.724908  1448.801       92.43331 1440.107       
144.0677 1454.883       120.5061 81.78648 4.195718 82.52798 3.477994 
-0.7415085     5.449816 
1 1 1 -3  12  34 o 44.56635 3.861149  441.0086       69.61353 429.3612       
113.6684 447.9991       88.05962 43.77956 6.184282 45.35313 4.624775 -1.573574 
7.722298 
1 1 1 -3  12  35 o 56.76534 3.434421  698.4573       77.77940 746.9764       
134.1189 673.8707       95.47385 57.83529 5.523547 55.69537 4.083066 2.139919 
6.868843 
1 1 1 -3  12  36 o 51.99957 3.570920  587.8705       75.28416 664.1183       
126.5902 546.1467       93.64373 54.21223 5.561911 49.78691 4.480068 4.425316 
7.141839 
1 1 1 -3  12  37 o 22.27306 8.969553  103.7970       128.8941 0.000000       
0.000000 103.7970       128.8941 ?        ?        22.27306 8.969553 ? ? 
1 1 1 -3  12  38 o 28.19389 6.207816  226.9621       81.26405 226.0206       
114.1116 227.9309       115.7554 28.16522 8.743204 28.22256 8.815003 
-0.5734062E-01 12.41563 
1 1 1 -3  13  1  o 338.2358 3.698050  24571.89       449.4752 23055.53       
899.5209 25076.48       518.8996 330.9801 6.473370 345.4914 3.577397 -14.51129 
7.396100 
1 1 1 -3  13  2  o 276.2421 2.385542  16042.88       272.0188 16101.90       
354.1000 15957.90       424.8882 276.8801 3.046178 275.6041 3.672062 1.276001 
4.771084 
1 1 1 -3  13  3  o 354.4487 3.055827  25790.82       395.5404 25188.92       
455.2354 27644.99       799.0062 346.3000 3.131156 362.5975 5.248635 -16.29752 
6.111653 
1 1 1 -3  13  4  o 271.0941 3.797562  15457.20       432.0539 15965.59       
611.4787 14950.35       610.5552 275.5538 5.285621 266.6344 5.454185 8.919403 
7.595125 
1 1 1 -3  13  5  o 96.70204 1.623598  1913.423       64.98145 1671.518       
83.75532 2279.229       102.9949 89.22086 2.235976 104.1832 2.354719 -14.96236 
3.247197 
1 1 1 -3  13  6  o 370.0964 3.404521  28038.90       432.6435 27503.76       
485.2830 30111.96       955.1362 361.8586 3.194311 378.3342 6.013271 -16.47556 
6.809042 
1 1 1 -3  13  7  o 389.3072 4.125049  31939.34       666.6977 31476.97       
1018.066 32286.51       882.1735 386.7739 6.269602 391.8405 5.362480 -5.066589 
8.250097 
1 1 1 -3  13  8  o 253.9305 3.408802  13556.82       361.9346 13533.65       
536.3130 13576.19       490.4604 253.7148 5.034931 254.1461 4.596651 
-0.4313049     6.817604 
1 1 1 -3  13  9  o 359.4102 2.934056  26681.87       397.8891 28201.35       
760.9443 26110.10       466.7862 366.2507 4.948750 352.5696 3.153510 13.68109 
5.868113 
1 1 1 -3  13  10 o 406.2075 4.974806  34389.40       748.9586 35511.35       
1465.358 33992.67       871.3730 410.3491 8.505723 402.0659 5.162118 8.283203 
9.949613 
1 1 1 -3  13  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  13  12 o 394.3062 6.458842  32774.23       995.7218 32983.57       
1767.751 32676.96       1205.077 394.8068 10.66492 393.8057 7.288761 1.001068 
12.91768 
1 1 1 -3  13  13 o 247.8402 3.592930  12798.32       331.5852 13182.32       
643.7089 12659.63       386.8596 250.2363 6.127174 245.4441 3.754238 4.792160 
7.185859 
1 1 1 -3  13  14 o 134.2390 2.386361  3603.824       120.3910 4197.207       
236.7104 3396.772       139.8265 141.3080 3.989988 127.1699 2.618944 14.13815 
4.772721 
1 1 1 -3  13  15 o 115.6629 2.191025  2724.624       99.60076 3053.364       
179.4575 2578.280       119.7350 120.5342 3.546274 110.7915 2.574161 9.742722 
4.382050 
1 1 1 -3  13  16 o 73.55006 2.153349  1123.297       64.57365 1191.638       
106.0636 1083.046       81.39793 75.29895 3.355045 71.80116 2.700244 3.497787 
4.306698 
1 1 1 -3  13  17 o 165.1645 2.055306  5766.651       139.7514 5550.386       
218.1640 5917.149       181.9935 162.5047 3.197705 167.8243 2.582987 -5.319595 
4.110613 
1 1 1 -3  13  18 o 221.0894 2.992797  10172.88       244.8140 10529.96       
480.5894 10047.75       284.4929 223.5485 5.120630 218.6302 3.099433 4.918289 
5.985594 
1 1 1 -3  13  19 o 181.0413 2.072323  6907.352       144.7888 6847.060       
262.3447 6933.759       173.6268 180.4192 3.463464 181.6635 2.276513 -1.244293 
4.144647 
1 1 1 -3  13  20 o 134.4777 2.173831  3769.258       114.5768 3898.480       
203.9165 3709.640       138.5087 136.1024 3.568679 132.8530 2.483285 3.249451 
4.347663 
1 1 1 -3  13  21 o 157.7136 2.695328  5258.365       171.0820 5171.953       
284.7715 5307.166       214.0070 156.6174 4.330895 158.8098 3.209753 -2.192474 
5.390655 
1 1 1 -3  13  22 o 121.4015 2.137620  3101.407       103.1704 3101.250       
177.0723 3101.487       126.9436 121.3517 3.475567 121.4513 2.489601 
-0.9954071E-01 4.275240 
1 1 1 -3  13  23 o 39.06286 3.667023  314.2227       59.28299 376.5080       
93.95086 273.0165       76.41698 42.18833 5.304317 35.93739 5.064824 6.250938 
7.334046 
1 1 1 -3  13  24 o 129.7814 2.568935  3523.450       133.6247 3631.210       
227.0821 3466.373       165.2669 131.2225 4.121882 128.3403 3.067213 2.882278 
5.137870 
1 1 1 -3  13  25 o 74.43102 2.529635  1174.138       77.43603 1131.098       
121.2569 1203.780       100.6278 73.24325 3.943300 75.61877 3.169635 -2.375526 
5.059269 
1 1 1 -3  13  26 o 65.92076 2.576297  897.9010       68.32767 979.4327       
116.5586 855.2147       84.33849 68.11856 4.075677 63.72296 3.152470 4.395603 
5.152593 
1 1 1 -3  13  27 o 20.68722 5.275863  76.54689       58.61359 90.88940       
87.14845 64.70009       79.20415 21.79753 7.660990 19.57690 7.255904 2.220629 
10.55173 
1 1 1 -3  13  28 o 47.44068 3.582744  499.1771       68.06162 391.2562       
106.0990 574.6428       88.72241 42.78408 5.906772 52.09729 4.056386 -9.313206 
7.165489 
1 1 1 -3  13  29 o 67.97264 2.731809  966.5853       77.06605 1058.328       
120.2765 902.6876       100.3781 70.64234 4.055429 65.30294 3.661233 5.339401 
5.463619 
1 1 1 -3  13  30 o 85.19043 2.282010  1539.190       80.66687 1511.161       
123.2553 1560.192       106.6898 84.45647 3.476113 85.92439 2.957518 -1.467918 
4.564019 
1 1 1 -3  13  31 o 64.71022 2.932338  885.4895       76.51889 922.6458       
128.4669 865.0591       95.26067 65.61323 4.663595 63.80721 3.556026 1.806019 
5.864677 
1 1 1 -3  13  32 o 138.7364 2.746772  4045.684       142.1724 4264.332       
276.0176 3966.725       165.8685 140.6926 4.672902 136.7802 2.888428 3.912354 
5.493545 
1 1 1 -3  13  33 o 58.46897 3.173364  723.4529       76.11820 811.0081       
123.9915 670.4991       96.42721 61.11371 4.832529 55.82423 4.114319 5.289478 
6.346728 
1 1 1 -3  13  34 o 60.61720 3.066553  800.4067       75.80419 781.8444       
121.7116 812.1702       96.89087 59.79644 4.848170 61.43796 3.756359 -1.641525 
6.133106 
1 1 1 -3  13  35 o 39.93003 4.390029  340.6359       69.10260 516.9421       
114.5625 239.8031       86.63819 48.02028 5.682490 31.83978 6.693187 16.18050 
8.780059 
1 1 1 -3  13  36 o 35.27011 4.746563  279.7175       67.71619 382.4544       
110.0214 217.0650       85.91779 40.63960 6.448355 29.90063 6.966933 10.73897 
9.493126 
1 1 1 -3  13  37 o 18.60931 5.567019  30.86344       70.17091 95.11400       
126.1764 2.093734       84.43206 21.78446 8.832401 15.43416 6.779049 6.350298 
11.13404 
1 1 1 -3  13  38 f 24.98609 6.181557  147.5115       99.87140 -54.86086      
148.4115 315.0003       135.0159 17.23665 8.083720 32.73553 9.354145 -15.49887 
12.36311 
1 1 1 -3  14  1  o 245.3226 3.993397  12832.91       399.2423 11899.68       
634.2028 13445.52       513.8349 237.7637 6.353363 252.8816 4.839800 -15.11789 
7.986794 
1 1 1 -3  14  2  o 193.3743 2.277614  7860.958       184.3760 7937.216       
252.0404 7773.170       270.4232 194.3893 3.088296 192.3593 3.348512 2.029984 
4.555228 
1 1 1 -3  14  3  f 24.82932 3.822798  134.6608       38.72386 129.8625       
53.90527 139.7775       55.66471 24.36674 5.411648 25.29189 5.400851 
-0.9251423     7.645595 
1 1 1 -3  14  4  o 329.8758 3.081962  22832.92       419.8142 22663.72       
545.4514 23078.82       657.5528 328.4145 3.955987 331.3371 4.726957 -2.922638 
6.163924 
1 1 1 -3  14  5  o 245.1759 2.772907  12613.20       283.0594 12496.25       
376.0013 12766.16       430.0295 243.8810 3.672253 246.4708 4.155791 -2.589890 
5.545813 
1 1 1 -3  14  6  o 334.7588 3.572585  23378.63       471.0914 23039.00       
572.2768 24092.58       829.7241 331.1089 4.116768 338.4087 5.840005 -7.299835 
7.145169 
1 1 1 -3  14  7  o 204.6364 1.962287  8773.104       167.7812 8582.518       
225.4015 9009.915       251.2554 202.1545 2.655794 207.1182 2.889470 -4.963654 
3.924574 
1 1 1 -3  14  8  o 259.7038 1.824186  13949.42       180.1408 13667.58       
212.4672 14670.06       339.7395 255.1320 1.983572 264.2756 3.062035 -9.143600 
3.648372 
1 1 1 -3  14  9  o 274.8043 4.577458  15867.58       503.3629 15996.29       
853.8660 15799.02       623.1584 275.5399 7.381187 274.0686 5.415770 1.471344 
9.154917 
1 1 1 -3  14  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  14  11 o 144.3006 2.052063  4308.376       114.5261 4541.063       
209.8275 4209.643       136.6809 147.0174 3.399497 141.5837 2.299406 5.433685 
4.104125 
1 1 1 -3  14  12 o 209.0764 2.420202  9306.268       204.3732 8721.558       
333.0374 9659.472       258.8422 203.7103 3.894046 214.4424 2.875051 -10.73212 
4.840404 
1 1 1 -3  14  13 o 315.9047 3.983647  21027.67       492.3214 20944.56       
871.1386 21066.67       596.7603 315.2901 6.581092 316.5193 4.490769 -1.229187 
7.967294 
1 1 1 -3  14  14 o 198.5861 2.518453  8192.042       170.9048 8454.488       
376.1868 8123.786       191.8458 200.4992 4.469018 196.6730 2.323424 3.826157 
5.036906 
1 1 1 -3  14  15 o 114.3955 2.402503  2769.375       112.9538 2653.411       
176.9987 2849.049       146.7118 112.3460 3.752612 116.4449 3.000997 -4.098946 
4.805006 
1 1 1 -3  14  16 o 112.4562 1.963261  2669.595       92.25671 2455.272       
133.2468 2866.944       127.8612 108.0944 2.936126 116.8180 2.607054 -8.723663 
3.926521 
1 1 1 -3  14  17 o 127.2073 2.284867  3377.219       117.5842 3492.234       
195.8164 3312.361       147.0467 128.8657 3.619368 125.5488 2.789739 3.316879 
4.569734 
1 1 1 -3  14  18 o 76.03006 2.280831  1196.820       71.39298 1307.685       
114.6673 1126.639       91.23327 78.85156 3.463779 73.20855 2.968332 5.643013 
4.561662 
1 1 1 -3  14  19 o 74.27888 1.922485  1151.498       58.55193 1197.704       
94.30669 1122.514       74.69160 75.47253 2.976286 73.08525 2.434238 2.387276 
3.844970 
1 1 1 -3  14  20 o 82.25064 2.254175  1416.119       76.38593 1459.968       
121.0601 1387.113       98.46047 83.28671 3.462155 81.21456 2.887680 2.072151 
4.508349 
1 1 1 -3  14  21 o 119.4794 2.487199  3036.604       122.3580 2835.376       
189.1409 3181.424       160.4563 116.0001 3.883721 122.9587 3.108270 -6.958542 
4.974398 
1 1 1 -3  14  22 o 140.1535 2.705939  4039.048       147.9264 4411.293       
268.8956 3877.502       177.1400 144.5761 4.430044 135.7309 3.108559 8.845261 
5.411879 
1 1 1 -3  14  23 o 158.1655 2.057774  5276.906       127.0288 5226.635       
225.4476 5300.291       153.7602 157.5449 3.408493 158.7862 2.306494 -1.241287 
4.115549 
1 1 1 -3  14  24 o 169.7409 3.188725  6112.600       223.9436 5888.714       
343.9346 6277.376       295.0616 166.9430 4.907144 172.5388 4.073304 -5.595840 
6.377450 
1 1 1 -3  14  25 o 133.2098 2.161592  3672.220       111.3371 3896.358       
204.3429 3577.588       132.7764 135.9841 3.579254 130.4354 2.424636 5.548706 
4.323184 
1 1 1 -3  14  26 o 63.27167 2.835374  829.0596       74.16977 935.8847       
117.9062 759.1058       95.41255 66.56096 4.219276 59.98237 3.788811 6.578587 
5.670748 
1 1 1 -3  14  27 o 240.1937 3.373926  12125.60       317.4045 12533.06       
565.0437 11937.75       383.6549 242.6944 5.545535 237.6931 3.844548 5.001251 
6.747852 
1 1 1 -3  14  28 o 162.5883 2.251638  5530.574       136.3298 5686.752       
264.3713 5473.998       159.1181 163.9353 3.841164 161.2414 2.350522 2.693939 
4.503276 
1 1 1 -3  14  29 o 47.24767 3.443856  474.8930       67.11210 480.7184       
105.4725 470.9298       86.99563 47.42527 5.297251 47.07008 4.402238 0.3551826 
6.887712 
1 1 1 -3  14  30 o 90.36130 2.499712  1737.985       91.25788 1704.860       
150.3680 1757.299       114.8215 89.55264 3.999430 91.16996 2.999801 -1.617325 
4.999425 
1 1 1 -3  14  31 o 99.40234 2.394068  2073.407       92.20977 2161.493       
167.7393 2035.260       110.3848 100.6885 3.968041 98.11622 2.679720 2.572250 
4.788136 
1 1 1 -3  14  32 o 24.93027 5.258615  143.2408       60.83319 101.8851       
90.85089 176.8533       81.90514 22.18988 7.819681 27.67066 7.033115 -5.480783 
10.51723 
1 1 1 -3  14  33 o 19.90772 5.461959  66.26812       63.56345 69.04591       
104.7901 64.65111       79.95168 20.73567 8.180427 19.07977 7.239655 1.655899 
10.92392 
1 1 1 -3  14  34 o 26.38461 5.487361  170.2934       65.78745 129.3581       
106.2133 195.7731       83.79672 24.00560 8.455466 28.76362 6.996402 -4.758018 
10.97472 
1 1 1 -3  14  35 o 61.94804 2.951857  769.7651       72.65868 1051.030       
131.3122 645.6491       87.22910 69.27178 4.515125 54.62429 3.803616 14.64750 
5.903715 
1 1 1 -3  14  36 o 49.78622 3.748102  552.6738       76.73484 578.4775       
122.3372 535.9371       98.52631 50.42854 5.778344 49.14390 4.775333 1.284634 
7.496203 
1 1 1 -3  14  37 o 17.02971 5.303422  10.30291       69.70049 9.160774       
123.3845 10.83821       84.46947 18.25330 8.088749 15.80613 6.861289 2.447167 
10.60684 
1 1 1 -3  14  38 o 18.83784 5.342700  63.85876       71.58024 -57.75540      
125.5816 122.3839       87.11749 15.89401 7.450800 21.78168 7.659201 -5.887670 
10.68540 
1 1 1 -3  15  1  o 317.8604 5.381343  21304.16       710.5320 21326.87       
1086.878 21287.21       938.9601 317.9024 8.143444 317.8184 7.037026 
0.8398438E-01  10.76269 
1 1 1 -3  15  2  o 287.8571 2.451220  17393.78       291.5425 17501.91       
455.2414 17318.60       379.5974 288.5916 3.757327 287.1225 3.149033 1.469177 
4.902440 
1 1 1 -3  15  3  o 377.0397 5.084788  29951.81       804.5401 28746.81       
1130.012 31190.57       1145.734 369.3306 7.287673 384.7487 7.092961 -15.41809 
10.16958 
1 1 1 -3  15  4  o 121.2571 2.008244  3086.705       102.0330 3112.893       
149.3580 3063.788       139.7169 121.7370 2.922315 120.7771 2.755404 0.9598541 
4.016488 
1 1 1 -3  15  5  o 185.1333 2.434269  7200.338       187.8645 7195.884       
251.1442 7205.996       283.0735 185.0777 3.232139 185.1889 3.640870 
-0.1112518     4.868537 
1 1 1 -3  15  6  o 100.0714 1.726959  2103.060       72.55490 2106.794       
102.8691 2099.364       102.3491 100.1597 2.446319 99.98303 2.438254 0.1766434 
3.453919 
1 1 1 -3  15  7  o 229.3667 2.420609  10947.05       217.3969 10764.61       
262.5110 11345.32       387.8517 226.3882 2.761943 232.3453 3.976060 -5.957047 
4.841217 
1 1 1 -3  15  8  o 141.2659 2.520838  4180.863       145.6885 4247.097       
234.8572 4139.432       185.7460 142.1582 3.935076 140.3737 3.151773 1.784500 
5.041676 
1 1 1 -3  15  9  o 298.4442 7.447956  18587.50       862.2982 19559.90       
1569.280 18166.90       1032.071 303.4943 12.31604 293.3942 8.378750 10.10016 
14.89591 
1 1 1 -3  15  10 o 246.4189 3.114224  12590.11       266.0137 13080.23       
575.0438 12456.68       300.0486 249.3220 5.493655 243.5159 2.934846 5.806076 
6.228448 
1 1 1 -3  15  11 o 188.4201 2.629129  7388.120       188.3325 7633.250       
353.7738 7291.176       222.4778 190.5343 4.422558 186.3059 2.844338 4.228439 
5.258258 
1 1 1 -3  15  12 o 128.3631 2.217333  3474.467       115.3340 3413.350       
188.9380 3510.767       145.6112 127.4449 3.531165 129.2814 2.682748 -1.836464 
4.434666 
1 1 1 -3  15  13 o 160.5601 3.049120  5399.255       197.4214 5500.587       
330.0809 5342.816       246.3390 161.6888 4.862522 159.4315 3.680274 2.257324 
6.098240 
1 1 1 -3  15  14 o 210.4978 3.038568  9364.558       261.2002 9122.832       
418.6051 9518.681       334.2540 208.2122 4.788719 212.7833 3.741623 -4.571106 
6.077135 
1 1 1 -3  15  15 o 225.4799 3.032310  10638.99       258.4873 10827.25       
488.2277 10565.66       304.6951 226.7518 5.128529 224.2081 3.236945 2.543716 
6.064620 
1 1 1 -3  15  16 o 244.6614 4.433093  12629.19       433.8660 12643.90       
735.0776 12621.33       537.4724 244.5732 7.158885 244.7497 5.230643 
-0.1764984     8.866186 
1 1 1 -3  15  17 o 155.9974 3.085467  4960.906       185.0977 5528.018       
346.7308 4734.875       218.8984 161.9500 5.099557 150.0448 3.474902 11.90520 
6.170934 
1 1 1 -3  15  18 o 244.1898 4.273466  12553.17       413.4680 12740.34       
716.8381 12459.86       506.1491 245.2876 6.960919 243.0919 4.959398 2.195648 
8.546931 
1 1 1 -3  15  19 o 162.3353 2.323040  5468.450       143.7458 5725.345       
269.6365 5366.450       169.9031 164.8883 3.895022 159.7823 2.532758 5.106049 
4.646080 
1 1 1 -3  15  20 o 228.9714 2.999175  11063.72       257.8280 11028.77       
489.8257 11077.11       303.2352 228.5003 5.105942 229.4425 3.147943 
-0.9421844     5.998349 
1 1 1 -3  15  21 o 171.2091 3.073379  6221.851       214.8658 6017.018       
343.6401 6353.335       275.3230 168.7765 4.849678 173.6418 3.776673 -4.865250 
6.146758 
1 1 1 -3  15  22 o 165.0197 3.278489  5633.527       212.8632 6082.882       
379.6006 5427.418       257.0870 169.5656 5.332245 160.4737 3.815903 9.091949 
6.556977 
1 1 1 -3  15  23 o 92.65342 2.237993  1814.847       86.65038 1642.782       
124.0404 1978.843       121.0969 88.33080 3.344815 96.97604 2.974334 -8.645233 
4.475986 
1 1 1 -3  15  24 o 108.3473 2.201090  2481.830       94.88034 2436.291       
161.8275 2505.684       117.1232 107.5393 3.584316 109.1554 2.555752 -1.616150 
4.402180 
1 1 1 -3  15  25 o 48.37527 3.255889  488.2047       65.17981 530.4788       
102.7702 459.7574       84.30470 50.08495 4.887436 46.66559 4.303047 3.419357 
6.511778 
1 1 1 -3  15  26 o 39.52845 3.654433  338.8568       58.21191 301.9656       
93.78788 361.9746       74.24354 37.67546 5.929379 41.38144 4.273406 -3.705982 
7.308867 
1 1 1 -3  15  27 o 66.42580 2.852223  895.6673       77.26065 1093.591       
129.3842 785.9802       96.31864 71.86546 4.288270 60.98612 3.761841 10.87934 
5.704446 
1 1 1 -3  15  28 o 30.04349 4.714188  172.7159       60.06633 326.8000       
101.6641 90.08198       74.45052 39.03347 6.203712 21.05351 7.099876 17.97995 
9.428376 
1 1 1 -3  15  29 o 37.35389 4.386117  305.5577       65.27243 302.2771       
104.7365 307.6409       83.46242 36.77696 7.034438 37.93082 5.241068 -1.153858 
8.772235 
1 1 1 -3  15  30 o 105.5061 2.649748  2309.110       108.8249 2510.854       
198.2178 2222.062       130.2027 108.5163 4.350796 102.4959 3.025760 6.020325 
5.299496 
1 1 1 -3  15  31 o 53.05982 3.302232  585.8196       71.71165 687.4774       
118.3554 526.8512       90.14213 56.50183 4.989379 49.61781 4.327243 6.884026 
6.604464 
1 1 1 -3  15  32 o 42.45724 3.917499  385.2232       67.67855 425.7458       
112.4369 362.1996       84.75151 44.00696 6.085671 40.90751 4.934753 3.099449 
7.834998 
1 1 1 -3  15  33 o 116.8581 2.678268  2829.511       121.4939 3197.626       
224.0376 2676.158       144.6029 121.6225 4.387612 112.0937 3.072675 9.528770 
5.356535 
1 1 1 -3  15  34 o 55.21087 2.932514  657.2463       66.99281 677.2311       
104.5479 643.3236       87.26207 55.78549 4.463906 54.63626 3.804220 1.149231 
5.865027 
1 1 1 -3  15  35 o 44.71371 3.534861  428.2875       64.32533 500.7010       
107.7560 388.1960       80.17855 47.35378 5.420110 42.07364 4.539094 5.280136 
7.069722 
1 1 1 -3  15  36 o 51.42319 3.681952  609.1062       75.50776 531.6962       
122.6081 656.4036       95.83832 48.12486 6.068350 54.72153 4.171594 -6.596668 
7.363904 
1 1 1 -3  15  37 o 41.39095 4.677984  419.1947       74.16247 380.4292       
123.8297 440.8765       92.60832 38.60861 7.911912 44.17328 4.993573 -5.564671 
9.355968 
1 1 1 -3  15  38 o 42.54169 4.824029  436.6621       78.07162 500.0544       
140.4331 408.3060       93.92346 43.30349 8.025782 41.77989 5.354610 1.523602 
9.648058 
1 1 1 -3  16  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  16  2  o 296.9595 3.029516  18560.36       374.1635 18673.32       
497.1407 18412.76       568.2554 298.0378 3.973096 295.8813 4.574536 2.156464 
6.059032 
1 1 1 -3  16  3  o 212.0883 2.937392  9417.961       254.3115 9293.430       
322.7932 9621.750       412.9293 210.2840 3.656278 213.8926 4.598340 -3.608582 
5.874784 
1 1 1 -3  16  4  o 303.9363 2.513685  19226.53       308.5587 18751.40       
384.5161 20085.82       517.1034 298.7557 3.065627 309.1169 3.984517 -10.36121 
5.027370 
1 1 1 -3  16  5  o 60.42996 2.004087  766.1927       50.78585 715.6983       
70.62083 820.2751       73.08672 58.36969 2.881817 62.49024 2.785784 -4.120548 
4.008174 
1 1 1 -3  16  6  o 144.2348 1.943932  4370.569       117.6152 4387.850       
163.1896 4351.890       169.6655 144.5336 2.689335 143.9361 2.807662 0.5974274 
3.887864 
1 1 1 -3  16  7  o 97.83340 2.036166  1978.434       80.75615 2131.830       
135.0096 1892.976       100.7710 100.7310 3.192436 94.93576 2.528289 5.795280 
4.072333 
1 1 1 -3  16  8  o 147.1299 3.735286  4396.452       175.1075 4802.214       
428.1307 4314.938       191.8919 150.9515 6.755538 143.3082 3.189382 7.643311 
7.470573 
1 1 1 -3  16  9  f 143.3529 6.138575  4328.358       369.4478 4328.358       
369.4478 0.000000       0.000000 143.3529 6.138575 ?        ?        ? ? 
1 1 1 -3  16  10 o 194.3045 3.562683  7851.917       272.9821 8210.918       
481.3626 7681.727       331.4309 197.4652 5.806345 191.1438 4.130037 6.321381 
7.125367 
1 1 1 -3  16  11 o 82.37643 2.133906  1427.217       72.15165 1418.724       
114.6349 1432.789       92.84988 82.16545 3.323141 82.58742 2.677864 
-0.4219666     4.267813 
1 1 1 -3  16  12 o 369.0947 4.996100  28833.72       749.2818 28399.00       
1219.616 29097.27       949.6279 366.6050 7.924022 371.5843 6.087193 -4.979309 
9.992200 
1 1 1 -3  16  13 o 173.7819 2.443717  6322.793       164.9714 6414.991       
297.1358 6281.709       198.3513 174.6498 4.052360 172.9139 2.732286 1.735825 
4.887434 
1 1 1 -3  16  14 o 39.84154 3.100530  335.5597       51.47218 319.8419       
76.61347 348.4912       69.49181 38.98051 4.681432 40.70257 4.066613 -1.722061 
6.201060 
1 1 1 -3  16  15 o 24.46614 4.773202  131.5699       50.37631 116.7163       
79.28968 141.6243       65.23500 23.53235 7.284682 25.39993 6.169868 -1.867580 
9.546405 
1 1 1 -3  16  16 o 171.6249 2.301036  6220.693       161.0140 6077.354       
259.3405 6310.603       205.3954 169.9738 3.634205 173.2761 2.823404 -3.302322 
4.602071 
1 1 1 -3  16  17 o 100.7635 2.118793  2141.425       88.41746 2093.112       
135.9376 2176.852       116.4048 99.76130 3.245627 101.7656 2.724525 -2.004341 
4.237585 
1 1 1 -3  16  18 o 117.2994 2.149878  2890.234       103.2568 2909.591       
165.6986 2877.944       132.0260 117.5960 3.356198 117.0029 2.687720 0.5930939 
4.299756 
1 1 1 -3  16  19 o 152.3127 2.640595  4881.641       161.3656 4899.481       
271.8640 4871.936       200.5051 152.4551 4.247474 152.1702 3.138462 0.2848663 
5.281191 
1 1 1 -3  16  20 o 192.8937 3.369066  7854.516       258.0519 7862.219       
443.9361 7850.584       317.1330 192.7822 5.484974 193.0052 3.913754 
-0.2229919     6.738132 
1 1 1 -3  16  21 o 173.0895 2.610185  6359.388       182.1322 6141.727       
300.5480 6485.711       228.9634 170.6375 4.195275 175.5415 3.106757 -4.904068 
5.220371 
1 1 1 -3  16  22 o 161.0130 3.068328  5495.924       202.9226 5340.311       
319.7215 5600.893       262.5909 159.0063 4.789373 163.0198 3.836723 -4.013535 
6.136655 
1 1 1 -3  16  23 o 118.1943 2.222141  2957.389       108.7023 2832.788       
166.5094 3049.935       143.5005 115.9831 3.419519 120.4056 2.838756 -4.422447 
4.444283 
1 1 1 -3  16  24 o 187.0581 3.549442  7390.079       269.0654 7431.343       
443.0853 7365.974       338.6568 187.2956 5.634831 186.8206 4.317735 0.4749298 
7.098884 
1 1 1 -3  16  25 o 113.7578 2.101061  2755.638       98.68855 2528.409       
150.2841 2927.919       130.8573 109.5524 3.267474 117.9632 2.642241 -8.410767 
4.202122 
1 1 1 -3  16  26 o 88.76105 2.547517  1614.003       92.43173 1873.235       
152.9730 1464.931       116.0028 94.17361 3.869071 83.34849 3.315064 10.82513 
5.095033 
1 1 1 -3  16  27 o 51.58438 3.188288  576.8575       67.48663 475.7099       
100.3892 660.2588       91.15819 47.29901 5.055408 55.86975 3.886333 -8.570747 
6.376576 
1 1 1 -3  16  28 o 155.8644 2.748663  5162.135       171.6015 5090.210       
288.6851 5201.435       213.3944 154.8088 4.441706 156.9201 3.239110 -2.111298 
5.497325 
1 1 1 -3  16  29 o 99.18342 2.391253  2098.043       97.92633 1985.731       
150.6127 2180.292       128.8886 96.78501 3.706591 101.5818 3.022175 -4.796814 
4.782506 
1 1 1 -3  16  30 o 125.6126 2.926584  3323.039       143.5842 3469.953       
257.4168 3256.686       172.9966 127.2725 4.817518 123.9527 3.324319 3.319832 
5.853168 
1 1 1 -3  16  31 o 31.47656 5.227592  223.1967       66.47323 253.3742       
108.2051 204.9042       84.24442 33.01834 7.899884 29.93478 6.848556 3.083559 
10.45518 
1 1 1 -3  16  32 o 81.74467 2.828469  1390.951       93.81609 1593.151       
158.0668 1280.984       116.5681 86.03004 4.376345 77.45930 3.584489 8.570732 
5.656939 
1 1 1 -3  16  33 o 72.79168 2.995035  1143.152       89.10699 1148.702       
143.3661 1139.659       113.7458 72.70225 4.696992 72.88111 3.717420 
-0.1788635     5.990071 
1 1 1 -3  16  34 o 46.48701 3.773006  477.2256       71.08949 481.3366       
116.6835 474.7988       89.64880 46.33212 5.998576 46.64189 4.578144 
-0.3097649     7.546013 
1 1 1 -3  16  35 o 31.11430 4.992717  239.2262       62.92037 194.3001       
106.1089 263.5903       78.14080 27.89494 8.385805 34.33365 5.420994 -6.438713 
9.985435 
1 1 1 -3  16  36 o 39.32247 4.311086  338.8065       68.43964 421.0489       
117.8618 296.9683       84.06435 42.44178 6.614554 36.20316 5.530780 6.238621 
8.622172 
1 1 1 -3  16  37 o 58.79055 3.142901  738.1824       75.01794 901.7300       
127.1410 650.8347       92.91575 63.30127 4.784036 54.27983 4.077293 9.021435 
6.285803 
1 1 1 -3  16  38 o 35.12797 4.971846  327.8246       68.53925 266.0385       
112.8459 363.9404       86.27598 30.73446 8.475859 39.52148 5.199694 -8.787024 
9.943691 
1 1 1 -3  17  1  o 179.8313 2.304982  6760.131       173.2818 6419.800       
232.4645 7185.689       259.9473 174.7721 3.168149 184.8904 3.348820 -10.11838 
4.609964 
1 1 1 -3  17  2  o 241.8870 5.451484  12323.88       553.6129 0.000000       
0.000000 12323.88       553.6129 ?        ?        241.8870 5.451484 ? ? 
1 1 1 -3  17  3  o 184.4329 3.026024  7147.593       234.3094 7147.593       
234.3094 0.000000       0.000000 184.4329 3.026024 ?        ?        ? ? 
1 1 1 -3  17  4  o 74.16231 1.968674  1156.091       61.10968 1163.237       
83.37141 1147.794       89.83429 74.41257 2.668652 73.91204 2.894996 0.5005264 
3.937348 
1 1 1 -3  17  5  o 97.74031 1.799856  2005.844       73.80946 2108.920       
105.5107 1907.062       103.2895 100.1992 2.508147 95.28140 2.582076 4.917809 
3.599711 
1 1 1 -3  17  6  o 161.0290 2.760895  5438.524       186.3982 5200.368       
255.5938 5709.076       272.4241 157.2747 3.870906 164.7832 3.937799 -7.508575 
5.521791 
1 1 1 -3  17  7  o 121.8468 1.912119  3045.332       89.48263 3300.329       
167.0263 2942.682       105.9740 125.3224 3.174513 118.3711 2.132429 6.951393 
3.824237 
1 1 1 -3  17  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  17  9  o 148.0102 2.100044  4638.239       123.0630 4496.065       
211.3242 4711.192       151.3794 146.2569 3.441551 149.7635 2.407587 -3.506653 
4.200089 
1 1 1 -3  17  10 o 235.5035 2.870433  11339.96       218.0785 12175.10       
522.7573 11164.00       239.9556 240.4720 5.177936 230.5350 2.479220 9.937012 
5.740867 
1 1 1 -3  17  11 o 40.88050 3.018471  354.2939       51.10626 333.2024       
77.64393 370.4170       67.88538 39.79058 4.647809 41.97043 3.852600 -2.179848 
6.036941 
1 1 1 -3  17  12 o 275.4306 2.864108  16008.27       286.7594 15855.97       
572.1036 16059.37       331.3950 274.4106 4.965865 276.4507 2.855284 -2.040070 
5.728216 
1 1 1 -3  17  13 o 138.5993 2.715490  4084.794       154.0054 3830.805       
242.8086 4255.744       199.2013 134.9212 4.286521 142.2774 3.334857 -7.356232 
5.430979 
1 1 1 -3  17  14 o 88.28374 2.217775  1645.820       81.72482 1557.160       
120.2655 1721.885       111.3961 86.05670 3.328720 90.51079 2.931506 -4.454086 
4.435551 
1 1 1 -3  17  15 o 68.45156 2.281324  983.0012       64.38104 997.2245       
101.4416 973.4081       83.30983 68.85450 3.509172 68.04862 2.916070 0.8058777 
4.562648 
1 1 1 -3  17  16 o 56.78156 2.517714  657.5895       59.03700 803.8204       
94.37712 563.5839       75.67011 61.80573 3.637132 51.75739 3.482356 10.04835 
5.035427 
1 1 1 -3  17  17 o 20.75918 4.710703  84.52467       45.74840 112.4138       
74.11363 67.35670       58.14869 22.99036 7.027954 18.52800 6.274612 4.462362 
9.421406 
1 1 1 -3  17  18 o 285.2700 3.468644  17027.32       361.5248 17485.19       
721.7747 16873.98       417.6991 287.4234 5.981369 283.1165 3.514142 4.306824 
6.937288 
1 1 1 -3  17  19 o 205.3781 2.744035  8855.632       214.6014 8966.354       
399.8971 8810.851       254.3243 206.1120 4.621320 204.6442 2.960121 1.467789 
5.488070 
1 1 1 -3  17  20 o 93.05971 2.370946  1777.820       87.30516 1958.712       
154.6488 1693.201       105.7723 96.40474 3.820930 89.71468 2.808209 6.690063 
4.741893 
1 1 1 -3  17  21 o 13.72211 4.315757  -49.70040      54.65304 -151.7181      
87.42413 15.74650       70.02257 11.63747 5.654613 15.80676 6.521380 -4.169295 
8.631515 
1 1 1 -3  17  22 o 96.73294 2.332403  1945.637       91.75787 2066.409       
151.7156 1875.981       115.2193 99.03893 3.648761 94.42695 2.906366 4.611977 
4.664806 
1 1 1 -3  17  23 o 292.1957 4.731313  17932.87       539.9650 18730.26       
968.3934 17573.11       650.4681 296.2157 7.786903 288.1757 5.376378 8.040039 
9.462626 
1 1 1 -3  17  24 o 148.6282 3.001430  4686.681       181.7477 4562.225       
292.9140 4764.591       231.7556 146.9122 4.749013 150.3443 3.671676 -3.432068 
6.002860 
1 1 1 -3  17  25 o 184.5847 2.664948  7244.386       198.4480 6989.116       
326.7765 7393.537       249.7833 181.8482 4.280188 187.3211 3.176126 -5.472946 
5.329895 
1 1 1 -3  17  26 o 135.1539 2.425192  3880.729       134.8460 3719.546       
210.6252 3992.681       175.5364 132.6825 3.781097 137.6254 3.038013 -4.942902 
4.850383 
1 1 1 -3  17  27 o 111.4090 2.682682  2627.740       120.6022 2619.081       
200.1501 2632.677       151.1164 111.1444 4.289330 111.6736 3.223162 
-0.5292282     5.365363 
1 1 1 -3  17  28 o 107.0151 2.398531  2415.406       105.5045 2452.051       
167.7443 2391.421       135.7080 107.6079 3.712998 106.4224 3.037342 1.185539 
4.797061 
1 1 1 -3  17  29 o 136.6654 2.215082  3897.812       115.7960 4077.496       
215.7276 3825.088       137.2430 138.6453 3.706139 134.6855 2.427115 3.959732 
4.430164 
1 1 1 -3  17  30 o 14.40411 4.683059  -55.59122      62.89425 -79.64206      
105.2665 -42.23925      78.43285 15.08346 6.987174 13.72477 6.237274 1.358689 
9.366118 
1 1 1 -3  17  31 o 82.35577 2.801048  1438.072       92.72646 1489.831       
156.5747 1410.114       115.0770 83.28379 4.477980 81.42775 3.366180 1.856041 
5.602095 
1 1 1 -3  17  32 o 65.53085 3.175666  920.9929       83.70729 947.4144       
140.7808 906.5432       104.1101 66.00231 5.080486 65.05939 3.811570 0.9429169 
6.351331 
1 1 1 -3  17  33 o 70.84787 2.943467  1053.091       84.18684 1196.576       
143.3918 977.6158       103.9977 74.20415 4.602747 67.49158 3.670246 6.712570 
5.886934 
1 1 1 -3  17  34 o 17.48115 5.244683  13.24972       65.31158 57.36771       
107.3816 -12.65318      82.28034 19.98003 8.131108 14.98227 6.626605 4.997758 
10.48937 
1 1 1 -3  17  35 o 48.24049 3.597530  496.6442       71.38348 645.3892       
115.0602 403.5677       91.01732 53.87746 5.086735 42.60352 5.088615 11.27394 
7.195059 
1 1 1 -3  17  36 o 46.92548 4.036591  521.6329       74.83648 425.5200       
120.4636 582.0393       95.50066 42.51927 6.748250 51.33169 4.431409 -8.812416 
8.073182 
1 1 1 -3  17  37 o 20.40587 5.661770  86.98297       68.98595 101.6216       
112.8008 78.23642       87.19286 21.46132 8.480807 19.35041 7.503231 2.110912 
11.32354 
1 1 1 -3  17  38 o 21.71422 5.524116  123.1810       68.10064 61.89052       
107.2229 164.6221       88.16710 18.79806 7.929578 24.63039 7.693192 -5.832325 
11.04823 
1 1 1 -3  18  1  o 163.3633 2.716118  5669.725       174.5600 5456.347       
302.8995 5775.833       213.5969 160.9720 4.481974 165.7545 3.069380 -4.782547 
5.432236 
1 1 1 -3  18  2  o 63.25486 2.103163  835.3067       55.61608 781.8337       
74.57175 902.3298       83.48720 60.99081 2.912266 65.51891 3.035109 -4.528107 
4.206326 
1 1 1 -3  18  3  o 125.0145 2.543450  3285.171       133.3898 3107.587       
186.6364 3470.598       190.7130 121.5587 3.657054 128.4703 3.535889 -6.911583 
5.086900 
1 1 1 -3  18  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  18  5  o 173.8571 3.249122  6178.666       219.7655 6848.460       
402.7123 5894.606       262.2589 180.2924 5.320329 167.4217 3.731122 12.87070 
6.498244 
1 1 1 -3  18  6  o 115.4994 2.280333  2785.486       107.5323 2882.521       
175.0393 2726.665       136.2811 117.0875 3.560787 113.9112 2.849643 3.176308 
4.560665 
1 1 1 -3  18  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  18  8  o 137.5284 2.087312  3987.515       112.5342 3939.321       
197.9797 4010.518       136.7792 136.8846 3.444983 138.1721 2.357874 -1.287491 
4.174623 
1 1 1 -3  18  9  o 290.5825 3.667101  17553.53       409.4856 18369.73       
757.2833 17216.27       486.7896 295.0933 6.112519 286.0717 4.053101 9.021515 
7.334201 
1 1 1 -3  18  10 o 32.90847 3.820171  231.7558       50.70532 232.0309       
78.98593 231.5629       66.13076 32.65480 5.984441 33.16214 4.749873 
-0.5073433     7.640342 
1 1 1 -3  18  11 o 104.9512 2.123003  2249.675       90.40421 2564.939       
152.3329 2078.269       112.3229 110.4532 3.285008 99.44917 2.690223 11.00405 
4.246007 
1 1 1 -3  18  12 f 213.4483 3.489588  9643.353       301.3268 9432.077       
494.8723 9767.838       379.8642 211.4733 5.573895 215.4234 4.200070 -3.950134 
6.979175 
1 1 1 -3  18  13 o 367.1796 5.414663  28501.53       751.4285 28737.12       
1415.075 28409.01       886.7866 367.4750 9.172183 366.8841 5.757200 0.5909119 
10.82933 
1 1 1 -3  18  14 o 91.34503 2.062324  1764.138       78.13695 1685.017       
118.6483 1824.733       103.8325 89.51431 3.157112 93.17574 2.654310 -3.661430 
4.124648 
1 1 1 -3  18  15 o 177.8577 2.746444  6551.734       187.9097 6929.418       
347.7542 6395.981       223.3195 181.3194 4.568244 174.3960 3.050079 6.923386 
5.492889 
1 1 1 -3  18  16 o 114.3560 2.428847  2751.011       112.2927 2756.114       
185.8635 2748.078       140.9195 114.4006 3.869785 114.3113 2.936318 
0.8930206E-01  4.857695 
1 1 1 -3  18  17 o 75.81027 2.316048  1175.719       71.53139 1346.499       
119.3142 1079.894       89.37414 79.97091 3.553703 71.64964 2.971111 8.321266 
4.632095 
1 1 1 -3  18  18 o 195.1194 2.613455  8014.941       196.4648 8032.484       
357.9190 8007.377       235.0388 195.1366 4.368850 195.1021 2.869449 
0.3445435E-01  5.226911 
1 1 1 -3  18  19 o 154.6483 3.055531  5057.780       193.5234 4991.237       
308.7347 5100.847       248.3750 153.7202 4.783827 155.5764 3.802641 -1.856110 
6.111062 
1 1 1 -3  18  20 o 163.7047 2.539742  5553.519       155.0112 5846.148       
301.8311 5448.688       180.6557 166.4573 4.318991 160.9520 2.673476 5.505264 
5.079484 
1 1 1 -3  18  21 f 152.6819 2.723503  4944.228       170.9581 4752.929       
267.8226 5075.775       222.0909 150.1075 4.249773 155.2561 3.407242 -5.148605 
5.447005 
1 1 1 -3  18  22 o 77.80571 2.408403  1256.648       77.09243 1363.356       
123.9446 1189.318       98.45473 80.44128 3.670030 75.17014 3.119696 5.271149 
4.816806 
1 1 1 -3  18  23 o 164.6503 2.859182  5705.779       190.1407 5764.106       
316.0198 5672.683       238.0501 165.2017 4.556390 164.0989 3.455285 1.102798 
5.718364 
1 1 1 -3  18  24 o 149.8134 2.252405  4663.114       133.4584 4919.400       
234.4175 4540.208       162.3351 152.7348 3.655721 146.8918 2.632303 5.843002 
4.504810 
1 1 1 -3  18  25 o 83.74493 2.670321  1447.083       91.48525 1628.090       
150.4265 1340.836       115.2490 87.76431 4.082512 79.72555 3.443189 8.038757 
5.340642 
1 1 1 -3  18  26 o 110.2362 2.525714  2534.947       110.6227 2666.574       
192.3422 2469.887       135.2259 112.2407 4.081741 108.2317 2.975957 4.009018 
5.051429 
1 1 1 -3  18  27 o 85.10075 2.428284  1507.366       84.87888 1640.560       
137.1986 1424.779       108.0350 88.05099 3.711390 82.15052 3.132384 5.900467 
4.856567 
1 1 1 -3  18  28 o 96.55368 2.302149  1942.176       90.42776 2086.711       
149.7163 1859.166       113.4617 99.26420 3.592507 93.84317 2.879837 5.421028 
4.604299 
1 1 1 -3  18  29 o 30.70775 5.337578  209.2008       67.00589 245.1807       
108.7580 187.1879       85.06875 32.69922 7.981161 28.71629 7.089430 3.982937 
10.67516 
1 1 1 -3  18  30 o 121.4094 2.836956  3164.931       136.2476 3082.425       
234.2353 3207.120       167.4986 119.8688 4.654437 122.9500 3.244919 -3.081139 
5.673912 
1 1 1 -3  18  31 o 96.76640 2.521898  1907.814       96.00968 2251.062       
174.1478 1757.929       115.0782 102.5276 4.045744 91.00525 3.011949 11.52231 
5.043797 
1 1 1 -3  18  32 o 40.27712 3.906483  361.3559       62.44896 337.2492       
104.9886 374.5549       77.68623 38.91512 6.426060 41.63913 4.443892 -2.724010 
7.812965 
1 1 1 -3  18  33 o 36.42798 4.426432  303.8487       62.70969 293.6604       
105.0236 309.4937       78.17544 35.25294 7.338408 37.60302 4.951864 -2.350075 
8.852864 
1 1 1 -3  18  34 o 24.01377 5.539565  121.3109       66.06409 206.1822       
104.7197 65.20198       85.14598 28.89894 8.231789 19.12860 7.415172 9.770340 
11.07913 
1 1 1 -3  18  35 o 28.32357 5.168988  159.1237       68.70877 362.5885       
115.1181 46.53391       85.63446 38.72239 7.347200 17.92476 7.272717 20.79763 
10.33798 
1 1 1 -3  18  36 o 33.98663 5.253225  282.6075       71.18336 306.3575       
116.0162 268.2684       90.14604 34.64149 8.111545 33.33176 6.677451 1.309734 
10.50645 
1 1 1 -3  18  37 o 26.23143 5.558690  190.3187       71.06306 104.1137       
116.3327 241.6349       89.75578 21.55154 8.582156 30.91132 7.067016 -9.359776 
11.11738 
1 1 1 -3  18  38 o 18.32737 5.301894  61.89767       61.99863 89.20067       
106.6487 47.96054       76.19683 19.98551 8.113374 16.66923 6.827407 3.316280 
10.60379 
1 1 1 -3  19  1  o 57.21928 2.609591  719.6712       59.97047 532.3326       
90.56204 865.9799       80.03271 50.26602 4.291338 64.17255 2.970567 -13.90652 
5.219182 
1 1 1 -3  19  2  o 240.7968 3.655533  12382.93       356.4774 11635.01       
577.3868 12843.63       453.1583 234.6785 5.860229 246.9150 4.371430 -12.23642 
7.311066 
1 1 1 -3  19  3  o 19.77490 4.273088  82.65611       39.63138 103.0869       
54.14311 59.07522       58.16750 21.72179 5.818540 17.82801 6.259532 3.893780 
8.546177 
1 1 1 -3  19  4  o 54.17954 2.546519  624.7358       56.36534 584.5550       
89.19496 651.4495       72.72739 52.69720 4.031566 55.66187 3.112155 -2.964668 
5.093038 
1 1 1 -3  19  5  o 120.9228 2.779173  3098.440       137.9389 2972.625       
217.0372 3183.699       178.6642 118.8146 4.350963 123.0309 3.458951 -4.216286 
5.558347 
1 1 1 -3  19  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  19  7  f 29.24177 4.381889  186.8256       51.72319 191.6391       
78.80436 183.1825       68.55684 29.53534 6.529365 28.94820 5.845614 0.5871315 
8.763779 
1 1 1 -3  19  8  o 125.6144 2.280597  3333.487       116.2960 3255.601       
189.3620 3380.654       147.3609 124.4031 3.625624 126.8258 2.767550 -2.422760 
4.561194 
1 1 1 -3  19  9  o 173.0157 2.752507  6213.677       192.0796 6603.749       
324.0774 6002.445       238.4820 177.0899 4.358890 168.9416 3.362328 8.148331 
5.505013 
1 1 1 -3  19  10 o 108.8332 2.241625  2491.686       98.73448 2486.761       
162.8756 2494.547       124.1450 108.7234 3.568242 108.9431 2.714256 
-0.2196808     4.483251 
1 1 1 -3  19  11 o 46.70298 2.777766  466.7603       53.19654 418.3581       
82.13347 501.7375       69.82008 44.56672 4.389657 48.83924 3.405121 -4.272514 
5.555532 
1 1 1 -3  19  12 o 101.5564 2.250532  2183.592       95.09910 2041.265       
141.5189 2300.782       128.4149 98.50391 3.422015 104.6090 2.923934 -6.105042 
4.501064 
1 1 1 -3  19  13 o 138.3497 2.236838  4034.488       128.4772 3966.803       
196.0540 4085.432       170.0885 137.3093 3.400923 139.3902 2.906456 -2.080902 
4.473675 
1 1 1 -3  19  14 f 95.42955 2.212045  1886.524       85.66785 2027.085       
142.7507 1807.408       107.0971 98.14300 3.464494 92.71611 2.751335 5.426888 
4.424089 
1 1 1 -3  19  15 o 82.60750 2.256132  1437.490       77.49967 1423.457       
117.7258 1448.224       102.9554 82.23763 3.409746 82.97737 2.955362 
-0.7397461     4.512265 
1 1 1 -3  19  16 o 315.2251 3.900776  20430.38       362.0347 21849.87       
969.2934 20200.25       390.2798 320.5848 7.201674 309.8654 3.000020 10.71942 
7.801552 
1 1 1 -3  19  17 o 323.3871 4.658003  22061.89       558.3998 22507.34       
1087.470 21902.38       650.7410 324.7397 7.976332 322.0346 4.813119 2.705017 
9.316007 
1 1 1 -3  19  18 o 62.06300 2.582081  810.0436       66.63229 822.0127       
101.8602 801.0906       88.09587 62.44813 3.885135 61.67788 3.402101 0.7702446 
5.164161 
1 1 1 -3  19  19 o 151.6535 2.822693  4842.733       174.4861 4874.676       
283.3449 4823.220       221.4583 151.9776 4.440754 151.3294 3.485699 0.6482544 
5.645387 
1 1 1 -3  19  20 o 73.82977 2.244265  1141.916       67.43298 1169.200       
110.4050 1125.681       85.16398 74.50623 3.529534 73.15330 2.772957 1.352936 
4.488530 
1 1 1 -3  19  21 o 171.6576 3.208152  6166.959       216.4343 6371.891       
382.9453 6070.772       262.3557 173.5710 5.255094 169.7442 3.681432 3.826859 
6.416304 
1 1 1 -3  19  22 o 55.75749 3.012943  680.3127       67.94045 522.5908       
102.3892 804.3881       90.81359 49.72201 4.904859 61.79297 3.500522 -12.07096 
6.025886 
1 1 1 -3  19  23 o 175.4389 2.324220  6507.120       157.5352 6423.963       
284.5085 6543.888       189.1838 174.5055 3.883356 176.3724 2.554904 -1.866882 
4.648439 
1 1 1 -3  19  24 o 88.75867 2.409709  1676.268       87.98040 1580.817       
136.8148 1743.573       114.8848 86.54046 3.765605 90.97689 3.007825 -4.436432 
4.819418 
1 1 1 -3  19  25 o 136.9567 2.482752  3953.619       138.7574 3987.741       
224.7486 3932.602       176.3885 137.3424 3.897746 136.5710 3.076329 0.7713928 
4.965504 
1 1 1 -3  19  26 o 132.4593 2.458724  3687.246       131.4888 3781.138       
219.5014 3634.696       164.2124 133.6515 3.911871 131.2671 2.979690 2.384384 
4.917448 
1 1 1 -3  19  27 o 139.5325 2.373933  4129.808       133.6741 4065.383       
221.1027 4166.924       167.8175 138.5327 3.801569 140.5322 2.844345 -1.999573 
4.747866 
1 1 1 -3  19  28 o 96.27214 2.850028  1974.303       114.8602 1825.917       
163.8287 2117.751       161.0799 92.65215 4.211682 99.89214 3.840883 -7.239990 
5.700057 
1 1 1 -3  19  29 o 61.48249 2.891755  806.3719       73.46474 800.7309       
114.2258 810.3514       95.93988 61.21574 4.444493 61.74925 3.700740 
-0.5335159     5.783511 
1 1 1 -3  19  30 o 22.80829 5.738176  100.1400       68.33245 137.2248       
108.4158 75.69832       88.01566 25.15936 8.567679 20.45722 7.635545 4.702135 
11.47635 
1 1 1 -3  19  31 o 29.79416 5.369662  193.8170       67.81178 293.8105       
109.2054 131.0642       86.51169 35.51835 7.550203 24.06996 7.637245 11.44839 
10.73932 
1 1 1 -3  19  32 o 37.23000 4.913743  352.2959       70.85619 194.4856       
111.4355 459.4031       91.80482 28.48597 8.599802 45.97403 4.756352 -17.48806 
9.827486 
1 1 1 -3  19  33 o 21.19331 5.602912  67.11279       68.97366 158.0621       
111.4171 10.60072       87.82593 25.86360 8.685458 16.52302 7.080487 9.340578 
11.20582 
1 1 1 -3  19  34 o 17.50968 5.254650  -1.312245      68.22598 83.17316       
108.8401 -55.99738      87.56541 21.22540 8.348612 13.79396 6.383264 7.431441 
10.50930 
1 1 1 -3  19  35 o 32.33799 5.293201  264.2410       71.78139 201.6891       
112.6149 307.0461       93.15868 28.05363 8.681065 36.62234 6.058963 -8.568718 
10.58640 
1 1 1 -3  19  36 o 68.79780 3.304030  1083.336       91.49409 936.6782       
145.2097 1179.893       117.8245 64.15824 5.390937 73.43736 3.821552 -9.279114 
6.608060 
1 1 1 -3  19  37 o 33.09651 5.515481  295.4212       74.97207 255.7014       
117.9993 322.3099       97.08691 30.18367 8.784040 36.00935 6.672535 -5.825672 
11.03096 
1 1 1 -3  19  38 o 27.41547 5.877945  215.7367       74.59242 183.9929       
110.6430 242.1858       100.9951 25.23900 8.654737 29.59193 7.955911 -4.352926 
11.75589 
1 1 1 -3  20  1  o 134.1412 2.794060  3793.492       155.7679 3779.281       
237.5032 3804.220       206.3462 133.8838 4.225348 134.3986 3.656981 
-0.5147858     5.588120 
1 1 1 -3  20  2  o 179.3537 2.492102  6821.473       180.6899 6585.779       
296.2367 6961.113       228.0175 176.7951 3.991072 181.9122 2.985571 -5.117126 
4.984204 
1 1 1 -3  20  3  o 87.99853 2.359926  1621.541       84.00309 1659.470       
139.5865 1600.005       105.1817 88.77299 3.745273 87.22407 2.872269 1.548920 
4.719852 
1 1 1 -3  20  4  o 56.30612 2.826305  678.0133       65.77794 567.5986       
95.91264 776.0607       90.38167 51.89132 4.402528 60.72092 3.545382 -8.829601 
5.652609 
1 1 1 -3  20  5  o 243.8887 9.761684  12733.49       999.5289 0.000000       
0.000000 12733.49       999.5289 ?        ?        243.8887 9.761684 ? ? 
1 1 1 -3  20  6  o 113.7855 3.144876  2732.352       149.4977 2766.594       
202.3798 2691.224       221.7949 114.5953 4.206507 112.9757 4.676141 1.619583 
6.289753 
1 1 1 -3  20  7  o 193.5125 4.623302  7894.661       375.6128 0.000000       
0.000000 7894.661       375.6128 ?        ?        193.5125 4.623302 ? ? 
1 1 1 -3  20  8  o 186.7308 6.730031  7386.350       527.6088 7386.350       
527.6088 0.000000       0.000000 186.7308 6.730031 ?        ?        ? ? 
1 1 1 -3  20  9  o 44.26819 3.380560  413.7361       61.37297 411.1912       
97.71819 415.3940       78.86892 44.13333 5.273874 44.40305 4.230719 
-0.2697182     6.761119 
1 1 1 -3  20  10 o 156.6901 2.653288  5197.455       166.5745 5072.576       
279.4680 5266.266       207.4521 155.1517 4.290389 158.2286 3.122870 -3.076935 
5.306576 
1 1 1 -3  20  11 o 115.7089 2.084747  2805.496       96.73253 2850.348       
163.6638 2781.416       119.9204 116.3855 3.349460 115.0322 2.483103 1.353310 
4.169494 
1 1 1 -3  20  12 o 85.42096 2.123942  1551.625       75.13852 1411.621       
112.8478 1663.128       100.7091 81.90475 3.281746 88.93717 2.697157 -7.032417 
4.247884 
1 1 1 -3  20  13 o 226.4865 3.784410  10816.16       333.6165 10906.74       
597.4268 10775.11       402.1624 226.8899 6.271776 226.0830 4.236963 0.8069458 
7.568819 
1 1 1 -3  20  14 o 182.8005 2.496238  7080.883       172.4788 6933.333       
322.6892 7139.898       204.0768 181.3343 4.238629 184.2666 2.637959 -2.932297 
4.992475 
1 1 1 -3  20  15 f 115.5985 2.079332  2741.463       94.74339 3012.812       
169.0507 2617.204       114.3978 119.6247 3.366025 111.5724 2.442203 8.052284 
4.158663 
1 1 1 -3  20  16 o 59.75473 2.569340  725.8854       63.11788 887.0875       
102.8509 628.4993       79.94135 64.88160 3.775789 54.62787 3.485606 10.25373 
5.138680 
1 1 1 -3  20  17 o 122.8179 2.043461  3209.920       101.7257 3029.451       
164.6824 3321.267       129.3549 119.9552 3.270011 125.6806 2.451521 -5.725441 
4.086922 
1 1 1 -3  20  18 o 199.9469 2.786054  8275.057       208.4034 8764.726       
404.1268 8097.661       243.2413 203.7196 4.725045 196.1742 2.953362 7.545380 
5.572109 
1 1 1 -3  20  19 o 118.4270 2.197379  2837.334       101.5604 3260.486       
186.3654 2658.587       121.1263 124.4152 3.567904 112.4388 2.565922 11.97636 
4.394757 
1 1 1 -3  20  20 o 73.76471 2.443387  1121.725       72.99335 1236.016       
122.8412 1059.345       90.75269 76.58099 3.820711 70.94843 3.046757 5.632568 
4.886775 
1 1 1 -3  20  21 o 91.17639 2.242810  1733.134       83.22882 1818.405       
136.9904 1683.244       104.7853 92.90684 3.512074 89.44594 2.790362 3.460899 
4.485620 
1 1 1 -3  20  22 o 133.5592 2.659507  3672.719       140.2354 4020.598       
249.1643 3511.430       169.6579 137.9859 4.301027 129.1326 3.129389 8.853363 
5.319014 
1 1 1 -3  20  23 o 91.96174 2.223480  1787.510       83.26842 1758.526       
134.7582 1805.412       105.9059 91.31404 3.515108 92.60944 2.723868 -1.295395 
4.446959 
1 1 1 -3  20  24 o 163.4362 2.144208  5569.376       134.3014 5779.346       
249.0267 5483.259       159.4820 165.4520 3.585048 161.4204 2.353284 4.031540 
4.288416 
1 1 1 -3  20  25 o 90.84135 2.242831  1759.312       83.12859 1661.419       
132.3279 1823.130       106.8421 88.67149 3.554582 93.01121 2.736077 -4.339714 
4.485662 
1 1 1 -3  20  26 o 44.54679 3.676754  411.5331       67.59639 489.2603       
108.4877 362.2079       86.42281 47.86145 5.399029 41.23213 4.992450 6.629326 
7.353507 
1 1 1 -3  20  27 o 79.04266 3.030363  1328.694       100.4577 1318.863       
145.1048 1337.743       139.2155 78.73727 4.389575 79.34806 4.178998 
-0.6107864     6.060726 
1 1 1 -3  20  28 o 94.22189 2.638993  1887.535       104.0360 1697.933       
146.2454 2081.790       148.0291 89.37656 3.897442 99.06721 3.559083 -9.690643 
5.277985 
1 1 1 -3  20  29 o 38.66350 5.031291  353.3623       77.18784 215.4999       
112.9240 474.2625       105.7491 30.46520 8.506755 46.86181 5.375002 -16.39661 
10.06258 
1 1 1 -3  20  30 o 88.46560 2.683908  1643.613       98.68951 1870.511       
153.3766 1483.298       128.9230 93.54576 3.905314 83.38544 3.682657 10.16032 
5.367815 
1 1 1 -3  20  31 o 83.98917 2.707311  1513.019       92.97395 1505.249       
149.1262 1517.960       118.9143 83.61462 4.248080 84.36371 3.357373 
-0.7490845     5.414623 
1 1 1 -3  20  32 o 50.52236 3.294142  548.3640       69.40004 616.8828       
105.9131 496.8094       91.87093 53.22293 4.739929 47.82180 4.575865 5.401127 
6.588283 
1 1 1 -3  20  33 o 24.89666 5.160192  130.3530       63.56628 243.6382       
96.55876 43.70624       84.44646 31.89397 7.356101 17.89934 7.238653 13.99464 
10.32038 
1 1 1 -3  20  34 o 58.05881 3.126252  738.2225       76.15475 747.4396       
109.9237 729.7155       105.6042 58.37149 4.485509 57.74613 4.355917 0.6253586 
6.252504 
1 1 1 -3  20  35 o 61.49726 3.291134  841.1510       84.52585 801.9276       
124.0446 875.1500       115.4887 59.95725 4.927847 63.03728 4.363781 -3.080025 
6.582269 
1 1 1 -3  20  36 o 48.56802 4.089213  560.1904       80.36216 458.7497       
122.4629 636.9094       106.5002 43.87244 6.648657 53.26360 4.762564 -9.391151 
8.178426 
1 1 1 -3  20  37 o 16.11009 5.118627  -3.323941      72.55858 -36.63881      
113.0159 20.03753       94.63911 15.70622 7.261915 16.51395 7.215673 
-0.8077326     10.23725 
1 1 1 -3  21  1  o 108.3450 2.119639  2470.114       96.37305 2570.705       
137.0642 2371.758       135.5329 110.5303 2.953681 106.1596 3.040930 4.370705 
4.239279 
1 1 1 -3  21  2  o 96.03381 2.809494  1889.639       99.53847 2059.288       
198.6111 1832.734       115.0272 98.73831 4.791141 93.32930 2.935645 5.409012 
5.618989 
1 1 1 -3  21  3  o 32.32153 4.179954  223.2169       55.30510 264.8180       
82.09959 188.6557       74.83120 35.37479 5.528002 29.26826 6.271305 6.106533 
8.359908 
1 1 1 -3  21  4  o 138.3483 5.184705  4045.821       301.1458 0.000000       
0.000000 4045.821       301.1458 ?        ?        138.3483 5.184705 ? ? 
1 1 1 -3  21  5  f 141.8005 4.727637  4287.940       279.9560 3832.977       
399.4840 4727.013       392.4451 134.2776 7.086254 149.3234 6.259969 -15.04572 
9.455274 
1 1 1 -3  21  6  o 132.1335 2.968165  3707.332       160.4747 3559.485       
254.7451 3804.600       206.6264 129.8648 4.672349 134.4021 3.661854 -4.537247 
5.936330 
1 1 1 -3  21  7  o 103.9550 2.882127  2288.551       124.7169 2186.342       
186.6108 2371.055       167.6600 101.8162 4.365568 106.0937 3.764098 -4.277420 
5.764254 
1 1 1 -3  21  8  o 90.97574 2.689213  1725.082       101.2232 1848.954       
159.3861 1641.348       131.0427 93.66189 4.053299 88.28958 3.535285 5.372307 
5.378427 
1 1 1 -3  21  9  o 35.60933 5.482006  268.1573       81.95628 0.000000       
0.000000 268.1573       81.95628 ?        ?        35.60933 5.482006 ? ? 
1 1 1 -3  21  10 o 104.1898 2.754786  2204.042       113.9401 2541.159       
202.2368 2047.273       137.9112 109.7606 4.388687 98.61906 3.330887 11.14158 
5.509572 
1 1 1 -3  21  11 o 56.29520 2.782909  665.7864       65.65309 633.8090       
89.59516 702.8685       96.48181 54.84246 3.891246 57.74793 3.979515 -2.905468 
5.565818 
1 1 1 -3  21  12 o 68.14397 2.306281  977.5571       65.38512 976.9731       
99.34493 978.0034       86.84715 68.11329 3.474041 68.17466 3.034266 
-0.6137085E-01 4.612562 
1 1 1 -3  21  13 o 156.1738 2.284786  4972.116       132.6270 5484.178       
262.3297 4796.288       153.7199 161.3095 3.873545 151.0381 2.424179 10.27141 
4.569573 
1 1 1 -3  21  14 o 132.2455 2.496870  3698.670       136.1058 3602.695       
212.3393 3765.603       177.3237 130.7384 3.868549 133.7526 3.157809 -3.014114 
4.993739 
1 1 1 -3  21  15 o 13.56819 4.310646  -34.71392      50.26275 -25.60476      
79.44433 -40.79384      64.90422 14.71294 6.508938 12.42344 5.653351 2.289495 
8.621291 
1 1 1 -3  21  16 o 315.4807 3.618330  20987.64       432.8479 21168.31       
811.1289 20915.71       511.8136 315.9492 6.114960 315.0122 3.869951 0.9370117 
7.236661 
1 1 1 -3  21  17 o 98.63718 2.369273  2050.811       96.95021 2033.473       
148.6883 2063.634       127.8710 98.25070 3.604643 99.02366 3.075772 
-0.7729568     4.738546 
1 1 1 -3  21  18 o 63.12342 2.583232  834.9955       67.36912 863.9998       
105.8871 815.2698       87.32283 64.02100 3.939504 62.22585 3.342551 1.795151 
5.166463 
1 1 1 -3  21  19 o 122.0139 2.225560  3151.125       113.3079 2927.454       
165.8485 3346.914       155.1674 117.9086 3.350327 126.1192 2.930492 -8.210571 
4.451121 
1 1 1 -3  21  20 o 110.0241 2.629756  2560.548       119.7723 2494.735       
184.2415 2608.719       157.6236 108.7559 4.035116 111.2923 3.373472 -2.536461 
5.259512 
1 1 1 -3  21  21 o 66.72153 2.651280  948.3340       72.84759 885.1783       
112.5284 993.8964       95.57850 64.75657 4.139038 68.68649 3.314439 -3.929916 
5.302560 
1 1 1 -3  21  22 o 59.64931 3.035734  768.7706       73.91019 667.2770       
114.2567 841.8002       96.91959 56.13196 4.848333 63.16666 3.654640 -7.034702 
6.071469 
1 1 1 -3  21  23 o 133.1770 2.429816  3719.975       126.8614 3805.253       
224.9971 3680.229       153.6063 134.1686 3.994358 132.1854 2.767875 1.983200 
4.859633 
1 1 1 -3  21  24 o 26.47631 5.121985  158.9361       60.56178 103.2328       
91.39446 202.5423       80.86370 22.78988 7.860997 30.16274 6.568383 -7.372860 
10.24397 
1 1 1 -3  21  25 o 77.03983 2.358865  1265.000       74.76693 1194.294       
116.2227 1314.922       97.65692 75.13269 3.684540 78.94696 2.946379 -3.814270 
4.717731 
1 1 1 -3  21  26 o 40.29221 3.444157  336.6040       57.39098 428.4317       
89.55838 272.6190       74.75806 44.84073 4.757235 35.74368 4.981726 9.097054 
6.888315 
1 1 1 -3  21  27 o 35.25099 4.680947  273.4237       67.77589 309.7962       
98.41327 240.6089       93.47636 37.85664 6.192024 32.64535 7.021672 5.211292 
9.361894 
1 1 1 -3  21  28 o 35.01268 5.254277  274.3989       74.80649 349.6414       
113.2150 216.0938       99.66113 39.36343 7.111111 30.66193 7.737040 8.701496 
10.50855 
1 1 1 -3  21  29 o 147.9232 3.003138  4671.492       183.5930 4763.323       
287.1089 4607.966       238.7955 148.9035 4.592643 146.9428 3.870784 1.960724 
6.006275 
1 1 1 -3  21  30 o 43.88054 4.771525  471.5538       77.82281 242.3676       
114.0146 671.4753       106.4868 31.95122 8.391391 55.80985 4.544709 -23.85863 
9.543051 
1 1 1 -3  21  31 o 42.46304 4.438221  389.8001       74.51321 565.4225       
117.4657 271.5493       96.38807 50.72613 5.515699 34.19996 6.954731 16.52617 
8.876442 
1 1 1 -3  21  32 o 43.78887 4.238372  423.6133       76.71844 455.2964       
121.0452 402.3409       99.18391 44.95081 6.414030 42.62693 5.542150 2.323879 
8.476745 
1 1 1 -3  21  33 o 50.65583 3.522022  543.7193       73.36443 692.8406       
119.0506 452.4160       93.15479 55.99171 5.064411 45.31995 4.895948 10.67176 
7.044045 
1 1 1 -3  21  34 o 18.05656 5.280822  1.718595       67.37179 116.9168       
111.2073 -65.07651      84.68040 22.95544 8.579826 13.15768 6.159131 9.797761 
10.56164 
1 1 1 -3  21  35 o 50.18403 3.861473  580.0731       78.74529 528.9374       
124.2674 614.3837       101.7909 47.76590 6.196701 52.60217 4.609209 -4.836273 
7.722947 
1 1 1 -3  21  36 o 20.07703 5.011628  80.52554       61.58057 -21.08218      
92.39934 161.7216       82.59863 15.00881 6.804824 25.14524 7.359350 -10.13643 
10.02326 
1 1 1 -3  21  37 o 27.69463 5.458455  210.5800       67.98804 155.7637       
97.93990 261.5636       94.45402 23.81578 8.143230 31.57348 7.270951 -7.757704 
10.91691 
1 1 1 -3  22  1  o 151.2589 3.488439  4838.149       185.1152 4826.978       
389.1849 4841.415       210.4453 150.8744 6.144144 151.6433 3.305499 
-0.7689056     6.976878 
1 1 1 -3  22  2  o 163.7249 3.698900  5686.187       244.7977 5602.246       
403.4375 5735.103       307.9720 162.5998 5.909862 164.8501 4.449827 -2.250259 
7.397799 
1 1 1 -3  22  3  o 167.7718 8.342639  6020.387       587.6264 0.000000       
0.000000 6020.387       587.6264 ?        ?        167.7718 8.342639 ? ? 
1 1 1 -3  22  4  o 167.2639 7.819443  5971.453       549.1072 5971.453       
549.1072 0.000000       0.000000 167.2639 7.819443 ?        ?        ? ? 
1 1 1 -3  22  5  o 76.31703 2.585133  1217.369       81.47335 1279.785       
128.6649 1175.590       105.2667 77.91501 3.933326 74.71906 3.355682 3.195953 
5.170266 
1 1 1 -3  22  6  o 28.77030 4.712728  187.2708       56.19284 140.0562       
83.96467 225.5725       75.62530 25.39900 7.415579 32.14161 5.817937 -6.742611 
9.425455 
1 1 1 -3  22  7  o 113.7185 2.627070  2717.647       117.1735 2745.347       
207.0320 2704.592       142.1272 114.0677 4.323107 113.3693 2.986089 0.6984024 
5.254140 
1 1 1 -3  22  8  o 19.77343 5.077160  58.43332       58.17510 112.6252       
81.31373 1.609350       83.26499 23.20712 7.408399 16.33975 6.944482 6.867369 
10.15432 
1 1 1 -3  22  9  o 46.64480 3.464713  463.5661       67.25301 419.5431       
98.69998 501.7198       91.88546 44.53581 5.278722 48.75379 4.489102 -4.217979 
6.929426 
1 1 1 -3  22  10 o 124.3310 2.799004  3272.436       141.9815 3200.536       
228.3069 3317.780       181.3057 123.1476 4.415849 125.5145 3.440636 -2.366882 
5.598008 
1 1 1 -3  22  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  22  12 o 86.51375 2.676722  1560.155       96.05116 1684.539       
150.0096 1473.724       125.0463 89.38486 3.997387 83.64262 3.560936 5.742241 
5.353445 
1 1 1 -3  22  13 o 72.39386 2.395240  1105.831       71.44739 1091.767       
112.0074 1115.480       92.77257 71.98271 3.706291 72.80501 3.035145 
-0.8222961     4.790480 
1 1 1 -3  22  14 o 106.5101 2.200824  2409.242       97.05394 2240.040       
147.0467 2539.846       129.1904 103.1401 3.395854 109.8802 2.800478 -6.740097 
4.401648 
1 1 1 -3  22  15 f 58.83325 2.688260  736.2781       65.20354 689.9873       
100.4988 769.9286       85.68594 57.19712 4.185119 60.46938 3.375166 -3.272266 
5.376520 
1 1 1 -3  22  16 o 171.5626 2.773359  6177.638       185.2409 6275.897       
332.2984 6133.336       223.1258 172.4166 4.590610 170.7085 3.113261 1.708038 
5.546719 
1 1 1 -3  22  17 o 176.2506 2.594369  6585.806       186.8440 6362.535       
298.2362 6730.057       239.7205 173.6975 4.089665 178.8037 3.193374 -5.106171 
5.188737 
1 1 1 -3  22  18 o 187.5393 2.702242  7450.838       209.2395 7200.570       
323.9493 7629.986       274.0818 184.7479 4.176558 190.3307 3.429986 -5.582733 
5.404483 
1 1 1 -3  22  19 o 117.7074 2.507399  2917.786       121.6114 2928.906       
191.4365 2910.262       157.4663 117.8524 3.869077 117.5623 3.190367 0.2901077 
5.014798 
1 1 1 -3  22  20 o 100.8882 2.566126  2118.608       105.0868 2252.415       
174.6155 2042.626       131.5834 103.3018 4.026206 98.47463 3.182715 4.827148 
5.132253 
1 1 1 -3  22  21 o 44.74764 3.235842  427.9972       59.20933 403.8230       
93.64352 444.0988       76.42512 43.63972 5.111129 45.85557 3.969767 -2.215855 
6.471684 
1 1 1 -3  22  22 f 87.04656 2.345936  1578.759       82.57294 1670.305       
138.3345 1528.088       102.9190 88.93034 3.705116 85.16278 2.878503 3.767563 
4.691872 
1 1 1 -3  22  23 o 148.0563 2.440038  4606.094       141.3913 4694.149       
251.3063 4565.311       171.0284 148.9271 4.019302 147.1854 2.767735 1.741730 
4.880076 
1 1 1 -3  22  24 o 98.67798 2.417985  2022.831       95.67147 2174.207       
163.9220 1944.628       117.8202 101.3419 3.852736 96.01405 2.922847 5.327873 
4.835970 
1 1 1 -3  22  25 o 79.17258 2.525025  1282.635       81.98897 1534.308       
134.6682 1134.406       103.3509 85.10127 3.769208 73.24389 3.360965 11.85738 
5.050050 
1 1 1 -3  22  26 o 82.83239 2.927959  1443.375       99.03201 1524.241       
161.7630 1394.898       125.2461 84.55770 4.556664 81.10708 3.678124 3.450623 
5.855919 
1 1 1 -3  22  27 o 99.30914 2.743361  2091.457       113.5279 2148.719       
172.3265 2047.546       150.9033 100.4351 4.086841 98.18319 3.660856 2.251892 
5.486723 
1 1 1 -3  22  28 o 57.29498 3.517050  712.3309       83.89209 643.7869       
122.5912 772.7016       115.0502 54.56898 5.350994 60.02097 4.565679 -5.451984 
7.034100 
1 1 1 -3  22  29 o 52.28909 3.664368  586.0790       79.93684 656.7692       
121.6412 532.3474       106.0512 55.00457 5.267480 49.57360 5.095491 5.430969 
7.328736 
1 1 1 -3  22  30 o 40.87828 4.798943  388.9005       78.01508 303.9662       
115.2282 460.7857       106.0076 35.89354 7.861876 45.86303 5.505482 -9.969490 
9.597886 
1 1 1 -3  22  31 o 62.47276 3.059352  829.6377       78.58595 918.9519       
126.8969 774.0743       100.0887 65.00465 4.649731 59.94088 3.977253 5.063778 
6.118704 
1 1 1 -3  22  32 o 50.54362 3.869636  573.4966       80.75348 520.5616       
121.9160 614.8752       107.7896 48.14669 6.031362 52.94054 4.849639 -4.793846 
7.739272 
1 1 1 -3  22  33 o 24.97844 5.993394  143.9969       74.26557 188.6283       
116.9841 113.8669       96.11827 27.45831 8.898165 22.49857 8.031548 4.959736 
11.98679 
1 1 1 -3  22  34 o 74.76260 3.130171  1221.078       97.51190 1311.307       
149.0864 1153.620       128.9090 77.00730 4.611340 72.51791 4.234078 4.489388 
6.260341 
1 1 1 -3  22  35 o 50.14051 3.981504  573.9227       82.81502 593.4651       
127.9162 559.8207       108.6616 50.56433 6.025628 49.71669 5.205892 0.8476448 
7.963008 
1 1 1 -3  22  36 o 65.85320 3.473490  970.6008       94.90310 1125.915       
148.8204 864.1503       123.2055 70.04018 5.060998 61.66623 4.758870 8.373947 
6.946981 
1 1 1 -3  22  37 o 35.49436 6.249986  376.7923       94.76023 437.6436       
124.4064 292.6955       146.2505 40.69208 7.564880 30.29664 9.950974 10.39544 
12.49997 
1 1 1 -3  23  1  o 86.48963 3.112167  1594.315       106.5291 1532.649       
182.5598 1626.155       131.1787 85.12537 5.108191 87.85389 3.556505 -2.728516 
6.224334 
1 1 1 -3  23  2  o 27.80399 7.166139  170.8381       84.15634 0.000000       
0.000000 170.8381       84.15634 ?        ?        27.80399 7.166139 ? ? 
1 1 1 -3  23  3  o 101.0008 5.836705  2161.417       247.4979 2161.417       
247.4979 0.000000       0.000000 101.0008 5.836705 ?        ?        ? ? 
1 1 1 -3  23  4  o 228.6797 5.378096  11135.77       501.8951 11210.34       
811.8971 11089.65       638.5109 228.8848 8.448995 228.4746 6.656586 0.4102478 
10.75619 
1 1 1 -3  23  5  o 186.7449 3.708050  7375.793       286.4598 7369.934       
444.5641 7379.953       374.5938 186.5635 5.675822 186.9264 4.773216 
-0.3628540     7.416101 
1 1 1 -3  23  6  o 183.1554 3.788786  7098.416       289.6818 7076.599       
432.9628 7116.097       389.7760 182.8244 5.640758 183.4864 5.059787 
-0.6619568     7.577572 
1 1 1 -3  23  7  o 18.03029 5.007616  31.58468       59.21576 -36.03822      
92.94230 77.79103       76.82761 15.65539 6.971088 20.40518 7.190883 -4.749791 
10.01523 
1 1 1 -3  23  8  o 91.67375 2.598677  1775.607       99.72798 1671.937       
143.6668 1872.020       138.5459 89.06844 3.841968 94.27907 3.500252 -5.210632 
5.197353 
1 1 1 -3  23  9  o 20.88037 5.337760  75.93011       61.19213 44.95099       
89.93279 102.6373       83.50208 19.20874 7.578254 22.55200 7.519094 -3.343258 
10.67552 
1 1 1 -3  23  10 o 88.38394 2.737795  1619.165       99.40359 1774.925       
160.8170 1522.858       126.4537 91.73779 4.175463 85.03008 3.542258 6.707710 
5.475589 
1 1 1 -3  23  11 o 144.7291 3.277369  4445.424       191.9645 4334.540       
314.6528 4511.165       242.2763 143.1693 5.234831 146.2890 3.944760 -3.119629 
6.554738 
1 1 1 -3  23  12 o 183.6962 4.191237  7161.488       320.6106 7062.699       
483.3877 7239.079       428.3996 182.4482 6.310694 184.9442 5.517337 -2.495972 
8.382474 
1 1 1 -3  23  13 o 246.8773 8.738143  13059.05       905.6891 13059.05       
905.6891 0.000000       0.000000 246.8773 8.738143 ?        ?        ? ? 
1 1 1 -3  23  14 o 236.3371 4.206156  11745.01       396.4045 12137.88       
681.0463 11543.72       487.4916 238.9596 6.788491 233.7147 4.968236 5.244888 
8.412312 
1 1 1 -3  23  15 o 77.96519 2.356549  1275.306       75.37124 1301.620       
120.6993 1258.487       96.49852 78.59736 3.657782 77.33302 2.972191 1.264336 
4.713098 
1 1 1 -3  23  16 o 119.2903 2.212976  3008.391       110.1667 2859.219       
162.5510 3135.118       149.8246 116.5222 3.322784 122.0584 2.923724 -5.536201 
4.425952 
1 1 1 -3  23  17 o 161.8659 2.510780  5535.256       169.6224 5379.212       
251.9716 5664.573       229.3813 159.7375 3.757214 163.9944 3.331578 -4.256943 
5.021560 
1 1 1 -3  23  18 o 83.79321 2.343627  1493.571       80.06890 1416.380       
127.8688 1543.359       102.6948 81.95616 3.716242 85.63026 2.856552 -3.674095 
4.687253 
1 1 1 -3  23  19 o 172.3997 2.780145  6264.576       193.8210 6311.394       
320.9868 6237.711       243.1534 172.7761 4.425115 172.0232 3.366777 0.7529449 
5.560290 
1 1 1 -3  23  20 o 153.6575 2.432266  4997.917       151.4120 4912.667       
248.1125 5048.505       191.1274 152.5097 3.875005 154.8054 2.940749 -2.295700 
4.864532 
1 1 1 -3  23  21 o 73.53816 2.505419  1092.062       75.55547 1398.643       
124.0154 911.0958       95.27995 81.37751 3.629880 65.69882 3.454339 15.67869 
5.010838 
1 1 1 -3  23  22 o 127.3301 2.330028  3375.142       117.3109 3563.496       
206.1471 3284.933       142.6631 129.8068 3.782691 124.8535 2.721649 4.953331 
4.660056 
1 1 1 -3  23  23 o 85.14617 2.483473  1585.903       85.12842 1307.844       
133.8264 1774.885       110.3275 78.55827 4.057615 91.73407 2.864667 -13.17580 
4.966947 
1 1 1 -3  23  24 o 40.21055 4.053333  331.3238       64.78168 475.7933       
105.8068 244.6912       81.93435 47.17297 5.342462 33.24813 6.097223 13.92484 
8.106666 
1 1 1 -3  23  25 o 35.76720 4.849701  295.6078       66.83378 244.8213       
113.6939 322.4238       82.61513 32.71044 8.269738 38.82396 5.068515 -6.113522 
9.699403 
1 1 1 -3  23  26 o 80.10699 2.876600  1374.389       95.10019 1318.948       
147.0482 1414.250       124.6855 78.59753 4.456275 81.61646 3.638808 -3.018929 
5.753200 
1 1 1 -3  23  27 o 44.00080 4.097560  425.0226       74.34740 337.9361       
105.6068 510.5962       104.6854 39.32122 6.397143 48.68037 5.122163 -9.359146 
8.195120 
1 1 1 -3  23  28 o 16.21629 5.145801  -35.08138      72.60938 -36.30692      
107.6334 -34.05788      98.36211 16.57368 7.437448 15.85890 7.113468 0.7147770 
10.29160 
1 1 1 -3  23  29 o 38.73071 4.996536  357.5345       76.83079 216.0018       
110.7807 488.7030       106.6474 30.13579 8.429177 47.32561 5.367538 -17.18982 
9.993073 
1 1 1 -3  23  30 o 45.90503 3.943437  481.4146       72.77378 356.5193       
108.4871 583.5939       98.12643 39.90926 6.474787 51.90080 4.503322 -11.99154 
7.886874 
1 1 1 -3  23  31 o 43.99834 4.262856  428.6933       78.08333 467.1861       
120.0808 400.4933       102.7798 45.57845 6.275307 42.41824 5.771336 3.160210 
8.525713 
1 1 1 -3  23  32 o 75.31859 2.950107  1239.015       92.38750 1189.635       
138.8965 1278.198       123.7266 73.76322 4.485106 76.87395 3.833583 -3.110733 
5.900215 
1 1 1 -3  23  33 o 37.02747 5.102823  356.1562       73.50610 230.5326       
119.4679 432.6845       93.24527 29.94976 8.876774 44.10518 5.035682 -14.15541 
10.20565 
1 1 1 -3  23  34 f 28.73112 5.504874  204.9123       67.58443 239.3796       
103.9320 179.6589       88.96220 30.68066 7.990567 26.78158 7.573996 3.899088 
11.00975 
1 1 1 -3  23  35 o 69.37598 3.250471  1078.896       94.59908 1045.892       
134.8514 1110.875       132.7402 68.22374 4.708049 70.52822 4.482916 -2.304482 
6.500943 
1 1 1 -3  23  36 o 73.12328 3.332838  1222.155       100.6697 1217.697       
156.2125 1225.321       131.6539 72.45295 5.135477 73.79362 4.249483 -1.340668 
6.665676 
1 1 1 -3  24  1  o 59.98734 3.878982  759.5796       97.69138 0.000000       
0.000000 759.5796       97.69138 ?        ?        59.98734 3.878982 ? ? 
1 1 1 -3  24  2  f 71.11373 5.140604  1071.120       153.4781 1071.120       
153.4781 0.000000       0.000000 71.11373 5.140604 ?        ?        ? ? 
1 1 1 -3  24  3  o 74.49138 2.998037  1177.585       87.13529 1154.734       
154.2715 1188.290       105.5909 73.87842 4.973810 75.10433 3.348750 -1.225914 
5.996075 
1 1 1 -3  24  4  o 121.4401 2.666133  3075.039       131.0735 3236.295       
218.7436 2984.704       163.7209 123.8328 4.207468 119.0474 3.275709 4.785393 
5.332265 
1 1 1 -3  24  5  o 127.4367 2.710814  3413.477       144.7291 3578.538       
213.2734 3272.581       197.0444 130.2742 3.899416 124.5992 3.766775 5.674919 
5.421627 
1 1 1 -3  24  6  o 122.4664 2.687367  3154.520       135.7114 3198.219       
213.6438 3124.959       175.7170 123.1295 4.132848 121.8033 3.436180 1.326164 
5.374734 
1 1 1 -3  24  7  o 51.21359 3.209063  546.2410       68.13324 600.2952       
106.8660 509.2213       88.43846 53.30308 4.775386 49.12410 4.288126 4.178974 
6.418126 
1 1 1 -3  24  8  o 268.7105 4.941270  15408.01       516.4213 15253.01       
920.8878 15479.12       623.7270 267.0233 8.214453 270.3977 5.494303 -3.374420 
9.882540 
1 1 1 -3  24  9  o 118.9946 2.926604  2987.529       146.1628 2910.551       
207.1056 3063.913       206.3075 117.4586 4.199794 120.5306 4.076981 -3.072021 
5.853208 
1 1 1 -3  24  10 o 55.96758 3.236287  665.2719       75.22446 632.5341       
113.4561 690.9533       100.4875 54.70458 4.939981 57.23059 4.182200 -2.526005 
6.472573 
1 1 1 -3  24  11 o 93.21860 2.836338  1827.852       108.1035 1852.837       
174.4256 1812.270       137.7491 93.68722 4.434565 92.74997 3.537498 0.9372482 
5.672677 
1 1 1 -3  24  12 o 115.8306 2.730672  2849.656       131.0035 2686.344       
199.1201 2974.295       173.9535 112.8368 4.203252 118.8245 3.486970 -5.987724 
5.461345 
1 1 1 -3  24  13 o 148.8441 3.190325  4663.043       190.9774 4732.736       
320.8499 4624.804       237.6642 149.5770 5.109264 148.1111 3.822056 1.465805 
6.380650 
1 1 1 -3  24  14 o 193.0951 5.873259  7909.247       476.1342 0.000000       
0.000000 7909.247       476.1342 ?        ?        193.0951 5.873259 ? ? 
1 1 1 -3  24  15 o 171.2362 5.749282  6220.091       413.3215 6220.091       
413.3215 0.000000       0.000000 171.2362 5.749282 ?        ?        ? ? 
1 1 1 -3  24  16 o 175.0752 3.811353  6478.239       271.9046 6581.195       
442.7059 6415.876       344.5495 175.9856 5.991827 174.1648 4.712077 1.820801 
7.622707 
1 1 1 -3  24  17 o 117.7259 2.392502  2875.412       112.6753 3072.713       
193.8257 2774.703       138.4774 120.6581 3.826272 114.7936 2.873309 5.864555 
4.785004 
1 1 1 -3  24  18 o 18.24981 5.106062  30.47108       58.08168 75.19661       
91.90112 0.7252494      74.94730 21.06822 7.814433 15.43141 6.574352 5.636813 
10.21212 
1 1 1 -3  24  19 o 147.2079 2.612311  4593.016       156.2548 4511.235       
254.1320 4642.726       198.1322 146.0347 4.144999 148.3812 3.180514 -2.346542 
5.224623 
1 1 1 -3  24  20 o 148.4425 2.432134  4665.004       149.8617 4567.927       
228.5199 4738.257       198.5079 147.0151 3.702398 149.8698 3.154893 -2.854706 
4.864268 
1 1 1 -3  24  21 o 47.32581 3.339206  467.9608       65.72208 535.9523       
101.8301 419.4182       86.04200 50.20982 4.830684 44.44181 4.611474 5.768002 
6.678413 
1 1 1 -3  24  22 o 103.4790 2.417275  2246.496       102.5303 2340.975       
165.3092 2187.428       130.7088 105.1621 3.744196 101.7959 3.058412 3.366287 
4.834551 
1 1 1 -3  24  23 f 218.4378 3.304023  10168.43       282.7456 10141.91       
498.4233 10181.01       343.3358 217.6607 5.454304 219.2149 3.730526 -1.554138 
6.608045 
1 1 1 -3  24  24 o 117.8702 2.211865  2909.091       103.6036 3026.828       
179.6046 2850.378       126.8322 119.5071 3.579684 116.2332 2.599085 3.273956 
4.423729 
1 1 1 -3  24  25 f 26.24945 5.987778  145.8712       72.04692 175.4508       
123.4867 130.6060       88.71059 28.11443 9.143805 24.38448 7.733355 3.729950 
11.97556 
1 1 1 -3  24  26 o 31.57261 5.216053  241.8068       73.76520 100.2952       
113.5711 345.0652       97.01405 23.26207 8.675268 39.88314 5.793838 -16.62107 
10.43211 
1 1 1 -3  24  27 o 38.77204 4.732877  337.9704       74.77057 319.6344       
110.4521 353.4810       101.5864 37.34224 7.305778 40.20184 6.018814 -2.859600 
9.465755 
1 1 1 -3  24  28 o 66.96599 2.869995  966.7651       79.61575 929.5027       
121.5541 994.7611       105.3614 65.70222 4.406671 68.22977 3.678144 -2.527550 
5.739991 
1 1 1 -3  24  29 o 124.2787 2.721832  3314.999       141.7858 3324.795       
206.5594 3306.271       194.9726 124.3752 3.955782 124.1822 3.739689 0.1929779 
5.443665 
1 1 1 -3  24  30 o 96.19438 2.623213  1981.880       105.7534 1857.119       
144.6378 2125.189       155.0169 92.95520 3.706202 99.43356 3.713360 -6.478363 
5.246425 
1 1 1 -3  24  31 o 49.59650 3.894252  536.1722       80.01323 674.6808       
122.3716 432.7334       105.7509 55.19206 5.281106 44.00094 5.724572 11.19112 
7.788505 
1 1 1 -3  24  32 o 25.75027 5.756708  141.2046       74.04543 261.2107       
116.7210 60.38466       95.78700 32.16518 8.510164 19.33537 7.754730 12.82981 
11.51342 
1 1 1 -3  24  33 o 22.80920 5.922176  119.7252       74.52153 106.6826       
114.1426 129.4149       98.38339 22.33119 8.600142 23.28720 8.144093 
-0.9560070     11.84435 
1 1 1 -3  24  34 o 21.17260 5.590219  90.64298       73.94918 -5.087084      
113.5700 161.1034       97.43439 17.22480 7.686909 25.12041 8.118719 -7.895607 
11.18044 
1 1 1 -3  24  35 o 69.84553 3.061788  1103.459       88.20991 1020.764       
134.4347 1165.980       116.8921 67.04884 4.775746 72.64221 3.832809 -5.593369 
6.123575 
1 1 1 -3  24  36 o 16.60859 5.190279  18.84386       70.16282 -3.271171      
115.0255 31.94782       88.54247 16.68557 7.574985 16.53160 7.097576 0.1539707 
10.38056 
1 1 1 -3  25  1  o 86.10979 4.998121  1575.465       180.6917 1575.465       
180.6917 0.000000       0.000000 86.10979 4.998121 ?        ?        ? ? 
1 1 1 -3  25  2  o 166.0255 4.357852  5825.306       285.4005 6063.311       
501.6634 5711.409       347.0332 168.0426 7.110728 164.0084 5.039947 4.034210 
8.715705 
1 1 1 -3  25  3  o 74.30994 3.380764  1195.012       100.7424 1081.037       
164.9345 1262.838       127.2348 71.30767 5.509299 77.31219 3.919935 -6.004524 
6.761529 
1 1 1 -3  25  4  o 108.8398 3.834109  2418.648       145.1781 2692.342       
316.7801 2345.880       163.3415 112.2506 6.721869 105.4290 3.690263 6.821602 
7.668218 
1 1 1 -3  25  5  o 79.64655 2.716629  1335.697       90.45863 1374.231       
135.0307 1304.323       121.8395 80.66912 3.987001 78.62398 3.691085 2.045143 
5.433258 
1 1 1 -3  25  6  o 104.0181 2.615770  2289.363       113.7892 2188.088       
166.1306 2378.864       156.1749 101.8180 3.886389 106.2182 3.502141 -4.400200 
5.231540 
1 1 1 -3  25  7  o 111.6328 2.911210  2638.192       135.6839 2562.588       
201.1580 2701.304       183.7882 110.1231 4.350909 113.1424 3.869128 -3.019341 
5.822419 
1 1 1 -3  25  8  o 18.41571 5.059846  13.84430       66.04932 -113.7601      
102.5207 104.3905       86.36022 14.07317 6.628442 22.75824 7.646695 -8.685067 
10.11969 
1 1 1 -3  25  9  o 97.35152 3.063565  1995.497       124.1161 2051.399       
189.5667 1953.552       164.2056 98.50405 4.583836 96.19897 4.065730 2.305077 
6.127130 
1 1 1 -3  25  10 o 84.91106 2.809853  1520.668       100.0466 1540.409       
145.5001 1502.963       137.7890 85.42384 4.057003 84.39828 3.888678 1.025558 
5.619706 
1 1 1 -3  25  11 o 117.1191 2.925850  2894.176       139.6440 2905.925       
226.7359 2886.996       177.2506 117.2280 4.606913 117.0103 3.608150 0.2176743 
5.851700 
1 1 1 -3  25  12 o 232.6057 4.501765  11522.03       437.9656 11500.99       
647.6194 11539.76       594.5338 232.2650 6.641362 232.9463 6.079134 
-0.6813049     9.003531 
1 1 1 -3  25  13 o 90.81493 2.697243  1751.304       102.1841 1598.808       
148.6055 1888.076       140.7358 87.00846 4.068127 94.62140 3.542715 -7.612938 
5.394487 
1 1 1 -3  25  14 o 57.56807 3.288935  698.3997       78.97399 727.2462       
119.6460 676.1284       105.1291 58.59480 4.863624 56.54134 4.428719 2.053467 
6.577871 
1 1 1 -3  25  15 o 131.7774 3.196372  3685.303       174.0228 3617.665       
269.9687 3733.388       227.6245 130.6400 4.922189 132.9148 4.079122 -2.274811 
6.392745 
1 1 1 -3  25  16 o 95.43806 3.636921  1922.906       145.7251 0.000000       
0.000000 1922.906       145.7251 ?        ?        95.43806 3.636921 ? ? 
1 1 1 -3  25  17 o 80.99257 3.171139  1400.195       106.8041 1298.058       
158.7846 1484.588       144.3349 78.21426 4.835523 83.77087 4.103926 -5.556602 
6.342278 
1 1 1 -3  25  18 o 73.69767 2.953066  1122.847       90.21529 978.5193       
116.8817 1335.550       141.8918 67.99038 4.094683 79.40496 4.256286 -11.41458 
5.906132 
1 1 1 -3  25  19 o 104.0609 2.388474  2286.368       102.5081 2291.157       
160.8073 2283.091       133.0438 104.0932 3.679632 104.0286 3.046232 
0.6463623E-01  4.776947 
1 1 1 -3  25  20 o 72.82710 2.573040  1129.062       77.63626 1073.791       
118.1770 1171.027       102.9747 71.19897 3.953488 74.45522 3.294250 -3.256241 
5.146080 
1 1 1 -3  25  21 o 22.39367 5.366049  103.1682       60.36940 79.60305       
94.00823 119.7061       78.75356 21.32211 7.904528 23.46522 7.259227 -2.143106 
10.73210 
1 1 1 -3  25  22 o 55.84786 2.905278  649.9863       67.47677 772.0582       
103.9855 561.1974       88.68380 60.29224 4.108021 51.40348 4.109347 8.888752 
5.810556 
1 1 1 -3  25  23 o 88.26939 2.529717  1629.476       90.99152 1743.459       
149.8616 1562.919       114.5164 90.58838 3.940389 85.95039 3.173518 4.637985 
5.059435 
1 1 1 -3  25  24 o 65.11693 2.838437  833.7131       70.31230 1070.066       
137.7285 750.4003       81.77090 70.72642 4.638345 59.50743 3.273020 11.21898 
5.676875 
1 1 1 -3  25  25 o 139.6919 3.154357  4094.609       161.9473 4355.286       
322.3989 4006.635       187.2912 141.9583 5.409459 137.4254 3.246170 4.532837 
6.308713 
1 1 1 -3  25  26 o 142.7783 3.073610  4388.577       183.2709 4190.199       
269.5493 4559.126       249.9296 139.5837 4.599648 145.9729 4.078181 -6.389191 
6.147220 
1 1 1 -3  25  27 o 80.01170 2.716818  1372.505       90.40267 1349.952       
136.9027 1389.943       120.3820 79.31754 4.111156 80.70588 3.552856 -1.388344 
5.433636 
1 1 1 -3  25  28 o 54.76647 3.212975  646.6064       73.70817 709.2006       
107.7761 591.6041       101.0289 57.26904 4.482535 52.26389 4.604314 5.005150 
6.425950 
1 1 1 -3  25  29 o 72.19295 2.820213  1121.604       85.30944 1154.100       
125.3020 1093.526       116.4728 73.12103 4.081661 71.26485 3.892871 1.856178 
5.640426 
1 1 1 -3  25  30 o 31.41040 5.761565  240.8906       76.40740 252.7818       
113.0298 230.8841       103.6865 32.04419 8.327044 30.77661 7.965103 1.267586 
11.52313 
1 1 1 -3  25  31 o 32.52442 5.614748  254.7917       76.93353 342.5291       
116.0886 186.0816       102.7325 37.62295 7.615502 27.42589 8.252617 10.19705 
11.22950 
1 1 1 -3  25  32 o 43.34269 4.514325  430.3410       80.35682 448.0778       
128.2486 418.8770       103.1056 43.68342 6.992894 43.00196 5.711037 0.6814575 
9.028649 
1 1 1 -3  25  33 o 36.67548 4.832561  327.9695       70.67377 293.6522       
111.0350 351.3411       91.63219 34.06671 7.908672 39.28424 5.555852 -5.217537 
9.665123 
1 1 1 -3  25  34 o 92.38452 3.016047  1906.835       116.0656 1795.939       
171.7271 2000.094       157.4799 89.51959 4.569217 95.24944 3.938072 -5.729851 
6.032094 
1 1 1 -3  25  35 o 23.64716 5.185521  123.0843       67.92242 267.0453       
101.2430 5.256557       91.59382 31.61039 7.691219 15.68393 6.957273 15.92646 
10.37104 
1 1 1 -3  26  1  o 52.40018 4.099255  588.0699       90.04555 585.5237       
123.8887 590.9213       131.1047 52.30792 5.641380 52.49243 5.948981 
-0.1845131     8.198509 
1 1 1 -3  26  2  o 112.6920 3.475959  2709.281       160.8094 2670.203       
254.5741 2735.227       207.4347 111.8480 5.421343 113.5359 4.351805 -1.687874 
6.951918 
1 1 1 -3  26  3  o 139.8490 4.204096  4219.782       217.3165 4107.609       
419.4825 4260.932       254.0689 137.9280 7.244067 141.7699 4.268630 -3.841888 
8.408193 
1 1 1 -3  26  4  o 70.30251 3.152084  1020.209       88.06878 1134.403       
154.8180 965.5777       107.0825 73.03192 5.049284 67.57310 3.774554 5.458824 
6.304167 
1 1 1 -3  26  5  o 146.4528 3.551603  4547.998       215.5154 4624.023       
333.9561 4493.738       282.1269 147.3593 5.398002 145.5463 4.617047 1.812927 
7.103207 
1 1 1 -3  26  6  o 107.5360 2.628393  2443.242       118.6367 2452.601       
169.7909 2434.314       165.8342 107.7302 3.754032 107.3418 3.679816 0.3883743 
5.256786 
1 1 1 -3  26  7  o 141.8029 3.696298  4277.617       216.8936 4253.610       
335.7634 4294.807       284.1295 141.3092 5.659575 142.2965 4.756016 
-0.9872437     7.392596 
1 1 1 -3  26  8  o 68.05358 2.947570  977.8456       84.04097 1008.906       
123.6130 951.1494       114.6016 69.04414 4.264405 67.06302 4.070322 1.981125 
5.895140 
1 1 1 -3  26  9  o 81.18729 2.802799  1384.765       94.32771 1445.907       
146.7887 1341.757       123.1120 82.66539 4.229510 79.70920 3.678857 2.956192 
5.605599 
1 1 1 -3  26  10 o 205.0309 5.104882  9050.216       437.1227 8792.309       
646.5634 9267.339       593.2424 202.0686 7.621376 207.9931 6.793667 -5.924530 
10.20976 
1 1 1 -3  26  11 o 171.2070 3.652045  6210.192       261.8149 6013.925       
355.4277 6443.027       387.1241 168.3094 5.029953 174.1046 5.296158 -5.795197 
7.304089 
1 1 1 -3  26  12 o 122.9853 2.855250  3146.635       144.5025 3454.340       
232.5651 2953.137       184.4228 127.7332 4.336725 118.2374 3.715188 9.495773 
5.710499 
1 1 1 -3  26  13 o 151.0765 3.227206  4826.459       200.8119 4896.885       
317.2413 4779.375       259.3944 151.8562 4.975976 150.2968 4.110853 1.559418 
6.454412 
1 1 1 -3  26  14 o 116.0684 2.859513  2836.676       134.7372 2904.254       
221.8939 2797.206       169.5793 117.0453 4.515568 115.0915 3.509544 1.953804 
5.719026 
1 1 1 -3  26  15 o 79.46557 2.992916  1351.442       98.37325 1243.788       
148.9769 1434.674       130.9933 76.55924 4.634921 82.37189 3.787835 -5.812653 
5.985832 
1 1 1 -3  26  16 o 36.70769 5.037862  298.3752       73.86040 307.7344       
115.0756 291.8185       96.31831 37.07315 7.654446 36.34222 6.552074 0.7309341 
10.07572 
1 1 1 -3  26  17 o 91.61763 2.831607  1780.314       108.0907 1756.524       
162.5874 1799.157       144.6984 91.01590 4.254913 92.21937 3.737341 -1.203468 
5.663215 
1 1 1 -3  26  18 o 108.6069 6.625156  2540.401       302.0874 0.000000       
0.000000 2540.401       302.0874 ?        ?        108.6069 6.625156 ? ? 
1 1 1 -3  26  19 o 20.13417 5.755972  42.34314       75.90260 16.58123       
112.6970 63.73107       102.6852 19.34912 8.144174 20.91924 8.136173 -1.570120 
11.51194 
1 1 1 -3  26  20 o 14.40263 4.633606  -53.25305      61.57246 -29.19701      
90.87963 -73.66524      83.71425 15.56021 6.912748 13.24505 6.172126 2.315158 
9.267213 
1 1 1 -3  26  21 o 43.29105 3.576316  391.1223       63.97639 457.2392       
102.1263 348.4171       82.07717 46.19423 5.265878 40.38788 4.840524 5.806347 
7.152632 
1 1 1 -3  26  22 o 19.84333 5.209538  67.70507       59.56935 23.07693       
93.73660 97.93835       77.15205 18.06264 7.504651 21.62402 7.227542 -3.561382 
10.41908 
1 1 1 -3  26  23 o 89.98501 2.668961  1732.780       97.92703 1676.687       
157.1326 1768.401       125.2180 88.63885 4.222437 91.33116 3.265644 -2.692307 
5.337922 
1 1 1 -3  26  24 o 75.65046 3.003100  1206.984       90.80022 1280.221       
156.0681 1169.510       111.6397 77.15913 4.817791 74.14178 3.586547 3.017349 
6.006199 
1 1 1 -3  26  25 o 64.98421 3.314720  874.2073       86.34251 1028.944       
150.4137 798.1611       105.4460 68.91577 5.198640 61.05264 4.113833 7.863136 
6.629441 
1 1 1 -3  26  26 o 81.13773 2.911586  1414.919       98.56104 1396.375       
147.2592 1429.967       132.6547 80.54953 4.354521 81.72594 3.866196 -1.176407 
5.823171 
1 1 1 -3  26  27 o 25.63829 5.184876  151.4834       70.17543 5.169575       
108.9693 255.1619       91.72880 18.06741 7.817225 33.20917 6.813426 -15.14176 
10.36975 
1 1 1 -3  26  28 o 18.99474 5.505504  34.96005       73.13872 -23.36708      
108.1161 84.17412       99.31149 16.82514 7.504538 21.16435 8.057554 -4.339209 
11.01101 
1 1 1 -3  26  29 o 56.20462 3.498730  694.1487       82.39092 686.8407       
119.9567 700.6750       113.3597 55.83819 5.116986 56.57106 4.772934 
-0.7328682     6.997460 
1 1 1 -3  26  30 f 17.81049 5.212638  -9.807549      74.62146 -154.9042      
111.7279 107.0369       100.2621 13.36441 6.466988 22.25658 8.177069 -8.892174 
10.42528 
1 1 1 -3  26  31 o 29.24551 5.578760  218.4474       77.47012 97.76922       
114.7210 319.6116       105.0370 22.03337 8.593559 36.45765 7.116247 -14.42428 
11.15752 
1 1 1 -3  26  32 o 15.81061 4.957808  -7.514276      65.66913 -49.59334      
106.9244 17.97071       83.21201 15.43720 7.109247 16.18403 6.912169 
-0.7468271     9.915617 
1 1 1 -3  26  33 o 23.35890 5.560779  137.0779       66.32324 98.31165       
99.27980 168.3224       89.12952 21.05371 8.044352 25.66410 7.679677 -4.610388 
11.12156 
1 1 1 -3  26  34 o 23.03007 5.797859  138.4250       75.17042 68.86035       
116.0493 188.7115       98.66740 19.70720 8.278208 26.35294 8.119850 -6.645748 
11.59572 
1 1 1 -3  26  35 o 44.33428 6.119076  525.6027       89.92863 581.6483       
198.5768 511.1430       100.8645 41.88373 11.10867 46.78483 5.135165 -4.901100 
12.23815 
1 1 1 -3  27  1  o 40.42142 4.223827  326.3292       67.44599 432.5842       
123.2721 280.9317       80.57611 44.65271 6.575639 36.19012 5.303191 8.462585 
8.447654 
1 1 1 -3  27  2  o 58.27787 3.352439  709.6779       80.63051 804.0923       
129.0434 649.2090       103.2720 61.33784 5.011045 55.21790 4.454754 6.119946 
6.704879 
1 1 1 -3  27  3  o 101.8902 3.380452  2132.770       122.0847 2365.877       
259.0941 2066.243       138.4137 104.9399 5.880820 98.84052 3.335532 6.099411 
6.760903 
1 1 1 -3  27  4  o 39.53462 4.911875  361.6625       74.66242 286.4490       
122.8633 405.6998       94.01235 35.47517 8.373832 43.59407 5.136633 -8.118904 
9.823750 
1 1 1 -3  27  5  o 86.78569 2.708471  1586.729       98.32689 1412.627       
134.1137 1789.084       144.5866 81.64904 3.912398 91.92235 3.746520 -10.27331 
5.416943 
1 1 1 -3  27  6  o 79.12203 2.756173  1322.618       90.61757 1349.383       
139.0248 1302.847       119.4878 79.76873 4.151268 78.47533 3.626698 1.293396 
5.512347 
1 1 1 -3  27  7  o 55.26727 4.264233  671.6326       90.55656 699.9966       
109.5325 610.3721       160.9717 57.40481 4.544811 53.12972 7.216609 4.275093 
8.528466 
1 1 1 -3  27  8  o 49.24183 3.705549  534.6441       73.90172 418.3044       
111.6490 625.3612       98.59057 44.18929 6.018090 54.29436 4.325155 -10.10507 
7.411098 
1 1 1 -3  27  9  o 58.40709 3.273712  728.5691       79.40687 602.4033       
111.5825 858.0250       113.0280 53.19928 4.995871 63.61490 4.232027 -10.41562 
6.547425 
1 1 1 -3  27  10 o 86.30499 2.917849  1576.108       105.5596 1618.045       
154.4180 1539.318       144.6300 87.36454 4.210016 85.24545 4.041180 2.119095 
5.835698 
1 1 1 -3  27  11 o 163.6547 3.546488  5712.021       243.0121 5526.334       
353.3446 5878.681       334.7507 161.0286 5.226567 166.2807 4.795132 -5.252121 
7.092975 
1 1 1 -3  27  12 o 47.07195 3.772611  472.0823       74.48013 483.5174       
108.2646 461.8079       102.6233 47.60098 5.417408 46.54290 5.251864 1.058079 
7.545223 
1 1 1 -3  27  13 o 99.19779 2.917665  2092.261       120.2494 2038.604       
182.4104 2133.502       159.9176 97.99525 4.433692 100.4003 3.793869 -2.405075 
5.835329 
1 1 1 -3  27  14 o 20.49083 5.594635  61.29422       67.41767 73.69092       
105.5490 52.75127       87.62047 21.67220 8.290444 19.30947 7.514541 2.362728 
11.18927 
1 1 1 -3  27  15 o 48.97501 3.760024  504.7935       76.74980 587.9999       
116.8234 441.6095       101.8017 52.47675 5.302542 45.47326 5.332368 7.003490 
7.520047 
1 1 1 -3  27  16 o 88.43321 2.888012  1667.939       106.6139 1539.557       
155.1508 1782.794       146.7495 85.13168 4.340942 91.73476 3.810339 -6.603081 
5.776024 
1 1 1 -3  27  17 o 112.6888 3.190562  2708.124       147.8382 2670.692       
232.9936 2733.351       191.2749 111.8777 4.960456 113.5000 4.014053 -1.622368 
6.381124 
1 1 1 -3  27  18 o 134.0119 3.002326  3817.781       166.1979 3820.909       
259.2453 3815.597       216.5527 133.9063 4.611381 134.1175 3.845910 
-0.2112427     6.004653 
1 1 1 -3  27  19 o 59.18955 3.554290  754.9830       87.64941 673.8657       
126.8564 829.0816       121.2440 56.04106 5.391716 62.33804 4.632635 -6.296982 
7.108580 
1 1 1 -3  27  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  27  21 f 20.75748 5.710242  50.33337       77.26151 -34.42546      
114.7457 120.6318       104.5001 17.36725 7.739186 24.14771 8.398361 -6.780462 
11.42048 
1 1 1 -3  27  22 o 43.19859 4.011865  438.3311       65.19373 283.5181       
99.32831 555.4968       86.41109 35.37046 6.936159 51.02673 4.033600 -15.65627 
8.023729 
1 1 1 -3  27  23 o 100.4370 2.918972  2156.544       117.2524 2162.328       
198.5467 2153.448       145.2944 100.2530 4.717221 100.6209 3.439393 
-0.3678665     5.837945 
1 1 1 -3  27  24 o 62.92784 3.398843  853.4782       87.01473 861.2784       
141.8238 848.7695       110.1923 62.94224 5.366955 62.91344 4.171851 
0.2880096E-01  6.797687 
1 1 1 -3  27  25 f 33.51416 5.618315  246.2191       74.84477 339.7538       
130.2863 200.1480       91.43806 37.79303 8.428340 29.23528 7.431348 8.557741 
11.23663 
1 1 1 -3  27  26 o 74.39635 3.148314  1209.745       97.18326 1076.916       
143.2127 1323.120       132.3097 70.36716 4.847663 78.42553 4.018419 -8.058365 
6.296628 
1 1 1 -3  27  27 o 112.4903 2.921336  2717.917       137.5543 2471.630       
186.9561 3008.600       203.1086 106.9407 4.164066 118.0398 4.098461 -11.09912 
5.842673 
1 1 1 -3  27  28 o 37.63628 4.700940  324.8521       72.71331 302.7527       
99.63268 350.0370       106.3611 35.95245 6.847109 39.32010 6.443015 -3.367645 
9.401879 
1 1 1 -3  27  29 o 35.69426 5.248470  316.0773       77.51959 199.7855       
113.3845 418.1447       106.2240 28.28831 8.701993 43.10020 5.870354 -14.81189 
10.49694 
1 1 1 -3  27  30 o 18.23232 5.277572  38.74860       67.42025 -25.14596      
104.7361 83.95798       88.10055 16.19676 7.299215 20.26788 7.624469 -4.071114 
10.55514 
1 1 1 -3  27  31 o 70.77674 3.412157  1116.351       99.70257 1106.264       
154.9827 1123.474       130.2276 70.12054 5.264522 71.43295 4.342358 -1.312408 
6.824315 
1 1 1 -3  27  32 o 44.45370 4.124983  435.1282       74.97025 558.1082       
124.5790 365.3044       93.87059 48.99031 6.056976 39.91710 5.601337 9.073215 
8.249966 
1 1 1 -3  27  33 o 21.17672 5.877092  101.7938       75.56702 106.3935       
117.1153 98.51287       98.91188 21.61656 8.610055 20.73689 8.001737 0.8796635 
11.75418 
1 1 1 -3  27  34 o 31.08030 5.931154  266.4252       78.28257 310.2572       
122.3759 236.0660       101.8464 32.94584 8.712580 29.21475 8.050174 3.731085 
11.86231 
1 1 1 -3  28  1  o 36.15862 5.063104  332.0036       69.41404 196.2284       
120.6574 399.1713       84.86412 29.19051 8.976177 43.12674 4.687039 -13.93623 
10.12621 
1 1 1 -3  28  2  o 101.7133 3.052962  2177.783       125.1113 2323.631       
211.5767 2099.364       155.1420 104.0674 4.842554 99.35924 3.719136 4.708115 
6.105924 
1 1 1 -3  28  3  o 121.0576 3.239830  3197.911       153.6463 2943.607       
264.8385 3326.927       188.6366 116.9305 5.394788 125.1846 3.589187 -8.254128 
6.479661 
1 1 1 -3  28  4  o 97.68901 3.374745  2058.186       127.5540 1994.675       
228.1631 2087.059       153.8398 96.22320 5.647895 99.15482 3.695523 -2.931618 
6.749490 
1 1 1 -3  28  5  o 82.36122 3.308856  1468.605       109.8871 1370.597       
179.2131 1527.654       139.1056 79.91854 5.341255 84.80389 3.907057 -4.885353 
6.617711 
1 1 1 -3  28  6  o 73.29244 2.881328  1138.682       88.49351 1187.885       
130.0793 1096.292       120.7394 74.74688 4.145111 71.83801 4.003280 2.908875 
5.762655 
1 1 1 -3  28  7  o 75.94592 3.104575  1226.992       98.44894 1233.935       
147.2574 1221.381       132.3831 76.08657 4.609888 75.80527 4.159624 0.2813034 
6.209149 
1 1 1 -3  28  8  o 36.81601 4.778149  299.7412       71.27383 290.6142       
109.0675 306.5438       94.16044 35.88533 7.484586 37.74669 5.941699 -1.861362 
9.556297 
1 1 1 -3  28  9  o 71.14748 3.038999  1055.210       89.31799 1191.864       
142.4179 966.6146       114.6727 74.81928 4.533901 67.47569 4.047937 7.343597 
6.077998 
1 1 1 -3  28  10 o 188.4440 4.559718  7649.072       352.0622 7753.369       
563.9288 7582.458       450.6784 188.9293 7.109616 187.9587 5.711172 0.9705200 
9.119436 
1 1 1 -3  28  11 o 147.7465 3.795910  4642.990       232.7631 4868.714       
360.7428 4481.984       304.6693 150.6174 5.704842 144.8755 5.009042 5.741882 
7.591819 
1 1 1 -3  28  12 o 103.0704 3.176666  2261.040       137.0836 2264.658       
201.5097 2257.923       187.0301 103.0945 4.655665 103.0463 4.323150 
0.4820251E-01  6.353333 
1 1 1 -3  28  13 o 154.7344 3.884069  5141.385       247.8561 5086.312       
387.2576 5179.599       322.5819 153.7194 6.000567 155.7493 4.933271 -2.029892 
7.768138 
1 1 1 -3  28  14 o 72.35536 3.007858  1114.541       90.84183 1102.037       
135.5217 1124.743       122.4153 71.93367 4.487429 72.77706 4.006473 
-0.8433914     6.015717 
1 1 1 -3  28  15 o 109.1607 3.017278  2566.971       133.8655 2400.955       
214.4347 2672.986       171.3573 106.0315 4.817050 112.2899 3.634819 -6.258408 
6.034557 
1 1 1 -3  28  16 o 33.58379 5.173961  249.7576       73.30358 350.8752       
107.5565 162.0502       100.1709 40.25233 6.364536 26.91526 8.159176 13.33707 
10.34792 
1 1 1 -3  28  17 o 86.77654 2.819684  1605.083       102.2057 1561.470       
151.1595 1641.814       138.7215 85.62533 4.204886 87.92773 3.757846 -2.302406 
5.639368 
1 1 1 -3  28  18 o 48.50557 4.236206  523.2350       83.69742 427.5489       
126.5175 597.7016       111.6110 44.23656 6.812247 52.77457 5.037366 -8.538002 
8.472412 
1 1 1 -3  28  19 o 19.13448 5.545450  12.01550       75.59490 92.59665       
109.6135 -61.07177      104.3922 22.68831 8.510561 15.58064 7.111850 7.107664 
11.09090 
1 1 1 -3  28  20 o 45.97153 4.233792  456.3916       81.40367 504.7108       
121.5455 417.0888       109.6202 48.15477 6.012022 43.78830 5.962848 4.366470 
8.467584 
1 1 1 -3  28  21 o 51.75253 4.012697  582.4888       86.92016 525.9180       
121.6478 641.4967       124.2405 49.11222 5.899779 54.39283 5.440548 -5.280605 
8.025394 
1 1 1 -3  28  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -3  28  23 o 95.47076 3.396164  1970.211       135.6279 1988.041       
200.8696 1955.271       183.8696 95.75123 4.996788 95.19030 4.600852 0.5609283 
6.792328 
1 1 1 -3  28  24 o 92.79061 2.951510  1784.820       110.4178 2098.414       
189.7393 1624.235       135.7770 98.48642 4.588831 87.09480 3.713258 11.39162 
5.903021 
1 1 1 -3  28  25 o 82.24449 3.008887  1434.287       98.13230 1543.106       
171.8279 1381.615       119.5460 84.16337 4.862859 80.32561 3.544884 3.837761 
6.017774 
1 1 1 -3  28  26 o 53.88724 3.823805  648.0565       84.55593 600.1394       
131.1173 682.1725       110.6352 51.84584 6.023751 55.92863 4.711726 -4.082787 
7.647610 
1 1 1 -3  28  27 o 102.0992 3.218560  2281.813       137.0543 2214.458       
203.9243 2337.300       185.0897 100.4700 4.834523 103.7284 4.250164 -3.258354 
6.437119 
1 1 1 -3  28  28 o 45.94546 4.062749  478.7440       77.25169 436.8522       
115.7951 512.3434       103.7031 43.81491 6.294905 48.07600 5.137888 -4.261086 
8.125499 
1 1 1 -3  28  29 o 38.72796 5.183889  374.5475       80.27301 252.9619       
118.5759 477.4122       109.0658 31.44821 8.695282 46.00771 5.646496 -14.55950 
10.36778 
1 1 1 -3  28  30 o 38.55676 5.143758  370.5658       79.66965 265.3559       
116.6776 462.4674       109.0487 32.06848 8.519576 45.04505 5.766265 -12.97657 
10.28752 
1 1 1 -3  28  31 o 33.59876 5.612655  283.2492       78.46285 367.3388       
118.2634 217.1314       104.8670 38.32079 7.621432 28.87674 8.241441 9.444057 
11.22531 
1 1 1 -3  28  32 o 20.82271 5.472230  91.17173       65.96829 155.5145       
99.56281 40.81907       88.07618 24.34458 8.210422 17.30083 7.236726 7.043749 
10.94446 
1 1 1 -3  28  33 o 54.24344 4.145417  730.5835       89.07069 543.3253       
135.4754 873.1584       118.2120 46.53705 6.933980 61.94983 4.545090 -15.41278 
8.290834 
1 1 1 -3  29  1  o 50.64827 3.713733  547.3917       74.91902 591.6454       
130.0691 525.4202       91.64923 51.89351 5.970108 49.40303 4.418718 2.490475 
7.427466 
1 1 1 -3  29  2  o 37.87285 4.749576  329.4328       70.25454 297.2172       
115.2580 348.4786       88.62086 35.67552 7.904641 40.07018 5.267878 -4.394665 
9.499152 
1 1 1 -3  29  3  o 67.28316 3.205923  936.7025       86.25481 1091.108       
150.8298 861.6676       105.1445 71.06161 5.055604 63.50470 3.943682 7.556908 
6.411846 
1 1 1 -3  29  4  o 56.24786 3.673800  694.4786       83.59470 638.0483       
134.4663 730.0267       106.7248 54.11826 5.918215 58.37745 4.354532 -4.259190 
7.347600 
1 1 1 -3  29  5  o 19.40168 5.546553  45.02290       69.59985 6.059414       
116.3959 66.70802       86.83400 18.93449 8.133762 19.86886 7.543137 
-0.9343739     11.09311 
1 1 1 -3  29  6  o 22.06399 5.502758  95.95702       65.00695 57.70579       
94.94382 129.7147       89.19286 19.87214 7.803458 24.25584 7.760633 -4.383701 
11.00552 
1 1 1 -3  29  7  o 104.2106 3.020412  2315.249       132.0483 2210.816       
182.8451 2429.092       190.9044 101.7545 4.280067 106.6667 4.262932 -4.912132 
6.040824 
1 1 1 -3  29  8  o 78.07886 3.086976  1297.502       101.0134 1400.873       
147.6913 1206.645       138.4637 80.99771 4.343133 75.16000 4.388038 5.837715 
6.173952 
1 1 1 -3  29  9  o 80.61523 2.780799  1385.241       93.71240 1357.536       
138.2936 1408.764       127.4306 79.81309 4.127138 81.41737 3.728016 -1.604279 
5.561598 
1 1 1 -3  29  10 o 99.72273 2.885428  2123.995       117.4085 2092.838       
188.9611 2143.586       149.8430 98.95047 4.548576 100.4950 3.551511 -1.544533 
5.770856 
1 1 1 -3  29  11 o 35.25896 4.908550  298.4834       69.83500 162.9772       
104.5678 407.5801       93.82626 26.95507 8.370013 43.56284 5.130141 -16.60777 
9.817101 
1 1 1 -3  29  12 f 19.48800 5.614219  39.47030       72.42843 35.13698       
102.9523 43.71666       101.9141 19.31691 7.928005 19.65908 7.951385 
-0.3421650     11.22844 
1 1 1 -3  29  13 o 91.75569 2.898509  1794.150       111.5030 1789.806       
161.8657 1798.073       153.8198 91.61320 4.208408 91.89819 3.986818 
-0.2849884     5.797018 
1 1 1 -3  29  14 o 29.71075 5.470343  197.7837       69.33338 254.2471       
104.6926 153.6739       92.53376 33.30951 7.644138 26.11199 7.827244 7.197519 
10.94069 
1 1 1 -3  29  15 o 42.68427 4.394952  389.5781       78.04234 451.6570       
120.5928 344.8434       102.3697 45.53689 6.307816 39.83165 6.121591 5.705238 
8.789905 
1 1 1 -3  29  16 o 62.97424 3.261223  843.4361       84.97539 887.5267       
133.2663 813.2275       110.3093 64.25533 4.940059 61.69315 4.258887 2.562180 
6.522446 
1 1 1 -3  29  17 o 46.66837 4.163427  478.5550       79.92107 444.9183       
123.4058 502.8549       104.8893 45.05700 6.523705 48.27975 5.174725 -3.222744 
8.326855 
1 1 1 -3  29  18 o 24.49827 5.844493  122.0963       74.00581 185.5214       
107.8736 65.70382       101.7175 28.34040 8.442253 20.65613 8.084601 7.684273 
11.68899 
1 1 1 -3  29  19 o 129.2572 3.754789  3628.296       200.8056 3585.194       
310.1453 3659.406       263.4889 128.2313 5.760926 130.2831 4.817207 -2.051849 
7.509578 
1 1 1 -3  29  20 o 47.89252 4.000095  505.4316       79.12482 468.2655       
120.4083 533.6793       104.9720 46.13814 6.216091 49.64691 5.036195 -3.508774 
8.000190 
1 1 1 -3  29  21 o 70.36354 3.538198  1116.033       99.92765 876.5023       
154.4017 1288.676       131.0825 63.20854 5.818315 77.51853 4.027729 -14.30999 
7.076397 
1 1 1 -3  29  22 o 38.12048 6.174645  354.4624       97.43382 279.4124       
141.3584 422.3893       134.4830 33.74229 9.548910 42.49867 7.830918 -8.756386 
12.34929 
1 1 1 -3  29  23 o 84.22562 3.865000  1550.240       136.2206 1392.240       
185.7782 1733.970       200.3341 79.54125 5.563184 88.90999 5.366924 -9.368736 
7.730000 
1 1 1 -3  29  24 o 38.37122 11.78952  395.8749       208.2018 395.8749       
208.2018 0.000000       0.000000 38.37122 11.78952 ?        ?        ? ? 
1 1 1 -3  29  25 o 52.01073 4.585268  609.2086       98.98025 628.1601       
152.5792 595.4383       130.0605 52.44159 6.930117 51.57986 6.006013 0.8617325 
9.170535 
1 1 1 -3  29  26 o 91.69772 2.898084  1825.935       111.3738 1792.937       
161.4296 1855.909       153.8557 90.80605 4.234377 92.58938 3.957980 -1.783325 
5.796167 
1 1 1 -3  29  27 o 43.22010 4.458903  425.4575       80.80853 437.5343       
117.7848 414.7182       111.0715 43.73914 6.414163 42.70106 6.195625 1.038078 
8.917806 
1 1 1 -3  29  28 o 41.08650 4.909838  410.7092       79.72682 290.1801       
115.1942 521.5281       110.4565 34.00708 8.160254 48.16592 5.462261 -14.15884 
9.819676 
1 1 1 -3  29  29 o 54.57442 3.759982  669.0341       85.87746 698.9388       
127.5504 644.2374       116.1471 55.57999 5.466185 53.56885 5.164368 2.011143 
7.519965 
1 1 1 -3  29  30 o 28.53280 6.177122  215.8690       80.68952 219.5641       
119.3751 212.7606       109.4891 28.62616 8.953908 28.43945 8.512044 0.1867104 
12.35424 
1 1 1 -3  29  31 o 23.80342 6.070382  146.8783       77.60744 141.5341       
116.4704 151.1459       104.0790 23.55165 8.784898 24.05519 8.379960 
-0.5035362     12.14076 
1 1 1 -3  29  32 o 23.32959 5.199288  118.4356       67.39165 258.8725       
100.9258 5.435864       90.53159 31.04022 7.758041 15.61895 6.924102 15.42126 
10.39858 
1 1 1 -3  30  1  o 45.25246 5.343409  458.6126       86.87613 513.6055       
171.4203 439.6060       100.7771 45.78975 9.240705 44.71518 5.368188 1.074562 
10.68682 
1 1 1 -3  30  2  o 31.59080 6.033175  251.4694       77.34370 194.3066       
155.1473 270.3735       89.22082 28.83767 10.21301 34.34393 6.425825 -5.506268 
12.06635 
1 1 1 -3  30  3  o 31.46169 5.573834  224.8500       72.67368 295.1126       
116.5066 180.0990       92.98002 35.26747 8.043791 27.65590 7.718028 7.611570 
11.14767 
1 1 1 -3  30  4  o 46.87529 4.754775  507.4431       86.54671 447.0573       
140.4811 544.3826       109.8743 43.76041 7.938787 49.99018 5.235189 -6.229774 
9.509550 
1 1 1 -3  30  5  o 58.44960 3.983986  742.4902       90.27837 758.3492       
162.6424 735.4280       108.5335 58.45158 6.627635 58.44762 4.423011 
0.3955841E-02  7.967972 
1 1 1 -3  30  6  o 37.40928 5.263913  326.2422       77.29605 295.9716       
129.7823 342.8822       96.22382 35.22544 8.793499 39.59312 5.788738 -4.367687 
10.52783 
1 1 1 -3  30  7  o 31.88019 6.378459  235.1898       85.19111 223.2413       
103.5537 260.2099       149.8497 30.87644 7.944043 32.88394 9.981542 -2.007494 
12.75692 
1 1 1 -3  30  8  o 21.00993 5.107960  55.25912       67.74358 -81.74952      
98.55844 177.9540       93.26807 14.31248 6.680174 27.70739 7.729185 -13.39491 
10.21592 
1 1 1 -3  30  9  o 84.70863 2.928177  1541.828       103.2015 1488.417       
155.1260 1584.236       138.2289 83.26587 4.437502 86.15140 3.821708 -2.885529 
5.856354 
1 1 1 -3  30  10 o 95.02119 2.738296  1940.782       107.4258 1848.697       
165.4805 2007.857       141.2310 92.90040 4.242778 97.14200 3.462932 -4.241600 
5.476593 
1 1 1 -3  30  11 o 19.61381 5.394605  59.95868       63.93739 30.66321       
102.7684 78.45905       81.66759 18.94574 7.863870 20.28189 7.386922 -1.336151 
10.78921 
1 1 1 -3  30  12 o 76.88776 2.889326  1270.975       92.68354 1187.802       
135.9662 1343.169       126.6751 74.43034 4.351128 79.34518 3.802698 -4.914841 
5.778653 
1 1 1 -3  30  13 o 159.7671 3.273604  5483.478       217.1842 5528.784       
332.9701 5449.930       286.5255 160.0635 4.954889 159.4707 4.279603 0.5928192 
6.547207 
1 1 1 -3  30  14 o 20.35814 5.456680  18.75657       76.10972 159.5667       
109.9531 -110.7763      105.4583 26.56371 8.628210 14.15257 6.682470 12.41114 
10.91336 
1 1 1 -3  30  15 o 118.7648 3.297302  3040.126       162.6508 3019.665       
248.1762 3055.532       215.3472 118.1885 5.001566 119.3410 4.298040 -1.152527 
6.594605 
1 1 1 -3  30  16 o 86.95113 3.138992  1605.917       111.9589 1716.584       
180.9466 1537.268       142.5146 89.15797 4.834051 84.74427 4.005624 4.413704 
6.277983 
1 1 1 -3  30  17 o 40.16230 4.849884  369.2066       77.75454 334.8043       
120.4532 393.7822       101.8068 37.88994 7.837738 42.43465 5.714486 -4.544716 
9.699767 
1 1 1 -3  30  18 o 125.5703 3.471048  3412.596       182.8083 3208.054       
254.2601 3631.480       263.0226 121.6229 4.979479 129.5178 4.837096 -7.894897 
6.942097 
1 1 1 -3  30  19 o 33.66647 5.436041  272.3243       78.79439 164.6422       
115.7336 365.3634       107.5772 26.73833 8.852105 40.59460 6.312086 -13.85627 
10.87208 
1 1 1 -3  30  20 o 59.95741 3.640635  779.4775       91.28036 841.4274       
136.7322 729.6711       122.6007 62.04773 5.248873 57.86708 5.046409 4.180653 
7.281271 
1 1 1 -3  30  21 o 89.03152 3.378447  1720.816       126.1147 1792.036       
184.2292 1658.009       173.0056 90.72278 4.836857 87.34026 4.718097 3.382515 
6.756894 
1 1 1 -3  30  22 o 19.44940 5.981205  7.691203       91.71541 -17.19233      
135.8663 28.52265       124.3127 19.00041 8.445442 19.89839 8.471938 
-0.8979797     11.96241 
1 1 1 -3  30  23 o 44.10718 5.688808  463.6943       102.0364 443.3495       
152.8130 480.0630       137.0698 42.46001 8.861908 45.75435 7.135597 -3.294342 
11.37762 
1 1 1 -3  30  24 o 23.47515 6.592824  96.13509       97.70928 147.0145       
145.4395 54.27999       131.9124 25.78911 9.770561 21.16118 8.854234 4.627934 
13.18565 
1 1 1 -3  30  25 o 49.98432 5.202245  583.1432       108.7055 653.6789       
156.6849 517.6838       150.9415 53.11937 7.025792 46.84927 7.674089 6.270100 
10.40449 
1 1 1 -3  30  26 o 44.14325 7.238099  457.6008       134.1429 457.6008       
134.1429 0.000000       0.000000 44.14325 7.238099 ?        ?        ? ? 
1 1 1 -3  30  27 o 27.38214 6.706073  174.4971       98.80609 82.50622       
131.6085 293.3189       149.5753 21.88791 8.970181 32.87636 9.971033 -10.98845 
13.41215 
1 1 1 -3  30  28 o 18.27571 5.530614  24.60049       75.91564 61.31306       
112.5203 -6.073960      102.8518 19.96106 8.253396 16.59036 7.364253 3.370703 
11.06123 
1 1 1 -3  30  29 o 17.88274 5.443740  13.28008       75.85331 77.10988       
112.7813 -39.44228      102.4998 20.47862 8.333367 15.28686 7.006583 5.191764 
10.88748 
1 1 1 -3  30  30 o 19.74778 5.751547  62.79270       78.34585 117.6212       
115.3951 15.90724       106.7095 22.19753 8.626729 17.29803 7.609253 4.899502 
11.50309 
1 1 1 -3  30  31 o 32.72824 5.438625  298.0168       79.57968 170.0356       
117.2080 407.4724       108.3935 24.55265 8.858581 40.90383 6.311903 -16.35118 
10.87725 
1 1 1 -3  30  32 o 48.60088 3.732283  545.6109       73.78931 595.2065       
121.8939 516.9236       92.70546 49.73431 5.837772 47.46745 4.651900 2.266853 
7.464567 
1 1 1 -3  31  1  o 63.43935 4.443596  917.6183       108.2619 894.2548       
194.7243 928.0714       130.2478 61.86108 7.497626 65.01762 4.771561 -3.156540 
8.887193 
1 1 1 -3  31  2  o 31.97409 6.320699  251.6024       83.58086 261.3518       
152.7212 247.4337       99.86347 31.86323 10.15105 32.08496 7.533994 
-0.2217312     12.64140 
1 1 1 -3  31  3  o 19.59035 5.830969  38.28040       79.29634 16.20402       
135.7217 49.72195       97.70750 20.04693 8.699625 19.13378 7.766423 0.9131546 
11.66194 
1 1 1 -3  31  4  f 46.69455 5.184319  510.6768       90.48709 487.4467       
160.7701 521.4478       109.4731 44.73032 8.876482 48.65879 5.358797 -3.928474 
10.36864 
1 1 1 -3  31  5  o 51.15677 4.091524  576.3365       86.50819 597.5627       
135.5871 561.7635       112.3462 51.72855 6.243229 50.58500 5.290025 1.143547 
8.183048 
1 1 1 -3  31  6  o 22.76522 6.155818  92.88876       76.77738 122.5846       
140.1173 80.14684       91.78293 24.88624 9.542721 20.64420 7.779002 4.242043 
12.31164 
1 1 1 -3  31  7  o 70.82652 3.128000  1087.866       92.61344 1036.618       
135.2751 1133.078       127.0609 69.13886 4.660328 72.51418 4.173593 -3.375313 
6.256001 
1 1 1 -3  31  8  f 28.44659 5.527759  192.7907       70.33668 132.1557       
101.9663 247.8334       97.15051 24.35297 8.308933 32.54020 7.292881 -8.187231 
11.05552 
1 1 1 -3  31  9  o 106.4823 3.069960  2460.396       135.7338 2324.661       
204.1987 2567.846       181.6816 103.5950 4.694997 109.3696 3.956719 -5.774643 
6.139920 
1 1 1 -3  31  10 o 31.47291 5.184368  221.3009       73.93221 370.4728       
109.5094 96.36574       100.2190 40.84010 6.386835 22.10572 8.168171 18.73438 
10.36874 
1 1 1 -3  31  11 o 30.53490 5.210702  216.2712       66.21715 256.9718       
97.85935 181.8973       89.93242 33.22009 7.218500 27.84970 7.516577 5.370386 
10.42140 
1 1 1 -3  31  12 o 83.92928 2.867466  1512.943       100.5592 1513.624       
149.6116 1512.381       135.8121 83.85297 4.249795 84.00558 3.850803 
-0.1526108     5.734932 
1 1 1 -3  31  13 o 123.3488 3.288126  3295.754       169.9667 3216.639       
246.0217 3367.995       235.0894 121.8015 4.811071 124.8960 4.483379 -3.094521 
6.576252 
1 1 1 -3  31  14 o 82.05743 3.109384  1458.212       106.5669 1386.224       
156.3422 1520.684       145.6426 80.02557 4.653381 84.08931 4.125424 -4.063744 
6.218769 
1 1 1 -3  31  15 o 99.22449 3.163198  2103.260       131.0190 1866.243       
174.9763 2405.744       197.6697 92.92658 4.484979 105.5224 4.461866 -12.59583 
6.326396 
1 1 1 -3  31  16 o 46.19888 4.155398  478.8404       78.92973 383.1353       
113.8565 567.3890       109.5169 41.40422 6.549896 50.99354 5.115488 -9.589325 
8.310797 
1 1 1 -3  31  17 o 45.23558 4.693143  473.9749       84.41727 377.2534       
124.0466 557.4080       115.2106 40.09266 7.644022 50.37850 5.447138 -10.28584 
9.386287 
1 1 1 -3  31  18 o 22.84987 5.690921  110.0104       71.68526 43.70302       
110.0068 158.9479       94.50610 19.72890 8.159247 25.97084 7.935554 -6.241934 
11.38184 
1 1 1 -3  31  19 o 50.32442 3.946150  574.0295       80.89364 463.7952       
121.2092 662.5615       108.6244 45.48292 6.347582 55.16591 4.690052 -9.682987 
7.892299 
1 1 1 -3  31  20 o 26.24754 6.468935  152.6667       84.16887 195.0647       
144.3177 130.8112       103.6161 28.42892 9.871224 24.06615 8.363456 4.362764 
12.93787 
1 1 1 -3  31  21 o 28.30481 6.568833  198.7735       90.71164 162.1751       
145.1598 222.2228       116.1930 26.62697 9.832115 29.98264 8.713655 -3.355665 
13.13767 
1 1 1 -3  31  22 o 25.62509 6.475387  144.4196       88.32673 206.5391       
137.1313 100.3756       115.4691 28.75128 9.635741 22.49890 8.653037 6.252384 
12.95077 
1 1 1 -3  31  23 o 56.09331 4.735680  698.2013       109.3550 921.7755       
172.0731 546.7272       141.6352 63.54933 6.449457 48.63729 6.936220 14.91204 
9.471359 
1 1 1 -3  31  24 o 66.53969 4.265039  1009.656       117.2966 973.5038       
179.9539 1036.362       154.6677 65.01105 6.593183 68.06832 5.412224 -3.057274 
8.530078 
1 1 1 -3  31  25 o 59.13071 4.653836  812.6453       114.9917 743.1989       
164.4808 879.0403       160.8265 56.32642 6.955431 61.93499 6.185041 -5.608570 
9.307672 
1 1 1 -3  31  26 o 72.78384 3.906037  1193.401       118.9432 1129.350       
160.2999 1271.865       177.4225 70.74216 5.397292 74.82552 5.647807 -4.083359 
7.812073 
1 1 1 -3  31  27 o 15.75860 5.278476  -103.2281      93.26272 -71.00879      
127.0095 -140.9280      137.3878 16.19753 7.569042 15.31968 7.359269 0.8778505 
10.55695 
1 1 1 -3  31  28 o 23.97580 9.324490  140.7365       134.8671 140.7365       
134.8671 0.000000       0.000000 23.97580 9.324490 ?        ?        ? ? 
1 1 1 -3  31  29 o 79.48062 6.656851  1678.757       176.6438 1642.481       
199.4458 1810.752       380.4442 83.72266 5.674177 75.23859 12.04402 8.484070 
13.31370 
1 1 1 -3  31  30 o 90.99375 3.678065  1871.115       130.8517 1767.884       
157.2076 2103.930       236.0873 88.57992 4.227263 93.40759 6.020208 -4.827667 
7.356131 
1 1 1 -3  32  1  o 63.74271 4.155710  939.2397       102.3567 879.4051       
179.9649 967.8508       124.4453 61.17578 7.006955 66.30965 4.470155 -5.133877 
8.311420 
1 1 1 -3  32  2  o 22.64035 5.729349  105.0539       83.01965 -93.50776      
149.0583 194.3485       99.95880 17.35792 8.133526 27.92279 8.071400 -10.56487 
11.45870 
1 1 1 -3  32  3  o 24.87850 6.203723  148.4501       81.95924 97.17763       
136.7397 177.1981       102.3897 22.97617 9.244383 26.78082 8.275635 -3.804649 
12.40745 
1 1 1 -3  32  4  o 76.75987 3.959501  1340.191       117.4767 1252.024       
206.8843 1382.148       142.7177 73.87605 6.670293 79.64369 4.268228 -5.767647 
7.919002 
1 1 1 -3  32  5  o 17.47603 5.535691  -23.31971      84.23431 -69.82162      
132.1209 8.527246       109.3377 17.00722 7.858980 17.94485 7.798201 
-0.9376316     11.07138 
1 1 1 -3  32  6  o 58.74602 3.828654  780.4524       89.99429 707.7745       
147.2527 823.7828       113.6994 55.98665 6.264694 61.50539 4.403177 -5.518738 
7.657308 
1 1 1 -3  32  7  o 75.61630 3.878773  1278.197       115.2762 1233.646       
199.1565 1300.643       141.3644 73.87276 6.421422 77.35985 4.352569 -3.487083 
7.757545 
1 1 1 -3  32  8  o 18.73907 5.211401  20.94724       70.61834 -106.6813      
105.4909 124.5848       95.06040 14.03885 6.653737 23.43929 8.022629 -9.400440 
10.42280 
1 1 1 -3  32  9  o 18.55727 5.456917  29.72171       72.04542 -15.77512      
105.1529 69.97569       98.90879 16.82897 7.461191 20.28557 7.965075 -3.456600 
10.91383 
1 1 1 -3  32  10 o 108.7730 3.065032  2563.484       138.6991 2579.193       
210.9023 2551.513       184.1155 108.8345 4.615681 108.7114 4.034003 0.1230927 
6.130065 
1 1 1 -3  32  11 o 72.83413 3.165318  1146.411       96.26448 1207.094       
145.2261 1098.852       128.5680 74.45001 4.646232 71.21825 4.299941 3.231766 
6.330637 
1 1 1 -3  32  12 o 82.03426 3.057486  1439.289       104.2068 1588.682       
162.0096 1333.865       136.0960 85.50272 4.513172 78.56579 4.126034 6.936928 
6.114972 
1 1 1 -3  32  13 f 50.50093 3.860608  561.8575       80.33598 569.1457       
126.4182 556.9206       104.0461 50.53822 5.958140 50.46364 4.910983 
0.7457352E-01  7.721216 
1 1 1 -3  32  14 o 22.94287 5.908628  108.6745       75.69034 65.66624       
108.9863 148.7453       105.1987 20.62392 8.271676 25.26182 8.439605 -4.637897 
11.81726 
1 1 1 -3  32  15 f 21.77047 5.863141  85.48639       77.12599 134.0102       
106.5710 32.12312       111.7591 24.32646 8.479190 19.21449 8.099938 5.111973 
11.72628 
1 1 1 -3  32  16 o 37.68995 5.204431  328.3719       80.49837 413.2559       
120.1237 259.1810       108.4526 42.66386 6.706399 32.71603 7.960439 9.947834 
10.40886 
1 1 1 -3  32  17 o 24.05797 5.936792  131.4684       75.69704 83.79008       
116.4152 166.3933       99.63616 21.80309 8.615686 26.31285 8.170188 -4.509760 
11.87358 
1 1 1 -3  32  18 o 51.16193 3.910762  586.5937       82.83468 545.2505       
124.9901 618.9738       110.6146 49.26532 6.043041 53.05856 4.965671 -3.793240 
7.821524 
1 1 1 -3  32  19 o 44.16814 4.726838  436.4593       83.77433 479.7545       
143.2125 413.9378       103.2901 45.31203 7.528153 43.02427 5.718294 2.287762 
9.453675 
1 1 1 -3  32  20 o 30.54451 6.477016  223.6878       89.33988 316.7392       
143.4596 164.7390       114.1842 35.01408 9.512949 26.07494 8.792654 8.939148 
12.95403 
1 1 1 -3  32  21 o 28.55257 6.546110  190.3136       90.39630 294.0131       
144.6885 123.9215       115.7721 33.48021 9.721499 23.62494 8.769188 9.855268 
13.09222 
1 1 1 -3  32  22 o 83.46454 3.465564  1505.674       119.6354 1765.769       
190.2579 1335.576       153.8596 89.11564 5.085222 77.81343 4.709678 11.30221 
6.931129 
1 1 1 -3  32  23 o 75.94629 3.884566  1312.308       121.8473 1202.842       
184.1947 1397.484       162.4775 72.55360 6.046991 79.33898 4.877840 -6.785378 
7.769133 
1 1 1 -3  32  24 o 23.33488 6.548619  114.0756       96.74738 75.17464       
148.8055 142.5600       127.3332 22.16303 9.344887 24.50673 9.176640 -2.343697 
13.09724 
1 1 1 -3  32  25 o 56.31939 5.334063  738.4600       109.6513 1303.506       
173.4452 362.2779       141.5205 75.76846 5.452491 36.87032 9.169473 38.89814 
10.66813 
1 1 1 -3  32  26 o 32.49906 6.127590  285.1452       94.80441 432.5591       
133.0579 133.1421       135.1131 41.25524 7.966476 23.74289 9.312610 17.51235 
12.25518 
1 1 1 -3  32  27 o 24.50018 5.936747  113.0056       93.65277 303.8371       
131.3185 -84.51747      133.6010 32.97852 9.162055 16.02184 7.552257 16.95667 
11.87349 
1 1 1 -3  32  28 o 17.05203 5.569439  -32.15042      94.07780 -7.141798      
131.6870 -58.21881      134.4482 17.66507 8.042355 16.43899 7.706824 1.226084 
11.13888 
1 1 1 -3  32  29 o 30.02779 6.772416  279.2401       98.24360 327.8091       
137.5022 228.5892       140.4185 32.93909 9.448798 27.11650 9.704776 5.822586 
13.54483 
1 1 1 -3  33  1  o 17.79062 5.694544  -18.66312      85.32790 30.05589       
149.9957 -41.97229      103.7512 20.28766 8.963469 15.29357 7.026204 4.994095 
11.38909 
1 1 1 -3  33  2  o 54.49423 4.719297  728.1743       98.95014 607.0475       
167.4778 793.1316       122.6453 49.48484 8.061318 59.50363 4.909400 -10.01880 
9.438595 
1 1 1 -3  33  3  o 49.81514 4.573104  579.4811       92.73093 570.7913       
149.0109 584.9734       118.4649 48.86407 7.263557 50.76622 5.558225 -1.902149 
9.146209 
1 1 1 -3  33  4  o 49.61849 5.180363  610.1973       99.84872 472.3120       
151.8405 715.2493       132.5350 43.05354 8.704811 56.18343 5.618798 -13.12989 
10.36073 
1 1 1 -3  33  5  o 46.97588 4.913230  511.5089       94.27789 542.6167       
153.1890 492.5430       119.6135 47.57811 7.669047 46.37366 6.143701 1.204453 
9.826461 
1 1 1 -3  33  6  o 46.08710 5.340175  489.6390       99.29160 620.8474       
160.8818 408.9132       126.1921 51.14804 7.492021 41.02616 7.611801 10.12188 
10.68035 
1 1 1 -3  33  7  o 23.92358 6.359646  115.0586       88.80110 191.4337       
134.0995 55.41084       118.5082 27.55797 9.520484 20.28920 8.434501 7.268772 
12.71929 
1 1 1 -3  33  8  o 58.29214 3.497035  754.9532       84.84238 720.0690       
126.6178 783.3784       114.2965 56.84034 5.305902 59.74395 4.556800 -2.903610 
6.994071 
1 1 1 -3  33  9  o 19.93893 5.549619  69.54399       68.61094 82.56326       
95.30843 55.53934       98.84946 20.58391 7.876880 19.29396 7.819707 1.289948 
11.09924 
1 1 1 -3  33  10 o 22.28959 5.952971  103.5275       76.25030 92.40464       
113.2760 112.7431       103.1081 21.89671 8.539469 22.68247 8.296320 
-0.7857647     11.90594 
1 1 1 -3  33  11 o 48.45554 4.211999  532.6208       84.73508 615.2076       
119.5169 449.1531       120.1526 52.54617 5.417631 44.36491 6.450816 8.181267 
8.423999 
1 1 1 -3  33  12 o 30.05280 5.767596  222.0561       75.50293 269.7945       
109.3317 178.5325       104.3939 33.15710 7.945855 26.94850 8.362061 6.208609 
11.53519 
1 1 1 -3  33  13 o 64.07841 3.399554  893.9587       89.95913 955.7920       
142.3230 852.8185       116.0905 65.67973 5.161366 62.47708 4.425853 3.202652 
6.799108 
1 1 1 -3  33  14 o 16.89489 5.169008  -25.43150      75.85384 -170.9050      
120.4811 70.09875       97.63319 13.75803 6.670283 20.03175 7.898222 -6.273717 
10.33802 
1 1 1 -3  33  15 o 33.94115 5.732811  286.1545       80.80331 255.7167       
117.3564 313.5913       111.4208 31.90392 8.575561 35.97837 7.610536 -4.074457 
11.46562 
1 1 1 -3  33  16 o 65.94753 3.487700  950.7488       96.03790 1091.562       
144.1174 838.2684       128.8051 70.32806 4.881002 61.56698 4.983175 8.761082 
6.975400 
1 1 1 -3  33  17 o 51.38883 4.047457  594.8719       86.73162 588.7448       
129.7847 599.8163       116.5879 50.93477 6.069184 51.84290 5.356551 
-0.9081230     8.094914 
1 1 1 -3  33  18 o 81.49161 3.387474  1433.474       111.9179 1594.580       
187.7494 1344.672       139.3907 84.52093 5.290972 78.46228 4.231494 6.058647 
6.774949 
1 1 1 -3  33  19 o 69.34061 4.024957  1052.963       114.6041 1247.186       
187.2319 936.5971       144.9248 74.00324 6.026294 64.67797 5.337125 9.325272 
8.049914 
1 1 1 -3  33  20 o 92.81771 3.761672  1919.327       145.6107 2047.591       
221.4272 1821.600       193.2801 95.28448 5.535156 90.35094 5.095366 4.933533 
7.523344 
1 1 1 -3  33  21 f 40.50229 6.054640  398.2763       98.36834 540.5848       
159.2079 310.4044       125.1048 46.28316 8.511925 34.72142 8.612886 11.56173 
12.10928 
1 1 1 -3  33  22 o 42.28651 5.630298  445.0052       95.82704 429.9239       
149.3112 455.5681       124.9575 40.57991 9.001626 43.99311 6.765482 -3.413200 
11.26060 
1 1 1 -3  33  23 o 19.73038 5.741669  -63.03059      89.21741 201.9918       
143.5644 -229.7772      113.8765 27.44103 9.813687 12.01973 5.963101 15.42130 
11.48334 
1 1 1 -3  33  24 o 112.8451 6.089328  3074.301       242.0214 2907.252       
274.9851 3648.443       509.7967 112.0321 5.846389 113.6581 10.68360 -1.625954 
12.17866 
1 1 1 -3  33  25 o 27.50811 6.373084  203.7073       86.87666 272.9140       
127.9849 144.5693       118.3091 31.24104 9.166336 23.77518 8.856810 7.465857 
12.74617 
1 1 1 -3  33  26 o 14.87244 5.029490  -111.0881      89.88918 -140.9112      
126.8445 -81.00206      127.4023 14.21430 6.880391 15.53058 7.337798 -1.316281 
10.05898 
1 1 1 -3  33  27 o 15.83005 5.294881  -81.42548      94.05061 -135.0557      
130.9036 -24.20313      135.2165 14.44966 6.993499 17.21045 7.951984 -2.760783 
10.58976 
1 1 1 -3  33  28 o 22.28871 6.274733  114.3162       96.03681 215.3710       
133.6825 6.540845       138.0562 26.49125 9.470326 18.08617 8.234199 8.405075 
12.54947 
1 1 1 -3  34  1  o 27.41682 6.415501  221.7969       90.63322 145.2589       
132.6788 288.7575       124.1003 23.24833 9.194344 31.58531 8.949784 -8.336973 
12.83100 
1 1 1 -3  34  2  o 54.41457 4.477685  726.4371       98.84640 640.9460       
153.5067 786.9938       129.1956 50.55087 7.233024 58.27827 5.280344 -7.727402 
8.955370 
1 1 1 -3  34  3  o 39.37493 6.010761  417.6868       95.62921 377.7050       
154.9388 442.2901       121.5418 36.04403 9.927912 42.70583 6.778905 -6.661797 
12.02152 
1 1 1 -3  34  4  o 40.98754 5.870076  425.5135       95.18908 489.2293       
155.9889 387.7096       120.1542 42.75439 8.976113 39.22070 7.567072 3.533691 
11.74015 
1 1 1 -3  34  5  o 41.01296 5.653355  403.5255       94.03464 554.0140       
152.6906 311.5752       119.3541 47.42430 7.668889 34.60161 8.308418 12.82269 
11.30671 
1 1 1 -3  34  6  o 58.90790 4.482800  840.5929       102.7096 704.6572       
171.2708 916.9339       128.3498 53.74499 7.590429 64.07080 4.771514 -10.32581 
8.965599 
1 1 1 -3  34  7  o 48.78068 5.276422  558.6266       106.4444 679.0467       
169.1678 479.7014       136.9545 52.87152 7.621087 44.68984 7.299422 8.181686 
10.55284 
1 1 1 -3  34  8  o 26.74386 6.942267  177.1008       98.29642 213.9904       
168.5148 158.0758       121.0176 28.28628 10.56374 25.20145 9.010427 3.084827 
13.88453 
1 1 1 -3  34  9  o 88.73860 3.565194  1757.670       132.3210 1801.714       
196.7005 1721.264       178.8333 89.54218 5.232374 87.93501 4.844038 1.607170 
7.130388 
1 1 1 -3  34  10 o 56.86272 4.005768  751.9318       91.99176 644.7963       
144.0365 825.7375       119.5504 52.66545 6.514303 61.06001 4.663535 -8.394558 
8.011536 
1 1 1 -3  34  11 o 31.91855 5.856437  260.3633       79.58542 231.4844       
114.7668 287.1145       110.4584 29.95265 8.645517 33.88446 7.902306 -3.931812 
11.71287 
1 1 1 -3  34  12 o 33.64618 5.940176  293.8148       84.24415 243.9937       
127.3773 332.5516       112.3173 30.46488 9.193812 36.82748 7.524401 -6.362600 
11.88035 
1 1 1 -3  34  13 o 19.23267 5.555764  53.08503       69.98907 80.46266       
109.8808 34.39478       90.78861 20.88503 8.333231 17.58031 7.350057 3.304724 
11.11153 
1 1 1 -3  34  14 o 34.39329 5.536725  275.6674       76.76319 394.1737       
127.6810 208.5858       96.06322 39.89562 7.904005 28.89096 7.755514 11.00466 
11.07345 
1 1 1 -3  34  15 o 61.41354 3.834310  866.8905       96.17662 673.5767       
139.3053 1042.958       132.9460 54.15000 6.127599 68.67708 4.610887 -14.52708 
7.668621 
1 1 1 -3  34  16 o 26.52894 6.060518  177.4224       76.90024 201.5075       
113.2942 156.8457       104.7181 27.95219 8.718831 25.10570 8.420303 2.846497 
12.12104 
1 1 1 -3  34  17 o 21.38321 5.787354  79.86379       76.81477 162.1152       
112.9846 9.168441       104.7474 25.42078 8.743043 17.34563 7.585054 8.075151 
11.57471 
1 1 1 -3  34  18 o 54.48003 4.648395  684.0369       105.1786 837.4173       
158.7225 563.9563       140.4398 60.07965 6.292629 48.88040 6.843473 11.19925 
9.296790 
1 1 1 -3  34  19 o 68.30210 4.038392  1065.487       115.4983 1086.887       
170.1562 1047.203       157.2811 68.75391 5.894833 67.85030 5.521356 0.9036102 
8.076783 
1 1 1 -3  34  20 o 36.20905 6.812007  351.0623       103.6292 418.5305       
165.6894 307.7128       132.8120 38.63393 10.10167 33.78416 9.141660 4.849766 
13.62401 
1 1 1 -3  34  21 o 44.47817 5.510571  492.3820       100.1847 563.9808       
146.6215 429.6788       137.2112 48.16107 7.251411 40.79527 8.299556 7.365807 
11.02114 
1 1 1 -3  34  22 o 31.41718 6.493310  258.6243       95.46893 406.7350       
148.0371 153.1665       124.9155 38.44252 9.267164 24.39183 9.097910 14.05069 
12.98662 
1 1 1 -3  34  23 o 35.37262 6.139461  296.4151       95.17570 593.8737       
163.3674 143.5833       117.1006 47.19751 8.559676 23.54773 8.803629 23.64978 
12.27892 
1 1 1 -3  34  24 o 33.18151 4.944109  212.6787       90.24100 644.2019       
145.8144 -55.19539      114.8851 51.03709 6.805118 15.32592 7.174067 35.71117 
9.888219 
1 1 1 -3  34  25 o 18.08779 5.665995  28.27119       85.18213 29.04430       
126.8795 27.63678       114.9356 18.38292 8.167206 17.79266 7.855619 0.5902557 
11.33199 
1 1 1 -3  34  26 o 19.91182 5.804143  43.75672       86.49617 185.4942       
128.5663 -73.44657      116.9108 25.00348 9.248995 14.82015 7.014869 10.18333 
11.60829 
1 1 1 -3  35  3  o 42.58121 5.707904  496.5779       97.08151 448.4315       
151.6894 529.9806       126.3468 38.93441 9.377673 46.22801 6.509987 -7.293602 
11.41581 
1 1 1 -3  35  4  o 53.15656 4.583671  684.1381       95.69978 733.3873       
168.2615 660.5892       116.3514 53.14491 7.541265 53.16822 5.212436 
-0.2331543E-01 9.167342 
1 1 1 -3  35  5  o 28.54837 6.028887  240.8813       89.35912 98.04605       
138.2921 343.2673       117.0847 21.39161 9.013648 35.70512 8.008999 -14.31351 
12.05777 
1 1 1 -3  35  6  o 14.01353 4.835320  -167.6403      92.70073 -249.7126      
149.4874 -116.3585      118.1648 13.89858 6.879819 14.12848 6.796274 
-0.2299061     9.670639 
1 1 1 -3  35  7  o 24.19853 6.638406  154.4510       96.04034 135.2364       
155.9951 166.1797       121.8771 23.63217 9.739024 24.76490 9.023589 -1.132730 
13.27681 
1 1 1 -3  35  8  o 58.30439 4.873833  810.7256       112.3150 877.5057       
196.0467 778.0989       137.0320 58.73243 7.950649 57.87634 5.639519 0.8560944 
9.747665 
1 1 1 -3  35  9  o 40.41043 5.637444  420.3395       92.18962 437.6242       
130.4509 403.0944       130.3009 41.43516 7.785434 39.38570 8.155375 2.049458 
11.27489 
1 1 1 -3  35  10 o 44.12116 5.131445  486.1458       90.64954 415.2562       
134.2635 545.5303       122.8863 39.96862 8.280247 48.27370 6.063369 -8.305077 
10.26289 
1 1 1 -3  35  11 o 61.44728 4.191514  884.3046       106.9343 765.3596       
153.6677 995.9846       148.9009 56.87522 6.435473 66.01933 5.372138 -9.144112 
8.383029 
1 1 1 -3  35  12 o 17.83422 5.650961  -24.13280      86.24050 66.22703       
139.4556 -80.08780      109.7407 21.03840 8.965688 14.63004 6.881124 6.408358 
11.30192 
1 1 1 -3  35  13 o 33.64550 5.833441  276.3428       80.98311 403.4931       
133.4733 202.2648       101.8780 39.46198 8.316603 27.82903 8.182315 11.63294 
11.66688 
1 1 1 -3  35  14 o 34.79200 5.451816  310.3491       77.28065 282.9988       
116.0437 332.1462       103.5953 32.79683 8.392624 36.78717 6.960824 -3.990349 
10.90363 
1 1 1 -3  35  15 o 24.20415 5.851232  141.8925       79.76693 38.98040       
118.1188 228.1728       108.1537 19.02679 8.184274 29.38153 8.364529 -10.35474 
11.70246 
1 1 1 -3  35  16 o 61.51215 3.629213  848.5905       93.10740 989.9508       
140.3296 737.4224       124.4445 66.10049 5.056681 56.92381 5.207181 9.176682 
7.258427 
1 1 1 -3  35  17 o 40.96897 6.194372  457.8666       103.2833 379.2274       
162.9724 510.6511       133.5203 35.99733 10.27414 45.94061 6.922639 -9.943272 
12.38874 
1 1 1 -3  35  18 o 74.39857 4.072237  1271.563       125.4883 1397.835       
197.1879 1185.616       162.6829 77.01480 6.098558 71.78235 5.398153 5.232452 
8.144475 
1 1 1 -3  35  19 o 45.13837 5.783613  532.7629       106.3640 593.4500       
148.4925 468.8170       152.4274 48.93239 7.228182 41.34436 9.030731 7.588032 
11.56723 
1 1 1 -3  35  20 o 19.84120 6.013387  27.92501       99.58005 -125.1640      
150.6809 146.6297       132.6844 16.02327 7.699645 23.65913 9.238981 -7.635857 
12.02677 
1 1 1 -3  35  21 o 21.44408 6.455394  89.82359       104.0884 38.56261       
153.0580 133.9283       141.9728 19.90595 8.902493 22.98220 9.350619 -3.076252 
12.91079 
1 1 1 -3  35  22 o 24.42374 6.609426  170.9244       96.84150 126.2796       
144.8622 206.9973       130.2149 22.51854 9.341031 26.32894 9.353247 -3.810396 
13.21885 
1 1 1 -3  35  23 o 20.48979 6.192028  74.65719       92.30260 136.7442       
148.3879 35.47209       117.8850 22.83009 9.461140 18.14950 7.990725 4.680592 
12.38406 
1 1 1 -3  36  8  o 17.58501 5.799187  -42.28110      98.87180 52.66309       
166.8440 -93.66942      122.7464 20.43354 9.210370 14.73647 7.049211 5.697069 
11.59837 
1 1 1 -3  36  9  o 20.52696 6.424786  43.88240       104.3508 161.8827       
179.0204 -16.84377      128.4248 24.04393 10.19928 17.00998 7.815765 7.033955 
12.84957 
1 1 1 -3  36  10 o 58.02203 4.649293  846.9752       109.8458 682.9466       
161.3791 988.5770       149.9415 51.38781 7.480114 64.65626 5.523730 -13.26845 
9.298586 
1 1 1 -3  36  11 o 16.88411 5.387065  -11.05770      85.11092 -122.0397      
139.8619 54.21040       107.2565 15.26042 7.353753 18.50779 7.874276 -3.247368 
10.77413 
1 1 1 -3  36  12 f 38.11027 6.373147  417.4305       100.0765 390.8888       
151.8431 437.8140       133.0673 35.95394 9.795288 40.26659 8.156000 -4.312656 
12.74629 
1 1 1 -3  36  13 o 27.48173 6.769453  218.1625       95.67014 299.2227       
149.3841 161.7973       124.5679 30.89062 10.05701 24.07284 9.064129 6.817774 
13.53891 
1 1 1 -3  36  14 o 19.25008 6.034753  39.30986       97.11609 8.666454       
152.7300 60.10984       125.8309 18.96900 8.642723 19.53116 8.424744 
-0.5621643     12.06951 
1 1 1 -3  36  15 o 22.60671 6.180209  123.4044       81.70629 190.4964       
133.5506 83.26936       103.2933 25.48021 9.426327 19.73321 7.995268 5.746998 
12.36042 
1 1 1 -3  36  16 o 29.51237 6.756619  271.0083       96.68810 234.6370       
163.7827 290.4645       119.7892 27.10109 10.33885 31.92365 8.701480 -4.822561 
13.51324 
1 1 1 -3  36  17 o 26.94572 6.925193  222.9511       101.6290 258.6503       
148.7101 191.6673       139.2101 28.53490 10.00954 25.35654 9.573001 3.178364 
13.85039 
1 1 1 -3  36  18 o 60.29761 4.528430  875.9055       113.3526 1033.804       
177.1106 766.3545       147.5241 64.63087 6.527183 55.96436 6.278742 8.666512 
9.056860 
1 1 1 -3  36  19 o 36.90391 6.915823  410.2317       107.5487 459.1697       
168.2270 376.4044       139.8641 38.13562 10.27486 35.67221 9.259683 2.463409 
13.83165 
1 1 1 -3  36  20 o 20.43495 6.302241  62.79061       103.9785 -5.252703      
143.2382 138.5868       151.1784 17.98872 8.260758 22.88118 9.520128 -4.892458 
12.60448 
1 1 1 -2  -35 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -34 1  o 36.15274 3.967649  299.5545       56.57898 426.3839       
85.90539 202.3908       75.19041 43.54237 4.699259 28.76311 6.394209 14.77926 
7.935298 
1 1 1 -2  -34 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -33 1  o 66.24426 2.829962  939.2549       77.88319 1115.390       
120.9429 814.4627       101.8009 71.42049 4.033469 61.06802 3.970626 10.35246 
5.659925 
1 1 1 -2  -33 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -33 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 1  o 18.68350 4.930310  61.51033       55.10784 11.30050       
80.25906 106.2965       75.80043 15.83051 6.775662 21.53649 7.163953 -5.705981 
9.860620 
1 1 1 -2  -32 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -32 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 1  f 54.40088 3.163901  645.6072       71.63527 667.1839       
96.28870 618.8618       107.2031 55.55944 4.127989 53.24233 4.795912 2.317108 
6.327801 
1 1 1 -2  -31 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 1  o 64.05363 2.933583  877.5922       78.63351 829.9277       
106.1117 935.6486       117.1090 62.16390 4.065800 65.94336 4.230000 -3.779457 
5.867166 
1 1 1 -2  -30 2  f 48.18691 3.956146  499.1139       80.03506 499.1139       
80.03506 0.000000       0.000000 48.18691 3.956146 ?        ?        ? ? 
1 1 1 -2  -30 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 1  o 45.92267 3.277911  453.9370       62.89071 462.5676       
85.36417 443.6913       93.00851 46.45824 4.376570 45.38710 4.881028 1.071144 
6.555822 
1 1 1 -2  -29 2  o 14.41546 4.429231  -5.619706      49.85004 -4.608064      
69.28320 -6.705585      71.78029 14.34098 6.219460 14.48994 6.307982 
-0.1489611     8.858461 
1 1 1 -2  -29 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 1  o 81.09134 2.705177  1407.782       90.71822 1466.451       
119.9661 1329.427       138.6404 83.17400 3.435516 79.00867 4.179613 4.165329 
5.410355 
1 1 1 -2  -28 2  o 131.2438 2.966913  3662.553       162.6493 3556.703       
217.9697 3795.542       244.3208 129.1990 4.018443 133.2885 4.366050 -4.089478 
5.933825 
1 1 1 -2  -28 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 1  o 52.57801 2.474596  591.4504       53.36134 618.9944       
69.43081 551.7029       83.40515 54.13945 3.054636 51.01657 3.894060 3.122883 
4.949192 
1 1 1 -2  -27 2  o 39.72787 2.917966  347.7230       46.76787 429.6897       
63.77327 252.3508       68.79088 45.06098 3.371003 34.39475 4.763868 10.66623 
5.835932 
1 1 1 -2  -27 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 1  o 124.7559 2.514256  3288.179       131.6810 3330.943       
187.4159 3246.486       185.0565 125.5570 3.555386 123.9548 3.556003 1.602150 
5.028511 
1 1 1 -2  -26 2  o 72.20238 2.094820  1095.736       62.76725 1074.005       
82.35148 1125.860       96.95928 71.37616 2.748143 73.02861 3.162404 -1.652451 
4.189641 
1 1 1 -2  -26 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -26 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 1  o 85.33638 2.138570  1540.453       75.75906 1578.992       
100.6332 1490.039       115.0966 86.59829 2.767916 84.07448 3.260763 2.523811 
4.277141 
1 1 1 -2  -25 2  o 140.5137 2.371489  4162.939       139.0889 4143.126       
186.7115 4187.645       208.4881 140.1750 3.172647 140.8524 3.525641 
-0.6774445     4.742977 
1 1 1 -2  -25 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 1  o 72.33428 1.957573  1101.845       59.15823 1110.947       
79.99294 1090.859       87.88800 72.67287 2.621805 71.99570 2.907663 0.6771698 
3.915146 
1 1 1 -2  -24 2  o 90.25809 1.910833  1727.228       71.66663 1823.993       
96.43989 1607.888       107.1001 93.12093 2.466780 87.39526 2.918926 5.725670 
3.821666 
1 1 1 -2  -24 3  o 28.76199 3.660337  182.2305       42.08675 160.2849       
65.30128 197.8232       55.04391 26.93231 5.935030 30.59167 4.285753 -3.659361 
7.320674 
1 1 1 -2  -24 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 1  o 171.0801 1.915185  5908.749       115.5443 6616.639       
248.1211 5712.732       130.5652 177.2725 3.333831 164.8877 1.886081 12.38478 
3.830369 
1 1 1 -2  -23 2  o 96.16770 1.682119  1945.696       67.86420 1987.462       
94.82927 1901.850       97.16220 97.22976 2.323081 95.10564 2.433392 2.124115 
3.364239 
1 1 1 -2  -23 3  o 96.73841 1.888883  1975.265       75.78997 1923.969       
115.7609 2013.749       100.2673 95.61865 2.883635 97.85817 2.440526 -2.239517 
3.777766 
1 1 1 -2  -23 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 1  o 202.9195 2.260327  8464.844       176.0611 9168.217       
328.8294 8182.172       208.4581 208.5823 3.755037 197.2567 2.517144 11.32562 
4.520655 
1 1 1 -2  -22 2  o 152.7324 1.735116  4899.589       110.3615 4945.075       
167.3911 4864.614       146.7812 153.3436 2.600086 152.1213 2.298273 1.222305 
3.470232 
1 1 1 -2  -22 3  o 107.2102 1.608367  2384.917       70.42928 2548.085       
115.2973 2287.792       88.95430 110.0824 2.494722 104.3379 2.030700 5.744492 
3.216735 
1 1 1 -2  -22 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 1  o 61.85755 1.892265  819.1685       48.12310 897.7766       
63.96585 716.6548       73.04744 65.35197 2.331367 58.36313 2.981175 6.988842 
3.784531 
1 1 1 -2  -21 2  o 209.8152 1.727024  9216.249       134.8691 9341.798       
261.0012 9170.513       157.5309 210.7086 2.950403 208.9218 1.795986 1.786789 
3.454047 
1 1 1 -2  -21 3  o 14.18084 5.930540  7.572582       59.13374 7.572582       
59.13374 0.000000       0.000000 14.18084 5.930540 ?        ?        ? ? 
1 1 1 -2  -21 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -21 21 o 42.63897 4.450516  410.7748       77.80882 521.9996       
127.9552 345.5143       98.01270 46.86476 6.503282 38.41317 6.077475 8.451588 
8.901032 
1 1 1 -2  -21 22 o 26.61092 5.567544  177.1742       59.79568 231.2144       
121.3108 159.8305       68.72447 28.11819 9.056167 25.10364 6.478891 3.014547 
11.13509 
1 1 1 -2  -20 1  o 210.8438 2.521595  9297.564       183.6415 9253.024       
207.1602 9460.988       396.8183 209.8298 2.351583 211.8578 4.461370 -2.027985 
5.043190 
1 1 1 -2  -20 2  o 66.53561 1.950255  945.7609       53.19975 1011.927       
69.67725 853.2711       82.37959 69.38490 2.391922 63.68632 3.081020 5.698586 
3.900510 
1 1 1 -2  -20 3  o 94.14809 3.944586  1867.938       155.9164 1867.938       
155.9164 0.000000       0.000000 94.14809 3.944586 ?        ?        ? ? 
1 1 1 -2  -20 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -20 18 o 42.01530 5.336174  387.8114       94.12746 387.8114       
94.12746 0.000000       0.000000 42.01530 5.336174 ?        ?        ? ? 
1 1 1 -2  -20 19 o 13.16127 4.102729  -11.41203      44.54343 -102.2086      
87.17390 20.67088       51.81895 12.45367 5.953238 13.86887 5.646990 -1.415200 
8.205458 
1 1 1 -2  -20 20 o 21.28110 5.187355  89.50211       51.07935 142.7015       
99.72215 70.57984       59.47369 24.40691 8.216989 18.15529 6.333697 6.251619 
10.37471 
1 1 1 -2  -20 21 o 50.94173 3.278664  554.8495       64.37968 627.9282       
119.8687 525.2233       76.32191 52.72646 5.414999 49.15701 3.698152 3.569443 
6.557328 
1 1 1 -2  -20 22 o 66.17291 3.647805  1030.968       93.67825 880.2179       
158.7081 1111.572       116.0509 61.22811 6.174039 71.11772 3.886796 -9.889614 
7.295611 
1 1 1 -2  -20 23 o 44.53296 4.743695  476.3167       73.36451 525.4450       
149.1220 460.6284       84.26807 43.97545 8.378267 45.09047 4.451428 -1.115021 
9.487391 
1 1 1 -2  -19 1  o 106.6403 1.976003  2376.894       80.29623 2358.655       
95.12877 2422.087       149.7454 105.9609 2.138392 107.3196 3.323498 -1.358696 
3.952007 
1 1 1 -2  -19 2  o 92.19489 1.848476  1769.812       68.02476 1733.926       
83.65234 1839.869       116.8797 90.84499 2.193301 93.54478 2.976053 -2.699791 
3.696953 
1 1 1 -2  -19 3  o 248.1035 4.409791  13119.99       376.0024 12854.94       
809.4144 13192.92       424.5957 245.9278 7.839427 250.2791 4.040843 -4.351288 
8.819582 
1 1 1 -2  -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -19 17 o 38.98281 3.598950  355.3159       50.31240 278.2800       
90.40107 389.8848       60.55777 35.14006 6.361252 42.82557 3.368122 -7.685516 
7.197901 
1 1 1 -2  -19 18 o 24.94773 4.502219  134.3518       44.26402 167.2816       
81.58595 120.6153       52.69356 26.83698 7.121578 23.05849 5.510265 3.778498 
9.004437 
1 1 1 -2  -19 19 o 18.98554 4.677448  76.90636       45.46885 38.17525       
84.39771 92.74503       53.97096 17.74096 7.212375 20.23012 5.957829 -2.489164 
9.354896 
1 1 1 -2  -19 20 o 33.71114 4.259173  269.2731       53.63933 231.1907       
94.89561 287.1534       65.02347 31.06028 7.377002 36.36200 4.259351 -5.301718 
8.518347 
1 1 1 -2  -19 21 o 49.19910 3.551383  561.6517       67.94855 456.4941       
113.2818 620.7469       84.92125 44.86254 6.014471 53.53565 3.778282 -8.673111 
7.102765 
1 1 1 -2  -19 22 o 45.26130 3.941695  468.6783       66.89535 453.3873       
124.7484 474.8500       79.25385 43.94260 6.761927 46.58000 4.052677 -2.637405 
7.883390 
1 1 1 -2  -19 23 o 21.11062 5.367443  106.8496       65.73846 -0.5641453E-02 
124.6379 148.0319       77.37622 17.93530 8.027042 24.28595 7.127717 -6.350651 
10.73489 
1 1 1 -2  -19 24 o 18.08856 5.494950  46.49290       68.03461 45.68344       
135.0329 46.76829       78.76213 19.35579 8.534263 16.82133 6.924179 2.534452 
10.98990 
1 1 1 -2  -18 1  o 117.9938 2.097324  2761.595       91.60977 2594.784       
105.3977 3276.975       185.2603 111.1438 2.258743 124.8439 3.534566 -13.70009 
4.194648 
1 1 1 -2  -18 2  o 246.7473 2.441158  12777.11       193.1457 12763.32       
212.9003 12841.22       459.1348 246.5060 2.057168 246.9887 4.427761 
-0.4827423     4.882316 
1 1 1 -2  -18 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -18 15 o 59.59019 2.534328  780.8396       56.36267 684.7824       
104.3428 820.4146       66.97428 56.78739 4.376546 62.39299 2.556780 -5.605598 
5.068656 
1 1 1 -2  -18 16 o 47.92637 2.671835  502.0379       50.62405 439.5594       
84.53076 536.9782       63.21397 45.43811 4.431142 50.41463 2.986603 -4.976521 
5.343671 
1 1 1 -2  -18 17 o 41.16192 3.132827  363.5876       49.22561 357.6845       
90.49888 366.0681       58.66291 40.77335 5.286739 41.55049 3.362858 
-0.7771454     6.265655 
1 1 1 -2  -18 18 o 43.92312 3.298770  423.7464       55.35410 391.8438       
99.82139 437.9130       66.51837 42.47654 5.597518 45.36970 3.492181 -2.893158 
6.597540 
1 1 1 -2  -18 19 o 20.27449 4.915966  88.64077       49.45500 49.87808       
93.43288 103.7278       58.29015 19.14177 7.666424 21.40721 6.155715 -2.265432 
9.831932 
1 1 1 -2  -18 20 o 19.38913 5.075542  66.94251       50.67126 92.22717       
94.60931 56.77224       60.00278 21.48805 7.937008 17.29020 6.328381 4.197845 
10.15108 
1 1 1 -2  -18 21 o 40.50243 3.769189  360.0864       58.80162 370.4472       
107.1633 355.6231       70.33582 40.50136 6.302277 40.50349 4.136235 
-0.2128601E-02 7.538377 
1 1 1 -2  -18 22 o 41.23806 3.800448  365.4398       60.28093 417.8624       
112.8131 344.4904       71.31579 42.76977 6.282662 39.70636 4.278058 3.063408 
7.600896 
1 1 1 -2  -18 23 o 42.44535 3.864829  390.8672       62.03244 448.3066       
119.3212 369.5931       72.61706 43.87184 6.478178 41.01887 4.216732 2.852966 
7.729659 
1 1 1 -2  -18 24 o 19.08453 4.968605  78.26140       58.07122 -26.59418      
107.1942 121.8173       69.08742 15.95274 7.260970 22.21632 6.784281 -6.263574 
9.937210 
1 1 1 -2  -18 25 o 36.45271 5.519324  389.4951       78.17872 264.1594       
141.4329 444.6403       93.81380 29.15965 9.785704 43.74578 5.108008 -14.58614 
11.03865 
1 1 1 -2  -17 1  o 31.70332 2.691704  197.5524       33.99651 171.1910       
40.99220 255.6302       60.84464 28.54044 3.421068 34.86620 4.156605 -6.325766 
5.383407 
1 1 1 -2  -17 2  o 137.1329 2.282284  3913.822       128.6754 3772.056       
164.6175 4136.491       206.3097 133.9856 2.926434 140.2801 3.503037 -6.294434 
4.564568 
1 1 1 -2  -17 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -17 13 f 117.2397 2.616298  2875.609       125.0840 2992.147       
204.4652 2805.909       158.1256 119.0652 4.090303 115.4142 3.263354 3.651062 
5.232595 
1 1 1 -2  -17 14 o 51.60130 2.603084  575.0586       53.67090 516.8005       
88.43321 609.0304       67.52998 49.43637 4.260788 53.76622 2.991632 -4.329853 
5.206167 
1 1 1 -2  -17 15 o 172.5088 3.424656  6135.907       211.8097 6679.913       
440.5280 5972.330       241.5643 176.8355 5.933693 168.1821 3.421166 8.653442 
6.849313 
1 1 1 -2  -17 16 o 87.88631 2.811252  1634.342       99.08028 1644.328       
167.1069 1628.929       123.0406 87.97249 4.524479 87.80013 3.337909 0.1723633 
5.622504 
1 1 1 -2  -17 17 o 61.12070 2.587392  749.5667       60.34269 893.6676       
116.0821 696.2095       70.63644 64.82750 4.265080 57.41391 2.930439 7.413586 
5.174783 
1 1 1 -2  -17 18 o 61.32776 2.894550  817.2386       69.17418 756.4264       
120.6777 846.9982       84.41997 59.41677 4.837699 63.23874 3.179677 -3.821972 
5.789100 
1 1 1 -2  -17 19 o 55.68269 2.989351  661.4426       64.48734 669.4380       
116.3745 657.8994       77.46915 55.71810 4.974881 55.64727 3.315935 
0.7082748E-01  5.978701 
1 1 1 -2  -17 20 o 20.46282 4.741582  95.79203       49.23247 9.957426       
97.97291 124.7890       56.94441 17.51987 7.492020 23.40578 5.813782 -5.885914 
9.483165 
1 1 1 -2  -17 21 o 53.69034 3.721883  705.0111       72.55326 456.7037       
125.2806 830.3157       88.99642 45.07010 6.620889 62.31057 3.401981 -17.24047 
7.443765 
1 1 1 -2  -17 22 o 53.85117 3.616907  679.3824       72.02444 544.3043       
130.2881 738.8287       86.43195 49.06743 6.324593 58.63490 3.511067 -9.567467 
7.233814 
1 1 1 -2  -17 23 o 31.14413 5.104734  187.7499       62.80627 394.0047       
120.7657 111.2819       73.53284 40.46929 7.381537 21.81897 7.053096 18.65032 
10.20947 
1 1 1 -2  -17 24 o 67.84898 3.401508  1015.688       88.74937 1050.197       
162.2574 1000.956       106.0131 67.87823 5.693706 67.81975 3.723271 
0.5847931E-01  6.803016 
1 1 1 -2  -17 25 o 45.37161 5.889543  638.3523       94.93476 314.2119       
173.8113 776.1665       113.3335 31.92595 10.84815 58.81726 4.589597 -26.89131 
11.77909 
1 1 1 -2  -17 26 o 17.23901 7.263381  44.98512       89.78915 0.000000       
0.000000 44.98512       89.78915 ?        ?        17.23901 7.263381 ? ? 
1 1 1 -2  -16 1  o 337.1575 3.694431  23368.47       369.4233 23147.77       
398.9073 24698.02       979.1052 331.9584 2.862261 342.3565 6.811955 -10.39810 
7.388862 
1 1 1 -2  -16 2  o 68.00852 1.977470  918.3681       51.44442 850.2618       
60.27708 1101.025       98.71344 63.62867 2.256423 72.38838 3.248093 -8.759716 
3.954940 
1 1 1 -2  -16 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -16 12 o 263.8459 3.984430  14300.31       338.7490 14062.22       
372.6444 15433.37       812.9192 258.4125 3.434806 269.2792 7.190607 -10.86673 
7.968860 
1 1 1 -2  -16 13 o 111.6291 2.150114  2615.485       100.5832 2511.088       
137.2853 2736.463       147.7868 109.2353 2.993520 114.0230 3.087198 -4.787674 
4.300227 
1 1 1 -2  -16 14 o 161.4875 3.325478  5512.258       225.4320 5389.678       
317.4073 5637.028       320.2293 159.6683 4.734992 163.3067 4.670660 -3.638321 
6.650955 
1 1 1 -2  -16 15 f 115.8046 2.754280  2833.944       133.5562 2804.834       
195.5682 2859.385       182.8288 115.2202 4.042880 116.3889 3.741570 -1.168755 
5.508559 
1 1 1 -2  -16 16 o 97.53644 2.843814  2083.667       107.9564 1813.741       
185.5458 2221.810       132.7372 92.43325 4.781277 102.6396 3.080340 -10.20637 
5.687627 
1 1 1 -2  -16 17 o 118.2887 3.618723  3011.972       174.2767 2854.828       
279.0000 3112.520       223.1723 115.4959 5.753850 121.0814 4.390197 -5.585442 
7.237445 
1 1 1 -2  -16 18 f 41.49477 3.450992  357.9431       57.15567 398.5566       
99.55171 337.9732       69.80727 43.11079 5.500267 39.87874 4.169465 3.232052 
6.901983 
1 1 1 -2  -16 19 o 77.29315 2.791910  1278.888       89.90712 1108.488       
127.9231 1445.219       126.3865 72.09838 4.226147 82.48792 3.649484 -10.38954 
5.583821 
1 1 1 -2  -16 20 o 76.27109 3.040100  1257.310       94.78398 1194.101       
150.1710 1299.165       122.2008 74.47311 4.802945 78.06906 3.728344 -3.595947 
6.080200 
1 1 1 -2  -16 21 o 95.35725 3.306921  2000.550       126.3229 1838.049       
207.7374 2095.894       159.1231 91.77591 5.391468 98.93859 3.830793 -7.162682 
6.613842 
1 1 1 -2  -16 22 o 54.09295 3.760632  655.2852       77.29698 610.6984       
140.4256 674.6673       92.58569 52.20390 6.407145 55.98200 3.939277 -3.778099 
7.521264 
1 1 1 -2  -16 23 o 30.65063 5.411655  199.2178       64.71883 314.8474       
122.5848 154.5329       76.20485 35.79667 8.309527 25.50458 6.935113 10.29210 
10.82331 
1 1 1 -2  -16 24 o 18.48238 5.526353  40.41129       68.29363 -72.61610      
156.7578 66.88989       75.87257 18.33583 8.506324 18.62892 7.057248 
-0.2930889     11.05271 
1 1 1 -2  -16 25 o 34.24419 10.16044  327.9713       156.4619 0.000000       
0.000000 327.9713       156.4619 ?        ?        34.24419 10.16044 ? ? 
1 1 1 -2  -16 26 o 29.64754 5.789177  260.4024       78.14388 127.3976       
167.6326 297.3298       88.32816 23.71374 9.954716 35.58135 5.912863 -11.86761 
11.57835 
1 1 1 -2  -16 27 o 18.11904 5.682226  37.48185       76.10207 1.296042       
166.9512 46.97279       85.50172 19.14790 8.842909 17.09017 7.138188 2.057734 
11.36445 
1 1 1 -2  -15 1  o 50.75570 2.020842  507.0983       40.67376 445.8610       
48.84851 645.5312       73.44508 46.07644 2.525187 55.43496 3.155732 -9.358521 
4.041684 
1 1 1 -2  -15 2  o 434.4672 7.086075  39483.52       1130.386 39025.16       
1308.725 40829.93       2243.035 430.3280 7.243855 438.6063 12.18098 -8.278229 
14.17215 
1 1 1 -2  -15 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -15 11 o 118.9619 2.097142  2979.839       104.2809 2626.623       
145.7486 3350.305       149.2652 111.7203 3.107374 126.2036 2.817136 -14.48335 
4.194285 
1 1 1 -2  -15 12 o 106.7013 2.397445  2397.637       107.0642 2395.918       
157.7171 2399.105       145.8066 106.6525 3.522319 106.7501 3.253344 
-0.9759521E-01 4.794890 
1 1 1 -2  -15 13 o 54.46175 2.365622  637.4470       52.68575 557.0095       
81.24867 695.8116       69.20891 51.41379 3.764071 57.50972 2.866433 -6.095932 
4.731244 
1 1 1 -2  -15 14 o 79.55841 2.180349  1353.855       71.28161 1208.474       
109.1853 1461.846       94.10273 75.75040 3.433208 83.36642 2.688637 -7.616020 
4.360698 
1 1 1 -2  -15 15 o 213.3036 4.816586  9623.188       416.6835 9436.784       
523.1945 9946.487       689.0276 210.8761 5.909585 215.7311 7.607551 -4.855072 
9.633173 
1 1 1 -2  -15 16 o 232.6997 4.529237  11453.54       430.6761 11140.54       
546.1322 11968.32       700.3825 228.9237 5.682352 236.4756 7.054560 -7.551971 
9.058474 
1 1 1 -2  -15 17 o 115.3334 3.094930  2813.748       149.5350 2889.641       
219.9617 2748.534       203.8995 116.7492 4.487601 113.9175 4.263309 2.831680 
6.189860 
1 1 1 -2  -15 18 o 76.16960 2.878175  1232.508       89.39925 1218.423       
144.2857 1241.285       113.8962 75.72566 4.538385 76.61354 3.540991 
-0.8878784     5.756349 
1 1 1 -2  -15 19 o 118.6949 3.404679  3007.905       167.4275 2999.450       
258.2333 3014.036       219.9127 118.3910 5.195349 118.9988 4.401783 
-0.6078491     6.809357 
1 1 1 -2  -15 20 o 97.41525 2.616961  2036.655       101.4133 1952.071       
171.7143 2081.960       125.6719 95.64764 4.276152 99.18285 3.018024 -3.535210 
5.233922 
1 1 1 -2  -15 21 o 104.3034 3.092034  2373.132       131.4217 2144.538       
206.6431 2528.391       170.3010 99.70986 4.936327 108.8970 3.724967 -9.187134 
6.184068 
1 1 1 -2  -15 22 o 39.52861 4.788024  394.3348       68.25814 257.0428       
119.0882 461.5068       83.29910 32.75591 8.563763 46.30132 4.285170 -13.54541 
9.576049 
1 1 1 -2  -15 23 o 112.0541 3.159069  2723.681       148.4346 2549.807       
208.0288 2904.019       211.8601 108.3237 4.574264 115.7846 4.358324 -7.460869 
6.318139 
1 1 1 -2  -15 24 o 50.68576 7.745312  604.1329       164.8177 604.1329       
164.8177 0.000000       0.000000 50.68576 7.745312 ?        ?        ? ? 
1 1 1 -2  -15 25 f 38.64628 5.653489  367.3784       72.00977 361.7638       
164.4915 368.7096       80.09219 36.42089 10.29863 40.87167 4.667549 -4.450771 
11.30698 
1 1 1 -2  -15 26 o 33.94959 5.939214  256.6465       72.94122 396.3661       
157.1319 218.2694       82.35167 37.96479 9.795924 29.93439 6.718403 8.030409 
11.87843 
1 1 1 -2  -15 27 f 18.28378 5.727218  12.28993       72.04263 97.47121       
155.5013 -10.99025      81.29338 22.14939 9.454163 14.41817 6.467065 7.731227 
11.45444 
1 1 1 -2  -15 28 o 27.77546 5.404480  247.6274       75.40675 43.04843       
169.9904 297.7456       84.13792 20.25175 9.197876 35.29918 5.677384 -15.04743 
10.80896 
1 1 1 -2  -14 1  o 332.5613 5.675830  23262.94       792.4651 0.000000       
0.000000 23262.94       792.4651 ?        ?        332.5613 5.675830 ? ? 
1 1 1 -2  -14 2  o 287.0753 4.502347  17381.66       540.6967 17830.29       
739.7947 16867.19       792.2150 291.0967 6.053340 283.0540 6.666453 8.042664 
9.004694 
1 1 1 -2  -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -14 10 o 88.53953 1.971626  1682.186       71.28387 1477.745       
110.6205 1827.366       93.21951 83.82632 3.143230 93.25274 2.381038 -9.426422 
3.943252 
1 1 1 -2  -14 11 o 95.92514 2.008783  1957.756       77.08793 1858.224       
128.7986 2013.312       96.22621 93.97583 3.264496 97.87445 2.341775 -3.898621 
4.017567 
1 1 1 -2  -14 12 o 127.5219 2.555362  3452.018       135.4565 3192.612       
201.6221 3665.429       182.8758 123.0857 3.901679 131.9580 3.300970 -8.872253 
5.110724 
1 1 1 -2  -14 13 o 67.19962 2.111062  933.4973       58.26518 1028.858       
94.40640 874.8256       74.05085 69.90956 3.216518 64.48968 2.735023 5.419884 
4.222125 
1 1 1 -2  -14 14 o 118.0480 2.724099  2938.254       134.8150 2741.436       
189.6746 3139.204       191.6553 114.0376 3.961707 122.0585 3.740019 -8.020966 
5.448199 
1 1 1 -2  -14 15 o 208.1009 2.882531  8554.046       166.1845 8373.913       
176.7537 9926.549       487.8990 199.6055 2.109197 216.5963 5.365373 -16.99080 
5.765062 
1 1 1 -2  -14 16 o 233.9138 5.495857  11683.31       536.0569 11537.37       
715.6894 11869.81       809.0680 232.4914 7.332275 235.3363 8.188743 -2.844879 
10.99171 
1 1 1 -2  -14 17 o 64.80347 3.069000  853.9482       79.08340 993.8728       
140.0752 788.4795       95.81457 68.48781 4.871572 61.11913 3.734010 7.368679 
6.138000 
1 1 1 -2  -14 18 o 56.28510 2.984088  671.1907       67.51257 669.9840       
113.0630 671.8593       84.16457 56.17382 4.794106 56.39637 3.554670 
-0.2225533     5.968177 
1 1 1 -2  -14 19 o 61.92177 3.206319  841.7466       80.53722 640.1410       
119.4541 1009.761       109.0493 54.78015 5.193964 69.06339 3.760938 -14.28324 
6.412638 
1 1 1 -2  -14 20 o 43.12395 4.223771  437.3954       67.27827 314.9170       
111.7952 506.9383       84.24029 37.40741 7.381256 48.84050 4.108287 -11.43308 
8.447542 
1 1 1 -2  -14 21 o 26.73322 5.068951  159.5687       54.83085 166.1319       
99.91790 156.7407       65.58867 27.08291 8.136642 26.38353 6.047488 0.6993732 
10.13790 
1 1 1 -2  -14 22 o 35.48898 4.551932  230.2650       61.21749 444.6074       
119.8276 154.5642       71.21194 44.97805 6.345665 25.99990 6.527854 18.97815 
9.103864 
1 1 1 -2  -14 23 f 42.52888 5.747780  496.3273       94.80627 211.4032       
156.0347 663.0717       119.3665 29.89578 10.27530 55.16197 5.154228 -25.26619 
11.49556 
1 1 1 -2  -14 24 o 86.16965 3.860735  1598.934       139.6700 0.000000       
0.000000 1598.934       139.6700 ?        ?        86.16965 3.860735 ? ? 
1 1 1 -2  -14 25 o 52.34014 4.836186  666.6588       86.41313 565.7683       
168.4055 702.7170       100.6778 47.85726 8.703155 56.82301 4.220176 -8.965752 
9.672372 
1 1 1 -2  -14 26 o 20.78520 5.832682  81.48190       75.74097 -9.029875      
149.8391 112.5460       87.78131 19.52352 8.767910 22.04688 7.694444 -2.523363 
11.66536 
1 1 1 -2  -14 27 o 14.74780 4.993184  -83.57556      72.37330 -99.02357      
153.6457 -79.17062      82.04550 17.14010 8.085125 12.35550 5.861595 4.784599 
9.986367 
1 1 1 -2  -14 28 o 15.38098 5.003764  -34.43192      75.30735 -295.3235      
170.6853 28.62969       83.91671 14.49492 7.206062 16.26703 6.944298 -1.772105 
10.00753 
1 1 1 -2  -13 1  o 464.8989 2.578197  45322.27       501.7412 46435.86       
742.2041 44385.06       680.8925 470.1370 3.760278 459.6607 3.528273 10.47626 
5.156394 
1 1 1 -2  -13 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -13 9  o 260.9625 4.914975  14315.35       444.8013 14497.24       
954.0430 14264.83       502.7909 261.5832 8.687188 260.3418 4.600072 1.241425 
9.829949 
1 1 1 -2  -13 10 o 177.3159 3.013625  6631.724       217.7419 6559.338       
352.3577 6676.442       276.9505 176.4732 4.755828 178.1588 3.702679 -1.685593 
6.027250 
1 1 1 -2  -13 11 o 110.7186 2.350932  2587.902       107.5414 2523.367       
166.5781 2634.021       140.8194 109.5101 3.623136 111.9271 2.996735 -2.416931 
4.701865 
1 1 1 -2  -13 12 o 162.3413 3.554382  5563.198       240.9153 5556.044       
359.9635 5569.004       324.2411 162.2000 5.286018 162.4825 4.753160 
-0.2824707     7.108764 
1 1 1 -2  -13 13 o 39.18375 2.698277  333.7675       42.91121 270.9384       
65.65561 380.6198       56.69656 35.84010 4.363387 42.52741 3.175476 -6.687313 
5.396554 
1 1 1 -2  -13 14 o 88.93230 2.357463  1696.305       85.30916 1526.860       
134.7611 1809.617       110.2016 85.11939 3.771004 92.74521 2.830203 -7.625816 
4.714925 
1 1 1 -2  -13 15 o 72.96794 2.495047  1124.370       76.05409 990.9450       
107.1368 1259.907       107.9816 68.57905 3.721074 77.35684 3.324851 -8.777794 
4.990093 
1 1 1 -2  -13 16 o 223.8730 4.573132  10647.93       428.1800 10700.88       
581.5640 10585.26       632.7441 224.5973 6.167570 223.1487 6.753904 1.448624 
9.146264 
1 1 1 -2  -13 17 o 159.6888 4.087420  5396.271       269.8633 5486.395       
421.3431 5333.584       351.3972 160.6764 6.246042 158.7012 5.273988 1.975159 
8.174839 
1 1 1 -2  -13 18 o 85.99371 2.994070  1560.304       106.3892 1581.842       
166.3422 1545.396       138.3970 86.44179 4.583527 85.54564 3.853452 0.8961487 
5.988140 
1 1 1 -2  -13 19 o 85.06239 3.109066  1531.150       105.5122 1542.461       
179.9665 1525.225       130.2455 85.17280 5.032825 84.95200 3.651828 0.2208023 
6.218133 
1 1 1 -2  -13 20 o 69.32816 3.101839  993.6143       84.99232 1101.593       
150.9940 943.5354       102.8297 71.88926 5.002840 66.76704 3.668407 5.122215 
6.203678 
1 1 1 -2  -13 21 o 39.17899 4.612902  392.0807       65.92446 186.8043       
105.4883 523.6309       84.44622 28.72116 8.288222 49.63681 4.052261 -20.91565 
9.225803 
1 1 1 -2  -13 22 o 80.63556 3.181732  1376.378       93.30129 1421.995       
187.4035 1361.345       107.5822 81.13342 5.501727 80.13770 3.197604 0.9957199 
6.363464 
1 1 1 -2  -13 23 o 88.42979 5.875795  1710.049       218.1444 0.000000       
0.000000 1710.049       218.1444 ?        ?        88.42979 5.875795 ? ? 
1 1 1 -2  -13 24 o 22.14259 6.080741  87.50610       72.16576 64.13503       
155.3487 93.93739       81.49242 23.15509 9.643354 21.13009 7.409952 2.024994 
12.16148 
1 1 1 -2  -13 25 o 42.92013 5.550777  492.6313       82.93094 317.7784       
157.1855 560.0781       97.62400 35.13784 10.10998 50.70242 4.586158 -15.56458 
11.10155 
1 1 1 -2  -13 26 o 50.56985 4.529412  531.1179       85.56554 709.3691       
173.0275 473.4154       98.44555 54.90865 7.505773 46.23105 5.072048 8.677597 
9.058825 
1 1 1 -2  -13 27 o 42.46025 5.392852  378.8460       82.52309 581.8307       
172.6193 318.7113       93.95509 47.62192 8.962800 37.29859 5.999968 10.32333 
10.78570 
1 1 1 -2  -13 28 o 23.21742 6.453712  114.8340       81.04969 162.9099       
169.2434 100.5272       92.32512 25.45743 10.26723 20.97740 7.822116 4.480032 
12.90742 
1 1 1 -2  -13 29 o 56.54519 4.748625  813.0284       99.48689 728.2521       
181.1148 849.6617       119.0571 52.09042 8.281655 60.99996 4.648863 -8.909534 
9.497250 
1 1 1 -2  -12 1  o 424.5110 2.358865  37848.35       420.3825 37294.21       
591.3138 38414.64       597.7600 421.3692 3.342538 427.6530 3.329327 -6.283783 
4.717730 
1 1 1 -2  -12 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -12 8  o 389.5231 7.652302  32156.06       1246.113 32350.85       
1851.707 31994.83       1684.654 390.4258 11.29678 388.6203 10.32539 1.805542 
15.30460 
1 1 1 -2  -12 9  o 336.9132 4.956953  23960.82       682.9023 23877.28       
1096.874 24013.70       872.6646 336.2442 7.770033 337.5822 6.157279 -1.337952 
9.913905 
1 1 1 -2  -12 10 o 206.9632 2.703997  8727.279       192.1514 8529.808       
215.3583 9498.251       425.5273 201.5008 2.545692 212.4255 4.771357 -10.92467 
5.407994 
1 1 1 -2  -12 11 o 122.5026 2.599064  3074.771       129.1457 3466.040       
217.3806 2861.340       160.5508 128.3452 4.034244 116.6599 3.278021 11.68528 
5.198129 
1 1 1 -2  -12 12 o 128.8640 2.814660  3168.938       111.8969 3996.626       
294.3016 3029.067       120.9828 137.6653 5.092009 120.0626 2.400142 17.60267 
5.629319 
1 1 1 -2  -12 13 o 176.5396 3.705066  6440.097       269.1227 5923.817       
342.5015 7273.260       435.0960 167.5606 4.868684 185.5185 5.586231 -17.95792 
7.410132 
1 1 1 -2  -12 14 o 154.3508 3.287020  5032.253       212.8391 5204.657       
299.0208 4855.208       303.0188 157.0527 4.534999 151.6489 4.759391 5.403748 
6.574041 
1 1 1 -2  -12 15 o 224.8258 4.174758  10794.55       378.2816 11018.07       
475.6680 10409.93       623.9562 228.3301 4.962059 221.3215 6.715087 7.008621 
8.349516 
1 1 1 -2  -12 16 o 214.5754 4.118099  9760.832       370.6028 10245.82       
523.3428 9272.985       524.8835 219.9777 5.666680 209.1730 5.976932 10.80466 
8.236198 
1 1 1 -2  -12 17 o 73.95337 2.731161  1155.111       84.43948 1027.042       
118.7997 1285.870       120.0409 69.78680 4.054739 78.11994 3.660063 -8.333138 
5.462323 
1 1 1 -2  -12 18 o 144.1751 3.849836  4252.136       190.2603 4675.961       
422.6611 4144.429       213.0685 148.1389 6.795857 140.2114 3.619569 7.927490 
7.699672 
1 1 1 -2  -12 19 o 106.9735 3.365231  2456.998       141.2689 2332.039       
245.1506 2519.122       172.8543 104.7235 5.575833 109.2236 3.769511 -4.500023 
6.730463 
1 1 1 -2  -12 20 o 135.4528 3.811805  3900.942       205.5414 3940.195       
352.2248 3880.673       253.1061 135.6454 6.184947 135.2602 4.457115 0.3852234 
7.623611 
1 1 1 -2  -12 21 o 70.03082 3.088001  1007.848       88.27412 1187.016       
146.9220 906.6333       110.4280 74.67808 4.686133 65.38358 4.022828 9.294502 
6.176001 
1 1 1 -2  -12 22 o 86.80893 3.068553  1615.231       111.0148 1502.759       
163.5140 1711.406       151.2048 83.89631 4.642299 89.72154 4.014117 -5.825233 
6.137107 
1 1 1 -2  -12 23 o 73.25296 2.959899  1136.373       91.02928 0.000000       
0.000000 1136.373       91.02928 ?        ?        73.25296 2.959899 ? ? 
1 1 1 -2  -12 24 o 52.08783 3.688493  575.3834       68.00154 615.4404       
142.8739 563.6515       77.32108 52.77396 6.448436 51.40170 3.582956 1.372265 
7.376985 
1 1 1 -2  -12 25 o 82.95798 3.803353  1388.271       116.6434 1779.975       
238.8645 1265.616       133.6639 89.29520 6.371542 76.62075 4.155170 12.67445 
7.606706 
1 1 1 -2  -12 26 o 52.29743 4.467640  626.8593       90.22098 588.5038       
159.1522 645.0218       109.5185 50.32985 7.531961 54.26501 4.807159 -3.935169 
8.935280 
1 1 1 -2  -12 27 o 36.73456 6.334507  335.0719       88.12357 363.3458       
173.4853 325.2396       102.3050 36.42789 10.66689 37.04123 6.835308 
-0.6133347     12.66901 
1 1 1 -2  -12 28 o 44.73160 6.079482  488.0953       95.80576 547.1382       
196.5707 469.7003       109.7197 44.11554 10.70644 45.34766 5.763027 -1.232117 
12.15896 
1 1 1 -2  -12 29 o 49.19804 5.211503  514.3842       90.35432 782.6537       
202.5894 447.7716       100.9507 54.34373 8.879498 44.05236 5.458347 10.29137 
10.42301 
1 1 1 -2  -12 30 o 43.57457 5.891025  474.3547       93.39477 626.8864       
186.5333 423.3242       107.8924 45.47205 10.03968 41.67708 6.166159 3.794971 
11.78205 
1 1 1 -2  -11 1  o 83.01820 1.165618  1447.622       40.47738 1439.188       
59.77232 1454.766       55.01095 82.79423 1.719575 83.24219 1.574080 
-0.4479599     2.331237 
1 1 1 -2  -11 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 8  o 195.2491 3.086918  8003.139       252.8380 7580.457       
350.9753 8459.137       364.5445 189.8947 4.402352 200.6035 4.328457 -10.70882 
6.173836 
1 1 1 -2  -11 9  o 436.3292 5.074694  39398.02       634.7389 41162.37       
1746.012 39129.34       681.3574 441.1709 9.426737 431.4875 3.761212 9.683380 
10.14939 
1 1 1 -2  -11 10 o 283.1428 3.207486  16970.11       362.5241 17215.94       
449.6975 16513.80       612.6721 286.1815 3.742829 280.1041 5.209903 6.077393 
6.414972 
1 1 1 -2  -11 11 o 91.33090 2.044941  1802.070       72.81763 1615.267       
126.0066 1895.732       89.22456 87.65916 3.423869 95.00266 2.237019 -7.343498 
4.089882 
1 1 1 -2  -11 12 f 99.82675 2.299082  2133.933       93.43874 1920.365       
147.4104 2277.376       120.8091 95.55293 3.674559 104.1006 2.764188 -8.547661 
4.598165 
1 1 1 -2  -11 13 o 157.5556 3.416945  5223.074       220.9591 5277.872       
352.4907 5187.604       283.5939 158.1677 5.308245 156.9436 4.304021 1.224106 
6.833891 
1 1 1 -2  -11 14 o 108.3701 2.555071  2500.359       114.7314 2253.941       
171.3598 2700.575       154.4621 103.4462 3.945623 113.2941 3.247400 -9.847931 
5.110141 
1 1 1 -2  -11 15 f 183.8371 3.831778  7181.943       291.6840 6928.051       
446.8465 7370.446       385.0290 180.8696 5.884558 186.8045 4.909386 -5.934906 
7.663556 
1 1 1 -2  -11 16 o 129.9870 3.205154  3537.225       172.6957 3748.248       
269.5546 3390.303       224.9182 133.2002 4.820176 126.7739 4.225867 6.426361 
6.410308 
1 1 1 -2  -11 17 o 96.57033 2.517895  1962.553       101.9971 1923.715       
140.8333 2005.397       147.9189 95.57109 3.509941 97.56956 3.611025 -1.998466 
5.035791 
1 1 1 -2  -11 18 o 56.45210 3.231208  687.7104       74.04409 608.0018       
116.9474 741.0416       95.65959 53.61316 5.195656 59.29103 3.842913 -5.677876 
6.462416 
1 1 1 -2  -11 19 o 58.90891 3.241945  729.5178       77.64493 750.2040       
127.5406 717.3364       97.87161 59.51874 5.104060 58.29909 3.998674 1.219646 
6.483890 
1 1 1 -2  -11 20 o 48.50179 4.298971  552.2912       77.32106 356.8686       
121.7957 684.2233       100.0736 40.12963 7.507286 56.87395 4.191093 -16.74432 
8.597941 
1 1 1 -2  -11 21 o 38.01208 3.948971  268.8535       56.93542 408.0607       
114.5358 223.1647       65.61687 43.62479 6.253582 32.39938 4.823918 11.22541 
7.897941 
1 1 1 -2  -11 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -11 23 o 61.42764 3.276459  795.0430       72.88393 829.0533       
147.6869 784.0931       83.79927 62.01278 5.672597 60.84250 3.280607 1.170273 
6.552919 
1 1 1 -2  -11 24 o 54.90918 3.391825  647.7567       68.80556 649.9982       
133.8420 646.9515       80.21709 54.65713 5.832662 55.16123 3.463809 
-0.5041008     6.783651 
1 1 1 -2  -11 25 o 34.64219 4.868342  286.1049       62.31060 240.2647       
116.2538 304.5822       73.80798 31.74071 8.536757 37.54367 4.682607 -5.802965 
9.736685 
1 1 1 -2  -11 26 o 31.81194 6.386729  185.6579       83.16595 423.2767       
169.7176 110.5689       95.40572 40.98034 9.950025 22.64353 8.009883 18.33681 
12.77346 
1 1 1 -2  -11 27 o 53.15656 4.879308  602.9786       98.28853 764.0077       
192.1570 545.9194       114.3844 56.78110 8.060715 49.53201 5.500497 7.249092 
9.758616 
1 1 1 -2  -11 28 o 67.03548 4.363989  982.9496       114.7098 1160.011       
208.3978 905.9847       137.3972 70.32468 7.058403 63.74627 5.133862 6.578411 
8.727978 
1 1 1 -2  -11 29 o 70.16353 4.286879  1092.281       113.3409 1255.473       
218.7188 1032.369       132.5226 72.22775 7.212785 68.09930 4.635198 4.128448 
8.573758 
1 1 1 -2  -11 30 o 64.54259 5.397853  1068.310       113.9333 1016.844       
247.0960 1082.206       128.3967 59.72635 9.854188 69.35882 4.409337 -9.632465 
10.79571 
1 1 1 -2  -10 1  o 40.53281 1.306243  344.8908       22.16588 311.0987       
30.94033 380.5212       31.77075 38.49311 1.914533 42.57249 1.777540 -4.079380 
2.612487 
1 1 1 -2  -10 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -10 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -10 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -10 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -10 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -10 7  o 74.65935 2.075071  1170.393       65.04233 0.000000       
0.000000 1170.393       65.04233 ?        ?        74.65935 2.075071 ? ? 
1 1 1 -2  -10 8  o 428.3098 5.787949  38693.64       1040.366 39631.65       
1463.905 37736.44       1478.808 433.5891 8.041842 423.0305 8.326473 10.55856 
11.57590 
1 1 1 -2  -10 9  o 354.9815 5.018814  26607.70       710.5363 26359.50       
1208.479 26738.83       878.4084 353.5089 8.142537 356.4542 5.869672 -2.945313 
10.03763 
1 1 1 -2  -10 10 o 484.0458 7.463986  49842.23       1288.464 49254.46       
2638.425 50026.31       1476.496 480.9767 13.06597 487.1150 7.219744 -6.138245 
14.92797 
1 1 1 -2  -10 11 o 311.7278 5.332012  20551.19       691.6709 20210.90       
1045.361 20816.16       922.4661 309.3074 8.050022 314.1483 6.994179 -4.840912 
10.66402 
1 1 1 -2  -10 12 o 192.5812 3.577440  7748.743       263.2683 7664.957       
312.3110 7954.470       489.3798 190.9148 3.896447 194.2475 6.000833 -3.332718 
7.154879 
1 1 1 -2  -10 13 o 113.3197 2.545427  2697.247       119.0930 2681.659       
154.7504 2719.888       186.5059 112.9378 3.263725 113.7016 3.907032 
-0.7638474     5.090855 
1 1 1 -2  -10 14 o 94.92781 2.279128  1900.816       88.22630 1871.233       
142.3239 1919.279       112.4357 94.30445 3.594733 95.55117 2.802782 -1.246719 
4.558255 
1 1 1 -2  -10 15 o 120.9267 3.000626  3087.216       151.6856 3021.074       
223.8215 3143.397       206.2820 119.7024 4.453689 122.1511 4.022398 -2.448639 
6.001253 
1 1 1 -2  -10 16 o 202.8079 3.237430  8688.127       253.2166 8698.707       
303.3663 8663.823       459.7912 203.2303 3.555493 202.3854 5.411310 0.8449097 
6.474860 
1 1 1 -2  -10 17 o 64.77486 2.578271  862.8898       67.42057 959.4379       
114.5278 811.6871       83.40375 67.45430 4.044103 62.09542 3.199242 5.358875 
5.156541 
1 1 1 -2  -10 18 o 49.39568 3.426374  525.1860       68.96063 470.1547       
108.3083 562.7057       89.43079 47.13530 5.473140 51.65606 4.123698 -4.520756 
6.852748 
1 1 1 -2  -10 19 o 126.9669 3.153053  3410.775       167.0415 3473.143       
225.3114 3334.656       248.9128 128.3023 4.182825 125.6316 4.719211 2.670746 
6.306106 
1 1 1 -2  -10 20 o 21.04518 5.320561  78.82504       63.43039 -6.976595      
108.5532 123.3093       78.16248 18.19097 7.835567 23.89939 7.199816 -5.708420 
10.64112 
1 1 1 -2  -10 21 o 163.8886 4.607159  5726.394       301.3976 5824.282       
514.2592 5675.178       371.9798 164.4654 7.447811 163.3118 5.425289 1.153580 
9.214318 
1 1 1 -2  -10 22 o 98.68578 3.252982  2056.752       134.7768 0.000000       
0.000000 2056.752       134.7768 ?        ?        98.68578 3.252982 ? ? 
1 1 1 -2  -10 23 o 21.20157 4.518290  99.65636       56.42311 -143.6158      
118.7011 170.6674       64.13150 14.69383 7.005614 27.70931 5.707988 -13.01549 
9.036579 
1 1 1 -2  -10 24 o 48.50214 3.906573  483.1380       71.66288 564.5987       
139.1277 453.7203       83.60718 50.89896 6.510673 46.10531 4.319303 4.793652 
7.813146 
1 1 1 -2  -10 25 o 47.46759 4.134491  516.2585       71.17145 438.9117       
135.4876 545.7352       83.64079 44.39699 7.268872 50.53819 3.942026 -6.141205 
8.268982 
1 1 1 -2  -10 26 o 40.96635 4.882204  360.4026       69.96364 424.7304       
145.6905 341.1213       79.76268 42.26727 8.508961 39.66545 4.789701 2.601818 
9.764407 
1 1 1 -2  -10 27 o 63.49799 3.990862  875.7563       105.0496 1007.723       
165.3605 786.4604       136.0244 67.30309 5.852184 59.69289 5.427694 7.610191 
7.981724 
1 1 1 -2  -10 28 o 21.28873 6.180785  64.06254       79.44482 97.00108       
156.2288 52.57428       92.26479 23.78297 9.764467 18.79449 7.580475 4.988480 
12.36157 
1 1 1 -2  -10 29 o 81.60052 4.453000  1497.277       130.1960 1610.785       
266.2621 1461.609       149.2566 81.66927 7.765540 81.53178 4.360414 0.1374893 
8.905999 
1 1 1 -2  -10 30 o 56.09646 5.332630  799.8179       106.7167 705.3500       
195.0929 840.1527       127.4794 51.18274 9.432829 61.01017 4.976898 -9.827427 
10.66526 
1 1 1 -2  -10 31 o 33.43981 6.789778  313.8702       90.78802 395.2480       
185.3789 288.1934       104.1306 33.98894 11.20333 32.89068 7.673970 1.098259 
13.57956 
1 1 1 -2  -9  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  6  o 343.9474 4.342322  24859.15       627.0369 24859.15       
627.0369 0.000000       0.000000 343.9474 4.342322 ?        ?        ? ? 
1 1 1 -2  -9  7  o 274.1411 4.063557  15960.90       455.5637 15087.19       
721.1447 16541.14       587.6768 267.7727 6.414713 280.5094 4.990134 -12.73672 
8.127114 
1 1 1 -2  -9  8  o 167.5130 2.336583  5900.535       163.8491 5981.106       
224.2017 5808.175       240.0438 168.7462 3.164652 166.2797 3.438526 2.466522 
4.673166 
1 1 1 -2  -9  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -9  10 o 291.3616 4.414844  18171.33       511.0291 18855.28       
634.7611 16911.46       861.5140 299.4268 5.049411 283.2964 7.243398 16.13040 
8.829687 
1 1 1 -2  -9  11 o 130.4680 2.844504  3386.397       125.4366 3906.521       
287.6111 3264.224       139.3922 136.2733 5.027081 124.6627 2.663320 11.61065 
5.689008 
1 1 1 -2  -9  12 o 52.99026 2.476292  593.2853       54.70885 558.6227       
80.85107 622.5607       74.30302 51.55057 3.735712 54.42996 3.251544 -2.879391 
4.952583 
1 1 1 -2  -9  13 o 50.79784 2.644221  558.0031       54.49834 402.3420       
78.38001 703.6924       75.82791 43.73143 4.269065 57.86427 3.121330 -14.13284 
5.288442 
1 1 1 -2  -9  14 o 263.1742 4.438295  14365.50       328.5524 14276.50       
351.5674 14979.28       923.2415 260.5849 3.213516 265.7634 8.274488 -5.178497 
8.876590 
1 1 1 -2  -9  15 o 142.1451 3.028842  4273.275       180.0133 3958.939       
259.7669 4563.690       249.6866 137.0687 4.514052 147.2215 4.039662 -10.15285 
6.057684 
1 1 1 -2  -9  16 o 255.0304 3.981189  13279.13       244.8060 13176.74       
256.3100 14343.59       826.4067 250.3704 2.438392 259.6904 7.579821 -9.320007 
7.962377 
1 1 1 -2  -9  17 o 113.9996 2.815884  2737.775       126.1740 2744.810       
221.6014 2734.401       153.4816 114.0236 4.629125 113.9756 3.207492 
0.4799652E-01  5.631767 
1 1 1 -2  -9  18 o 39.36663 3.798471  328.4367       60.66655 325.6550       
99.27039 330.0948       76.64421 39.19323 6.032950 39.54004 4.617037 
-0.3468018     7.596942 
1 1 1 -2  -9  19 o 285.0815 7.328109  17532.75       810.2572 17623.90       
1454.969 17491.77       975.5240 284.0557 12.20032 286.1074 8.121383 -2.051697 
14.65622 
1 1 1 -2  -9  20 o 126.6611 3.412121  3323.158       167.9906 3571.963       
306.1559 3215.977       200.9426 129.8276 5.616901 123.4946 3.875656 6.333023 
6.824242 
1 1 1 -2  -9  21 o 217.8643 9.205059  10289.84       841.9602 10289.84       
841.9602 0.000000       0.000000 217.8643 9.205059 ?        ?        ? ? 
1 1 1 -2  -9  22 o 42.81781 4.846472  471.3163       68.18732 277.2047       
131.8074 542.2490       79.67776 34.98744 8.939378 50.64818 3.747092 -15.66074 
9.692945 
1 1 1 -2  -9  23 o 122.6963 3.194505  3275.210       156.8125 2929.389       
257.0266 3480.256       197.9149 117.1598 5.225412 128.2328 3.676211 -11.07301 
6.389011 
1 1 1 -2  -9  24 o 43.38289 4.742727  460.7326       66.46382 336.8426       
137.0379 498.8387       76.00101 38.27346 8.719974 48.49231 3.733082 -10.21885 
9.485455 
1 1 1 -2  -9  25 f 73.71338 3.216370  1214.608       91.61527 1021.697       
157.4736 1313.310       112.6401 68.77479 5.453806 78.65196 3.411179 -9.877174 
6.432740 
1 1 1 -2  -9  26 o 18.48189 4.976542  52.38107       58.68940 -95.54117      
118.6467 100.3007       67.52985 15.66269 7.317751 21.30110 6.746435 -5.638412 
9.953083 
1 1 1 -2  -9  27 o 24.92229 5.356478  154.5498       67.24898 24.45809       
125.4674 206.9873       79.65756 19.92628 8.498334 29.91829 6.522710 -9.992010 
10.71296 
1 1 1 -2  -9  28 o 23.82486 5.960043  128.4493       77.06820 61.19367       
129.0776 165.7076       96.07225 21.38227 8.840343 26.26746 7.996049 -4.885187 
11.92009 
1 1 1 -2  -9  29 o 33.97193 6.956068  252.7994       91.75026 439.7256       
194.6696 199.4187       104.0292 39.67213 11.19895 28.27172 8.254151 11.40042 
13.91214 
1 1 1 -2  -9  30 o 36.65834 6.684000  317.1094       96.62962 501.0941       
182.1560 245.0598       113.9905 42.59045 10.28774 30.72622 8.536149 11.86423 
13.36800 
1 1 1 -2  -9  31 o 19.70260 5.968225  56.45354       86.03712 -63.91866      
181.6553 91.26492       97.68900 18.99918 8.916265 20.40601 7.935935 -1.406832 
11.93645 
1 1 1 -2  -9  32 o 47.29842 6.248821  654.0952       100.7029 556.9282       
201.8663 686.2875       116.1934 40.34293 11.40916 54.25390 5.101191 -13.91097 
12.49764 
1 1 1 -2  -8  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -8  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -8  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -8  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -8  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -8  6  o 145.9648 2.491485  4524.511       143.1533 4332.496       
247.8415 4620.644       175.3642 143.5977 4.111001 148.3318 2.815967 -4.734085 
4.982971 
1 1 1 -2  -8  7  o 658.5182 5.765213  91196.79       1593.904 91196.79       
1593.904 0.000000       0.000000 658.5182 5.765213 ?        ?        ? ? 
1 1 1 -2  -8  8  o 248.8379 4.279203  12227.05       284.9589 14091.31       
870.0740 12003.06       301.5925 258.6145 8.013538 239.0612 3.004917 19.55333 
8.558407 
1 1 1 -2  -8  9  o 344.1500 3.747815  24913.02       523.2133 24936.36       
659.9886 24873.54       858.3844 344.4429 4.563944 343.8572 5.945998 0.5856934 
7.495631 
1 1 1 -2  -8  10 o 415.5311 13.09525  36652.31       2284.526 0.000000       
0.000000 36652.31       2284.526 ?        ?        415.5311 13.09525 ? ? 
1 1 1 -2  -8  11 o 102.3445 2.281294  2203.919       97.81544 2362.656       
138.0735 2043.989       138.5918 106.0529 3.101051 98.63618 3.346744 7.416695 
4.562588 
1 1 1 -2  -8  12 o 548.1826 10.56003  64380.21       2332.443 64636.46       
2920.258 63928.70       3876.328 551.1582 12.62019 545.2070 16.93480 5.951233 
21.12006 
1 1 1 -2  -8  13 o 136.4946 3.224403  3915.844       184.4482 3974.870       
269.8542 3864.087       252.6893 137.4516 4.676279 135.5376 4.440667 1.914078 
6.448807 
1 1 1 -2  -8  14 o 121.0173 2.710034  3109.371       134.2200 2941.634       
212.0811 3221.441       173.3533 118.2416 4.272210 123.7930 3.335471 -5.551361 
5.420069 
1 1 1 -2  -8  15 o 247.1154 4.310483  12765.24       340.2926 12696.14       
374.4042 13093.46       815.9830 245.6754 3.629946 248.5554 7.819499 -2.880051 
8.620967 
1 1 1 -2  -8  16 o 81.31117 2.585512  1369.918       86.04070 1485.897       
140.4704 1300.277       108.8494 84.00289 3.983011 78.61946 3.297745 5.383430 
5.171025 
1 1 1 -2  -8  17 o 216.8341 4.243811  10041.66       379.3035 9459.949       
585.6943 10461.86       497.7938 211.1815 6.605963 222.4866 5.329257 -11.30510 
8.487622 
1 1 1 -2  -8  18 o 113.9587 3.087113  2733.678       146.9974 2675.740       
197.5376 2805.576       220.0514 112.6337 4.177367 115.2837 4.546500 -2.650032 
6.174225 
1 1 1 -2  -8  19 f 97.25851 3.395096  2016.002       135.5563 1906.671       
212.2162 2091.359       176.1840 94.94187 5.324046 99.57515 4.214407 -4.633278 
6.790191 
1 1 1 -2  -8  20 f 198.0908 3.776406  8156.833       305.3534 8911.052       
502.7065 7715.857       384.3912 205.0683 5.838981 191.1134 4.790748 13.95485 
7.552812 
1 1 1 -2  -8  21 o 91.45851 6.497412  1779.764       249.4845 0.000000       
0.000000 1779.764       249.4845 ?        ?        91.45851 6.497412 ? ? 
1 1 1 -2  -8  22 o 85.08723 2.917458  1438.840       94.30095 1748.499       
183.4997 1327.712       109.9273 90.82600 4.812229 79.34845 3.299803 11.47755 
5.834917 
1 1 1 -2  -8  23 o 39.29723 4.808721  347.5348       64.14211 320.5710       
133.4363 355.6375       73.14743 37.63169 8.625789 40.96278 4.253346 -3.331085 
9.617442 
1 1 1 -2  -8  24 o 57.81215 3.376678  714.1089       71.65231 707.6747       
140.5603 716.3679       83.28609 57.42739 5.829950 58.19691 3.408738 
-0.7695160     6.753356 
1 1 1 -2  -8  25 o 38.68887 4.932455  317.5459       66.09649 361.9211       
140.0291 304.8246       74.97434 39.61860 8.657289 37.75914 4.729461 1.859455 
9.864910 
1 1 1 -2  -8  26 f 56.81758 3.350127  665.5169       70.06635 754.3363       
141.1389 636.4686       80.71474 58.93103 5.704580 54.70414 3.514421 4.226887 
6.700253 
1 1 1 -2  -8  27 o 49.27235 4.734997  572.3968       75.02084 498.4591       
160.7677 592.9788       84.82234 45.91350 8.657072 52.63121 3.838734 -6.717705 
9.469994 
1 1 1 -2  -8  28 o 40.95896 4.645241  325.5895       71.34853 531.0419       
142.8314 257.2769       82.36039 48.35498 7.035638 33.56294 6.067360 14.79203 
9.290482 
1 1 1 -2  -8  29 o 36.61248 5.296991  307.8013       68.99107 338.5032       
142.4829 298.3985       78.85107 36.47075 9.280101 36.75421 5.110008 
-0.2834625     10.59398 
1 1 1 -2  -8  30 o 22.43716 6.522819  74.78713       86.55119 143.8663       
176.7435 52.99591       99.26834 25.81717 10.45923 19.05717 7.797005 6.760000 
13.04564 
1 1 1 -2  -8  31 o 43.85496 6.216753  541.1166       94.94810 412.6466       
192.3769 582.4892       109.1714 36.91398 11.33076 50.79594 5.119184 -13.88197 
12.43351 
1 1 1 -2  -8  32 o 41.52747 6.653365  486.2036       98.90591 504.9483       
211.3193 480.9455       111.9216 38.11243 11.91152 44.94251 5.931679 -6.830082 
13.30673 
1 1 1 -2  -7  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -7  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -7  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -7  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -7  5  o 285.5127 3.946717  17150.65       420.8756 17115.55       
806.8547 17163.78       493.3053 285.2063 6.738408 285.8192 4.110981 
-0.6128540     7.893435 
1 1 1 -2  -7  6  o 338.6279 4.129014  24502.16       540.0081 23111.64       
964.4029 25137.26       651.7642 331.3925 6.931655 345.8633 4.488561 -14.47079 
8.258027 
1 1 1 -2  -7  7  o 517.8857 4.831897  56371.56       1050.583 0.000000       
0.000000 56371.56       1050.583 ?        ?        517.8857 4.831897 ? ? 
1 1 1 -2  -7  8  o 151.7352 3.116234  4635.524       171.1073 5240.839       
354.6673 4451.895       195.3443 157.8823 5.350677 145.5881 3.195921 12.29424 
6.232469 
1 1 1 -2  -7  9  o 83.40596 1.650330  1439.074       56.58871 1360.655       
72.15003 1564.425       91.21967 80.49940 2.134838 86.31253 2.517304 -5.813133 
3.300660 
1 1 1 -2  -7  10 o 111.4437 1.963454  2611.447       91.63464 2656.177       
125.8316 2560.941       133.7088 112.4630 2.665023 110.4243 2.884138 2.038651 
3.926908 
1 1 1 -2  -7  11 o 203.6751 3.866707  8652.865       324.9507 8351.938       
418.9797 9107.120       514.7701 199.3006 5.007321 208.0495 5.893424 -8.748947 
7.733415 
1 1 1 -2  -7  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -7  13 o 169.4698 3.543859  6020.343       245.1973 5949.725       
311.4124 6135.540       397.7385 168.2094 4.409678 170.7302 5.548918 -2.520828 
7.087718 
1 1 1 -2  -7  14 o 192.6289 3.558617  7793.581       286.5370 7983.651       
427.8355 7638.979       385.8570 194.7328 5.233096 190.5249 4.823872 4.207977 
7.117235 
1 1 1 -2  -7  15 o 130.2056 2.648095  3554.483       144.4423 3407.751       
196.5416 3726.808       212.9934 127.2971 3.677539 133.1141 3.811213 -5.817024 
5.296190 
1 1 1 -2  -7  16 o 36.30049 2.819392  280.8082       42.41648 309.2042       
57.61972 247.2164       62.66993 38.33817 3.579818 34.26281 4.356696 4.075356 
5.638785 
1 1 1 -2  -7  17 o 122.0107 2.314644  3162.298       115.3443 3272.016       
148.4028 2994.880       183.3171 124.7439 2.833634 119.2775 3.660713 5.466476 
4.629287 
1 1 1 -2  -7  18 o 112.4375 2.721866  2660.354       128.2274 2613.422       
175.1939 2714.503       188.1841 111.3818 3.746499 113.4932 3.949427 -2.111328 
5.443733 
1 1 1 -2  -7  19 f 299.7240 7.978344  19631.44       940.3364 19172.46       
1632.718 19859.25       1150.263 295.2461 13.17189 304.2018 9.006508 -8.955750 
15.95669 
1 1 1 -2  -7  20 o 78.36311 2.818217  1285.430       90.77968 1338.692       
145.1706 1251.229       116.3306 79.65557 4.340939 77.07064 3.595224 2.584930 
5.636433 
1 1 1 -2  -7  21 o 87.84441 3.394287  1625.216       125.1819 0.000000       
0.000000 1625.216       125.1819 ?        ?        87.84441 3.394287 ? ? 
1 1 1 -2  -7  22 o 107.7757 3.095420  2555.913       123.9957 2232.206       
230.8300 2687.205       147.0063 102.6005 5.358755 112.9509 3.100041 -10.35035 
6.190840 
1 1 1 -2  -7  23 o 145.5095 3.271768  4457.834       197.2552 4673.618       
307.7092 4307.301       257.0086 148.3790 4.939570 142.6400 4.291680 5.738937 
6.543536 
1 1 1 -2  -7  24 o 149.6697 4.215993  4680.790       226.8094 5029.804       
467.8336 4573.553       259.3232 152.4767 7.308179 146.8628 4.205818 5.613831 
8.431986 
1 1 1 -2  -7  25 o 49.68602 3.769020  530.2108       70.67531 525.1132       
132.5832 532.2344       83.53316 49.29972 6.405677 50.07232 3.973583 
-0.7725983     7.538041 
1 1 1 -2  -7  26 o 24.73676 5.822284  126.3678       64.81950 140.1557       
127.3417 121.5460       75.30544 26.09070 9.251407 23.38282 7.071594 2.707878 
11.64457 
1 1 1 -2  -7  27 o 67.46616 3.309266  978.2824       84.20435 983.9278       
158.6265 976.0677       99.35902 67.22730 5.620190 67.70502 3.495485 
-0.4777222     6.618531 
1 1 1 -2  -7  28 o 27.52178 5.816469  176.7157       66.37355 166.7511       
136.6914 179.7900       75.92521 27.16929 9.589937 27.87427 6.584705 
-0.7049751     11.63294 
1 1 1 -2  -7  29 o 23.34084 5.400320  132.3937       67.79580 -24.17274      
138.3651 181.8568       77.77110 18.87155 8.451507 27.81012 6.725018 -8.938568 
10.80064 
1 1 1 -2  -7  30 o 22.78215 6.085929  90.49194       69.03577 171.8279       
145.2733 66.76609       78.46127 26.74643 9.841297 18.81787 7.162611 7.928564 
12.17186 
1 1 1 -2  -7  31 o 19.66980 5.938653  40.34831       87.52892 -125.4406      
182.2174 90.07689       99.79645 18.42541 8.738476 20.91419 8.044219 -2.488777 
11.87731 
1 1 1 -2  -7  32 o 20.71854 6.286232  66.99900       87.54720 35.10365       
188.3209 75.79253       98.88181 21.71746 9.787371 19.71962 7.891404 1.997841 
12.57246 
1 1 1 -2  -7  33 o 23.81789 6.586797  157.9429       89.65204 127.4112       
196.3391 165.9857       100.7708 23.23699 10.26229 24.39880 8.260080 -1.161814 
13.17359 
1 1 1 -2  -6  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -6  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -6  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -6  4  o 169.3494 2.357833  5963.132       152.6011 6169.709       
284.2420 5879.480       180.8788 171.3698 3.950709 167.3290 2.574764 4.040771 
4.715667 
1 1 1 -2  -6  5  o 259.6695 2.747627  13952.40       262.6763 14608.89       
521.2061 13728.88       304.1232 263.6552 4.708627 255.6839 2.833135 7.971268 
5.495255 
1 1 1 -2  -6  6  o 240.7968 2.993453  12084.36       273.0657 12411.69       
515.2732 11956.53       321.9990 242.9984 5.050742 238.5951 3.214504 4.403275 
5.986905 
1 1 1 -2  -6  7  o 460.2875 6.344120  44698.06       1219.728 44301.20       
1814.604 45025.16       1647.402 458.3204 9.430479 462.2545 8.488669 -3.934082 
12.68824 
1 1 1 -2  -6  8  o 484.4835 6.145430  49633.42       1088.923 49802.20       
1262.559 49143.27       2151.586 486.5805 6.180422 482.3864 10.62392 4.194122 
12.29086 
1 1 1 -2  -6  9  o 113.6428 1.905333  2677.031       84.83915 2809.121       
151.6163 2616.819       102.3655 115.6494 3.122650 111.6362 2.184086 4.013229 
3.810666 
1 1 1 -2  -6  10 o 75.14212 1.739209  1184.041       54.80851 1219.562       
79.77277 1152.280       75.43118 76.20776 2.493312 74.07648 2.425446 2.131271 
3.478418 
1 1 1 -2  -6  11 o 60.56762 1.707255  765.3821       42.98074 804.3124       
66.27065 737.1176       56.46738 61.88713 2.550598 59.24812 2.270096 2.639015 
3.414510 
1 1 1 -2  -6  12 o 130.9525 2.668208  3491.313       135.0813 3328.675       
160.3496 3888.852       250.6958 125.8854 3.033987 136.0197 4.390018 -10.13430 
5.336416 
1 1 1 -2  -6  13 o 412.0026 10.32701  35930.36       1786.296 0.000000       
0.000000 35930.36       1786.296 ?        ?        412.0026 10.32701 ? ? 
1 1 1 -2  -6  14 o 274.6154 5.013981  15879.02       576.6664 15555.64       
785.1157 16257.86       849.7756 271.6208 6.884805 277.6099 7.291056 -5.989014 
10.02796 
1 1 1 -2  -6  15 o 119.6823 2.469328  3011.212       124.0649 2966.526       
175.5285 3055.823       175.3801 118.7936 3.519455 120.5709 3.464645 -1.777290 
4.938657 
1 1 1 -2  -6  16 o 157.5703 3.147258  5203.522       205.3989 5090.066       
267.9590 5365.157       319.8329 155.5304 4.103687 159.6102 4.772912 -4.079880 
6.294516 
1 1 1 -2  -6  17 o 151.1257 3.224182  4794.428       200.9567 4719.039       
259.9030 4906.497       316.8845 149.7041 4.135221 152.5473 4.947862 -2.843231 
6.448363 
1 1 1 -2  -6  18 o 331.8901 7.056094  23612.48       982.0938 23099.54       
1351.802 24185.84       1429.209 328.1985 9.810641 335.5817 10.14422 -7.383118 
14.11219 
1 1 1 -2  -6  19 o 171.9596 2.774516  6258.905       195.1720 6112.901       
311.5074 6353.256       250.4166 170.2201 4.358917 173.6991 3.433891 -3.479019 
5.549033 
1 1 1 -2  -6  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -6  21 o 148.7107 3.012132  4664.498       188.0445 4728.677       
267.9539 4602.218       263.9612 149.7180 4.262921 147.7035 4.256674 2.014450 
6.024265 
1 1 1 -2  -6  22 o 140.4036 2.616962  4116.720       150.2818 4323.889       
244.2124 3990.454       190.6558 143.1602 4.063184 137.6471 3.299166 5.513092 
5.233924 
1 1 1 -2  -6  23 o 40.21772 3.315529  342.4504       55.44475 282.5150       
76.68401 408.1053       80.25957 36.50647 5.003294 43.92898 4.351779 -7.422508 
6.631058 
1 1 1 -2  -6  24 o 142.2244 3.884460  4143.183       194.4705 4626.493       
417.4356 4009.211       219.7771 146.7548 6.775139 137.6941 3.801792 9.060745 
7.768921 
1 1 1 -2  -6  25 o 69.92677 3.259937  1029.132       85.37849 1064.545       
164.1052 1015.990       99.97439 70.53902 5.541328 69.31451 3.435466 1.224510 
6.519873 
1 1 1 -2  -6  26 o 80.47066 3.023917  1410.564       96.90723 1271.741       
160.7663 1489.792       121.4521 77.08955 4.967303 83.85178 3.449958 -6.762230 
6.047835 
1 1 1 -2  -6  27 o 99.96986 3.327326  2101.182       124.0878 2242.977       
241.5148 2050.326       144.6386 101.7240 5.655115 98.21571 3.507715 3.508286 
6.654652 
1 1 1 -2  -6  28 o 36.14290 5.373887  300.7527       71.21876 296.5162       
140.2799 302.2238       82.66452 35.00847 9.360313 37.27732 5.281965 -2.268852 
10.74777 
1 1 1 -2  -6  29 o 42.62909 4.889554  389.5191       76.79919 479.5207       
149.3311 357.1540       89.54945 44.90564 8.227452 40.35255 5.285827 4.553085 
9.779107 
1 1 1 -2  -6  30 o 69.75021 3.535853  1072.603       89.57620 1066.404       
177.5428 1074.720       103.7491 68.78520 6.147933 70.71523 3.494560 -1.930031 
7.071706 
1 1 1 -2  -6  31 o 25.37717 5.170891  181.1355       69.57131 -63.23566      
152.6427 245.2103       78.16184 18.29863 8.452522 32.45570 5.958801 -14.15707 
10.34178 
1 1 1 -2  -6  32 o 57.48199 5.236371  778.3832       104.5895 835.3104       
220.6278 761.8817       118.7848 56.61181 9.282698 58.35218 4.848693 -1.740372 
10.47274 
1 1 1 -2  -6  33 f 25.75443 6.940202  117.8336       83.01573 376.4839       
202.6503 65.67591       91.00181 32.93770 11.67154 18.57116 7.512705 14.36654 
13.88040 
1 1 1 -2  -5  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -5  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -5  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -5  4  o 101.1780 1.309365  2046.331       50.93285 1907.781       
59.96340 2405.228       96.50925 95.32679 1.498278 107.0293 2.147768 -11.70247 
2.618730 
1 1 1 -2  -5  5  o 143.6077 1.955825  4346.578       117.4882 4612.905       
162.8801 4057.710       169.6324 148.2131 2.617595 139.0023 2.906752 9.210785 
3.911651 
1 1 1 -2  -5  6  o 209.3932 2.648160  9224.463       214.0051 9245.937       
256.5281 9175.313       388.1074 209.8245 2.912057 208.9619 4.423905 0.8625793 
5.296321 
1 1 1 -2  -5  7  o 182.8724 2.557490  7046.911       181.8053 7083.545       
219.3425 6966.495       324.9722 183.6579 2.844686 182.0869 4.250975 1.570953 
5.114981 
1 1 1 -2  -5  8  o 418.8934 5.796680  36789.39       1005.998 38026.57       
1565.663 35919.46       1312.879 424.7541 8.779742 413.0328 7.571137 11.72134 
11.59336 
1 1 1 -2  -5  9  o 59.76256 1.626747  744.6230       40.61787 650.7158       
55.11913 856.2190       60.08649 55.66804 2.358400 63.85707 2.241242 -8.189034 
3.253493 
1 1 1 -2  -5  10 o 192.9703 2.705675  7821.772       208.0779 7818.634       
256.6451 7827.792       355.4596 192.9386 3.168363 193.0019 4.386819 
-0.6332397E-01 5.411349 
1 1 1 -2  -5  11 o 585.2048 6.311292  72086.91       1547.065 70279.16       
2106.911 74201.95       2278.965 577.3293 8.692478 593.0802 9.152618 -15.75085 
12.62258 
1 1 1 -2  -5  12 o 230.0359 2.315869  11138.67       220.0125 10985.79       
342.3397 11246.25       287.1700 228.6738 3.565840 231.3979 2.955975 -2.724091 
4.631738 
1 1 1 -2  -5  13 f 199.1788 3.282658  8331.339       274.2461 8543.281       
398.3026 8140.285       378.1655 201.5806 4.706364 196.7771 4.577501 4.803543 
6.565316 
1 1 1 -2  -5  14 f 228.6613 3.835757  10830.43       340.0598 10564.86       
406.5260 11449.31       620.5878 224.1675 4.319532 233.1551 6.339855 -8.987595 
7.671513 
1 1 1 -2  -5  15 o 207.7995 6.809205  9106.170       594.0455 9106.170       
594.0455 0.000000       0.000000 207.7995 6.809205 ?        ?        ? ? 
1 1 1 -2  -5  16 o 263.9525 5.253591  14299.76       536.2358 13674.95       
637.2106 15816.07       992.6600 254.6761 5.959582 273.2288 8.653568 -18.55261 
10.50718 
1 1 1 -2  -5  17 o 91.59694 2.466740  1781.602       93.81010 1914.985       
126.7826 1620.221       139.4561 95.43760 3.164181 87.75627 3.785127 7.681328 
4.933480 
1 1 1 -2  -5  18 o 219.1524 4.650132  10168.34       427.8168 10266.45       
603.4620 10069.21       606.5987 220.2290 6.526742 218.0757 6.625449 2.153366 
9.300264 
1 1 1 -2  -5  19 o 16.40481 4.241320  35.09403       41.30997 80.86568       
58.73737 -9.704950      58.10992 19.73077 6.296291 13.07885 5.684355 6.651917 
8.482639 
1 1 1 -2  -5  20 o 34.20059 8.701610  260.2130       125.2818 0.000000       
0.000000 260.2130       125.2818 ?        ?        34.20059 8.701610 ? ? 
1 1 1 -2  -5  21 o 151.2610 2.951204  4826.184       187.1582 4810.916       
271.6552 4839.979       258.2191 151.0142 4.284709 151.5078 4.059518 
-0.4936371     5.902408 
1 1 1 -2  -5  22 o 195.7839 2.662482  8013.384       207.7225 8284.263       
357.6127 7875.453       255.1861 198.1430 4.298879 193.4248 3.142432 4.718231 
5.324964 
1 1 1 -2  -5  23 o 126.5961 2.420861  3361.655       127.4382 3267.683       
167.9233 3489.283       195.6979 124.5495 3.211368 128.6426 3.623451 -4.093117 
4.841723 
1 1 1 -2  -5  24 o 162.2771 3.144192  5572.307       213.2590 5534.896       
287.8940 5617.796       317.4559 161.7379 4.239767 162.8164 4.644151 -1.078506 
6.288383 
1 1 1 -2  -5  25 o 79.19025 2.390241  1321.670       79.33204 1376.562       
116.3981 1274.052       108.4120 80.71396 3.434934 77.66654 3.324792 3.047417 
4.780482 
1 1 1 -2  -5  26 o 48.77372 2.862426  508.8780       58.15298 556.9391       
80.18734 455.5583       84.46043 51.26334 3.725803 46.28410 4.346529 4.979244 
5.724852 
1 1 1 -2  -5  27 o 68.11683 3.323573  969.7593       85.37749 1046.988       
163.8112 940.9565       100.0395 69.65965 5.601230 66.57401 3.579215 3.085632 
6.647146 
1 1 1 -2  -5  28 o 161.4734 4.588294  5690.250       266.1100 5824.744       
540.1895 5647.154       305.7883 160.7902 8.002169 162.1566 4.491665 -1.366394 
9.176587 
1 1 1 -2  -5  29 o 31.50058 5.798669  243.5372       71.51094 204.2153       
144.5965 256.2687       82.27723 29.38111 9.894543 33.62005 6.049484 -4.238939 
11.59734 
1 1 1 -2  -5  30 o 51.71817 4.267794  575.7286       79.44521 641.6341       
163.8007 555.4564       90.84563 52.80478 7.388625 50.63156 4.273698 2.173218 
8.535588 
1 1 1 -2  -5  31 o 57.78291 4.249362  756.5308       87.46411 748.3640       
177.0394 759.1677       100.5981 56.45236 7.469798 59.11345 4.053449 -2.661091 
8.498725 
1 1 1 -2  -5  32 o 25.18466 6.444559  139.9298       77.21244 199.8367       
160.5466 121.9042       88.06602 27.73150 10.32000 22.63782 7.721845 5.093679 
12.88912 
1 1 1 -2  -5  33 o 56.61763 5.110473  760.2210       106.0831 830.2770       
208.7987 735.8455       123.1635 56.36244 8.823871 56.87283 5.158200 
-0.5103874     10.22095 
1 1 1 -2  -5  34 f 20.76478 6.496882  54.55146       87.70039 171.8759       
207.3569 28.99218       96.78291 24.63105 10.72200 16.89851 7.340064 7.732538 
12.99376 
1 1 1 -2  -4  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -4  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -4  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -4  4  o 279.5132 3.293321  16015.04       319.6404 17140.67       
694.3156 15712.31       360.0655 285.5080 5.792415 273.5185 3.135565 11.98947 
6.586641 
1 1 1 -2  -4  5  o 250.3953 3.346124  13213.71       347.5388 12927.69       
531.3924 13427.49       459.4150 247.9975 5.103746 252.7931 4.328735 -4.795593 
6.692247 
1 1 1 -2  -4  6  o 70.51154 1.484392  1018.395       43.40105 858.3303       
56.55743 1247.661       67.68802 63.93716 2.106966 77.08593 2.091500 -13.14877 
2.968783 
1 1 1 -2  -4  7  o 310.1104 3.982089  20289.78       456.1368 20367.02       
531.6525 20074.35       887.9169 311.3537 4.067194 308.8670 6.847340 2.486664 
7.964179 
1 1 1 -2  -4  8  f 230.2156 3.672347  11133.11       354.7138 11353.36       
512.7096 10930.89       491.2599 232.3941 5.254935 228.0370 5.131296 4.357132 
7.344694 
1 1 1 -2  -4  9  o 257.6431 3.399828  13937.35       328.0343 13982.56       
627.0787 13920.32       384.8983 257.8592 5.792426 257.4270 3.561337 0.4322205 
6.799656 
1 1 1 -2  -4  10 o 70.38759 1.691037  1036.600       49.52399 1067.524       
75.74872 1013.513       65.44962 71.29984 2.530509 69.47534 2.243869 1.824493 
3.382074 
1 1 1 -2  -4  11 o 222.0186 3.036561  10446.82       276.8319 10815.90       
359.6442 9910.188       433.6613 226.8983 3.775400 217.1389 4.757011 9.759399 
6.073121 
1 1 1 -2  -4  12 o 237.1876 3.049498  11826.49       303.4184 11726.13       
437.0418 11919.87       421.5729 236.2100 4.407027 238.1652 4.216144 -1.955170 
6.098996 
1 1 1 -2  -4  13 o 774.5316 9.080106  126130.7       2329.692 125404.7       
2590.994 129195.2       5323.298 771.2993 8.001374 777.7640 16.30249 -6.464722 
18.16021 
1 1 1 -2  -4  14 o 28.51985 3.389416  173.6833       39.40785 202.0287       
56.93151 147.6087       54.60359 31.00076 4.374228 26.03894 5.178677 4.961821 
6.778832 
1 1 1 -2  -4  15 o 271.6297 4.610313  15513.46       514.8977 15384.19       
662.8633 15710.11       817.5906 270.3068 5.841012 272.9526 7.134601 -2.645782 
9.220627 
1 1 1 -2  -4  16 o 88.99534 3.833724  1665.234       143.2409 0.000000       
0.000000 1665.234       143.2409 ?        ?        88.99534 3.833724 ? ? 
1 1 1 -2  -4  17 o 98.61232 2.615288  2004.977       100.3078 1941.829       
120.0343 2151.153       182.6274 96.12136 2.974448 101.1033 4.302509 -4.981911 
5.230576 
1 1 1 -2  -4  18 o 22.37479 4.687953  95.35841       47.55191 58.43327       
59.87987 158.4010       78.24143 17.89919 6.344277 26.85039 6.903458 -8.951208 
9.375905 
1 1 1 -2  -4  19 o 154.4949 2.740002  5030.804       177.2057 5082.435       
242.2471 4971.377       259.8963 155.3687 3.713780 153.6212 4.029675 1.747452 
5.480004 
1 1 1 -2  -4  20 o 121.5032 2.066017  3115.485       104.4762 3183.897       
139.7505 3028.805       157.3057 123.0391 2.705398 119.9672 3.123223 3.071915 
4.132033 
1 1 1 -2  -4  21 o 108.2534 2.099208  2461.044       94.89133 2511.759       
142.4057 2420.543       127.2610 109.2422 3.104973 107.2646 2.825922 1.977615 
4.198415 
1 1 1 -2  -4  22 o 159.1539 2.784838  5344.038       185.9200 5525.675       
260.8821 5156.581       265.0282 161.9211 3.837620 156.3867 4.036578 5.534378 
5.569676 
1 1 1 -2  -4  23 o 107.3948 2.412438  2434.250       108.5401 2527.046       
150.5947 2333.933       156.5777 109.5436 3.274491 105.2461 3.543604 4.297539 
4.824876 
1 1 1 -2  -4  24 o 121.2594 2.600165  3101.911       132.3001 3245.264       
188.6510 2963.175       185.5878 124.0247 3.623030 118.4940 3.730561 5.530754 
5.200330 
1 1 1 -2  -4  25 o 28.32564 4.656727  180.1989       54.64449 211.9000       
75.97608 146.2261       78.65128 30.98299 6.056867 25.66829 7.074942 5.314703 
9.313455 
1 1 1 -2  -4  26 o 51.09361 2.901330  553.8949       61.39782 679.6196       
89.15501 440.4821       84.67719 56.65434 3.748294 45.53288 4.429578 11.12146 
5.802661 
1 1 1 -2  -4  27 o 107.5174 2.361172  2451.058       106.3109 2501.890       
146.1553 2393.947       154.9200 108.7401 3.201444 106.2947 3.471497 2.445343 
4.722344 
1 1 1 -2  -4  28 o 29.05920 4.449603  188.8868       52.83292 236.6533       
78.16718 148.7121       71.68678 32.53797 5.942773 25.58043 6.624147 6.957535 
8.899206 
1 1 1 -2  -4  29 o 44.22174 3.321481  422.5966       61.58905 403.3484       
87.72887 441.3026       86.48461 43.19067 4.838087 45.25282 4.552126 -2.062153 
6.642962 
1 1 1 -2  -4  30 o 39.24868 5.381731  335.7210       74.67390 407.0700       
156.1115 314.5524       85.03294 40.64336 9.339378 37.85400 5.350526 2.789364 
10.76346 
1 1 1 -2  -4  31 o 121.0468 3.901256  3266.713       180.2939 3229.125       
329.7495 3282.742       215.3304 119.1002 6.594666 122.9935 4.170081 -3.893295 
7.802512 
1 1 1 -2  -4  32 o 36.87526 6.017174  355.3317       83.59312 300.0283       
167.0657 373.8016       96.54825 33.03749 10.62639 40.71302 5.648487 -7.675529 
12.03435 
1 1 1 -2  -4  33 o 35.42240 6.445201  301.3536       85.36700 417.0089       
176.5260 266.0498       97.52973 38.08461 10.63645 32.76019 7.282064 5.324421 
12.89040 
1 1 1 -2  -4  34 o 34.39469 6.668101  342.2510       95.68400 346.0895       
171.4763 340.5154       115.3041 32.85109 10.77504 35.93829 7.858292 -3.087193 
13.33620 
1 1 1 -2  -3  1  o 292.5422 2.330482  17884.65       258.8765 18186.27       
485.4460 17764.78       306.0218 294.2231 3.929934 290.8614 2.506036 3.361694 
4.660965 
1 1 1 -2  -3  2  o 248.0996 1.883545  12878.49       184.0381 13062.07       
323.0715 12790.30       223.9216 249.3884 3.085627 246.8109 2.160990 2.577545 
3.767091 
1 1 1 -2  -3  3  o 103.3423 1.545300  2254.117       66.55769 2358.315       
90.16917 2129.381       98.65587 105.9818 2.026507 100.7029 2.333469 5.278831 
3.090600 
1 1 1 -2  -3  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -3  5  o 265.2053 3.521198  14735.24       387.1511 14489.17       
506.8763 15079.82       599.8107 262.5810 4.597903 267.8297 5.334289 -5.248688 
7.042397 
1 1 1 -2  -3  6  o 171.1723 2.735521  6157.742       196.0857 6120.086       
287.2916 6190.583       268.2961 170.6774 4.009296 171.6673 3.722613 
-0.9899292     5.471042 
1 1 1 -2  -3  7  o 54.55671 1.581664  620.6082       36.08145 577.7269       
48.43790 674.0629       54.08095 52.45451 2.199498 56.65890 2.273512 -4.204384 
3.163329 
1 1 1 -2  -3  8  o 200.9274 2.396907  8415.893       176.4541 8349.886       
204.1661 8610.741       350.7801 199.4109 2.438685 202.4438 4.127163 -3.032852 
4.793815 
1 1 1 -2  -3  9  o 236.3240 2.954042  11436.07       202.5917 12151.71       
552.0592 11324.70       217.7865 240.4107 5.469566 232.2373 2.233675 8.173401 
5.908084 
1 1 1 -2  -3  10 f 123.4633 2.201355  3195.261       113.9833 3338.282       
165.9489 3067.525       156.8308 126.0732 3.135252 120.8533 3.090964 5.219910 
4.402710 
1 1 1 -2  -3  11 o 173.5599 2.534668  6304.493       169.7981 6387.157       
309.2907 6268.830       203.1496 174.3473 4.225447 172.7725 2.800673 1.574799 
5.069336 
1 1 1 -2  -3  12 o 198.2203 2.361196  8242.817       196.0922 8099.063       
267.8139 8408.952       287.9076 196.3631 3.248586 200.0776 3.427487 -3.714478 
4.722391 
1 1 1 -2  -3  13 o 440.3333 5.241878  41052.91       844.6116 40406.71       
1665.235 41276.72       980.0247 437.6165 9.063647 443.0502 5.268721 -5.433685 
10.48376 
1 1 1 -2  -3  14 o 245.4725 3.048538  12621.23       305.7020 12854.08       
495.0572 12477.73       388.6549 247.2609 4.768929 243.6841 3.798902 3.576859 
6.097076 
1 1 1 -2  -3  15 o 213.5707 2.835891  9595.947       253.7581 9440.664       
369.2290 9734.944       349.3333 211.9220 4.149930 215.2193 3.866160 -3.297287 
5.671782 
1 1 1 -2  -3  16 o 131.8728 2.399930  3572.841       128.2872 3961.801       
215.6915 3359.925       159.5821 137.2864 3.742197 126.4592 3.005764 10.82721 
4.799860 
1 1 1 -2  -3  17 o 197.6138 4.223845  7956.612       310.0038 7659.234       
359.0201 8828.096       614.6033 190.7846 4.482254 204.4430 7.160506 -13.65837 
8.447689 
1 1 1 -2  -3  18 o 77.84875 3.299926  1274.299       107.8536 1274.299       
107.8536 0.000000       0.000000 77.84875 3.299926 ?        ?        ? ? 
1 1 1 -2  -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -3  20 o 101.4133 2.549905  2129.634       106.2628 2336.335       
171.7785 2001.503       135.2456 105.3079 3.885339 97.51871 3.303362 7.789169 
5.099809 
1 1 1 -2  -3  21 o 130.0617 2.947403  3563.246       159.9433 3608.124       
240.6127 3527.717       214.0910 130.7621 4.382863 129.3613 3.941987 1.400818 
5.894806 
1 1 1 -2  -3  22 o 167.8243 3.242120  5934.463       227.6519 5814.852       
308.0731 6078.344       337.8849 165.9983 4.420497 169.6502 4.743898 -3.651886 
6.484240 
1 1 1 -2  -3  23 o 61.87399 2.452938  803.1219       63.47718 841.8165       
94.79114 771.6623       85.47113 63.21352 3.571732 60.53445 3.363086 2.679073 
4.905875 
1 1 1 -2  -3  24 o 168.7922 3.302877  6018.098       233.6933 6133.734       
341.4641 5916.216       320.5142 170.2879 4.776198 167.2966 4.563324 2.991348 
6.605755 
1 1 1 -2  -3  25 f 146.4904 2.626660  4531.444       161.5107 4500.936       
225.7999 4563.405       231.1141 145.9929 3.683944 146.9879 3.745122 
-0.9949951     5.253321 
1 1 1 -2  -3  26 o 54.91022 2.813988  639.3618       64.65644 704.1968       
91.97208 576.0112       90.91315 57.68764 3.797469 52.13281 4.153714 5.554829 
5.627976 
1 1 1 -2  -3  27 o 41.75990 3.680089  381.4634       62.79541 291.1637       
90.78176 464.3088       86.95409 36.80601 5.874907 46.71378 4.433698 -9.907772 
7.360177 
1 1 1 -2  -3  28 o 31.88436 4.204084  226.5025       54.15841 230.3980       
77.96850 222.8706       75.28507 32.14005 6.001174 31.62866 5.889244 0.5113907 
8.408168 
1 1 1 -2  -3  29 o 107.2914 2.537100  2450.415       114.1818 2410.710       
157.6874 2494.181       165.5547 106.4035 3.529897 108.1792 3.645179 -1.775681 
5.074199 
1 1 1 -2  -3  30 o 19.38490 4.823453  55.64965       57.37133 -40.67076      
84.11449 139.4378       78.45181 14.20757 6.457365 24.56224 7.166955 -10.35467 
9.646906 
1 1 1 -2  -3  31 o 96.11024 2.412899  1972.832       96.92259 1916.053       
130.2453 2043.294       145.0919 94.64060 3.277976 97.57990 3.541637 -2.939293 
4.825797 
1 1 1 -2  -3  32 o 62.13042 2.707076  833.8911       70.46032 808.5107       
95.99566 863.5359       103.7470 61.15143 3.739091 63.10940 3.915639 -1.957970 
5.414151 
1 1 1 -2  -3  33 o 29.54005 6.752512  196.9407       84.29244 330.9542       
173.7690 155.7031       96.39282 34.06239 10.82559 25.01771 8.074179 9.044682 
13.50502 
1 1 1 -2  -3  34 o 47.45199 5.772873  553.4316       96.86021 624.2151       
193.8750 529.8873       111.8148 46.96781 10.12106 47.93617 5.555935 
-0.9683609     11.54575 
1 1 1 -2  -3  35 o 22.42471 6.555255  108.5419       95.62783 209.0310       
165.8601 58.50388       117.0394 25.83416 10.26005 19.01525 8.161914 6.818903 
13.11051 
1 1 1 -2  -2  1  o 337.8873 4.314385  24000.62       611.4427 24245.41       
886.2039 23778.22       844.7089 339.5186 6.217147 336.2559 5.983541 3.262726 
8.628770 
1 1 1 -2  -2  2  o 400.4807 3.074319  33840.66       466.0720 34027.50       
551.5206 33373.91       871.7164 402.5065 3.263698 398.4549 5.210952 4.051544 
6.148638 
1 1 1 -2  -2  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -2  4  o 303.3972 2.907893  19327.04       365.5043 19416.33       
565.2867 19262.89       479.1334 303.9781 4.429427 302.8163 3.768758 1.161835 
5.815785 
1 1 1 -2  -2  5  o 373.6096 4.399182  29448.04       584.9346 29527.56       
669.2005 29190.63       1204.109 374.8775 4.251948 372.3417 7.702735 2.535767 
8.798364 
1 1 1 -2  -2  6  o 313.3974 3.024925  20453.34       393.9492 19433.96       
516.1274 21876.16       609.7632 304.1411 4.042061 322.6537 4.501380 -18.51254 
6.049850 
1 1 1 -2  -2  7  o 167.6405 2.233880  5923.499       152.6252 5813.471       
246.4041 5991.993       194.4102 166.3623 3.527882 168.9187 2.741338 -2.556335 
4.467760 
1 1 1 -2  -2  8  f 69.48167 1.670533  1009.347       48.55785 1063.405       
72.42649 965.2078       65.44529 71.16380 2.424150 67.79955 2.299178 3.364243 
3.341066 
1 1 1 -2  -2  9  o 332.0240 3.906435  23113.26       541.7277 23792.59       
813.3454 22571.61       726.2660 336.3738 5.759356 327.6743 5.279276 8.699524 
7.812870 
1 1 1 -2  -2  10 o 500.8833 6.339743  53153.62       1254.121 53682.43       
1536.876 52099.69       2169.669 504.9976 7.248873 496.7690 10.40304 8.228638 
12.67949 
1 1 1 -2  -2  11 o 202.5847 2.257437  8577.679       190.7988 8981.793       
289.0051 8265.465       254.0268 206.7886 3.328895 198.3808 3.050009 8.407791 
4.514875 
1 1 1 -2  -2  12 o 420.7198 5.608940  37294.67       983.3744 37338.75       
1313.680 37238.50       1483.081 421.0938 7.430736 420.3457 8.403869 0.7481079 
11.21788 
1 1 1 -2  -2  13 o 44.76547 2.169389  421.5428       40.70224 396.2374       
57.87391 446.3094       57.25439 43.43322 3.173817 46.09772 2.958356 -2.664505 
4.338777 
1 1 1 -2  -2  14 o 204.4135 2.724332  8816.604       218.1819 8677.163       
383.9080 8883.127       265.1671 203.1788 4.500595 205.6483 3.071252 -2.469559 
5.448665 
1 1 1 -2  -2  15 o 91.70673 1.950550  1766.607       74.88028 1764.093       
110.1463 1768.767       102.1038 91.64407 2.862771 91.76939 2.650119 
-0.1253204     3.901101 
1 1 1 -2  -2  16 o 47.86797 2.441765  488.2719       48.16158 383.5982       
68.51910 590.4872       67.70965 42.72033 3.820306 53.01560 3.042061 -10.29527 
4.883531 
1 1 1 -2  -2  17 o 151.9127 2.544174  4824.366       161.7192 4535.844       
218.0532 5177.068       241.0888 146.8964 3.535676 156.9290 3.659274 -10.03258 
5.088348 
1 1 1 -2  -2  18 o 156.8031 2.550474  5148.692       166.4979 5333.170       
254.2668 5010.213       220.2969 159.2362 3.803373 154.3700 3.399121 4.866196 
5.100948 
1 1 1 -2  -2  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  -2  20 o 149.1201 3.101435  4670.857       192.5440 4812.297       
293.7192 4564.274       254.9703 151.0569 4.631405 147.1833 4.126218 3.873672 
6.202869 
1 1 1 -2  -2  21 o 49.21786 2.705544  512.6438       55.49504 490.1294       
82.61077 531.1592       74.91595 48.21594 4.081005 50.21978 3.553208 -2.003834 
5.411089 
1 1 1 -2  -2  22 o 146.6784 2.601118  4485.546       157.7420 4797.592       
248.9119 4276.118       203.9176 150.8584 3.930042 142.4983 3.408522 8.360107 
5.202235 
1 1 1 -2  -2  23 o 73.95658 2.386141  1147.607       73.61806 1186.852       
111.3217 1117.105       98.14259 75.06538 3.532329 72.84779 3.208945 2.217590 
4.772282 
1 1 1 -2  -2  24 o 155.5165 2.748428  5073.446       171.5816 5190.777       
290.0510 5010.285       212.8109 156.7918 4.406280 154.2411 3.286356 2.550659 
5.496857 
1 1 1 -2  -2  25 o 120.7305 2.398848  3063.051       120.7463 2989.005       
160.6765 3159.121       183.0188 119.0875 3.213714 122.3734 3.562294 -3.285866 
4.797697 
1 1 1 -2  -2  26 o 38.32802 3.667663  314.1559       58.60860 329.0171       
79.58182 296.5428       86.63706 39.35909 4.816038 37.29696 5.532882 2.062134 
7.335325 
1 1 1 -2  -2  27 o 86.71083 2.364521  1575.668       85.45612 1482.785       
113.0111 1699.701       130.5930 83.77541 3.213110 89.64626 3.469834 -5.870857 
4.729041 
1 1 1 -2  -2  28 o 58.89407 2.593959  732.8386       63.95303 660.2625       
87.63394 815.5292       93.54130 55.77472 3.742450 62.01342 3.592847 -6.238701 
5.187917 
1 1 1 -2  -2  29 o 67.62234 2.469393  972.9266       69.90367 958.2531       
102.3878 985.7379       95.67107 67.10957 3.634000 68.13512 3.344496 -1.025543 
4.938786 
1 1 1 -2  -2  30 o 36.48794 4.373174  307.2434       63.00862 203.0226       
89.80370 408.2944       88.42752 29.53513 7.279438 43.44075 4.848543 -13.90562 
8.746347 
1 1 1 -2  -2  31 o 63.37053 2.743357  861.8765       72.69268 760.4496       
100.5024 973.1525       105.2691 59.40883 4.029457 67.33222 3.723909 -7.923389 
5.486713 
1 1 1 -2  -2  32 o 50.67696 2.985156  558.1603       63.38964 603.2823       
90.45650 514.6191       88.85786 52.74472 4.084904 48.60920 4.354101 4.135529 
5.970313 
1 1 1 -2  -2  33 o 34.07405 4.706007  272.5648       64.32975 252.0147       
84.40028 301.0539       99.37495 32.67945 6.379204 35.46865 6.920389 -2.789196 
9.412015 
1 1 1 -2  -2  34 o 12.65718 4.261887  -90.25711      61.99509 -98.07500      
82.57222 -80.15647      93.85639 11.90681 5.716271 13.40754 6.322892 -1.500730 
8.523774 
1 1 1 -2  -2  35 o 16.91235 5.579431  -34.85372      88.61138 -35.96350      
165.8227 -34.41015      104.8348 18.55363 8.661698 15.27107 7.035281 3.282562 
11.15886 
1 1 1 -2  -1  1  o 134.9267 1.438488  3697.751       77.29417 3453.104       
93.94196 4210.471       135.9973 128.2469 1.744753 141.6064 2.287539 -13.35959 
2.876977 
1 1 1 -2  -1  2  o 202.0869 2.245322  8080.361       138.3410 9316.122       
362.0776 7869.127       149.6985 210.5755 4.095575 193.5982 1.841777 16.97731 
4.490644 
1 1 1 -2  -1  3  o 208.6156 1.996165  8949.633       144.9314 8804.927       
163.5042 9480.229       313.0904 204.7851 1.901742 212.4461 3.510282 -7.660980 
3.992330 
1 1 1 -2  -1  4  o 205.6552 2.015149  8726.291       167.5815 8332.416       
208.2973 9449.063       282.1657 199.2014 2.490648 212.1089 3.168592 -12.90750 
4.030298 
1 1 1 -2  -1  5  o 49.22301 1.446626  501.3291       29.67510 436.1508       
39.39048 586.8685       45.12556 45.57714 2.058568 52.86890 2.033029 -7.291759 
2.893252 
1 1 1 -2  -1  6  o 328.7365 4.559210  22771.45       618.6305 22945.03       
806.0533 22522.67       964.9940 330.3286 5.812175 327.1445 7.025967 3.184082 
9.118420 
1 1 1 -2  -1  7  o 103.0909 1.633468  2126.296       65.86713 1960.800       
78.50417 2519.845       121.0594 96.63861 1.934920 109.5432 2.632291 -12.90463 
3.266936 
1 1 1 -2  -1  8  o 196.1879 2.186477  8097.204       171.0231 8127.174       
211.2501 8040.199       291.3436 196.7308 2.557677 195.6450 3.546973 1.085831 
4.372954 
1 1 1 -2  -1  9  o 263.4053 2.740626  14544.07       296.0952 14724.04       
473.5419 14428.53       379.4135 264.7191 4.260831 262.0915 3.448109 2.627533 
5.481253 
1 1 1 -2  -1  10 o 168.2569 1.868388  5955.292       131.6810 5764.708       
190.9485 6128.119       181.8357 165.6832 2.745106 170.8307 2.535328 -5.147552 
3.736776 
1 1 1 -2  -1  11 o 561.8622 8.336075  66756.41       1962.330 66680.83       
2689.610 66842.44       2869.415 561.6547 11.40620 562.0697 12.15974 
-0.4150391     16.67215 
1 1 1 -2  -1  12 o 334.5511 4.580641  23620.50       639.3753 24251.99       
864.2511 22857.03       950.2863 339.5535 6.062514 329.5487 6.868406 10.00482 
9.161282 
1 1 1 -2  -1  13 o 232.6394 2.990109  11464.51       276.1934 11087.24       
471.2620 11661.90       340.8705 229.6600 4.887628 235.6189 3.445882 -5.958862 
5.980218 
1 1 1 -2  -1  14 o 154.8144 2.153207  4959.190       131.4515 5250.545       
232.4953 4822.290       159.3698 158.0925 3.502871 151.5364 2.505014 6.556046 
4.306414 
1 1 1 -2  -1  15 o 448.1367 4.725098  41579.46       711.6653 43478.57       
1606.365 41115.69       793.8196 453.9870 8.427948 442.2864 4.275032 11.70062 
9.450196 
1 1 1 -2  -1  16 o 163.5727 2.594752  5604.029       177.8940 5246.530       
243.6812 6011.955       260.3004 158.0057 3.673418 169.1397 3.665645 -11.13397 
5.189504 
1 1 1 -2  -1  17 o 33.99906 2.968548  242.7936       42.34481 235.5795       
58.58965 250.6826       61.26942 33.47134 4.169355 34.52678 4.226771 -1.055447 
5.937097 
1 1 1 -2  -1  18 o 136.9162 2.738080  3937.681       154.1075 3919.410       
198.4744 3965.418       244.5507 136.5420 3.462256 137.2905 4.242772 
-0.7484283     5.476160 
1 1 1 -2  -1  19 o 157.7605 3.097394  5178.465       192.8616 5420.166       
339.5529 5063.354       234.3290 160.3693 5.043212 155.1517 3.597417 5.217651 
6.194788 
1 1 1 -2  -1  20 o 122.9793 3.626738  3183.037       187.2523 0.000000       
0.000000 3183.037       187.2523 ?        ?        122.9793 3.626738 ? ? 
1 1 1 -2  -1  21 o 157.3182 2.423135  5201.999       155.4639 5244.415       
252.2341 5176.014       197.4210 157.7818 3.807746 156.8547 2.997899 0.9271393 
4.846270 
1 1 1 -2  -1  22 f 188.1440 3.462920  7421.102       263.2770 7693.736       
439.7202 7268.750       328.7079 190.6578 5.493423 185.6302 4.217766 5.027573 
6.925839 
1 1 1 -2  -1  23 o 91.24644 2.448929  1753.597       93.10223 1751.809       
140.5459 1754.995       124.2819 91.18683 3.671193 91.30605 3.242123 
-0.1192245     4.897859 
1 1 1 -2  -1  24 o 53.29733 2.853356  605.5309       63.11945 540.1146       
93.18975 660.9794       85.79662 50.58658 4.387871 56.00808 3.648720 -5.421501 
5.706713 
1 1 1 -2  -1  25 o 150.8375 3.215400  4779.179       199.7132 4967.702       
317.5150 4655.770       256.8939 153.1865 4.937019 148.4885 4.120806 4.697998 
6.430800 
1 1 1 -2  -1  26 o 51.43600 3.019032  569.5004       64.05095 469.1324       
93.36866 658.7194       88.03032 47.03410 4.728347 55.83789 3.755125 -8.803787 
6.038064 
1 1 1 -2  -1  27 o 114.4208 2.636127  2745.604       125.5158 2597.330       
165.1038 2948.641       193.2018 110.8356 3.548125 118.0059 3.899674 -7.170303 
5.272253 
1 1 1 -2  -1  28 o 90.98724 2.387846  1751.622       91.20415 1721.761       
127.8437 1782.572       130.1516 90.19792 3.376011 91.77656 3.377838 -1.578636 
4.775692 
1 1 1 -2  -1  29 o 120.7631 2.550056  3085.343       128.8333 3245.594       
192.0868 2954.311       173.6942 123.5626 3.702811 117.9635 3.507184 5.599030 
5.100112 
1 1 1 -2  -1  30 o 69.66962 2.486878  1033.924       72.73840 1023.106       
102.6963 1044.814       103.0399 69.30025 3.529726 70.03899 3.504181 
-0.7387390     4.973756 
1 1 1 -2  -1  31 o 31.79853 4.802080  234.4315       62.08471 228.7915       
89.71738 239.6141       86.00246 31.34071 6.997378 32.25635 6.578495 
-0.9156361     9.604160 
1 1 1 -2  -1  32 o 28.07175 5.031310  186.7800       59.37321 198.9247       
86.34519 175.8872       81.77397 28.92543 7.143251 27.21807 7.087333 1.707363 
10.06262 
1 1 1 -2  -1  33 o 37.29005 4.142797  313.7518       64.81493 329.7680       
92.81240 298.5057       90.55362 38.25381 5.778996 36.32630 5.937529 1.927505 
8.285593 
1 1 1 -2  -1  34 o 62.51843 3.063867  867.2850       79.54156 916.2563       
107.0938 807.0319       118.7909 64.75697 3.939116 60.27990 4.693877 4.477077 
6.127733 
1 1 1 -2  -1  35 o 55.41732 3.816096  706.5310       84.07868 705.5432       
103.9523 708.3996       142.9773 56.18003 4.407304 54.65460 6.231053 1.525436 
7.632192 
1 1 1 -2  -1  36 o 33.12246 6.023981  310.8764       84.98208 260.8584       
118.1174 364.5525       122.3605 29.88930 8.817447 36.35562 8.210116 -6.466320 
12.04796 
1 1 1 -2  0   1  o 179.7101 1.763997  6657.317       125.9806 6411.526       
153.6215 7162.072       220.1454 174.7462 2.093945 184.6740 2.839389 -9.927795 
3.527993 
1 1 1 -2  0   2  o 494.3951 3.974509  51612.80       807.6241 50282.75       
1271.274 52512.83       1045.771 488.9468 6.192965 499.8434 4.983378 -10.89661 
7.949017 
1 1 1 -2  0   3  o 160.5774 2.379676  5415.468       160.4140 5518.823       
227.8465 5313.884       225.8854 162.0970 3.348024 159.0578 3.382627 3.039139 
4.759351 
1 1 1 -2  0   4  o 87.44868 1.428330  1607.205       52.36614 1571.077       
75.58090 1640.559       72.62153 86.50206 2.081166 88.39531 1.956849 -1.893250 
2.856660 
1 1 1 -2  0   5  o 431.7904 5.509919  39247.06       975.1047 39312.30       
1558.472 39205.09       1250.006 431.9412 8.594001 431.6396 6.897823 0.3016052 
11.01984 
1 1 1 -2  0   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  0   7  o 206.3311 2.846607  8954.673       244.5208 9027.611       
326.1149 8861.008       369.5536 207.3034 3.747015 205.3589 4.286325 1.944473 
5.693215 
1 1 1 -2  0   8  o 281.2238 2.890244  16671.45       337.7704 16207.74       
511.8534 17029.13       449.5476 277.7298 4.389794 284.7177 3.760817 -6.987915 
5.780488 
1 1 1 -2  0   9  o 228.2574 2.944142  10601.77       243.1745 10284.30       
278.1858 11630.26       500.7027 221.2903 2.994288 235.2246 5.070121 -13.93423 
5.888284 
1 1 1 -2  0   10 o 76.61571 1.614550  1232.830       51.87628 1158.806       
72.95085 1308.556       73.78453 74.28806 2.339012 78.94336 2.226234 -4.655296 
3.229101 
1 1 1 -2  0   11 o 345.0945 3.769089  25163.97       500.4420 25357.72       
599.3286 24717.78       909.4923 347.4050 4.109131 342.7840 6.319745 4.621033 
7.538178 
1 1 1 -2  0   12 o 79.97575 1.692873  1345.477       56.73203 1290.996       
81.70805 1396.190       78.83166 78.40882 2.482110 81.54269 2.302696 -3.133865 
3.385747 
1 1 1 -2  0   13 o 119.5743 1.555089  2915.951       73.80984 2751.892       
89.55222 3263.493       130.3406 114.4849 1.863156 124.6637 2.490352 -10.17883 
3.110178 
1 1 1 -2  0   14 o 209.4739 3.401984  9208.154       298.5090 9449.042       
439.4262 9001.735       406.7731 212.0056 4.936960 206.9422 4.681923 5.063461 
6.803968 
1 1 1 -2  0   15 o 355.4214 4.058404  26625.17       604.1940 27484.88       
835.2877 25681.73       875.0146 361.4815 5.503907 349.3615 5.965700 12.12003 
8.116808 
1 1 1 -2  0   16 o 298.5437 3.293116  18776.13       410.7405 19126.64       
557.0439 18358.49       608.0516 301.6296 4.398824 295.4579 4.901917 6.171722 
6.586231 
1 1 1 -2  0   17 o 206.7014 2.859466  8990.037       241.9232 9017.565       
309.6881 8946.936       387.5101 207.1423 3.561039 206.2604 4.474950 0.8818970 
5.718931 
1 1 1 -2  0   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  0   19 o 70.00429 2.074100  1029.172       60.80434 1041.112       
89.45483 1018.918       82.89949 70.37859 3.027501 69.62998 2.835807 0.7486115 
4.148200 
1 1 1 -2  0   20 o 113.9735 2.192127  2730.724       104.3333 2723.421       
140.3909 2739.732       155.9282 113.8134 2.938100 114.1335 3.254112 
-0.3201065     4.384253 
1 1 1 -2  0   21 f 204.9496 3.493397  8718.565       240.3433 9114.494       
543.0297 8622.112       268.0248 207.4607 6.234604 202.4385 3.153573 5.022171 
6.986795 
1 1 1 -2  0   22 o 86.95821 4.538736  1596.070       165.7007 1596.070       
165.7007 0.000000       0.000000 86.95821 4.538736 ?        ?        ? ? 
1 1 1 -2  0   23 o 60.45245 2.637137  758.8166       66.43903 877.2605       
101.4309 669.8105       87.92728 64.52303 3.744350 56.38187 3.714541 8.141159 
5.274274 
1 1 1 -2  0   24 o 80.61725 2.424190  1356.120       81.03386 1445.962       
126.4714 1293.550       105.5448 82.84538 3.636178 78.38911 3.207023 4.456268 
4.848380 
1 1 1 -2  0   25 o 67.23370 2.667324  952.3770       74.61592 958.8923       
113.5379 947.4236       98.99619 67.41637 4.011404 67.05104 3.516689 0.3653336 
5.334648 
1 1 1 -2  0   26 o 168.9293 3.035150  5914.486       179.6261 6258.867       
383.8332 5817.915       203.2568 171.6705 5.325593 166.1880 2.913174 5.482437 
6.070299 
1 1 1 -2  0   27 o 137.1110 2.722408  3840.179       137.4363 4265.926       
276.1208 3699.965       158.4598 141.7455 4.639924 132.4765 2.849059 9.269073 
5.444817 
1 1 1 -2  0   28 o 65.07481 2.641486  893.6944       72.02555 954.7029       
105.9357 841.2489       98.22035 67.12865 3.758853 63.02098 3.712252 4.107674 
5.282971 
1 1 1 -2  0   29 o 79.94524 2.374249  1352.223       79.61500 1401.607       
115.6825 1307.785       109.7378 81.32302 3.388247 78.56744 3.326861 2.755577 
4.748497 
1 1 1 -2  0   30 o 81.25334 2.512884  1403.595       85.67137 1368.237       
118.6874 1442.058       123.7887 80.19478 3.525167 82.31191 3.582115 -2.117134 
5.025769 
1 1 1 -2  0   31 o 15.77192 4.697841  12.02301       53.16356 27.33659       
77.43703 -1.629974      73.11797 16.72471 6.871886 14.81913 6.407497 1.905581 
9.395681 
1 1 1 -2  0   32 o 91.07587 2.525192  1777.982       96.44527 1759.487       
132.9651 1798.515       140.1030 90.61707 3.495014 91.53466 3.645717 
-0.9175873     5.050384 
1 1 1 -2  0   33 o 55.21388 3.021208  663.9308       70.03107 655.8073       
98.72402 672.1588       99.35677 54.86780 4.285745 55.55996 4.259480 
-0.6921577     6.042415 
1 1 1 -2  0   34 o 86.87816 2.783971  1628.018       100.4227 1536.768       
131.1695 1757.251       156.1001 84.14394 3.713052 89.61238 4.149122 -5.468445 
5.567941 
1 1 1 -2  0   35 o 21.48106 6.231746  85.22655       90.20657 117.5286       
131.0426 56.13401       124.3621 22.92527 9.115066 20.03686 8.500247 2.888403 
12.46349 
1 1 1 -2  0   36 o 24.25826 6.254298  163.3434       83.56760 196.6239       
120.1852 132.1924       116.2765 26.03847 9.011346 22.47805 8.675288 3.560425 
12.50860 
1 1 1 -2  1   1  o 171.4968 1.844898  6167.819       132.3913 6273.808       
196.1166 6079.078       179.4507 172.8465 2.702558 170.1471 2.512126 2.699310 
3.689796 
1 1 1 -2  1   2  o 144.4830 2.177131  4384.360       131.9214 4387.282       
182.4261 4381.156       190.9991 144.5351 3.006316 144.4310 3.149867 0.1041870 
4.354262 
1 1 1 -2  1   3  o 219.4189 2.002703  10031.58       182.0235 9652.892       
236.7729 10578.80       284.6220 214.4015 2.630421 224.4362 3.020623 -10.03471 
4.005407 
1 1 1 -2  1   4  o 543.4034 7.069322  62381.95       1605.547 61409.92       
2375.979 63198.79       2178.079 539.3632 10.49258 547.4437 9.476656 -8.080566 
14.13864 
1 1 1 -2  1   5  o 349.2357 4.608244  25618.27       667.0929 25906.62       
1031.326 25410.84       874.7225 350.8647 7.001277 347.6067 5.993813 3.257965 
9.216489 
1 1 1 -2  1   6  o 266.8879 3.376271  14831.60       366.7429 14426.70       
461.8420 15522.72       603.3905 262.0379 4.198077 271.7379 5.288948 -9.699982 
6.752542 
1 1 1 -2  1   7  o 532.4614 4.250376  59594.48       937.3677 59441.10       
1228.259 59808.38       1450.584 531.7209 5.502084 533.2020 6.479958 -1.481018 
8.500751 
1 1 1 -2  1   8  o 159.5779 1.788660  5354.810       119.6636 5094.768       
170.7156 5605.994       167.7823 155.7622 2.610552 163.3937 2.445862 -7.631546 
3.577320 
1 1 1 -2  1   9  o 281.7841 4.011350  16633.47       471.5516 17227.23       
713.1790 16172.26       628.5573 286.2135 5.935120 277.3547 5.397969 8.858765 
8.022700 
1 1 1 -2  1   10 o 271.3583 2.728852  15418.82       284.0211 15593.43       
522.8491 15345.73       338.2849 272.4023 4.571794 270.3144 2.980812 2.087952 
5.457705 
1 1 1 -2  1   11 o 368.2183 4.255610  28654.26       636.3043 27963.03       
1035.132 29074.10       806.7203 364.5392 6.763515 371.8974 5.166791 -7.358154 
8.511221 
1 1 1 -2  1   12 o 444.5027 4.141084  41290.99       705.1177 40918.20       
838.2336 42193.17       1304.005 441.2589 4.524730 447.7466 6.936940 -6.487701 
8.282168 
1 1 1 -2  1   13 o 293.3906 2.784255  18085.21       342.9472 18121.79       
483.9477 18048.31       486.0605 293.6894 3.924924 293.0917 3.950098 0.5976257 
5.568510 
1 1 1 -2  1   14 o 153.6974 2.598555  4961.638       167.6579 4869.607       
235.0386 5056.976       239.2250 152.2467 3.677160 155.1482 3.672661 -2.901520 
5.197109 
1 1 1 -2  1   15 o 481.4183 3.494347  48703.65       705.0098 48336.77       
966.9082 49120.10       1030.164 479.5044 4.803012 483.3322 5.076704 -3.827820 
6.988695 
1 1 1 -2  1   16 o 104.9023 1.945921  2307.922       85.63400 2224.944       
118.2822 2399.321       124.1395 102.9240 2.737308 106.8806 2.766510 -3.956551 
3.891842 
1 1 1 -2  1   17 o 98.91425 2.063303  2041.897       84.58666 2136.976       
131.8031 1975.314       110.2967 100.8543 3.112808 96.97424 2.709114 3.880020 
4.126605 
1 1 1 -2  1   18 o 155.7237 3.289500  4866.009       138.3568 5417.140       
414.5500 4796.922       146.7727 160.3230 6.158886 151.1244 2.313298 9.198547 
6.578999 
1 1 1 -2  1   19 o 89.69129 2.000518  1689.036       74.90534 1703.836       
112.2762 1677.165       100.5547 90.04022 2.970107 89.34236 2.680811 0.6978607 
4.001035 
1 1 1 -2  1   20 o 107.0710 2.177039  2412.507       97.77583 2331.523       
139.5751 2490.544       137.0123 105.3007 3.157170 108.8414 2.998380 -3.540726 
4.354079 
1 1 1 -2  1   21 o 309.4801 3.878147  20413.68       485.7351 19533.04       
792.0130 20944.61       614.9664 303.8067 6.209491 315.1535 4.647830 -11.34677 
7.756294 
1 1 1 -2  1   22 o 148.0362 2.790436  4608.962       173.2144 4428.989       
237.8466 4812.208       252.7569 144.9712 3.907837 151.1013 3.984336 -6.130127 
5.580871 
1 1 1 -2  1   23 o 137.3023 3.646474  3971.833       210.1986 0.000000       
0.000000 3971.833       210.1986 ?        ?        137.3023 3.646474 ? ? 
1 1 1 -2  1   24 o 60.81532 2.709192  776.8076       68.92760 809.6202       
102.6674 749.8812       93.00410 61.97327 3.945929 59.65738 3.713291 2.315899 
5.418384 
1 1 1 -2  1   25 o 100.7468 2.576814  2099.678       106.8605 2333.310       
172.1563 1953.242       136.2957 105.1937 3.898113 96.29996 3.371142 8.893715 
5.153628 
1 1 1 -2  1   26 o 140.3124 2.768526  4162.203       162.3944 4092.817       
239.9012 4220.888       220.6282 139.1916 4.105258 141.4332 3.715615 -2.241638 
5.537051 
1 1 1 -2  1   27 o 124.2110 2.631886  3261.639       137.2035 3344.280       
193.5482 3178.161       194.5256 125.8059 3.664454 122.6161 3.778767 3.189766 
5.263773 
1 1 1 -2  1   28 o 140.3847 2.829044  4149.248       165.6526 4414.824       
251.8055 3946.618       219.9491 144.2642 4.157457 136.5051 3.837904 7.759064 
5.658088 
1 1 1 -2  1   29 o 60.79893 2.860918  783.1447       71.72818 799.0667       
113.0279 772.4089       92.81168 61.24693 4.395643 60.35093 3.663023 0.8959923 
5.721837 
1 1 1 -2  1   30 o 70.50285 2.646337  1058.472       78.28687 1026.220       
111.2693 1090.088       110.1676 69.41912 3.817838 71.58659 3.665585 -2.167465 
5.292674 
1 1 1 -2  1   31 o 80.22737 2.494911  1367.608       83.88105 1289.429       
114.5381 1458.035       123.1847 77.77053 3.507972 82.68422 3.548584 -4.913689 
4.989821 
1 1 1 -2  1   32 o 68.55178 2.624409  1007.735       75.52141 1030.107       
107.7010 986.0947       105.9278 69.30399 3.701543 67.79957 3.721382 1.504425 
5.248819 
1 1 1 -2  1   33 o 105.5273 2.395836  2394.677       105.8801 2499.514       
146.9336 2281.439       152.7073 108.0332 3.239553 103.0213 3.530641 5.011826 
4.791673 
1 1 1 -2  1   34 o 60.53108 3.243745  817.1850       81.10464 894.9747       
109.2867 721.8191       121.0050 64.08411 4.061982 56.97805 5.058441 7.106064 
6.487489 
1 1 1 -2  1   35 o 29.42588 6.246166  226.5636       89.44918 325.4695       
126.7014 128.2833       126.3000 35.31544 8.611131 23.53632 9.050236 11.77913 
12.49233 
1 1 1 -2  1   36 o 20.53243 5.948350  82.18510       83.22772 40.16871       
117.5483 124.4216       117.8558 18.66105 8.097200 22.40381 8.715895 -3.742764 
11.89670 
1 1 1 -2  2   1  o 339.6931 4.188724  24203.10       592.6286 23783.74       
786.7617 24753.11       901.0159 336.3355 5.571748 343.0507 6.255978 -6.715179 
8.377448 
1 1 1 -2  2   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  2   3  o 221.5914 2.942399  10067.42       260.5249 9547.341       
318.6542 11115.90       452.4443 213.1949 3.560115 229.9880 4.685770 -16.79317 
5.884799 
1 1 1 -2  2   4  o 193.2443 2.719779  7849.208       220.5075 7703.183       
315.8988 7987.971       307.9428 191.4873 3.929425 195.0013 3.761436 -3.513947 
5.439557 
1 1 1 -2  2   5  o 198.1652 2.592574  8118.767       204.2845 8650.075       
355.8074 7857.502       249.5063 202.9050 4.176797 193.4254 3.072480 9.479584 
5.185149 
1 1 1 -2  2   6  o 440.7957 4.433268  40907.07       819.3144 41731.21       
1136.534 40015.39       1182.185 445.4489 6.077228 436.1425 6.456219 9.306396 
8.866536 
1 1 1 -2  2   7  o 167.7239 2.070249  5859.195       141.6015 6108.965       
231.6085 5710.105       178.9401 170.5468 3.234686 164.9011 2.584671 5.645645 
4.140497 
1 1 1 -2  2   8  o 259.5629 3.340836  14182.66       359.7395 14001.68       
551.1439 14317.01       474.8384 258.0942 5.086368 261.0316 4.332851 -2.937408 
6.681672 
1 1 1 -2  2   9  o 138.1122 1.847402  4008.344       106.8194 3967.426       
156.6355 4043.918       146.0503 137.4510 2.714335 138.7735 2.506783 -1.322556 
3.694804 
1 1 1 -2  2   10 o 74.55089 1.593132  1151.472       49.36043 1273.820       
76.66658 1064.849       64.50938 77.88750 2.344549 71.21428 2.157629 6.673218 
3.186264 
1 1 1 -2  2   11 o 241.6922 2.780691  12254.39       281.9301 11828.59       
389.2524 12724.25       408.8911 237.2836 3.907370 246.1008 3.957453 -8.817123 
5.561382 
1 1 1 -2  2   12 o 451.2051 4.320426  42286.75       694.3612 43836.73       
1443.524 41820.16       792.0072 456.2817 7.535501 446.1284 4.228539 10.15335 
8.640851 
1 1 1 -2  2   13 o 387.4568 5.838170  31552.29       946.0920 30756.40       
1276.646 32521.89       1409.090 382.1025 7.958139 392.8110 8.544292 -10.70847 
11.67634 
1 1 1 -2  2   14 o 257.3981 3.403611  13797.05       355.2500 13442.32       
445.0723 14419.82       589.7123 252.9236 4.191431 261.8725 5.363785 -8.948944 
6.807223 
1 1 1 -2  2   15 o 208.3108 2.388512  9119.659       208.7090 9007.875       
300.4419 9223.914       290.1456 207.0730 3.455874 209.5485 3.298013 -2.475479 
4.777024 
1 1 1 -2  2   16 o 73.81907 2.093224  1145.185       64.83943 1116.083       
92.35583 1173.470       91.05169 72.89291 3.017867 74.74523 2.901520 -1.852325 
4.186447 
1 1 1 -2  2   17 o 287.4214 7.885354  17430.26       951.5229 17430.26       
951.5229 0.000000       0.000000 287.4214 7.885354 ?        ?        ? ? 
1 1 1 -2  2   18 o 110.0867 2.008962  2546.864       91.64594 2540.935       
141.3728 2551.162       120.3617 109.9690 3.062079 110.2043 2.601421 
-0.2353210     4.017925 
1 1 1 -2  2   19 o 173.0964 2.959353  6296.974       211.6961 6338.791       
330.3593 6267.838       275.7525 173.5510 4.533990 172.6418 3.804475 0.9092255 
5.918707 
1 1 1 -2  2   20 o 73.64754 2.164586  1146.142       66.38725 1087.927       
98.94461 1193.806       89.53111 71.93003 3.276446 75.36506 2.829600 -3.435028 
4.329172 
1 1 1 -2  2   21 o 234.8353 2.262627  11619.13       222.0461 11389.11       
328.4621 11812.71       301.3304 232.6666 3.362577 237.0041 3.028365 -4.337463 
4.525254 
1 1 1 -2  2   22 f 106.8463 2.269119  2403.227       101.4501 2393.052       
149.5212 2411.907       138.1024 106.6254 3.340127 107.0671 3.072319 
-0.4416351     4.538237 
1 1 1 -2  2   23 o 63.34010 2.392226  846.8688       63.06170 828.6591       
95.13485 861.1411       84.22404 62.71735 3.613042 63.96285 3.136385 -1.245502 
4.784452 
1 1 1 -2  2   24 o 206.9003 5.129918  9321.333       397.6930 8640.084       
742.2407 9595.662       471.0079 200.7923 8.804789 213.0083 5.266872 -12.21606 
10.25984 
1 1 1 -2  2   25 f 99.04827 3.668318  2067.257       152.5432 2067.257       
152.5432 0.000000       0.000000 99.04827 3.668318 ?        ?        ? ? 
1 1 1 -2  2   26 o 173.5959 3.010408  6369.809       218.7980 6307.165       
320.7084 6424.353       299.2581 172.7544 4.421833 174.4375 4.086272 -1.683090 
6.020816 
1 1 1 -2  2   27 o 88.63892 2.555093  1681.318       93.32976 1523.800       
142.4064 1799.915       123.5661 84.89265 3.995585 92.38519 3.185796 -7.492546 
5.110186 
1 1 1 -2  2   28 o 45.83789 3.395110  448.4505       64.79340 433.2430       
97.16557 460.6276       86.94704 45.09328 5.132413 46.58250 4.445832 -1.489216 
6.790220 
1 1 1 -2  2   29 o 64.05744 2.765210  856.4697       73.64909 975.7859       
114.2685 771.6820       96.32596 67.79273 4.014806 60.32215 3.803536 7.470581 
5.530421 
1 1 1 -2  2   30 o 35.69387 4.467952  287.3247       63.93435 248.1600       
97.33436 317.0460       84.79144 33.00819 7.222112 38.37955 5.262271 -5.371357 
8.935905 
1 1 1 -2  2   31 o 80.47784 2.519569  1377.697       84.97336 1415.268       
124.6348 1345.065       116.1538 81.47429 3.643678 79.48140 3.480880 1.992889 
5.039138 
1 1 1 -2  2   32 o 85.59969 2.443664  1565.357       87.81374 1556.178       
124.6838 1574.391       123.6968 85.34028 3.479982 85.85909 3.431574 
-0.5188065     4.887328 
1 1 1 -2  2   33 o 20.81470 5.351408  83.95178       63.10143 35.70840       
90.39774 129.7983       88.12351 17.95051 7.408403 23.67890 7.724365 -5.728397 
10.70282 
1 1 1 -2  2   34 o 42.17334 4.177959  396.9506       73.49067 359.3892       
97.38920 446.6263       111.9984 39.93412 5.808818 44.41256 6.006579 -4.478447 
8.355918 
1 1 1 -2  2   35 o 21.15718 5.626262  37.10796       83.66971 205.5788       
118.4171 -130.8502      118.2368 28.07766 8.937928 14.23671 6.836134 13.84095 
11.25252 
1 1 1 -2  2   36 o 32.20833 5.953990  282.6045       84.30222 200.7379       
121.7255 358.0646       116.8656 27.01523 9.078365 37.40143 7.706053 -10.38620 
11.90798 
1 1 1 -2  2   37 o 36.00973 5.753492  359.6898       85.43048 417.6582       
119.0095 298.0613       122.7093 39.97385 7.367688 32.04560 8.838996 7.928246 
11.50698 
1 1 1 -2  3   1  o 198.1069 2.526524  8237.476       210.0413 8036.442       
291.7107 8453.913       302.6794 195.5996 3.552265 200.6142 3.593704 -5.014587 
5.053048 
1 1 1 -2  3   2  o 293.9897 3.003989  18031.56       360.9725 17615.90       
458.1269 18712.16       586.2197 289.5816 3.768216 298.3978 4.679353 -8.816193 
6.007978 
1 1 1 -2  3   3  o 500.2059 3.468486  52586.73       728.3942 52491.86       
1028.641 52682.15       1031.575 499.7536 4.902627 500.6581 4.907732 
-0.9044495     6.936972 
1 1 1 -2  3   4  o 318.7603 2.468529  21341.56       330.3416 21446.25       
469.7336 21239.13       464.6548 319.5330 3.501523 317.9875 3.480499 1.545532 
4.937057 
1 1 1 -2  3   5  o 174.5247 2.246995  6397.021       164.6266 6388.192       
231.2209 6406.096       234.4471 174.4031 3.157868 174.6462 3.197471 
-0.2431030     4.493990 
1 1 1 -2  3   6  o 207.3249 2.422599  9026.741       210.8366 8807.993       
296.1465 9251.565       300.2314 204.7777 3.444648 209.8721 3.407395 -5.094360 
4.845198 
1 1 1 -2  3   7  o 125.7444 1.635641  3312.162       85.61205 3261.437       
113.4734 3379.190       130.4393 124.6315 2.168638 126.8573 2.449142 -2.225754 
3.271282 
1 1 1 -2  3   8  o 137.2337 1.980732  3946.314       113.7596 3852.182       
154.0719 4059.141       168.6794 135.4401 2.709550 139.0272 2.889903 -3.587097 
3.961465 
1 1 1 -2  3   9  o 238.5888 2.290550  11909.61       227.7879 11588.96       
302.6409 12328.64       345.9714 234.9052 3.068711 242.2724 3.401396 -7.367203 
4.581100 
1 1 1 -2  3   10 o 165.0922 1.865092  5629.782       116.0650 5935.841       
222.2239 5514.976       136.1037 168.1145 3.148521 162.0699 2.000270 6.044601 
3.730183 
1 1 1 -2  3   11 o 224.0929 3.480996  10530.77       326.8323 10199.43       
445.5819 10916.64       480.8518 220.2921 4.817809 227.8937 5.025740 -7.601578 
6.961993 
1 1 1 -2  3   12 o 254.5087 3.524389  13588.05       373.7485 13398.60       
497.2630 13834.04       566.6237 252.4931 4.690917 256.5242 5.261231 -4.031158 
7.048777 
1 1 1 -2  3   13 o 360.9437 3.455811  27273.92       519.2590 26573.65       
686.9899 28207.13       793.0660 355.5881 4.601762 366.2993 5.156966 -10.71127 
6.911622 
1 1 1 -2  3   14 o 142.0720 2.047062  4190.358       120.4667 3960.301       
156.2558 4527.472       189.1496 137.3242 2.710256 146.8199 3.068610 -9.495682 
4.094124 
1 1 1 -2  3   15 o 375.5124 3.419862  29644.11       536.7795 29636.09       
797.3240 29650.76       725.9304 375.4403 5.058421 375.5845 4.603715 
-0.1441345     6.839723 
1 1 1 -2  3   16 o 491.4575 5.987647  50316.32       1163.410 52827.79       
2042.485 49110.13       1415.481 500.0377 9.729203 482.8773 6.982138 17.16031 
11.97529 
1 1 1 -2  3   17 o 180.6056 5.786630  6865.362       438.7690 0.000000       
0.000000 6865.362       438.7690 ?        ?        180.6056 5.786630 ? ? 
1 1 1 -2  3   18 o 211.1982 2.748497  9240.028       219.4600 9691.043       
417.5518 9067.886       257.9638 214.6432 4.633554 207.7532 2.957551 6.889999 
5.496993 
1 1 1 -2  3   19 o 210.4750 2.492933  9354.561       214.4199 9127.684       
343.1698 9499.859       274.6270 208.3356 3.923438 212.6144 3.076604 -4.278870 
4.985866 
1 1 1 -2  3   20 o 227.3853 2.373111  10870.62       226.4388 10417.09       
318.1617 11336.14       322.3449 222.5743 3.404818 232.1964 3.306635 -9.622177 
4.746222 
1 1 1 -2  3   21 o 271.1468 3.885357  15474.17       436.3640 15241.35       
570.2319 15803.17       677.8514 268.8112 5.052720 273.4823 5.903728 -4.671082 
7.770713 
1 1 1 -2  3   22 o 147.8043 2.338010  4602.850       140.2017 4577.009       
229.6771 4618.198       177.0065 147.4244 3.710816 148.1841 2.845172 
-0.7597656     4.676020 
1 1 1 -2  3   23 o 141.5949 2.212875  4197.063       129.1459 4337.048       
204.4977 4104.195       166.5639 143.5154 3.393993 139.6745 2.840435 3.840881 
4.425750 
1 1 1 -2  3   24 o 70.51897 2.241003  1046.659       66.30986 999.3900       
93.16785 1095.184       94.39685 68.90244 3.220717 72.13551 3.116947 -3.233078 
4.482006 
1 1 1 -2  3   25 f 281.7279 3.878889  16803.22       458.6552 16966.20       
642.7704 16634.16       654.6658 283.1530 5.406992 280.3029 5.563053 2.850159 
7.757778 
1 1 1 -2  3   26 o 77.48747 4.813602  1269.804       156.5960 1269.804       
156.5960 0.000000       0.000000 77.48747 4.813602 ?        ?        ? ? 
1 1 1 -2  3   27 f 162.2307 3.547512  5548.147       236.9992 5762.618       
376.6008 5407.515       304.9582 164.6572 5.447805 159.8041 4.545413 4.853088 
7.095024 
1 1 1 -2  3   28 o 230.9572 4.628770  11418.16       443.4998 11705.28       
685.1386 11211.08       581.8502 233.0713 7.001817 228.8430 6.056121 4.228241 
9.257540 
1 1 1 -2  3   29 o 42.07530 3.676065  370.0866       63.95243 475.0233       
98.07303 292.4544       84.35421 47.18678 4.950514 36.96382 5.435644 10.22297 
7.352130 
1 1 1 -2  3   30 o 61.44850 2.942389  819.7929       74.35537 695.9668       
111.1752 920.0096       100.0165 57.06008 4.640840 65.83692 3.618455 -8.776840 
5.884778 
1 1 1 -2  3   31 o 73.23793 2.683396  1124.218       81.71486 1291.092       
126.7400 1005.498       106.9008 77.78333 3.881042 68.69252 3.706745 9.090813 
5.366791 
1 1 1 -2  3   32 o 62.33331 3.015703  838.6259       78.67017 780.1273       
112.7823 894.0625       109.7908 60.13545 4.467160 64.53117 4.052448 -4.395725 
6.031405 
1 1 1 -2  3   33 o 80.70276 2.712430  1400.995       91.87910 1427.535       
131.7575 1375.873       128.1893 81.43726 3.853659 79.96825 3.818170 1.469009 
5.424860 
1 1 1 -2  3   34 o 23.22124 5.828996  106.9211       82.21747 -25.69806      
127.3904 201.5989       107.6361 17.92206 8.064836 28.52043 8.418265 -10.59837 
11.65799 
1 1 1 -2  3   35 o 54.42161 3.996714  671.7943       90.92863 659.0750       
133.9205 682.6733       123.8536 53.73774 5.935932 55.10548 5.353466 -1.367748 
7.993427 
1 1 1 -2  3   36 o 80.73642 3.230954  1453.744       109.4632 1517.225       
156.9372 1393.601       152.7560 82.49114 4.531476 78.98169 4.606732 3.509453 
6.461908 
1 1 1 -2  3   37 o 30.77314 6.084202  268.8992       82.19875 237.3376       
116.1377 300.5793       116.3558 28.68072 8.803822 32.86556 8.400166 -4.184839 
12.16840 
1 1 1 -2  4   1  o 385.1216 5.510781  31202.81       889.9420 31775.27       
1295.610 30691.45       1224.532 388.4396 7.944596 381.8036 7.639256 6.635986 
11.02156 
1 1 1 -2  4   2  o 600.7350 7.210485  75956.13       1818.555 0.000000       
0.000000 75956.13       1818.555 ?        ?        600.7350 7.210485 ? ? 
1 1 1 -2  4   3  o 365.1092 4.332732  28027.60       663.9158 27717.78       
924.8055 28357.07       953.6985 363.0347 6.067689 367.1838 6.186552 -4.149109 
8.665464 
1 1 1 -2  4   4  o 324.6175 2.743777  21525.63       326.5314 20914.24       
376.1411 23395.67       657.8334 315.5785 2.838994 333.6564 4.696102 -18.07794 
5.487555 
1 1 1 -2  4   5  o 184.3584 2.162763  7103.071       166.6865 6783.036       
223.7477 7502.195       249.8702 179.7175 2.965441 188.9992 3.149020 -9.281754 
4.325525 
1 1 1 -2  4   6  o 258.4730 3.603817  13940.00       386.3368 13417.28       
504.2882 14682.69       601.0988 252.6724 4.753813 264.2735 5.417679 -11.60115 
7.207634 
1 1 1 -2  4   7  o 201.9070 2.258904  8543.594       186.3970 8642.243       
301.0340 8482.255       237.3752 202.8384 3.534975 200.9757 2.813280 1.862778 
4.517808 
1 1 1 -2  4   8  o 222.0017 2.577774  10293.15       233.0273 10594.70       
381.5078 10113.70       294.3080 224.5629 4.046565 219.4406 3.194524 5.122238 
5.155548 
1 1 1 -2  4   9  o 135.3857 2.047054  3821.328       115.7354 4112.905       
174.9505 3594.430       154.3310 139.9429 2.977730 130.8285 2.809777 9.114395 
4.094108 
1 1 1 -2  4   10 o 109.5406 1.498793  2521.823       68.83479 2465.517       
99.30183 2573.904       95.50346 108.3617 2.182742 110.7195 2.054547 -2.357788 
2.997586 
1 1 1 -2  4   11 o 700.5004 6.091835  103446.8       1768.144 103166.8       
2727.899 103649.6       2321.937 699.4617 9.289352 701.5391 7.883511 -2.077393 
12.18367 
1 1 1 -2  4   12 o 526.4621 5.793122  58279.10       1235.396 57969.39       
1552.885 58813.05       2038.978 524.8054 7.047939 528.1188 9.196066 -3.313354 
11.58624 
1 1 1 -2  4   13 o 481.5030 6.913678  48881.59       1396.837 47665.84       
1936.345 50200.70       2016.974 475.2850 9.703975 487.7209 9.850311 -12.43585 
13.82736 
1 1 1 -2  4   14 o 273.3000 3.140532  15496.16       335.2178 15161.63       
403.4237 16242.33       602.5049 268.6507 3.576798 277.9492 5.163167 -9.298523 
6.281065 
1 1 1 -2  4   15 o 468.5370 4.513909  46157.74       846.5774 46063.52       
1049.009 46333.72       1433.624 468.0287 5.338603 469.0455 7.280166 -1.016815 
9.027818 
1 1 1 -2  4   16 o 188.6764 4.017753  7445.872       313.7837 7241.351       
408.2439 7741.125       490.5109 185.5593 5.240322 191.7935 6.091664 -6.234131 
8.035505 
1 1 1 -2  4   17 o 231.3284 2.866781  11346.57       269.0500 10852.28       
436.2643 11649.95       341.7863 227.1868 4.573911 235.4701 3.457323 -8.283356 
5.733562 
1 1 1 -2  4   18 o 213.1287 3.125907  9549.851       269.8552 9562.651       
444.6277 9542.386       339.5430 213.1912 4.967618 213.0662 3.795782 0.1250000 
6.251815 
1 1 1 -2  4   19 o 241.4735 3.840188  12314.38       387.4552 11902.46       
571.1148 12665.62       527.3831 237.6776 5.723427 245.2695 5.121578 -7.591812 
7.680376 
1 1 1 -2  4   20 o 48.03633 2.614616  478.0903       52.33119 560.8425       
79.66092 415.2676       69.40876 51.63907 3.674413 44.43359 3.720694 7.205479 
5.229232 
1 1 1 -2  4   21 o 114.3346 2.210000  2717.316       104.9438 2957.894       
163.2022 2547.711       137.0307 118.5896 3.277936 110.0796 2.965052 8.510040 
4.420000 
1 1 1 -2  4   22 o 146.2837 2.606913  4514.731       158.1145 4447.130       
242.5725 4564.671       208.4924 145.2933 3.976648 147.2741 3.371979 -1.980835 
5.213825 
1 1 1 -2  4   23 o 72.24934 2.203934  1098.916       66.83104 1077.287       
95.02653 1120.084       94.00842 71.54288 3.163731 72.95580 3.069220 -1.412926 
4.407868 
1 1 1 -2  4   24 o 231.4625 3.902992  11357.00       378.6231 10951.93       
545.2892 11734.11       526.1324 227.4036 5.711506 235.5214 5.320910 -8.117752 
7.805984 
1 1 1 -2  4   25 o 143.7611 1.866154  4346.520       112.6316 4323.005       
158.7168 4370.374       159.8597 143.3697 2.636857 144.1526 2.641421 
-0.7828827     3.732308 
1 1 1 -2  4   26 o 158.8298 3.063923  5334.067       197.7286 5293.899       
322.5014 5358.261       250.2899 158.2339 4.854597 159.4256 3.739438 -1.191772 
6.127847 
1 1 1 -2  4   27 o 92.80602 3.542462  1817.003       138.0258 0.000000       
0.000000 1817.003       138.0258 ?        ?        92.80602 3.542462 ? ? 
1 1 1 -2  4   28 o 78.72332 2.583373  1297.566       83.60219 1368.943       
134.0156 1252.093       106.9677 80.43089 3.968748 77.01575 3.308219 3.415131 
5.166747 
1 1 1 -2  4   29 o 26.74119 5.258297  156.9821       60.85351 186.0660       
93.21323 135.3793       80.33530 28.73578 7.606073 24.74659 7.262673 3.989189 
10.51659 
1 1 1 -2  4   30 o 71.76362 2.648723  1087.598       79.53760 1160.412       
118.5344 1027.962       107.2731 73.92162 3.819391 69.60561 3.670857 4.316010 
5.297447 
1 1 1 -2  4   31 o 84.87525 2.582299  1538.113       91.62151 1465.009       
133.9022 1602.470       125.6371 82.90944 3.846847 86.84106 3.445988 -3.931625 
5.164597 
1 1 1 -2  4   32 o 31.18700 4.677433  197.8974       66.57764 418.0403       
105.0120 49.93530       86.09182 43.70069 5.723633 18.67331 7.399562 25.02737 
9.354865 
1 1 1 -2  4   33 o 63.21581 3.217146  871.4917       84.83913 814.5794       
124.4337 920.9284       115.9738 61.13819 4.847819 65.29342 4.230694 -4.155228 
6.434293 
1 1 1 -2  4   34 o 106.4556 3.328814  2486.845       148.2304 2535.979       
202.5425 2430.178       217.5164 107.8045 4.475075 105.1067 4.929271 2.697800 
6.657628 
1 1 1 -2  4   35 o 36.56806 5.455600  332.5798       81.97712 270.4619       
123.2197 381.9070       109.8031 32.41859 8.820219 40.71753 6.423240 -8.298943 
10.91120 
1 1 1 -2  4   36 o 19.80302 5.834945  59.15913       80.24280 58.96737       
119.1533 59.31828       108.5477 20.04150 8.401993 19.56455 8.098941 0.4769421 
11.66989 
1 1 1 -2  4   37 o 81.51459 3.342656  1510.739       114.3201 1439.395       
159.1500 1586.794       164.3199 79.47068 4.770026 83.55850 4.684042 -4.087822 
6.685312 
1 1 1 -2  5   1  o 73.03751 1.447208  1110.584       44.18903 1003.118       
59.43559 1243.406       66.07599 69.12023 2.048153 76.95480 2.045168 -7.834564 
2.894416 
1 1 1 -2  5   2  o 398.9163 4.350566  33406.43       724.0870 32922.10       
968.0736 34021.49       1090.926 395.6799 5.827542 402.1527 6.461382 -6.472748 
8.701133 
1 1 1 -2  5   3  o 113.6138 1.623178  2712.178       77.09267 2690.321       
114.2015 2730.478       104.4950 113.1915 2.403140 114.0361 2.182601 
-0.8445969     3.246356 
1 1 1 -2  5   4  o 339.7887 4.308420  24179.48       608.0775 23605.51       
799.2001 24968.55       937.0623 335.0622 5.681345 344.5152 6.478600 -9.453033 
8.616840 
1 1 1 -2  5   5  o 370.6938 5.521732  28935.46       859.2957 28917.41       
1221.845 28953.13       1208.717 370.5729 7.853505 370.8148 7.764055 
-0.2419434     11.04346 
1 1 1 -2  5   6  o 43.37514 1.723766  396.7673       30.98000 318.2824       
43.16803 480.1193       44.48639 38.93181 2.641063 47.81847 2.215912 -8.886665 
3.447532 
1 1 1 -2  5   7  o 350.8277 4.234571  25850.51       622.4435 25385.38       
850.2733 26387.60       913.6790 347.4486 5.828933 354.2068 6.144094 -6.758209 
8.469142 
1 1 1 -2  5   8  o 274.3812 2.162248  15675.99       241.5408 15275.83       
304.4290 16355.94       396.8329 269.7102 2.688497 279.0522 3.387218 -9.342010 
4.324496 
1 1 1 -2  5   9  o 207.8107 2.265495  9060.860       196.9498 8963.586       
266.7973 9177.348       291.9585 206.5906 3.076039 209.0308 3.326839 -2.440216 
4.530991 
1 1 1 -2  5   10 o 246.1656 2.511107  12722.92       259.4121 12922.10       
373.3396 12536.99       360.7144 248.0260 3.585320 244.3052 3.516834 3.720810 
5.022215 
1 1 1 -2  5   11 o 143.7038 1.972562  4337.938       118.9754 4415.599       
167.3586 4258.587       169.1692 145.0054 2.749064 142.4023 2.829603 2.603088 
3.945125 
1 1 1 -2  5   12 o 446.9781 5.125105  42083.18       960.5406 41502.05       
1388.458 42616.59       1330.231 443.9816 7.448842 449.9746 7.041420 -5.993073 
10.25021 
1 1 1 -2  5   13 o 325.6386 3.043821  21586.97       340.7623 23504.37       
753.5056 21094.01       382.0640 334.3524 5.367883 316.9248 2.871448 17.42761 
6.087642 
1 1 1 -2  5   14 o 451.6589 6.655759  43040.96       1261.991 42988.80       
1773.719 43094.43       1795.940 451.3948 9.359426 451.9230 9.465605 
-0.5282288     13.31152 
1 1 1 -2  5   15 o 76.26859 2.138566  1223.070       67.77549 1002.586       
93.92841 1462.558       97.89247 69.08694 3.238337 83.45023 2.794106 -14.36328 
4.277132 
1 1 1 -2  5   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  5   17 o 92.77308 2.102304  1820.522       80.84086 1721.604       
122.6933 1896.411       107.4664 90.52494 3.228299 95.02122 2.693848 -4.496277 
4.204608 
1 1 1 -2  5   18 o 88.22193 2.130105  1625.008       78.07487 1703.185       
120.5527 1568.528       102.4678 90.03383 3.189278 86.41003 2.824517 3.623795 
4.260210 
1 1 1 -2  5   19 o 36.70752 3.117025  284.7185       47.70634 246.1521       
67.42070 323.3908       67.51331 34.20163 4.695344 39.21341 4.100868 -5.011776 
6.234050 
1 1 1 -2  5   20 o 179.7698 2.422063  6794.703       182.5870 6361.364       
256.0724 7242.868       260.4163 173.9324 3.506737 185.6071 3.341908 -11.67471 
4.844126 
1 1 1 -2  5   21 o 227.2042 2.622126  10896.88       242.7610 10717.44       
392.2670 11008.26       309.0545 225.6161 4.141263 228.7924 3.217470 -3.176315 
5.244252 
1 1 1 -2  5   22 o 116.0212 1.944483  2788.094       93.04896 3049.343       
148.5877 2619.547       119.3480 120.4121 2.939231 111.6302 2.546562 8.781853 
3.888966 
1 1 1 -2  5   23 o 42.29145 3.209595  394.3130       54.28114 270.7195       
79.62096 501.6384       74.19606 35.78143 5.300182 48.80148 3.621336 -13.02006 
6.419191 
1 1 1 -2  5   24 o 93.82567 2.305664  1862.403       90.37739 1705.490       
130.4325 2007.314       125.3451 89.98917 3.452363 97.66217 3.057047 -7.673004 
4.611329 
1 1 1 -2  5   25 o 114.3535 1.881289  2746.618       90.25792 2645.864       
124.8991 2856.743       130.5781 112.1621 2.652371 116.5448 2.668692 -4.382683 
3.762578 
1 1 1 -2  5   26 o 133.5015 2.629159  3758.412       146.6845 3737.748       
217.8102 3775.562       198.4283 133.1387 3.896680 133.8643 3.530694 
-0.7255249     5.258319 
1 1 1 -2  5   27 o 91.64084 2.248986  1773.484       86.33566 1668.664       
123.5482 1873.519       120.6959 88.97451 3.307439 94.30717 3.048378 -5.332657 
4.497973 
1 1 1 -2  5   28 o 85.47590 3.290705  1586.686       101.4066 1477.085       
201.1571 1624.030       117.4182 83.21205 5.757980 87.73975 3.187574 -4.527695 
6.581410 
1 1 1 -2  5   29 o 16.84599 5.373736  -57.97808      82.07149 10.38050       
96.54454 -236.0917      155.8403 17.79944 7.517126 15.89254 7.681210 1.906896 
10.74747 
1 1 1 -2  5   30 o 36.40167 4.123467  282.9287       62.67854 308.1027       
94.83910 263.4062       83.51797 37.80457 5.975362 34.99878 5.683923 2.805790 
8.246934 
1 1 1 -2  5   31 o 105.4251 2.504808  2367.146       109.7267 2321.894       
166.6729 2401.761       145.7728 104.4371 3.801291 106.4131 3.262889 -1.975990 
5.009617 
1 1 1 -2  5   32 o 56.29626 3.224596  682.3896       76.18168 656.0779       
107.0718 709.3658       108.4151 55.17802 4.622002 57.41451 4.497686 -2.236488 
6.449193 
1 1 1 -2  5   33 o 34.18994 5.103754  272.6926       71.08210 321.0763       
103.0362 228.7539       98.18937 37.30268 6.833829 31.07720 7.582348 6.225477 
10.20751 
1 1 1 -2  5   34 o 37.99775 5.149942  349.7253       79.22783 495.4775       
112.0805 204.1573       112.0097 47.17975 5.658424 28.81574 8.606384 18.36401 
10.29988 
1 1 1 -2  5   35 o 43.56434 4.562359  435.9369       83.41897 433.7742       
119.2144 438.0116       116.7681 43.40600 6.541843 43.72268 6.361192 
-0.3166771     9.124718 
1 1 1 -2  5   36 o 90.35588 3.411144  1805.473       128.7444 1585.667       
173.7780 2072.898       191.6798 84.21098 4.915267 96.50078 4.731148 -12.28979 
6.822289 
1 1 1 -2  5   37 o 28.05669 5.829554  204.6135       80.10461 324.2705       
117.2067 99.73090       109.7324 34.98795 8.127423 21.12543 8.359414 13.86253 
11.65911 
1 1 1 -2  5   38 o 17.66373 5.509650  29.16796       79.95960 43.29119       
107.3769 11.58762       119.8002 17.94518 7.762059 17.38228 7.821471 0.5628967 
11.01930 
1 1 1 -2  6   1  o 442.5176 3.856371  41203.52       714.8998 40606.95       
1041.810 41734.45       982.8098 439.4636 5.646595 445.5715 5.253795 -6.107910 
7.712742 
1 1 1 -2  6   2  o 414.5341 3.663552  36134.48       633.4981 36003.81       
950.4026 36238.95       849.8157 413.8269 5.470285 415.2412 4.874672 -1.414307 
7.327103 
1 1 1 -2  6   3  o 126.1624 1.606548  3331.991       84.54784 3256.759       
112.7599 3428.602       127.7814 124.5423 2.156547 127.7825 2.381867 -3.240189 
3.213096 
1 1 1 -2  6   4  o 313.5693 2.451408  20654.70       321.4294 20633.39       
476.2313 20672.53       435.6184 313.4121 3.619288 313.7265 3.307318 
-0.3143921     4.902816 
1 1 1 -2  6   5  o 145.6052 1.724364  4445.132       104.6967 4507.968       
158.0201 4395.965       139.7793 146.5186 2.568861 144.6918 2.301018 1.826828 
3.448728 
1 1 1 -2  6   6  o 182.6842 2.005804  6989.913       153.0241 7183.380       
229.8568 6835.915       205.0748 184.9451 2.960299 180.4233 2.707328 4.521790 
4.011608 
1 1 1 -2  6   7  o 360.8591 3.469099  27358.26       525.4309 26928.12       
732.7551 27813.51       753.8364 357.9434 4.876021 363.7749 4.935890 -5.831512 
6.938198 
1 1 1 -2  6   8  o 96.63771 1.806296  1943.038       72.25592 2065.156       
113.4253 1859.634       93.73723 99.16746 2.724344 94.10797 2.372503 5.059486 
3.612592 
1 1 1 -2  6   9  o 169.5142 2.202030  6037.821       156.6317 5923.699       
223.8059 6147.379       219.2846 167.9418 3.174195 171.0866 3.052906 -3.144714 
4.404060 
1 1 1 -2  6   10 o 228.0970 2.018555  10914.68       192.9557 10742.72       
264.1569 11111.40       282.5298 226.1752 2.781877 230.0187 2.925649 -3.843445 
4.037111 
1 1 1 -2  6   11 o 35.78763 2.376125  273.8741       35.00507 324.8198       
48.49565 218.4563       50.57936 39.32763 2.937149 32.24763 3.735912 7.080002 
4.752250 
1 1 1 -2  6   12 o 110.8572 2.080296  2581.032       96.80688 2575.755       
137.9978 2586.146       135.8390 110.7451 2.968031 110.9692 2.915701 
-0.2240677     4.160592 
1 1 1 -2  6   13 o 167.6946 2.614949  5898.801       182.9612 5985.893       
275.4028 5829.997       244.7870 168.7943 3.886258 166.5950 3.499834 2.199356 
5.229898 
1 1 1 -2  6   14 o 194.0778 2.505064  7916.693       201.4810 7886.692       
310.6049 7938.487       264.7347 193.7488 3.818479 194.4069 3.243548 
-0.6580963     5.010129 
1 1 1 -2  6   15 o 215.1887 4.042772  9718.346       340.1002 9680.525       
411.3887 9800.000       604.4888 214.6075 4.565921 215.7699 6.672958 -1.162369 
8.085544 
1 1 1 -2  6   16 o 138.5639 2.592739  4042.220       150.5134 3856.914       
216.6236 4215.179       209.2823 135.4825 3.808410 141.6453 3.519261 -6.162827 
5.185479 
1 1 1 -2  6   17 o 136.5047 2.247074  3867.996       122.7509 4066.722       
210.3015 3765.306       151.1754 139.1173 3.600661 133.8921 2.689351 5.225266 
4.494148 
1 1 1 -2  6   18 o 93.18835 1.938333  1825.447       75.77403 1783.882       
108.5660 1864.927       105.8085 92.15178 2.806152 94.22492 2.674706 -2.073143 
3.876666 
1 1 1 -2  6   19 o 310.0135 4.111867  20367.67       518.5875 19762.54       
838.3013 20742.81       660.0388 306.1132 6.522877 313.9138 5.008182 -7.800629 
8.223735 
1 1 1 -2  6   20 o 182.7150 3.128235  7019.681       235.6555 7064.468       
370.5328 6989.261       305.3733 183.1585 4.818598 182.2716 3.990554 0.8869324 
6.256469 
1 1 1 -2  6   21 o 102.4676 2.282911  2208.243       97.99487 2204.423       
143.3400 2211.596       134.2751 102.3783 3.334883 102.5570 3.118540 
-0.1787415     4.565823 
1 1 1 -2  6   22 o 114.7174 2.012518  2768.572       96.12731 2757.459       
145.4437 2777.192       128.0925 114.5000 3.025593 114.9348 2.654564 
-0.4348221     4.025037 
1 1 1 -2  6   23 o 134.2510 2.568528  3803.718       144.3034 3690.076       
210.8911 3903.771       197.8812 132.3409 3.795642 136.1611 3.461567 -3.820145 
5.137056 
1 1 1 -2  6   24 o 195.9188 2.380628  8138.508       185.9836 7901.648       
314.7874 8265.527       230.5198 193.6153 3.872566 198.2224 2.769980 -4.607071 
4.761256 
1 1 1 -2  6   25 f 91.07956 2.217397  1740.372       84.25153 1794.206       
127.3232 1698.439       112.3718 92.31674 3.285096 89.84238 2.979184 2.474365 
4.434794 
1 1 1 -2  6   26 o 94.46898 2.318549  1857.473       90.31425 1991.406       
143.8693 1770.368       116.0235 97.22399 3.524649 91.71397 3.013224 5.510017 
4.637097 
1 1 1 -2  6   27 o 165.4431 1.989452  5745.320       137.9280 5496.526       
188.1718 6034.196       202.7637 161.5904 2.773704 169.2958 2.852759 -7.705429 
3.978903 
1 1 1 -2  6   28 o 137.4372 2.492971  3985.429       143.7676 3905.499       
199.3558 4072.046       207.5265 136.0102 3.491230 138.8643 3.559624 -2.854080 
4.985941 
1 1 1 -2  6   29 o 61.69509 2.897936  781.1059       73.85446 985.5817       
117.0756 645.9532       95.18266 68.18885 4.089538 55.20134 4.107043 12.98751 
5.795871 
1 1 1 -2  6   30 o 170.9414 7.894880  6411.250       566.5936 6411.250       
566.5936 0.000000       0.000000 170.9414 7.894880 ?        ?        ? ? 
1 1 1 -2  6   31 o 26.76020 5.439620  163.3737       64.47670 149.4139       
95.15464 175.2243       87.67193 25.81941 7.977760 27.70099 7.396840 -1.881578 
10.87924 
1 1 1 -2  6   32 o 42.96930 3.990844  401.8836       71.79321 443.7208       
103.3226 362.8275       99.82936 45.18340 5.446749 40.75519 5.834403 4.428211 
7.981687 
1 1 1 -2  6   33 o 65.48640 3.311672  931.1475       89.82211 939.6442       
118.1796 919.5255       138.2160 66.01783 4.263854 64.95496 5.068357 1.062866 
6.623345 
1 1 1 -2  6   34 o 102.3728 3.005064  2250.051       127.5959 2137.047       
166.2946 2411.816       198.9637 99.47643 3.981797 105.2691 4.501881 -5.792671 
6.010128 
1 1 1 -2  6   35 o 56.18130 3.815654  704.8102       89.96671 688.1800       
127.7076 721.1949       126.7620 55.46821 5.483951 56.89440 5.306897 -1.426186 
7.631309 
1 1 1 -2  6   36 o 36.05538 5.526707  324.2707       81.46835 274.3246       
113.2541 377.8294       117.2786 32.78909 8.232215 39.32167 7.376219 -6.532581 
11.05341 
1 1 1 -2  6   37 o 59.68257 5.175254  893.5581       113.1712 823.7119       
211.6706 921.5164       133.9194 55.65453 9.059019 63.71061 5.006713 -8.056080 
10.35051 
1 1 1 -2  6   38 o 67.35324 4.664763  1091.603       118.0248 1205.860       
224.4403 1047.931       138.7598 67.38591 7.933280 67.32057 4.909495 
0.6533813E-01  9.329527 
1 1 1 -2  7   1  o 214.6507 1.811182  9666.831       162.8612 9797.001       
239.0769 9554.127       222.4608 215.9956 2.636415 213.3058 2.484117 2.689865 
3.622364 
1 1 1 -2  7   2  o 229.5546 2.517189  11004.60       226.6143 10890.92       
274.4356 11248.23       401.7693 227.7280 2.870418 231.3811 4.135900 -3.653046 
5.034378 
1 1 1 -2  7   3  f 153.9015 1.921891  4973.461       124.1456 4814.750       
174.6197 5135.670       176.5329 151.4184 2.746854 156.3846 2.688765 -4.966156 
3.843782 
1 1 1 -2  7   4  o 190.1490 1.730303  7560.792       135.4351 7436.467       
174.4098 7749.630       214.9503 188.1936 2.207431 192.1043 2.665152 -3.910782 
3.460605 
1 1 1 -2  7   5  o 120.1247 1.747300  3031.578       88.06222 2908.550       
124.6849 3154.031       124.3931 117.6909 2.523434 122.5585 2.417541 -4.867599 
3.494600 
1 1 1 -2  7   6  o 96.04755 1.591062  1930.525       64.04675 1795.302       
87.82539 2084.122       93.60192 92.46711 2.262319 99.62798 2.237817 -7.160873 
3.182123 
1 1 1 -2  7   7  o 374.7653 4.140690  29485.92       647.1204 29124.67       
863.9554 29947.61       976.7164 372.1904 5.529007 377.3401 6.165334 -5.149658 
8.281381 
1 1 1 -2  7   8  o 84.38703 1.693683  1495.412       59.97859 1438.208       
84.49657 1553.507       85.15230 82.75993 2.431868 86.01413 2.358021 -3.254196 
3.387365 
1 1 1 -2  7   9  o 110.1164 1.634080  2544.639       75.35477 2566.074       
110.7768 2526.179       102.8046 110.5467 2.386844 109.6861 2.232453 0.8606873 
3.268161 
1 1 1 -2  7   10 f 171.6328 2.339233  6154.095       167.1763 5942.810       
221.0109 6436.658       255.5860 168.2132 3.129499 175.0524 3.477684 -6.839233 
4.678467 
1 1 1 -2  7   11 o 467.3488 3.969900  45886.99       770.6008 46192.08       
1181.026 45660.81       1016.889 468.6443 6.002567 466.0532 5.197078 2.591125 
7.939800 
1 1 1 -2  7   12 o 674.0066 5.481911  95152.24       1512.940 93369.45       
1928.135 98008.50       2440.540 666.0658 6.895112 681.9474 8.524248 -15.88165 
10.96382 
1 1 1 -2  7   13 o 367.6432 3.118725  28331.03       479.4383 29181.80       
715.0938 27636.33       646.1868 372.6294 4.570955 362.6572 4.244073 9.972198 
6.237451 
1 1 1 -2  7   14 o 592.7775 6.774762  73270.98       1317.736 75595.90       
3057.970 72740.82       1460.273 597.4988 12.19038 588.0561 5.914748 9.442749 
13.54952 
1 1 1 -2  7   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  7   16 o 192.7114 2.434557  7807.084       189.7267 7783.836       
313.5106 7820.519       238.3209 192.4639 3.879933 192.9590 2.941834 
-0.4951019     4.869113 
1 1 1 -2  7   17 o 114.3745 2.115860  2743.554       101.4421 2535.433       
140.6724 2969.036       146.4220 109.8612 3.049901 118.8879 2.933524 -9.026733 
4.231720 
1 1 1 -2  7   18 f 56.01451 2.378629  659.1125       55.80434 722.3987       
79.99741 599.1268       77.88354 58.63466 3.249695 53.39435 3.474333 5.240311 
4.757258 
1 1 1 -2  7   19 o 245.6472 3.975529  12721.90       409.6381 12356.78       
586.0849 13070.63       572.7758 242.1765 5.764340 249.1179 5.476470 -6.941422 
7.951059 
1 1 1 -2  7   20 o 297.4194 3.275880  18605.76       408.7797 19092.35       
591.3286 18160.41       565.7247 301.1318 4.677279 293.7070 4.587878 7.424805 
6.551761 
1 1 1 -2  7   21 o 351.7977 3.170864  26148.51       451.2590 25770.06       
742.6655 26370.01       568.1736 349.6085 5.059788 353.9868 3.823095 -4.378326 
6.341727 
1 1 1 -2  7   22 o 42.66013 3.013774  379.9146       53.56157 453.4200       
79.71255 319.4094       72.32077 46.39339 4.092528 38.92688 4.425217 7.466511 
6.027547 
1 1 1 -2  7   23 o 138.4370 1.791033  4022.828       103.9511 3735.350       
144.0803 4334.930       150.1240 133.2835 2.574834 143.5904 2.490266 -10.30687 
3.582066 
1 1 1 -2  7   24 o 250.9957 2.887269  13272.44       302.1739 13176.78       
403.7403 13394.27       455.6257 250.0331 3.846144 251.9583 4.307256 -1.925171 
5.774537 
1 1 1 -2  7   25 o 29.59728 4.464236  189.8849       53.64856 226.2313       
81.12743 161.6383       71.51877 32.13039 6.236719 27.06417 6.389128 5.066221 
8.928472 
1 1 1 -2  7   26 o 61.90716 2.628368  801.6997       67.79185 854.4165       
103.6618 762.3058       89.61023 63.66130 3.878503 60.15302 3.548307 3.508278 
5.256736 
1 1 1 -2  7   27 o 127.2403 2.148618  3409.677       114.7708 3357.295       
162.0945 3462.338       162.5272 126.2576 3.057959 128.2229 3.019128 -1.965263 
4.297237 
1 1 1 -2  7   28 o 110.1902 2.305338  2570.208       105.6658 2490.224       
159.2903 2633.062       141.2066 108.6144 3.493195 111.7659 3.009307 -3.151520 
4.610677 
1 1 1 -2  7   29 o 65.92728 2.452004  918.5978       67.85545 919.3616       
96.91654 917.8635       95.03532 65.94994 3.500295 65.90462 3.434711 
0.4531097E-01  4.904009 
1 1 1 -2  7   30 o 93.66187 2.657797  1862.816       104.2205 1701.388       
147.2015 2025.073       147.5794 89.54728 3.915444 97.77644 3.595113 -8.229164 
5.315594 
1 1 1 -2  7   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  7   32 o 54.55292 3.469709  644.0407       79.02428 566.9000       
111.6190 721.5646       111.8959 51.17829 5.194856 57.92755 4.600977 -6.749256 
6.939418 
1 1 1 -2  7   33 o 50.80177 3.964774  560.4163       84.12647 502.0316       
112.5589 634.3052       126.6250 47.83587 5.604635 53.76766 5.609438 -5.931793 
7.929548 
1 1 1 -2  7   34 o 96.99448 3.179984  2051.905       128.9162 1950.458       
188.2743 2141.453       176.8882 94.54256 4.743345 99.44640 4.236730 -4.903839 
6.359968 
1 1 1 -2  7   35 o 48.33186 4.525578  536.4245       86.73948 386.5121       
118.6777 708.3432       127.0902 40.26549 7.287934 56.39822 5.367445 -16.13274 
9.051157 
1 1 1 -2  7   36 o 33.93367 5.876895  292.7739       83.16306 273.7022       
116.7455 312.4213       118.4947 32.68698 8.448215 35.18036 8.171857 -2.493382 
11.75379 
1 1 1 -2  7   37 o 50.71922 4.280575  586.8831       88.07718 411.6607       
116.5242 820.4282       134.5261 41.51119 6.686090 59.92726 5.346915 -18.41607 
8.561151 
1 1 1 -2  7   38 o 25.01279 5.802637  153.0591       81.15613 29.45657       
110.7078 296.6394       119.3196 17.68001 7.764030 32.34557 8.625672 -14.66556 
11.60527 
1 1 1 -2  8   1  o 322.4533 3.236035  21814.97       406.0222 21942.93       
727.5815 21757.10       489.2943 323.0741 5.364146 321.8325 3.621274 1.241608 
6.472070 
1 1 1 -2  8   2  o 315.9690 3.240104  20767.47       389.9872 20481.36       
461.2443 21484.87       730.3709 312.2604 3.518318 319.6776 5.441923 -7.417114 
6.480208 
1 1 1 -2  8   3  o 239.2264 2.479193  12034.83       248.6667 11682.37       
357.7004 12364.47       345.9306 235.8282 3.612807 242.6246 3.396059 -6.796402 
4.958386 
1 1 1 -2  8   4  o 392.5317 2.606372  32362.81       429.4885 32074.84       
602.5244 32660.28       612.3723 390.7577 3.672724 394.3057 3.699163 -3.548035 
5.212745 
1 1 1 -2  8   5  o 57.68590 1.645277  690.5197       39.57910 594.5268       
53.01982 811.3406       59.48259 53.21063 2.373345 62.16117 2.279249 -8.950539 
3.290553 
1 1 1 -2  8   6  o 74.72639 1.695001  1148.294       52.45343 1319.864       
82.93830 1033.924       67.71591 79.28130 2.491756 70.17149 2.298535 9.109810 
3.390001 
1 1 1 -2  8   7  o 107.0138 1.862262  2400.880       83.56289 2330.622       
114.7525 2480.195       121.9249 105.3503 2.594463 108.6772 2.672236 -3.326843 
3.724525 
1 1 1 -2  8   8  o 153.8073 1.570842  4950.448       100.9822 5137.097       
151.2190 4800.223       135.6647 156.4137 2.302782 151.2010 2.137141 5.212616 
3.141684 
1 1 1 -2  8   9  o 131.7579 2.107297  3640.228       116.3620 3556.531       
159.1476 3736.366       170.5665 130.1345 2.912921 133.3813 3.045930 -3.246765 
4.214594 
1 1 1 -2  8   10 o 280.3690 3.823081  16490.91       448.9115 16048.99       
610.5502 17010.96       662.3185 276.3004 5.263334 284.4376 5.546270 -8.137207 
7.646162 
1 1 1 -2  8   11 o 95.38191 1.665092  1911.722       66.58875 1880.845       
96.25498 1940.061       92.21626 94.64194 2.422483 96.12189 2.285105 -1.479950 
3.330185 
1 1 1 -2  8   12 o 400.5924 3.690792  33579.20       612.8492 32783.23       
800.8018 34704.36       952.1020 394.9326 4.829732 406.2522 5.582244 -11.31955 
7.381583 
1 1 1 -2  8   13 o 246.9369 2.260200  12242.17       194.2892 11824.74       
218.3345 13830.36       425.8721 237.3078 2.191450 256.5659 3.953678 -19.25818 
4.520401 
1 1 1 -2  8   14 o 112.9951 2.123372  2715.916       99.10941 2454.398       
149.9177 2918.941       132.0922 108.0952 3.303449 117.8951 2.668718 -9.799911 
4.246744 
1 1 1 -2  8   15 o 206.0047 5.158448  8730.201       406.9330 9446.278       
762.9744 8445.523       481.0684 211.6369 8.586966 200.3726 5.718599 11.26430 
10.31690 
1 1 1 -2  8   16 o 282.7752 3.803734  16735.12       395.3976 16993.81       
780.4080 16645.78       458.6187 284.1014 6.542886 281.4489 3.881264 2.652527 
7.607468 
1 1 1 -2  8   17 o 80.99376 1.925363  1381.477       64.43071 1357.163       
100.0041 1398.733       84.24636 80.37846 2.963461 81.60905 2.458860 -1.230598 
3.850727 
1 1 1 -2  8   18 f 244.0768 2.252151  12444.69       207.6360 12683.96       
392.9630 12352.02       244.5641 245.6450 3.810349 242.5086 2.402075 3.136383 
4.504301 
1 1 1 -2  8   19 o 366.9133 3.949847  26878.80       440.8362 30557.57       
1152.428 26248.22       477.1245 380.4216 7.215553 353.4050 3.215734 27.01663 
7.899693 
1 1 1 -2  8   20 o 43.95036 3.020025  424.1407       53.31960 305.1720       
79.31361 522.2434       72.02310 38.06334 4.963202 49.83739 3.442212 -11.77405 
6.040049 
1 1 1 -2  8   21 o 125.1451 2.492341  3285.444       128.6442 3343.324       
202.5725 3246.325       166.5365 126.0421 3.828123 124.2480 3.192574 1.794106 
4.984682 
1 1 1 -2  8   22 o 95.07872 2.234954  1881.385       88.25528 2035.505       
137.1402 1772.436       115.3043 98.35639 3.321110 91.80105 2.991705 6.555344 
4.469907 
1 1 1 -2  8   23 o 217.7239 3.327438  10039.23       300.3680 9791.626       
459.5341 10223.93       396.8874 215.2706 5.084569 220.1772 4.293546 -4.906601 
6.654877 
1 1 1 -2  8   24 o 173.1593 2.895410  6331.401       209.4624 6237.228       
310.7448 6409.821       283.5663 171.9358 4.304855 174.3828 3.873219 -2.446930 
5.790821 
1 1 1 -2  8   25 o 51.21750 2.871085  552.6298       61.12603 556.5032       
93.37682 549.7253       80.85873 51.35884 4.330569 51.07616 3.770767 0.2826729 
5.742170 
1 1 1 -2  8   26 o 148.2869 2.003991  4635.723       124.4490 4280.068       
176.6430 4986.226       175.3589 142.6143 2.950221 153.9595 2.712953 -11.34528 
4.007982 
1 1 1 -2  8   27 o 74.72916 2.485327  1185.247       77.38937 1037.306       
110.8315 1326.010       108.1095 70.12424 3.764575 79.33408 3.245825 -9.209839 
4.970654 
1 1 1 -2  8   28 o 154.8515 2.889090  5081.782       187.3634 4879.307       
271.1735 5266.739       259.1773 151.8457 4.253689 157.8573 3.910690 -6.011551 
5.778180 
1 1 1 -2  8   29 o 80.19270 2.421960  1365.440       80.27134 1319.157       
123.8385 1398.976       105.4156 78.96557 3.735415 81.41983 3.083866 -2.454262 
4.843919 
1 1 1 -2  8   30 o 42.06516 3.494776  373.1216       61.34663 427.2951       
92.81996 331.1036       81.74584 44.74381 4.941166 39.38651 4.943554 5.357300 
6.989553 
1 1 1 -2  8   31 o 123.4624 2.424395  3216.353       122.9247 3310.258       
196.5378 3156.015       157.5424 124.8118 3.750692 122.1131 3.072957 2.698738 
4.848789 
1 1 1 -2  8   32 o 45.77848 5.606929  503.2990       91.84641 420.1065       
171.9026 536.5361       108.6555 41.74759 9.937461 49.80937 5.195911 -8.061787 
11.21386 
1 1 1 -2  8   33 o 21.14377 5.844628  71.28449       76.33336 101.6645       
104.8910 37.08039       111.2970 22.63403 8.357793 19.65351 8.172272 2.980524 
11.68926 
1 1 1 -2  8   34 o 44.68105 4.402679  445.1568       82.29051 396.2808       
113.0185 500.3060       120.0525 41.99738 6.409855 47.36471 6.037226 -5.367325 
8.805359 
1 1 1 -2  8   35 o 35.84793 5.542572  312.9516       81.55054 247.5168       
113.4090 383.0152       117.3517 31.52888 8.409972 40.16698 7.221690 -8.638098 
11.08514 
1 1 1 -2  8   36 o 55.94252 3.865168  705.5265       90.63528 696.4155       
131.2899 713.8221       125.2767 55.47597 5.636994 56.40908 5.289838 
-0.9331055     7.730335 
1 1 1 -2  8   37 o 40.92494 5.228082  398.7325       86.29159 286.9668       
112.4408 558.8794       134.5950 33.30156 8.107085 48.54833 6.603523 -15.24678 
10.45616 
1 1 1 -2  8   38 o 16.57254 5.181623  -23.01164      78.60712 82.61233       
106.4969 -149.4347      116.5115 19.85733 8.092058 13.28776 6.474214 6.569576 
10.36325 
1 1 1 -2  9   1  o 144.5274 2.277818  4386.785       138.2059 4446.952       
196.3929 4327.757       194.5257 145.5092 3.214818 143.5456 3.227812 1.963638 
4.555636 
1 1 1 -2  9   2  o 55.40014 1.613837  642.8547       37.43014 714.6743       
54.30409 577.8511       51.66304 58.34108 2.217069 52.45920 2.345737 5.881874 
3.227674 
1 1 1 -2  9   3  f 110.4449 1.617109  2567.149       74.75770 2471.136       
108.7935 2653.039       102.8993 108.4825 2.388714 112.4072 2.180416 -3.924629 
3.234219 
1 1 1 -2  9   4  o 261.0183 3.051909  14342.32       327.6338 14181.03       
516.7530 14450.74       423.6754 259.7632 4.738343 262.2735 3.847688 -2.510345 
6.103818 
1 1 1 -2  9   5  o 83.90246 1.664895  1476.463       58.58531 1443.125       
80.69216 1513.625       85.19540 82.90240 2.318383 84.90251 2.390104 -2.000107 
3.329789 
1 1 1 -2  9   6  f 108.4737 1.496107  2463.643       68.03793 2616.588       
99.38875 2328.758       93.33652 111.6330 2.120634 105.3143 2.110985 6.318657 
2.992214 
1 1 1 -2  9   7  o 459.0530 4.205856  44314.30       810.5388 44029.70       
1139.291 44605.98       1153.389 457.5631 5.930682 460.5428 5.965225 -2.979706 
8.411713 
1 1 1 -2  9   8  o 332.8685 4.888198  23271.42       681.5835 22673.98       
928.3688 23969.97       1003.861 328.2643 6.736247 337.4728 7.085260 -9.208496 
9.776397 
1 1 1 -2  9   9  o 130.1475 1.751531  3465.698       92.50725 3225.513       
115.0801 3904.341       155.5187 123.9421 2.211579 136.3530 2.716682 -12.41091 
3.503062 
1 1 1 -2  9   10 o 565.2733 5.121212  67251.55       1214.791 66871.56       
1689.825 67657.93       1747.579 563.6432 7.140990 566.9034 7.342584 -3.260193 
10.24242 
1 1 1 -2  9   11 o 120.9633 1.660779  3068.532       83.98599 3114.174       
125.0598 3031.037       113.3500 121.7800 2.446035 120.1465 2.247146 1.633476 
3.321559 
1 1 1 -2  9   12 o 437.6708 2.927357  39562.57       499.8004 38445.12       
599.9861 42095.98       903.4008 427.8193 3.340426 447.5224 4.808247 -19.70303 
5.854715 
1 1 1 -2  9   13 o 292.8217 3.700074  17684.04       384.5936 18674.72       
807.1646 17393.07       437.4418 297.9047 6.453655 287.7387 3.621121 10.16605 
7.400148 
1 1 1 -2  9   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  9   15 o 323.5105 5.600111  21966.01       712.8392 22328.97       
1253.749 21792.62       866.5291 325.2498 9.181519 321.7712 6.414414 3.478516 
11.20022 
1 1 1 -2  9   16 o 419.7231 5.651130  37288.84       956.8618 36646.73       
1583.663 37658.04       1200.841 416.5938 9.054635 422.8525 6.764218 -6.258698 
11.30226 
1 1 1 -2  9   17 o 144.7019 1.953165  4404.570       109.1917 4381.766       
197.6630 4414.584       130.9928 144.4140 3.260146 144.9897 2.151945 
-0.5757294     3.906331 
1 1 1 -2  9   18 o 120.4395 1.769222  3023.842       85.70297 3126.272       
144.6607 2968.448       106.3822 121.9892 2.824558 118.8898 2.131304 3.099319 
3.538444 
1 1 1 -2  9   19 o 122.3716 2.134615  3170.320       108.5606 2952.974       
162.1833 3346.756       146.1249 118.5326 3.259038 126.2106 2.757715 -7.678024 
4.269229 
1 1 1 -2  9   20 o 92.02947 2.219604  1773.222       84.20206 1817.532       
133.0557 1743.622       108.7477 92.97301 3.408771 91.08593 2.843739 1.887085 
4.439208 
1 1 1 -2  9   21 o 186.9959 3.397904  7405.249       261.8246 7180.857       
408.3332 7561.918       341.1970 184.5016 5.271517 189.4903 4.288835 -4.988693 
6.795807 
1 1 1 -2  9   22 o 306.9141 2.896073  19259.52       301.4511 20849.62       
677.7427 18867.35       336.5776 314.2603 5.136844 299.5678 2.676154 14.69250 
5.792147 
1 1 1 -2  9   23 o 87.10696 2.203739  1546.795       78.33308 1806.013       
130.3898 1400.406       97.98627 92.62171 3.353143 81.59222 2.860471 11.02950 
4.407478 
1 1 1 -2  9   24 o 147.3762 2.144034  4560.227       128.7986 4615.284       
209.4491 4526.747       163.3310 148.0461 3.369789 146.7063 2.651802 1.339813 
4.288068 
1 1 1 -2  9   25 o 124.9890 2.219012  3285.126       111.5568 3298.431       
186.9317 3277.766       139.0278 125.1382 3.558067 124.8399 2.652586 0.2983627 
4.438024 
1 1 1 -2  9   26 o 183.1603 2.384281  7042.695       175.3519 7141.502       
295.6534 6989.078       217.7936 184.0632 3.825930 182.2573 2.846303 1.805847 
4.768562 
1 1 1 -2  9   27 o 123.1561 2.524053  3170.048       127.1171 3318.545       
206.5255 3079.479       161.2887 125.4021 3.922746 120.9101 3.177331 4.491997 
5.048106 
1 1 1 -2  9   28 o 63.36623 2.802583  865.8692       73.02473 726.3074       
108.7460 980.4882       98.55031 58.56802 4.422560 68.16444 3.443667 -9.596413 
5.605165 
1 1 1 -2  9   29 o 148.6948 2.500928  4612.734       149.6359 4884.432       
253.5586 4467.545       185.3538 151.8755 3.976598 145.5141 3.034014 6.361435 
5.001857 
1 1 1 -2  9   30 o 69.92549 2.663327  1023.031       76.74504 1103.708       
122.6008 971.0503       98.41088 72.11142 4.049583 67.73956 3.460364 4.371857 
5.326654 
1 1 1 -2  9   31 o 29.92187 4.852290  201.2569       59.41001 218.6150       
89.47188 187.5683       79.45428 31.04418 7.027426 28.79955 6.692842 2.244635 
9.704579 
1 1 1 -2  9   32 o 47.63494 3.587601  446.4206       68.46155 664.9524       
120.1725 341.4167       83.30105 55.47910 5.159372 39.79078 4.986423 15.68832 
7.175202 
1 1 1 -2  9   33 o 45.15238 4.303339  447.2334       81.18011 390.4686       
110.8506 512.8907       119.2175 42.00626 6.285573 48.29850 5.879326 -6.292233 
8.606678 
1 1 1 -2  9   34 o 79.99102 4.240542  1383.680       142.4104 1383.680       
142.4104 0.000000       0.000000 79.99102 4.240542 ?        ?        ? ? 
1 1 1 -2  9   35 o 64.03152 3.537353  904.3469       95.03963 940.2927       
134.6772 868.6888       134.1371 65.35681 4.908222 62.70624 5.095176 2.650574 
7.074706 
1 1 1 -2  9   36 o 61.29569 3.672698  840.2792       94.38121 850.3572       
130.6586 829.2830       136.4822 61.79164 5.036505 60.79974 5.346817 0.9919052 
7.345395 
1 1 1 -2  9   37 o 39.15950 5.187989  372.7973       82.71655 280.1815       
112.0191 483.8476       122.6617 32.94821 8.135936 45.37080 6.439524 -12.42258 
10.37598 
1 1 1 -2  9   38 o 42.73896 5.093693  454.8703       87.13367 328.9734       
116.7089 613.4197       130.9720 34.97191 8.101308 50.50602 6.176701 -15.53411 
10.18739 
1 1 1 -2  10  1  o 221.9189 2.120242  10329.99       195.9245 10243.63       
260.3980 10442.68       297.4402 220.8577 2.808318 222.9802 3.177273 -2.122528 
4.240485 
1 1 1 -2  10  2  o 152.3551 1.811090  4902.481       115.1555 4511.100       
167.7180 5251.542       158.3908 146.5657 2.725641 158.1445 2.385595 -11.57887 
3.622180 
1 1 1 -2  10  3  o 124.7567 1.810428  3269.913       94.76646 3323.319       
132.3899 3213.794       135.7119 125.8028 2.506603 123.7106 2.612955 2.092148 
3.620856 
1 1 1 -2  10  4  o 119.7760 1.675255  3011.202       84.19586 2873.394       
117.8778 3154.733       120.3010 116.9790 2.400189 122.5730 2.337736 -5.594040 
3.350510 
1 1 1 -2  10  5  o 155.5791 2.053757  5020.061       124.1967 5249.671       
225.0991 4919.572       148.9143 158.0923 3.391439 153.0658 2.317285 5.026550 
4.107513 
1 1 1 -2  10  6  o 158.8684 2.108207  5301.893       140.5780 5224.412       
200.1199 5377.374       197.5202 157.7212 3.022187 160.0155 2.940157 -2.294312 
4.216413 
1 1 1 -2  10  7  o 268.4890 2.670196  15020.33       289.7311 14700.81       
361.6379 15593.00       484.1393 264.5603 3.255894 272.4176 4.233077 -7.857269 
5.340392 
1 1 1 -2  10  8  o 28.14964 2.795654  166.5188       33.02299 160.1064       
46.62660 172.9726       46.77687 27.60534 4.023108 28.69394 3.882951 -1.088602 
5.591307 
1 1 1 -2  10  9  o 399.3647 3.402241  33458.90       565.3690 33060.44       
749.0255 33986.51       861.9114 396.6377 4.498043 402.0916 5.105741 -5.453857 
6.804482 
1 1 1 -2  10  10 o 131.7762 1.942246  3631.016       106.2785 3544.732       
139.5570 3750.142       163.9808 129.9241 2.558486 133.6282 2.922913 -3.704132 
3.884491 
1 1 1 -2  10  11 o 165.6200 2.009536  5726.900       138.1231 5976.471       
214.0282 5548.775       180.8162 168.6893 3.022071 162.5508 2.649533 6.138458 
4.019072 
1 1 1 -2  10  12 o 310.6924 4.270188  20332.86       555.4304 19912.72       
811.9136 20702.45       761.5020 307.6444 6.286108 313.7403 5.781250 -6.095917 
8.540376 
1 1 1 -2  10  13 o 344.1069 5.751209  24953.03       775.1879 24959.55       
1369.682 24949.96       940.2699 343.8951 9.486690 344.3188 6.504485 
-0.4236145     11.50242 
1 1 1 -2  10  14 o 52.82029 3.616617  590.4516       79.40707 555.7715       
118.9657 618.3177       106.6398 51.40535 5.512322 54.23523 4.683373 -2.829876 
7.233234 
1 1 1 -2  10  15 o 288.2663 3.598963  17596.68       410.4809 17104.84       
706.2572 17847.57       504.4272 285.1160 5.900140 291.4166 4.122924 -6.300537 
7.197927 
1 1 1 -2  10  16 o 287.3909 3.727608  17418.35       406.2585 17271.31       
758.4985 17477.50       481.0833 286.4081 6.307984 288.3738 3.973612 -1.965759 
7.455217 
1 1 1 -2  10  17 o 296.1620 3.605175  18438.51       409.0953 18491.24       
752.7405 18416.40       487.3515 296.3263 6.050569 295.9978 3.921704 0.3284912 
7.210350 
1 1 1 -2  10  18 o 214.3022 2.594343  9698.474       222.4419 9504.850       
374.8227 9803.740       276.3720 212.5980 4.199405 216.0063 3.047534 -3.408325 
5.188687 
1 1 1 -2  10  19 o 123.5827 2.008326  3224.507       102.6334 3116.541       
158.1199 3303.111       134.9169 121.7753 3.092777 125.3902 2.562854 -3.614883 
4.016651 
1 1 1 -2  10  20 o 191.8647 3.243657  7739.195       247.1495 7790.255       
425.7980 7713.252       303.5100 192.2445 5.275586 191.4848 3.775372 0.7597504 
6.487314 
1 1 1 -2  10  21 o 160.0450 2.398531  5314.475       145.0433 5557.277       
276.0166 5221.851       170.4784 162.4649 4.046659 157.6251 2.576114 4.839844 
4.797063 
1 1 1 -2  10  22 o 144.6989 2.547208  4420.883       149.3789 4357.350       
244.7758 4458.586       188.5634 143.8128 4.054078 145.5850 3.085047 -1.772247 
5.094415 
1 1 1 -2  10  23 o 31.44072 4.290843  204.4241       54.84812 276.4775       
87.49760 157.7842       70.39593 36.13616 5.767335 26.74528 6.354774 9.390884 
8.581685 
1 1 1 -2  10  24 o 64.95168 2.621922  909.7049       69.82014 727.8679       
102.7123 1065.905       95.19661 58.74455 4.164626 71.15881 3.186500 -12.41426 
5.243844 
1 1 1 -2  10  25 o 151.6831 2.973553  4803.059       182.7090 5039.648       
304.2400 4669.601       228.5025 154.4868 4.690790 148.8794 3.655759 5.607437 
5.947107 
1 1 1 -2  10  26 o 65.11752 2.691047  910.9448       71.91608 794.1068       
109.6025 999.2791       95.30011 61.34682 4.255491 68.88821 3.295107 -7.541397 
5.382094 
1 1 1 -2  10  27 o 79.18327 2.641742  1291.373       85.78493 1464.898       
140.2096 1187.550       108.4531 83.30573 4.008887 75.06082 3.441515 8.244911 
5.283484 
1 1 1 -2  10  28 o 112.6875 2.511182  2645.426       112.1427 2786.539       
196.0819 2576.833       136.7076 114.7932 4.068575 110.5817 2.944627 4.211472 
5.022363 
1 1 1 -2  10  29 o 104.3943 2.487588  2327.800       106.7882 2171.355       
165.6252 2439.108       139.7043 101.2802 3.895139 107.5084 3.095200 -6.228165 
4.975175 
1 1 1 -2  10  30 o 71.92020 2.601548  1099.104       77.52509 1073.732       
118.9143 1117.859       102.2394 71.14050 3.981423 72.69990 3.349699 -1.559402 
5.203096 
1 1 1 -2  10  31 o 58.85704 2.872009  724.7971       69.97959 811.5515       
110.5816 666.8459       90.37917 61.70201 4.268788 56.01207 3.843331 5.689938 
5.744018 
1 1 1 -2  10  32 o 69.67753 2.964628  997.1309       81.23025 1157.456       
147.0051 926.6625       97.46055 73.35506 4.773349 65.99999 3.517273 7.355072 
5.929255 
1 1 1 -2  10  33 o 21.00463 5.469090  85.43689       65.75311 5.972926       
118.0979 121.1365       79.15691 18.84428 8.145507 23.16497 7.300310 -4.320698 
10.93818 
1 1 1 -2  10  34 o 100.3263 3.095245  2181.242       130.2207 2148.368       
187.8496 2211.655       180.6795 99.51317 4.496253 101.1394 4.255099 -1.626221 
6.190490 
1 1 1 -2  10  35 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  10  36 o 102.3477 3.275865  2310.301       140.6765 2415.850       
200.2280 2207.411       197.6894 104.7401 4.553370 99.95542 4.710837 4.784653 
6.551730 
1 1 1 -2  10  37 o 34.41989 5.311431  284.5953       81.36149 123.4126       
108.1307 494.9391       123.5249 22.87329 8.477910 45.96649 6.400802 -23.09320 
10.62286 
1 1 1 -2  10  38 f 69.53538 4.737868  1195.944       124.6603 1134.181       
224.7440 1223.391       149.8202 65.88601 8.124864 73.18475 4.876081 -7.298737 
9.475736 
1 1 1 -2  11  1  o 184.2595 2.020939  7139.340       155.6005 7229.157       
210.8119 7031.849       230.6250 185.5384 2.706341 182.9805 3.002082 2.557816 
4.041878 
1 1 1 -2  11  2  o 361.5347 5.135430  27517.73       779.4089 27237.77       
1105.871 27794.05       1098.665 359.6989 7.322956 363.3705 7.201728 -3.671631 
10.27086 
1 1 1 -2  11  3  o 76.85916 1.654247  1238.223       53.30215 1279.268       
77.94217 1202.162       73.05610 78.05322 2.378498 75.66512 2.299756 2.388100 
3.308494 
1 1 1 -2  11  4  o 439.8093 3.700511  40572.07       680.5627 39685.51       
917.8453 41654.73       1014.287 434.5090 5.031434 445.1096 5.427689 -10.60065 
7.401022 
1 1 1 -2  11  5  f 373.9120 3.945575  29469.16       615.1314 28750.13       
919.4735 30051.71       827.6140 369.7339 5.923399 378.0901 5.213790 -8.356262 
7.891151 
1 1 1 -2  11  6  o 305.0283 4.252345  19429.95       535.1412 18850.65       
690.5310 20301.00       846.7458 299.4254 5.493077 310.6313 6.492754 -11.20593 
8.504690 
1 1 1 -2  11  7  o 85.44556 1.735839  1531.306       62.15725 1504.963       
85.06454 1561.486       91.04736 84.65868 2.393306 86.23244 2.514883 -1.573769 
3.471678 
1 1 1 -2  11  8  o 228.9521 2.019625  10997.29       193.9744 10743.75       
267.9157 11276.62       281.2093 226.1828 2.821367 231.7215 2.890576 -5.538712 
4.039250 
1 1 1 -2  11  9  o 880.7954 9.564490  160255.5       2975.573 156768.7       
3374.695 172436.6       6307.486 862.1243 9.323646 899.4665 16.70292 -37.34222 
19.12898 
1 1 1 -2  11  10 o 396.2191 4.680537  32861.73       758.1307 32289.47       
963.7031 33790.96       1228.031 391.8221 5.858352 400.6161 7.301330 -8.794006 
9.361073 
1 1 1 -2  11  11 o 223.3773 2.267713  10442.96       211.6868 10113.22       
284.1166 10854.42       317.3782 219.4329 3.084012 227.3218 3.325502 -7.888901 
4.535426 
1 1 1 -2  11  12 o 273.9277 4.291127  15745.66       455.3786 15890.57       
823.0960 15681.74       546.6633 274.7190 7.136460 273.1363 4.767180 1.582703 
8.582253 
1 1 1 -2  11  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  11  14 o 207.2314 3.671680  9016.524       305.0419 9079.251       
515.2812 8982.682       378.4899 207.7313 5.908311 206.7316 4.360824 0.9997559 
7.343359 
1 1 1 -2  11  15 o 516.8573 7.008167  56625.81       1395.244 56081.89       
2533.959 56862.46       1671.436 514.3455 11.73453 519.3690 7.665400 -5.023499 
14.01633 
1 1 1 -2  11  16 o 144.4475 2.484796  4364.070       140.3321 4439.761       
249.9436 4329.227       169.5842 145.3321 4.096392 143.5629 2.813613 1.769287 
4.969592 
1 1 1 -2  11  17 o 109.0973 2.465388  2511.635       112.3879 2256.016       
160.2323 2759.174       157.6795 103.6037 3.683800 114.5909 3.277526 -10.98724 
4.930777 
1 1 1 -2  11  18 o 194.9826 3.327868  8032.067       264.6981 7861.209       
425.9367 8139.570       337.8602 193.2294 5.250405 196.7358 4.090485 -3.506363 
6.655736 
1 1 1 -2  11  19 o 130.9771 2.466756  3604.120       133.4002 3621.627       
208.7134 3592.029       173.4547 131.2273 3.788324 130.7268 3.160402 0.5004730 
4.933512 
1 1 1 -2  11  20 o 291.9724 4.075304  18129.32       471.0804 17557.89       
808.3807 18423.16       579.6811 288.2009 6.681002 295.7439 4.668684 -7.542938 
8.150607 
1 1 1 -2  11  21 o 53.17346 2.734483  598.0004       59.99971 579.5584       
93.14953 611.0773       78.43896 52.45467 4.229778 53.89225 3.466782 -1.437572 
5.468967 
1 1 1 -2  11  22 o 185.3606 3.424628  7209.415       253.3225 7386.173       
433.8230 7117.961       312.0490 186.9241 5.528003 183.7971 4.043945 3.127045 
6.849256 
1 1 1 -2  11  23 o 224.2411 2.591647  10459.44       209.6732 10855.29       
427.8115 10334.30       240.5441 226.7988 4.492962 221.6833 2.584537 5.115433 
5.183294 
1 1 1 -2  11  24 o 139.0748 2.557797  4023.320       138.8695 4214.193       
249.6966 3937.844       167.0953 141.3449 4.207784 136.8047 2.909272 4.540253 
5.115594 
1 1 1 -2  11  25 o 29.80762 4.730631  211.4568       59.44284 106.4273       
95.54678 277.7782       75.92538 23.36007 8.039529 36.25517 4.988133 -12.89510 
9.461263 
1 1 1 -2  11  26 o 61.52938 2.764100  798.2738       70.26324 798.0194       
109.5613 798.4517       91.57468 61.49687 4.243511 61.56189 3.543109 
-0.6502533E-01 5.528201 
1 1 1 -2  11  27 o 141.6983 2.602876  4269.027       148.0284 4116.232       
246.5705 4355.130       185.0961 139.5968 4.207138 143.7997 3.065917 -4.202942 
5.205752 
1 1 1 -2  11  28 f 70.56014 2.620027  1057.970       76.12382 1017.337       
118.6812 1086.372       99.22359 69.35650 4.075829 71.76379 3.293295 -2.407288 
5.240055 
1 1 1 -2  11  29 o 27.75496 4.916643  179.0744       63.51078 65.19299       
99.84984 256.4541       82.30653 20.86474 8.041966 34.64517 5.658648 -13.78043 
9.833286 
1 1 1 -2  11  30 o 59.00756 2.740352  732.1003       67.59868 815.5790       
101.2474 664.9586       90.80136 62.01486 3.888742 56.00026 3.862099 6.014599 
5.480704 
1 1 1 -2  11  31 o 143.2110 2.451440  4324.667       142.6786 4447.178       
234.5371 4252.690       179.7694 144.6372 3.862359 141.7847 3.020004 2.852448 
4.902881 
1 1 1 -2  11  32 f 83.28265 2.735146  1412.791       90.00195 1677.746       
162.0305 1294.564       108.2351 88.49422 4.361168 78.07108 3.302167 10.42315 
5.470292 
1 1 1 -2  11  33 o 30.32732 5.576920  211.0254       67.43494 229.0060       
123.3168 203.3547       80.54482 30.92738 8.973111 29.72726 6.625059 1.200121 
11.15384 
1 1 1 -2  11  34 o 47.56048 3.924718  465.0299       73.05544 596.2442       
135.4623 411.2139       86.75277 51.66241 6.245466 43.45855 4.754767 8.203861 
7.849436 
1 1 1 -2  11  35 o 46.59347 3.869451  455.8736       72.71536 583.7109       
125.9755 391.9987       89.04762 51.01564 5.881711 42.17130 5.029519 8.844341 
7.738901 
1 1 1 -2  11  36 o 16.86862 7.641427  -30.01585      116.2678 0.000000       
0.000000 -30.01585      116.2678 ?        ?        16.86862 7.641427 ? ? 
1 1 1 -2  11  37 o 27.03139 5.629743  163.3810       81.54298 16.20907       
111.5460 332.2993       119.5032 17.94463 7.837326 36.11816 8.084079 -18.17352 
11.25949 
1 1 1 -2  11  38 o 33.77157 5.989895  303.9406       86.16376 219.3378       
114.4956 414.4250       130.8418 27.99998 8.771187 39.54315 8.159758 -11.54317 
11.97979 
1 1 1 -2  11  39 o 21.04937 6.053661  103.0017       83.86679 73.01389       
113.0033 139.7729       125.1332 19.40452 8.160782 22.69422 8.943650 -3.289707 
12.10732 
1 1 1 -2  12  1  o 231.0285 2.628086  11173.90       254.4443 10549.32       
347.4100 11896.61       373.7043 224.0898 3.692676 237.9672 3.740520 -13.87740 
5.256172 
1 1 1 -2  12  2  o 311.5751 3.283850  20398.75       383.1898 20393.68       
449.7384 20412.19       731.9823 311.5883 3.437952 311.5618 5.595997 
0.2658081E-01  6.567701 
1 1 1 -2  12  3  o 234.2795 2.657182  10807.58       184.0343 10532.03       
197.8595 12575.11       501.1265 223.9643 2.104259 244.5947 4.880017 -20.63045 
5.314365 
1 1 1 -2  12  4  o 101.8883 1.669955  2177.945       71.39094 2075.094       
99.46628 2287.223       102.5274 99.40923 2.383254 104.3673 2.339894 -4.958099 
3.339911 
1 1 1 -2  12  5  o 345.5810 4.117965  24947.91       562.1425 24625.96       
685.0041 25611.87       983.7227 342.2957 4.766645 348.8663 6.716372 -6.570648 
8.235930 
1 1 1 -2  12  6  o 530.2808 4.430262  58655.27       895.5081 57974.30       
1060.228 60350.44       1672.788 525.1907 4.808428 535.3707 7.442305 -10.17999 
8.860523 
1 1 1 -2  12  7  o 335.7337 3.077420  23659.17       432.0032 23396.01       
583.6196 23978.11       642.5063 333.6857 4.165943 337.7816 4.530671 -4.095886 
6.154840 
1 1 1 -2  12  8  o 524.8193 4.740272  57918.98       1043.456 56987.68       
1439.697 58949.55       1514.482 520.4008 6.589528 529.2378 6.816072 -8.836975 
9.480544 
1 1 1 -2  12  9  o 176.0146 1.859965  6475.351       137.0029 6144.080       
184.9262 6878.381       203.9740 171.0496 2.575119 180.9796 2.684517 -9.930008 
3.719929 
1 1 1 -2  12  10 o 152.5226 1.898059  4801.341       118.4332 4534.711       
149.5923 5249.154       193.8665 146.9522 2.424679 158.0929 2.920864 -11.14073 
3.796118 
1 1 1 -2  12  11 o 294.5323 4.028534  18188.87       459.1347 18392.06       
832.0427 18099.91       550.5439 295.6012 6.704410 293.4634 4.468473 2.137787 
8.057069 
1 1 1 -2  12  12 o 281.4198 7.065944  16880.03       823.6204 15660.77       
1244.848 17829.29       1098.400 272.1353 10.89564 290.7043 8.999743 -18.56903 
14.13189 
1 1 1 -2  12  13 o 424.3439 5.137828  37360.25       781.2897 39028.00       
1612.587 36848.69       893.1125 430.0669 8.931168 418.6208 5.081669 11.44608 
10.27566 
1 1 1 -2  12  14 o 221.8242 3.522325  10321.54       301.7392 10412.45       
548.4551 10282.08       361.3393 222.4479 5.872646 221.2004 3.890903 1.247543 
7.044650 
1 1 1 -2  12  15 o 70.61017 2.333097  1031.813       66.64735 1105.027       
111.8394 991.4962       82.99341 72.51630 3.673503 68.70403 2.877282 3.812271 
4.666195 
1 1 1 -2  12  16 o 177.7113 2.432818  6649.337       171.5847 6596.141       
294.9779 6676.542       210.9442 177.1430 3.966309 178.2796 2.818299 -1.136566 
4.865636 
1 1 1 -2  12  17 o 75.95039 2.161736  1197.894       67.12858 1272.801       
109.4715 1152.753       84.98117 77.82394 3.350494 74.07683 2.732508 3.747116 
4.323472 
1 1 1 -2  12  18 o 23.43771 4.513254  123.2553       47.10390 76.25108       
73.54482 155.9481       61.33514 20.17722 7.042818 26.69820 5.645935 -6.520973 
9.026508 
1 1 1 -2  12  19 o 313.3350 4.521935  20689.53       555.9902 20832.72       
980.4713 20621.66       675.0128 313.8180 7.441802 312.8521 5.139182 0.9659119 
9.043871 
1 1 1 -2  12  20 o 121.6722 2.643995  3094.986       129.5296 3185.052       
217.8358 3045.723       161.1051 122.9937 4.218593 120.3507 3.188466 2.642990 
5.287990 
1 1 1 -2  12  21 o 128.6858 2.414964  3502.719       128.6071 3370.107       
197.3405 3600.621       169.5600 126.5297 3.714880 130.8418 3.086725 -4.312073 
4.829927 
1 1 1 -2  12  22 o 189.2445 2.814609  7498.377       211.4798 7694.030       
366.2003 7400.477       259.0418 190.9715 4.567423 187.5176 3.290401 3.453827 
5.629218 
1 1 1 -2  12  23 o 157.7156 2.944587  5139.846       177.0192 5499.268       
333.6267 4999.011       208.8407 161.3290 4.925715 154.1021 3.227955 7.226913 
5.889174 
1 1 1 -2  12  24 o 148.9442 2.821593  4679.236       168.1474 4669.885       
284.5602 4684.253       208.4274 148.7321 4.557123 149.1564 3.328389 
-0.4243469     5.643185 
1 1 1 -2  12  25 f 69.89748 2.531230  989.6617       72.28521 1202.188       
120.3169 869.6227       90.42355 75.52917 3.794312 64.26580 3.351373 11.26337 
5.062460 
1 1 1 -2  12  26 o 101.1495 2.411239  2127.520       99.90135 2277.706       
162.3150 2035.933       126.7536 103.9536 3.719121 98.34536 3.069924 5.608192 
4.822478 
1 1 1 -2  12  27 o 159.9561 2.900051  5392.005       184.7912 5441.174       
316.4424 5366.562       227.6373 160.3559 4.700355 159.5563 3.398211 0.7996063 
5.800101 
1 1 1 -2  12  28 o 67.90962 2.495866  981.2217       70.28700 918.7253       
106.0934 1030.109       93.83353 65.93262 3.832736 69.88661 3.198049 -3.953987 
4.991732 
1 1 1 -2  12  29 o 102.9346 2.478219  2244.183       105.9219 2207.643       
161.5152 2271.756       140.3063 102.1430 3.766395 103.7261 3.221884 -1.583122 
4.956437 
1 1 1 -2  12  30 o 222.4099 3.776541  10627.50       325.6551 10477.11       
582.9395 10695.73       392.6354 220.4270 6.299119 224.3927 4.167752 -3.965683 
7.553082 
1 1 1 -2  12  31 o 31.97178 4.769710  249.2226       62.45414 134.7773       
98.48792 326.1961       80.77083 24.92977 8.165981 39.01378 4.931256 -14.08402 
9.539420 
1 1 1 -2  12  32 o 29.79540 5.042680  215.2917       64.67284 125.1695       
105.2448 269.9697       81.97670 24.31285 8.430872 35.27795 5.534879 -10.96510 
10.08536 
1 1 1 -2  12  33 f 49.46005 3.441977  517.1129       69.60270 586.1025       
114.6864 476.8860       87.57463 51.87747 5.265677 47.04263 4.434124 4.834846 
6.883954 
1 1 1 -2  12  34 o 51.42139 3.709064  543.0684       75.25226 692.5669       
137.1865 478.7239       90.00126 55.88707 5.846839 46.95571 4.565426 8.931358 
7.418129 
1 1 1 -2  12  35 o 21.90630 5.614799  104.6948       68.14060 34.41844       
123.4892 135.4595       81.70530 19.88056 8.453468 23.93203 7.392072 -4.051472 
11.22960 
1 1 1 -2  12  36 o 56.76163 3.677315  702.0668       80.14538 762.4339       
148.6738 677.3385       95.15495 57.78545 6.128257 55.73782 4.066329 2.047638 
7.354629 
1 1 1 -2  12  37 o 19.73212 6.062691  32.57578       93.96487 -34.04508      
158.6916 68.54465       116.6037 19.06151 8.728897 20.40273 8.416130 -1.341213 
12.12538 
1 1 1 -2  12  38 o 21.91684 6.104866  113.5981       82.32961 114.5244       
110.1905 112.4275       123.8696 21.82171 8.440387 22.01197 8.822551 
-0.1902580     12.20973 
1 1 1 -2  12  39 o 20.63026 5.828273  96.72048       78.06924 145.1746       
111.8607 50.70649       109.0077 22.94751 8.599419 18.31302 7.869249 4.634481 
11.65655 
1 1 1 -2  13  1  o 335.8068 3.808553  23659.52       507.3270 23873.71       
876.7094 23551.69       622.0593 336.8531 6.199207 334.7604 4.426074 2.092682 
7.617105 
1 1 1 -2  13  2  o 253.5919 3.089520  13588.89       325.8902 12905.77       
488.3442 14137.37       437.5799 247.7925 4.694170 259.3912 4.018123 -11.59866 
6.179041 
1 1 1 -2  13  3  o 433.7648 4.589188  39666.76       792.5179 39357.55       
1353.553 39828.05       977.6137 432.3073 7.457680 435.2222 5.350289 -2.914886 
9.178376 
1 1 1 -2  13  4  o 241.7120 3.245569  12293.69       327.9779 12114.43       
484.6856 12445.10       445.4553 240.0704 4.808864 243.3535 4.360011 -3.283081 
6.491138 
1 1 1 -2  13  5  o 230.4418 3.288232  11055.38       310.6961 10690.41       
395.6896 11642.20       501.7378 225.5564 4.178500 235.3272 5.078387 -9.770721 
6.576464 
1 1 1 -2  13  6  o 546.4363 4.529811  62861.82       1037.521 63461.36       
1431.061 62197.49       1506.388 549.2239 6.206258 543.6486 6.599934 5.575256 
9.059623 
1 1 1 -2  13  7  o 597.6299 6.756536  75315.59       1693.745 74120.78       
2338.923 76632.99       2455.999 592.7009 9.399426 602.5589 9.708446 -9.858032 
13.51307 
1 1 1 -2  13  8  o 172.7122 2.577583  6264.384       186.6767 6222.349       
257.3470 6311.066       271.1989 172.1040 3.561632 173.3205 3.726997 -1.216446 
5.155166 
1 1 1 -2  13  9  o 66.99759 1.850266  942.9515       52.00398 897.3303       
73.34930 989.0624       73.74174 65.36704 2.672749 68.62814 2.559365 -3.261093 
3.700532 
1 1 1 -2  13  10 o 254.1672 3.516716  13529.73       373.1932 13116.77       
498.9107 14054.31       562.3084 249.7972 4.757253 258.5372 5.180511 -8.739960 
7.033431 
1 1 1 -2  13  11 o 536.3794 7.843910  60472.84       1636.614 61904.31       
2944.584 59832.96       1968.711 540.1780 12.98399 532.5808 8.804758 7.597229 
15.68782 
1 1 1 -2  13  12 o 468.7488 19.00781  47223.99       3740.686 47223.99       
3740.686 0.000000       0.000000 468.7488 19.00781 ?        ?        ? ? 
1 1 1 -2  13  13 o 285.4979 3.720476  17262.05       409.0420 16843.80       
740.9062 17445.42       490.5822 282.8809 6.238508 288.1150 4.055711 -5.234100 
7.440952 
1 1 1 -2  13  14 o 199.5781 3.073375  8357.223       238.0294 8415.701       
428.7336 8331.166       286.1885 200.0273 5.105278 199.1289 3.423253 0.8983612 
6.146749 
1 1 1 -2  13  15 o 144.9520 2.684600  4422.507       160.0671 4382.956       
252.5199 4449.072       206.9568 144.3915 4.165577 145.5125 3.387666 -1.120987 
5.369200 
1 1 1 -2  13  16 o 120.4952 2.354500  3061.291       116.1993 3003.625       
185.1084 3098.792       149.2748 119.5411 3.688331 121.4492 2.927608 -1.908058 
4.708999 
1 1 1 -2  13  17 o 75.61551 2.042002  1207.105       64.34655 1147.544       
95.63783 1256.367       86.97702 73.89830 3.082594 77.33272 2.678936 -3.434418 
4.084003 
1 1 1 -2  13  18 o 191.4402 3.333783  7609.080       248.9145 8001.055       
448.7941 7434.933       299.1411 194.8557 5.485991 188.0246 3.789505 6.831085 
6.667567 
1 1 1 -2  13  19 o 92.58401 2.488735  1814.047       95.33013 1731.952       
146.0715 1874.956       125.8185 90.73170 3.834667 94.43633 3.173411 -3.704636 
4.977470 
1 1 1 -2  13  20 o 89.02696 2.322974  1626.737       83.75014 1816.584       
141.3111 1523.948       103.9794 92.91517 3.622520 85.13875 2.908984 7.776421 
4.645948 
1 1 1 -2  13  21 o 270.5199 4.031146  15366.22       416.5127 15720.88       
773.8180 15221.55       494.2123 272.3162 6.768406 268.7236 4.380551 3.592560 
8.062292 
1 1 1 -2  13  22 o 71.67780 2.226340  1101.376       65.67358 946.2654       
98.61489 1224.992       88.03579 67.03689 3.503884 76.31871 2.747574 -9.281822 
4.452681 
1 1 1 -2  13  23 o 187.6351 2.985134  7424.783       223.9461 7432.669       
379.8350 7420.581       277.2625 187.5723 4.823333 187.6979 3.518461 
-0.1256104     5.970269 
1 1 1 -2  13  24 o 163.9226 2.563044  5672.848       171.5278 5607.655       
276.1253 5713.812       218.8815 163.0851 4.032859 164.7601 3.164304 -1.674973 
5.126087 
1 1 1 -2  13  25 o 66.63506 2.699387  945.0110       73.43912 894.3677       
116.7859 978.1359       94.45077 65.11038 4.272296 68.15974 3.300644 -3.049355 
5.398775 
1 1 1 -2  13  26 o 69.28510 2.636571  1034.332       73.88402 920.4011       
118.0388 1107.722       94.73778 66.03436 4.257708 72.53584 3.110940 -6.501480 
5.273141 
1 1 1 -2  13  27 o 129.2897 2.582779  3494.956       136.3343 3660.809       
222.4772 3395.221       172.5232 131.6541 4.025057 126.9254 3.237578 4.728760 
5.165558 
1 1 1 -2  13  28 f 121.3067 2.667383  3122.004       130.7170 3065.181       
215.5398 3155.062       164.4009 120.3157 4.267035 122.2977 3.201895 -1.981979 
5.334765 
1 1 1 -2  13  29 o 38.22929 4.278361  321.1681       65.22302 301.0153       
102.4630 334.8969       84.56969 36.81119 6.885076 39.64740 5.080672 -2.836208 
8.556723 
1 1 1 -2  13  30 o 149.4922 2.439899  4709.090       143.8624 4792.970       
251.8018 4668.441       175.2882 150.2666 3.991328 148.7178 2.807441 1.548767 
4.879798 
1 1 1 -2  13  31 o 46.47601 3.885369  497.9469       70.01398 356.5324       
112.5232 587.2834       89.43542 40.43779 6.627895 52.51422 4.056521 -12.07643 
7.770737 
1 1 1 -2  13  32 o 74.82559 2.621624  1215.101       78.41182 1117.143       
129.8203 1271.364       98.38592 72.22013 4.281592 77.43105 3.026487 -5.210922 
5.243248 
1 1 1 -2  13  33 f 84.03374 2.329425  1492.881       80.66277 1563.564       
128.1235 1446.470       103.8206 85.56303 3.566677 82.50443 2.997281 3.058601 
4.658850 
1 1 1 -2  13  34 o 62.32622 3.016432  800.2964       76.67243 1016.418       
128.5318 680.9077       95.53072 68.45810 4.472051 56.19434 4.049222 12.26376 
6.032863 
1 1 1 -2  13  35 o 89.77678 2.623758  1696.017       92.10441 1855.266       
166.3451 1625.610       110.6068 92.33939 4.290856 87.21417 3.020756 5.125221 
5.247515 
1 1 1 -2  13  36 o 19.22975 5.627066  36.87312       69.06960 101.8302       
125.5343 8.671631       82.71515 22.63682 8.946255 15.82268 6.827885 6.814137 
11.25413 
1 1 1 -2  13  37 o 82.74390 2.830794  1440.635       93.67638 1702.717       
163.9985 1313.715       114.1269 87.68393 4.454930 77.80388 3.493878 9.880051 
5.661589 
1 1 1 -2  13  38 o 36.25221 5.684603  338.0451       83.92222 270.8969       
109.7737 432.4906       130.1884 31.75196 8.184947 40.75246 7.890847 -9.000502 
11.36921 
1 1 1 -2  13  39 o 21.45122 8.469711  116.9775       112.4186 116.9775       
112.4186 0.000000       0.000000 21.45122 8.469711 ?        ?        ? ? 
1 1 1 -2  14  1  o 440.4252 5.405737  40879.61       998.3811 40709.74       
1445.756 41034.46       1380.361 439.5088 7.835174 441.3416 7.449701 -1.832855 
10.81147 
1 1 1 -2  14  2  o 195.9641 2.577700  8062.091       206.0634 8043.134       
261.9388 8092.875       333.7846 195.6813 3.188392 196.2468 4.051209 
-0.5655823     5.155399 
1 1 1 -2  14  3  f 489.6591 4.456299  49935.79       820.6331 49299.91       
962.7650 51625.21       1569.276 484.2798 4.735273 495.0384 7.550603 -10.75854 
8.912599 
1 1 1 -2  14  4  o 286.4365 3.082913  17016.48       339.4189 16690.68       
403.5193 17804.66       627.6158 281.8753 3.409796 290.9977 5.137188 -9.122406 
6.165826 
1 1 1 -2  14  5  f 555.1495 6.614709  64807.60       1496.322 64080.25       
1894.950 66012.26       2438.696 551.3743 8.186011 558.9248 10.39263 -7.550476 
13.22942 
1 1 1 -2  14  6  o 162.2719 1.649526  5509.171       112.0680 5272.854       
151.8191 5792.110       166.1209 158.4634 2.282015 166.0803 2.382469 -7.616943 
3.299053 
1 1 1 -2  14  7  o 365.3310 3.309601  28078.80       493.5156 27952.82       
796.5235 28157.30       628.7399 364.6070 5.203489 366.0550 4.091153 -1.448029 
6.619202 
1 1 1 -2  14  8  o 335.5675 4.078436  23533.43       553.9413 23121.07       
693.4955 24260.26       920.7183 331.6215 4.981063 339.5135 6.459380 -7.892029 
8.156873 
1 1 1 -2  14  9  f 144.2823 2.022441  4355.043       121.1700 4485.610       
186.8479 4260.283       159.1790 146.1362 3.045449 142.4284 2.662012 3.707809 
4.044882 
1 1 1 -2  14  10 o 107.0003 2.023396  2422.848       89.27682 2301.982       
138.1325 2509.556       116.9965 104.6853 3.142905 109.3154 2.549251 -4.630112 
4.046793 
1 1 1 -2  14  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  14  12 o 327.3241 4.453696  22261.13       560.0227 23283.28       
1036.212 21839.38       665.6041 332.3805 7.425647 322.2678 4.919491 10.11273 
8.907392 
1 1 1 -2  14  13 o 265.7321 4.099315  14835.78       426.3169 14933.57       
755.8066 14790.14       516.2866 266.2486 6.761523 265.2157 4.636739 1.032867 
8.198630 
1 1 1 -2  14  14 o 255.7206 4.369234  13753.28       450.6747 13837.19       
750.6918 13706.00       563.5261 256.2161 6.978728 255.2250 5.259105 0.9911041 
8.738468 
1 1 1 -2  14  15 o 52.60984 2.705462  581.6420       58.95155 582.8345       
91.20107 580.7863       77.26221 52.65025 4.125918 52.56944 3.500700 
0.8081055E-01  5.410924 
1 1 1 -2  14  16 o 303.2176 3.545118  19179.30       401.2469 19728.62       
775.6212 18978.56       468.8614 305.9738 6.037910 300.4614 3.716866 5.512390 
7.090236 
1 1 1 -2  14  17 o 228.9055 3.441736  11065.20       321.0094 10887.21       
518.8152 11175.61       408.6172 227.3278 5.436022 230.4832 4.222780 -3.155426 
6.883473 
1 1 1 -2  14  18 o 70.28848 2.227772  1048.529       63.53502 998.5071       
102.8659 1079.382       80.78671 68.90652 3.555758 71.67046 2.684855 -2.763939 
4.455543 
1 1 1 -2  14  19 o 177.2263 3.224662  6559.848       223.5538 6772.138       
399.0915 6462.779       269.8665 179.1884 5.304978 175.2641 3.667558 3.924286 
6.449324 
1 1 1 -2  14  20 o 150.2887 2.313277  4728.943       138.6915 4823.256       
237.5009 4680.139       170.8485 151.3719 3.737155 149.2055 2.727391 2.166382 
4.626553 
1 1 1 -2  14  21 o 241.0433 4.379560  12357.17       422.7884 12129.42       
710.6083 12481.96       526.0197 238.9892 7.082280 243.0974 5.153981 -4.108185 
8.759121 
1 1 1 -2  14  22 o 203.9471 2.590555  8785.213       205.7424 8700.245       
366.5957 8824.279       248.5821 203.0901 4.299519 204.8041 2.891029 -1.714020 
5.181110 
1 1 1 -2  14  23 o 189.0141 3.366364  7594.054       260.5524 7322.290       
413.1724 7773.481       335.7218 186.0514 5.289559 191.9767 4.165354 -5.925385 
6.732727 
1 1 1 -2  14  24 o 152.9432 2.286242  4883.980       133.7914 5021.748       
248.2535 4827.588       158.8312 154.3642 3.830627 151.5222 2.496781 2.841934 
4.572485 
1 1 1 -2  14  25 o 137.0851 2.796443  3948.707       157.9452 4030.961       
249.6933 3893.841       203.9282 138.2163 4.302974 135.9538 3.572784 2.262451 
5.592886 
1 1 1 -2  14  26 o 74.85164 2.655779  1178.895       82.30142 1196.311       
127.8741 1166.579       107.5342 75.29586 4.045130 74.40742 3.442322 0.8884430 
5.311559 
1 1 1 -2  14  27 o 62.67476 2.860604  848.2206       73.25613 734.2121       
112.7936 931.3947       96.34062 58.89685 4.561560 66.45266 3.453171 -7.555809 
5.721208 
1 1 1 -2  14  28 o 153.3847 2.149968  4978.786       133.9803 4891.748       
218.0143 5031.606       169.8363 152.2126 3.411580 154.5568 2.617360 -2.344223 
4.299936 
1 1 1 -2  14  29 o 79.59238 2.411786  1328.766       79.41570 1397.909       
124.6507 1281.525       103.0334 81.28145 3.652787 77.90330 3.150237 3.378151 
4.823572 
1 1 1 -2  14  30 o 62.59554 2.906032  845.3408       74.87288 754.1489       
113.9465 914.6315       99.32541 59.49095 4.562167 65.70012 3.600935 -6.209167 
5.812065 
1 1 1 -2  14  31 o 42.97747 3.960321  413.1774       67.77020 345.2654       
109.4146 455.4483       86.32221 39.78889 6.549895 46.16605 4.453700 -6.377151 
7.920642 
1 1 1 -2  14  32 o 22.87413 4.850026  110.2776       63.78882 -58.61465      
106.4714 204.8436       79.67014 15.76074 7.190406 29.98752 6.510688 -14.22678 
9.700051 
1 1 1 -2  14  33 o 66.02889 2.915565  941.3406       78.36230 917.7772       
126.4403 956.0358       99.85088 65.15868 4.622045 66.89911 3.555106 -1.740433 
5.831131 
1 1 1 -2  14  34 o 55.35255 3.334094  632.1348       75.11249 820.7850       
126.7387 529.9985       93.25470 61.29123 4.925291 49.41387 4.495137 11.87736 
6.668189 
1 1 1 -2  14  35 o 21.32354 5.642975  89.15655       65.72035 111.4220       
110.5475 76.98584       81.73190 22.92233 8.556935 19.72474 7.358771 3.197590 
11.28595 
1 1 1 -2  14  36 o 27.98979 5.943071  188.8671       71.05948 224.6131       
128.8590 173.2466       85.18208 29.38622 9.320552 26.59336 7.376157 2.792866 
11.88614 
1 1 1 -2  14  37 o 45.65826 4.222226  428.7510       76.30993 672.9148       
138.4294 322.1640       91.46181 53.87062 6.120647 37.44591 5.817770 16.42471 
8.444452 
1 1 1 -2  14  38 o 27.74574 5.918274  216.5254       74.37827 176.4976       
135.1820 233.9040       89.07285 25.23458 9.454038 30.25690 7.122151 -5.022327 
11.83655 
1 1 1 -2  14  39 o 22.17293 6.222076  129.3018       86.16869 135.0622       
112.7281 121.2053       133.6469 22.38581 8.566493 21.96005 9.026192 0.4257622 
12.44415 
1 1 1 -2  15  1  o 376.0689 3.986271  29482.94       513.0876 29285.69       
576.5539 30233.85       1124.911 373.3251 3.678525 378.8127 7.073180 -5.487579 
7.972542 
1 1 1 -2  15  2  o 206.6564 2.460996  9013.734       211.2458 8671.226       
319.7269 9279.087       281.4195 203.1422 3.748868 210.1707 3.189358 -7.028458 
4.921993 
1 1 1 -2  15  3  o 375.4744 4.773836  29584.97       736.9890 29190.51       
947.6398 30188.72       1172.386 372.4323 6.060621 378.5164 7.377460 -6.084198 
9.547672 
1 1 1 -2  15  4  o 87.96558 1.840590  1616.304       67.65314 1711.574       
101.7536 1540.823       90.57162 90.27496 2.684749 85.65618 2.518573 4.618782 
3.681180 
1 1 1 -2  15  5  f 214.8979 2.251709  9751.009       199.8319 9995.332       
261.9208 9410.702       309.1170 218.1498 2.859804 211.6460 3.478836 6.503830 
4.503418 
1 1 1 -2  15  6  o 344.4850 3.324810  24995.02       472.2613 25202.72       
614.0416 24694.25       738.9187 346.2895 4.223568 342.6804 5.136041 3.609131 
6.649620 
1 1 1 -2  15  7  o 277.0117 3.578283  16053.97       408.6520 15715.75       
527.4315 16561.96       646.3857 273.4219 4.594664 280.6015 5.486847 -7.179535 
7.156566 
1 1 1 -2  15  8  o 182.8639 1.975052  7022.449       151.6194 6908.931       
213.2518 7138.494       215.6121 181.3694 2.800592 184.3585 2.785679 -2.989105 
3.950104 
1 1 1 -2  15  9  o 255.0186 3.923951  13700.56       384.9992 13633.46       
701.9814 13729.44       460.4232 254.4606 6.570920 255.5766 4.290987 -1.115997 
7.847901 
1 1 1 -2  15  10 o 280.2701 3.916600  16606.68       369.1285 16391.62       
820.9321 16661.18       413.2620 278.9389 7.010018 281.6014 3.495519 -2.662445 
7.833199 
1 1 1 -2  15  11 o 33.30160 5.289512  239.7655       71.99670 283.3806       
108.3640 205.2980       96.33215 36.00436 7.422519 30.59883 7.538033 5.405533 
10.57902 
1 1 1 -2  15  12 o 288.1921 4.407969  17484.49       490.4947 17503.63       
889.9614 17476.14       587.8329 288.1265 7.357141 288.2578 4.857289 
-0.1312561     8.815939 
1 1 1 -2  15  13 o 450.5156 4.812851  42872.86       814.2317 42568.04       
1544.890 42990.09       958.1053 448.9938 8.195553 452.0373 5.048473 -3.043488 
9.625703 
1 1 1 -2  15  14 o 76.78091 2.055901  1240.514       64.23755 1230.437       
104.3925 1246.655       81.49320 76.52182 3.249413 77.04001 2.519568 
-0.5181885     4.111801 
1 1 1 -2  15  15 o 281.6268 3.645076  16612.83       387.2547 16887.82       
733.7791 16506.66       455.9170 283.0609 6.174568 280.1928 3.875697 2.868011 
7.290152 
1 1 1 -2  15  16 o 154.6996 2.449174  5069.117       151.1246 4907.309       
255.4894 5156.201       187.4303 152.7501 3.983937 156.6490 2.849924 -3.898865 
4.898349 
1 1 1 -2  15  17 f 184.3094 2.285093  7158.052       168.6734 7084.692       
284.3333 7197.886       209.5225 183.5386 3.689956 185.0801 2.696447 -1.541489 
4.570187 
1 1 1 -2  15  18 o 92.39314 2.204609  1711.774       80.70950 2044.185       
144.6933 1561.634       97.24302 98.58494 3.495898 86.20133 2.686987 12.38361 
4.409218 
1 1 1 -2  15  19 o 64.65749 2.483300  878.0447       65.71925 886.5853       
105.6457 872.6534       83.93694 64.89721 3.877456 64.41776 3.103620 0.4794540 
4.966601 
1 1 1 -2  15  20 o 154.8681 2.306463  4965.667       135.6026 5235.256       
256.5240 4861.120       159.7466 157.6648 3.875381 152.0714 2.502103 5.593384 
4.612927 
1 1 1 -2  15  21 f 197.3217 3.593593  8240.529       285.0071 8174.981       
476.7234 8276.988       355.5428 196.5252 5.777890 198.1182 4.274533 -1.592987 
7.187186 
1 1 1 -2  15  22 o 114.9125 2.100351  2751.971       95.93747 2860.790       
166.2649 2697.656       117.4649 116.5567 3.397694 113.2684 2.470134 3.288376 
4.200701 
1 1 1 -2  15  23 o 131.4267 2.435565  3567.834       126.7150 3845.177       
223.2227 3435.972       153.9183 135.0581 3.936757 127.7954 2.868773 7.262779 
4.871131 
1 1 1 -2  15  24 f 63.22075 2.645352  826.6408       69.35813 941.8633       
108.9475 748.1194       89.93791 66.84750 3.881980 59.59400 3.594689 7.253498 
5.290705 
1 1 1 -2  15  25 o 66.73300 2.420068  928.2150       66.76430 992.2313       
105.3808 885.2899       86.29227 68.61907 3.657950 64.84693 3.169593 3.772141 
4.840137 
1 1 1 -2  15  26 o 70.51401 2.694813  1074.059       77.55556 917.4827       
119.2159 1188.945       102.1186 65.90325 4.308721 75.12477 3.237745 -9.221519 
5.389626 
1 1 1 -2  15  27 o 153.0444 3.180289  4840.643       190.6366 5287.523       
343.7066 4642.081       229.1074 157.8082 5.187754 148.2806 3.680238 9.527603 
6.360577 
1 1 1 -2  15  28 o 39.50292 4.481758  362.9240       67.71346 251.4787       
105.7935 440.2626       88.13058 33.46203 7.687691 45.54381 4.609124 -12.08178 
8.963516 
1 1 1 -2  15  29 o 26.53242 5.428166  152.8660       62.97390 180.9233       
99.76812 134.2842       81.19190 28.38480 8.018692 24.68005 7.318505 3.704756 
10.85633 
1 1 1 -2  15  30 o 103.2766 2.292457  2268.933       97.85079 2183.596       
150.7722 2331.034       128.6173 101.5122 3.537724 105.0410 2.916496 -3.528801 
4.584915 
1 1 1 -2  15  31 o 114.0785 2.365610  2714.642       106.3625 2894.257       
188.4303 2630.652       128.8530 116.6089 3.848932 111.5482 2.751395 5.060669 
4.731221 
1 1 1 -2  15  32 o 40.71386 3.838567  361.7392       62.19349 354.2079       
105.5726 365.7420       76.96683 40.16265 6.261092 41.26508 4.442649 -1.102432 
7.677135 
1 1 1 -2  15  33 f 16.51648 4.751212  -9.671205      63.12151 -177.9340      
104.6634 86.51309       79.13210 12.48509 6.092630 20.54787 7.292181 -8.062789 
9.502423 
1 1 1 -2  15  34 o 72.91537 2.810376  1142.102       83.79591 1165.311       
135.1755 1127.617       106.7903 73.30141 4.392450 72.52935 3.507026 0.7720566 
5.620752 
1 1 1 -2  15  35 o 61.54239 3.001132  793.3052       75.28381 955.0299       
126.0545 703.6366       93.86209 66.07484 4.544053 57.00994 3.921576 9.064892 
6.002264 
1 1 1 -2  15  36 o 16.51966 5.240868  -39.61710      69.17509 51.67950       
127.7988 -77.45022      82.26887 20.49026 8.650883 12.54906 5.918531 7.941205 
10.48174 
1 1 1 -2  15  37 o 26.45359 5.595778  179.7287       64.81714 164.0451       
118.9330 186.3550       77.30650 25.32248 8.944597 27.58470 6.726450 -2.262226 
11.19156 
1 1 1 -2  15  38 o 13.94469 4.654545  -70.99668      67.37267 -36.40356      
112.7682 -90.19805      84.01518 15.81127 7.288887 12.07810 5.790620 3.733168 
9.309090 
1 1 1 -2  15  39 o 17.57702 5.284292  47.66058       67.27644 -12.04398      
127.0333 70.93353       79.31211 17.03183 7.803775 18.12222 7.127137 -1.090391 
10.56858 
1 1 1 -2  16  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  16  2  o 231.8842 3.098688  11371.44       297.7442 11753.15       
394.5317 10866.40       453.8120 236.4643 3.974088 227.3041 4.755429 9.160126 
6.197377 
1 1 1 -2  16  3  o 315.3860 4.387939  20911.56       577.9886 20625.27       
776.2952 21267.68       865.8105 313.0136 5.907241 317.7583 6.490034 -4.744690 
8.775878 
1 1 1 -2  16  4  o 285.0103 2.744035  17020.97       325.5714 16693.32       
431.2982 17454.99       496.3877 281.8512 3.644842 288.1694 4.102931 -6.318146 
5.488071 
1 1 1 -2  16  5  o 222.1632 1.779850  10021.04       148.4551 9623.153       
172.9189 11136.39       289.5141 214.0779 1.923941 230.2485 2.994981 -16.17055 
3.559699 
1 1 1 -2  16  6  o 389.1809 4.154203  32091.28       660.8660 32851.59       
848.7885 30920.81       1053.137 395.1986 5.115700 383.1631 6.546695 12.03552 
8.308406 
1 1 1 -2  16  7  o 223.7025 2.516684  10484.77       233.6579 10319.31       
306.8929 10712.95       360.4040 221.6244 3.298302 225.7806 3.802105 -4.156174 
5.033368 
1 1 1 -2  16  8  o 144.0584 1.977261  4331.057       117.9086 4199.181       
153.3185 4521.955       184.4638 141.3981 2.582688 146.7186 2.994656 -5.320480 
3.954521 
1 1 1 -2  16  9  f 165.6444 2.986270  5792.063       202.0573 5662.425       
323.9209 5874.638       258.5191 164.0923 4.701884 167.1966 3.682868 -3.104370 
5.972539 
1 1 1 -2  16  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  16  11 o 317.2344 3.794647  21157.73       481.8821 21251.17       
816.0776 21107.72       597.0922 317.6507 6.119314 316.8181 4.489030 0.8326111 
7.589294 
1 1 1 -2  16  12 o 211.0320 2.937706  9257.448       224.9157 9575.465       
454.9317 9154.571       258.7506 213.3187 5.079703 208.7452 2.952473 4.573502 
5.875413 
1 1 1 -2  16  13 o 189.0588 2.775018  7523.617       207.4936 7488.675       
359.5010 7541.071       254.0873 188.6795 4.538334 189.4381 3.194750 
-0.7585754     5.550036 
1 1 1 -2  16  14 o 157.2089 2.329276  5213.741       148.3931 5119.048       
243.0108 5270.045       187.3873 156.0410 3.709437 158.3767 2.818188 -2.335709 
4.658552 
1 1 1 -2  16  15 o 230.0200 4.067428  11199.29       382.9874 10934.04       
610.0756 11371.81       492.0196 227.6543 6.383058 232.3857 5.043060 -4.731369 
8.134856 
1 1 1 -2  16  16 o 160.5643 2.853370  5395.771       182.1587 5512.241       
314.2308 5336.820       223.5536 161.8055 4.625691 159.3232 3.342133 2.482239 
5.706739 
1 1 1 -2  16  17 o 90.92798 2.321909  1749.806       87.23300 1671.250       
134.2916 1807.150       114.7358 89.13596 3.588535 92.72001 2.947452 -3.584053 
4.643819 
1 1 1 -2  16  18 o 254.1531 3.284072  13562.85       320.2581 13735.69       
589.1169 13490.34       381.5645 255.0980 5.500669 253.2083 3.589311 1.889725 
6.568144 
1 1 1 -2  16  19 f 258.7613 3.527347  14147.24       348.1199 14084.65       
644.1034 14173.07       413.7576 258.0741 5.944732 259.4485 3.798533 -1.374420 
7.054693 
1 1 1 -2  16  20 o 32.10369 4.309182  229.2899       55.34831 189.7266       
86.07487 257.1810       72.27089 29.30675 7.067420 34.90063 4.932320 -5.593884 
8.618364 
1 1 1 -2  16  21 o 261.1825 4.494914  14484.85       466.1372 14436.80       
800.7366 14509.49       573.2897 260.4008 7.324339 261.9641 5.212587 -1.563354 
8.989828 
1 1 1 -2  16  22 o 39.42629 3.293173  329.0040       53.53676 324.1661       
83.67893 332.3566       69.65930 39.15759 5.090041 39.69499 4.179886 
-0.5373993     6.586347 
1 1 1 -2  16  23 o 264.8751 3.462146  14843.75       352.1374 14769.89       
643.8170 14875.28       420.6316 264.0586 5.807420 265.6916 3.770901 -1.633057 
6.924292 
1 1 1 -2  16  24 o 105.7838 2.550508  2372.090       111.2185 2276.417       
172.7360 2439.838       145.3571 103.9118 3.959489 107.6559 3.216026 -3.744087 
5.101017 
1 1 1 -2  16  25 o 91.59114 1.986121  1759.769       75.09945 1794.743       
117.9590 1735.931       97.38673 92.33501 3.042886 90.84727 2.553342 1.487732 
3.972242 
1 1 1 -2  16  26 o 189.5231 3.395643  7623.425       256.9612 7541.867       
435.5958 7666.953       318.2296 188.4920 5.504423 190.5543 3.977800 -2.062256 
6.791286 
1 1 1 -2  16  27 o 58.98104 2.990728  733.4271       72.20235 748.8204       
116.3205 723.7788       92.09094 59.43106 4.661910 58.53102 3.747588 0.9000435 
5.981456 
1 1 1 -2  16  28 o 174.8159 2.652142  6516.387       191.2649 6166.309       
294.9976 6770.279       251.2237 170.5943 4.118841 179.0376 3.342240 -8.443298 
5.304283 
1 1 1 -2  16  29 o 38.17237 4.073740  328.1739       60.73568 268.7656       
95.39636 368.6693       78.76099 34.71260 6.787948 41.63214 4.506127 -6.919544 
8.147479 
1 1 1 -2  16  30 o 142.7317 2.575803  4177.065       131.4574 4601.954       
275.2926 4051.563       149.6178 146.9011 4.463654 138.5622 2.571932 8.338882 
5.151606 
1 1 1 -2  16  31 f 67.34795 2.724523  958.0333       74.94153 1000.879       
122.0430 932.0981       94.95158 68.44159 4.247308 66.25430 3.413573 2.187286 
5.449046 
1 1 1 -2  16  32 o 17.08196 5.079186  15.60738       62.72500 -39.83635      
103.9294 47.37422       78.66816 16.12035 7.267572 18.04358 7.097529 -1.923222 
10.15837 
1 1 1 -2  16  33 o 83.06451 2.657495  1473.188       88.97925 1498.470       
148.6190 1459.063       111.0897 83.38294 4.245395 82.74607 3.197771 0.6368713 
5.314990 
1 1 1 -2  16  34 o 83.73940 2.728296  1440.621       91.22797 1739.615       
160.9340 1299.052       110.7390 89.59725 4.278330 77.88155 3.386782 11.71570 
5.456592 
1 1 1 -2  16  35 o 16.39376 5.065511  1.538197       65.36328 -34.01948      
108.2321 21.95188       82.00684 16.27440 7.372422 16.51312 6.948740 
-0.2387142     10.13102 
1 1 1 -2  16  36 o 34.24200 5.096648  253.9686       71.43239 429.2553       
121.5000 161.3758       88.30604 42.90049 6.745825 25.58351 7.641800 17.31698 
10.19330 
1 1 1 -2  16  37 o 30.08863 5.561660  216.7420       66.27718 276.7688       
122.8897 192.1205       78.70472 32.21591 8.827702 27.96135 6.767566 4.254564 
11.12332 
1 1 1 -2  16  38 o 21.90737 5.579567  123.3551       73.10963 -0.2594741     
134.8343 174.8323       87.01068 18.08389 8.207547 25.73085 7.560585 -7.646963 
11.15913 
1 1 1 -2  17  1  o 107.9162 2.366596  2458.859       106.7281 2274.375       
154.4904 2627.292       147.6167 104.0185 3.537628 111.8139 3.144567 -7.795403 
4.733193 
1 1 1 -2  17  2  o 248.1671 3.608354  12898.32       359.2373 13180.85       
608.0672 12746.84       445.2461 250.1489 5.789940 246.1852 4.307837 3.963638 
7.216707 
1 1 1 -2  17  3  o 181.4241 3.542353  6917.890       269.8149 6917.890       
269.8149 0.000000       0.000000 181.4241 3.542353 ?        ?        ? ? 
1 1 1 -2  17  4  o 144.4536 2.277116  4343.949       133.0631 4237.227       
166.1850 4534.595       222.1138 142.0222 2.787127 146.8850 3.601798 -4.862778 
4.554232 
1 1 1 -2  17  5  o 339.7352 3.233006  24053.70       454.4407 23042.76       
588.9447 25541.34       714.4335 331.0400 4.237553 348.4305 4.883899 -17.39053 
6.466013 
1 1 1 -2  17  6  o 220.4063 2.307671  10156.10       211.8306 10599.74       
323.4263 9822.837       280.3232 224.5889 3.430111 216.2238 3.087995 8.365005 
4.615341 
1 1 1 -2  17  7  o 346.6967 2.892627  25302.11       419.2089 24919.21       
619.9718 25624.64       569.0038 344.2506 4.289615 349.1428 3.881800 -4.892120 
5.785254 
1 1 1 -2  17  8  o 201.4556 2.618754  8289.566       159.9252 8882.246       
414.2365 8185.753       173.3665 205.4799 4.801756 197.4313 2.091559 8.048569 
5.237507 
1 1 1 -2  17  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  17  10 o 149.1171 2.370369  4631.192       135.1164 4773.683       
251.3271 4573.267       160.2438 150.6824 3.972811 147.5518 2.586770 3.130524 
4.740739 
1 1 1 -2  17  11 o 51.23631 2.666158  559.9736       55.50289 517.8317       
88.78348 587.0088       71.11147 49.62017 4.261819 52.85244 3.204761 -3.232265 
5.332316 
1 1 1 -2  17  12 o 178.0625 2.407134  6656.852       162.8596 6681.701       
304.0517 6646.854       192.8583 178.2467 4.063002 177.8783 2.582477 0.3684387 
4.814267 
1 1 1 -2  17  13 o 146.3314 2.424238  4484.210       142.0282 4557.798       
241.1675 4445.136       175.7357 147.2166 3.901961 145.4462 2.877919 1.770401 
4.848476 
1 1 1 -2  17  14 o 354.8601 5.375440  26495.89       737.1592 26991.60       
1340.467 26280.99       882.6006 356.7104 8.950791 353.0098 5.955230 3.700562 
10.75088 
1 1 1 -2  17  15 o 194.2330 2.644249  7882.027       195.1354 8061.425       
366.0004 7810.779       230.6519 195.6841 4.454993 192.7820 2.849783 2.902145 
5.288499 
1 1 1 -2  17  16 o 64.15640 2.277498  844.3568       59.69262 954.9963       
98.63046 780.4077       74.98487 67.38255 3.486460 60.93026 2.931310 6.452297 
4.554995 
1 1 1 -2  17  17 o 315.9846 4.538442  21154.04       576.0690 20991.87       
964.7736 21243.90       718.1430 314.6928 7.302299 317.2763 5.391311 -2.583435 
9.076883 
1 1 1 -2  17  18 o 54.77544 2.479936  641.0511       55.88342 575.2294       
85.45742 690.2275       73.86588 52.26518 3.894560 57.28571 3.071275 -5.020523 
4.959872 
1 1 1 -2  17  19 o 160.5075 2.427428  5391.702       157.4763 5538.011       
262.3899 5309.334       196.8751 162.1417 3.854549 158.8733 2.951624 3.268372 
4.854856 
1 1 1 -2  17  20 f 91.55510 2.166170  1708.721       77.63805 1915.460       
140.9506 1618.676       93.02139 95.37051 3.520254 87.73969 2.525270 7.630821 
4.332340 
1 1 1 -2  17  21 o 46.03880 3.296557  467.5167       60.86362 355.1857       
93.39590 550.4346       80.24211 40.96874 5.429955 51.10887 3.739617 -10.14013 
6.593114 
1 1 1 -2  17  22 o 103.7130 2.247115  2298.442       95.64447 2080.461       
147.8135 2455.442       125.4456 99.38448 3.542555 108.0416 2.765576 -8.657127 
4.494231 
1 1 1 -2  17  23 o 49.35504 2.908307  514.7621       59.03099 508.2578       
93.07325 519.1395       76.35282 49.07039 4.517794 49.63968 3.663677 
-0.5692902     5.816613 
1 1 1 -2  17  24 o 225.6679 3.418074  10705.39       305.4664 10932.50       
530.9305 10593.02       373.4704 227.2026 5.566029 224.1332 3.968909 3.069458 
6.836147 
1 1 1 -2  17  25 o 141.1271 2.302704  4206.898       130.1550 4157.304       
219.2507 4233.886       161.7366 140.4082 3.719371 141.8461 2.715890 -1.437820 
4.605408 
1 1 1 -2  17  26 o 215.3370 3.460422  9798.640       301.9691 9942.263       
498.2941 9715.283       379.6155 216.3143 5.486832 214.3598 4.218147 1.954514 
6.920844 
1 1 1 -2  17  27 o 150.2951 2.745402  4745.000       159.4706 4859.814       
290.3239 4695.392       190.8377 151.3742 4.568273 149.2160 3.046279 2.158173 
5.490804 
1 1 1 -2  17  28 o 178.0804 3.566883  6767.825       259.8503 6701.953       
415.8974 6810.003       332.8046 177.0683 5.594568 179.0925 4.426219 -2.024261 
7.133765 
1 1 1 -2  17  29 o 120.5525 2.984110  3129.824       145.6595 2922.371       
235.4072 3258.522       185.4157 117.0596 4.789979 124.0454 3.560302 -6.985825 
5.968220 
1 1 1 -2  17  30 o 173.1370 3.621971  6383.233       239.6503 6554.007       
444.2707 6313.148       284.6087 173.9837 6.082191 172.2903 3.934673 1.693481 
7.243942 
1 1 1 -2  17  31 o 78.92606 2.780385  1305.516       87.60945 1404.350       
151.4384 1255.799       107.4078 80.95240 4.455816 76.89973 3.326841 4.052673 
5.560771 
1 1 1 -2  17  32 o 34.35585 4.908461  242.4543       68.20624 399.8068       
115.8103 158.8899       84.39581 42.50961 6.489050 26.20210 7.366422 16.30751 
9.816921 
1 1 1 -2  17  33 o 24.64186 5.430608  111.6832       65.56499 239.2142       
109.3352 40.07036       81.93088 31.57799 8.182322 17.70573 7.142522 13.87226 
10.86122 
1 1 1 -2  17  34 o 57.41043 3.102168  693.7614       70.49511 784.4388       
125.1475 651.6164       85.31883 59.78733 4.985790 55.03353 3.692654 4.753799 
6.204337 
1 1 1 -2  17  35 o 27.98363 5.379303  200.6574       67.37662 126.1926       
109.2614 246.3481       85.58658 23.61789 8.549873 32.34938 6.530486 -8.731485 
10.75861 
1 1 1 -2  17  36 o 19.42082 5.290293  12.03428       67.43453 172.5889       
112.3935 -78.27113      84.29206 26.14922 8.723433 12.69242 5.987530 13.45680 
10.58059 
1 1 1 -2  17  37 o 63.30847 3.155958  816.1925       77.62827 1100.926       
147.0041 706.0900       91.41324 69.85108 5.012765 56.76586 3.835685 13.08522 
6.311917 
1 1 1 -2  17  38 o 20.94080 5.495157  105.3309       72.94135 -26.36910      
131.8194 163.4519       87.56953 17.11846 7.887339 24.76314 7.653554 -7.644684 
10.99031 
1 1 1 -2  18  1  o 260.3942 3.922473  14227.64       422.8419 13907.24       
550.9073 14687.03       659.6554 256.9274 5.107275 263.8611 5.954740 -6.933716 
7.844946 
1 1 1 -2  18  2  o 137.6647 1.905038  3981.152       110.0134 3961.042       
152.3329 4003.075       159.0494 137.3039 2.642602 138.0256 2.744691 
-0.7216492     3.810075 
1 1 1 -2  18  3  o 183.1166 2.242488  6627.839       137.1593 6375.401       
151.7550 7754.030       320.5320 174.2265 2.074675 192.0068 3.976270 -17.78035 
4.484975 
1 1 1 -2  18  4  o 47.48332 3.259811  473.8887       64.98490 0.000000       
0.000000 473.8887       64.98490 ?        ?        47.48332 3.259811 ? ? 
1 1 1 -2  18  5  o 146.1500 1.921990  4489.580       116.8840 4472.757       
177.3482 4502.500       155.4131 145.8995 2.895304 146.4006 2.528518 
-0.5010529     3.843981 
1 1 1 -2  18  6  o 136.4265 2.001056  3827.597       110.7416 3608.121       
137.9578 4225.252       185.6974 131.0574 2.507297 141.7956 3.119352 -10.73817 
4.002111 
1 1 1 -2  18  7  o 267.3801 3.843647  14567.45       307.3429 15766.61       
810.8287 14366.24       332.1272 273.2897 7.066867 261.4706 3.025539 11.81912 
7.687294 
1 1 1 -2  18  8  o 152.3223 3.650421  4871.150       212.4381 4919.600       
393.4528 4851.213       252.3894 152.7602 6.134843 151.8844 3.958030 0.8758545 
7.300843 
1 1 1 -2  18  9  o 109.6868 2.742791  2529.388       121.8602 2527.726       
153.3349 2532.238       200.7714 109.6631 3.330439 109.7106 4.358875 
-0.4747009E-01 5.485583 
1 1 1 -2  18  10 o 206.6333 2.444714  8670.344       171.4490 9500.139       
386.3528 8466.866       191.3186 212.4952 4.330679 200.7714 2.269741 11.72383 
4.889428 
1 1 1 -2  18  11 o 226.6434 3.015875  10865.38       270.6786 10632.64       
465.7009 10984.11       332.6352 224.7123 4.936296 228.5745 3.466263 -3.862198 
6.031749 
1 1 1 -2  18  12 o 97.64957 2.009664  2018.577       80.70004 1927.183       
126.1080 2081.959       105.0187 95.75238 3.136998 99.54676 2.512815 -3.794380 
4.019328 
1 1 1 -2  18  13 o 130.1935 2.500827  3551.728       131.9389 3613.599       
218.0117 3515.971       165.7359 131.0550 3.962301 129.3320 3.052330 1.722946 
5.001655 
1 1 1 -2  18  14 o 231.9993 3.768553  11212.92       328.3364 11654.04       
629.9470 11048.39       384.7271 234.8695 6.388494 229.1291 3.999389 5.740387 
7.537106 
1 1 1 -2  18  15 o 294.0804 3.454933  18238.03       378.9826 18210.01       
727.8712 18248.45       443.9002 293.6472 5.904045 294.5135 3.590056 
-0.8662109     6.909866 
1 1 1 -2  18  16 o 350.2286 5.583239  25975.65       791.2292 26353.64       
1310.049 25758.58       992.7498 351.6871 8.872627 348.7701 6.779875 2.917023 
11.16648 
1 1 1 -2  18  17 o 195.1566 3.328807  7892.120       249.0518 8377.453       
463.9472 7695.647       295.1891 199.1192 5.549788 191.1940 3.677453 7.925232 
6.657613 
1 1 1 -2  18  18 o 77.06641 2.174334  1246.354       69.80972 1274.610       
106.0120 1224.721       92.76128 77.82591 3.244531 76.30690 2.895503 1.519012 
4.348669 
1 1 1 -2  18  19 o 160.6544 2.884123  5448.946       188.3625 5410.120       
306.8918 5472.413       238.5903 160.1076 4.565564 161.2012 3.525377 -1.093628 
5.768245 
1 1 1 -2  18  20 o 92.05204 2.239516  1740.079       83.51569 1946.200       
140.8199 1628.246       103.7265 96.12740 3.489295 87.97668 2.808300 8.150726 
4.479032 
1 1 1 -2  18  21 o 72.72968 2.245966  1117.223       67.31381 1093.146       
105.2352 1133.897       87.57232 72.04428 3.479226 73.41508 2.841206 -1.370796 
4.491933 
1 1 1 -2  18  22 o 143.4827 2.373086  4233.421       129.6737 4575.372       
245.3711 4100.908       152.7468 147.3226 3.967119 139.6428 2.605401 7.679794 
4.746172 
1 1 1 -2  18  23 o 212.7108 2.663807  9578.973       220.1023 9419.981       
393.2367 9651.506       265.6053 211.2581 4.433653 214.1634 2.954013 -2.905319 
5.327615 
1 1 1 -2  18  24 o 95.81087 2.039015  1951.144       80.65709 1814.404       
123.4292 2053.052       106.5549 92.82675 3.167129 98.79499 2.568972 -5.968239 
4.078030 
1 1 1 -2  18  25 o 89.06815 2.468288  1673.515       90.42492 1669.153       
142.8854 1676.430       116.7865 88.93103 3.826976 89.20527 3.118339 
-0.2742386     4.936576 
1 1 1 -2  18  26 o 112.2922 2.226725  2647.792       101.4110 2700.901       
167.2944 2616.939       127.5088 113.1162 3.522715 111.4681 2.724648 1.648094 
4.453451 
1 1 1 -2  18  27 f 161.4662 3.357188  5499.052       214.9612 5661.212       
373.1293 5418.496       262.9893 162.9262 5.454932 160.0061 3.914916 2.920090 
6.714377 
1 1 1 -2  18  28 o 83.20215 2.679198  1479.045       92.16350 1383.901       
140.5762 1550.771       122.0551 80.76171 4.145982 85.64258 3.394589 -4.880867 
5.358395 
1 1 1 -2  18  29 o 85.28421 2.404379  1552.571       82.11667 1496.974       
137.3893 1583.471       102.4250 83.97228 3.897067 86.59614 2.817271 -2.623856 
4.808757 
1 1 1 -2  18  30 o 25.52818 4.640865  161.4709       59.42224 -1.315239      
105.6872 236.7181       71.85538 17.87731 7.716299 33.17905 5.158417 -15.30174 
9.281731 
1 1 1 -2  18  31 o 26.40292 5.454016  138.6350       65.92719 249.7759       
109.0177 74.55541       82.77899 32.72386 7.992863 20.08197 7.422890 12.64188 
10.90803 
1 1 1 -2  18  32 o 38.74768 4.031529  303.7916       62.75956 425.8368       
110.0650 244.9936       76.39604 43.99500 5.958913 33.50037 5.431782 10.49463 
8.063058 
1 1 1 -2  18  33 o 15.92174 4.809013  7.591601       57.48341 -50.42247      
99.22179 36.90049       70.52451 15.20013 6.936433 16.64335 6.662756 -1.443223 
9.618027 
1 1 1 -2  18  34 o 58.98620 3.228088  736.8090       77.20135 846.5044       
130.3069 677.4805       95.83072 62.04204 5.002675 55.93035 4.081110 6.111691 
6.456176 
1 1 1 -2  18  35 o 50.74246 3.609662  537.3890       74.35130 721.0138       
126.3991 440.2375       91.93971 56.86603 5.294345 44.61890 4.908009 12.24713 
7.219324 
1 1 1 -2  18  36 o 16.93918 5.206926  5.747200       67.00979 42.50541       
110.1860 -15.82694      84.41426 19.05886 8.038935 14.81951 6.619959 4.239347 
10.41385 
1 1 1 -2  18  37 o 30.12868 5.468309  244.4288       70.46357 181.4487       
115.2497 282.0253       89.04533 26.11856 8.833582 34.13881 6.448058 -8.020248 
10.93662 
1 1 1 -2  18  38 o 27.13232 6.125857  189.9576       74.68094 284.9944       
133.7063 146.8652       90.03404 30.84736 9.441669 23.41728 7.807649 7.430079 
12.25171 
1 1 1 -2  19  1  o 67.75381 2.180609  965.5420       61.85418 961.7913       
90.85307 968.7825       84.44775 67.62672 3.199944 67.88091 2.963204 
-0.2541885     4.361218 
1 1 1 -2  19  2  o 39.17793 2.481657  320.5795       40.64302 299.1272       
54.47116 347.5219       61.04469 37.71142 3.440447 40.64444 3.577403 -2.933018 
4.963315 
1 1 1 -2  19  3  o 204.2149 3.225682  8769.196       270.9571 8852.215       
429.4016 8714.271       349.2733 204.9510 4.990393 203.4788 4.088531 1.472183 
6.451365 
1 1 1 -2  19  4  o 131.9747 2.330834  3662.280       129.1372 3716.397       
182.8212 3608.391       182.4346 132.9491 3.275383 131.0003 3.317080 1.948853 
4.661669 
1 1 1 -2  19  5  o 25.84694 3.804355  146.7091       39.92866 131.4770       
57.35670 161.0320       55.61870 24.48319 5.684361 27.21069 5.057719 -2.727499 
7.608711 
1 1 1 -2  19  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  19  7  o 108.4592 3.714612  2382.625       139.5726 2651.822       
306.7674 2312.353       156.7347 112.0577 6.520613 104.8606 3.560195 7.197105 
7.429225 
1 1 1 -2  19  8  o 192.6772 5.237517  7823.585       423.6768 7823.585       
423.6768 0.000000       0.000000 192.6772 5.237517 ?        ?        ? ? 
1 1 1 -2  19  9  o 109.0781 1.972738  2515.105       88.18975 2430.851       
139.6638 2570.977       113.7313 107.5358 3.093513 110.6205 2.448868 -3.084702 
3.945476 
1 1 1 -2  19  10 o 166.6526 2.833784  5842.381       184.4757 5848.671       
327.7642 5839.465       223.1815 166.6451 4.684790 166.6602 3.189682 
-0.1512146E-01 5.667569 
1 1 1 -2  19  11 o 94.79779 2.130380  1900.546       83.40105 1822.392       
128.7657 1957.026       109.4647 93.09566 3.294518 96.49993 2.701894 -3.404274 
4.260761 
1 1 1 -2  19  12 o 218.1335 2.938490  9685.692       230.1435 10660.23       
479.5649 9394.100       262.3248 224.8737 5.079604 211.3933 2.955760 13.48044 
5.876980 
1 1 1 -2  19  13 o 256.0049 4.603172  13836.07       470.6208 13938.78       
801.2372 13781.97       581.5013 256.4384 7.442163 255.5715 5.419502 0.8668823 
9.206345 
1 1 1 -2  19  14 o 66.74310 2.337916  921.2177       64.35883 1019.233       
102.9426 858.3239       82.46146 69.59905 3.523002 63.88714 3.074388 5.711914 
4.675832 
1 1 1 -2  19  15 o 167.8912 2.574070  5832.550       165.0150 6174.864       
309.4108 5696.484       195.0732 171.1846 4.305185 164.5978 2.822894 6.586777 
5.148140 
1 1 1 -2  19  16 o 78.49313 2.180719  1279.085       69.86648 1367.119       
114.5890 1226.993       88.14603 80.59750 3.386434 76.38876 2.748491 4.208748 
4.361437 
1 1 1 -2  19  17 o 117.0163 2.131542  2842.984       100.9010 3019.572       
169.0381 2745.237       125.7638 119.7706 3.361671 114.2620 2.621651 5.508667 
4.263084 
1 1 1 -2  19  18 o 182.1106 2.835986  6835.658       194.2914 7342.203       
374.6106 6649.257       227.2448 186.4610 4.785345 177.7602 3.044953 8.700790 
5.671971 
1 1 1 -2  19  19 o 53.32392 2.576389  584.8475       56.87233 686.8621       
90.09863 517.2779       73.32675 57.09146 3.758964 49.55639 3.524389 7.535076 
5.152779 
1 1 1 -2  19  20 o 165.6573 3.130858  5685.817       200.9913 6065.688       
367.7569 5524.022       240.0075 169.3701 5.171839 161.9445 3.530039 7.425598 
6.261717 
1 1 1 -2  19  21 f 272.0881 3.964470  15543.18       412.6064 15986.78       
765.4792 15361.52       489.8599 274.3391 6.646099 269.8372 4.324055 4.501923 
7.928940 
1 1 1 -2  19  22 o 164.0693 2.056313  5687.676       134.6474 5586.564       
228.2006 5741.678       166.7720 162.8855 3.336993 165.2530 2.403781 -2.367493 
4.112626 
1 1 1 -2  19  23 o 173.2427 2.329315  6326.490       158.5175 6303.719       
278.3246 6337.423       192.8525 172.9130 3.833938 173.5723 2.646463 
-0.6593170     4.658631 
1 1 1 -2  19  24 o 81.33658 2.462629  1403.990       81.94451 1351.062       
130.2267 1438.683       105.4346 80.01848 3.876420 82.65468 3.038343 -2.636200 
4.925257 
1 1 1 -2  19  25 o 103.1324 2.681990  2228.981       112.5967 2315.209       
184.8024 2178.072       141.9965 104.6362 4.206748 101.6286 3.327994 3.007599 
5.363979 
1 1 1 -2  19  26 o 264.8593 4.388055  14827.88       444.5746 15450.70       
826.1603 14574.02       527.4550 267.7232 7.350203 261.9952 4.795271 5.727997 
8.776110 
1 1 1 -2  19  27 o 95.50142 2.453284  1862.459       94.93444 2174.792       
161.0554 1696.155       117.5217 101.3660 3.784460 89.63683 3.122862 11.72918 
4.906567 
1 1 1 -2  19  28 o 41.77868 3.645455  354.7397       61.60541 442.4013       
105.7412 309.6953       75.79825 45.43641 5.543210 38.12094 4.736053 7.315460 
7.290910 
1 1 1 -2  19  29 o 87.18791 2.663118  1566.619       91.15173 1748.168       
164.3174 1485.918       109.5533 90.57155 4.321284 83.80428 3.113727 6.767273 
5.326236 
1 1 1 -2  19  30 o 84.80046 2.678190  1538.750       92.69852 1496.750       
148.5525 1565.534       118.6291 83.70182 4.227330 85.89910 3.289452 -2.197281 
5.356380 
1 1 1 -2  19  31 o 33.91958 4.960663  247.0920       66.59885 344.6719       
111.9474 193.6381       82.85596 38.83205 7.133269 29.00711 6.895592 9.824934 
9.921327 
1 1 1 -2  19  32 o 62.65948 3.004369  837.3143       76.30887 877.5752       
126.6552 814.3715       95.61028 63.63587 4.740696 61.68310 3.691981 1.952774 
6.008737 
1 1 1 -2  19  33 o 99.67497 2.860100  2137.172       115.5122 2168.358       
190.3998 2119.008       145.3085 99.89814 4.539732 99.45181 3.480161 0.4463272 
5.720200 
1 1 1 -2  19  34 o 61.91120 3.180555  844.8338       80.10233 802.1470       
128.2735 872.1204       102.5569 60.29445 5.067347 63.52794 3.845219 -3.233490 
6.361110 
1 1 1 -2  19  35 o 24.88021 5.791241  147.2826       68.53216 169.6571       
111.0370 133.5145       87.10178 26.15179 8.670632 23.60864 7.679455 2.543156 
11.58248 
1 1 1 -2  19  36 o 31.04333 5.552189  228.8501       71.13152 319.7588       
118.0240 176.9931       89.13970 35.51282 8.093439 26.57385 7.602859 8.938963 
11.10438 
1 1 1 -2  19  37 o 37.37648 4.945479  336.3868       72.92319 393.5299       
119.9071 302.8464       91.86464 39.44747 7.510490 35.30548 6.436116 4.141991 
9.890958 
1 1 1 -2  19  38 o 22.99956 5.613446  147.2152       73.07891 41.34826       
128.3268 198.0261       88.90285 18.86744 8.319203 27.13168 7.538829 -8.264236 
11.22689 
1 1 1 -2  20  1  o 99.75140 1.953571  2072.886       81.20556 1943.098       
107.2638 2247.154       124.2928 96.13391 2.657649 103.3689 2.864028 -7.234978 
3.907141 
1 1 1 -2  20  2  o 235.5695 3.524990  11738.14       346.4387 11447.50       
516.1791 11976.37       467.3314 232.8342 5.280497 238.3047 4.671037 -5.470596 
7.049981 
1 1 1 -2  20  3  o 66.26886 2.025393  921.1328       56.26326 884.4673       
76.99278 963.1501       82.42078 64.85854 2.827508 67.67917 2.900700 -2.820625 
4.050785 
1 1 1 -2  20  4  o 111.6187 2.202999  2618.924       103.2092 2543.658       
144.2561 2697.854       147.7254 109.9759 3.124335 113.2614 3.106662 -3.285530 
4.405998 
1 1 1 -2  20  5  f 125.4493 2.663599  3328.920       135.4152 3247.683       
221.3373 3377.518       171.1930 124.1754 4.245611 126.7233 3.217737 -2.547943 
5.327199 
1 1 1 -2  20  6  o 89.57492 2.373087  1691.527       87.36069 1669.067       
138.0147 1706.542       112.8447 89.05849 3.691231 90.09134 2.983453 -1.032845 
4.746175 
1 1 1 -2  20  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  20  8  o 63.63988 4.145064  852.8019       110.7489 852.8019       
110.7489 0.000000       0.000000 63.63988 4.145064 ?        ?        ? ? 
1 1 1 -2  20  9  o 146.4043 3.039893  4481.875       175.5900 4609.829       
308.0981 4420.323       213.6903 147.8592 4.963200 144.9495 3.511473 2.909714 
6.079786 
1 1 1 -2  20  10 o 82.51485 2.123575  1418.614       71.85385 1491.147       
115.9596 1373.407       91.54734 84.19802 3.280394 80.83168 2.697647 3.366341 
4.247150 
1 1 1 -2  20  11 o 126.1170 2.049430  3356.449       105.7206 3289.187       
168.9753 3399.714       135.5221 125.0513 3.218520 127.1827 2.538068 -2.131462 
4.098860 
1 1 1 -2  20  12 o 86.65558 2.022651  1561.477       72.16658 1665.471       
115.3912 1494.672       92.48595 88.98728 3.088628 84.32388 2.612440 4.663399 
4.045301 
1 1 1 -2  20  13 o 31.24868 3.842971  203.5067       48.73600 251.7777       
76.82243 170.9947       63.04734 34.52971 5.299271 27.96764 5.566995 6.562071 
7.685942 
1 1 1 -2  20  14 f 177.8203 2.851951  6544.430       185.8589 6903.929       
371.8581 6424.716       214.5845 180.8638 4.897186 174.7768 2.924391 6.086975 
5.703901 
1 1 1 -2  20  15 o 59.96857 2.447857  756.9618       61.27097 758.2998       
91.76364 755.8853       82.30624 60.00715 3.642409 59.93000 3.271218 
0.7714462E-01  4.895714 
1 1 1 -2  20  16 o 198.9622 3.663775  8392.715       295.7899 8264.440       
482.9861 8469.698       374.1651 197.5634 5.823031 200.3609 4.448067 -2.797516 
7.327550 
1 1 1 -2  20  17 o 146.7914 2.300985  4511.306       132.9006 4607.195       
234.0372 4465.668       161.4587 147.8651 3.769991 145.7178 2.639186 2.147354 
4.601971 
1 1 1 -2  20  18 o 114.9833 2.520245  2796.600       118.3847 2734.009       
189.6957 2836.529       151.5104 113.8772 3.967727 116.0894 3.108645 -2.212166 
5.040490 
1 1 1 -2  20  19 o 172.3325 3.101928  6090.549       207.5293 6728.574       
381.4154 5822.226       247.3478 178.4077 5.092204 166.2574 3.543629 12.15030 
6.203857 
1 1 1 -2  20  20 o 200.3832 2.482762  8305.540       180.2050 8757.697       
366.9452 8161.833       206.8692 203.7495 4.289689 197.0170 2.500997 6.732452 
4.965523 
1 1 1 -2  20  21 o 101.0799 2.408149  2157.570       99.78925 2123.529       
158.6642 2179.847       128.3531 100.3828 3.764791 101.7771 3.003844 -1.394310 
4.816298 
1 1 1 -2  20  22 o 134.2154 2.483273  3796.246       135.3411 3790.501       
221.4473 3799.671       170.9927 134.0727 3.934152 134.3582 3.031339 
-0.2854767     4.966545 
1 1 1 -2  20  23 o 176.3133 2.632576  6419.221       173.5198 6856.435       
337.5177 6262.147       202.3019 180.1324 4.462989 172.4942 2.793486 7.638138 
5.265153 
1 1 1 -2  20  24 o 124.6038 2.237332  3255.270       113.3879 3339.468       
185.9957 3205.470       143.0422 125.8210 3.521039 123.3867 2.761322 2.434341 
4.474664 
1 1 1 -2  20  25 o 162.8124 2.547997  5565.336       164.8107 5700.913       
284.8438 5497.106       202.0701 164.1380 4.133507 161.4868 2.980481 2.651245 
5.095993 
1 1 1 -2  20  26 o 102.8662 2.273108  2240.178       95.34156 2206.805       
153.8260 2260.996       121.4916 102.1714 3.586090 103.5610 2.794286 -1.389603 
4.546216 
1 1 1 -2  20  27 o 23.42527 4.401774  70.74159       57.10997 257.2813       
89.90990 -55.42555      73.94264 34.02655 6.526587 12.82399 5.908139 21.20256 
8.803548 
1 1 1 -2  20  28 o 83.46324 2.474380  1494.186       85.52554 1251.186       
123.5027 1718.094       118.5519 76.78576 3.831041 90.14072 3.132627 -13.35496 
4.948760 
1 1 1 -2  20  29 o 39.37068 3.810675  338.0559       60.98744 315.5724       
97.46583 352.5238       78.18517 38.14336 6.086317 40.59801 4.587126 -2.454655 
7.621350 
1 1 1 -2  20  30 o 55.32835 2.782302  674.1214       61.99649 565.9038       
97.87354 746.6398       80.11993 51.35005 4.539892 59.30665 3.217794 -7.956604 
5.564604 
1 1 1 -2  20  31 o 75.85831 2.503986  1252.681       78.02381 1054.392       
116.6565 1413.181       104.9537 70.16261 3.960264 81.55399 3.065304 -11.39138 
5.007972 
1 1 1 -2  20  32 o 38.69300 4.186390  349.9266       62.69531 271.5872       
97.79359 404.5928       81.69210 34.15277 7.060229 43.23323 4.500735 -9.080460 
8.372781 
1 1 1 -2  20  33 o 14.51488 4.733721  -55.08904      65.20908 -55.34499      
106.7320 -54.93660      82.36998 15.60130 7.150312 13.42846 6.205280 2.172831 
9.467443 
1 1 1 -2  20  34 o 72.33176 2.944563  1114.467       84.95742 1214.614       
147.3173 1064.563       103.9924 74.35618 4.719084 70.30734 3.523075 4.048836 
5.889126 
1 1 1 -2  20  35 o 21.05214 5.556280  84.62281       62.55182 133.9437       
111.1719 61.77546       75.66544 23.88367 8.626447 18.22061 7.005241 5.663059 
11.11256 
1 1 1 -2  20  36 o 49.97706 3.751446  551.2817       75.99579 622.7006       
127.7720 512.1863       94.53492 52.02160 5.850234 47.93252 4.697676 4.089081 
7.502892 
1 1 1 -2  20  37 o 27.92691 5.744497  194.1374       70.69494 288.0729       
117.0942 140.2579       88.68147 32.55667 8.482535 23.29714 7.748780 9.259539 
11.48899 
1 1 1 -2  20  38 o 47.57638 4.110412  521.9372       78.48512 620.5551       
135.9199 472.6061       96.13142 50.11105 6.460567 45.04170 5.083603 5.069347 
8.220824 
1 1 1 -2  21  1  o 111.0074 2.083034  2582.519       96.79504 2466.851       
130.9589 2721.799       143.7050 108.2842 2.880653 113.7307 3.009645 -5.446465 
4.166069 
1 1 1 -2  21  2  o 159.3077 2.250221  5266.213       149.2781 4768.878       
196.4064 5946.481       229.7052 150.5369 3.107662 168.0786 3.255213 -17.54170 
4.500441 
1 1 1 -2  21  3  o 140.1124 1.885189  4134.822       109.1345 4165.748       
142.5168 4090.977       169.6956 140.7693 2.411455 139.4555 2.898385 1.313843 
3.770378 
1 1 1 -2  21  4  o 290.9902 3.725142  17534.18       396.7805 17171.57       
457.6364 18632.08       796.3148 285.5101 3.817862 296.4704 6.397708 -10.96036 
7.450285 
1 1 1 -2  21  5  o 173.2897 3.877735  6334.174       265.7729 6388.832       
461.6888 6307.084       325.0275 173.6464 6.332928 172.9330 4.476755 0.7134247 
7.755470 
1 1 1 -2  21  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  21  7  o 154.2449 3.300690  4984.080       209.9861 5200.135       
332.4285 4840.636       270.8676 156.9439 5.045160 151.5459 4.257298 5.397964 
6.601380 
1 1 1 -2  21  8  o 144.6844 3.126742  4321.773       182.4364 4738.112       
309.8427 4100.837       225.7103 149.8311 4.925614 139.5376 3.852841 10.29349 
6.253484 
1 1 1 -2  21  9  o 240.1346 5.685936  12192.91       573.2390 0.000000       
0.000000 12192.91       573.2390 ?        ?        240.1346 5.685936 ? ? 
1 1 1 -2  21  10 o 101.6030 4.077593  2175.253       173.9359 2175.253       
173.9359 0.000000       0.000000 101.6030 4.077593 ?        ?        ? ? 
1 1 1 -2  21  11 o 80.30585 2.362520  1365.516       79.15691 1466.260       
108.8698 1252.527       115.2960 83.48150 3.106263 77.13020 3.560497 6.351303 
4.725041 
1 1 1 -2  21  12 o 275.5719 3.889268  16075.03       434.9265 15989.77       
711.8961 16125.80       549.3743 274.7287 6.172109 276.4151 4.733993 -1.686401 
7.778535 
1 1 1 -2  21  13 o 22.83381 4.710044  112.5651       47.52598 112.4961       
73.41611 112.6148       62.35432 22.95452 6.990388 22.71309 6.314469 0.2414303 
9.420088 
1 1 1 -2  21  14 o 70.19940 2.306350  1041.462       67.08817 1010.521       
102.7188 1064.478       88.59444 69.26979 3.532052 71.12901 2.966749 -1.859215 
4.612699 
1 1 1 -2  21  15 o 76.87183 2.195681  1241.493       69.63840 1255.435       
109.3773 1231.989       90.30726 77.21617 3.373959 76.52750 2.810776 0.6886749 
4.391362 
1 1 1 -2  21  16 o 99.96805 2.348488  2082.862       96.00687 2196.524       
156.2317 2013.896       121.6964 102.1063 3.644497 97.82977 2.962974 4.276558 
4.696975 
1 1 1 -2  21  17 o 65.97101 2.389508  939.0790       64.49190 780.9719       
97.37080 1062.645       86.07991 60.87390 3.809945 71.06812 2.885015 -10.19421 
4.779016 
1 1 1 -2  21  18 o 93.51347 2.253224  1827.168       86.04863 1898.220       
140.0893 1784.118       109.0440 94.93497 3.514793 92.09196 2.820338 2.843010 
4.506448 
1 1 1 -2  21  19 o 61.81956 2.572495  795.2245       66.16563 877.2686       
102.2157 736.0532       86.80605 64.52199 3.773384 59.11713 3.497500 5.404861 
5.144991 
1 1 1 -2  21  20 o 116.0845 2.198062  2843.659       105.6958 2790.323       
162.5377 2882.740       139.1301 115.1125 3.363201 117.0566 2.831041 -1.944130 
4.396125 
1 1 1 -2  21  21 o 50.40468 3.066139  528.6377       62.91825 567.0085       
103.9508 506.4532       79.04099 51.79756 4.780128 49.01180 3.841252 2.785767 
6.132278 
1 1 1 -2  21  22 o 52.66961 3.202096  589.4323       69.50450 569.0596       
108.2007 603.7444       90.68987 51.85426 4.970118 53.48496 4.038761 -1.630699 
6.404191 
1 1 1 -2  21  23 o 65.35114 2.734131  907.9255       73.73759 865.6945       
113.8761 938.4171       96.76282 63.99550 4.238423 66.70678 3.455092 -2.711277 
5.468262 
1 1 1 -2  21  24 o 113.0566 2.472450  2715.180       114.5520 2616.490       
181.2359 2780.836       147.8244 111.2625 3.879865 114.8508 3.065726 -3.588318 
4.944899 
1 1 1 -2  21  25 o 99.41260 2.568857  2117.298       104.4514 1953.029       
163.9559 2229.510       135.5093 96.03594 4.066439 102.7892 3.140094 -6.753304 
5.137715 
1 1 1 -2  21  26 o 70.46114 2.756330  1016.337       79.09927 1196.484       
132.4968 916.5801       98.59693 75.09669 4.202481 65.82558 3.567712 9.271103 
5.512659 
1 1 1 -2  21  27 o 142.4720 2.711921  4282.595       150.6011 4365.090       
269.5908 4245.173       181.5745 143.1976 4.484256 141.7465 3.051150 1.451141 
5.423842 
1 1 1 -2  21  28 o 38.55429 4.711271  351.1246       69.69762 250.7783       
111.5406 415.4028       89.27186 33.04686 8.092923 44.06171 4.825855 -11.01485 
9.422542 
1 1 1 -2  21  29 o 93.35376 2.482639  1767.726       87.82522 2049.366       
169.9545 1665.117       102.5837 97.97832 4.131652 88.72919 2.753804 9.249138 
4.965279 
1 1 1 -2  21  30 o 110.4290 2.990142  2621.872       130.9737 2590.659       
224.6794 2637.939       161.1948 109.5441 4.885346 111.3140 3.449231 -1.769943 
5.980284 
1 1 1 -2  21  31 o 71.86400 2.940909  1064.464       86.15775 1306.912       
144.4512 930.5850       107.3415 77.84101 4.420115 65.88699 3.880512 11.95402 
5.881819 
1 1 1 -2  21  32 o 61.53415 3.070868  825.3141       76.57157 796.0110       
124.4595 843.1608       97.12947 60.39147 4.908779 62.67683 3.691179 -2.285362 
6.141735 
1 1 1 -2  21  33 o 24.21274 5.620909  139.2748       66.62836 104.2508       
108.7772 160.3055       84.29126 22.53191 8.472873 25.89357 7.388429 -3.361660 
11.24182 
1 1 1 -2  21  34 o 86.41409 2.415386  1602.008       86.06028 1638.910       
135.6659 1577.159       111.3267 87.04771 3.712226 85.78046 3.091236 1.267242 
4.830772 
1 1 1 -2  21  35 o 27.88000 4.935839  204.5173       70.02713 29.81192       
113.6269 311.5100       88.92117 18.74604 8.044055 37.01397 5.722168 -18.26793 
9.871678 
1 1 1 -2  21  36 o 33.41324 5.476475  278.2731       73.00916 308.1537       
122.3593 261.7534       90.97939 34.17821 8.542109 32.64826 6.855618 1.529949 
10.95295 
1 1 1 -2  21  37 o 19.88018 5.594987  71.02747       69.30616 143.7307       
113.6648 28.00087       87.44151 23.28855 8.680097 16.47181 7.061973 6.816742 
11.18997 
1 1 1 -2  22  1  o 112.7245 2.125310  2709.042       98.88716 2446.644       
149.9168 2911.140       131.5680 107.7995 3.312493 117.6495 2.663674 -9.850082 
4.250619 
1 1 1 -2  22  2  o 180.1244 2.303199  6755.627       165.2115 6599.813       
202.5367 7065.464       285.6063 177.1332 2.723485 183.1156 3.715041 -5.982391 
4.606398 
1 1 1 -2  22  3  o 144.9383 2.400705  4404.036       144.6319 4289.709       
190.4211 4559.919       222.3520 142.7536 3.177233 147.1231 3.599823 -4.369568 
4.801410 
1 1 1 -2  22  4  o 30.69502 4.365177  205.1794       53.79608 218.6004       
82.78854 195.3709       70.77459 31.52284 6.477854 29.86720 5.852904 1.655636 
8.730354 
1 1 1 -2  22  5  o 248.5658 10.60194  13364.13       1106.383 0.000000       
0.000000 13364.13       1106.383 ?        ?        248.5658 10.60194 ? ? 
1 1 1 -2  22  6  o 24.65520 5.170405  138.3782       60.84373 182.8511       
73.93855 45.09698       107.0830 28.80512 6.287798 20.50528 8.209505 8.299835 
10.34081 
1 1 1 -2  22  7  o 153.6986 3.398257  4979.001       218.1364 5087.808       
327.1258 4891.881       292.7171 155.1645 5.021615 152.2327 4.579955 2.931854 
6.796514 
1 1 1 -2  22  8  o 85.57726 2.595704  1539.398       92.96297 1583.646       
137.8528 1502.492       125.8981 86.69284 3.787506 84.46166 3.550426 2.231178 
5.191409 
1 1 1 -2  22  9  f 38.10092 3.772575  302.5368       59.86366 344.3881       
92.01390 271.8213       78.82751 40.34700 5.432044 35.85484 5.236620 4.492153 
7.545150 
1 1 1 -2  22  10 o 103.7902 2.730190  2257.746       117.7898 2356.760       
181.3395 2185.479       154.9223 105.7233 4.085478 101.8571 3.622792 3.866112 
5.460381 
1 1 1 -2  22  11 o 143.2042 7.179924  4364.500       431.6726 0.000000       
0.000000 4364.500       431.6726 ?        ?        143.2042 7.179924 ? ? 
1 1 1 -2  22  12 o 52.72781 3.226652  585.2908       71.18611 605.8837       
105.8208 568.2690       96.20895 53.56319 4.705716 51.89243 4.416036 1.670769 
6.453305 
1 1 1 -2  22  13 o 134.2934 2.832442  3717.037       154.9483 3472.531       
194.0114 4147.684       257.4798 128.3890 3.599321 140.1977 4.374448 -11.80867 
5.664884 
1 1 1 -2  22  14 o 47.39514 3.002184  489.9225       57.41515 345.5156       
83.03528 622.2155       79.47617 40.43747 4.891024 54.35281 3.482860 -13.91534 
6.004367 
1 1 1 -2  22  15 o 92.36957 2.133816  1791.404       81.47824 1818.682       
127.2806 1772.465       106.0566 92.94471 3.261809 91.79443 2.751961 1.150284 
4.267633 
1 1 1 -2  22  16 o 102.2709 2.039524  2218.666       85.88519 2101.765       
133.3616 2301.506       112.2648 99.92549 3.178892 104.6162 2.556027 -4.690742 
4.079047 
1 1 1 -2  22  17 o 85.19873 2.226042  1517.363       79.12317 1617.555       
120.1664 1440.676       105.1292 87.65601 3.265296 82.74146 3.026366 4.914558 
4.452084 
1 1 1 -2  22  18 o 78.43752 2.500873  1310.026       81.25800 1190.775       
121.8808 1405.444       109.0235 75.16345 3.862331 81.71159 3.178026 -6.548141 
5.001745 
1 1 1 -2  22  19 o 198.9415 3.812866  8309.697       301.6255 8584.781       
521.2882 8171.248       369.8202 201.1443 6.172927 196.7386 4.477362 4.405746 
7.625733 
1 1 1 -2  22  20 o 124.7223 2.517648  3280.094       129.5791 3266.280       
202.6105 3289.655       168.5580 124.4555 3.877652 124.9891 3.212167 
-0.5335922     5.035296 
1 1 1 -2  22  21 f 160.2452 2.198729  5380.667       140.3094 5494.627       
241.2021 5322.381       172.4980 161.4397 3.558703 159.0508 2.583267 2.388962 
4.397458 
1 1 1 -2  22  22 o 42.09040 3.479826  372.1982       61.20554 424.3011       
91.21535 329.5269       82.54768 44.75211 4.854846 39.42868 4.986704 5.323425 
6.959652 
1 1 1 -2  22  23 o 31.47714 4.610807  218.7266       58.45671 225.0972       
89.51257 213.9893       77.18996 31.80447 6.897666 31.14981 6.120489 0.6546612 
9.221614 
1 1 1 -2  22  24 o 84.86856 2.307050  1485.850       79.69175 1658.263       
132.7145 1388.627       99.65909 88.58518 3.568440 81.15193 2.925089 7.433250 
4.614099 
1 1 1 -2  22  25 o 26.56243 5.203747  161.1099       59.30457 130.7970       
100.0903 177.5089       73.61881 24.92138 8.232143 28.20348 6.367712 -3.282097 
10.40749 
1 1 1 -2  22  26 o 19.31581 5.200732  39.89938       58.24328 111.3240       
98.71832 1.761324       72.13619 23.51823 8.164324 15.11340 6.444710 8.404828 
10.40146 
1 1 1 -2  22  27 f 75.89800 2.651140  1218.961       84.03309 1257.068       
126.2582 1188.657       112.5936 76.92347 3.909506 74.87254 3.581890 2.050934 
5.302280 
1 1 1 -2  22  28 o 55.98051 3.050076  665.1895       71.46239 727.3627       
106.1369 613.6300       96.65366 58.35455 4.332241 53.60648 4.294593 4.748066 
6.100151 
1 1 1 -2  22  29 o 26.78903 5.559339  168.9900       68.34167 114.7832       
109.3710 203.7126       87.53494 23.81223 8.560677 29.76583 7.095054 -5.953602 
11.11868 
1 1 1 -2  22  30 o 44.22540 4.313683  461.4330       72.48846 328.9045       
113.0015 554.1014       94.49209 37.72147 7.399148 50.72932 4.436673 -13.00786 
8.627366 
1 1 1 -2  22  31 o 105.0058 2.620812  2344.581       104.9873 2408.756       
195.2615 2318.484       124.5176 105.5611 4.405890 104.4504 2.839501 1.110771 
5.241625 
1 1 1 -2  22  32 o 23.25098 5.596655  123.7891       65.71605 88.82453       
109.8586 143.2720       82.00607 21.82741 8.430752 24.67455 7.362921 -2.847136 
11.19331 
1 1 1 -2  22  33 o 44.20266 3.975386  414.5117       71.86382 552.2875       
118.6378 334.6588       90.31956 49.67859 5.688200 38.72673 5.555102 10.95185 
7.950772 
1 1 1 -2  22  34 o 55.16539 3.475213  641.9823       78.37086 835.8177       
130.1191 531.6350       98.17599 61.29358 5.056467 49.03719 4.768708 12.25639 
6.950427 
1 1 1 -2  22  35 o 52.61774 3.532512  598.4163       76.24137 725.2656       
125.2133 523.6777       96.11230 56.71515 5.258627 48.52033 4.718199 8.194817 
7.065024 
1 1 1 -2  22  36 o 24.75287 5.519399  156.4937       63.27058 168.5893       
99.02195 148.1485       82.25035 25.36829 8.183173 24.13745 7.408829 1.230839 
11.03880 
1 1 1 -2  22  37 o 24.01271 5.898695  151.8428       70.88196 196.9641       
117.0514 125.7155       89.07034 26.09497 8.902360 21.93046 7.741213 4.164516 
11.79739 
1 1 1 -2  23  1  f 77.24947 2.346427  1266.469       74.10774 1210.905       
117.7701 1302.893       95.35262 75.80702 3.700383 78.69191 2.886181 -2.884888 
4.692854 
1 1 1 -2  23  2  o 102.4687 2.175104  2193.503       93.14113 2047.838       
124.6165 2377.874       140.1990 98.64834 3.008894 106.2890 3.141794 -7.640633 
4.350208 
1 1 1 -2  23  3  o 62.87723 2.487606  826.4004       65.41917 916.4438       
97.60117 752.9477       88.15211 65.96329 3.524307 59.79117 3.511694 6.172127 
4.975212 
1 1 1 -2  23  4  o 92.87744 3.373202  1824.609       108.7348 1816.996       
231.9735 1826.753       123.0955 92.59329 5.967328 93.16158 3.147215 
-0.5682907     6.746404 
1 1 1 -2  23  5  o 67.36695 5.368232  960.0854       151.8298 960.0854       
151.8298 0.000000       0.000000 67.36695 5.368232 ?        ?        ? ? 
1 1 1 -2  23  6  f 87.77034 2.580487  1599.628       92.23698 1717.033       
152.2997 1531.622       115.9123 90.24340 4.019801 85.29729 3.236797 4.946114 
5.160975 
1 1 1 -2  23  7  o 88.19587 2.474804  1641.655       91.35308 1589.036       
133.2762 1688.286       125.4631 86.84682 3.655272 89.54492 3.337306 -2.698105 
4.949608 
1 1 1 -2  23  8  o 99.15205 2.711439  2077.300       112.4848 1995.650       
164.0365 2149.771       154.5427 97.28904 4.016037 101.0151 3.644042 -3.726013 
5.422878 
1 1 1 -2  23  9  o 107.7601 3.023936  2416.851       131.3089 2565.729       
221.9292 2336.659       162.8778 110.2101 4.796386 105.3101 3.683944 4.899948 
6.047873 
1 1 1 -2  23  10 o 133.1156 3.064618  3727.872       170.7531 3872.186       
253.2969 3607.661       231.1786 135.4511 4.454187 130.7801 4.210435 4.671005 
6.129237 
1 1 1 -2  23  11 o 38.16582 4.381433  326.5682       65.58056 258.3094       
101.6704 375.2039       85.82086 34.18855 7.297968 42.14309 4.850512 -7.954533 
8.762865 
1 1 1 -2  23  12 o 173.0830 3.325043  6313.719       239.8614 6428.516       
363.1556 6224.885       319.4603 174.4180 4.959324 171.7479 4.430436 2.670074 
6.650087 
1 1 1 -2  23  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  23  14 o 92.64761 2.945532  1812.190       114.4464 1886.320       
160.6297 1735.760       163.1021 94.58630 4.045002 90.70892 4.282827 3.877380 
5.891065 
1 1 1 -2  23  15 o 21.21386 5.124972  87.83084       53.84154 86.58113       
87.52089 88.59177       68.29365 21.62540 7.669533 20.80231 6.799971 0.8230915 
10.24994 
1 1 1 -2  23  16 o 151.2039 2.472334  4804.940       148.3844 4847.429       
256.0308 4783.451       182.0820 151.6244 4.022019 150.7834 2.876301 0.8409882 
4.944668 
1 1 1 -2  23  17 o 233.3390 3.833926  11477.32       347.2867 11648.34       
625.7839 11401.21       417.4745 234.2271 6.363680 232.4509 4.277794 1.776215 
7.667852 
1 1 1 -2  23  18 o 103.2954 2.237848  2257.041       93.96268 2203.492       
152.4702 2289.831       119.3123 102.2632 3.551294 104.3276 2.724000 -2.064400 
4.475697 
1 1 1 -2  23  19 o 33.86039 4.441697  250.9799       60.38944 234.2125       
94.56101 262.5285       78.47733 32.51568 7.122015 35.20510 5.309575 -2.689415 
8.883393 
1 1 1 -2  23  20 o 84.88576 2.306883  1514.556       78.69476 1531.683       
132.3439 1505.188       97.87851 85.20956 3.699446 84.56197 2.756978 0.6475906 
4.613765 
1 1 1 -2  23  21 o 114.1720 2.407703  2752.266       114.6214 2723.404       
171.9707 2775.336       153.7531 113.6001 3.605761 114.7439 3.191650 -1.143799 
4.815407 
1 1 1 -2  23  22 f 39.21020 3.949691  326.8166       63.71011 330.5345       
100.9098 324.3522       82.15441 39.34003 6.109695 39.08036 5.007182 0.2596703 
7.899382 
1 1 1 -2  23  23 o 86.76700 2.654459  1597.853       92.77208 1571.518       
154.0692 1612.832       116.1995 86.11153 4.261627 87.42248 3.165936 -1.310951 
5.308919 
1 1 1 -2  23  24 o 25.25770 5.318135  143.4194       62.00581 96.89355       
98.64387 173.8105       79.72533 22.66712 8.131913 27.84829 6.855816 -5.181168 
10.63627 
1 1 1 -2  23  25 o 122.8414 2.559494  3207.029       129.8819 3127.270       
201.2024 3264.010       170.0612 121.4266 3.946756 124.2561 3.259933 -2.829437 
5.118989 
1 1 1 -2  23  26 o 29.31507 5.728995  193.0357       73.30618 233.8867       
108.0373 158.1809       99.79391 31.98452 8.046513 26.64561 8.157156 5.338911 
11.45799 
1 1 1 -2  23  27 o 114.1758 3.234609  2778.065       154.0770 2875.330       
232.8687 2702.329       205.4868 115.8460 4.787967 112.5056 4.350419 3.340439 
6.469217 
1 1 1 -2  23  28 o 183.6014 3.466139  7256.464       262.2268 7256.309       
411.8629 7256.571       340.0578 183.1573 5.356111 184.0455 4.400971 
-0.8882446     6.932278 
1 1 1 -2  23  29 o 18.16421 5.364394  8.963174       69.96309 73.29652       
105.9238 -40.82343      93.18192 21.20316 8.260009 15.12526 6.846836 6.077898 
10.72879 
1 1 1 -2  23  30 f 96.48439 2.681676  2006.793       105.4720 1942.054       
169.2528 2047.894       134.8586 94.95570 4.245570 98.01307 3.277297 -3.057365 
5.363352 
1 1 1 -2  23  31 o 25.73586 5.229525  157.4662       70.29163 15.35329       
110.8847 252.9409       90.88635 18.51629 7.945964 32.95543 6.800983 -14.43914 
10.45905 
1 1 1 -2  23  32 o 64.27589 2.881836  883.9982       76.88216 965.6297       
119.8846 826.9734       100.1997 66.66182 4.283586 61.88997 3.856268 4.771847 
5.763672 
1 1 1 -2  23  33 o 50.49056 3.779717  580.7237       77.94079 492.8744       
118.3393 648.0255       103.5793 46.62991 6.044847 54.35122 4.539258 -7.721317 
7.559434 
1 1 1 -2  23  34 o 29.17266 5.766644  220.0935       74.33598 178.1998       
115.9748 249.3071       96.84602 26.50251 8.861327 31.84281 7.381978 -5.340305 
11.53329 
1 1 1 -2  23  35 o 21.61228 5.518787  110.0204       64.64694 79.58112       
105.2964 128.4353       81.89964 20.37208 8.147161 22.85249 7.446598 -2.480412 
11.03757 
1 1 1 -2  23  36 o 70.14024 3.214493  1084.013       93.58171 1312.151       
145.5069 923.0800       122.2098 76.29513 4.542634 63.98535 4.549321 12.30978 
6.428985 
1 1 1 -2  23  37 o 66.97514 3.041515  1013.980       85.37807 1042.396       
125.0246 989.1492       116.8728 67.74474 4.395832 66.20555 4.204749 1.539192 
6.083030 
1 1 1 -2  24  1  o 70.01418 2.339311  1024.406       68.34753 1106.169       
103.7840 961.7891       90.82339 72.45332 3.411876 67.57504 3.201345 4.878281 
4.678622 
1 1 1 -2  24  2  o 128.2261 3.682078  3526.086       182.7748 3359.045       
325.6093 3602.933       220.8515 125.7668 6.166689 130.6855 4.025262 -4.918724 
7.364155 
1 1 1 -2  24  3  o 100.3766 3.703481  2123.504       156.0708 0.000000       
0.000000 2123.504       156.0708 ?        ?        100.3766 3.703481 ? ? 
1 1 1 -2  24  4  o 140.7726 7.208223  4221.281       426.0155 4221.281       
426.0155 0.000000       0.000000 140.7726 7.208223 ?        ?        ? ? 
1 1 1 -2  24  5  o 150.3294 3.348016  4761.423       198.7536 4809.271       
346.4789 4737.956       242.6462 150.7337 5.475043 149.9251 3.854963 0.8085632 
6.696032 
1 1 1 -2  24  6  o 61.03133 2.806171  791.2144       71.34311 717.4833       
104.2683 856.1186       97.82811 58.31773 4.258659 63.74493 3.655435 -5.427197 
5.612342 
1 1 1 -2  24  7  o 80.24464 2.674077  1365.766       87.75135 1316.926       
139.6873 1397.604       112.7833 79.01445 4.210865 81.47483 3.297177 -2.460381 
5.348155 
1 1 1 -2  24  8  o 66.97634 2.877196  944.9628       80.12291 952.6320       
122.3092 939.1977       106.0450 67.19380 4.335618 66.75888 3.783575 0.4349213 
5.754392 
1 1 1 -2  24  9  o 129.7885 3.164496  3546.463       171.0396 3623.872       
260.1239 3487.506       227.0154 130.9918 4.729958 128.5851 4.205191 2.406677 
6.328991 
1 1 1 -2  24  10 o 147.0545 3.159600  4571.741       193.9121 4491.208       
289.0508 4637.646       261.4830 145.8287 4.721198 148.2803 4.200306 -2.451630 
6.319200 
1 1 1 -2  24  11 o 96.40190 2.673566  1963.860       106.5440 1926.700       
164.9921 1990.438       139.5382 95.58333 4.111516 97.22048 3.418665 -1.637154 
5.347133 
1 1 1 -2  24  12 o 82.71589 2.761045  1449.047       94.96122 1388.896       
142.9224 1496.589       127.0631 81.14516 4.195259 84.28662 3.590723 -3.141464 
5.522090 
1 1 1 -2  24  13 o 162.2074 3.011320  5580.266       201.9039 5375.407       
311.1111 5729.326       265.3807 159.5448 4.644660 164.8700 3.833971 -5.325180 
6.022640 
1 1 1 -2  24  14 o 100.1758 2.984421  2125.329       125.0170 1985.079       
180.9286 2253.472       172.9430 96.97363 4.444005 103.3779 3.984708 -6.404259 
5.968843 
1 1 1 -2  24  15 o 169.9630 6.679014  6142.829       476.5909 6142.829       
476.5909 0.000000       0.000000 169.9630 6.679014 ?        ?        ? ? 
1 1 1 -2  24  16 o 174.8649 4.488951  6478.661       327.7657 6674.465       
492.7953 6323.323       438.9285 177.1324 6.626584 172.5974 6.057319 4.534958 
8.977902 
1 1 1 -2  24  17 o 35.04794 4.242977  272.3596       59.30044 226.4987       
90.26313 307.1849       78.65676 31.99161 6.916384 38.10426 4.916812 -6.112648 
8.485953 
1 1 1 -2  24  18 o 124.4976 2.468600  3236.747       125.1844 3394.012       
205.5911 3144.083       157.8127 126.8178 3.861402 122.1773 3.076609 4.640518 
4.937201 
1 1 1 -2  24  19 o 68.90689 2.552201  995.7296       72.69630 1035.990       
114.1842 968.2878       94.27045 70.04333 3.882936 67.77045 3.313266 2.272881 
5.104402 
1 1 1 -2  24  20 o 113.9235 2.511918  2569.631       113.7094 3272.305       
204.3733 2254.585       136.8465 124.4366 3.911983 103.4103 3.152034 21.02636 
5.023837 
1 1 1 -2  24  21 o 23.61968 5.407906  113.3156       60.22790 142.2258       
96.31519 94.75220       77.17886 25.67239 8.045262 21.56697 7.228798 4.105421 
10.81581 
1 1 1 -2  24  22 o 56.77489 2.933333  684.5130       69.05056 673.0255       
105.8468 693.0238       91.10697 56.31585 4.476804 57.23395 3.791569 
-0.9181023     5.866666 
1 1 1 -2  24  23 o 76.38948 2.561129  1193.418       80.20029 1426.346       
131.9281 1056.881       101.0071 82.06906 3.828943 70.70989 3.402457 11.35917 
5.122257 
1 1 1 -2  24  24 o 178.3132 3.383150  6778.137       246.2754 6773.433       
397.2743 6781.074       313.8583 177.9444 5.317740 178.6819 4.183832 
-0.7374573     6.766300 
1 1 1 -2  24  25 o 63.68262 2.828775  859.0191       73.73451 874.0316       
118.6699 849.5787       94.10436 64.05077 4.413032 63.31448 3.540200 0.7362938 
5.657549 
1 1 1 -2  24  26 o 57.87640 3.449575  716.6641       83.54906 734.6359       
123.8307 701.6464       113.1965 58.50031 5.041866 57.25248 4.709337 1.247829 
6.899150 
1 1 1 -2  24  27 o 27.91348 5.475354  164.2058       72.99652 290.2357       
109.0746 61.97247       98.23888 35.54753 7.537799 20.27942 7.943523 15.26811 
10.95071 
1 1 1 -2  24  28 o 28.88985 5.454135  194.1733       71.28443 110.2355       
101.7603 275.0519       99.88860 23.17413 8.264787 34.60557 7.119245 -11.43145 
10.90827 
1 1 1 -2  24  29 o 79.15976 2.744859  1337.332       90.73586 1395.351       
136.6449 1291.574       121.3519 80.62291 4.036973 77.69661 3.720194 2.926300 
5.489717 
1 1 1 -2  24  30 o 67.05287 2.873945  970.2241       80.71935 941.4994       
117.0660 996.2589       111.4498 66.03690 4.222456 68.06884 3.899885 -2.031937 
5.747890 
1 1 1 -2  24  31 o 67.92706 3.191933  982.4323       89.98512 1166.812       
140.6252 854.5881       117.0974 73.17037 4.577717 62.68375 4.449523 10.48663 
6.383866 
1 1 1 -2  24  32 o 21.22067 5.483446  94.60359       65.60973 47.95041       
102.9614 126.4987       85.13261 19.21275 7.914034 23.22860 7.592152 -4.015846 
10.96689 
1 1 1 -2  24  33 o 61.45377 3.333656  832.6479       85.40716 847.6255       
128.9811 820.9530       113.9741 61.77271 4.973368 61.13482 4.440570 0.6378899 
6.667313 
1 1 1 -2  24  34 o 25.66405 5.726808  145.3197       74.40653 269.9912       
115.9092 57.93426       97.04064 32.31153 8.449198 19.01657 7.732811 13.29496 
11.45362 
1 1 1 -2  24  35 o 65.90931 3.101478  965.6920       85.55563 987.6864       
126.5664 947.1853       116.0981 66.46848 4.535487 65.35014 4.231551 1.118332 
6.202956 
1 1 1 -2  24  36 o 29.81899 6.016677  247.8614       78.24667 262.8864       
121.0873 237.0891       102.5288 30.20138 8.933362 29.43661 8.062050 0.7647667 
12.03335 
1 1 1 -2  25  1  o 107.6070 2.945810  2438.500       117.4540 2471.873       
228.6852 2426.541       136.8886 107.9153 5.047497 107.2987 3.038744 0.6165924 
5.891621 
1 1 1 -2  25  2  o 112.2943 3.786744  2637.111       158.8951 2767.436       
307.6931 2589.718       185.5508 113.8723 6.436068 110.7162 3.991835 3.156090 
7.573488 
1 1 1 -2  25  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  25  4  f 127.9579 2.979371  3452.287       159.5625 3534.477       
236.2405 3383.338       216.3766 129.3295 4.350886 126.5862 4.071411 2.743324 
5.958742 
1 1 1 -2  25  5  o 63.83858 2.846201  868.9161       75.45506 778.1032       
111.3145 946.1158       102.6326 60.69049 4.368698 66.98666 3.649372 -6.296177 
5.692401 
1 1 1 -2  25  6  o 127.1647 2.872435  3392.709       152.6363 3609.228       
229.5975 3221.230       204.3264 130.7594 4.182302 123.5700 3.938514 7.189339 
5.744871 
1 1 1 -2  25  7  o 84.46161 2.872940  1497.148       100.8233 1559.645       
155.4231 1451.740       132.4806 85.94860 4.307228 82.97461 3.803015 2.973991 
5.745880 
1 1 1 -2  25  8  o 78.14119 2.771691  1287.700       90.85505 1358.677       
129.4662 1218.827       127.5325 80.26987 3.841714 76.01252 3.996288 4.257347 
5.543382 
1 1 1 -2  25  9  o 62.93353 3.120317  832.5613       82.18514 882.6531       
122.2652 791.2722       111.0038 64.64478 4.504957 61.22226 4.318666 3.422520 
6.240634 
1 1 1 -2  25  10 o 75.40991 2.776207  1209.673       86.72394 1127.254       
131.2291 1273.577       115.5533 73.07688 4.277316 77.74294 3.540320 -4.666061 
5.552414 
1 1 1 -2  25  11 o 87.56866 2.629655  1619.808       95.75917 1592.069       
145.1328 1641.193       127.4346 86.87656 3.979091 88.26077 3.439067 -1.384209 
5.259311 
1 1 1 -2  25  12 o 77.03099 2.844112  1256.099       91.44167 1208.261       
135.3627 1296.253       124.0170 75.65369 4.261771 78.40829 3.767387 -2.754593 
5.688224 
1 1 1 -2  25  13 o 160.0513 3.031139  5336.927       199.4411 5755.124       
321.0093 5074.014       254.5262 165.0107 4.633686 155.0920 3.908987 9.918701 
6.062279 
1 1 1 -2  25  14 o 112.0659 2.980165  2664.611       139.3184 2518.755       
205.5599 2788.531       189.4737 109.1720 4.484853 114.9598 3.925764 -5.787758 
5.960330 
1 1 1 -2  25  15 o 51.90609 3.611090  573.7355       78.17309 539.4193       
115.2198 603.0054       106.4117 50.42827 5.442193 53.38390 4.747885 -2.955627 
7.222179 
1 1 1 -2  25  16 f 137.4783 3.931157  3990.693       226.8994 0.000000       
0.000000 3990.693       226.8994 ?        ?        137.4783 3.931157 ? ? 
1 1 1 -2  25  17 o 45.41635 6.001681  439.3332       114.4364 439.3332       
114.4364 0.000000       0.000000 45.41635 6.001681 ?        ?        ? ? 
1 1 1 -2  25  18 o 197.0550 3.737379  8110.704       288.6323 8646.690       
516.8066 7867.739       347.9552 201.2981 6.115182 192.8119 4.298437 8.486206 
7.474759 
1 1 1 -2  25  19 o 21.47378 5.415846  83.40862       60.22296 102.8879       
98.63949 71.83264       76.04020 23.11103 8.147605 19.83653 7.137373 3.274494 
10.83169 
1 1 1 -2  25  20 o 193.6594 2.530278  7995.759       194.8971 7703.384       
330.8019 8151.205       241.2055 190.7072 4.131635 196.6116 2.922127 -5.904434 
5.060556 
1 1 1 -2  25  21 o 123.0975 2.066019  3144.072       100.0273 3345.313       
177.9418 3051.104       120.9453 125.8317 3.368286 120.3633 2.393404 5.468414 
4.132037 
1 1 1 -2  25  22 o 53.64913 3.029029  606.3206       67.66738 647.6447       
103.7618 575.7405       89.25951 55.19889 4.477423 52.09937 4.080780 3.099525 
6.058059 
1 1 1 -2  25  23 o 55.80428 2.847863  644.0703       64.46298 726.1337       
108.4628 599.2515       80.15594 58.41752 4.422409 53.19104 3.589371 5.226482 
5.695725 
1 1 1 -2  25  24 o 119.5784 2.615072  3043.147       128.2619 2989.006       
203.4159 3078.879       165.2526 118.5523 4.086917 120.6045 3.263665 -2.052208 
5.230144 
1 1 1 -2  25  25 o 54.30479 3.530748  629.6472       79.95203 660.4795       
121.4204 606.0454       106.2338 55.41727 5.218765 53.19230 4.757018 2.224968 
7.061496 
1 1 1 -2  25  26 o 133.6728 3.337047  3840.532       187.0846 3747.129       
268.5482 3928.608       260.7781 132.0108 4.845449 135.3349 4.589680 -3.324112 
6.674095 
1 1 1 -2  25  27 o 19.14928 5.494968  31.97577       70.46521 85.39919       
105.0970 -11.65320      94.97560 21.86365 8.299107 16.43492 7.204409 5.428730 
10.98994 
1 1 1 -2  25  28 o 77.58682 2.662788  1284.828       86.35588 1126.623       
119.1325 1459.995       125.3564 72.50749 3.913527 82.66615 3.611935 -10.15865 
5.325577 
1 1 1 -2  25  29 o 99.61799 2.726974  2114.333       113.3260 2279.278       
172.3436 1988.687       150.4187 102.9352 3.987975 96.30077 3.720430 6.634430 
5.453947 
1 1 1 -2  25  30 o 63.23774 3.347455  884.7833       87.33910 783.7313       
131.1192 965.3801       117.0988 59.67922 5.233161 66.79626 4.175624 -7.117046 
6.694909 
1 1 1 -2  25  31 o 60.92262 3.311587  805.3989       83.30677 856.5083       
131.7251 771.3307       107.5456 62.31873 5.034671 59.52651 4.303315 2.792221 
6.623174 
1 1 1 -2  25  32 o 37.99952 5.009424  346.8024       76.43420 311.7335       
118.0109 372.1449       100.3197 35.44888 8.102674 40.55015 5.892707 -5.101273 
10.01885 
1 1 1 -2  25  33 o 19.08921 5.360734  62.39419       65.15099 32.75338       
97.12068 86.64639       87.85009 17.87547 7.543905 20.30295 7.618358 -2.427483 
10.72147 
1 1 1 -2  25  34 o 51.69349 3.968516  629.7527       82.81252 472.8701       
121.7605 764.7838       112.9629 44.80296 6.473226 58.58403 4.592802 -13.78107 
7.937032 
1 1 1 -2  25  35 o 85.45877 2.974767  1653.500       103.6616 1511.682       
162.6248 1750.559       134.5363 81.63380 4.745017 89.28374 3.589120 -7.649948 
5.949535 
1 1 1 -2  25  36 o 18.11125 5.380650  56.21400       68.62183 46.73159       
109.6089 62.32643       88.00219 18.21693 7.860464 18.00556 7.349741 0.2113686 
10.76130 
1 1 1 -2  26  1  o 37.13526 4.824269  318.8666       67.56296 258.6159       
117.7277 348.4554       82.50138 33.79415 8.338118 40.47637 4.854905 -6.682220 
9.648539 
1 1 1 -2  26  2  o 118.1826 6.699839  3001.307       332.4274 0.000000       
0.000000 3001.307       332.4274 ?        ?        118.1826 6.699839 ? ? 
1 1 1 -2  26  3  o 79.31906 3.587468  1337.829       118.6365 1551.925       
170.9113 1138.746       164.8099 85.50464 4.761042 73.13348 5.367698 12.37116 
7.174936 
1 1 1 -2  26  4  o 22.12171 5.275123  95.59024       59.65568 133.1222       
84.83395 58.87533       83.90546 24.75288 7.509614 19.49053 7.410357 5.262354 
10.55025 
1 1 1 -2  26  5  f 84.59972 2.567082  1512.265       91.10754 1469.120       
130.1242 1553.755       127.6038 83.40347 3.716164 85.79597 3.542566 -2.392502 
5.134165 
1 1 1 -2  26  6  o 73.83412 2.680858  1149.025       82.99594 1232.661       
120.1642 1072.731       114.7695 76.40349 3.746132 71.26475 3.835948 5.138741 
5.361717 
1 1 1 -2  26  7  f 99.66388 2.892217  2121.332       119.1847 1952.833       
180.7681 2250.907       158.5199 96.05817 4.482379 103.2696 3.656221 -7.211433 
5.784434 
1 1 1 -2  26  8  o 63.65323 2.956907  845.9726       78.44299 1002.554       
117.9520 721.8009       105.0380 68.88055 4.078773 58.42591 4.282150 10.45464 
5.913815 
1 1 1 -2  26  9  o 59.38913 3.158879  739.3666       78.21578 802.7013       
119.4145 691.7791       103.5101 61.58023 4.618881 57.19802 4.310453 4.382210 
6.317758 
1 1 1 -2  26  10 o 98.15378 2.832909  2036.112       116.6541 2003.226       
167.3841 2067.170       162.6648 97.36912 4.094624 98.93843 3.916062 -1.569313 
5.665817 
1 1 1 -2  26  11 o 119.5719 2.821937  2997.965       138.5862 3125.262       
222.1875 2916.904       177.3028 121.5633 4.353496 117.5805 3.591710 3.982849 
5.643873 
1 1 1 -2  26  12 o 104.0633 2.757935  2291.400       120.1621 2219.379       
174.8802 2355.813       165.3866 102.4843 4.064476 105.6424 3.728922 -3.158119 
5.515871 
1 1 1 -2  26  13 o 81.06808 2.812546  1400.310       94.90544 1240.584       
137.7163 1544.772       130.9708 76.58627 4.283073 85.54990 3.646498 -8.963631 
5.625093 
1 1 1 -2  26  14 o 47.39412 3.830014  461.3490       74.83739 570.7189       
120.4268 392.5396       95.52090 51.80248 5.537245 42.98575 5.292915 8.816730 
7.660028 
1 1 1 -2  26  15 o 94.70183 2.787862  1908.888       110.0435 1740.343       
160.6914 2057.735       151.0095 90.69006 4.220403 98.71359 3.643749 -8.023537 
5.575725 
1 1 1 -2  26  16 o 47.02712 4.177793  470.7992       81.99478 544.9576       
119.1525 404.0925       113.0077 50.57400 5.611731 43.48024 6.190661 7.093765 
8.355585 
1 1 1 -2  26  17 o 106.0430 3.067515  2387.181       136.0997 2327.113       
199.4511 2439.522       186.1814 104.7460 4.535446 107.3401 4.131382 -2.594093 
6.135030 
1 1 1 -2  26  18 o 140.7170 4.836336  4209.030       285.7208 0.000000       
0.000000 4209.030       285.7208 ?        ?        140.7170 4.836336 ? ? 
1 1 1 -2  26  19 o 103.0061 3.779248  2285.657       161.0987 2421.559       
214.7219 2110.641       243.6697 106.7054 4.793038 99.30671 5.844455 7.398727 
7.558496 
1 1 1 -2  26  20 o 146.3094 3.362436  4536.188       205.7309 4341.859       
276.7402 4776.265       307.5943 142.8814 4.613364 149.7374 4.892932 -6.855972 
6.724873 
1 1 1 -2  26  21 o 60.56385 2.828877  787.1089       70.13350 735.0882       
110.2213 822.4996       90.91199 58.78395 4.466093 62.34375 3.473356 -3.559799 
5.657754 
1 1 1 -2  26  22 o 36.44314 4.363157  305.2580       61.99821 232.3616       
96.76832 356.0155       80.74764 32.03715 7.347113 40.84914 4.708342 -8.811989 
8.726314 
1 1 1 -2  26  23 o 43.45862 3.686107  410.7354       65.49541 378.9535       
102.7645 432.4760       84.99419 41.90197 5.841572 45.01527 4.497285 -3.113304 
7.372213 
1 1 1 -2  26  24 o 37.67663 3.913573  305.8580       61.24089 310.9620       
93.99679 302.0935       80.72557 37.87546 5.911207 37.47780 5.130481 0.3976555 
7.827146 
1 1 1 -2  26  25 o 78.81238 2.984995  1335.675       97.92134 1264.928       
146.0054 1393.511       132.0127 76.79504 4.528526 80.82972 3.890146 -4.034676 
5.969990 
1 1 1 -2  26  26 o 92.83383 3.024651  1852.823       117.5926 1774.050       
169.9437 1925.186       162.8829 90.85175 4.455463 94.81590 4.091810 -3.964149 
6.049302 
1 1 1 -2  26  27 o 89.05994 2.972459  1702.937       110.6477 1495.299       
153.3932 1928.170       159.7598 83.31470 4.385363 94.80518 4.013806 -11.49049 
5.944918 
1 1 1 -2  26  28 o 52.24355 3.609970  594.5436       79.05279 620.9647       
115.8715 571.5370       108.1251 53.29765 5.178327 51.18946 5.031149 2.108181 
7.219940 
1 1 1 -2  26  29 o 84.45922 2.887293  1523.833       99.61008 1613.787       
162.5159 1469.705       126.0662 86.18444 4.491464 82.73400 3.629408 3.450439 
5.774587 
1 1 1 -2  26  30 o 119.3631 3.292329  3103.818       159.8109 3171.956       
261.3214 3063.112       201.9838 119.8120 5.195119 118.9142 4.045795 0.8978577 
6.584658 
1 1 1 -2  26  31 o 57.26836 3.588160  753.8406       82.50993 593.9100       
126.9923 870.6743       108.5414 51.27773 5.898881 63.25900 4.086901 -11.98127 
7.176319 
1 1 1 -2  26  32 o 47.63179 3.937111  509.8101       78.10182 533.8506       
119.1446 491.6959       103.4219 48.43003 5.859771 46.83355 5.259890 1.596474 
7.874221 
1 1 1 -2  26  33 o 41.95453 4.288342  392.8709       73.16639 466.5287       
122.9357 352.4692       91.04745 44.55353 6.572291 39.35553 5.510400 5.198006 
8.576685 
1 1 1 -2  26  34 o 22.62270 5.900347  126.5149       75.05477 94.24434       
116.7045 149.2760       98.01251 21.21149 8.537857 24.03391 8.146249 -2.822428 
11.80069 
1 1 1 -2  26  35 o 17.02200 5.153495  28.72288       65.95816 69.79629       
99.43865 -3.545616      88.13821 18.95254 7.787196 15.09145 6.752306 3.861093 
10.30699 
1 1 1 -2  27  1  o 31.63717 6.385533  223.3326       81.84387 0.000000       
0.000000 223.3326       81.84387 ?        ?        31.63717 6.385533 ? ? 
1 1 1 -2  27  2  o 45.62585 6.997998  451.0218       134.0491 451.0218       
134.0491 0.000000       0.000000 45.62585 6.997998 ?        ?        ? ? 
1 1 1 -2  27  3  o 71.03658 3.372850  1046.965       93.27338 1147.186       
170.1131 1003.882       111.5336 73.23543 5.532706 68.83772 3.859228 4.397705 
6.745701 
1 1 1 -2  27  4  o 34.43307 5.196301  266.7538       72.31355 238.7417       
116.4514 284.3350       92.25672 32.44925 8.461394 36.41688 6.034153 -3.967628 
10.39260 
1 1 1 -2  27  5  o 40.65313 3.813709  355.4027       64.54852 318.2816       
93.96918 388.5665       88.81915 38.57567 5.802205 42.73059 4.950953 -4.154922 
7.627419 
1 1 1 -2  27  6  o 84.13870 2.600714  1483.444       91.08729 1597.653       
140.0475 1399.709       119.9165 86.89249 3.838964 81.38491 3.509588 5.507584 
5.201428 
1 1 1 -2  27  7  f 89.08784 2.696873  1676.122       100.7826 1611.151       
139.0861 1747.948       146.2389 87.27629 3.795844 90.89941 3.831979 -3.623116 
5.393746 
1 1 1 -2  27  8  o 79.87646 2.746545  1346.923       91.99958 1436.012       
133.4218 1266.168       127.0277 82.39354 3.857045 77.35938 3.911168 5.034164 
5.493090 
1 1 1 -2  27  9  o 94.43627 2.611985  1899.027       102.7520 1672.185       
147.9311 2110.493       142.8296 88.89741 3.963616 99.97514 3.402884 -11.07773 
5.223971 
1 1 1 -2  27  10 o 150.0936 3.071987  4777.409       193.2007 4719.602       
281.2070 4829.090       265.8900 149.1848 4.489756 151.0024 4.194104 -1.817657 
6.143974 
1 1 1 -2  27  11 o 94.73930 2.705786  1905.846       107.1744 1755.707       
154.2584 2045.947       149.0127 91.07870 4.034160 98.39991 3.607029 -7.321213 
5.411572 
1 1 1 -2  27  12 o 182.5848 3.379493  7086.834       258.2516 6987.261       
378.9503 7173.181       352.8867 181.2962 4.978686 183.8734 4.571276 -2.577225 
6.758985 
1 1 1 -2  27  13 o 97.83276 2.752378  2025.991       112.9061 1899.544       
159.0019 2154.596       160.3535 94.73122 3.997883 100.9343 3.784082 -6.203079 
5.504757 
1 1 1 -2  27  14 o 93.61113 2.870757  1848.991       111.9407 1908.881       
170.4025 1803.525       148.4701 94.89456 4.277162 92.32769 3.830258 2.566872 
5.741515 
1 1 1 -2  27  15 o 68.80397 3.045234  1011.970       87.07231 856.3687       
124.0679 1162.996       122.2304 63.49132 4.654426 74.11662 3.928119 -10.62530 
6.090468 
1 1 1 -2  27  16 o 67.16412 3.263923  969.3071       90.74444 879.0579       
136.2527 1041.247       121.6493 64.24249 5.051774 70.08575 4.134291 -5.843254 
6.527846 
1 1 1 -2  27  17 o 94.40599 2.953495  1891.264       116.1795 1885.223       
175.1925 1896.007       155.2199 94.21002 4.429344 94.60197 3.908124 
-0.3919449     5.906989 
1 1 1 -2  27  18 o 93.36595 3.150231  1861.479       122.4002 1782.139       
183.4017 1925.200       164.3595 91.47697 4.775433 95.25493 4.109874 -3.777962 
6.300462 
1 1 1 -2  27  19 o 67.44821 3.106117  961.7770       87.64748 1080.076       
129.2808 861.1531       119.2325 71.27793 4.320163 63.61849 4.464085 7.659443 
6.212235 
1 1 1 -2  27  20 o 114.3527 6.280512  2824.738       301.5229 0.000000       
0.000000 2824.738       301.5229 ?        ?        114.3527 6.280512 ? ? 
1 1 1 -2  27  21 o 22.72807 5.400311  85.76611       73.51626 -58.87700      
113.2022 191.2632       96.67770 16.48009 7.490471 28.97604 7.781148 -12.49595 
10.80062 
1 1 1 -2  27  22 o 52.00172 3.411940  580.7372       73.85389 488.4563       
103.1118 677.9507       105.8316 47.67578 5.151475 56.32767 4.475224 -8.651894 
6.823880 
1 1 1 -2  27  23 o 21.54681 5.341910  93.59203       58.91058 91.85553       
94.36078 94.70118       75.41280 21.86575 7.942561 21.22787 7.145611 0.6378784 
10.68382 
1 1 1 -2  27  24 o 111.0571 2.596095  2629.467       120.9632 2531.800       
171.6292 2725.865       170.5119 108.9705 3.751485 113.1436 3.589596 -4.173088 
5.192190 
1 1 1 -2  27  25 o 42.49647 4.408443  397.6911       75.63197 500.7717       
112.6950 313.2148       102.0196 47.91750 5.601849 37.07544 6.808580 10.84206 
8.816886 
1 1 1 -2  27  26 o 44.86785 4.205464  446.4826       78.54198 409.0280       
115.3632 478.8436       107.2323 42.93508 6.399941 46.80062 5.457514 -3.865547 
8.410928 
1 1 1 -2  27  27 o 29.27967 5.641346  207.9886       74.14327 136.7800       
109.5012 268.2739       100.7531 24.75140 8.598062 33.80793 7.305649 -9.056532 
11.28269 
1 1 1 -2  27  28 o 100.6907 2.827208  2185.696       119.3979 2054.451       
166.5867 2324.339       171.2166 97.53684 4.068111 103.8446 3.927200 -6.307785 
5.654416 
1 1 1 -2  27  29 o 49.95160 3.541175  534.2286       73.06879 636.9844       
116.8324 468.2157       93.64287 53.70690 5.181487 46.19630 4.828238 7.510605 
7.082350 
1 1 1 -2  27  30 o 43.83611 4.195582  434.2845       76.07285 431.8637       
117.5557 436.0287       99.78246 43.45338 6.443789 44.21884 5.374870 
-0.7654533     8.391165 
1 1 1 -2  27  31 o 31.59263 5.141611  242.2021       66.40231 255.4802       
100.7575 232.0074       88.28732 32.19641 7.572470 30.98885 6.957179 1.207563 
10.28322 
1 1 1 -2  27  32 o 24.21412 5.977043  143.5250       74.08022 149.4607       
115.7127 139.4025       96.43333 24.60973 8.809543 23.81850 8.080355 0.7912312 
11.95409 
1 1 1 -2  27  33 o 29.96695 5.821711  241.4484       76.81144 194.0799       
117.4164 276.8849       101.5569 26.86593 8.916229 33.06797 7.487999 -6.202034 
11.64342 
1 1 1 -2  27  34 o 38.38029 5.114881  405.2824       76.31169 252.2821       
120.2170 508.5423       98.76100 29.72423 8.923911 47.03636 5.001184 -17.31213 
10.22976 
1 1 1 -2  27  35 o 20.96088 5.878227  107.6799       76.33599 112.0765       
119.0640 104.6114       99.46981 21.32365 8.606867 20.59812 8.008498 0.7255287 
11.75645 
1 1 1 -2  28  1  o 18.78726 7.980075  12.84006       109.8374 12.84006       
109.8374 0.000000       0.000000 18.78726 7.980075 ?        ?        ? ? 
1 1 1 -2  28  2  o 69.27931 3.471569  1046.531       97.45588 950.0026       
155.6941 1108.716       124.9646 66.40145 5.584905 72.15717 4.125045 -5.755722 
6.943138 
1 1 1 -2  28  3  o 70.98000 3.644559  1089.440       101.6374 1050.997       
176.4924 1108.515       124.3212 69.76805 6.025465 72.19196 4.101830 -2.423904 
7.289117 
1 1 1 -2  28  4  o 91.24900 3.475564  1809.320       120.9842 1704.214       
220.0698 1854.845       144.8346 88.96726 5.891845 93.53074 3.688409 -4.563477 
6.951129 
1 1 1 -2  28  5  o 150.4965 3.583556  4885.948       223.1804 4524.963       
337.8952 5165.306       297.2471 145.2578 5.540685 155.7351 4.546239 -10.47723 
7.167111 
1 1 1 -2  28  6  o 57.55331 3.077127  698.0252       73.73375 750.7268       
113.2405 659.2366       97.14972 59.39021 4.541591 55.71642 4.153167 3.673790 
6.154254 
1 1 1 -2  28  7  o 22.18641 5.450566  89.32281       64.27839 145.0828       
94.94684 42.14379       87.33607 25.71945 7.973528 18.65336 7.433541 7.066090 
10.90113 
1 1 1 -2  28  8  o 64.41051 2.880332  874.8645       77.59933 940.1464       
116.0269 822.0319       104.3790 66.55845 4.152183 62.26257 3.993073 4.295879 
5.760664 
1 1 1 -2  28  9  f 70.64037 2.805481  1051.967       82.63818 1106.405       
125.5839 1010.393       109.7467 72.21217 4.142330 69.06856 3.784705 3.143608 
5.610961 
1 1 1 -2  28  10 o 84.32908 2.776009  1523.976       97.00842 1373.457       
144.7326 1646.754       130.7168 80.42898 4.286225 88.22918 3.528907 -7.800201 
5.552019 
1 1 1 -2  28  11 o 66.19579 3.110019  938.0464       85.46992 781.7222       
121.1867 1092.761       120.5612 60.59779 4.763424 71.79378 3.999833 -11.19599 
6.220038 
1 1 1 -2  28  12 o 166.7218 3.383934  5884.153       228.0023 6045.476       
379.6899 5793.175       285.1355 168.1895 5.377138 165.2540 4.109798 2.935547 
6.767869 
1 1 1 -2  28  13 o 90.46858 2.767135  1734.514       103.6139 1736.283       
160.5760 1733.252       135.6274 90.43501 4.229266 90.50214 3.569518 
-0.6713104E-01 5.534271 
1 1 1 -2  28  14 o 137.6159 3.011162  4024.674       172.2981 4004.673       
262.0526 4039.906       228.6759 137.2013 4.549372 138.0305 3.946086 
-0.8292084     6.022324 
1 1 1 -2  28  15 o 103.2703 3.007070  2268.504       128.9734 2247.181       
196.8202 2284.551       170.7395 102.7511 4.562513 103.7895 3.918336 -1.038345 
6.014141 
1 1 1 -2  28  16 o 39.17619 4.545027  336.3440       71.80028 334.8280       
111.5193 337.4174       93.83664 38.69736 7.131691 39.65502 5.636316 
-0.9576569     9.090054 
1 1 1 -2  28  17 o 60.97013 3.306937  797.8541       83.83493 673.7772       
118.7234 921.2522       118.3983 56.13483 5.037615 65.80543 4.285531 -9.670597 
6.613875 
1 1 1 -2  28  18 o 36.30870 5.497547  301.0989       81.15970 280.7130       
119.5672 318.5165       110.5202 34.99355 8.261126 37.62386 7.255750 -2.630302 
10.99509 
1 1 1 -2  28  19 o 116.9591 3.481929  2923.076       170.6859 2697.004       
235.8399 3171.740       247.3435 112.1813 5.007463 121.7369 4.839486 -9.555595 
6.963857 
1 1 1 -2  28  20 o 130.1595 3.596567  3640.897       194.9031 3628.717       
294.7736 3650.358       259.7969 129.7702 5.410467 130.5487 4.740044 
-0.7785645     7.193133 
1 1 1 -2  28  21 o 27.07393 5.771592  151.9655       78.16441 264.1501       
113.9452 52.25253       107.4250 33.75540 8.126020 20.39245 8.198346 13.36294 
11.54318 
1 1 1 -2  28  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  28  23 f 57.89752 4.068885  721.5558       95.30753 768.9095       
159.3736 695.1934       118.9135 59.08483 6.424827 56.71021 4.994488 2.374619 
8.137771 
1 1 1 -2  28  24 o 52.58976 3.675272  613.8917       79.24137 496.5126       
116.6308 714.5325       107.9952 47.58401 5.838122 57.59552 4.466188 -10.01151 
7.350545 
1 1 1 -2  28  25 o 77.63414 2.829838  1300.343       91.66044 1231.312       
135.0861 1359.244       124.7812 75.60060 4.256049 79.66767 3.730680 -4.067070 
5.659675 
1 1 1 -2  28  26 o 16.16917 5.066168  -30.72950      71.31319 -97.44924      
105.6338 25.14279       96.66602 14.35876 6.752834 17.97959 7.554036 -3.620821 
10.13234 
1 1 1 -2  28  27 o 75.26743 3.034939  1233.516       95.06762 1048.315       
134.0611 1420.859       134.8340 69.37966 4.602479 81.15520 3.957349 -11.77554 
6.069878 
1 1 1 -2  28  28 o 61.46582 3.396763  833.0190       87.15485 763.2038       
126.1162 896.8407       120.5812 58.81487 5.107457 64.11677 4.479495 -5.301903 
6.793526 
1 1 1 -2  28  29 o 65.90968 3.175874  943.6556       87.35022 1100.839       
129.6419 812.9674       118.2116 70.97958 4.350437 60.83978 4.628001 10.13980 
6.351748 
1 1 1 -2  28  30 o 27.20418 5.178521  187.6011       72.91918 23.54128       
113.0723 304.4094       95.40957 18.55448 7.994629 35.85387 6.584392 -17.29939 
10.35704 
1 1 1 -2  28  31 o 57.13773 3.572734  738.3936       84.53900 676.1313       
126.6134 788.4807       113.5612 54.58989 5.524442 59.68556 4.531915 -5.095669 
7.145468 
1 1 1 -2  28  32 o 20.41889 5.380264  86.66785       67.66635 1.670518       
107.1294 143.0874       87.28120 17.00044 7.534888 23.83734 7.682086 -6.836895 
10.76053 
1 1 1 -2  28  33 o 47.75745 4.123102  533.5629       81.49756 564.9720       
127.4450 511.8331       106.0043 48.54207 6.253534 46.97283 5.375238 1.569241 
8.246203 
1 1 1 -2  28  34 o 19.30217 5.677578  72.10541       75.16004 90.20618       
115.7168 58.89686       98.84968 20.30819 8.381730 18.29616 7.660691 2.012028 
11.35516 
1 1 1 -2  29  1  o 78.03915 3.770687  1303.619       121.9181 1215.283       
158.0374 1433.469       191.6081 74.96481 5.021385 81.11350 5.626545 -6.148689 
7.541373 
1 1 1 -2  29  2  o 26.57096 5.460696  168.3201       72.45792 39.93274       
119.3311 243.3001       91.19380 20.50050 8.489367 32.64142 6.870769 -12.14093 
10.92139 
1 1 1 -2  29  3  o 55.49240 3.743167  684.2355       82.47049 599.5974       
136.1500 733.2885       103.6493 52.41715 6.186789 58.56766 4.215312 -6.150505 
7.486335 
1 1 1 -2  29  4  o 108.1846 2.971041  2499.056       126.7923 2498.111       
220.6475 2499.523       154.9254 107.8555 4.872788 108.5137 3.400628 
-0.6581726     5.942081 
1 1 1 -2  29  5  o 34.83705 5.342620  273.2415       74.99000 303.8422       
117.6940 252.3281       97.29726 36.37064 7.927719 33.30347 7.164192 3.067169 
10.68524 
1 1 1 -2  29  6  o 32.12926 5.023142  236.3708       67.69403 167.5293       
98.96376 296.9049       92.80080 27.22124 8.081460 37.03728 5.968067 -9.816036 
10.04628 
1 1 1 -2  29  7  o 143.7817 3.045308  4408.223       178.4298 4401.722       
289.1177 4412.223       226.7666 143.4292 4.801293 144.1342 3.747426 
-0.7050171     6.090617 
1 1 1 -2  29  8  o 21.60319 5.541945  85.45378       65.11164 110.1287       
96.53596 64.85994       88.19221 23.25143 8.073396 19.95494 7.594266 3.296482 
11.08389 
1 1 1 -2  29  9  o 58.57143 3.182641  731.5060       78.01826 734.4904       
115.0412 728.9645       106.1619 58.64605 4.672352 58.49682 4.322724 0.1492233 
6.365283 
1 1 1 -2  29  10 o 137.5788 3.197933  3952.912       171.4330 4263.841       
310.9964 3817.192       205.4695 141.0055 5.253400 134.1521 3.648134 6.853348 
6.395865 
1 1 1 -2  29  11 o 165.8149 3.793928  5900.363       264.0969 5839.134       
370.9107 5963.326       376.1226 164.9489 5.356005 166.6810 5.374826 -1.732071 
7.587855 
1 1 1 -2  29  12 o 73.13200 3.000269  1155.877       90.62807 1001.277       
134.5939 1284.112       122.5815 68.47919 4.681531 77.78483 3.753628 -9.305641 
6.000537 
1 1 1 -2  29  13 o 130.2577 3.001598  3608.750       161.2185 3633.501       
253.2636 3591.888       209.0424 130.4614 4.623934 130.0540 3.828525 0.4073792 
6.003197 
1 1 1 -2  29  14 o 158.8673 3.263676  5409.798       216.8304 5022.370       
312.5231 5769.386       301.0856 153.2164 4.858451 164.5182 4.359102 -11.30177 
6.527352 
1 1 1 -2  29  15 o 94.69345 2.952857  1897.178       116.6683 2019.757       
177.0218 1803.047       155.1256 97.32768 4.332230 92.05921 4.013630 5.268471 
5.905713 
1 1 1 -2  29  16 o 29.79360 5.462952  195.4668       69.04636 262.6425       
107.4591 148.2322       90.10882 33.87748 7.724053 25.70973 7.727508 8.167749 
10.92590 
1 1 1 -2  29  17 o 44.15149 4.602094  459.3875       77.02866 321.3923       
120.6765 554.2706       100.0656 37.42794 7.922669 50.87503 4.684910 -13.44708 
9.204187 
1 1 1 -2  29  18 o 11.16108 3.918307  -229.5527      68.79136 -193.8923      
104.4296 -256.8889      91.43221 12.28522 6.014910 10.03695 5.023284 2.248271 
7.836615 
1 1 1 -2  29  19 o 20.05307 5.701349  50.82854       73.27511 49.54459       
108.4196 51.90814       99.41787 20.28405 8.202445 19.82209 7.920948 0.4619560 
11.40270 
1 1 1 -2  29  20 o 79.08995 3.028875  1331.345       100.1198 1429.028       
150.5262 1253.844       134.0785 81.63423 4.391984 76.54566 4.172148 5.088570 
6.057750 
1 1 1 -2  29  21 o 84.77665 3.087233  1552.786       108.5392 1473.921       
164.3665 1613.768       144.5341 82.68909 4.734632 86.86421 3.963241 -4.175125 
6.174465 
1 1 1 -2  29  22 o 46.35510 5.149207  532.4501       88.68132 338.5639       
141.0894 659.0747       114.0197 37.53795 9.045824 55.17225 4.922439 -17.63430 
10.29841 
1 1 1 -2  29  23 o 37.41629 6.152171  338.6497       100.6152 200.4834       
144.0372 470.3142       140.6074 29.20351 9.875391 45.62908 7.339855 -16.42557 
12.30434 
1 1 1 -2  29  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  29  25 o 78.67606 4.034088  1201.655       121.2431 991.9312       
140.4385 1815.406       240.2473 67.36082 4.965920 89.99128 6.358860 -22.63046 
8.068175 
1 1 1 -2  29  26 o 57.08259 3.398144  712.0414       81.25942 726.9966       
119.3925 699.1353       110.9119 57.57483 4.939299 56.59034 4.668281 0.9844856 
6.796287 
1 1 1 -2  29  27 o 109.4878 2.982167  2613.478       136.6501 2427.795       
195.6001 2790.507       190.9872 105.4960 4.416254 113.4796 4.008737 -7.983543 
5.964334 
1 1 1 -2  29  28 o 83.61707 2.781296  1520.524       97.16531 1483.609       
143.5513 1551.736       131.9994 82.52819 4.143105 84.70594 3.711753 -2.177750 
5.562592 
1 1 1 -2  29  29 o 34.37534 5.218754  285.7495       75.37456 391.9160       
109.6043 190.4895       103.8220 41.26222 6.326976 27.48847 8.301263 13.77375 
10.43751 
1 1 1 -2  29  30 o 49.61741 3.859674  543.0195       79.25256 651.7798       
125.6476 471.1602       102.1317 53.54635 5.589145 45.68847 5.324453 7.857887 
7.719348 
1 1 1 -2  29  31 o 35.97101 5.318419  327.3573       77.00057 309.9209       
118.4238 340.1282       101.3495 34.49281 8.271987 37.44920 6.687042 -2.956390 
10.63684 
1 1 1 -2  29  32 o 44.79858 4.291482  474.5708       80.08388 492.5529       
121.6899 460.8333       106.3626 45.24792 6.405854 44.34924 5.712470 0.8986816 
8.582964 
1 1 1 -2  29  33 o 30.61359 5.794211  270.0543       78.59389 199.5192       
120.4950 322.2831       103.6863 26.07244 9.022965 35.15474 7.271700 -9.082294 
11.58842 
1 1 1 -2  30  1  o 58.41752 3.967291  768.4716       87.87770 704.8579       
159.4262 796.2350       105.3229 56.02706 6.777708 60.80798 4.125562 -4.780926 
7.934582 
1 1 1 -2  30  2  o 67.11622 3.749421  994.4382       99.02368 948.4573       
170.4792 1017.851       121.6497 65.45800 6.203399 68.77444 4.213130 -3.316437 
7.498842 
1 1 1 -2  30  3  o 33.14177 5.527822  244.7643       73.49950 316.6095       
123.7656 205.6224       91.35276 36.59422 8.252363 29.68933 7.357020 6.904882 
11.05564 
1 1 1 -2  30  4  o 50.05453 4.061925  535.7151       83.16650 600.4796       
136.5730 497.5445       104.8485 52.23225 6.227981 47.87682 5.216245 4.355423 
8.123851 
1 1 1 -2  30  5  o 42.97670 4.528418  382.8291       76.48454 476.5279       
140.0334 342.9927       91.30709 46.23415 7.214226 39.71924 5.475511 6.514915 
9.056836 
1 1 1 -2  30  6  o 21.64141 5.449948  91.48515       63.35383 121.9753       
90.98576 62.78946       88.26775 23.63858 7.848806 19.64423 7.563331 3.994352 
10.89990 
1 1 1 -2  30  7  o 43.84847 3.890346  416.0286       71.11884 424.6304       
107.5028 409.3341       94.83803 44.17347 5.796679 43.52347 5.190152 0.6500053 
7.780692 
1 1 1 -2  30  8  f 45.38414 3.778510  445.4104       71.96273 445.5593       
103.3193 445.2702       100.2897 45.37136 5.424012 45.39692 5.262001 
-0.2556610E-01 7.557020 
1 1 1 -2  30  9  o 18.49949 5.245654  42.41259       62.11393 13.62491       
99.51545 60.78538       79.50140 17.96473 7.611625 19.03425 7.220159 -1.069519 
10.49131 
1 1 1 -2  30  10 f 53.62416 3.347057  617.1867       75.25178 620.2195       
109.3951 614.4625       103.6790 53.71937 4.850515 53.52895 4.613423 0.1904182 
6.694115 
1 1 1 -2  30  11 o 72.20872 3.037554  1102.774       91.58533 1249.294       
138.1989 988.0332       122.2965 76.43595 4.306536 67.98151 4.284936 8.454445 
6.075108 
1 1 1 -2  30  12 o 94.82584 2.758186  1912.381       109.1820 1954.119       
164.1040 1879.232       146.2475 95.68295 4.085128 93.96872 3.707031 1.714226 
5.516371 
1 1 1 -2  30  13 o 80.35037 2.871473  1381.353       96.56087 1264.534       
137.1522 1496.169       135.9709 76.91132 4.247501 83.78944 3.865252 -6.878120 
5.742947 
1 1 1 -2  30  14 o 23.53939 6.033731  108.4723       76.14832 117.1151       
118.0380 102.3114       99.65964 24.35317 8.879669 22.72561 8.171606 1.627556 
12.06746 
1 1 1 -2  30  15 o 65.07386 3.166222  892.6058       85.30344 998.6953       
134.7369 821.6346       110.2025 68.17474 4.707433 61.97299 4.235553 6.201748 
6.332443 
1 1 1 -2  30  16 o 82.23983 2.934761  1447.226       100.5308 1442.599       
151.7839 1450.841       134.1818 82.02472 4.407599 82.45494 3.876127 
-0.4302216     5.869522 
1 1 1 -2  30  17 o 94.19314 2.978630  1925.455       116.1132 1687.686       
171.9129 2124.915       157.4557 88.58249 4.622550 99.80379 3.757790 -11.22130 
5.957260 
1 1 1 -2  30  18 o 25.22865 5.861613  142.1679       71.41783 140.4646       
108.4973 143.4702       94.86914 25.27377 8.570899 25.18352 7.998357 
0.9024429E-01  11.72323 
1 1 1 -2  30  19 o 95.72057 2.845604  1963.884       113.0365 1956.314       
173.2105 1969.500       149.1825 95.41069 4.324126 96.03045 3.700241 
-0.6197586     5.691208 
1 1 1 -2  30  20 o 62.33627 3.516510  834.8485       91.55632 957.4951       
136.8766 735.5411       123.1663 66.46731 4.905035 58.20524 5.040237 8.262066 
7.033019 
1 1 1 -2  30  21 o 32.09369 5.577369  249.7866       77.97548 149.5117       
113.3237 339.9495       107.4579 25.73071 8.759457 38.45667 6.906526 -12.72595 
11.15474 
1 1 1 -2  30  22 o 98.72670 3.791480  2129.200       156.8604 2000.098       
214.1917 2278.525       230.3575 95.52768 5.340654 101.9257 5.383187 -6.398048 
7.582961 
1 1 1 -2  30  23 o 36.75256 6.243361  328.9736       95.64528 271.1565       
131.3707 394.1889       139.5229 33.10926 9.151443 40.39585 8.495251 -7.286591 
12.48672 
1 1 1 -2  30  24 o 27.43771 6.443056  157.0692       92.64911 58.63122       
122.0750 290.8007       142.2861 20.96694 8.623732 33.90849 9.575131 -12.94155 
12.88611 
1 1 1 -2  30  25 o 35.57772 6.567919  305.6471       97.49979 247.0495       
123.2315 403.7213       159.4261 31.40012 8.925166 39.75533 9.638032 -8.355206 
13.13584 
1 1 1 -2  30  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  30  27 o 63.52525 4.406769  886.2253       113.7565 787.8950       
141.2297 1067.866       191.9507 59.13243 5.688811 67.91808 6.731708 -8.785656 
8.813539 
1 1 1 -2  30  28 o 24.98314 5.908569  154.0489       72.90108 156.6901       
104.4760 151.5426       101.7725 25.15611 8.410564 24.81016 8.301034 0.3459435 
11.81714 
1 1 1 -2  30  29 o 30.77369 5.230248  245.1316       70.59248 152.2676       
108.7591 312.7361       92.79605 24.69821 8.569905 36.84917 5.998226 -12.15096 
10.46050 
1 1 1 -2  30  30 o 24.78140 5.972631  158.2085       74.13261 153.2053       
114.9329 161.7729       97.00983 24.49400 8.778643 25.06880 8.100909 
-0.5748005     11.94526 
1 1 1 -2  30  31 o 49.15398 3.712218  557.7947       76.42972 518.5820       
108.1950 596.8526       107.9812 47.25280 5.453820 51.05515 5.037668 -3.802349 
7.424436 
1 1 1 -2  30  32 o 75.81652 3.348060  1325.125       105.3512 1259.756       
158.4630 1376.906       141.0338 73.57312 5.130146 78.05992 4.303442 -4.486801 
6.696119 
1 1 1 -2  31  1  o 73.01891 3.856736  1164.289       111.3436 1233.863       
194.9582 1130.611       135.6409 73.99068 6.276039 72.04713 4.484303 1.943542 
7.713471 
1 1 1 -2  31  2  o 23.27468 5.727341  116.4342       75.26821 18.16043       
120.3820 179.5112       96.44468 19.19971 8.260549 27.34966 7.935557 -8.149950 
11.45468 
1 1 1 -2  31  3  o 66.68776 3.588318  1007.802       96.53324 781.4302       
146.0840 1183.272       128.6155 59.34196 5.863567 74.03355 4.137956 -14.69159 
7.176636 
1 1 1 -2  31  4  o 84.78987 3.561867  1576.300       123.6897 1536.420       
196.1380 1602.632       159.3761 83.51487 5.593956 86.06487 4.410809 -2.549995 
7.123734 
1 1 1 -2  31  5  o 68.17390 3.392763  1038.556       92.98164 888.4170       
148.0403 1136.371       119.4912 63.60361 5.543951 72.74418 3.912539 -9.140568 
6.785525 
1 1 1 -2  31  6  o 32.86588 5.613115  261.7628       74.20013 229.4867       
127.4057 278.3293       91.27743 30.82800 9.173038 34.90376 6.471754 -4.075768 
11.22623 
1 1 1 -2  31  7  o 52.31329 3.526431  591.3169       77.25380 640.1604       
114.2148 550.1255       104.8870 54.28617 5.011346 50.34040 4.962790 3.945774 
7.052862 
1 1 1 -2  31  8  o 96.16860 2.897909  1971.933       116.4435 1856.623       
155.7112 2118.235       175.3918 93.05791 3.985544 99.27930 4.207961 -6.221390 
5.795817 
1 1 1 -2  31  9  o 42.76810 4.027950  399.9900       72.17038 404.5225       
105.7762 396.0423       98.71767 42.94160 5.867198 42.59460 5.520283 0.3470001 
8.055901 
1 1 1 -2  31  10 o 20.84481 5.491635  76.74338       62.67144 104.7964       
103.4867 60.49634       78.75571 22.84815 8.315968 18.84148 7.174742 4.006662 
10.98327 
1 1 1 -2  31  11 o 63.57618 3.220754  878.5358       84.09193 831.0426       
131.2887 911.5742       109.5020 61.91793 5.050473 65.23442 3.998217 -3.316486 
6.441507 
1 1 1 -2  31  12 f 23.58938 5.778221  119.2734       70.03834 108.0384       
101.5152 129.4794       96.75452 22.97574 8.248742 24.20302 8.093801 -1.227278 
11.55644 
1 1 1 -2  31  13 o 96.53409 2.837174  1991.964       114.7223 2062.499       
169.1212 1931.843       156.1389 98.06638 4.107703 95.00181 3.914716 3.064568 
5.674348 
1 1 1 -2  31  14 o 78.51765 2.973506  1276.640       95.39008 1530.627       
158.5798 1132.631       119.4089 84.29899 4.480709 72.73631 3.910268 11.56268 
5.947011 
1 1 1 -2  31  15 o 51.71038 3.776715  577.6408       81.41232 622.7885       
124.2695 543.6943       107.7569 53.39283 5.543736 50.02794 5.130427 3.364899 
7.553429 
1 1 1 -2  31  16 o 73.36920 3.092160  1156.953       94.70315 1182.755       
142.3435 1136.461       126.8521 74.01070 4.581039 72.72770 4.154501 1.283005 
6.184319 
1 1 1 -2  31  17 o 38.65639 5.089705  348.2549       79.37500 295.8026       
119.3849 389.8111       106.2637 35.28192 8.207094 42.03086 6.021958 -6.748940 
10.17941 
1 1 1 -2  31  18 o 92.58763 3.041158  1872.078       115.6136 1717.644       
178.8070 1983.027       151.5562 88.97137 4.786911 96.20389 3.752339 -7.232513 
6.082316 
1 1 1 -2  31  19 o 45.29057 4.292316  443.3455       80.24665 520.5191       
128.6371 394.1802       102.6741 48.32326 6.340609 42.25789 5.787278 6.065372 
8.584632 
1 1 1 -2  31  20 o 52.82119 3.692436  597.4371       80.75886 755.1298       
124.4348 482.6782       106.1522 58.78101 5.042265 46.86137 5.395543 11.91965 
7.384871 
1 1 1 -2  31  21 o 34.08414 6.365074  288.9862       92.53391 267.2810       
138.2482 306.6024       124.5470 32.68519 9.506562 35.48309 8.466518 -2.797894 
12.73015 
1 1 1 -2  31  22 o 22.83303 6.437370  73.85319       99.08910 159.2625       
136.1874 -22.22492      144.4430 26.36460 9.545293 19.30145 8.639811 7.063148 
12.87474 
1 1 1 -2  31  23 o 29.04871 6.538082  201.5860       94.93259 111.1567       
131.2479 300.8049       137.4787 23.66027 9.199198 34.43716 9.293053 -10.77688 
13.07616 
1 1 1 -2  31  24 o 23.73759 6.301663  110.4956       92.58522 191.1557       
122.4907 2.997732       141.4079 27.74268 9.106854 19.73249 8.712580 8.010193 
12.60333 
1 1 1 -2  31  25 o 62.63687 4.081601  896.1183       105.3357 975.5366       
140.9788 795.7477       158.4880 66.31767 5.063438 58.95606 6.403081 7.361610 
8.163201 
1 1 1 -2  31  26 o 37.14735 6.477942  354.0013       99.00484 333.4515       
127.9071 384.7148       156.3711 36.25532 8.534998 38.03938 9.747241 -1.784061 
12.95588 
1 1 1 -2  31  27 o 71.78870 4.132248  1127.250       118.9142 1017.853       
145.2100 1349.982       207.1968 67.38856 5.132530 76.18884 6.477580 -8.800278 
8.264497 
1 1 1 -2  31  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  31  29 o 30.58404 6.807405  264.5529       97.26308 263.6244       
131.5163 265.6739       144.5002 30.73223 9.355547 30.43585 9.891248 0.2963772 
13.61481 
1 1 1 -2  31  30 o 19.07723 5.212680  -6.153805      70.63001 197.7405       
113.4636 -135.1453      90.24732 26.59246 8.764862 11.56201 5.644940 15.03044 
10.42536 
1 1 1 -2  31  31 o 70.88762 3.754169  1162.981       108.8640 1109.193       
138.1623 1251.061       176.7995 69.51844 4.733809 72.25681 5.828052 -2.738365 
7.508337 
1 1 1 -2  32  1  o 38.16003 5.589391  378.9915       86.42358 246.6635       
135.2133 470.3912       112.3741 30.73144 9.512808 45.58861 5.871257 -14.85716 
11.17878 
1 1 1 -2  32  2  o 49.84889 4.252016  551.1879       88.06151 671.0214       
135.0348 462.5117       116.1609 54.54111 5.897159 45.15667 6.127160 9.384438 
8.504032 
1 1 1 -2  32  3  o 16.57652 5.300549  -32.41396      77.93572 -26.55730      
119.5044 -36.74829      102.8063 17.37333 7.814939 15.77971 7.163100 1.593622 
10.60110 
1 1 1 -2  32  4  o 26.33557 4.756488  144.9398       78.67239 -147.3005      
127.9235 322.7051       99.77088 14.88295 7.137756 37.78820 6.288813 -22.90525 
9.512977 
1 1 1 -2  32  5  o 43.07456 5.415129  433.4020       94.48060 456.2584       
147.1342 417.3644       123.2482 43.38565 8.376686 42.76347 6.864810 0.6221809 
10.83026 
1 1 1 -2  32  6  o 45.26129 5.219493  492.2130       90.12000 425.4328       
150.6683 529.4138       112.4539 41.59033 8.888666 48.93225 5.473943 -7.341927 
10.43899 
1 1 1 -2  32  7  o 100.6608 2.857767  2165.688       119.7464 2034.626       
157.6082 2344.652       184.1720 97.21262 3.861687 104.1089 4.213633 -6.896286 
5.715534 
1 1 1 -2  32  8  o 78.70760 2.886398  1335.204       94.76506 1143.037       
131.2335 1544.594       136.9877 72.67797 4.300936 84.73723 3.850600 -12.05926 
5.772795 
1 1 1 -2  32  9  o 24.67799 5.793381  135.9084       71.18930 179.9059       
104.2146 97.41631       97.47661 27.44610 8.322657 21.90989 8.061418 5.536211 
11.58676 
1 1 1 -2  32  10 o 47.07171 3.899913  484.1420       76.16105 594.8149       
112.6247 390.8858       103.3837 52.13468 5.145505 42.00875 5.861831 10.12593 
7.799826 
1 1 1 -2  32  11 o 96.60303 2.913933  2010.375       117.9912 1859.052       
164.5386 2170.568       169.2926 92.79965 4.223207 100.4064 4.016037 -7.606743 
5.827867 
1 1 1 -2  32  12 o 61.36417 3.375773  829.5347       85.50781 673.5361       
122.5947 977.3212       119.3242 55.43941 5.267131 67.28893 4.223826 -11.84952 
6.751546 
1 1 1 -2  32  13 o 49.53625 3.833194  543.4898       78.73281 453.0360       
111.9954 631.8726       110.7059 45.22363 5.898691 53.84887 4.896831 -8.625240 
7.666389 
1 1 1 -2  32  14 o 75.59396 3.171113  1247.749       99.74648 1135.219       
146.4998 1344.996       136.1895 72.20151 4.832946 78.98642 4.106881 -6.784912 
6.342227 
1 1 1 -2  32  15 o 78.93451 3.137142  1352.953       103.1555 1321.324       
154.6956 1378.279       138.4246 77.93603 4.727817 79.93299 4.124852 -1.996964 
6.274285 
1 1 1 -2  32  16 o 52.13911 3.782378  593.6114       82.07641 628.6498       
125.9118 567.7222       108.2313 53.34404 5.622139 50.93417 5.061331 2.409866 
7.564755 
1 1 1 -2  32  17 o 68.00889 3.279734  990.7529       92.83549 1133.264       
143.2158 887.4742       121.9190 72.11224 4.730454 63.90553 4.544165 8.206715 
6.559469 
1 1 1 -2  32  18 o 40.28281 4.969662  368.2001       81.59995 442.5040       
124.4780 312.2082       108.0561 44.19492 6.708745 36.37069 7.333682 7.824230 
9.939323 
1 1 1 -2  32  19 o 42.01887 4.537691  395.4198       77.24028 493.4876       
117.3400 320.4348       102.6053 46.98822 5.948101 37.04952 6.854390 9.938698 
9.075382 
1 1 1 -2  32  20 o 73.24240 3.571649  1149.039       104.8288 1290.019       
180.9718 1077.847       128.6012 76.09190 5.664918 70.39291 4.351483 5.698990 
7.143298 
1 1 1 -2  32  21 o 61.56874 3.973027  853.9650       101.5486 748.6879       
147.7278 948.2742       139.8209 57.60297 6.108554 65.53452 5.081863 -7.931545 
7.946054 
1 1 1 -2  32  22 o 29.10108 6.492393  212.8107       93.85475 291.5870       
129.6203 125.9918       136.0763 33.86395 8.971970 24.33820 9.386610 9.525753 
12.98479 
1 1 1 -2  32  23 o 42.18873 5.881986  436.4741       99.65073 410.8186       
131.3856 471.2216       152.9044 41.00441 7.914467 43.37305 8.703577 -2.368641 
11.76397 
1 1 1 -2  32  24 o 48.57369 5.112788  556.5546       103.7729 555.5809       
140.4245 557.7264       154.0315 48.79860 6.854195 48.34879 7.588309 0.4498024 
10.22558 
1 1 1 -2  32  25 o 58.72137 4.554118  771.5075       110.2070 619.7158       
141.8958 1002.279       174.9593 51.60331 6.549573 65.83942 6.329538 -14.23610 
9.108236 
1 1 1 -2  32  26 o 20.26675 6.106690  48.71463       92.05489 77.02930       
125.9683 16.26339       134.8562 21.21324 8.748520 19.32026 8.522328 1.892975 
12.21338 
1 1 1 -2  32  27 o 43.24060 5.759183  466.3158       105.7960 871.2354       
162.8084 170.3611       139.1890 60.85194 6.372699 25.62926 9.594867 35.22268 
11.51837 
1 1 1 -2  32  28 o 18.27138 5.823524  -11.69956      95.07243 -67.08492      
128.9637 54.23277       140.7081 16.14960 7.566996 20.39316 8.854056 -4.243559 
11.64705 
1 1 1 -2  32  29 o 41.49967 5.982491  490.8236       103.6096 682.2404       
143.3730 281.5908       149.8968 52.90247 6.455241 30.09688 10.07426 22.80559 
11.96498 
1 1 1 -2  32  30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -2  33  1  o 74.44255 3.740193  1252.148       115.2626 1254.336       
177.9738 1250.568       151.2734 74.04337 5.725204 74.84174 4.814375 
-0.7983627     7.480386 
1 1 1 -2  33  2  o 51.77348 4.046657  616.2323       86.24760 571.7112       
132.1972 649.2266       113.8040 49.66983 6.339436 53.87713 5.031231 -4.207298 
8.093314 
1 1 1 -2  33  3  o 25.03905 6.173434  132.7493       82.57819 243.1265       
130.6524 59.32355       106.5619 30.36598 9.341161 19.71211 8.073899 10.65387 
12.34687 
1 1 1 -2  33  4  o 41.23553 5.639583  441.6938       90.28616 322.8258       
147.7326 512.5591       114.0671 34.83775 9.730636 47.63330 5.703885 -12.79555 
11.27917 
1 1 1 -2  33  5  o 26.23608 6.513832  166.3836       85.75386 169.0050       
149.3511 165.0944       104.7399 26.56259 9.940008 25.90958 8.421179 0.6530094 
13.02766 
1 1 1 -2  33  6  o 43.10348 5.609524  467.0220       94.40546 371.3912       
150.9832 528.4113       120.9694 37.85563 9.505521 48.35133 5.959206 -10.49570 
11.21905 
1 1 1 -2  33  7  f 27.36488 6.333914  192.4825       87.71790 96.55522       
156.1704 236.6943       106.0222 23.76989 9.761467 30.95987 8.073885 -7.189974 
12.66783 
1 1 1 -2  33  8  o 25.89437 5.824989  165.0685       74.62778 98.97157       
117.6559 209.5612       96.53103 22.46889 8.715224 29.31985 7.730904 -6.850965 
11.64998 
1 1 1 -2  33  9  o 43.03387 4.424879  415.5487       79.41604 449.3633       
120.9370 389.9123       105.3018 44.44715 6.480917 41.62058 6.026270 2.826576 
8.849758 
1 1 1 -2  33  10 o 53.53209 3.917180  661.9711       84.04550 482.6268       
124.9893 809.9876       113.5492 46.10792 6.456815 60.95625 4.436973 -14.84833 
7.834359 
1 1 1 -2  33  11 o 25.09123 5.867924  149.6826       74.17249 100.7863       
112.9595 186.7446       98.34412 22.47206 8.582314 27.71040 8.004626 -5.238331 
11.73585 
1 1 1 -2  33  12 o 32.07876 5.505445  243.3322       73.72147 317.3028       
112.4111 187.5071       97.65504 36.37769 7.606815 27.77983 7.960907 8.597853 
11.01089 
1 1 1 -2  33  13 o 46.67406 4.240398  486.2971       82.71814 515.6835       
124.1943 462.8677       110.8944 47.83931 6.183549 45.50882 5.804105 2.330494 
8.480797 
1 1 1 -2  33  14 o 76.84990 3.123810  1291.962       99.65374 1245.300       
150.9626 1327.999       132.6668 75.38338 4.769960 78.31642 4.034878 -2.933037 
6.247621 
1 1 1 -2  33  15 o 74.08680 3.198064  1206.160       98.61302 1118.119       
145.7251 1280.535       133.9389 71.35275 4.864575 76.82085 4.152873 -5.468109 
6.396127 
1 1 1 -2  33  16 o 17.80792 5.452936  2.061272       77.99786 -75.15715      
123.8945 52.75869       100.3886 16.27709 7.555480 19.33876 7.864653 -3.061670 
10.90587 
1 1 1 -2  33  17 o 40.58530 5.106455  380.5726       82.90926 415.4908       
134.6852 359.2676       105.2047 41.37204 8.041118 39.79857 6.296345 1.573475 
10.21291 
1 1 1 -2  33  18 o 49.11464 4.002160  518.4361       80.82796 667.4178       
130.8970 426.6208       102.7592 54.55716 5.714772 43.67211 5.604508 10.88505 
8.004319 
1 1 1 -2  33  19 o 61.87668 3.748144  841.8317       95.48524 906.8327       
152.6808 800.0786       122.3681 63.51917 5.725333 60.23419 4.838895 3.284977 
7.496289 
1 1 1 -2  33  20 o 33.05744 6.250196  273.6995       88.82375 341.6742       
134.2375 220.7583       118.4669 36.66388 8.816049 29.45100 8.862116 7.212879 
12.50039 
1 1 1 -2  33  21 o 70.49908 3.778177  1107.777       111.2400 1162.302       
167.4902 1064.744       148.7977 71.86932 5.550944 69.12885 5.126938 2.740471 
7.556353 
1 1 1 -2  33  22 o 25.10281 6.419826  151.9541       87.04567 169.2115       
126.3630 136.3704       120.0796 26.04875 9.217874 24.15687 8.937979 1.891872 
12.83965 
1 1 1 -2  33  23 f 69.90268 3.805869  1100.612       111.5945 1059.149       
153.9259 1146.550       162.0221 68.54752 5.348612 71.25784 5.415801 -2.710327 
7.611737 
1 1 1 -2  33  24 o 15.09113 5.035257  -171.4303      93.39776 7.635687       
121.5907 -429.1394      145.8676 18.26779 8.070754 11.91447 6.023138 6.353318 
10.07051 
1 1 1 -2  33  25 o 47.44300 5.329978  565.7668       99.39388 722.1536       
139.4090 404.0870       141.7485 55.80944 5.949826 39.07656 8.845011 16.73289 
10.65996 
1 1 1 -2  33  26 o 37.10582 5.889774  356.9144       100.7606 613.8403       
150.2493 146.9276       135.8328 50.07515 7.146796 24.13649 9.363816 25.93866 
11.77955 
1 1 1 -2  33  27 o 27.88556 6.698234  226.7057       95.94594 280.1237       
134.9379 172.0831       136.4509 30.88255 9.491710 24.88857 9.453719 5.993977 
13.39647 
1 1 1 -2  33  28 o 30.98162 6.122996  274.6200       97.52382 456.1353       
138.2598 94.88074       137.5817 40.82331 8.355122 21.13992 8.953003 19.68339 
12.24599 
1 1 1 -2  33  29 o 40.16228 5.731629  437.7588       101.9004 777.5343       
154.5128 176.2322       135.5584 55.88039 6.586067 24.44416 9.382431 31.43623 
11.46326 
1 1 1 -2  34  1  o 37.76202 6.251134  368.3186       95.69233 533.8631       
159.6339 275.4666       119.5537 44.09768 8.934205 31.42636 8.745668 12.67132 
12.50227 
1 1 1 -2  34  2  o 25.27398 6.508675  156.5620       89.05651 244.0305       
143.4852 101.7526       113.5817 29.06898 9.856446 21.47898 8.503049 7.589998 
13.01735 
1 1 1 -2  34  3  o 38.82262 6.051334  387.0501       90.94467 421.4690       
161.0692 370.9415       110.1901 38.77306 9.867361 38.87218 7.007834 
-0.9912109E-01 12.10267 
1 1 1 -2  34  4  o 53.80806 5.142962  722.3704       100.2380 640.5554       
180.4686 758.8713       120.5418 49.47403 9.022998 58.14208 4.938195 -8.668045 
10.28592 
1 1 1 -2  34  5  o 20.36022 6.018088  58.24033       81.29652 86.72517       
142.9102 44.61236       98.84899 22.26737 9.259896 18.45307 7.689205 3.814304 
12.03618 
1 1 1 -2  34  6  o 23.52846 6.583047  118.0344       91.45677 110.6563       
169.0357 121.0882       108.7489 24.11897 10.05291 22.93795 8.502066 1.181019 
13.16609 
1 1 1 -2  34  7  o 56.24742 5.095716  745.3914       113.1914 765.4096       
195.5910 735.3112       138.7948 55.68001 8.367018 56.81484 5.818787 -1.134830 
10.19143 
1 1 1 -2  34  8  o 38.88619 5.686731  370.3159       87.44973 402.2073       
143.2431 351.3674       110.4139 39.60364 8.841269 38.16875 7.154551 1.434895 
11.37346 
1 1 1 -2  34  9  o 28.84097 6.342190  217.6133       87.27211 161.6384       
134.4441 258.3759       114.7298 25.80425 9.470037 31.87769 8.438713 -6.073433 
12.68438 
1 1 1 -2  34  10 o 58.58302 3.856876  764.8743       91.53046 793.3023       
151.3206 748.4719       114.9420 58.94439 6.114723 58.22165 4.702354 0.7227325 
7.713752 
1 1 1 -2  34  11 o 37.23463 5.078440  333.4927       76.41872 325.5670       
109.6134 340.9878       106.5945 36.66887 7.379400 37.80040 6.979015 -1.131531 
10.15688 
1 1 1 -2  34  12 o 30.92495 5.682907  242.3886       73.97036 215.6331       
118.8708 259.2960       94.49476 29.04133 8.905241 32.80857 7.062466 -3.767241 
11.36581 
1 1 1 -2  34  13 f 46.94068 4.376004  507.1373       83.40860 483.9807       
133.7711 521.8662       106.6866 45.52835 6.998443 48.35302 5.255420 -2.824669 
8.752007 
1 1 1 -2  34  14 o 63.64403 3.471496  897.6587       92.30006 894.5583       
137.2009 900.2219       124.7497 63.37088 5.156897 63.91717 4.648822 
-0.5462837     6.942991 
1 1 1 -2  34  15 o 75.87309 3.263897  1270.874       103.5795 1229.988       
151.5289 1306.734       141.9108 74.54601 4.841636 77.20016 4.378430 -2.654160 
6.527793 
1 1 1 -2  34  16 o 37.01735 5.698013  345.4729       87.70076 267.2562       
130.3084 410.2383       118.5754 32.00316 9.204185 42.03153 6.719553 -10.02837 
11.39603 
1 1 1 -2  34  17 o 31.59621 5.677366  247.7379       75.03069 274.2884       
114.0245 227.4627       99.64258 32.96429 8.250489 30.22814 7.801242 2.736151 
11.35473 
1 1 1 -2  34  18 o 19.58857 5.637971  54.99103       72.82488 94.19492       
111.0077 25.37008       96.49121 21.63721 8.450403 17.53992 7.465760 4.097282 
11.27594 
1 1 1 -2  34  19 o 45.18826 5.334844  489.1353       91.81565 508.8733       
161.4552 479.7013       111.6216 44.48150 8.960099 45.89501 5.793002 -1.413513 
10.66969 
1 1 1 -2  34  20 f 87.74111 3.645142  1715.186       133.6374 1865.146       
201.3467 1597.111       178.6637 91.01489 5.269302 84.46733 5.038123 6.547562 
7.290283 
1 1 1 -2  34  21 o 32.61675 6.311267  285.0179       89.86012 242.9528       
133.7486 319.6291       121.3212 29.95273 9.495284 35.28077 8.316729 -5.328043 
12.62253 
1 1 1 -2  34  22 o 41.54375 5.381719  427.3660       91.57481 444.6479       
126.6977 408.4621       132.5104 43.08478 7.004321 40.00271 8.172581 3.082073 
10.76344 
1 1 1 -2  34  23 o 24.07138 6.436919  139.3626       92.23959 79.42786       
132.2887 196.0713       128.6792 21.25505 8.878437 26.88770 9.322503 -5.632656 
12.87384 
1 1 1 -2  34  24 o 22.43627 6.265693  117.1267       87.21114 127.5375       
124.0059 106.9382       122.6752 22.94170 8.937274 21.93084 8.784121 1.010857 
12.53139 
1 1 1 -2  34  25 o 33.04796 6.419823  324.9148       98.40845 419.9938       
131.7109 204.7658       148.0605 39.69176 8.183531 26.40416 9.893752 13.28760 
12.83965 
1 1 1 -2  34  26 f 33.38999 5.792251  314.0161       99.58256 534.0850       
139.9839 88.53838       141.6937 45.74169 7.289319 21.03829 9.003695 24.70340 
11.58450 
1 1 1 -2  34  27 o 30.02932 5.980897  264.0225       103.4347 466.9471       
138.2650 6.132978       155.8697 41.23132 8.278920 18.82733 8.633887 22.40399 
11.96179 
1 1 1 -2  35  2  o 53.47638 5.021117  697.3693       104.1382 817.8665       
190.8329 646.2688       124.2732 54.93254 8.274555 52.02022 5.690183 2.912323 
10.04223 
1 1 1 -2  35  3  o 15.84781 5.220072  -61.62045      89.53549 -280.6425      
168.3512 24.76412       105.7281 14.44429 7.177544 17.25133 7.581522 -2.807036 
10.44014 
1 1 1 -2  35  4  o 27.50630 6.080451  230.0600       92.41422 50.68621       
163.0755 314.9158       112.1631 20.66694 9.217419 34.34566 7.932638 -13.67871 
12.16090 
1 1 1 -2  35  5  o 57.25959 4.766176  798.2131       105.0620 793.7798       
187.2320 800.2504       126.9284 55.46024 8.041174 59.05894 5.119109 -3.598698 
9.532352 
1 1 1 -2  35  6  o 19.37031 5.913697  41.40395       89.92782 -87.95306      
171.2636 90.64615       105.6669 18.07076 8.527634 20.66986 8.195531 -2.599100 
11.82739 
1 1 1 -2  35  7  o 22.35810 6.301693  108.0187       93.66587 -0.8756218E-01 
165.9250 158.5816       113.4755 19.99887 9.084141 24.71734 8.736345 -4.718473 
12.60339 
1 1 1 -2  35  8  o 85.88290 4.354473  1741.116       154.2208 1426.500       
220.8210 2040.694       215.4795 77.25066 6.808621 94.51514 5.430323 -17.26448 
8.708945 
1 1 1 -2  35  9  o 49.45687 4.520562  582.0896       91.95809 508.5036       
137.4976 641.6405       123.6920 45.95114 7.127216 52.96260 5.562797 -7.011463 
9.041124 
1 1 1 -2  35  10 o 54.10645 4.497915  674.8179       101.0925 756.0306       
157.4106 617.8083       131.8852 56.60098 6.624166 51.61192 6.086492 4.989059 
8.995830 
1 1 1 -2  35  11 o 43.89643 5.417736  473.7083       97.09436 479.4105       
145.2454 469.1015       130.5513 43.45398 8.259672 44.33887 7.013220 
-0.8848953     10.83547 
1 1 1 -2  35  12 o 72.29869 3.641496  1149.575       107.3439 1295.257       
177.8005 1066.020       134.6532 75.34779 5.620611 69.24959 4.631490 6.098198 
7.282991 
1 1 1 -2  35  13 o 43.86420 4.611749  451.9641       81.61909 557.6304       
119.6940 360.1288       111.5857 49.33667 5.778613 38.39173 7.188920 10.94495 
9.223498 
1 1 1 -2  35  14 o 19.91840 5.754524  62.12694       77.03225 98.32183       
111.5195 29.09731       106.5317 21.65402 8.467220 18.18278 7.795150 3.471243 
11.50905 
1 1 1 -2  35  15 o 25.60530 5.388033  146.8475       77.18312 -10.52449      
110.9586 294.3791       107.4335 16.94123 7.578164 34.26938 7.661269 -17.32815 
10.77607 
1 1 1 -2  35  16 o 57.44296 3.933808  753.2889       94.60424 742.3574       
138.2378 762.9187       129.7467 56.85943 5.790890 58.02650 5.325878 -1.167065 
7.867616 
1 1 1 -2  35  17 o 43.30931 4.709389  442.7642       82.29124 554.5122       
122.0592 349.6451       111.4217 48.99039 5.934451 37.62823 7.314074 11.36216 
9.418778 
1 1 1 -2  35  18 f 28.94233 6.208831  230.7371       83.07452 177.3737       
143.5278 257.6212       101.8736 26.05075 9.745124 31.83392 7.696161 -5.783167 
12.41766 
1 1 1 -2  35  19 o 28.55986 6.719051  217.8990       96.67663 303.0776       
144.0200 148.0366       130.4306 32.77181 9.753103 24.34790 9.244435 8.423910 
13.43810 
1 1 1 -2  35  20 o 70.20178 3.946384  1132.704       115.9384 1081.874       
156.6224 1194.319       172.4398 68.62953 5.435805 71.77404 5.722569 -3.144508 
7.892767 
1 1 1 -2  35  21 o 44.10248 5.246850  489.0579       94.39037 512.9268       
129.5288 462.0299       137.8343 46.05649 6.698792 42.14846 8.077373 3.908028 
10.49370 
1 1 1 -2  35  22 o 17.84312 5.625401  12.31698       85.53851 31.29603       
119.5698 -7.577655      122.4200 18.42907 8.081032 17.25716 7.827991 1.171907 
11.25080 
1 1 1 -2  35  23 o 31.92239 6.231427  296.8881       93.82323 171.3132       
134.4721 416.0063       130.9694 24.59984 9.372965 39.24493 8.214028 -14.64509 
12.46285 
1 1 1 -2  35  24 o 20.19836 5.946066  75.39474       85.73741 141.1226       
124.6759 16.42388       118.0937 22.86782 8.950524 17.52891 7.830129 5.338909 
11.89213 
1 1 1 -2  35  25 o 30.77995 6.011244  262.6643       88.43497 427.8591       
132.5132 130.0074       118.7479 39.38777 8.276016 22.17212 8.720538 17.21564 
12.02249 
1 1 1 -2  36  6  o 27.53554 6.667392  161.0713       91.38650 440.9349       
176.0232 57.80112       106.9262 36.52376 10.76053 18.54733 7.875753 17.97643 
13.33478 
1 1 1 -2  36  7  o 15.29327 5.267074  -134.4398      98.34817 -136.1903      
179.3932 -133.6876      117.5950 16.99354 8.218157 13.59301 6.590158 3.400533 
10.53415 
1 1 1 -2  36  8  o 21.51418 6.413046  101.5225       99.09447 52.87634       
168.4937 127.2457       122.5243 20.71718 9.300989 22.31119 8.831776 -1.594004 
12.82609 
1 1 1 -2  36  9  o 19.96988 5.925692  60.69128       85.99653 138.4924       
127.7671 -3.746908      116.2780 23.02373 9.048777 16.91602 7.653427 6.107710 
11.85138 
1 1 1 -2  36  10 o 28.30070 6.289983  214.5269       89.13968 345.6349       
134.8217 112.7025       118.8151 34.83628 9.113906 21.76513 8.671347 13.07115 
12.57997 
1 1 1 -2  36  11 o 33.54939 6.470225  326.3183       95.83391 260.6888       
141.2624 382.2793       130.4425 29.54375 9.779804 37.55504 8.474119 -8.011290 
12.94045 
1 1 1 -2  36  12 o 17.95433 5.654641  -24.08256      93.77136 -161.6688      
137.9178 94.19829       127.8763 14.61908 7.103028 21.28957 8.800389 -6.670490 
11.30928 
1 1 1 -2  36  13 o 25.22497 6.694021  174.6013       95.04096 180.3762       
150.6562 170.7838       122.4901 25.44503 9.863574 25.00490 9.052602 0.4401321 
13.38804 
1 1 1 -2  36  14 o 35.92830 6.541809  376.4806       104.1906 257.0797       
152.2562 481.6363       142.8853 29.18044 10.13842 42.67616 8.270036 -13.49571 
13.08362 
1 1 1 -2  36  15 o 48.74120 4.319672  544.6715       86.71979 709.9712       
137.9332 436.6247       111.5164 54.73380 6.002531 42.74862 6.213524 11.98518 
8.639343 
1 1 1 -2  36  16 o 33.29760 6.086804  317.9022       91.10278 200.7931       
135.0822 415.6125       123.3880 26.44236 9.513088 40.15285 7.595912 -13.71049 
12.17361 
1 1 1 -2  36  17 o 26.34066 6.635194  193.0391       90.11791 236.5625       
149.0269 167.9490       113.1500 27.95625 9.998573 24.72506 8.725349 3.231188 
13.27039 
1 1 1 -2  36  18 o 27.70561 6.667902  226.4881       98.28197 141.3563       
143.2534 302.1926       135.0890 23.36885 9.437302 32.04237 9.422366 -8.673519 
13.33580 
1 1 1 -2  36  19 o 25.38849 6.578100  181.2438       93.85294 122.8666       
128.8350 247.2518       136.9968 22.23886 8.962651 28.53812 9.631018 -6.299253 
13.15620 
1 1 1 -2  36  20 o 58.54625 4.394626  839.5493       106.6080 946.2411       
148.0699 724.7155       153.6160 63.21904 5.578791 53.87346 6.791762 9.345573 
8.789251 
1 1 1 -2  36  21 o 48.26239 4.939213  585.2388       99.35036 552.8306       
131.6287 628.1439       151.4531 47.10040 6.656516 49.42437 7.298910 -2.323971 
9.878426 
1 1 1 -2  36  22 o 22.31496 6.144686  111.2908       96.34522 230.0087       
127.6472 -45.87951      146.8719 27.49359 9.296567 17.13632 8.037569 10.35727 
12.28937 
1 1 1 -2  37  13 o 41.80560 6.061536  485.6043       104.7434 605.7667       
152.8461 379.2086       143.8242 48.13255 7.563741 35.47865 9.474106 12.65390 
12.12307 
1 1 1 -2  37  14 o 37.84275 6.247042  429.1180       101.8961 307.1136       
156.0380 519.8267       134.5448 30.56828 10.27855 45.11722 7.103061 -14.54894 
12.49408 
1 1 1 -2  37  15 o 60.61517 4.966299  945.1489       121.7937 862.7616       
191.5454 1001.066       157.8018 56.71375 8.044600 64.51660 5.825882 -7.802856 
9.932598 
1 1 1 -1  -35 1  o 22.32746 5.486016  132.2472       64.92542 172.0785       
90.48608 89.98060       93.21135 25.00857 7.790186 19.64635 7.726479 5.362223 
10.97203 
1 1 1 -1  -34 1  o 36.09377 4.853330  322.3300       71.69756 268.7248       
100.5278 377.8271       102.2864 32.25064 7.550052 39.93689 6.100488 -7.686249 
9.706659 
1 1 1 -1  -34 2  f 50.17191 3.365388  573.9485       70.79050 550.2251       
97.04202 600.9319       103.4950 49.11152 4.706494 51.23230 4.811680 -2.120785 
6.730776 
1 1 1 -1  -34 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -33 1  f 21.60202 5.551655  101.8630       67.49558 147.0619       
94.88798 55.57096       96.02857 24.35132 8.015350 18.85272 7.683596 5.498602 
11.10331 
1 1 1 -1  -33 2  o 18.46117 5.145695  56.36282       60.88536 98.75459       
85.99077 13.74524       86.21951 20.81557 7.580053 16.10677 6.960999 4.708801 
10.29139 
1 1 1 -1  -33 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -33 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -32 1  o 27.15481 5.220660  179.3448       61.05726 181.7245       
87.61145 177.0976       85.13770 27.30772 7.440798 27.00190 7.325004 0.3058243 
10.44132 
1 1 1 -1  -32 2  o 21.87660 5.352236  108.9997       60.82388 136.8260       
85.36857 80.31023       86.68241 23.79775 7.590254 19.95544 7.548097 3.842312 
10.70447 
1 1 1 -1  -32 3  o 31.15932 5.380152  245.4047       67.37144 225.3434       
117.0328 255.3478       82.39269 29.42795 8.798875 32.89069 6.193862 -3.462746 
10.76030 
1 1 1 -1  -32 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 1  o 39.31264 3.778761  343.9461       61.77774 303.1792       
89.45792 381.1123       85.41602 36.90552 5.773624 41.71976 4.876617 -4.814240 
7.557521 
1 1 1 -1  -31 2  o 34.85110 4.380220  286.8042       60.87718 211.1925       
89.38050 352.2326       83.14407 29.68957 7.228309 40.01262 4.949431 -10.32305 
8.760441 
1 1 1 -1  -31 3  o 26.15360 4.964080  164.6100       56.41128 196.3914       
79.18952 131.8668       80.37896 28.75019 6.681884 23.55702 7.343076 5.193172 
9.928160 
1 1 1 -1  -31 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 1  o 80.17381 2.703555  1366.655       90.40853 1476.662       
137.6413 1283.177       119.9007 82.92976 3.953297 77.41786 3.688939 5.511902 
5.407109 
1 1 1 -1  -30 2  o 46.78490 3.235202  477.6108       62.65464 456.1758       
95.63705 493.7281       82.92951 45.71910 4.982526 47.85070 4.128021 -2.131599 
6.470404 
1 1 1 -1  -30 3  o 47.34966 2.987944  484.6132       59.35620 506.9617       
85.78115 464.0833       82.21694 48.39686 4.221781 46.30245 4.229397 2.094414 
5.975888 
1 1 1 -1  -30 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -30 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 1  o 50.79764 3.020026  553.9167       64.13467 616.6743       
91.28886 492.7524       90.12263 53.69617 4.049446 47.89911 4.481543 5.797062 
6.040053 
1 1 1 -1  -29 2  o 22.38062 4.953584  109.6738       52.12466 137.5435       
77.04671 86.15211       70.78193 24.50487 7.087147 20.25636 6.922741 4.248507 
9.907168 
1 1 1 -1  -29 3  o 60.93903 2.555578  794.1983       65.30826 785.0146       
94.31142 802.6591       90.52457 60.57136 3.708668 61.30669 3.517059 
-0.7353287     5.111157 
1 1 1 -1  -29 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 1  o 94.38065 2.757788  1893.833       108.9978 1909.703       
160.2316 1880.164       148.7052 94.70633 4.029862 94.05498 3.765871 0.6513519 
5.515576 
1 1 1 -1  -28 2  o 66.96406 2.471377  951.5494       69.41309 974.9207       
100.8334 930.4980       95.69768 67.73316 3.545881 66.19495 3.443480 1.538208 
4.942755 
1 1 1 -1  -28 3  o 51.84474 2.805046  582.4391       60.03989 476.5310       
86.68884 680.0760       83.23489 47.15141 4.379148 56.53808 3.506593 -9.386677 
5.610092 
1 1 1 -1  -28 4  o 47.62024 2.763509  486.0569       55.03675 470.6371       
80.67477 499.4809       75.27312 46.86803 4.099983 48.37244 3.706491 -1.504410 
5.527019 
1 1 1 -1  -28 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -28 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 1  o 129.4219 2.749308  3535.058       141.3993 3499.743       
173.5459 3604.798       243.8804 128.6724 3.212550 130.1713 4.462545 -1.498886 
5.498617 
1 1 1 -1  -27 2  o 53.90164 2.395496  614.7260       53.57641 612.6064       
70.53963 617.6156       82.36426 53.82642 3.121467 53.97687 3.634562 
-0.1504555     4.790992 
1 1 1 -1  -27 3  o 45.19794 2.965893  432.3728       55.92086 368.8431       
76.12610 506.8343       82.41594 41.58813 4.359988 48.80775 4.022013 -7.219627 
5.931786 
1 1 1 -1  -27 4  o 53.42786 2.643526  608.7453       58.66407 724.5106       
84.28214 499.9516       81.70493 58.42266 3.436175 48.43304 4.018163 9.989620 
5.287053 
1 1 1 -1  -27 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 1  o 44.44784 2.871446  400.1976       51.73707 353.6442       
63.90712 488.7375       88.13388 40.89176 3.722498 48.00392 4.373078 -7.112156 
5.742892 
1 1 1 -1  -26 2  o 51.54952 2.531135  541.5154       53.52636 471.0647       
67.47563 661.1005       87.91087 47.21058 3.404307 55.88846 3.746636 -8.677879 
5.062271 
1 1 1 -1  -26 3  o 28.54754 3.700781  180.3825       41.82391 190.2605       
53.34755 164.6274       67.37379 29.93119 4.245330 27.16389 6.063026 2.767309 
7.401562 
1 1 1 -1  -26 4  o 78.34914 2.402763  1243.261       69.76009 1184.394       
80.53580 1420.148       139.6045 74.93645 2.559864 81.76181 4.066961 -6.825356 
4.805525 
1 1 1 -1  -26 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 1  o 92.89450 2.349764  1819.221       89.48071 1817.157       
114.7517 1822.424       142.9272 92.87312 2.943000 92.91588 3.663920 
-0.4275513E-01 4.699528 
1 1 1 -1  -25 2  o 238.6770 3.766100  12140.48       336.0758 12170.03       
394.6053 12062.44       641.2817 239.9226 3.917533 237.4314 6.433271 2.491287 
7.532200 
1 1 1 -1  -25 3  o 33.93097 3.258526  241.9509       45.71447 231.2480       
59.13480 257.8466       72.06638 33.03436 4.263814 34.82758 4.928678 -1.793217 
6.517053 
1 1 1 -1  -25 4  f 135.1066 2.518706  3859.702       142.2390 3859.310       
192.3734 3860.175       211.2637 135.1449 3.390519 135.0682 3.725573 
0.7678223E-01  5.037411 
1 1 1 -1  -25 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 1  o 50.14764 2.951139  563.3173       57.40411 636.4910       
71.87521 434.4298       95.39085 54.98116 3.113768 45.31413 5.014112 9.667023 
5.902277 
1 1 1 -1  -24 2  o 75.74231 2.543334  1134.661       73.89528 1037.054       
86.60159 1396.014       141.7097 70.18086 2.939194 81.30376 4.151547 -11.12289 
5.086669 
1 1 1 -1  -24 3  o 132.8379 3.139947  3645.280       154.3580 3550.730       
178.8833 3920.921       305.4303 129.7793 3.283110 135.8965 5.353342 -6.117218 
6.279895 
1 1 1 -1  -24 4  o 143.2957 3.148858  4291.317       168.0812 4224.924       
196.0050 4475.814       326.7361 141.5182 3.298951 145.0731 5.364526 -3.554840 
6.297715 
1 1 1 -1  -24 5  o 21.96364 3.840261  113.4813       39.90809 167.2112       
50.71441 26.09895       64.67484 28.08948 4.300399 15.83780 6.363724 12.25169 
7.680522 
1 1 1 -1  -24 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 1  o 143.0881 3.385284  4268.138       179.9742 4204.458       
209.5547 4447.146       351.3460 141.2835 3.532864 144.8927 5.775765 -3.609207 
6.770568 
1 1 1 -1  -23 2  o 77.82753 2.545914  1273.279       77.63750 1268.148       
94.10480 1284.215       137.3831 77.63337 2.887250 78.02170 4.194103 
-0.3883286     5.091828 
1 1 1 -1  -23 3  o 72.71449 2.468126  1112.465       70.30253 1109.696       
85.22719 1118.361       124.3627 72.62113 2.795350 72.80785 4.068488 
-0.1867142     4.936251 
1 1 1 -1  -23 4  o 141.7047 2.112078  4197.057       121.5193 4109.344       
152.7029 4348.526       200.6679 139.7525 2.602607 143.6569 3.327151 -3.904404 
4.224156 
1 1 1 -1  -23 5  o 122.6194 2.168729  3148.093       107.8581 3244.166       
178.3464 3092.692       135.4316 124.0291 3.425011 121.2097 2.661360 2.819374 
4.337457 
1 1 1 -1  -23 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 1  o 104.1369 2.690439  2232.998       110.5039 2138.668       
133.6019 2437.290       196.6140 100.7992 3.157015 107.4747 4.357419 -6.675499 
5.380878 
1 1 1 -1  -22 2  o 102.9014 1.896122  2249.188       80.08163 2341.803       
104.1353 2115.148       125.2782 105.5426 2.350127 100.2601 2.976242 5.282478 
3.792243 
1 1 1 -1  -22 3  o 38.64149 2.527966  317.4957       40.59629 343.7106       
55.20437 286.6242       59.90719 40.40630 3.254209 36.87668 3.869441 3.529621 
5.055933 
1 1 1 -1  -22 4  o 93.35989 1.814031  1820.275       70.63586 1940.140       
107.4286 1728.989       93.75089 96.04170 2.664288 90.67809 2.462601 5.363609 
3.628062 
1 1 1 -1  -22 5  o 198.7740 1.849791  8315.593       152.9464 8278.905       
232.3490 8343.646       203.1728 198.3587 2.790042 199.1893 2.429521 
-0.8306427     3.699582 
1 1 1 -1  -22 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -22 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 1  o 125.7775 2.031086  3309.769       106.8814 3545.272       
159.4802 3117.746       144.0074 129.8117 2.926267 121.7433 2.817481 8.068459 
4.062171 
1 1 1 -1  -21 2  f 143.6993 2.060165  4345.025       123.4263 4347.251       
165.1380 4342.207       185.7824 143.7606 2.736075 143.6380 3.080749 0.1226349 
4.120330 
1 1 1 -1  -21 3  o 88.44469 1.949283  1647.245       72.30142 1699.117       
101.0073 1592.740       103.5390 89.87938 2.676786 87.00999 2.834367 2.869392 
3.898566 
1 1 1 -1  -21 4  o 124.1214 1.962247  3185.180       100.8961 3575.499       
159.0772 2922.480       130.5051 130.3616 2.906560 117.8812 2.636962 12.48041 
3.924495 
1 1 1 -1  -21 5  o 33.72001 2.522850  248.0772       34.13710 323.6785       
47.58500 167.9116       49.00040 39.22304 2.889681 28.21699 4.136282 11.00605 
5.045700 
1 1 1 -1  -21 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -21 19 o 20.28185 4.911649  91.06845       46.71212 83.53172       
93.15375 93.60020       53.99087 20.47281 7.800990 20.09088 5.970070 0.3819313 
9.823298 
1 1 1 -1  -21 20 o 22.93327 5.127307  104.3677       50.33658 193.6283       
100.0700 74.13253       58.24116 27.59285 8.108277 18.27368 6.277974 9.319168 
10.25461 
1 1 1 -1  -21 21 f 58.55148 3.172197  804.1595       69.97192 663.9954       
123.7373 870.0513       84.83949 53.73708 5.484633 63.36589 3.189066 -9.628815 
6.344395 
1 1 1 -1  -21 22 o 22.89918 5.431405  117.8688       56.34258 206.1224       
109.2540 85.89426       65.76178 26.91281 8.586987 18.88555 6.653141 8.027258 
10.86281 
1 1 1 -1  -20 1  o 206.7998 2.325845  9061.871       199.6276 9482.384       
266.7914 8526.925       300.9100 212.3310 2.992812 201.2686 3.561080 11.06239 
4.651689 
1 1 1 -1  -20 2  f 94.52748 1.749389  1886.595       68.92947 1956.555       
93.13976 1801.879       102.4919 96.48274 2.299358 92.57221 2.637121 3.910530 
3.498779 
1 1 1 -1  -20 3  o 51.10368 2.057103  544.1470       43.63315 516.7346       
56.95507 583.0932       67.88784 49.56694 2.736915 52.64040 3.071806 -3.073460 
4.114207 
1 1 1 -1  -20 4  o 145.4084 2.141531  4444.167       129.6884 4408.130       
172.4910 4491.029       196.6981 144.7531 2.838309 146.0637 3.207590 -1.310577 
4.283063 
1 1 1 -1  -20 5  o 172.3575 1.632546  6198.321       115.0352 6447.607       
186.8028 6046.037       146.0033 175.1015 2.541058 169.6135 2.050328 5.488068 
3.265091 
1 1 1 -1  -20 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -20 16 o 29.21181 4.365202  225.4527       48.00498 112.0079       
91.39668 268.6724       56.41302 22.94358 7.866207 35.48005 3.787182 -12.53647 
8.730404 
1 1 1 -1  -20 17 o 34.13876 4.295461  289.9539       52.11159 200.3232       
95.94040 327.4644       62.06531 29.16914 7.714596 39.10839 3.780072 -9.939253 
8.590921 
1 1 1 -1  -20 18 o 54.98756 3.288540  656.4774       65.46902 658.8654       
131.0067 655.6824       75.58392 54.56818 5.718410 55.40695 3.249273 
-0.8387756     6.577081 
1 1 1 -1  -20 19 o 21.32513 5.038467  102.6907       48.99524 80.68944       
102.5991 109.1901       55.76452 20.94538 8.135555 21.70487 5.946205 
-0.7594891     10.07693 
1 1 1 -1  -20 20 o 37.08435 4.315804  335.8993       56.85417 272.8187       
105.4003 361.7856       67.51939 33.36152 7.679369 40.80719 3.941058 -7.445671 
8.631608 
1 1 1 -1  -20 21 o 47.40312 3.564828  513.3279       65.18954 473.0139       
114.6975 532.5649       79.23087 45.36946 6.021595 49.43679 3.817379 -4.067326 
7.129655 
1 1 1 -1  -20 22 o 17.53514 4.960931  52.70964       56.63731 -15.43878      
104.9617 80.70309       67.27149 16.17864 7.298183 18.89165 6.721596 -2.713007 
9.921862 
1 1 1 -1  -20 23 o 32.11103 5.162282  276.5121       62.73637 245.0541       
122.4340 287.7126       73.05621 28.88913 9.074241 35.33293 4.924913 -6.443798 
10.32456 
1 1 1 -1  -19 1  o 150.5244 1.973628  4779.790       124.2609 5146.165       
173.4788 4393.747       178.0743 156.4801 2.640635 144.5687 2.933918 11.91141 
3.947256 
1 1 1 -1  -19 2  o 94.55452 1.763431  1874.925       69.90487 1953.551       
102.2293 1805.872       95.80405 96.41096 2.525631 92.69807 2.461695 3.712898 
3.526862 
1 1 1 -1  -19 3  f 277.2755 2.337449  16212.42       264.1010 16329.51       
335.9651 16023.04       427.2759 278.6669 2.871640 275.8841 3.688951 2.782806 
4.674899 
1 1 1 -1  -19 4  o 153.7091 1.851283  4772.650       112.8231 5554.541       
201.1325 4413.672       136.2833 162.5011 2.948132 144.9171 2.239980 17.58405 
3.702566 
1 1 1 -1  -19 5  o 121.7897 2.067140  3103.942       105.3028 3307.255       
157.3951 2939.195       141.6825 125.3747 2.990213 118.2046 2.854979 7.170128 
4.134281 
1 1 1 -1  -19 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -19 13 o 44.77849 4.139164  424.7960       77.81459 0.000000       
0.000000 424.7960       77.81459 ?        ?        44.77849 4.139164 ? ? 
1 1 1 -1  -19 14 o 100.4133 2.009368  2175.293       79.85046 1977.156       
134.6987 2282.650       99.15074 96.71616 3.317306 104.1103 2.268419 -7.394180 
4.018736 
1 1 1 -1  -19 15 f 75.49896 2.406981  1213.684       75.72081 1141.711       
112.1453 1273.990       102.6539 73.38351 3.640018 77.61441 3.150317 -4.230896 
4.813962 
1 1 1 -1  -19 16 o 14.96810 4.508562  7.952398       46.26962 -5.847068      
86.05896 13.56331       54.87592 15.99759 6.934688 13.93861 5.763559 2.058976 
9.017123 
1 1 1 -1  -19 17 o 52.20665 3.369467  644.0574       65.75777 435.7868       
110.6515 757.7716       81.76186 44.69025 5.897470 59.72305 3.260843 -15.03280 
6.738935 
1 1 1 -1  -19 18 o 20.59141 5.097425  75.76296       48.38506 123.6853       
98.21897 60.40656       55.59955 23.78815 8.154632 17.39467 6.118576 6.393482 
10.19485 
1 1 1 -1  -19 19 f 67.37764 3.267520  1016.851       81.35433 917.3907       
153.3723 1055.792       95.96789 64.43964 5.669111 70.31564 3.250836 -5.875992 
6.535041 
1 1 1 -1  -19 20 o 76.35542 3.343687  1324.346       96.81433 1153.690       
173.0599 1402.083       116.8014 71.89924 5.733149 80.81161 3.442670 -8.912376 
6.687374 
1 1 1 -1  -19 21 o 27.32244 4.712751  211.5081       57.47030 49.52479       
114.0286 266.6650       66.53934 19.80165 8.255301 34.84322 4.548636 -15.04157 
9.425503 
1 1 1 -1  -19 22 o 19.89846 4.892656  82.20398       60.21475 -61.56226      
107.5345 147.8728       72.67735 15.14381 7.033110 24.65311 6.803508 -9.509304 
9.785313 
1 1 1 -1  -19 23 o 36.02736 4.969104  332.5389       66.95614 281.7909       
120.4554 355.2300       80.54613 32.35433 8.684182 39.70040 4.832489 -7.346069 
9.938208 
1 1 1 -1  -19 24 o 43.68957 4.350679  444.3809       72.68457 508.1131       
136.1535 418.9786       85.95785 44.65015 7.263185 42.72899 4.791638 1.921165 
8.701359 
1 1 1 -1  -18 1  o 111.8788 1.925590  2647.753       87.53571 2702.795       
111.2640 2558.344       141.8073 113.4294 2.336417 110.3282 3.061493 3.101227 
3.851180 
1 1 1 -1  -18 2  f 257.1348 2.836363  14008.40       295.1275 13543.71       
482.9373 14285.38       372.8494 253.6234 4.535472 260.6462 3.407243 -7.022812 
5.672726 
1 1 1 -1  -18 3  o 254.7697 2.280919  13210.09       209.1704 14505.95       
434.1091 12818.27       238.7081 262.5378 3.938475 247.0017 2.301910 15.53618 
4.561839 
1 1 1 -1  -18 4  f 27.57102 2.590913  163.8045       29.27426 191.7585       
39.85303 131.0455       43.14247 30.19617 3.143624 24.94587 4.119338 5.250303 
5.181825 
1 1 1 -1  -18 5  o 109.0259 2.019631  2489.913       90.80282 2449.505       
117.3891 2550.106       143.2736 107.9457 2.590262 110.1062 3.099385 -2.160530 
4.039263 
1 1 1 -1  -18 6  o 94.19065 2.049637  1840.856       79.63298 1997.393       
126.9667 1739.347       102.2428 97.43288 3.103883 90.94842 2.677679 6.484467 
4.099275 
1 1 1 -1  -18 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -18 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -18 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -18 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -18 11 o 148.1703 3.408754  4630.991       208.4762 4689.879       
327.0339 4590.679       270.5830 148.8727 5.232376 147.4679 4.370429 1.404739 
6.817508 
1 1 1 -1  -18 12 o 142.1279 2.568585  4264.024       149.2828 4241.253       
239.6533 4278.461       190.8275 141.7433 4.027189 142.5126 3.189398 
-0.7693329     5.137170 
1 1 1 -1  -18 13 o 117.6806 2.520016  2949.362       114.4501 2854.771       
205.9745 2991.611       137.6570 116.1748 4.223014 119.1864 2.751013 -3.011574 
5.040032 
1 1 1 -1  -18 14 o 90.85898 2.316248  1731.057       75.68110 1765.093       
154.4332 1720.299       86.82109 91.31386 4.028330 90.40411 2.287484 0.9097519 
4.632497 
1 1 1 -1  -18 15 o 47.40604 2.501095  470.5954       45.52376 487.2086       
84.05525 463.6996       54.15365 47.92097 4.177922 46.89112 2.750794 1.029846 
5.002190 
1 1 1 -1  -18 16 o 57.74023 2.356196  704.0676       54.32344 710.3368       
92.54453 700.7719       67.10006 57.86443 3.809432 57.61603 2.773963 0.2483978 
4.712392 
1 1 1 -1  -18 17 o 107.6672 2.906274  2495.262       129.3657 2305.717       
196.4158 2640.483       171.9225 103.8569 4.504659 111.4775 3.673385 -7.620575 
5.812548 
1 1 1 -1  -18 18 o 59.58411 3.495380  792.7712       79.80193 694.2211       
140.8146 839.3969       96.85724 56.40467 5.946393 62.76354 3.675748 -6.358864 
6.990759 
1 1 1 -1  -18 19 o 43.18555 3.892696  420.4218       63.92516 374.4743       
114.5621 441.1963       77.03275 41.02588 6.651262 45.34522 4.046363 -4.319340 
7.785393 
1 1 1 -1  -18 20 o 20.11686 5.352907  75.45279       57.44280 72.24146       
108.2179 76.71254       67.77969 21.00260 8.304461 19.23113 6.756507 1.771469 
10.70581 
1 1 1 -1  -18 21 o 27.85550 5.395280  169.4937       58.88168 233.4938       
116.0675 147.3147       68.32675 30.67023 8.643988 25.04077 6.458920 5.629467 
10.79056 
1 1 1 -1  -18 22 o 55.84962 3.421235  664.5341       74.22211 756.1757       
136.5302 626.0887       88.43084 58.00650 5.606257 53.69275 3.922918 4.313755 
6.842471 
1 1 1 -1  -18 23 o 20.35640 5.619232  73.37868       63.05221 115.3868       
121.8005 58.00023       73.69514 22.92683 8.872650 17.78596 6.897764 5.140871 
11.23846 
1 1 1 -1  -18 24 o 35.60004 5.251909  373.9145       71.18839 194.7100       
134.3959 443.8035       83.92973 26.63013 9.497998 44.56996 4.485332 -17.93984 
10.50382 
1 1 1 -1  -18 25 o 17.06727 5.532866  -20.80719      83.98531 45.37180       
146.3205 -53.32253      102.5627 19.69644 8.759297 14.43811 6.762035 5.258330 
11.06573 
1 1 1 -1  -17 1  o 66.36700 1.836960  929.7604       49.74068 944.9362       
63.55058 905.7618       79.91673 67.07519 2.256725 65.65881 2.899117 1.416374 
3.673920 
1 1 1 -1  -17 2  o 138.1218 2.109850  3805.246       114.0580 3484.617       
135.8827 4569.907       209.8444 128.7941 2.512981 147.4495 3.389808 -18.65543 
4.219701 
1 1 1 -1  -17 3  o 166.3535 2.178811  5821.347       146.2283 5834.760       
183.1376 5797.753       242.8858 166.6463 2.617597 166.0606 3.483827 0.5857086 
4.357622 
1 1 1 -1  -17 4  o 182.7563 2.130349  7043.882       160.8640 7156.916       
210.5567 6885.406       249.3153 184.5458 2.717603 180.9667 3.281491 3.579071 
4.260698 
1 1 1 -1  -17 5  o 202.4161 2.168897  8605.726       183.4332 8701.853       
273.8176 8527.464       247.0673 203.4257 3.206096 201.4065 2.921883 2.019196 
4.337793 
1 1 1 -1  -17 6  o 81.69847 2.386228  1401.502       78.63793 1413.935       
131.0784 1394.511       98.29103 81.95642 3.809510 81.44053 2.874712 0.5158920 
4.772456 
1 1 1 -1  -17 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -17 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -17 9  o 148.3888 3.637996  4655.415       226.6368 4607.068       
319.5784 4704.332       321.4555 147.6114 5.156781 149.1663 5.132999 -1.554962 
7.275993 
1 1 1 -1  -17 10 o 15.84489 3.763400  52.02493       29.88380 4.654850       
60.21041 67.50793       34.42287 14.12700 5.949831 17.56278 4.610014 -3.435788 
7.526800 
1 1 1 -1  -17 11 o 95.53175 2.426780  1904.201       87.99783 1963.288       
165.6111 1880.956       103.8750 96.49136 4.088105 94.57214 2.616188 1.919212 
4.853559 
1 1 1 -1  -17 12 o 213.3120 4.856412  9581.187       383.9373 9893.948       
749.9460 9470.098       446.9516 214.9890 8.308732 211.6350 5.030302 3.354034 
9.712825 
1 1 1 -1  -17 13 o 68.24535 2.505113  952.6602       60.57750 1036.441       
128.2997 928.6245       68.71976 70.04608 4.362774 66.44461 2.463445 3.601471 
5.010225 
1 1 1 -1  -17 14 o 61.60469 2.407714  832.3901       57.56873 711.9260       
98.97197 893.9883       70.77307 58.03976 4.061698 65.16962 2.586688 -7.129856 
4.815428 
1 1 1 -1  -17 15 o 91.47641 2.092470  1759.894       80.14011 1584.522       
110.5926 1953.810       116.2926 86.67875 3.039027 96.27408 2.877157 -9.595329 
4.184939 
1 1 1 -1  -17 16 o 23.99432 4.110292  128.8231       39.05929 121.8671       
69.28683 132.0635       47.28975 23.47470 6.698761 24.51395 4.764936 -1.039246 
8.220584 
1 1 1 -1  -17 17 o 65.86975 2.618010  969.0371       68.11018 741.4567       
108.6194 1116.504       87.43549 59.02431 4.383265 72.71519 2.864070 -13.69089 
5.236020 
1 1 1 -1  -17 18 o 64.31706 2.986250  869.6489       75.85551 919.3340       
133.5186 845.9690       92.17614 65.49178 4.855970 63.14234 3.477114 2.349434 
5.972501 
1 1 1 -1  -17 19 o 68.92920 3.129866  1039.079       82.39816 968.7674       
149.0608 1070.018       98.87868 66.89552 5.307470 70.96288 3.318887 -4.067360 
6.259732 
1 1 1 -1  -17 20 o 24.75649 5.068904  154.4778       57.47768 52.80355       
114.7737 188.5125       66.40457 20.61300 8.400417 28.89998 5.675223 -8.286987 
10.13781 
1 1 1 -1  -17 21 o 22.27552 5.353708  111.4670       55.62292 69.62685       
120.0920 122.8942       62.76072 21.48461 8.655459 23.06643 6.303314 -1.581827 
10.70742 
1 1 1 -1  -17 22 o 27.55396 4.733521  219.0124       59.71531 17.05473       
123.1221 281.1324       68.28436 19.21716 8.311962 35.89076 4.531684 -16.67360 
9.467041 
1 1 1 -1  -17 23 o 18.49951 5.369635  34.49308       57.74505 95.76739       
119.7185 15.91532       65.92023 22.19609 8.747796 14.80293 6.229605 7.393167 
10.73927 
1 1 1 -1  -17 24 o 21.60234 6.056648  93.54613       75.12404 67.47260       
156.0164 101.4162       85.71514 22.07926 9.448451 21.12541 7.580154 0.9538498 
12.11330 
1 1 1 -1  -17 25 o 29.87930 11.31961  280.0868       195.2038 0.000000       
0.000000 280.0868       195.2038 ?        ?        29.87930 11.31961 ? ? 
1 1 1 -1  -17 26 o 21.08412 6.053830  106.3628       82.93507 41.57949       
162.0825 129.3405       96.52888 20.06455 9.059164 22.10369 8.032867 -2.039137 
12.10766 
1 1 1 -1  -16 1  f 131.6431 1.994455  3629.055       106.5631 3596.884       
134.1942 3683.970       175.3282 130.8669 2.442447 132.4194 3.153706 -1.552582 
3.988911 
1 1 1 -1  -16 2  o 163.0256 2.041048  5511.865       128.1633 5762.287       
236.0841 5407.225       152.6088 165.5935 3.395819 160.4577 2.265375 5.135803 
4.082097 
1 1 1 -1  -16 3  o 65.95200 1.862034  905.6578       50.78918 869.5019       
65.77927 959.0328       79.92223 64.33979 2.435176 67.56421 2.817552 -3.224419 
3.724068 
1 1 1 -1  -16 4  o 133.1229 2.100185  3704.984       114.7250 3636.982       
146.7744 3811.779       183.9344 131.5741 2.657056 134.6717 3.253177 -3.097534 
4.200370 
1 1 1 -1  -16 5  o 134.6725 1.940389  3816.281       109.5146 3919.836       
151.7219 3703.640       158.2375 136.5872 2.645815 132.7578 2.839032 3.829346 
3.880778 
1 1 1 -1  -16 6  o 28.13954 3.132572  153.5995       34.27708 202.2003       
64.74718 134.6745       40.40331 30.97784 4.978411 25.30124 3.803611 5.676598 
6.265144 
1 1 1 -1  -16 7  o 80.94373 3.812570  1378.914       129.5627 1378.914       
129.5627 0.000000       0.000000 80.94373 3.812570 ?        ?        ? ? 
1 1 1 -1  -16 8  o 103.1881 2.679578  2234.826       115.7452 2329.030       
171.6435 2156.266       156.7459 105.1681 3.887446 101.2081 3.688944 3.960045 
5.359156 
1 1 1 -1  -16 9  f 30.42978 3.298140  234.4522       33.10578 136.6325       
63.00421 271.7614       38.91034 24.90751 6.071692 35.95204 2.577879 -11.04453 
6.596279 
1 1 1 -1  -16 10 o 219.4676 4.576454  10273.40       366.9558 10121.68       
724.3196 10325.78       425.6196 217.7672 7.922437 221.1679 4.583746 -3.400711 
9.152908 
1 1 1 -1  -16 11 o 105.9979 2.362144  2316.765       97.73332 2498.152       
176.9394 2237.127       117.2412 108.8661 3.871264 103.1297 2.707805 5.736404 
4.724288 
1 1 1 -1  -16 12 o 185.3441 4.455325  7350.627       339.3534 6962.054       
529.6693 7621.190       441.9814 180.9331 6.972810 189.7551 5.547936 -8.822037 
8.910650 
1 1 1 -1  -16 13 o 277.6388 4.941972  16401.75       575.8786 16460.28       
825.1270 16346.16       804.1104 278.0792 7.067624 277.1984 6.909490 0.8807678 
9.883945 
1 1 1 -1  -16 14 o 56.82951 2.729376  719.1531       57.82361 595.7003       
105.4930 772.1735       69.13436 53.08045 4.733800 60.57858 2.718291 -7.498123 
5.458752 
1 1 1 -1  -16 15 o 99.28864 2.378992  2002.627       90.62077 2266.351       
170.9854 1899.614       106.8637 103.5857 3.931700 94.99157 2.679577 8.594131 
4.757983 
1 1 1 -1  -16 16 o 80.96778 2.315039  1419.975       73.87330 1272.575       
125.1222 1498.852       91.52886 77.57605 3.841738 84.35951 2.584313 -6.783463 
4.630078 
1 1 1 -1  -16 17 o 62.23605 2.435310  809.1050       59.34942 845.6981       
106.0133 792.4011       71.62550 63.17331 3.997125 61.29880 2.783151 1.874508 
4.870619 
1 1 1 -1  -16 18 o 41.35909 3.098088  340.8015       51.90392 461.5717       
88.79993 278.1294       63.96909 46.54798 4.543942 36.17020 4.212503 10.37778 
6.196176 
1 1 1 -1  -16 19 o 121.8612 2.768792  3073.880       125.9917 2975.859       
146.6168 3350.617       246.3530 118.6061 2.944407 125.1163 4.689916 -6.510193 
5.537585 
1 1 1 -1  -16 20 o 72.94188 2.923358  1116.195       85.54712 1212.583       
146.6015 1066.427       105.3422 75.10265 4.649478 70.78110 3.544918 4.321556 
5.846716 
1 1 1 -1  -16 21 o 25.80015 5.518532  123.0643       64.20973 252.7308       
115.8351 65.54873       77.14702 32.55385 8.415873 19.04646 7.140720 13.50739 
11.03706 
1 1 1 -1  -16 22 o 47.20433 4.047736  481.6219       70.89240 518.0365       
138.7665 468.7614       82.46613 47.83081 6.910315 46.57784 4.217134 1.252975 
8.095472 
1 1 1 -1  -16 23 o 55.97997 4.117595  692.9927       91.42802 728.2154       
158.6057 675.4637       111.8887 56.47489 6.689360 55.48504 4.803208 0.9898491 
8.235189 
1 1 1 -1  -16 24 o 58.55568 7.058188  802.3656       173.5167 802.3656       
173.5167 0.000000       0.000000 58.55568 7.058188 ?        ?        ? ? 
1 1 1 -1  -16 25 o 54.10147 5.576379  765.6994       104.6377 603.9299       
192.6808 833.3632       124.6144 47.11737 10.03861 61.08556 4.859043 -13.96819 
11.15276 
1 1 1 -1  -16 26 o 54.12094 4.925645  712.1520       97.46524 716.1811       
188.1245 710.6737       113.9509 52.24803 8.576232 55.99386 4.847283 -3.745834 
9.851290 
1 1 1 -1  -16 27 o 21.58281 6.403710  69.76701       82.89069 235.7668       
176.9490 23.09933       93.82153 26.71779 10.60173 16.44782 7.185629 10.26997 
12.80742 
1 1 1 -1  -15 1  o 59.68425 1.876397  766.4240       45.87394 902.0681       
62.55382 608.5906       67.47659 65.54140 2.273313 53.82710 2.985885 11.71429 
3.752794 
1 1 1 -1  -15 2  o 346.7134 3.020080  25128.12       384.9056 25561.95       
760.1625 24978.54       446.3553 348.5994 5.193986 344.8275 3.083187 3.771973 
6.040160 
1 1 1 -1  -15 3  o 115.6467 1.991711  2812.082       96.13581 2835.503       
129.4364 2783.266       143.5731 116.1886 2.653468 115.1048 2.970986 1.083755 
3.983422 
1 1 1 -1  -15 4  o 300.4539 3.433821  19027.36       416.4917 19124.76       
522.4449 18857.54       689.8770 301.6014 4.125991 299.3064 5.490055 2.294952 
6.867641 
1 1 1 -1  -15 5  o 75.67935 1.797051  1208.093       56.54665 1242.294       
75.53805 1164.498       85.28406 76.90667 2.339499 74.45203 2.728427 2.454636 
3.594102 
1 1 1 -1  -15 6  o 280.6490 3.055341  16283.38       339.4247 17425.60       
597.1370 15738.17       412.5549 287.6970 4.943787 273.6010 3.591576 14.09598 
6.110682 
1 1 1 -1  -15 7  o 143.6321 2.757070  4314.571       156.2549 4266.699       
190.2867 4413.679       273.7929 142.4669 3.181378 144.7972 4.503840 -2.330292 
5.514140 
1 1 1 -1  -15 8  o 72.40640 2.143803  1034.497       55.32905 1232.292       
118.5876 979.4588       62.55503 76.53214 3.690767 68.28066 2.182155 8.251472 
4.287605 
1 1 1 -1  -15 9  o 99.46843 2.407976  2115.302       93.00999 1991.616       
164.3965 2173.531       112.7988 97.25052 4.026445 101.6863 2.642182 -4.435822 
4.815951 
1 1 1 -1  -15 10 o 79.74530 2.278150  1275.607       65.17258 1459.707       
137.1750 1221.936       74.06573 83.24180 3.925136 76.24879 2.313691 6.993004 
4.556299 
1 1 1 -1  -15 11 o 84.20432 2.253401  1404.208       68.54400 1667.707       
143.9232 1326.908       77.95223 88.96000 3.853515 79.44864 2.337024 9.511360 
4.506801 
1 1 1 -1  -15 12 o 106.7787 2.775939  2372.641       108.3810 2466.789       
216.8271 2341.284       125.1351 108.0638 4.779191 105.4935 2.825364 2.570259 
5.551878 
1 1 1 -1  -15 13 o 151.0677 3.796659  4805.729       209.8053 4873.077       
416.6495 4782.851       242.8403 151.4892 6.551041 150.6463 3.839578 0.8428955 
7.593319 
1 1 1 -1  -15 14 o 74.45282 2.652778  1135.448       75.04070 1245.159       
143.0077 1093.762       88.15172 76.80733 4.434839 72.09831 2.912237 4.709015 
5.305556 
1 1 1 -1  -15 15 o 104.8230 2.555377  2310.141       111.7972 2368.854       
168.3601 2263.833       149.5214 105.9907 3.783492 103.6553 3.435839 2.335320 
5.110754 
1 1 1 -1  -15 16 o 86.77037 2.335374  1578.785       84.40140 1652.613       
128.8811 1523.348       111.6813 88.51780 3.468005 85.02293 3.128710 3.494865 
4.670748 
1 1 1 -1  -15 17 o 119.3042 2.895862  3014.820       139.5430 3004.736       
231.0686 3020.608       175.0726 119.0119 4.624573 119.5966 3.486746 
-0.5847397     5.791724 
1 1 1 -1  -15 18 o 75.02713 2.542561  1165.019       79.21817 992.6305       
103.6815 1406.803       122.7896 68.50136 3.605150 81.55289 3.586272 -13.05154 
5.085121 
1 1 1 -1  -15 19 o 89.75705 2.718862  1712.809       102.1679 1650.745       
148.4705 1768.632       140.8083 88.16759 4.010996 91.34652 3.671615 -3.178932 
5.437725 
1 1 1 -1  -15 20 o 26.98121 4.649799  172.7024       52.12127 123.3538       
85.07059 202.3595       65.94881 23.73733 7.577603 30.22509 5.390961 -6.487768 
9.299599 
1 1 1 -1  -15 21 o 73.75582 3.429969  1195.258       103.5800 918.2998       
148.8497 1455.285       144.2281 65.05557 5.449850 82.45607 4.166280 -17.40050 
6.859938 
1 1 1 -1  -15 22 o 54.56155 4.068609  682.1185       80.13165 593.2845       
154.4071 714.8621       93.74355 51.36382 7.160294 57.75927 3.865812 -6.395447 
8.137218 
1 1 1 -1  -15 23 o 87.46317 4.178102  1664.029       148.8065 1849.585       
246.8053 1558.048       186.5225 90.72110 6.479885 84.20525 5.276101 6.515854 
8.356204 
1 1 1 -1  -15 24 o 77.24580 4.095756  1294.640       132.8275 0.000000       
0.000000 1294.640       132.8275 ?        ?        77.24580 4.095756 ? ? 
1 1 1 -1  -15 25 o 39.09618 5.801887  340.8025       79.50497 453.8936       
172.9026 310.4790       89.53167 41.15500 10.07448 37.03737 5.757814 4.117634 
11.60377 
1 1 1 -1  -15 26 o 25.61488 6.255583  171.4147       81.02406 121.7570       
153.3670 190.6402       95.42833 23.88000 9.717696 27.34975 7.880078 -3.469751 
12.51117 
1 1 1 -1  -15 27 o 41.85381 6.172812  478.9572       89.97302 459.3066       
188.9048 484.7229       102.3247 37.92915 11.13864 45.77847 5.324026 -7.849319 
12.34562 
1 1 1 -1  -15 28 o 23.14303 6.077515  154.8744       83.87695 10.27888       
184.9624 192.3077       94.10991 19.93207 9.244194 26.35399 7.892378 -6.421919 
12.15503 
1 1 1 -1  -14 1  o 273.4154 3.174828  15702.56       364.4367 0.000000       
0.000000 15702.56       364.4367 ?        ?        273.4154 3.174828 ? ? 
1 1 1 -1  -14 2  o 201.2307 1.855580  8502.290       156.7664 8502.290       
156.7664 0.000000       0.000000 201.2307 1.855580 ?        ?        ? ? 
1 1 1 -1  -14 3  o 102.3531 1.760558  2194.165       75.45155 2124.244       
102.3878 2277.260       111.6179 100.5745 2.424829 104.1316 2.553127 -3.557053 
3.521115 
1 1 1 -1  -14 4  o 89.44374 1.627208  1682.146       60.21728 1692.503       
78.86316 1667.664       93.25471 89.77749 2.092319 89.11000 2.492674 0.6674881 
3.254415 
1 1 1 -1  -14 5  o 201.3783 3.036520  8449.859       252.0992 8918.806       
400.6473 8142.495       324.3605 205.9363 4.633941 196.8203 3.925356 9.115921 
6.073040 
1 1 1 -1  -14 6  o 331.1730 5.582283  23389.32       687.4724 23661.31       
806.1905 22664.41       1316.159 335.2044 5.728607 327.1415 9.582828 8.062836 
11.16457 
1 1 1 -1  -14 7  o 134.5813 3.424371  3823.186       192.9072 4039.712       
268.1055 3590.759       277.7754 138.5604 4.608799 130.6022 5.065988 7.958130 
6.848742 
1 1 1 -1  -14 8  o 145.6245 3.095767  4486.158       169.0490 4410.625       
320.7708 4515.204       198.9139 144.6885 5.280583 146.5606 3.232727 -1.872070 
6.191533 
1 1 1 -1  -14 9  o 60.97305 2.263549  770.3213       52.22590 807.8137       
99.21471 755.9507       61.42479 61.96406 3.813794 59.98203 2.439178 1.982025 
4.527098 
1 1 1 -1  -14 10 o 239.9633 5.540122  12136.34       513.7277 12456.01       
935.5038 11998.32       614.7077 241.6873 9.219615 238.2393 6.145769 3.447968 
11.08024 
1 1 1 -1  -14 11 o 37.84882 2.754059  276.0181       41.45181 387.5443       
74.84092 226.6659       49.78561 42.88504 4.156754 32.81260 3.613968 10.07244 
5.508118 
1 1 1 -1  -14 12 o 57.79317 2.523370  737.1619       56.57467 608.5809       
96.27513 804.9823       69.92072 53.71839 4.268863 61.86797 2.691914 -8.149578 
5.046741 
1 1 1 -1  -14 13 o 80.50555 2.410480  1300.283       77.24606 1567.053       
137.3071 1176.756       93.43411 86.23028 3.792750 74.78084 2.976022 11.44944 
4.820961 
1 1 1 -1  -14 14 o 14.58938 4.101035  14.22456       41.69806 -75.10497      
74.93485 54.29153       50.18566 12.32964 5.775510 16.84912 5.823868 -4.519485 
8.202070 
1 1 1 -1  -14 15 o 54.84420 2.851853  648.7515       60.55433 595.8367       
106.8332 673.7988       73.50188 53.10815 4.791441 56.58025 3.094245 -3.472107 
5.703705 
1 1 1 -1  -14 16 o 16.14073 4.203695  37.40898       41.50037 -29.24364      
69.01197 75.16573       51.94133 13.39165 5.983784 18.88981 5.905806 -5.498157 
8.407391 
1 1 1 -1  -14 17 o 36.07221 3.591032  287.1429       48.33848 260.8279       
85.92939 299.3253       58.46652 34.48499 6.156916 37.65944 3.697894 -3.174450 
7.182064 
1 1 1 -1  -14 18 o 22.26993 4.709346  96.88062       46.83921 152.6645       
78.76830 66.36474       58.25858 26.19216 7.019016 18.34769 6.280538 7.844465 
9.418692 
1 1 1 -1  -14 19 o 72.31819 2.717804  1118.154       81.63939 1012.256       
120.8425 1207.070       110.7302 69.08238 4.166520 75.55399 3.490838 -6.471611 
5.435608 
1 1 1 -1  -14 20 o 15.98645 4.607714  18.04283       50.94945 -37.10851      
82.19151 52.46067       64.92931 14.37105 6.471832 17.60184 6.560450 -3.230790 
9.215428 
1 1 1 -1  -14 21 o 28.43785 4.649202  186.9409       55.71576 133.6814       
85.78199 225.8029       73.27570 24.51018 7.574968 32.36551 5.392604 -7.855326 
9.298404 
1 1 1 -1  -14 22 o 60.19152 3.422366  813.5577       79.53188 691.2467       
137.1749 875.4916       97.61269 56.29138 5.804351 64.09167 3.627654 -7.800289 
6.844732 
1 1 1 -1  -14 23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -14 24 o 27.04498 6.073803  176.4608       70.62833 134.9900       
158.7757 186.6912       78.86019 25.87568 10.10620 28.21427 6.740108 -2.338593 
12.14761 
1 1 1 -1  -14 25 o 53.89257 4.310562  621.1926       85.46168 733.4157       
172.7000 584.7989       98.34770 56.08505 7.334426 51.70008 4.531000 4.384972 
8.621123 
1 1 1 -1  -14 26 o 46.24397 4.964220  423.2397       79.32766 663.2094       
184.8007 369.0335       87.83145 51.84841 8.489638 40.63953 5.147809 11.20888 
9.928439 
1 1 1 -1  -14 27 o 29.68882 6.283112  233.8663       76.85696 223.8370       
168.3516 236.5069       86.38431 28.31079 10.56145 31.06686 6.809237 -2.756071 
12.56622 
1 1 1 -1  -14 28 o 37.43192 6.186566  361.0419       82.26779 438.8200       
181.2452 340.8591       92.32669 36.92295 10.93155 37.94090 5.796165 -1.017941 
12.37313 
1 1 1 -1  -13 1  o 219.3636 1.850499  10089.95       170.2946 10573.88       
246.4051 9647.439       235.6224 224.3913 2.615560 214.3358 2.618442 10.05554 
3.700999 
1 1 1 -1  -13 2  o 271.8802 2.947407  15300.52       317.8384 16235.58       
555.9246 14846.45       387.3988 277.9152 4.764581 265.8453 3.470965 12.06982 
5.894814 
1 1 1 -1  -13 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -13 4  o 88.26608 1.827349  1612.199       67.19663 1845.946       
103.0099 1439.050       88.65768 93.75327 2.617060 82.77891 2.551043 10.97436 
3.654699 
1 1 1 -1  -13 5  o 47.11156 2.009291  470.9911       38.58817 487.6211       
49.49728 445.2217       61.61535 48.18629 2.446690 46.03682 3.187900 2.149464 
4.018581 
1 1 1 -1  -13 6  o 50.81960 1.954223  519.0828       40.60087 445.3603       
50.82034 649.1581       67.50488 46.04806 2.628738 55.59113 2.892349 -9.543076 
3.908446 
1 1 1 -1  -13 7  o 275.7505 5.483103  15926.97       515.7525 16258.63       
1133.869 15840.45       579.1312 277.1142 9.745970 274.3867 5.027301 2.727509 
10.96621 
1 1 1 -1  -13 8  o 326.9391 6.217045  22526.92       744.5968 22812.58       
1474.873 22429.20       862.5963 327.6826 10.72068 326.1956 6.298694 1.486938 
12.43409 
1 1 1 -1  -13 9  o 247.9219 4.370396  13036.43       442.4629 12643.36       
708.1443 13288.16       566.7015 244.6961 6.893119 251.1476 5.374603 -6.451508 
8.740792 
1 1 1 -1  -13 10 o 32.56773 2.954747  214.2372       37.30160 246.5731       
69.34135 201.0692       44.24957 34.21317 4.827475 30.92229 3.408463 3.290888 
5.909495 
1 1 1 -1  -13 11 o 74.99752 2.401622  1164.266       71.92645 1243.674       
124.2096 1124.204       88.22349 76.86857 3.848819 73.12647 2.873629 3.742096 
4.803244 
1 1 1 -1  -13 12 o 47.95558 2.642421  490.9714       49.33177 465.9056       
86.97043 502.8619       59.90042 47.01228 4.406374 48.89889 2.917776 -1.886616 
5.284842 
1 1 1 -1  -13 13 o 119.0890 3.036988  2966.845       147.9826 3097.060       
239.9036 2886.868       188.0129 121.1240 4.717669 117.0539 3.825806 4.070114 
6.073977 
1 1 1 -1  -13 14 o 137.1300 3.720840  3984.070       207.8154 3949.796       
336.7661 4005.147       264.0966 136.5251 5.875391 137.7348 4.567098 -1.209641 
7.441680 
1 1 1 -1  -13 15 o 168.7903 4.590247  5926.003       298.2747 6357.100       
552.5174 5748.692       354.3450 172.6761 7.621402 164.9045 5.118173 7.771591 
9.180493 
1 1 1 -1  -13 16 o 90.56097 2.449250  1755.602       87.43864 1643.084       
149.9505 1813.572       107.6316 88.27154 4.046209 92.85041 2.761067 -4.578873 
4.898499 
1 1 1 -1  -13 17 o 130.1867 3.073145  3452.776       150.3759 3864.046       
292.9664 3305.661       175.2189 135.1046 5.164979 125.2688 3.331649 9.835854 
6.146291 
1 1 1 -1  -13 18 o 31.03806 4.235297  212.0471       51.79721 198.3550       
86.06186 219.8239       64.85989 29.86475 6.982005 32.21138 4.796098 -2.346630 
8.470593 
1 1 1 -1  -13 19 o 27.62219 4.535599  183.8702       54.12897 83.61071       
88.29343 244.2418       68.51438 21.33302 7.689465 33.91136 4.812354 -12.57834 
9.071198 
1 1 1 -1  -13 20 o 73.79350 2.822074  1177.430       84.64717 1050.673       
133.5928 1262.455       109.4136 70.30621 4.525957 77.28080 3.372259 -6.974594 
5.644149 
1 1 1 -1  -13 21 o 71.32873 2.703230  1078.301       80.82819 997.5685       
112.2486 1165.244       116.4858 68.54367 3.900628 74.11378 3.743649 -5.570114 
5.406459 
1 1 1 -1  -13 22 o 71.21936 3.242980  1029.494       89.36446 1234.213       
167.7409 948.3622       105.5979 75.67587 5.279619 66.76285 3.767400 8.913025 
6.485960 
1 1 1 -1  -13 23 o 26.94466 5.959340  164.6779       65.61821 0.000000       
0.000000 164.6779       65.61821 ?        ?        26.94466 5.959340 ? ? 
1 1 1 -1  -13 24 o 79.96468 3.914765  1361.965       110.6465 1482.279       
233.4512 1327.108       125.6567 81.25771 6.843094 78.67164 3.804420 2.586067 
7.829531 
1 1 1 -1  -13 25 o 85.58176 3.777374  1510.894       114.4898 1822.615       
246.5150 1425.165       129.2782 89.80450 6.538321 81.35901 3.784780 8.445488 
7.554747 
1 1 1 -1  -13 26 o 37.69198 5.953242  325.3010       82.14305 417.9031       
165.5281 295.0458       94.61516 39.94187 9.906677 35.44209 6.604702 4.499779 
11.90648 
1 1 1 -1  -13 27 o 38.26469 6.192562  337.4698       83.23830 459.1598       
182.1680 305.3581       93.57856 40.62479 10.57813 35.90459 6.441620 4.720192 
12.38512 
1 1 1 -1  -13 28 o 25.43532 6.539639  169.4411       85.61609 130.6820       
180.4454 180.7017       97.26102 24.50359 10.30916 26.36704 8.049150 -1.863449 
13.07928 
1 1 1 -1  -13 29 f 27.50834 6.671569  227.2521       89.04645 205.5557       
187.7380 233.5500       101.1482 25.82734 10.66883 29.18935 8.013451 -3.362013 
13.34314 
1 1 1 -1  -12 1  f 53.71911 1.740031  556.8333       36.89255 473.2024       
43.98903 755.1464       67.73869 47.47233 2.207115 59.96589 2.690628 -12.49356 
3.480062 
1 1 1 -1  -12 2  o 280.0027 3.355178  16394.84       373.2214 16222.23       
457.6627 16737.53       644.8585 277.8701 3.923058 282.1353 5.444124 -4.265198 
6.710355 
1 1 1 -1  -12 3  o 336.2263 3.802296  23701.12       531.6786 24267.62       
813.7476 23279.14       702.3140 339.6860 5.706018 332.7665 5.027045 6.919464 
7.604593 
1 1 1 -1  -12 4  o 24.51500 2.407107  125.9338       24.71048 122.1767       
33.56010 130.3826       36.51888 24.11709 3.314512 24.91292 3.491515 
-0.7958355     4.814215 
1 1 1 -1  -12 5  f 71.55932 2.602402  1075.397       78.18428 1075.397       
78.18428 0.000000       0.000000 71.55932 2.602402 ?        ?        ? ? 
1 1 1 -1  -12 6  o 432.2274 8.818112  39594.29       1580.349 39369.24       
2075.658 39904.69       2437.625 431.1207 11.46774 433.3341 13.39878 -2.213379 
17.63622 
1 1 1 -1  -12 7  o 318.7747 5.914624  21220.15       703.3803 21937.75       
1361.970 20959.15       821.3976 322.0299 10.07378 315.5194 6.200811 6.510529 
11.82925 
1 1 1 -1  -12 8  o 111.7503 2.175278  2712.459       95.22792 2364.048       
161.9317 2896.650       117.7388 106.0607 3.636626 117.4400 2.387946 -11.37933 
4.350556 
1 1 1 -1  -12 9  o 260.8220 4.753267  13869.83       482.4778 15608.63       
886.2269 13137.36       575.1904 271.8564 7.764729 249.7876 5.484813 22.06886 
9.506535 
1 1 1 -1  -12 10 o 60.99126 2.436874  807.8182       58.17277 707.1470       
99.21210 860.5632       71.81294 57.98248 4.075575 64.00005 2.672658 -6.017578 
4.873748 
1 1 1 -1  -12 11 f 31.89870 3.154032  197.5044       39.87264 266.7286       
72.49135 167.4773       47.74350 35.58499 4.852219 28.21242 4.030835 7.372576 
6.308063 
1 1 1 -1  -12 12 o 94.52151 2.767861  1850.293       103.1743 1968.250       
182.6139 1794.985       125.0445 96.65731 4.500079 92.38570 3.223895 4.271606 
5.535721 
1 1 1 -1  -12 13 o 62.38310 2.550261  816.4465       62.79402 827.3317       
109.7028 811.1422       76.58054 62.66198 4.169986 62.10423 2.937097 0.5577507 
5.100522 
1 1 1 -1  -12 14 o 197.4070 4.994753  8230.001       403.1594 8518.204       
653.2723 8052.715       512.3683 199.9169 7.783334 194.8970 6.261786 5.019943 
9.989507 
1 1 1 -1  -12 15 o 80.86290 2.854816  1394.507       88.90998 1338.721       
160.2582 1419.312       106.8643 79.60717 4.795007 82.11863 3.099647 -2.511459 
5.709632 
1 1 1 -1  -12 16 o 198.3280 3.118821  8353.188       245.3203 8465.466       
302.1918 8136.181       420.1189 200.4694 3.590505 196.1866 5.100633 4.282883 
6.237642 
1 1 1 -1  -12 17 o 76.78120 2.427041  1269.237       76.35143 1078.953       
115.8106 1415.530       101.5448 71.54460 3.855603 82.01780 2.948972 -10.47320 
4.854083 
1 1 1 -1  -12 18 o 169.8897 3.241271  6099.715       230.6867 6095.528       
316.0053 6104.493       337.5388 169.8650 4.431101 169.9145 4.731668 
-0.4954529E-01 6.482541 
1 1 1 -1  -12 19 o 103.6727 2.563613  2275.707       110.9431 2193.662       
164.2392 2344.562       150.4593 101.9146 3.838501 105.4308 3.399169 -3.516182 
5.127226 
1 1 1 -1  -12 20 o 69.32214 2.711970  1005.414       77.45355 1072.885       
123.5916 961.7783       99.39256 71.17315 4.136126 67.47113 3.508786 3.702019 
5.423940 
1 1 1 -1  -12 21 o 24.13738 4.983472  127.9778       51.93598 126.6606       
88.73462 128.6641       64.05365 24.25664 7.738632 24.01812 6.281206 0.2385139 
9.966944 
1 1 1 -1  -12 22 o 41.95866 6.659901  382.4530       117.3190 382.4530       
117.3190 0.000000       0.000000 41.95866 6.659901 ?        ?        ? ? 
1 1 1 -1  -12 23 o 101.2388 3.237129  2174.474       122.6739 2246.070       
235.6478 2147.858       143.6780 101.9053 5.507918 100.5723 3.402773 1.333084 
6.474259 
1 1 1 -1  -12 24 o 64.34760 3.155414  875.2419       77.50637 929.2571       
145.0833 853.6700       91.68601 65.39631 5.284275 63.29888 3.450072 2.097427 
6.310828 
1 1 1 -1  -12 25 o 70.96230 4.221519  1097.090       107.1026 1150.973       
219.9479 1080.343       122.6227 71.11385 7.366933 70.81076 4.124704 0.3030853 
8.443038 
1 1 1 -1  -12 26 o 108.9947 4.570008  2585.288       167.7071 2866.516       
377.1134 2515.958       187.2413 110.2210 8.149454 107.7683 4.138394 2.452759 
9.140017 
1 1 1 -1  -12 27 o 44.86900 5.757536  495.1667       87.24309 477.7778       
183.0307 500.2791       99.24265 42.20950 10.38561 47.52851 4.973536 -5.319012 
11.51507 
1 1 1 -1  -12 28 f 39.27014 6.002087  500.7622       94.32544 165.9789       
196.1415 601.4805       107.5826 26.65137 10.94131 51.88892 4.938423 -25.23755 
12.00417 
1 1 1 -1  -12 29 o 22.84769 6.296150  126.4127       86.77828 55.91174       
166.8766 152.5434       101.5952 21.47359 9.475174 24.22178 8.293799 -2.748190 
12.59230 
1 1 1 -1  -12 30 o 48.47902 5.954548  655.3010       99.33183 593.5308       
194.0785 677.2249       115.6235 43.04649 10.75782 53.91154 5.108407 -10.86505 
11.90910 
1 1 1 -1  -11 1  o 233.9358 1.967166  11442.20       189.2634 11740.07       
301.2592 11247.97       243.2632 236.4308 3.034990 231.4408 2.503557 4.990021 
3.934331 
1 1 1 -1  -11 2  o 320.1022 2.798409  21331.24       343.0939 21054.51       
407.4165 22006.00       636.1968 316.6195 3.064940 323.5849 4.683002 -6.965393 
5.596817 
1 1 1 -1  -11 3  f 128.3629 1.815203  3350.744       84.65015 3247.896       
97.00878 3679.008       173.3107 124.3756 1.857791 132.3501 3.119049 -7.974487 
3.630407 
1 1 1 -1  -11 4  o 173.6373 2.486483  6272.728       145.1980 6232.562       
162.1572 6435.189       326.1171 172.2847 2.241870 174.9899 4.438964 -2.705170 
4.972965 
1 1 1 -1  -11 5  o 160.9577 3.526879  5431.771       237.1726 5305.242       
318.4123 5589.461       355.4636 158.8677 4.773921 163.0476 5.192801 -4.179916 
7.053758 
1 1 1 -1  -11 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -11 7  o 193.3981 3.216882  7610.489       225.1268 8361.578       
463.6581 7378.795       257.5197 199.3774 5.539147 187.4189 3.272792 11.95857 
6.433764 
1 1 1 -1  -11 8  o 123.7719 3.015444  3243.828       155.2899 3004.431       
230.3371 3443.312       210.2598 119.5415 4.589510 128.0024 3.912545 -8.460892 
6.030888 
1 1 1 -1  -11 9  o 417.4709 7.986444  37521.67       1162.264 35990.09       
2438.297 37971.98       1322.133 410.6147 14.14403 424.3273 7.421562 -13.71262 
15.97289 
1 1 1 -1  -11 10 o 100.6810 2.833372  2017.327       107.1203 2387.371       
211.5676 1889.762       124.2195 106.5264 4.730566 94.83549 3.119894 11.69091 
5.666744 
1 1 1 -1  -11 11 o 278.0797 5.778812  16434.02       653.7663 16055.85       
1058.336 16667.37       831.3513 275.2024 9.159932 280.9568 7.048002 -5.754425 
11.55762 
1 1 1 -1  -11 12 o 107.8651 2.494077  2446.525       112.8915 2344.861       
158.6517 2550.797       160.6729 105.5925 3.578762 110.1376 3.474787 -4.545059 
4.988154 
1 1 1 -1  -11 13 o 96.05488 2.925611  1925.432       104.6583 1980.207       
203.0182 1905.606       122.1385 96.91082 4.989808 95.19894 3.055918 1.711884 
5.851223 
1 1 1 -1  -11 14 o 142.6530 3.926178  4337.234       228.2956 4139.573       
365.4227 4463.770       292.3756 139.8431 6.224084 145.4630 4.787511 -5.619827 
7.852356 
1 1 1 -1  -11 15 o 104.1415 2.995155  2309.845       125.5688 2204.541       
207.1734 2370.994       157.8718 102.1755 4.829568 106.1076 3.543882 -3.932053 
5.990311 
1 1 1 -1  -11 16 o 196.0907 2.814049  7938.363       204.1750 7757.135       
236.7160 8464.944       403.5048 192.0045 2.936550 200.1769 4.801267 -8.172440 
5.628098 
1 1 1 -1  -11 17 o 193.6511 3.074406  7966.091       245.9626 8242.702       
323.6676 7588.027       378.3968 197.7531 3.898494 189.5491 4.754960 8.204025 
6.148813 
1 1 1 -1  -11 18 o 108.2033 2.739609  2461.231       115.8630 2487.086       
206.0655 2449.279       140.1074 108.5348 4.522280 107.8718 3.093672 0.6630096 
5.479217 
1 1 1 -1  -11 19 o 166.5024 3.593203  5888.350       242.1418 5800.221       
397.8082 5940.219       305.1919 165.3144 5.731709 167.6904 4.334969 -2.375977 
7.186406 
1 1 1 -1  -11 20 o 73.76006 2.618025  1170.000       79.55893 988.1307       
118.0327 1321.427       107.7022 68.35917 4.112697 79.16094 3.240669 -10.80177 
5.236049 
1 1 1 -1  -11 21 o 106.5093 3.516756  2296.900       133.9586 2640.552       
283.0245 2197.688       152.0709 111.0485 6.070614 101.9701 3.552174 9.078323 
7.033512 
1 1 1 -1  -11 22 o 74.45234 5.674665  1188.352       177.3771 0.000000       
0.000000 1188.352       177.3771 ?        ?        74.45234 5.674665 ? ? 
1 1 1 -1  -11 23 o 135.3496 3.288208  3806.395       173.3702 4206.440       
316.2863 3634.570       207.2853 139.8857 5.385524 130.8135 3.774305 9.072189 
6.576416 
1 1 1 -1  -11 24 o 55.84053 3.646465  716.4415       75.96797 569.6326       
135.8704 783.2088       91.62856 51.01415 6.343884 60.66692 3.597493 -9.652771 
7.292930 
1 1 1 -1  -11 25 o 35.91843 4.889058  265.0705       63.93182 357.3441       
129.9661 235.6148       73.43039 38.94525 8.205801 32.89161 5.317553 6.053642 
9.778115 
1 1 1 -1  -11 26 o 82.10840 4.125008  1455.290       127.4630 1583.266       
244.6727 1407.622       149.3266 83.59816 6.971239 80.61863 4.411870 2.979530 
8.250016 
1 1 1 -1  -11 27 o 81.48765 4.088258  1436.672       118.3903 1580.286       
247.6805 1394.141       134.7854 82.73219 7.130802 80.24311 4.000885 2.489075 
8.176517 
1 1 1 -1  -11 28 o 35.77483 6.488225  337.9298       91.38345 296.6239       
189.5610 350.4357       104.3038 32.49446 11.31030 39.05519 6.361250 -6.560730 
12.97645 
1 1 1 -1  -11 29 o 36.45086 6.655059  303.5403       86.59738 481.7078       
195.3160 259.9471       96.61238 40.51706 11.14088 32.38466 7.282857 8.132404 
13.31012 
1 1 1 -1  -11 30 o 23.75775 6.252808  154.6720       90.03267 -21.85087      
196.8823 201.3460       101.2380 20.25901 9.450189 27.25649 8.190504 -6.997475 
12.50562 
1 1 1 -1  -10 1  o 183.7849 2.153953  6907.924       146.9531 6706.564       
170.4113 7492.009       290.2353 178.7175 2.271185 188.8524 3.660571 -10.13493 
4.307907 
1 1 1 -1  -10 2  o 341.7507 2.972600  24356.08       392.2125 24077.57       
468.6962 25006.76       716.3905 338.5769 3.297275 344.9244 4.947057 -6.347534 
5.945199 
1 1 1 -1  -10 3  o 152.8313 2.056771  4821.825       115.2626 4736.688       
133.1096 5076.995       230.4435 150.1970 2.110908 155.4656 3.530622 -5.268646 
4.113542 
1 1 1 -1  -10 4  o 377.3775 2.919115  29283.57       344.5888 28972.55       
376.4858 30889.22       855.4298 371.4496 2.414180 383.3054 5.315701 -11.85574 
5.838231 
1 1 1 -1  -10 5  o 188.5465 3.179195  7470.698       251.5117 7463.240       
349.6526 7478.694       362.0541 188.4526 4.419323 188.6404 4.571511 
-0.1877899     6.358391 
1 1 1 -1  -10 6  o 111.2791 2.515619  2376.381       78.58276 2915.298       
230.3433 2305.397       83.59806 117.7723 4.658578 104.7859 1.900266 12.98645 
5.031239 
1 1 1 -1  -10 7  o 436.4354 9.389990  40315.67       1512.669 40627.68       
2956.752 40205.05       1760.504 436.4649 16.13565 436.4059 9.608763 
0.5895996E-01  18.77998 
1 1 1 -1  -10 8  o 210.4362 8.672970  9341.670       766.2442 9341.670       
766.2442 0.000000       0.000000 210.4362 8.672970 ?        ?        ? ? 
1 1 1 -1  -10 9  o 137.1534 3.379076  3901.708       178.6281 4090.153       
328.8299 3822.820       212.7568 139.4276 5.617508 134.8793 3.757157 4.548309 
6.758152 
1 1 1 -1  -10 10 o 309.5617 7.289636  20605.12       817.6182 19670.99       
1621.451 20923.63       946.8027 304.0811 12.70092 315.0423 7.158329 -10.96121 
14.57927 
1 1 1 -1  -10 11 o 241.6589 5.805323  12341.34       579.4296 12331.95       
904.1229 12347.88       754.8140 241.4380 8.919548 241.8799 7.432951 
-0.4418335     11.61065 
1 1 1 -1  -10 12 o 250.1951 6.179002  13278.80       567.7825 13216.30       
1115.216 13300.67       659.6803 249.2527 10.65713 251.1375 6.256666 -1.884827 
12.35800 
1 1 1 -1  -10 13 o 261.1945 6.253756  14505.86       576.0386 14441.99       
1200.360 14524.97       656.5817 260.0188 10.99583 262.3701 5.960676 -2.351318 
12.50751 
1 1 1 -1  -10 14 o 91.07487 2.533928  1740.877       96.58086 1554.862       
133.2865 1946.523       140.1432 85.95856 3.693331 96.19119 3.470227 -10.23264 
5.067856 
1 1 1 -1  -10 15 o 141.9235 3.657133  4172.014       197.4343 4445.254       
372.9827 4065.649       232.7109 144.9219 6.130214 138.9250 3.989856 5.996857 
7.314266 
1 1 1 -1  -10 16 o 219.1638 4.392266  10141.46       395.9377 10392.99       
629.5742 9976.889       509.2524 221.1952 6.779417 217.1324 5.586369 4.062790 
8.784533 
1 1 1 -1  -10 17 o 102.3943 2.307332  2198.123       98.42808 2136.473       
130.5219 2279.407       149.8723 100.7525 3.085662 104.0361 3.431298 -3.283554 
4.614663 
1 1 1 -1  -10 18 o 57.10549 2.641330  712.2370       57.98820 622.2878       
102.1069 755.0598       70.45218 54.29991 4.478959 59.91107 2.800970 -5.611164 
5.282660 
1 1 1 -1  -10 19 o 94.79806 2.428682  1877.238       95.64166 1997.029       
148.1238 1791.586       125.2507 97.35198 3.624107 92.24413 3.234167 5.107849 
4.857365 
1 1 1 -1  -10 20 o 112.6735 3.041533  2687.406       141.4590 2654.972       
220.4985 2710.092       184.4105 112.0256 4.688238 113.3214 3.876096 -1.295860 
6.083066 
1 1 1 -1  -10 21 o 31.93312 8.700485  228.8231       119.7922 228.8231       
119.7922 0.000000       0.000000 31.93312 8.700485 ?        ?        ? ? 
1 1 1 -1  -10 22 o 60.16328 3.049461  762.6276       70.04021 780.4200       
130.1738 755.3779       83.09315 60.52483 5.122845 59.80173 3.309577 0.7230988 
6.098921 
1 1 1 -1  -10 23 o 22.44911 5.425677  105.2119       57.72126 61.97268       
118.6464 118.6189       66.06670 21.79342 8.670656 23.10480 6.524691 -1.311388 
10.85135 
1 1 1 -1  -10 24 o 37.19519 4.505923  255.3749       60.76712 415.9689       
130.5104 210.9219       68.66426 43.54034 7.139607 30.85005 5.499032 12.69028 
9.011846 
1 1 1 -1  -10 25 o 50.88353 3.712439  523.0994       67.53416 634.7546       
144.0631 491.6515       76.45543 53.76170 6.382648 48.00536 3.793497 5.756348 
7.424878 
1 1 1 -1  -10 26 o 40.92767 4.702311  372.3709       64.02718 389.9695       
138.7357 367.6082       72.17275 40.50994 8.435597 41.34539 4.157835 
-0.8354530     9.404621 
1 1 1 -1  -10 27 o 41.09858 5.300628  372.5612       84.06283 486.9058       
148.3401 318.4702       102.0265 45.17049 8.117284 37.02666 6.818821 8.143822 
10.60126 
1 1 1 -1  -10 28 f 65.04529 4.455441  936.4086       106.0992 1013.377       
211.2987 910.4597       122.6875 65.59144 7.673096 64.49914 4.530722 1.092300 
8.910883 
1 1 1 -1  -10 29 o 37.46083 6.384750  401.6755       94.09999 263.9055       
194.6447 443.6960       107.4968 30.74211 11.37856 44.17954 5.795561 -13.43743 
12.76950 
1 1 1 -1  -10 30 o 57.14104 5.936833  814.5547       113.1873 849.8190       
236.9507 804.1292       128.8368 54.70699 10.69816 59.57510 5.151056 -4.868111 
11.87367 
1 1 1 -1  -10 31 o 17.41870 5.854011  -62.60777      101.6594 -39.56359      
202.2905 -70.39391      117.5861 19.77199 9.312099 15.06541 7.096660 4.706580 
11.70802 
1 1 1 -1  -9  1  o 133.7165 1.711444  3733.587       86.93520 3705.781       
102.7775 3803.509       162.9808 132.8548 1.842645 134.5781 2.884583 -1.723297 
3.422888 
1 1 1 -1  -9  2  f 122.1627 1.534397  3134.872       74.45519 3137.707       
91.53632 3129.331       127.9933 122.2492 1.783482 122.0762 2.497338 0.1729584 
3.068795 
1 1 1 -1  -9  3  o 255.5549 2.447839  13825.90       255.4488 14206.36       
327.8535 13238.05       407.5245 260.0845 3.002523 251.0254 3.866848 9.059174 
4.895678 
1 1 1 -1  -9  4  o 372.2274 3.938239  29195.49       591.8126 28901.85       
979.9177 29364.10       742.5233 370.6658 6.296919 373.7888 4.731565 -3.123016 
7.876477 
1 1 1 -1  -9  5  o 137.7233 1.952878  3971.359       112.3104 4094.135       
168.8710 3873.982       150.3919 139.6238 2.880825 135.8229 2.637380 3.800934 
3.905756 
1 1 1 -1  -9  6  o 471.5114 6.559194  45602.09       1077.076 49224.59       
2333.033 44620.89       1214.216 482.4787 11.51765 460.5441 6.279798 21.93460 
13.11839 
1 1 1 -1  -9  7  o 131.3211 2.148465  3621.312       118.4330 3585.767       
165.7270 3658.411       169.3094 130.6630 3.021076 131.9791 3.055603 -1.316116 
4.296930 
1 1 1 -1  -9  8  o 434.4012 9.624039  40758.84       1460.685 38775.25       
3047.772 41350.32       1664.273 426.0497 17.03897 442.7527 8.953328 -16.70294 
19.24808 
1 1 1 -1  -9  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -9  10 o 142.6527 3.651960  4256.780       199.6135 4336.827       
368.7203 4223.594       237.4131 143.5410 6.118460 141.7645 3.988947 1.776474 
7.303920 
1 1 1 -1  -9  11 o 182.4901 3.601727  6944.380       269.4006 7284.271       
435.1417 6733.129       343.0526 186.0404 5.571145 178.9397 4.566411 7.100708 
7.203455 
1 1 1 -1  -9  12 o 50.40334 2.720411  539.2754       54.93495 516.3212       
91.71871 552.1168       68.60128 49.54727 4.409194 51.25941 3.187717 -1.712135 
5.440821 
1 1 1 -1  -9  13 o 151.2904 4.056186  4886.868       246.6548 4597.517       
406.7548 5055.146       310.1944 147.6100 6.563537 154.9708 4.767657 -7.360825 
8.112371 
1 1 1 -1  -9  14 o 52.81844 2.719399  590.4493       58.65417 571.3065       
93.83337 602.7260       75.14429 52.09737 4.290052 53.53951 3.343049 -1.442142 
5.438798 
1 1 1 -1  -9  15 o 185.0773 4.053849  7221.664       311.8305 7147.360       
411.8385 7321.500       477.3734 184.0393 5.330126 186.1153 6.109381 -2.075943 
8.107698 
1 1 1 -1  -9  16 o 145.1039 2.769429  4445.004       146.7582 4415.348       
290.8863 4455.130       169.9772 144.6537 4.789773 145.5541 2.781553 
-0.9004669     5.538859 
1 1 1 -1  -9  17 o 68.72784 2.451555  1016.048       69.06409 869.7149       
104.9090 1127.977       91.75091 64.23843 3.889903 73.21725 2.984819 -8.978828 
4.903110 
1 1 1 -1  -9  18 o 103.1886 2.463140  2256.112       101.4018 2198.613       
171.6130 2286.956       125.6897 102.1177 4.002858 104.2595 2.871475 -2.141777 
4.926281 
1 1 1 -1  -9  19 o 81.25970 2.370077  1392.513       80.72647 1335.123       
115.8548 1446.671       112.5460 79.62128 3.465821 82.89812 3.233750 -3.276848 
4.740153 
1 1 1 -1  -9  20 o 89.16087 3.334212  1668.965       111.9938 1704.718       
212.8055 1655.270       131.7086 89.68835 5.651555 88.63338 3.539466 1.054962 
6.668425 
1 1 1 -1  -9  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -9  22 o 94.48920 3.034567  1857.532       99.38152 1951.169       
215.1114 1832.123       112.0575 95.74221 5.351568 93.23618 2.862711 2.506027 
6.069134 
1 1 1 -1  -9  23 o 18.26742 5.240046  29.51346       56.05567 56.90817       
110.0252 19.90979       65.14446 21.06802 8.359865 15.46681 6.320202 5.601215 
10.48009 
1 1 1 -1  -9  24 o 69.63693 3.307319  1086.795       84.36892 923.5212       
159.0185 1150.762       99.53306 65.51707 5.781152 73.75679 3.214300 -8.239723 
6.614638 
1 1 1 -1  -9  25 o 54.75623 3.530551  633.1494       71.41175 668.5155       
140.7326 620.8854       82.87370 55.47129 6.042930 54.04116 3.652693 1.430126 
7.061102 
1 1 1 -1  -9  26 o 59.43691 3.535186  777.4476       74.71317 737.8132       
151.3416 790.2197       85.91197 57.93581 6.222034 60.93802 3.358044 -3.002213 
7.070372 
1 1 1 -1  -9  27 o 73.84048 3.503527  1210.510       91.09620 1141.232       
186.4633 1232.230       104.4038 71.67838 6.196213 76.00259 3.271967 -4.324211 
7.007055 
1 1 1 -1  -9  28 o 21.67412 5.794216  84.87376       64.33913 119.8182       
130.1034 73.56157       74.02412 24.14083 9.213219 19.20741 7.029106 4.933424 
11.58843 
1 1 1 -1  -9  29 o 53.03302 5.303323  613.8467       102.5241 772.3774       
211.8305 565.3513       117.1607 55.84864 9.034352 50.21741 5.557106 5.631229 
10.60665 
1 1 1 -1  -9  30 o 27.96686 6.812482  214.1551       97.67918 117.6387       
198.7901 244.8756       112.1522 25.12086 10.70491 30.81286 8.428798 -5.692005 
13.62496 
1 1 1 -1  -9  31 o 21.09769 6.461847  45.52000       93.11829 153.0988       
183.6322 8.281443       108.0393 25.02944 10.45809 17.16595 7.592782 7.863493 
12.92369 
1 1 1 -1  -9  32 o 27.99072 6.700543  259.0240       106.3181 100.9114       
195.8049 325.1295       126.6075 22.45254 10.05458 33.52889 8.859715 -11.07635 
13.40109 
1 1 1 -1  -8  1  o 48.64053 1.281766  498.1257       26.08197 476.6981       
38.02215 517.1697       35.84502 47.64935 1.900644 49.63170 1.720247 -1.982346 
2.563532 
1 1 1 -1  -8  2  o 135.4834 1.944653  3795.502       97.20692 3732.608       
112.6587 3978.767       192.3102 133.3327 2.012562 137.6341 3.328106 -4.301468 
3.889305 
1 1 1 -1  -8  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -8  4  o 261.8691 3.377904  14442.17       313.7342 14468.26       
358.2938 14356.41       649.5868 262.4606 3.251593 261.2776 5.921832 1.183044 
6.755809 
1 1 1 -1  -8  5  o 171.3443 2.950725  5833.613       154.2830 6666.682       
402.5005 5690.130       167.0418 178.0734 5.383794 164.6152 2.416998 13.45821 
5.901451 
1 1 1 -1  -8  6  o 473.7986 6.166074  47219.47       1226.539 0.000000       
0.000000 47219.47       1226.539 ?        ?        473.7986 6.166074 ? ? 
1 1 1 -1  -8  7  o 319.4171 5.732094  21468.80       720.7795 21569.71       
1262.868 21420.05       877.7951 319.7737 9.406678 319.0605 6.553015 0.7131348 
11.46419 
1 1 1 -1  -8  8  f 390.2415 6.472217  32236.12       700.1871 31966.93       
1977.076 32274.73       748.7130 388.6059 12.11811 391.8770 4.550789 -3.271027 
12.94443 
1 1 1 -1  -8  9  f 272.0262 6.290266  15320.87       415.9108 15964.32       
1380.496 15256.63       436.1770 274.5829 11.97520 269.4695 3.855443 5.113464 
12.58053 
1 1 1 -1  -8  10 o 204.6496 5.299234  8800.683       415.5419 8880.357       
765.5563 8767.404       494.7730 205.1531 8.888329 204.1461 5.772794 1.007019 
10.59847 
1 1 1 -1  -8  11 o 123.5752 5.656827  3213.080       293.4831 3213.080       
293.4831 0.000000       0.000000 123.5752 5.656827 ?        ?        ? ? 
1 1 1 -1  -8  12 o 279.4546 6.246028  16402.14       729.0118 17442.24       
1099.946 15587.35       973.5442 287.2471 9.120878 271.6620 8.535870 15.58508 
12.49206 
1 1 1 -1  -8  13 o 120.1617 3.361540  3061.477       166.5524 2904.399       
257.5938 3174.316       218.3278 117.4642 5.223373 122.8592 4.232749 -5.395004 
6.723079 
1 1 1 -1  -8  14 o 194.6264 4.385715  8025.174       341.7380 7869.601       
574.9003 8110.183       424.9694 193.0186 7.094380 196.2342 5.158269 -3.215607 
8.771430 
1 1 1 -1  -8  15 o 144.8215 3.514602  4381.098       196.5984 4517.503       
359.0468 4322.689       234.9494 146.3118 5.845113 143.3312 3.904404 2.980576 
7.029204 
1 1 1 -1  -8  16 o 76.15897 2.465361  1199.784       74.03320 1280.040       
131.1684 1162.266       89.68368 77.96770 4.007150 74.35023 2.873110 3.617477 
4.930721 
1 1 1 -1  -8  17 o 201.8430 3.798543  8614.619       296.9590 8600.167       
535.1909 8621.048       356.9475 201.4549 6.327786 202.2310 4.204144 
-0.7761078     7.597086 
1 1 1 -1  -8  18 o 162.1173 2.764596  5554.285       187.6708 5858.447       
261.2860 5230.151       269.7284 166.7435 3.732400 157.4911 4.079356 9.252396 
5.529191 
1 1 1 -1  -8  19 o 186.5745 3.600967  7383.407       279.6252 7155.683       
420.4929 7563.951       374.4066 183.8931 5.446459 189.2559 4.712107 -5.362793 
7.201935 
1 1 1 -1  -8  20 o 190.6535 4.892779  7681.795       339.4435 7830.002       
679.6457 7632.539       391.8099 191.2550 8.464297 190.0520 4.910481 1.202972 
9.785559 
1 1 1 -1  -8  21 o 205.6559 5.425757  8960.891       468.4685 0.000000       
0.000000 8960.891       468.4685 ?        ?        205.6559 5.425757 ? ? 
1 1 1 -1  -8  22 o 93.27412 3.093973  1798.364       106.3458 1929.656       
211.6941 1754.047       122.9913 95.33083 5.289279 91.21740 3.211572 4.113434 
6.187946 
1 1 1 -1  -8  23 o 72.06502 3.507329  1216.931       93.30992 838.5921       
162.1803 1404.141       114.0834 62.58133 6.172689 81.54871 3.332165 -18.96739 
7.014657 
1 1 1 -1  -8  24 o 27.51460 5.776507  148.7890       61.92229 211.6331       
133.5522 131.5793       69.88851 30.73148 9.442358 24.29773 6.656878 6.433752 
11.55301 
1 1 1 -1  -8  25 f 97.45480 3.317740  1991.495       123.9096 2122.801       
230.8210 1938.336       146.8653 99.33479 5.534712 95.57483 3.660132 3.759956 
6.635480 
1 1 1 -1  -8  26 o 40.29579 5.137500  418.6265       73.69247 251.6783       
133.4440 491.8791       88.39331 32.66576 9.288504 47.92582 4.393098 -15.26006 
10.27500 
1 1 1 -1  -8  27 o 26.62912 5.325127  182.6673       66.48447 46.76728       
128.7865 232.0437       77.62839 21.21525 8.804388 32.04300 5.992550 -10.82775 
10.65025 
1 1 1 -1  -8  28 o 52.18156 3.870023  567.1142       76.59239 677.8658       
148.3824 526.8867       89.42709 55.00663 6.425225 49.35649 4.315647 5.650139 
7.740047 
1 1 1 -1  -8  29 o 30.42647 5.925779  211.2213       70.08926 269.1155       
141.9488 192.5558       80.59981 32.36412 9.693091 28.48882 6.819341 3.875307 
11.85156 
1 1 1 -1  -8  30 o 23.31900 6.529603  111.2930       89.17104 76.92440       
177.4005 122.9123       103.1490 23.52512 10.07144 23.11287 8.313173 0.4122448 
13.05921 
1 1 1 -1  -8  31 o 19.32160 5.561894  25.60480       88.74203 -398.8765      
194.4151 137.3235       99.73865 15.05115 7.511290 23.59205 8.204827 -8.540906 
11.12379 
1 1 1 -1  -8  32 o 30.37721 6.619084  291.9301       96.87061 180.1326       
198.9487 326.6724       110.9056 25.44891 10.77142 35.30552 7.695820 -9.856607 
13.23817 
1 1 1 -1  -7  1  o 222.6039 1.987073  10326.08       183.8377 9876.261       
241.1782 10949.88       284.0136 216.8673 2.648897 228.3405 2.962630 -11.47318 
3.974145 
1 1 1 -1  -7  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -7  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -7  4  o 289.4676 3.733908  17598.33       452.2455 17808.03       
669.3932 17422.23       613.4109 291.0367 5.478411 287.8985 5.074967 3.138214 
7.467816 
1 1 1 -1  -7  5  o 260.4491 4.610445  13908.82       419.9955 14930.20       
903.5239 13627.29       474.3601 266.2396 8.083287 254.6586 4.436810 11.58099 
9.220890 
1 1 1 -1  -7  6  o 278.4011 3.797920  16296.74       443.2205 16259.45       
644.6528 16330.16       610.3683 278.0870 5.521616 278.7151 5.216180 
-0.6280212     7.595840 
1 1 1 -1  -7  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -7  8  o 285.5941 5.244109  17069.53       557.2424 17398.47       
1080.215 16950.25       650.4739 287.2600 8.956863 283.9281 5.456858 3.331970 
10.48822 
1 1 1 -1  -7  9  o 112.5552 2.514528  2636.737       99.89883 2706.769       
209.9571 2616.242       113.5794 113.4906 4.406481 111.6199 2.423703 1.870735 
5.029057 
1 1 1 -1  -7  10 o 467.5856 8.611266  45960.44       1425.294 46964.58       
2975.084 45661.32       1623.762 469.7577 15.08504 465.4135 8.310064 4.344177 
17.22253 
1 1 1 -1  -7  11 o 219.7681 5.058457  10086.88       463.1349 9526.443       
611.5778 10840.40       709.1424 212.7024 6.848578 226.8339 7.446404 -14.13150 
10.11691 
1 1 1 -1  -7  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -7  13 o 238.4874 4.923176  12018.30       487.5534 12191.10       
646.2471 11790.01       742.8011 240.5598 6.398770 236.4149 7.483743 4.144974 
9.846353 
1 1 1 -1  -7  14 o 225.9729 5.847024  10822.67       501.3264 10734.25       
934.4923 10858.41       594.0450 224.9743 9.893815 226.9714 6.234036 -1.997055 
11.69405 
1 1 1 -1  -7  15 o 70.77660 2.370101  1052.579       70.20718 943.4835       
97.77386 1168.704       100.8746 66.98848 3.476512 74.56472 3.222327 -7.576241 
4.740203 
1 1 1 -1  -7  16 o 105.5843 2.725158  2329.561       117.1518 2411.883       
192.0864 2280.804       147.8284 107.0297 4.274775 104.1389 3.381160 2.890800 
5.450316 
1 1 1 -1  -7  17 o 108.1419 2.764778  2453.330       120.3041 2495.043       
202.0456 2430.419       149.7424 108.8042 4.423082 107.4797 3.318483 1.324455 
5.529556 
1 1 1 -1  -7  18 o 114.0755 2.775895  2777.812       130.7136 2511.032       
198.1663 2983.287       173.9131 109.1173 4.325708 119.0337 3.480033 -9.916412 
5.551791 
1 1 1 -1  -7  19 o 158.9493 3.393637  5260.933       206.7866 5524.376       
384.1963 5153.489       245.3576 161.5139 5.665839 156.3848 3.737026 5.129166 
6.787274 
1 1 1 -1  -7  20 o 230.4805 6.015220  11343.39       522.9806 11424.63       
986.1974 11311.61       616.8606 230.0832 10.20940 230.8778 6.363938 
-0.7946014     12.03044 
1 1 1 -1  -7  21 o 70.29633 3.235642  1050.714       83.82725 1028.262       
163.1620 1058.766       97.70874 69.68176 5.577262 70.91088 3.282023 -1.229118 
6.471285 
1 1 1 -1  -7  22 o 70.86150 3.375592  1058.200       85.80322 1070.395       
175.3058 1054.358       98.39456 70.98564 5.882297 70.73734 3.313168 0.2482986 
6.751185 
1 1 1 -1  -7  23 f 90.40309 3.165869  1685.234       99.41589 1813.863       
215.7915 1650.577       112.0111 92.31374 5.567870 88.49245 3.014920 3.821289 
6.331739 
1 1 1 -1  -7  24 o 61.16466 3.317152  746.4210       74.90814 899.2801       
152.3828 697.7122       86.01894 64.88280 5.594062 57.44652 3.566576 7.436279 
6.634304 
1 1 1 -1  -7  25 o 139.2692 3.086268  4085.354       174.5233 4283.059       
288.7437 3971.553       219.0677 141.6818 4.854220 136.8566 3.812707 4.825150 
6.172535 
1 1 1 -1  -7  26 o 46.70900 3.889543  394.5014       68.49656 666.2252       
140.1779 309.2720       78.50740 55.44398 6.022076 37.97402 4.924306 17.46996 
7.779087 
1 1 1 -1  -7  27 o 22.16492 5.341865  108.2276       62.94769 -14.58676      
127.9597 147.4372       72.30109 18.93603 8.331152 25.39380 6.688347 -6.457771 
10.68373 
1 1 1 -1  -7  28 o 66.07557 3.805598  858.7021       85.53604 1129.632       
198.6387 797.0288       94.77283 71.12984 6.651709 61.02130 3.699333 10.10854 
7.611196 
1 1 1 -1  -7  29 o 16.28343 5.188151  -16.79478      65.59017 -52.89698      
136.1765 -5.889395      74.84381 17.90304 8.158089 14.66381 6.411960 3.239225 
10.37630 
1 1 1 -1  -7  30 o 61.05573 3.623454  688.1786       82.49684 1168.379       
172.6086 546.0125       93.91806 72.16211 5.697368 49.94935 4.478580 22.21276 
7.246909 
1 1 1 -1  -7  31 o 36.54383 6.242709  402.0519       97.92126 182.2302       
193.2039 478.0376       113.5916 27.35044 10.99507 45.73722 5.915581 -18.38678 
12.48542 
1 1 1 -1  -7  32 o 21.72276 6.563886  74.17437       94.21912 104.8186       
190.7475 64.28479       108.3611 23.83846 10.32878 19.60706 8.102763 4.231398 
13.12777 
1 1 1 -1  -7  33 o 29.31806 6.291773  288.7000       101.6304 52.26507       
204.0400 366.7126       117.2039 21.58154 9.889137 37.05458 7.781427 -15.47304 
12.58355 
1 1 1 -1  -6  1  o 281.7158 2.513667  16602.90       288.5037 16395.21       
365.0853 16948.29       470.7944 279.4003 3.112351 284.0313 3.948083 -4.630981 
5.027334 
1 1 1 -1  -6  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -6  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -6  4  o 193.6020 2.880881  7847.694       187.5476 7920.049       
419.5900 7829.628       209.6570 194.1086 5.148745 193.0953 2.586180 1.013306 
5.761762 
1 1 1 -1  -6  5  o 153.0003 2.726995  4626.591       117.1961 5319.406       
338.2102 4532.049       124.9367 159.0819 5.063923 146.9187 2.025510 12.16321 
5.453990 
1 1 1 -1  -6  6  o 92.91382 2.095787  1788.302       75.80529 1878.731       
137.1552 1748.529       90.96101 94.57438 3.454299 91.25327 2.374258 3.321114 
4.191573 
1 1 1 -1  -6  7  o 509.8119 8.599066  55434.91       1655.334 53936.53       
3094.726 56035.41       1959.155 504.0699 14.62354 515.5539 9.051401 -11.48404 
17.19813 
1 1 1 -1  -6  8  o 227.3809 3.037429  10844.34       285.7199 10750.82       
372.7288 10977.59       444.9290 226.2129 3.924611 228.5489 4.636952 -2.336014 
6.074858 
1 1 1 -1  -6  9  o 375.9470 6.609661  29693.59       994.4759 30203.29       
1689.870 29423.55       1230.022 378.1378 10.64448 373.7563 7.838724 4.381470 
13.21932 
1 1 1 -1  -6  10 o 213.6027 3.172029  9476.860       269.7939 9245.237       
330.5787 9938.846       466.8734 209.7771 3.753512 217.4283 5.114511 -7.651169 
6.344058 
1 1 1 -1  -6  11 o 391.3776 5.551478  31969.91       894.0578 33783.63       
1429.509 30804.64       1145.816 400.2795 8.506377 382.4757 7.135627 17.80383 
11.10296 
1 1 1 -1  -6  12 o 376.1501 9.145638  29621.44       1083.638 30667.14       
2647.315 29410.96       1187.699 378.7099 16.65022 373.5903 7.572371 5.119568 
18.29128 
1 1 1 -1  -6  13 o 28.55982 4.480424  167.0728       50.50545 224.0513       
86.91933 138.0288       62.05669 32.01469 6.684773 25.10495 5.967462 6.909742 
8.960848 
1 1 1 -1  -6  14 o 23.75749 7.380905  118.3991       81.29993 118.3991       
81.29993 0.000000       0.000000 23.75749 7.380905 ?        ?        ? ? 
1 1 1 -1  -6  15 o 243.4088 4.946943  12447.20       491.8315 12752.76       
797.6804 12259.79       624.7108 245.6613 7.734162 241.1564 6.170229 4.504883 
9.893887 
1 1 1 -1  -6  16 o 48.40939 2.810314  507.3915       54.41615 441.5209       
88.58118 547.3159       68.96272 45.79404 4.607375 51.02474 3.219250 -5.230694 
5.620629 
1 1 1 -1  -6  17 o 179.9355 3.720292  6789.080       280.0769 6352.145       
377.4326 7324.517       417.8160 173.5443 5.180243 186.3268 5.341103 -12.78242 
7.440584 
1 1 1 -1  -6  18 o 101.3521 2.549949  2124.394       103.5454 2288.219       
177.8484 2040.385       127.3563 104.2169 4.064738 98.48723 3.080077 5.729721 
5.099899 
1 1 1 -1  -6  19 o 94.95797 2.926363  1922.384       113.6600 1801.816       
179.3304 2003.335       146.9434 92.38933 4.623311 97.52661 3.588789 -5.137283 
5.852726 
1 1 1 -1  -6  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -6  21 o 56.56245 3.210395  631.6984       70.15835 787.9714       
133.0949 571.5671       82.56016 61.04485 5.193182 52.08006 3.775897 8.964783 
6.420789 
1 1 1 -1  -6  22 o 121.8134 3.617132  3122.375       159.0920 3172.450       
322.2968 3106.242       182.9320 122.2155 6.281315 121.4112 3.588824 0.8043823 
7.234264 
1 1 1 -1  -6  23 o 184.7426 4.798526  7243.915       326.5681 7389.057       
641.4727 7193.139       379.4160 185.2194 8.249218 184.2658 4.904469 0.9536438 
9.597053 
1 1 1 -1  -6  24 o 61.50679 3.335809  788.6316       79.18837 839.3745       
145.7746 767.3892       94.31821 62.75912 5.532558 60.25446 3.728442 2.504665 
6.671618 
1 1 1 -1  -6  25 o 74.46713 3.067595  1099.529       87.51458 1371.079       
168.5157 999.2454       102.4070 80.20485 5.004503 68.72942 3.549016 11.47543 
6.135190 
1 1 1 -1  -6  26 o 73.81258 3.356932  1239.176       91.18523 997.3906       
167.7933 1340.507       108.6251 68.03544 5.874358 79.58973 3.250829 -11.55429 
6.713864 
1 1 1 -1  -6  27 o 47.97086 4.267330  511.1573       72.53857 479.3903       
146.9952 521.3834       83.40073 46.49868 7.529800 49.44304 4.017776 -2.944359 
8.534659 
1 1 1 -1  -6  28 o 184.3558 4.140009  7100.056       297.3673 8388.737       
548.6268 6563.959       353.8549 194.4359 6.720810 174.2757 4.836259 20.16023 
8.280018 
1 1 1 -1  -6  29 o 53.41707 4.146622  651.1345       77.35052 592.2678       
157.9482 669.7064       88.71702 50.97683 7.380110 55.85732 3.783101 -4.880493 
8.293243 
1 1 1 -1  -6  30 o 63.78761 3.970179  928.6996       92.87819 852.4884       
177.0866 957.6187       109.0858 60.99678 6.915121 66.57845 3.902614 -5.581665 
7.940359 
1 1 1 -1  -6  31 o 21.08587 5.940013  71.12195       64.67420 117.0330       
150.4485 60.71471       71.63037 24.17832 9.709697 17.99341 6.845204 6.184906 
11.88003 
1 1 1 -1  -6  32 o 21.17344 6.225334  74.88403       87.42693 64.37708       
155.1184 79.77552       105.8389 21.84731 9.387556 20.49957 8.178810 1.347738 
12.45067 
1 1 1 -1  -6  33 o 17.72614 5.825810  -22.58764      94.47126 -107.7225      
196.7538 2.920365       107.6980 18.65737 8.924779 16.79492 7.490567 1.862446 
11.65162 
1 1 1 -1  -6  34 o 39.24773 6.693279  470.9778       106.0448 430.7356       
195.7691 487.6892       126.1562 34.50065 11.51301 43.99481 6.830119 -9.494160 
13.38656 
1 1 1 -1  -5  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -5  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -5  3  o 446.2727 2.996635  41826.20       561.4527 0.000000       
0.000000 41826.20       561.4527 ?        ?        446.2727 2.996635 ? ? 
1 1 1 -1  -5  4  o 132.0226 2.233635  3494.729       114.9979 4106.641       
212.2583 3240.488       136.8177 139.8215 3.615861 124.2237 2.623367 15.59782 
4.467270 
1 1 1 -1  -5  5  o 69.31485 1.908720  1025.288       50.95203 967.4316       
91.48463 1051.305       61.34745 67.86894 3.210688 70.76076 2.065024 -2.891815 
3.817439 
1 1 1 -1  -5  6  o 155.6483 2.597326  5091.076       169.6261 5156.396       
236.7701 5022.199       243.1313 156.6765 3.599515 154.6200 3.745383 2.056488 
5.194652 
1 1 1 -1  -5  7  o 206.0013 3.549577  8862.979       303.0499 9264.831       
472.1484 8581.438       395.1995 209.9283 5.357085 202.0743 4.658288 7.854019 
7.099155 
1 1 1 -1  -5  8  o 90.42458 1.766073  1701.948       66.26534 1624.490       
86.49194 1812.028       103.1097 87.95720 2.342207 92.89195 2.643885 -4.934753 
3.532147 
1 1 1 -1  -5  9  o 305.2156 4.550283  19556.79       569.8630 19402.64       
730.7931 19795.95       910.2590 303.7545 5.730503 306.6767 7.069769 -2.922150 
9.100566 
1 1 1 -1  -5  10 o 135.2094 2.136879  3840.075       121.0173 3832.165       
177.2210 3846.986       165.6527 135.0765 3.125046 135.3422 2.915320 
-0.2657318     4.273758 
1 1 1 -1  -5  11 o 153.9294 2.306410  4913.292       144.5743 5232.916       
238.4127 4727.402       181.8186 157.8277 3.598051 150.0310 2.886545 7.796646 
4.612820 
1 1 1 -1  -5  12 o 46.55034 2.071791  455.6596       40.31139 402.0440       
56.44135 511.4874       57.59395 43.75059 3.072802 49.35009 2.779777 -5.599499 
4.143582 
1 1 1 -1  -5  13 o 377.5573 4.451453  30191.04       674.4883 30651.66       
842.0794 29366.58       1126.603 381.7569 5.253965 373.3577 7.187320 8.399231 
8.902905 
1 1 1 -1  -5  14 f 178.0165 2.689019  6671.230       195.0763 6707.000       
248.0559 6613.248       315.8151 178.6684 3.306914 177.3647 4.241180 1.303665 
5.378037 
1 1 1 -1  -5  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -5  16 o 150.5052 2.799378  4763.443       176.8728 4721.888       
248.3347 4806.225       251.9770 149.8399 3.947581 151.1705 3.970224 -1.330597 
5.598757 
1 1 1 -1  -5  17 o 121.6892 2.412530  3110.872       121.6088 3095.018       
159.2918 3133.020       188.2821 121.3350 3.127002 122.0433 3.674651 
-0.7082901     4.825059 
1 1 1 -1  -5  18 o 197.2374 3.022260  8239.543       246.4909 8471.638       
324.3914 7922.454       379.1638 200.6064 3.851639 193.8684 4.658444 6.737946 
6.044520 
1 1 1 -1  -5  19 o 135.8313 2.357777  3886.741       130.0161 3869.255       
212.7208 3897.168       164.2713 135.5415 3.738168 136.1212 2.874465 
-0.5797729     4.715554 
1 1 1 -1  -5  20 o 286.0714 8.949861  17552.54       1074.904 0.000000       
0.000000 17552.54       1074.904 ?        ?        286.0714 8.949861 ? ? 
1 1 1 -1  -5  21 o 167.1052 3.095599  5884.657       217.0175 6086.415       
314.3661 5700.968       299.9588 169.8319 4.408973 164.3784 4.346482 5.453522 
6.191199 
1 1 1 -1  -5  22 f 112.5249 2.931953  2693.440       132.1927 2592.598       
220.8963 2749.704       164.9997 110.7866 4.749221 114.2632 3.439521 -3.476593 
5.863906 
1 1 1 -1  -5  23 f 90.66431 3.285416  1829.572       116.2401 1458.441       
193.1113 2040.446       145.5646 82.93690 5.546014 98.39172 3.523858 -15.45482 
6.570833 
1 1 1 -1  -5  24 o 123.0214 3.517152  3191.176       167.7154 3261.621       
303.4706 3160.198       201.2403 123.7482 5.841154 122.2946 3.919483 1.453644 
7.034304 
1 1 1 -1  -5  25 o 160.2145 3.521148  5211.367       204.1170 5963.559       
423.5037 4983.763       232.9607 166.8929 6.044222 153.5361 3.614042 13.35678 
7.042295 
1 1 1 -1  -5  26 o 59.44257 3.604506  781.2776       81.89527 687.0004       
145.5748 824.9291       99.05650 56.49654 6.137412 62.38861 3.781802 -5.892063 
7.209012 
1 1 1 -1  -5  27 o 154.2683 3.969095  4995.882       236.8042 5484.529       
436.6482 4792.283       281.8527 158.7321 6.552212 149.8044 4.481450 8.927689 
7.938190 
1 1 1 -1  -5  28 o 86.34293 3.216838  1635.703       105.8805 1514.460       
191.7388 1688.895       127.0002 83.55923 5.465585 89.12663 3.394048 -5.567390 
6.433676 
1 1 1 -1  -5  29 o 65.00057 3.570212  957.5696       88.86202 813.7578       
155.2567 1027.633       108.3676 60.70409 6.091908 69.29705 3.724824 -8.592957 
7.140424 
1 1 1 -1  -5  30 o 44.06461 5.289194  502.7458       78.82044 352.9679       
152.6360 557.2096       92.04227 37.41890 9.654617 50.71032 4.323267 -13.29141 
10.57839 
1 1 1 -1  -5  31 o 58.71021 4.087925  801.0416       85.95734 714.8134       
167.9000 831.6695       100.0654 55.42453 7.215553 61.99587 3.844520 -6.571339 
8.175851 
1 1 1 -1  -5  32 o 31.30906 5.512336  272.8744       75.03013 137.4884       
140.2603 327.1458       88.80427 24.58029 9.519485 38.03782 5.560826 -13.45753 
11.02467 
1 1 1 -1  -5  33 o 26.75137 6.820713  184.8392       92.99075 231.2738       
165.4441 163.3949       112.4310 28.43405 10.49717 25.06870 8.711940 3.365347 
13.64143 
1 1 1 -1  -5  34 o 23.70036 6.615417  157.6871       99.18779 49.49100       
206.0497 190.3209       113.1618 21.62681 9.921516 25.77391 8.753199 -4.147102 
13.23083 
1 1 1 -1  -4  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -4  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -4  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -4  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -4  5  o 155.4333 2.258587  5127.503       142.5384 5296.052       
181.5905 4856.964       230.0616 158.8069 2.723608 152.0597 3.603722 6.747253 
4.517173 
1 1 1 -1  -4  6  o 85.46986 1.569192  1535.968       56.22363 1618.170       
79.04553 1451.795       79.98725 87.78827 2.144677 83.15145 2.291248 4.636818 
3.138384 
1 1 1 -1  -4  7  o 299.6533 3.963491  19115.44       473.3909 18111.02       
796.7740 19663.44       588.5269 293.4130 6.468102 305.8936 4.582652 -12.48062 
7.926981 
1 1 1 -1  -4  8  o 290.1775 3.811481  17562.46       411.7689 18005.45       
798.7548 17402.13       480.5436 292.5501 6.503307 287.8049 3.977001 4.745209 
7.622962 
1 1 1 -1  -4  9  o 536.1058 7.205194  61220.48       1586.473 57799.62       
2479.206 63592.66       2064.516 522.9732 11.29156 549.2383 8.953202 -26.26514 
14.41039 
1 1 1 -1  -4  10 o 557.5821 6.986165  66265.98       1428.303 66979.13       
1661.551 64247.32       2795.481 564.1138 7.015651 551.0504 12.08332 13.06348 
13.97233 
1 1 1 -1  -4  11 o 202.0456 2.873291  8580.203       241.4350 8598.535       
320.4072 8556.120       367.2470 202.3083 3.772328 201.7829 4.335060 0.5254974 
5.746582 
1 1 1 -1  -4  12 o 167.3712 2.756943  5876.500       193.5414 5679.077       
266.6804 6096.200       281.3243 164.4072 3.863592 170.3352 3.933905 -5.927994 
5.513887 
1 1 1 -1  -4  13 o 437.6582 5.544865  40438.12       882.5001 40508.91       
1019.819 40227.06       1760.885 438.8560 5.535057 436.4604 9.609643 2.395599 
11.08973 
1 1 1 -1  -4  14 o 90.99399 1.824442  1738.810       69.68204 1687.716       
98.05687 1790.935       99.04111 89.64326 2.605442 92.34472 2.554609 -2.701454 
3.648884 
1 1 1 -1  -4  15 o 135.5030 2.375714  3840.904       134.1906 3996.602       
203.9170 3721.979       178.2172 137.9078 3.521971 133.0982 3.189324 4.809616 
4.751428 
1 1 1 -1  -4  16 o 173.7348 4.289423  6348.371       312.8706 0.000000       
0.000000 6348.371       312.8706 ?        ?        173.7348 4.289423 ? ? 
1 1 1 -1  -4  17 o 129.6592 3.738820  3535.531       203.5245 3535.531       
203.5245 0.000000       0.000000 129.6592 3.738820 ?        ?        ? ? 
1 1 1 -1  -4  18 o 91.59018 2.398717  1747.829       88.68103 1706.002       
110.4528 1823.699       148.7607 90.08555 2.920402 93.09482 3.806130 -3.009270 
4.797434 
1 1 1 -1  -4  19 o 36.81625 3.335240  291.7078       49.56152 309.6886       
63.18525 262.9538       79.90246 38.34741 3.924648 35.28508 5.393741 3.062328 
6.670480 
1 1 1 -1  -4  20 o 40.09315 2.859455  336.7849       47.98569 370.6042       
71.09969 308.4935       65.02984 41.93069 4.038842 38.25562 4.048913 3.675064 
5.718911 
1 1 1 -1  -4  21 o 117.6497 2.192949  2901.677       106.2779 2972.396       
168.2648 2854.739       137.0823 118.8091 3.373376 116.4902 2.802934 2.318840 
4.385898 
1 1 1 -1  -4  22 o 125.0040 2.663847  3291.398       139.7660 3395.488       
199.7565 3191.569       195.6262 126.9418 3.748153 123.0663 3.786247 3.875565 
5.327693 
1 1 1 -1  -4  23 o 98.69756 2.215002  2032.194       90.27605 2150.429       
142.7714 1953.430       116.5283 101.0460 3.365448 96.34908 2.880745 4.696938 
4.430004 
1 1 1 -1  -4  24 o 153.9537 2.866779  4972.845       182.5091 4823.331       
236.7742 5191.737       286.4871 151.1927 3.730136 156.7146 4.354281 -5.521942 
5.733557 
1 1 1 -1  -4  25 o 88.00165 2.355296  1634.585       86.91661 1739.904       
123.7843 1532.163       122.0709 90.80977 3.246789 85.19353 3.412924 5.616234 
4.710593 
1 1 1 -1  -4  26 o 88.44984 3.435123  1615.490       109.4628 1764.566       
226.1355 1569.871       125.0952 90.72987 5.936625 86.16981 3.457855 4.560059 
6.870245 
1 1 1 -1  -4  27 o 26.83554 5.963645  129.0575       63.99970 231.1061       
140.9538 102.5557       71.83089 31.83109 9.684479 21.83999 6.962122 9.991098 
11.92729 
1 1 1 -1  -4  28 o 157.5224 3.747785  5349.608       179.3812 5350.774       
452.1244 5349.391       195.4201 156.0731 6.900030 158.9716 2.927998 -2.898514 
7.495571 
1 1 1 -1  -4  29 o 81.98633 3.278888  1425.510       104.0344 1509.713       
190.0354 1389.474       124.3182 83.28809 5.434664 80.68458 3.669992 2.603508 
6.557775 
1 1 1 -1  -4  30 o 38.15777 5.652899  336.0391       78.73475 353.1088       
156.6773 330.2720       91.06907 37.58563 9.821037 38.72991 5.600740 -1.144279 
11.30580 
1 1 1 -1  -4  31 f 48.94853 4.234298  533.0441       80.80655 548.2929       
143.9404 526.0267       97.64527 48.87496 7.014834 49.02210 4.744390 
-0.1471405     8.468596 
1 1 1 -1  -4  32 o 70.14020 4.079258  1170.796       103.6534 973.8142       
194.5991 1248.820       122.4733 64.41720 7.195484 75.86320 3.845310 -11.44600 
8.158517 
1 1 1 -1  -4  33 o 44.48640 5.390649  456.6741       84.47500 546.6434       
173.0292 428.5191       96.79453 45.42459 9.391896 43.54822 5.294213 1.876369 
10.78130 
1 1 1 -1  -4  34 o 75.86067 3.685535  1228.903       101.8734 1532.859       
210.8678 1136.360       116.3528 80.02744 6.276137 71.69389 3.865588 8.333549 
7.371069 
1 1 1 -1  -4  35 o 26.76311 7.278372  211.7847       101.8858 292.6880       
222.4559 190.3088       114.6136 28.00271 11.59322 25.52351 8.803184 2.479197 
14.55674 
1 1 1 -1  -3  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -3  2  o 303.6486 2.689454  19362.05       342.8581 0.000000       
0.000000 19362.05       342.8581 ?        ?        303.6486 2.689454 ? ? 
1 1 1 -1  -3  3  f 395.8733 3.279816  32915.40       545.1106 32915.40       
545.1106 0.000000       0.000000 395.8733 3.279816 ?        ?        ? ? 
1 1 1 -1  -3  4  o 314.5898 4.218227  20673.21       496.7227 20507.08       
581.7078 21120.43       954.4457 312.3993 4.435228 316.7802 7.176525 -4.380981 
8.436455 
1 1 1 -1  -3  5  o 218.1127 3.409885  9906.071       306.8614 10482.09       
486.6922 9525.984       395.3452 223.3065 5.191276 212.9188 4.422659 10.38768 
6.819770 
1 1 1 -1  -3  6  o 223.3524 3.460488  10467.99       322.5774 10636.42       
484.9616 10334.34       432.0039 224.9474 5.135083 221.7575 4.640134 3.189926 
6.920977 
1 1 1 -1  -3  7  o 180.3150 2.352720  6978.882       168.3477 7323.308       
209.5487 6351.935       282.7171 186.7453 2.672738 173.8848 3.872679 12.86050 
4.705441 
1 1 1 -1  -3  8  o 130.0498 2.041032  3543.641       111.0707 3648.434       
164.8804 3456.577       150.2874 131.8042 2.979619 128.2955 2.790181 3.508728 
4.082063 
1 1 1 -1  -3  9  o 106.7926 1.817535  2375.269       79.44850 2481.207       
128.7117 2310.061       100.9819 108.6968 2.820476 104.8884 2.293175 3.808365 
3.635070 
1 1 1 -1  -3  10 o 20.57664 3.016598  92.43509       25.76248 128.2464       
36.65495 57.47579       36.21629 24.70892 3.533458 16.44436 4.890206 8.264563 
6.033195 
1 1 1 -1  -3  11 o 312.4088 4.192622  20379.85       493.7896 20194.98       
580.6899 20862.63       938.3754 309.9989 4.461750 314.8186 7.099656 -4.819672 
8.385244 
1 1 1 -1  -3  12 o 265.6942 3.796679  14866.56       419.8313 14662.43       
634.7715 15025.28       559.7434 264.0403 5.726224 267.3480 4.986928 -3.307770 
7.593358 
1 1 1 -1  -3  13 o 208.4628 3.017382  9124.541       260.1718 9086.165       
339.6120 9179.062       404.7865 207.9523 3.889916 208.9732 4.613776 -1.020813 
6.034764 
1 1 1 -1  -3  14 o 408.4604 5.035759  35248.43       833.4739 34733.41       
1366.225 35553.73       1051.890 405.8904 8.017417 411.0305 6.095615 -5.140076 
10.07152 
1 1 1 -1  -3  15 o 60.28881 2.031390  764.1350       51.36190 725.2291       
72.78294 802.7299       72.49134 58.75778 2.950429 61.81983 2.793054 -3.062050 
4.062781 
1 1 1 -1  -3  16 o 127.5627 2.358165  3418.518       126.2679 3325.854       
177.1438 3514.227       180.0307 125.8051 3.353891 129.3203 3.315897 -3.515228 
4.716329 
1 1 1 -1  -3  17 o 141.3150 2.386340  4167.617       141.0000 3874.003       
189.2302 4534.122       211.4180 135.7622 3.319959 146.8679 3.428752 -11.10576 
4.772680 
1 1 1 -1  -3  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -3  20 o 100.3561 2.276094  2125.310       95.16942 2172.105       
127.7790 2067.012       142.6205 101.6164 2.995137 99.09575 3.428057 2.520683 
4.552189 
1 1 1 -1  -3  21 o 63.53072 2.314264  851.4523       61.47189 870.9549       
83.78436 828.7139       90.46870 64.32957 3.102225 62.73186 3.435035 1.597713 
4.628528 
1 1 1 -1  -3  22 o 95.97345 2.211080  1938.798       89.08221 1951.839       
125.3631 1925.497       126.6086 96.30159 3.100684 95.64531 3.152976 0.6562805 
4.422160 
1 1 1 -1  -3  23 o 183.3571 3.503623  7050.464       267.0255 7481.040       
412.3237 6739.435       350.4405 188.0731 5.221950 178.6411 4.672550 9.432007 
7.007245 
1 1 1 -1  -3  24 o 109.1536 2.161578  2514.922       98.80005 2345.614       
141.2664 2677.034       138.2317 105.5341 3.188360 112.7732 2.919596 -7.239151 
4.323156 
1 1 1 -1  -3  25 o 75.90570 2.369850  1202.498       75.08034 1099.139       
99.81198 1337.201       113.9455 72.19452 3.293059 79.61689 3.408890 -7.422371 
4.739701 
1 1 1 -1  -3  26 o 70.47606 2.506578  1048.859       73.89957 1060.175       
109.4955 1039.393       100.1484 70.80582 3.683395 70.14629 3.400638 0.6595306 
5.013157 
1 1 1 -1  -3  27 o 129.5028 2.636234  3551.909       143.2303 3517.687       
198.4506 3589.119       206.9320 128.8711 3.667903 130.1345 3.787533 -1.263351 
5.272468 
1 1 1 -1  -3  28 o 64.74483 2.611057  901.0839       69.54369 694.5071       
98.11526 1109.646       98.58569 57.11033 4.092069 72.37933 3.244295 -15.26899 
5.222115 
1 1 1 -1  -3  29 o 81.01942 3.258745  1386.735       98.54433 1463.379       
191.0817 1358.964       115.0200 82.10022 5.543652 79.93863 3.427186 2.161591 
6.517490 
1 1 1 -1  -3  30 o 35.22401 5.734970  288.9066       75.96027 287.3751       
150.3952 289.4311       88.01093 34.15561 9.909343 36.29240 5.776196 -2.136795 
11.46994 
1 1 1 -1  -3  31 o 16.25174 5.156298  -15.10317      65.49838 -47.13193      
130.1487 -4.239984      75.79636 17.66596 8.030034 14.83752 6.470563 2.828440 
10.31260 
1 1 1 -1  -3  32 o 56.34927 4.160377  636.8418       87.01331 895.5685       
179.5952 557.4799       99.46731 62.31725 6.864480 50.38128 4.702538 11.93597 
8.320753 
1 1 1 -1  -3  33 o 19.33290 5.757512  28.43641       69.15910 112.6398       
141.5011 2.008949       79.27252 23.48906 9.423333 15.17674 6.617897 8.312318 
11.51502 
1 1 1 -1  -3  34 o 18.02605 5.759504  2.267561       82.49762 -25.05379      
169.6136 10.73388       94.41850 19.57095 8.988122 16.48116 7.204250 3.089798 
11.51901 
1 1 1 -1  -3  35 o 17.79329 5.508989  29.38598       80.35281 -93.31294      
153.2859 75.87751       94.35581 16.55845 7.910377 19.02812 7.669536 -2.469675 
11.01798 
1 1 1 -1  -2  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -2  2  o 309.0803 2.400002  20144.62       309.5909 20917.09       
420.5993 19231.20       457.3627 315.5839 3.174495 302.5767 3.600363 13.00720 
4.800004 
1 1 1 -1  -2  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -2  4  o 485.6683 4.248553  49559.54       866.2828 0.000000       
0.000000 49559.54       866.2828 ?        ?        485.6683 4.248553 ? ? 
1 1 1 -1  -2  5  o 185.1287 2.358795  7027.262       158.4883 6864.971       
181.8467 7540.055       323.2423 180.8137 2.395494 189.4437 4.064145 -8.629974 
4.717591 
1 1 1 -1  -2  6  o 192.4616 2.513864  7650.233       164.3784 7560.875       
183.9871 8003.695       365.9242 189.7590 2.309436 195.1641 4.465932 -5.405090 
5.027728 
1 1 1 -1  -2  7  o 164.0996 2.629207  5656.633       181.0683 5870.926       
257.3804 5446.652       254.7779 167.1782 3.667051 161.0211 3.768775 6.157104 
5.258415 
1 1 1 -1  -2  8  o 99.57169 1.650313  1992.945       62.83335 1877.529       
73.81253 2296.672       119.7394 94.56496 1.859178 104.5784 2.727194 -10.01344 
3.300626 
1 1 1 -1  -2  9  o 268.9973 3.969218  15163.25       447.0003 15866.79       
662.6129 14575.67       605.5427 274.6937 5.745557 263.3008 5.477894 11.39288 
7.938435 
1 1 1 -1  -2  10 o 397.3841 4.900526  33580.82       742.6072 32394.40       
1363.832 34080.80       885.3627 392.1279 8.284266 402.6403 5.237512 -10.51239 
9.801051 
1 1 1 -1  -2  11 o 528.7436 6.662727  58968.43       1466.561 58958.84       
2222.550 58975.84       1951.790 528.5420 10.01597 528.9452 8.789083 
-0.4031982     13.32545 
1 1 1 -1  -2  12 o 143.6914 1.886845  4318.774       113.0621 4478.565       
171.3785 4195.632       150.4465 146.0327 2.795292 141.3501 2.535168 4.682587 
3.773690 
1 1 1 -1  -2  13 o 216.3588 2.095262  9754.500       187.3331 10255.12       
295.2144 9417.020       242.3867 220.9611 3.182313 211.7565 2.726422 9.204559 
4.190524 
1 1 1 -1  -2  14 o 407.1935 4.494485  34817.46       695.0864 34712.71       
822.6440 35078.88       1299.572 406.3477 4.822089 408.0395 7.586109 -1.691803 
8.988971 
1 1 1 -1  -2  15 o 406.3619 4.991458  34988.74       783.0944 35306.14       
940.7471 34272.53       1413.148 409.6701 5.469652 403.0537 8.351139 6.616394 
9.982916 
1 1 1 -1  -2  16 o 321.8376 4.542224  21777.70       597.7326 21636.80       
762.0626 22002.98       963.6124 320.6129 5.661489 323.0623 7.104558 -2.449402 
9.084449 
1 1 1 -1  -2  17 o 218.9966 2.910581  10102.60       267.0103 9772.887       
386.8687 10402.53       368.9850 215.5634 4.274739 222.4298 3.951270 -6.866379 
5.821162 
1 1 1 -1  -2  18 o 164.4396 3.439555  5663.007       232.2283 5839.115       
371.8262 5550.376       297.3567 166.4747 5.320015 162.4046 4.361145 4.070099 
6.879109 
1 1 1 -1  -2  19 o 81.89359 5.666105  1415.347       194.8110 0.000000       
0.000000 1415.347       194.8110 ?        ?        81.89359 5.666105 ? ? 
1 1 1 -1  -2  20 o 84.76414 2.141932  1510.468       75.58425 1505.904       
100.5139 1516.407       114.6627 84.62724 2.829026 84.90103 3.216846 
-0.2737885     4.283863 
1 1 1 -1  -2  21 o 26.89220 3.978400  162.8775       45.64212 253.4485       
64.13209 69.92007       64.97152 34.66181 4.407022 19.12259 6.624865 15.53922 
7.956801 
1 1 1 -1  -2  22 o 159.2565 2.892823  5220.497       188.3597 5899.835       
310.4620 4824.772       236.9528 167.1973 4.422831 151.3156 3.729916 15.88165 
5.785646 
1 1 1 -1  -2  23 o 80.59001 2.365007  1366.392       79.98616 1416.911       
114.9231 1318.929       111.3944 82.03417 3.336827 79.14584 3.352404 2.888329 
4.730013 
1 1 1 -1  -2  24 f 133.8143 2.770295  3771.510       155.3154 3711.955       
212.2144 3840.209       227.9243 132.6944 3.809284 134.9342 4.023367 -2.239838 
5.540589 
1 1 1 -1  -2  25 o 65.25505 2.522235  900.5310       68.91345 846.5939       
99.02723 951.1804       95.96173 63.34142 3.723813 67.16869 3.402924 -3.827267 
5.044470 
1 1 1 -1  -2  26 o 77.34940 2.473710  1258.299       80.11449 1138.208       
109.7736 1395.158       117.1874 73.40823 3.561839 81.29056 3.433697 -7.882324 
4.947421 
1 1 1 -1  -2  27 o 90.78680 2.430459  1742.733       92.62840 1752.957       
130.2910 1732.284       131.7133 91.06153 3.408008 90.51208 3.466123 0.5494461 
4.860919 
1 1 1 -1  -2  28 o 179.1857 2.600837  6733.309       179.4415 6620.731       
213.8355 7001.298       329.9223 177.0369 2.876982 181.3345 4.333635 -4.297607 
5.201675 
1 1 1 -1  -2  29 f 71.65126 2.520173  1090.235       75.65993 1188.282       
108.7570 998.2796       105.3242 74.79497 3.463425 68.50756 3.661935 6.287407 
5.040346 
1 1 1 -1  -2  30 o 35.32454 4.244849  276.2838       61.60639 296.8583       
90.55536 258.5566       84.05637 36.81478 5.858859 33.83430 6.144000 2.980476 
8.489697 
1 1 1 -1  -2  31 f 53.95882 2.818861  624.4501       63.71223 686.3021       
92.86768 569.4527       87.57083 56.49813 3.915179 51.41952 4.056510 5.078617 
5.637721 
1 1 1 -1  -2  32 o 70.36998 3.838766  1140.757       96.69308 1009.007       
189.0794 1187.414       112.5189 66.45469 6.777034 74.28527 3.607812 -7.830582 
7.677532 
1 1 1 -1  -2  33 o 44.02053 5.348765  511.5434       79.25228 371.8013       
155.3934 560.6703       92.13580 37.44878 9.778601 50.59228 4.337757 -13.14350 
10.69753 
1 1 1 -1  -2  34 o 53.56319 4.835608  641.1788       93.94312 764.0060       
192.8968 602.9885       107.5608 55.25846 8.314714 51.86792 4.939425 3.390549 
9.671215 
1 1 1 -1  -2  35 o 20.50602 6.090884  67.50007       79.19202 134.7270       
155.2188 43.84295       92.07752 23.46818 9.698009 17.54386 7.371844 5.924318 
12.18177 
1 1 1 -1  -1  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -1  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -1  3  o 253.4997 2.438343  13487.76       255.9768 13559.39       
396.5292 13436.58       335.1695 254.0639 3.717520 252.9355 3.156282 1.128418 
4.876687 
1 1 1 -1  -1  4  o 291.5397 3.548843  18046.98       411.0483 18446.16       
508.3105 17292.71       698.7270 296.3084 4.086073 286.7709 5.803546 9.537506 
7.097686 
1 1 1 -1  -1  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  -1  6  o 181.2431 2.466817  6913.351       187.1287 7097.571       
256.8535 6704.966       273.1802 183.8264 3.328118 178.6599 3.642028 5.166489 
4.933633 
1 1 1 -1  -1  7  o 142.0551 2.251017  4242.250       134.1216 4375.673       
187.6909 4103.028       191.7268 144.3416 3.097225 139.7686 3.267340 4.573074 
4.502034 
1 1 1 -1  -1  8  o 82.22864 1.625269  1402.856       55.77129 1613.726       
84.22458 1238.195       74.42617 87.66620 2.288378 76.79108 2.308532 10.87511 
3.250538 
1 1 1 -1  -1  9  o 227.8167 3.506806  10912.71       335.2817 10633.60       
476.1514 11187.20       472.1934 224.9215 5.042375 230.7120 4.874957 -5.790466 
7.013612 
1 1 1 -1  -1  10 o 259.0640 4.050560  14111.75       439.7426 14126.18       
641.8273 14098.97       603.7021 259.1755 5.898551 258.9525 5.552949 0.2230530 
8.101120 
1 1 1 -1  -1  11 o 151.3578 2.435877  4725.322       150.6300 5178.855       
247.5904 4458.812       189.7956 157.0108 3.755998 145.7048 3.102654 11.30595 
4.871753 
1 1 1 -1  -1  12 o 594.9796 5.479764  74624.59       1344.739 74929.34       
1747.777 74182.45       2105.207 596.6545 6.977248 593.3046 8.451583 3.349854 
10.95953 
1 1 1 -1  -1  13 o 262.0851 3.594426  14476.26       393.6843 14859.19       
535.9203 14027.41       580.2224 265.8802 4.801040 258.2901 5.350666 7.590118 
7.188853 
1 1 1 -1  -1  14 o 461.4708 6.875252  44918.85       1320.716 44625.13       
1754.512 45302.90       2006.247 459.9007 9.086848 463.0408 10.32015 -3.140045 
13.75050 
1 1 1 -1  -1  15 o 504.6992 6.180528  53735.91       1177.619 53721.87       
1389.399 53771.72       2219.088 505.1510 6.551288 504.2473 10.48219 0.9037170 
12.36106 
1 1 1 -1  -1  16 o 274.7700 2.889141  15339.36       256.1690 15053.32       
281.6787 16707.43       616.0240 267.7223 2.506055 281.8176 5.206557 -14.09531 
5.778282 
1 1 1 -1  -1  17 o 175.3396 2.422298  6460.337       178.2682 6483.751       
255.2404 6438.037       249.0908 175.6477 3.461210 175.0315 3.389710 0.6162415 
4.844596 
1 1 1 -1  -1  18 o 153.0914 2.576688  4921.000       153.3167 4910.344       
184.6151 4944.683       275.2208 152.8695 2.876520 153.3132 4.275852 
-0.4437408     5.153375 
1 1 1 -1  -1  19 o 272.1230 3.216878  15418.14       317.7819 15248.38       
365.7384 15941.13       641.9490 269.3076 3.234766 274.9383 5.561429 -5.630676 
6.433755 
1 1 1 -1  -1  20 o 84.31909 2.242810  1465.832       78.60952 1261.233       
103.1500 1749.279       121.4100 77.43890 3.172714 91.19929 3.170911 -13.76038 
4.485621 
1 1 1 -1  -1  21 o 248.1164 7.312275  13086.01       761.7051 13086.01       
761.7051 0.000000       0.000000 248.1164 7.312275 ?        ?        ? ? 
1 1 1 -1  -1  22 o 21.59818 4.486051  99.38555       46.57159 44.57071       
68.99593 145.2615       63.11997 17.52026 6.702684 25.67609 5.964280 -8.155828 
8.972102 
1 1 1 -1  -1  23 o 146.2501 2.680765  4513.998       164.3284 4357.040       
236.6294 4660.204       228.3810 143.7714 3.920282 148.7289 3.657512 -4.957520 
5.361530 
1 1 1 -1  -1  24 o 50.07377 2.922976  531.6508       61.07906 471.3918       
87.24527 589.5743       85.53771 47.26061 4.397073 52.88692 3.852391 -5.626316 
5.845953 
1 1 1 -1  -1  25 o 75.20964 2.424689  1191.392       76.53992 1156.598       
106.9018 1227.989       109.6376 74.08287 3.437071 76.33640 3.420967 -2.253532 
4.849378 
1 1 1 -1  -1  26 o 226.4961 4.186105  10934.13       397.9671 10916.08       
568.7286 10951.46       557.0733 226.2741 5.986751 226.7180 5.852581 
-0.4438629     8.372210 
1 1 1 -1  -1  27 o 58.52071 2.746864  728.4346       67.03655 820.8949       
94.51104 634.8190       95.09969 62.30901 3.612874 54.73241 4.138621 7.576599 
5.493727 
1 1 1 -1  -1  28 o 118.2870 2.407265  2913.715       115.2376 2792.144       
143.5290 3134.242       193.3092 114.9811 2.973268 121.5929 3.786738 -6.611786 
4.814531 
1 1 1 -1  -1  29 o 31.48156 4.372383  222.0005       55.68149 233.0834       
78.89712 211.0023       78.59480 32.32280 6.038154 30.64033 6.325473 1.682470 
8.744765 
1 1 1 -1  -1  30 f 86.20081 2.435428  1581.127       88.13410 1567.779       
124.8674 1594.378       124.4147 85.83119 3.465174 86.57043 3.423128 
-0.7392426     4.870856 
1 1 1 -1  -1  31 o 77.28221 2.467361  1270.147       79.75718 1126.132       
109.2327 1434.602       116.7273 72.57347 3.585054 81.99096 3.390999 -9.417488 
4.934723 
1 1 1 -1  -1  32 o 26.65553 5.291632  169.0937       61.48431 167.6240       
83.36606 170.8465       91.04430 26.57233 7.266226 26.73874 7.694637 
-0.1664009     10.58326 
1 1 1 -1  -1  33 o 74.23436 2.668840  1192.410       83.05882 1113.148       
116.7245 1273.710       118.2155 71.67282 3.879077 76.79590 3.666550 -5.123077 
5.337680 
1 1 1 -1  -1  34 o 19.92277 5.932362  38.27748       76.73450 110.0525       
145.9920 10.87965       90.19872 23.43845 9.501630 16.40709 7.105680 7.031363 
11.86472 
1 1 1 -1  -1  35 o 25.03448 6.845952  161.6602       107.3834 69.85475       
176.0030 216.0998       135.5325 22.28707 9.788301 27.78189 9.573787 -5.494812 
13.69190 
1 1 1 -1  -1  36 o 22.51908 6.793454  122.4071       113.4101 98.29501       
173.2548 140.4845       150.0158 21.98878 9.684114 23.04937 9.530059 -1.060596 
13.58691 
1 1 1 -1  0   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  0   2  o 237.5519 3.302261  11740.93       316.6275 11443.15       
394.1949 12282.38       531.5442 233.3831 4.023116 241.7207 5.237772 -8.337570 
6.604523 
1 1 1 -1  0   3  o 182.4717 2.139014  6983.932       155.6209 7020.499       
265.8967 6964.880       191.9256 182.8214 3.464232 182.1221 2.510102 0.6992340 
4.278027 
1 1 1 -1  0   4  o 300.2711 4.189701  18933.42       516.9662 19092.54       
821.5136 18829.10       665.1866 301.2601 6.495224 299.2821 5.293999 1.978058 
8.379401 
1 1 1 -1  0   5  o 198.2742 2.717618  8269.116       223.0530 8195.054       
344.7690 8322.433       292.5205 197.4969 4.158041 199.0514 3.500355 -1.554474 
5.435236 
1 1 1 -1  0   6  o 145.6982 2.034095  4458.805       123.6105 4450.955       
185.6505 4465.056       165.6735 145.5794 3.037506 145.8170 2.706239 
-0.2375183     4.068191 
1 1 1 -1  0   7  f 20.78636 2.644061  99.87063       21.91450 36.72492       
30.92405 163.5726       31.05995 13.66315 4.575779 27.90956 2.650751 -14.24641 
5.288122 
1 1 1 -1  0   8  o 94.23034 1.550517  1858.007       61.22367 1761.570       
83.49986 1970.131       90.03577 91.59528 2.171370 96.86539 2.213948 -5.270111 
3.101034 
1 1 1 -1  0   9  o 263.6224 2.930758  14141.82       230.5988 15263.31       
609.8266 13954.70       249.0942 269.4484 5.390783 257.7963 2.301484 11.65207 
5.861516 
1 1 1 -1  0   10 o 355.7827 5.142405  26672.48       764.9453 26964.97       
1038.864 26326.09       1130.532 357.9625 6.912615 353.6030 7.615317 4.359497 
10.28481 
1 1 1 -1  0   11 o 278.5613 3.041835  16148.79       343.6452 15721.51       
430.5493 16898.75       570.4111 273.5658 3.748713 283.5569 4.791471 -9.991089 
6.083670 
1 1 1 -1  0   12 o 290.0811 3.234835  17732.78       392.2001 18276.35       
534.9903 17101.24       576.6602 294.9179 4.320817 285.2444 4.815306 9.673462 
6.469670 
1 1 1 -1  0   13 o 335.3048 3.490224  23659.87       490.2020 24066.12       
674.2031 23204.24       714.0087 338.3792 4.745786 332.2304 5.119001 6.148773 
6.980449 
1 1 1 -1  0   14 o 212.5932 3.285190  9500.938       293.1753 9392.540       
416.5208 9607.371       412.7301 211.3885 4.693278 213.7980 4.598155 -2.409485 
6.570380 
1 1 1 -1  0   15 o 153.7770 2.124998  4973.831       136.3930 4900.515       
203.4011 5033.732       183.8542 152.7408 3.171899 154.8133 2.828697 -2.072495 
4.249997 
1 1 1 -1  0   16 o 255.0118 2.632803  13525.61       270.7242 14159.54       
455.6024 13179.60       336.5924 259.5496 4.181063 250.4741 3.200830 9.075546 
5.265605 
1 1 1 -1  0   17 o 102.5409 2.066421  2208.381       88.93768 2188.696       
124.1699 2229.119       127.4478 102.0724 2.897537 103.0094 2.946976 
-0.9369659     4.132843 
1 1 1 -1  0   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  0   19 o 207.9124 3.402903  9097.712       296.7908 8986.137       
410.4013 9220.036       429.7156 206.5876 4.731792 209.2372 4.891740 -2.649582 
6.805805 
1 1 1 -1  0   20 o 19.74969 4.334372  81.91103       39.71691 75.52989       
56.49093 88.14841       55.85092 19.17482 6.180359 20.32455 6.078673 -1.149736 
8.668743 
1 1 1 -1  0   21 o 200.8082 4.131923  8513.456       344.1650 8618.738       
530.7455 8437.061       452.1036 201.7668 6.265527 199.8495 5.388351 1.917297 
8.263846 
1 1 1 -1  0   22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  0   23 o 121.0180 2.473519  3069.755       124.8505 3209.546       
189.3433 2962.220       166.0679 123.4253 3.653985 118.6106 3.334903 4.814758 
4.947039 
1 1 1 -1  0   24 o 79.01165 2.472627  1316.636       81.11965 1302.434       
123.9128 1327.288       107.3109 78.61829 3.754168 79.40501 3.218971 
-0.7867126     4.945255 
1 1 1 -1  0   25 o 57.38895 2.881246  698.1097       68.26007 865.6588       
98.39125 542.6382       94.77870 64.08709 3.656849 50.69081 4.453511 13.39628 
5.762491 
1 1 1 -1  0   26 o 111.7491 2.570625  2627.944       119.9963 2567.696       
160.9870 2703.265       180.0013 110.3366 3.475299 113.1615 3.788766 -2.824944 
5.141250 
1 1 1 -1  0   27 o 13.83862 4.316550  -34.94148      51.63795 -89.35712      
74.25943 16.00617       71.85415 11.75875 5.577563 15.91848 6.589476 -4.159728 
8.633100 
1 1 1 -1  0   28 o 49.88381 3.038196  525.4174       63.44472 572.3124       
94.07651 486.2968       85.92527 51.91113 4.316600 47.85650 4.276624 4.054626 
6.076392 
1 1 1 -1  0   29 o 44.37771 3.497926  421.4552       65.15755 433.4241       
92.66662 409.7512       91.63541 45.00814 4.904032 43.74728 4.989229 1.260864 
6.995852 
1 1 1 -1  0   30 o 85.21036 2.390604  1541.336       85.49162 1507.152       
118.9719 1577.834       122.9322 84.23904 3.363970 86.18166 3.397596 -1.942619 
4.781208 
1 1 1 -1  0   31 o 19.70477 4.648575  58.19433       53.50962 152.9167       
77.07990 -29.91936      74.34238 25.72963 6.965237 13.67991 6.158123 12.04972 
9.297151 
1 1 1 -1  0   32 o 65.41457 2.712782  919.4921       74.47672 937.6842       
107.0447 902.4232       103.6874 66.03134 3.861324 64.79781 3.811421 1.233536 
5.425565 
1 1 1 -1  0   33 o 37.72366 4.042835  320.6619       61.73635 259.9411       
84.77135 389.2375       90.08775 33.46772 6.265031 41.97960 5.111502 -8.511883 
8.085670 
1 1 1 -1  0   34 o 36.85748 4.279206  312.2784       64.42649 271.0242       
88.58608 358.5997       93.86886 33.85666 6.463743 39.85829 5.609497 -6.001633 
8.558413 
1 1 1 -1  0   35 o 68.68771 3.620761  1059.129       104.0931 971.6650       
140.9664 1164.009       154.3639 65.58959 5.119194 71.78584 5.121864 -6.196251 
7.241522 
1 1 1 -1  0   36 o 37.64229 7.004694  441.2806       114.7427 356.8030       
181.7558 497.2576       147.9524 32.58929 11.09331 42.69529 8.555789 -10.10600 
14.00939 
1 1 1 -1  1   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  1   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  1   3  o 339.7078 4.089427  24222.29       575.0775 24007.71       
751.3638 24525.79       893.5592 337.9412 5.295783 341.4743 6.232845 -3.533142 
8.178855 
1 1 1 -1  1   4  o 115.7030 1.951356  2780.737       93.97681 2593.276       
123.5475 3038.122       144.7671 111.1277 2.648090 120.2783 2.866842 -9.150581 
3.902712 
1 1 1 -1  1   5  f 440.8401 5.529181  40589.21       1006.140 39185.28       
1298.562 42698.02       1591.510 431.4890 7.168262 450.1912 8.420415 -18.70224 
11.05836 
1 1 1 -1  1   6  o 622.1097 7.487508  81474.38       1955.614 81474.38       
1955.614 0.000000       0.000000 622.1097 7.487508 ?        ?        ? ? 
1 1 1 -1  1   7  f 174.4982 2.976600  6570.064       178.4296 6098.566       
379.5858 6703.797       202.1563 170.3247 5.308274 178.6716 2.694962 -8.346878 
5.953201 
1 1 1 -1  1   8  o 172.6252 2.123566  6262.953       151.4743 6231.955       
235.8261 6284.723       197.6332 172.2542 3.260943 172.9961 2.721100 
-0.7419739     4.247132 
1 1 1 -1  1   9  o 112.3190 1.734769  2622.704       80.62998 2799.658       
126.8085 2502.609       104.4673 115.4654 2.615880 109.1727 2.279225 6.292641 
3.469538 
1 1 1 -1  1   10 o 204.6940 2.268617  8779.330       192.6619 8667.381       
252.9692 8933.948       297.2972 203.1518 2.965979 206.2362 3.433579 -3.084381 
4.537235 
1 1 1 -1  1   11 o 273.6843 4.096108  15724.68       467.1177 15540.12       
621.8589 15963.65       707.6295 271.8723 5.448137 275.4963 6.118024 -3.624054 
8.192217 
1 1 1 -1  1   12 o 278.4549 2.905531  15756.86       262.3080 15462.99       
288.8082 17141.35       626.8662 271.3611 2.535029 285.5488 5.228964 -14.18768 
5.811061 
1 1 1 -1  1   13 o 657.0339 6.408847  90942.88       1755.100 90294.05       
2341.660 91774.57       2651.243 654.5353 8.521416 659.5326 9.574903 -4.997314 
12.81769 
1 1 1 -1  1   14 o 168.8767 2.267165  5915.780       149.8407 5789.170       
180.6547 6194.914       268.2390 166.0346 2.591623 171.7188 3.720705 -5.684174 
4.534331 
1 1 1 -1  1   15 o 177.2658 2.745619  6569.946       199.3158 6748.394       
321.2534 6458.265       254.1450 179.1956 4.270134 175.3360 3.452483 3.859589 
5.491237 
1 1 1 -1  1   16 f 144.5641 2.033318  4381.862       122.1002 4441.871       
187.3769 4337.576       160.9678 145.4170 3.069176 143.7113 2.667899 1.705765 
4.066636 
1 1 1 -1  1   17 o 209.1977 3.440862  9196.500       301.8400 9363.486       
439.3974 9047.293       415.3493 210.9862 4.960488 207.4091 4.769872 3.577148 
6.881724 
1 1 1 -1  1   18 o 83.93523 3.836018  1481.069       135.1773 0.000000       
0.000000 1481.069       135.1773 ?        ?        83.93523 3.836018 ? ? 
1 1 1 -1  1   19 o 135.0042 1.774726  3838.807       100.1801 3706.269       
147.0088 3953.719       136.8845 132.8175 2.636386 137.1908 2.376568 -4.373322 
3.549452 
1 1 1 -1  1   20 o 83.13684 1.974104  1452.628       68.89342 1456.234       
98.33844 1449.152       96.54628 83.23734 2.814014 83.03634 2.769417 0.2009964 
3.948208 
1 1 1 -1  1   21 o 88.83541 2.009833  1658.946       74.92670 1647.623       
104.2794 1671.031       107.7295 88.52396 2.805814 89.14687 2.878389 
-0.6229095     4.019666 
1 1 1 -1  1   22 o 57.03253 2.506012  655.3405       58.00489 800.8074       
98.50809 578.1340       71.76566 61.65438 3.805652 52.41068 3.261504 9.243694 
5.012025 
1 1 1 -1  1   23 o 45.57580 4.093294  438.0393       78.32243 0.000000       
0.000000 438.0393       78.32243 ?        ?        45.57580 4.093294 ? ? 
1 1 1 -1  1   24 o 113.0183 2.520086  2689.588       119.4961 2714.005       
172.5031 2667.063       165.6889 113.5052 3.619947 112.5315 3.507039 0.9737396 
5.040173 
1 1 1 -1  1   25 o 57.79008 2.868507  713.1416       68.59500 639.3403       
102.7476 772.4835       92.13395 55.03168 4.447130 60.54847 3.624412 -5.516788 
5.737014 
1 1 1 -1  1   26 o 34.39898 4.525576  257.8409       63.57015 305.5646       
90.51498 211.3891       89.30084 37.93501 5.683311 30.86296 7.044383 7.072042 
9.051151 
1 1 1 -1  1   27 o 103.5926 2.316607  2272.603       100.2451 2162.046       
147.1680 2368.302       136.9219 101.2028 3.463715 105.9825 3.077230 -4.779709 
4.633214 
1 1 1 -1  1   28 o 88.40374 2.352537  1651.678       87.27152 1670.023       
121.9388 1632.413       124.9577 88.91739 3.266451 87.89009 3.386447 1.027298 
4.705075 
1 1 1 -1  1   29 o 16.26151 4.624981  8.248424       53.08795 -56.24407      
75.61035 70.95507       74.55614 12.95554 5.970891 19.56749 7.064720 -6.611954 
9.249963 
1 1 1 -1  1   30 o 68.34952 2.592431  995.0945       74.23713 947.4360       
106.6632 1039.871       103.3877 66.72540 3.807540 69.97365 3.519294 -3.248253 
5.184862 
1 1 1 -1  1   31 o 102.1715 2.292471  2220.454       98.26333 2124.645       
139.0393 2316.061       138.8915 99.93964 3.313759 104.4034 3.168705 -4.463791 
4.584942 
1 1 1 -1  1   32 o 70.77106 2.555220  1065.877       75.54633 1226.369       
111.2285 928.4378       102.9307 75.73036 3.498380 65.81176 3.725309 9.918602 
5.110439 
1 1 1 -1  1   33 o 108.8588 2.738431  2557.140       125.1260 2562.471       
175.2400 2551.596       178.7211 109.0077 3.829104 108.7100 3.915863 0.2977371 
5.476862 
1 1 1 -1  1   34 o 38.55139 4.195750  343.5701       65.33707 381.3201       
89.52853 300.5551       95.56805 41.40749 5.149957 35.69530 6.625346 5.712189 
8.391500 
1 1 1 -1  1   35 o 30.70667 6.700164  254.7056       95.80935 289.1466       
135.3432 220.1099       135.6471 32.76693 9.366226 28.64641 9.583454 4.120522 
13.40033 
1 1 1 -1  1   36 o 28.77003 6.488262  229.0473       89.62269 174.8116       
120.8213 295.3987       133.6367 25.33369 9.008570 32.20637 9.340014 -6.872677 
12.97652 
1 1 1 -1  1   37 o 25.09344 6.555377  186.1341       94.68127 239.8600       
129.8600 125.1614       138.3411 27.98844 9.376800 22.19843 9.163377 5.790001 
13.11075 
1 1 1 -1  2   1  o 135.5578 1.626238  3757.493       88.06246 4181.356       
153.2594 3548.571       107.5985 141.1108 2.586949 130.0048 1.971368 11.10599 
3.252476 
1 1 1 -1  2   2  o 220.9803 2.240443  10237.50       206.6638 10089.04       
276.8504 10424.33       310.5832 219.1798 3.008609 222.7808 3.320635 -3.601044 
4.480887 
1 1 1 -1  2   3  o 202.3412 2.947639  8542.857       247.9051 8207.096       
325.5467 9006.315       382.4751 197.6516 3.923143 207.0309 4.400368 -9.379349 
5.895277 
1 1 1 -1  2   4  o 362.9395 2.896655  27469.30       429.6509 26806.00       
545.0336 28558.07       698.2913 357.2281 3.634115 368.6508 4.511724 -11.42261 
5.793311 
1 1 1 -1  2   5  o 245.5198 1.657101  12677.86       170.2922 12368.00       
249.0178 12950.07       233.3992 242.6941 2.443949 248.3455 2.238537 -5.651352 
3.314202 
1 1 1 -1  2   6  o 53.33240 1.406206  596.9817       31.46310 565.8074       
44.05447 629.4365       44.95013 51.91163 2.021373 54.75316 1.955432 -2.841534 
2.812413 
1 1 1 -1  2   7  o 348.9609 3.987885  24941.48       526.9107 24117.56       
617.9694 27135.67       1008.471 338.7922 4.344648 359.1296 6.688569 -20.33746 
7.975771 
1 1 1 -1  2   8  o 240.2005 2.981801  12083.18       294.1562 12309.79       
469.3662 11936.60       377.4847 242.0273 4.619218 238.3736 3.771919 3.653748 
5.963602 
1 1 1 -1  2   9  o 488.5754 6.175786  50038.75       1249.917 51899.13       
1947.565 48735.82       1629.863 496.1170 9.350373 481.0338 8.070429 15.08328 
12.35157 
1 1 1 -1  2   10 o 219.4845 2.040450  10137.39       185.9624 9974.196       
283.6426 10260.43       246.2787 217.9248 3.100172 221.0443 2.653803 -3.119431 
4.080899 
1 1 1 -1  2   11 o 155.4650 2.121007  5082.964       137.1748 5023.016       
207.9101 5129.177       182.5445 154.6470 3.202250 156.2829 2.782135 -1.635941 
4.242014 
1 1 1 -1  2   12 o 564.3813 6.226070  67434.78       1459.013 69290.84       
1940.778 65022.52       2212.540 573.5393 8.059976 555.2233 9.491711 18.31604 
12.45214 
1 1 1 -1  2   13 o 191.9994 2.806167  7707.958       225.2253 7371.542       
302.2807 8127.794       337.6853 187.3176 3.843729 196.6811 4.089504 -9.363464 
5.612334 
1 1 1 -1  2   14 o 111.0214 2.105826  2587.870       98.13592 2545.216       
137.1821 2632.577       140.4457 110.0849 2.968182 111.9579 2.987961 -1.872940 
4.211653 
1 1 1 -1  2   15 o 576.2985 5.792488  70246.59       1387.568 71831.80       
1848.967 68202.80       2099.446 583.9479 7.541817 568.6490 8.793900 15.29889 
11.58498 
1 1 1 -1  2   16 o 148.2880 1.945136  4623.110       120.5009 4568.565       
178.9838 4668.331       162.9680 147.4832 2.890627 149.0928 2.603555 -1.609573 
3.890273 
1 1 1 -1  2   17 o 239.6843 4.620315  12114.49       438.0960 12143.75       
536.6819 12056.06       758.4484 240.2535 5.320693 239.1152 7.555096 1.138367 
9.240630 
1 1 1 -1  2   18 o 174.7375 2.445128  6351.113       165.3499 6585.332       
301.4315 6250.300       197.7590 176.9813 4.056789 172.4937 2.730764 4.487595 
4.890257 
1 1 1 -1  2   19 o 74.81605 2.065712  1174.408       64.83569 1127.302       
89.64477 1226.076       93.88515 73.24546 2.915179 76.38663 2.927525 -3.141174 
4.131425 
1 1 1 -1  2   20 o 82.80626 1.848867  1440.892       64.25279 1442.964       
89.70807 1438.708       92.07239 82.86856 2.578474 82.74396 2.650417 0.1246033 
3.697734 
1 1 1 -1  2   21 o 127.3395 1.938529  3399.737       103.4989 3196.856       
142.3414 3627.325       150.7602 123.3187 2.749309 131.3603 2.733656 -8.041603 
3.877057 
1 1 1 -1  2   22 o 67.94572 2.091871  970.2034       59.25191 821.5063       
81.94232 1133.151       85.77900 62.48640 3.123517 73.40504 2.783403 -10.91864 
4.183742 
1 1 1 -1  2   23 o 14.86174 4.297910  14.64554       42.99712 31.66706       
61.14519 -2.004640      60.47457 15.95024 6.262659 13.77324 5.887887 2.177004 
8.595819 
1 1 1 -1  2   24 o 93.36057 2.533340  1817.654       98.40683 1968.803       
151.7357 1707.929       129.2820 96.66247 3.738961 90.05866 3.419272 6.603806 
5.066680 
1 1 1 -1  2   25 o 109.9676 5.327355  2558.489       245.9549 2558.489       
245.9549 0.000000       0.000000 109.9676 5.327355 ?        ?        ? ? 
1 1 1 -1  2   26 o 130.4343 2.858463  3558.520       153.9963 3763.442       
243.3233 3421.594       198.8989 133.4858 4.341800 127.3828 3.719142 6.102959 
5.716926 
1 1 1 -1  2   27 o 98.84587 2.521295  2001.651       102.2501 2345.404       
167.4854 1797.405       129.1011 105.3782 3.785708 92.31351 3.331086 13.06471 
5.042591 
1 1 1 -1  2   28 o 15.93696 4.856969  -19.73840      59.39299 33.07592       
93.71937 -55.18575      76.77952 18.70333 7.601377 13.17058 6.048111 5.532754 
9.713938 
1 1 1 -1  2   29 o 86.29071 2.402762  1569.401       86.87621 1703.904       
127.1784 1451.728       118.9563 89.74857 3.375258 82.83285 3.420630 6.915726 
4.805525 
1 1 1 -1  2   30 o 55.59857 2.852509  658.2317       66.56763 667.1813       
93.54958 649.0521       94.74349 55.99189 3.979584 55.20524 4.087805 0.7866516 
5.705019 
1 1 1 -1  2   31 o 32.57441 4.379683  238.5249       58.01410 310.6889       
83.34692 170.7024       80.80097 37.88995 5.239460 27.25887 7.019583 10.63108 
8.759366 
1 1 1 -1  2   32 o 71.36055 2.685112  1086.667       80.28342 1004.158       
109.9012 1181.079       117.5612 68.45702 3.823892 74.26408 3.770565 -5.807053 
5.370224 
1 1 1 -1  2   33 o 37.53230 3.832798  311.2999       60.20808 283.5753       
84.94212 339.2936       85.35355 35.76891 5.656378 39.29568 5.173660 -3.526768 
7.665596 
1 1 1 -1  2   34 o 26.94981 5.626445  176.9053       68.80479 144.1279       
96.13189 211.3326       98.52145 24.56375 8.067717 29.33588 7.844712 -4.772135 
11.25289 
1 1 1 -1  2   35 f 49.95206 4.588281  579.9073       95.34533 583.1415       
127.1764 575.7563       144.0768 50.45726 6.003491 49.44686 6.940273 1.010406 
9.176562 
1 1 1 -1  2   36 o 18.46829 5.735918  18.89181       86.39935 47.60785       
118.4043 -13.81142      126.3573 19.33890 8.251986 17.59767 7.969176 1.741230 
11.47184 
1 1 1 -1  2   37 o 59.58596 4.283431  856.5165       107.0337 809.1063       
147.5494 909.1741       155.5005 57.82315 6.077944 61.34877 6.037359 -3.525623 
8.566861 
1 1 1 -1  3   1  o 507.7576 6.638189  54241.88       1415.093 0.000000       
0.000000 54241.88       1415.093 ?        ?        507.7576 6.638189 ? ? 
1 1 1 -1  3   2  o 206.6902 3.059472  8975.714       265.4780 8888.691       
373.5278 9064.547       377.3871 205.6779 4.325699 207.7025 4.327793 -2.024536 
6.118943 
1 1 1 -1  3   3  o 357.7570 2.964104  26699.45       431.0949 26143.82       
542.6865 27649.70       709.7009 352.7863 3.664024 362.7278 4.660318 -9.941467 
5.928207 
1 1 1 -1  3   4  o 105.3490 1.494150  2326.739       65.84413 2370.414       
97.77335 2290.494       89.06941 106.2514 2.191831 104.4467 2.031211 1.804718 
2.988301 
1 1 1 -1  3   5  o 193.2779 1.797578  7784.192       142.1488 8107.438       
230.4198 7585.584       180.6138 196.4858 2.793249 190.0699 2.263386 6.415863 
3.595157 
1 1 1 -1  3   6  o 164.9179 2.633453  5698.681       181.4534 5857.078       
271.8630 5571.429       243.6730 166.9743 3.878122 162.8615 3.563773 4.112854 
5.266907 
1 1 1 -1  3   7  o 130.6273 2.016346  3573.897       109.2855 3644.647       
168.6716 3522.706       143.4740 131.7348 3.049740 129.5199 2.638502 2.214813 
4.032692 
1 1 1 -1  3   8  o 30.92659 2.078628  201.1904       26.94271 189.6386       
38.38019 212.4142       37.83125 30.04943 3.042229 31.80375 2.833306 -1.754316 
4.157256 
1 1 1 -1  3   9  o 183.4868 2.768555  7051.968       212.6340 6819.444       
287.8932 7331.060       315.4063 180.1726 3.805955 186.8009 4.021727 -6.628250 
5.537109 
1 1 1 -1  3   10 o 248.6291 3.157181  12935.89       321.0598 13225.66       
518.6978 12755.93       408.7785 250.8491 4.925190 246.4091 3.951413 4.439957 
6.314362 
1 1 1 -1  3   11 o 148.6685 1.966260  4607.166       121.6490 4398.682       
160.2223 4890.925       186.9228 144.7298 2.636853 152.6071 2.917486 -7.877213 
3.932521 
1 1 1 -1  3   12 o 291.0969 4.107612  17674.78       491.6566 17132.35       
629.8370 18520.89       786.6259 285.4735 5.255130 296.7202 6.314547 -11.24670 
8.215223 
1 1 1 -1  3   13 o 145.9596 2.183629  4455.529       130.5255 4559.367       
210.1926 4390.356       166.5236 147.3299 3.398189 144.5893 2.743219 2.740616 
4.367258 
1 1 1 -1  3   14 f 329.3918 3.395864  22767.12       461.2644 23010.28       
725.6335 22602.23       597.5240 330.8256 5.224434 327.9581 4.339683 2.867523 
6.791728 
1 1 1 -1  3   15 o 316.5895 3.229562  21045.45       423.3078 20940.93       
553.7610 21192.40       656.5816 315.6774 4.178303 317.5017 4.925653 -1.824310 
6.459123 
1 1 1 -1  3   16 o 188.9582 2.632282  7465.067       206.0396 7284.006       
268.7413 7723.265       320.9216 186.2050 3.437671 191.7114 3.987236 -5.506485 
5.264564 
1 1 1 -1  3   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  3   18 o 38.24247 3.152330  314.3710       49.48042 261.9655       
73.99004 356.7690       66.55135 35.28662 4.994411 41.19833 3.847675 -5.911709 
6.304660 
1 1 1 -1  3   19 o 82.29388 1.951379  1427.220       67.15976 1361.955       
98.00114 1485.010       92.21884 80.51096 2.899327 84.07680 2.612550 -3.565842 
3.902757 
1 1 1 -1  3   20 o 104.2097 2.243463  2290.875       97.69326 2184.492       
143.2654 2383.337       133.5626 101.9322 3.347736 106.4873 2.987502 -4.555138 
4.486926 
1 1 1 -1  3   21 o 217.0154 3.359280  9866.062       302.3901 9557.496       
395.2949 10301.36       469.5048 213.0077 4.420252 221.0230 5.059686 -8.015366 
6.718561 
1 1 1 -1  3   22 o 130.1154 1.981999  3559.785       108.1899 3568.314       
156.1359 3551.908       150.0526 130.2610 2.855021 129.9697 2.749933 0.2913055 
3.963998 
1 1 1 -1  3   23 o 103.8523 2.027013  2277.575       88.03709 2123.504       
127.2264 2419.126       121.9478 100.4574 3.016589 107.2471 2.708379 -6.789658 
4.054026 
1 1 1 -1  3   24 o 47.31077 2.749355  469.6906       53.69920 361.3482       
73.07643 596.8669       79.17376 41.38971 4.205388 53.23183 3.542672 -11.84212 
5.498710 
1 1 1 -1  3   25 o 170.8950 3.182812  6123.679       221.9256 6335.840       
361.7866 5995.687       281.0039 173.1481 4.976863 168.6419 3.968879 4.506241 
6.365624 
1 1 1 -1  3   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  3   27 o 57.44955 2.946098  699.2470       70.77926 676.5736       
103.8129 718.9418       96.75352 56.55735 4.372032 58.34175 3.950103 -1.784397 
5.892196 
1 1 1 -1  3   28 o 140.1643 3.083552  4084.676       175.2885 4468.359       
293.4584 3871.845       218.5634 145.0329 4.819491 135.2958 3.847814 9.737030 
6.167104 
1 1 1 -1  3   29 o 18.56438 5.161657  41.86143       58.64104 67.65641       
90.59345 23.25917       76.93289 20.38296 7.714534 16.74581 6.859794 3.637146 
10.32331 
1 1 1 -1  3   30 o 86.71005 2.516882  1586.975       90.83976 1649.697       
138.9191 1540.121       120.0667 88.15068 3.753682 85.26942 3.353900 2.881256 
5.033764 
1 1 1 -1  3   31 o 146.5222 2.842272  4578.114       174.7265 4355.235       
243.1739 4815.993       251.2240 142.8174 4.055616 150.2271 3.983217 -7.409653 
5.684544 
1 1 1 -1  3   32 o 36.30537 4.309526  294.6547       62.38278 201.2558       
84.98909 403.7553       91.85564 29.48255 6.967971 43.12819 5.073009 -13.64564 
8.619052 
1 1 1 -1  3   33 o 27.94438 4.755144  183.7047       60.32970 87.28010       
87.42715 271.3591       83.35651 20.84813 7.638079 35.04063 5.666157 -14.19250 
9.510288 
1 1 1 -1  3   34 o 22.29527 5.653070  91.07974       69.93555 30.48936       
91.23399 177.4112       108.9029 17.65279 7.373411 26.93776 8.570975 -9.284966 
11.30614 
1 1 1 -1  3   35 o 21.35394 6.017156  80.24004       83.12509 122.2970       
114.3160 33.05150       121.0894 23.31117 8.701667 19.39670 8.312980 3.914471 
12.03431 
1 1 1 -1  3   36 o 53.32582 4.317829  668.0501       94.45090 813.9316       
133.3085 521.0021       133.8405 59.87886 5.302804 46.77278 6.815780 13.10608 
8.635657 
1 1 1 -1  3   37 o 55.17857 4.477634  734.2909       103.4061 690.2902       
139.6662 787.6721       153.8352 53.48943 6.219340 56.86770 6.443341 -3.378269 
8.955269 
1 1 1 -1  4   1  o 422.4312 3.313369  37213.27       559.7661 36573.91       
690.3433 38440.54       956.4536 417.2435 3.940910 427.6188 5.327558 -10.37524 
6.626737 
1 1 1 -1  4   2  o 292.6744 3.238890  18052.37       377.4220 18165.77       
465.8307 17835.71       643.9155 294.0662 3.773150 291.2825 5.265450 2.783661 
6.477779 
1 1 1 -1  4   3  o 495.2298 5.614218  51545.77       1165.472 53408.56       
1706.460 49917.19       1595.574 503.5726 8.071515 486.8870 7.805666 16.68558 
11.22844 
1 1 1 -1  4   4  o 194.5227 1.779591  7939.565       145.0777 7847.544       
198.8148 8044.371       212.1783 193.3197 2.449592 195.7257 2.582106 -2.406036 
3.559181 
1 1 1 -1  4   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  4   6  o 79.07504 1.524056  1294.753       49.99128 1426.922       
78.25383 1203.622       64.97911 82.43640 2.261037 75.71368 2.044186 6.722725 
3.048112 
1 1 1 -1  4   7  o 243.5733 3.576905  12471.04       365.5456 12447.15       
526.1314 12493.34       508.2513 243.3419 5.149894 243.8046 4.965438 
-0.4626923     7.153810 
1 1 1 -1  4   8  f 131.9285 2.190925  3524.933       117.6994 3160.674       
146.5746 4186.202       197.4889 122.6805 2.845800 141.1765 3.331972 -18.49601 
4.381851 
1 1 1 -1  4   9  o 416.2315 5.360922  36498.19       935.7000 35952.92       
1350.855 37001.10       1297.327 413.2076 7.786845 419.2554 7.370412 -6.047791 
10.72184 
1 1 1 -1  4   10 o 133.7534 2.189643  3729.700       121.7651 3947.975       
187.7768 3571.317       159.9537 137.1019 3.262266 130.4049 2.921604 6.696960 
4.379287 
1 1 1 -1  4   11 o 479.2543 6.430687  48408.46       1293.707 47547.57       
1810.716 49306.17       1849.042 474.9059 9.081632 483.6027 9.107080 -8.696869 
12.86137 
1 1 1 -1  4   12 o 71.08089 1.808997  1061.698       53.94459 1035.893       
77.17069 1086.357       75.43719 70.23510 2.617094 71.92667 2.498139 -1.691566 
3.617994 
1 1 1 -1  4   13 o 296.1577 4.416742  18447.29       546.6926 18488.61       
813.0291 18413.20       738.5994 296.4308 6.532867 295.8846 5.945763 0.5462341 
8.833485 
1 1 1 -1  4   14 o 547.5189 4.617054  63010.88       983.9915 63266.74       
1761.030 62894.74       1186.490 548.0794 7.653223 546.9584 5.166907 1.120972 
9.234108 
1 1 1 -1  4   15 o 284.6704 3.131361  17023.39       365.9370 17068.64       
582.4130 16993.87       470.3794 284.9479 4.868405 284.3930 3.939585 0.5548706 
6.262722 
1 1 1 -1  4   16 o 100.7232 2.159537  2139.251       90.95700 1996.926       
131.6335 2269.300       125.8281 97.50127 3.215712 103.9451 2.883332 -6.443802 
4.319075 
1 1 1 -1  4   17 o 132.5137 3.842622  3648.142       212.2430 3122.603       
283.9321 4313.698       319.5242 121.8259 5.551315 143.2014 5.314684 -21.37553 
7.685244 
1 1 1 -1  4   18 o 149.0891 2.135231  4687.731       128.6216 4602.616       
212.1358 4737.211       161.7429 147.9983 3.414117 150.1800 2.565277 -2.181671 
4.270462 
1 1 1 -1  4   19 o 153.9349 2.354095  4994.958       146.9233 4922.252       
240.5480 5038.221       185.5570 153.0146 3.744466 154.8551 2.854124 -1.840469 
4.708189 
1 1 1 -1  4   20 o 170.1681 2.533262  6108.711       179.4924 5926.090       
269.5647 6254.174       240.5816 167.8555 3.825150 172.4807 3.322332 -4.625183 
5.066524 
1 1 1 -1  4   21 o 39.19340 3.027497  320.6767       49.46803 346.2658       
75.51511 301.4416       65.47163 40.54675 4.436076 37.84006 4.121188 2.706688 
6.054995 
1 1 1 -1  4   22 o 121.9546 2.298762  3110.148       116.9463 2972.342       
155.4391 3289.901       177.5273 118.8717 3.114605 125.0376 3.381783 -6.165909 
4.597523 
1 1 1 -1  4   23 f 134.5403 2.045114  3807.209       115.5021 3720.178       
162.2684 3896.587       164.4426 132.9807 2.906475 136.0999 2.877911 -3.119293 
4.090228 
1 1 1 -1  4   24 o 109.7000 2.209461  2534.595       101.6440 2494.352       
146.5967 2571.854       141.0561 108.8530 3.207783 110.5471 3.039244 -1.694145 
4.418922 
1 1 1 -1  4   25 o 208.5916 3.297296  9185.370       287.5674 9208.063       
426.6841 9166.485       389.2519 208.7729 4.868033 208.4103 4.448695 0.3625641 
6.594591 
1 1 1 -1  4   26 o 166.5113 2.856902  5816.772       199.0959 5242.492       
271.3272 6486.710       293.0548 157.6430 4.099584 175.3797 3.980070 -17.73671 
5.713803 
1 1 1 -1  4   27 o 299.6411 6.772276  19187.80       753.8093 20160.29       
1468.655 18839.98       878.3300 302.4402 11.56648 296.8421 7.047796 5.598114 
13.54455 
1 1 1 -1  4   28 o 113.8226 2.664458  2725.153       126.2769 2838.165       
192.9127 2640.426       167.0347 115.8352 3.966809 111.8101 3.558336 4.025162 
5.328915 
1 1 1 -1  4   29 o 59.56137 2.959986  770.2452       72.24975 626.5517       
107.2396 889.6797       97.76903 54.27223 4.706503 64.85051 3.590947 -10.57828 
5.919972 
1 1 1 -1  4   30 o 112.1241 2.603568  2663.739       122.3741 2706.062       
178.6180 2626.300       167.9962 112.9361 3.767154 111.3120 3.594833 1.624168 
5.207136 
1 1 1 -1  4   31 o 114.2237 2.729085  2775.478       130.4075 2815.801       
193.3231 2741.811       176.6507 114.9204 4.006894 113.5271 3.706267 1.393234 
5.458169 
1 1 1 -1  4   32 o 120.9052 2.897887  3130.802       146.9923 3082.883       
203.4595 3183.123       212.5985 119.9734 4.039376 121.8370 4.156253 -1.863655 
5.795774 
1 1 1 -1  4   33 o 85.32864 2.562467  1557.564       91.72233 1508.494       
126.6113 1611.760       133.0586 83.93073 3.593128 86.72656 3.654365 -2.795837 
5.124935 
1 1 1 -1  4   34 o 69.50511 3.292279  1052.705       95.89912 1004.913       
130.9159 1108.045       140.8746 67.84281 4.596314 71.16742 4.714902 -3.324608 
6.584558 
1 1 1 -1  4   35 o 32.22238 6.254193  266.5474       87.59739 238.9640       
125.4095 292.8261       122.4079 30.44592 9.109353 33.99884 8.572012 -3.552925 
12.50839 
1 1 1 -1  4   36 o 41.18295 5.700709  422.7600       96.11610 308.5088       
131.4989 553.8169       140.8386 34.07651 9.040626 48.28939 6.946901 -14.21288 
11.40142 
1 1 1 -1  4   37 o 56.06704 4.205255  743.0516       98.88409 773.5309       
139.3394 712.1273       140.3526 57.39676 5.782393 54.73732 6.107421 2.659439 
8.410509 
1 1 1 -1  4   38 o 18.75884 5.781182  45.50729       86.92363 84.48094       
120.2220 2.815110       125.8266 20.11394 8.436306 17.40374 7.906770 2.710201 
11.56236 
1 1 1 -1  5   1  o 445.9480 3.329077  41043.61       544.6820 43338.05       
1088.647 40277.45       629.0828 453.9938 5.711608 437.9022 3.421777 16.09158 
6.658155 
1 1 1 -1  5   2  o 254.2806 3.205297  13565.51       334.9181 13692.33       
532.3945 13482.46       430.8507 255.2358 4.968360 253.3254 4.051064 1.910416 
6.410594 
1 1 1 -1  5   3  f 254.6805 2.377443  13607.26       253.0685 13456.23       
341.2136 13791.91       377.2846 253.1181 3.210881 256.2429 3.507020 -3.124771 
4.754887 
1 1 1 -1  5   4  o 361.4248 5.291220  27488.16       802.2372 27234.42       
1110.198 27765.45       1160.545 359.6978 7.351632 363.1518 7.611934 -3.453979 
10.58244 
1 1 1 -1  5   5  o 309.0254 3.342178  20060.21       433.4822 19717.49       
604.0369 20424.13       622.4504 306.3074 4.697071 311.7434 4.755854 -5.436035 
6.684356 
1 1 1 -1  5   6  o 252.3568 2.346211  13382.19       248.2422 13247.56       
359.5497 13504.84       343.1587 251.1394 3.410085 253.5743 3.223375 -2.434937 
4.692422 
1 1 1 -1  5   7  f 306.5939 4.602931  19758.44       591.3300 20029.65       
866.2750 19521.80       809.1757 308.5441 6.687436 304.6438 6.326617 3.900238 
9.205861 
1 1 1 -1  5   8  o 34.68736 2.145795  253.5883       30.19133 173.5208       
41.17528 346.6921       44.40094 28.74233 3.412209 40.63238 2.602801 -11.89005 
4.291589 
1 1 1 -1  5   9  o 102.7850 1.691791  2199.783       72.09892 2332.473       
112.4473 2107.150       93.95332 105.3930 2.541315 100.1769 2.233910 5.216095 
3.383583 
1 1 1 -1  5   10 o 72.71381 1.639305  1098.036       49.76904 977.1780       
66.51974 1251.719       75.01091 68.21844 2.322575 77.20917 2.314071 -8.990723 
3.278609 
1 1 1 -1  5   11 f 261.6983 3.153070  14389.93       346.0445 14361.37       
478.0291 14421.37       501.5817 261.4318 4.355289 261.9648 4.560576 
-0.5330505     6.306140 
1 1 1 -1  5   12 o 536.2202 7.824037  60752.48       1761.058 60647.82       
2513.439 60853.40       2468.201 535.7319 11.17485 536.7085 10.95376 
-0.9765625     15.64807 
1 1 1 -1  5   13 o 261.4276 2.570230  14310.48       279.7746 14008.74       
370.7430 14709.62       426.3893 258.2478 3.419459 264.6074 3.838181 -6.359558 
5.140461 
1 1 1 -1  5   14 o 195.0751 2.824536  7970.548       229.9470 8215.789       
346.8304 7778.200       307.1597 197.7359 4.177848 192.4143 3.802315 5.321640 
5.649072 
1 1 1 -1  5   15 f 445.8700 4.024706  41730.54       713.0302 41558.96       
875.9078 42067.60       1227.672 444.6528 4.692005 447.0873 6.540500 -2.434509 
8.049413 
1 1 1 -1  5   16 o 201.2374 3.928516  8430.253       328.8885 7911.566       
431.8243 9146.752       507.5307 193.9599 5.302934 208.5149 5.797573 -14.55504 
7.857032 
1 1 1 -1  5   17 o 425.7543 4.758929  38023.04       725.8954 38472.91       
1487.189 37882.34       831.6970 427.0367 8.295106 424.4720 4.666994 2.564758 
9.517858 
1 1 1 -1  5   18 o 174.4361 2.960605  6419.344       215.2922 6191.714       
320.9641 6605.533       290.2811 171.5977 4.455188 177.2745 3.900260 -5.676788 
5.921210 
1 1 1 -1  5   19 o 309.3727 4.382382  20180.34       563.1573 20112.13       
860.6439 20231.42       744.7230 308.8248 6.637927 309.9206 5.723549 -1.095825 
8.764764 
1 1 1 -1  5   20 o 157.3371 2.119316  5208.573       139.3092 5139.406       
206.7800 5266.059       188.5109 156.3700 3.149750 158.3042 2.836384 -1.934219 
4.238632 
1 1 1 -1  5   21 o 68.41083 2.242393  985.4300       64.31273 941.6296       
91.95537 1027.369       89.98066 66.91699 3.273119 69.90466 3.065943 -2.987671 
4.484787 
1 1 1 -1  5   22 f 54.54694 2.426795  627.8365       55.17409 610.6430       
82.53560 641.7275       74.18640 53.86128 3.649940 55.23260 3.199263 -1.371319 
4.853591 
1 1 1 -1  5   23 o 55.76299 2.458679  657.0336       57.27886 627.0901       
84.12413 682.9138       78.20811 54.56465 3.672233 56.96132 3.270339 -2.396664 
4.917359 
1 1 1 -1  5   24 f 200.6418 2.323315  8480.494       195.5065 8360.241       
281.8065 8592.078       271.4597 199.2545 3.368711 202.0290 3.200463 -2.774475 
4.646631 
1 1 1 -1  5   25 o 118.2375 2.282665  2942.990       113.3041 2935.395       
161.0815 2950.427       159.4040 118.0843 3.249185 118.3906 3.207030 
-0.3062973     4.565331 
1 1 1 -1  5   26 o 106.9433 2.185989  2403.983       98.04428 2337.801       
134.9572 2477.952       142.6756 105.3907 3.050106 108.4959 3.132257 -3.105255 
4.371977 
1 1 1 -1  5   27 o 162.7737 2.317144  5507.490       156.2038 5155.465       
202.2814 6027.479       245.8481 156.4534 3.079583 169.0939 3.463061 -12.64043 
4.634287 
1 1 1 -1  5   28 o 220.6792 3.202250  10263.52       289.9770 10581.87       
464.9256 10060.83       370.9764 223.2585 4.960169 218.1000 4.051462 5.158524 
6.404500 
1 1 1 -1  5   29 o 76.54346 5.156956  1248.670       165.7221 1248.670       
165.7221 0.000000       0.000000 76.54346 5.156956 ?        ?        ? ? 
1 1 1 -1  5   30 o 23.24119 5.562664  111.9701       64.70411 103.4765       
94.02798 119.6097       89.17558 22.77494 7.962085 23.70744 7.770337 
-0.9324970     11.12533 
1 1 1 -1  5   31 f 78.84663 2.594876  1332.004       84.91891 1236.052       
127.2753 1408.989       114.0046 76.18143 3.979385 81.51184 3.331368 -5.330406 
5.189752 
1 1 1 -1  5   32 o 42.29421 4.151702  405.1977       69.18764 293.7814       
99.29996 510.3197       96.45429 35.92057 6.830967 48.66785 4.720635 -12.74728 
8.303404 
1 1 1 -1  5   33 o 80.76218 2.602309  1390.402       87.32029 1439.317       
134.4155 1354.687       114.8572 81.88345 3.909977 79.64089 3.435131 2.242561 
5.204617 
1 1 1 -1  5   34 o 93.93591 3.383586  1926.989       133.0897 2121.408       
191.5207 1745.429       185.0791 98.63634 4.624874 89.23548 4.940159 9.400864 
6.767173 
1 1 1 -1  5   35 o 25.51374 5.988624  146.6082       81.11501 240.7640       
116.2652 57.31519       113.2231 30.87403 8.635199 20.15346 8.299869 10.72057 
11.97725 
1 1 1 -1  5   36 o 57.49321 3.948195  751.8666       94.60440 855.7850       
134.5843 650.3635       133.0112 61.72141 5.193733 53.26501 5.947951 8.456406 
7.896390 
1 1 1 -1  5   37 o 73.92445 3.660302  1234.233       112.5451 1488.393       
167.7512 1026.188       151.7715 81.05095 4.929791 66.79797 5.411877 14.25298 
7.320605 
1 1 1 -1  5   38 o 28.94416 6.110971  233.8990       86.29958 127.7363       
116.5366 362.8146       128.4189 22.09094 8.652003 35.79737 8.632423 -13.70643 
12.22194 
1 1 1 -1  6   1  o 73.81302 1.545923  1111.016       46.88399 1303.197       
76.44563 995.1476       59.35800 78.78099 2.311279 68.84504 2.053656 9.935951 
3.091846 
1 1 1 -1  6   2  o 218.9602 2.876016  10035.31       259.0646 10257.45       
411.6491 9889.636       333.3584 220.9415 4.437832 216.9789 3.659442 3.962601 
5.752031 
1 1 1 -1  6   3  o 189.8380 1.824149  7559.270       144.6276 7487.307       
194.4000 7648.477       216.4391 188.8304 2.452142 190.8457 2.701311 -2.015289 
3.648298 
1 1 1 -1  6   4  o 441.1462 5.555121  40980.87       1028.835 40646.69       
1454.208 41315.76       1455.779 439.3407 7.883990 442.9518 7.828166 -3.611023 
11.11024 
1 1 1 -1  6   5  o 337.9587 4.009840  24026.40       568.1655 23790.74       
823.1486 24240.85       785.2081 336.3595 5.829021 339.5579 5.507975 -3.198364 
8.019680 
1 1 1 -1  6   6  o 47.26010 1.663804  470.1931       32.84404 528.3287       
46.67609 413.1778       46.22416 50.16181 2.216370 44.35839 2.482072 5.803417 
3.327609 
1 1 1 -1  6   7  o 127.3441 1.575585  3331.096       80.70581 3658.139       
137.9607 3160.951       99.50907 131.9887 2.489658 122.6996 1.931705 9.289185 
3.151171 
1 1 1 -1  6   8  o 151.4663 2.125864  4794.125       134.3540 4614.826       
178.9270 5025.903       203.4340 148.2386 2.874985 154.6940 3.132356 -6.455414 
4.251729 
1 1 1 -1  6   9  o 215.8437 2.891878  9750.447       258.9214 10026.85       
400.7451 9552.384       339.2341 218.4463 4.369630 213.2412 3.789217 5.205078 
5.783756 
1 1 1 -1  6   10 o 171.2902 1.627281  6121.198       116.2148 5846.393       
154.1264 6483.328       176.9278 166.8649 2.200052 175.7154 2.398322 -8.850464 
3.254563 
1 1 1 -1  6   11 o 117.2861 2.060689  2883.866       101.3110 2804.332       
138.7268 2974.760       148.3028 115.5572 2.859462 119.0149 2.968036 -3.457657 
4.121378 
1 1 1 -1  6   12 o 364.6906 3.602002  27906.22       548.1394 28411.27       
825.2282 27507.47       733.2670 367.6124 5.346936 361.7689 4.827831 5.843536 
7.204004 
1 1 1 -1  6   13 o 131.1873 2.175541  3595.095       119.4989 3310.157       
162.3078 3932.377       176.5876 125.5415 3.079451 136.8330 3.073905 -11.29154 
4.351081 
1 1 1 -1  6   14 o 97.49670 1.693645  1990.350       69.18898 1909.888       
94.31602 2084.104       101.8090 95.36983 2.355567 99.62357 2.434139 -4.253738 
3.387289 
1 1 1 -1  6   15 o 82.93163 2.015847  1398.263       68.66826 1669.039       
112.1979 1236.089       86.82997 89.14383 2.997881 76.71943 2.695786 12.42440 
4.031693 
1 1 1 -1  6   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  6   17 o 216.0202 2.775065  9780.924       234.1139 9877.008       
417.1034 9736.730       282.8752 216.7486 4.583619 215.2917 3.129598 1.456894 
5.550130 
1 1 1 -1  6   18 o 161.3874 2.767709  5485.286       186.7280 5350.139       
275.2408 5600.527       254.1632 159.5313 4.109490 163.2435 3.708498 -3.712143 
5.535419 
1 1 1 -1  6   19 o 198.3230 2.888625  8281.704       239.8855 8103.516       
350.0403 8439.497       329.3986 196.2951 4.247464 200.3509 3.916080 -4.055832 
5.777251 
1 1 1 -1  6   20 o 87.38072 2.197499  1597.830       79.53860 1646.389       
123.7987 1563.696       103.7957 88.49837 3.331977 86.26307 2.865995 2.235306 
4.394997 
1 1 1 -1  6   21 o 192.3999 1.931718  7731.622       148.4674 7936.009       
253.9228 7625.451       183.0099 194.2858 3.113019 190.5140 2.288067 3.771744 
3.863436 
1 1 1 -1  6   22 o 169.9935 2.875486  6061.273       204.6346 5773.784       
276.9495 6406.960       303.6897 165.5835 3.983864 174.4035 4.147590 -8.819977 
5.750971 
1 1 1 -1  6   23 o 250.2377 3.832104  13193.83       392.3502 13441.05       
632.5066 13039.21       500.2191 251.9424 5.979775 248.5329 4.793994 3.409470 
7.664208 
1 1 1 -1  6   24 o 122.7877 2.274640  3180.781       115.8403 3128.153       
177.4261 3219.883       152.9346 121.8724 3.467632 123.7030 2.944736 -1.830597 
4.549280 
1 1 1 -1  6   25 o 64.60169 2.326355  879.1325       62.87757 786.3582       
87.98357 975.9747       89.89176 61.10809 3.429446 68.09530 3.144299 -6.987209 
4.652710 
1 1 1 -1  6   26 o 25.94241 4.842929  149.1217       53.65884 132.7683       
79.46481 162.8279       72.74924 24.73182 7.211998 27.15301 6.465519 -2.421196 
9.685859 
1 1 1 -1  6   27 o 76.92426 2.290442  1240.219       73.78249 1142.699       
100.3642 1354.902       108.8387 73.64994 3.245842 80.19857 3.232494 -6.548630 
4.580885 
1 1 1 -1  6   28 o 108.5554 2.038321  2482.051       92.84063 2462.927       
128.8463 2502.701       133.8920 108.1266 2.838314 108.9841 2.926257 
-0.8574753     4.076642 
1 1 1 -1  6   29 o 49.58779 3.353512  523.0718       69.37239 518.5158       
103.8613 526.7416       93.21468 49.35690 5.012186 49.81868 4.456698 
-0.4617767     6.707024 
1 1 1 -1  6   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  6   31 o 31.89710 4.900021  232.6276       63.47965 210.5727       
95.41753 250.1402       85.02596 30.34653 7.518328 33.44767 6.286141 -3.101139 
9.800042 
1 1 1 -1  6   32 o 61.71315 2.963782  783.7085       75.28490 1016.298       
120.9141 636.4546       96.20886 68.90424 4.179766 54.52206 4.203044 14.38218 
5.927565 
1 1 1 -1  6   33 f 19.90470 5.342340  67.17013       63.53120 25.67983       
94.33611 101.6058       85.94270 17.93224 7.494417 21.87716 7.615516 -3.944921 
10.68468 
1 1 1 -1  6   34 o 67.63154 3.564411  1001.744       100.9792 990.6450       
137.9568 1014.553       148.2058 67.31739 4.881316 67.94569 5.195465 
-0.6282959     7.128822 
1 1 1 -1  6   35 o 75.86807 3.445209  1268.841       109.6882 1234.787       
155.7437 1302.357       154.5087 74.79237 4.959916 76.94378 4.783000 -2.151413 
6.890418 
1 1 1 -1  6   36 o 26.19995 6.284706  172.2870       83.85345 131.9356       
120.0925 210.6761       117.1361 23.86945 8.917073 28.53046 8.858664 -4.661007 
12.56941 
1 1 1 -1  6   37 o 20.97909 6.014747  85.08714       82.34667 73.34433       
111.9888 98.91017       121.5038 20.21246 8.277569 21.74573 8.728723 -1.533264 
12.02949 
1 1 1 -1  6   38 o 55.48427 4.309929  747.8663       95.80109 510.6512       
132.6724 1006.305       138.4805 45.00928 7.021010 65.95926 5.000738 -20.94997 
8.619859 
1 1 1 -1  7   1  o 202.2792 2.452012  8637.947       202.1468 8780.855       
257.8403 8409.998       325.6436 204.4768 3.003501 200.0815 3.876651 4.395264 
4.904023 
1 1 1 -1  7   2  o 214.3118 2.559475  9646.948       230.2773 9508.188       
324.0183 9788.557       327.3294 212.7545 3.627538 215.8690 3.611733 -3.114578 
5.118949 
1 1 1 -1  7   3  o 311.7444 3.596481  20436.77       470.4107 19603.71       
665.5166 21268.55       665.0060 305.3841 5.190792 318.1046 4.979396 -12.72058 
7.192962 
1 1 1 -1  7   4  o 240.3645 3.446874  12132.96       347.3934 12327.45       
505.8732 11959.39       477.8965 242.1799 4.975362 238.5491 4.771744 3.630722 
6.893748 
1 1 1 -1  7   5  o 49.23623 1.594557  506.3498       32.86854 473.1924       
44.50220 546.1467       48.75455 47.47217 2.232870 51.00029 2.277003 -3.528122 
3.189115 
1 1 1 -1  7   6  o 154.0869 1.723123  4799.423       103.8130 4503.224       
124.0298 5492.431       189.7157 146.4509 2.017228 161.7228 2.794172 -15.27184 
3.446245 
1 1 1 -1  7   7  o 91.51498 1.810385  1757.469       69.48762 1783.784       
100.8590 1733.692       95.87127 92.16608 2.606541 90.86388 2.513149 1.302200 
3.620770 
1 1 1 -1  7   8  o 37.65551 2.045858  297.9151       32.30995 301.0571       
44.82370 294.5169       46.61528 37.86267 2.819795 37.44834 2.964946 0.4143372 
4.091717 
1 1 1 -1  7   9  o 79.62337 1.783927  1286.732       58.56231 1097.497       
74.74143 1587.645       94.24992 72.29517 2.462483 86.95156 2.581812 -14.65639 
3.567853 
1 1 1 -1  7   10 o 281.4838 2.801793  16596.41       328.9173 16233.36       
438.4109 17063.90       497.4884 277.9843 3.756490 284.9833 4.158000 -6.999023 
5.603587 
1 1 1 -1  7   11 o 307.6813 2.772594  19880.02       357.7098 19722.98       
492.8845 20054.78       519.9567 306.4037 3.831530 308.9590 4.008551 -2.555328 
5.545187 
1 1 1 -1  7   12 o 187.6472 1.875473  7269.232       143.1658 6916.345       
179.3903 7888.257       237.5936 181.4886 2.354349 193.8058 2.920041 -12.31725 
3.750946 
1 1 1 -1  7   13 o 261.8833 3.549912  14417.34       390.1388 14395.40       
559.7524 14438.07       544.0611 261.6841 5.094948 262.0825 4.944594 
-0.3984375     7.099825 
1 1 1 -1  7   14 o 443.6683 4.092782  41362.38       761.7091 42264.16       
1104.464 40544.40       1051.897 448.2639 5.868656 439.0727 5.706342 9.191223 
8.185564 
1 1 1 -1  7   15 o 101.3589 2.430783  2117.026       97.37231 2040.858       
118.0939 2278.775       172.0925 98.57677 2.853474 104.1411 3.936053 -5.564316 
4.861566 
1 1 1 -1  7   16 o 188.5921 3.057268  7425.921       235.4600 7684.727       
383.0493 7268.737       298.5185 191.1907 4.772094 185.9934 3.822915 5.197235 
6.114536 
1 1 1 -1  7   17 o 328.8442 2.490459  22719.30       343.5547 22759.53       
496.1602 22682.25       476.1754 329.1179 3.590802 328.5705 3.451910 0.5474243 
4.980918 
1 1 1 -1  7   18 o 92.48901 2.163652  1745.020       80.82542 1984.335       
137.6941 1619.213       99.83474 97.17872 3.374934 87.79932 2.708393 9.379402 
4.327305 
1 1 1 -1  7   19 o 173.9387 2.997633  6349.198       218.6653 5997.863       
301.6237 6738.400       317.4628 168.8765 4.254194 179.0008 4.224340 -10.12431 
5.995266 
1 1 1 -1  7   20 o 287.2325 3.828176  17229.04       419.2308 17751.59       
782.9218 17018.97       496.3928 290.0406 6.429550 284.4244 4.156997 5.616241 
7.656353 
1 1 1 -1  7   21 f 21.76848 4.878029  98.32927       49.69315 100.4362       
74.98217 96.67905       66.35877 22.09093 7.120394 21.44603 6.669383 0.6448956 
9.756058 
1 1 1 -1  7   22 o 177.2845 2.281716  6647.808       165.8209 6437.214       
262.5613 6787.537       213.8702 174.8944 3.575823 179.6745 2.835207 -4.780151 
4.563432 
1 1 1 -1  7   23 o 135.2928 2.214801  3844.264       123.8687 3892.437       
193.3854 3810.749       161.3011 135.9830 3.387350 134.6026 2.854337 1.380463 
4.429602 
1 1 1 -1  7   24 o 122.0983 2.258721  3145.496       115.1664 3061.739       
170.6804 3215.503       156.0421 120.5833 3.371457 123.6132 3.006754 -3.029938 
4.517443 
1 1 1 -1  7   25 o 74.93356 2.276551  1179.887       71.27867 1202.963       
106.5717 1161.210       95.88035 75.58611 3.358312 74.28101 3.074488 1.305092 
4.553102 
1 1 1 -1  7   26 o 134.9605 2.502764  3837.485       141.4840 3827.120       
207.0723 3846.562       193.7669 134.7733 3.659645 135.1477 3.415012 
-0.3743134     5.005527 
1 1 1 -1  7   27 o 93.06595 2.327906  1819.194       90.82223 1711.308       
124.5989 1941.500       132.6642 90.13057 3.292785 96.00134 3.291527 -5.870766 
4.655811 
1 1 1 -1  7   28 o 17.76864 4.413661  1.848240       53.58849 132.9889       
76.91830 -121.8422      74.70145 24.61282 7.069203 10.92446 5.286586 13.68836 
8.827323 
1 1 1 -1  7   29 o 143.9693 2.477292  4377.623       149.4839 4039.012       
208.6905 4734.422       214.2222 138.2292 3.596035 149.7094 3.408289 -11.48021 
4.954584 
1 1 1 -1  7   30 o 109.5182 2.472553  2538.596       112.3806 2535.455       
172.3867 2540.918       148.2015 109.3922 3.753516 109.6441 3.219501 
-0.2518387     4.945106 
1 1 1 -1  7   31 o 136.0185 4.063482  3952.418       206.4593 4078.094       
397.3820 3905.951       241.6309 136.6536 6.926409 135.3835 4.251164 1.270111 
8.126964 
1 1 1 -1  7   32 o 16.63955 5.010807  7.192439       61.00092 16.72848       
92.78046 -0.6844885E-01 80.95940 17.54878 7.388135 15.73032 6.771130 1.818460 
10.02161 
1 1 1 -1  7   33 o 62.98312 3.498420  859.1791       92.38115 836.5249       
126.7756 884.8282       134.8956 62.13497 4.859824 63.83128 5.033676 -1.696312 
6.996840 
1 1 1 -1  7   34 o 54.32482 3.949493  653.6323       89.78130 700.5644       
125.7053 604.7628       128.2735 56.45360 5.303750 52.19604 5.853564 4.257557 
7.898985 
1 1 1 -1  7   35 o 23.42722 6.170088  114.1883       83.38262 160.2167       
117.2103 67.02653       118.6445 25.87923 8.904620 20.97522 8.543284 4.904009 
12.34018 
1 1 1 -1  7   36 o 83.24379 3.455097  1538.791       120.7390 1555.302       
170.2778 1522.096       171.2277 83.73224 4.843802 82.75533 4.928323 0.9769058 
6.910195 
1 1 1 -1  7   37 o 34.23528 5.877054  304.9501       83.71230 290.1977       
119.1211 319.3445       117.6665 33.23245 8.502632 35.23810 8.115684 -2.005653 
11.75411 
1 1 1 -1  7   38 f 19.05794 5.735839  57.84013       80.41570 54.65792       
110.4125 61.43507       117.3546 18.77606 7.988876 19.33983 8.232696 
-0.5637741     11.47168 
1 1 1 -1  8   1  o 263.8240 3.081378  14712.75       337.3969 13992.56       
510.4380 15271.57       449.6286 258.0343 4.711798 269.6137 3.972217 -11.57944 
6.162755 
1 1 1 -1  8   2  o 60.75764 1.471419  775.5914       37.49256 787.5429       
52.06424 762.7178       54.03568 61.24450 2.024853 60.27078 2.135477 0.9737206 
2.942837 
1 1 1 -1  8   3  o 70.16966 1.502798  1026.203       44.08791 1119.382       
66.13512 951.6735       59.14782 73.01517 2.157447 67.32415 2.092613 5.691017 
3.005596 
1 1 1 -1  8   4  o 262.8271 2.371875  14510.10       261.6510 14462.84       
374.0993 14555.36       366.0915 262.4062 3.395736 263.2480 3.312422 
-0.8417664     4.743750 
1 1 1 -1  8   5  o 24.16253 2.430973  122.8133       24.60266 119.5863       
35.76619 125.7117       33.89593 23.86023 3.570419 24.46483 3.300094 
-0.6046085     4.861946 
1 1 1 -1  8   6  o 213.4933 1.670556  9543.812       149.1537 9283.735       
201.0805 9861.949       222.3969 210.2709 2.277781 216.7157 2.444328 -6.444809 
3.341111 
1 1 1 -1  8   7  o 150.1524 2.067534  4731.572       130.2863 4616.540       
181.2270 4854.620       187.4350 148.2652 2.911419 152.0397 2.936398 -3.774475 
4.135068 
1 1 1 -1  8   8  o 83.59023 1.465299  1435.783       50.78927 1673.450       
79.85062 1274.303       65.81949 89.27524 2.130435 77.90520 2.012376 11.37003 
2.930599 
1 1 1 -1  8   9  f 125.1804 1.657269  3273.819       86.63655 3139.994       
115.7530 3444.275       130.6382 122.2877 2.254606 128.0731 2.429592 -5.785431 
3.314539 
1 1 1 -1  8   10 o 254.1737 3.483797  13569.12       371.5270 13320.98       
514.6642 13839.15       536.8765 251.7526 4.869352 256.5948 4.983652 -4.842178 
6.967595 
1 1 1 -1  8   11 o 116.7262 1.901272  2822.675       92.01727 2633.284       
119.4905 3098.644       144.2395 111.9824 2.541585 121.4700 2.828371 -9.487587 
3.802543 
1 1 1 -1  8   12 o 285.8052 4.004389  17177.37       480.4726 17097.87       
681.4792 17255.94       677.5197 285.1450 5.692564 286.4653 5.633405 -1.320282 
8.008779 
1 1 1 -1  8   13 o 57.74584 2.023340  699.8439       49.03487 726.2645       
70.30824 674.8220       68.42180 58.80643 2.847754 56.68526 2.875050 2.121174 
4.046680 
1 1 1 -1  8   14 o 571.0767 4.986663  68497.66       1182.111 67611.99       
1554.425 69712.39       1820.425 566.8260 6.531925 575.3273 7.536657 -8.501343 
9.973327 
1 1 1 -1  8   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  8   16 f 147.6259 1.942353  4474.644       113.4661 4880.134       
200.5913 4283.853       137.5947 152.4227 3.134610 142.8291 2.294594 9.593536 
3.884706 
1 1 1 -1  8   17 o 66.27628 2.348509  923.2151       65.24488 915.7535       
94.76252 929.9401       89.96471 66.01993 3.418870 66.53262 3.220762 
-0.5126877     4.697018 
1 1 1 -1  8   18 o 20.33340 4.057654  80.24957       47.12677 -54.90421      
76.26724 163.7277       59.93911 13.24408 6.059237 27.42272 5.398508 -14.17864 
8.115309 
1 1 1 -1  8   19 o 121.6502 2.199596  3127.116       110.4561 3009.680       
170.9637 3211.259       144.7143 119.6667 3.402918 123.6338 2.788018 -3.967018 
4.399192 
1 1 1 -1  8   20 f 316.4745 4.982382  21140.38       655.4116 21284.43       
1001.315 21032.41       866.9261 317.2789 7.517104 315.6702 6.541382 1.608673 
9.964765 
1 1 1 -1  8   21 o 40.32129 3.271074  345.0489       54.80138 321.1976       
81.92264 364.3658       73.72557 39.03911 4.998332 41.60346 4.220946 -2.564346 
6.542148 
1 1 1 -1  8   22 o 20.56192 4.787417  79.64586       49.09499 120.7692       
73.51534 46.54164       65.95924 23.67575 6.947290 17.44810 6.588826 6.227648 
9.574835 
1 1 1 -1  8   23 o 128.8015 2.212276  3507.210       119.0592 3202.129       
171.3992 3791.671       165.5056 123.3452 3.309844 134.2579 2.936256 -10.91275 
4.424553 
1 1 1 -1  8   24 o 131.4553 2.121367  3633.986       117.0323 3551.949       
162.7692 3721.788       168.3914 129.9221 2.984079 132.9885 3.015970 -3.066437 
4.242735 
1 1 1 -1  8   25 o 82.27608 2.253547  1435.596       77.18423 1241.842       
110.4592 1620.462       107.8959 76.79296 3.426113 87.75919 2.928419 -10.96623 
4.507093 
1 1 1 -1  8   26 o 100.3448 1.863306  2117.016       78.48414 2076.859       
109.7684 2159.016       112.2602 99.37189 2.631085 101.3177 2.639134 -1.945831 
3.726612 
1 1 1 -1  8   27 o 130.8906 2.367488  3569.864       128.8773 3340.821       
168.9955 3888.210       199.2350 125.9487 3.195969 135.8326 3.493677 -9.883904 
4.734976 
1 1 1 -1  8   28 f 95.75513 2.173262  1913.505       86.91947 2130.365       
131.2080 1743.910       116.0317 100.5385 3.108485 90.97173 3.038025 9.566795 
4.346525 
1 1 1 -1  8   29 o 37.76130 3.742893  305.3984       58.87550 347.3583       
83.05277 263.0120       83.47389 40.42287 4.893821 35.09972 5.664584 5.323143 
7.485786 
1 1 1 -1  8   30 f 72.69113 2.383714  1112.617       72.58119 1021.394       
99.22209 1217.613       106.4492 69.49512 3.400753 75.88715 3.341144 -6.392036 
4.767427 
1 1 1 -1  8   31 o 54.81149 2.822453  638.4028       64.73856 571.1876       
90.07545 710.2202       93.10813 51.80231 4.141698 57.82067 3.835532 -6.018360 
5.644906 
1 1 1 -1  8   32 o 51.67993 3.280132  575.1478       70.37227 560.0182       
107.0015 586.6800       93.41850 50.98719 4.998617 52.37268 4.248632 -1.385490 
6.560263 
1 1 1 -1  8   33 o 72.30598 4.573438  1127.737       138.8340 1127.737       
138.8340 0.000000       0.000000 72.30598 4.573438 ?        ?        ? ? 
1 1 1 -1  8   34 o 33.13213 5.952902  263.8600       84.68318 189.6655       
116.5009 346.9796       123.3091 28.09521 8.856971 38.16904 7.956272 -10.07383 
11.90580 
1 1 1 -1  8   35 o 28.77210 6.428455  206.5507       87.96683 172.1571       
127.3746 237.9129       121.6317 26.74474 9.274917 30.79946 8.903711 -4.054712 
12.85691 
1 1 1 -1  8   36 o 31.29041 6.284952  254.1237       87.04633 281.6186       
118.7519 222.1955       127.9683 33.31860 8.468588 29.26223 9.289000 4.056366 
12.56990 
1 1 1 -1  8   37 o 17.96308 5.545987  15.76332       78.93953 2.574805       
107.9447 30.92467       115.7370 17.19006 7.598242 18.73609 8.080755 -1.546028 
11.09197 
1 1 1 -1  8   38 o 20.54099 5.861441  89.12109       78.43336 64.04570       
109.2676 115.7743       112.6529 19.24924 8.056645 21.83275 8.515658 -2.583515 
11.72288 
1 1 1 -1  9   1  o 243.7157 2.658461  12250.22       226.9769 12070.33       
256.8311 12891.87       485.0540 239.7520 2.551564 247.6794 4.664673 -7.927444 
5.316921 
1 1 1 -1  9   2  o 49.45121 1.587114  509.4095       32.78738 474.4873       
43.78442 553.9926       49.47139 47.53725 2.193848 51.36517 2.294069 -3.827919 
3.174228 
1 1 1 -1  9   3  o 239.6413 2.425471  12072.27       243.3108 11928.60       
356.9153 12197.00       332.5609 238.3023 3.567451 240.9802 3.287084 -2.677979 
4.850941 
1 1 1 -1  9   4  o 207.1599 2.194151  8947.669       189.7282 8443.747       
252.5023 9601.099       287.5297 200.5131 2.999464 213.8068 3.203187 -13.29370 
4.388302 
1 1 1 -1  9   5  o 38.14588 1.886936  305.4279       30.19472 288.5990       
42.23909 323.0150       43.18003 37.07154 2.713907 39.22022 2.622370 -2.148678 
3.773873 
1 1 1 -1  9   6  o 112.4671 1.895095  2644.317       88.86140 2560.893       
118.0830 2753.251       134.9341 110.4329 2.546889 114.5012 2.806936 -4.068306 
3.790189 
1 1 1 -1  9   7  o 197.8135 1.977876  8224.989       164.0414 8048.247       
236.6777 8388.391       227.5693 195.7641 2.879688 199.8629 2.712080 -4.098846 
3.955753 
1 1 1 -1  9   8  o 66.60184 1.633804  931.1349       45.65823 975.6645       
65.16213 888.1868       63.99469 68.16592 2.276927 65.03777 2.343685 3.128143 
3.267607 
1 1 1 -1  9   9  o 74.62134 1.568808  1169.646       49.08841 1178.787       
67.90800 1159.642       71.04092 74.92731 2.158747 74.31536 2.276937 0.6119461 
3.137616 
1 1 1 -1  9   10 o 372.1904 3.607123  28969.64       554.6515 28309.35       
718.9625 29940.31       871.7144 367.0206 4.665915 377.3602 5.502236 -10.33957 
7.214247 
1 1 1 -1  9   11 o 330.3124 3.071491  22917.33       425.7892 22605.54       
592.7083 23249.83       612.0720 327.9948 4.304227 332.6300 4.382905 -4.635254 
6.142982 
1 1 1 -1  9   12 o 18.80374 4.150576  73.40358       36.46212 64.15905       
51.55702 82.65398       51.57342 17.90862 5.908276 19.69886 5.831072 -1.790234 
8.301152 
1 1 1 -1  9   13 o 421.7058 3.869209  36480.23       593.0771 35606.40       
680.8994 39227.35       1207.289 411.6694 3.939630 431.7423 6.660513 -20.07288 
7.738418 
1 1 1 -1  9   14 o 529.2924 5.244803  59094.24       1160.440 57926.80       
1713.506 60083.32       1577.177 524.3688 7.783411 534.2159 7.032095 -9.847168 
10.48961 
1 1 1 -1  9   15 o 244.0460 6.160118  12388.90       582.7406 13012.14       
1062.013 12120.41       697.0494 248.1633 10.19326 239.9287 6.919941 8.234634 
12.32024 
1 1 1 -1  9   16 o 454.8019 7.117990  43787.40       1352.285 43024.45       
2006.081 44422.82       1830.762 450.9967 10.59488 458.6071 9.508502 -7.610321 
14.23598 
1 1 1 -1  9   17 o 247.7545 3.530892  12918.07       361.2747 12865.24       
563.5544 12954.93       470.7241 247.2809 5.428332 248.2282 4.516858 
-0.9473114     7.061784 
1 1 1 -1  9   18 o 216.1325 2.192721  9821.111       192.7537 9787.313       
314.0456 9841.540       244.1527 215.8107 3.466098 216.4543 2.686682 
-0.6436310     4.385442 
1 1 1 -1  9   19 o 239.0594 3.705354  11974.73       363.2728 12296.54       
583.0685 11770.55       464.4286 241.6005 5.748344 236.5182 4.677086 5.082352 
7.410708 
1 1 1 -1  9   20 o 173.0307 2.530264  6302.688       181.4640 6249.248       
279.2475 6341.750       238.7441 172.3714 3.858737 173.6899 3.274003 -1.318512 
5.060528 
1 1 1 -1  9   21 o 164.8478 2.800405  5718.482       193.2319 5725.532       
284.5724 5712.450       263.2176 164.9260 4.109838 164.7696 3.805036 0.1563568 
5.600810 
1 1 1 -1  9   22 f 182.0691 2.352267  6958.049       173.3927 7034.240       
286.6787 6914.100       217.7335 182.8006 3.735415 181.3375 2.859952 1.463135 
4.704535 
1 1 1 -1  9   23 o 81.32700 2.216125  1394.078       75.12701 1186.273       
104.8300 1613.499       107.7203 75.07336 3.325988 87.58064 2.929613 -12.50729 
4.432249 
1 1 1 -1  9   24 o 141.7673 2.639364  4237.996       156.9281 4018.172       
222.0457 4457.361       221.8143 138.0775 3.830367 145.4570 3.632252 -7.379532 
5.278728 
1 1 1 -1  9   25 o 144.5441 2.044390  4407.565       122.8081 4309.005       
186.3402 4483.248       163.2878 143.0871 3.101894 146.0011 2.663904 -2.913986 
4.088781 
1 1 1 -1  9   26 o 48.57076 3.230153  516.7681       62.51796 334.8393       
89.10316 693.1733       87.74009 39.78255 5.334841 57.35897 3.643492 -17.57642 
6.460307 
1 1 1 -1  9   27 o 46.64191 3.173275  477.2082       59.63856 377.7456       
92.01933 549.2462       78.31232 42.24031 5.188872 51.04350 3.654355 -8.803188 
6.346550 
1 1 1 -1  9   28 o 143.5622 2.220610  4343.947       133.7782 4343.901       
192.1656 4343.989       186.3502 143.5525 3.188496 143.5719 3.091589 
-0.1931763E-01 4.441219 
1 1 1 -1  9   29 o 66.05333 2.384550  921.7539       66.08414 884.5383       
93.53210 958.8503       93.38226 64.71317 3.442620 67.39349 3.300406 -2.680321 
4.769100 
1 1 1 -1  9   30 o 62.31695 2.608963  823.0201       68.18896 857.6362       
95.88165 787.5950       96.99551 63.65862 3.587562 60.97528 3.788950 2.683338 
5.217925 
1 1 1 -1  9   31 o 96.60027 2.083662  1965.339       84.12469 1901.817       
112.9678 2044.419       126.0440 94.87883 2.836000 98.32170 3.053472 -3.442871 
4.167324 
1 1 1 -1  9   32 o 58.84686 2.590626  736.8579       63.54692 625.3452       
88.15913 857.4614       91.68223 54.16494 3.876770 63.52879 3.437444 -9.363850 
5.181252 
1 1 1 -1  9   33 o 28.07945 6.210047  183.9097       82.42509 216.7116       
114.1193 148.1349       119.1786 30.23611 8.587103 25.92278 8.973315 4.313332 
12.42009 
1 1 1 -1  9   34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  9   35 o 23.76497 6.160922  116.3775       83.02241 61.82708       
115.4183 174.8656       119.5115 20.64764 8.420817 26.88231 8.995425 -6.234667 
12.32184 
1 1 1 -1  9   36 o 31.77483 6.147958  257.5176       84.37614 265.8803       
120.5267 249.4800       118.1603 32.27910 8.697031 31.27057 8.692019 1.008537 
12.29592 
1 1 1 -1  9   37 o 26.00998 5.875748  156.0524       79.27493 59.00815       
106.7646 275.3044       118.3520 19.53051 8.054256 32.48944 8.557255 -12.95894 
11.75150 
1 1 1 -1  9   38 o 47.00687 4.486843  524.7835       87.62561 433.5281       
118.5841 634.5405       130.0508 42.21904 6.690201 51.79470 5.980657 -9.575665 
8.973686 
1 1 1 -1  9   39 o 29.54521 6.045504  251.0298       82.76001 174.7460       
115.2681 332.1923       118.8969 24.59390 8.793726 34.49651 8.298366 -9.902607 
12.09101 
1 1 1 -1  10  1  o 103.8250 1.816574  2264.550       78.98728 2249.978       
115.6573 2277.287       108.1318 103.5105 2.661398 104.1394 2.473201 
-0.6288986     3.633147 
1 1 1 -1  10  2  o 223.3000 2.129277  10469.30       199.5651 10584.44       
286.1331 10360.24       278.4780 224.4944 3.035873 222.1057 2.986429 2.388641 
4.258554 
1 1 1 -1  10  3  o 147.3092 2.249885  4552.627       138.6647 4499.659       
187.9273 4615.932       205.4445 146.3727 3.058096 148.2458 3.300906 -1.873154 
4.499770 
1 1 1 -1  10  4  o 402.9143 3.747122  34160.36       606.6530 34240.95       
755.9344 34014.54       1016.809 403.6680 4.460473 402.1606 6.022281 1.507385 
7.494244 
1 1 1 -1  10  5  o 232.8343 2.769158  11420.17       267.8216 11167.73       
407.2266 11612.58       355.5292 230.5464 4.207254 235.1222 3.601661 -4.575714 
5.538317 
1 1 1 -1  10  6  o 25.99846 2.536731  142.1963       27.63757 151.4081       
38.95451 132.8596       39.21767 26.84819 3.455920 25.14873 3.714384 1.699461 
5.073463 
1 1 1 -1  10  7  o 136.5783 1.957146  3920.596       112.0652 3847.555       
161.9750 3987.662       155.2097 135.3554 2.850318 137.8012 2.682791 -2.445786 
3.914292 
1 1 1 -1  10  8  o 222.2128 2.744992  10364.92       255.7023 10525.88       
373.2084 10222.51       351.0438 223.8334 3.971437 220.5923 3.790462 3.241074 
5.489983 
1 1 1 -1  10  9  o 322.8347 4.395546  21848.47       593.4783 21125.26       
799.6215 22735.46       885.5511 316.9284 6.009584 328.7409 6.416245 -11.81256 
8.791092 
1 1 1 -1  10  10 o 276.6638 3.780904  16060.22       437.3417 15755.40       
589.6625 16432.91       652.0167 273.7686 5.130279 279.5590 5.555285 -5.790344 
7.561809 
1 1 1 -1  10  11 o 331.6193 4.340696  22735.51       582.8050 21707.08       
725.6892 24603.89       978.1284 321.3165 5.379460 341.9220 6.813808 -20.60550 
8.681392 
1 1 1 -1  10  12 o 381.8152 4.887357  30642.96       782.0864 30020.83       
1070.481 31355.21       1145.389 377.6877 6.750988 385.9428 7.068888 -8.255157 
9.774714 
1 1 1 -1  10  13 o 297.7986 3.751177  18647.25       438.8122 18645.35       
771.3112 18648.15       533.5784 297.7016 6.171198 297.8956 4.266337 
-0.1940308     7.502354 
1 1 1 -1  10  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  10  15 o 280.5001 4.136785  16421.14       475.7539 17153.73       
767.0822 15963.18       606.4933 285.4827 6.400048 275.5175 5.243218 9.965240 
8.273569 
1 1 1 -1  10  16 o 199.9145 2.326427  8396.918       195.2303 8330.799       
277.8491 8461.395       274.3783 199.1356 3.323390 200.6935 3.256398 -1.557907 
4.652854 
1 1 1 -1  10  17 o 281.8415 2.798127  16523.74       325.3423 15820.86       
418.7217 17594.51       516.8152 274.3842 3.634859 289.2989 4.255098 -14.91473 
5.596254 
1 1 1 -1  10  18 o 84.82918 2.154974  1508.048       75.86961 1536.850       
116.9571 1487.122       99.69100 85.52145 3.257413 84.13692 2.822217 1.384529 
4.309947 
1 1 1 -1  10  19 o 24.82623 4.679825  128.0878       51.06674 189.8737       
77.59246 80.87532       67.82717 29.43009 6.455951 20.22236 6.776707 9.207729 
9.359651 
1 1 1 -1  10  20 o 97.57800 1.896203  1975.467       76.17953 2125.568       
122.0195 1879.591       97.52019 100.5695 2.889907 94.58647 2.455764 5.983063 
3.792405 
1 1 1 -1  10  21 o 200.6468 3.101567  8471.127       260.7832 8594.328       
381.8311 8363.412       357.0237 201.9956 4.502467 199.2980 4.266927 2.697601 
6.203135 
1 1 1 -1  10  22 o 204.4104 2.328825  8783.195       198.7246 8860.214       
297.8911 8721.435       266.7574 205.1939 3.457913 203.6269 3.120344 1.566971 
4.657650 
1 1 1 -1  10  23 o 178.6441 2.106481  6702.191       157.0431 6610.175       
210.2102 6818.415       236.2480 177.2785 2.824351 180.0096 3.126033 -2.731049 
4.212961 
1 1 1 -1  10  24 o 59.30573 2.623626  741.8440       65.02587 733.0040       
96.37949 749.2302       88.09839 58.96989 3.892919 59.64157 3.518358 
-0.6716766     5.247252 
1 1 1 -1  10  25 o 123.0801 2.533846  3181.180       129.7709 3263.068       
198.2241 3119.759       171.6734 124.4362 3.794291 121.7239 3.359295 2.712288 
5.067693 
1 1 1 -1  10  26 o 246.5384 3.548710  12801.21       349.8131 13001.94       
595.2862 12695.34       432.3358 247.7527 5.723063 245.3242 4.197608 2.428497 
7.097420 
1 1 1 -1  10  27 o 109.1082 2.107715  2511.244       96.11835 2446.492       
141.7801 2566.314       130.7523 107.7878 3.133045 110.4285 2.820261 -2.640640 
4.215430 
1 1 1 -1  10  28 o 44.28234 3.322474  399.1253       60.53783 510.7708       
97.82032 329.8227       77.06964 49.10111 4.745247 39.46356 4.651662 9.637550 
6.644948 
1 1 1 -1  10  29 o 79.32510 2.182462  1321.529       72.47068 1190.711       
99.14777 1471.597       106.1926 75.12150 3.143691 83.52871 3.028164 -8.407211 
4.364924 
1 1 1 -1  10  30 f 112.5606 2.053984  2664.966       96.37152 2602.962       
128.1671 2745.625       146.1829 111.0905 2.748025 114.0307 3.053484 -2.940254 
4.107969 
1 1 1 -1  10  31 o 74.85359 2.277720  1183.256       71.49622 1132.446       
98.25945 1240.423       104.2260 73.15372 3.199330 76.55346 3.242890 -3.399742 
4.555441 
1 1 1 -1  10  32 o 78.94274 2.279155  1341.544       73.59427 1225.150       
115.0856 1422.070       95.72462 75.89797 3.611701 81.98751 2.780974 -6.089539 
4.558311 
1 1 1 -1  10  33 o 101.4705 2.691488  2136.537       100.5236 2337.948       
201.0573 2069.409       116.0728 104.1432 4.598432 98.79774 2.798365 5.345505 
5.382976 
1 1 1 -1  10  34 o 68.97620 2.965843  1005.645       82.30366 1098.844       
140.2518 956.6931       101.6456 71.12890 4.696600 66.82351 3.623100 4.305389 
5.931687 
1 1 1 -1  10  35 o 33.63450 8.522051  279.6159       120.5390 0.000000       
0.000000 279.6159       120.5390 ?        ?        33.63450 8.522051 ? ? 
1 1 1 -1  10  36 o 47.47455 4.404187  514.2676       87.75291 498.5019       
122.3738 530.9561       125.9042 46.71959 6.238934 48.22950 6.217969 -1.509911 
8.808373 
1 1 1 -1  10  37 o 45.01550 5.351416  517.7213       92.91418 230.0227       
128.6943 830.9590       134.2850 29.33332 9.315691 60.69769 5.269584 -31.36437 
10.70283 
1 1 1 -1  10  38 o 20.17819 5.879500  73.95924       80.51998 51.51453       
109.5921 100.2883       118.6970 18.90338 7.997423 21.45300 8.620632 -2.549627 
11.75900 
1 1 1 -1  10  39 o 18.14832 5.529273  19.90536       80.85184 -66.41065      
110.2073 120.5091       118.9794 14.56087 6.862324 21.73577 8.671789 -7.174897 
11.05855 
1 1 1 -1  11  1  o 282.0840 2.382119  16695.43       281.3562 16476.15       
382.9650 16952.60       414.7258 280.0792 3.256861 284.0887 3.477187 -4.009521 
4.764239 
1 1 1 -1  11  2  o 263.0428 2.815400  14453.09       305.4512 14105.32       
394.3538 14974.64       482.9279 259.1290 3.624858 266.9565 4.308865 -7.827484 
5.630800 
1 1 1 -1  11  3  o 311.9941 4.293066  20481.92       562.0530 20119.31       
803.0483 20830.12       786.9230 309.2747 6.184697 314.7136 5.955769 -5.438904 
8.586132 
1 1 1 -1  11  4  o 397.7765 3.834955  33319.55       634.8460 32849.33       
959.9603 33685.06       846.3493 395.2358 5.785195 400.3172 5.035777 -5.081421 
7.669911 
1 1 1 -1  11  5  o 77.61752 1.604335  1262.273       52.20892 1357.227       
75.66763 1175.994       72.12856 80.39780 2.241749 74.83725 2.295676 5.560555 
3.208670 
1 1 1 -1  11  6  o 390.3003 3.249105  31781.42       518.5271 31024.01       
658.4053 33018.43       841.4222 384.2673 4.081135 396.3333 5.056786 -12.06595 
6.498211 
1 1 1 -1  11  7  o 241.4309 3.104701  12236.53       314.5403 11772.65       
437.3482 12733.55       452.7032 236.6952 4.401078 246.1666 4.380317 -9.471451 
6.209401 
1 1 1 -1  11  8  o 191.0022 2.737232  7654.624       218.9626 7797.834       
322.3669 7531.959       298.3459 192.6541 3.985596 189.3503 3.752970 3.303757 
5.474464 
1 1 1 -1  11  9  o 210.1583 1.771185  9254.496       156.0114 8950.879       
213.2948 9603.815       228.7858 206.4606 2.460730 213.8559 2.548173 -7.395248 
3.542369 
1 1 1 -1  11  10 o 278.1109 3.000000  16228.94       349.8322 15820.69       
480.4508 16689.63       510.3794 274.3982 4.170506 281.8236 4.313570 -7.425415 
6.000000 
1 1 1 -1  11  11 o 304.9935 3.128839  19489.47       399.3247 18868.89       
539.8124 20239.52       593.4516 299.6573 4.290808 310.3297 4.554944 -10.67239 
6.257679 
1 1 1 -1  11  12 o 618.0258 4.509207  80003.62       1142.214 78726.27       
1459.024 82025.83       1835.776 611.8317 5.680043 624.2199 7.004920 -12.38818 
9.018414 
1 1 1 -1  11  13 o 729.0552 11.50333  113002.9       3256.746 114264.2       
5853.925 112437.5       3919.268 729.8298 19.10498 728.2805 12.81821 1.549316 
23.00667 
1 1 1 -1  11  14 o 175.4989 4.581031  6382.649       315.2795 6760.685       
563.5875 6210.458       380.3647 179.1447 7.493391 171.8531 5.271858 7.291580 
9.162063 
1 1 1 -1  11  15 o 178.4681 2.567310  6680.324       180.7627 6726.201       
315.6474 6657.937       220.5004 178.8961 4.202641 178.0400 2.949939 0.8561707 
5.134620 
1 1 1 -1  11  16 o 460.4590 6.568801  44666.87       1241.564 45402.55       
1982.493 44192.14       1592.542 463.2679 10.19296 457.6500 8.288550 5.617981 
13.13760 
1 1 1 -1  11  17 f 165.2135 2.753034  5677.345       186.0211 5996.417       
302.7350 5483.793       235.7857 168.8823 4.269722 161.5446 3.476531 7.337723 
5.506068 
1 1 1 -1  11  18 o 93.74319 1.826496  1843.808       71.75264 1692.300       
99.75413 2006.233       103.2851 89.75597 2.647211 97.73042 2.517264 -7.974449 
3.652992 
1 1 1 -1  11  19 o 102.3430 2.026166  2205.356       86.74393 2141.621       
127.1575 2260.833       118.6344 100.9523 3.000176 103.7336 2.724031 -2.781326 
4.052333 
1 1 1 -1  11  20 o 191.5516 2.689517  7677.123       207.5850 7863.920       
348.1509 7574.081       258.5766 193.2959 4.290085 189.8073 3.244871 3.488647 
5.379035 
1 1 1 -1  11  21 o 172.9841 2.565016  6294.293       186.1596 6340.808       
268.6544 6251.330       258.1958 173.5922 3.686249 172.3760 3.567743 1.216217 
5.130032 
1 1 1 -1  11  22 f 223.5171 2.126763  10466.79       189.4710 10637.47       
324.7845 10378.73       233.2802 224.8267 3.440872 222.2074 2.500578 2.619217 
4.253527 
1 1 1 -1  11  23 o 71.51974 2.274654  1057.061       67.33080 1190.149       
106.5739 968.6526       86.86148 75.18909 3.376115 67.85040 3.049270 7.338684 
4.549308 
1 1 1 -1  11  24 o 188.3297 2.371655  7488.409       184.2217 7359.004       
287.5419 7578.508       239.9315 186.8897 3.664686 189.7698 3.011488 -2.880081 
4.743310 
1 1 1 -1  11  25 o 222.1145 2.283646  10386.25       212.9235 10182.16       
301.0385 10590.56       301.2000 219.9249 3.260385 224.3042 3.198444 -4.379318 
4.567291 
1 1 1 -1  11  26 o 139.3994 2.176114  4090.219       127.0938 4085.508       
185.7399 4094.367       174.2823 139.3120 3.175687 139.4868 2.976056 
-0.1747894     4.352229 
1 1 1 -1  11  27 o 172.1170 2.593898  6288.820       183.4945 6024.469       
287.4161 6470.699       238.4031 168.9607 4.051785 175.2733 3.239793 -6.312546 
5.187796 
1 1 1 -1  11  28 o 52.64061 2.889707  589.0956       63.45564 522.0889       
90.84531 652.9374       88.67375 49.67593 4.355896 55.60529 3.798395 -5.929352 
5.779415 
1 1 1 -1  11  29 o 96.70544 2.255225  1973.312       91.55016 1927.393       
128.7064 2020.339       130.2504 95.56385 3.207950 97.84702 3.170680 -2.283173 
4.510449 
1 1 1 -1  11  30 o 60.89775 2.685519  786.7787       68.49071 722.8049       
96.78803 850.9445       96.93311 58.39221 3.948097 63.40329 3.641509 -5.011082 
5.371039 
1 1 1 -1  11  31 o 25.01757 5.013965  139.0273       56.62514 96.78725       
79.82262 181.8167       80.33996 21.66994 7.351567 28.36520 6.820106 -6.695257 
10.02793 
1 1 1 -1  11  32 o 133.1409 2.556267  3636.001       118.4757 4014.248       
257.7330 3534.659       133.4062 136.9105 4.483883 129.3712 2.456176 7.539291 
5.112534 
1 1 1 -1  11  33 o 52.02763 3.430736  573.1015       72.48064 632.2421       
121.0489 540.0470       90.49676 53.91555 5.347709 50.13972 4.299047 3.775829 
6.861472 
1 1 1 -1  11  34 o 22.21293 5.574286  106.0446       67.63158 26.14145       
122.2185 141.3112       81.19640 19.77147 8.408555 24.65438 7.320304 -4.882915 
11.14857 
1 1 1 -1  11  35 o 31.86216 5.477631  206.5020       71.29945 393.4295       
129.2404 124.7198       85.48526 40.49681 7.882780 23.22752 7.607860 17.26929 
10.95526 
1 1 1 -1  11  36 o 52.48997 5.417974  688.6507       106.7717 548.5662       
175.6042 770.8148       134.4871 46.30643 9.360059 58.67352 5.459586 -12.36708 
10.83595 
1 1 1 -1  11  37 o 75.49902 3.388099  1269.412       107.3420 1273.249       
149.7130 1265.353       153.9863 75.68815 4.711429 75.30990 4.870248 0.3782501 
6.776199 
1 1 1 -1  11  38 o 40.66703 5.293666  407.4360       86.72348 267.0861       
115.2032 590.9865       131.7457 31.45301 8.515546 49.88104 6.291032 -18.42803 
10.58733 
1 1 1 -1  11  39 o 29.88258 5.971008  246.2954       85.85334 123.9944       
115.7788 395.6932       127.9635 21.88760 8.610128 37.87755 8.275108 -15.98995 
11.94202 
1 1 1 -1  12  1  o 373.5776 4.338565  28999.70       610.1288 28561.68       
715.8114 30163.30       1166.693 368.6486 4.624951 378.5066 7.341826 -9.857971 
8.677130 
1 1 1 -1  12  2  o 315.3813 4.410553  20861.52       580.2236 20399.67       
773.8369 21454.60       876.9164 311.4393 5.918302 319.3232 6.541070 -7.883942 
8.821105 
1 1 1 -1  12  3  o 362.3441 3.986910  27729.38       576.4043 27215.42       
977.2900 28003.54       713.7688 359.6593 6.472220 365.0288 4.657485 -5.369568 
7.973819 
1 1 1 -1  12  4  o 26.65969 2.386317  149.2307       26.64569 135.6358       
37.17467 163.5949       38.21214 25.41092 3.484559 27.90845 3.261269 -2.497530 
4.772634 
1 1 1 -1  12  5  o 331.7600 3.152447  22453.93       353.8829 22007.39       
394.7910 24279.83       798.3173 323.7136 2.904875 339.8064 5.595838 -16.09283 
6.304895 
1 1 1 -1  12  6  o 298.2364 3.458014  18616.18       419.5763 18380.31       
529.7932 19013.02       687.1878 295.7591 4.266673 300.7137 5.443063 -4.954590 
6.916027 
1 1 1 -1  12  7  o 396.1526 3.247902  32621.96       513.7717 31848.71       
631.5693 34134.76       883.3962 389.3545 3.863642 402.9507 5.221853 -13.59628 
6.495805 
1 1 1 -1  12  8  o 239.2612 3.284013  11990.30       326.4089 11758.78       
429.5444 12306.67       502.1327 236.5560 4.325090 241.9664 4.942931 -5.410355 
6.568027 
1 1 1 -1  12  9  o 439.2234 3.683293  40131.32       657.5128 38920.27       
825.7400 42229.60       1086.906 430.3399 4.570385 448.1070 5.777384 -17.76709 
7.366586 
1 1 1 -1  12  10 o 56.62346 1.971789  673.8584       46.83750 697.5964       
65.82009 649.5074       66.66445 57.63506 2.720150 55.61186 2.855275 2.023193 
3.943578 
1 1 1 -1  12  11 f 284.5585 2.386508  17003.33       285.0304 17235.71       
408.9444 16783.79       397.4874 286.4472 3.400485 282.6697 3.349385 3.777435 
4.773015 
1 1 1 -1  12  12 o 438.3063 7.287145  40664.09       1272.157 40331.65       
2169.673 40838.26       1570.432 436.4944 11.83959 440.1183 8.499056 -3.623962 
14.57429 
1 1 1 -1  12  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  12  14 o 148.3527 2.217486  4568.748       128.5169 4770.264       
230.6769 4478.045       154.7602 150.6800 3.646443 146.0253 2.524365 4.654694 
4.434971 
1 1 1 -1  12  15 o 176.6391 2.135863  6603.298       148.9342 6407.927       
257.3286 6701.708       182.6315 174.6394 3.509675 178.6388 2.435123 -3.999405 
4.271726 
1 1 1 -1  12  16 o 132.0417 2.170238  3636.601       115.2936 3753.163       
194.3828 3573.338       143.2024 133.6487 3.464289 130.4347 2.615040 3.213989 
4.340476 
1 1 1 -1  12  17 o 83.58929 2.220194  1471.241       76.31349 1452.060       
120.3785 1484.130       98.67567 83.12501 3.449357 84.05358 2.796243 
-0.9285736     4.440388 
1 1 1 -1  12  18 o 165.4245 2.633468  5718.238       172.9292 5859.123       
299.5353 5647.805       211.7895 166.9048 4.274647 163.9442 3.077013 2.960571 
5.266936 
1 1 1 -1  12  19 o 231.4818 2.872755  11307.63       275.5595 11041.10       
422.6392 11504.71       363.4288 229.0603 4.394818 233.9032 3.700873 -4.842850 
5.745511 
1 1 1 -1  12  20 o 90.93098 2.245999  1729.429       85.20596 1474.723       
116.3839 2023.644       125.0849 83.74667 3.310140 98.11531 3.036612 -14.36864 
4.491997 
1 1 1 -1  12  21 o 214.8378 2.731791  9705.343       246.2635 9390.824       
341.5511 10045.88       355.4000 211.2183 3.851636 218.4573 3.875002 -7.238983 
5.463583 
1 1 1 -1  12  22 o 267.2430 2.932294  15097.10       324.0570 14766.17       
500.8030 15335.46       425.0338 264.6229 4.507758 269.8630 3.751468 -5.240082 
5.864588 
1 1 1 -1  12  23 o 137.3559 2.574905  3963.754       145.4381 4024.579       
230.9968 3923.806       187.2006 138.1807 3.981801 136.5310 3.265855 1.649704 
5.149811 
1 1 1 -1  12  24 o 159.8901 2.814487  5412.241       187.7121 5165.542       
278.0122 5618.939       254.4764 156.4824 4.231745 163.2979 3.711830 -6.815491 
5.628974 
1 1 1 -1  12  25 o 71.77402 2.332022  1090.641       69.56724 1037.032       
104.6212 1133.131       93.14214 70.16737 3.551449 73.38068 3.023330 -3.213318 
4.664045 
1 1 1 -1  12  26 o 71.65120 2.280394  1080.966       68.56715 1077.155       
98.36520 1084.569       95.62982 71.52501 3.275704 71.77740 3.173414 
-0.2523880     4.560788 
1 1 1 -1  12  27 o 169.4226 2.165478  5978.255       145.3854 6242.775       
253.7878 5849.043       177.3745 172.0988 3.512480 166.7463 2.533705 5.352509 
4.330956 
1 1 1 -1  12  28 o 104.2788 2.331235  2295.143       101.8143 2263.220       
148.6843 2323.329       139.7087 103.5774 3.419175 104.9802 3.169837 -1.402824 
4.662470 
1 1 1 -1  12  29 o 78.80263 2.521987  1317.170       82.96415 1260.611       
122.4809 1365.121       112.7769 77.20135 3.778893 80.40391 3.340906 -3.202560 
5.043975 
1 1 1 -1  12  30 o 26.48315 4.995754  156.8682       56.85126 177.9389       
81.27000 136.6765       79.55702 28.13844 6.918631 24.82787 7.208521 3.310566 
9.991508 
1 1 1 -1  12  31 o 62.37856 2.644505  824.4518       69.19530 864.9490       
100.3558 787.7512       95.53584 63.83535 3.744575 60.92177 3.735209 2.913582 
5.289010 
1 1 1 -1  12  32 o 86.38348 2.624644  1496.399       86.97684 1817.264       
166.2670 1375.514       102.0541 92.18803 4.295883 80.57892 3.016687 11.60912 
5.249287 
1 1 1 -1  12  33 o 73.83083 3.198125  1248.211       90.27861 969.1526       
153.7267 1395.120       111.5386 66.68777 5.490654 80.97387 3.280964 -14.28609 
6.396250 
1 1 1 -1  12  34 o 36.78093 4.920243  262.5618       70.67059 499.7142       
129.8466 162.7440       84.24044 47.23961 6.547044 26.32224 7.346521 20.91737 
9.840486 
1 1 1 -1  12  35 o 40.62094 4.421844  340.0737       71.45901 480.3413       
128.8687 277.7943       85.86996 45.95613 6.679211 35.28574 5.796463 10.67039 
8.843689 
1 1 1 -1  12  36 o 26.11243 5.879832  172.1846       72.92413 124.9624       
128.4224 194.6579       88.59315 23.96434 9.151281 28.26051 7.385374 -4.296169 
11.75966 
1 1 1 -1  12  37 o 50.51588 4.344047  589.4622       91.96689 622.2439       
129.5073 556.1140       130.6215 52.09634 5.921177 48.93543 6.357880 3.160908 
8.688093 
1 1 1 -1  12  38 o 31.52218 8.631203  269.1119       117.5332 269.1119       
117.5332 0.000000       0.000000 31.52218 8.631203 ?        ?        ? ? 
1 1 1 -1  12  39 o 16.56280 5.334061  -9.982780      81.58241 -25.89675      
111.0664 8.664680       120.2273 15.77016 7.255448 17.35544 7.820951 -1.585286 
10.66812 
1 1 1 -1  13  1  o 331.1889 3.837808  23166.35       525.5357 22452.14       
810.5976 23684.24       690.2606 326.7137 5.909613 335.6641 4.898118 -8.950348 
7.675616 
1 1 1 -1  13  2  o 515.0250 5.338872  55807.47       1100.683 55682.58       
1363.915 56040.69       1863.837 514.4498 6.314883 515.6002 8.610253 -1.150391 
10.67774 
1 1 1 -1  13  3  o 526.6479 5.771432  57906.64       1133.508 57287.59       
1323.798 59607.63       2194.363 521.8665 6.042037 531.4294 9.835217 -9.562927 
11.54286 
1 1 1 -1  13  4  o 57.75623 1.761595  702.0760       42.60841 670.9769       
61.58896 730.6237       59.00860 56.52587 2.595235 58.98658 2.382776 -2.460712 
3.523189 
1 1 1 -1  13  5  o 409.8329 4.719883  35460.60       807.9327 34070.98       
1191.109 36644.80       1099.554 402.3129 7.051940 417.3529 6.275295 -15.04001 
9.439767 
1 1 1 -1  13  6  o 264.5458 3.460194  14684.55       378.9413 14555.93       
495.1439 14866.38       588.7331 263.1788 4.481276 265.9129 5.273513 -2.734161 
6.920388 
1 1 1 -1  13  7  o 336.7418 3.179980  23835.47       438.4084 23809.67       
702.4346 23851.94       561.1105 336.5498 4.971388 336.9337 3.966660 
-0.3839111     6.359960 
1 1 1 -1  13  8  o 413.3952 4.241999  35798.84       733.9201 34182.18       
991.5540 37757.71       1091.464 403.1353 5.858503 423.6552 6.136461 -20.51993 
8.483997 
1 1 1 -1  13  9  o 56.26709 1.986840  665.1699       46.91454 684.1483       
66.11744 645.9255       66.57935 57.07619 2.759193 55.45798 2.859543 1.618217 
3.973680 
1 1 1 -1  13  10 o 169.8403 2.295683  6063.573       163.5645 5833.255       
232.5589 6289.028       230.0910 166.6438 3.324030 173.0368 3.167249 -6.393005 
4.591366 
1 1 1 -1  13  11 o 226.9799 2.687589  10861.82       253.3940 10555.50       
384.6157 11096.74       336.8270 224.1269 4.087465 229.8328 3.490727 -5.705963 
5.375179 
1 1 1 -1  13  12 o 414.8320 7.100621  36393.40       1174.644 36223.22       
2000.061 36483.01       1451.314 413.6782 11.51600 415.9857 8.310057 -2.307465 
14.20124 
1 1 1 -1  13  13 o 427.7676 9.960296  38745.42       1690.905 39443.88       
2922.226 38393.84       2073.240 429.7598 16.19605 425.7754 11.59819 3.984436 
19.92059 
1 1 1 -1  13  14 o 69.23433 2.337336  989.6691       66.60763 1092.269       
107.2256 925.2012       84.99570 72.10195 3.542195 66.36671 3.050477 5.735237 
4.674671 
1 1 1 -1  13  15 o 320.8784 4.958907  21322.93       608.8915 22605.55       
1137.689 20808.05       720.8160 327.2820 8.279852 314.4747 5.459587 12.80728 
9.917814 
1 1 1 -1  13  16 o 173.3024 2.550628  6345.788       180.8763 6156.136       
287.9974 6469.322       232.4367 171.1294 4.008529 175.4753 3.155076 -4.345871 
5.101255 
1 1 1 -1  13  17 o 80.52145 2.294353  1353.181       76.73955 1424.115       
118.6731 1302.203       100.6038 82.31761 3.433844 78.72530 3.043835 3.592316 
4.588706 
1 1 1 -1  13  18 o 225.2120 3.160341  10530.54       266.0011 10982.18       
514.9153 10366.14       310.6649 228.3465 5.371091 222.0775 3.332028 6.268997 
6.320683 
1 1 1 -1  13  19 o 259.1309 4.697234  14191.38       488.2662 14147.33       
821.3190 14215.46       607.2187 258.5870 7.565301 259.6747 5.569762 -1.087677 
9.394467 
1 1 1 -1  13  20 o 91.52339 1.916603  1758.686       73.12583 1775.811       
110.4034 1745.301       97.60605 91.91358 2.861040 91.13321 2.551063 0.7803726 
3.833207 
1 1 1 -1  13  21 o 108.2332 2.402789  2441.219       106.2955 2565.464       
173.0863 2365.990       134.6854 110.3974 3.734434 106.0690 3.024496 4.328415 
4.805577 
1 1 1 -1  13  22 o 271.7670 3.529585  15459.03       380.8457 16011.86       
660.8057 15184.07       466.0298 275.1249 5.720907 268.4091 4.135590 6.715820 
7.059170 
1 1 1 -1  13  23 o 160.0636 2.429225  5411.795       162.6986 5119.565       
235.7119 5677.720       224.8531 155.8988 3.601303 164.2283 3.261159 -8.329437 
4.858450 
1 1 1 -1  13  24 o 134.1341 2.318952  3779.675       128.1682 3830.896       
202.2382 3745.294       165.6906 134.8552 3.572042 133.4130 2.958153 1.442154 
4.637904 
1 1 1 -1  13  25 o 166.1234 2.805872  5795.723       193.9531 5978.499       
296.6338 5659.231       256.3392 168.3609 4.196630 163.8859 3.725585 4.474930 
5.611745 
1 1 1 -1  13  26 f 133.4355 2.630643  3758.456       147.0863 3508.791       
208.8180 4004.300       207.2141 129.0110 3.855337 137.8601 3.580154 -8.849152 
5.261286 
1 1 1 -1  13  27 o 71.54781 2.625123  1069.729       78.31741 1163.111       
119.4995 999.4210       103.6904 74.24835 3.833543 68.84727 3.587343 5.401077 
5.250246 
1 1 1 -1  13  28 o 142.1056 2.726321  4251.014       159.4729 4345.509       
252.8954 4188.634       205.4752 143.3253 4.202802 140.8858 3.473867 2.439484 
5.452641 
1 1 1 -1  13  29 o 104.1677 2.193999  2299.768       93.58204 2243.031       
148.8993 2336.813       120.3139 103.0386 3.442023 105.2968 2.721582 -2.258263 
4.387999 
1 1 1 -1  13  30 o 75.84277 2.626308  1224.855       82.89904 1162.204       
123.8220 1275.749       111.6019 74.02465 3.984211 77.66089 3.422869 -3.636238 
5.252616 
1 1 1 -1  13  31 o 41.38999 3.899060  365.6423       66.40174 382.6808       
105.8936 354.6013       85.24299 42.08827 5.992798 40.69171 4.989693 1.396561 
7.798119 
1 1 1 -1  13  32 o 104.9680 2.883763  2294.466       112.3539 2478.188       
221.2028 2230.589       130.4313 107.3349 4.908749 102.6012 3.027961 4.733620 
5.767526 
1 1 1 -1  13  33 o 35.70380 5.137102  330.1215       70.48830 186.6583       
122.6366 400.8991       86.13861 28.32659 9.103740 43.08102 4.762478 -14.75443 
10.27420 
1 1 1 -1  13  34 o 43.81530 4.148860  387.5432       71.83382 543.0997       
131.7124 321.6848       85.70148 49.32661 6.360139 38.30400 5.329240 11.02261 
8.297721 
1 1 1 -1  13  35 o 51.11386 3.752426  575.3685       70.76739 581.1860       
137.5056 573.2725       82.53722 50.66819 6.464068 51.55954 3.812957 
-0.8913574     7.504853 
1 1 1 -1  13  36 o 44.65604 4.302220  406.8426       75.45452 598.2239       
140.6202 329.4592       89.41730 50.99107 6.568626 38.32100 5.557836 12.67007 
8.604440 
1 1 1 -1  13  37 o 21.30917 5.747449  96.56213       73.92033 16.75222       
132.2619 132.8161       89.14234 19.26112 8.472134 23.35722 7.768889 -4.096094 
11.49490 
1 1 1 -1  13  38 o 52.35058 4.041434  625.4910       88.01951 533.5421       
116.3720 748.4187       134.5551 47.86543 5.790922 56.83574 5.638971 -8.970306 
8.082869 
1 1 1 -1  13  39 f 21.38742 9.559701  75.29466       176.2715 75.29466       
176.2715 0.000000       0.000000 21.38742 9.559701 ?        ?        ? ? 
1 1 1 -1  14  1  o 146.1542 1.770106  4472.434       108.0956 4356.426       
145.1054 4617.085       162.0317 144.0333 2.399616 148.2750 2.602873 -4.241699 
3.540212 
1 1 1 -1  14  2  f 196.0334 2.192662  8075.438       180.3498 7762.870       
255.3622 8386.495       254.7451 192.2446 3.163906 199.8222 3.036570 -7.577606 
4.385323 
1 1 1 -1  14  3  o 146.5368 1.934102  4456.571       113.1584 4679.216       
194.7721 4343.130       139.0291 149.2575 3.108219 143.8162 2.302603 5.441299 
3.868205 
1 1 1 -1  14  4  o 386.6034 3.536160  31702.43       539.7410 30585.21       
930.7957 32268.41       662.4957 381.3250 5.814069 391.8817 4.026698 -10.55676 
7.072319 
1 1 1 -1  14  5  o 236.0332 2.625843  11692.07       258.8568 11585.88       
348.0130 11823.57       387.2858 234.8442 3.529690 237.2222 3.888636 -2.377991 
5.251686 
1 1 1 -1  14  6  o 202.9586 2.401900  8614.695       196.0089 8521.962       
243.6423 8784.821       330.0035 201.4367 2.880946 204.4805 3.844039 -3.043823 
4.803799 
1 1 1 -1  14  7  o 275.4803 2.715575  15715.59       289.5490 15366.97       
345.8271 16532.97       529.5369 270.4889 3.045304 280.4717 4.497056 -9.982788 
5.431149 
1 1 1 -1  14  8  o 370.3643 2.943545  28824.19       457.6938 28887.26       
648.8828 28761.75       645.6826 370.7670 4.168562 369.9617 4.157032 0.8052979 
5.887090 
1 1 1 -1  14  9  o 236.1498 2.072259  11688.31       204.2659 11494.85       
273.4865 11932.40       307.1941 233.9504 2.784409 238.3493 3.069870 -4.398895 
4.144519 
1 1 1 -1  14  10 o 106.3935 1.916642  2376.174       85.44698 2360.011       
117.0685 2394.601       125.0018 106.0079 2.630404 106.7791 2.788375 
-0.7711716     3.833284 
1 1 1 -1  14  11 o 232.1500 2.681071  11259.61       217.4753 11439.66       
462.4644 11208.48       246.4221 233.2755 4.722047 231.0246 2.540636 2.250839 
5.362141 
1 1 1 -1  14  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  14  13 o 446.3896 5.088206  41131.90       699.3944 43253.02       
1767.808 40738.30       761.5267 452.5165 9.305117 440.2626 4.119973 12.25397 
10.17641 
1 1 1 -1  14  14 o 190.0663 3.191767  7587.983       240.9000 7618.327       
414.8891 7572.551       295.8870 190.3037 5.192851 189.8289 3.712654 0.4748230 
6.383533 
1 1 1 -1  14  15 o 257.9974 4.641151  14054.11       483.4979 13915.87       
800.1259 14133.62       606.8193 256.8633 7.419546 259.1315 5.577765 -2.268250 
9.282302 
1 1 1 -1  14  16 o 337.4233 5.180617  24022.89       680.4561 24027.62       
1216.107 24020.73       821.0078 337.1201 8.592278 337.7264 5.790329 
-0.6063232     10.36123 
1 1 1 -1  14  17 o 165.6847 2.435286  5724.935       150.6978 5869.019       
290.8616 5672.065       176.1899 167.0497 4.147265 164.3197 2.553950 2.730011 
4.870572 
1 1 1 -1  14  18 o 63.22410 2.313125  867.2889       59.41396 693.1091       
90.06451 1001.491       79.05579 57.40977 3.736706 69.03843 2.727494 -11.62866 
4.626251 
1 1 1 -1  14  19 o 182.4606 2.365248  6968.798       161.2181 7069.821       
310.2453 6931.427       188.6958 183.2924 4.031641 181.6289 2.474563 1.663452 
4.730496 
1 1 1 -1  14  20 o 270.5770 3.846854  15255.10       394.6765 15907.41       
745.8511 15001.41       465.1349 274.2429 6.477953 266.9112 4.150814 7.331726 
7.693707 
1 1 1 -1  14  21 o 101.7852 2.065098  2189.068       87.30843 2102.914       
132.0761 2255.935       116.3577 99.98313 3.146435 103.5873 2.675530 -3.604149 
4.130195 
1 1 1 -1  14  22 o 65.64825 2.408480  914.6678       63.63748 880.8136       
105.3233 934.1331       79.86385 64.65566 3.880066 66.64085 2.854504 -1.985191 
4.816960 
1 1 1 -1  14  23 o 124.4796 2.783242  3234.537       139.9624 3382.479       
234.4095 3152.574       174.4780 126.6031 4.410136 122.3562 3.396532 4.246872 
5.566483 
1 1 1 -1  14  24 o 195.2583 3.137811  8113.035       248.9073 7771.177       
402.2578 8325.137       316.8503 191.7587 4.996554 198.7580 3.797087 -6.999329 
6.275621 
1 1 1 -1  14  25 o 203.5556 2.453924  8741.886       196.1518 8682.486       
344.3413 8770.420       238.6588 202.9242 4.041814 204.1869 2.784009 -1.262726 
4.907848 
1 1 1 -1  14  26 o 35.90115 3.594479  273.0980       53.10733 270.2690       
83.59344 275.0126       68.76859 35.71729 5.574614 36.08502 4.539252 
-0.3677292     7.188959 
1 1 1 -1  14  27 o 195.0702 2.274518  7890.389       167.4050 8309.149       
319.7766 7732.298       196.4797 198.4237 3.838612 191.7167 2.441063 6.707031 
4.549036 
1 1 1 -1  14  28 o 83.75438 2.415381  1489.997       83.98277 1408.730       
126.6442 1553.786       112.2021 81.66499 3.693775 85.84377 3.113244 -4.178772 
4.830762 
1 1 1 -1  14  29 o 138.8751 2.604791  4066.875       144.9310 4120.495       
245.3965 4038.154       179.6002 139.4219 4.192359 138.3283 3.092549 1.093521 
5.209581 
1 1 1 -1  14  30 o 89.47737 2.426869  1715.701       89.71216 1545.197       
135.3652 1849.249       119.8002 85.38815 3.775987 93.56659 3.049705 -8.178444 
4.853739 
1 1 1 -1  14  31 o 137.8580 2.404680  3998.880       125.1291 4094.621       
237.0506 3961.899       147.3264 138.7089 4.070595 137.0072 2.561288 1.701691 
4.809360 
1 1 1 -1  14  32 o 15.28382 4.758962  -21.29774      59.00132 7.389468       
90.71758 -42.32841      77.67368 16.95481 7.228501 13.61284 6.191902 3.341965 
9.517924 
1 1 1 -1  14  33 o 76.00040 2.738320  1132.393       78.83962 1484.639       
156.0433 1011.654       91.35767 83.02417 4.476738 68.97662 3.154744 14.04755 
5.476641 
1 1 1 -1  14  34 o 19.85365 5.584568  39.19742       63.23652 122.6933       
123.8395 9.747164       73.54805 24.34515 9.062981 15.36214 6.527784 8.983011 
11.16914 
1 1 1 -1  14  35 o 70.12117 2.904757  1044.278       79.01350 1120.865       
144.0909 1011.346       94.48627 71.52724 4.798285 68.71510 3.275198 2.812149 
5.809515 
1 1 1 -1  14  36 o 24.31468 5.770685  146.1483       70.85661 77.03268       
130.9205 174.7803       84.26466 21.81647 8.944774 26.81288 7.293437 -4.996410 
11.54137 
1 1 1 -1  14  37 o 51.66908 3.964167  585.2822       80.66578 671.8148       
144.5836 546.1736       97.19985 53.73536 6.408847 49.60281 4.667458 4.132553 
7.928335 
1 1 1 -1  14  38 o 41.29381 4.646069  365.4152       72.93570 521.6683       
144.4161 311.9146       84.50466 45.80102 7.510375 36.78660 5.471571 9.014416 
9.292138 
1 1 1 -1  14  39 o 22.68527 5.740509  139.8976       75.81808 47.85989       
125.3661 192.9726       95.20126 18.94088 8.290232 26.42965 7.942657 -7.488771 
11.48102 
1 1 1 -1  15  1  o 116.9200 1.849620  2872.043       90.73635 2904.660       
126.5391 2837.523       130.1795 117.6047 2.562839 116.2354 2.667628 1.369286 
3.699241 
1 1 1 -1  15  2  o 231.5992 2.946753  11302.76       285.0963 10941.16       
420.9701 11609.12       387.4825 228.1533 4.394865 235.0451 3.926648 -6.891739 
5.893505 
1 1 1 -1  15  3  o 276.7555 2.997687  15765.02       293.3369 15490.47       
332.9981 16716.03       619.7577 271.5731 2.920627 281.9378 5.235880 -10.36469 
5.995374 
1 1 1 -1  15  4  o 49.92064 2.067340  522.8859       43.30427 500.7986       
60.22149 546.5358       62.31514 48.82997 2.937556 51.01131 2.909699 -2.181343 
4.134680 
1 1 1 -1  15  5  o 465.1284 3.945920  45568.57       763.0793 45037.71       
1159.322 45974.37       1013.611 462.6685 5.968361 467.5884 5.163315 -4.919952 
7.891841 
1 1 1 -1  15  6  o 541.4110 5.932595  61993.81       1329.222 60677.23       
2049.360 62949.88       1746.387 536.2195 9.103252 546.6025 7.610093 -10.38293 
11.86519 
1 1 1 -1  15  7  o 212.7174 2.823246  9511.252       250.7279 9537.364       
337.4907 9479.087       374.5660 213.0550 3.773038 212.3799 4.200840 0.6751251 
5.646492 
1 1 1 -1  15  8  o 438.5642 4.321556  40258.68       740.7504 39890.93       
894.6971 41060.17       1320.822 435.5874 4.892398 441.5411 7.125155 -5.953705 
8.643112 
1 1 1 -1  15  9  o 310.5604 3.836408  20200.44       493.0656 19796.45       
642.1407 20780.79       769.6526 306.8401 4.984702 314.2807 5.833083 -7.440552 
7.672816 
1 1 1 -1  15  10 o 540.3566 7.777611  61329.25       1502.331 62702.09       
3092.874 60905.30       1718.711 543.1313 13.56371 537.5819 7.615162 5.549377 
15.55522 
1 1 1 -1  15  11 o 247.5969 5.978278  12781.54       579.9447 13358.14       
1035.020 12517.67       700.1841 251.4033 9.806152 243.7906 6.840950 7.612732 
11.95656 
1 1 1 -1  15  12 o 373.9877 3.907661  29487.35       537.6448 29304.07       
1054.156 29551.79       625.0521 372.9935 6.731696 374.9819 3.970333 -1.988403 
7.815322 
1 1 1 -1  15  13 o 93.45378 2.001227  1824.844       76.46451 1876.557       
123.8321 1792.975       97.21107 94.51171 3.120820 92.39585 2.506019 2.115860 
4.002455 
1 1 1 -1  15  14 o 413.7168 5.541561  36178.16       931.1078 35906.21       
1520.403 36341.36       1177.810 412.1858 8.785908 415.2478 6.755992 -3.061951 
11.08312 
1 1 1 -1  15  15 o 179.3698 3.174502  6741.734       226.9625 6847.284       
388.9592 6687.243       279.4745 180.3763 5.136245 178.3634 3.732137 2.012894 
6.349004 
1 1 1 -1  15  16 f 99.75902 2.404227  2083.975       98.79181 2131.112       
156.3960 2052.678       127.4352 100.6826 3.699919 98.83541 3.071129 1.847206 
4.808455 
1 1 1 -1  15  17 o 134.3486 1.838759  3837.616       100.8637 3585.335       
159.8094 4004.650       130.0358 130.6202 2.914158 138.0770 2.243172 -7.456848 
3.677518 
1 1 1 -1  15  18 o 253.3058 4.587587  13388.30       448.8978 13967.94       
821.7214 13141.74       535.9357 256.8754 7.619442 249.7361 5.111547 7.139236 
9.175174 
1 1 1 -1  15  19 o 117.1616 2.071637  2803.542       93.16805 3087.896       
174.6789 2690.487       110.1429 121.1633 3.433922 113.1598 2.318383 8.003502 
4.143274 
1 1 1 -1  15  20 o 70.99297 2.440302  1073.008       71.42562 985.8426       
109.3715 1137.826       94.31490 68.43118 3.806896 73.55476 3.054152 -5.123573 
4.880604 
1 1 1 -1  15  21 o 177.1218 3.253524  6587.703       232.0984 6724.740       
389.2396 6512.094       289.1213 178.4254 5.196146 175.8183 3.916852 2.607132 
6.507047 
1 1 1 -1  15  22 o 32.77881 3.498120  223.3282       47.38185 247.1428       
75.29414 207.7142       60.96712 34.18922 5.245574 31.36840 4.629396 2.820822 
6.996239 
1 1 1 -1  15  23 o 109.4570 2.427804  2538.281       110.7770 2364.292       
163.1506 2687.105       150.8913 105.9309 3.668487 112.9831 3.181057 -7.052200 
4.855608 
1 1 1 -1  15  24 o 259.7993 3.566715  14119.54       352.2501 14611.26       
661.5173 13924.93       416.1561 262.5566 6.001217 257.0419 3.856323 5.514679 
7.133431 
1 1 1 -1  15  25 o 92.51713 2.403026  1790.740       91.14724 1856.371       
146.7331 1749.504       116.3081 93.85880 3.723697 91.17546 3.038458 2.683334 
4.806053 
1 1 1 -1  15  26 f 85.55080 2.511656  1473.446       87.13305 1810.075       
148.3821 1296.272       107.6478 92.64964 3.814687 78.45194 3.268306 14.19770 
5.023312 
1 1 1 -1  15  27 o 118.7375 2.603703  2983.609       126.7700 2934.475       
201.3633 3015.870       163.1630 117.8568 4.069556 119.6182 3.248968 -1.761436 
5.207406 
1 1 1 -1  15  28 o 139.8465 2.747936  4108.930       152.5743 4216.423       
264.1172 4055.094       186.9175 141.0499 4.460104 138.6430 3.211242 2.406906 
5.495871 
1 1 1 -1  15  29 o 77.79476 2.587337  1249.228       81.42831 1394.522       
137.6951 1171.091       100.9772 81.12268 4.042938 74.46684 3.229845 6.655838 
5.174674 
1 1 1 -1  15  30 o 131.1202 2.298150  3646.895       121.8763 3592.889       
200.5822 3678.504       153.4514 130.2165 3.668997 132.0238 2.768470 -1.807281 
4.596299 
1 1 1 -1  15  31 o 80.21256 2.688689  1352.508       87.84892 1429.059       
144.4305 1307.557       110.6757 81.88448 4.201250 78.54065 3.356441 3.343826 
5.377378 
1 1 1 -1  15  32 o 54.01126 3.312538  595.1930       72.19945 744.3902       
124.7234 520.0004       88.54315 58.73900 5.057577 49.28352 4.279316 9.455486 
6.625076 
1 1 1 -1  15  33 o 71.60915 2.814249  1082.954       80.86258 1154.333       
137.9402 1045.582       99.81116 73.17845 4.489817 70.03984 3.394338 3.138611 
5.628498 
1 1 1 -1  15  34 o 17.77581 5.392112  16.55780       67.38409 4.711697       
123.5112 21.57802       80.40440 18.99467 8.271856 16.55696 6.919241 2.437702 
10.78422 
1 1 1 -1  15  35 o 21.39634 5.718043  80.69514       67.51437 133.2715       
116.5040 54.11132       82.84273 24.39399 8.828909 18.39868 7.268730 5.995312 
11.43609 
1 1 1 -1  15  36 o 40.58952 4.612480  353.0349       74.29861 464.7088       
134.1000 303.5690       89.24961 44.52353 7.173982 36.65549 5.799470 7.868038 
9.224959 
1 1 1 -1  15  37 o 23.70480 5.972909  105.5801       72.02943 229.1436       
131.7397 52.89080       86.02664 29.25019 9.439085 18.15942 7.321629 11.09077 
11.94582 
1 1 1 -1  15  38 o 30.68818 5.473904  183.2864       70.12361 449.7684       
136.5627 87.86161       81.72007 41.62228 8.104152 19.75408 7.360517 21.86821 
10.94781 
1 1 1 -1  15  39 o 46.16521 4.446569  482.8232       81.84319 659.3389       
146.4967 402.7339       98.67870 51.26907 6.806026 41.06136 5.724153 10.20771 
8.893138 
1 1 1 -1  16  1  o 121.1139 3.019432  3081.490       153.5318 0.000000       
0.000000 3081.490       153.5318 ?        ?        121.1139 3.019432 ? ? 
1 1 1 -1  16  2  o 305.2880 3.896615  18759.67       376.1714 18339.19       
411.0456 20926.92       933.2030 295.4472 3.313838 315.1287 7.053575 -19.68149 
7.793230 
1 1 1 -1  16  3  o 171.9629 2.467411  6213.435       178.1223 6113.714       
251.6978 6313.480       252.1085 170.5796 3.514580 173.3463 3.464129 -2.766724 
4.934822 
1 1 1 -1  16  4  o 351.1381 4.756023  25934.80       696.7325 25676.21       
932.2972 26261.91       1048.578 349.2197 6.358822 353.0564 7.074207 -3.836700 
9.512047 
1 1 1 -1  16  5  o 325.6449 3.892424  22286.30       528.1426 22125.26       
703.7285 22493.97       799.1512 324.3414 5.168015 326.9483 5.821983 -2.606873 
7.784849 
1 1 1 -1  16  6  o 351.1147 2.748109  25762.84       395.0623 25272.97       
503.3198 26548.95       637.6025 346.8311 3.456584 355.3983 4.273224 -8.567261 
5.496219 
1 1 1 -1  16  7  o 291.9634 2.671078  17939.26       325.8392 17623.87       
482.8304 18203.02       441.5447 289.5876 3.971327 294.3391 3.573121 -4.751465 
5.342156 
1 1 1 -1  16  8  o 294.7331 2.959831  18069.50       336.1658 17789.93       
400.7657 18733.14       617.4685 290.9994 3.280345 298.4668 4.927649 -7.467438 
5.919661 
1 1 1 -1  16  9  o 291.4847 3.820938  17872.11       466.9810 17914.90       
678.2994 17833.56       643.8671 291.8004 5.536770 291.1689 5.267109 0.6315613 
7.641876 
1 1 1 -1  16  10 o 149.8164 2.056356  4678.185       122.1202 4824.765       
212.4766 4605.880       149.2307 151.5396 3.339690 148.0931 2.400182 3.446442 
4.112712 
1 1 1 -1  16  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  16  12 o 87.17831 2.179450  1572.388       78.32559 1720.895       
125.3037 1477.149       100.3459 90.50026 3.297881 83.85637 2.850262 6.643890 
4.358901 
1 1 1 -1  16  13 o 125.9565 2.307781  3273.456       115.1139 3512.890       
202.4803 3159.108       139.9272 129.2794 3.730565 122.6337 2.717775 6.645653 
4.615562 
1 1 1 -1  16  14 o 260.7428 4.048307  14221.30       406.0971 14562.13       
745.6555 14077.58       484.2072 262.7800 6.758759 258.7056 4.458067 4.074463 
8.096615 
1 1 1 -1  16  15 o 422.0869 5.100630  37280.64       772.4112 38262.55       
1584.021 36974.34       884.7251 425.0759 8.875965 419.0979 5.028216 5.978027 
10.20126 
1 1 1 -1  16  16 o 140.0861 2.656322  4078.390       148.5974 4281.836       
255.6446 3974.575       182.6161 142.6576 4.268377 137.5145 3.163091 5.143082 
5.312644 
1 1 1 -1  16  17 o 49.10914 2.865328  511.8212       57.99822 482.7649       
89.65258 532.7335       76.05762 47.88805 4.459197 50.33022 3.599440 -2.442169 
5.730655 
1 1 1 -1  16  18 o 77.76379 2.161559  1275.116       69.85168 1243.990       
105.9583 1299.041       92.89594 76.91289 3.281381 78.61470 2.814583 -1.701813 
4.323117 
1 1 1 -1  16  19 o 172.0009 2.348786  6215.027       160.8943 6249.543       
275.5336 6197.167       198.1948 172.3060 3.808862 171.6958 2.749499 0.6101837 
4.697571 
1 1 1 -1  16  20 o 195.4288 3.385524  7957.913       258.0322 8327.126       
464.6339 7793.266       310.2765 198.4908 5.575599 192.3668 3.841846 6.124069 
6.771047 
1 1 1 -1  16  21 o 227.6114 3.511488  11016.93       322.3646 10667.54       
531.5886 11220.15       405.4153 224.5354 5.639127 230.6873 4.185983 -6.151932 
7.022977 
1 1 1 -1  16  22 o 30.28975 4.560095  217.1541       56.53032 120.4464       
89.48071 281.3899       72.92690 24.07934 7.780100 36.50017 4.758981 -12.42083 
9.120190 
1 1 1 -1  16  23 o 253.6086 3.579074  13433.78       333.7861 13932.62       
661.3038 13263.25       386.6524 256.3141 6.145393 250.9031 3.670589 5.410980 
7.158148 
1 1 1 -1  16  24 o 135.2513 2.182367  3794.615       116.9259 4015.457       
204.8812 3687.945       142.3914 138.0736 3.534376 132.4289 2.561073 5.644623 
4.364735 
1 1 1 -1  16  25 o 55.72062 3.043969  655.1774       70.61988 655.4831       
106.9655 654.9410       94.02451 55.71323 4.573055 55.72801 4.018727 
-0.1478577E-01 6.087939 
1 1 1 -1  16  26 o 99.56308 2.669184  2076.897       108.2000 2147.039       
177.3293 2035.295       136.5687 100.8389 4.188643 98.28724 3.309598 2.551674 
5.338367 
1 1 1 -1  16  27 o 53.73816 3.169296  612.2964       70.07147 605.9340       
110.3776 616.5915       90.68999 53.45856 4.917955 54.01775 3.998931 
-0.5591927     6.338591 
1 1 1 -1  16  28 o 60.17281 3.096761  798.9521       74.79430 629.4911       
116.2501 918.6500       97.70167 54.40197 5.089790 65.94366 3.528986 -11.54170 
6.193521 
1 1 1 -1  16  29 o 99.54065 2.538472  2082.271       103.6447 2160.875       
166.6204 2032.661       132.3712 100.9859 3.929962 98.09536 3.214150 2.890587 
5.076944 
1 1 1 -1  16  30 o 153.7479 3.387866  5033.632       205.7459 5080.792       
358.0103 5010.375       251.4097 153.8545 5.542510 153.6414 3.897578 0.2131042 
6.775731 
1 1 1 -1  16  31 o 78.31421 2.765041  1286.331       88.21201 1383.058       
145.5136 1230.131       110.9161 80.49352 4.305899 76.13490 3.470021 4.358620 
5.530082 
1 1 1 -1  16  32 o 121.7915 2.616156  3122.910       118.8790 3248.166       
230.1270 3077.320       138.8385 123.0182 4.455735 120.5648 2.742903 2.453354 
5.232312 
1 1 1 -1  16  33 o 22.08695 5.586815  88.79918       64.95788 149.1328       
106.6567 53.22419       81.89944 25.63065 8.497889 18.54324 7.255060 7.087408 
11.17363 
1 1 1 -1  16  34 o 67.21219 3.058310  937.0229       82.27528 1113.762       
143.9930 851.3508       100.2522 71.48777 4.797672 62.93661 3.794126 8.551163 
6.116621 
1 1 1 -1  16  35 o 50.22286 3.584169  545.5582       70.39608 586.5131       
126.3153 527.1075       84.78305 51.14378 5.882803 49.30194 4.096058 1.841835 
7.168338 
1 1 1 -1  16  36 o 20.45080 5.753163  49.07977       70.61832 147.6586       
127.6381 5.592107       84.77572 25.04183 9.223620 15.85977 6.878982 9.182062 
11.50633 
1 1 1 -1  16  37 o 92.57681 3.112885  1826.439       108.1330 2048.812       
210.1299 1746.341       126.1129 95.29482 5.252181 89.85880 3.342875 5.436012 
6.225770 
1 1 1 -1  16  38 o 17.65569 5.247757  31.62781       71.55116 -107.8532      
131.9642 89.70692       85.15475 15.38099 7.345908 19.93038 7.496231 -4.549390 
10.49551 
1 1 1 -1  16  39 o 27.96643 6.004678  231.4252       77.22837 190.4732       
137.6099 250.2537       93.30798 25.20011 9.516678 30.73275 7.325125 -5.532646 
12.00936 
1 1 1 -1  17  1  o 167.0283 2.463940  5812.649       171.5431 5467.033       
226.8913 6273.839       262.0963 161.2902 3.350664 172.7664 3.613455 -11.47615 
4.927880 
1 1 1 -1  17  2  o 355.6123 3.603331  26182.13       483.5606 25650.34       
567.5364 27590.92       923.7325 349.3134 3.869898 361.9112 6.079463 -12.59784 
7.206662 
1 1 1 -1  17  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  17  4  o 204.3575 2.082237  8723.415       175.4658 8517.748       
226.4408 9032.492       277.5916 201.3734 2.678389 207.3417 3.188898 -5.968384 
4.164473 
1 1 1 -1  17  5  f 285.8328 3.987178  17188.96       478.3531 16834.50       
667.5086 17563.17       685.8513 282.8072 5.621956 288.8583 5.655437 -6.051056 
7.974356 
1 1 1 -1  17  6  o 344.2706 3.937875  24865.77       548.6772 24649.85       
688.2709 25242.21       908.7983 342.3440 4.788702 346.1973 6.252660 -3.853363 
7.875749 
1 1 1 -1  17  7  o 158.2121 1.974530  5236.193       130.7101 5010.512       
176.3528 5511.307       194.7118 154.4475 2.719709 161.9767 2.863260 -7.529175 
3.949060 
1 1 1 -1  17  8  o 93.34155 1.724462  1818.730       67.32474 1706.447       
90.53981 1957.600       100.6901 90.13962 2.392461 96.54347 2.484191 -6.403854 
3.448924 
1 1 1 -1  17  9  o 35.12040 3.449470  276.9349       46.73657 207.1662       
72.80296 325.8430       60.95506 30.86572 5.830879 39.37509 3.687306 -8.509373 
6.898941 
1 1 1 -1  17  10 o 230.6293 4.882715  11189.54       472.7753 0.000000       
0.000000 11189.54       472.7753 ?        ?        230.6293 4.882715 ? ? 
1 1 1 -1  17  11 o 84.06658 2.023007  1427.386       68.24386 1677.034       
118.6819 1304.068       83.41311 89.33886 3.164210 78.79430 2.521509 10.54456 
4.046014 
1 1 1 -1  17  12 o 95.30884 2.044157  1925.165       80.95862 1763.140       
120.2524 2059.484       109.4886 91.60213 3.126865 99.01554 2.633824 -7.413406 
4.088315 
1 1 1 -1  17  13 o 164.2592 2.340143  5511.346       143.7212 6020.678       
281.0622 5331.013       167.2397 169.2118 3.956333 159.3065 2.500501 9.905319 
4.680286 
1 1 1 -1  17  14 o 118.8610 2.244683  2981.689       110.9685 2871.157       
167.0860 3068.917       148.4313 116.8713 3.405284 120.8508 2.925481 -3.979507 
4.489365 
1 1 1 -1  17  15 f 38.70237 3.301085  300.0282       52.28442 410.7124       
84.94387 232.5167       66.34039 44.17230 4.580397 33.23243 4.754852 10.93987 
6.602170 
1 1 1 -1  17  16 o 129.6810 1.958035  3464.130       98.92321 3720.880       
179.6180 3352.348       118.5170 133.0363 3.215887 126.3257 2.234653 6.710640 
3.916070 
1 1 1 -1  17  17 o 369.2371 5.746809  28589.23       805.6358 29743.79       
1517.186 28135.84       950.7511 373.5327 9.674562 364.9414 6.205328 8.591339 
11.49362 
1 1 1 -1  17  18 o 102.7937 2.162045  2211.582       91.42198 2273.394       
145.4805 2171.242       117.5273 103.9580 3.333248 101.6293 2.754487 2.328728 
4.324089 
1 1 1 -1  17  19 o 74.27565 2.338941  1166.916       70.52160 1136.497       
114.7497 1185.378       89.39647 73.47060 3.720139 75.08069 2.836045 -1.610085 
4.677883 
1 1 1 -1  17  20 o 107.1832 2.189330  2434.635       95.23099 2347.565       
154.6361 2487.833       120.8712 105.5947 3.488109 108.7717 2.646840 -3.177078 
4.378661 
1 1 1 -1  17  21 o 17.59964 4.911365  26.46766       53.73856 71.67325       
85.49377 -3.058640      69.09441 20.52654 7.549945 14.67275 6.283656 5.853782 
9.822729 
1 1 1 -1  17  22 o 47.49703 2.861739  476.1094       56.28930 473.1934       
86.92936 478.2151       73.86654 47.35386 4.372524 47.64021 3.693135 
-0.2863503     5.723479 
1 1 1 -1  17  23 o 90.42262 2.352620  1660.928       85.72829 1934.286       
147.3841 1521.150       105.3914 95.81912 3.663696 85.02611 2.952392 10.79301 
4.705240 
1 1 1 -1  17  24 o 74.39294 2.291789  1170.370       70.66034 1130.475       
107.9704 1200.258       93.45215 73.26041 3.510399 75.52547 2.947249 -2.265060 
4.583578 
1 1 1 -1  17  25 o 182.9721 3.461810  7027.585       252.8447 7243.790       
433.2990 6915.952       311.3510 184.8929 5.581985 181.0513 4.096092 3.841599 
6.923621 
1 1 1 -1  17  26 o 116.2724 2.477924  2869.527       118.4364 2753.885       
185.5135 2949.091       153.8767 114.2250 3.868438 118.3198 3.097679 -4.094856 
4.955848 
1 1 1 -1  17  27 o 123.5344 2.345425  3235.990       118.4549 3144.576       
189.0949 3295.031       151.9672 122.0183 3.691272 125.0505 2.894580 -3.032227 
4.690850 
1 1 1 -1  17  28 f 166.4684 2.575699  5902.387       170.6518 5720.811       
289.7104 5998.864       211.1761 164.2967 4.200069 168.6401 2.982669 -4.343414 
5.151398 
1 1 1 -1  17  29 o 168.2145 2.775635  5967.898       179.3020 6074.917       
329.4924 5922.874       213.7165 168.9507 4.645223 167.4782 3.039490 1.472443 
5.551270 
1 1 1 -1  17  30 o 138.2394 2.606258  4061.668       138.5238 4033.901       
252.4423 4073.630       165.6990 137.6084 4.369565 138.8704 2.842047 -1.261993 
5.212516 
1 1 1 -1  17  31 o 112.3548 2.507581  2684.168       113.0061 2674.340       
189.9897 2689.549       140.5771 111.9952 4.040655 112.7144 2.970683 
-0.7192078     5.015162 
1 1 1 -1  17  32 o 42.72440 3.940527  402.6199       67.86154 376.4651       
110.5791 418.4214       85.95015 41.36396 6.367546 44.08483 4.643854 -2.720863 
7.881054 
1 1 1 -1  17  33 o 22.31071 5.308095  109.6470       58.87881 92.82043       
91.53867 121.5211       76.89662 21.50934 7.821926 23.11208 7.177812 -1.602736 
10.61619 
1 1 1 -1  17  34 o 107.8103 2.386577  2425.360       96.90745 2630.431       
186.5228 2349.539       113.4161 110.4184 4.023569 105.2022 2.567858 5.216209 
4.773155 
1 1 1 -1  17  35 o 76.19576 3.108902  1241.950       92.50594 1334.473       
166.5978 1200.707       111.2287 77.70683 5.106590 74.68468 3.547369 3.022148 
6.217804 
1 1 1 -1  17  36 o 55.29319 3.814079  638.4787       82.99741 829.2875       
152.3586 557.9620       98.97159 60.32248 6.016014 50.26390 4.690028 10.05858 
7.628158 
1 1 1 -1  17  37 o 49.41813 4.088428  543.1459       78.57383 607.8636       
143.1801 515.2569       93.99128 50.71919 6.724056 48.11706 4.652748 2.602127 
8.176857 
1 1 1 -1  17  38 o 17.46434 5.363691  28.13391       71.77931 -30.11728      
131.8911 52.64799       85.56004 17.21451 7.914274 17.71417 7.241615 
-0.4996586     10.72738 
1 1 1 -1  17  39 o 24.42080 5.906259  166.1155       71.26315 174.3715       
118.7730 161.4717       89.07845 24.54516 8.911425 24.29642 7.753842 0.2487392 
11.81252 
1 1 1 -1  18  1  o 50.79904 2.091183  533.8661       44.20274 449.7385       
58.76237 643.5131       67.08545 46.25985 3.025633 55.33823 2.887514 -9.078388 
4.182367 
1 1 1 -1  18  2  o 142.5449 2.365032  4260.860       139.2303 4326.507       
218.2030 4215.778       180.8249 143.4525 3.623045 141.6373 3.040898 1.815216 
4.730064 
1 1 1 -1  18  3  o 375.8972 3.744828  30039.14       551.2175 28954.29       
965.3099 30564.04       671.4535 370.5940 6.204252 381.2005 4.195498 -10.60651 
7.489656 
1 1 1 -1  18  4  o 82.52763 2.895810  1431.000       100.3341 0.000000       
0.000000 1431.000       100.3341 ?        ?        82.52763 2.895810 ? ? 
1 1 1 -1  18  5  o 268.9981 4.051420  15215.72       457.5467 15215.72       
457.5467 0.000000       0.000000 268.9981 4.051420 ?        ?        ? ? 
1 1 1 -1  18  6  o 91.75124 2.079574  1760.820       79.92449 1898.913       
117.8346 1643.156       108.7695 95.06773 2.952301 88.43475 2.929579 6.632973 
4.159149 
1 1 1 -1  18  7  o 436.9323 5.330499  40182.50       974.0405 38953.76       
1312.628 41688.21       1453.053 429.6084 7.277630 444.2561 7.790570 -14.64771 
10.66100 
1 1 1 -1  18  8  o 164.3313 2.510108  5662.474       172.6977 5851.478       
255.5197 5503.533       234.3181 166.8437 3.647838 161.8190 3.449034 5.024734 
5.020215 
1 1 1 -1  18  9  o 186.2968 4.331610  7074.705       208.9282 7624.192       
651.5562 7011.730       220.5759 189.9104 8.171924 182.6833 2.875942 7.227081 
8.663220 
1 1 1 -1  18  10 f 212.5677 4.071949  9399.171       293.8063 9724.861       
652.6589 9316.396       329.0311 214.6256 7.243123 210.5098 3.722937 4.115768 
8.143899 
1 1 1 -1  18  11 o 160.9452 2.634562  5399.344       162.4899 5560.632       
300.8802 5332.936       193.0648 162.5767 4.408151 159.3137 2.886498 3.263000 
5.269124 
1 1 1 -1  18  12 o 219.4490 2.614985  9809.928       188.6399 10639.29       
442.4159 9625.641       208.5476 224.8313 4.687001 214.0668 2.320476 10.76454 
5.229970 
1 1 1 -1  18  13 o 238.5918 3.721008  11893.83       352.4977 12295.54       
611.4435 11693.87       431.4028 241.4504 6.031834 235.7331 4.358965 5.717300 
7.442016 
1 1 1 -1  18  14 o 264.1155 4.480389  14739.53       472.5077 14681.70       
802.5659 14770.21       584.5568 263.4878 7.255064 264.7433 5.259237 -1.255524 
8.960777 
1 1 1 -1  18  15 o 270.2539 2.991601  15222.94       287.4653 15659.99       
597.9484 15091.57       327.8363 272.5556 5.225522 267.9522 2.914209 4.603363 
5.983201 
1 1 1 -1  18  16 o 231.8808 3.086870  11402.29       296.4599 10804.25       
451.4127 11855.86       393.1209 226.4278 4.748594 237.3339 3.945368 -10.90604 
6.173740 
1 1 1 -1  18  17 o 65.46129 2.257346  897.1573       61.51949 932.2570       
94.00865 870.8678       81.35924 66.56890 3.363702 64.35367 3.011304 2.215233 
4.514692 
1 1 1 -1  18  18 f 120.5295 2.160874  3077.878       107.1254 2939.779       
167.3068 3173.835       139.4625 118.1950 3.371596 122.8639 2.703672 -4.668892 
4.321748 
1 1 1 -1  18  19 o 17.81543 4.685376  42.44304       51.44309 -29.22979      
81.36867 90.16624       66.39643 14.76845 6.553518 20.86241 6.697940 -6.093961 
9.370752 
1 1 1 -1  18  20 o 41.32893 3.387629  354.1279       58.13967 406.4873       
90.78053 317.7175       75.70205 43.86420 4.929509 38.79367 4.648018 5.070522 
6.775259 
1 1 1 -1  18  21 o 37.05949 3.425314  289.6611       52.71411 293.5522       
80.96364 286.7978       69.45152 37.25832 5.175924 36.86067 4.487864 0.3976479 
6.850628 
1 1 1 -1  18  22 o 89.81536 2.298826  1697.871       84.79638 1699.785       
134.7232 1696.615       109.1230 89.83076 3.572221 89.79996 2.894417 
0.3079224E-01  4.597653 
1 1 1 -1  18  23 o 65.74716 2.705319  897.5034       72.89398 971.6688       
118.5029 852.3591       92.45457 67.87614 4.158463 63.61819 3.461530 4.257950 
5.410638 
1 1 1 -1  18  24 o 36.54902 3.748328  277.3672       56.78817 316.0967       
89.39066 251.1599       73.53303 38.63607 5.510871 34.46196 5.082338 4.174110 
7.496657 
1 1 1 -1  18  25 f 63.47478 2.872821  844.3875       75.15075 881.1927       
119.2796 820.1613       96.77343 64.58391 4.399091 62.36565 3.695998 2.218262 
5.745642 
1 1 1 -1  18  26 o 33.74400 4.786841  247.2685       64.59077 279.2170       
101.6425 225.6281       83.65322 35.52388 7.066007 31.96412 6.459640 3.559755 
9.573683 
1 1 1 -1  18  27 o 120.6079 2.598398  3071.412       127.3976 3083.436       
208.1174 3064.207       161.1104 120.6974 4.107067 120.5185 3.184131 0.1788635 
5.196796 
1 1 1 -1  18  28 f 76.17480 2.744250  1238.761       86.50267 1162.261       
131.6652 1296.857       114.7403 74.02551 4.236534 78.32410 3.489327 -4.298592 
5.488499 
1 1 1 -1  18  29 o 71.66444 2.828188  1052.950       81.44401 1216.399       
140.7424 970.6613       99.86282 75.61470 4.433430 67.71419 3.512734 7.900513 
5.656377 
1 1 1 -1  18  30 o 87.83478 2.714185  1661.943       96.93997 1541.882       
154.7323 1739.514       124.3744 85.04109 4.333843 90.62846 3.268794 -5.587372 
5.428371 
1 1 1 -1  18  31 o 15.84552 4.946911  -35.77701      63.40979 27.06412       
103.7564 -73.23988      80.11123 18.90710 7.878037 12.78394 5.985337 6.123158 
9.893823 
1 1 1 -1  18  32 o 58.46182 2.825358  703.5450       67.64285 863.7657       
111.7749 610.9595       84.96820 63.45177 4.195865 53.47187 3.784879 9.979900 
5.650716 
1 1 1 -1  18  33 o 26.59200 5.321217  157.1857       59.72197 201.6715       
102.4589 134.2935       73.49914 29.09303 8.096288 24.09096 6.907353 5.002069 
10.64243 
1 1 1 -1  18  34 o 54.17654 3.332627  611.0428       73.59746 769.4044       
123.5555 523.9532       91.62639 59.25122 4.966905 49.10188 4.444711 10.14934 
6.665254 
1 1 1 -1  18  35 o 25.30154 5.462632  161.0565       69.24635 60.21157       
116.4803 216.1779       86.11628 20.51384 8.428299 30.08923 6.951631 -9.575388 
10.92526 
1 1 1 -1  18  36 o 41.67622 4.731190  446.6592       69.68496 316.6173       
124.4804 506.0125       84.09727 35.26217 8.496290 48.09027 4.165294 -12.82811 
9.462379 
1 1 1 -1  18  37 o 63.11366 3.762715  897.8295       92.17583 920.3496       
165.0738 887.6265       111.1118 62.76817 6.264115 63.45916 4.170488 
-0.6909943     7.525431 
1 1 1 -1  18  38 o 21.04471 5.258676  111.0614       64.32453 9.832312       
115.1759 156.9485       77.54507 17.41651 7.757617 24.67292 7.101695 -7.256413 
10.51735 
1 1 1 -1  18  39 o 23.79063 6.163511  150.3412       75.53205 198.5412       
137.8660 129.6686       90.28819 25.53812 9.551449 22.04314 7.792645 3.494980 
12.32702 
1 1 1 -1  19  1  o 105.5853 2.050592  2353.915       90.44918 2206.014       
131.9667 2484.948       124.2140 102.4348 3.068584 108.7359 2.720937 -6.301117 
4.101183 
1 1 1 -1  19  2  f 225.1420 2.717253  10323.34       200.2610 10127.91       
221.1155 11215.23       472.3683 219.5565 2.398799 230.7275 4.876435 -11.17099 
5.434506 
1 1 1 -1  19  3  o 86.69786 1.850706  1578.515       67.34168 1525.594       
94.07635 1634.126       96.43863 85.20804 2.629789 88.18768 2.604739 -2.979637 
3.701413 
1 1 1 -1  19  4  o 51.05978 2.141720  547.9901       45.90871 553.8342       
64.84780 542.1182       65.00192 51.33312 3.008976 50.78643 3.048594 0.5466881 
4.283440 
1 1 1 -1  19  5  o 181.4367 2.248207  6885.937       165.5766 7050.074       
272.8799 6790.290       208.3054 183.1098 3.549612 179.7635 2.760070 3.346329 
4.496414 
1 1 1 -1  19  6  o 258.7338 4.707669  14092.72       511.3733 0.000000       
0.000000 14092.72       511.3733 ?        ?        258.7338 4.707669 ? ? 
1 1 1 -1  19  7  o 145.0386 2.215220  4421.403       133.6626 4421.457       
203.1860 4421.362       177.4683 145.0271 3.337072 145.0501 2.914232 
-0.2293396E-01 4.430440 
1 1 1 -1  19  8  o 180.4878 3.566017  6859.679       269.8652 6877.593       
391.9793 6843.537       372.0911 180.6972 5.166933 180.2784 4.916169 0.4188080 
7.132034 
1 1 1 -1  19  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  19  10 f 237.8562 3.316365  11454.16       227.1536 12550.89       
628.9662 11289.66       243.5947 243.9018 6.142334 231.8106 2.502970 12.09122 
6.632731 
1 1 1 -1  19  11 o 46.75349 2.637089  460.6176       50.67617 455.4401       
80.07664 464.0763       65.44959 46.52447 4.099638 46.98250 3.318118 
-0.4580345     5.274177 
1 1 1 -1  19  12 o 26.47660 4.526608  155.5376       50.00888 128.3682       
73.17257 179.3509       68.50447 24.32146 6.866085 28.63174 5.900643 -4.310287 
9.053216 
1 1 1 -1  19  13 o 378.4014 5.761006  30308.76       886.6387 30625.28       
1448.535 30119.13       1121.213 379.4984 9.091597 377.3044 7.078110 2.193970 
11.52201 
1 1 1 -1  19  14 o 149.2340 2.571515  4670.429       152.8958 4733.566       
262.1243 4637.869       188.2349 149.9437 4.163898 148.5242 3.018728 1.419449 
5.143031 
1 1 1 -1  19  15 o 145.2327 2.187378  4422.468       124.6703 4472.286       
220.1485 4398.949       151.2625 145.7879 3.596792 144.6775 2.490297 1.110352 
4.374756 
1 1 1 -1  19  16 o 188.5184 2.839664  7486.369       210.6945 7480.065       
368.8206 7489.422       256.7048 188.3521 4.664079 188.6848 3.240547 
-0.3327026     5.679329 
1 1 1 -1  19  17 o 247.8446 4.282486  12939.12       419.0589 13181.85       
732.1931 12820.88       511.0345 249.2265 6.997653 246.4626 4.938787 2.763962 
8.564973 
1 1 1 -1  19  18 o 264.7347 3.477959  14722.51       364.4070 15030.08       
634.1362 14570.87       445.2685 266.5321 5.667011 262.9372 4.033583 3.594910 
6.955918 
1 1 1 -1  19  19 o 48.58273 2.703555  492.8500       54.42086 524.5377       
85.14642 470.9653       70.76037 49.87863 4.066052 47.28682 3.564274 2.591808 
5.407109 
1 1 1 -1  19  20 o 95.16933 2.102794  1904.709       81.75045 1911.012       
131.9040 1900.778       104.1697 95.27055 3.297769 95.06809 2.609923 0.2024612 
4.205589 
1 1 1 -1  19  21 o 109.0811 2.366906  2482.463       104.3883 2589.253       
174.4031 2422.846       130.3081 110.8506 3.747462 107.3116 2.892317 3.538971 
4.733811 
1 1 1 -1  19  22 o 188.2268 3.382339  7449.208       255.4339 7598.688       
431.9302 7368.817       316.7604 189.5056 5.428909 186.9479 4.035816 2.557663 
6.764678 
1 1 1 -1  19  23 o 244.9461 4.038588  12684.62       387.8036 12782.21       
684.9893 12638.58       470.4612 245.2408 6.652915 244.6513 4.580336 0.5895081 
8.077175 
1 1 1 -1  19  24 o 44.56324 3.580787  426.1537       65.10229 392.8342       
102.8593 448.4219       84.08839 43.04291 5.691974 46.08357 4.346213 -3.040657 
7.161573 
1 1 1 -1  19  25 o 123.6953 2.756402  3195.465       138.1202 3360.412       
230.0734 3102.522       172.7039 126.0792 4.346544 121.3113 3.390953 4.767822 
5.512804 
1 1 1 -1  19  26 o 80.34395 2.397873  1320.546       77.89315 1513.836       
132.5129 1218.499       96.28384 84.65567 3.728407 76.03223 3.016315 8.623436 
4.795745 
1 1 1 -1  19  27 o 86.44756 2.688290  1530.431       94.13000 1770.259       
159.6250 1402.571       116.5514 91.40815 4.159462 81.48698 3.406830 9.921173 
5.376580 
1 1 1 -1  19  28 o 113.6531 2.800921  2692.740       128.2450 2897.553       
217.4246 2583.468       158.8129 116.7725 4.434956 110.5337 3.422252 6.238747 
5.601843 
1 1 1 -1  19  29 o 37.11710 4.586385  286.9791       68.27995 402.2148       
111.1804 217.1972       86.51795 43.17496 6.133626 31.05924 6.820436 12.11572 
9.172770 
1 1 1 -1  19  30 o 43.69821 3.794137  396.6888       67.88678 478.4129       
112.1410 349.4144       85.29089 47.05817 5.676103 40.33825 5.036243 6.719929 
7.588273 
1 1 1 -1  19  31 o 122.1823 2.450637  3168.147       119.8383 3199.700       
203.0993 3151.294       148.4308 122.4071 3.952056 121.9575 2.898921 0.4495621 
4.901274 
1 1 1 -1  19  32 o 31.81235 4.671527  235.8448       60.24214 193.2206       
94.04156 265.5086       78.45229 28.71936 7.657226 34.90534 5.353463 -6.185974 
9.343055 
1 1 1 -1  19  33 o 19.88936 5.422487  40.85587       66.02778 137.0686       
108.3715 -15.94469      83.26740 24.71860 8.556767 15.06012 6.662972 9.658473 
10.84497 
1 1 1 -1  19  34 o 123.4072 3.005344  3229.475       146.3276 3527.424       
259.5679 3090.679       177.1615 126.8507 4.873928 119.9636 3.517556 6.887115 
6.010688 
1 1 1 -1  19  35 o 25.87812 5.688659  150.1936       67.83313 228.1769       
111.8584 104.8354       85.30914 30.13766 8.483203 21.61858 7.581467 8.519081 
11.37732 
1 1 1 -1  19  36 o 72.33566 3.131840  1081.527       87.28040 1339.167       
165.7201 982.6289       102.6747 77.36714 5.101991 67.30417 3.633644 10.06297 
6.263679 
1 1 1 -1  19  37 o 63.08891 3.506672  878.6512       85.83868 946.9442       
155.9358 848.9599       102.8190 64.01260 5.802319 62.16521 3.939555 1.847382 
7.013344 
1 1 1 -1  19  38 o 56.64758 3.296167  665.4681       71.56091 900.1690       
138.9248 580.7029       83.48928 62.17169 5.322407 51.12346 3.889838 11.04823 
6.592333 
1 1 1 -1  20  1  f 107.3825 2.151800  2411.453       95.83615 2511.363       
148.7814 2340.600       125.2913 109.2587 3.243499 105.5063 2.828548 3.752403 
4.303600 
1 1 1 -1  20  2  o 102.8721 1.885604  2186.563       79.24628 2385.193       
130.1613 2069.570       99.89451 106.5074 2.910873 99.23683 2.397672 7.270554 
3.771209 
1 1 1 -1  20  3  o 89.84537 1.902036  1681.955       71.16950 1809.267       
109.1648 1587.843       93.85822 92.77145 2.802783 86.91928 2.572037 5.852165 
3.804073 
1 1 1 -1  20  4  o 106.3353 1.937418  2376.330       86.48400 2402.063       
123.3877 2351.479       121.2539 106.9007 2.749239 105.7700 2.730576 1.130653 
3.874837 
1 1 1 -1  20  5  o 271.5305 3.690619  15332.64       414.3547 14388.85       
534.5405 16753.49       655.8692 261.2868 4.872863 281.7742 5.544177 -20.48743 
7.381239 
1 1 1 -1  20  6  o 270.1274 2.685666  14971.97       254.0263 14673.25       
287.0575 16050.51       545.4479 264.2408 2.587557 276.0140 4.706990 -11.77316 
5.371332 
1 1 1 -1  20  7  o 116.4171 2.616096  2850.603       126.1936 2855.698       
194.9183 2846.925       165.5790 116.4860 3.985660 116.3482 3.389742 0.1377411 
5.232192 
1 1 1 -1  20  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  20  9  o 161.0050 3.651159  5439.101       240.7751 5583.551       
387.7874 5348.477       307.1525 162.6631 5.678398 159.3469 4.591257 3.316223 
7.302318 
1 1 1 -1  20  10 o 60.87230 2.309674  774.0534       58.68395 825.4577       
88.89134 734.3423       78.12955 62.64790 3.379668 59.09670 3.149004 3.551201 
4.619349 
1 1 1 -1  20  11 o 132.6965 2.301517  3626.777       116.6886 3886.856       
219.1940 3523.922       137.8447 135.9000 3.841762 129.4931 2.535506 6.406860 
4.603034 
1 1 1 -1  20  12 o 366.1160 5.692178  28380.92       775.5775 28656.98       
1497.234 28279.68       906.7089 366.3463 9.734621 365.8857 5.902602 0.4606018 
11.38436 
1 1 1 -1  20  13 o 108.9758 2.015334  2503.763       91.94405 2360.495       
132.4741 2636.918       127.7135 105.9518 2.978130 111.9998 2.716069 -6.047951 
4.030669 
1 1 1 -1  20  14 o 248.6512 3.777510  12938.54       357.8037 13331.55       
668.9994 12781.08       423.4578 250.9740 6.349186 246.3283 4.094651 4.645691 
7.555020 
1 1 1 -1  20  15 o 91.26526 2.096588  1739.932       78.70941 1810.261       
125.5910 1694.442       101.0065 92.75754 3.225005 89.77299 2.679938 2.984550 
4.193176 
1 1 1 -1  20  16 o 113.3968 2.233578  2709.162       104.3541 2687.474       
163.8389 2723.966       135.3630 112.9882 3.453861 113.8053 2.833078 
-0.8171463     4.467156 
1 1 1 -1  20  17 o 125.9517 2.547597  3345.965       129.6660 3323.042       
214.3651 3359.192       162.8329 125.5542 4.066717 126.3493 3.069661 
-0.7950821     5.095194 
1 1 1 -1  20  18 o 93.26361 2.418746  1800.618       91.01944 1942.038       
153.8987 1724.541       112.8769 95.99618 3.818582 90.53104 2.969809 5.465141 
4.837492 
1 1 1 -1  20  19 f 176.5565 2.856720  6617.106       206.2203 6372.146       
328.3075 6776.738       265.0281 173.7443 4.500816 179.3687 3.519382 -5.624390 
5.713440 
1 1 1 -1  20  20 o 49.34241 3.218039  547.1121       62.37080 356.8868       
93.59048 699.0916       83.65469 41.06915 5.427966 57.61567 3.458364 -16.54652 
6.436078 
1 1 1 -1  20  21 o 156.0173 2.173010  4999.392       129.5421 5419.871       
243.9275 4834.218       152.8829 160.3991 3.622262 151.6355 2.401481 8.763657 
4.346020 
1 1 1 -1  20  22 o 136.3807 2.059981  3890.303       111.5161 3985.084       
193.1479 3842.910       136.5800 137.5681 3.344206 135.1933 2.406318 2.374847 
4.119961 
1 1 1 -1  20  23 o 141.5926 1.973672  4228.590       114.8019 4168.687       
181.5442 4268.507       148.1941 140.7197 3.072901 142.4656 2.477662 -1.745941 
3.947345 
1 1 1 -1  20  24 o 164.5648 2.316740  5672.716       151.0795 5808.664       
262.5012 5605.380       184.7446 165.9298 3.768147 163.1998 2.696331 2.729980 
4.633480 
1 1 1 -1  20  25 o 182.3016 2.728473  7015.852       201.7681 7037.947       
331.3105 7002.828       254.3819 182.3826 4.326861 182.2207 3.325137 0.1618805 
5.456946 
1 1 1 -1  20  26 o 143.0961 2.197687  4340.510       127.2493 4238.405       
208.7646 4400.872       160.5144 141.6549 3.510319 144.5373 2.645179 -2.882446 
4.395373 
1 1 1 -1  20  27 o 93.72874 2.474376  1846.760       96.07661 1920.772       
149.7446 1794.976       125.2569 95.26771 3.743920 92.18977 3.236233 3.077942 
4.948752 
1 1 1 -1  20  28 o 104.3366 2.614763  2285.597       109.1201 2375.039       
186.5247 2239.059       134.5465 105.7343 4.201860 102.9390 3.113248 2.795296 
5.229526 
1 1 1 -1  20  29 f 60.45930 2.964646  796.3720       71.88349 711.6777       
117.1347 847.5377       91.04327 57.67937 4.837112 63.23923 3.429117 -5.559856 
5.929292 
1 1 1 -1  20  30 o 59.42542 3.191428  743.7280       76.96741 804.6863       
128.2991 709.4557       96.20081 61.16390 4.996311 57.68693 3.972120 3.476974 
6.382857 
1 1 1 -1  20  31 o 25.77503 4.788269  92.73223       64.45320 319.2386       
107.7648 -33.41758      80.42296 37.35543 7.126977 14.19463 6.396581 23.16080 
9.576537 
1 1 1 -1  20  32 o 50.27649 3.493798  533.7114       71.91881 618.4461       
118.3679 484.1253       90.54897 53.22461 5.297154 47.32836 4.557043 5.896248 
6.987595 
1 1 1 -1  20  33 o 79.35536 2.525160  1336.157       81.05489 1402.835       
135.3060 1298.836       101.2284 80.67415 3.994881 78.03658 3.089765 2.637573 
5.050319 
1 1 1 -1  20  34 o 35.28303 4.505627  265.3334       63.37420 389.2624       
106.9243 198.2218       78.68443 41.55804 6.128336 29.00802 6.606526 12.55002 
9.011253 
1 1 1 -1  20  35 o 61.27180 3.117041  784.8741       78.11792 1005.795       
129.5789 658.7404       97.91087 67.63873 4.563102 54.90488 4.247574 12.73384 
6.234083 
1 1 1 -1  20  36 o 17.66386 5.383906  17.91187       69.33902 48.25496       
117.6937 1.780955       85.81297 19.67063 8.303184 15.65710 6.855869 4.013527 
10.76781 
1 1 1 -1  20  37 o 36.66879 5.371423  315.5309       75.41967 425.7746       
136.5990 267.1867       90.45712 40.39415 8.339144 32.94342 6.772549 7.450733 
10.74285 
1 1 1 -1  20  38 o 22.80719 5.947289  134.3487       70.28635 149.7404       
134.0251 128.5098       82.54846 23.45083 9.251480 22.16356 7.476036 1.287273 
11.89458 
1 1 1 -1  21  1  o 40.72135 2.652315  350.2173       44.66811 344.1205       
69.09585 354.5948       58.54712 40.40306 4.073415 41.03963 3.397998 
-0.6365700     5.304630 
1 1 1 -1  21  2  o 82.37420 1.842081  1425.256       63.33302 1413.230       
84.91968 1440.329       95.07021 81.99006 2.466995 82.75834 2.736237 
-0.7682800     3.684163 
1 1 1 -1  21  3  o 57.20099 2.209172  683.3568       52.78673 737.5609       
79.66150 640.9250       70.48193 59.20507 3.204871 55.19691 3.041474 4.008163 
4.418344 
1 1 1 -1  21  4  o 248.6705 2.593427  12723.27       218.2660 12525.13       
243.7845 13523.86       490.0264 244.1153 2.378659 253.2256 4.609278 -9.110321 
5.186854 
1 1 1 -1  21  5  o 119.3488 1.998987  2984.115       99.91074 2846.996       
135.5601 3147.168       147.8256 116.3623 2.774858 122.3353 2.878186 -5.973000 
3.997974 
1 1 1 -1  21  6  o 174.6286 3.595074  6456.408       241.4576 6384.088       
439.6053 6487.651       288.9453 173.7372 6.026862 175.5201 3.921118 -1.782928 
7.190148 
1 1 1 -1  21  7  o 90.88265 3.627001  1710.721       116.3107 1803.580       
245.9262 1683.966       132.0078 92.31257 6.345488 89.45274 3.515015 2.859833 
7.254002 
1 1 1 -1  21  8  o 86.45076 3.499862  1557.690       125.8863 1294.602       
168.9071 1886.438       188.8116 78.32142 5.136749 94.58011 4.754993 -16.25869 
6.999725 
1 1 1 -1  21  9  o 115.2531 2.593678  2796.498       125.1864 2790.025       
183.5416 2802.129       171.1841 115.1170 3.797661 115.3892 3.533616 
-0.2722321     5.187357 
1 1 1 -1  21  10 o 120.5224 4.159132  3060.148       210.4502 3060.148       
210.4502 0.000000       0.000000 120.5224 4.159132 ?        ?        ? ? 
1 1 1 -1  21  11 o 139.1290 3.277662  4074.551       190.1553 4144.860       
287.1688 4019.649       253.7599 140.1614 4.880112 138.0965 4.376846 2.064896 
6.555324 
1 1 1 -1  21  12 o 66.54039 2.233963  920.6803       61.80497 1007.006       
95.70704 858.9290       80.94635 69.17838 3.295297 63.90240 3.017180 5.275978 
4.467926 
1 1 1 -1  21  13 o 252.7364 2.646623  13287.53       224.1158 13726.94       
506.4398 13180.52       249.9193 255.0591 4.729423 250.4136 2.377185 4.645493 
5.293245 
1 1 1 -1  21  14 o 60.20933 2.473641  753.8362       61.55179 814.9507       
97.44289 713.2615       79.39738 62.20247 3.731329 58.21618 3.248505 3.986294 
4.947282 
1 1 1 -1  21  15 o 97.99237 2.134509  2029.707       86.94527 1949.158       
131.1103 2092.934       116.1609 96.23135 3.245198 99.75340 2.773661 -3.522049 
4.269017 
1 1 1 -1  21  16 o 176.6638 2.718756  6530.118       193.8769 6748.002       
324.4507 6409.109       241.7935 178.8481 4.321012 174.4794 3.300818 4.368698 
5.437513 
1 1 1 -1  21  17 o 65.76293 2.449421  905.4319       66.34556 938.1679       
105.3477 883.9135       85.41147 66.72297 3.760716 64.80289 3.139372 1.920074 
4.898841 
1 1 1 -1  21  18 o 192.4804 2.809596  7852.693       216.5360 7669.705       
363.8206 7953.069       269.4581 190.6064 4.546435 194.3545 3.302310 -3.748077 
5.619192 
1 1 1 -1  21  19 o 23.41932 4.969658  103.8405       54.87125 181.4666       
86.75486 52.08139       70.84077 28.64542 7.212988 18.19320 6.838335 10.45222 
9.939317 
1 1 1 -1  21  20 o 63.37325 2.646499  862.8317       68.49309 764.5770       
106.5610 932.0015       89.40862 60.20655 4.215757 66.53995 3.200501 -6.333401 
5.292997 
1 1 1 -1  21  21 o 111.5236 2.622204  2605.969       119.4646 2684.945       
193.9491 2557.686       151.6475 112.8306 4.094322 110.2167 3.277246 2.613892 
5.244408 
1 1 1 -1  21  22 o 185.2703 3.308437  7286.928       246.8234 7131.046       
409.6742 7375.756       309.2527 183.5306 5.316811 187.0101 3.938851 -3.479462 
6.616874 
1 1 1 -1  21  23 o 163.2599 2.870466  5481.160       183.6724 6032.150       
331.3459 5236.756       220.6800 168.8781 4.673363 157.6417 3.334363 11.23636 
5.740932 
1 1 1 -1  21  24 o 166.6501 3.103809  5900.060       210.4145 5775.650       
340.8836 5976.640       267.4451 165.0582 4.919149 168.2420 3.786355 -3.183762 
6.207617 
1 1 1 -1  21  25 o 162.0576 3.208513  5418.629       201.5460 5956.818       
370.9042 5193.132       240.0844 167.3319 5.279636 156.7832 3.647417 10.54875 
6.417025 
1 1 1 -1  21  26 o 100.8522 2.199528  2156.430       92.30782 1816.961       
129.8313 2503.446       131.2665 92.74857 3.334212 108.9558 2.869621 -16.20724 
4.399055 
1 1 1 -1  21  27 o 101.0506 2.462872  2158.462       102.2900 2168.639       
162.2501 2151.748       131.7776 101.1690 3.819956 100.9321 3.109806 0.2369232 
4.925744 
1 1 1 -1  21  28 o 20.72909 4.947655  67.65353       52.46439 149.6531       
87.82673 22.15787       65.41929 25.87686 7.593554 15.58132 6.344691 10.29554 
9.895310 
1 1 1 -1  21  29 o 50.25144 3.360095  525.2507       68.94734 607.7094       
114.3769 478.1840       86.41251 53.17786 5.123050 47.32502 4.349175 5.852840 
6.720191 
1 1 1 -1  21  30 o 62.50032 3.065762  838.2272       77.27728 831.3419       
128.0970 842.1669       96.89506 62.12061 4.911616 62.88004 3.670370 
-0.7594376     6.131524 
1 1 1 -1  21  31 o 30.80864 5.177044  228.0041       66.55429 167.4603       
109.8817 263.0852       83.64240 26.94926 8.612932 34.66803 5.746698 -7.718763 
10.35409 
1 1 1 -1  21  32 o 62.38681 3.152314  835.4999       79.53585 866.0374       
132.3457 818.2354       99.51045 63.03403 5.000988 61.73958 3.839071 1.294456 
6.304628 
1 1 1 -1  21  33 o 78.29214 2.795186  1336.549       89.58631 1253.580       
140.7457 1393.058       116.1548 75.96581 4.413041 80.61847 3.431813 -4.652657 
5.590373 
1 1 1 -1  21  34 o 93.50208 2.702166  1852.500       99.58620 2003.183       
176.6482 1782.299       120.5728 95.79194 4.392395 91.21220 3.148600 4.579735 
5.404333 
1 1 1 -1  21  35 f 24.59423 5.810130  145.8590       69.03483 152.4340       
113.0890 141.9534       87.15889 25.01984 8.733323 24.16861 7.665475 0.8512249 
11.62026 
1 1 1 -1  21  36 o 38.56606 4.774135  355.7001       72.61482 352.5959       
118.5615 357.5635       91.85968 37.49617 7.790802 39.63595 5.520224 -2.139778 
9.548270 
1 1 1 -1  21  37 o 49.56873 3.851355  557.5325       77.17394 607.3331       
129.4493 530.0726       96.12409 50.69333 6.082331 48.44412 4.726202 2.249210 
7.702710 
1 1 1 -1  21  38 o 28.40803 5.421190  183.4659       69.48669 380.8732       
120.8292 85.91888       84.93709 37.57410 7.908545 19.24195 7.417016 18.33215 
10.84238 
1 1 1 -1  22  1  o 156.1703 2.303428  5144.989       149.9211 5224.496       
201.1215 5045.563       224.9080 157.5601 3.040417 154.7804 3.461066 2.779678 
4.606856 
1 1 1 -1  22  2  o 109.4669 2.351906  2536.322       107.5070 2338.693       
156.1578 2714.388       148.2276 105.3710 3.529912 113.5629 3.108951 -8.191910 
4.703813 
1 1 1 -1  22  3  o 28.47510 3.586636  178.5609       41.09825 214.4884       
56.53830 138.3064       59.84607 31.88846 4.223089 25.06174 5.798393 6.826723 
7.173273 
1 1 1 -1  22  4  o 112.6773 1.986000  2628.323       90.19009 2525.906       
111.7537 2819.630       152.7372 109.6089 2.428495 115.7457 3.143119 -6.136864 
3.972000 
1 1 1 -1  22  5  o 183.0091 2.962957  6922.891       201.3186 7362.719       
395.5027 6769.078       233.8861 186.6688 5.046600 179.3495 3.106171 7.319305 
5.925915 
1 1 1 -1  22  6  o 146.6439 3.321270  4521.656       203.8425 4755.418       
302.9962 4328.377       275.5133 150.0731 4.809008 143.2146 4.582223 6.858444 
6.642539 
1 1 1 -1  22  7  o 245.2608 12.07574  13087.44       1243.428 13087.44       
1243.428 0.000000       0.000000 245.2608 12.07574 ?        ?        ? ? 
1 1 1 -1  22  8  o 76.02563 2.552439  1212.950       80.47124 1244.110       
124.6014 1190.653       105.4003 76.84258 3.862266 75.20869 3.338067 1.633888 
5.104879 
1 1 1 -1  22  9  o 215.7436 4.299822  9881.176       387.2206 9654.488       
575.6812 10068.48       523.2861 213.3641 6.426607 218.1230 5.714244 -4.758865 
8.599644 
1 1 1 -1  22  10 o 146.4500 3.466578  4494.162       199.7581 4630.248       
352.3931 4429.729       242.4799 147.9220 5.674345 144.9780 3.983773 2.943954 
6.933156 
1 1 1 -1  22  11 o 277.4610 7.993988  16423.04       931.2029 0.000000       
0.000000 16423.04       931.2029 ?        ?        277.4610 7.993988 ? ? 
1 1 1 -1  22  12 o 107.4677 3.292124  2470.936       144.3992 2593.614       
186.4505 2287.076       228.2564 110.9241 4.003673 104.0113 5.227135 6.912865 
6.584249 
1 1 1 -1  22  13 o 84.92310 2.360445  1508.786       83.79330 1420.808       
112.3104 1619.245       125.8443 82.15457 3.256188 87.69162 3.418193 -5.537048 
4.720890 
1 1 1 -1  22  14 o 45.60606 2.991148  431.6683       55.98600 471.3642       
90.77015 407.2943       71.12686 47.25232 4.575526 43.95982 3.853886 3.292500 
5.982297 
1 1 1 -1  22  15 o 101.6049 2.096610  2124.202       86.79239 2367.088       
144.1335 1986.028       108.7119 106.0371 3.237637 97.17281 2.664732 8.864288 
4.193220 
1 1 1 -1  22  16 o 60.93272 2.511313  803.8136       62.39009 612.9005       
91.21524 971.6512       85.52519 53.91444 4.029799 67.95101 2.997914 -14.03657 
5.022626 
1 1 1 -1  22  17 o 55.98642 2.630198  662.5403       60.81688 648.4612       
94.40775 672.5273       79.51347 55.45675 4.054846 56.51610 3.351117 -1.059353 
5.260396 
1 1 1 -1  22  18 o 86.38120 2.194580  1580.261       77.85329 1521.201       
122.4146 1620.374       100.8848 84.99261 3.430624 87.76979 2.737799 -2.777176 
4.389159 
1 1 1 -1  22  19 o 74.61233 2.339349  1166.414       71.30714 1196.560       
115.6417 1147.920       90.57633 75.36187 3.654972 73.86279 2.920856 1.499084 
4.678699 
1 1 1 -1  22  20 f 108.9223 2.378197  2478.904       105.3872 2576.798       
173.2825 2421.440       132.7633 110.5750 3.732662 107.2695 2.947968 3.305481 
4.756394 
1 1 1 -1  22  21 o 102.8693 2.271278  2243.145       95.29585 2164.521       
152.8080 2293.184       121.9055 101.3437 3.591456 104.3948 2.781414 -3.051140 
4.542556 
1 1 1 -1  22  22 o 105.0763 2.368282  2339.419       101.6271 2271.086       
162.6747 2383.160       130.1504 103.7611 3.734278 106.3916 2.913795 -2.630554 
4.736564 
1 1 1 -1  22  23 o 111.7612 2.283756  2629.271       103.3754 2647.746       
170.5665 2618.546       129.9648 112.0093 3.627111 111.5130 2.776011 0.4962769 
4.567512 
1 1 1 -1  22  24 o 88.49847 2.231144  1635.312       81.84291 1752.244       
128.0049 1554.457       106.4420 91.12167 3.346001 85.87527 2.952338 5.246391 
4.462289 
1 1 1 -1  22  25 o 44.90528 3.739969  440.5328       68.05112 381.7083       
107.0793 480.3884       88.13955 42.22450 6.040350 47.58606 4.411762 -5.361561 
7.479939 
1 1 1 -1  22  26 o 56.10841 2.782642  652.4225       64.37071 744.2371       
103.4621 594.4355       82.22249 59.22629 4.160906 52.99052 3.695843 6.235775 
5.565285 
1 1 1 -1  22  27 o 64.22437 3.004115  861.0935       77.44061 931.1171       
132.4969 824.7619       95.43904 66.06300 4.777144 62.38573 3.643862 3.677269 
6.008231 
1 1 1 -1  22  28 o 16.63387 4.925213  2.178321       62.33026 -102.5224      
106.1779 57.23117       76.99268 14.54184 6.823056 18.72589 7.104702 -4.184046 
9.850426 
1 1 1 -1  22  29 f 65.14658 2.894615  871.4340       76.97385 1055.063       
128.4363 768.5101       96.15566 70.22581 4.356242 60.06735 3.812918 10.15845 
5.789230 
1 1 1 -1  22  30 o 35.29050 4.360249  286.9293       60.38314 238.9546       
95.80202 318.5499       77.77733 32.15839 7.266338 38.42260 4.821557 -6.264217 
8.720498 
1 1 1 -1  22  31 o 56.37020 2.997453  644.6377       68.18700 832.2147       
118.0475 550.7160       83.53144 62.06989 4.529988 50.67051 3.926591 11.39937 
5.994907 
1 1 1 -1  22  32 o 47.96305 3.689831  481.3541       71.89639 599.6977       
121.8756 418.1888       89.03971 52.13199 5.568438 43.79410 4.842718 8.337891 
7.379663 
1 1 1 -1  22  33 o 32.96892 5.316493  243.1468       69.86375 340.3535       
118.9273 191.9245       86.33031 37.61158 7.793809 28.32626 7.233043 9.285326 
10.63299 
1 1 1 -1  22  34 o 75.44630 2.776083  1218.711       84.49520 1295.690       
142.2001 1176.698       105.0520 76.94573 4.401862 73.94688 3.383807 2.998856 
5.552165 
1 1 1 -1  22  35 o 80.42987 2.375576  1370.707       77.28589 1493.352       
129.9867 1303.642       96.12128 82.89823 3.734864 77.96150 2.936706 4.936729 
4.751153 
1 1 1 -1  22  36 o 67.61510 3.135865  977.7340       84.97493 1144.171       
147.7405 895.4557       103.8764 71.31358 4.934561 63.91663 3.871008 7.396942 
6.271730 
1 1 1 -1  22  37 o 18.39933 5.532626  46.90184       71.87743 66.04449       
121.3851 36.56552       89.19649 19.79356 8.397503 17.00511 7.205674 2.788452 
11.06525 
1 1 1 -1  22  38 o 31.16726 7.080493  333.6102       108.6023 245.6898       
236.4639 357.1133       122.2595 26.47729 11.48652 35.85722 8.282121 -9.379929 
14.16099 
1 1 1 -1  23  1  f 122.8158 2.118160  3131.034       106.9514 2974.507       
136.4784 3380.132       172.1688 118.9170 2.733639 126.7147 3.236298 -7.797729 
4.236320 
1 1 1 -1  23  2  o 41.61901 2.836936  366.1162       48.40528 360.7860       
76.97502 369.6028       62.25507 41.34790 4.434221 41.89011 3.539845 
-0.5422096     5.673872 
1 1 1 -1  23  3  o 263.8132 2.774729  14459.78       297.8345 13856.48       
373.8147 15508.45       492.8447 256.5055 3.471210 271.1210 4.329802 -14.61551 
5.549458 
1 1 1 -1  23  4  o 117.0605 1.942014  2860.703       93.98679 2763.643       
121.7625 3003.776       147.8336 114.6406 2.529857 119.4804 2.947117 -4.839775 
3.884028 
1 1 1 -1  23  5  f 235.5904 4.949627  11808.15       489.4232 11789.43       
700.2330 11826.04       684.3386 235.3690 7.086217 235.8118 6.912363 
-0.4428711     9.899254 
1 1 1 -1  23  6  o 136.0761 5.154042  3915.413       294.4482 0.000000       
0.000000 3915.413       294.4482 ?        ?        136.0761 5.154042 ? ? 
1 1 1 -1  23  7  o 346.4830 7.059762  25847.22       1020.160 26281.61       
1538.369 25506.26       1362.953 348.5746 10.51201 344.3913 9.426485 4.183350 
14.11952 
1 1 1 -1  23  8  o 82.61029 2.521806  1439.665       86.55566 1422.805       
131.8560 1452.431       114.7379 82.16325 3.822463 83.05732 3.290410 
-0.8940659     5.043612 
1 1 1 -1  23  9  o 82.43933 2.566940  1414.208       87.88834 1548.428       
136.7757 1319.812       114.7031 85.71573 3.800752 79.16293 3.451233 6.552795 
5.133881 
1 1 1 -1  23  10 o 146.2231 3.234797  4480.833       192.1142 4644.497       
316.9531 4385.784       241.5417 148.2179 5.093489 144.2284 3.988985 3.989517 
6.469593 
1 1 1 -1  23  11 o 25.72987 5.216775  143.8831       59.73154 118.8789       
84.16989 169.2510       84.77972 23.77422 7.532127 27.68552 7.219837 -3.911297 
10.43355 
1 1 1 -1  23  12 o 15.51978 4.848703  -28.00541      62.40103 -50.73920      
91.10078 -7.911538      85.64815 14.91822 6.760649 16.12134 6.952218 -1.203126 
9.697407 
1 1 1 -1  23  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  23  14 o 38.26788 4.812551  314.1589       75.47741 354.7901       
111.4464 279.7318       102.5856 40.87839 6.493719 35.65736 7.104518 5.221035 
9.625101 
1 1 1 -1  23  15 o 206.3104 2.657136  9008.201       228.8743 8516.627       
336.2175 9432.713       312.4430 200.9936 3.984365 211.6271 3.516580 -10.63350 
5.314273 
1 1 1 -1  23  16 o 116.8401 2.256698  2844.871       103.4746 2954.122       
183.8717 2794.237       125.1773 118.4104 3.698674 115.2698 2.586611 3.140610 
4.513396 
1 1 1 -1  23  17 o 155.4507 2.595984  5125.391       159.7556 4987.612       
274.5823 5195.896       196.4234 153.7633 4.253445 157.1380 2.977371 -3.374680 
5.191968 
1 1 1 -1  23  18 o 35.25769 4.103048  270.2932       57.74677 254.3584       
90.89505 281.0777       74.77681 34.04490 6.594676 36.47048 4.883672 -2.425587 
8.206096 
1 1 1 -1  23  19 o 227.2003 3.562835  10872.47       308.0499 11023.52       
574.5284 10811.52       364.9427 227.9486 6.003378 226.4520 3.838572 1.496582 
7.125671 
1 1 1 -1  23  20 o 76.67195 2.374181  1219.984       74.68700 1323.444       
121.0589 1156.406       94.90039 79.23296 3.639250 74.11094 3.050049 5.122017 
4.748362 
1 1 1 -1  23  21 o 123.5981 2.267877  3243.437       116.7411 2847.611       
168.0526 3612.590       162.2916 116.2190 3.444206 130.9771 2.951358 -14.75803 
4.535754 
1 1 1 -1  23  22 o 203.6750 2.396974  8708.743       189.7282 8858.756       
341.5435 8641.791       228.1717 204.7561 3.973107 202.5940 2.682602 2.162064 
4.793947 
1 1 1 -1  23  23 o 165.2526 2.745892  5758.717       183.7422 5831.635       
303.6792 5716.607       230.7784 165.9213 4.359472 164.5838 3.339865 1.337509 
5.491785 
1 1 1 -1  23  24 f 85.61742 2.468596  1547.277       87.86515 1561.014       
134.2193 1536.974       116.2326 85.91124 3.721227 85.32360 3.244741 0.5876389 
4.937193 
1 1 1 -1  23  25 o 111.7389 2.490081  2634.211       114.0030 2671.008       
182.8595 2610.814       145.8089 112.2860 3.878940 111.1918 3.123434 1.094208 
4.980163 
1 1 1 -1  23  26 o 43.65256 3.330673  410.5772       59.21951 386.8958       
94.53881 425.8700       75.97132 42.51756 5.296181 44.78756 4.040297 -2.270004 
6.661346 
1 1 1 -1  23  27 o 52.65506 3.286648  590.1479       70.01659 600.0054       
115.9719 584.4941       87.82999 52.88048 5.223705 52.42965 3.990129 0.4508324 
6.573297 
1 1 1 -1  23  28 o 56.39674 2.979355  688.1393       69.46728 609.5997       
103.7668 751.9256       93.51427 53.34243 4.633474 59.45105 3.746619 -6.108616 
5.958711 
1 1 1 -1  23  29 o 83.07030 2.704622  1480.684       89.53336 1446.179       
151.7520 1499.109       110.8903 82.10349 4.402443 84.03711 3.142994 -1.933624 
5.409244 
1 1 1 -1  23  30 o 72.29838 2.655994  1107.061       76.74869 1152.960       
131.3595 1083.272       94.56895 73.23013 4.272606 71.36662 3.156273 1.863510 
5.311988 
1 1 1 -1  23  31 o 33.55294 5.085933  275.4509       68.14034 204.4445       
113.4307 315.5425       85.23317 29.16722 8.650548 37.93865 5.351158 -8.771433 
10.17187 
1 1 1 -1  23  32 o 78.41278 2.585460  1302.411       82.10847 1393.814       
137.2080 1251.417       102.4844 80.30683 4.069565 76.51873 3.190151 3.788101 
5.170921 
1 1 1 -1  23  33 o 22.75469 5.710757  113.1126       66.60773 129.7907       
110.6999 103.6479       83.39256 23.94565 8.612142 21.56372 7.502132 2.381926 
11.42151 
1 1 1 -1  23  34 o 18.79330 5.444685  44.83068       65.90874 79.57407       
110.8404 25.82650       81.97591 20.98333 8.370451 16.60328 6.965196 4.380041 
10.88937 
1 1 1 -1  23  35 o 18.31324 4.851801  23.76609       67.22610 -197.7402      
113.6880 142.8608       83.36195 12.56442 6.189123 24.06205 7.473598 -11.49763 
9.703603 
1 1 1 -1  23  36 o 27.90623 5.363033  200.0790       63.82269 200.9579       
100.2753 199.4806       82.74716 27.62840 8.115909 28.18407 7.012881 
-0.5556698     10.72607 
1 1 1 -1  23  37 o 47.07540 4.023016  502.5409       77.40804 635.5953       
128.7927 427.2959       96.85354 51.47179 5.959954 42.67902 5.405330 8.792770 
8.046033 
1 1 1 -1  24  1  o 151.1120 2.415898  4796.369       152.5739 4671.469       
205.0547 4951.282       228.3671 148.9354 3.279389 153.2886 3.548500 -4.353210 
4.831795 
1 1 1 -1  24  2  o 28.06951 3.860355  182.4635       45.88453 53.64988       
65.20726 308.8044       64.57835 17.87342 6.591733 38.26561 4.019753 -20.39219 
7.720709 
1 1 1 -1  24  3  o 150.7571 2.304662  4742.686       145.0975 4387.170       
193.4098 5200.354       219.4448 144.3614 3.191159 157.1528 3.326015 -12.79143 
4.609324 
1 1 1 -1  24  4  o 89.89268 2.526029  1702.559       92.55300 1700.750       
150.0337 1703.671       117.5939 89.81646 3.978817 89.96891 3.113246 
-0.1524506     5.052058 
1 1 1 -1  24  5  o 79.81548 3.462382  1362.651       98.31213 1314.349       
200.8909 1377.862       112.7342 78.73441 6.077384 80.89654 3.319302 -2.162132 
6.924765 
1 1 1 -1  24  6  o 155.6825 3.773126  5118.331       244.5721 5061.356       
324.7946 5192.940       371.6820 154.7562 4.998984 156.6087 5.652970 -1.852463 
7.546252 
1 1 1 -1  24  7  o 103.3128 2.722990  2249.955       118.0058 2130.934       
166.0859 2371.296       167.6965 100.5441 3.934573 106.0816 3.765347 -5.537575 
5.445980 
1 1 1 -1  24  8  o 58.11169 3.042381  718.7387       73.54838 628.0754       
106.2996 802.0004       101.8681 54.54119 4.642245 61.68217 3.933685 -7.140980 
6.084761 
1 1 1 -1  24  9  o 53.00286 3.108436  594.5320       68.36452 580.9113       
104.3301 604.7816       90.50184 52.44709 4.738157 53.55863 4.024843 -1.111538 
6.216872 
1 1 1 -1  24  10 o 79.34518 2.529258  1297.267       82.58197 1468.325       
133.4942 1191.223       105.1074 83.47177 3.809289 75.21861 3.328350 8.253166 
5.058517 
1 1 1 -1  24  11 o 77.30667 2.730507  1263.310       88.05610 1091.705       
123.7428 1439.353       125.3327 71.95295 4.096306 82.66039 3.611502 -10.70744 
5.461014 
1 1 1 -1  24  12 o 149.2709 3.724835  4731.423       232.1948 4488.609       
340.9895 4941.354       317.0607 145.6183 5.577583 152.9234 4.938436 -7.305099 
7.449669 
1 1 1 -1  24  13 o 53.10699 3.250066  599.5365       71.92304 550.1863       
105.4785 642.4214       98.32674 51.02805 4.923525 55.18594 4.243892 -4.157898 
6.500132 
1 1 1 -1  24  14 o 73.25490 2.862689  1120.030       87.55223 1293.968       
131.0837 979.9414       117.6396 78.34251 3.985404 68.16728 4.110537 10.17523 
5.725378 
1 1 1 -1  24  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  24  16 o 191.8281 3.939444  7851.353       312.9286 7399.118       
475.8037 8196.074       415.4137 186.7670 6.068046 196.8893 5.025506 -10.12231 
7.878889 
1 1 1 -1  24  17 o 157.3091 3.059038  5166.688       190.7935 5395.887       
332.6297 5054.305       232.9188 159.7439 4.959728 154.8742 3.582172 4.869659 
6.118077 
1 1 1 -1  24  18 o 143.7189 2.781996  4334.509       159.1370 4428.291       
273.8536 4286.695       195.5408 144.7772 4.505462 142.6606 3.264784 2.116608 
5.563992 
1 1 1 -1  24  19 o 97.31138 2.389969  2006.850       95.11864 1945.387       
151.5944 2046.760       122.1579 96.02955 3.760099 98.59321 2.951180 -2.563660 
4.779938 
1 1 1 -1  24  20 o 186.8801 3.050756  7353.558       217.6888 7459.521       
403.7853 7310.140       258.4676 187.5464 5.128177 186.2138 3.306094 1.332535 
6.101513 
1 1 1 -1  24  21 o 117.7523 2.140931  2894.920       102.7545 3035.163       
168.4608 2811.827       129.6699 119.9497 3.345189 115.5548 2.672836 4.394966 
4.281862 
1 1 1 -1  24  22 o 41.93430 3.721986  371.5190       65.02102 395.2296       
99.43158 353.8049       85.94327 43.06875 5.498992 40.79985 5.017350 2.268906 
7.443972 
1 1 1 -1  24  23 o 192.3585 2.866358  7838.790       221.9500 7834.852       
370.6031 7840.992       277.1490 192.0735 4.595818 192.6435 3.426731 
-0.5700836     5.732716 
1 1 1 -1  24  24 o 174.3893 2.633542  6497.821       186.3078 6199.044       
301.7330 6681.922       236.8511 170.9165 4.204941 177.8622 3.171850 -6.945755 
5.267083 
1 1 1 -1  24  25 o 55.79544 2.878675  669.5576       65.38313 623.6724       
104.2063 699.3508       83.96820 54.11278 4.586855 57.47810 3.479634 -3.365318 
5.757351 
1 1 1 -1  24  26 o 86.10382 2.332752  1582.742       83.60467 1389.256       
120.6968 1761.209       115.9176 80.94426 3.551656 91.26338 3.025339 -10.31912 
4.665504 
1 1 1 -1  24  27 o 82.40721 2.684530  1398.012       90.18292 1638.490       
150.5805 1263.514       112.6129 87.66573 4.091287 77.14868 3.476807 10.51705 
5.369061 
1 1 1 -1  24  28 o 58.47089 3.214595  744.6962       75.12377 696.3787       
124.9207 772.0697       94.02584 56.74969 5.243148 60.19210 3.720736 -3.442413 
6.429189 
1 1 1 -1  24  29 o 28.37836 5.340513  167.0789       64.89191 281.1645       
109.4817 105.2921       80.57014 34.70754 7.715742 22.04919 7.385909 12.65835 
10.68103 
1 1 1 -1  24  30 o 48.51567 3.295478  514.0677       65.50069 489.0835       
103.1062 530.9734       84.81393 47.33929 5.187811 49.69205 4.065382 -2.352760 
6.590957 
1 1 1 -1  24  31 o 38.11257 4.859974  360.9988       70.34652 249.0324       
115.4443 427.1280       88.72076 31.96364 8.466544 44.26151 4.774415 -12.29787 
9.719949 
1 1 1 -1  24  32 o 32.02678 5.087805  268.5579       68.73743 138.6624       
113.6122 343.5601       86.33061 24.62275 8.737696 39.43081 5.214951 -14.80806 
10.17561 
1 1 1 -1  24  33 o 30.13150 5.546939  216.8553       69.15743 259.1429       
113.4219 191.8298       87.25341 32.16778 8.333222 28.09521 7.323355 4.072569 
11.09388 
1 1 1 -1  24  34 f 20.69395 5.284743  96.10725       59.87811 47.25671       
104.6337 119.8954       73.01591 19.01343 7.916102 22.37446 7.003526 -3.361032 
10.56949 
1 1 1 -1  24  35 o 35.21833 4.801336  304.1819       65.41619 281.4070       
111.8720 316.0153       80.63929 33.03597 8.114019 37.40070 5.135563 -4.364731 
9.602673 
1 1 1 -1  24  36 o 28.72842 5.344080  221.0169       64.04319 193.5884       
111.0244 234.6947       78.40187 26.49431 8.670138 30.96252 6.250238 -4.468212 
10.68816 
1 1 1 -1  24  37 o 38.68551 4.213641  351.4288       67.31598 420.8173       
107.7623 307.0257       86.20438 41.53893 6.179208 35.83209 5.730312 5.706837 
8.427282 
1 1 1 -1  25  1  o 85.77144 2.269740  1561.074       81.15776 1383.940       
116.7602 1726.649       112.8866 81.00707 3.433151 90.53580 2.969909 -9.528732 
4.539481 
1 1 1 -1  25  2  o 153.3176 2.322347  4903.413       148.4935 4538.810       
196.6624 5386.978       226.4843 146.7717 3.191538 159.8635 3.374504 -13.09178 
4.644695 
1 1 1 -1  25  3  o 84.54110 2.810636  1366.177       83.87931 1779.686       
185.5368 1259.951       94.03802 91.71805 4.818327 77.36415 2.895241 14.35390 
5.621272 
1 1 1 -1  25  4  o 77.99627 3.267469  1234.776       97.66849 1410.558       
184.9446 1166.793       115.0144 81.59769 5.398646 74.39484 3.682396 7.202850 
6.534938 
1 1 1 -1  25  5  o 130.2008 6.178194  3599.849       337.7180 3599.849       
337.7180 0.000000       0.000000 130.2008 6.178194 ?        ?        ? ? 
1 1 1 -1  25  6  o 113.2233 2.564518  2710.802       121.4808 2525.935       
174.9584 2882.896       168.8063 109.4608 3.807128 116.9858 3.436975 -7.525078 
5.129037 
1 1 1 -1  25  7  f 88.09468 2.618249  1619.712       95.65276 1733.800       
149.2943 1540.269       124.5816 90.67941 3.921531 85.50996 3.470231 5.169449 
5.236498 
1 1 1 -1  25  8  o 82.97205 2.686799  1424.888       91.80943 1582.444       
147.6547 1325.581       117.2252 86.61942 4.060254 79.32467 3.519928 7.294746 
5.373599 
1 1 1 -1  25  9  o 157.4335 3.591799  5266.572       234.1758 5077.295       
358.5276 5407.401       309.2573 154.8518 5.514771 160.0152 4.603412 -5.163422 
7.183599 
1 1 1 -1  25  10 o 131.1514 3.271930  3594.701       173.0220 3768.200       
291.1948 3500.020       215.1126 133.4678 5.196705 128.8349 3.976979 4.632904 
6.543860 
1 1 1 -1  25  11 o 24.79357 5.339502  124.2474       61.78920 181.1221       
94.35584 81.54591       81.75809 28.63909 7.685553 20.94805 7.414404 7.691042 
10.67900 
1 1 1 -1  25  12 o 131.7475 3.258205  3694.481       177.1228 3500.210       
273.1250 3835.483       232.6856 128.6530 5.056647 134.8421 4.110222 -6.189072 
6.516410 
1 1 1 -1  25  13 o 54.34203 3.418559  623.6945       77.26410 515.1338       
106.6613 743.5564       112.0756 49.34512 5.148534 59.33895 4.498752 -9.993839 
6.837118 
1 1 1 -1  25  14 o 79.49817 2.790087  1324.454       92.76952 1180.158       
126.0521 1494.967       137.0256 74.79771 4.014052 84.19864 3.876302 -9.400932 
5.580173 
1 1 1 -1  25  15 o 102.1031 2.696573  2198.298       115.4318 2046.372       
161.7697 2355.895       164.7618 98.49706 3.911965 105.7092 3.712488 -7.212097 
5.393147 
1 1 1 -1  25  16 o 94.69464 2.676701  1899.821       104.9249 1838.393       
161.0795 1945.094       138.2870 93.31844 4.111439 96.07085 3.428553 -2.752411 
5.353402 
1 1 1 -1  25  17 o 33.74066 7.882083  253.8369       109.7476 253.8369       
109.7476 0.000000       0.000000 33.74066 7.882083 ?        ?        ? ? 
1 1 1 -1  25  18 o 123.6935 2.914057  3161.940       146.1355 3502.731       
245.4782 2974.869       181.8745 128.6531 4.544789 118.7338 3.648535 9.919296 
5.828114 
1 1 1 -1  25  19 o 92.30840 2.333045  1789.162       88.36863 1834.208       
141.5481 1760.392       113.1214 93.21265 3.617015 91.40415 2.947813 1.808502 
4.666090 
1 1 1 -1  25  20 o 70.44979 2.519916  1045.991       72.68940 1058.068       
116.7546 1038.347       92.88738 70.73505 3.931519 70.16453 3.153263 0.5705261 
5.039832 
1 1 1 -1  25  21 f 40.08799 3.781679  340.8143       62.43179 350.6700       
98.96728 334.2998       80.46175 40.51247 5.818673 39.66350 4.831918 0.8489761 
7.563358 
1 1 1 -1  25  22 o 137.1800 2.348317  3972.653       133.3842 3991.411       
206.6588 3959.259       174.6283 137.3866 3.582865 136.9734 3.036684 0.4132690 
4.696634 
1 1 1 -1  25  23 o 85.80559 2.468369  1547.980       86.83222 1601.048       
139.6891 1514.562       110.8506 86.93029 3.827475 84.68088 3.117984 2.249413 
4.936738 
1 1 1 -1  25  24 o 89.80096 2.496878  1716.868       91.75629 1665.955       
145.9922 1750.111       117.9677 88.60184 3.924715 91.00008 3.087752 -2.398239 
4.993756 
1 1 1 -1  25  25 o 37.54982 4.281052  296.0342       64.27055 414.8778       
102.3006 218.5394       82.60889 43.91317 5.548870 31.18648 6.520710 12.72669 
8.562103 
1 1 1 -1  25  26 o 63.63366 3.158720  866.5513       84.17583 854.6642       
122.9721 877.0320       115.4673 63.17784 4.636207 64.08947 4.291343 
-0.9116287     6.317440 
1 1 1 -1  25  27 o 18.38316 5.397042  27.59089       68.46680 13.70194       
104.0166 38.20895       90.94743 18.28829 7.766870 18.47804 7.495865 
-0.1897488     10.79408 
1 1 1 -1  25  28 o 20.91447 5.596920  78.57480       66.79376 66.80534       
106.1501 86.28932       85.94022 20.87618 8.234138 20.95276 7.582943 
-0.7657623E-01 11.19384 
1 1 1 -1  25  29 o 84.20207 2.444035  1516.868       85.79720 1485.371       
128.3687 1542.297       115.3447 83.32047 3.669683 85.08368 3.229032 -1.763214 
4.888070 
1 1 1 -1  25  30 o 50.57006 3.968220  596.5742       78.20529 452.8609       
126.6539 685.1333       99.42290 44.81786 6.731135 56.32225 4.204627 -11.50439 
7.936439 
1 1 1 -1  25  31 o 78.50592 2.920263  1303.113       92.25040 1445.818       
157.5907 1228.720       113.7827 81.40075 4.611300 75.61109 3.584362 5.789658 
5.840525 
1 1 1 -1  25  32 o 16.83261 4.838321  16.43721       53.79850 86.94294       
89.45795 -23.50903      67.33559 20.64180 7.699158 13.02341 5.861772 7.618387 
9.676642 
1 1 1 -1  25  33 o 16.21189 4.993974  -1.989726      66.26513 -83.02864      
111.3791 42.41212       82.44372 14.92837 7.001486 17.49542 7.123082 -2.567057 
9.987947 
1 1 1 -1  25  34 o 30.65098 5.287749  246.4494       70.39938 159.7523       
114.3124 299.4224       89.35485 25.18554 8.781460 36.11642 5.892974 -10.93088 
10.57550 
1 1 1 -1  25  35 o 34.09163 5.274484  281.9858       71.77911 359.0576       
118.0389 236.7637       90.41753 37.49084 7.761519 30.69242 7.144197 6.798429 
10.54897 
1 1 1 -1  25  36 o 60.57088 3.416901  835.6384       84.90557 869.7049       
135.9424 813.8502       108.7182 61.05035 5.303810 60.09140 4.309344 0.9589500 
6.833802 
1 1 1 -1  26  1  o 82.25342 2.329143  1444.940       79.24657 1310.720       
119.3874 1550.656       105.9544 78.75225 3.610911 85.75458 2.942949 -7.002327 
4.658285 
1 1 1 -1  26  2  o 51.36113 2.745173  556.9363       58.33419 562.7756       
90.74688 552.8240       76.15285 51.55940 4.192228 51.16286 3.545295 0.3965416 
5.490345 
1 1 1 -1  26  3  o 143.9949 3.897949  4370.266       221.0329 4532.908       
389.6115 4293.076       268.4066 145.6256 6.372578 142.3643 4.490689 3.261230 
7.795899 
1 1 1 -1  26  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  26  5  o 39.12350 3.732174  324.7687       61.28508 335.8590       
87.41319 314.0476       85.94583 39.78379 5.233495 38.46321 5.322313 1.320583 
7.464348 
1 1 1 -1  26  6  o 136.6705 3.190101  3937.218       182.4698 4121.877       
271.1687 3784.418       246.6701 139.5611 4.628031 133.7798 4.391845 5.781250 
6.380202 
1 1 1 -1  26  7  o 100.6260 2.572880  2131.705       108.4572 2195.501       
159.6381 2077.014       147.8076 102.0096 3.727491 99.24242 3.547484 2.767143 
5.145759 
1 1 1 -1  26  8  o 38.74754 4.078461  317.2437       66.17023 348.4915       
97.55706 290.6195       90.05070 40.50792 5.736405 36.98716 5.799055 3.520763 
8.156922 
1 1 1 -1  26  9  o 57.33109 3.086212  696.5015       73.92441 672.6508       
108.9612 716.8427       100.6255 56.39792 4.601820 58.26425 4.113645 -1.866329 
6.172425 
1 1 1 -1  26  10 o 65.92889 2.954217  923.6755       81.07528 866.4954       
120.5351 970.9204       109.5640 64.02360 4.484300 67.83419 3.847161 -3.810593 
5.908434 
1 1 1 -1  26  11 o 120.4584 2.823175  3051.600       136.6206 3102.315       
230.1873 3024.018       169.7530 121.1325 4.526283 119.7843 3.375504 1.348183 
5.646350 
1 1 1 -1  26  12 o 73.79136 2.839181  1153.236       87.15616 963.1694       
121.8424 1352.396       124.7229 67.51439 4.298561 80.06833 3.710280 -12.55394 
5.678362 
1 1 1 -1  26  13 o 110.7196 2.679714  2588.183       124.2247 2569.625       
182.1748 2604.311       169.8343 110.3260 3.933068 111.1132 3.640667 
-0.7871475     5.359429 
1 1 1 -1  26  14 f 25.94445 5.682911  132.7498       70.79090 211.8697       
107.8519 72.86211       93.83263 30.82842 8.191431 21.06047 7.879236 9.767958 
11.36582 
1 1 1 -1  26  15 f 142.8858 3.141854  4323.264       187.7960 4274.866       
276.7323 4364.581       255.6821 142.0935 4.638811 143.6781 4.238682 -1.584595 
6.283709 
1 1 1 -1  26  16 o 40.22546 4.984992  353.7926       80.59834 476.0051       
117.9429 246.7173       110.3974 47.26590 5.943538 33.18502 8.004683 14.08088 
9.969984 
1 1 1 -1  26  17 o 110.5263 3.010515  2556.953       135.0161 2695.466       
224.0822 2478.006       169.1727 112.7436 4.734092 108.3091 3.720372 4.434479 
6.021029 
1 1 1 -1  26  18 o 181.1468 4.130424  6945.630       314.1263 0.000000       
0.000000 6945.630       314.1263 ?        ?        181.1468 4.130424 ? ? 
1 1 1 -1  26  19 o 88.30777 4.337843  1653.213       160.8243 1653.213       
160.8243 0.000000       0.000000 88.30777 4.337843 ?        ?        ? ? 
1 1 1 -1  26  20 o 39.48354 4.891822  327.6052       76.69173 522.8027       
120.8963 196.1604       99.20822 49.43406 5.825160 29.53301 7.860483 19.90105 
9.783644 
1 1 1 -1  26  21 o 155.2182 2.476114  5047.200       150.5347 5229.784       
268.2091 4963.233       181.8842 157.0458 4.067881 153.3907 2.824340 3.655151 
4.952227 
1 1 1 -1  26  22 o 93.29337 2.284793  1842.418       88.17140 1824.399       
136.5610 1855.299       115.4637 92.84476 3.503406 93.74197 2.933814 
-0.8972168     4.569586 
1 1 1 -1  26  23 o 55.66871 2.985205  668.4859       67.95395 613.5342       
106.4966 706.2254       88.25584 53.61850 4.730881 57.71892 3.642053 -4.100418 
5.970409 
1 1 1 -1  26  24 o 39.35755 3.925972  333.1341       63.27060 335.5365       
101.3759 331.6013       80.97813 39.36427 6.134140 39.35083 4.901566 
0.1343918E-01  7.851943 
1 1 1 -1  26  25 o 26.22666 5.421310  158.7612       67.87444 77.32640       
104.9878 217.2391       88.96719 21.57288 8.263749 30.88044 7.019463 -9.307552 
10.84262 
1 1 1 -1  26  26 o 72.78612 3.049178  1123.394       92.67103 1248.147       
140.2375 1026.688       123.4710 76.31562 4.376954 69.25661 4.246437 7.059006 
6.098356 
1 1 1 -1  26  27 o 59.99974 3.242970  759.9376       80.79935 887.1826       
126.0987 671.3021       105.2432 64.14320 4.682537 55.85628 4.487901 8.286915 
6.485939 
1 1 1 -1  26  28 o 83.73360 2.759781  1511.669       94.09937 1468.354       
151.5607 1538.839       120.0379 82.52590 4.374388 84.94130 3.366049 -2.415398 
5.519561 
1 1 1 -1  26  29 o 103.9331 2.669623  2325.424       116.0508 2234.860       
169.5245 2405.295       159.2025 101.9059 3.962364 105.9604 3.578718 -4.054504 
5.339246 
1 1 1 -1  26  30 o 91.05664 3.070214  1805.439       115.6600 1764.800       
178.1252 1835.063       152.0808 89.89507 4.719657 92.21821 3.928066 -2.323135 
6.140429 
1 1 1 -1  26  31 o 53.27236 3.497418  623.9316       75.84103 631.6235       
123.3555 619.2570       96.16319 53.22475 5.520341 53.31997 4.295760 
-0.9521866E-01 6.994835 
1 1 1 -1  26  32 o 53.48883 3.574792  643.4004       78.23808 595.0565       
122.1664 677.0147       101.8694 51.38772 5.662570 55.58994 4.364844 -4.202213 
7.149585 
1 1 1 -1  26  33 o 54.25410 3.837725  684.9809       84.16447 538.0058       
126.6550 801.2056       112.6289 48.25011 6.252377 60.25808 4.452003 -12.00797 
7.675451 
1 1 1 -1  26  34 o 28.04324 5.472526  201.8758       66.34832 194.5046       
100.7561 207.5193       88.16148 27.35470 8.161099 28.73177 7.293189 -1.377069 
10.94505 
1 1 1 -1  26  35 o 43.53888 4.379013  449.7046       78.31314 472.5055       
124.9776 434.9639       100.4882 43.91062 6.779281 43.16714 5.544758 0.7434769 
8.758025 
1 1 1 -1  26  36 o 52.26129 4.063240  677.2521       84.34784 512.6812       
128.6081 801.4739       111.7353 45.21336 6.775207 59.30922 4.487343 -14.09587 
8.126480 
1 1 1 -1  27  1  o 46.47623 2.822136  471.0634       53.47705 366.6704       
78.98866 559.4050       72.66270 41.51847 4.531526 51.43400 3.364979 -9.915531 
5.644272 
1 1 1 -1  27  2  o 66.60286 3.120230  960.2890       80.90530 892.1426       
141.6025 993.3171       98.58048 64.66021 5.216207 68.54550 3.425572 -3.885292 
6.240461 
1 1 1 -1  27  3  o 67.91154 3.620344  975.3657       103.2220 0.000000       
0.000000 975.3657       103.2220 ?        ?        67.91154 3.620344 ? ? 
1 1 1 -1  27  4  o 127.2092 3.440582  3422.459       180.0598 3351.377       
231.4793 3531.365       286.5228 125.6971 4.386396 128.7213 5.301881 -3.024124 
6.881164 
1 1 1 -1  27  5  o 65.45238 2.854133  907.3298       78.35401 917.9489       
108.8334 895.9028       112.8969 65.86366 3.935841 65.04110 4.134424 0.8225555 
5.708267 
1 1 1 -1  27  6  o 76.83206 2.695385  1254.366       86.41650 1107.042       
123.0850 1397.579       121.3561 72.32468 4.053587 81.33945 3.553706 -9.014763 
5.390770 
1 1 1 -1  27  7  o 83.82235 2.880176  1490.032       100.1670 1464.077       
153.1392 1509.440       132.4234 83.12969 4.387844 84.51501 3.732088 -1.385315 
5.760352 
1 1 1 -1  27  8  f 54.18558 3.231210  609.3022       72.67948 749.3765       
111.8977 507.0868       95.58730 59.46939 4.481760 48.90176 4.655826 10.56763 
6.462420 
1 1 1 -1  27  9  o 20.39964 5.417456  61.18817       64.84412 104.3309       
92.71807 19.88358       90.72141 22.95671 7.917796 17.84257 7.396203 5.114143 
10.83491 
1 1 1 -1  27  10 o 112.4093 2.838779  2688.147       132.7013 2538.021       
198.5861 2809.266       178.3728 109.4916 4.320053 115.3269 3.683995 -5.835289 
5.677559 
1 1 1 -1  27  11 o 164.7011 3.981915  5783.454       269.8556 5743.092       
425.1613 5810.684       349.2158 163.9807 6.175643 165.4215 5.028320 -1.440857 
7.963829 
1 1 1 -1  27  12 o 156.5146 3.164871  5217.088       201.1608 5080.130       
326.7755 5300.659       255.2594 154.6621 5.032533 158.3671 3.839174 -3.705032 
6.329742 
1 1 1 -1  27  13 o 88.69398 2.666713  1629.487       97.76133 1847.214       
155.6166 1487.538       125.6514 93.45981 3.965995 83.92815 3.565994 9.531654 
5.333426 
1 1 1 -1  27  14 o 168.1521 3.881785  6019.278       272.0312 6049.399       
410.6081 5995.716       363.1660 168.3816 5.808366 167.9226 5.151302 0.4589996 
7.763571 
1 1 1 -1  27  15 o 78.31689 2.945914  1296.277       96.41229 1324.770       
144.1072 1273.188       129.7200 79.06519 4.341316 77.56859 3.983293 1.496597 
5.891829 
1 1 1 -1  27  16 o 132.5523 2.971112  3713.797       165.1246 3474.616       
227.6599 3979.300       239.8604 128.0501 4.234749 137.0545 4.168563 -9.004349 
5.942224 
1 1 1 -1  27  17 o 104.6794 3.005265  2323.088       132.0703 2340.307       
187.8104 2306.243       185.7578 105.0612 4.257930 104.2976 4.242227 0.7635956 
6.010529 
1 1 1 -1  27  18 o 107.3654 3.048274  2454.202       136.5489 2364.079       
202.5687 2529.257       184.8623 105.4803 4.574271 109.2505 4.030378 -3.770210 
6.096549 
1 1 1 -1  27  19 o 78.29370 3.047169  1305.347       99.15941 1273.906       
150.2455 1329.610       131.9871 77.38831 4.624313 79.19908 3.969469 -1.810768 
6.094338 
1 1 1 -1  27  20 o 160.8229 5.017391  5520.571       338.7699 0.000000       
0.000000 5520.571       338.7699 ?        ?        160.8229 5.017391 ? ? 
1 1 1 -1  27  21 o 89.83360 3.610486  1719.634       135.1844 1674.126       
179.6497 1779.041       205.2586 88.55580 4.832040 91.11141 5.365988 -2.555611 
7.220972 
1 1 1 -1  27  22 o 54.22102 3.198900  627.2592       72.79036 626.9158       
104.4000 627.5839       101.5417 54.19403 4.588494 54.24802 4.458427 
-0.5399323E-01 6.397801 
1 1 1 -1  27  23 o 91.60546 2.413338  1726.615       89.72798 1985.315       
151.2171 1586.031       111.4732 96.65193 3.726589 86.55899 3.067464 10.09294 
4.826676 
1 1 1 -1  27  24 o 55.50366 3.025038  630.3052       68.92328 811.6965       
112.5392 521.4330       87.18744 61.60242 4.351380 49.40491 4.203440 12.19751 
6.050076 
1 1 1 -1  27  25 o 54.28616 3.637004  641.9148       81.37585 499.5120       
113.8916 790.4352       116.3123 47.92027 5.661005 60.65204 4.567738 -12.73177 
7.274009 
1 1 1 -1  27  26 o 17.33375 5.292228  2.352995       70.13508 -4.407078      
104.4722 7.899198       94.62870 17.46763 7.607262 17.19987 7.359366 0.2677574 
10.58446 
1 1 1 -1  27  27 o 24.86444 5.797865  135.8320       70.48853 175.8362       
106.7363 104.8909       93.87019 27.35292 8.448867 22.37596 7.942142 4.976954 
11.59573 
1 1 1 -1  27  28 o 103.0068 2.507715  2278.146       108.1106 2173.749       
156.8021 2372.741       149.2596 100.6551 3.710541 105.3585 3.374378 -4.703400 
5.015430 
1 1 1 -1  27  29 o 98.07130 2.838194  2072.125       113.8627 2101.183       
183.1989 2053.835       145.3453 98.32311 4.438010 97.81950 3.539132 0.5036163 
5.676388 
1 1 1 -1  27  30 o 19.41670 5.560981  49.32492       70.26517 88.06182       
108.6336 21.46222       92.13262 21.55791 8.371819 17.27548 7.321931 4.282425 
11.12196 
1 1 1 -1  27  31 o 31.26955 5.325519  239.5479       68.56436 234.6878       
105.6484 243.0843       90.12139 30.68946 8.085793 31.84963 6.932861 -1.160166 
10.65104 
1 1 1 -1  27  32 o 31.18861 5.694705  236.0506       75.14617 319.3956       
118.0140 179.2119       97.45762 35.66533 8.069033 26.71188 8.037996 8.953445 
11.38941 
1 1 1 -1  27  33 o 19.99152 5.441947  33.80745       69.30434 179.0857       
115.2029 -48.58911      86.75962 26.22859 8.831786 13.75446 6.360714 12.47413 
10.88389 
1 1 1 -1  27  34 o 49.64514 3.707521  556.4555       76.02744 614.6372       
120.7494 518.2407       97.86063 51.47699 5.587183 47.81330 4.875064 3.663685 
7.415043 
1 1 1 -1  27  35 o 35.87080 5.434517  334.4081       79.11763 422.0989       
121.6026 270.0396       104.1844 40.19264 7.485532 31.54897 7.880529 8.643667 
10.86903 
1 1 1 -1  28  1  o 17.73962 4.979396  41.32605       54.99403 -40.79879      
109.3150 69.15368       63.63276 16.72783 7.501246 18.75141 6.550484 -2.023584 
9.958792 
1 1 1 -1  28  2  o 26.87843 5.714933  160.1122       68.43343 168.4184       
110.0642 154.8775       87.37577 27.50850 8.596291 26.24837 7.532969 1.260136 
11.42987 
1 1 1 -1  28  3  o 126.4278 5.383688  3425.301       285.7600 3425.301       
285.7600 0.000000       0.000000 126.4278 5.383688 ?        ?        ? ? 
1 1 1 -1  28  4  o 48.47124 3.856385  515.2888       73.32201 466.9062       
125.4564 540.3882       90.36087 46.51551 6.424158 50.42697 4.268139 -3.911461 
7.712770 
1 1 1 -1  28  5  o 37.79806 4.025653  304.9081       61.67851 381.0711       
93.53886 246.3185       82.04093 42.22935 5.275927 33.36676 6.081786 8.862583 
8.051306 
1 1 1 -1  28  6  o 207.9106 4.630931  9299.063       402.1985 9154.563       
540.6368 9478.146       601.8662 206.3531 6.240448 209.4680 6.843894 -3.114975 
9.261862 
1 1 1 -1  28  7  o 88.24436 2.671600  1651.695       98.58865 1610.866       
144.9765 1686.818       134.4668 87.19099 3.960473 89.29773 3.586704 -2.106735 
5.343201 
1 1 1 -1  28  8  o 24.20314 5.565622  122.4289       65.00792 146.6520       
95.60240 101.5962       88.65981 25.89794 7.995393 22.50835 7.744565 3.389584 
11.13124 
1 1 1 -1  28  9  o 91.18616 3.600368  1736.502       129.9980 1669.639       
157.9753 1876.750       228.7948 88.72622 4.240903 93.64609 5.819393 -4.919868 
7.200736 
1 1 1 -1  28  10 o 60.56986 3.229474  776.2383       81.80605 812.4969       
122.1804 746.7756       110.1371 61.82476 4.707171 59.31495 4.422731 2.509811 
6.458949 
1 1 1 -1  28  11 o 23.27695 5.058417  108.6849       65.59962 -33.81681      
105.6064 198.2152       83.70767 16.78811 7.455842 29.76579 6.838184 -12.97768 
10.11683 
1 1 1 -1  28  12 o 124.9387 3.288572  3336.723       168.3029 3224.829       
266.6818 3410.788       216.9686 123.0099 5.163859 126.8675 4.073498 -3.857628 
6.577145 
1 1 1 -1  28  13 o 36.46970 4.902227  294.2506       72.87537 273.1208       
108.8154 311.4355       98.13307 34.83634 7.648245 38.10305 6.134465 -3.266712 
9.804454 
1 1 1 -1  28  14 o 105.9590 3.070406  2384.070       134.6951 2377.736       
208.3194 2388.620       176.5691 105.7396 4.692595 106.1784 3.960951 
-0.4388199     6.140812 
1 1 1 -1  28  15 o 62.34640 3.391786  805.0685       87.22401 1054.185       
135.3018 627.9153       114.0977 70.41538 4.576751 54.27742 5.007016 16.13797 
6.783572 
1 1 1 -1  28  16 o 84.71202 2.937438  1524.609       104.2663 1490.843       
151.2535 1555.184       143.9287 83.78455 4.299942 85.63950 4.003080 -1.854950 
5.874875 
1 1 1 -1  28  17 f 33.82713 5.490523  259.2651       76.36510 265.0934       
107.1304 253.2444       108.8841 34.24126 7.647284 33.41299 7.880511 0.8282776 
10.98105 
1 1 1 -1  28  18 o 39.92049 4.750758  351.7990       76.47355 441.6723       
110.5222 269.2481       105.9242 45.33609 5.806660 34.50490 7.520739 10.83119 
9.501516 
1 1 1 -1  28  19 f 106.4655 2.899943  2421.768       128.8080 2269.163       
189.2348 2553.515       175.8273 103.2359 4.366078 109.6952 3.817858 -6.459297 
5.799886 
1 1 1 -1  28  20 o 96.57962 2.779720  1987.314       111.4150 1949.672       
170.0586 2015.621       147.4732 95.68105 4.233443 97.47818 3.603517 -1.797127 
5.559440 
1 1 1 -1  28  21 o 89.92976 2.767234  1682.408       100.6182 1861.268       
170.0473 1586.049       124.8127 93.38818 4.337094 86.47135 3.438014 6.916824 
5.534467 
1 1 1 -1  28  22 o 39.30669 5.943161  335.4771       98.07602 0.000000       
0.000000 335.4771       98.07602 ?        ?        39.30669 5.943161 ? ? 
1 1 1 -1  28  23 o 76.23250 3.028547  1253.221       95.14808 1191.654       
147.3044 1297.298       124.6376 74.45843 4.712190 78.00656 3.805739 -3.548134 
6.057094 
1 1 1 -1  28  24 o 74.86630 3.761419  1183.535       110.4201 1127.242       
132.7973 1309.645       198.7639 72.45970 4.365295 77.27290 6.126768 -4.813194 
7.522838 
1 1 1 -1  28  25 o 103.4133 2.603624  2289.471       112.6839 2221.833       
164.5350 2349.221       154.6428 101.8891 3.846377 104.9376 3.510103 -3.048508 
5.207249 
1 1 1 -1  28  26 o 49.75759 3.772479  537.2924       78.49777 601.1293       
116.9572 484.9642       105.8911 52.43449 5.312893 47.08069 5.357198 5.353794 
7.544959 
1 1 1 -1  28  27 o 59.53260 3.306846  771.5996       81.87721 762.4310       
124.0326 778.6805       109.0018 59.07114 5.001284 59.99406 4.327595 
-0.9229240     6.613692 
1 1 1 -1  28  28 o 99.54770 2.386222  2110.369       99.27099 2253.331       
149.2759 1997.012       132.9234 102.4950 3.469029 96.60038 3.277508 5.894630 
4.772444 
1 1 1 -1  28  29 o 43.62917 4.156376  416.8046       75.18532 506.3997       
117.6921 355.0298       97.72610 47.47993 5.904161 39.77840 5.851730 7.701527 
8.312753 
1 1 1 -1  28  30 o 49.15959 3.912345  542.9313       79.62436 534.4824       
122.3649 549.1360       104.8622 48.54911 6.003390 49.77007 5.018473 -1.220959 
7.824689 
1 1 1 -1  28  31 o 62.69876 3.213233  869.1199       84.37653 829.6841       
121.6005 905.7376       117.1753 61.19500 4.733043 64.20252 4.347156 -3.007523 
6.426466 
1 1 1 -1  28  32 o 87.79503 3.051909  1713.224       111.5452 1513.314       
160.7912 1898.688       154.8726 82.48398 4.643161 93.10609 3.962027 -10.62211 
6.103819 
1 1 1 -1  28  33 o 38.49423 4.585110  341.3995       70.82394 471.4658       
112.7808 256.7085       91.00636 44.87797 5.985813 32.11049 6.947156 12.76749 
9.170220 
1 1 1 -1  28  34 o 20.33900 5.719490  91.70392       75.06208 47.64686       
114.5957 124.8109       99.33914 18.65767 8.043800 22.02033 8.133113 -3.362661 
11.43898 
1 1 1 -1  28  35 o 22.37172 5.654039  134.9617       67.24496 132.2846       
98.94970 137.2592       91.66502 22.20363 8.126702 22.53979 7.863164 
-0.3361607     11.30808 
1 1 1 -1  29  1  o 31.69046 5.220413  232.2558       65.07168 210.2426       
118.8823 241.6722       77.75362 30.01102 8.843598 33.36990 5.549921 -3.358883 
10.44083 
1 1 1 -1  29  2  o 18.62600 7.962813  8.891568       110.6186 0.000000       
0.000000 8.891568       110.6186 ?        ?        18.62600 7.962813 ? ? 
1 1 1 -1  29  3  o 27.02386 5.938231  155.7771       84.95710 260.5671       
113.6356 22.97656       127.9247 33.56701 8.136563 20.48071 8.651399 13.08630 
11.87646 
1 1 1 -1  29  4  o 112.0730 3.293324  2717.028       150.0258 2558.576       
240.6180 2817.803       191.8926 109.0835 5.254002 115.0626 3.972329 -5.979103 
6.586648 
1 1 1 -1  29  5  o 41.19102 3.978059  364.4903       68.63370 401.1593       
99.69671 331.4558       94.62702 43.17826 5.499671 39.20378 5.749212 3.974483 
7.956118 
1 1 1 -1  29  6  f 54.49057 3.121861  639.6425       70.57167 542.9178       
101.7176 729.4138       97.99339 50.39927 4.807207 58.58187 3.984324 -8.182602 
6.243723 
1 1 1 -1  29  7  f 62.15187 3.027739  794.8840       77.16838 950.2809       
126.7869 703.4427       97.25780 66.76746 4.523041 57.53627 4.026278 9.231194 
6.055478 
1 1 1 -1  29  8  o 164.6436 3.219722  5764.721       220.9813 5878.799       
334.3026 5676.193       294.4978 165.9508 4.798235 163.3364 4.294575 2.614426 
6.439444 
1 1 1 -1  29  9  o 92.91559 2.711977  1834.329       102.8646 1818.926       
165.6866 1843.989       131.2152 92.48196 4.267282 93.34923 3.348070 
-0.8672714     5.423953 
1 1 1 -1  29  10 o 89.94435 2.863671  1717.112       108.0221 1736.643       
156.7966 1699.466       149.0317 90.41003 4.130867 89.47867 3.967164 0.9313583 
5.727343 
1 1 1 -1  29  11 o 105.2854 2.643624  2339.899       115.2402 2409.461       
179.5747 2291.193       150.2631 106.5312 4.015035 104.0396 3.440128 2.491615 
5.287248 
1 1 1 -1  29  12 o 94.50697 2.930866  1895.034       115.7857 1926.146       
172.5370 1869.543       156.1743 95.16305 4.318519 93.85090 3.963622 1.312149 
5.861732 
1 1 1 -1  29  13 o 30.26370 5.412890  206.3806       68.05724 216.3303       
106.3520 199.4806       88.56573 30.82000 8.109219 29.70741 7.172035 1.112589 
10.82578 
1 1 1 -1  29  14 o 97.30476 2.968272  2018.092       120.6564 1958.498       
178.2190 2068.521       163.9416 95.90604 4.426180 98.70348 3.956195 -2.797440 
5.936543 
1 1 1 -1  29  15 o 112.8263 2.738270  2723.081       127.3910 2583.578       
196.8884 2823.536       167.0763 110.1907 4.255947 115.4619 3.446651 -5.271164 
5.476539 
1 1 1 -1  29  16 o 83.53172 2.767366  1476.745       96.69835 1544.469       
144.1765 1421.371       130.3680 85.23641 4.028935 81.82702 3.794856 3.409393 
5.534731 
1 1 1 -1  29  17 o 121.3102 2.909424  3127.547       146.6993 3164.576       
224.3580 3099.892       193.8895 121.8229 4.386659 120.7975 3.823114 1.025345 
5.818847 
1 1 1 -1  29  18 o 114.0681 3.170409  2778.287       151.7918 2692.390       
212.7387 2867.368       216.6466 112.2594 4.513824 115.8768 4.453243 -3.617393 
6.340819 
1 1 1 -1  29  19 o 36.63118 5.415185  303.9619       80.62887 366.8173       
119.3414 251.1772       109.3637 40.25864 7.332135 33.00373 7.970994 7.254910 
10.83037 
1 1 1 -1  29  20 o 53.47406 3.617480  613.1724       80.83321 643.7950       
121.3829 588.7709       108.3542 54.62020 5.293286 52.32793 4.932116 2.292274 
7.234960 
1 1 1 -1  29  21 o 29.07244 5.725425  191.1268       71.85381 231.7974       
111.9735 162.6551       93.68738 31.48801 8.337268 26.65689 7.849328 4.831121 
11.45085 
1 1 1 -1  29  22 o 19.04047 5.414483  35.60853       70.66965 -45.78170      
111.3971 90.42613       91.42140 16.56672 7.493459 21.51422 7.817580 -4.947508 
10.82897 
1 1 1 -1  29  23 o 93.12773 3.260205  1873.605       126.7895 1641.676       
177.8781 2113.140       180.7717 87.11885 4.863303 99.13662 4.343276 -12.01777 
6.520411 
1 1 1 -1  29  24 o 55.12222 11.80565  780.9208       265.2965 0.000000       
0.000000 780.9208       265.2965 ?        ?        55.12222 11.80565 ? ? 
1 1 1 -1  29  25 o 64.11253 4.150116  917.0085       109.4659 957.6321       
143.5557 860.5729       169.2031 66.18996 5.165940 62.03511 6.496686 4.154842 
8.300233 
1 1 1 -1  29  26 o 81.79352 2.904871  1445.724       99.66372 1498.292       
140.0199 1391.742       141.8903 83.36042 4.000838 80.22661 4.212648 3.133812 
5.809743 
1 1 1 -1  29  27 o 76.04968 3.096009  1265.365       95.68669 1222.733       
154.4607 1291.915       121.8930 74.65434 4.928151 77.44503 3.748922 -2.790695 
6.192018 
1 1 1 -1  29  28 o 65.52235 2.944108  934.9600       79.34935 923.2570       
124.7860 942.9042       102.8128 64.94412 4.576643 66.10059 3.704784 -1.156464 
5.888215 
1 1 1 -1  29  29 o 40.37317 4.606374  368.9793       75.31054 467.7578       
116.6102 298.2979       98.64114 45.33262 6.126985 35.41372 6.880029 9.918896 
9.212749 
1 1 1 -1  29  30 f 21.95089 5.723683  91.97467       71.58302 170.3694       
111.2745 36.62741       93.49761 26.03672 8.679901 17.86506 7.463344 8.171658 
11.44737 
1 1 1 -1  29  31 o 17.76162 5.395152  21.25650       71.61295 52.06470       
110.8111 -0.8389078     93.84283 19.40775 8.117537 16.11549 7.108884 3.292259 
10.79030 
1 1 1 -1  29  32 o 56.82961 3.680178  723.2399       86.92719 828.8586       
135.1221 648.6635       113.5421 60.18384 5.347705 53.47539 5.057360 6.708454 
7.360356 
1 1 1 -1  29  33 o 15.86112 4.894274  -43.96193      73.33060 -230.1941      
113.6809 88.74995       95.96549 11.78050 5.859955 19.94173 7.840702 -8.161228 
9.788548 
1 1 1 -1  29  34 o 15.73407 5.042824  -51.12162      74.68871 73.37374       
114.6709 -142.8512      98.43087 19.49515 8.210868 11.97298 5.856785 7.522173 
10.08565 
1 1 1 -1  30  1  o 101.7213 4.209753  2226.128       179.7826 0.000000       
0.000000 2226.128       179.7826 ?        ?        101.7213 4.209753 ? ? 
1 1 1 -1  30  2  o 50.69223 5.806453  563.1305       123.5752 563.1305       
123.5752 0.000000       0.000000 50.69223 5.806453 ?        ?        ? ? 
1 1 1 -1  30  3  f 28.61885 5.537248  197.5802       69.48551 141.7639       
112.6708 231.8388       88.27048 25.44522 8.732886 31.79248 6.810371 -6.347260 
11.07450 
1 1 1 -1  30  4  o 46.45711 4.102430  477.4868       75.91670 446.7859       
126.9026 494.5975       94.73886 44.98111 6.719880 47.93310 4.707754 -2.951984 
8.204861 
1 1 1 -1  30  5  o 30.42427 5.373002  198.3562       67.98243 297.5659       
112.1449 140.7175       85.47905 35.91129 7.663944 24.93724 7.532632 10.97405 
10.74600 
1 1 1 -1  30  6  o 58.68678 3.068825  736.4180       75.57848 709.1625       
105.2332 765.4535       108.6152 57.56250 4.354460 59.81107 4.325439 -2.248566 
6.137650 
1 1 1 -1  30  7  o 81.87964 2.828176  1431.326       96.59988 1230.827       
134.8270 1642.811       138.4717 75.90436 4.230884 87.85491 3.754188 -11.95055 
5.656351 
1 1 1 -1  30  8  o 47.97049 3.631074  496.4318       72.90890 457.6821       
103.8272 534.1272       102.4050 46.06434 5.368679 49.87664 4.890408 -3.812294 
7.262148 
1 1 1 -1  30  9  o 127.8407 3.034215  3485.877       162.7147 3406.510       
224.6354 3573.488       236.0125 126.3392 4.235073 129.3422 4.346262 -3.002945 
6.068429 
1 1 1 -1  30  10 o 64.55733 3.043663  892.4656       82.15738 806.2708       
116.7356 977.0619       115.6482 61.40153 4.528406 67.71314 4.068055 -6.311615 
6.087326 
1 1 1 -1  30  11 o 33.22547 5.087305  248.9665       69.05888 308.3146       
101.6893 198.1662       94.08172 37.03384 6.793862 29.41709 7.574042 7.616751 
10.17461 
1 1 1 -1  30  12 o 126.9352 3.000229  3436.780       159.8371 3317.881       
224.3498 3559.339       227.7769 124.6855 4.285789 129.1850 4.199705 -4.499443 
6.000459 
1 1 1 -1  30  13 o 20.95454 5.511845  78.65670       65.26729 52.39577       
100.6247 97.72865       85.75258 20.00308 7.976657 21.90600 7.608856 -1.902914 
11.02369 
1 1 1 -1  30  14 o 68.69963 3.011523  1007.125       85.10651 1009.194       
134.4924 1005.744       109.9117 68.64391 4.666774 68.75534 3.807664 
-0.1114273     6.023046 
1 1 1 -1  30  15 o 64.59739 3.072918  886.6169       83.07229 988.1422       
122.5501 800.3063       112.9947 68.01314 4.291822 61.18164 4.399042 6.831493 
6.145837 
1 1 1 -1  30  16 o 123.3726 3.054710  3270.691       156.7407 3117.371       
235.0363 3393.489       210.3432 120.5820 4.642732 126.1633 3.971152 -5.581337 
6.109420 
1 1 1 -1  30  17 o 38.80371 5.273571  367.0255       81.70808 203.3139       
122.5959 497.8650       109.5988 29.63721 9.034784 47.97020 5.441958 -18.33299 
10.54714 
1 1 1 -1  30  18 o 77.69379 3.082771  1312.520       98.87270 1075.929       
142.9208 1529.679       136.9260 70.70502 4.814667 84.68256 3.851349 -13.97754 
6.165542 
1 1 1 -1  30  19 o 51.79039 3.907048  573.8519       84.28018 676.3390       
128.4563 496.3893       111.6776 55.80090 5.483214 47.77988 5.567267 8.021019 
7.814096 
1 1 1 -1  30  20 o 37.36229 4.952400  310.0854       75.50010 397.4803       
114.1817 242.1882       100.6419 42.45880 6.405454 32.26578 7.554815 10.19302 
9.904800 
1 1 1 -1  30  21 o 47.17671 4.174716  499.6795       80.41502 421.4010       
122.1350 559.5813       106.8413 43.55060 6.679856 50.80282 5.009245 -7.252224 
8.349432 
1 1 1 -1  30  22 o 26.31295 5.878752  161.9910       73.24439 134.6139       
113.1900 181.7125       96.06935 24.83939 8.730819 27.78652 7.874752 -2.947126 
11.75750 
1 1 1 -1  30  23 o 23.69221 6.559834  92.49799       91.47806 65.24501       
113.4899 143.0462       154.5621 21.00764 8.434502 26.37678 10.04912 -5.369148 
13.11967 
1 1 1 -1  30  24 o 25.88365 6.713719  136.3630       93.25835 100.6409       
116.8848 198.9378       154.6996 22.85443 8.729628 28.91287 10.20244 -6.058447 
13.42744 
1 1 1 -1  30  25 o 71.18367 4.137122  1078.947       119.5868 944.5300       
148.0810 1330.986       202.7711 65.40102 5.393069 76.96632 6.275183 -11.56531 
8.274244 
1 1 1 -1  30  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  30  27 o 43.66750 5.892307  414.0738       104.1255 209.3166       
128.9132 798.3890       176.6126 28.76923 9.342554 58.56577 7.182884 -29.79654 
11.78461 
1 1 1 -1  30  28 o 33.84605 5.611534  284.1296       78.90001 338.9247       
112.8050 231.6490       110.3969 37.40535 7.447343 30.28674 8.396091 7.118612 
11.22307 
1 1 1 -1  30  29 o 20.51805 5.633013  67.36843       71.30754 141.3097       
110.6356 14.82489       93.26339 24.21429 8.619484 16.82181 7.254504 7.392483 
11.26603 
1 1 1 -1  30  30 o 21.09673 5.724555  94.21008       72.37488 59.81260       
111.4447 119.2982       95.17667 19.77224 8.196912 22.42122 7.993294 -2.648979 
11.44911 
1 1 1 -1  30  31 o 40.41944 4.792515  393.4912       78.16407 410.0342       
122.1363 382.0159       101.7236 40.41093 7.480240 40.42795 5.993231 
-0.1701736E-01 9.585031 
1 1 1 -1  30  32 o 47.24403 4.085223  524.6870       80.54517 553.3245       
121.7571 502.4031       107.4044 48.15556 6.022392 46.33250 5.521502 1.823059 
8.170446 
1 1 1 -1  30  33 o 45.08356 4.345916  484.1343       81.35176 585.9812       
126.0833 411.4927       106.4821 49.08530 6.118248 41.08183 6.173733 8.003468 
8.691833 
1 1 1 -1  31  1  o 85.21156 4.361436  1574.894       156.0296 0.000000       
0.000000 1574.894       156.0296 ?        ?        85.21156 4.361436 ? ? 
1 1 1 -1  31  2  o 69.20328 4.110843  1059.717       118.9785 1045.888       
161.0044 1076.355       176.5963 68.85591 5.569517 69.55065 6.047858 
-0.6947403     8.221685 
1 1 1 -1  31  3  o 20.34721 5.710977  23.37292       75.74827 147.0927       
125.1778 -48.10333      95.14558 25.75112 9.168287 14.94330 6.812015 10.80782 
11.42195 
1 1 1 -1  31  4  o 31.60971 6.121639  224.1577       79.87937 301.9245       
140.3079 186.8645       97.16270 35.10100 9.350457 28.11841 7.903596 6.982590 
12.24328 
1 1 1 -1  31  5  f 43.99239 4.417229  388.9559       77.56813 575.3922       
138.1634 303.1446       93.73465 50.90260 6.465084 37.08218 6.020824 13.82042 
8.834457 
1 1 1 -1  31  6  o 44.88955 3.849773  439.0872       71.63722 442.3421       
110.4501 436.7237       94.11898 44.89942 5.859308 44.87968 4.995151 
0.1974487E-01  7.699546 
1 1 1 -1  31  7  o 97.34319 2.991357  2025.765       119.9295 2078.365       
189.8566 1990.840       154.7027 98.18998 4.605529 96.49639 3.818633 1.693588 
5.982713 
1 1 1 -1  31  8  o 63.02943 3.079997  853.3086       81.48385 857.1866       
116.6068 849.6078       113.9116 63.15545 4.397788 62.90342 4.313349 0.2520256 
6.159993 
1 1 1 -1  31  9  o 102.0830 2.644394  2174.696       109.2046 2407.525       
184.3133 2048.747       135.5610 106.0090 4.141285 98.15705 3.289534 7.851936 
5.288788 
1 1 1 -1  31  10 o 63.80002 3.034786  870.9515       81.19202 921.4350       
118.2337 825.9003       111.6911 65.54392 4.296649 62.05611 4.287016 3.487812 
6.069572 
1 1 1 -1  31  11 o 56.19469 3.474577  693.2476       80.35662 600.9628       
120.7353 766.6359       107.6670 52.59559 5.467717 59.79379 4.288917 -7.198193 
6.949153 
1 1 1 -1  31  12 o 25.74884 5.793430  149.8678       70.50883 140.3853       
99.58149 159.4011       99.84814 25.09590 8.211192 26.40178 8.175064 -1.305885 
11.58686 
1 1 1 -1  31  13 o 74.63319 2.969527  1197.158       92.71377 1131.488       
134.3825 1256.812       128.0787 72.59657 4.409077 76.66983 3.978995 -4.073265 
5.939054 
1 1 1 -1  31  14 o 51.95847 3.683661  575.7965       79.71332 665.9225       
122.2972 509.2243       105.1085 55.42377 5.255833 48.49316 5.162716 6.930611 
7.367321 
1 1 1 -1  31  15 o 94.65930 2.990633  1923.720       117.4889 1906.600       
179.7323 1936.494       155.2518 94.13486 4.547752 95.18374 3.885035 -1.048882 
5.981266 
1 1 1 -1  31  16 o 50.78959 3.704344  560.8480       78.49669 550.7224       
117.0441 569.1255       105.8241 50.27155 5.545595 51.30763 4.912741 -1.036079 
7.408687 
1 1 1 -1  31  17 o 34.42349 5.682799  275.2705       80.13811 308.7902       
122.6868 250.3262       105.8359 36.17461 8.256908 32.67238 7.810267 3.502224 
11.36560 
1 1 1 -1  31  18 o 44.12839 4.181467  428.3076       77.36930 417.0723       
111.2394 438.8355       107.6808 43.50753 6.089972 44.74924 5.731570 -1.241707 
8.362933 
1 1 1 -1  31  19 o 76.92931 3.191791  1277.459       102.8944 1176.211       
143.8242 1383.613       147.2662 73.74448 4.645403 80.11414 4.378397 -6.369659 
6.383583 
1 1 1 -1  31  20 o 26.98668 5.939861  170.7506       76.37919 124.2450       
110.7992 212.8608       105.4334 24.10419 8.621284 29.86918 8.173204 -5.764996 
11.87972 
1 1 1 -1  31  21 o 80.40204 3.095805  1378.827       103.3305 1523.837       
161.2267 1277.742       134.6111 83.82882 4.581045 76.97527 4.165341 6.853554 
6.191610 
1 1 1 -1  31  22 o 24.96138 6.565197  132.9054       92.62175 158.9334       
118.5241 92.07863       148.4427 26.17527 8.958189 23.74749 9.599902 2.427776 
13.13039 
1 1 1 -1  31  23 o 82.49695 3.689473  1475.650       126.7421 1323.081       
166.7781 1684.204       194.9914 77.59684 5.119363 87.39706 5.314223 -9.800224 
7.378946 
1 1 1 -1  31  24 o 45.20593 5.588088  483.1318       99.86938 476.8459       
126.1038 493.7073       163.5673 45.81503 6.556036 44.59684 9.051260 1.218185 
11.17618 
1 1 1 -1  31  25 o 30.07329 6.874554  230.7289       97.45642 232.8701       
122.7587 227.0791       160.2726 30.37288 8.997388 29.77369 10.39639 0.5991821 
13.74911 
1 1 1 -1  31  26 o 38.00543 6.418956  352.5296       98.70207 294.3401       
123.9457 453.3913       163.1821 34.11573 8.640237 41.89514 9.495172 -7.779408 
12.83791 
1 1 1 -1  31  27 o 43.70303 5.747275  463.5504       99.94577 422.6728       
128.5060 526.1336       159.0046 41.64053 7.635521 45.76552 8.592059 -4.124985 
11.49455 
1 1 1 -1  31  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  31  29 o 22.59432 6.507181  102.1332       96.49566 94.46686       
127.4991 112.4123       147.6355 21.90313 8.879373 23.28551 9.514745 -1.382381 
13.01436 
1 1 1 -1  31  30 o 29.21119 5.847596  225.1315       74.08400 238.1506       
115.7679 216.1024       96.40972 29.59871 8.728548 28.82366 7.783956 0.7750549 
11.69519 
1 1 1 -1  31  31 o 18.63811 5.554095  55.86878       73.33345 58.40754       
114.7159 54.11435       95.36338 19.15333 8.146046 18.12290 7.552073 1.030430 
11.10819 
1 1 1 -1  31  32 o 60.29979 3.551382  834.7223       88.73405 909.3421       
139.0353 783.4409       115.2599 62.18323 5.325655 58.41634 4.699643 3.766884 
7.102763 
1 1 1 -1  32  1  o 48.98247 7.379921  562.1417       151.7649 562.1417       
151.7649 0.000000       0.000000 48.98247 7.379921 ?        ?        ? ? 
1 1 1 -1  32  2  o 26.81370 6.263421  175.4240       78.72754 155.3674       
146.8216 183.5179       93.26987 26.14941 9.841600 27.47799 7.750138 -1.328579 
12.52684 
1 1 1 -1  32  3  o 51.92745 4.357217  615.4593       88.41702 579.7056       
152.9497 633.4040       108.3568 50.09025 7.273047 53.76465 4.800432 -3.674397 
8.714435 
1 1 1 -1  32  4  o 68.04380 4.084095  1057.108       102.7490 967.3429       
193.3573 1092.430       121.2915 65.00077 7.085380 71.08683 4.064079 -6.086060 
8.168191 
1 1 1 -1  32  5  o 51.26038 4.286339  569.1111       87.79406 644.5352       
152.6398 531.8237       107.3234 53.31766 6.818956 49.20311 5.195446 4.114552 
8.572679 
1 1 1 -1  32  6  o 60.50113 4.095038  784.4908       100.7092 918.0318       
169.2606 711.3060       125.3024 64.06911 6.292572 56.93315 5.242220 7.135956 
8.190076 
1 1 1 -1  32  7  o 65.43312 3.142670  925.6547       86.10912 1020.705       
124.2306 837.7603       119.4627 68.72273 4.305754 62.14351 4.578862 6.579224 
6.285339 
1 1 1 -1  32  8  o 43.31252 4.165483  411.6069       74.60953 516.8166       
110.5193 323.5106       101.1321 48.52719 5.424679 38.09783 6.322805 10.42936 
8.330967 
1 1 1 -1  32  9  o 84.86206 3.149587  1556.440       112.1568 1571.422       
161.5103 1542.487       155.8674 85.22305 4.514029 84.50108 4.393535 0.7219772 
6.299175 
1 1 1 -1  32  10 o 19.65177 5.517735  53.85478       67.59211 82.28216       
104.3596 33.31208       88.71417 21.43365 8.230700 17.86988 7.350999 3.563766 
11.03547 
1 1 1 -1  32  11 o 100.4816 2.831877  2168.125       119.0911 2181.403       
175.6781 2156.835       161.9936 100.6776 4.156293 100.2857 3.847510 0.3918457 
5.663754 
1 1 1 -1  32  12 o 45.72428 3.964534  458.9832       76.06842 476.4398       
107.8569 441.7067       107.2992 46.62354 5.510156 44.82502 5.701605 1.798512 
7.929068 
1 1 1 -1  32  13 o 27.24404 6.006842  173.7720       75.82669 184.8828       
112.5185 164.5279       102.6323 27.95323 8.682874 26.53485 8.302790 1.418381 
12.01368 
1 1 1 -1  32  14 o 123.6953 3.077185  3328.147       153.0408 3201.854       
253.1395 3400.899       192.1292 121.3214 4.969855 126.0693 3.629987 -4.747963 
6.154369 
1 1 1 -1  32  15 f 76.67284 3.052802  1269.508       97.33376 1259.550       
147.7616 1277.141       129.3667 76.25892 4.615214 77.08675 3.997273 
-0.8278351     6.105603 
1 1 1 -1  32  16 o 43.92292 4.246894  424.4300       78.04159 473.6919       
115.6240 383.2083       105.7683 46.26879 5.952248 41.57705 6.059306 4.691738 
8.493788 
1 1 1 -1  32  17 o 60.01214 3.506865  780.7700       88.01384 834.9327       
131.7137 737.0745       118.3041 61.82975 5.074047 58.19453 4.842155 3.635216 
7.013731 
1 1 1 -1  32  18 o 43.52799 4.719858  421.8678       82.11526 569.9233       
125.3093 310.4414       108.7089 50.69965 5.887074 36.35633 7.379064 14.34332 
9.439715 
1 1 1 -1  32  19 o 22.29199 5.790257  99.29453       70.47970 125.0387       
109.5151 81.09380       92.08284 23.93765 8.570234 20.64634 7.788414 3.291307 
11.58051 
1 1 1 -1  32  20 o 22.84575 5.989212  102.8366       77.31672 147.2281       
114.3628 65.46610       104.9299 25.30497 8.787192 20.38652 8.140509 4.918449 
11.97842 
1 1 1 -1  32  21 o 40.62605 4.991333  377.1502       82.50830 462.1897       
124.6075 310.7562       110.1028 45.14945 6.573743 36.10264 7.512622 9.046814 
9.982665 
1 1 1 -1  32  22 o 17.51795 5.587777  -60.47035      88.48292 -135.8101      
117.0174 40.12074       135.2130 14.26813 6.838984 20.76776 8.838626 -6.499627 
11.17555 
1 1 1 -1  32  23 o 27.22027 6.419147  180.9299       92.87255 257.1452       
122.9188 79.54072       141.7729 31.89818 8.864936 22.54237 9.286263 9.355814 
12.83829 
1 1 1 -1  32  24 o 36.15697 6.257955  333.1363       93.82651 341.7586       
124.9237 321.9777       142.1136 37.11892 8.233610 35.19502 9.426327 1.923901 
12.51591 
1 1 1 -1  32  25 o 96.62687 4.284492  2034.011       161.3771 1880.540       
192.3930 2398.265       296.4000 92.00175 4.980974 101.2520 6.972616 -9.250244 
8.568983 
1 1 1 -1  32  26 o 89.42555 3.761158  1747.706       133.0503 1650.072       
161.2985 1955.571       235.3526 86.53304 4.439863 92.31806 6.072303 -5.785027 
7.522316 
1 1 1 -1  32  27 o 54.28812 4.743597  701.8731       105.7023 842.6782       
148.2362 556.2186       150.7673 60.62606 5.823927 47.95019 7.489241 12.67587 
9.487194 
1 1 1 -1  32  28 o 31.09347 6.489957  269.3610       94.38173 332.1951       
127.3782 192.8682       140.5425 35.43744 8.629887 26.74949 9.695525 8.687950 
12.97991 
1 1 1 -1  32  29 o 42.06533 5.852799  474.8237       100.2479 611.7482       
139.6091 329.0726       144.0386 50.36945 6.601877 33.76121 9.666244 16.60825 
11.70560 
1 1 1 -1  32  30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 -1  32  31 o 35.65483 6.489842  383.0087       99.98508 451.4973       
136.1594 302.8576       147.2969 40.50302 8.293105 30.80663 9.984818 9.696386 
12.97968 
1 1 1 -1  33  1  f 22.92241 9.478092  95.27415       148.3971 95.27415       
148.3971 0.000000       0.000000 22.92241 9.478092 ?        ?        ? ? 
1 1 1 -1  33  2  o 35.01546 5.748299  313.2281       80.80066 273.0530       
141.8575 332.5217       98.30616 31.94130 9.714967 38.08961 6.147453 -6.148319 
11.49660 
1 1 1 -1  33  3  o 65.56100 3.990566  995.6204       101.6491 883.7792       
174.3872 1053.175       125.0990 61.74861 6.726799 69.37339 4.295187 -7.624783 
7.981132 
1 1 1 -1  33  4  o 42.03178 5.355954  407.8682       86.17247 464.9780       
154.4522 382.0565       103.8357 43.00302 8.857958 41.06054 6.023418 1.942478 
10.71191 
1 1 1 -1  33  5  o 59.80662 4.563084  785.8199       106.6165 904.0399       
193.9982 734.6625       127.6164 62.11680 7.438915 57.49643 5.286725 4.620369 
9.126167 
1 1 1 -1  33  6  f 52.00965 5.560227  746.7406       97.07782 411.2177       
171.1479 905.8950       117.8745 39.54964 10.23224 64.46967 4.354974 -24.92002 
11.12045 
1 1 1 -1  33  7  o 16.36117 5.186702  -25.30871      73.95209 -55.00037      
113.7265 -3.555861      97.34254 16.10349 7.380648 16.61886 7.289276 
-0.5153732     10.37340 
1 1 1 -1  33  8  o 80.02367 3.054525  1381.498       102.0877 1490.989       
154.2243 1296.106       136.1979 82.74834 4.439302 77.29901 4.196795 5.449326 
6.109049 
1 1 1 -1  33  9  o 24.65467 5.629901  129.4383       71.61010 221.7055       
105.7306 51.24462       97.33364 30.14554 8.156319 19.16380 7.762578 10.98174 
11.25980 
1 1 1 -1  33  10 o 84.46825 2.892695  1521.106       101.3046 1681.218       
158.8960 1411.454       131.4949 88.02943 4.299381 80.90706 3.871182 7.122375 
5.785389 
1 1 1 -1  33  11 o 31.72977 5.670558  238.6812       74.92213 283.3026       
116.8888 207.5652       97.60993 34.11079 8.242106 29.34875 7.790290 4.762039 
11.34112 
1 1 1 -1  33  12 o 77.69489 3.145781  1311.938       102.5663 1304.869       
147.0080 1318.643       143.1694 77.44759 4.521204 77.94217 4.375210 
-0.4945755     6.291562 
1 1 1 -1  33  13 o 20.57684 5.660529  67.33222       71.68761 113.8825       
105.4974 27.39837       97.71272 23.08519 8.396944 18.06848 7.593264 5.016712 
11.32106 
1 1 1 -1  33  14 o 62.39362 3.284175  844.9589       85.70191 890.5181       
128.0282 807.9694       115.3608 63.84405 4.776461 60.94320 4.508729 2.900852 
6.568349 
1 1 1 -1  33  15 f 38.28941 4.856181  346.0745       73.70396 302.5396       
115.9136 375.6226       95.49493 35.39780 7.988887 41.18101 5.523373 -5.783211 
9.712361 
1 1 1 -1  33  16 o 57.49992 3.664730  740.7769       86.72587 626.2473       
128.4830 836.6342       117.5436 53.02034 5.771970 61.97949 4.517229 -8.959148 
7.329461 
1 1 1 -1  33  17 o 38.30247 5.365357  343.8798       82.48621 397.4231       
127.7335 305.5795       108.0322 40.79022 7.739105 35.81472 7.433337 4.975502 
10.73071 
1 1 1 -1  33  18 o 58.71645 3.549194  755.8112       86.95332 787.3936       
131.4264 731.2241       115.9615 59.67690 5.245628 57.75600 4.782312 1.920898 
7.098389 
1 1 1 -1  33  19 o 20.41208 5.660817  65.70094       70.20161 112.9111       
111.0936 34.31715       90.57823 23.02556 8.581501 17.79861 7.384933 5.226948 
11.32163 
1 1 1 -1  33  20 o 76.93595 3.053384  1287.058       97.41121 1314.103       
150.5116 1267.564       127.7826 77.41394 4.630968 76.45796 3.980799 0.9559784 
6.106769 
1 1 1 -1  33  21 f 20.25431 6.077424  40.52882       90.01835 19.22890       
124.7761 63.64763       129.9946 19.23658 8.344610 21.27205 8.837863 -2.035467 
12.15485 
1 1 1 -1  33  22 o 20.42811 6.093202  49.68267       89.31948 66.79381       
116.9036 25.68465       138.4446 20.69677 8.463467 20.15944 8.768021 0.5373306 
12.18640 
1 1 1 -1  33  23 o 37.34846 5.804323  330.4867       94.31291 170.4178       
123.3337 555.9042       146.3599 26.15048 9.121056 48.54644 7.181016 -22.39596 
11.60865 
1 1 1 -1  33  24 o 54.08009 4.732219  693.0828       104.9779 823.0527       
145.9147 553.6269       151.1458 60.11686 5.781278 48.04332 7.493492 12.07354 
9.464438 
1 1 1 -1  33  25 o 37.66996 5.975623  391.9819       100.9242 562.2241       
135.0232 176.4544       151.9238 48.98173 6.565915 26.35818 9.986042 22.62354 
11.95125 
1 1 1 -1  33  26 o 18.49664 5.790744  3.434211       90.93581 52.58687       
125.2614 -51.33663      132.2264 19.99843 8.509055 16.99484 7.856643 3.003588 
11.58149 
1 1 1 -1  33  27 o 29.47907 6.525607  244.3176       93.72691 310.6014       
128.7296 169.5368       136.7318 33.68471 8.948689 25.27344 9.500272 8.411272 
13.05121 
1 1 1 -1  33  28 o 49.78387 5.616942  677.5582       104.7671 1043.547       
148.7801 317.5788       147.5536 67.11848 5.279879 32.44926 9.915798 34.66922 
11.23388 
1 1 1 -1  33  29 o 45.83286 5.880581  600.8921       106.1150 834.0047       
146.0950 340.5681       154.3866 58.93283 5.904717 32.73289 10.17149 26.19994 
11.76116 
1 1 1 -1  34  1  o 28.79213 7.068853  240.9876       106.6152 284.3914       
145.7018 190.9621       156.4216 31.28498 9.909780 26.29929 10.08320 4.985695 
14.13771 
1 1 1 -1  34  2  f 21.09613 6.170366  63.21127       83.33024 147.6358       
150.0760 25.58097       100.1949 24.67628 9.772411 17.51599 7.536157 7.160292 
12.34073 
1 1 1 -1  34  3  o 32.75621 5.574440  318.2953       88.23618 73.82568       
156.5607 432.0937       106.8165 22.18054 9.477477 43.33187 5.871538 -21.15134 
11.14888 
1 1 1 -1  34  4  o 25.14505 6.482164  142.9864       85.67967 216.0428       
146.7697 105.2192       105.5273 28.37262 9.944838 21.91749 8.317092 6.455132 
12.96433 
1 1 1 -1  34  5  o 70.11549 4.373373  1161.179       112.7173 1057.229       
212.1232 1202.079       133.0569 66.25727 7.625630 73.97372 4.284311 -7.716446 
8.746745 
1 1 1 -1  34  6  o 18.57460 5.799381  1.868879       89.77435 -48.22669      
140.0657 36.79780       116.9566 17.86132 8.188211 19.28787 8.214894 -1.426546 
11.59876 
1 1 1 -1  34  7  o 27.35199 6.737731  192.9525       95.43575 137.1195       
168.4973 219.3237       115.8011 25.41539 10.24693 29.28859 8.751485 -3.873201 
13.47546 
1 1 1 -1  34  8  o 36.45237 5.542322  322.2766       85.26015 460.3865       
125.3450 203.3532       116.3130 44.60516 6.693342 28.29958 8.835637 16.30559 
11.08464 
1 1 1 -1  34  9  o 19.15184 5.842939  23.31606       85.77203 38.05487       
119.5137 7.661931       123.1688 19.61943 8.328526 18.68426 8.197281 0.9351635 
11.68588 
1 1 1 -1  34  10 o 65.66660 3.524004  964.5293       95.32910 889.4963       
145.8728 1020.461       125.9436 63.03567 5.511998 68.29753 4.392301 -5.261864 
7.048008 
1 1 1 -1  34  11 o 49.23965 3.934678  529.1906       80.30030 648.2322       
125.6676 447.0437       104.3925 53.80132 5.563544 44.67798 5.565404 9.123341 
7.869355 
1 1 1 -1  34  12 o 45.75505 4.140641  468.5851       78.73708 494.1062       
121.3488 450.0279       103.4766 46.63558 6.197824 44.87453 5.492414 1.761051 
8.281282 
1 1 1 -1  34  13 o 26.14137 5.771426  169.3499       74.59731 94.04712       
115.0649 223.9470       97.97652 22.03546 8.603955 30.24728 7.694765 -8.211821 
11.54285 
1 1 1 -1  34  14 o 105.0289 3.054166  2407.129       134.4254 2424.790       
196.3764 2391.556       184.4007 105.2738 4.443138 104.7839 4.191687 0.4899216 
6.108332 
1 1 1 -1  34  15 o 118.1803 3.093091  3030.634       152.0997 3217.484       
233.6887 2893.303       200.3438 121.0722 4.597422 115.2884 4.139150 5.783791 
6.186182 
1 1 1 -1  34  16 o 15.90158 5.133708  -44.72806      76.68394 -76.29384      
114.6913 -19.20859      103.1236 15.45237 7.209877 16.35079 7.310095 
-0.8984213     10.26742 
1 1 1 -1  34  17 o 91.75310 3.062773  1818.594       115.2306 1946.050       
186.3346 1739.669       146.6302 93.97650 4.722754 89.52969 3.901013 4.446815 
6.125546 
1 1 1 -1  34  18 o 35.36333 5.426415  307.6425       77.65439 294.5633       
119.0207 317.3369       102.4685 34.23894 8.344433 36.48771 6.939336 -2.248772 
10.85283 
1 1 1 -1  34  19 o 38.37502 5.127270  359.4660       79.37624 296.9975       
118.9691 409.5850       106.5627 34.32675 8.328193 42.42328 5.983042 -8.096531 
10.25454 
1 1 1 -1  34  20 o 80.95825 3.593234  1462.298       122.1018 1463.563       
170.9231 1460.981       174.4882 81.04871 5.023145 80.86779 5.139390 0.1809158 
7.186467 
1 1 1 -1  34  21 o 75.31295 3.583329  1264.988       113.0920 1219.537       
154.3849 1317.618       166.1331 73.94146 4.973221 76.68444 5.160239 -2.742981 
7.166659 
1 1 1 -1  34  22 o 20.18813 5.962809  -69.45736      101.2444 -286.4001      
136.2673 197.8734       151.2668 12.91419 6.422755 27.46207 10.04831 -14.54788 
11.92562 
1 1 1 -1  34  23 o 40.19138 6.274537  413.8004       101.9216 362.2768       
132.1317 489.4960       160.1545 37.32846 8.602085 43.05430 9.136925 -5.725838 
12.54907 
1 1 1 -1  34  24 o 21.52571 6.084488  52.26100       91.83593 -66.05418      
123.5613 198.2831       137.2687 16.00336 7.473366 27.04805 9.603791 -11.04469 
12.16898 
1 1 1 -1  34  25 o 39.37468 5.657073  405.4440       98.19426 696.8920       
144.7444 156.9503       133.6531 54.14975 6.366878 24.59960 9.352687 29.55016 
11.31415 
1 1 1 -1  34  26 o 86.77923 5.419679  1794.016       163.7723 1693.670       
185.0566 2156.516       351.7293 85.77619 5.138767 87.78226 9.543834 -2.006073 
10.83936 
1 1 1 -1  34  27 o 38.73029 5.903966  409.5629       97.67554 600.0098       
144.2092 248.1381       132.7673 48.80453 7.038074 28.65605 9.481179 20.14848 
11.80793 
1 1 1 -1  34  28 o 23.40042 6.290701  140.8977       93.36287 239.4546       
130.1130 36.29421       134.0448 27.97213 9.385928 18.82871 8.378307 9.143417 
12.58140 
1 1 1 -1  35  1  o 18.54732 5.842996  24.24487       90.93959 78.18117       
142.2009 -13.07839      118.2910 20.53205 8.907427 16.56258 7.564399 3.969473 
11.68599 
1 1 1 -1  35  2  o 29.40784 6.273647  262.4023       90.66573 161.2354       
142.9355 330.5104       117.2790 24.02603 9.530088 34.78965 8.161616 -10.76362 
12.54729 
1 1 1 -1  35  3  o 22.37820 6.339877  79.72369       87.60664 241.3778       
157.9612 7.911679       105.2824 28.00264 10.26609 16.75376 7.442013 11.24889 
12.67975 
1 1 1 -1  35  4  o 31.65755 5.704246  291.1744       94.65987 60.00613       
152.8443 435.0114       120.5648 20.99270 9.171308 42.32240 6.785336 -21.32970 
11.40849 
1 1 1 -1  35  5  o 58.22588 4.506765  816.4246       102.1951 754.7338       
175.4055 848.1266       125.7409 55.16251 7.573912 61.28925 4.886673 -6.126740 
9.013530 
1 1 1 -1  35  6  o 31.95183 6.169673  301.8897       96.55774 117.2962       
163.9429 399.9330       119.4794 23.75829 9.901296 40.14538 7.363683 -16.38709 
12.33935 
1 1 1 -1  35  7  o 24.12584 6.692376  135.7101       99.84494 100.3929       
152.2656 162.3507       132.2456 22.95023 9.551920 25.30145 9.376162 -2.351225 
13.38475 
1 1 1 -1  35  8  o 18.08500 5.553340  -22.47367      81.56121 104.9972       
127.2844 -111.2743      106.2375 22.48051 8.969207 13.68948 6.550702 8.791029 
11.10668 
1 1 1 -1  35  9  o 62.85416 3.621376  888.5439       95.39037 860.9396       
137.4992 914.1570       132.4473 61.76360 5.302599 63.94474 4.933547 -2.181141 
7.242751 
1 1 1 -1  35  10 o 47.73815 4.703227  524.3015       92.98360 657.8871       
141.0034 421.5092       123.6887 53.27855 6.303739 42.19776 6.981708 11.08078 
9.406453 
1 1 1 -1  35  11 o 21.74616 6.157185  67.03870       89.77683 169.2610       
134.4180 -15.28266      120.6260 25.98368 9.475616 17.50865 7.864884 8.475023 
12.31437 
1 1 1 -1  35  12 f 74.71654 3.462754  1268.412       105.0072 1123.772       
164.8890 1367.093       136.1962 70.41858 5.577319 79.01450 4.105626 -8.595924 
6.925507 
1 1 1 -1  35  13 o 50.40755 3.990786  568.9744       83.81144 641.6000       
128.6093 515.3647       110.4965 53.07967 5.771187 47.73542 5.513519 5.344250 
7.981572 
1 1 1 -1  35  14 o 20.81416 5.802446  70.13643       74.26179 138.0711       
119.7000 27.62703       94.68710 24.15065 8.926211 17.47768 7.415948 6.672970 
11.60489 
1 1 1 -1  35  15 o 18.16401 5.507543  21.12751       75.79943 57.92921       
111.0663 -10.95758      103.7051 19.80855 8.195692 16.51948 7.359535 3.289070 
11.01509 
1 1 1 -1  35  16 o 66.20934 3.345525  976.2410       92.09853 951.2971       
138.9636 995.7795       122.9885 65.17706 5.078406 67.24162 4.356597 -2.064560 
6.691050 
1 1 1 -1  35  17 f 16.65867 5.241418  -7.356936      73.70558 -29.08257      
111.8737 9.305655       97.97453 16.44745 7.467838 16.86989 7.356716 
-0.4224415     10.48284 
1 1 1 -1  35  18 o 34.63974 5.726269  303.5415       80.93397 314.2092       
126.0823 296.0652       105.5509 34.73484 8.664946 34.54465 7.488614 0.1901894 
11.45254 
1 1 1 -1  35  19 o 57.05367 3.812904  743.7321       89.34896 706.7343       
139.0463 769.7535       116.6108 55.34320 5.984340 58.76413 4.726586 -3.420933 
7.625808 
1 1 1 -1  35  20 o 45.61873 4.721782  493.0674       90.38475 509.2643       
127.7672 476.8420       127.8796 46.46774 6.549209 44.76973 6.803584 1.698006 
9.443563 
1 1 1 -1  35  21 o 71.32829 3.791655  1160.318       113.2118 1155.035       
154.3494 1166.469       166.5580 71.37271 5.151026 71.28387 5.565385 
0.8883667E-01  7.583309 
1 1 1 -1  35  22 o 17.21051 5.521489  -34.73715      88.34043 43.99889       
128.1771 -105.9759      121.9219 19.59730 8.478689 14.82372 7.075252 4.773573 
11.04298 
1 1 1 -1  35  23 o 18.87891 5.952440  18.65259       95.79070 30.10738       
133.4504 6.477695       137.5811 19.16381 8.462378 18.59401 8.373430 0.5697994 
11.90488 
1 1 1 -1  35  24 o 22.67355 5.836111  84.49566       91.36123 265.5179       
126.2030 -114.8325      132.4305 30.26405 9.154977 15.08306 7.240661 15.18099 
11.67222 
1 1 1 -1  35  25 o 19.68533 6.009688  32.91603       95.02654 -63.83501      
127.8402 152.3823       142.0569 15.79954 7.429948 23.57111 9.447818 -7.771571 
12.01938 
1 1 1 -1  35  26 o 23.16684 6.213726  134.1365       89.54973 234.8663       
128.9360 40.26825       124.4671 27.74879 9.343379 18.58489 8.194073 9.163893 
12.42745 
1 1 1 -1  36  4  o 19.00352 5.826533  43.44932       91.81499 -71.93309      
150.3560 112.0589       115.9426 16.74000 7.938521 21.26703 8.530757 -4.527023 
11.65307 
1 1 1 -1  36  5  o 34.47894 6.854403  341.5244       99.02586 449.6469       
171.5419 287.4859       121.2729 37.45925 10.49284 31.49862 8.822226 5.960623 
13.70881 
1 1 1 -1  36  6  o 22.20586 6.442963  119.0816       91.60921 115.2260       
170.0886 120.6572       108.7268 22.62690 9.777916 21.78482 8.392820 0.8420868 
12.88593 
1 1 1 -1  36  7  o 32.90125 6.972937  302.6319       101.8145 450.6564       
172.0515 222.8601       126.3037 38.17139 10.43891 27.63112 9.247514 10.54027 
13.94587 
1 1 1 -1  36  8  o 31.66650 6.865952  274.6421       103.9489 448.3553       
165.7520 162.0315       133.4542 38.88210 10.07438 24.45091 9.331238 14.43119 
13.73190 
1 1 1 -1  36  9  o 29.16272 6.328903  238.8743       87.07064 186.6360       
125.3971 287.5085       120.9939 25.96432 9.183123 32.36112 8.711505 -6.396801 
12.65781 
1 1 1 -1  36  10 o 23.93081 6.276356  140.7317       88.77970 64.08762       
128.3041 211.1383       122.9724 20.28245 8.620300 27.57917 9.124745 -7.296717 
12.55271 
1 1 1 -1  36  11 o 38.52308 5.733017  411.1077       96.38690 183.6183       
140.2146 614.9204       132.7175 25.99476 9.650243 51.05140 6.192154 -25.05664 
11.46603 
1 1 1 -1  36  12 o 72.91705 4.037269  1231.414       123.5794 1256.604       
175.9722 1206.903       173.5876 73.67735 5.688938 72.15676 5.730107 1.520584 
8.074537 
1 1 1 -1  36  13 o 43.46288 5.742341  475.5993       101.6402 616.3270       
152.8746 364.1092       136.0704 50.19038 7.254973 36.73538 8.902993 13.45501 
11.48468 
1 1 1 -1  36  14 o 24.06568 6.519159  141.6063       94.74340 89.34969       
138.6529 187.3769       129.7633 21.81353 9.099169 26.31782 9.338246 -4.504288 
13.03832 
1 1 1 -1  36  15 o 34.70415 5.807307  308.9918       84.98596 433.2279       
128.2756 211.7964       113.4600 41.39575 7.668999 28.01256 8.722713 13.38320 
11.61461 
1 1 1 -1  36  16 o 72.02058 3.370031  1170.929       101.3949 1129.341       
149.0745 1206.732       138.3170 70.54613 5.033281 73.49503 4.482690 -2.948898 
6.740062 
1 1 1 -1  36  17 o 17.75361 5.529600  -16.74956      80.47614 95.38482       
130.0908 -86.26360      102.4268 21.67815 8.906965 13.82906 6.555294 7.849084 
11.05920 
1 1 1 -1  36  18 o 32.51515 6.084817  273.7688       84.53473 384.1447       
134.5261 201.7435       108.6706 37.76493 8.664084 27.26537 8.545971 10.49956 
12.16963 
1 1 1 -1  36  19 o 26.41448 6.780061  197.8219       99.59471 245.1550       
136.5615 144.0412       145.5657 28.98445 9.615702 23.84451 9.561130 5.139948 
13.56012 
1 1 1 -1  36  20 o 25.61239 6.478482  183.2977       88.27928 158.6248       
120.0242 212.3759       130.2994 24.17752 8.937860 27.04727 9.380703 -2.869755 
12.95696 
1 1 1 -1  36  21 o 16.80450 5.421881  -18.71408      85.84133 19.23993       
121.6236 -56.38777      121.1736 17.94340 7.982633 15.66560 7.339262 2.277804 
10.84376 
1 1 1 -1  36  22 o 42.40942 5.491793  472.2258       95.17580 551.0535       
138.4595 401.6154       131.0442 46.67467 7.065822 38.14416 8.409121 8.530510 
10.98359 
1 1 1 -1  36  23 o 47.45507 5.283329  583.3351       100.8921 716.5394       
147.1335 465.1111       138.6134 53.78001 6.516458 41.13013 8.318055 12.64989 
10.56666 
1 1 1 -1  37  9  o 23.10799 6.143952  125.4271       86.89568 247.4418       
131.2329 30.16338       115.9579 28.37197 9.426235 17.84401 7.882810 10.52796 
12.28790 
1 1 1 -1  37  10 o 18.52616 5.784941  35.71120       88.28864 64.52649       
128.9400 10.27570       121.1424 19.62734 8.497948 17.42499 7.851564 2.202353 
11.56988 
1 1 1 -1  37  11 o 33.99869 6.369020  336.9514       92.33923 335.9702       
132.6427 337.8739       128.6248 33.79060 9.132438 34.20677 8.880104 
-0.4161644     12.73804 
1 1 1 -1  37  12 f 20.30140 5.959693  64.14686       89.87061 -36.32685      
125.8779 168.6069       128.3507 16.35845 7.601888 24.24435 9.180581 -7.885893 
11.91939 
1 1 1 -1  37  13 o 30.08123 6.708519  270.3705       93.91929 318.9588       
144.4940 234.8256       123.5870 32.06573 9.815286 28.09674 9.147518 3.968985 
13.41704 
1 1 1 -1  37  14 o 30.40850 6.694809  280.3924       97.75826 355.3559       
139.3655 207.7795       137.1630 34.60981 9.364224 26.20719 9.570434 8.402626 
13.38962 
1 1 1 -1  37  15 o 19.76503 5.999005  66.24252       89.50555 92.47530       
129.4909 42.24282       123.8569 20.81305 8.743695 18.71701 8.215840 2.096043 
11.99801 
1 1 1 -1  37  16 o 21.75817 5.776719  69.63400       87.27400 -98.87190      
121.2869 250.5628       125.6783 14.57146 6.979125 28.94487 9.207265 -14.37342 
11.55344 
1 1 1 -1  37  17 o 44.53876 4.886865  499.4187       91.27234 530.9395       
130.9475 469.6353       127.2875 46.05161 6.772882 43.02591 7.046551 3.025692 
9.773730 
1 1 1 -1  37  18 o 31.84230 7.079037  315.1564       105.0659 262.7180       
138.2265 386.9063       161.6879 29.01632 9.674144 34.66828 10.33741 -5.651958 
14.15807 
1 1 1 -1  37  19 o 28.38652 6.963753  242.4478       105.0697 148.2496       
139.2556 366.9516       160.0966 23.18365 9.328548 33.58940 10.34184 -10.40575 
13.92751 
1 1 1 0   -34 1  o 43.03476 4.090127  425.4438       72.52206 556.8842       
112.3207 331.4719       94.97177 48.82783 5.479155 37.24169 6.074160 11.58614 
8.180254 
1 1 1 0   -34 2  o 13.45745 4.429009  -50.64041      58.42587 -2.028208      
95.40240 -79.81422      73.90661 15.59646 7.000447 11.31844 5.427545 4.278025 
8.858019 
1 1 1 0   -34 3  o 40.04477 4.300750  392.7106       67.58959 533.1509       
98.76562 269.0035       92.69516 47.98115 4.902936 32.10838 7.067320 15.87277 
8.601500 
1 1 1 0   -33 1  o 26.92002 5.522070  179.6176       66.79483 234.2136       
100.5491 136.4946       89.36176 30.33596 7.840208 23.50408 7.778444 6.831888 
11.04414 
1 1 1 0   -33 2  f 23.31705 4.680037  92.47872       60.74884 271.4457       
94.55347 -33.32536      79.27540 33.08217 7.020419 13.55194 6.190694 19.53023 
9.360073 
1 1 1 0   -33 3  o 21.93377 4.918947  120.5800       56.87238 40.94916       
87.96632 177.7705       74.54829 17.25158 7.225171 26.61596 6.676906 -9.364382 
9.837894 
1 1 1 0   -33 4  o 26.85365 4.930131  192.3938       58.00046 135.4948       
86.74377 238.4015       78.00109 22.66424 7.663656 31.04306 6.204284 -8.378822 
9.860262 
1 1 1 0   -33 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -32 1  o 38.21732 4.260938  330.8268       66.41251 392.4000       
100.4696 283.0436       88.50668 41.68122 5.741365 34.75343 6.297546 6.927792 
8.521875 
1 1 1 0   -32 2  o 19.90602 5.296234  81.74867       60.01688 69.52014       
93.70232 90.25516       78.15172 19.57721 7.731699 20.23484 7.240249 
-0.6576347     10.59247 
1 1 1 0   -32 3  f 17.11576 4.938866  41.50254       56.18395 20.77255       
88.20062 55.65808       72.88454 16.66282 7.116494 17.56869 6.850189 
-0.9058704     9.877731 
1 1 1 0   -32 4  o 14.67691 4.559824  -14.20938      54.33428 39.29817       
85.10120 -51.03122      70.59612 17.24983 7.157764 12.10399 5.651054 5.145840 
9.119649 
1 1 1 0   -32 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -32 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -32 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -31 1  o 53.38171 3.382840  624.2538       75.50491 698.0726       
108.2279 554.2573       105.3888 56.55955 4.557792 50.20387 5.000096 6.355686 
6.765680 
1 1 1 0   -31 2  o 67.78728 2.961232  984.0415       83.18571 1234.554       
125.5712 788.1259       111.0477 75.48306 3.962432 60.09150 4.401672 15.39156 
5.922464 
1 1 1 0   -31 3  o 27.46881 5.083499  183.3999       59.55633 165.4730       
85.73551 200.1170       82.79230 26.07303 7.455224 28.86458 6.912849 -2.791546 
10.16700 
1 1 1 0   -31 4  o 24.97662 5.113565  150.5191       56.37130 166.7042       
85.32070 137.9805       75.09656 26.04632 7.433853 23.90692 7.023676 2.139400 
10.22713 
1 1 1 0   -31 5  o 40.11059 8.036558  403.0434       130.5596 403.0434       
130.5596 0.000000       0.000000 40.11059 8.036558 ?        ?        ? ? 
1 1 1 0   -31 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -31 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -31 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -30 1  o 64.00694 3.075710  900.5677       80.71722 978.0007       
106.5322 796.2001       123.6804 67.52465 3.757852 60.48924 4.870167 7.035412 
6.151421 
1 1 1 0   -30 2  o 50.46810 3.451253  551.3889       72.71407 514.3741       
96.78078 599.3664       110.1846 48.59313 4.743898 52.34306 5.013983 -3.749931 
6.902506 
1 1 1 0   -30 3  o 60.19067 3.076950  792.9634       76.07573 820.1080       
99.04391 753.9050       118.8073 61.68590 3.824397 58.69545 4.821252 2.990452 
6.153900 
1 1 1 0   -30 4  o 46.28824 3.399481  459.8821       65.10405 367.5108       
85.72166 585.7861       100.0787 40.83541 5.000054 51.74107 4.607098 -10.90567 
6.798962 
1 1 1 0   -30 5  o 41.23251 3.584238  379.9199       60.78650 468.7211       
86.68359 294.0030       85.26418 46.26072 4.463192 36.20430 5.609543 10.05641 
7.168477 
1 1 1 0   -30 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -30 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 1  o 22.03473 5.367318  101.7154       60.30900 89.80135       
82.91793 115.0974       87.87762 21.05828 7.465458 23.01119 7.713581 -1.952909 
10.73464 
1 1 1 0   -29 2  o 35.00734 4.461622  278.1796       62.59782 291.1777       
81.44091 259.4138       97.85569 36.56163 5.305644 33.45306 7.174567 3.108574 
8.923244 
1 1 1 0   -29 3  o 28.27901 4.994395  186.5509       58.96468 183.8119       
79.63425 189.8751       87.72959 28.11512 6.809059 28.44289 7.308396 
-0.3277683     9.988791 
1 1 1 0   -29 4  f 22.39222 5.143640  109.5435       55.94342 80.98920       
75.21344 144.9023       83.69662 19.88846 7.104183 24.89598 7.440342 -5.007523 
10.28728 
1 1 1 0   -29 5  o 29.27783 4.546983  197.2591       56.03035 139.0289       
77.84837 259.8438       80.70666 24.32758 7.152464 34.22808 5.616269 -9.900503 
9.093966 
1 1 1 0   -29 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 1  o 99.03059 2.561280  2078.114       105.4918 2042.195       
139.4187 2126.221       161.3480 98.10855 3.384816 99.95262 3.844949 -1.844070 
5.122559 
1 1 1 0   -28 2  o 14.68637 4.525076  -10.70752      52.69807 6.027357       
76.07014 -26.14961      73.07284 15.58978 6.632059 13.78295 6.158007 1.806833 
9.050152 
1 1 1 0   -28 3  o 56.82317 2.716091  689.3720       64.78719 694.1206       
92.51407 684.8020       90.75703 57.00911 3.865312 56.63724 3.816799 0.3718758 
5.432181 
1 1 1 0   -28 4  o 81.84920 2.567645  1428.491       88.16757 1357.669       
122.4155 1504.827       127.0914 79.73415 3.656902 83.96424 3.605312 -4.230087 
5.135290 
1 1 1 0   -28 5  o 14.62845 4.238266  -17.31338      47.45360 68.83167       
69.72340 -91.65125      64.76918 18.82192 6.828317 10.43497 5.022520 8.386957 
8.476533 
1 1 1 0   -28 6  o 63.56422 2.493142  867.9772       66.28407 939.2171       
92.87320 794.0148       94.63118 66.29661 3.336723 60.83183 3.705309 5.464779 
4.986285 
1 1 1 0   -28 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 1  o 88.83037 2.891708  1645.304       99.23350 1598.915       
118.2505 1755.753       182.4639 86.94851 3.239379 90.71223 4.791066 -3.763718 
5.783415 
1 1 1 0   -27 2  o 108.2950 2.895123  2444.803       120.9741 2371.164       
143.9702 2621.685       223.1313 105.8417 3.239939 110.7483 4.798932 -4.906609 
5.790246 
1 1 1 0   -27 3  o 58.01543 2.791735  712.2993       67.41193 853.1765       
99.17459 591.3069       91.90915 63.36084 3.728212 52.67001 4.156391 10.69083 
5.583471 
1 1 1 0   -27 4  o 96.52399 2.617183  1982.574       105.9158 1848.673       
148.4833 2121.286       151.1269 93.17210 3.795882 99.87587 3.604146 -6.703773 
5.234366 
1 1 1 0   -27 5  o 37.61170 3.304049  303.1292       51.92450 347.1076       
75.84399 264.3312       71.23699 40.20361 4.493422 35.01979 4.845216 5.183826 
6.608098 
1 1 1 0   -27 6  o 51.21809 2.558657  558.4898       54.75765 487.0060       
75.48726 637.8761       79.55042 47.73244 3.766874 54.70374 3.463750 -6.971291 
5.117314 
1 1 1 0   -27 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 1  o 51.86073 3.066819  565.3167       63.40949 554.0264       
77.91372 587.4633       109.1225 51.18335 3.625820 52.53810 4.947216 -1.354748 
6.133638 
1 1 1 0   -26 2  o 23.82848 4.280996  116.3161       45.03018 60.15622       
58.61117 197.2200       70.34802 17.79994 6.279972 29.85701 5.819765 -12.05707 
8.561992 
1 1 1 0   -26 3  o 57.74071 2.293174  709.0011       55.00552 831.3871       
78.12746 588.7097       77.45599 62.74435 2.965857 52.73706 3.498325 10.00729 
4.586347 
1 1 1 0   -26 4  o 59.09256 2.483704  760.0470       57.85261 804.1893       
71.76856 678.1419       97.76035 61.71387 2.769954 56.47125 4.123409 5.242622 
4.967408 
1 1 1 0   -26 5  o 15.97295 4.451297  33.04380       43.97249 39.64487       
63.23397 26.86269       61.18940 16.49329 6.390899 15.45261 6.197788 1.040680 
8.902594 
1 1 1 0   -26 6  o 40.31873 4.191152  347.2280       70.94458 347.2280       
70.94458 0.000000       0.000000 40.31873 4.191152 ?        ?        ? ? 
1 1 1 0   -26 7  o 55.88914 2.412400  661.2972       56.44287 623.6689       
76.36544 706.6039       83.79550 54.15664 3.358662 57.62165 3.463826 -3.465015 
4.824800 
1 1 1 0   -26 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 1  o 84.83388 2.163020  1515.980       76.46370 1508.547       
101.9785 1525.525       115.5631 84.61752 2.870578 85.05025 3.236418 
-0.4327316     4.326040 
1 1 1 0   -25 2  f 52.05330 2.401667  573.9556       51.86679 585.2873       
68.68543 558.9205       79.11723 52.67738 3.105715 51.42921 3.664226 1.248169 
4.803334 
1 1 1 0   -25 3  o 80.17870 2.137327  1365.497       71.44648 1498.436       
99.00472 1221.031       103.2074 84.30740 2.797121 76.05000 3.232457 8.257401 
4.274654 
1 1 1 0   -25 4  o 63.75201 2.116985  856.8029       56.38976 976.0422       
81.46554 747.1190       78.13313 68.02135 2.852658 59.48267 3.128714 8.538685 
4.233971 
1 1 1 0   -25 5  o 11.42354 3.525138  -15.49030      33.46865 -49.90050      
50.01879 12.40562       45.03601 10.05044 4.709799 12.79664 5.246350 -2.746196 
7.050276 
1 1 1 0   -25 6  o 69.40230 2.183905  985.4335       61.51485 898.7449       
76.34741 1145.854       103.8588 65.23928 2.787444 73.56532 3.362725 -8.326042 
4.367811 
1 1 1 0   -25 7  o 88.52509 2.289852  1665.492       84.56428 1711.623       
114.3121 1609.731       125.6782 89.93451 3.027520 87.11568 3.436248 2.818832 
4.579703 
1 1 1 0   -25 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -25 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 1  o 77.50903 2.087067  1264.421       67.87643 1274.625       
97.83017 1254.950       94.25327 77.80717 2.994844 77.21088 2.907629 0.5962830 
4.174134 
1 1 1 0   -24 2  o 69.36896 2.087356  1016.412       60.55410 1054.413       
83.04214 973.2623       88.49011 70.76935 2.794953 67.96857 3.101042 2.800774 
4.174712 
1 1 1 0   -24 3  o 66.20000 2.211524  919.5059       60.63180 898.7234       
79.06934 949.1675       94.46200 65.31676 2.883397 67.08324 3.354008 -1.766479 
4.423048 
1 1 1 0   -24 4  o 52.38232 2.347259  581.7372       51.33229 645.3544       
72.08727 516.2962       73.11327 55.31847 3.103913 49.44616 3.521962 5.872311 
4.694517 
1 1 1 0   -24 5  o 77.62104 2.036035  1271.594       65.26322 1276.924       
85.06020 1263.964       101.7612 77.85077 2.602463 77.39131 3.131923 0.4594574 
4.072070 
1 1 1 0   -24 6  o 56.93522 2.156930  685.5114       51.32880 698.2282       
69.76236 670.5015       75.79167 57.52841 2.888417 56.34204 3.204129 1.186371 
4.313861 
1 1 1 0   -24 7  o 25.86747 3.400621  154.9482       35.75619 254.2917       
50.86651 57.91129       50.27250 34.66069 3.495552 17.07425 5.834211 17.58644 
6.801243 
1 1 1 0   -24 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -24 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 1  o 70.70769 2.174976  1049.346       64.32716 1020.307       
86.80942 1084.710       95.79803 69.63208 2.969467 71.78329 3.178735 -2.151215 
4.349953 
1 1 1 0   -23 2  o 52.85739 2.182633  589.6854       48.28479 637.5956       
67.88647 540.6335       68.69062 55.04293 2.937668 50.67186 3.228878 4.371075 
4.365266 
1 1 1 0   -23 3  o 14.22354 3.928047  9.319880       36.88777 -30.88960      
49.66641 58.78745       55.08823 10.88856 4.952355 17.55852 6.098557 -6.669961 
7.856094 
1 1 1 0   -23 4  o 33.34547 2.925325  235.9277       40.76339 254.9782       
56.71030 215.5627       58.63411 34.75664 3.886380 31.93430 4.373347 2.822336 
5.850651 
1 1 1 0   -23 5  o 44.70910 2.396648  421.8301       44.94924 427.5291       
62.56943 415.7523       64.61559 45.02625 3.309920 44.39194 3.467003 0.6343155 
4.793295 
1 1 1 0   -23 6  o 104.2006 1.968792  2276.840       85.92278 2471.760       
126.7076 2110.901       116.9093 108.3093 2.786493 100.0919 2.782090 8.217369 
3.937584 
1 1 1 0   -23 7  o 26.84817 3.334773  157.7756       36.02763 204.0801       
51.59724 113.7213       50.32800 31.04655 3.958532 22.64979 5.367761 8.396763 
6.669545 
1 1 1 0   -23 8  o 15.40105 3.820736  43.41838       31.33397 24.80912       
44.79372 61.24957       43.84729 13.73389 5.367103 17.06821 5.439329 -3.334320 
7.641472 
1 1 1 0   -23 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -23 20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 1  o 57.14985 2.199589  704.6010       51.45226 831.2457       
70.14907 557.1356       75.69609 62.86745 2.657768 51.43225 3.505573 11.43520 
4.399179 
1 1 1 0   -22 2  o 108.3589 1.969606  2468.582       89.55106 2507.629       
129.2509 2432.532       124.1893 109.1798 2.819762 107.5381 2.750697 1.641670 
3.939212 
1 1 1 0   -22 3  o 47.04641 2.325659  464.4919       45.32118 456.9847       
59.21074 475.1125       70.42599 46.59954 3.026495 47.49328 3.532010 
-0.8937454     4.651319 
1 1 1 0   -22 4  o 53.17606 2.569472  594.6224       57.28431 618.2792       
83.74516 573.8199       78.53055 54.16528 3.682644 52.18685 3.584253 1.978432 
5.138943 
1 1 1 0   -22 5  o 114.3578 1.820257  2732.509       86.37256 2868.122       
134.0744 2636.301       112.9281 116.7516 2.735295 111.9640 2.402396 4.787605 
3.640515 
1 1 1 0   -22 6  o 176.8163 2.230168  6605.471       163.2650 6703.731       
214.7207 6470.808       251.3696 178.4353 2.866251 175.1972 3.417486 3.238174 
4.460337 
1 1 1 0   -22 7  o 54.54250 2.153558  625.8011       49.26273 589.4797       
68.12909 665.6003       71.31618 52.88535 3.068444 56.19966 3.022564 -3.314304 
4.307115 
1 1 1 0   -22 8  o 118.5581 1.845604  2920.450       90.01540 3156.379       
144.6496 2771.342       114.9946 122.3797 2.815328 114.7364 2.387247 7.643250 
3.691209 
1 1 1 0   -22 9  o 119.4057 2.249433  3000.987       111.4488 2951.228       
146.2747 3069.847       172.0745 118.2782 2.945679 120.5332 3.400407 -2.254921 
4.498866 
1 1 1 0   -22 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 11 o 125.5696 4.323362  3403.508       227.0967 3421.276       
335.9687 3388.561       308.1571 125.7245 6.365020 125.4146 5.852551 0.3099518 
8.646724 
1 1 1 0   -22 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -22 16 o 68.35144 2.625400  1004.641       75.26617 1000.074       
104.0820 1009.647       108.9711 68.22323 3.633829 68.47965 3.790276 
-0.2564240     5.250801 
1 1 1 0   -22 17 o 38.16964 3.232843  337.5530       47.08256 267.6171       
80.73930 373.5896       57.95708 34.62109 5.554760 41.71819 3.309041 -7.097103 
6.465687 
1 1 1 0   -22 18 o 42.00909 3.628027  380.9558       56.97385 422.3849       
110.9247 366.1097       66.40202 42.97245 6.148358 41.04573 3.853314 1.926727 
7.256055 
1 1 1 0   -22 19 o 12.93839 4.123958  -32.21243      50.39671 -190.4768      
101.7984 19.16938       58.00348 11.71120 5.768042 14.16558 5.895575 -2.454378 
8.247915 
1 1 1 0   -22 20 o 26.12080 5.266714  133.0573       53.85693 287.4266       
115.3141 89.99016       60.90805 32.80380 8.349494 19.43781 6.421763 13.36599 
10.53343 
1 1 1 0   -22 21 o 19.57365 5.055208  96.11879       53.96938 24.03809       
117.6248 115.3398       60.74035 17.77583 7.884829 21.37146 6.328506 -3.595631 
10.11042 
1 1 1 0   -21 1  o 104.8168 2.027741  2314.849       88.94531 2358.976       
121.6881 2264.231       130.3316 105.9012 2.736959 103.7323 2.992655 2.168839 
4.055481 
1 1 1 0   -21 2  o 64.63557 2.068775  892.5682       54.85938 953.9006       
71.91789 807.2169       84.83918 67.35052 2.543414 61.92062 3.263489 5.429901 
4.137550 
1 1 1 0   -21 3  o 203.8049 2.411347  8598.174       176.4518 9035.011       
363.7058 8463.707       201.7904 206.9700 4.185659 200.6398 2.395545 6.330200 
4.822694 
1 1 1 0   -21 4  o 137.0317 2.088041  3948.270       119.9532 4000.442       
174.8914 3901.926       164.8338 137.8784 3.021295 136.1851 2.882956 1.693359 
4.176082 
1 1 1 0   -21 5  o 26.47928 3.312817  153.9179       34.90929 93.36804       
48.31067 220.0813       50.50047 20.64052 5.481427 32.31804 3.721958 -11.67752 
6.625633 
1 1 1 0   -21 6  o 15.05487 3.892083  38.44004       32.10338 42.41094       
46.30756 34.76554       44.54576 15.47586 5.569694 14.63387 5.437991 0.8419905 
7.784165 
1 1 1 0   -21 7  o 78.67552 2.066770  1280.482       66.89350 1198.088       
85.27921 1412.262       107.8496 75.45892 2.691867 81.89211 3.136878 -6.433189 
4.133540 
1 1 1 0   -21 8  o 99.45004 2.100540  2082.991       87.68338 2074.789       
122.6021 2091.581       125.4531 99.25282 2.942226 99.64725 2.998729 
-0.3944244     4.201079 
1 1 1 0   -21 9  o 98.83261 2.164074  2063.601       89.47751 2266.971       
126.7119 1861.327       126.3694 103.7201 2.909883 93.94512 3.203973 9.774979 
4.328147 
1 1 1 0   -21 10 o 85.47356 1.821440  1498.357       62.23297 1670.252       
108.1625 1413.291       76.08907 89.00159 2.894676 81.94553 2.211659 7.056068 
3.642881 
1 1 1 0   -21 11 o 118.4541 2.007411  2964.123       99.68903 2827.210       
142.3848 3095.767       139.6190 115.7483 2.930017 121.1599 2.744776 -5.411613 
4.014822 
1 1 1 0   -21 12 o 34.92290 2.555808  266.6203       36.04861 188.4568       
51.96435 339.1319       50.05037 29.77888 4.156408 40.06692 2.975380 -10.28804 
5.111615 
1 1 1 0   -21 13 o 66.23888 2.428214  924.7313       66.38995 960.5759       
104.7275 900.6483       85.84279 67.25026 3.709263 65.22751 3.134686 2.022751 
4.856428 
1 1 1 0   -21 14 o 65.63348 2.507229  923.8504       68.45545 835.3339       
100.5424 1000.345       93.46573 62.60851 3.825050 68.65846 3.242496 -6.049953 
5.014458 
1 1 1 0   -21 15 o 54.40976 2.279210  630.8425       50.06462 624.2913       
82.80646 634.6169       62.85334 54.08971 3.646453 54.72981 2.735430 
-0.6400948     4.558420 
1 1 1 0   -21 16 o 92.85472 3.166947  1878.922       106.9913 1830.499       
211.1430 1895.652       124.1042 91.36150 5.504712 94.34795 3.133106 -2.986458 
6.333894 
1 1 1 0   -21 17 o 53.21659 3.276239  595.9507       60.02937 653.7318       
131.7622 580.8163       67.43430 54.25784 5.784283 52.17535 3.078482 2.082493 
6.552479 
1 1 1 0   -21 18 o 51.38350 3.839140  578.0631       68.68928 603.1335       
146.0038 570.9370       77.84193 51.28247 6.781351 51.48453 3.601289 
-0.2020531     7.678281 
1 1 1 0   -21 19 o 22.52946 5.453459  113.7600       57.33077 126.0094       
111.0495 109.3088       66.94157 23.49982 8.608459 21.55911 6.697412 1.940708 
10.90692 
1 1 1 0   -21 20 o 32.65223 4.924773  231.4032       60.70186 344.7784       
115.2461 187.8732       71.41044 37.27022 7.628310 28.03425 6.230766 9.235975 
9.849546 
1 1 1 0   -21 21 o 21.80838 5.229168  56.62852       58.62526 247.5275       
114.2347 -11.62578      68.30638 30.25013 8.591561 13.36663 5.963377 16.88350 
10.45834 
1 1 1 0   -21 22 o 28.67796 5.026779  251.1124       64.59357 100.7420       
127.5181 303.0124       74.91595 21.12883 8.764255 36.22708 4.925633 -15.09825 
10.05356 
1 1 1 0   -20 1  o 88.31178 1.931595  1627.234       70.85166 1558.225       
92.79145 1723.722       109.7218 86.09247 2.567225 90.53111 2.886797 -4.438637 
3.863190 
1 1 1 0   -20 2  o 83.06352 1.988325  1442.178       68.46920 1397.029       
89.36960 1506.340       106.5371 81.51042 2.611546 84.61663 2.998930 -3.106209 
3.976651 
1 1 1 0   -20 3  o 171.3810 2.459479  6192.003       176.7187 6030.420       
254.6485 6342.113       245.4416 169.2050 3.584669 173.5571 3.368426 -4.352097 
4.918958 
1 1 1 0   -20 4  o 59.85707 1.996193  758.7719       49.82746 821.5087       
68.64260 688.8932       72.44433 62.49914 2.616018 57.21500 3.015890 5.284134 
3.992386 
1 1 1 0   -20 5  o 152.0378 2.702772  4876.580       171.6960 4924.167       
232.3849 4819.375       254.7883 152.8863 3.620432 151.1892 4.014024 1.697128 
5.405545 
1 1 1 0   -20 6  o 142.9465 2.287830  4303.959       137.2219 4429.759       
192.9048 4175.097       195.2383 145.0706 3.167268 140.8224 3.302284 4.248230 
4.575660 
1 1 1 0   -20 7  o 47.40185 2.387245  488.2285       45.99905 584.4532       
62.37619 373.5147       68.10573 52.70773 2.818809 42.09597 3.853579 10.61176 
4.774490 
1 1 1 0   -20 8  o 29.79432 3.133473  195.7736       36.66709 254.4855       
51.49049 135.3689       52.22755 34.75380 3.528952 24.83485 5.178910 9.918957 
6.266945 
1 1 1 0   -20 9  o 139.6491 2.610078  4080.877       150.1169 4275.528       
238.9578 3953.974       192.9425 142.3215 3.999189 136.9768 3.355072 5.344620 
5.220156 
1 1 1 0   -20 10 o 56.79912 1.873392  685.7372       43.66948 646.2530       
68.37190 712.9430       56.75402 55.38569 2.940364 58.21254 2.322208 -2.826851 
3.746784 
1 1 1 0   -20 11 o 31.78172 2.725309  223.6807       34.62445 157.0997       
51.50617 278.5768       46.76867 27.21931 4.507163 36.34412 3.065081 -9.124815 
5.450618 
1 1 1 0   -20 12 o 57.88366 2.019192  711.5069       48.52449 669.8458       
73.05267 744.4023       64.91400 56.33377 3.088790 59.43354 2.601524 -3.099773 
4.038384 
1 1 1 0   -20 13 o 87.14365 1.954752  1608.844       70.97894 1543.860       
105.8671 1661.906       95.66518 85.50774 2.949012 88.77956 2.566622 -3.271828 
3.909504 
1 1 1 0   -20 14 o 22.36201 4.986653  107.9034       47.13529 91.30563       
101.2879 112.4914       53.25290 22.29615 8.216147 22.42788 5.653473 
-0.1317291     9.973307 
1 1 1 0   -20 15 o 76.70454 2.841586  1263.861       82.70942 1232.897       
153.2751 1276.582       98.23993 75.77354 4.818093 77.63555 3.014036 -1.862015 
5.683171 
1 1 1 0   -20 16 o 18.30682 5.044355  43.20555       46.26021 81.35032       
105.0382 34.02644       51.52645 21.62427 8.270866 14.98937 5.777098 6.634892 
10.08871 
1 1 1 0   -20 17 o 58.09651 3.224075  686.5759       68.41058 819.8098       
140.9353 645.5072       78.24700 61.18975 5.486082 55.00327 3.388443 6.186481 
6.448151 
1 1 1 0   -20 18 o 13.39766 4.226268  -30.35944      51.41016 -235.0148      
112.4248 23.75094       57.80837 12.09574 5.982297 14.69958 5.971389 -2.603835 
8.452537 
1 1 1 0   -20 19 o 51.44804 3.697986  515.8745       69.80624 740.7429       
147.4527 450.9188       79.24964 57.31469 6.127846 45.58139 4.141244 11.73330 
7.395972 
1 1 1 0   -20 20 o 31.60080 5.232931  226.5012       63.24627 291.3947       
119.0021 200.9555       74.66424 34.02355 8.376007 29.17806 6.275092 4.845495 
10.46586 
1 1 1 0   -20 21 o 58.83588 3.533010  778.5701       79.00179 763.6152       
145.1004 784.8713       94.18597 57.62649 5.997464 60.04528 3.736186 -2.418785 
7.066021 
1 1 1 0   -20 22 o 38.70807 4.914255  334.3173       67.60758 440.2604       
140.0659 302.1367       77.19572 40.94090 8.437299 36.47524 5.040992 4.465656 
9.828510 
1 1 1 0   -20 23 o 19.40123 5.224463  88.90274       62.61634 -19.95070      
127.8130 123.2790       71.82623 16.95076 7.792152 21.85171 6.961496 -4.900953 
10.44893 
1 1 1 0   -19 1  o 201.3730 2.738776  8575.662       230.4363 9285.395       
320.5562 7816.684       331.4910 210.0682 3.634670 192.6779 4.097897 17.39032 
5.477553 
1 1 1 0   -19 2  o 145.1064 2.215212  4361.036       128.6375 4649.356       
221.0337 4213.364       158.1864 148.6385 3.541998 141.5744 2.661372 7.064117 
4.430423 
1 1 1 0   -19 3  o 49.59190 2.222105  525.7690       45.48607 583.5204       
61.33673 455.2008       67.80214 52.67875 2.773360 46.50506 3.472676 6.173687 
4.444210 
1 1 1 0   -19 4  o 69.39798 1.900954  1015.240       55.11676 1137.451       
78.31322 895.2891       77.58562 73.55317 2.536032 65.24280 2.832499 8.310371 
3.801908 
1 1 1 0   -19 5  o 95.50473 2.079486  1917.372       82.86794 1903.967       
111.0219 1934.236       124.5225 95.13977 2.779507 95.86970 3.093766 
-0.7299271     4.158972 
1 1 1 0   -19 6  o 127.9674 2.035954  3437.299       109.1224 3335.478       
148.4289 3557.068       160.9788 125.9169 2.807730 130.0178 2.949084 -4.100838 
4.071909 
1 1 1 0   -19 7  o 186.0757 2.511500  7295.777       195.7561 7251.387       
286.1834 7334.809       268.3575 185.5214 3.674275 186.6300 3.424942 -1.108627 
5.023000 
1 1 1 0   -19 8  o 87.90977 2.281808  1624.821       83.84446 1605.927       
113.0717 1647.898       124.9665 87.35353 3.083148 88.46601 3.364638 -1.112480 
4.563616 
1 1 1 0   -19 9  o 79.86259 2.034233  1349.954       67.69645 1526.413       
95.19324 1169.404       96.29067 85.18752 2.661652 74.53766 3.077014 10.64986 
4.068465 
1 1 1 0   -19 10 o 36.60476 2.419394  278.7393       36.75676 305.3094       
57.36469 260.2320       47.87629 38.05906 3.590109 35.15045 3.244223 2.908615 
4.838787 
1 1 1 0   -19 11 o 27.86932 3.102924  166.6956       34.52084 166.6738       
55.35143 166.7095       44.16179 27.63338 4.950261 28.10527 3.742656 
-0.4718952     6.205849 
1 1 1 0   -19 12 o 119.7821 2.580165  3033.550       124.7632 3019.577       
206.8167 3041.544       156.4333 119.4625 4.123586 120.1017 3.102426 
-0.6391602     5.160330 
1 1 1 0   -19 13 f 168.6576 4.190107  6117.291       275.9700 6002.056       
487.0040 6171.797       334.9372 166.8776 6.951131 170.4377 4.680787 -3.560028 
8.380214 
1 1 1 0   -19 14 f 35.29025 3.649503  269.1852       45.20228 270.9634       
90.57532 268.5955       52.16236 34.94986 6.412189 35.63063 3.487023 
-0.6807671     7.299006 
1 1 1 0   -19 15 o 40.08774 3.528148  350.3578       56.12263 322.6826       
94.34713 365.5135       69.81862 38.70496 5.806082 41.47052 4.010078 -2.765564 
7.056296 
1 1 1 0   -19 16 o 44.32269 4.019148  476.1114       59.87265 341.9831       
114.7187 526.3236       70.19055 38.83842 7.303897 49.80696 3.356678 -10.96853 
8.038296 
1 1 1 0   -19 17 o 39.14978 4.435335  357.7659       57.49920 312.1609       
120.1997 371.2985       65.47679 36.58072 8.044486 41.71884 3.738318 -5.138126 
8.870669 
1 1 1 0   -19 18 o 45.98494 3.853102  464.6816       61.92732 457.3785       
129.4504 466.8489       70.52026 45.23126 6.816881 46.73861 3.593844 -1.507347 
7.706204 
1 1 1 0   -19 19 o 33.43848 4.999990  228.3216       59.02885 335.4477       
126.5738 198.5468       66.72977 37.29795 8.300003 29.57901 5.577592 7.718945 
9.999979 
1 1 1 0   -19 20 o 56.14017 3.556052  676.6559       75.78470 736.7794       
143.5947 653.4437       89.22264 57.28347 5.970769 54.99688 3.864187 2.286594 
7.112104 
1 1 1 0   -19 21 o 23.83940 5.769792  124.7605       64.32172 167.3441       
121.0298 107.9989       75.93280 26.08863 9.041578 21.59017 7.170205 4.498461 
11.53958 
1 1 1 0   -19 22 o 29.16739 5.838775  195.5666       69.90426 292.2972       
129.5032 155.7933       83.04131 33.24041 9.041641 25.09437 7.390122 8.146040 
11.67755 
1 1 1 0   -19 23 o 53.43982 3.982791  628.4676       80.46695 739.3980       
155.3368 587.7832       94.07258 55.51348 6.664950 51.36615 4.362215 4.147331 
7.965581 
1 1 1 0   -19 24 o 45.73934 4.831000  511.8160       83.09953 561.5004       
150.6301 490.0789       99.63300 45.61956 8.159355 45.85912 5.174859 
-0.2395630     9.662000 
1 1 1 0   -18 1  o 170.0125 2.417642  6087.012       172.1512 6572.917       
243.4772 5601.256       243.4398 176.8190 3.279824 163.2060 3.552848 13.61301 
4.835285 
1 1 1 0   -18 2  o 60.46682 1.959306  744.8488       48.41255 673.4760       
60.69788 869.6432       80.26109 56.61316 2.553743 64.32047 2.972192 -7.707310 
3.918613 
1 1 1 0   -18 3  o 96.79742 2.015568  1958.131       79.80257 1919.909       
101.4864 2020.052       129.1728 95.58160 2.529033 98.01325 3.139117 -2.431656 
4.031137 
1 1 1 0   -18 4  o 24.62155 3.313392  134.4807       32.96841 177.7889       
46.03681 88.88874       47.23502 29.06181 3.773146 20.18128 5.447718 8.880535 
6.626783 
1 1 1 0   -18 5  o 21.71897 3.316812  98.72058       31.56875 39.65100       
42.50589 171.3823       47.14328 14.91366 5.339268 28.52427 3.936645 -13.61061 
6.633624 
1 1 1 0   -18 6  o 106.3002 2.206997  2381.957       97.89850 2418.166       
131.9629 2337.638       145.9972 107.2153 2.931677 105.3851 3.299790 1.830170 
4.413994 
1 1 1 0   -18 7  o 76.11720 1.994974  1218.160       63.73350 1191.428       
88.81187 1246.543       91.51443 75.25730 2.810888 76.97710 2.831712 -1.719803 
3.989948 
1 1 1 0   -18 8  o 104.0660 2.235777  2286.972       96.92724 2343.950       
130.1951 2216.126       145.1771 105.5443 2.938196 102.5878 3.370728 2.956581 
4.471554 
1 1 1 0   -18 9  o 126.8112 2.725927  3397.549       137.2746 3415.165       
168.9458 3363.323       235.4985 127.3792 3.159148 126.2433 4.443252 1.135910 
5.451854 
1 1 1 0   -18 10 o 84.66469 1.935289  1468.874       66.40260 1653.842       
111.9948 1368.600       82.46004 88.65055 3.009105 80.67882 2.434474 7.971733 
3.870578 
1 1 1 0   -18 11 o 94.98113 2.287831  1902.131       84.09617 1893.464       
151.7451 1905.973       101.0300 94.76668 3.813996 95.19559 2.527870 
-0.4289093     4.575663 
1 1 1 0   -18 12 o 116.8832 3.056306  2887.944       135.1360 2885.263       
253.6422 2889.007       159.6876 116.6750 5.178031 117.0913 3.248385 
-0.4163208     6.112611 
1 1 1 0   -18 13 o 112.3091 2.927117  2699.136       122.3398 2599.266       
233.4964 2736.927       143.6333 110.6603 5.025850 113.9579 3.002146 -3.297623 
5.854233 
1 1 1 0   -18 14 o 155.7926 2.904513  5153.387       176.8563 5105.882       
312.8211 5175.704       214.4116 155.0069 4.806912 156.5783 3.261653 -1.571426 
5.809026 
1 1 1 0   -18 15 f 131.6183 3.166712  3678.081       171.2480 3701.688       
271.9454 3662.567       220.4457 131.8015 4.914538 131.4352 3.994945 0.3662109 
6.333425 
1 1 1 0   -18 16 o 30.45267 4.403938  202.9854       49.62661 206.4076       
95.84457 201.7318       58.00805 30.13723 7.577124 30.76811 4.490643 
-0.6308765     8.807876 
1 1 1 0   -18 17 o 52.32525 3.535978  623.1708       64.23777 523.4918       
130.2238 655.2260       73.84786 49.03832 6.325223 55.61218 3.162926 -6.573856 
7.071955 
1 1 1 0   -18 18 o 23.46569 5.503637  101.6291       55.16538 168.5889       
116.2811 82.18150       62.66644 27.26632 8.873020 19.66507 6.513800 7.601246 
11.00727 
1 1 1 0   -18 19 o 24.44877 5.587177  106.2522       57.05634 209.6844       
122.0615 77.33362       64.54153 29.65135 9.010299 19.24620 6.609139 10.40515 
11.17435 
1 1 1 0   -18 20 o 53.08873 3.612547  593.6172       74.48650 680.5427       
137.3864 557.4283       88.64590 55.36496 5.910577 50.81249 4.155365 4.552467 
7.225094 
1 1 1 0   -18 21 o 77.12430 3.376112  1308.487       107.0024 1280.015       
168.1969 1327.844       138.6858 76.06161 5.267123 78.18698 4.224920 -2.125366 
6.752224 
1 1 1 0   -18 22 o 19.63852 5.605802  7.926900       69.69065 162.5747       
130.6470 -53.57824      82.39165 25.92955 9.352929 13.34749 6.182457 12.58206 
11.21160 
1 1 1 0   -18 23 o 31.41661 5.766655  249.9225       72.95017 254.8996       
131.9479 247.7315       87.54720 30.81153 9.369134 32.02170 6.725813 -1.210173 
11.53331 
1 1 1 0   -18 24 o 24.10456 6.142708  153.4930       85.34711 41.17955       
156.8311 200.7499       101.7300 20.68836 9.149758 27.52076 8.198375 -6.832401 
12.28542 
1 1 1 0   -18 25 o 52.80908 4.467235  633.9078       99.04358 0.000000       
0.000000 633.9078       99.04358 ?        ?        52.80908 4.467235 ? ? 
1 1 1 0   -17 1  o 195.0849 2.459309  7753.498       154.8170 8388.572       
371.7126 7620.210       170.2900 199.6889 4.433782 190.4809 2.129407 9.207993 
4.918618 
1 1 1 0   -17 2  o 275.4604 3.710196  15991.49       428.7093 16283.84       
597.4933 15681.27       615.4797 278.0792 5.117826 272.8417 5.373088 5.237488 
7.420393 
1 1 1 0   -17 3  o 188.0105 2.756470  7423.205       217.2699 8003.639       
313.6973 6888.045       301.2149 195.0693 3.830388 180.9516 3.964925 14.11769 
5.512940 
1 1 1 0   -17 4  f 266.2497 3.469272  14687.87       310.1357 14526.21       
345.8469 15351.60       700.7887 262.8606 3.133859 269.6387 6.190502 -6.778107 
6.938543 
1 1 1 0   -17 5  o 151.5999 2.443285  4819.369       155.2601 5132.675       
227.3094 4545.370       212.5727 156.2030 3.466164 146.9968 3.444455 9.206223 
4.886570 
1 1 1 0   -17 6  o 151.4619 2.496416  4846.974       156.9942 4690.686       
238.3775 4966.690       208.6309 149.2667 3.803851 153.6572 3.234051 -4.390503 
4.992831 
1 1 1 0   -17 7  o 67.44969 1.956686  944.8640       53.53495 912.6710       
66.98568 1001.779       89.06680 65.89302 2.421384 69.00636 3.074311 -3.113335 
3.913373 
1 1 1 0   -17 8  o 113.6371 2.718256  2725.812       129.4226 2818.172       
179.4266 2625.638       186.8623 115.6637 3.694970 111.6105 3.987838 4.053123 
5.436512 
1 1 1 0   -17 9  o 128.7523 3.285607  3419.568       153.3940 3342.791       
176.0004 3662.172       312.8587 126.0003 3.327079 131.5042 5.666691 -5.503960 
6.571214 
1 1 1 0   -17 10 o 30.82644 3.724931  179.2938       41.27322 259.8954       
86.62988 155.6259       46.94345 34.48704 6.209605 27.16585 4.115976 7.321196 
7.449862 
1 1 1 0   -17 11 o 81.33804 2.269526  1348.309       70.92256 1502.470       
133.0764 1287.153       83.81804 84.44008 3.753820 78.23602 2.551831 6.204063 
4.539053 
1 1 1 0   -17 12 o 109.6603 2.844683  2530.279       130.9671 0.000000       
0.000000 2530.279       130.9671 ?        ?        109.6603 2.844683 ? ? 
1 1 1 0   -17 13 f 60.63306 2.688953  742.7791       59.33832 841.9598       
121.9391 712.0057       67.92294 63.10356 4.602674 58.16256 2.781596 4.941002 
5.377907 
1 1 1 0   -17 14 o 119.5548 2.594605  2984.288       126.8291 3161.169       
206.6443 2877.389       160.6456 122.2968 4.024663 116.8128 3.275665 5.483986 
5.189209 
1 1 1 0   -17 15 o 70.54303 2.828385  1125.521       73.47702 896.1439       
134.8984 1222.278       87.61436 64.92756 4.948787 76.15849 2.740173 -11.23093 
5.656770 
1 1 1 0   -17 16 o 86.91501 2.891393  1517.337       87.51861 1757.022       
192.4533 1454.847       98.26730 90.78182 5.049489 83.04820 2.818382 7.733620 
5.782787 
1 1 1 0   -17 17 o 49.94264 3.379163  561.6945       62.03512 469.0357       
115.6824 599.0955       73.49637 46.67439 5.903503 53.21089 3.289928 -6.536495 
6.758327 
1 1 1 0   -17 18 o 74.03718 3.032894  1078.608       81.85555 1360.101       
171.2756 995.2818       93.18658 79.54453 5.128688 68.52983 3.238879 11.01469 
6.065788 
1 1 1 0   -17 19 o 45.58457 3.861617  425.3741       65.28217 507.2522       
131.2666 398.4683       75.24765 48.01959 6.511137 43.14955 4.153725 4.870037 
7.723234 
1 1 1 0   -17 20 o 25.12836 5.616149  142.2462       61.00187 134.5930       
123.8247 144.6989       70.09862 25.19834 9.103843 25.05838 6.579100 0.1399574 
11.23230 
1 1 1 0   -17 21 o 24.87954 5.695610  77.70868       64.14968 287.6396       
136.6726 18.39179       72.64945 34.03425 9.302351 15.72482 6.574658 18.30943 
11.39122 
1 1 1 0   -17 22 o 32.98750 5.516620  249.0931       70.29529 307.3043       
129.7122 224.8882       83.64285 35.05363 8.815713 30.92136 6.634425 4.132273 
11.03324 
1 1 1 0   -17 23 o 33.89461 6.517218  252.2642       82.99766 410.8371       
176.8831 207.4941       93.98662 38.75957 10.57769 29.02964 7.616363 9.729937 
13.03444 
1 1 1 0   -17 24 o 20.69812 9.052254  35.63752       149.2305 0.000000       
0.000000 35.63752       149.2305 ?        ?        20.69812 9.052254 ? ? 
1 1 1 0   -17 25 o 27.51530 6.527361  161.8287       78.23567 344.7682       
165.3678 109.0747       88.80243 33.73154 10.53611 21.29906 7.708192 12.43247 
13.05472 
1 1 1 0   -17 26 o 31.19818 5.730676  317.7451       85.01344 120.5331       
175.4015 378.2976       97.19244 22.68563 9.867991 39.71072 5.829694 -17.02509 
11.46135 
1 1 1 0   -16 1  o 237.5002 3.188380  11862.26       317.8375 11519.13       
448.1210 12209.62       450.8718 234.0390 4.560664 240.9613 4.456838 -6.922287 
6.376760 
1 1 1 0   -16 2  o 190.9905 2.484230  7694.960       197.7852 7402.505       
294.6896 7934.688       266.8056 187.6609 3.740349 194.3201 3.270380 -6.659286 
4.968461 
1 1 1 0   -16 3  o 236.1251 3.179653  11773.49       312.6498 12111.18       
419.8508 11353.13       468.4355 239.9760 4.167236 232.2741 4.803635 7.701904 
6.359305 
1 1 1 0   -16 4  o 114.8869 2.202698  2800.666       102.0759 2874.482       
128.6312 2675.123       167.7505 116.9707 2.619330 112.8032 3.542121 4.167465 
4.405396 
1 1 1 0   -16 5  o 93.54062 2.251696  1835.198       88.31453 1920.591       
128.9503 1759.761       121.2009 95.58426 3.213341 91.49699 3.155150 4.087273 
4.503391 
1 1 1 0   -16 6  o 98.41216 2.224178  2033.600       91.39622 2011.670       
122.6972 2060.936       136.9880 97.82442 2.987502 98.99988 3.295861 -1.175453 
4.448356 
1 1 1 0   -16 7  o 143.6651 3.143853  4303.987       166.7314 4255.986       
193.5763 4441.947       328.1721 142.2512 3.241286 145.0789 5.387886 -2.827774 
6.287706 
1 1 1 0   -16 8  o 252.0977 4.795811  13425.60       499.0560 13728.04       
784.4132 13219.94       646.8550 254.2604 7.348305 249.9350 6.164544 4.325424 
9.591621 
1 1 1 0   -16 9  f 122.8215 3.911907  3203.045       198.0509 3121.863       
308.9174 3259.699       258.0647 121.4030 6.060856 124.2399 4.947533 -2.836830 
7.823813 
1 1 1 0   -16 10 o 94.78450 3.082494  1777.720       94.81123 2086.239       
230.0913 1714.622       104.0559 99.28349 5.520065 90.28551 2.745172 8.997978 
6.164989 
1 1 1 0   -16 11 o 98.12254 2.897305  2008.646       108.5829 2082.768       
202.4561 1978.715       128.6512 99.28896 4.856808 96.95613 3.160528 2.332832 
5.794611 
1 1 1 0   -16 12 o 148.8033 3.089378  4557.275       185.7984 5088.588       
314.9634 4273.707       230.0986 155.2061 4.833619 142.4004 3.848786 12.80568 
6.178756 
1 1 1 0   -16 13 o 31.18982 3.988470  216.6904       46.32996 193.4878       
83.92252 226.8617       55.56439 29.58122 6.881043 32.79842 4.035196 -3.217207 
7.976940 
1 1 1 0   -16 14 o 88.53429 2.868398  1719.915       95.48994 1502.841       
174.5457 1812.633       114.0747 84.27496 4.933234 92.79363 2.928144 -8.518677 
5.736795 
1 1 1 0   -16 15 o 135.6347 3.829313  3931.555       207.3859 3831.359       
350.0267 3985.753       257.4366 134.0373 6.220088 137.2322 4.468229 -3.194855 
7.658627 
1 1 1 0   -16 16 o 80.68315 2.978542  1324.294       84.15068 1479.356       
182.1931 1282.244       94.87707 83.37669 5.204853 77.98962 2.897647 5.387070 
5.957084 
1 1 1 0   -16 17 f 40.83412 3.678110  347.5481       56.44716 374.3937       
108.8981 337.6850       66.00699 41.74708 6.213198 39.92116 3.938292 1.825924 
7.356220 
1 1 1 0   -16 18 o 17.22855 4.619351  -10.66531      49.99210 121.8952       
88.61944 -72.54140      60.54570 23.84430 7.746069 10.61280 5.035080 13.23151 
9.238703 
1 1 1 0   -16 19 o 65.93965 2.616014  913.1925       69.56313 963.0823       
117.1369 886.0118       86.46030 67.20945 4.151304 64.66985 3.184462 2.539604 
5.232028 
1 1 1 0   -16 20 o 89.00329 3.191377  1589.183       104.7239 1942.681       
213.8578 1477.677       120.1104 94.66028 5.381192 83.34630 3.432538 11.31398 
6.382753 
1 1 1 0   -16 21 o 22.85398 5.294092  124.4874       61.01052 -12.63484      
135.4293 159.4019       68.33786 19.35516 8.538719 26.35281 6.260983 -6.997648 
10.58818 
1 1 1 0   -16 22 o 16.42495 5.283032  -46.03467      76.14580 -22.92510      
128.7961 -58.45267      94.41322 18.36266 8.190582 14.48724 6.675035 3.875426 
10.56606 
1 1 1 0   -16 23 o 90.62510 8.310028  1959.768       316.1767 1959.768       
316.1767 0.000000       0.000000 90.62510 8.310028 ?        ?        ? ? 
1 1 1 0   -16 24 o 18.53940 7.877589  31.09382       107.1019 0.000000       
0.000000 31.09382       107.1019 ?        ?        18.53940 7.877589 ? ? 
1 1 1 0   -16 25 o 47.39784 5.641101  578.8270       96.95084 496.6909       
175.0417 615.1750       116.4433 42.63737 9.950461 52.15831 5.317555 -9.520939 
11.28220 
1 1 1 0   -16 26 o 17.49690 5.641389  -11.24063      84.72535 -1.976328      
154.6207 -15.21588      101.2847 19.18850 8.730204 15.80530 7.147352 3.383198 
11.28278 
1 1 1 0   -16 27 o 18.55720 5.869567  31.19552       84.25673 55.69582       
164.2330 22.44345       98.15903 20.45069 9.181961 16.66371 7.314293 3.786978 
11.73913 
1 1 1 0   -15 1  o 346.0755 4.075882  25219.94       591.7788 25844.61       
828.3863 24568.92       845.6852 350.4743 5.629863 341.6768 5.895414 8.797485 
8.151765 
1 1 1 0   -15 2  o 54.00154 2.007979  618.3864       45.06429 700.3046       
62.66466 530.6479       64.85269 57.74370 2.584872 50.25937 3.073492 7.484329 
4.015958 
1 1 1 0   -15 3  o 184.5843 2.757636  7115.982       172.5630 7084.555       
193.3477 7239.031       382.5840 183.6598 2.507529 185.5088 4.912282 -1.848984 
5.515271 
1 1 1 0   -15 4  o 209.9289 3.299663  9139.650       278.7266 9721.943       
472.9347 8829.760       345.0125 214.9227 5.241312 204.9351 4.009956 9.987610 
6.599325 
1 1 1 0   -15 5  o 379.2411 4.961321  30089.24       785.7808 27887.12       
1047.596 32921.92       1188.152 363.5573 6.863444 394.9248 7.166028 -31.36749 
9.922642 
1 1 1 0   -15 6  o 272.4427 5.300733  15721.36       436.1239 15735.40       
474.0668 15644.06       1112.547 273.4981 4.128633 271.3872 9.764501 2.110962 
10.60147 
1 1 1 0   -15 7  o 219.0421 4.693893  9922.846       396.8930 9608.804       
472.1829 10678.88       732.6332 213.5192 5.267377 224.5650 7.770796 -11.04585 
9.387787 
1 1 1 0   -15 8  o 132.1430 4.061664  3658.938       224.4870 3349.970       
302.3223 4038.661       335.1555 125.9746 5.716209 138.3113 5.771778 -12.33669 
8.123328 
1 1 1 0   -15 9  o 92.96194 3.369250  1807.539       130.6631 1950.232       
198.7397 1698.901       173.4103 96.15282 4.923156 89.77106 4.601078 6.381760 
6.738500 
1 1 1 0   -15 10 o 95.81729 2.928234  1947.383       106.3114 1906.138       
198.0503 1964.078       126.0038 95.01572 4.964791 96.61886 3.106295 -1.603134 
5.856468 
1 1 1 0   -15 11 f 25.61006 4.020379  140.9229       39.56577 151.7653       
71.67999 136.1719       47.44900 26.22577 6.527974 24.99435 4.694609 1.231421 
8.040758 
1 1 1 0   -15 12 o 123.8586 3.347092  3271.328       157.7331 3165.644       
290.8548 3315.359       187.7375 122.2636 5.666306 125.4536 3.564419 -3.190025 
6.694184 
1 1 1 0   -15 13 o 170.3783 4.263768  5967.868       227.6500 6437.325       
565.6078 5877.116       248.6822 173.7154 7.755292 167.0411 3.546029 6.674271 
8.527536 
1 1 1 0   -15 14 o 87.43182 2.467795  1626.707       89.32031 1494.285       
134.8225 1730.294       119.2433 84.19904 3.813963 90.66462 3.132688 -6.465584 
4.935590 
1 1 1 0   -15 15 o 160.5241 3.858603  5445.635       257.8480 5577.588       
392.9472 5345.854       341.7035 162.1362 5.772652 158.9120 5.121696 3.224197 
7.717206 
1 1 1 0   -15 16 o 109.8784 3.162689  2490.962       124.5910 2679.112       
258.5547 2434.061       142.1882 112.2909 5.484397 107.4659 3.151475 4.825073 
6.325378 
1 1 1 0   -15 17 o 57.61615 3.063909  674.9670       68.11444 775.9565       
127.5742 634.6984       80.55782 60.41451 5.029706 54.81779 3.500315 5.596710 
6.127818 
1 1 1 0   -15 18 o 70.87468 2.937020  1024.748       80.83336 1172.737       
149.5045 963.6158       96.08931 74.23022 4.797276 67.51913 3.389762 6.711090 
5.874040 
1 1 1 0   -15 19 f 54.48106 3.132381  598.0527       66.32224 722.6934       
123.7068 547.7766       78.56791 58.13064 5.068851 50.83147 3.681574 7.299164 
6.264762 
1 1 1 0   -15 20 o 78.02138 2.569061  1321.504       78.34961 1212.808       
135.6261 1375.948       95.98640 75.37814 4.285671 80.66461 2.834312 -5.286469 
5.138123 
1 1 1 0   -15 21 o 28.01802 5.208619  208.5281       67.20999 24.42884       
140.4882 263.1683       76.53673 21.17145 9.009881 34.86459 5.228853 -13.69314 
10.41724 
1 1 1 0   -15 22 o 21.77275 6.271299  43.82357       87.98572 129.0780       
149.0014 -1.819544      109.0233 25.69782 9.844460 17.84768 7.771962 7.850132 
12.54260 
1 1 1 0   -15 23 o 69.30932 8.299829  1126.271       241.5125 0.000000       
0.000000 1126.271       241.5125 ?        ?        69.30932 8.299829 ? ? 
1 1 1 0   -15 24 o 70.84014 4.667867  1086.801       121.5847 1276.075       
245.2267 1025.108       140.0046 73.42261 7.955344 68.25768 4.885532 5.164932 
9.335734 
1 1 1 0   -15 25 o 94.98048 4.417045  1981.437       176.1348 0.000000       
0.000000 1981.437       176.1348 ?        ?        94.98048 4.417045 ? ? 
1 1 1 0   -15 26 o 33.75742 6.104334  325.0721       87.34290 209.1938       
171.3411 365.7556       101.5242 27.79116 10.58270 39.72369 6.087528 -11.93253 
12.20867 
1 1 1 0   -15 27 f 34.35844 6.225380  335.2744       86.13106 300.8962       
172.8125 346.6368       99.35033 30.66061 10.78682 38.05626 6.218195 -7.395641 
12.45076 
1 1 1 0   -15 28 o 32.72548 6.908716  313.7445       91.89716 387.7109       
197.3763 293.2723       103.8388 32.42643 11.51581 33.02453 7.635939 
-0.5980988     13.81743 
1 1 1 0   -14 1  o 83.37271 1.933842  1452.694       66.42405 1423.860       
85.62431 1496.272       105.2635 82.34245 2.476820 84.40298 2.970580 -2.060539 
3.867684 
1 1 1 0   -14 2  o 174.0421 3.232467  6363.032       236.1932 6363.032       
236.1932 0.000000       0.000000 174.0421 3.232467 ?        ?        ? ? 
1 1 1 0   -14 3  o 445.5894 5.908988  41585.14       1058.466 40854.36       
1313.542 42938.34       1787.427 440.3571 7.104932 450.8216 9.443754 -10.46457 
11.81798 
1 1 1 0   -14 4  o 149.8662 2.626497  4659.111       153.3506 4560.464       
184.1789 4882.052       276.8819 147.3425 2.977370 152.3898 4.327725 -5.047302 
5.252993 
1 1 1 0   -14 5  o 231.4867 3.704567  10962.99       332.2659 10495.95       
395.4550 12084.27       612.7446 223.4331 4.215709 239.5403 6.092870 -16.10725 
7.409134 
1 1 1 0   -14 6  o 71.25954 2.177086  1023.917       61.99863 936.6275       
75.42334 1205.789       108.8698 66.77330 2.690444 75.74578 3.423496 -8.972481 
4.354172 
1 1 1 0   -14 7  o 248.1232 6.895434  13139.45       681.7261 12822.07       
1156.219 13308.58       844.0513 245.3781 11.22343 250.8683 8.013905 -5.490204 
13.79087 
1 1 1 0   -14 8  o 95.86471 3.032074  1896.493       116.8484 2061.732       
199.5881 1810.322       144.1309 98.94991 4.804411 92.77950 3.700207 6.170410 
6.064149 
1 1 1 0   -14 9  o 84.51958 3.239789  1479.820       110.9140 1597.144       
185.8394 1414.906       138.2331 87.04590 5.085229 81.99327 4.015640 5.052628 
6.479577 
1 1 1 0   -14 10 o 98.34641 2.902870  1970.323       103.5448 2169.899       
212.5723 1908.238       118.5613 101.4292 4.991888 95.26364 2.964400 6.165520 
5.805739 
1 1 1 0   -14 11 o 219.5536 5.637926  10244.44       474.4203 10314.12       
871.8302 10215.13       565.4744 219.4456 9.462941 219.6616 6.131685 
-0.2160339     11.27585 
1 1 1 0   -14 12 o 69.95502 2.478867  1024.210       65.23263 1044.878       
124.2750 1016.350       76.63962 70.39027 4.205254 69.51978 2.625827 0.8704987 
4.957734 
1 1 1 0   -14 13 o 226.6975 5.965377  11001.59       538.0292 10991.27       
920.1513 11006.95       663.2211 225.9143 9.701451 227.4807 6.944402 -1.566422 
11.93075 
1 1 1 0   -14 14 o 170.5880 4.248139  6190.763       298.2751 6048.896       
467.6307 6288.071       387.2867 168.7644 6.599988 172.4116 5.350411 -3.647156 
8.496278 
1 1 1 0   -14 15 o 70.32523 2.699476  1034.807       76.43265 1069.025       
128.6572 1016.143       95.01750 71.17837 4.305336 69.47208 3.257725 1.706291 
5.398952 
1 1 1 0   -14 16 o 129.3390 2.907843  3403.087       151.2649 3969.988       
261.3229 3117.430       185.5012 137.0706 4.541028 121.6074 3.633355 15.46322 
5.815686 
1 1 1 0   -14 17 o 100.7509 3.125906  2177.582       126.7480 2037.597       
207.9953 2260.271       159.8579 98.01814 5.054384 103.4837 3.679451 -5.465599 
6.251812 
1 1 1 0   -14 18 o 140.0916 3.570364  4166.696       208.0723 4218.838       
317.1837 4127.308       275.6795 140.7436 5.367886 139.4395 4.709119 1.304092 
7.140728 
1 1 1 0   -14 19 o 40.66831 3.825899  336.3578       59.49525 395.1518       
113.6192 314.1465       69.83492 42.86999 6.312763 38.46664 4.324237 4.403351 
7.651797 
1 1 1 0   -14 20 o 98.33936 2.710847  2051.319       101.3722 2054.073       
188.6201 2050.201       120.2088 98.16024 4.576921 98.51846 2.906296 
-0.3582230     5.421694 
1 1 1 0   -14 21 o 126.5180 3.153254  3367.465       162.2086 3211.123       
203.2835 3641.476       269.1219 122.7927 3.943217 130.2433 4.921695 -7.450584 
6.306508 
1 1 1 0   -14 22 o 71.84303 5.492544  1121.867       165.6674 1121.867       
165.6674 0.000000       0.000000 71.84303 5.492544 ?        ?        ? ? 
1 1 1 0   -14 23 o 32.80931 7.492569  252.5662       100.9824 0.000000       
0.000000 252.5662       100.9824 ?        ?        32.80931 7.492569 ? ? 
1 1 1 0   -14 24 o 31.80743 5.826971  284.6603       87.78258 47.87792       
176.2323 362.7945       101.2352 23.27667 10.00406 40.33819 5.977727 -17.06151 
11.65394 
1 1 1 0   -14 25 o 60.04329 4.805837  821.8264       101.2082 839.3885       
210.3183 816.5341       115.4551 58.98595 8.492773 61.10064 4.500786 -2.114689 
9.611673 
1 1 1 0   -14 26 o 39.14279 6.211542  423.6318       87.63068 317.1938       
187.2353 453.4862       99.16163 33.29591 11.25928 44.98967 5.249911 -11.69376 
12.42308 
1 1 1 0   -14 27 o 38.71130 6.123164  395.6187       85.35678 375.3517       
178.8936 401.5928       97.12560 35.50817 10.93201 41.91443 5.519392 -6.406261 
12.24633 
1 1 1 0   -14 28 o 26.11605 6.677445  133.3385       81.75344 368.4985       
178.5855 70.99123       91.95451 33.40278 10.99613 18.82932 7.578796 14.57345 
13.35489 
1 1 1 0   -13 1  o 336.2027 4.195972  23710.23       590.5754 22948.60       
800.4783 24620.01       874.8704 330.3131 5.772246 342.0923 6.091461 -11.77921 
8.391944 
1 1 1 0   -13 2  o 72.29357 1.828230  1098.282       55.31121 1106.935       
75.42359 1088.213       81.35664 72.60311 2.474418 71.98403 2.692018 0.6190796 
3.656460 
1 1 1 0   -13 3  o 484.9299 11.81742  49802.97       2405.917 0.000000       
0.000000 49802.97       2405.917 ?        ?        484.9299 11.81742 ? ? 
1 1 1 0   -13 4  o 212.8924 3.141254  9528.559       280.6898 9781.228       
396.9303 9275.826       396.9803 215.7197 4.382738 210.0651 4.501280 5.654587 
6.282508 
1 1 1 0   -13 5  o 104.1634 2.338636  2262.849       101.6238 2421.397       
154.4443 2141.791       134.9548 107.3546 3.426670 100.9722 3.183521 6.382378 
4.677272 
1 1 1 0   -13 6  o 428.8846 10.97521  39361.41       1975.120 39835.40       
2847.478 38921.89       2741.992 431.2611 15.72683 426.5082 15.31299 4.752838 
21.95041 
1 1 1 0   -13 7  o 98.88604 3.038087  2053.252       126.0295 2165.094       
181.9548 1950.115       174.7300 101.4717 4.271099 96.30036 4.321760 5.171356 
6.076174 
1 1 1 0   -13 8  o 294.3981 8.804542  18439.14       1058.144 18755.04       
1714.448 18244.76       1344.849 295.8731 13.80193 292.9231 10.93556 2.950073 
17.60908 
1 1 1 0   -13 9  o 98.45747 2.754707  2071.870       102.6907 1961.822       
189.9436 2117.320       122.0684 96.53757 4.686508 100.3774 2.896599 -3.839821 
5.509414 
1 1 1 0   -13 10 o 153.0206 3.921292  5009.941       235.3331 4733.761       
408.5968 5147.034       287.8756 149.6849 6.501868 156.3564 4.385411 -6.671524 
7.842584 
1 1 1 0   -13 11 o 185.9119 4.502700  7288.309       327.0355 7368.440       
581.9850 7251.329       395.3600 186.4053 7.436604 185.4185 5.078796 0.9867859 
9.005401 
1 1 1 0   -13 12 o 153.0409 3.825940  4920.221       205.7053 5000.183       
433.6247 4897.001       233.6718 153.5704 6.725543 152.5114 3.649431 1.059097 
7.651881 
1 1 1 0   -13 13 o 89.47682 2.828829  1653.222       88.34480 1749.731       
189.9063 1626.568       99.80157 91.00993 4.970174 87.94372 2.703047 3.066216 
5.657658 
1 1 1 0   -13 14 o 252.2467 6.448119  13810.51       613.7435 13310.62       
1142.937 14013.07       727.5378 247.7278 10.98926 256.7656 6.749005 -9.037827 
12.89624 
1 1 1 0   -13 15 o 112.6908 2.815874  2676.315       133.1331 2699.755       
192.2111 2654.700       184.5780 113.1572 4.045918 112.2244 3.917542 0.9327927 
5.631748 
1 1 1 0   -13 16 o 265.5465 6.019080  15113.33       634.6005 15063.48       
1089.102 15138.95       780.8545 264.3484 9.813254 266.7446 6.972612 -2.396240 
12.03816 
1 1 1 0   -13 17 o 87.04553 2.929135  1598.373       103.0352 1602.707       
170.7115 1595.889       129.2277 87.07368 4.669787 87.01737 3.537289 
0.5631256E-01  5.858270 
1 1 1 0   -13 18 f 30.48626 4.934244  195.1490       57.89102 239.0343       
106.3670 176.6781       69.00674 32.69635 7.838614 28.27618 5.995262 4.420168 
9.868487 
1 1 1 0   -13 19 o 101.4796 3.088187  2182.928       129.2180 2182.804       
202.7184 2183.013       167.7041 101.3841 4.762604 101.5751 3.932581 
-0.1909790     6.176373 
1 1 1 0   -13 20 f 76.15952 2.826031  1227.045       83.56395 1236.448       
150.2397 1222.833       100.5528 76.22862 4.694482 76.09042 3.147640 0.1381989 
5.652062 
1 1 1 0   -13 21 o 107.8027 3.232757  2411.493       141.2304 2731.317       
238.3160 2238.372       175.3362 112.9877 5.023924 102.6177 4.069774 10.36999 
6.465514 
1 1 1 0   -13 22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -13 23 o 35.74852 5.071452  305.3637       67.41840 252.4220       
124.7225 327.2186       80.13466 32.57810 8.878398 38.91894 4.904338 -6.340843 
10.14290 
1 1 1 0   -13 24 o 33.41678 6.431344  263.1217       80.02284 274.9809       
181.1116 260.2449       89.20244 33.16385 11.07363 33.66971 6.543961 
-0.5058632     12.86269 
1 1 1 0   -13 25 o 63.43009 4.864466  892.4000       104.0341 956.5743       
231.1621 876.1006       116.4991 63.33798 8.693078 63.52220 4.368355 
-0.1842194     9.728932 
1 1 1 0   -13 26 o 39.75135 7.113668  377.4991       114.7194 576.8074       
201.5929 282.0448       139.5116 46.55206 10.55580 32.95064 9.538986 13.60142 
14.22734 
1 1 1 0   -13 27 o 35.41741 6.544012  308.8160       85.42123 375.3064       
186.3601 291.1307       96.11246 36.01579 11.17193 34.81903 6.817947 1.196758 
13.08802 
1 1 1 0   -13 28 o 22.07821 6.103965  110.9933       76.80000 31.99706       
176.6209 129.4122       85.28474 21.34654 9.554568 22.80987 7.598932 -1.463327 
12.20793 
1 1 1 0   -13 29 o 18.97671 5.761295  56.59650       81.83578 -48.57310      
166.0745 90.32292       94.04659 18.11909 8.507221 19.83433 7.771569 -1.715242 
11.52259 
1 1 1 0   -12 1  o 10.49208 3.108974  0.7270585E-01  22.14241 -8.057590      
27.34456 15.55668       37.73627 8.738389 3.847884 12.24578 4.884329 -3.507389 
6.217948 
1 1 1 0   -12 2  o 155.0980 2.073419  5025.137       132.9616 4902.707       
172.6063 5203.807       208.5145 152.7931 2.690753 157.4029 3.155329 -4.609802 
4.146837 
1 1 1 0   -12 3  o 366.5841 5.596231  27944.45       768.5896 27506.54       
899.0300 29133.67       1481.542 361.6141 5.921748 371.5541 9.497584 -9.940033 
11.19246 
1 1 1 0   -12 4  o 138.5513 2.880314  4006.163       166.9650 3675.386       
225.3343 4408.865       248.6288 132.2535 4.058272 144.8491 4.088431 -12.59561 
5.760629 
1 1 1 0   -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -12 6  o 216.9619 5.531286  9766.104       459.4794 10307.71       
856.7653 9547.440       544.3873 220.9351 9.236730 212.9888 6.087967 7.946259 
11.06257 
1 1 1 0   -12 7  o 85.54903 2.686969  1546.153       94.03028 1501.185       
149.8846 1575.337       120.7472 84.50654 4.224622 86.59151 3.321413 -2.084976 
5.373939 
1 1 1 0   -12 8  o 270.1469 6.514151  15548.61       717.6063 14940.13       
1149.504 15937.18       918.5892 265.5287 10.31145 274.7651 7.963075 -9.236420 
13.02830 
1 1 1 0   -12 9  o 87.05190 2.683715  1683.447       89.59863 1355.686       
154.4963 1849.547       109.9830 80.27563 4.584115 93.82816 2.791987 -13.55253 
5.367429 
1 1 1 0   -12 10 o 83.37850 2.381464  1458.597       81.84107 1475.873       
128.9819 1446.954       105.8870 83.78024 3.666976 82.97676 3.039535 0.8034821 
4.762929 
1 1 1 0   -12 11 o 42.41498 2.817564  374.0690       46.85211 390.9817       
83.54362 366.3094       56.58848 43.08894 4.618155 41.74101 3.229134 1.347927 
5.635128 
1 1 1 0   -12 12 o 95.55470 2.989305  1869.590       109.4086 2052.868       
205.7213 1797.307       129.1945 98.67108 4.966043 92.43832 3.328995 6.232765 
5.978611 
1 1 1 0   -12 13 o 202.2671 4.963284  8825.652       387.4626 8302.452       
691.3234 9065.271       467.8495 197.3786 8.342616 207.1556 5.379358 -9.777023 
9.926567 
1 1 1 0   -12 14 o 53.92231 2.708919  580.5735       56.72753 697.1823       
105.9139 533.6658       67.17519 57.48870 4.388252 50.35593 3.177455 7.132774 
5.417838 
1 1 1 0   -12 15 o 44.72250 3.087338  414.3761       54.42519 444.2559       
96.56487 400.4657       65.88693 45.84512 5.017035 43.59988 3.599441 2.245239 
6.174675 
1 1 1 0   -12 16 o 117.5702 3.064281  2916.473       151.2416 2957.588       
213.8551 2875.333       213.9207 118.4035 4.302057 116.7369 4.364813 1.666611 
6.128563 
1 1 1 0   -12 17 o 172.6721 4.420321  6334.950       320.0052 5997.503       
454.7445 6665.978       450.3983 168.0525 6.445306 177.2917 6.051030 -9.239243 
8.840641 
1 1 1 0   -12 18 o 97.69916 2.804754  2019.657       113.2654 1980.928       
175.4304 2047.343       148.3232 96.84783 4.314556 98.55048 3.584853 -1.702644 
5.609507 
1 1 1 0   -12 19 o 86.48871 3.125777  1645.776       105.9321 1394.237       
178.1940 1783.257       131.7378 81.03300 5.237841 91.94441 3.412763 -10.91141 
6.251554 
1 1 1 0   -12 20 o 172.3329 3.168230  6292.196       224.9312 6258.530       
291.0070 6342.161       354.5136 171.9328 4.031491 172.7329 4.888537 
-0.8001099     6.336459 
1 1 1 0   -12 21 o 158.0975 5.507754  5443.882       363.9634 5506.536       
541.7341 5392.333       491.3854 158.6611 8.132740 157.5339 7.429667 1.127197 
11.01551 
1 1 1 0   -12 22 o 48.22738 4.223522  495.1338       85.51598 0.000000       
0.000000 495.1338       85.51598 ?        ?        48.22738 4.223522 ? ? 
1 1 1 0   -12 23 o 72.21266 3.288785  1083.271       92.34736 1212.693       
169.4373 1028.581       110.1444 74.92179 5.386690 69.50352 3.774651 5.418266 
6.577569 
1 1 1 0   -12 24 o 33.31627 4.866030  297.0679       63.56148 132.9188       
111.6855 375.7024       77.30089 24.83538 8.678006 41.79715 4.405131 -16.96177 
9.732059 
1 1 1 0   -12 25 o 96.88219 4.680166  2074.003       137.2871 2144.131       
346.5596 2060.949       149.5195 95.67941 8.627413 98.08496 3.630918 -2.405556 
9.360332 
1 1 1 0   -12 26 o 32.38518 7.053568  264.8436       96.89978 255.6810       
202.3676 267.5694       110.3759 31.59369 11.61621 33.17666 8.004677 -1.582968 
14.10714 
1 1 1 0   -12 27 o 31.80439 6.856548  257.9620       89.71828 263.1307       
196.7018 256.6042       100.8159 31.17993 11.45358 32.42886 7.540856 -1.248930 
13.71310 
1 1 1 0   -12 28 o 88.13153 4.183150  1691.733       140.0919 2002.295       
268.8605 1575.991       164.1340 91.97066 6.963037 84.29240 4.638005 7.678268 
8.366300 
1 1 1 0   -12 29 o 27.27740 6.616401  203.9160       84.10244 185.0305       
190.1614 208.5082       93.77196 26.22124 10.77040 28.33356 7.688014 -2.112320 
13.23280 
1 1 1 0   -12 30 o 28.61382 6.756376  246.7439       90.23775 264.5780       
178.4166 240.6138       104.6031 27.89806 10.75054 29.32957 8.186590 -1.431513 
13.51275 
1 1 1 0   -11 1  o 205.4015 3.070275  8884.273       241.3905 8911.614       
287.6491 8819.176       443.8568 205.9798 3.326285 204.8232 5.161606 1.156693 
6.140549 
1 1 1 0   -11 2  o 447.9668 6.307902  42488.97       1023.009 42668.12       
1180.354 41948.18       2050.797 450.3665 6.242626 445.5670 10.96303 4.799500 
12.61580 
1 1 1 0   -11 3  o 400.1187 6.135528  33614.40       1001.752 33189.77       
1271.016 34310.68       1627.588 396.9864 7.625996 403.2510 9.613688 -6.264618 
12.27106 
1 1 1 0   -11 4  f 225.5940 3.321850  10824.30       232.1494 10886.80       
254.0679 10508.26       571.3427 227.6868 2.657866 223.5013 6.088884 4.185471 
6.643701 
1 1 1 0   -11 5  o 426.8504 11.54211  38852.19       2067.952 38663.10       
2890.816 39050.36       2959.444 425.8496 16.16908 427.8511 16.47549 -2.001465 
23.08422 
1 1 1 0   -11 6  f 185.0390 5.176885  7199.566       402.1710 0.000000       
0.000000 7199.566       402.1710 ?        ?        185.0390 5.176885 ? ? 
1 1 1 0   -11 7  o 236.5462 7.315796  11816.71       724.1535 11662.49       
982.2032 12000.38       1071.878 234.9198 9.958704 238.1727 10.71950 -3.252914 
14.63159 
1 1 1 0   -11 8  f 286.0495 9.241595  17391.37       1109.514 17194.06       
1546.651 17600.57       1592.535 284.4107 12.95292 287.6883 13.18523 -3.277649 
18.48319 
1 1 1 0   -11 9  o 157.1258 4.387718  4995.663       218.8019 5516.519       
538.9120 4892.857       239.4234 161.6721 7.939693 152.5795 3.737587 9.092590 
8.775436 
1 1 1 0   -11 10 o 116.0710 3.099321  2834.044       144.2569 2831.946       
243.0809 2835.184       179.2301 116.0046 4.991104 116.1373 3.675872 
-0.1326218     6.198641 
1 1 1 0   -11 11 f 78.92501 2.626003  1343.074       81.25343 1213.511       
139.4572 1409.661       99.97593 75.94474 4.373853 81.90528 2.907399 -5.960541 
5.252005 
1 1 1 0   -11 12 o 189.2979 4.578769  7658.164       313.0803 7390.754       
625.8397 7747.423       361.5759 186.7673 7.981481 191.8286 4.489596 -5.061295 
9.157538 
1 1 1 0   -11 13 o 86.58907 2.866867  1587.411       98.54507 1551.027       
168.6269 1606.281       121.4405 85.78876 4.681849 87.38937 3.309986 -1.600609 
5.733735 
1 1 1 0   -11 14 o 73.41859 2.652952  1128.665       79.96965 1164.880       
128.0831 1105.529       102.3757 74.35631 4.102938 72.48089 3.364300 1.875420 
5.305903 
1 1 1 0   -11 15 o 93.73154 2.638599  1832.913       101.4261 1932.818       
163.7342 1770.707       129.2001 95.75199 4.072984 91.71108 3.355536 4.040909 
5.277198 
1 1 1 0   -11 16 o 116.8492 3.531941  2807.525       159.8000 3088.357       
294.7794 2690.650       190.1670 120.7331 5.815564 112.9653 4.009695 7.767853 
7.063882 
1 1 1 0   -11 17 o 107.1536 3.300068  2436.278       143.4596 2377.258       
233.8146 2471.910       181.6755 106.0244 5.252752 108.2829 3.996296 -2.258461 
6.600136 
1 1 1 0   -11 18 o 182.0384 3.994962  6981.373       298.7817 6839.746       
383.0768 7201.340       477.4101 179.8522 5.073308 184.2246 6.172555 -4.372452 
7.989924 
1 1 1 0   -11 19 o 105.7706 3.263054  2427.479       133.6940 2198.821       
234.5995 2537.455       162.6988 101.8279 5.487584 109.7132 3.532209 -7.885292 
6.526108 
1 1 1 0   -11 20 o 100.8894 3.180394  2178.177       129.8309 2066.909       
211.2468 2245.718       164.5838 98.67129 5.099416 103.1075 3.802051 -4.436234 
6.360789 
1 1 1 0   -11 21 o 107.9752 5.961228  2494.809       270.2332 2494.809       
270.2332 0.000000       0.000000 107.9752 5.961228 ?        ?        ? ? 
1 1 1 0   -11 22 o 127.8280 3.882576  3590.905       179.3889 3311.370       
352.8771 3688.320       208.3146 123.7197 6.793690 131.9364 3.760765 -8.216682 
7.765152 
1 1 1 0   -11 23 o 124.9958 4.060560  3217.518       182.2641 3672.254       
381.3456 3082.884       207.4986 129.6457 7.006187 120.3458 4.106815 9.299835 
8.121120 
1 1 1 0   -11 24 o 23.98776 5.715273  91.51048       60.96232 207.2801       
126.7512 56.67117       69.53278 29.87943 9.202503 18.09610 6.780216 11.78333 
11.43055 
1 1 1 0   -11 25 o 29.77472 5.229955  230.2117       61.20005 122.7081       
131.3563 260.0176       69.16566 24.86996 9.318933 34.67948 4.750497 -9.809521 
10.45991 
1 1 1 0   -11 26 o 104.5991 4.034984  2437.558       175.2139 2250.691       
261.1091 2590.629       236.3209 100.4561 6.191084 108.7420 5.176376 -8.285873 
8.069968 
1 1 1 0   -11 27 f 22.99711 6.573722  68.37437       84.74290 172.7366       
177.7954 37.69622       96.39699 27.61917 10.71339 18.37504 7.620925 9.244133 
13.14744 
1 1 1 0   -11 28 o 55.51407 4.690502  690.5525       98.78656 768.8068       
187.1810 660.3417       116.3024 56.55970 7.882714 54.46843 5.085867 2.091274 
9.381003 
1 1 1 0   -11 29 o 26.33040 6.449604  188.3185       87.93420 68.52142       
192.5690 219.8793       98.84102 23.27439 10.23016 29.38642 7.857060 -6.112028 
12.89921 
1 1 1 0   -11 30 o 60.03181 4.754497  828.8508       103.3879 988.0328       
211.7802 779.0436       118.4635 61.55005 8.195545 58.51358 4.822242 3.036476 
9.508994 
1 1 1 0   -11 31 o 20.32082 6.158580  80.16016       95.35736 -26.58859      
183.0046 119.9455       111.7229 19.05793 8.944826 21.58371 8.467735 -2.525774 
12.31716 
1 1 1 0   -10 1  o 194.4986 2.787068  7856.628       160.6560 7819.629       
173.6376 8076.679       423.4595 192.9818 2.143131 196.0155 5.145677 -3.033752 
5.574136 
1 1 1 0   -10 2  o 185.6598 2.484292  7192.713       183.9505 7392.474       
315.7990 7090.128       226.3071 187.5796 4.010017 183.7400 2.933699 3.839615 
4.968584 
1 1 1 0   -10 3  o 336.2339 4.760831  23793.00       671.7829 23916.78       
938.2218 23662.78       962.3257 337.1440 6.628438 335.3239 6.835632 1.820068 
9.521663 
1 1 1 0   -10 4  o 329.2798 5.949331  22669.80       776.4713 22314.93       
948.8711 23389.11       1350.911 325.6127 6.941077 332.9470 9.664348 -7.334259 
11.89866 
1 1 1 0   -10 5  o 398.6296 7.625882  33673.39       1243.114 33134.45       
1989.582 34018.52       1592.154 395.7033 11.97604 401.5558 9.444090 -5.852570 
15.25176 
1 1 1 0   -10 6  o 250.4663 3.742665  13236.92       371.4627 13048.87       
639.5164 13332.67       456.3362 249.0504 6.116255 251.8822 4.315274 -2.831879 
7.485331 
1 1 1 0   -10 7  o 376.8278 12.60444  30375.33       1991.898 30032.00       
2746.732 30756.16       2892.886 374.7307 17.45895 378.9250 18.18441 -4.194305 
25.20888 
1 1 1 0   -10 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -10 9  o 427.9427 10.09877  39003.04       1408.227 39041.08       
3264.809 38994.34       1560.895 426.0677 18.25157 429.8176 8.649888 -3.749939 
20.19753 
1 1 1 0   -10 10 o 325.7504 7.732395  22508.85       1053.100 22395.25       
1559.692 22604.04       1427.668 324.8423 11.43634 326.6585 10.41008 -1.816223 
15.46479 
1 1 1 0   -10 11 o 185.0731 4.938947  6956.882       342.4434 7821.621       
671.4701 6652.912       398.1066 192.3716 8.313937 177.7746 5.333970 14.59697 
9.877893 
1 1 1 0   -10 12 o 262.9224 6.374599  14667.02       632.7821 14617.62       
1190.215 14686.48       747.1200 262.0566 10.81811 263.7883 6.746149 -1.731720 
12.74920 
1 1 1 0   -10 13 o 232.9269 5.334558  11325.77       480.1978 11891.39       
879.4307 11085.49       573.1899 236.6492 8.851515 229.2046 5.956570 7.444641 
10.66912 
1 1 1 0   -10 14 o 102.3059 3.179931  2134.776       125.9274 2386.338       
233.2947 2031.345       149.5917 106.3578 5.224644 98.25396 3.626423 8.103798 
6.359862 
1 1 1 0   -10 15 o 50.45984 2.862791  513.9918       56.90258 600.9196       
102.8715 475.6693       68.30331 53.37908 4.590341 47.54060 3.422143 5.838474 
5.725583 
1 1 1 0   -10 16 o 29.45536 4.347769  204.4616       51.13896 128.2404       
83.51499 250.1848       64.68372 24.47753 7.455988 34.43320 4.474440 -9.955667 
8.695538 
1 1 1 0   -10 17 o 74.97071 2.969340  1183.596       86.18384 1190.747       
155.7885 1180.443       103.4568 75.06379 4.943401 74.87763 3.291002 0.1861572 
5.938679 
1 1 1 0   -10 18 o 90.07909 3.021226  1735.953       109.8698 1619.195       
178.8999 1806.659       139.2173 87.54697 4.867322 92.61120 3.580559 -5.064232 
6.042452 
1 1 1 0   -10 19 o 129.5854 3.855084  3412.760       169.9316 3803.203       
382.7154 3316.881       189.6517 133.7046 6.817901 125.4662 3.600403 8.238396 
7.710167 
1 1 1 0   -10 20 o 78.50769 3.136780  1298.059       90.71708 1312.993       
178.1488 1292.832       105.4070 78.68081 5.393060 78.33457 3.205068 0.3462372 
6.273560 
1 1 1 0   -10 21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -10 22 o 48.80704 4.123696  498.4013       77.75981 538.8444       
143.2634 481.5105       92.58463 50.00911 6.823503 47.60497 4.632417 2.404140 
8.247392 
1 1 1 0   -10 23 o 25.78686 5.862019  132.0105       67.31287 185.2647       
123.3295 109.4154       80.33354 28.89039 9.113813 22.68333 7.375056 6.207066 
11.72404 
1 1 1 0   -10 24 o 94.55865 3.323861  1952.236       111.3861 1839.815       
226.8034 1987.969       127.8689 92.22585 5.857576 96.89146 3.143407 -4.665619 
6.647722 
1 1 1 0   -10 25 o 45.13376 3.849462  420.2366       66.82972 497.4640       
126.3256 390.2231       78.75247 47.61650 6.319095 42.65101 4.398007 4.965492 
7.698924 
1 1 1 0   -10 26 o 89.10432 3.447378  1648.399       105.4506 1855.891       
233.9962 1595.522       118.1254 91.66892 6.080057 86.53972 3.251240 5.129204 
6.894756 
1 1 1 0   -10 27 o 66.51451 3.468292  960.5256       86.74780 982.0353       
164.4953 952.2390       102.0990 66.43740 5.897420 66.59162 3.651936 
-0.1542206     6.936584 
1 1 1 0   -10 28 o 31.77710 6.966869  239.2832       92.59736 323.0116       
184.2412 210.9863       107.1076 34.39182 11.16890 29.16237 8.330953 5.229456 
13.93374 
1 1 1 0   -10 29 o 84.70378 4.741226  1624.038       134.6880 1750.865       
300.1970 1592.073       150.7084 84.15946 8.496195 85.24809 4.210888 -1.088631 
9.482452 
1 1 1 0   -10 30 o 49.81520 5.910419  648.7488       97.72861 589.4675       
201.4778 666.9882       111.7561 45.16471 10.76320 54.46569 4.887303 -9.300976 
11.82084 
1 1 1 0   -10 31 o 24.53182 6.540606  173.1037       92.60337 97.58751       
185.1147 198.3092       106.9469 22.49317 9.945240 26.57046 8.497665 -4.077286 
13.08121 
1 1 1 0   -9  1  o 227.4109 2.777845  10610.12       231.9122 11390.39       
464.9007 10351.63       267.5830 232.8042 4.756532 222.0175 2.870730 10.78670 
5.555690 
1 1 1 0   -9  2  o 228.9882 3.604151  10856.94       294.5506 10712.22       
336.0730 11336.46       611.7404 225.8257 3.544714 232.1506 6.276513 -6.324860 
7.208302 
1 1 1 0   -9  3  o 199.2772 3.277287  8350.307       260.8170 8361.078       
322.5766 8329.969       443.2364 199.4976 3.851379 199.0567 5.303709 0.4408722 
6.554574 
1 1 1 0   -9  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -9  5  o 44.59892 2.325738  418.4064       43.18031 350.2016       
60.07228 491.3196       62.11111 40.83102 3.504330 48.36683 3.058742 -7.535809 
4.651476 
1 1 1 0   -9  6  o 143.8770 3.278788  4356.085       197.5711 4437.400       
271.5863 4264.678       287.9464 145.3117 4.451725 142.4423 4.814972 2.869461 
6.557577 
1 1 1 0   -9  7  o 198.2671 4.486559  8239.664       370.7994 8020.861       
492.8411 8525.087       562.8923 195.2689 6.011667 201.2652 6.661585 -5.996368 
8.973119 
1 1 1 0   -9  8  o 359.7372 7.536421  27293.14       1134.402 28069.15       
1684.154 26648.67       1534.800 364.3240 11.01071 355.1503 10.29344 9.173706 
15.07284 
1 1 1 0   -9  9  o 207.0994 4.667799  9016.235       405.8540 0.000000       
0.000000 9016.235       405.8540 ?        ?        207.0994 4.667799 ? ? 
1 1 1 0   -9  10 o 395.7117 10.21901  33434.27       1647.012 33101.16       
2666.371 33639.78       2094.329 393.3794 16.14470 398.0440 12.53242 -4.664612 
20.43802 
1 1 1 0   -9  11 o 155.8761 4.177727  5043.597       238.7051 5263.169       
476.2757 4969.941       275.8524 158.0012 7.179913 153.7511 4.273460 4.250137 
8.355453 
1 1 1 0   -9  12 f 142.2803 3.648578  4315.334       191.8781 4145.122       
370.2247 4377.847       224.3626 140.2463 6.287747 144.3144 3.703070 -4.068085 
7.297156 
1 1 1 0   -9  13 o 97.55700 2.775445  1920.903       107.2105 2242.098       
191.7520 1774.834       129.3105 103.2259 4.424581 91.88808 3.351937 11.33783 
5.550891 
1 1 1 0   -9  14 o 178.3364 4.375078  6872.511       297.3252 6330.339       
539.5930 7108.897       356.2942 172.9414 7.431703 183.7314 4.618983 -10.79001 
8.750155 
1 1 1 0   -9  15 o 153.8109 3.760188  4867.052       232.5748 5421.574       
398.7821 4581.214       286.3095 160.1857 5.929703 147.4362 4.625436 12.74953 
7.520375 
1 1 1 0   -9  16 o 251.5268 6.132462  13462.05       591.0876 13621.85       
1087.489 13395.04       704.1896 251.7179 10.29039 251.3357 6.673545 0.3822632 
12.26492 
1 1 1 0   -9  17 f 107.4198 3.351348  2443.487       140.4114 2418.100       
249.3370 2455.276       169.9151 106.8909 5.556061 107.9486 3.749177 -1.057724 
6.702697 
1 1 1 0   -9  18 o 99.74744 3.093427  2124.623       113.2689 2047.340       
220.9544 2152.172       131.9218 98.37373 5.349887 101.1211 3.107389 -2.747421 
6.186853 
1 1 1 0   -9  19 o 123.8481 3.340703  3228.617       152.8553 3261.890       
298.7947 3216.822       177.8960 124.1022 5.734748 123.5939 3.428390 0.5083160 
6.681407 
1 1 1 0   -9  20 o 28.29727 5.688638  157.2864       63.73434 222.0816       
127.3608 135.6391       73.61489 31.73714 9.090299 24.85741 6.841700 6.879730 
11.37728 
1 1 1 0   -9  21 o 52.44500 3.879671  580.6710       85.42361 0.000000       
0.000000 580.6710       85.42361 ?        ?        52.44500 3.879671 ? ? 
1 1 1 0   -9  22 o 17.30466 5.309564  -6.399227      66.80753 -10.33506      
120.1248 -4.636704      80.38626 18.93139 8.199552 15.67792 6.747832 3.253469 
10.61913 
1 1 1 0   -9  23 o 54.93002 3.746061  630.9200       77.15266 673.5669       
149.0868 615.3215       90.16508 55.97479 6.344067 53.88526 3.985561 2.089527 
7.492121 
1 1 1 0   -9  24 o 92.09236 3.120085  1728.427       110.6305 2002.434       
208.2260 1620.660       130.5862 96.72852 5.127450 87.45620 3.556541 9.272324 
6.240170 
1 1 1 0   -9  25 o 29.77505 5.311459  226.3675       61.89600 114.2278       
136.7776 255.2456       69.40966 25.05547 9.480266 34.49464 4.792800 -9.439169 
10.62292 
1 1 1 0   -9  26 o 43.05616 4.049393  375.5200       63.77916 466.6449       
132.0104 347.7726       72.84514 45.86031 6.856338 40.25201 4.310564 5.608307 
8.098785 
1 1 1 0   -9  27 o 81.30092 3.299791  1418.310       98.03142 1463.262       
194.9805 1403.102       113.4076 81.52090 5.696960 81.08094 3.331535 0.4399643 
6.599582 
1 1 1 0   -9  28 o 55.62596 5.066353  794.7049       82.83179 586.2701       
186.5742 845.8732       92.44146 48.47611 9.506276 62.77581 3.507482 -14.29971 
10.13271 
1 1 1 0   -9  29 f 57.59279 4.941282  769.8327       105.5905 768.6115       
201.0014 770.2981       124.0922 56.20938 8.517482 58.97619 5.011745 -2.766808 
9.882565 
1 1 1 0   -9  30 o 43.07171 6.372028  489.0229       101.2250 450.2430       
194.5945 503.4093       118.5229 39.34215 11.22610 46.80127 6.032063 -7.459118 
12.74406 
1 1 1 0   -9  31 o 27.67141 7.057691  180.8840       96.02365 338.8386       
185.6893 123.2265       112.1886 32.75533 11.21270 22.58750 8.574338 10.16782 
14.11538 
1 1 1 0   -9  32 o 32.26593 7.335584  316.3436       104.8322 414.6100       
198.4091 278.2863       123.4746 33.77457 11.58893 30.75728 8.996657 3.017296 
14.67117 
1 1 1 0   -8  1  o 180.7693 1.921022  6820.824       144.5475 7166.817       
221.5037 6564.197       190.7650 184.7344 2.855973 176.8043 2.569964 7.930176 
3.842044 
1 1 1 0   -8  2  o 144.8265 2.449687  4404.001       147.5974 4393.232       
195.8633 4418.153       224.5293 144.6277 3.225690 145.0253 3.687654 
-0.3976746     4.899374 
1 1 1 0   -8  3  o 124.1106 2.618892  3215.758       131.6928 3161.140       
165.1171 3311.240       218.3151 122.6823 3.205761 125.5388 4.142159 -2.856537 
5.237784 
1 1 1 0   -8  4  o 86.83971 2.320335  1542.497       82.04165 1749.847       
136.8805 1426.246       102.4913 91.27064 3.572167 82.40877 2.962337 8.861870 
4.640670 
1 1 1 0   -8  5  o 87.38756 2.287524  1595.198       82.43805 1558.938       
106.4275 1649.586       130.3452 86.15704 2.942282 88.61806 3.503432 -2.461021 
4.575047 
1 1 1 0   -8  6  o 213.5777 4.836605  9603.656       433.4673 9437.393       
619.5108 9763.126       606.7198 211.7558 6.968426 215.3997 6.709100 -3.643890 
9.673210 
1 1 1 0   -8  7  o 88.90249 2.597047  1659.508       96.90501 1607.020       
135.4433 1714.553       138.7036 87.46275 3.688549 90.34222 3.656942 -2.879471 
5.194094 
1 1 1 0   -8  8  o 482.4770 8.756505  48943.41       1434.951 49899.07       
3169.680 48697.07       1609.309 484.1855 15.59282 480.7684 7.973051 3.417145 
17.51301 
1 1 1 0   -8  9  o 542.9086 7.571054  62667.27       1701.500 64675.42       
2248.168 59974.66       2603.265 553.4940 9.674688 532.3232 11.64834 21.17078 
15.14211 
1 1 1 0   -8  10 o 51.67159 2.923463  552.5633       58.49084 583.0734       
106.9675 539.5496       69.86008 52.66297 4.838017 50.68021 3.283309 1.982761 
5.846925 
1 1 1 0   -8  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -8  12 o 122.4813 2.894139  3144.196       148.1747 3058.498       
199.2818 3250.155       221.5905 120.6269 3.934998 124.3356 4.244991 -3.708679 
5.788277 
1 1 1 0   -8  13 o 106.2079 3.015417  2390.367       133.3952 2171.133       
195.2531 2582.260       182.6733 101.5914 4.577856 110.8245 3.926091 -9.233093 
6.030834 
1 1 1 0   -8  14 f 214.2807 5.647272  9579.859       476.8928 10107.21       
843.2228 9331.859       578.2570 218.2794 9.201333 210.2820 6.549978 7.997360 
11.29454 
1 1 1 0   -8  15 o 70.75954 2.896002  1063.755       79.80247 1026.779       
141.2545 1081.090       96.71603 69.81247 4.819370 71.70660 3.212628 -1.894127 
5.792004 
1 1 1 0   -8  16 o 91.50076 2.815216  1784.874       102.2223 1694.107       
173.6817 1832.979       126.4418 89.65076 4.614464 93.35075 3.226220 -3.699997 
5.630433 
1 1 1 0   -8  17 o 201.1454 4.282419  8601.588       359.3437 8214.040       
531.9485 8926.879       487.3524 196.8489 6.436616 205.4419 5.650347 -8.593033 
8.564838 
1 1 1 0   -8  18 o 105.6091 2.967823  2394.311       128.8791 2095.060       
195.4818 2624.391       171.4070 99.60776 4.674489 111.6104 3.658010 -12.00265 
5.935646 
1 1 1 0   -8  19 o 84.44446 3.000759  1436.682       100.6023 1710.713       
179.4944 1311.173       121.4753 89.99991 4.750397 78.88902 3.667689 11.11089 
6.001518 
1 1 1 0   -8  20 o 156.1652 4.417770  5181.495       287.9942 5244.767       
388.5427 5104.348       429.0313 157.3188 5.882734 155.0116 6.592435 2.307190 
8.835540 
1 1 1 0   -8  21 o 230.3004 6.728823  11451.26       582.0538 11445.27       
1101.498 11453.58       685.5896 228.8176 11.46609 231.7833 7.045360 -2.965622 
13.45765 
1 1 1 0   -8  22 o 39.95552 5.227496  405.8109       78.06129 203.3564       
130.9453 517.4239       97.22623 30.48460 9.346339 49.42644 4.685383 -18.94184 
10.45499 
1 1 1 0   -8  23 o 39.72552 4.932959  319.0523       74.52654 417.9120       
139.5004 279.5671       88.16227 43.27445 7.977616 36.17659 5.804653 7.097862 
9.865918 
1 1 1 0   -8  24 o 74.00388 3.139292  1111.168       89.88943 1301.316       
168.0839 1035.003       106.3799 78.08249 5.127355 69.92528 3.623651 8.157211 
6.278584 
1 1 1 0   -8  25 o 88.17480 3.322459  1628.493       112.8023 1743.692       
208.6387 1580.909       134.0902 90.04243 5.519107 86.30718 3.700592 3.735245 
6.644917 
1 1 1 0   -8  26 o 64.73743 3.381792  866.9768       81.44106 974.7426       
161.1062 829.9853       94.38940 67.01323 5.726284 62.46162 3.599408 4.551613 
6.763584 
1 1 1 0   -8  27 o 136.1491 3.709814  3931.950       159.4816 4184.324       
388.6524 3880.850       174.8835 137.1651 6.748989 135.1330 3.082538 2.032104 
7.419629 
1 1 1 0   -8  28 o 40.19259 5.240127  406.0034       72.40666 312.9009       
144.1621 437.4134       83.73447 35.44730 9.494080 44.93788 4.438261 -9.490585 
10.48025 
1 1 1 0   -8  29 o 51.19578 4.164991  572.9745       79.34283 620.0943       
154.5494 556.1110       92.45688 51.85220 7.099392 50.53935 4.357432 1.312847 
8.329982 
1 1 1 0   -8  30 o 31.25098 6.949385  207.8117       94.57140 415.0351       
184.9450 134.4433       110.0469 38.54605 10.92679 23.95591 8.589598 14.59014 
13.89877 
1 1 1 0   -8  31 o 23.60229 6.555782  127.4612       96.33878 23.93273       
186.6460 165.0602       112.4804 21.79574 9.787102 25.40884 8.725007 -3.613100 
13.11156 
1 1 1 0   -8  32 f 32.33212 6.966510  322.3611       101.3333 283.3787       
200.5884 335.7188       117.4180 29.15995 11.36531 35.50428 8.059700 -6.344330 
13.93302 
1 1 1 0   -7  1  o 318.6357 3.750803  21419.24       475.6545 21103.25       
811.5659 21584.58       587.0521 316.7653 6.102494 320.5061 4.362761 -3.740845 
7.501607 
1 1 1 0   -7  2  o 83.82700 1.791941  1499.978       59.88664 1558.076       
74.67837 1395.298       100.2419 86.14349 2.064873 81.51052 2.929251 4.632965 
3.583882 
1 1 1 0   -7  3  o 463.2809 4.601702  44983.54       852.3347 44604.11       
1053.017 45704.43       1451.455 460.6092 5.445324 465.9526 7.419641 -5.343414 
9.203403 
1 1 1 0   -7  4  o 409.3069 8.063952  35324.24       1381.564 36389.44       
2046.501 34432.29       1872.700 414.8798 11.74927 403.7341 11.04826 11.14572 
16.12790 
1 1 1 0   -7  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -7  6  o 146.3874 2.509233  4478.867       147.8428 4579.903       
248.5047 4423.515       183.9349 147.6455 4.008995 145.1293 3.018770 2.516144 
5.018467 
1 1 1 0   -7  7  o 456.6589 8.279762  44185.00       1528.212 43768.34       
2522.739 44426.54       1920.742 454.4972 13.22093 458.8207 9.971195 -4.323517 
16.55952 
1 1 1 0   -7  8  o 237.0341 3.444333  11718.79       340.9027 12660.87       
515.8086 10988.15       454.2548 245.4188 5.006127 228.6494 4.732063 16.76933 
6.888667 
1 1 1 0   -7  9  o 303.3723 5.694182  18941.24       534.5651 20065.73       
1345.353 18730.43       582.5239 308.2198 10.39674 298.5247 4.647875 9.695007 
11.38836 
1 1 1 0   -7  10 o 487.9914 8.317439  51178.11       1320.188 49187.31       
3041.208 51640.36       1465.468 480.7457 15.06787 495.2371 7.048298 -14.49136 
16.63488 
1 1 1 0   -7  11 o 202.3949 5.147307  8663.900       358.7283 8567.729       
772.7742 8690.316       405.0105 201.4737 9.135983 203.3161 4.744775 -1.842361 
10.29461 
1 1 1 0   -7  12 o 201.1512 5.253532  8511.074       443.6627 0.000000       
0.000000 8511.074       443.6627 ?        ?        201.1512 5.253532 ? ? 
1 1 1 0   -7  13 o 89.61737 2.649636  1689.646       99.58964 1634.349       
142.4908 1742.455       139.2472 88.17947 3.848935 91.05527 3.642524 -2.875809 
5.299272 
1 1 1 0   -7  14 o 40.18716 3.876442  368.7414       58.90395 264.3942       
94.07847 436.0236       75.54398 34.83635 6.670376 45.53798 3.951365 -10.70163 
7.752883 
1 1 1 0   -7  15 o 245.8702 5.996323  12563.75       483.5952 13207.10       
1126.829 12418.50       535.4088 248.9507 10.78117 242.7898 5.252621 6.160812 
11.99265 
1 1 1 0   -7  16 o 145.8478 3.316467  4478.971       200.9980 4464.918       
265.7446 4497.758       307.2621 145.6174 4.346825 146.0782 5.010082 
-0.4607391     6.632934 
1 1 1 0   -7  17 o 86.17030 2.733764  1555.691       97.23650 1605.215       
153.2011 1522.283       125.8302 87.29082 4.180367 85.04977 3.523973 2.241043 
5.467527 
1 1 1 0   -7  18 o 97.49304 2.745688  2002.540       112.2808 1889.274       
157.5630 2119.401       160.0441 94.68472 3.963651 100.3014 3.800616 -5.616638 
5.491376 
1 1 1 0   -7  19 o 99.23367 2.939485  2150.095       114.3681 1859.419       
193.5524 2306.029       141.7637 93.80557 4.914631 104.6618 3.226249 -10.85621 
5.878970 
1 1 1 0   -7  20 o 92.75887 5.596341  1821.410       217.9408 1821.410       
217.9408 0.000000       0.000000 92.75887 5.596341 ?        ?        ? ? 
1 1 1 0   -7  21 o 153.1694 4.138894  4898.902       242.0919 5150.826       
452.7082 4798.006       286.4987 155.5909 6.930349 150.7479 4.526814 4.843079 
8.277788 
1 1 1 0   -7  22 o 100.7754 3.526873  2148.267       140.0279 2154.911       
244.7343 2145.033       170.7366 100.7443 5.786228 100.8065 4.034218 
-0.6220245E-01 7.053747 
1 1 1 0   -7  23 o 81.72929 3.324594  1441.144       104.4244 1352.028       
187.5997 1481.152       125.6977 79.69765 5.606705 83.76095 3.574431 -4.063301 
6.649188 
1 1 1 0   -7  24 o 153.4070 3.646690  4941.665       211.0166 5179.319       
402.1717 4851.382       247.8781 155.4341 6.162916 151.3799 3.900237 4.054214 
7.293379 
1 1 1 0   -7  25 o 114.5660 3.127971  2771.799       145.3172 2872.209       
240.5490 2714.097       182.3523 115.9992 4.939348 113.1328 3.839226 2.866348 
6.255943 
1 1 1 0   -7  26 o 87.44391 3.210356  1608.802       109.2248 1703.073       
197.7755 1567.432       131.0173 88.97643 5.294422 85.91139 3.632443 3.065033 
6.420712 
1 1 1 0   -7  27 f 21.89022 5.641944  39.11228       64.67748 199.7545       
128.8496 -14.99779      74.78116 29.34745 9.321427 14.43299 6.359018 14.91446 
11.28389 
1 1 1 0   -7  28 o 38.51527 5.156432  330.6178       71.79967 361.3115       
142.1241 320.0998       83.19697 38.70306 8.923163 38.32748 5.170331 0.3755875 
10.31286 
1 1 1 0   -7  29 o 18.11238 5.278466  29.71826       68.83864 -123.7650      
137.2520 81.30355       79.57035 16.17505 7.633340 20.04972 7.292525 -3.874678 
10.55693 
1 1 1 0   -7  30 o 30.26204 6.047452  179.0920       72.86641 367.0806       
150.0918 121.1221       83.34749 37.73220 9.479166 22.79188 7.512131 14.94032 
12.09490 
1 1 1 0   -7  31 o 20.23886 5.996849  8.185254       83.38371 160.7553       
149.8952 -60.18383      100.3420 25.82858 9.879920 14.64914 6.799702 11.17944 
11.99370 
1 1 1 0   -7  32 o 73.93185 4.571424  1197.673       120.8645 1497.019       
256.0541 1111.855       137.0993 77.37589 7.882195 70.48781 4.632785 6.888084 
9.142849 
1 1 1 0   -7  33 f 21.58008 6.598798  92.74502       99.85773 108.0034       
199.9497 87.67477       115.2608 22.88864 10.20743 20.27151 8.365702 2.617125 
13.19760 
1 1 1 0   -6  1  o 229.2497 3.752194  10649.83       245.4578 10510.52       
262.8412 11599.73       686.3484 223.7180 2.798424 234.7813 6.963093 -11.06328 
7.504388 
1 1 1 0   -6  2  o 181.4796 3.306361  6953.755       205.7602 6865.072       
445.8294 6977.757       231.9395 180.6824 5.877249 182.2769 3.030848 -1.594574 
6.612722 
1 1 1 0   -6  3  o 102.5540 2.474905  2211.141       105.8842 2227.218       
142.2483 2191.166       158.5623 102.9762 3.290268 102.1319 3.697938 0.8442688 
4.949809 
1 1 1 0   -6  4  o 241.6873 3.864820  12334.65       327.5338 12182.31       
688.0714 12379.28       372.4362 240.6161 6.811297 242.7586 3.654251 -2.142456 
7.729639 
1 1 1 0   -6  5  o 319.2508 6.472713  21464.12       866.3480 21907.38       
1264.081 21071.48       1189.701 322.3274 9.341116 316.1743 8.962567 6.153076 
12.94543 
1 1 1 0   -6  6  o 305.6323 5.311190  19694.53       676.5449 19422.86       
1016.366 19910.68       906.5767 303.6806 7.971759 307.5840 7.020401 -3.903412 
10.62238 
1 1 1 0   -6  7  o 416.5204 6.891333  37815.57       995.3932 34437.06       
2077.402 38822.38       1134.052 403.4392 12.26488 429.6015 6.287650 -26.16226 
13.78267 
1 1 1 0   -6  8  o 326.7863 5.015141  22494.91       687.2330 22891.54       
953.9386 22066.95       990.9034 329.8082 6.889378 323.7645 7.289927 6.043701 
10.03028 
1 1 1 0   -6  9  o 381.7108 6.812088  31070.21       943.6099 30085.54       
1875.312 31404.04       1091.908 377.1205 11.84443 386.3011 6.732574 -9.180603 
13.62418 
1 1 1 0   -6  10 o 341.1042 5.882371  24713.70       614.0337 24240.82       
1536.973 24803.51       669.8091 338.6805 10.80929 343.5279 4.644191 -4.847351 
11.76474 
1 1 1 0   -6  11 f 259.3172 4.620241  14221.30       494.4412 13767.69       
767.1654 14543.60       646.6658 255.6963 7.146371 262.9380 5.857976 -7.241653 
9.240482 
1 1 1 0   -6  12 o 96.12723 2.576971  1902.982       90.62211 2020.022       
182.1600 1864.489       104.4669 98.03214 4.425941 94.22233 2.640864 3.809807 
5.153942 
1 1 1 0   -6  13 o 58.91935 3.175332  702.6180       72.31180 799.3264       
134.8346 663.5730       85.67468 61.64335 5.209983 56.19536 3.631392 5.447990 
6.350664 
1 1 1 0   -6  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -6  15 o 113.2661 3.413999  2713.059       157.6909 2644.139       
253.6766 2756.462       201.3115 112.0520 5.392397 114.4801 4.188509 -2.428116 
6.827998 
1 1 1 0   -6  16 o 63.12891 2.999489  813.3853       75.15234 915.2604       
132.8636 765.4567       91.13177 65.92592 4.800330 60.33190 3.597857 5.594017 
5.998978 
1 1 1 0   -6  17 o 156.2833 4.161900  5135.809       266.0205 5256.666       
429.8199 5060.771       338.6809 157.6649 6.493405 154.9017 5.207815 2.763229 
8.323800 
1 1 1 0   -6  18 o 75.71447 2.759876  1235.969       85.06197 1071.213       
132.4704 1351.563       110.9596 71.28336 4.426409 80.14558 3.297662 -8.862228 
5.519753 
1 1 1 0   -6  19 o 82.37627 3.326469  1347.034       96.16980 1591.791       
210.2803 1282.301       108.1421 86.70530 5.776623 78.04723 3.300337 8.658073 
6.652939 
1 1 1 0   -6  20 o 24.03419 9.030954  93.18027       123.5329 0.000000       
0.000000 93.18027       123.5329 ?        ?        24.03419 9.030954 ? ? 
1 1 1 0   -6  21 o 121.0467 3.958345  3101.452       186.7082 3102.899       
332.9292 3100.788       225.5071 120.8772 6.560375 121.2162 4.431194 
-0.3389664     7.916691 
1 1 1 0   -6  22 o 18.43752 5.518933  -13.34660      67.86938 65.07092       
127.9123 -44.07405      80.06989 22.86401 9.032317 14.01103 6.344425 8.852979 
11.03787 
1 1 1 0   -6  23 o 56.80662 3.761238  605.6351       79.31915 862.1506       
164.6388 528.0988       90.51659 63.63150 6.162845 49.98174 4.313580 13.64976 
7.522475 
1 1 1 0   -6  24 o 88.66588 2.955639  1568.099       99.76033 1895.286       
193.2107 1449.165       116.4893 94.47183 4.871357 82.85992 3.348595 11.61191 
5.911278 
1 1 1 0   -6  25 o 147.6731 3.679937  4614.485       215.1660 4769.217       
374.8327 4538.441       262.7716 149.1182 5.987255 146.2280 4.280248 2.890259 
7.359874 
1 1 1 0   -6  26 o 78.44154 3.261238  1314.470       96.18714 1307.655       
181.8612 1317.117       113.3372 78.02084 5.552011 78.86223 3.423137 
-0.8413849     6.522477 
1 1 1 0   -6  27 o 30.63869 4.834052  282.0784       62.97644 5.928142       
135.1172 358.7175       71.18084 20.28108 8.738935 40.99630 4.135610 -20.71522 
9.668104 
1 1 1 0   -6  28 o 88.03525 3.420676  1633.108       108.5649 1756.745       
222.6871 1594.560       124.3426 89.54412 5.923509 86.52638 3.422886 3.017738 
6.841353 
1 1 1 0   -6  29 o 23.64191 5.739141  125.2510       62.97430 81.09672       
139.9685 136.4574       70.51440 23.02741 9.316480 24.25640 6.704787 -1.228998 
11.47828 
1 1 1 0   -6  30 o 27.78298 5.643355  199.3909       65.57547 122.1519       
144.2254 219.5195       73.62585 24.65184 9.631228 30.91413 5.884663 -6.262287 
11.28671 
1 1 1 0   -6  31 o 35.75821 5.585961  380.7527       76.64481 165.6432       
159.0768 445.7851       87.46654 26.51416 10.16760 45.00226 4.629442 -18.48810 
11.17192 
1 1 1 0   -6  32 o 24.68859 6.625918  135.2146       90.25709 199.8192       
156.9255 103.2781       110.3331 27.48187 10.20776 21.89531 8.450604 5.586567 
13.25184 
1 1 1 0   -6  33 o 37.92394 7.160470  361.7823       105.3338 609.5035       
209.8376 278.3336       121.7900 44.18670 11.27294 31.66118 8.832337 12.52552 
14.32094 
1 1 1 0   -6  34 o 38.55674 7.179356  432.2055       106.9489 558.0522       
213.2887 389.9361       123.6119 39.29753 11.90443 37.81595 8.028521 1.481575 
14.35871 
1 1 1 0   -5  1  o 234.4133 3.611994  11762.50       321.4855 12063.35       
383.2313 11047.93       590.6245 239.6343 3.809193 229.1922 6.138081 10.44211 
7.223987 
1 1 1 0   -5  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -5  3  o 244.8298 3.078460  12448.68       284.1703 12927.26       
541.8703 12267.13       333.7460 247.9871 5.204599 241.6726 3.289348 6.314560 
6.156919 
1 1 1 0   -5  4  o 250.2020 3.447861  13046.54       323.4857 12913.72       
379.0330 13402.72       620.6857 247.9444 3.641194 252.4597 5.855997 -4.515274 
6.895722 
1 1 1 0   -5  5  o 131.3959 3.083542  3639.868       167.4137 3698.701       
219.1609 3557.439       259.4145 132.6869 3.934197 130.1049 4.749214 2.582016 
6.167085 
1 1 1 0   -5  6  o 307.0337 5.561698  19510.59       479.0675 20315.13       
1351.030 19394.88       512.3605 310.2316 10.37289 303.8358 4.016593 6.395813 
11.12340 
1 1 1 0   -5  7  o 339.4497 4.600376  24429.98       617.1440 24813.34       
757.8294 23675.16       1063.375 343.5636 5.253942 335.3358 7.553139 8.227875 
9.200751 
1 1 1 0   -5  8  o 164.0883 2.429446  5638.289       155.9195 5608.348       
188.5999 5702.938       277.1351 163.4206 2.748881 164.7561 4.006555 -1.335526 
4.858892 
1 1 1 0   -5  9  o 509.3625 9.887033  55097.22       1988.052 54850.36       
3453.736 55219.55       2431.230 507.5984 16.20653 511.1266 11.32970 -3.528198 
19.77407 
1 1 1 0   -5  10 o 625.7247 10.76836  83852.59       2441.036 82026.19       
4868.920 84465.79       2821.210 619.0986 18.73242 632.3508 10.62670 -13.25214 
21.53672 
1 1 1 0   -5  11 o 218.1280 4.268801  10064.14       380.3192 9765.563       
608.5665 10255.48       487.1698 215.4026 6.729427 220.8534 5.254088 -5.450729 
8.537601 
1 1 1 0   -5  12 o 209.3658 4.069926  9280.529       342.9302 9006.821       
568.9100 9436.739       429.7889 206.8614 6.550661 211.8701 4.831773 -5.008713 
8.139852 
1 1 1 0   -5  13 o 331.0495 5.350748  23197.90       739.1341 22023.69       
1090.809 24194.72       1005.038 323.1860 8.039280 338.9130 7.063426 -15.72699 
10.70150 
1 1 1 0   -5  14 o 161.0027 3.745591  5446.896       252.8572 5327.094       
347.4104 5581.850       368.7294 159.1291 5.200130 162.8764 5.392259 -3.747253 
7.491182 
1 1 1 0   -5  15 o 157.3435 5.198061  5210.439       343.3754 0.000000       
0.000000 5210.439       343.3754 ?        ?        157.3435 5.198061 ? ? 
1 1 1 0   -5  16 o 13.84702 4.398551  -36.64904      53.30585 -100.2588      
92.72624 -5.250863      65.14678 13.52960 6.353178 14.16443 6.084910 
-0.6348314     8.797102 
1 1 1 0   -5  17 o 128.2225 3.703190  3423.619       179.1165 3560.919       
341.2466 3371.407       210.4355 129.8632 6.258977 126.5819 3.959756 3.281258 
7.406380 
1 1 1 0   -5  18 o 77.15742 2.738238  1247.698       86.04535 1275.896       
140.5782 1230.804       108.8088 77.82588 4.302441 76.48898 3.388333 1.336906 
5.476477 
1 1 1 0   -5  19 o 217.5185 6.665616  10157.12       575.9781 10080.47       
986.2336 10196.80       709.5593 216.1642 10.86719 218.8729 7.721786 -2.708694 
13.33123 
1 1 1 0   -5  20 o 194.3467 5.290013  7988.693       431.6313 0.000000       
0.000000 7988.693       431.6313 ?        ?        194.3467 5.290013 ? ? 
1 1 1 0   -5  21 o 207.9226 4.950975  9179.959       430.1278 9351.124       
642.8544 9041.221       578.7659 209.5533 7.307002 206.2920 6.682541 3.261292 
9.901951 
1 1 1 0   -5  22 o 139.1784 3.589633  4043.488       199.3021 4260.214       
343.7396 3933.733       244.6161 141.8079 5.773647 136.5490 4.266952 5.258957 
7.179267 
1 1 1 0   -5  23 o 147.6996 4.385314  4563.110       259.4477 4878.356       
444.8201 4400.567       319.4058 151.2561 7.004748 144.1430 5.278013 7.113174 
8.770628 
1 1 1 0   -5  24 o 105.7728 3.254251  2326.024       130.5428 2471.428       
247.5909 2270.039       153.6324 107.8272 5.469247 103.7183 3.528161 4.108818 
6.508501 
1 1 1 0   -5  25 o 119.9210 3.522697  2878.991       153.8049 3429.308       
318.8907 2712.166       175.5765 126.5910 6.000124 113.2511 3.692708 13.33986 
7.045395 
1 1 1 0   -5  26 o 126.0955 3.857580  3328.722       176.5222 3555.177       
358.5396 3256.268       202.8047 128.2663 6.658027 123.9247 3.897995 4.341660 
7.715159 
1 1 1 0   -5  27 o 31.77201 5.535363  187.4841       62.75990 328.1602       
140.1787 152.2168       70.18732 37.57224 8.993002 25.97178 6.456538 11.60045 
11.07073 
1 1 1 0   -5  28 o 89.99183 3.236584  1757.239       110.6342 1694.359       
203.8297 1783.500       131.7267 88.39496 5.492384 91.58870 3.425730 -3.193741 
6.473168 
1 1 1 0   -5  29 o 85.93953 3.127598  1530.585       101.9413 1738.992       
195.8363 1453.125       119.3922 89.35203 5.220474 82.52704 3.445884 6.824989 
6.255195 
1 1 1 0   -5  30 o 44.18539 4.668309  361.7819       76.30672 675.4944       
155.6633 262.5518       87.54709 54.62475 6.787624 33.74604 6.410974 20.87871 
9.336617 
1 1 1 0   -5  31 o 70.78893 3.607965  1126.827       93.80122 1065.499       
180.2315 1149.610       109.8512 68.53235 6.264063 73.04549 3.582058 -4.513145 
7.215929 
1 1 1 0   -5  32 o 31.08897 5.674058  275.8231       78.45518 113.6096       
158.1107 328.8092       90.36471 24.06961 9.842716 38.10833 5.648068 -14.03872 
11.34812 
1 1 1 0   -5  33 o 36.38379 6.131459  321.6711       81.52445 414.7371       
169.0080 293.4498       93.06792 37.97982 10.32828 34.78777 6.611031 3.192047 
12.26292 
1 1 1 0   -5  34 o 26.77544 6.233088  222.7823       97.40311 19.32733       
181.6717 304.8604       115.3897 20.29882 9.313899 33.25207 8.285941 -12.95325 
12.46618 
1 1 1 0   -4  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -4  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -4  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -4  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -4  5  o 266.2078 5.359234  14631.09       525.1453 15521.96       
1045.197 14330.26       607.3754 271.3423 9.174908 261.0732 5.541355 10.26910 
10.71847 
1 1 1 0   -4  6  o 122.6945 2.385224  3164.232       122.2885 3137.650       
181.5797 3186.295       165.4305 122.2189 3.538749 123.1700 3.199129 
-0.9510040     4.770448 
1 1 1 0   -4  7  o 235.1169 4.170590  11890.53       357.5821 11086.84       
698.9446 12175.46       416.1696 229.5047 7.253910 240.7291 4.117776 -11.22440 
8.341181 
1 1 1 0   -4  8  o 63.19094 1.998205  806.8224       50.00293 933.1010       
89.27296 749.0950       60.35966 66.65380 3.190187 59.72808 2.407073 6.925716 
3.996410 
1 1 1 0   -4  9  o 196.2084 4.041142  7916.229       287.6343 8452.253       
586.2857 7746.314       330.0896 200.4036 6.968267 192.0131 4.094699 8.390518 
8.082284 
1 1 1 0   -4  10 o 170.2968 2.174603  6079.811       153.8734 6167.444       
235.9025 6014.916       203.0040 171.3570 3.279078 169.2366 2.857139 2.120346 
4.349207 
1 1 1 0   -4  11 o 400.8541 6.468138  33423.00       1051.604 35663.97       
1752.097 32161.16       1314.747 410.9943 10.15415 390.7139 8.015018 20.28036 
12.93628 
1 1 1 0   -4  12 o 108.5964 2.656172  2446.290       110.5029 2554.177       
205.4179 2402.355       131.0857 110.2419 4.438259 106.9508 2.919392 3.291092 
5.312344 
1 1 1 0   -4  13 f 318.3068 6.104412  21178.45       726.6429 21793.81       
1400.154 20951.62       850.0832 321.1044 10.38606 315.5092 6.417569 5.595215 
12.20882 
1 1 1 0   -4  14 o 170.0567 3.489828  6095.540       235.8936 6037.049       
404.0705 6125.780       290.5443 169.3877 5.681935 170.7256 4.053544 -1.337845 
6.979656 
1 1 1 0   -4  15 o 102.8583 2.206535  2225.725       95.15679 2135.750       
136.2279 2311.455       132.9751 100.8229 3.218312 104.8937 3.019546 -4.070847 
4.413070 
1 1 1 0   -4  16 o 209.5703 5.695767  9248.855       468.0831 9373.421       
827.7350 9190.294       567.5460 210.3561 9.372539 208.7845 6.474764 1.571686 
11.39153 
1 1 1 0   -4  17 o 112.1388 4.066615  2645.400       191.4555 2645.400       
191.4555 0.000000       0.000000 112.1388 4.066615 ?        ?        ? ? 
1 1 1 0   -4  18 o 151.4156 4.442187  4695.096       265.9815 5283.867       
473.6339 4423.884       321.4569 157.9934 7.140439 144.8379 5.286420 13.15556 
8.884374 
1 1 1 0   -4  19 o 148.1286 7.768681  4663.566       483.1313 4663.566       
483.1313 0.000000       0.000000 148.1286 7.768681 ?        ?        ? ? 
1 1 1 0   -4  20 o 75.90726 3.242740  1178.639       94.19335 1306.632       
177.7251 1128.643       111.0769 78.60935 5.385124 73.20515 3.614126 5.404198 
6.485481 
1 1 1 0   -4  21 o 140.0146 4.181976  4171.081       224.2925 4114.610       
410.7134 4195.080       267.7426 139.0597 7.034914 140.9696 4.523901 -1.909973 
8.363953 
1 1 1 0   -4  22 o 115.5138 3.813191  2644.226       150.0871 3136.868       
342.0835 2526.788       167.0210 121.5087 6.705729 109.5189 3.632480 11.98980 
7.626382 
1 1 1 0   -4  23 o 153.4133 4.512812  5061.699       265.9695 4839.443       
480.4587 5159.903       319.3678 150.5803 7.599920 156.2462 4.868583 -5.665955 
9.025623 
1 1 1 0   -4  24 o 122.3604 3.589891  2983.532       148.7272 3500.053       
340.9670 2862.165       165.2793 128.1945 6.335255 116.5264 3.378433 11.66812 
7.179781 
1 1 1 0   -4  25 o 92.23630 3.213824  1702.749       110.4088 2024.810       
220.9776 1595.603       127.4584 97.54000 5.396181 86.93260 3.492262 10.60740 
6.427648 
1 1 1 0   -4  26 o 42.24156 4.601297  406.0354       71.38340 349.3264       
127.7400 431.7855       86.07768 39.40412 8.000114 45.07900 4.548177 -5.674877 
9.202595 
1 1 1 0   -4  27 o 85.81039 3.311448  1618.022       110.2349 1440.101       
191.6284 1706.019       134.7656 81.89330 5.573558 89.72747 3.577459 -7.834167 
6.622897 
1 1 1 0   -4  28 o 86.68128 3.375437  1626.985       111.7324 1573.043       
204.2079 1650.034       133.4861 85.25011 5.705563 88.11245 3.608443 -2.862335 
6.750875 
1 1 1 0   -4  29 o 90.92461 3.177386  1750.803       110.6624 1846.677       
205.6259 1711.713       131.2979 92.21408 5.311311 89.63515 3.488997 2.578934 
6.354772 
1 1 1 0   -4  30 o 100.9833 3.316347  2220.068       123.4131 2195.730       
239.7054 2228.846       143.9591 99.80216 5.720829 102.1644 3.356300 -2.362213 
6.632694 
1 1 1 0   -4  31 o 24.68471 6.195967  132.2837       71.40652 140.9656       
153.7122 129.8945       80.63535 25.80953 9.971729 23.55989 7.356945 2.249649 
12.39193 
1 1 1 0   -4  32 o 46.54782 4.970786  550.4944       79.05901 419.8484       
149.3520 601.3536       93.18540 40.61648 8.997042 52.47916 4.229432 -11.86268 
9.941572 
1 1 1 0   -4  33 o 46.52621 4.912196  509.1154       80.07523 530.5026       
159.5030 501.9089       92.58854 45.50763 8.660439 47.54478 4.638477 -2.037151 
9.824392 
1 1 1 0   -4  34 o 23.48504 6.472686  109.5662       77.44196 229.9027       
170.7680 78.41122       86.89039 27.71853 10.56209 19.25156 7.484984 8.466970 
12.94537 
1 1 1 0   -4  35 o 26.38121 6.857602  224.2006       102.0859 126.2742       
223.2646 250.0860       114.7881 23.42280 10.60083 29.33962 8.702249 -5.916819 
13.71520 
1 1 1 0   -3  1  o 244.7757 4.309845  12807.52       422.4034 13334.04       
529.7390 11888.29       699.9490 251.8717 5.009607 237.6797 7.014478 14.19194 
8.619691 
1 1 1 0   -3  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -3  3  o 241.1517 5.082588  12270.87       513.1724 12823.39       
710.8311 11669.46       741.6182 246.8639 6.858513 235.4396 7.502774 11.42422 
10.16518 
1 1 1 0   -3  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -3  5  o 70.67688 1.962292  1013.710       51.77906 1126.206       
101.8885 974.5408       60.12130 73.22559 3.314237 68.12816 2.101952 5.097435 
3.924585 
1 1 1 0   -3  6  o 89.48818 2.097539  1623.936       65.48677 1786.622       
142.2423 1580.179       73.76984 92.22363 3.673733 86.75273 2.025428 5.470901 
4.195077 
1 1 1 0   -3  7  o 102.1017 1.973706  2135.798       82.33197 1974.002       
103.4339 2415.577       136.0152 96.95663 2.541010 107.2468 3.020816 -10.29018 
3.947412 
1 1 1 0   -3  8  o 103.9657 2.036602  2259.269       88.51060 2379.900       
132.7002 2162.592       118.7965 106.4526 2.969180 101.4789 2.788362 4.973671 
4.073204 
1 1 1 0   -3  9  o 265.3110 3.596484  14788.85       369.5894 14814.71       
667.0948 14777.40       443.9523 265.4093 5.986769 265.2127 3.987154 0.1965637 
7.192969 
1 1 1 0   -3  10 o 351.3142 5.520354  25988.65       814.0887 26188.09       
1163.505 25797.37       1139.462 352.6269 7.859120 350.0016 7.754448 2.625244 
11.04071 
1 1 1 0   -3  11 o 132.3644 2.140617  3622.140       111.9178 3847.808       
197.4481 3515.314       135.8488 135.3439 3.474844 129.3848 2.500884 5.959122 
4.281233 
1 1 1 0   -3  12 o 108.7030 2.040081  2480.792       93.08745 2434.163       
130.1810 2529.580       133.1606 107.6583 2.880191 109.7478 2.890021 -2.089592 
4.080162 
1 1 1 0   -3  13 o 188.0612 3.085617  7430.492       243.2004 7394.312       
333.8428 7471.405       355.0065 187.5797 4.239135 188.5427 4.484848 
-0.9629669     6.171233 
1 1 1 0   -3  14 o 121.8408 1.982244  3145.645       98.33857 3000.375       
157.9099 3237.674       125.6852 119.5142 3.147101 124.1674 2.411001 -4.653214 
3.964489 
1 1 1 0   -3  15 o 236.3206 3.282795  11586.30       301.2158 11340.24       
360.7607 12152.71       547.3353 232.3045 3.698985 240.3367 5.424434 -8.032181 
6.565590 
1 1 1 0   -3  16 o 256.8830 3.901543  13907.21       419.9804 13594.19       
608.9600 14191.14       579.9829 254.0979 5.708325 259.6681 5.320074 -5.570145 
7.803087 
1 1 1 0   -3  17 o 146.5490 3.393127  4491.465       207.1942 4301.178       
274.2363 4744.561       316.2729 142.9731 4.568689 150.1248 5.017999 -7.151733 
6.786253 
1 1 1 0   -3  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -3  20 o 220.5631 3.942551  10287.14       364.9840 10449.56       
513.1174 10120.82       519.2683 222.3475 5.496744 218.7787 5.653375 3.568771 
7.885102 
1 1 1 0   -3  21 o 119.0184 2.600840  2983.377       129.9305 2941.059       
181.4460 3027.913       186.1428 118.1548 3.657778 119.8819 3.698396 -1.727180 
5.201680 
1 1 1 0   -3  22 f 57.26306 2.673324  690.6512       63.91190 687.7059       
85.88772 694.3058       95.67200 57.13774 3.580380 57.38839 3.970835 
-0.2506523     5.346649 
1 1 1 0   -3  23 o 189.1819 3.353045  7666.262       235.0327 7791.912       
275.4003 7329.403       450.9279 192.3559 3.410201 186.0079 5.774267 6.347977 
6.706089 
1 1 1 0   -3  24 o 43.27047 4.706944  408.9030       71.78315 396.3840       
141.8141 413.2155       83.23367 42.31353 8.278148 44.22741 4.482586 -1.913883 
9.413889 
1 1 1 0   -3  25 o 104.6664 2.904436  2264.058       121.0492 2477.369       
211.2999 2159.852       147.6857 108.1510 4.653611 101.1818 3.476620 6.969177 
5.808871 
1 1 1 0   -3  26 o 65.86026 3.741112  991.5121       87.65653 792.9600       
169.5057 1063.993       102.4136 60.74960 6.646026 70.97092 3.437150 -10.22132 
7.482223 
1 1 1 0   -3  27 o 107.9250 3.480657  2517.683       141.1236 2406.483       
264.4071 2561.980       166.8816 105.8460 5.950037 110.0041 3.613440 -4.158066 
6.961314 
1 1 1 0   -3  28 o 46.97102 4.057811  464.3716       73.01850 504.6714       
136.5527 448.2343       86.40993 48.11887 6.759363 45.82317 4.491585 2.295704 
8.115623 
1 1 1 0   -3  29 o 48.33947 4.680731  548.4827       76.31480 464.2335       
152.8171 576.4740       88.08475 44.73372 8.445311 51.94522 4.039021 -7.211510 
9.361462 
1 1 1 0   -3  30 o 69.87379 3.836993  1160.367       97.44300 855.9536       
176.5064 1293.817       116.8660 61.92200 6.789479 77.82558 3.576736 -15.90358 
7.673986 
1 1 1 0   -3  31 o 55.54173 3.822441  647.7686       83.53521 773.8524       
151.5083 592.6989       100.1298 58.86481 6.130583 52.21864 4.567293 6.646175 
7.644881 
1 1 1 0   -3  32 o 53.28851 4.674330  727.7938       83.49177 496.2164       
154.9859 822.4753       99.10071 44.90466 8.529256 61.67236 3.827430 -16.76769 
9.348660 
1 1 1 0   -3  33 o 54.60487 4.390983  653.4011       83.72175 746.0106       
180.1874 627.9031       94.54731 55.67364 7.708960 53.53611 4.206525 2.137531 
8.781965 
1 1 1 0   -3  34 o 28.25549 6.180744  229.0290       82.26853 123.0704       
173.7009 259.6709       93.40965 24.16407 10.13804 32.34691 7.072939 -8.182840 
12.36149 
1 1 1 0   -3  35 o 17.89866 5.674731  13.37522       76.89069 67.82133       
153.1277 -4.981129      88.91261 20.70940 9.112529 15.08792 6.765508 5.621488 
11.34946 
1 1 1 0   -2  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -2  2  o 254.5045 5.550450  13653.67       591.9474 13897.85       
816.8193 13383.59       859.0569 256.9310 7.572347 252.0779 8.117237 4.853104 
11.10090 
1 1 1 0   -2  3  o 331.0987 6.922358  22986.26       927.4012 22614.80       
1161.051 23640.98       1541.432 327.6317 8.440852 334.5656 10.97398 -6.933960 
13.84472 
1 1 1 0   -2  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -2  5  o 265.3728 3.115031  14785.66       345.8785 14939.43       
511.8342 14656.42       469.2302 266.6315 4.572344 264.1140 4.231706 2.517487 
6.230062 
1 1 1 0   -2  6  o 328.4952 4.328715  22685.05       567.0133 22662.52       
699.7287 22728.13       967.6496 328.3557 5.075820 328.6346 7.013355 
-0.2789612     8.657431 
1 1 1 0   -2  7  o 301.5430 3.662228  19035.87       372.9274 19244.72       
829.8372 18983.02       417.4568 302.4529 6.535159 300.6331 3.307470 1.819885 
7.324457 
1 1 1 0   -2  8  o 439.2015 6.458008  40631.35       1175.851 40885.93       
1814.661 40447.11       1543.792 440.2404 9.818084 438.1625 8.392180 2.077972 
12.91602 
1 1 1 0   -2  9  o 416.6555 4.747105  36336.64       796.1465 35867.01       
990.5417 37193.71       1338.131 413.0060 5.712648 420.3049 7.583249 -7.298889 
9.494209 
1 1 1 0   -2  10 o 318.3073 3.668379  21161.59       373.3053 21511.26       
893.3578 21087.61       410.8993 319.7451 6.654917 316.8695 3.088702 2.875549 
7.336757 
1 1 1 0   -2  11 o 691.9487 8.628366  101205.6       2490.182 100401.8       
3330.534 102224.7       3749.957 689.1382 11.51141 694.7593 12.85621 -5.621094 
17.25673 
1 1 1 0   -2  12 o 406.1273 5.010144  34803.30       845.7038 34113.53       
1283.600 35332.39       1124.200 402.4785 7.596408 409.7761 6.534583 -7.297668 
10.02029 
1 1 1 0   -2  13 o 147.3943 2.071922  4562.367       128.1567 4576.192       
184.1247 4549.375       178.4886 147.6098 2.971105 147.1787 2.888594 0.4310760 
4.143844 
1 1 1 0   -2  14 o 415.2161 6.213701  36365.78       1082.814 36306.50       
1511.062 36428.34       1552.436 414.8940 8.674933 415.5382 8.898643 
-0.6442566     12.42740 
1 1 1 0   -2  15 o 269.9627 4.237495  15334.74       480.2281 15553.19       
685.0941 15123.71       673.3485 271.8514 6.002604 268.0740 5.982825 3.777405 
8.474990 
1 1 1 0   -2  16 o 201.9889 3.191779  8558.411       269.2178 8387.696       
360.8459 8772.733       404.3142 199.7382 4.303103 204.2396 4.715201 -4.501389 
6.383558 
1 1 1 0   -2  17 o 164.5627 2.758357  5633.787       186.7316 5409.906       
239.0093 5984.531       299.1588 160.4325 3.548489 168.6929 4.224021 -8.260376 
5.516714 
1 1 1 0   -2  18 o 72.50226 2.208518  1110.154       66.76603 1051.863       
98.84304 1159.069       90.54462 70.73736 3.328269 74.26717 2.903935 -3.529808 
4.417036 
1 1 1 0   -2  19 o 164.8952 8.249242  5770.661       571.0851 0.000000       
0.000000 5770.661       571.0851 ?        ?        164.8952 8.249242 ? ? 
1 1 1 0   -2  20 o 172.1199 4.688136  6246.888       338.7741 6246.888       
338.7741 0.000000       0.000000 172.1199 4.688136 ?        ?        ? ? 
1 1 1 0   -2  21 o 174.4599 3.668505  6422.812       267.5166 6335.418       
360.6712 6529.690       398.8551 173.1928 4.960241 175.7271 5.406268 -2.534332 
7.337010 
1 1 1 0   -2  22 o 186.1404 3.435824  7319.246       267.7411 7303.393       
364.9872 7337.716       393.9564 185.9669 4.674800 186.3138 5.036446 
-0.3469849     6.871648 
1 1 1 0   -2  23 o 65.65884 2.457892  907.1119       67.68700 965.7773       
97.18323 851.8427       94.32835 67.72224 3.418071 63.59543 3.532949 4.126804 
4.915785 
1 1 1 0   -2  24 o 149.8899 2.560977  4739.371       155.9209 4713.310       
254.6792 4754.996       197.1976 149.4875 4.057978 150.2923 3.125257 
-0.8048706     5.121954 
1 1 1 0   -2  25 o 108.7140 2.488973  2447.634       112.1107 2763.548       
176.7254 2234.879       145.0290 114.4570 3.677710 102.9710 3.354757 11.48608 
4.977946 
1 1 1 0   -2  26 o 170.3466 2.832609  6101.380       190.9580 6029.246       
233.2485 6248.000       332.5421 169.0405 3.286618 171.6528 4.614416 -2.612350 
5.665218 
1 1 1 0   -2  27 o 130.3514 3.116749  3507.058       146.3955 3807.207       
302.0484 3414.902       167.3676 133.5275 5.387989 127.1752 3.134657 6.352310 
6.233498 
1 1 1 0   -2  28 o 74.57137 3.228984  1163.554       96.35176 1257.464       
165.9106 1115.763       118.3558 76.64330 5.156097 72.49945 3.888444 4.143845 
6.457967 
1 1 1 0   -2  29 o 68.13986 3.537979  979.7845       91.17434 1041.292       
173.3768 956.2729       107.1930 69.25298 5.963119 67.02674 3.809249 2.226242 
7.075957 
1 1 1 0   -2  30 o 31.46859 5.812116  245.5411       75.50071 162.6236       
150.3572 273.4977       87.30575 27.58973 10.02557 35.34745 5.883095 -7.757719 
11.62423 
1 1 1 0   -2  31 o 50.99550 4.544766  626.4058       85.19373 468.4949       
143.6536 712.0748       105.8089 44.59949 7.958381 57.39150 4.391327 -12.79200 
9.089532 
1 1 1 0   -2  32 o 58.97913 4.145354  833.9761       87.36425 655.4456       
164.7206 903.8535       103.0529 53.21302 7.373116 64.74523 3.791173 -11.53221 
8.290708 
1 1 1 0   -2  33 o 19.54183 5.999116  29.80832       81.98552 10.85583       
166.1575 35.90750       94.25890 21.09832 9.363359 17.98534 7.502339 3.112978 
11.99823 
1 1 1 0   -2  34 o 42.56078 5.522949  446.4685       84.75845 448.4932       
163.2883 445.7217       99.16396 40.71816 9.680721 44.40340 5.319352 -3.685238 
11.04590 
1 1 1 0   -2  35 o 50.58344 4.724997  588.1072       88.12386 698.2068       
175.9716 551.2535       101.8100 51.99677 8.060967 49.17010 4.931855 2.826675 
9.449994 
1 1 1 0   -2  36 o 26.98727 7.206576  159.7306       107.9718 456.3746       
205.0428 45.91491       127.0070 35.10391 11.78255 18.87063 8.301241 16.23328 
14.41315 
1 1 1 0   -1  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -1  2  o 248.5453 3.358521  12957.44       349.9450 12018.15       
484.2600 13984.04       506.2673 239.1318 4.823500 257.9589 4.674664 -18.82703 
6.717041 
1 1 1 0   -1  3  o 146.5444 2.465799  4504.834       151.5488 4387.279       
208.6552 4636.090       220.4780 144.5249 3.438806 148.5639 3.534865 -4.039093 
4.931598 
1 1 1 0   -1  4  o 325.1802 3.964001  22226.73       467.9346 22244.43       
937.9775 22220.87       539.9205 325.1359 6.871454 325.2245 3.954282 
-0.8862305E-01 7.928002 
1 1 1 0   -1  5  o 321.3619 4.888330  21742.93       657.2170 21594.24       
969.1603 21869.51       894.2439 320.3104 7.206852 322.4134 6.606386 -2.102966 
9.776659 
1 1 1 0   -1  6  o 55.81992 1.477445  654.2271       34.62339 653.1422       
49.10790 655.2994       48.82307 55.77386 2.097209 55.86599 2.081607 
-0.9212494E-01 2.954890 
1 1 1 0   -1  7  o 262.8992 3.981036  14535.32       439.1087 14623.96       
610.9314 14440.59       631.5698 263.7369 5.517503 262.0615 5.740362 1.675415 
7.962072 
1 1 1 0   -1  8  o 249.5027 2.984338  13109.16       264.3465 13024.26       
546.5275 13135.09       302.0265 248.9134 5.229798 250.0921 2.876511 -1.178787 
5.968677 
1 1 1 0   -1  9  o 274.3087 3.994034  15856.96       455.8020 16098.42       
607.7172 15546.47       689.1354 276.7332 5.230718 271.8842 6.037286 4.849030 
7.988068 
1 1 1 0   -1  10 o 401.1448 4.818163  34018.02       760.0113 34314.89       
927.1185 33409.82       1327.038 403.9979 5.466096 398.2917 7.936029 5.706207 
9.636326 
1 1 1 0   -1  11 o 133.3518 2.010375  3678.709       108.0087 3929.540       
182.9241 3544.453       133.8283 136.7822 3.185389 129.9214 2.453513 6.860748 
4.020750 
1 1 1 0   -1  12 o 244.8407 3.065287  12684.72       307.4265 12182.17       
486.7023 13018.34       396.5503 240.7483 4.815277 248.9331 3.794344 -8.184830 
6.130574 
1 1 1 0   -1  13 o 260.4148 2.853233  14258.86       311.7103 13912.23       
446.0500 14589.72       435.7793 257.3137 4.128970 263.5159 3.938953 -6.202271 
5.706466 
1 1 1 0   -1  14 o 375.8671 3.561134  29681.14       561.5744 30246.04       
812.0696 29163.39       777.4344 379.2848 5.099750 372.4494 4.971845 6.835388 
7.122267 
1 1 1 0   -1  15 o 222.3698 2.973192  10343.51       274.6610 10069.87       
360.9505 10719.88       423.3209 218.9093 3.927393 225.8302 4.464870 -6.920822 
5.946384 
1 1 1 0   -1  16 o 269.9379 4.189172  15339.22       474.6862 15479.30       
667.5568 15195.95       675.1224 271.1921 5.863167 268.6837 5.984975 2.508423 
8.378345 
1 1 1 0   -1  17 o 290.2116 3.809016  17494.00       427.6435 17138.73       
510.8288 18326.24       781.8494 285.4966 4.261825 294.9267 6.314371 -9.430145 
7.618033 
1 1 1 0   -1  18 o 59.39782 2.508746  749.1501       60.06651 769.6017       
75.64806 714.2560       98.81244 60.51855 2.977353 58.27709 4.038637 2.241463 
5.017491 
1 1 1 0   -1  19 o 194.0525 3.187541  7925.691       259.6465 7798.665       
363.1998 8058.464       371.3263 192.4643 4.494863 195.6406 4.520827 -3.176239 
6.375082 
1 1 1 0   -1  20 o 82.13963 2.380858  1417.965       81.30521 1410.076       
107.5906 1428.469       124.1435 81.88515 3.129611 82.39410 3.588798 
-0.5089569     4.761716 
1 1 1 0   -1  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   -1  22 o 90.47365 2.431251  1688.878       89.36359 1593.685       
111.6008 1858.988       149.1859 87.02268 3.054612 93.92461 3.783288 -6.901932 
4.862502 
1 1 1 0   -1  23 o 177.5864 2.864613  6639.740       213.3208 6460.592       
293.1773 6841.295       310.9706 175.0565 3.989084 180.1162 4.112327 -5.059708 
5.729225 
1 1 1 0   -1  24 o 40.25546 3.350859  342.0428       56.05019 410.9620       
81.37264 279.8228       77.31668 44.12891 4.392142 36.38202 5.061830 7.746891 
6.701718 
1 1 1 0   -1  25 o 105.3011 2.466600  2338.163       108.6564 2353.927       
147.8290 2319.639       160.2478 105.7055 3.331067 104.8967 3.638744 0.8087692 
4.933200 
1 1 1 0   -1  26 o 56.13332 2.856637  669.0159       67.01340 717.7922       
92.91925 616.1475       96.73864 58.29762 3.796435 53.96902 4.269495 4.328594 
5.713274 
1 1 1 0   -1  27 o 154.8519 2.871394  5061.810       183.9025 4982.035       
239.4331 5176.578       287.1861 153.4810 3.715787 156.2228 4.378647 -2.741882 
5.742788 
1 1 1 0   -1  28 o 118.9267 2.348427  2990.748       117.2318 3075.071       
166.5802 2908.005       165.0125 120.5956 3.290130 117.2579 3.351937 3.337708 
4.696855 
1 1 1 0   -1  29 o 15.75312 4.776653  -4.048316      57.39610 -31.81933      
80.81504 24.21651       81.53037 14.40119 6.454011 17.10505 7.043535 -2.703859 
9.553306 
1 1 1 0   -1  30 o 54.43774 4.014868  609.6750       79.51083 716.9245       
164.0953 576.7695       90.89355 56.96021 6.861917 51.91528 4.170220 5.044937 
8.029736 
1 1 1 0   -1  31 o 116.5626 3.381883  2906.194       134.7329 3009.630       
294.7448 2878.871       151.4863 116.8029 6.010541 116.3224 3.101923 0.4805603 
6.763766 
1 1 1 0   -1  32 o 43.30368 5.040444  420.3129       77.81971 461.5070       
154.5540 406.3222       90.07030 43.52966 8.764791 43.07771 4.980237 0.4519424 
10.08089 
1 1 1 0   -1  33 o 34.17365 5.958817  330.0043       84.95795 164.5321       
171.4483 383.8607       97.81133 26.93986 10.50588 41.40744 5.626416 -14.46758 
11.91763 
1 1 1 0   -1  34 o 51.75788 4.707143  633.2076       89.26376 601.8896       
170.5088 645.0313       104.7676 49.51622 8.202012 53.99954 4.621233 -4.483315 
9.414287 
1 1 1 0   -1  35 o 36.03493 6.551161  373.2183       105.8783 234.5531       
158.5856 484.7364       142.2173 28.58275 10.30510 43.48711 8.091705 -14.90436 
13.10232 
1 1 1 0   -1  36 o 25.86568 6.985025  203.4903       120.0323 27.50974       
201.6803 300.0172       149.3671 20.96735 9.696920 30.76401 10.05644 -9.796663 
13.97005 
1 1 1 0   0   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   0   2  o 220.4193 3.385109  10206.70       311.5621 10172.75       
419.0372 10248.67       465.9117 220.0226 4.536347 220.8159 5.025675 
-0.7932281     6.770218 
1 1 1 0   0   3  o 214.2720 2.524861  9711.551       213.6624 9443.605       
369.0462 9846.647       262.0477 212.0091 4.146171 216.5349 2.882527 -4.525787 
5.049723 
1 1 1 0   0   4  o 210.7363 2.944950  9342.619       255.3047 9391.290       
330.0865 9270.154       402.7780 211.4391 3.718463 210.0335 4.567708 1.405655 
5.889900 
1 1 1 0   0   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   0   6  o 662.5126 7.834696  92425.71       2179.191 92425.71       
2179.191 0.000000       0.000000 662.5126 7.834696 ?        ?        ? ? 
1 1 1 0   0   7  o 120.9131 2.106146  3028.699       104.3753 3257.438       
169.4547 2888.866       132.4919 124.5367 3.240988 117.2895 2.690614 7.247192 
4.212292 
1 1 1 0   0   8  f 18.23614 3.014439  72.99908       22.67134 67.95382       
33.15562 77.42961       31.07014 17.64099 4.469356 18.83128 4.046260 -1.190289 
6.028877 
1 1 1 0   0   9  o 297.5326 4.604043  18621.97       574.9425 18687.22       
823.8189 18560.01       802.7725 298.0334 6.583971 297.0317 6.437403 1.001648 
9.208085 
1 1 1 0   0   10 f 168.0890 1.826411  5935.821       128.7961 5849.447       
184.9036 6017.227       179.5065 166.8993 2.638832 169.2786 2.525802 -2.379227 
3.652822 
1 1 1 0   0   11 o 287.6152 4.405355  17298.54       525.5016 16775.92       
686.8491 18036.35       816.0940 282.4464 5.792237 292.7839 6.639174 -10.33749 
8.810711 
1 1 1 0   0   12 o 170.9745 2.092586  6044.994       148.7010 5509.922       
194.2370 6802.645       231.1322 161.9768 2.856277 179.9721 3.058979 -17.99522 
4.185173 
1 1 1 0   0   13 o 592.4847 8.374756  74130.01       2044.678 73559.19       
2644.962 74977.73       3223.268 590.0870 10.67639 594.8824 12.90584 -4.795410 
16.74951 
1 1 1 0   0   14 o 493.0992 6.097965  51242.36       1164.640 51323.98       
2101.316 51206.17       1399.211 492.9660 10.15303 493.2324 6.756980 
-0.2664185     12.19593 
1 1 1 0   0   15 o 285.0590 3.642099  16904.95       393.7568 16668.80       
464.3158 17509.66       743.0248 281.6528 3.926634 288.4651 6.135234 -6.812286 
7.284199 
1 1 1 0   0   16 o 198.1011 2.957569  8268.352       244.4836 8055.726       
363.8895 8443.305       330.0816 195.7590 4.427606 200.4433 3.922392 -4.684265 
5.915137 
1 1 1 0   0   17 o 63.57915 2.072747  849.1432       55.30798 819.1279       
77.83208 879.7602       78.60828 62.44363 2.968873 64.71466 2.893255 -2.271027 
4.145495 
1 1 1 0   0   18 o 196.4590 6.531148  8138.105       538.6919 8138.105       
538.6919 0.000000       0.000000 196.4590 6.531148 ?        ?        ? ? 
1 1 1 0   0   19 f 265.0789 3.088939  14772.33       327.6205 14738.04       
405.7342 14836.58       555.3823 264.7374 3.650459 265.4204 4.984008 
-0.6830750     6.177878 
1 1 1 0   0   20 o 41.33391 2.611455  358.4827       45.23629 375.4374       
66.45058 343.8395       61.75476 42.24086 3.747030 40.42696 3.638484 1.813904 
5.222911 
1 1 1 0   0   21 o 147.5839 2.101122  4475.867       127.0625 4134.103       
160.4617 5050.448       208.0576 140.2250 2.725631 154.9428 3.198404 -14.71779 
4.202244 
1 1 1 0   0   22 o 13.63451 6.024621  -21.29235      67.78632 0.000000       
0.000000 -21.29235      67.78632 ?        ?        13.63451 6.024621 ? ? 
1 1 1 0   0   23 o 142.0200 2.092535  4184.255       120.4215 4469.104       
201.1616 4025.167       150.3342 145.6936 3.288710 138.3463 2.588279 7.347305 
4.185069 
1 1 1 0   0   24 o 115.8705 2.628159  2829.046       127.8409 2790.248       
180.8771 2867.773       180.7118 115.0735 3.743942 116.6676 3.689414 -1.594032 
5.256318 
1 1 1 0   0   25 o 27.14913 5.096712  161.5470       59.49540 192.3712       
85.98832 133.2386       82.40445 29.47328 7.036400 24.82498 7.375295 4.648300 
10.19342 
1 1 1 0   0   26 o 51.93114 2.901919  569.1477       63.22865 553.6803       
87.52245 586.0322       91.44404 51.19650 4.071930 52.66579 4.135689 -1.469284 
5.803838 
1 1 1 0   0   27 o 96.83276 2.303041  1972.845       93.48923 2102.745       
136.5980 1858.380       128.2262 99.82207 3.259409 93.84345 3.254573 5.978615 
4.606081 
1 1 1 0   0   28 o 79.88195 2.444548  1349.708       81.95789 1384.761       
115.7012 1314.406       116.1118 80.93191 3.405172 78.83199 3.508286 2.099915 
4.889097 
1 1 1 0   0   29 o 30.32836 4.974257  206.0786       62.20881 246.1005       
91.85238 172.1647       84.55328 33.07697 6.845863 27.57975 7.218524 5.497217 
9.948514 
1 1 1 0   0   30 o 200.9339 3.826592  8724.383       321.8767 8733.230       
473.3697 8716.774       438.9782 200.8086 5.614862 201.0592 5.200438 
-0.2505798     7.653185 
1 1 1 0   0   31 o 44.92568 3.269077  438.5024       61.16446 388.6907       
88.33529 484.3786       84.77382 42.36405 4.966585 47.48732 4.252117 -5.123268 
6.538154 
1 1 1 0   0   32 o 17.85570 4.908574  40.56283       55.79289 -8.050728      
78.25359 90.82443       79.56898 14.93623 6.543527 20.77516 7.318377 -5.838931 
9.817147 
1 1 1 0   0   33 o 21.88120 6.199283  37.20007       71.50247 196.4233       
164.3226 0.1093738E-01  79.41495 28.47531 10.46771 15.28708 6.644660 13.18823 
12.39857 
1 1 1 0   0   34 o 42.18452 5.645181  461.6210       87.41698 365.5874       
158.6013 503.5257       104.7675 36.90543 9.991495 47.46361 5.257593 -10.55818 
11.29036 
1 1 1 0   0   35 o 59.39646 5.276775  887.1331       120.2072 615.4225       
175.7418 1126.016       164.7840 48.58649 8.951118 70.20644 5.590609 -21.61995 
10.55355 
1 1 1 0   0   36 o 76.80186 5.029781  1509.277       152.7743 1289.062       
245.7364 1648.016       195.0503 69.68903 8.398973 83.91470 5.536428 -14.22568 
10.05956 
1 1 1 0   1   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   1   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   1   2  o 172.0035 2.315168  6206.077       167.0531 6026.214       
230.6987 6404.354       242.2195 169.3876 3.244029 174.6194 3.303982 -5.231888 
4.630337 
1 1 1 0   1   3  o 44.41380 1.289788  410.6456       23.94793 458.6334       
35.83965 371.9366       32.18874 46.73815 1.826473 42.08946 1.821594 4.648689 
2.579576 
1 1 1 0   1   4  o 323.4814 3.318945  22026.93       441.7330 22176.30       
571.5421 21805.34       696.1323 324.8824 4.190281 322.0804 5.148120 2.802002 
6.637891 
1 1 1 0   1   5  o 397.3226 4.367225  33210.27       728.3342 32567.53       
1033.398 33844.66       1026.675 393.4920 6.255369 401.1532 6.095981 -7.661224 
8.734450 
1 1 1 0   1   6  o 351.7729 5.000116  26029.78       738.2329 26544.26       
1059.885 25544.98       1028.845 355.1427 7.108482 348.4031 7.033784 6.739594 
10.00023 
1 1 1 0   1   7  o 259.7891 2.975528  14206.34       312.6235 14278.37       
393.0753 14082.36       515.7271 260.7187 3.591077 258.8596 4.745443 1.859070 
5.951056 
1 1 1 0   1   8  o 39.03900 1.828970  319.1829       29.18392 427.0939       
43.17343 228.3867       39.60204 45.10032 2.280122 32.97769 2.860345 12.12263 
3.657940 
1 1 1 0   1   9  o 187.4820 2.893698  7382.147       225.9824 7406.302       
341.9104 7363.409       301.1338 187.7443 4.337770 187.2197 3.831148 0.5245972 
5.787395 
1 1 1 0   1   10 o 95.65258 1.835978  1923.572       73.50038 1890.614       
107.7877 1952.217       100.4864 94.88442 2.705797 96.42074 2.482322 -1.536316 
3.671956 
1 1 1 0   1   11 o 308.1320 4.245319  19937.51       546.2002 20256.31       
819.1636 19682.32       732.9024 310.3182 6.287593 305.9457 5.705883 4.372528 
8.490638 
1 1 1 0   1   12 o 242.7679 3.657459  12363.31       371.1414 12123.28       
499.7657 12658.47       554.1896 240.1602 4.956628 245.3755 5.379579 -5.215240 
7.314919 
1 1 1 0   1   13 o 210.2662 3.269588  9281.704       287.7345 9168.484       
390.7032 9415.887       425.3354 208.8754 4.455338 211.6570 4.786520 -2.781601 
6.539175 
1 1 1 0   1   14 o 183.8887 2.593788  7086.801       197.3013 7005.885       
257.1574 7202.595       307.6292 182.6274 3.353931 185.1500 3.957537 -2.522552 
5.187577 
1 1 1 0   1   15 o 311.8962 3.626170  20366.45       420.6737 20642.83       
814.9406 20266.05       491.1732 313.2156 6.197315 310.5768 3.766923 2.638824 
7.252339 
1 1 1 0   1   16 f 119.3258 1.990191  2999.648       98.48938 2930.330       
150.6307 3051.413       130.1690 118.1126 3.037653 120.5390 2.572179 -2.426353 
3.980382 
1 1 1 0   1   17 o 111.1642 1.916285  2599.532       88.97280 2636.542       
120.3529 2554.932       132.1221 112.0415 2.558578 110.2868 2.853467 1.754707 
3.832570 
1 1 1 0   1   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   1   19 o 210.0591 3.295122  9279.197       290.4412 9063.074       
402.7563 9513.364       419.2307 207.5172 4.622846 212.6010 4.696873 -5.083817 
6.590244 
1 1 1 0   1   20 o 84.16548 1.936962  1485.590       68.36897 1418.853       
94.07824 1560.284       99.52845 82.16696 2.727175 86.16400 2.751328 -3.997040 
3.873924 
1 1 1 0   1   21 o 183.8758 2.791895  7109.328       212.7219 7178.109       
329.1283 7059.983       278.7721 184.5949 4.246845 183.1567 3.625331 1.438278 
5.583791 
1 1 1 0   1   22 o 78.18443 2.071464  1286.915       67.93533 1249.952       
97.18542 1322.236       95.00193 77.08153 3.003114 79.28732 2.853972 -2.205795 
4.142928 
1 1 1 0   1   23 o 65.92755 2.487786  912.3015       68.73859 856.0206       
94.01540 976.9425       100.7564 63.75089 3.512642 68.10421 3.523870 -4.353325 
4.975572 
1 1 1 0   1   24 o 58.98838 3.483502  732.8239       86.27036 732.8239       
86.27036 0.000000       0.000000 58.98838 3.483502 ?        ?        ? ? 
1 1 1 0   1   25 o 57.34867 2.702613  693.9209       65.00476 670.7271       
92.96352 716.1119       90.93138 56.40357 3.925789 58.29377 3.715461 -1.890202 
5.405226 
1 1 1 0   1   26 o 136.3292 2.732501  3921.387       156.3935 3927.506       
221.9825 3915.357       220.3739 136.4328 3.875439 136.2256 3.853209 0.2071838 
5.465002 
1 1 1 0   1   27 o 96.69804 2.459767  1976.134       99.72774 2059.416       
139.6739 1889.521       142.4395 98.79565 3.367428 94.60043 3.586396 4.195229 
4.919533 
1 1 1 0   1   28 o 105.5962 2.205884  2350.968       97.69234 2298.739       
134.5717 2409.161       142.0468 104.3666 3.071238 106.8258 3.167207 -2.459244 
4.411769 
1 1 1 0   1   29 o 97.68660 2.540707  2019.992       104.1612 1957.890       
145.0403 2086.132       149.6817 96.13722 3.593505 99.23597 3.592698 -3.098747 
5.081413 
1 1 1 0   1   30 o 62.84989 2.729599  840.6579       71.99302 810.1605       
101.6017 871.4108       102.0266 61.69105 3.922835 64.00874 3.796603 -2.317684 
5.459197 
1 1 1 0   1   31 o 69.70264 2.588218  1039.806       75.44234 974.2453       
109.2415 1099.584       104.3123 67.53579 3.852783 71.86950 3.457101 -4.333710 
5.176435 
1 1 1 0   1   32 o 21.38286 5.337678  95.62245       59.87391 92.24459       
83.62141 99.17599       85.76839 21.10740 7.495631 21.65831 7.601234 
-0.5509109     10.67536 
1 1 1 0   1   33 o 19.97450 5.292414  73.06683       60.47351 105.1984       
90.09775 46.72340       81.58015 22.00822 7.784005 17.94077 7.172716 4.067446 
10.58483 
1 1 1 0   1   34 f 55.68707 3.068553  677.2377       71.62459 626.4617       
99.85482 731.0469       102.7941 53.48358 4.447025 57.89055 4.229425 -4.406975 
6.137106 
1 1 1 0   1   35 f 80.40648 4.515083  1516.834       149.8261 1386.998       
226.2121 1618.301       199.9772 76.46380 7.046622 84.34917 5.647038 -7.885368 
9.030167 
1 1 1 0   1   36 f 35.97795 7.518887  404.4319       123.7679 342.8791       
204.9951 439.7403       155.2598 32.24024 11.70717 39.71566 9.438047 -7.475418 
15.03777 
1 1 1 0   1   37 o 22.77453 6.676571  133.6451       109.3942 42.32516       
184.0608 183.5206       136.0260 20.69256 9.444463 24.85649 9.439732 -4.163931 
13.35314 
1 1 1 0   2   0  o 220.9621 2.932467  10281.31       271.2585 11122.66       
382.3077 9428.339       384.9409 230.0948 3.957557 211.8294 4.328416 18.26546 
5.864933 
1 1 1 0   2   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   2   2  o 309.2204 3.514928  20102.82       454.3382 20160.33       
615.0667 20033.75       674.0375 309.7257 4.730053 308.7151 5.200525 1.010529 
7.029856 
1 1 1 0   2   3  o 190.2064 2.224299  7317.147       161.8664 6946.688       
190.4963 8279.299       306.9998 181.8845 2.494664 198.5283 3.683298 -16.64381 
4.448599 
1 1 1 0   2   4  o 128.5692 1.566418  3470.684       84.51403 3475.135       
121.3898 3466.497       117.7357 128.6487 2.247489 128.4897 2.182534 0.1590424 
3.132837 
1 1 1 0   2   5  o 159.2430 2.439038  5324.673       163.0245 5252.734       
227.5445 5400.542       233.6808 158.1388 3.427275 160.3471 3.471226 -2.208282 
4.878076 
1 1 1 0   2   6  o 426.8004 4.080170  38222.77       706.7821 37991.33       
890.6848 38616.31       1161.448 425.1505 4.990022 428.4503 6.456843 -3.299896 
8.160339 
1 1 1 0   2   7  o 191.6718 2.733294  7696.576       218.5658 7901.539       
329.9525 7536.319       291.7570 193.9321 4.052498 189.4115 3.668901 4.520615 
5.466587 
1 1 1 0   2   8  o 29.77603 2.045440  186.4971       25.47124 166.4283       
35.80060 207.0696       36.24710 28.15059 3.029172 31.40147 2.749441 -3.250879 
4.090881 
1 1 1 0   2   9  o 441.1947 5.861611  40966.48       1077.779 41319.33       
1628.836 40691.66       1437.460 442.7924 8.761897 439.5970 7.788651 3.195404 
11.72322 
1 1 1 0   2   10 o 240.2436 2.743974  12113.01       271.1918 12186.11       
429.3209 12064.47       349.8201 240.8277 4.246163 239.6594 3.476733 1.168274 
5.487948 
1 1 1 0   2   11 o 154.1441 2.458365  4899.037       155.2938 4596.432       
196.5641 5401.587       253.3121 147.9356 3.164846 160.3527 3.762711 -12.41708 
4.916731 
1 1 1 0   2   12 o 266.4392 3.048432  14820.25       316.7361 15176.38       
567.7807 14659.36       381.6364 268.7004 5.033075 264.1781 3.440916 4.522308 
6.096864 
1 1 1 0   2   13 o 708.7794 7.027505  105422.5       1851.500 107322.9       
3592.028 104734.9       2160.641 712.2296 12.01270 705.3292 7.296454 6.900391 
14.05501 
1 1 1 0   2   14 o 444.8004 4.304794  41577.79       754.2988 41739.25       
1319.820 41499.47       919.2145 445.2797 7.059968 444.3212 4.927662 0.9584961 
8.609589 
1 1 1 0   2   15 o 209.7587 2.550819  9265.152       222.4614 9081.652       
337.2097 9406.559       296.0159 207.9033 3.863312 211.6141 3.331896 -3.710831 
5.101638 
1 1 1 0   2   16 o 181.4205 2.461802  6911.860       187.0825 6955.384       
274.3603 6874.036       255.7665 181.9495 3.591630 180.8916 3.367800 1.057831 
4.923605 
1 1 1 0   2   17 o 74.22105 2.077250  1157.159       64.71828 1156.441       
92.33047 1157.853       90.74117 74.19796 2.963973 74.24413 2.911142 
-0.4617310E-01 4.154501 
1 1 1 0   2   18 o 114.0277 2.732534  2631.452       119.2387 2979.829       
226.0751 2497.191       140.3470 119.0331 4.523830 109.0224 3.066256 10.01064 
5.465067 
1 1 1 0   2   19 o 111.4649 2.061853  2611.465       96.42718 2637.750       
134.3936 2583.577       138.4334 112.0452 2.856973 110.8845 2.973660 1.160782 
4.123705 
1 1 1 0   2   20 o 71.07108 2.071589  1059.653       61.68029 1033.537       
84.09943 1090.054       90.73639 70.12730 2.856452 72.01486 3.001100 -1.887566 
4.143178 
1 1 1 0   2   21 o 136.5694 2.297623  3923.909       131.6422 3740.041       
185.6944 4109.673       186.6497 133.3467 3.316939 139.7921 3.180284 -6.445358 
4.595246 
1 1 1 0   2   22 o 95.12955 1.981140  1903.000       79.11901 1872.904       
111.5751 1933.440       112.2100 94.37216 2.816076 95.88692 2.787360 -1.514763 
3.962280 
1 1 1 0   2   23 o 36.73680 3.199898  283.8950       49.25900 308.9001       
71.89688 261.7731       67.62473 38.25845 4.476141 35.21516 4.574007 3.043282 
6.399796 
1 1 1 0   2   24 o 32.93325 4.266040  226.6886       56.97377 304.7801       
88.79285 172.0363       74.28140 37.94410 5.573844 27.92241 6.459771 10.02169 
8.532080 
1 1 1 0   2   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   2   26 o 170.9530 2.701020  6139.284       189.1210 6057.126       
241.4367 6269.738       304.2365 169.5611 3.391550 172.3449 4.204690 -2.783798 
5.402039 
1 1 1 0   2   27 o 20.87217 4.997823  77.98864       56.17287 135.7190       
79.02293 19.02195       79.86462 24.87683 7.171868 16.86751 6.962562 8.009323 
9.995646 
1 1 1 0   2   28 o 28.01653 4.991827  178.1685       59.66235 219.2266       
81.55521 130.8960       87.50977 31.43167 6.402324 24.60139 7.660523 6.830286 
9.983655 
1 1 1 0   2   29 o 125.3784 2.296366  3339.610       119.7206 3460.947       
160.4152 3187.054       179.8711 128.0291 2.984404 122.7277 3.490921 5.301483 
4.592733 
1 1 1 0   2   30 o 48.54808 3.113256  502.1349       63.12730 574.1057       
91.25640 436.0908       87.41821 51.91698 4.186730 45.17917 4.608767 6.737816 
6.226511 
1 1 1 0   2   31 o 30.31133 4.840455  212.6960       60.44702 252.8319       
83.51548 168.5374       87.60075 33.54528 6.160198 27.07738 7.468063 6.467899 
9.680910 
1 1 1 0   2   32 o 30.05566 4.968332  210.7978       61.53361 195.6202       
90.57410 223.8076       83.85690 28.90978 7.424500 31.20153 6.604098 -2.291752 
9.936665 
1 1 1 0   2   33 o 58.01154 2.845676  725.1440       69.27129 754.3618       
99.78818 697.9686       96.23709 59.14032 4.018986 56.88274 4.029796 2.257580 
5.691353 
1 1 1 0   2   34 o 21.50484 5.310328  100.0599       59.47834 129.7784       
87.42218 74.44838       81.15697 23.50483 7.693566 19.50486 7.321703 3.999966 
10.62066 
1 1 1 0   2   35 o 51.49467 4.607987  611.9375       99.31637 552.3721       
135.6774 680.6986       145.7746 48.71998 6.633176 54.26937 6.398059 -5.549397 
9.215975 
1 1 1 0   2   36 o 21.23335 6.208835  80.71038       90.46319 61.92658       
125.6069 100.9538       130.3960 20.32338 8.578203 22.14332 8.978473 -1.819933 
12.41767 
1 1 1 0   2   37 o 32.59272 6.646938  349.9492       114.5162 130.8335       
187.3480 480.6491       144.6938 23.39068 10.18696 41.79475 8.541246 -18.40406 
13.29388 
1 1 1 0   3   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   3   1  o 193.3075 1.915840  7828.169       153.8293 7720.556       
202.6022 7974.654       236.3775 191.7475 2.516723 194.8674 2.889269 -3.119858 
3.831680 
1 1 1 0   3   2  o 250.9904 3.189781  13231.49       333.4707 13188.46       
444.2141 13287.04       504.7652 250.5392 4.223163 251.4416 4.781600 
-0.9024811     6.379561 
1 1 1 0   3   3  o 162.8144 1.652120  5563.938       112.6974 5599.935       
165.0155 5532.474       154.2817 163.3063 2.406816 162.3224 2.263898 0.9838867 
3.304240 
1 1 1 0   3   4  o 368.4721 3.374533  28527.32       520.8472 28630.80       
763.3768 28437.18       712.4369 369.0832 4.926469 367.8610 4.613002 1.222137 
6.749066 
1 1 1 0   3   5  o 102.6230 1.642614  2234.549       69.35711 2341.128       
90.80063 2085.265       107.4627 105.5946 2.048180 99.65137 2.568595 5.943237 
3.285228 
1 1 1 0   3   6  o 318.7664 2.986253  21259.88       393.4803 21851.65       
616.5900 20853.32       511.0748 322.4694 4.554379 315.0635 3.863736 7.405884 
5.972506 
1 1 1 0   3   7  o 127.5432 1.910173  3418.296       102.1782 3360.101       
147.1605 3472.468       141.9821 126.4931 2.771057 128.5932 2.629884 -2.100151 
3.820347 
1 1 1 0   3   8  o 66.06190 1.580289  880.2412       42.86500 1101.110       
70.13607 748.5507       54.15666 72.41555 2.306910 59.70826 2.160422 12.70729 
3.160578 
1 1 1 0   3   9  o 81.93523 1.618700  1402.749       55.25043 1462.896       
84.25051 1357.363       73.18465 83.46763 2.404227 80.40282 2.168052 3.064812 
3.237400 
1 1 1 0   3   10 o 309.9937 4.570982  20216.34       594.1232 20229.13       
819.7426 20202.19       862.3066 310.1140 6.296180 309.8733 6.628246 0.2406921 
9.141965 
1 1 1 0   3   11 o 147.8832 1.938454  4582.747       119.0062 4528.191       
156.5563 4657.417       183.1574 146.8470 2.539373 148.9194 2.929504 -2.072418 
3.876907 
1 1 1 0   3   12 o 389.2402 5.712536  31864.29       931.1265 32576.91       
1373.122 31257.66       1266.906 393.2228 8.317474 385.2577 7.832745 7.965057 
11.42507 
1 1 1 0   3   13 o 445.8560 3.968839  41188.14       624.2709 42933.66       
1317.619 40682.90       708.8836 451.6555 6.948701 440.0565 3.836962 11.59906 
7.937678 
1 1 1 0   3   14 o 56.15145 2.018602  659.4542       47.25237 776.6781       
69.15297 556.7864       64.71722 60.81440 2.708479 51.48851 2.993854 9.325890 
4.037205 
1 1 1 0   3   15 o 104.9050 1.778597  2286.683       76.37528 2417.989       
124.0345 2206.493       96.93094 107.3011 2.753336 102.5088 2.252281 4.792381 
3.557194 
1 1 1 0   3   16 o 243.2576 3.600004  12417.02       365.9583 12699.09       
547.1090 12188.63       492.3047 245.7352 5.303072 240.7799 4.870066 4.955292 
7.200008 
1 1 1 0   3   17 o 230.8756 7.198590  11231.89       697.7573 11231.89       
697.7573 0.000000       0.000000 230.8756 7.198590 ?        ?        ? ? 
1 1 1 0   3   18 o 110.1530 2.209447  2550.105       102.0937 2572.220       
141.8741 2526.354       147.0285 110.6506 3.054010 109.6554 3.193688 0.9951172 
4.418893 
1 1 1 0   3   19 o 25.30689 4.203001  139.9692       44.42867 178.2988       
63.91969 104.1427       61.79731 28.62151 5.516270 21.99228 6.342840 6.629223 
8.406001 
1 1 1 0   3   20 o 69.93442 2.084060  1026.581       61.15171 1068.950       
88.32942 987.5803       84.74503 71.31841 2.950019 68.55043 2.944592 2.767982 
4.168121 
1 1 1 0   3   21 o 96.07351 1.977412  1939.778       79.60219 1945.986       
116.3658 1934.318       109.1312 96.21406 2.880765 95.93296 2.709580 0.2810974 
3.954824 
1 1 1 0   3   22 o 200.3461 3.135018  8461.850       263.5746 8438.294       
378.1918 8484.098       367.5380 200.0618 4.502659 200.6304 4.363417 
-0.5685883     6.270036 
1 1 1 0   3   23 o 171.9807 2.917164  6164.886       208.1207 5805.375       
270.9483 6682.247       325.0329 165.9768 3.888302 177.9845 4.349771 -12.00761 
5.834329 
1 1 1 0   3   24 o 218.4012 3.318539  10070.56       303.9856 10008.64       
420.0913 10138.62       440.4307 217.7236 4.595779 219.0787 4.788489 -1.355057 
6.637079 
1 1 1 0   3   25 o 35.67302 4.079284  271.4742       59.66800 304.0918       
88.37356 244.1475       80.88890 37.90298 5.553543 33.44307 5.976654 4.459908 
8.158567 
1 1 1 0   3   26 o 124.6742 3.414704  3274.207       178.7346 0.000000       
0.000000 3274.207       178.7346 ?        ?        124.6742 3.414704 ? ? 
1 1 1 0   3   27 o 100.8500 2.525437  2140.289       106.7730 2053.606       
146.2580 2239.200       156.2348 98.67450 3.530497 103.0255 3.612053 -4.351028 
5.050875 
1 1 1 0   3   28 o 128.5963 2.506217  3474.822       133.1211 3394.492       
172.4823 3593.165       209.3524 126.8335 3.239154 130.3591 3.825230 -3.525604 
5.012435 
1 1 1 0   3   29 o 16.78108 4.954507  12.69381       58.94606 37.79130       
78.97891 -18.86742      88.56724 17.76681 7.072486 15.79536 6.940352 1.971446 
9.909014 
1 1 1 0   3   30 o 59.49708 2.799076  753.2969       69.78474 705.4593       
99.20028 800.1637       98.18856 57.59772 4.102312 61.39644 3.809244 -3.798721 
5.598152 
1 1 1 0   3   31 o 147.3113 2.723793  4574.881       162.2345 4448.519       
202.4596 4801.596       271.1870 144.7710 3.331024 149.8517 4.310507 -5.080643 
5.447586 
1 1 1 0   3   32 o 118.4158 2.525893  2997.178       125.3032 2879.802       
180.8878 3105.461       173.7394 116.1074 3.710824 120.7242 3.427875 -4.616829 
5.051786 
1 1 1 0   3   33 o 24.05402 5.131063  128.8520       59.10743 190.9283       
85.59071 72.25733       81.72432 28.48012 7.160256 19.62792 7.351325 8.852203 
10.26213 
1 1 1 0   3   34 o 19.73050 5.683334  45.64807       69.41782 22.25327       
83.59419 97.62019       124.5953 16.70892 7.022668 22.75209 8.937744 -6.043165 
11.36667 
1 1 1 0   3   35 o 95.75671 3.370268  2018.718       134.2961 1967.610       
177.6447 2086.884       205.1598 94.63675 4.471090 96.87666 5.044222 -2.239914 
6.740536 
1 1 1 0   3   36 o 18.19506 5.651960  -10.85749      86.29089 -87.17217      
117.2871 79.19571       127.4077 15.10017 7.105607 21.28994 8.791415 -6.189767 
11.30392 
1 1 1 0   3   37 o 16.68259 5.437492  -45.66670      89.06651 -105.5014      
120.4923 26.40920       132.2445 14.54587 6.964306 18.81931 8.352468 -4.273438 
10.87498 
1 1 1 0   4   0  o 245.1612 2.822963  12714.58       277.3724 12928.07       
345.8418 12329.65       464.3806 248.0965 3.320305 242.2259 4.566406 5.870560 
5.645926 
1 1 1 0   4   1  o 154.5245 1.599160  5017.072       100.3857 5000.217       
164.0523 5027.160       126.9220 154.3118 2.532236 154.7372 1.953724 
-0.4254150     3.198321 
1 1 1 0   4   2  o 336.1660 3.721191  23508.79       497.2085 24516.53       
862.5111 23007.23       608.4882 341.4328 6.017007 330.8992 4.380033 10.53357 
7.442383 
1 1 1 0   4   3  o 134.6183 1.583792  3704.214       85.72169 4149.031       
147.2320 3476.104       105.4348 140.5659 2.494843 128.6707 1.951756 11.89519 
3.167585 
1 1 1 0   4   4  o 377.4263 5.426690  29845.52       852.9832 31112.27       
1302.255 28893.67       1128.845 384.3463 8.070386 370.5063 7.257045 13.84003 
10.85338 
1 1 1 0   4   5  f 334.4647 3.838981  23493.33       537.8990 23878.74       
789.9020 23160.07       734.5217 337.0055 5.582868 331.9239 5.270928 5.081543 
7.677962 
1 1 1 0   4   6  o 488.6718 4.184005  50173.68       854.1407 49783.61       
1149.900 50653.80       1275.754 486.5961 5.628758 490.7474 6.191985 -4.151276 
8.368010 
1 1 1 0   4   7  o 64.90914 1.478084  879.0927       40.13729 951.7505       
59.91703 819.9472       54.05926 67.32671 2.119747 62.49158 2.060486 4.835129 
2.956168 
1 1 1 0   4   8  o 184.9901 2.009798  7186.272       156.0756 7162.870       
218.9953 7210.428       222.4947 184.6846 2.824394 185.2957 2.860061 
-0.6111145     4.019596 
1 1 1 0   4   9  o 162.3436 1.818988  5536.311       123.8217 5493.457       
179.3000 5575.382       171.2013 161.7413 2.640465 162.9458 2.502562 -1.204559 
3.637977 
1 1 1 0   4   10 o 254.4871 2.808483  13366.82       287.8046 14436.83       
489.1069 12800.11       355.9520 262.1143 4.444614 246.8598 3.434488 15.25447 
5.616966 
1 1 1 0   4   11 o 170.5786 2.104744  6106.454       149.9836 6067.842       
201.9805 6153.913       223.9317 169.9818 2.830272 171.1755 3.115983 -1.193787 
4.209487 
1 1 1 0   4   12 o 59.15259 1.714441  733.5586       42.50174 753.5451       
62.30531 716.1640       58.12524 59.90456 2.477343 58.40061 2.370655 1.503948 
3.428883 
1 1 1 0   4   13 f 425.1910 4.890652  38009.35       872.5783 39544.61       
1256.955 36581.28       1212.281 433.4713 6.906857 416.9107 6.925983 16.56061 
9.781304 
1 1 1 0   4   14 o 170.4756 2.549111  6080.382       180.6853 6277.839       
277.2982 5934.692       238.1921 172.8635 3.820894 168.0878 3.375299 4.775681 
5.098222 
1 1 1 0   4   15 o 213.4050 2.346680  9571.443       208.8958 9612.784       
280.2961 9519.793       313.2979 213.9317 3.120779 212.8784 3.505476 1.053314 
4.693359 
1 1 1 0   4   16 o 92.59482 2.044722  1801.368       79.44381 1779.658       
113.8572 1821.965       110.9021 92.05002 2.946169 93.13961 2.836132 -1.089592 
4.089445 
1 1 1 0   4   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   4   18 o 43.96160 2.853527  407.7826       52.45929 373.0948       
75.11897 440.8037       73.29203 42.12660 4.247313 45.79660 3.811927 -3.670006 
5.707053 
1 1 1 0   4   19 o 169.0580 2.556527  5987.204       179.5623 5871.104       
236.3669 6145.642       276.1216 167.1414 3.368400 170.9746 3.846714 -3.833130 
5.113054 
1 1 1 0   4   20 o 243.3199 2.763211  12441.51       277.2882 12395.16       
359.6093 12509.47       435.4839 242.8052 3.527720 243.8347 4.254002 -1.029510 
5.526422 
1 1 1 0   4   21 o 246.4591 2.634959  12798.70       271.6447 12537.56       
399.4269 13023.41       370.5262 244.0908 3.897687 248.8275 3.546841 -4.736649 
5.269919 
1 1 1 0   4   22 o 21.84941 4.619368  102.2721       46.29139 122.2002       
63.56256 79.76450       67.55116 23.61939 6.294231 20.07943 6.762905 3.539961 
9.238735 
1 1 1 0   4   23 o 16.98189 4.620859  34.77617       48.17097 2.007492       
68.22855 67.34485       68.02001 14.85433 6.298588 19.10945 6.762923 -4.255113 
9.241717 
1 1 1 0   4   24 o 77.84100 2.068304  1265.614       67.29514 1374.326       
101.1467 1179.273       90.14079 80.81470 2.981139 74.86730 2.867809 5.947395 
4.136607 
1 1 1 0   4   25 o 83.43892 2.134297  1467.395       74.59950 1357.280       
105.6460 1576.902       105.3539 80.30392 3.133555 86.57392 2.898575 -6.269997 
4.268595 
1 1 1 0   4   26 o 118.6270 2.169382  2958.213       107.3847 2928.376       
143.7899 2995.840       161.4733 117.9682 2.903252 119.2858 3.224283 -1.317581 
4.338764 
1 1 1 0   4   27 o 86.82155 2.506987  1572.088       90.80505 1746.832       
138.2356 1439.455       120.4327 91.01118 3.617814 82.63191 3.471505 8.379265 
5.013973 
1 1 1 0   4   28 o 211.4898 5.238271  9508.990       465.1107 9508.990       
465.1107 0.000000       0.000000 211.4898 5.238271 ?        ?        ? ? 
1 1 1 0   4   29 o 26.08264 5.173862  149.4202       59.47987 185.1675       
87.15649 118.2579       81.37524 28.71454 7.229227 23.45074 7.403625 5.263802 
10.34772 
1 1 1 0   4   30 o 93.74004 2.360949  1857.042       92.80492 1907.255       
135.2346 1812.345       127.5907 94.92381 3.393390 92.55627 3.283478 2.367538 
4.721899 
1 1 1 0   4   31 o 148.9989 2.335253  4691.258       144.9792 4578.125       
192.5100 4839.497       220.3643 147.0121 3.119043 150.9856 3.476376 -3.973541 
4.670506 
1 1 1 0   4   32 o 115.6113 2.510530  2847.908       121.8379 2916.065       
173.2243 2781.178       171.3998 116.9915 3.526756 114.2311 3.573940 2.760483 
5.021060 
1 1 1 0   4   33 o 61.83886 2.796328  823.3323       72.41565 880.6369       
101.7617 764.5407       103.0733 64.08401 3.782296 59.59372 4.119712 4.490288 
5.592655 
1 1 1 0   4   34 o 18.19883 5.600492  4.238549       80.68895 33.98106       
106.1577 -36.45387      124.1708 18.89851 7.927053 17.49916 7.913526 1.399347 
11.20098 
1 1 1 0   4   35 o 61.42670 4.053945  859.1767       103.0631 970.9958       
141.9893 734.6614       149.8334 66.12567 5.114539 56.72773 6.291213 9.397945 
8.107889 
1 1 1 0   4   36 o 28.00717 6.485791  200.8901       89.38699 147.1546       
121.3115 264.7200       132.2158 24.58498 8.998256 31.42935 9.343091 -6.844372 
12.97158 
1 1 1 0   4   37 o 65.25096 3.979375  984.6003       108.5354 944.4673       
145.7736 1034.523       162.5831 63.98583 5.426453 66.51610 5.821968 -2.530270 
7.958750 
1 1 1 0   4   38 o 27.20971 6.649907  224.8694       96.65366 297.7030       
135.4462 149.3002       137.9665 31.17726 9.494946 23.24215 9.312949 7.935112 
13.29981 
1 1 1 0   5   0  o 98.70551 1.610763  2029.955       66.36410 1908.252       
88.29639 2187.974       100.6108 95.33218 2.206096 102.0788 2.347632 -6.746635 
3.221527 
1 1 1 0   5   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   5   2  o 339.3176 2.375595  24123.04       333.7013 24538.49       
519.0045 23830.25       435.7004 341.7865 3.616907 336.8488 3.080875 4.937714 
4.751190 
1 1 1 0   5   3  o 513.5485 2.930383  55361.34       627.7293 54984.89       
839.9417 55837.61       944.7608 511.5973 3.910587 515.4997 4.365304 -3.902405 
5.860766 
1 1 1 0   5   4  o 194.2073 2.203850  7814.008       172.8635 7544.385       
214.9694 8307.383       290.7945 189.5426 2.701413 198.8720 3.482841 -9.329407 
4.407699 
1 1 1 0   5   5  o 597.7531 5.237114  73802.66       1102.613 72652.94       
1250.305 77824.95       2338.605 587.9205 5.065455 607.5858 9.167912 -19.66528 
10.47423 
1 1 1 0   5   6  o 463.1205 3.795717  44964.43       724.1789 44452.77       
935.2258 45730.63       1144.450 459.9023 4.843641 466.3387 5.845427 -6.436432 
7.591434 
1 1 1 0   5   7  o 90.62383 1.375851  1724.413       52.34407 1712.282       
74.25064 1736.398       73.80278 90.30685 1.958396 90.94080 1.933014 
-0.6339493     2.751701 
1 1 1 0   5   8  o 284.5054 4.002750  17007.89       477.4590 16811.34       
656.6040 17228.44       695.5343 282.7728 5.530787 286.2380 5.787784 -3.465179 
8.005501 
1 1 1 0   5   9  o 221.4204 2.527684  10298.13       234.9581 10318.30       
334.3658 10278.46       330.2345 221.6338 3.593412 221.2070 3.555860 0.4267883 
5.055368 
1 1 1 0   5   10 o 92.28793 1.817577  1784.741       70.25414 1737.736       
95.58158 1839.976       103.6123 90.96983 2.502637 93.60603 2.636505 -2.636200 
3.635155 
1 1 1 0   5   11 o 383.6934 5.419716  30967.90       871.4362 31483.56       
1276.222 30517.46       1192.797 386.6524 7.861883 380.7343 7.462178 5.918152 
10.83943 
1 1 1 0   5   12 o 149.9322 2.241659  4704.223       140.0407 4856.569       
212.9357 4588.106       185.9006 152.0592 3.335468 147.8051 2.995797 4.254135 
4.483319 
1 1 1 0   5   13 o 120.1362 1.981971  3029.722       99.92544 3072.551       
143.7387 2989.664       139.0116 120.9570 2.830504 119.3154 2.775081 1.641655 
3.963941 
1 1 1 0   5   14 o 437.3203 5.762972  40028.34       1034.820 41554.97       
1659.176 39056.41       1323.862 443.9432 8.901971 430.6973 7.321358 13.24591 
11.52594 
1 1 1 0   5   15 o 178.4211 2.524080  6671.182       188.6581 6923.323       
277.9778 6455.870       256.8758 181.5360 3.647274 175.3062 3.490173 6.229843 
5.048159 
1 1 1 0   5   16 o 113.8910 2.138572  2705.001       100.8369 2837.889       
157.8228 2613.330       131.0815 116.2331 3.234157 111.5489 2.798964 4.684227 
4.277145 
1 1 1 0   5   17 o 386.8105 8.645853  31649.13       976.7130 31861.84       
2598.913 31614.14       1053.975 386.1173 16.03222 387.5038 6.478516 -1.386505 
17.29171 
1 1 1 0   5   18 o 185.1737 2.504304  7164.849       179.6466 7310.313       
325.6477 7101.214       215.3856 186.4809 4.159440 183.8665 2.790199 2.614349 
5.008608 
1 1 1 0   5   19 o 166.3651 2.107610  5828.434       145.9411 5709.249       
220.1677 5921.847       194.9155 164.8344 3.181464 167.8958 2.765205 -3.061493 
4.215219 
1 1 1 0   5   20 o 36.60473 3.160570  283.8098       48.23166 260.8460       
70.61957 303.8865       66.03112 35.20142 4.778438 38.00805 4.138035 -2.806625 
6.321140 
1 1 1 0   5   21 o 128.5752 1.883062  3468.467       101.4248 3554.861       
149.1987 3394.241       138.2939 130.0576 2.732437 127.0928 2.591810 2.964806 
3.766124 
1 1 1 0   5   22 o 220.6273 2.667915  10276.24       245.0200 10005.72       
368.7991 10489.99       327.8291 217.9774 4.029948 223.2773 3.497228 -5.299942 
5.335830 
1 1 1 0   5   23 o 110.5607 2.104579  2570.167       97.54745 2594.391       
142.1220 2548.591       134.1305 111.0472 3.048419 110.0742 2.902440 0.9730530 
4.209159 
1 1 1 0   5   24 o 196.2662 2.888574  8123.732       237.9931 8200.932       
335.3034 8045.351       337.8573 197.2137 4.049692 195.3188 4.120124 1.894897 
5.777147 
1 1 1 0   5   25 o 122.1377 2.292454  3074.865       115.2773 2830.308       
146.9166 3466.623       185.9471 115.9738 3.017394 128.3017 3.452060 -12.32784 
4.584908 
1 1 1 0   5   26 o 266.6218 3.853831  15046.46       426.7647 15045.98       
563.9238 15047.11       652.8722 266.7780 5.034908 266.4657 5.835902 0.3122864 
7.707662 
1 1 1 0   5   27 o 60.57716 2.531064  772.9912       64.33189 811.9382       
92.30270 736.2009       89.71071 62.06246 3.542473 59.09185 3.616078 2.970608 
5.062127 
1 1 1 0   5   28 f 162.4388 2.809797  5575.979       191.5356 5535.792       
266.5023 5618.916       275.4645 161.8479 3.922066 163.0296 4.024577 -1.181702 
5.619593 
1 1 1 0   5   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   5   30 o 46.39273 3.593775  476.0952       67.09232 334.2718       
97.35778 604.3612       92.58758 39.44031 5.879649 53.34516 4.134079 -13.90485 
7.187551 
1 1 1 0   5   31 o 66.13614 2.633500  924.2574       72.84431 820.3029       
99.33030 1045.219       107.1482 62.11645 3.808871 70.15583 3.637828 -8.039383 
5.267000 
1 1 1 0   5   32 o 127.7939 2.102590  3461.838       112.6868 3479.174       
163.3832 3446.110       155.6259 128.0709 3.038632 127.5170 2.906932 0.5539551 
4.205180 
1 1 1 0   5   33 o 21.96474 5.185844  101.7772       58.38837 57.95576       
82.55125 145.6462       82.59600 18.84866 7.302414 25.08082 7.365235 -6.232157 
10.37169 
1 1 1 0   5   34 o 98.48299 3.442770  2119.952       142.2716 2028.331       
199.6176 2214.541       202.8256 96.26373 4.939207 100.7022 4.797386 -4.438515 
6.885541 
1 1 1 0   5   35 o 52.52560 4.128497  619.9828       90.62697 699.9705       
130.7634 546.0493       125.7172 55.94168 5.567648 49.10952 6.097478 6.832165 
8.256994 
1 1 1 0   5   36 o 30.24506 6.634744  239.8746       91.74112 224.4112       
119.0972 262.4394       143.8680 29.35694 8.896101 31.13318 9.845745 -1.776241 
13.26949 
1 1 1 0   5   37 o 71.93962 3.813713  1177.620       113.8470 1137.619       
149.1806 1233.406       176.1731 70.89347 5.012187 72.98576 5.749400 -2.092293 
7.627425 
1 1 1 0   5   38 o 27.35380 6.504811  208.2129       90.44006 130.4452       
117.6302 320.6476       141.4390 22.31725 8.702337 32.39035 9.670553 -10.07310 
13.00962 
1 1 1 0   6   0  o 84.75948 1.480495  1483.103       50.92826 1605.137       
84.98196 1414.714       63.61762 87.43237 2.315131 82.08659 1.845977 5.345787 
2.960990 
1 1 1 0   6   1  o 398.0452 3.887485  33397.41       647.4587 32040.99       
943.5237 34604.58       890.0999 390.3573 5.757204 405.7332 5.225396 -15.37595 
7.774971 
1 1 1 0   6   2  o 100.3229 1.482466  2104.266       61.19191 2157.558       
97.26597 2069.356       78.72279 101.3676 2.285509 99.27816 1.888721 2.089401 
2.964931 
1 1 1 0   6   3  o 278.3665 2.971580  16334.20       343.4734 15903.75       
522.3741 16662.04       455.8774 275.1054 4.522760 281.6276 3.855617 -6.522156 
5.943159 
1 1 1 0   6   4  o 146.4349 1.876436  4478.103       112.3900 4395.757       
142.9557 4611.373       181.8645 144.6875 2.353376 148.1822 2.923296 -3.494690 
3.752871 
1 1 1 0   6   5  o 687.6892 10.74817  99857.80       3103.171 99857.80       
3103.171 0.000000       0.000000 687.6892 10.74817 ?        ?        ? ? 
1 1 1 0   6   6  o 167.4035 2.127015  5732.109       141.8654 6364.451       
248.1791 5425.207       172.8980 174.0718 3.395923 160.7352 2.562124 13.33658 
4.254030 
1 1 1 0   6   7  o 72.92755 1.507645  1117.609       46.07940 1099.909       
66.88438 1133.600       63.57382 72.37693 2.201130 73.47818 2.060824 -1.101250 
3.015289 
1 1 1 0   6   8  o 110.7386 1.484133  2542.008       67.87833 2404.260       
87.41479 2751.201       107.7252 107.0100 1.945726 114.4671 2.241596 -7.457176 
2.968266 
1 1 1 0   6   9  o 189.1930 2.075323  7497.026       164.1358 7725.193       
245.2352 7311.875       220.9116 191.7904 3.045629 186.5955 2.819930 5.194839 
4.150646 
1 1 1 0   6   10 o 103.9135 1.871194  2231.527       80.38525 2075.884       
103.5459 2467.616       127.5283 99.42785 2.480538 108.3992 2.802214 -8.971390 
3.742388 
1 1 1 0   6   11 o 83.05360 1.744415  1448.589       60.80528 1400.961       
85.76225 1496.731       86.22292 81.68039 2.500918 84.42683 2.432559 -2.746437 
3.488830 
1 1 1 0   6   12 o 356.0080 4.990539  26649.30       742.8895 26960.27       
1104.227 26392.17       1004.104 357.8640 7.349564 354.1521 6.753208 3.711914 
9.981077 
1 1 1 0   6   13 o 282.8555 3.566857  16814.30       417.4856 16840.35       
647.8568 16795.80       545.9612 283.0101 5.452532 282.7010 4.599977 0.3091125 
7.133715 
1 1 1 0   6   14 o 398.8295 5.047073  33351.52       832.4884 32728.16       
1082.800 34252.62       1301.874 394.3814 6.539624 403.2776 7.689285 -8.896118 
10.09415 
1 1 1 0   6   15 o 228.0309 3.560401  10878.34       333.5071 11185.77       
532.9625 10680.49       427.5651 230.6327 5.504232 225.4291 4.517659 5.203644 
7.120802 
1 1 1 0   6   16 o 306.5938 9.067916  19834.65       1167.212 19834.65       
1167.212 0.000000       0.000000 306.5938 9.067916 ?        ?        ? ? 
1 1 1 0   6   17 o 226.1219 3.683098  10739.90       344.8554 10836.84       
534.8604 10670.93       451.1529 226.9594 5.613236 225.2843 4.769950 1.675095 
7.366197 
1 1 1 0   6   18 o 244.0342 2.789341  12543.00       277.6070 12406.82       
448.2923 12627.70       353.5537 242.9203 4.395603 245.1482 3.435167 -2.227844 
5.578682 
1 1 1 0   6   19 o 76.56059 2.227119  1238.704       71.04441 1069.087       
100.8742 1405.642       100.0745 71.32498 3.368679 81.79619 2.914146 -10.47121 
4.454239 
1 1 1 0   6   20 o 111.1836 2.007253  2585.423       91.38604 2651.398       
147.2774 2544.117       116.5334 112.3203 3.123195 110.0469 2.522283 2.273369 
4.014506 
1 1 1 0   6   21 o 46.70810 2.693656  455.5958       52.62706 504.5850       
78.45226 415.5146       70.96195 48.97405 3.815580 44.44215 3.803221 4.531895 
5.387312 
1 1 1 0   6   22 o 79.98324 1.971035  1337.514       65.99561 1216.776       
89.78398 1479.420       97.33662 76.07726 2.811027 83.88921 2.763702 -7.811951 
3.942071 
1 1 1 0   6   23 o 70.38769 2.117122  1043.427       62.46554 978.2185       
88.47830 1108.227       88.20157 68.18774 3.090662 72.58764 2.894241 -4.399902 
4.234244 
1 1 1 0   6   24 o 231.4668 3.363587  11224.96       317.1309 11685.14       
519.9143 10952.30       400.2024 235.0550 5.268456 227.8786 4.183089 7.176376 
6.727173 
1 1 1 0   6   25 o 118.9515 2.290154  2971.674       114.1989 2856.557       
156.3543 3103.305       167.1932 116.4923 3.196932 121.4106 3.280068 -4.918282 
4.580308 
1 1 1 0   6   26 o 38.98991 3.454572  322.8705       56.11497 368.2212       
79.30138 277.3889       79.41585 41.76455 4.522660 36.21526 5.223200 5.549294 
6.909144 
1 1 1 0   6   27 o 24.00051 4.982265  125.0746       53.60910 113.0266       
76.61855 136.6299       75.03564 23.05451 7.165805 24.94651 6.924094 -1.891998 
9.964529 
1 1 1 0   6   28 o 39.87268 3.427378  337.0741       57.35638 333.7903       
81.89523 340.2357       80.35505 39.67645 4.916396 40.06890 4.776687 
-0.3924484     6.854756 
1 1 1 0   6   29 o 196.1783 2.873289  8164.588       221.9628 8107.863       
387.3124 8192.328       270.8527 195.3694 4.722001 196.9872 3.275037 -1.617844 
5.746578 
1 1 1 0   6   30 f 64.28356 3.766156  875.5276       101.6429 0.000000       
0.000000 875.5276       101.6429 ?        ?        64.28356 3.766156 ? ? 
1 1 1 0   6   31 o 72.25908 2.727360  1096.136       81.90444 1202.454       
127.1054 1020.643       107.1061 75.17906 4.027061 69.33910 3.679232 5.839958 
5.454720 
1 1 1 0   6   32 o 69.01262 2.659244  1015.171       77.02119 1008.833       
110.2035 1021.222       107.6888 68.78670 3.816032 69.23854 3.704620 
-0.4518433     5.318488 
1 1 1 0   6   33 o 24.34883 4.785089  125.2102       62.60427 -13.32351      
92.34340 243.0386       85.16344 16.06869 7.073455 32.62898 6.446281 -16.56029 
9.570178 
1 1 1 0   6   34 f 85.66476 3.145200  1579.171       112.2971 1691.966       
171.4518 1494.428       148.6102 88.20818 4.629715 83.12134 4.258505 5.086845 
6.290400 
1 1 1 0   6   35 o 69.24267 3.461667  1055.140       100.3765 1059.083       
147.3074 1051.723       137.1446 69.24911 5.066771 69.23622 4.718093 
0.1289368E-01  6.923335 
1 1 1 0   6   36 o 25.93880 6.313045  166.8812       84.16743 133.8984       
120.4624 198.3413       117.6489 24.05472 8.941797 27.82289 8.914167 -3.768162 
12.62609 
1 1 1 0   6   37 o 17.17931 5.493355  -33.04442      87.13937 -102.2580      
123.3936 35.81153       123.0744 15.12231 7.180937 19.23630 8.315164 -4.113983 
10.98671 
1 1 1 0   6   38 o 31.94975 6.678636  299.1732       94.34257 282.6389       
121.0939 324.7081       150.4864 31.50705 8.812835 32.39245 10.03746 
-0.8854027     13.35727 
1 1 1 0   7   0  o 110.7513 1.510224  2572.434       69.84748 2603.784       
104.5992 2547.206       93.83389 111.3583 2.237313 110.1443 2.029172 1.214012 
3.020448 
1 1 1 0   7   1  o 422.2362 5.385266  37311.57       939.3452 36328.75       
1216.563 38762.58       1478.203 415.4922 6.974174 428.9802 8.207635 -13.48804 
10.77053 
1 1 1 0   7   2  f 38.98621 1.458243  319.3271       23.85320 310.6548       
34.01793 327.7153       33.45612 38.46497 2.106510 39.50744 2.017055 -1.042465 
2.916487 
1 1 1 0   7   3  o 92.89359 1.654199  1760.662       63.21883 1572.594       
80.25272 2068.220       102.6281 86.54259 2.208772 99.24458 2.463093 -12.70199 
3.308398 
1 1 1 0   7   4  o 300.9020 3.743668  18735.28       463.6779 17620.15       
592.2149 20501.75       745.3696 289.5461 4.871723 312.2578 5.685640 -22.71170 
7.487336 
1 1 1 0   7   5  o 267.2896 3.822255  14999.38       427.8041 15289.47       
630.7526 14752.25       582.1756 269.6673 5.571240 264.9118 5.234482 4.755493 
7.644509 
1 1 1 0   7   6  o 361.8948 4.737679  27537.28       719.5592 26888.28       
1001.128 28230.86       1034.935 357.4904 6.670313 366.2993 6.729737 -8.808899 
9.475359 
1 1 1 0   7   7  o 94.87137 1.723375  1856.164       67.83434 1682.117       
88.07859 2109.898       106.3477 89.50404 2.343952 100.2387 2.527049 -10.73466 
3.446750 
1 1 1 0   7   8  o 218.0606 2.026480  9705.713       167.6180 9354.457       
196.6753 10638.02       320.4185 211.0717 2.219427 225.0495 3.391257 -13.97775 
4.052960 
1 1 1 0   7   9  o 81.40991 1.569674  1368.117       52.95638 1534.978       
83.36823 1255.249       68.56625 85.50004 2.322498 77.31978 2.112228 8.180260 
3.139348 
1 1 1 0   7   10 o 114.6779 1.409464  2735.147       66.98806 2608.449       
87.12939 2918.306       104.7592 111.4622 1.861907 117.8937 2.116521 -6.431480 
2.818929 
1 1 1 0   7   11 o 247.5210 4.450092  12981.04       434.6927 13167.03       
532.8517 12610.99       751.6027 250.2807 5.071076 244.7614 7.314196 5.519318 
8.900184 
1 1 1 0   7   12 o 188.7348 2.251368  7477.197       178.3156 7620.118       
256.7864 7344.098       247.8060 190.4747 3.211114 186.9949 3.156481 3.479828 
4.502735 
1 1 1 0   7   13 o 263.1983 3.219684  14557.72       355.5585 14546.94       
494.2051 14569.30       511.9348 263.1024 4.474078 263.2942 4.631209 
-0.1918640     6.439369 
1 1 1 0   7   14 f 240.8755 2.537924  12188.77       256.1002 12184.04       
374.6630 12192.92       350.8677 240.8258 3.705602 240.9252 3.468824 
-0.9936523E-01 5.075848 
1 1 1 0   7   15 o 484.8487 6.887056  49469.81       1389.278 50758.06       
2123.363 48505.54       1837.059 490.1846 10.31776 479.5128 9.125237 10.67188 
13.77411 
1 1 1 0   7   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   7   17 f 158.0272 2.040618  5249.793       134.9606 5185.718       
198.2439 5305.142       184.2498 157.1238 3.005239 158.9306 2.761344 -1.806793 
4.081235 
1 1 1 0   7   18 o 349.9274 4.811742  25733.11       702.3896 26390.63       
1060.538 25219.35       937.4664 353.8323 7.139203 346.0226 6.453158 7.809692 
9.623485 
1 1 1 0   7   19 o 228.1271 3.543192  10961.33       332.1171 10901.77       
526.0951 11000.79       428.2348 227.5536 5.506830 228.7006 4.460009 -1.147034 
7.086385 
1 1 1 0   7   20 o 158.3233 2.021797  5284.990       131.0901 5183.986       
208.8795 5350.623       168.3781 157.0535 3.167883 159.5931 2.513000 -2.539597 
4.043594 
1 1 1 0   7   21 o 53.80988 2.443468  610.5104       55.04235 564.0350       
78.49187 655.4769       77.20729 51.78526 3.610269 55.83449 3.293645 -4.049236 
4.886936 
1 1 1 0   7   22 o 140.0516 1.943249  4138.580       112.4104 4035.170       
174.2895 4212.235       147.0930 138.5293 2.996750 141.5739 2.474742 -3.044540 
3.886497 
1 1 1 0   7   23 o 216.0728 2.363772  9800.553       210.7457 9691.166       
273.1260 9961.509       331.3089 214.6361 3.030968 217.5095 3.628073 -2.873383 
4.727545 
1 1 1 0   7   24 o 106.7601 1.751125  2340.111       77.08604 2118.110       
98.43459 2692.164       123.9582 100.3766 2.335804 113.1436 2.609554 -12.76707 
3.502249 
1 1 1 0   7   25 f 198.8191 1.976271  8335.672       164.4247 8017.498       
239.6308 8618.751       226.0282 195.2053 2.923965 202.4329 2.659515 -7.227646 
3.952542 
1 1 1 0   7   26 o 53.29499 2.688263  599.6020       59.69874 508.0293       
83.25012 696.5410       85.65475 49.08542 4.039740 57.50456 3.547891 -8.419140 
5.376526 
1 1 1 0   7   27 o 260.6533 4.027308  14416.18       439.8618 14218.95       
639.7695 14592.99       605.7415 258.8727 5.886517 262.4339 5.497794 -3.561249 
8.054615 
1 1 1 0   7   28 o 126.6682 2.510049  3363.251       132.7102 3194.892       
176.7225 3580.975       200.9675 123.0794 3.420010 130.2570 3.674903 -7.177551 
5.020097 
1 1 1 0   7   29 o 31.27010 4.301216  227.6608       57.54588 61.97074       
81.42799 392.9782       81.33641 19.49752 7.330965 43.04268 4.500977 -23.54515 
8.602432 
1 1 1 0   7   30 o 91.08698 2.278283  1751.817       87.09341 1696.536       
121.3448 1810.550       125.0773 89.60531 3.225586 92.56864 3.218368 -2.963333 
4.556567 
1 1 1 0   7   31 f 71.62280 2.677969  1093.358       80.19979 1021.063       
116.0763 1159.394       110.9374 69.30418 3.989377 73.94141 3.573644 -4.637238 
5.355937 
1 1 1 0   7   32 o 16.79696 7.266370  -2.876225      94.12430 -2.876225      
94.12430 0.000000       0.000000 16.79696 7.266370 ?        ?        ? ? 
1 1 1 0   7   33 o 38.19036 4.944035  339.0810       74.72454 368.9011       
96.18240 293.6775       118.6823 41.09795 5.574379 35.28277 8.167021 5.815182 
9.888070 
1 1 1 0   7   34 o 41.76211 4.908604  402.0618       83.21216 350.0261       
119.5925 450.8967       115.8559 38.52396 7.666307 45.00026 6.132315 -6.476292 
9.817207 
1 1 1 0   7   35 o 67.17050 3.561682  993.1400       100.3232 1061.527       
144.1418 928.8859       139.7184 69.47034 4.942100 64.87065 5.130105 4.599693 
7.123365 
1 1 1 0   7   36 o 83.95834 3.256498  1551.704       114.5815 1577.151       
167.6309 1529.387       156.9787 84.49918 4.725226 83.41752 4.482337 1.081657 
6.512995 
1 1 1 0   7   37 o 24.71528 6.013340  138.7789       82.31925 45.37472       
113.4643 242.5805       119.6130 19.21074 8.132968 30.21983 8.859790 -11.00910 
12.02668 
1 1 1 0   7   38 o 20.44360 5.961194  79.65665       83.86943 39.07557       
116.9097 122.6865       120.3853 18.56283 8.065182 22.32436 8.780442 -3.761538 
11.92239 
1 1 1 0   8   0  o 107.3442 1.495345  2418.235       67.20342 2404.230       
91.56057 2434.592       98.94882 107.0083 2.038038 107.6801 2.188751 
-0.6718063     2.990690 
1 1 1 0   8   1  o 66.07458 1.382430  915.9247       38.01064 911.2527       
50.44806 922.0601       57.81151 65.88067 1.823927 66.26851 2.077917 
-0.3878403     2.764860 
1 1 1 0   8   2  o 286.1135 3.163876  17098.40       339.9184 16972.43       
398.8937 17432.47       649.5755 284.2651 3.342371 287.9618 5.372987 -3.696686 
6.327751 
1 1 1 0   8   3  o 83.19736 1.408998  1452.851       49.07598 1309.470       
68.43754 1604.626       70.41241 78.97254 2.064141 87.42216 1.918442 -8.449623 
2.817996 
1 1 1 0   8   4  o 292.2420 2.985034  17702.00       325.3466 18472.32       
632.1120 17424.38       379.4698 296.4492 5.078844 288.0349 3.138002 8.414337 
5.970068 
1 1 1 0   8   5  o 232.7285 3.279320  11345.42       318.8732 11028.31       
427.8456 11741.68       478.2646 229.0922 4.448338 236.3649 4.819549 -7.272614 
6.558640 
1 1 1 0   8   6  o 91.63127 1.518695  1760.373       57.97824 1783.442       
87.84348 1742.567       77.17569 92.16113 2.270298 91.10140 2.017793 1.059731 
3.037390 
1 1 1 0   8   7  o 29.14347 2.270384  178.8872       27.42787 143.6303       
38.07919 216.9007       39.53975 26.14957 3.468520 32.13737 2.930519 -5.987804 
4.540768 
1 1 1 0   8   8  o 297.7263 2.167856  18310.34       257.3300 17676.90       
315.0423 19580.16       446.0521 290.1375 2.586343 305.3152 3.479831 -15.17773 
4.335712 
1 1 1 0   8   9  o 178.7395 2.048784  6714.457       152.9764 6656.797       
227.4992 6762.045       206.6789 178.0345 3.043664 179.4445 2.743388 -1.409943 
4.097569 
1 1 1 0   8   10 o 208.8951 2.510229  9149.791       219.6501 9398.287       
323.4256 8937.062       299.2458 211.5192 3.642047 206.2709 3.455503 5.248367 
5.020459 
1 1 1 0   8   11 o 29.26216 2.810776  179.9985       34.27735 209.8230       
49.38258 152.2690       47.61662 31.60412 3.721784 26.92020 4.213096 4.683916 
5.621552 
1 1 1 0   8   12 o 177.0083 2.352032  6577.131       174.4389 6640.884       
255.4665 6521.440       238.7671 177.8084 3.422179 176.2082 3.227523 1.600204 
4.704063 
1 1 1 0   8   13 f 175.9352 2.513500  6433.718       182.2734 6851.182       
290.3690 6162.246       234.1548 180.5857 3.829905 171.2847 3.256158 9.300995 
5.027001 
1 1 1 0   8   14 o 473.4310 3.748051  47083.40       741.3502 46705.54       
998.4261 47547.74       1106.782 471.3513 5.045362 475.5106 5.543995 -4.159271 
7.496102 
1 1 1 0   8   15 o 73.45572 2.617637  1120.556       80.23106 1258.752       
121.9181 1014.994       106.5551 77.40371 3.751694 69.50773 3.651423 7.895981 
5.235275 
1 1 1 0   8   16 o 330.4987 3.522043  23049.94       474.6369 22607.53       
765.1187 23326.69       605.1496 327.8466 5.558776 333.1507 4.326564 -5.304047 
7.044086 
1 1 1 0   8   17 o 384.7580 6.049236  31231.35       965.7363 31284.20       
1483.830 31192.51       1272.020 384.8882 9.182707 384.6278 7.877242 0.2603760 
12.09847 
1 1 1 0   8   18 o 106.4739 2.202360  2361.270       96.92765 2494.607       
152.7501 2271.392       125.4108 108.9622 3.339078 103.9856 2.872650 4.976662 
4.404720 
1 1 1 0   8   19 o 133.7958 2.048345  3765.031       114.9334 3614.554       
164.0338 3910.151       161.0871 131.1637 2.978797 136.4280 2.812408 -5.264343 
4.096691 
1 1 1 0   8   20 o 87.81382 2.014942  1607.196       72.37007 1677.352       
117.4612 1564.270       91.88065 89.33705 3.131726 86.29059 2.536189 3.046463 
4.029884 
1 1 1 0   8   21 o 130.5892 2.230721  3575.099       121.4254 3667.025       
184.0552 3504.257       161.5754 132.0610 3.319666 129.1175 2.980652 2.943558 
4.461442 
1 1 1 0   8   22 o 161.1491 2.807108  5413.918       185.1149 5701.835       
300.5818 5237.993       234.9595 164.5193 4.351779 157.7789 3.547033 6.740479 
5.614215 
1 1 1 0   8   23 o 61.78832 2.478575  811.9000       62.74540 599.7042       
87.42558 1037.306       90.10590 53.35624 3.902783 70.22040 3.056406 -16.86416 
4.957150 
1 1 1 0   8   24 o 53.79633 2.653707  617.2139       59.09507 508.4346       
84.72424 720.2757       82.46754 49.10394 4.109722 58.48873 3.358397 -9.384789 
5.307414 
1 1 1 0   8   25 o 43.28908 3.031217  395.5922       55.05316 385.7566       
78.64643 405.0425       77.09072 42.75634 4.381266 43.82183 4.190180 -1.065491 
6.062433 
1 1 1 0   8   26 o 93.11154 2.087478  1823.478       81.48058 1838.183       
118.7356 1810.389       112.0194 93.46060 3.026031 92.76247 2.876351 0.6981277 
4.174956 
1 1 1 0   8   27 o 85.96725 2.180422  1557.116       78.61079 1476.297       
111.3152 1637.521       111.0303 83.73342 3.166479 88.20107 2.998393 -4.467651 
4.360843 
1 1 1 0   8   28 o 76.26516 2.333107  1224.666       74.60209 1317.799       
107.3888 1137.799       103.7137 79.07037 3.234941 73.45995 3.362843 5.610428 
4.666214 
1 1 1 0   8   29 o 117.3390 2.077102  2895.711       101.5493 2959.296       
154.0951 2846.897       135.0139 118.4462 3.098766 116.2318 2.766779 2.214363 
4.154205 
1 1 1 0   8   30 o 70.94514 2.402155  1062.547       71.41075 973.3312       
99.10817 1158.877       102.9834 67.84010 3.479717 74.05018 3.312547 -6.210075 
4.804311 
1 1 1 0   8   31 o 33.29921 4.317469  247.8912       58.21355 192.5716       
83.67751 299.7768       81.03869 29.19096 6.923574 37.40747 5.160064 -8.216515 
8.634937 
1 1 1 0   8   32 o 47.61948 3.549756  492.6295       70.23212 431.0484       
102.0462 548.0499       96.80721 44.66251 5.442202 50.57646 4.559113 -5.913952 
7.099512 
1 1 1 0   8   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   8   34 o 36.88279 5.374029  326.2204       86.74965 116.8647       
120.6801 550.0718       124.7881 23.94543 8.940168 49.82016 5.966081 -25.87473 
10.74806 
1 1 1 0   8   35 o 37.61922 5.642687  342.8792       86.50641 391.9165       
123.1796 295.1589       121.5144 40.62064 7.505167 34.61779 8.428056 6.002842 
11.28537 
1 1 1 0   8   36 o 23.11059 6.205205  112.6489       84.24491 78.90347       
119.3627 146.1439       118.9191 21.37059 8.621024 24.85059 8.927274 -3.480007 
12.41041 
1 1 1 0   8   37 o 30.30844 6.182282  241.1862       82.95500 239.9645       
114.8806 242.5173       119.9134 30.29825 8.619204 30.31864 8.865202 
-0.2038574E-01 12.36456 
1 1 1 0   8   38 o 34.27646 5.836164  318.5217       90.10657 187.3618       
127.9215 447.6847       126.9440 25.95848 9.265601 42.59445 7.098722 -16.63597 
11.67233 
1 1 1 0   8   39 o 41.51285 5.617321  498.4568       102.1321 171.7113       
143.5141 833.7401       145.3770 24.22173 9.567750 58.80397 5.888575 -34.58224 
11.23464 
1 1 1 0   9   0  o 391.9302 4.286411  32098.16       627.7379 31852.75       
734.4363 32763.53       1209.309 389.3348 4.493161 394.5256 7.301012 -5.190826 
8.572822 
1 1 1 0   9   1  o 242.2135 3.143129  12311.37       318.2946 12153.38       
429.6631 12503.54       473.8464 240.5038 4.255270 243.9232 4.627064 -3.419418 
6.286259 
1 1 1 0   9   2  o 89.74677 1.525382  1692.336       57.30159 1675.842       
84.15574 1706.592       78.24058 89.33793 2.243721 90.15562 2.067094 
-0.8176880     3.050765 
1 1 1 0   9   3  o 80.77525 1.532659  1355.317       51.64326 1245.316       
68.46060 1500.565       78.66782 77.01325 2.117368 84.53726 2.216511 -7.524010 
3.065317 
1 1 1 0   9   4  o 131.6721 1.933314  3600.888       103.2083 3792.120       
171.6881 3492.679       129.1484 134.3734 3.043321 128.9708 2.385166 5.402603 
3.866629 
1 1 1 0   9   5  o 71.67936 1.543061  1078.384       46.35680 1085.863       
67.67232 1071.772       63.63100 71.91293 2.241430 71.44579 2.121354 0.4671326 
3.086122 
1 1 1 0   9   6  o 145.0164 1.716543  4350.320       101.3418 4161.373       
127.2551 4677.906       167.5588 140.7804 2.153050 149.2525 2.674033 -8.472092 
3.433086 
1 1 1 0   9   7  o 139.3267 1.474654  4013.795       84.70536 3770.103       
108.5370 4393.468       135.4755 134.0018 1.929249 144.6517 2.230788 -10.64996 
2.949307 
1 1 1 0   9   8  o 295.3862 3.369002  18269.28       415.0990 18915.31       
628.2196 17768.64       553.0214 299.9873 4.988037 290.7852 4.529922 9.202179 
6.738004 
1 1 1 0   9   9  o 95.68134 1.843958  1911.124       73.80455 1794.403       
99.33949 2054.929       110.2640 92.44034 2.559655 98.92233 2.654976 -6.481995 
3.687917 
1 1 1 0   9   10 o 167.0612 2.029246  5869.624       141.8665 5748.860       
208.0075 5974.654       193.9846 165.4490 2.994580 168.6733 2.739316 -3.224304 
4.058492 
1 1 1 0   9   11 o 39.86830 2.279617  333.7270       37.88920 388.9408       
54.74179 282.9513       52.49561 43.03395 3.029904 36.70264 3.406801 6.331306 
4.559233 
1 1 1 0   9   12 o 577.6660 8.272837  70561.01       2005.371 70819.92       
2884.104 70318.66       2790.269 578.6285 11.87223 576.7034 11.52430 1.925049 
16.54567 
1 1 1 0   9   13 o 135.0722 1.817150  3816.891       102.6663 3674.989       
138.3553 3990.773       153.1542 132.2904 2.491085 137.8540 2.646248 -5.563553 
3.634300 
1 1 1 0   9   14 o 427.8815 3.659155  38483.19       654.3683 38583.70       
973.2663 38400.27       883.9946 428.3602 5.411824 427.4028 4.926442 0.9573975 
7.318310 
1 1 1 0   9   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   9   16 o 258.8346 4.152374  14095.02       446.1342 14098.03       
684.2518 14092.80       588.3994 258.8147 6.297210 258.8545 5.414240 
-0.3982544E-01 8.304749 
1 1 1 0   9   17 o 115.3507 1.849749  2804.346       89.26455 2597.397       
128.2422 2998.853       124.3270 111.2050 2.746806 119.4965 2.478173 -8.291496 
3.699498 
1 1 1 0   9   18 o 236.8323 2.312861  11628.14       218.9698 12291.65       
376.4615 11288.89       269.1907 241.8396 3.707782 231.8250 2.765801 10.01462 
4.625721 
1 1 1 0   9   19 o 152.6973 2.019250  4873.937       126.8948 5020.888       
201.7493 4777.750       163.2239 154.5804 3.108698 150.8141 2.577882 3.766327 
4.038499 
1 1 1 0   9   20 o 152.9180 1.958623  4866.953       123.7663 5167.287       
195.4131 4665.775       159.9337 156.8096 2.968263 149.0265 2.556215 7.783020 
3.917246 
1 1 1 0   9   21 o 237.2271 2.760236  11660.41       250.8992 12281.37       
467.1107 11408.61       297.4503 241.4909 4.607233 232.9633 3.041221 8.527664 
5.520473 
1 1 1 0   9   22 o 344.6238 3.833359  24493.33       422.0543 25968.13       
1020.299 24188.88       463.5756 350.1307 6.940939 339.1168 3.256059 11.01395 
7.666718 
1 1 1 0   9   23 f 156.0014 1.849723  5057.838       115.6347 5311.983       
197.4623 4925.198       142.6537 158.9151 2.959648 153.0878 2.219544 5.827316 
3.699445 
1 1 1 0   9   24 o 37.68113 3.340492  299.7012       52.58067 341.4346       
75.75636 260.9084       73.03866 40.22216 4.486160 35.14010 4.950748 5.082058 
6.680983 
1 1 1 0   9   25 o 198.2722 2.084467  8292.165       171.3920 8137.554       
262.4952 8407.063       226.2855 196.6189 3.179928 199.9255 2.695936 -3.306656 
4.168934 
1 1 1 0   9   26 f 226.5131 2.232219  10667.42       206.6862 10247.36       
261.4847 11366.87       337.4203 220.7046 2.821994 232.3217 3.459414 -11.61710 
4.464437 
1 1 1 0   9   27 o 91.80865 2.069345  1755.778       79.35245 1573.580       
106.1766 1986.307       119.4318 86.46872 2.924764 97.14860 2.928226 -10.67988 
4.138690 
1 1 1 0   9   28 o 77.00710 2.318546  1252.018       74.80894 1210.469       
108.1491 1290.138       103.5897 75.76813 3.399832 78.24606 3.153373 -2.477936 
4.637092 
1 1 1 0   9   29 o 68.67789 2.508509  995.9231       72.22173 1002.863       
105.1979 989.7358       99.32855 68.89324 3.637068 68.46255 3.455749 0.4306946 
5.017017 
1 1 1 0   9   30 o 56.73738 2.827939  682.2492       67.35685 694.7867       
95.75973 669.9715       94.76204 57.25538 3.983709 56.21939 4.014850 1.035995 
5.655879 
1 1 1 0   9   31 o 58.93093 2.684059  737.1688       66.38512 749.7436       
93.24790 724.2457       94.53070 59.45060 3.735975 58.41126 3.854760 1.039333 
5.368117 
1 1 1 0   9   32 o 129.0938 2.250341  3536.177       121.8291 3695.482       
171.3627 3373.369       173.2373 132.0723 3.090478 126.1152 3.271862 5.957008 
4.500682 
1 1 1 0   9   33 o 21.66333 5.612815  66.27939       67.31787 161.7897       
113.6409 14.64555       83.55583 26.70517 8.771708 16.62149 7.005135 10.08368 
11.22563 
1 1 1 0   9   34 o 57.00672 5.470234  713.3649       130.9215 0.000000       
0.000000 713.3649       130.9215 ?        ?        57.00672 5.470234 ? ? 
1 1 1 0   9   35 o 66.93984 3.689994  987.0970       103.6177 933.6428       
144.3223 1043.964       148.8582 65.02927 5.286223 68.85041 5.149763 -3.821136 
7.379987 
1 1 1 0   9   36 o 44.30946 4.979318  461.7582       90.07576 410.1242       
126.2383 515.3142       128.5663 41.21577 7.578996 47.40314 6.460128 -6.187366 
9.958636 
1 1 1 0   9   37 o 22.01323 5.695005  58.03130       83.82673 -97.98594      
116.8289 223.5867       120.3472 14.87099 7.026418 29.15548 8.964474 -14.28449 
11.39001 
1 1 1 0   9   38 o 18.05088 5.610699  18.09119       82.31927 -3.496079      
113.6337 41.93107       119.4154 17.06570 7.650491 19.03606 8.209126 -1.970362 
11.22140 
1 1 1 0   9   39 o 59.03202 4.949887  833.9435       111.3547 516.4908       
143.1331 1320.685       177.2350 43.65685 8.112721 74.40720 5.673560 -30.75035 
9.899775 
1 1 1 0   10  0  o 398.6415 4.260418  33512.98       659.8604 33663.40       
795.6732 33181.68       1180.879 400.2219 4.735382 397.0612 7.083842 3.160736 
8.520837 
1 1 1 0   10  1  o 145.2308 1.792406  4405.553       108.9854 4104.452       
147.6464 4766.018       161.5470 139.8079 2.515430 150.6537 2.554113 -10.84579 
3.584812 
1 1 1 0   10  2  o 245.4505 2.274853  12654.80       234.3940 12773.43       
330.0272 12534.05       332.9585 246.6125 3.187540 244.2884 3.246448 2.324188 
4.549707 
1 1 1 0   10  3  o 102.7938 1.476485  2201.704       62.87407 2120.235       
81.81522 2319.217       98.26169 100.4906 1.939232 105.0971 2.226972 -4.606483 
2.952969 
1 1 1 0   10  4  o 151.8432 1.582714  4837.332       100.6588 4895.693       
147.9112 4786.988       137.3778 152.6943 2.307275 150.9920 2.167123 1.702301 
3.165429 
1 1 1 0   10  5  o 159.2077 2.870467  5350.667       166.5964 5274.208       
330.6265 5376.686       192.8705 158.4079 4.971437 160.0075 2.871089 -1.599625 
5.740934 
1 1 1 0   10  6  o 224.0506 1.744744  10483.53       161.9093 10205.12       
211.0053 10882.15       252.4861 220.4582 2.279756 227.6431 2.641826 -7.184906 
3.489488 
1 1 1 0   10  7  o 338.8700 2.923597  24027.61       394.9879 23813.47       
486.3797 24442.38       676.9041 336.7079 3.440671 341.0321 4.727733 -4.324188 
5.847194 
1 1 1 0   10  8  o 147.0732 2.158295  4481.834       131.6594 4177.038       
171.1217 4924.017       206.1111 141.0311 2.890088 153.1154 3.206296 -12.08421 
4.316590 
1 1 1 0   10  9  o 256.1934 2.929029  13736.59       313.4380 13289.38       
419.6756 14300.70       471.3468 251.5056 3.974543 260.8812 4.303470 -9.375671 
5.858058 
1 1 1 0   10  10 o 436.9079 4.636982  40183.63       848.0482 40446.38       
1157.803 39879.49       1245.652 438.4896 6.289218 435.3262 6.815581 3.163391 
9.273964 
1 1 1 0   10  11 o 253.6653 2.747572  13518.29       292.5703 13221.21       
412.5527 13818.87       414.9715 250.8600 3.917140 256.4707 3.853910 -5.610703 
5.495144 
1 1 1 0   10  12 o 72.42256 1.841681  1077.570       55.35293 896.4732       
72.69293 1327.477       85.39362 65.33715 2.650044 79.50798 2.558208 -14.17083 
3.683362 
1 1 1 0   10  13 o 416.9318 5.589414  36563.86       976.9434 35647.41       
1339.289 37606.03       1428.207 411.3847 7.754380 422.4789 8.052066 -11.09415 
11.17883 
1 1 1 0   10  14 o 156.6569 1.962911  5072.654       120.9422 5384.626       
215.1338 4928.501       146.2385 160.1111 3.200430 153.2027 2.273613 6.908386 
3.925821 
1 1 1 0   10  15 o 294.4520 6.826782  18060.83       774.7802 18927.70       
1425.419 17697.32       923.0391 299.0717 11.35241 289.8322 7.585680 9.239563 
13.65356 
1 1 1 0   10  16 o 74.66364 2.190154  1174.557       68.43344 1083.084       
97.80135 1262.305       95.78902 71.80441 3.244253 77.52285 2.943114 -5.718437 
4.380308 
1 1 1 0   10  17 o 113.4747 1.938437  2695.077       90.99254 2759.074       
142.0936 2650.590       118.4697 114.6074 2.953133 112.3420 2.511805 2.265388 
3.876875 
1 1 1 0   10  18 o 142.8047 2.181212  4254.686       130.2560 3789.574       
176.5886 4809.756       192.9114 134.3021 3.131851 151.3074 3.036818 -17.00537 
4.362425 
1 1 1 0   10  19 o 140.5766 2.390744  4080.873       136.8775 4444.504       
226.6272 3872.049       171.7404 145.4033 3.712435 135.7499 3.013380 9.653320 
4.781488 
1 1 1 0   10  20 o 146.3052 2.362198  4397.937       141.4629 4074.817       
178.3676 4945.767       232.2510 139.2428 3.051154 153.3676 3.606990 -14.12477 
4.724396 
1 1 1 0   10  21 o 274.8737 4.106875  15925.34       467.5567 16058.32       
724.3001 15830.33       612.1970 275.7407 6.256606 274.0068 5.321707 1.733887 
8.213750 
1 1 1 0   10  22 f 43.32166 3.341714  417.5911       56.94271 260.6542       
82.79948 558.4225       78.43589 35.13136 5.613758 51.51196 3.626835 -16.38059 
6.683428 
1 1 1 0   10  23 o 72.62513 2.263262  1090.834       68.28999 1243.611       
106.3709 983.7150       89.06940 76.87156 3.295930 68.37870 3.102621 8.492859 
4.526524 
1 1 1 0   10  24 o 117.4290 1.877284  2897.184       92.50417 2797.534       
128.4298 3004.617       133.3502 115.3330 2.652364 119.5251 2.657393 -4.192047 
3.754567 
1 1 1 0   10  25 o 131.5641 2.478177  3660.436       134.9549 3553.361       
207.4467 3739.003       177.6982 129.8500 3.805272 133.2781 3.175743 -3.428116 
4.956353 
1 1 1 0   10  26 o 166.4704 2.003985  5814.857       139.8744 5510.096       
192.0654 6159.033       204.1080 161.8389 2.826748 171.1019 2.841360 -9.262955 
4.007971 
1 1 1 0   10  27 o 127.1774 2.436479  3406.411       129.9096 3426.065       
189.0385 3388.823       178.8264 127.5135 3.531142 126.8413 3.358087 0.6721573 
4.872957 
1 1 1 0   10  28 o 29.40357 4.622437  191.9981       57.69097 119.5844       
82.38168 261.6848       80.81557 23.70198 7.443162 35.10516 5.483340 -11.40318 
9.244873 
1 1 1 0   10  29 o 87.36130 2.140122  1619.541       77.94765 1427.093       
111.6785 1802.349       108.8454 82.24067 3.234476 92.48193 2.803329 -10.24126 
4.280244 
1 1 1 0   10  30 o 21.53306 5.003252  89.09520       56.24101 30.35952       
79.90398 146.7635       79.17464 17.41158 7.041326 25.65453 7.109841 -8.242950 
10.00650 
1 1 1 0   10  31 o 26.36501 4.440846  150.4365       56.34369 33.95781       
79.98746 265.1529       79.38005 17.56581 7.069192 35.16422 5.376895 -17.59841 
8.881693 
1 1 1 0   10  32 o 20.55931 4.968160  74.75848       57.65721 143.0763       
79.28267 -1.932792      84.00096 25.14489 7.162612 15.97373 6.886759 9.171163 
9.936320 
1 1 1 0   10  33 o 93.17722 2.928519  1846.263       103.4090 1893.208       
194.3798 1827.732       122.1248 93.59332 4.946834 92.76111 3.135878 0.8322067 
5.857038 
1 1 1 0   10  34 o 21.16606 5.719051  48.06271       70.51790 161.9890       
123.6030 -6.913869      85.86298 26.61917 9.145678 15.71295 6.869263 10.90622 
11.43810 
1 1 1 0   10  35 o 44.85743 5.718464  536.3251       99.81976 236.0454       
150.5418 771.9355       133.3495 30.60708 10.09591 59.10778 5.373631 -28.50069 
11.43693 
1 1 1 0   10  36 o 32.23834 6.347995  265.8259       89.07560 271.9124       
122.2009 258.9256       130.1150 32.76059 8.725947 31.71609 9.222038 1.044495 
12.69599 
1 1 1 0   10  37 o 30.27943 6.230017  238.5496       87.12438 312.0681       
123.9490 166.7529       122.4889 34.81875 8.533902 25.74010 9.078820 9.078644 
12.46003 
1 1 1 0   10  38 o 58.57871 4.622871  801.0605       101.2663 455.7348       
133.5363 1268.426       155.3507 42.29781 7.813510 74.85961 4.942956 -32.56180 
9.245743 
1 1 1 0   10  39 o 31.40865 5.967243  278.8224       89.34544 137.2184       
123.7134 433.1937       129.1702 22.66545 8.905312 40.15186 7.945274 -17.48640 
11.93449 
1 1 1 0   11  0  o 403.8746 4.686515  34091.42       785.4377 32891.91       
1027.186 35780.14       1218.780 395.4381 6.187162 412.3111 7.040791 -16.87299 
9.373031 
1 1 1 0   11  1  o 118.6117 1.648376  2953.713       81.82500 2948.993       
111.3321 2959.259       120.6668 118.5100 2.237620 118.7134 2.421080 
-0.2034302     3.296751 
1 1 1 0   11  2  o 285.5807 3.025501  16909.56       335.0184 16557.28       
400.8271 17726.06       610.2261 280.7619 3.400478 290.3996 5.005136 -9.637665 
6.051003 
1 1 1 0   11  3  o 246.1342 3.168888  12705.87       321.3730 12858.62       
507.0342 12603.29       415.4934 247.3442 4.882661 244.9243 4.040670 2.419922 
6.337775 
1 1 1 0   11  4  o 307.6937 3.901914  19937.56       503.0185 19304.74       
727.9582 20515.82       695.8769 302.9952 5.722579 312.3923 5.305829 -9.397064 
7.803827 
1 1 1 0   11  5  o 143.9121 2.161124  4352.963       130.2143 4303.377       
190.7952 4396.197       178.1555 143.1415 3.174847 144.6826 2.932946 -1.541061 
4.322248 
1 1 1 0   11  6  o 269.5379 2.959332  15209.57       334.2507 14340.23       
456.1115 16217.99       491.2451 261.2503 4.158487 277.8255 4.211601 -16.57520 
5.918665 
1 1 1 0   11  7  o 163.9008 1.949090  5576.508       129.2029 5879.228       
216.2492 5408.456       161.1229 167.3121 3.078565 160.4896 2.391287 6.822556 
3.898180 
1 1 1 0   11  8  o 185.4108 2.534927  7229.625       196.7664 7102.757       
287.9291 7340.789       269.5215 183.8777 3.729732 186.9439 3.434023 -3.066223 
5.069853 
1 1 1 0   11  9  o 461.8846 5.167734  44946.18       1000.889 44092.42       
1443.335 45737.05       1389.161 457.6188 7.512496 466.1503 7.098190 -8.531494 
10.33547 
1 1 1 0   11  10 o 34.87307 2.489678  255.9352       36.37791 271.6653       
51.08280 239.7494       51.81735 35.96319 3.383277 33.78294 3.653413 2.180244 
4.979357 
1 1 1 0   11  11 o 278.1955 2.543233  16264.13       296.1577 16172.26       
435.3130 16343.30       404.0883 277.4559 3.737048 278.9351 3.450597 -1.479156 
5.086467 
1 1 1 0   11  12 o 210.3226 2.645383  9228.527       229.4250 9628.550       
363.5530 8963.795       295.7533 214.0697 4.045141 206.5755 3.410138 7.494217 
5.290766 
1 1 1 0   11  13 o 31.75701 2.992313  211.3401       39.62216 216.7784       
59.97065 207.1273       52.78333 32.11683 4.447615 31.39719 4.004305 0.7196369 
5.984625 
1 1 1 0   11  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   11  15 o 235.4259 3.339836  11508.95       318.4250 12183.67       
531.7161 11131.65       397.6079 240.6989 5.261709 230.1529 4.114904 10.54599 
6.679672 
1 1 1 0   11  16 o 344.7910 4.499035  25068.60       645.5513 24702.86       
976.0933 25352.96       860.6588 342.4836 6.788481 347.0984 5.906082 -4.614838 
8.998071 
1 1 1 0   11  17 o 403.6793 6.250215  34353.36       1037.623 34766.39       
1646.052 34081.02       1336.636 405.4403 9.670250 401.9183 7.921300 3.521973 
12.50043 
1 1 1 0   11  18 o 28.74469 3.961249  179.8933       46.08442 178.7309       
65.94426 181.0029       64.42860 28.64107 5.686211 28.84832 5.516610 
-0.2072563     7.922498 
1 1 1 0   11  19 o 129.0047 2.336591  3482.143       124.6098 3584.966       
195.2724 3411.508       161.8465 130.5915 3.561614 127.4178 3.025481 3.173767 
4.673182 
1 1 1 0   11  20 o 164.5676 2.897285  5707.481       199.8266 5463.654       
287.0099 5936.870       278.3824 161.1375 4.242497 167.9978 3.946929 -6.860336 
5.794569 
1 1 1 0   11  21 o 272.3823 4.393105  15693.33       500.6281 15400.93       
735.5328 15945.71       683.3353 269.9375 6.490226 274.8271 5.922368 -4.889587 
8.786209 
1 1 1 0   11  22 o 231.7261 3.703092  11354.83       352.7456 11227.48       
557.0549 11440.08       455.7665 230.5082 5.756158 232.9440 4.660279 -2.435822 
7.406184 
1 1 1 0   11  23 o 172.4343 2.713469  6256.973       191.0914 6292.446       
308.6767 6234.931       243.3236 172.7604 4.255796 172.1082 3.367470 0.6521454 
5.426938 
1 1 1 0   11  24 f 166.5764 2.330113  5833.503       156.5667 5872.005       
260.8096 5811.811       195.7654 166.9383 3.721247 166.2146 2.805356 0.7237854 
4.660226 
1 1 1 0   11  25 o 162.1892 2.244744  5441.872       148.5776 5932.551       
244.7086 5155.367       186.9892 167.8369 3.472824 156.5415 2.845170 11.29547 
4.489487 
1 1 1 0   11  26 o 112.3003 2.396074  2629.487       110.1919 2771.940       
178.5995 2541.932       140.0185 114.6971 3.708931 109.9035 3.034554 4.793602 
4.792149 
1 1 1 0   11  27 o 111.9939 2.107450  2643.915       98.90599 2563.230       
142.9488 2718.013       136.9898 110.3414 3.085766 113.6463 2.871138 -3.304848 
4.214900 
1 1 1 0   11  28 o 125.3110 2.456324  3312.556       129.1911 3236.702       
183.2324 3387.541       182.1797 123.8757 3.523198 126.7462 3.423623 -2.870483 
4.912648 
1 1 1 0   11  29 o 62.91227 2.570164  836.5767       67.70614 759.2454       
94.83630 916.9648       96.69257 59.93056 3.769184 65.89397 3.495171 -5.963417 
5.140328 
1 1 1 0   11  30 f 98.63014 2.153212  2053.473       89.15324 2018.013       
125.8441 2089.202       126.3207 97.77158 3.065783 99.48871 3.024278 -1.717125 
4.306423 
1 1 1 0   11  31 o 54.81997 2.894023  638.9655       65.48510 493.8444       
90.06406 801.7393       95.38463 48.15000 4.455293 61.48993 3.694838 -13.33994 
5.788045 
1 1 1 0   11  32 o 51.74770 3.094869  568.9272       67.01659 635.3292       
98.89563 512.5425       91.13132 54.53533 4.319368 48.96007 4.433499 5.575256 
6.189738 
1 1 1 0   11  33 o 46.78105 4.000498  449.0785       74.39349 566.0945       
133.2920 396.1360       89.65691 50.75458 6.255327 42.80753 4.988668 7.947048 
8.000996 
1 1 1 0   11  34 o 70.74220 2.995633  1076.491       86.69589 1087.411       
139.3469 1069.594       110.7381 70.82941 4.686028 70.65499 3.733149 0.1744156 
5.991265 
1 1 1 0   11  35 o 31.96663 5.657656  224.0375       73.39086 343.6384       
128.1559 165.6742       89.52431 37.58609 8.341313 26.34715 7.645833 11.23894 
11.31531 
1 1 1 0   11  36 o 69.49661 3.698551  1072.818       107.8720 1033.916       
150.6432 1113.758       154.5396 68.18055 5.262718 70.81267 5.198164 -2.632118 
7.397101 
1 1 1 0   11  37 o 58.01066 5.671074  764.3614       138.1186 764.3614       
138.1186 0.000000       0.000000 58.01066 5.671074 ?        ?        ? ? 
1 1 1 0   11  38 o 49.37513 4.951757  586.0347       96.37470 411.9614       
129.8363 799.6329       143.8232 40.07976 7.999185 58.67049 5.838889 -18.59073 
9.903514 
1 1 1 0   11  39 o 22.24189 6.205115  127.7112       85.21601 121.7345       
118.2041 134.1788       122.9640 21.91293 8.674503 22.57085 8.875068 
-0.6579227     12.41023 
1 1 1 0   12  0  o 418.8215 4.322783  37156.38       686.1466 36292.80       
1277.493 37506.50       813.4363 415.1900 7.328798 422.4530 4.586340 -7.262970 
8.645565 
1 1 1 0   12  1  o 569.5901 6.761145  68401.25       1616.332 66655.40       
2253.191 70252.09       2319.948 562.1110 9.547661 577.0691 9.575724 -14.95807 
13.52229 
1 1 1 0   12  2  o 270.1398 2.793947  15362.23       305.9099 15214.01       
501.9042 15449.84       385.8664 269.0710 4.442986 271.2086 3.388868 -2.137543 
5.587894 
1 1 1 0   12  3  o 145.5383 2.154115  4437.977       130.5424 4529.387       
198.6132 4368.453       173.2123 146.8503 3.221473 144.2263 2.860589 2.623993 
4.308231 
1 1 1 0   12  4  o 479.3043 4.727772  47599.14       784.9551 47041.08       
884.9529 49658.30       1699.900 473.1340 4.455096 485.4745 8.340230 -12.34055 
9.455544 
1 1 1 0   12  5  o 44.55929 1.787390  410.5098       33.12212 342.3306       
44.08313 498.8970       50.19283 40.37570 2.600600 48.74289 2.452740 -8.367188 
3.574780 
1 1 1 0   12  6  o 257.3622 2.498449  13865.13       249.7970 14039.95       
449.7076 13787.13       300.4030 258.4991 4.143738 256.2253 2.792566 2.273804 
4.996898 
1 1 1 0   12  7  o 416.7801 2.802981  36014.38       463.1136 35077.87       
564.6142 37939.85       809.5917 408.6635 3.290842 424.8966 4.538412 -16.23303 
5.605963 
1 1 1 0   12  8  o 143.6367 1.726828  4331.983       104.1300 4294.495       
146.4577 4370.306       148.0797 143.0084 2.439337 144.2651 2.444867 -1.256668 
3.453655 
1 1 1 0   12  9  o 262.4513 2.840807  14437.33       300.8325 14347.43       
376.0237 14597.19       501.4277 261.3504 3.426991 263.5521 4.531719 -2.201660 
5.681615 
1 1 1 0   12  10 o 125.6996 1.673634  3268.370       86.15792 3536.279       
140.3427 3106.325       109.1470 129.7684 2.575977 121.6309 2.137415 8.137466 
3.347268 
1 1 1 0   12  11 o 265.8839 2.510475  14847.07       279.2291 14891.73       
413.0721 14809.49       378.9144 266.2440 3.695447 265.5237 3.399060 0.7203064 
5.020950 
1 1 1 0   12  12 o 131.5199 2.216596  3630.961       122.3441 3707.181       
176.0881 3559.831       170.1081 132.8529 3.157040 130.1869 3.112279 2.665970 
4.433191 
1 1 1 0   12  13 o 479.6052 7.273475  48631.79       1463.425 47294.66       
2091.188 49915.08       2048.657 473.0666 10.52912 486.1438 10.03750 -13.07727 
14.54695 
1 1 1 0   12  14 o 283.5354 5.933736  16572.44       614.5461 17724.84       
1239.612 16196.92       707.6262 289.6229 10.19469 277.4480 6.074961 12.17493 
11.86747 
1 1 1 0   12  15 o 235.5879 3.086724  11499.94       288.2222 12164.85       
504.4978 11177.76       351.1746 240.5237 4.996000 230.6521 3.626493 9.871643 
6.173449 
1 1 1 0   12  16 o 144.1237 2.200112  4357.021       132.2630 4419.686       
199.3418 4307.737       176.7803 145.0425 3.273589 143.2050 2.940336 1.837509 
4.400223 
1 1 1 0   12  17 o 260.8359 3.500210  14083.71       361.1332 14986.65       
635.4663 13652.99       438.8948 266.8267 5.672629 254.8450 4.102092 11.98166 
7.000420 
1 1 1 0   12  18 f 131.6625 2.145632  3608.007       114.4556 3770.979       
190.3952 3515.786       143.2239 133.9541 3.385487 129.3710 2.636936 4.583023 
4.291265 
1 1 1 0   12  19 o 116.9035 2.038810  2873.011       99.90023 2846.301       
145.1507 2897.051       137.7038 116.3835 2.970634 117.4235 2.793264 -1.040009 
4.077621 
1 1 1 0   12  20 o 74.72308 2.336459  1176.621       72.97182 1043.974       
102.7873 1311.408       103.6131 70.46115 3.474648 78.98502 3.124576 -8.523872 
4.672917 
1 1 1 0   12  21 o 66.52441 2.433549  926.3555       67.61983 973.8223       
101.8413 888.9297       90.43021 68.03611 3.565378 65.01270 3.313114 3.023407 
4.867098 
1 1 1 0   12  22 o 131.5475 2.295481  3610.286       123.3652 3769.704       
200.8588 3513.722       156.3248 133.8292 3.574878 129.2658 2.880484 4.563400 
4.590962 
1 1 1 0   12  23 o 132.8216 2.149227  3722.723       118.7697 3625.515       
179.1687 3798.923       158.6317 131.2484 3.251541 134.3947 2.811440 -3.146332 
4.298455 
1 1 1 0   12  24 o 219.6909 2.828739  10183.40       245.6375 10153.08       
426.1235 10198.49       300.6084 219.2838 4.628605 220.0981 3.253164 
-0.8143005     5.657478 
1 1 1 0   12  25 o 128.4822 1.906800  3490.821       100.4347 3382.646       
159.0316 3562.590       129.5356 126.7888 2.987606 130.1755 2.370178 -3.386665 
3.813599 
1 1 1 0   12  26 o 97.88434 2.148986  2020.131       88.14092 1898.287       
125.6787 2138.066       123.6463 94.96497 3.152241 100.8037 2.921633 -5.838737 
4.297972 
1 1 1 0   12  27 f 123.2361 2.373568  3189.052       121.3486 3264.107       
187.5328 3134.988       159.1617 124.4487 3.589284 122.0235 3.106822 2.425255 
4.747136 
1 1 1 0   12  28 o 129.6007 2.119813  3541.878       115.2204 3428.443       
164.9562 3649.949       161.0080 127.5596 3.080181 131.6417 2.913231 -4.082077 
4.239626 
1 1 1 0   12  29 o 46.61064 3.190602  460.6536       62.37139 489.2213       
88.96211 433.0363       87.46975 48.04220 4.410656 45.17907 4.611494 2.863129 
6.381204 
1 1 1 0   12  30 o 58.42870 2.690271  719.6494       65.46851 601.6064       
89.53338 855.2885       95.97482 53.27556 4.002930 63.58184 3.595384 -10.30628 
5.380542 
1 1 1 0   12  31 o 76.05018 2.379610  1224.020       75.96107 1239.189       
108.7924 1209.589       106.1083 76.50569 3.387084 75.59467 3.343329 0.9110260 
4.759221 
1 1 1 0   12  32 o 108.3799 2.968347  2425.856       120.5728 2689.380       
235.1808 2331.894       140.4329 111.8668 5.007510 104.8931 3.188916 6.973679 
5.936694 
1 1 1 0   12  33 o 54.22706 3.493746  634.4697       71.97891 637.1232       
133.8590 633.3903       85.37185 53.97626 5.906983 54.47785 3.732637 
-0.5015907     6.987491 
1 1 1 0   12  34 o 19.70456 5.553769  57.80763       67.81487 39.74913       
113.1186 67.93924       84.72909 19.83620 8.242972 19.57290 7.445188 0.2632999 
11.10754 
1 1 1 0   12  35 f 87.98671 3.115021  1662.826       105.7899 1729.935       
193.1182 1634.054       126.4507 88.66986 5.187621 87.30356 3.449931 1.366302 
6.230043 
1 1 1 0   12  36 o 59.19722 3.765213  745.0785       86.23576 873.8354       
160.6727 692.9804       102.2038 62.04975 6.167697 56.34468 4.320513 5.705067 
7.530427 
1 1 1 0   12  37 o 29.88344 6.190150  216.4577       91.02443 92.77205       
122.7044 367.8096       135.7357 21.94701 8.787425 37.81987 8.720838 -15.87287 
12.38030 
1 1 1 0   12  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   12  39 o 24.08405 6.304001  159.1154       85.26464 121.2542       
116.1023 203.4416       125.6246 21.89777 8.619601 26.27034 9.201314 -4.372576 
12.60800 
1 1 1 0   13  0  o 133.3525 1.769906  3741.826       98.88079 3506.746       
141.0528 3968.982       138.6551 129.2240 2.599918 137.4811 2.402228 -8.257095 
3.539813 
1 1 1 0   13  1  o 317.9658 3.300170  21302.19       383.9608 21141.33       
758.9682 21357.52       445.1240 317.0605 5.701676 318.8710 3.324965 -1.810516 
6.600341 
1 1 1 0   13  2  o 407.6561 3.136505  34879.43       518.3272 35091.28       
853.4068 34755.60       652.4559 408.5779 4.975105 406.7343 3.820863 1.843628 
6.273010 
1 1 1 0   13  3  o 707.8132 5.200168  104601.8       1456.144 102893.8       
1775.706 108108.3       2544.323 699.4081 6.047300 716.2184 8.461511 -16.81024 
10.40034 
1 1 1 0   13  4  o 376.8892 4.015029  29973.48       607.1176 30223.93       
756.2994 29519.62       1018.109 379.2112 4.750439 374.5673 6.474193 4.643921 
8.030059 
1 1 1 0   13  5  o 165.7435 1.970328  5768.711       137.0927 5659.836       
193.0885 5879.386       194.6779 164.1662 2.801521 167.3207 2.771328 -3.154556 
3.940657 
1 1 1 0   13  6  o 154.0071 1.750260  4968.588       110.2856 4927.878       
140.6811 5033.500       177.6404 153.1963 2.187301 154.8179 2.733013 -1.621613 
3.500520 
1 1 1 0   13  7  o 72.91573 1.696972  1116.405       51.94571 1133.027       
73.64543 1099.946       73.28056 73.45598 2.388030 72.37547 2.411674 1.080513 
3.393944 
1 1 1 0   13  8  o 175.0376 1.877562  6421.765       137.6322 6270.592       
187.2113 6599.569       203.0326 172.8021 2.580502 177.2732 2.727997 -4.471100 
3.755124 
1 1 1 0   13  9  o 372.3977 4.527729  28928.40       689.1337 28122.69       
873.6570 30255.29       1121.162 365.6841 5.690573 379.1114 7.044054 -13.42728 
9.055458 
1 1 1 0   13  10 o 358.4953 2.285005  26666.40       327.8748 25941.36       
403.8222 28069.01       561.6632 351.4619 2.736737 365.5287 3.659953 -14.06686 
4.570010 
1 1 1 0   13  11 o 116.6979 1.843776  2859.261       90.32372 2813.627       
126.6245 2906.535       128.8794 115.7502 2.605657 117.6456 2.609328 -1.895485 
3.687552 
1 1 1 0   13  12 o 347.5685 4.060393  25070.83       470.1057 25970.40       
1071.541 24856.42       523.1395 351.1671 7.268017 343.9699 3.622581 7.197144 
8.120787 
1 1 1 0   13  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   13  14 o 294.8810 2.808345  17881.89       316.8065 19218.80       
594.2721 17351.10       374.4527 302.3549 4.681548 287.4071 3.103276 14.94772 
5.616691 
1 1 1 0   13  15 o 260.0615 3.792546  14222.44       408.4769 14256.32       
632.1008 14198.15       535.2509 260.2825 5.784454 259.8405 4.906498 0.4420166 
7.585093 
1 1 1 0   13  16 o 377.9440 3.654954  30002.08       577.5839 29532.86       
779.5700 30573.11       859.9929 374.7067 4.955469 381.1814 5.373833 -6.474762 
7.309908 
1 1 1 0   13  17 o 173.9678 1.916496  6310.949       135.3814 6538.026       
223.5493 6179.435       170.1264 176.4067 3.018417 171.5289 2.362411 4.877792 
3.832993 
1 1 1 0   13  18 o 188.3041 2.909049  7453.931       228.9281 7488.152       
340.7874 7425.789       309.0421 188.6817 4.302043 187.9264 3.916975 0.7553101 
5.818099 
1 1 1 0   13  19 o 161.4492 2.618126  5467.473       170.4095 5530.438       
284.6003 5432.282       212.7664 162.1332 4.181042 160.7651 3.152335 1.368088 
5.236251 
1 1 1 0   13  20 o 65.07048 2.122306  893.8461       57.70892 838.1537       
84.06119 943.4918       79.36649 63.13999 3.171115 67.00097 2.821481 -3.860977 
4.244612 
1 1 1 0   13  21 o 36.78398 3.206565  281.0610       49.00119 345.7652       
73.89410 230.2761       65.46525 40.51480 4.344274 33.05316 4.717577 7.461643 
6.413130 
1 1 1 0   13  22 o 195.0497 2.969517  8044.026       240.6884 7819.728       
364.7098 8217.087       320.3565 192.5748 4.510960 197.5247 3.863076 -4.949844 
5.939034 
1 1 1 0   13  23 o 88.80064 2.240454  1652.089       82.86534 1717.010       
126.3794 1603.129       109.7507 90.31190 3.333131 87.28940 2.994792 3.022499 
4.480909 
1 1 1 0   13  24 o 113.3304 2.357496  2709.743       111.9316 2592.090       
161.2990 2819.023       155.4530 110.9392 3.463120 115.7215 3.199678 -4.782242 
4.714992 
1 1 1 0   13  25 o 104.3102 2.227190  2288.512       97.38009 2317.915       
142.1766 2262.530       133.6510 104.9339 3.227254 103.6864 3.070233 1.247482 
4.454380 
1 1 1 0   13  26 o 131.2135 2.087178  3630.335       112.4582 3586.915       
178.1564 3659.096       144.9964 130.5261 3.251062 131.9009 2.618366 -1.374863 
4.174356 
1 1 1 0   13  27 o 122.7246 2.083082  3168.996       105.7607 3178.748       
164.3076 3162.096       138.1953 122.8570 3.185508 122.5922 2.685043 0.2647934 
4.166163 
1 1 1 0   13  28 o 14.61996 4.539516  -17.68712      53.20035 -15.36263      
79.96412 -19.53307      71.25935 15.17377 6.631363 14.06614 6.201117 1.107627 
9.079032 
1 1 1 0   13  29 o 98.28172 2.010634  2040.051       82.78408 1954.020       
119.3938 2119.707       114.8851 96.26618 2.954127 100.2972 2.728322 -4.031067 
4.021269 
1 1 1 0   13  30 f 66.60637 2.669985  939.4942       74.65979 929.4180       
105.5268 949.5926       105.6430 66.24596 3.794238 66.96678 3.757531 
-0.7208176     5.339970 
1 1 1 0   13  31 o 34.93015 4.172291  268.0935       59.39064 235.3103       
84.55860 300.0111       83.43478 32.45380 6.434788 37.40648 5.312774 -4.952679 
8.344583 
1 1 1 0   13  32 o 196.5814 4.611871  8090.795       302.1451 9045.559       
695.1378 7868.400       335.4943 201.1462 8.231522 192.0166 4.161667 9.129578 
9.223742 
1 1 1 0   13  33 o 36.93372 5.183984  309.2254       71.96526 312.1025       
133.5735 308.0486       85.42342 36.21718 8.848140 37.65026 5.404182 -1.433086 
10.36797 
1 1 1 0   13  34 o 41.87777 4.447329  352.7839       70.64357 653.1122       
121.1989 198.2480       86.93916 54.65844 5.281564 29.09710 7.156816 25.56133 
8.894658 
1 1 1 0   13  35 o 50.16093 3.923108  521.9254       78.66147 678.2950       
139.5669 449.1292       95.22718 55.07429 6.036074 45.24756 5.012875 9.826733 
7.846216 
1 1 1 0   13  36 o 32.05816 5.891284  242.9670       75.92439 300.9636       
135.2040 216.2547       91.75819 34.24299 9.204711 29.87333 7.355419 4.369659 
11.78257 
1 1 1 0   13  37 o 124.2249 3.715800  3434.094       178.7384 3544.604       
322.4586 3385.081       214.7477 124.0880 6.189638 124.3618 4.113036 
-0.2738419     7.431601 
1 1 1 0   13  38 o 20.29171 5.744977  37.85350       74.92052 178.1853       
130.3805 -31.32757      91.54363 25.91031 9.343641 14.67311 6.686960 11.23720 
11.48995 
1 1 1 0   13  39 o 17.45059 7.730233  19.77317       112.5520 0.000000       
0.000000 19.77317       112.5520 ?        ?        17.45059 7.730233 ? ? 
1 1 1 0   14  0  o 153.4300 2.085154  4803.516       130.1308 4417.527       
162.1985 5500.775       217.9999 145.0339 2.663781 161.8261 3.208698 -16.79227 
4.170308 
1 1 1 0   14  1  o 470.0700 3.998272  45954.39       745.7522 44921.89       
910.8217 48054.30       1298.940 462.2906 4.692879 477.8494 6.474690 -15.55875 
7.996545 
1 1 1 0   14  2  o 121.8625 1.720985  3102.746       87.82706 2868.900       
119.3991 3378.447       129.6450 116.8845 2.433129 126.8404 2.434552 -9.955917 
3.441970 
1 1 1 0   14  3  o 223.2195 2.726673  10479.35       255.2667 10894.80       
358.2714 10050.98       363.7953 227.7230 3.747368 218.7160 3.961846 9.007004 
5.453347 
1 1 1 0   14  4  o 136.0111 1.384684  3876.992       78.99547 3685.897       
109.1030 4087.561       114.5272 132.4948 1.961368 139.5274 1.955106 -7.032654 
2.769368 
1 1 1 0   14  5  o 423.6477 2.971359  37675.97       526.7972 37255.77       
715.0309 38174.84       779.0920 421.0826 4.044629 426.2128 4.353949 -5.130280 
5.942717 
1 1 1 0   14  6  o 95.93831 1.838492  1916.462       73.53517 1803.057       
97.34270 2067.200       112.2272 92.66199 2.502205 99.21463 2.694286 -6.552635 
3.676983 
1 1 1 0   14  7  o 288.8457 2.901065  17578.69       349.3948 17096.97       
521.7676 17970.30       470.4458 285.2303 4.357149 292.4611 3.831445 -7.230713 
5.802131 
1 1 1 0   14  8  o 237.4341 2.968236  11854.02       295.0204 11742.27       
433.0219 11950.83       403.0340 236.3792 4.363366 238.4891 4.025264 -2.109863 
5.936473 
1 1 1 0   14  9  o 89.18351 1.713371  1655.896       63.85283 1522.804       
85.42354 1824.417       96.12357 85.15765 2.389323 93.20937 2.456357 -8.051712 
3.426741 
1 1 1 0   14  10 o 149.9114 1.483492  4680.074       91.67467 4524.124       
117.9867 4917.655       145.6284 146.7893 1.914520 153.0335 2.266630 -6.244263 
2.966984 
1 1 1 0   14  11 o 228.9014 2.346117  10953.78       224.1185 10554.48       
298.7469 11467.77       338.9487 224.1595 3.174441 233.6432 3.455429 -9.483673 
4.692235 
1 1 1 0   14  12 o 331.7708 3.743528  23299.85       495.7617 22652.08       
837.7097 23649.00       615.0276 328.1025 6.081420 335.4391 4.367190 -7.336517 
7.487057 
1 1 1 0   14  13 o 312.1212 6.295115  20566.03       803.5134 20538.32       
1290.932 20583.56       1026.623 311.7582 9.862947 312.4842 7.825353 
-0.7260132     12.59023 
1 1 1 0   14  14 o 346.6063 5.358411  25010.71       695.1403 26021.43       
1341.298 24639.55       812.8169 351.0117 9.101747 342.2009 5.657605 8.810852 
10.71682 
1 1 1 0   14  15 o 339.8847 4.356587  23349.94       491.5560 25939.59       
1144.162 22763.76       544.3531 350.6713 7.771564 329.0981 3.939820 21.57318 
8.713174 
1 1 1 0   14  16 o 209.5037 2.273526  9208.838       199.6596 8997.523       
273.5594 9449.721       292.0715 206.9395 3.148686 212.0678 3.280466 -5.128342 
4.547051 
1 1 1 0   14  17 o 181.8898 2.264225  6921.475       169.0537 7096.573       
270.5582 6809.331       216.5249 183.7495 3.507161 180.0301 2.864732 3.719391 
4.528450 
1 1 1 0   14  18 o 76.46297 1.913737  1214.020       60.94447 1022.020       
81.79272 1453.661       91.37885 69.74361 2.793388 83.18231 2.616590 -13.43870 
3.827475 
1 1 1 0   14  19 o 118.1197 1.868621  2920.424       91.48829 3000.996       
141.9736 2863.205       119.6417 119.4991 2.829854 116.7402 2.441086 2.758904 
3.737242 
1 1 1 0   14  20 o 188.4315 3.159316  7396.034       243.1957 7827.986       
397.1414 7136.872       307.6190 192.7201 4.908391 184.1429 3.979047 8.577194 
6.318633 
1 1 1 0   14  21 o 61.14637 2.343188  780.2036       59.36371 824.6816       
92.77593 749.3688       77.24716 62.60107 3.529999 59.69168 3.082406 2.909386 
4.686376 
1 1 1 0   14  22 o 167.9908 2.805207  5949.817       197.6264 5619.023       
279.1817 6282.057       279.7910 163.2910 4.072356 172.6906 3.859101 -9.399582 
5.610414 
1 1 1 0   14  23 o 76.39476 2.348124  1236.122       74.85474 1121.992       
108.3838 1340.211       103.5058 72.98777 3.537003 79.80174 3.089393 -6.813972 
4.696248 
1 1 1 0   14  24 o 83.52913 2.289977  1445.478       79.40132 1622.601       
124.1141 1322.762       103.3081 87.78210 3.367722 79.27615 3.103937 8.505959 
4.579954 
1 1 1 0   14  25 o 241.1169 4.025201  12339.21       405.3335 12007.61       
600.2043 12617.25       549.5902 238.0134 6.006462 244.2203 5.360166 -6.206909 
8.050402 
1 1 1 0   14  26 o 117.7044 2.476133  2925.462       121.6047 2850.846       
181.0855 2986.747       164.1144 116.3092 3.708433 119.0995 3.282144 -2.790283 
4.952267 
1 1 1 0   14  27 o 66.46491 2.672017  928.1880       73.85429 957.1268       
113.2240 906.7568       97.43642 67.34369 4.004632 65.58614 3.538591 1.757553 
5.344035 
1 1 1 0   14  28 o 31.17585 4.886280  212.3189       62.30740 265.4000       
93.82121 170.4361       83.33913 34.67609 6.683043 27.67561 7.130207 7.000473 
9.772559 
1 1 1 0   14  29 o 94.53318 2.435863  1896.072       96.07034 1658.052       
136.1657 2131.993       135.5642 88.56111 3.662230 100.5052 3.212754 -11.94414 
4.871727 
1 1 1 0   14  30 o 86.49281 2.131445  1573.415       76.95877 1633.437       
116.0426 1526.289       102.8246 87.93824 3.143119 85.04739 2.879764 2.890854 
4.262891 
1 1 1 0   14  31 o 31.46018 4.935791  241.0711       62.03844 152.8014       
107.8068 284.7744       75.85737 26.43427 8.539591 36.48609 4.952124 -10.05182 
9.871583 
1 1 1 0   14  32 o 146.9753 2.969338  4346.618       131.9610 5011.545       
347.4082 4234.505       142.6528 152.3212 5.432513 141.6294 2.399098 10.69177 
5.938676 
1 1 1 0   14  33 o 129.0554 3.446962  3479.034       161.1854 3839.980       
330.2017 3366.123       184.6838 132.4193 5.939489 125.6915 3.499806 6.727798 
6.893923 
1 1 1 0   14  34 o 70.62289 3.149098  1067.479       86.08070 1106.156       
156.3168 1050.645       103.1258 71.14281 5.233543 70.10299 3.503900 1.039818 
6.298197 
1 1 1 0   14  35 o 51.78717 3.801488  578.1042       77.61788 634.9422       
137.8264 551.7063       93.92856 53.19797 6.171043 50.37637 4.441113 2.821598 
7.602977 
1 1 1 0   14  36 o 48.47177 4.101801  515.9828       77.71713 565.1534       
139.8960 494.0341       93.46696 49.53922 6.726315 47.40432 4.696359 2.134895 
8.203603 
1 1 1 0   14  37 o 69.37012 3.421250  1042.293       95.04025 1164.204       
164.0450 980.6998       116.6030 71.83195 5.439593 66.90830 4.150980 4.923645 
6.842500 
1 1 1 0   14  38 f 38.13091 5.482666  378.0407       80.75415 328.0808       
139.8197 403.0478       98.92115 34.42893 9.408227 41.83288 5.632387 -7.403950 
10.96533 
1 1 1 0   14  39 o 19.33755 5.466681  70.76038       74.72166 -46.83340      
126.4952 133.7843       92.60500 16.18918 7.560697 22.48591 7.897739 -6.296726 
10.93336 
1 1 1 0   15  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   15  1  o 121.0884 2.070344  3070.170       103.9093 3138.073       
161.0798 3021.775       135.9864 122.2264 3.139041 119.9503 2.700320 2.276070 
4.140689 
1 1 1 0   15  2  o 205.2961 2.493233  8759.334       197.7077 8615.942       
236.0710 9096.143       361.8043 202.5439 2.776161 208.0483 4.142195 -5.504456 
4.986467 
1 1 1 0   15  3  o 170.1097 2.172797  6102.740       153.9890 5859.717       
229.9264 6300.407       207.3638 167.0193 3.279015 173.2002 2.851711 -6.180939 
4.345594 
1 1 1 0   15  4  o 407.1915 4.828114  34936.73       819.9841 35176.40       
1100.642 34637.77       1229.253 408.8320 6.412425 405.5511 7.219662 3.280975 
9.656227 
1 1 1 0   15  5  o 152.0090 1.685299  4850.274       107.4915 4798.124       
149.1615 4906.617       155.0408 151.1600 2.350396 152.8580 2.415900 -1.697968 
3.370598 
1 1 1 0   15  6  o 223.6359 1.946356  10261.58       174.7670 9720.788       
214.9381 11316.70       300.2257 215.1544 2.379492 232.1175 3.080783 -16.96310 
3.892712 
1 1 1 0   15  7  o 326.9464 3.354744  22247.30       418.2509 23002.78       
781.7785 21944.35       495.0579 330.7032 5.630751 323.1896 3.648544 7.513611 
6.709488 
1 1 1 0   15  8  o 387.1567 3.290387  31222.47       473.2921 30901.45       
551.5233 32119.40       921.8924 383.5353 3.425150 390.7780 5.619158 -7.242645 
6.580774 
1 1 1 0   15  9  o 301.1933 2.317192  19082.21       292.5647 18444.45       
420.9981 19677.86       406.8618 296.3128 3.384160 306.0738 3.166225 -9.761017 
4.634385 
1 1 1 0   15  10 f 115.0597 1.639945  2726.615       77.74666 3050.436       
124.9725 2522.161       99.30223 120.5230 2.469820 109.5963 2.158162 10.92673 
3.279889 
1 1 1 0   15  11 o 211.4464 3.289867  9344.114       262.9198 9525.301       
497.0709 9273.731       309.8056 212.7949 5.563886 210.0980 3.512275 2.696899 
6.579734 
1 1 1 0   15  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   15  13 o 176.6821 2.820799  6389.580       193.5167 7008.109       
355.1460 6128.380       230.7878 182.5678 4.633443 170.7963 3.218513 11.77145 
5.641597 
1 1 1 0   15  14 o 215.1576 3.657579  9583.784       301.3501 10116.91       
561.9365 9368.572       357.0304 219.1981 6.106208 211.1172 4.028122 8.080902 
7.315158 
1 1 1 0   15  15 o 225.4910 3.505674  10573.28       315.6225 11094.04       
543.0792 10307.68       387.8471 229.5623 5.634865 221.4196 4.172205 8.142776 
7.011348 
1 1 1 0   15  16 o 205.1717 2.603536  8499.096       176.4050 9422.138       
413.3864 8293.586       195.0567 211.6301 4.652645 198.7134 2.338055 12.91666 
5.207073 
1 1 1 0   15  17 o 197.3026 3.484278  8116.874       271.0501 8419.513       
477.1866 7972.719       329.3373 199.9011 5.685833 194.7040 4.028906 5.197174 
6.968556 
1 1 1 0   15  18 o 210.4853 3.074793  9350.336       267.9920 9157.073       
412.4343 9491.562       352.5648 208.5517 4.710448 212.4189 3.953364 -3.867264 
6.149586 
1 1 1 0   15  19 o 217.0416 2.661335  9809.980       220.7152 10152.75       
411.1667 9671.229       261.6014 219.5813 4.460090 214.5019 2.904893 5.079453 
5.322669 
1 1 1 0   15  20 o 273.1749 2.492457  15624.44       272.6312 15953.52       
463.3019 15450.13       337.1930 275.2733 4.008861 271.0765 2.962837 4.196808 
4.984914 
1 1 1 0   15  21 f 151.5475 2.513597  4838.503       158.6323 4800.484       
239.5953 4868.177       211.6707 150.9900 3.779647 152.1049 3.314656 -1.114929 
5.027194 
1 1 1 0   15  22 o 57.69727 2.350478  692.2155       56.58175 785.4249       
85.93487 620.8820       75.17717 61.08301 3.350966 54.31153 3.296970 6.771481 
4.700955 
1 1 1 0   15  23 o 129.2324 2.485389  3501.873       133.0944 3613.578       
206.9287 3423.055       173.8191 130.9504 3.763873 127.5143 3.246830 3.436058 
4.970779 
1 1 1 0   15  24 o 121.0247 2.411307  3060.139       122.0347 2789.655       
164.2045 3393.854       182.3907 115.0991 3.398084 126.9503 3.422079 -11.85117 
4.822614 
1 1 1 0   15  25 o 74.83006 2.442861  1182.134       76.43364 1143.305       
112.2065 1215.749       104.4020 73.66839 3.627922 75.99172 3.272378 -2.323334 
4.885722 
1 1 1 0   15  26 o 66.11858 2.631384  924.4001       72.73848 882.2855       
106.3617 961.4022       99.69691 64.68485 3.916552 67.55231 3.515301 -2.867462 
5.262768 
1 1 1 0   15  27 o 45.02422 3.200919  423.4284       60.13483 482.7836       
91.17651 377.7307       80.00197 47.78154 4.545105 42.26691 4.508388 5.514633 
6.401839 
1 1 1 0   15  28 o 204.1759 2.693403  8795.735       219.7027 8847.053       
373.6361 8768.614       271.6230 204.4290 4.353389 203.9229 3.172646 0.5061340 
5.386806 
1 1 1 0   15  29 o 83.74925 2.184160  1479.002       76.63703 1351.744       
106.7952 1614.111       110.0399 80.02483 3.178689 87.47369 2.996358 -7.448860 
4.368321 
1 1 1 0   15  30 o 57.36395 2.897536  699.1650       69.24484 691.5511       
104.2815 705.1697       92.60844 57.04402 4.354300 57.68387 3.823994 
-0.6398506     5.795072 
1 1 1 0   15  31 o 120.2509 3.142674  3066.781       136.4693 3117.373       
276.0256 3050.413       157.0002 120.4238 5.459564 120.0779 3.114282 0.3458939 
6.285348 
1 1 1 0   15  32 o 44.65605 4.092678  424.2248       71.87580 457.6640       
127.9335 408.8018       86.88433 45.67588 6.671425 43.63622 4.742588 2.039658 
8.185356 
1 1 1 0   15  33 o 46.15595 4.021736  424.8765       73.20958 591.0107       
134.8098 355.3885       87.18592 51.82830 6.195488 40.48360 5.129656 11.34470 
8.043472 
1 1 1 0   15  34 o 89.04611 2.892971  1675.929       100.1123 1790.844       
181.9116 1626.005       119.9030 90.79408 4.772259 87.29814 3.271493 3.495934 
5.785942 
1 1 1 0   15  35 o 35.86224 4.976091  293.4600       70.47604 319.1544       
119.1889 279.6469       87.39004 36.32973 8.028754 35.39475 5.880904 0.9349785 
9.952182 
1 1 1 0   15  36 o 51.91509 4.039098  596.9927       82.35295 631.2700       
145.7440 580.9153       99.81509 52.40232 6.624622 51.42786 4.622946 0.9744682 
8.078197 
1 1 1 0   15  37 o 54.08730 4.058948  670.0234       86.89724 649.6724       
147.8281 680.7682       107.4148 52.71255 6.679810 55.46204 4.613065 -2.749481 
8.117895 
1 1 1 0   15  38 o 36.06412 5.447547  309.6970       75.34752 398.1269       
136.3157 270.7934       90.41501 38.86213 8.584403 33.26610 6.709031 5.596027 
10.89509 
1 1 1 0   15  39 o 29.11800 5.516016  248.5670       70.59026 164.9091       
127.5891 285.4708       84.74149 24.19289 9.155590 34.04311 6.154748 -9.850222 
11.03203 
1 1 1 0   16  0  o 137.5850 2.109254  4003.493       121.0109 3624.664       
175.7863 4344.722       166.8348 131.3496 3.187699 143.8205 2.763038 -12.47090 
4.218508 
1 1 1 0   16  1  o 90.54916 2.540495  1722.004       96.57880 0.000000       
0.000000 1722.004       96.57880 ?        ?        90.54916 2.540495 ? ? 
1 1 1 0   16  2  o 353.2195 7.265241  26292.00       1077.392 26292.00       
1077.392 0.000000       0.000000 353.2195 7.265241 ?        ?        ? ? 
1 1 1 0   16  3  o 134.0294 2.182425  3695.840       117.3345 3523.471       
144.3064 4032.115       201.5591 129.5246 2.653715 138.5342 3.465505 -9.009537 
4.364851 
1 1 1 0   16  4  o 292.7546 2.912456  18169.79       334.4363 17566.21       
584.4364 18463.66       407.8053 289.0448 4.816074 296.4644 3.276433 -7.419647 
5.824911 
1 1 1 0   16  5  o 348.7757 3.838753  25663.33       557.0124 24989.83       
840.4701 26190.84       743.8233 344.6320 5.808818 352.9194 5.020134 -8.287384 
7.677507 
1 1 1 0   16  6  o 70.37985 1.788803  1040.115       52.83801 1077.496       
75.18983 1003.647       74.26718 71.62932 2.500284 69.13039 2.558875 2.498932 
3.577605 
1 1 1 0   16  7  o 127.8231 2.251034  3316.810       106.7321 3678.937       
212.1083 3194.029       123.5079 132.3185 3.818197 123.3277 2.385368 8.990791 
4.502067 
1 1 1 0   16  8  o 108.9835 1.739072  2489.991       79.14830 2535.180       
118.6751 2453.788       106.2225 109.8704 2.572764 108.0965 2.340592 1.773834 
3.478144 
1 1 1 0   16  9  o 292.0175 2.814870  17823.98       343.1454 17072.31       
457.6320 18789.40       518.6345 285.0351 3.824188 299.0000 4.131534 -13.96490 
5.629741 
1 1 1 0   16  10 o 323.2243 3.299647  21948.20       443.9632 21833.06       
589.8965 22098.61       674.2402 322.2799 4.359771 324.1688 4.954098 -1.888855 
6.599295 
1 1 1 0   16  11 f 195.2273 2.731212  7830.321       190.8580 8354.549       
396.7512 7672.483       217.7025 199.3275 4.741022 191.1271 2.713077 8.200378 
5.462424 
1 1 1 0   16  12 o 416.2637 8.824838  37313.34       1458.860 35274.32       
2469.149 38406.87       1808.223 406.5292 14.46694 425.9983 10.11033 -19.46902 
17.64968 
1 1 1 0   16  13 o 218.5612 2.673155  9992.417       232.5483 10188.36       
400.1085 9892.458       285.7731 220.1299 4.329320 216.9924 3.136880 3.137512 
5.346310 
1 1 1 0   16  14 o 134.8570 2.372243  3812.611       128.7779 3853.371       
215.7850 3790.065       160.4911 135.3957 3.796099 134.3183 2.846012 1.077393 
4.744486 
1 1 1 0   16  15 o 334.4862 4.434765  23091.49       555.6203 24666.83       
1077.493 22520.87       648.4882 341.8042 7.508588 327.1682 4.721196 14.63596 
8.869531 
1 1 1 0   16  16 f 206.6869 2.500272  8910.941       188.4318 9120.911       
377.3114 8841.174       217.4963 208.2238 4.316091 205.1500 2.525234 3.073868 
5.000544 
1 1 1 0   16  17 o 225.8003 4.018385  10683.84       359.7208 10943.14       
624.4597 10555.06       440.0719 227.6856 6.532656 223.9150 4.681247 3.770645 
8.036770 
1 1 1 0   16  18 o 192.6579 3.310868  7825.705       254.1036 7790.395       
433.7656 7844.152       313.5341 192.2259 5.374825 193.0899 3.867642 
-0.8639984     6.621737 
1 1 1 0   16  19 o 98.04770 2.144587  2033.406       87.43665 1922.329       
130.9892 2122.674       117.4276 95.60564 3.263422 100.4898 2.783360 -4.884125 
4.289174 
1 1 1 0   16  20 o 154.1642 2.387663  4946.327       146.6239 5171.232       
253.3288 4833.030       179.8014 156.7171 3.850252 151.6114 2.824765 5.105698 
4.775326 
1 1 1 0   16  21 o 151.7648 2.091180  4665.317       119.1699 5247.281       
232.9061 4458.924       138.7011 157.8741 3.513914 145.6556 2.268161 12.21851 
4.182361 
1 1 1 0   16  22 o 65.03391 2.215868  887.0740       60.05120 914.4239       
91.23094 866.1648       79.76894 65.90638 3.297128 64.16143 2.961290 1.744949 
4.431736 
1 1 1 0   16  23 o 36.07160 3.478434  275.0860       52.47469 273.4425       
77.56401 276.4732       71.25730 35.96138 5.137419 36.18182 4.690941 
-0.2204437     6.956868 
1 1 1 0   16  24 o 227.1205 2.805582  10755.47       238.4350 11136.97       
459.7266 10615.08       278.8748 229.6324 4.768563 224.6086 2.957359 5.023834 
5.611165 
1 1 1 0   16  25 o 71.48772 2.288804  1068.976       68.34630 1142.372       
103.0950 1011.425       91.29051 73.65661 3.333856 69.31884 3.136862 4.337769 
4.577609 
1 1 1 0   16  26 o 117.4682 2.174315  2911.423       106.7584 2831.462       
157.3419 2979.641       145.3308 115.9523 3.232108 118.9841 2.909307 -3.031792 
4.348631 
1 1 1 0   16  27 o 157.8955 2.716051  5259.082       179.9103 4977.433       
251.0450 5556.458       257.9591 153.5403 3.894488 162.2508 3.786911 -8.710526 
5.432102 
1 1 1 0   16  28 o 119.9819 2.638007  3040.475       131.0908 3050.677       
202.8304 3033.156       171.7923 120.0904 4.022962 119.8733 3.413519 0.2170639 
5.276015 
1 1 1 0   16  29 o 75.62679 2.510020  1211.311       79.55415 1150.164       
113.8187 1269.718       111.2388 73.73789 3.676579 77.51567 3.418124 -3.777779 
5.020040 
1 1 1 0   16  30 o 95.49258 2.176286  1938.222       86.67159 1791.936       
126.9300 2066.010       118.6343 92.05377 3.284308 98.93140 2.856257 -6.877625 
4.352572 
1 1 1 0   16  31 o 113.6550 2.379549  2760.100       111.8552 2591.217       
170.5840 2887.485       148.1515 110.4753 3.677851 116.8347 3.020336 -6.359390 
4.759099 
1 1 1 0   16  32 o 71.19283 3.034962  1074.575       81.42538 1107.643       
154.6889 1061.902       95.76657 71.64805 5.142519 70.73759 3.224666 0.9104538 
6.069924 
1 1 1 0   16  33 o 55.53962 3.565207  689.6677       77.13835 607.6550       
132.2786 731.9286       94.95537 52.59430 5.990624 58.48495 3.867198 -5.890656 
7.130414 
1 1 1 0   16  34 o 64.43169 3.382883  833.7716       85.17896 1099.073       
159.1236 727.2176       100.8439 70.78069 5.354769 58.08270 4.135461 12.69800 
6.765766 
1 1 1 0   16  35 o 20.57598 5.791053  69.32496       70.13187 68.70904       
130.6074 69.57449       83.13371 21.76940 8.931213 19.38256 7.374184 2.386833 
11.58211 
1 1 1 0   16  36 o 40.78780 4.142017  355.4350       68.12336 451.5165       
117.9881 307.3881       83.43549 44.46310 6.320620 37.11251 5.354902 7.350586 
8.284034 
1 1 1 0   16  37 o 55.58653 3.936768  628.5905       86.34157 938.5172       
159.0666 499.1333       102.8046 64.02794 5.917396 47.14512 5.193939 16.88282 
7.873536 
1 1 1 0   16  38 o 55.37801 3.995973  681.5433       88.28757 798.9312       
154.7174 624.8613       107.5102 58.12318 6.340315 52.63284 4.865346 5.490341 
7.991946 
1 1 1 0   16  39 o 46.63855 4.224564  484.0129       75.76553 629.7238       
144.7501 429.0280       88.91905 50.14285 6.875922 43.13426 4.910137 7.008591 
8.449127 
1 1 1 0   17  0  f 139.7595 2.305430  4095.205       124.4745 4128.714       
226.0943 4080.631       149.1057 140.1399 3.842811 139.3792 2.548105 0.7606964 
4.610861 
1 1 1 0   17  1  o 121.8488 1.862584  3094.219       92.84552 3013.647       
117.9339 3225.563       150.5737 119.7871 2.345037 123.9105 2.894423 -4.123421 
3.725169 
1 1 1 0   17  2  o 365.2968 3.950678  28081.31       605.0975 26163.72       
846.7638 30082.39       865.0018 352.5318 5.721172 378.0617 5.449734 -25.52991 
7.901355 
1 1 1 0   17  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   17  4  f 304.0593 3.511625  19327.85       394.0923 19695.86       
773.6906 19198.92       457.9542 305.8572 6.025175 302.2613 3.608781 3.595886 
7.023249 
1 1 1 0   17  5  o 42.40932 2.296880  377.8827       40.86649 378.3099       
56.74707 377.4226       58.90097 42.43490 3.185234 42.38373 3.310124 
0.5117035E-01  4.593760 
1 1 1 0   17  6  o 181.0861 2.031532  6669.856       134.9464 6452.440       
155.3522 7338.227       272.3830 175.2916 2.110947 186.8807 3.471656 -11.58908 
4.063065 
1 1 1 0   17  7  o 295.5689 2.716636  18283.29       303.9096 18537.31       
572.5012 18183.62       358.6086 296.9186 4.592615 294.2193 2.903158 2.699280 
5.433271 
1 1 1 0   17  8  o 185.1213 2.551531  7170.237       194.6247 7360.812       
308.0564 7043.637       251.0814 187.1423 3.920842 183.1003 3.266228 4.041992 
5.103063 
1 1 1 0   17  9  o 400.5963 4.170907  33812.41       680.7404 33658.84       
1103.801 33906.68       864.7843 399.7235 6.577365 401.4690 5.130702 -1.745514 
8.341813 
1 1 1 0   17  10 o 40.28973 2.895664  334.6025       48.46648 390.0606       
75.46528 295.6693       63.23027 43.07486 4.172961 37.50459 4.015704 5.570271 
5.791328 
1 1 1 0   17  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   17  12 f 328.3060 4.868198  22586.72       642.5464 23205.24       
1083.691 22251.38       797.9381 331.5504 7.785328 325.0615 5.846887 6.488922 
9.736397 
1 1 1 0   17  13 o 197.6615 3.191939  8269.036       241.9188 8092.412       
441.8246 8344.663       289.1081 196.0620 5.367567 199.2610 3.455883 -3.198944 
6.383878 
1 1 1 0   17  14 o 66.77738 2.244504  904.5886       61.64123 1105.299       
100.2994 782.7694       78.13957 72.52046 3.294268 61.03430 3.049426 11.48616 
4.489009 
1 1 1 0   17  15 f 231.4629 2.514958  11056.92       194.4614 11606.17       
443.0588 10925.86       216.4211 234.8542 4.493494 228.0716 2.260213 6.782623 
5.029915 
1 1 1 0   17  16 o 30.03688 4.281581  191.5499       51.44696 231.9060       
81.78105 165.1196       66.18342 32.62289 6.195079 27.45088 5.911745 5.172003 
8.563162 
1 1 1 0   17  17 o 18.24570 4.663343  52.19726       49.78531 -12.26493      
79.08772 94.50716       64.07336 15.31138 6.642708 21.18003 6.546871 -5.868652 
9.326687 
1 1 1 0   17  18 o 85.25655 2.067312  1534.887       72.69092 1490.540       
113.1209 1566.080       94.87125 84.19040 3.200378 86.32269 2.617765 -2.132294 
4.134624 
1 1 1 0   17  19 o 49.37030 2.683728  507.0404       55.24987 566.7296       
84.34589 462.1812       73.12104 51.88221 3.872278 46.85838 3.716859 5.023827 
5.367456 
1 1 1 0   17  20 o 134.1531 1.909021  3711.818       101.9685 4009.382       
177.6189 3565.538       124.5349 138.0548 3.064493 130.2514 2.277350 7.803421 
3.818041 
1 1 1 0   17  21 o 81.89516 2.067285  1412.906       69.94978 1399.806       
108.8046 1422.134       91.32355 81.55500 3.177736 82.23533 2.645121 
-0.6803284     4.134570 
1 1 1 0   17  22 o 56.99755 2.531347  685.3373       59.94335 677.3940       
91.33244 691.3481       79.44965 56.69217 3.837276 57.30293 3.302450 
-0.6107674     5.062693 
1 1 1 0   17  23 o 129.5649 1.944435  3530.799       102.5347 3532.475       
166.9228 3529.784       129.9387 129.5571 3.068849 129.5728 2.388613 
-0.1573181E-01 3.888869 
1 1 1 0   17  24 o 136.3060 2.473372  3932.371       137.7113 3827.570       
220.4775 3999.412       176.3401 134.7552 3.897086 137.8568 3.046801 -3.101624 
4.946744 
1 1 1 0   17  25 o 99.21290 2.409257  2069.477       97.88742 2089.855       
157.1207 2056.550       125.1412 99.57555 3.758389 98.85025 3.015391 0.7252960 
4.818514 
1 1 1 0   17  26 o 53.65967 3.327992  645.2177       70.42922 425.2477       
105.0637 824.7327       94.91205 44.77539 5.589005 62.54394 3.614575 -17.76854 
6.655984 
1 1 1 0   17  27 o 25.56705 5.357446  131.5886       62.52190 202.4005       
98.95169 84.53297       80.66335 30.11123 7.775595 21.02287 7.372180 9.088362 
10.71489 
1 1 1 0   17  28 o 63.28917 2.920319  870.4282       75.35553 727.6484       
115.1212 977.4681       99.67705 58.55042 4.683241 68.02792 3.490029 -9.477505 
5.840638 
1 1 1 0   17  29 o 103.3894 2.518810  2238.291       106.7094 2363.456       
172.6830 2160.969       135.7251 105.6278 3.893968 101.1510 3.196032 4.476837 
5.037619 
1 1 1 0   17  30 o 95.57359 2.374117  1929.508       92.64391 1948.354       
149.8590 1917.850       117.8653 95.86189 3.723556 95.28528 2.946328 0.5766144 
4.748234 
1 1 1 0   17  31 o 32.89133 5.062786  235.5817       66.38593 296.1708       
109.2811 200.1454       83.57414 36.07435 7.467865 29.70832 6.837996 6.366032 
10.12557 
1 1 1 0   17  32 o 78.34988 2.773377  1330.885       87.25327 1236.638       
143.4585 1386.217       109.9221 75.90578 4.501657 80.79398 3.240611 -4.888199 
5.546754 
1 1 1 0   17  33 o 19.33705 5.630759  38.00331       68.08284 58.55635       
126.2460 29.57451       80.84675 21.54300 8.799939 17.13110 7.027295 4.411900 
11.26152 
1 1 1 0   17  34 o 67.67796 3.141139  952.3489       78.24530 1077.670       
157.4037 911.2170       90.17619 70.04130 5.352809 65.31464 3.288535 4.726662 
6.282279 
1 1 1 0   17  35 o 61.50340 3.326738  850.2749       79.16811 764.2625       
138.0608 892.4139       96.63428 58.59087 5.612566 64.41593 3.573213 -5.825066 
6.653477 
1 1 1 0   17  36 o 48.03250 3.804672  499.7049       70.42373 558.3114       
130.6772 475.7172       83.60280 49.40879 6.299652 46.65620 4.268079 2.752586 
7.609344 
1 1 1 0   17  37 o 92.80644 3.315019  1734.905       111.6980 2291.291       
236.2069 1574.652       126.7674 100.4020 5.603652 85.21086 3.543512 15.19116 
6.630037 
1 1 1 0   17  38 o 28.29918 6.195749  199.8641       77.20210 286.4524       
136.5825 159.2107       93.58675 31.81880 9.503722 24.77957 7.951636 7.039238 
12.39150 
1 1 1 0   17  39 o 25.88057 6.122043  166.1531       71.34121 273.5455       
138.1015 127.0626       83.31960 29.76636 9.669768 21.99478 7.510874 7.771582 
12.24409 
1 1 1 0   18  0  f 172.3284 2.427057  6317.953       171.6327 5860.533       
267.5108 6637.981       223.7579 166.9330 3.816982 177.7237 2.998844 -10.79071 
4.854114 
1 1 1 0   18  1  o 210.3453 2.847496  9126.560       224.2779 9701.210       
434.7929 8918.226       261.7950 214.6835 4.823974 206.0072 3.026915 8.676315 
5.694992 
1 1 1 0   18  2  o 278.9799 2.913043  16408.84       336.8599 16106.07       
516.8530 16632.43       444.1529 276.6939 4.449266 281.2657 3.761289 -4.571808 
5.826085 
1 1 1 0   18  3  o 213.4413 2.973289  9549.941       265.5807 9220.144       
359.0313 9948.459       394.6686 209.3961 4.083991 217.4866 4.322362 -8.090515 
5.946579 
1 1 1 0   18  4  o 250.5014 3.340500  13193.26       351.1675 12671.73       
490.2767 13742.71       503.2283 245.4170 4.758365 255.5858 4.689747 -10.16885 
6.681000 
1 1 1 0   18  5  o 145.1971 2.238045  4427.673       136.4287 4427.673       
136.4287 0.000000       0.000000 145.1971 2.238045 ?        ?        ? ? 
1 1 1 0   18  6  o 211.3809 3.362330  9386.133       298.1671 8945.044       
413.1387 9865.644       430.7567 206.2036 4.772223 216.5581 4.737821 -10.35452 
6.724660 
1 1 1 0   18  7  o 273.7286 3.273913  15765.46       376.1067 15523.09       
536.4456 15999.78       527.4587 271.6499 4.703673 275.8074 4.555161 -4.157440 
6.547826 
1 1 1 0   18  8  o 68.39710 1.943009  978.7567       55.62908 934.0506       
75.24073 1032.660       82.61864 66.68240 2.687589 70.11181 2.806777 -3.429413 
3.886018 
1 1 1 0   18  9  o 80.73047 1.933547  1369.695       65.20749 1363.216       
97.07513 1375.022       88.02267 80.55344 2.870417 80.90749 2.591355 
-0.3540497     3.867094 
1 1 1 0   18  10 o 245.7299 5.385288  12683.43       412.0590 12847.33       
1017.210 12651.26       450.6933 246.2000 9.841101 245.2599 4.376991 0.9401093 
10.77058 
1 1 1 0   18  11 o 35.15879 4.343481  269.6114       60.76867 285.9649       
78.53252 245.2064       95.93638 36.85939 5.074841 33.45818 7.050483 3.401215 
8.686962 
1 1 1 0   18  12 o 119.0664 2.122351  2975.835       100.5992 2988.631       
172.3908 2969.229       123.8792 119.2416 3.443558 118.8912 2.481816 0.3503342 
4.244703 
1 1 1 0   18  13 o 379.1563 4.104569  29970.51       551.7728 30911.92       
1152.888 29690.81       628.4194 382.5790 7.177728 375.7335 3.983738 6.845520 
8.209138 
1 1 1 0   18  14 o 105.0718 2.178055  2309.655       93.27339 2364.391       
152.1492 2276.698       118.0597 106.0497 3.417284 104.0938 2.701457 1.955971 
4.356111 
1 1 1 0   18  15 o 132.5396 2.230084  3594.325       114.0214 3941.000       
211.7126 3452.688       135.3237 136.8874 3.683870 128.1919 2.514401 8.695496 
4.460169 
1 1 1 0   18  16 o 138.2419 2.157384  4024.152       120.9539 3991.945       
198.2276 4043.255       152.6685 137.7741 3.427029 138.7097 2.621584 
-0.9355927     4.314768 
1 1 1 0   18  17 o 127.0593 2.285434  3401.607       120.6959 3348.505       
183.3966 3442.179       160.3042 126.1656 3.462354 127.9530 2.984115 -1.787376 
4.570868 
1 1 1 0   18  18 o 175.7116 2.306726  6219.695       143.5877 7012.846       
306.8002 5997.236       162.4811 182.4864 4.004482 168.9368 2.290866 13.54955 
4.613452 
1 1 1 0   18  19 o 155.8323 2.343679  5023.048       137.8348 5309.114       
263.4516 4915.233       161.7368 158.7540 3.952732 152.9106 2.519371 5.843307 
4.687357 
1 1 1 0   18  20 o 120.8699 2.231523  3027.370       105.3904 3202.549       
189.6363 2949.085       126.7703 123.3088 3.663097 118.4310 2.549606 4.877754 
4.463045 
1 1 1 0   18  21 o 71.16941 2.309489  1039.330       66.57179 1166.792       
112.3855 970.4310       82.62816 74.42399 3.596817 67.91483 2.897907 6.509155 
4.618979 
1 1 1 0   18  22 o 117.8053 1.978409  2938.284       96.28339 2807.891       
148.3214 3033.251       126.5792 115.5073 3.058549 120.1033 2.510316 -4.595970 
3.956818 
1 1 1 0   18  23 o 26.64792 4.681092  163.5582       53.60199 100.0764       
82.96033 209.0516       70.22961 22.34307 7.494663 30.95278 5.610749 -8.609713 
9.362184 
1 1 1 0   18  24 o 69.23012 2.664334  1015.397       75.54595 985.0911       
119.9582 1035.318       97.25497 68.33804 4.181081 70.12219 3.303524 -1.784157 
5.328668 
1 1 1 0   18  25 o 78.57306 2.531970  1314.633       82.63451 1136.140       
119.7203 1477.046       114.2007 73.39875 3.885083 83.74738 3.248019 -10.34863 
5.063941 
1 1 1 0   18  26 o 206.0920 3.174046  8892.436       253.2592 9216.254       
460.9518 8752.418       303.1078 208.4650 5.266760 203.7191 3.543940 4.745865 
6.348092 
1 1 1 0   18  27 o 131.6910 2.353817  3503.373       117.1948 4017.971       
227.3309 3317.107       136.7701 137.8681 3.927497 125.5140 2.595493 12.35406 
4.707634 
1 1 1 0   18  28 o 115.4548 2.266720  2832.523       106.4906 2735.634       
171.7956 2892.982       135.7076 113.7574 3.597107 117.1521 2.759149 -3.394638 
4.533441 
1 1 1 0   18  29 o 59.36063 2.758974  749.5317       67.26343 733.6911       
106.1837 760.1483       86.92915 58.77307 4.303288 59.94819 3.453905 -1.175121 
5.517948 
1 1 1 0   18  30 o 66.39476 2.850982  908.8398       74.09225 1014.762       
134.3203 862.5156       88.82868 68.95872 4.639524 63.83080 3.314698 5.127922 
5.701965 
1 1 1 0   18  31 o 87.93918 2.703469  1625.050       96.47561 1726.560       
160.3011 1567.401       120.8034 89.92446 4.245996 85.95390 3.347609 3.970566 
5.406937 
1 1 1 0   18  32 o 30.84728 5.254457  226.5123       66.40968 187.4948       
108.0049 250.2312       84.20964 28.40232 8.444679 33.29225 6.254972 -4.889936 
10.50891 
1 1 1 0   18  33 o 28.51761 5.732945  192.7714       69.30597 180.3569       
123.3676 198.4962       83.77534 27.80160 9.139393 29.23363 6.923739 -1.432034 
11.46589 
1 1 1 0   18  34 o 18.22432 5.281666  40.71978       61.73180 28.19615       
108.7522 46.67336       74.98286 18.90499 7.980850 17.54366 6.920262 1.361328 
10.56333 
1 1 1 0   18  35 o 18.23999 5.487202  -4.493479      69.44396 97.99776       
126.8210 -48.38443      82.99181 22.81869 9.000257 13.66129 6.279564 9.157405 
10.97440 
1 1 1 0   18  36 o 32.94151 5.677737  270.8454       73.97890 264.4048       
132.7835 273.7445       89.08620 31.80985 9.337671 34.07316 6.461785 -2.263308 
11.35547 
1 1 1 0   18  37 o 29.89262 5.961923  208.7486       73.72285 311.6790       
134.0658 164.1316       88.26651 34.18002 9.156010 25.60522 7.638427 8.574802 
11.92385 
1 1 1 0   18  38 o 19.21794 5.636681  63.75733       69.32581 45.42381       
135.8705 70.21020       80.60810 19.87683 8.665757 18.55905 7.210641 1.317781 
11.27336 
1 1 1 0   18  39 o 21.52089 5.849936  103.7666       68.96177 176.7295       
127.3448 73.49068       82.03116 24.63363 9.186376 18.40815 7.245514 6.225485 
11.69987 
1 1 1 0   19  0  o 63.97533 2.051073  875.0796       54.01651 692.7449       
77.65390 1046.016       75.18755 57.39759 3.222484 70.55307 2.538347 -13.15548 
4.102147 
1 1 1 0   19  1  o 179.2681 2.370123  6702.952       160.9403 6632.229       
189.7750 6884.097       303.7169 177.6617 2.544288 180.8744 3.999566 -3.212677 
4.740245 
1 1 1 0   19  2  o 147.5224 2.080944  4558.005       125.1831 4640.433       
203.6640 4507.956       158.7015 148.5699 3.265159 146.4748 2.580709 2.095093 
4.161889 
1 1 1 0   19  3  o 207.5143 2.408523  8862.294       192.9964 8581.653       
229.6082 9537.904       356.2536 202.0931 2.706181 212.9354 3.985037 -10.84233 
4.817047 
1 1 1 0   19  4  o 156.5844 2.464240  5092.218       153.7728 4961.672       
188.5403 5351.592       265.7570 153.6586 2.922594 159.5101 3.968420 -5.851517 
4.928479 
1 1 1 0   19  5  o 44.88700 2.410349  423.7724       45.31230 462.6057       
64.61903 386.2055       63.55672 46.91353 3.280827 42.86047 3.532040 4.053062 
4.820698 
1 1 1 0   19  6  o 111.2163 2.831803  2598.945       132.2240 0.000000       
0.000000 2598.945       132.2240 ?        ?        111.2163 2.831803 ? ? 
1 1 1 0   19  7  o 114.9174 4.025640  2777.425       194.2225 2777.425       
194.2225 0.000000       0.000000 114.9174 4.025640 ?        ?        ? ? 
1 1 1 0   19  8  o 203.0535 2.828922  8456.293       209.6053 8246.090       
241.0703 9107.549       424.3268 198.1006 2.898537 208.0063 4.858980 -9.905609 
5.657845 
1 1 1 0   19  9  o 151.1307 2.224513  4845.108       139.1397 4499.089       
211.0496 5111.127       185.0503 146.2962 3.436153 155.9652 2.826072 -9.668991 
4.449026 
1 1 1 0   19  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   19  11 o 229.4509 3.204698  11012.88       293.0422 11295.17       
503.5363 10868.32       360.3518 231.5689 5.179307 227.3329 3.775597 4.235992 
6.409396 
1 1 1 0   19  12 o 205.6246 3.291271  8908.641       265.9307 8881.147       
466.7192 8921.857       323.5985 205.2838 5.415294 205.9654 3.742254 
-0.6815948     6.582543 
1 1 1 0   19  13 o 53.05200 2.545089  577.5438       55.91495 728.9225       
86.55950 469.1436       73.24831 58.87552 3.501878 47.22848 3.694151 11.64704 
5.090177 
1 1 1 0   19  14 o 47.03545 2.800519  437.2115       53.10393 664.4999       
86.91651 301.8296       67.08015 56.20405 3.683458 37.86684 4.219451 18.33721 
5.601038 
1 1 1 0   19  15 o 125.6340 2.153643  3336.423       110.0550 3245.013       
178.1297 3392.858       139.9645 124.2092 3.415886 127.0588 2.623822 -2.849518 
4.307287 
1 1 1 0   19  16 o 85.92134 2.070876  1560.109       73.31610 1509.401       
114.3065 1595.550       95.56234 84.71516 3.213888 87.12751 2.612478 -2.412346 
4.141752 
1 1 1 0   19  17 o 145.9973 2.572108  4394.532       143.1253 4706.114       
269.9106 4272.648       168.8139 149.4443 4.301913 142.5502 2.820728 6.894058 
5.144216 
1 1 1 0   19  18 o 217.9983 3.811082  9997.002       324.9902 10167.58       
577.8804 9918.098       393.0334 219.0937 6.282450 216.9028 4.316040 2.190933 
7.622164 
1 1 1 0   19  19 o 145.9424 2.505904  4451.988       146.7658 4597.494       
248.8406 4374.372       181.7419 147.6926 4.013134 144.1922 3.002163 3.500320 
5.011808 
1 1 1 0   19  20 o 78.83609 2.299253  1342.027       74.11543 1048.220       
108.7186 1597.124       101.3039 70.53648 3.671226 87.13570 2.769179 -16.59923 
4.598505 
1 1 1 0   19  21 o 107.5113 2.156709  2454.510       94.27338 2341.639       
151.9218 2525.190       120.2197 105.4468 3.431688 109.5759 2.613255 -4.129158 
4.313419 
1 1 1 0   19  22 o 73.21284 2.403461  1131.618       72.70148 1111.818       
112.8362 1145.672       95.06390 72.64285 3.699785 73.78284 3.068890 -1.139992 
4.806921 
1 1 1 0   19  23 f 88.40009 2.415942  1648.021       87.84335 1633.704       
138.5998 1657.634       113.5655 88.05001 3.749335 88.75015 3.047884 
-0.7001419     4.831884 
1 1 1 0   19  24 o 164.4094 2.207947  5518.095       134.2916 6056.090       
267.2933 5336.441       155.3173 169.5029 3.756056 159.3159 2.322104 10.18701 
4.415895 
1 1 1 0   19  25 o 50.90193 3.238757  531.0416       68.04072 644.7446       
109.1278 458.7285       87.02787 55.21312 4.707758 46.59073 4.449179 8.622391 
6.477513 
1 1 1 0   19  26 o 89.70186 2.376789  1680.812       85.74013 1752.726       
145.0011 1642.150       106.3184 91.10656 3.790903 88.29715 2.868025 2.809410 
4.753579 
1 1 1 0   19  27 o 96.18802 2.353750  1937.913       92.86207 2022.065       
149.4978 1885.045       118.4943 97.82342 3.640098 94.55263 2.985005 3.270790 
4.707501 
1 1 1 0   19  28 o 218.2889 3.899483  10099.16       328.2393 10386.40       
599.7704 9976.348       392.1837 219.7458 6.501081 216.8321 4.308113 2.913727 
7.798967 
1 1 1 0   19  29 o 97.74132 2.445475  2038.643       97.74578 1944.390       
155.0617 2100.791       125.9128 95.75388 3.857174 99.72876 3.007257 -3.974876 
4.890950 
1 1 1 0   19  30 o 23.92113 5.454116  126.5469       64.63292 63.77563       
107.2976 162.2945       80.97166 21.07394 8.289179 26.76831 7.090771 -5.694363 
10.90823 
1 1 1 0   19  31 o 66.37022 2.923913  928.7177       76.70567 977.0533       
134.6281 905.4846       93.33731 67.44881 4.754256 65.29163 3.405013 2.157181 
5.847826 
1 1 1 0   19  32 o 19.82016 5.466013  62.54541       64.57893 46.18584       
106.8306 71.96591       81.06755 19.88349 8.104056 19.75682 7.337129 0.1266689 
10.93203 
1 1 1 0   19  33 o 31.37242 4.923040  185.4876       68.59628 418.8108       
117.8251 65.85654       84.36858 43.33237 6.476589 19.41247 7.416137 23.91991 
9.846080 
1 1 1 0   19  34 f 26.13832 5.913571  157.9849       70.55637 177.2643       
121.6081 148.2017       86.62772 27.21699 9.073987 25.05964 7.585778 2.157349 
11.82714 
1 1 1 0   19  35 o 25.18563 5.620192  119.0552       64.08971 252.9681       
120.1906 65.85039       75.75903 31.70766 8.748703 18.66359 7.057367 13.04406 
11.24038 
1 1 1 0   19  36 o 50.93693 3.983131  567.2809       79.41408 640.3444       
143.5326 535.0472       95.33576 52.62918 6.495984 49.24468 4.611239 3.384499 
7.966262 
1 1 1 0   19  37 o 64.30415 2.919221  878.3815       72.79684 993.3908       
134.1864 830.4160       86.65750 66.67169 4.793889 61.93662 3.332573 4.735069 
5.838443 
1 1 1 0   19  38 o 51.35081 4.149619  628.6383       81.17080 596.6371       
145.8518 642.9972       97.69868 49.12396 7.071954 53.57766 4.343362 -4.453697 
8.299237 
1 1 1 0   19  39 o 34.27963 5.910386  318.8252       79.71130 360.9238       
143.2459 299.9420       95.93702 34.45526 9.568044 34.10401 6.941410 0.3512459 
11.82077 
1 1 1 0   20  0  f 50.65257 2.234394  523.9957       46.53275 617.1782       
75.71900 467.4475       58.98572 54.15982 3.330034 47.14532 2.980090 7.014507 
4.468788 
1 1 1 0   20  1  o 57.05503 2.178759  679.2733       50.91193 708.3346       
82.30919 661.2642       64.79410 58.02519 3.378725 56.08487 2.751761 1.940319 
4.357519 
1 1 1 0   20  2  o 10.87158 3.400761  -32.62008      33.19924 11.93441       
46.72718 -78.03783      47.17769 13.05449 5.346647 8.688675 4.204054 4.365819 
6.801522 
1 1 1 0   20  3  o 116.8950 1.998732  2830.299       92.79826 2746.834       
113.2759 3000.625       161.8174 114.3369 2.359785 119.4531 3.226630 -5.116203 
3.997465 
1 1 1 0   20  4  o 134.4614 1.894485  3786.545       106.0537 3702.273       
140.4522 3898.327       161.7600 132.7358 2.520353 136.1870 2.829155 -3.451111 
3.788970 
1 1 1 0   20  5  o 142.1809 2.384237  4188.176       131.6871 4416.019       
239.3538 4089.270       157.7001 144.8679 3.935403 139.4939 2.692760 5.373947 
4.768475 
1 1 1 0   20  6  o 337.9007 5.501423  24280.67       739.6352 23883.79       
1261.090 24488.78       913.1909 335.2908 8.958710 340.5105 6.387812 -5.219696 
11.00285 
1 1 1 0   20  7  f 95.82185 2.352517  1930.656       94.63699 1915.299       
133.9920 1945.941       133.6824 95.44083 3.343996 96.20287 3.309841 
-0.7620392     4.705035 
1 1 1 0   20  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   20  9  f 41.12666 6.580645  357.3516       113.6242 0.000000       
0.000000 357.3516       113.6242 ?        ?        41.12666 6.580645 ? ? 
1 1 1 0   20  10 o 53.82743 2.519604  609.1859       56.81704 664.7729       
81.41467 556.4106       79.32877 56.22362 3.449093 51.43124 3.673878 4.792381 
5.039209 
1 1 1 0   20  11 o 55.52513 2.444523  636.6501       56.42702 737.8105       
87.55332 564.7792       73.79796 59.22748 3.521035 51.82278 3.391913 7.404697 
4.889045 
1 1 1 0   20  12 o 70.45262 2.119363  1049.577       61.56895 1009.738       
95.61790 1077.794       80.47129 69.29328 3.286769 71.61197 2.676556 -2.318687 
4.238727 
1 1 1 0   20  13 o 286.1338 3.857133  17171.32       427.9005 17550.67       
774.4385 17004.62       513.3821 288.1138 6.402417 284.1539 4.303366 3.959900 
7.714266 
1 1 1 0   20  14 o 343.5569 4.121710  24815.63       513.3930 25172.07       
1033.604 24698.89       591.5204 344.6410 7.143455 342.4728 4.114004 2.168121 
8.243420 
1 1 1 0   20  15 o 109.5999 2.249293  2496.574       101.0433 2662.469       
163.7527 2394.573       128.4026 112.4839 3.467523 106.7159 2.865931 5.767975 
4.498586 
1 1 1 0   20  16 o 141.3656 2.210088  4154.896       122.7223 4342.579       
218.0327 4067.862       148.4752 143.6237 3.615901 139.1074 2.542288 4.516281 
4.420177 
1 1 1 0   20  17 o 180.5789 2.447362  6732.939       169.3363 7186.732       
316.2154 6550.481       200.5097 184.6629 4.078726 176.4950 2.705977 8.167877 
4.894723 
1 1 1 0   20  18 f 162.0564 2.610693  5437.234       167.1497 5811.024       
295.0753 5260.620       202.8304 165.9978 4.234008 158.1149 3.055493 7.882874 
5.221385 
1 1 1 0   20  19 o 189.4807 2.413379  7583.891       187.2627 7452.715       
298.5342 7668.988       240.4507 188.0577 3.781152 190.9037 3.000079 -2.846008 
4.826757 
1 1 1 0   20  20 o 192.2176 3.030050  7740.818       234.0373 7981.644       
395.4686 7611.013       290.3376 194.3677 4.846285 190.0675 3.638451 4.300186 
6.060099 
1 1 1 0   20  21 o 143.7307 2.806160  4293.763       162.9350 4576.661       
274.0319 4139.057       202.6470 147.2662 4.432199 140.1953 3.442927 7.070877 
5.612319 
1 1 1 0   20  22 o 142.4218 2.871961  4248.647       163.9329 4372.147       
278.4835 4183.159       202.7921 143.9035 4.609452 140.9402 3.427183 2.963287 
5.743921 
1 1 1 0   20  23 o 155.9764 2.773635  5113.942       172.7166 5180.020       
294.7342 5079.382       213.1501 156.6367 4.481858 155.3161 3.268815 1.320633 
5.547269 
1 1 1 0   20  24 o 135.6694 2.325740  3916.035       128.1241 3718.791       
206.8426 4038.832       163.2043 132.8057 3.709747 138.5332 2.806072 -5.727463 
4.651479 
1 1 1 0   20  25 o 114.3769 2.327210  2778.813       110.6546 2575.746       
164.7790 2945.603       149.3366 110.5026 3.551816 118.2513 3.008026 -7.748650 
4.654419 
1 1 1 0   20  26 o 77.00679 2.483696  1245.457       78.66858 1283.816       
125.2787 1220.484       101.0833 77.93954 3.828604 76.07405 3.164929 1.865486 
4.967392 
1 1 1 0   20  27 o 50.28307 3.458739  546.9377       70.44437 499.4714       
112.9633 577.1425       90.11226 48.37199 5.562428 52.19414 4.112285 -3.822147 
6.917477 
1 1 1 0   20  28 o 82.79991 2.730905  1430.080       92.58508 1552.876       
150.9513 1356.028       117.2236 85.53349 4.203604 80.06632 3.487276 5.467171 
5.461811 
1 1 1 0   20  29 o 70.88998 2.799130  1073.378       81.22105 1038.823       
129.0218 1096.061       104.5331 69.84272 4.400105 71.93724 3.461155 -2.094521 
5.598260 
1 1 1 0   20  30 f 66.21317 2.618486  924.4800       71.29705 967.7032       
113.9592 896.6801       91.39304 67.40018 4.027258 65.02615 3.347697 2.374023 
5.236973 
1 1 1 0   20  31 o 45.35438 3.831421  445.7744       70.31551 446.1379       
115.8221 445.5621       88.48881 45.17569 6.106715 45.53306 4.628951 
-0.3573647     7.662843 
1 1 1 0   20  32 o 73.67686 2.872279  1123.656       85.18884 1307.809       
146.7097 1029.982       104.6361 77.89758 4.485964 69.45615 3.588324 8.441429 
5.744558 
1 1 1 0   20  33 o 40.63997 4.191531  360.1464       69.76517 392.5765       
113.5461 340.4788       88.42474 41.88670 6.456794 39.39323 5.346546 2.493473 
8.383062 
1 1 1 0   20  34 o 72.64729 2.856252  1091.770       83.81258 1325.024       
143.9647 972.1821       103.0824 78.06647 4.392509 67.22812 3.652200 10.83835 
5.712504 
1 1 1 0   20  35 o 31.69756 5.758526  246.3555       73.01961 253.7927       
132.2208 243.0920       87.58759 31.38252 9.346143 32.01260 6.729940 
-0.6300850     11.51705 
1 1 1 0   20  36 o 32.24479 5.635318  223.0978       74.10571 409.5335       
134.0501 141.0446       88.93040 40.45686 8.178221 24.03271 7.755251 16.42414 
11.27064 
1 1 1 0   20  37 o 43.29845 4.171041  430.9134       71.01814 441.6489       
123.9738 425.6697       86.64323 42.97993 6.870453 43.61698 4.731514 
-0.6370506     8.342083 
1 1 1 0   20  38 o 41.23608 5.215868  411.3687       81.94682 497.8506       
149.2670 374.0583       98.04294 42.76873 8.615433 39.70344 5.881787 3.065289 
10.43174 
1 1 1 0   21  0  o 140.6698 2.251256  4188.363       128.7104 4068.060       
208.6394 4262.277       163.5375 138.9822 3.575677 142.3575 2.736264 -3.375290 
4.502512 
1 1 1 0   21  1  o 192.4769 2.586762  7822.950       204.6064 7698.495       
323.0584 7906.308       264.3929 191.1296 4.026004 193.8242 3.249098 -2.694641 
5.173523 
1 1 1 0   21  2  o 214.4214 3.081976  9684.434       277.3190 9385.595       
385.3424 10005.50       399.4125 210.9950 4.350064 217.8479 4.367063 -6.852829 
6.163951 
1 1 1 0   21  3  o 124.2434 2.128580  3202.231       107.6875 3072.803       
135.3506 3425.474       177.7613 120.8955 2.666681 127.5913 3.318466 -6.695732 
4.257160 
1 1 1 0   21  4  o 248.8726 3.399595  12805.61       318.1564 12495.66       
372.2901 13645.01       612.6653 243.6494 3.639461 254.0957 5.743110 -10.44626 
6.799190 
1 1 1 0   21  5  o 107.4642 2.187992  2417.857       97.06781 2487.966       
152.7881 2370.409       125.6936 108.7474 3.346506 106.1811 2.819599 2.566353 
4.375984 
1 1 1 0   21  6  o 60.38062 2.363031  757.5753       59.23271 827.7682       
92.32776 708.4769       77.21815 62.72201 3.506174 58.03924 3.168975 4.682770 
4.726061 
1 1 1 0   21  7  o 108.6041 2.493598  2482.766       113.5792 2457.794       
163.9574 2505.808       157.4884 108.0725 3.613572 109.1358 3.437182 -1.063255 
4.987196 
1 1 1 0   21  8  o 151.2578 4.339787  4840.573       220.3934 4829.390       
491.9342 4843.382       246.5177 150.8304 7.768537 151.6852 3.871025 
-0.8548279     8.679573 
1 1 1 0   21  9  o 74.99240 5.020768  1186.134       158.0761 1186.134       
158.0761 0.000000       0.000000 74.99240 5.020768 ?        ?        ? ? 
1 1 1 0   21  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   21  11 o 97.32870 2.701832  1985.098       107.7790 2035.802       
173.2350 1953.078       137.6673 98.30936 4.197221 96.34805 3.403368 1.961304 
5.403663 
1 1 1 0   21  12 o 112.2126 2.332545  2537.720       101.4155 2937.373       
188.8888 2375.852       120.2116 118.1176 3.809016 106.3077 2.693411 11.80989 
4.665090 
1 1 1 0   21  13 o 167.6594 3.112510  5949.514       209.1537 5842.178       
351.1713 6008.519       260.3715 166.3775 5.027422 168.9412 3.670954 -2.563675 
6.225020 
1 1 1 0   21  14 o 146.8513 2.686431  4511.224       155.4545 4629.722       
273.2861 4454.540       189.0133 148.1872 4.392665 145.5154 3.093888 2.671768 
5.372862 
1 1 1 0   21  15 o 103.9960 2.339206  2282.740       99.62315 2246.315       
158.8685 2306.346       127.8933 103.2796 3.663907 104.7125 2.909178 -1.432899 
4.678411 
1 1 1 0   21  16 f 28.11062 4.411635  177.5292       51.21345 133.7107       
79.81113 208.2012       66.77374 24.82988 7.223550 31.39137 5.066598 -6.561493 
8.823270 
1 1 1 0   21  17 o 99.35228 2.233118  2075.175       89.24461 2085.998       
149.5654 2069.191       111.2124 99.51565 3.579816 99.18890 2.670615 0.3267441 
4.466237 
1 1 1 0   21  18 o 78.42845 2.337599  1313.796       75.70789 1164.747       
113.7742 1432.237       101.4216 74.35339 3.644721 82.50351 2.928053 -8.150124 
4.675199 
1 1 1 0   21  19 o 176.8866 3.196767  6555.873       225.7670 6762.435       
386.8532 6449.184       278.0237 178.8371 5.152401 174.9361 3.785503 3.901062 
6.393534 
1 1 1 0   21  20 o 37.97828 3.672891  297.1603       57.78712 370.4152       
90.05369 245.8798       75.34579 41.85906 5.124283 34.09751 5.263291 7.761551 
7.345782 
1 1 1 0   21  21 o 139.2678 2.100937  4090.165       117.6353 4050.083       
196.6243 4112.510       146.8072 138.6865 3.376946 139.8490 2.500396 -1.162582 
4.201874 
1 1 1 0   21  22 o 39.55239 3.391249  338.9536       53.93394 298.4938       
87.04337 364.1680       68.71433 37.54567 5.522007 41.55912 3.938239 -4.013458 
6.782498 
1 1 1 0   21  23 o 149.6859 2.189189  4733.898       135.6507 4616.335       
208.7237 4819.863       178.4843 148.0316 3.358446 151.3401 2.809099 -3.308487 
4.378378 
1 1 1 0   21  24 o 77.80434 2.647163  1227.111       83.94558 1487.739       
140.7302 1083.155       104.5904 83.93713 3.993505 71.67154 3.475890 12.26559 
5.294326 
1 1 1 0   21  25 f 92.72195 2.473360  1816.839       94.98478 1799.713       
146.4885 1829.263       124.7681 92.30270 3.780160 93.14120 3.190678 
-0.8384933     4.946720 
1 1 1 0   21  26 o 163.4733 2.724541  5596.322       178.3724 5840.874       
304.4179 5468.460       220.1176 165.9874 4.368339 160.9592 3.257316 5.028137 
5.449081 
1 1 1 0   21  27 o 47.79036 3.158398  489.2933       62.18396 461.6931       
96.20628 509.0983       81.49588 46.56276 4.921367 49.01796 3.960057 -2.455200 
6.316795 
1 1 1 0   21  28 o 65.46421 3.075204  936.8514       79.65372 829.8433       
133.2125 996.4025       99.37618 62.31565 5.091773 68.61276 3.449836 -6.297108 
6.150408 
1 1 1 0   21  29 o 52.05311 3.628214  623.3430       72.65211 453.8536       
119.5465 722.6015       91.48494 45.77081 6.221129 58.33541 3.735411 -12.56460 
7.256428 
1 1 1 0   21  30 o 49.70626 3.426267  513.8010       69.80034 609.7538       
114.8178 457.5518       87.91017 53.19735 5.140913 46.21516 4.530809 6.982193 
6.852533 
1 1 1 0   21  31 o 43.78075 3.847310  421.7865       67.90485 396.7944       
110.8305 436.8069       85.92045 42.50119 6.211253 45.06032 4.541751 -2.559135 
7.694619 
1 1 1 0   21  32 o 65.14321 3.057092  895.5151       80.79276 988.6085       
135.2809 843.9020       100.7296 67.53466 4.771236 62.75177 3.823420 4.782894 
6.114183 
1 1 1 0   21  33 o 69.34435 2.965999  1039.903       83.67388 1036.356       
135.9370 1042.067       106.1703 68.99857 4.692657 69.69012 3.628715 
-0.6915436     5.931998 
1 1 1 0   21  34 o 72.01185 2.743245  1104.826       80.42538 1185.288       
132.7088 1058.122       101.1077 73.83012 4.281413 70.19358 3.430899 3.636536 
5.486489 
1 1 1 0   21  35 o 46.73783 4.261035  493.3516       77.07907 502.9349       
138.5013 489.0518       92.77327 46.36594 7.115017 47.10973 4.690654 
-0.7437820     8.522071 
1 1 1 0   21  36 o 34.57342 5.508215  298.8872       74.80080 284.3032       
133.9577 305.4947       90.16730 32.61073 9.317078 36.53611 5.878247 -3.925385 
11.01643 
1 1 1 0   21  37 o 13.45764 4.485263  -69.42354      64.69049 -159.3036      
117.2180 -30.05906      77.57377 13.40898 6.525513 13.50631 6.155325 
-0.9732628E-01 8.970527 
1 1 1 0   21  38 o 43.35841 4.645500  478.0672       72.82207 423.1183       
131.1597 502.5548       87.55751 39.59352 8.169220 47.12330 4.425667 -7.529785 
9.291000 
1 1 1 0   22  0  o 66.63196 2.065991  940.8834       57.37941 844.0231       
83.16431 1028.883       79.26922 63.32417 3.128157 69.93975 2.699613 -6.615582 
4.131982 
1 1 1 0   22  1  o 60.83888 2.169996  795.5629       54.13203 681.1225       
82.15906 883.3525       71.95939 56.87011 3.441062 64.80766 2.644735 -7.937557 
4.339992 
1 1 1 0   22  2  o 186.9921 2.249146  7313.914       169.9039 7194.145       
212.2190 7527.737       283.5559 184.9395 2.733226 189.0446 3.572690 -4.105118 
4.498293 
1 1 1 0   22  3  o 59.01515 2.174621  727.8824       53.39909 877.1710       
78.87421 601.5529       72.55622 64.57121 2.909492 53.45910 3.232765 11.11212 
4.349243 
1 1 1 0   22  4  o 60.49165 2.175639  770.3267       55.21592 758.7458       
79.20793 781.2746       77.01257 60.04608 3.141992 60.93721 3.010233 
-0.8911285     4.351277 
1 1 1 0   22  5  o 174.3387 2.882938  6377.222       210.4204 6034.621       
284.8259 6788.881       312.2153 169.2187 4.009150 179.4586 4.143916 -10.23991 
5.765875 
1 1 1 0   22  6  o 34.52723 3.615346  251.1525       50.07771 333.9161       
75.83392 187.1524       66.68592 39.78590 4.539995 29.26856 5.627732 10.51734 
7.230693 
1 1 1 0   22  7  o 267.0494 5.286472  15182.04       589.5264 15011.40       
877.4903 15322.42       795.9009 265.4922 7.872480 268.6065 7.057705 -3.114288 
10.57294 
1 1 1 0   22  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   22  9  o 158.8266 3.762085  5332.855       248.0712 5312.090       
379.7455 5348.312       327.6439 158.4785 5.707465 159.1747 4.902855 
-0.6961823     7.524171 
1 1 1 0   22  10 f 99.83667 2.926670  2103.948       122.2859 2056.488       
179.0435 2145.445       167.4180 98.76206 4.318067 100.9113 3.951695 -2.149208 
5.853341 
1 1 1 0   22  11 o 310.1759 7.522969  20468.88       979.6620 0.000000       
0.000000 20468.88       979.6620 ?        ?        310.1759 7.522969 ? ? 
1 1 1 0   22  12 o 179.8975 5.902572  6851.562       445.8054 6851.562       
445.8054 0.000000       0.000000 179.8975 5.902572 ?        ?        ? ? 
1 1 1 0   22  13 o 221.9823 4.668205  10442.18       432.6059 10600.74       
649.1826 10315.52       580.2061 223.3759 6.922318 220.5886 6.264987 2.787308 
9.336410 
1 1 1 0   22  14 o 67.14365 2.351500  962.9677       65.21416 850.2094       
97.76522 1053.361       87.53413 63.52985 3.665453 70.75745 2.946635 -7.227608 
4.703000 
1 1 1 0   22  15 o 28.76530 4.274504  186.0401       49.94725 143.5603       
77.95055 215.6293       65.05708 25.58142 7.039992 31.94918 4.850158 -6.367756 
8.549007 
1 1 1 0   22  16 o 72.40071 2.347076  1098.451       69.72997 1128.141       
111.7376 1079.513       89.23908 73.17630 3.637057 71.62512 2.967637 1.551178 
4.694151 
1 1 1 0   22  17 o 120.5118 2.276709  3086.901       112.1628 2921.146       
177.7690 3196.530       144.5720 117.7558 3.595794 123.2679 2.793542 -5.512085 
4.553418 
1 1 1 0   22  18 o 207.8665 3.117879  9093.401       246.6871 9176.083       
459.5389 9059.931       292.3871 208.3002 5.254770 207.4328 3.357391 0.8674011 
6.235759 
1 1 1 0   22  19 o 142.3397 2.593725  4290.780       151.4126 4161.185       
239.4996 4377.063       195.4210 140.4820 4.060740 144.1975 3.228008 -3.715469 
5.187450 
1 1 1 0   22  20 o 250.2902 2.729598  12920.30       232.3022 13692.44       
517.7801 12725.71       259.9309 254.5781 4.844460 246.0023 2.516749 8.575790 
5.459196 
1 1 1 0   22  21 o 173.7009 2.809817  6349.756       200.1159 6421.779       
320.2154 6303.601       256.3382 174.4242 4.372768 172.9775 3.529757 1.446762 
5.619634 
1 1 1 0   22  22 o 113.1562 2.614939  2680.199       121.5010 2790.558       
194.8978 2610.045       155.3928 115.0010 4.036699 111.3113 3.325161 3.689674 
5.229879 
1 1 1 0   22  23 o 15.53941 4.812171  -17.25015      59.58984 -42.91502      
94.38979 -0.2425986     76.83804 15.49352 6.958501 15.58530 6.648853 
-0.9177780E-01 9.624343 
1 1 1 0   22  24 f 68.31981 2.756178  1002.114       77.55019 885.2651       
117.4281 1092.495       103.2751 64.67941 4.324411 71.96021 3.418411 -7.280800 
5.512355 
1 1 1 0   22  25 o 131.0452 2.095317  3586.628       110.3938 3738.690       
186.7960 3505.013       136.8492 133.0806 3.343289 129.0097 2.526626 4.070877 
4.190635 
1 1 1 0   22  26 o 27.45771 4.914658  174.4255       63.83328 54.94832       
100.2857 255.8011       82.76440 20.32826 8.008071 34.58716 5.699670 -14.25891 
9.829315 
1 1 1 0   22  27 o 42.22309 3.799018  387.2438       65.44107 353.5639       
102.9625 410.0704       84.76453 40.55349 6.047444 43.89268 4.599844 -3.339188 
7.598036 
1 1 1 0   22  28 o 48.81990 3.192017  515.6359       63.75193 471.0910       
99.60643 546.5460       82.97326 46.91096 5.057479 50.72883 3.895869 -3.817863 
6.384034 
1 1 1 0   22  29 o 90.22780 2.604451  1746.831       95.50620 1661.659       
153.7817 1800.308       121.8548 88.26963 4.149678 92.18596 3.148465 -3.916328 
5.208902 
1 1 1 0   22  30 o 53.37804 3.388797  625.6353       72.23131 570.2263       
119.3698 657.6432       90.72628 51.24986 5.547826 55.50623 3.893251 -4.256374 
6.777594 
1 1 1 0   22  31 o 86.01160 2.385614  1580.707       81.57220 1561.480       
139.3890 1590.722       100.5972 85.40558 3.887437 86.61763 2.766307 -1.212051 
4.771228 
1 1 1 0   22  32 o 17.50742 5.060439  36.09706       57.78334 7.359467       
100.1126 50.45342       70.75964 17.46900 7.524683 17.54584 6.768405 
-0.7683754E-01 10.12088 
1 1 1 0   22  33 o 18.80606 5.049906  11.80025       58.16195 151.4098       
102.8453 -53.84479      70.52251 25.36887 8.344668 12.24326 5.689702 13.12561 
10.09981 
1 1 1 0   22  34 o 24.86534 5.554318  124.3770       66.91850 240.3821       
111.3056 58.71009       83.74362 31.08394 8.349940 18.64674 7.326683 12.43720 
11.10864 
1 1 1 0   22  35 o 24.10069 5.508669  144.4807       71.21017 29.09906       
121.8699 204.2972       87.74824 19.29028 8.305605 28.91109 7.238691 -9.620810 
11.01734 
1 1 1 0   22  36 o 20.60604 5.839049  46.65473       73.65188 168.4161       
134.1910 -5.838836      88.10928 25.74303 9.459799 15.46906 6.847640 10.27397 
11.67810 
1 1 1 0   22  37 o 19.03034 5.578518  62.11751       66.92836 43.42017       
135.5819 68.14158       76.95855 19.79100 8.642171 18.26967 7.056369 1.521328 
11.15704 
1 1 1 0   22  38 o 28.12413 5.840729  167.1315       77.24719 416.8141       
141.3207 60.74445       92.24780 38.11879 8.969890 18.12947 7.483152 19.98932 
11.68146 
1 1 1 0   23  0  o 130.6444 2.141946  3584.157       115.7600 3547.819       
150.9475 3636.042       180.3735 129.8689 2.768482 131.4199 3.269133 -1.551041 
4.283891 
1 1 1 0   23  1  o 169.9736 2.621147  6031.985       182.3050 5849.945       
231.4824 6329.304       295.8318 166.6911 3.307703 173.2560 4.067032 -6.564865 
5.242294 
1 1 1 0   23  2  o 232.4024 2.744677  11359.73       267.5138 10772.89       
368.7072 12012.03       388.7297 226.0775 3.884591 238.7273 3.878525 -12.64983 
5.489354 
1 1 1 0   23  3  o 104.8182 2.112289  2324.613       92.36074 2171.266       
135.6809 2457.031       126.0823 101.5620 3.182060 108.0743 2.778770 -6.512337 
4.224579 
1 1 1 0   23  4  f 56.31847 2.511298  674.7198       58.38081 628.1052       
89.42437 709.3457       77.07179 54.58625 3.902058 58.05069 3.162344 -3.464443 
5.022596 
1 1 1 0   23  5  o 78.78308 2.272177  1299.983       74.93756 1395.150       
111.2630 1220.970       101.3805 81.40572 3.255494 76.16045 3.170633 5.245277 
4.544354 
1 1 1 0   23  6  o 180.1082 3.500641  6851.548       256.6313 6869.354       
417.7679 6840.757       325.2288 180.1496 5.523609 180.0669 4.302058 
0.8271790E-01  7.001282 
1 1 1 0   23  7  o 68.98833 3.296637  1032.336       83.32030 948.2531       
160.9290 1063.131       97.38975 66.91378 5.728486 71.06289 3.264311 -4.149109 
6.593275 
1 1 1 0   23  8  o 197.1284 4.281853  8120.935       339.3356 7845.502       
419.6949 8640.904       576.6539 192.6263 5.189664 201.6306 6.812081 -9.004318 
8.563706 
1 1 1 0   23  9  o 257.2058 5.183876  14205.48       542.1865 13591.91       
873.1293 14590.57       691.7102 252.1605 8.247505 262.2512 6.282432 -10.09070 
10.36775 
1 1 1 0   23  10 o 109.5651 2.724610  2538.795       124.8559 2396.094       
181.2749 2667.594       172.2188 106.6028 4.050329 112.5274 3.645385 -5.924614 
5.449220 
1 1 1 0   23  11 o 44.79761 3.999742  444.7616       69.78748 299.7016       
99.79119 583.6150       97.63301 37.00689 6.666092 52.58832 4.422099 -15.58142 
7.999484 
1 1 1 0   23  12 o 116.8760 2.784046  2863.916       133.8323 2956.746       
213.2374 2803.585       171.9064 118.3839 4.290340 115.3681 3.549172 3.015747 
5.568091 
1 1 1 0   23  13 f 72.18577 3.637006  1097.814       110.2236 0.000000       
0.000000 1097.814       110.2236 ?        ?        72.18577 3.637006 ? ? 
1 1 1 0   23  14 o 105.6477 2.634165  2352.365       115.6413 2348.847       
176.5368 2355.008       153.0495 105.5496 3.983819 105.7457 3.447389 
-0.1960907     5.268331 
1 1 1 0   23  15 o 118.1630 2.482378  2910.609       119.6962 2817.387       
151.2218 3066.986       195.8593 115.6980 3.113219 120.6280 3.867384 -4.929947 
4.964755 
1 1 1 0   23  16 f 152.2644 2.912598  4852.737       180.5975 5036.928       
296.1118 4743.643       227.8887 154.4685 4.566011 150.0604 3.617244 4.408112 
5.825196 
1 1 1 0   23  17 o 51.10181 2.912559  561.3701       60.74988 498.7993       
94.73777 605.0662       79.16962 48.60497 4.642624 53.59864 3.518243 -4.993671 
5.825118 
1 1 1 0   23  18 o 64.78464 2.564095  893.4913       68.17451 836.8751       
106.5248 932.7672       88.72434 63.00111 4.027390 66.56817 3.174660 -3.567062 
5.128190 
1 1 1 0   23  19 o 58.94918 2.743401  740.3483       66.97112 675.9661       
100.7282 791.3570       89.65826 56.60371 4.238648 61.29465 3.484085 -4.690945 
5.486801 
1 1 1 0   23  20 o 54.72977 2.947523  614.5630       66.71013 740.4947       
106.0785 532.1763       85.80014 59.23282 4.265656 50.22672 4.068874 9.006100 
5.895045 
1 1 1 0   23  21 o 155.4428 2.714791  5101.257       170.9671 5079.329       
281.0780 5114.134       215.3940 155.0782 4.317149 155.8074 3.292809 
-0.7291870     5.429583 
1 1 1 0   23  22 o 191.7523 2.694758  7771.492       197.7735 7734.534       
363.7007 7787.010       235.6614 191.2119 4.530544 192.2927 2.919085 -1.080841 
5.389516 
1 1 1 0   23  23 o 131.1475 2.187258  3605.891       115.0055 3691.540       
194.9888 3560.204       142.4137 132.2567 3.511665 130.0383 2.608564 2.218430 
4.374516 
1 1 1 0   23  24 o 60.74185 2.596389  763.8555       65.04298 862.8928       
104.3231 700.8759       83.19196 63.87202 3.890370 57.61168 3.439473 6.260338 
5.192779 
1 1 1 0   23  25 o 79.86385 2.464871  1322.860       80.65002 1460.884       
131.6682 1239.980       102.0303 83.08842 3.774517 76.63927 3.171020 6.449142 
4.929741 
1 1 1 0   23  26 o 166.7810 2.908043  5961.189       196.1174 5675.402       
319.8281 6133.401       248.2716 163.2881 4.665339 170.2738 3.472964 -6.985718 
5.816087 
1 1 1 0   23  27 o 59.04733 2.932684  764.4971       68.59605 664.8223       
113.7848 821.4052       85.97626 55.79011 4.857896 62.30455 3.286850 -6.514439 
5.865367 
1 1 1 0   23  28 o 59.72348 3.199431  780.5192       77.06439 688.0131       
123.3478 839.7473       98.69846 56.58355 5.192331 62.86341 3.739672 -6.279858 
6.398863 
1 1 1 0   23  29 o 23.30524 5.451355  92.25796       64.67557 198.3953       
106.6531 30.52712       81.33740 29.26151 8.298611 17.34896 7.071218 11.91255 
10.90271 
1 1 1 0   23  30 o 106.9199 2.348006  2424.506       99.90740 2456.818       
171.4876 2407.903       122.9230 107.2316 3.809177 106.6082 2.746397 0.6233368 
4.696012 
1 1 1 0   23  31 o 40.15586 4.193418  348.2697       68.86259 388.3341       
113.0268 324.6189       86.84119 41.77915 6.443815 38.53257 5.368079 3.246586 
8.386836 
1 1 1 0   23  32 f 20.46498 5.523560  63.17925       65.08009 126.2314       
108.5331 27.78002       81.32219 23.99248 8.537522 16.93749 7.010674 7.054987 
11.04712 
1 1 1 0   23  33 o 43.12335 4.027026  402.4070       70.55397 464.6469       
118.4708 368.2008       87.82726 45.38584 6.217445 40.86086 5.119681 4.524982 
8.054052 
1 1 1 0   23  34 f 62.80266 3.211589  816.1583       81.31738 1050.764       
141.0968 699.4802       99.50465 68.96506 4.873143 56.64026 4.184458 12.32480 
6.423178 
1 1 1 0   23  35 o 16.19808 4.979848  1.401262       62.85374 37.17930       
96.70721 -24.76545      82.70374 18.06156 7.570529 14.33461 6.471680 3.726943 
9.959696 
1 1 1 0   23  36 o 82.23125 2.901225  1459.037       90.66299 1564.791       
170.8516 1417.585       106.9658 83.45966 4.875997 81.00284 3.145326 2.456825 
5.802449 
1 1 1 0   23  37 o 47.29819 4.426147  504.3259       82.00626 639.2657       
150.8407 447.7075       97.70737 50.64894 7.093641 43.94743 5.295598 6.701515 
8.852293 
1 1 1 0   23  38 o 38.54961 7.253230  453.6967       107.1671 523.8447       
231.9168 434.6513       120.8426 36.31145 12.52256 40.78778 7.322767 -4.476330 
14.50646 
1 1 1 0   24  0  o 95.49366 2.120157  1923.957       84.78728 1834.295       
122.4270 2006.599       117.5370 93.33948 3.124158 97.64784 2.867036 -4.308365 
4.240314 
1 1 1 0   24  1  o 66.32976 2.204139  930.7196       60.72288 892.3809       
91.82130 960.5192       80.95223 65.09478 3.359838 67.56473 2.853842 -2.469948 
4.408279 
1 1 1 0   24  2  o 58.85425 2.612599  733.9965       62.27761 713.9221       
101.8401 745.9879       78.71024 58.17741 4.169515 59.53108 3.149261 -1.353664 
5.225198 
1 1 1 0   24  3  o 20.21859 4.789488  81.64877       47.64688 81.71196       
71.89310 81.59930       63.62723 20.43041 6.976868 20.00678 6.563544 0.4236240 
9.578977 
1 1 1 0   24  4  o 86.75241 2.500949  1551.691       87.41450 1702.252       
148.8071 1472.359       108.0163 89.86212 3.944284 83.64270 3.075971 6.219421 
5.001897 
1 1 1 0   24  5  o 149.6648 2.651026  4709.839       166.3951 4492.033       
229.0275 4953.335       242.1576 146.0098 3.736169 153.3198 3.762019 -7.309967 
5.302051 
1 1 1 0   24  6  o 78.05958 2.456582  1293.707       79.71857 1191.168       
118.4107 1378.710       107.8115 75.18654 3.751213 80.93262 3.172944 -5.746078 
4.913163 
1 1 1 0   24  7  o 151.8462 7.096725  4905.956       452.4189 4905.956       
452.4189 0.000000       0.000000 151.8462 7.096725 ?        ?        ? ? 
1 1 1 0   24  8  f 162.4578 3.305953  5581.454       222.9664 5515.210       
340.6719 5631.092       294.9015 161.5396 5.023178 163.3760 4.299417 -1.836487 
6.611906 
1 1 1 0   24  9  o 104.7183 2.521007  2318.416       109.0793 2260.083       
168.8944 2360.158       142.8731 103.5504 3.884941 105.8862 3.213898 -2.335777 
5.042014 
1 1 1 0   24  10 o 30.10420 4.971304  194.5521       62.45912 273.0132       
94.61367 133.9479       83.15302 35.29536 6.629058 24.91304 7.410199 10.38232 
9.942609 
1 1 1 0   24  11 o 29.70295 4.830950  187.2924       62.45676 284.9539       
92.17150 104.3797       84.92699 36.66642 5.987550 22.73948 7.582977 13.92694 
9.661900 
1 1 1 0   24  12 o 109.1176 2.932841  2513.200       134.0320 2477.655       
195.7243 2544.588       183.9253 108.3714 4.301809 109.8639 3.987564 -1.492477 
5.865682 
1 1 1 0   24  13 o 106.8533 3.009469  2404.411       134.2787 2446.544       
201.3759 2370.678       180.1838 107.6699 4.454862 106.0366 4.047446 1.633308 
6.018938 
1 1 1 0   24  14 o 120.7000 2.900470  3038.181       141.7699 3198.774       
236.4320 2948.026       177.1496 123.0964 4.574903 118.3036 3.566674 4.792885 
5.800939 
1 1 1 0   24  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   24  16 o 34.50866 4.960638  258.5101       69.08151 303.0549       
104.8183 224.3037       91.85265 37.16282 6.975266 31.85451 7.055308 5.308310 
9.921275 
1 1 1 0   24  17 o 93.70361 2.323151  1851.431       91.06052 1815.391       
133.9036 1882.438       124.2011 92.84078 3.435378 94.56645 3.128308 -1.725670 
4.646303 
1 1 1 0   24  18 o 54.53135 2.850809  635.5465       63.73502 584.7850       
99.31527 671.0901       83.10534 52.62378 4.495263 56.43893 3.507286 -3.815155 
5.701618 
1 1 1 0   24  19 o 224.9356 2.577305  10511.32       205.2465 10954.56       
430.7942 10381.16       233.4446 227.7099 4.506184 222.1613 2.502859 5.548599 
5.154609 
1 1 1 0   24  20 o 15.57561 4.759326  -9.208619      57.29847 -45.10435      
90.52847 14.78220       74.00929 15.03907 6.781327 16.11214 6.679695 -1.073074 
9.518651 
1 1 1 0   24  21 o 102.7044 2.403255  2221.420       100.7589 2237.302       
163.0030 2211.599       128.1811 102.9468 3.771411 102.4621 2.979765 0.4846954 
4.806510 
1 1 1 0   24  22 o 214.1446 3.210993  9762.078       267.6600 9591.578       
475.9391 9840.945       323.6999 212.3930 5.337430 215.8961 3.571238 -3.503082 
6.421985 
1 1 1 0   24  23 o 107.0785 2.421068  2405.232       106.9800 2506.710       
169.0391 2337.432       138.1712 108.8970 3.697365 105.2599 3.126624 3.637115 
4.842136 
1 1 1 0   24  24 o 98.59137 2.560862  2067.476       103.9369 1992.872       
162.2684 2119.378       135.3454 96.99760 3.984684 100.1852 3.217817 -3.187553 
5.121724 
1 1 1 0   24  25 o 91.19147 2.366008  1730.022       88.77191 1895.829       
142.9071 1625.842       113.2781 94.64181 3.596598 87.74112 3.075134 6.900688 
4.732015 
1 1 1 0   24  26 o 73.80999 2.641166  1151.205       80.93659 1182.334       
124.7722 1128.592       106.3464 74.61725 3.982902 73.00273 3.469803 1.614517 
5.282332 
1 1 1 0   24  27 o 72.79828 2.764891  1148.084       77.63999 1071.778       
138.3234 1183.182       93.81149 70.80430 4.653259 74.79225 2.987586 -3.987953 
5.529783 
1 1 1 0   24  28 o 107.7086 2.438605  2497.385       107.9317 2280.298       
166.5044 2654.708       141.7445 103.4683 3.833004 111.9489 3.015835 -8.480568 
4.877211 
1 1 1 0   24  29 o 34.08071 4.801169  238.1479       66.02135 387.4337       
111.5415 157.6413       81.91113 41.98339 6.328198 26.17803 7.222106 15.80536 
9.602339 
1 1 1 0   24  30 o 20.75402 5.410851  48.18120       64.39712 162.7647       
109.1993 -12.91514      79.73819 26.56965 8.595687 14.93839 6.574449 11.63126 
10.82170 
1 1 1 0   24  31 o 42.26686 3.774031  408.3335       63.79961 313.3823       
98.20827 477.6653       83.91974 37.49960 6.237959 47.03413 4.249835 -9.534534 
7.548062 
1 1 1 0   24  32 o 75.04982 2.916837  1195.733       88.49168 1304.893       
149.0853 1136.353       109.9567 77.37627 4.589316 72.72338 3.601378 4.652885 
5.833673 
1 1 1 0   24  33 o 23.96757 5.621024  137.8157       66.99155 97.14346       
110.8445 161.2213       84.08620 22.07449 8.480900 25.86066 7.379564 -3.786167 
11.24205 
1 1 1 0   24  34 f 53.99620 3.460630  629.7191       76.68288 727.7532       
125.2401 570.9250       96.98888 57.06528 5.227483 50.92712 4.536218 6.138168 
6.921260 
1 1 1 0   24  35 o 26.11176 5.476460  179.8018       70.85488 76.71026       
115.7179 241.6356       89.61937 20.78128 8.446310 31.44224 6.973254 -10.66096 
10.95292 
1 1 1 0   24  36 o 37.11347 4.647920  301.7416       67.88033 532.9262       
114.4492 176.2849       84.31023 47.94974 5.685224 26.27720 7.354650 21.67254 
9.295840 
1 1 1 0   24  37 o 29.57245 5.470632  260.1732       75.17007 135.9597       
135.0857 315.8880       90.47119 22.84898 9.190333 36.29591 5.937090 -13.44693 
10.94126 
1 1 1 0   25  0  o 65.41267 2.338650  891.3722       62.67212 950.2500       
101.6854 855.3062       79.58516 67.10648 3.609234 63.71886 2.974988 3.387627 
4.677299 
1 1 1 0   25  1  o 105.4978 3.201478  2274.136       120.8720 2507.951       
252.9948 2204.980       137.5910 108.6973 5.543878 102.2982 3.203635 6.399117 
6.402957 
1 1 1 0   25  2  o 217.4183 5.203725  10135.74       354.8510 10046.59       
860.5011 10154.01       389.5125 215.5530 9.508638 219.2835 4.230937 -3.730438 
10.40745 
1 1 1 0   25  3  o 92.09418 2.298096  1781.022       88.55365 1846.622       
131.6676 1726.842       119.6594 93.62872 3.349585 90.55965 3.147264 3.069077 
4.596193 
1 1 1 0   25  4  o 44.65086 3.250904  405.5269       59.39967 491.8157       
98.35604 355.9865       74.52522 48.23490 4.856918 41.06683 4.322482 7.168072 
6.501808 
1 1 1 0   25  5  o 106.4161 2.583394  2359.036       114.1396 2563.816       
177.7173 2215.261       148.9116 110.2808 3.838405 102.5514 3.458663 7.729439 
5.166789 
1 1 1 0   25  6  o 67.53880 4.929735  964.0964       139.7835 0.000000       
0.000000 964.0964       139.7835 ?        ?        67.53880 4.929735 ? ? 
1 1 1 0   25  7  f 76.46162 2.644243  1232.125       84.58495 1098.900       
118.0409 1372.732       121.2667 72.20048 3.894157 80.72278 3.578216 -8.522301 
5.288486 
1 1 1 0   25  8  o 104.1170 2.904129  2295.890       125.1792 2225.084       
192.1966 2348.054       164.9670 102.6738 4.458690 105.5602 3.722357 -2.886383 
5.808258 
1 1 1 0   25  9  o 143.4299 2.986334  4356.984       178.6303 4170.506       
265.1056 4512.053       241.7496 140.5617 4.492344 146.2981 3.935937 -5.736404 
5.972668 
1 1 1 0   25  10 o 58.34863 2.908409  707.0379       70.48203 792.0054       
109.8908 647.6572       91.86662 61.27057 4.271992 55.42669 3.947843 5.843880 
5.816819 
1 1 1 0   25  11 o 144.6827 3.061209  4407.991       184.8998 4499.303       
277.8212 4335.386       247.7333 145.9892 4.532792 143.3762 4.115555 2.612991 
6.122417 
1 1 1 0   25  12 o 149.0301 3.527865  4702.382       220.3258 4517.882       
317.1895 4874.401       306.2726 146.1631 5.168947 151.8972 4.802635 -5.734070 
7.055729 
1 1 1 0   25  13 o 107.1798 2.637442  2416.428       118.2866 2473.169       
175.4010 2369.099       160.1960 108.3172 3.857054 106.0423 3.598268 2.274857 
5.274884 
1 1 1 0   25  14 o 114.8929 2.974351  2748.918       140.5909 2961.104       
225.7366 2614.456       179.6979 118.4203 4.540429 111.3656 3.843378 7.054695 
5.948702 
1 1 1 0   25  15 o 91.56319 2.972807  1774.343       113.3116 1725.911       
170.4562 1812.692       151.6764 90.40691 4.490889 92.71947 3.896441 -2.312561 
5.945615 
1 1 1 0   25  16 o 69.99284 2.866990  1019.281       83.51492 1142.245       
128.9170 930.3583       109.6293 73.56955 4.173813 66.41615 3.931642 7.153404 
5.733980 
1 1 1 0   25  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 0   25  18 o 134.9377 3.234856  3816.600       177.7709 3989.083       
291.8083 3714.808       224.1714 137.2281 5.064953 132.6472 4.025346 4.580963 
6.469711 
1 1 1 0   25  19 o 53.83681 2.849730  612.5920       63.67631 610.1730       
97.58621 614.3858       84.03039 53.71833 4.327001 53.95530 3.709568 
-0.2369690     5.699459 
1 1 1 0   25  20 o 169.4134 2.413368  5873.819       152.8786 6455.791       
299.1918 5668.181       177.8490 174.7406 4.078280 164.0863 2.581667 10.65427 
4.826735 
1 1 1 0   25  21 o 51.09032 3.217542  543.6429       68.13779 614.0509       
107.2194 495.9446       88.24976 53.79385 4.747464 48.38679 4.344180 5.407059 
6.435084 
1 1 1 0   25  22 o 84.20551 2.267521  1505.835       79.45057 1416.154       
118.4328 1579.222       107.1349 81.87626 3.445363 86.53477 2.948910 -4.658508 
4.535041 
1 1 1 0   25  23 o 25.54810 5.408046  140.0525       61.67705 167.0580       
97.46113 122.0125       79.65681 27.40200 7.985835 23.69421 7.294812 3.707788 
10.81609 
1 1 1 0   25  24 o 158.4622 2.925906  5278.488       185.3346 5498.624       
317.3460 5164.542       228.3168 160.6889 4.704010 156.2354 3.480803 4.453537 
5.851811 
1 1 1 0   25  25 o 22.14941 5.423963  96.15620       60.57270 116.0370       
96.31118 83.14630       77.91057 23.69166 8.075236 20.60716 7.243482 3.084497 
10.84793 
1 1 1 0   25  26 o 30.48391 4.718907  240.8064       64.88438 47.84084       
106.1018 356.0769       82.00530 20.17708 8.132799 40.79074 4.788521 -20.61366 
9.437815 
1 1 1 0   25  27 o 79.49155 2.562247  1371.081       82.84306 1217.571       
130.2542 1475.359       107.3541 75.53366 4.107451 83.44945 3.064194 -7.915787 
5.124494 
1 1 1 0   25  28 f 32.65360 4.988694  233.3244       64.67183 296.9724       
107.6384 197.3683       80.90241 35.93242 7.388479 29.37479 6.705122 6.557627 
9.977388 
1 1 1 0   25  29 f 46.75699 3.629464  455.7119       68.96323 552.1910       
116.5408 403.7227       85.54958 50.28804 5.519939 43.22594 4.714054 7.062103 
7.258928 
1 1 1 0   25  30 o 27.52491 5.258623  190.3743       65.55471 97.15914       
109.6176 242.2729       81.79279 22.47770 8.492245 32.57213 6.204374 -10.09443 
10.51725 
1 1 1 0   25  31 o 63.94180 3.234234  892.6025       84.41996 874.9692       
135.2903 903.8462       108.0325 63.14830 5.103004 64.73529 3.974975 -1.586994 
6.468468 
1 1 1 0   25  32 o 23.79661 5.405914  138.1080       63.48202 69.82700       
112.5699 169.9489       76.87153 20.84537 8.387421 26.74785 6.822520 -5.902481 
10.81183 
1 1 1 0   25  33 o 19.39181 5.499403  61.33354       66.16946 56.53511       
111.7923 63.92118       82.09465 19.99902 8.243618 18.78460 7.281242 1.214417 
10.99881 
1 1 1 0   25  34 o 30.37979 5.006045  239.8525       63.67680 156.3301       
106.5136 286.3054       79.43468 25.08270 8.492186 35.67689 5.303277 -10.59419 
10.01209 
1 1 1 0   25  35 o 48.19505 3.595702  523.2367       69.17483 528.3462       
117.1761 520.5034       85.70280 47.83768 5.834314 48.55241 4.204412 
-0.7147255     7.191405 
1 1 1 0   25  36 o 39.08800 5.046303  385.1011       75.18573 375.7102       
131.0556 389.7082       91.79401 37.15360 8.570500 41.02240 5.329842 -3.868797 
10.09261 
1 1 1 0   25  37 o 31.62780 6.520061  296.0081       79.84500 296.4965       
227.5482 295.9395       85.26662 28.12172 11.68885 35.13389 5.780613 -7.012177 
13.04012 
1 1 1 0   26  0  o 75.14931 2.798187  1182.012       82.60896 1232.791       
146.5645 1158.370       100.0080 76.21490 4.580470 74.08373 3.215384 2.131165 
5.596374 
1 1 1 0   26  1  o 102.1861 3.114293  2146.328       111.1507 2333.524       
239.9833 2095.204       125.4133 104.6829 5.460422 99.68934 2.996512 4.993591 
6.228587 
1 1 1 0   26  2  o 84.21664 2.862824  1495.875       95.61300 1511.251       
165.2689 1488.140       117.2215 84.44196 4.661802 83.99133 3.324251 0.4506226 
5.725648 
1 1 1 0   26  3  f 96.07079 2.981533  1969.187       111.8894 1902.860       
196.8659 2000.836       135.9886 94.73322 4.949819 97.40836 3.325274 -2.675133 
5.963066 
1 1 1 0   26  4  o 161.1545 3.257611  5494.911       194.2956 5498.733       
377.7180 5493.535       226.5694 160.8841 5.592110 161.4250 3.343117 
-0.5409546     6.515222 
1 1 1 0   26  5  o 55.91179 4.139000  701.0206       84.24613 588.4721       
159.8698 744.2905       99.12645 52.44820 7.260337 59.37537 3.976531 -6.927162 
8.278001 
1 1 1 0   26  6  o 112.8617 3.560407  2683.543       158.4653 2657.528       
193.0058 2737.354       277.5848 112.1918 4.097606 113.5317 5.823711 -1.339836 
7.120813 
1 1 1 0   26  7  o 52.89457 3.176415  589.3210       69.54390 602.5794       
108.3212 580.0239       90.70647 53.37127 4.834228 52.41787 4.121734 0.9533920 
6.352830 
1 1 1 0   26  8  o 152.3741 3.359261  4913.501       214.6897 4787.227       
307.8929 5032.997       299.5147 150.4379 4.874876 154.3103 4.623216 -3.872421 
6.718522 
1 1 1 0   26  9  o 142.4834 3.391944  4308.174       200.2551 4193.189       
306.8474 4393.482       264.2989 140.7323 5.193375 144.2344 4.364630 -3.502106 
6.783888 
1 1 1 0   26  10 o 64.63440 2.814598  885.7883       75.98630 812.9452       
109.9166 952.4667       105.1627 62.05650 4.218879 67.21230 3.726782 -5.155792 
5.629196 
1 1 1 0   26  11 o 73.66805 2.926316  1152.702       89.22353 1098.714       
136.4317 1193.047       117.9406 72.11424 4.506251 75.22185 3.734569 -3.107605 
5.852632 
1 1 1 0   26  12 o 168.6688 3.553233  6058.467       249.8375 5602.605       
366.7460 6453.207       341.2746 162.6139 5.371910 174.7237 4.652359 -12.10979 
7.106466 
1 1 1 0   26  13 o 165.9742 3.776893  5836.972       262.6775 5842.884       
383.5648 5831.750       360.4736 166.0055 5.503479 165.9430 5.174110 
0.6257629E-01  7.553787 
1 1 1 0   26  14 o 50.42625 3.734915  543.2859       78.37505 472.8068       
112.7365 609.2121       109.0343 47.19675 5.689494 53.65576 4.840249 -6.459007 
7.469830 
1 1 1 0   26  15 o 73.53987 2.968221  1137.905       91.24638 1189.760       
136.6686 1096.201       122.5642 75.02951 4.338681 72.05024 4.051812 2.979271 
5.936441 
1 1 1 0   26  16 o 85.72574 2.962050  1554.984       105.8841 1535.779       
158.7264 1570.384       142.1300 85.21332 4.436727 86.23815 3.925611 -1.024834 
5.924100 
1 1 1 0   26  17 o 167.4278 3.290646  5960.392       225.5260 5826.984       
359.2732 6047.143       289.7181 165.7050 5.164286 169.1507 4.079651 -3.445648 
6.581292 
1 1 1 0   26  18 o 167.9232 3.479760  5925.478       240.0826 6256.400       
385.4509 5715.717       306.8807 171.5544 5.351656 164.2920 4.449122 7.262451 
6.959519 
1 1 1 0   26  19 o 136.6552 5.219388  3971.554       299.4502 3971.554       
299.4502 0.000000       0.000000 136.6552 5.219388 ?        ?        ? ? 
1 1 1 0   26  20 o 36.64005 5.151890  302.5440       76.57955 248.7996       
116.1636 343.8545       101.8435 33.18977 8.339986 40.09034 6.050828 -6.900562 
10.30378 
1 1 1 0   26  21 o 128.4795 2.573868  3418.505       127.1977 3672.408       
236.1556 3314.742       150.9676 131.5891 4.274637 125.3699 2.868215 6.219254 
5.147736 
1 1 1 0   26  22 o 162.3631 2.587667  5578.807       169.5677 5582.524       
281.5629 5576.692       212.4064 162.2213 4.134172 162.5048 3.113311 
-0.2834930     5.175334 
1 1 1 0   26  23 o 77.91946 2.590534  1302.138       83.31454 1183.232       
126.5253 1393.164       110.7027 74.66425 4.036321 81.17468 3.248319 -6.510429 
5.181068 
1 1 1 0   26  24 o 26.50496 5.264070  160.4770       60.83287 135.7531       
97.02450 176.4918       78.08781 25.03442 8.102692 27.97550 6.722211 -2.941082 
10.52814 
1 1 1 0   26  25 o 51.06991 3.142505  549.0939       66.51131 604.4760       
104.4606 511.3340       86.25491 53.15817 4.680622 48.98164 4.194416 4.176529 
6.285009 
1 1 1 0   26  26 o 49.75003 3.499904  548.5737       70.28549 458.6974       
110.0378 610.5124       91.34832 46.00913 5.696640 53.49093 4.067630 -7.481800 
6.999809 
1 1 1 0   26  27 o 30.89706 5.176301  209.0874       64.06805 268.2534       
108.5716 177.4776       79.35791 33.98369 7.774667 27.81043 6.836002 6.173262 
10.35260 
1 1 1 0   26  28 o 16.41227 5.004368  2.362175       62.42965 -42.41198      
104.5434 27.17858       77.83096 16.04834 7.259120 16.77619 6.890570 
-0.7278500     10.00874 
1 1 1 0   26  29 o 19.29791 4.852846  63.09917       57.52008 -42.55613      
92.90793 128.7662       73.24548 14.94848 6.792084 23.64735 6.933112 -8.698871 
9.705691 
1 1 1 0   26  30 o 19.22170 5.432363  44.11368       64.42893 96.06265       
108.6183 15.91318       80.02815 22.23960 8.438402 16.20380 6.843656 6.035805 
10.86473 
1 1 1 0   26  31 o 37.57930 4.615098  327.6611       67.82054 313.9784       
112.1730 335.5447       85.14563 36.17462 7.624457 38.98397 5.202323 -2.809349 
9.230196 
1 1 1 0   26  32 o 83.76590 2.594619  1531.420       87.48779 1456.507       
143.8439 1575.403       110.2176 81.76348 4.190378 85.76832 3.060871 -4.004837 
5.189239 
1 1 1 0   26  33 o 16.86583 5.142109  13.98246       66.37660 -35.49215      
111.7959 40.91837       82.48982 16.33494 7.429643 17.39671 7.110947 -1.061775 
10.28422 
1 1 1 0   26  34 o 43.00191 4.579605  452.8480       74.85472 375.6049       
122.7903 498.5309       94.43030 38.72163 7.826999 47.28220 4.757018 -8.560574 
9.159210 
1 1 1 0   26  35 o 17.31390 5.248844  -1.455874      67.90921 102.1929       
113.8469 -58.70427      84.60983 21.51865 8.514794 13.10916 6.140009 8.409489 
10.49769 
1 1 1 0   26  36 o 52.89564 3.271793  632.7621       71.49583 668.3390       
112.5554 608.6976       92.57006 53.79509 4.983616 51.99619 4.240530 1.798901 
6.543586 
1 1 1 0   27  0  o 88.42017 3.061939  1592.112       99.24413 1805.483       
201.5418 1523.811       114.0272 91.92397 5.222247 84.91637 3.198439 7.007607 
6.123877 
1 1 1 0   27  1  o 105.1358 3.091256  2337.564       123.3592 2370.107       
230.9355 2324.571       145.9222 105.3891 5.219343 104.8826 3.313898 0.5065689 
6.182513 
1 1 1 0   27  2  o 35.49249 4.354825  241.3264       59.52002 377.3298       
111.5836 187.2405       70.36665 41.92306 6.339695 29.06191 5.972126 12.86115 
8.709651 
1 1 1 0   27  3  o 15.58023 4.715552  -4.573597      56.28999 -79.06217      
97.42218 32.75674       68.96742 14.51312 6.722523 16.64733 6.614636 -2.134210 
9.431105 
1 1 1 0   27  4  o 24.48877 5.113423  130.1638       58.17548 85.33142       
83.39974 172.6517       81.18985 21.17661 7.489161 27.80092 6.964254 -6.624306 
10.22685 
1 1 1 0   27  5  o 48.81924 5.827591  508.4399       119.4426 508.4399       
119.4426 0.000000       0.000000 48.81924 5.827591 ?        ?        ? ? 
1 1 1 0   27  6  o 45.11385 3.431753  433.3950       64.62209 415.1707       
95.47590 448.8021       87.78645 44.20579 5.144411 46.02192 4.543429 -1.816128 
6.863506 
1 1 1 0   27  7  o 71.15711 2.766912  1070.242       82.55630 1065.422       
119.6289 1074.626       114.0736 70.99172 4.013743 71.32250 3.809601 
-0.3307800     5.533823 
1 1 1 0   27  8  o 79.64120 2.673336  1317.580       87.16112 1436.308       
142.2939 1246.280       110.2695 82.42149 4.112130 76.86092 3.417204 5.560570 
5.346672 
1 1 1 0   27  9  o 142.1526 3.252859  4233.960       188.6677 4469.362       
308.8427 4093.812       238.3016 145.1382 5.068467 139.1671 4.078603 5.971100 
6.505717 
1 1 1 0   27  10 o 29.00417 5.438134  184.2130       67.30961 220.7815       
101.4905 155.4981       89.93412 31.42931 7.733899 26.57903 7.647222 4.850286 
10.87627 
1 1 1 0   27  11 o 98.25283 2.655301  2043.382       109.0299 1979.203       
160.6194 2098.224       148.4783 96.78771 3.952746 99.71795 3.546588 -2.930237 
5.310601 
1 1 1 0   27  12 o 27.51530 5.679361  168.7705       71.04760 123.1305       
108.6808 202.8314       93.88761 24.88406 8.573310 30.14655 7.451101 -5.262487 
11.35872 
1 1 1 0   27  13 o 180.1170 4.120632  6880.940       310.7882 6533.313       
421.3389 7295.793       460.2800 175.1912 5.728491 185.0428 5.924762 -9.851593 
8.241263 
1 1 1 0   27  14 o 149.3746 3.128407  4711.487       193.7941 4805.894       
299.6016 4643.572       254.1141 150.5631 4.739653 148.1861 4.084534 2.377060 
6.256814 
1 1 1 0   27  15 o 32.41062 5.544656  232.7179       75.04097 287.8799       
110.9063 186.1409       101.9113 35.90673 7.591142 28.91451 8.083774 6.992224 
11.08931 
1 1 1 0   27  16 o 53.31156 3.691196  601.7369       82.42908 652.6448       
121.3739 558.1570       112.2990 55.39505 5.218856 51.22807 5.221422 4.166985 
7.382391 
1 1 1 0   27  17 o 90.41916 2.802752  1676.470       103.5275 1959.324       
171.7788 1515.129       129.7365 96.16835 4.254596 84.66998 3.649671 11.49837 
5.605505 
1 1 1 0   27  18 o 60.18503 3.229956  773.7491       80.90232 660.4220       
114.8034 885.5485       114.0269 55.72795 4.906848 64.64211 4.201582 -8.914150 
6.459911 
1 1 1 0   27  19 o 165.6200 3.990756  5854.197       269.2634 5899.903       
437.5530 5826.337       341.6065 165.7823 6.286566 165.4576 4.917683 0.3247528 
7.981511 
1 1 1 0   27  20 o 94.72758 3.528211  1854.592       130.3422 2069.658       
237.8385 1762.274       155.8259 98.29451 5.763337 91.16066 4.071490 7.133850 
7.056421 
1 1 1 0   27  21 o 87.78000 4.339359  1637.755       159.9190 1637.755       
159.9190 0.000000       0.000000 87.78000 4.339359 ?        ?        ? ? 
1 1 1 0   27  22 o 98.18512 2.929229  2048.344       119.7337 2054.156       
181.5144 2043.867       159.3085 98.23015 4.401365 98.14009 3.866459 
0.9005737E-01  5.858457 
1 1 1 0   27  23 o 20.43287 5.047012  44.70864       59.12228 162.6651       
95.51575 -28.55430      75.27595 26.88731 7.928216 13.97843 6.247618 12.90888 
10.09402 
1 1 1 0   27  24 o 64.10678 2.682682  841.1700       70.41622 1025.656       
116.4024 734.6919       88.43230 69.39655 3.995260 58.81701 3.581204 10.57955 
5.365364 
1 1 1 0   27  25 o 86.31152 2.609819  1600.966       91.63831 1520.925       
147.1170 1651.710       117.1387 84.37273 4.153190 88.25031 3.161587 -3.877579 
5.219638 
1 1 1 0   27  26 o 102.0255 2.759142  2241.078       116.9784 2077.038       
174.3170 2375.471       157.7810 98.45264 4.217291 105.5984 3.558921 -7.145805 
5.518284 
1 1 1 0   27  27 o 30.22147 5.444908  214.4783       68.62823 209.1380       
107.0750 218.2017       89.40691 29.75039 8.275822 30.69255 7.078054 
-0.9421577     10.88982 
1 1 1 0   27  28 o 52.60499 3.486091  613.7816       74.13823 551.5389       
118.4783 653.8390       95.04647 50.08810 5.634112 55.12187 4.107079 -5.033772 
6.972182 
1 1 1 0   27  29 o 69.31983 2.853673  1023.903       81.26705 1095.280       
130.7686 978.9915       103.7300 71.10059 4.380777 67.53907 3.658224 3.561523 
5.707347 
1 1 1 0   27  30 o 20.09786 5.430313  50.06907       64.92973 143.1213       
108.0530 -2.520506      81.23126 24.83856 8.549394 15.35716 6.697839 9.481400 
10.86063 
1 1 1 0   27  31 o 24.53126 5.733288  131.9947       67.14977 195.1647       
112.3721 96.90913       83.74673 27.98616 8.674029 21.07636 7.499572 6.909803 
11.46658 
1 1 1 0   27  32 o 47.56161 3.697978  509.1634       71.60291 488.1419       
114.5240 522.6544       91.74603 46.36695 5.883136 48.75627 4.482062 -2.389313 
7.395957 
1 1 1 0   27  33 o 20.32446 5.611070  74.88909       67.44453 115.4291       
111.1095 51.23674       84.86853 22.63837 8.550754 18.01054 7.267808 4.627825 
11.22214 
1 1 1 0   27  34 o 27.12371 5.786633  193.7418       70.65491 179.9238       
117.0755 201.6574       88.61060 26.04980 8.903278 28.19762 7.394061 -2.147823 
11.57327 
1 1 1 0   27  35 o 24.11321 5.419332  137.3603       63.60705 235.3662       
102.6492 76.27316       81.04102 29.47268 8.064507 18.75374 7.241572 10.71894 
10.83866 
1 1 1 0   27  36 o 21.51575 6.292633  111.9202       82.59300 8.147296       
229.3649 127.3809       88.53210 21.12625 9.939918 21.90524 7.719258 
-0.7789917     12.58527 
1 1 1 0   28  0  o 65.19994 2.847275  896.9000       75.12321 933.5328       
125.0992 876.2393       93.94888 66.12078 4.506482 64.27911 3.481311 1.841675 
5.694551 
1 1 1 0   28  1  o 74.67294 2.721036  1193.076       81.18150 1153.131       
136.5428 1214.916       100.9646 73.56366 4.421061 75.78223 3.173387 -2.218567 
5.442073 
1 1 1 0   28  2  f 84.98448 2.545732  1523.707       83.48569 1546.554       
152.0318 1513.843       99.89494 85.28628 4.245966 84.68269 2.809765 0.6035919 
5.091464 
1 1 1 0   28  3  o 26.54906 4.955379  175.1845       59.64125 46.61670       
115.9634 221.4237       69.54406 20.90333 8.470589 32.19480 5.145119 -11.29147 
9.910758 
1 1 1 0   28  4  o 45.13248 4.243481  393.0009       73.42603 551.4510       
143.5580 336.8639       85.44872 50.53205 6.766770 39.73290 5.122435 10.79915 
8.486961 
1 1 1 0   28  5  o 94.02841 3.314189  1874.299       121.2014 1864.170       
146.0052 1896.750       217.3669 93.85047 3.705553 94.20636 5.495841 
-0.3558884     6.628378 
1 1 1 0   28  6  o 101.6952 2.787096  2158.293       116.2152 2336.277       
188.6196 2049.380       147.5486 104.9441 4.281046 98.44621 3.569909 6.497879 
5.574191 
1 1 1 0   28  7  o 154.9507 3.595212  5049.305       222.8873 5322.380       
381.8328 4908.165       274.5095 157.7742 5.764455 152.1271 4.298054 5.647171 
7.190425 
1 1 1 0   28  8  o 39.50412 4.018082  333.7100       66.39854 329.1068       
97.76269 337.6516       90.46479 39.21958 5.937332 39.78865 5.415536 
-0.5690765     8.036164 
1 1 1 0   28  9  o 88.00999 2.674808  1636.117       98.67966 1512.326       
136.9951 1769.609       142.2622 84.54120 3.859735 91.47879 3.704163 -6.937592 
5.349615 
1 1 1 0   28  10 o 90.03497 2.821613  1724.523       104.9259 1666.442       
162.2179 1766.302       137.5822 88.65224 4.358430 91.41769 3.584702 -2.765450 
5.643226 
1 1 1 0   28  11 o 196.9299 4.271908  8296.448       353.1443 8415.794       
504.5919 8181.873       494.4068 198.3057 6.060747 195.5541 6.021971 2.751602 
8.543816 
1 1 1 0   28  12 o 81.34088 2.687385  1405.242       90.76713 1358.802       
137.7130 1440.912       120.6926 80.09779 4.095203 82.58398 3.481015 -2.486191 
5.374770 
1 1 1 0   28  13 o 67.99370 2.886970  979.0063       82.35643 984.8978       
118.8226 973.5594       114.2510 68.18029 4.151081 67.80711 4.013340 0.3731766 
5.773940 
1 1 1 0   28  14 o 124.9281 3.198862  3312.458       167.7566 3355.573       
239.5843 3270.988       234.9704 125.7207 4.539129 124.1354 4.508567 1.585304 
6.397724 
1 1 1 0   28  15 o 59.98453 3.293462  764.8716       82.78741 759.2960       
120.5542 769.8476       113.8881 59.75417 4.805463 60.21489 4.505008 
-0.4607124     6.586925 
1 1 1 0   28  16 o 62.07769 3.294925  818.3364       85.81741 843.7854       
124.1461 795.0472       118.7612 62.99522 4.694038 61.16016 4.625163 1.835056 
6.589850 
1 1 1 0   28  17 o 37.89916 4.713195  311.1897       72.89311 370.4308       
108.8276 262.9860       98.16748 41.51492 6.243899 34.28340 7.061909 7.231522 
9.426391 
1 1 1 0   28  18 o 17.42432 5.230633  -1.361922      66.29811 38.80110       
104.3528 -28.54581      85.85129 19.73607 8.021049 15.11256 6.715717 4.623511 
10.46127 
1 1 1 0   28  19 o 52.96982 3.647340  596.5917       79.83384 617.2778       
125.3311 582.4675       103.5623 53.66106 5.563148 52.27858 4.718446 1.382473 
7.294679 
1 1 1 0   28  20 o 56.64720 3.547654  711.5760       80.97912 564.6461       
124.7854 818.4690       106.4347 51.23262 5.801473 62.06179 4.084888 -10.82917 
7.095308 
1 1 1 0   28  21 f 65.19312 3.227670  893.9622       86.56160 971.5117       
139.1859 845.0495       110.5391 67.37841 4.920345 63.00784 4.178711 4.370575 
6.455340 
1 1 1 0   28  22 o 50.43548 4.990250  545.7339       105.6665 0.000000       
0.000000 545.7339       105.6665 ?        ?        50.43548 4.990250 ? ? 
1 1 1 0   28  23 o 45.38729 6.676049  451.3139       127.2133 451.3139       
127.2133 0.000000       0.000000 45.38729 6.676049 ?        ?        ? ? 
1 1 1 0   28  24 o 63.27207 3.392971  867.5287       88.42698 669.5174       
123.4134 1076.435       126.7631 55.63335 5.283822 70.91080 4.257961 -15.27745 
6.785942 
1 1 1 0   28  25 o 50.76329 3.525023  551.9824       74.59381 601.2624       
113.9891 515.0736       98.64901 52.67447 5.154474 48.85212 4.809838 3.822357 
7.050045 
1 1 1 0   28  26 f 65.20267 2.969808  914.8899       81.01399 899.7825       
119.0412 927.9237       110.5695 64.63121 4.387085 65.77414 4.004065 -1.142929 
5.939617 
1 1 1 0   28  27 o 86.06320 2.904910  1590.286       103.3352 1619.625       
161.4474 1569.926       134.4933 86.55148 4.443014 85.57493 3.743478 0.9765549 
5.809819 
1 1 1 0   28  28 o 131.8039 2.679185  3731.170       142.7891 3749.947       
236.0071 3720.327       179.3361 131.6436 4.270180 131.9642 3.236926 
-0.3205261     5.358370 
1 1 1 0   28  29 o 22.00987 5.707526  91.92303       69.90784 150.0178       
108.0910 50.14964       91.65810 25.27428 8.554836 18.74547 7.557657 6.528809 
11.41505 
1 1 1 0   28  30 o 48.26234 3.838010  507.8157       76.86940 599.7900       
120.2782 444.3113       99.94379 51.82395 5.528120 44.70073 5.325522 7.123219 
7.676021 
1 1 1 0   28  31 f 23.91734 5.856615  135.9512       71.28167 129.6280       
111.1624 140.3669       92.89436 23.71139 8.619963 24.12329 7.930700 
-0.4118977     11.71323 
1 1 1 0   28  32 o 85.86685 2.778609  1576.530       96.88358 1740.342       
161.7500 1484.878       120.9879 88.91712 4.332912 82.81659 3.479732 6.100533 
5.557217 
1 1 1 0   28  33 o 31.98018 5.603742  271.0347       74.72661 221.1376       
120.7047 302.0433       95.15398 28.65436 9.011805 35.30598 6.662962 -6.651621 
11.20748 
1 1 1 0   28  34 o 17.75570 5.130264  26.67095       70.79554 -116.6099      
114.7140 114.8136       89.97369 13.95629 6.709262 21.55511 7.763003 -7.598815 
10.26053 
1 1 1 0   28  35 o 22.76190 5.855164  140.9531       72.44332 122.2775       
117.3483 152.4531       92.08512 21.87117 8.647756 23.65263 7.896081 -1.781456 
11.71033 
1 1 1 0   29  0  o 50.16178 3.540278  534.3939       73.34547 589.7928       
116.6709 498.1935       94.31245 52.18789 5.324928 48.13567 4.666842 4.052219 
7.080555 
1 1 1 0   29  1  o 18.86962 4.960372  63.87136       53.74171 -16.93607      
103.4769 93.71880       62.88848 17.02913 7.492030 20.71011 6.503127 -3.680971 
9.920745 
1 1 1 0   29  2  o 73.53181 2.452473  1139.696       72.45929 1175.580       
122.4045 1120.338       89.90399 74.30225 3.923886 72.76136 2.943061 1.540894 
4.904945 
1 1 1 0   29  3  o 44.43433 4.009501  432.3573       70.92220 404.5480       
118.8684 447.7291       88.37595 43.10247 6.568791 45.76619 4.599498 -2.663723 
8.019002 
1 1 1 0   29  4  o 61.66730 5.688339  819.1411       147.2717 819.1411       
147.2717 0.000000       0.000000 61.66730 5.688339 ?        ?        ? ? 
1 1 1 0   29  5  o 41.09943 3.657129  366.3713       61.58684 338.3021       
96.09412 385.9379       80.23055 39.64573 5.773264 42.55313 4.490857 -2.907402 
7.314259 
1 1 1 0   29  6  f 35.17833 4.346017  262.8455       61.94389 337.4272       
97.11275 211.6868       80.43029 39.60579 5.840348 30.75087 6.437531 8.854919 
8.692035 
1 1 1 0   29  7  o 42.88165 3.609824  390.0330       63.89019 409.0893       
100.9759 377.3107       82.50549 43.68607 5.505490 42.07724 4.670428 1.608833 
7.219648 
1 1 1 0   29  8  o 35.60275 4.643341  275.8278       67.56551 334.0393       
100.3411 227.5397       91.38914 39.40348 6.065485 31.80202 7.032237 7.601461 
9.286682 
1 1 1 0   29  9  o 69.12354 2.930167  1015.010       84.88348 940.4084       
119.4383 1091.142       120.6578 66.53049 4.276060 71.71658 4.007346 -5.186096 
5.860333 
1 1 1 0   29  10 o 15.18559 4.739326  -76.14448      63.87439 42.08866       
97.23969 -165.8800      84.71418 19.38591 7.797390 10.98528 5.389394 8.400635 
9.478653 
1 1 1 0   29  11 o 82.92393 2.774737  1451.155       95.55166 1502.905       
147.4279 1413.671       125.4726 84.13890 4.173533 81.70898 3.657633 2.429924 
5.549474 
1 1 1 0   29  12 o 75.63124 2.862849  1206.266       90.55499 1296.264       
135.5065 1133.641       121.7271 78.14870 4.130089 73.11379 3.965599 5.034904 
5.725698 
1 1 1 0   29  13 o 131.4133 3.419083  3606.388       183.0527 3985.003       
303.4327 3389.755       229.5232 136.5280 5.293730 126.2986 4.328617 10.22939 
6.838165 
1 1 1 0   29  14 o 67.59401 3.083996  971.3574       87.27135 971.0436       
128.2918 971.6277       119.0647 67.55160 4.523603 67.63641 4.192986 
-0.8481598E-01 6.167992 
1 1 1 0   29  15 o 109.4207 3.017283  2553.059       137.9565 2444.919       
202.5515 2646.630       188.4146 107.1759 4.501525 111.6655 4.018987 -4.489609 
6.034566 
1 1 1 0   29  16 o 51.56693 3.756941  590.7341       77.68346 406.5033       
112.5455 758.3785       107.3598 43.41791 6.174196 59.71594 4.282256 -16.29803 
7.513881 
1 1 1 0   29  17 o 29.01469 5.619666  195.4305       71.37128 147.3513       
111.4285 228.8768       92.93763 26.20163 8.685903 31.82776 7.132859 -5.626125 
11.23933 
1 1 1 0   29  18 o 87.74947 2.820068  1648.884       102.9575 1520.825       
152.3723 1756.472       139.6640 84.50390 4.294874 90.99503 3.655844 -6.491135 
5.640136 
1 1 1 0   29  19 o 94.13192 3.007013  1841.048       114.9146 2071.786       
192.8331 1713.982       143.0997 98.44668 4.665537 89.81716 3.794902 8.629517 
6.014027 
1 1 1 0   29  20 o 65.19743 3.145571  870.9523       82.91646 1047.419       
141.9637 779.5843       102.1510 69.89760 4.837669 60.49727 4.021869 9.400326 
6.291142 
1 1 1 0   29  21 o 47.67994 3.886829  498.7100       75.14151 460.4105       
120.3835 523.1560       96.17780 45.95894 6.239044 49.40094 4.637252 -3.442001 
7.773659 
1 1 1 0   29  22 o 53.73697 3.645573  630.7319       80.49295 583.5148       
124.5651 664.5830       105.4711 51.81531 5.726108 55.65863 4.513591 -3.843315 
7.291146 
1 1 1 0   29  23 o 80.07847 2.937309  1350.641       97.54707 1519.339       
153.1086 1235.379       126.5575 84.14610 4.333978 76.01083 3.965824 8.135269 
5.874617 
1 1 1 0   29  24 o 37.28011 8.375389  328.6937       127.8779 0.000000       
0.000000 328.6937       127.8779 ?        ?        37.28011 8.375389 ? ? 
1 1 1 0   29  25 o 20.74903 6.235926  24.85580       93.90116 -2.743901      
123.2643 63.01974       144.9478 18.83524 8.232400 22.66282 9.368814 -3.827578 
12.47185 
1 1 1 0   29  26 o 54.97315 3.861570  650.4924       88.20113 559.2124       
115.5061 778.1588       136.6014 50.44591 5.453809 59.50039 5.468351 -9.054482 
7.723141 
1 1 1 0   29  27 o 30.54922 5.419528  212.4439       71.76176 327.9902       
110.7512 128.8257       94.21522 37.33069 7.327676 23.76776 7.986885 13.56293 
10.83906 
1 1 1 0   29  28 f 17.05991 5.025597  -4.372922      68.32781 -132.3173      
106.4246 85.35012       89.12173 13.47800 6.475184 20.64181 7.687554 -7.163810 
10.05119 
1 1 1 0   29  29 o 22.81238 5.738498  116.6589       71.62012 64.35725       
111.6728 153.2023       93.34562 20.43988 8.300785 25.18488 7.925807 -4.744993 
11.47700 
1 1 1 0   29  30 o 15.86079 5.046278  -23.86155      70.40350 -49.28314      
109.7875 -6.105841      91.75307 15.80485 7.247091 15.91672 7.024197 
-0.1118660     10.09256 
1 1 1 0   29  31 o 50.38602 3.945924  580.6480       82.13875 538.7480       
124.5496 612.8970       109.2682 48.37471 6.132607 52.39733 4.967133 -4.022621 
7.891849 
1 1 1 0   29  32 f 41.92275 4.023071  405.0735       70.27831 385.2246       
104.0067 421.7507       95.33553 40.71615 6.084371 43.12934 5.265056 -2.413193 
8.046142 
1 1 1 0   29  33 o 55.18446 3.760082  712.8425       85.05192 607.9549       
127.4769 796.9920       114.1815 50.82444 5.974205 59.54448 4.567466 -8.720047 
7.520164 
1 1 1 0   29  34 o 24.61946 5.919159  171.3067       76.49480 113.4897       
119.3734 211.5891       99.64080 21.56741 8.654055 27.67151 8.077941 -6.104103 
11.83832 
1 1 1 0   30  0  o 51.16242 3.757557  586.0002       78.06327 498.0840       
120.8634 648.9254       102.2521 47.48773 6.062260 54.83711 4.441390 -7.349384 
7.515114 
1 1 1 0   30  1  o 34.38515 5.008181  267.4494       68.98550 306.0532       
108.5589 241.3016       89.34454 36.36479 7.367682 32.40553 6.785630 3.959263 
10.01636 
1 1 1 0   30  2  o 96.10972 3.733356  1997.833       139.7020 2022.762       
249.4531 1986.441       168.6265 95.95409 6.192222 96.26534 4.172313 
-0.3112488     7.466713 
1 1 1 0   30  3  o 31.09190 6.895093  221.4292       87.62698 0.000000       
0.000000 221.4292       87.62698 ?        ?        31.09190 6.895093 ? ? 
1 1 1 0   30  4  o 51.17018 4.507348  573.4011       96.73022 575.4922       
133.9698 571.1235       139.8115 51.31883 6.218009 51.02153 6.526952 0.2972984 
9.014695 
1 1 1 0   30  5  o 60.95528 2.874179  792.3790       73.53471 773.1334       
102.6316 812.6815       105.4117 60.19599 4.061014 61.71458 4.068387 -1.518589 
5.748357 
1 1 1 0   30  6  o 96.57710 2.692880  1999.869       108.2011 1840.135       
159.9893 2134.511       146.8879 92.89120 4.102394 100.2630 3.489525 -7.371788 
5.385761 
1 1 1 0   30  7  o 51.59814 3.194811  566.0872       68.75497 595.5558       
104.3514 543.4800       91.39925 52.73706 4.713065 50.45923 4.314427 2.277824 
6.389621 
1 1 1 0   30  8  o 59.98554 3.101305  754.6016       75.67077 821.5632       
125.5968 716.4439       94.81046 61.93254 4.830373 58.03853 3.890997 3.894012 
6.202610 
1 1 1 0   30  9  o 26.89280 5.578863  160.6462       66.66164 186.6198       
102.0944 141.3435       88.01277 28.60749 8.121305 25.17812 7.651093 3.429373 
11.15773 
1 1 1 0   30  10 o 150.6134 3.382261  4876.706       212.1899 4625.715       
315.5181 5083.956       286.7099 146.8541 5.117517 154.3727 4.423775 -7.518631 
6.764523 
1 1 1 0   30  11 o 20.98775 5.446510  78.75826       63.35784 100.9826       
92.42765 59.05856       87.01972 22.46386 7.890156 19.51165 7.510214 2.952211 
10.89302 
1 1 1 0   30  12 o 27.22375 5.419996  168.5289       64.51933 156.7529       
96.74608 177.9613       86.58534 26.45644 8.018161 27.99106 7.294828 -1.534613 
10.83999 
1 1 1 0   30  13 o 71.01096 2.916618  1079.861       84.93842 1042.120       
134.0697 1105.166       109.7806 69.85539 4.571427 72.16652 3.623356 -2.311127 
5.833237 
1 1 1 0   30  14 o 44.02782 4.080321  408.7949       74.55291 496.9276       
115.8805 346.5530       97.38304 47.98799 5.751736 40.06764 5.789094 7.920345 
8.160642 
1 1 1 0   30  15 o 58.42220 3.252208  726.9390       79.13249 750.7628       
120.5231 708.8864       104.9140 59.20159 4.849064 57.64280 4.335205 1.558788 
6.504416 
1 1 1 0   30  16 o 54.97543 3.361782  639.3357       76.93925 708.7686       
118.5371 588.7884       101.1393 57.48578 4.911507 52.46509 4.591668 5.020695 
6.723564 
1 1 1 0   30  17 o 27.66632 5.640718  171.1850       69.70687 217.1974       
103.5077 132.9980       94.29581 30.69351 7.965084 24.63912 7.989255 6.054392 
11.28144 
1 1 1 0   30  18 o 65.42683 3.267323  920.5247       88.58051 898.0829       
135.6955 937.1890       116.9318 64.61329 5.002242 66.24036 4.204661 -1.627075 
6.534646 
1 1 1 0   30  19 o 70.52473 3.105129  1060.461       91.63508 1122.464       
136.4766 1009.562       123.6534 72.36078 4.492376 68.68867 4.287872 3.672104 
6.210257 
1 1 1 0   30  20 o 49.43521 3.772006  530.3812       77.80009 519.9825       
115.9515 538.8961       104.9249 48.90099 5.647806 49.96944 5.001441 -1.068443 
7.544012 
1 1 1 0   30  21 o 61.56659 3.313491  813.3488       84.93237 842.5015       
129.6157 791.4128       112.4335 62.43945 4.944470 60.69373 4.412380 1.745720 
6.626981 
1 1 1 0   30  22 o 45.47656 4.181305  463.9253       77.79106 386.0251       
116.7641 526.0968       104.3123 41.69704 6.669992 49.25609 5.044250 -7.559055 
8.362610 
1 1 1 0   30  23 o 88.64012 3.053025  1675.327       110.9869 1772.647       
179.0843 1614.639       141.4203 90.49155 4.713794 86.78868 3.881235 3.702873 
6.106050 
1 1 1 0   30  24 o 73.44078 3.603269  1161.482       108.9014 1101.501       
139.3172 1255.704       174.6108 71.26718 4.656250 75.61437 5.500320 -4.347191 
7.206538 
1 1 1 0   30  25 o 64.53101 3.828795  914.6585       103.2245 798.9560       
142.6266 1041.926       149.5849 60.12107 5.650605 68.94095 5.168108 -8.819881 
7.657589 
1 1 1 0   30  26 o 25.26460 9.043144  144.5019       121.9283 0.000000       
0.000000 144.5019       121.9283 ?        ?        25.26460 9.043144 ? ? 
1 1 1 0   30  27 o 24.04859 6.404393  121.4169       90.16422 73.83303       
133.0387 161.8401       122.6205 22.00882 9.019102 26.08836 9.095098 -4.079540 
12.80879 
1 1 1 0   30  28 o 28.60471 6.279756  204.7773       82.57220 194.7746       
109.0433 218.2229       126.4246 27.94427 8.521193 29.26516 9.226624 -1.320896 
12.55951 
1 1 1 0   30  29 o 20.86555 5.810144  79.12720       73.41177 103.1270       
116.7915 63.45122       94.38969 22.37768 8.682469 19.35342 7.723073 3.024258 
11.62029 
1 1 1 0   30  30 o 27.23038 5.509007  190.5191       71.40124 102.3796       
107.3624 260.4178       95.60960 21.84674 8.360152 32.61402 7.176664 -10.76728 
11.01801 
1 1 1 0   30  31 o 38.49463 4.974399  348.9568       77.70536 457.3418       
120.8669 272.5988       101.4497 44.03437 6.537877 32.95489 7.498984 11.07948 
9.948798 
1 1 1 0   30  32 o 35.51163 5.226328  340.6741       76.88061 197.4872       
116.3180 451.7512       102.4490 26.83971 8.874429 44.18354 5.522912 -17.34383 
10.45266 
1 1 1 0   30  33 o 52.71465 3.943426  655.8641       85.78361 654.5634       
133.3280 656.7830       112.0581 52.10264 6.095128 53.32667 5.005181 -1.224026 
7.886851 
1 1 1 0   31  0  o 37.40025 4.446028  317.1328       68.38297 335.6673       
99.03815 300.2454       94.53518 38.74095 6.089103 36.05954 6.480084 2.681416 
8.892056 
1 1 1 0   31  1  o 66.27773 3.198735  939.0892       88.10822 1052.297       
136.9506 859.1399       115.0890 69.55457 4.689855 63.00090 4.351192 6.553677 
6.397469 
1 1 1 0   31  2  o 41.12416 5.161584  417.0753       78.58451 316.8226       
136.9580 466.2817       95.95112 35.97860 9.064774 46.26973 4.939400 -10.29113 
10.32317 
1 1 1 0   31  3  o 18.70624 8.374104  -31.70361      135.7213 -31.70361      
135.7213 0.000000       0.000000 18.70624 8.374104 ?        ?        ? ? 
1 1 1 0   31  4  o 28.93370 6.273532  197.1390       81.79464 195.9731       
134.8655 197.8174       102.8746 28.91826 9.555806 28.94913 8.131136 
-0.3087807E-01 12.54706 
1 1 1 0   31  5  o 20.63404 5.653797  71.30685       69.43537 33.33094       
118.5606 91.13198       85.66324 20.03311 8.388980 21.23497 7.581999 -1.201864 
11.30759 
1 1 1 0   31  6  f 19.02942 5.315232  51.28202       62.98574 64.91160       
91.13025 38.81606       87.15336 19.89548 7.679812 18.16337 7.350323 1.732113 
10.63046 
1 1 1 0   31  7  o 44.56799 3.833971  437.8406       70.34421 349.1001       
100.9611 521.5640       98.06554 39.93785 6.021303 49.19812 4.747762 -9.260269 
7.667942 
1 1 1 0   31  8  o 46.06227 3.421772  450.7143       65.66821 513.5313       
100.6859 404.2130       86.62898 48.79676 4.914721 43.32778 4.762312 5.468975 
6.843544 
1 1 1 0   31  9  o 93.81064 2.490892  1874.269       97.69609 1854.019       
144.4494 1891.341       132.6321 93.28224 3.688398 94.33904 3.348715 -1.056801 
4.981784 
1 1 1 0   31  10 o 54.19311 3.373559  632.8907       76.57848 607.3694       
110.6022 656.3912       106.1326 53.08842 4.962324 55.29781 4.571536 -2.209389 
6.747118 
1 1 1 0   31  11 o 82.22406 2.912122  1444.835       100.2826 1443.734       
137.1273 1446.101       147.0323 82.24163 3.971488 82.20648 4.260177 
0.3514862E-01  5.824244 
1 1 1 0   31  12 f 20.80059 5.523673  72.49532       68.33025 15.80677       
104.4879 114.8530       90.32007 18.42795 7.803255 23.17323 7.820041 -4.745279 
11.04735 
1 1 1 0   31  13 f 58.29648 3.075846  732.4484       74.54707 688.7687       
111.4412 767.8234       100.2894 56.62006 4.688096 59.97290 3.983098 -3.352833 
6.151692 
1 1 1 0   31  14 o 66.54240 3.040813  953.6545       84.33493 888.8071       
124.2116 1009.115       114.8705 64.33767 4.598519 68.74715 3.979926 -4.409477 
6.081627 
1 1 1 0   31  15 o 33.40672 5.540232  263.0233       76.01677 229.3473       
116.8603 287.7255       100.0863 31.25875 8.627436 35.55468 6.952989 -4.295931 
11.08046 
1 1 1 0   31  16 o 40.88173 4.242733  362.4413       72.54394 403.3711       
108.1307 328.9406       97.82668 42.96623 5.994361 38.79722 6.005895 4.169006 
8.485466 
1 1 1 0   31  17 o 37.10558 4.720178  304.7897       71.51492 369.6844       
107.3584 253.0234       95.88589 41.03533 6.231596 33.17583 7.091369 7.859493 
9.440355 
1 1 1 0   31  18 o 83.83704 3.111753  1512.555       108.0350 1497.916       
166.5289 1523.193       141.9635 83.32034 4.760577 84.35374 4.008608 -1.033401 
6.223506 
1 1 1 0   31  19 o 83.09294 3.021352  1478.783       103.2695 1507.286       
163.8403 1459.995       133.0198 83.56918 4.669772 82.61671 3.835037 0.9524612 
6.042705 
1 1 1 0   31  20 o 30.60351 6.179788  221.5466       82.73412 243.8010       
126.5053 204.9142       109.3648 31.81650 9.042761 29.39051 8.425414 2.425987 
12.35958 
1 1 1 0   31  21 o 26.00485 5.698114  160.5191       72.35355 87.21458       
115.1003 208.4099       93.03307 22.23811 8.621222 29.77160 7.453091 -7.533489 
11.39623 
1 1 1 0   31  22 o 26.62537 6.111197  162.1469       77.41409 195.7557       
120.1349 138.2809       101.2353 28.57397 8.991301 24.67676 8.279097 3.897213 
12.22239 
1 1 1 0   31  23 o 48.92879 4.802403  517.1303       96.45075 414.1512       
122.5726 684.5729       156.2974 42.79834 6.821621 55.05925 6.761494 -12.26091 
9.604807 
1 1 1 0   31  24 o 22.35341 6.185857  84.03967       88.67897 141.0683       
115.9600 3.708427       137.6272 24.95627 8.830390 19.75056 8.665075 5.205711 
12.37171 
1 1 1 0   31  25 o 59.38147 4.158404  770.3159       102.4155 651.2251       
133.5129 940.5730       159.6381 53.92916 5.896858 64.83379 5.864841 -10.90463 
8.316809 
1 1 1 0   31  26 o 19.60650 5.880800  -5.819427      89.19794 -101.1881      
118.3121 119.7753       135.7726 15.13167 7.125144 24.08132 9.357755 -8.949646 
11.76160 
1 1 1 0   31  27 o 44.99677 5.219098  479.0229       95.83296 412.5529       
131.5498 554.1896       139.8910 41.09111 7.907588 48.90244 6.813660 -7.811329 
10.43820 
1 1 1 0   31  28 o 30.08948 9.339336  237.9691       130.2086 0.000000       
0.000000 237.9691       130.2086 ?        ?        30.08948 9.339336 ? ? 
1 1 1 0   31  29 o 18.11315 5.730453  -12.99783      90.91740 -61.59048      
132.2560 30.53999       125.1882 16.87743 7.823431 19.34888 8.375338 -2.471449 
11.46091 
1 1 1 0   31  30 o 39.80627 5.497574  396.7816       88.26209 371.7605       
118.6531 427.7784       132.0641 38.51798 7.608095 41.09456 7.937894 -2.576584 
10.99515 
1 1 1 0   31  31 o 18.16132 5.345745  37.88464       72.67082 -49.35725      
113.1594 99.11926       94.80395 15.57152 7.225189 20.75113 7.880648 -5.179610 
10.69149 
1 1 1 0   31  32 o 26.93752 5.718783  207.2756       75.54893 119.9699       
116.5470 270.5484       99.21759 21.88057 8.628704 31.99446 7.507555 -10.11390 
11.43757 
1 1 1 0   31  33 o 34.44826 5.634352  328.9406       79.68428 294.6016       
121.4249 354.9150       105.6052 31.83765 8.797437 37.05886 7.041931 -5.221210 
11.26870 
1 1 1 0   32  0  o 58.07629 3.137738  745.5005       75.46239 799.0680       
101.3633 678.8964       113.0267 60.67205 3.979360 55.48053 4.852453 5.191517 
6.275477 
1 1 1 0   32  1  o 22.87222 5.664330  117.6826       67.32757 106.3917       
93.79277 129.6855       96.70512 22.07869 7.928578 23.66575 8.091734 -1.587065 
11.32866 
1 1 1 0   32  2  o 38.39933 6.893672  345.0744       107.1002 0.000000       
0.000000 345.0744       107.1002 ?        ?        38.39933 6.893672 ? ? 
1 1 1 0   32  3  o 38.15441 9.391581  365.5902       149.6257 365.5902       
149.6257 0.000000       0.000000 38.15441 9.391581 ?        ?        ? ? 
1 1 1 0   32  4  o 21.66380 6.087955  74.17886       79.75005 102.1341       
133.6099 58.70681       99.39867 23.55650 9.254890 19.77110 7.912004 3.785400 
12.17591 
1 1 1 0   32  5  o 84.34633 4.014408  1563.507       130.4454 1589.349       
236.9888 1552.274       156.2440 84.00885 6.719298 84.68382 4.394648 
-0.6749649     8.028816 
1 1 1 0   32  6  o 17.64882 5.275657  7.279360       69.72916 -46.15888      
97.95226 62.18176       99.28509 15.25704 6.943403 20.04059 7.944771 -4.783559 
10.55131 
1 1 1 0   32  7  o 33.18973 5.058484  263.6794       69.33190 188.4583       
105.2645 321.3138       92.14102 28.17970 8.327332 38.19977 5.745309 -10.02007 
10.11697 
1 1 1 0   32  8  o 92.54880 2.738285  1836.666       106.3753 1837.475       
151.9728 1835.890       148.9475 92.54917 3.911240 92.54842 3.833409 
0.7476807E-03  5.476571 
1 1 1 0   32  9  o 79.27381 2.930781  1351.677       97.46751 1321.391       
139.5293 1380.541       136.2104 78.36234 4.241105 80.18528 4.046101 -1.822937 
5.861561 
1 1 1 0   32  10 o 139.2003 3.272200  4191.462       185.1636 4166.145       
301.1833 4206.846       234.7728 138.3559 5.185069 140.0448 3.993022 -1.688980 
6.544399 
1 1 1 0   32  11 o 64.04593 3.061351  888.6379       81.64766 822.9422       
120.4219 944.5337       111.0777 61.72034 4.647275 66.37152 3.986265 -4.651184 
6.122702 
1 1 1 0   32  12 o 80.12224 2.952643  1390.626       97.94592 1298.084       
148.3846 1462.080       130.3870 77.56561 4.556596 82.67888 3.756305 -5.113274 
5.905286 
1 1 1 0   32  13 o 55.60470 3.459442  669.5942       80.06390 672.0884       
121.4361 667.6763       106.4860 55.58258 5.203916 55.62682 4.559630 
-0.4423523E-01 6.918884 
1 1 1 0   32  14 o 82.15113 2.971078  1442.387       101.7600 1517.960       
154.7500 1384.813       135.0700 83.94804 4.390774 80.35423 4.003789 3.593811 
5.942156 
1 1 1 0   32  15 o 50.13480 3.823992  543.8331       79.44368 579.8603       
124.1664 518.8628       103.3713 51.39951 5.753951 48.87011 5.038225 2.529400 
7.647984 
1 1 1 0   32  16 o 49.94596 3.635921  537.0861       75.46729 584.9965       
117.0223 502.9733       98.74432 51.74417 5.386767 48.14775 4.884917 3.596424 
7.271841 
1 1 1 0   32  17 o 30.41981 5.125381  223.6374       68.08871 132.0919       
103.9386 292.4555       90.11758 24.41976 8.386999 36.41986 5.893757 -12.00010 
10.25076 
1 1 1 0   32  18 f 68.14888 3.243402  1014.777       91.88248 894.1937       
133.5618 1123.119       126.6004 64.09167 4.963657 72.20609 4.176209 -8.114418 
6.486803 
1 1 1 0   32  19 o 31.69781 5.524929  238.0174       72.91883 256.5691       
108.5432 222.7583       98.44099 32.77211 7.957333 30.62351 7.666827 2.148598 
11.04986 
1 1 1 0   32  20 o 23.60539 5.878875  121.5284       74.67932 69.83210       
115.0549 159.1638       98.16875 21.22829 8.505176 25.98249 8.118293 -4.754194 
11.75775 
1 1 1 0   32  21 o 60.60326 3.516240  788.3964       88.20642 896.4298       
139.6166 716.6315       113.7925 63.87247 5.206483 57.33405 4.727399 6.538418 
7.032480 
1 1 1 0   32  22 o 22.75795 5.479221  61.88556       80.61850 -114.2057      
114.5557 234.6720       113.4756 14.61263 6.929479 30.90328 8.489391 -16.29065 
10.95844 
1 1 1 0   32  23 o 93.77692 3.567753  1920.484       139.6298 1792.346       
185.5797 2087.665       211.9749 90.33362 4.893303 97.22022 5.193365 -6.886604 
7.135507 
1 1 1 0   32  24 o 65.53222 3.970288  947.4296       107.7594 886.6027       
139.6680 1036.894       169.3848 63.21045 5.262947 67.85400 5.945934 -4.643551 
7.940576 
1 1 1 0   32  25 f 36.54617 6.214879  323.8000       95.20168 225.1084       
123.6210 467.6347       149.2395 29.68021 9.077410 43.41212 8.491142 -13.73191 
12.42976 
1 1 1 0   32  26 o 23.98546 5.879349  98.10324       92.81377 258.2321       
122.2742 -119.5876      142.5673 31.65117 8.856500 16.31975 7.734946 15.33142 
11.75870 
1 1 1 0   32  27 o 46.10656 5.543168  489.4401       101.3743 332.9118       
128.6271 746.0692       164.6983 35.97795 8.616452 56.23516 6.975930 -20.25721 
11.08634 
1 1 1 0   32  28 o 25.87658 6.611009  171.4498       91.91316 171.4204       
122.9125 171.4870       138.4378 25.82726 9.096028 25.92590 9.596042 
-0.9864235E-01 13.22202 
1 1 1 0   32  29 o 21.14110 6.084929  65.11357       91.75999 161.9227       
128.1644 -36.69758      131.4338 25.01754 9.238467 17.26466 7.921880 7.752874 
12.16986 
1 1 1 0   32  30 o 42.42578 12.41622  618.7693       235.1172 0.000000       
0.000000 618.7693       235.1172 ?        ?        42.42578 12.41622 ? ? 
1 1 1 0   32  31 o 23.94064 6.055933  96.85168       91.01641 323.2263       
143.0939 -56.96247      117.9520 32.50411 9.731523 15.37717 7.210741 17.12695 
12.11187 
1 1 1 0   33  0  o 17.37566 4.721962  -72.42105      65.35833 -257.2831      
87.57056 160.0496       98.20155 9.466058 4.773878 25.28525 8.148484 -15.81920 
9.443924 
1 1 1 0   33  1  o 27.85527 6.171856  200.8960       81.27001 165.0615       
127.4351 225.4609       105.5106 25.84711 9.245755 29.86344 8.178218 -4.016331 
12.34371 
1 1 1 0   33  2  o 27.09021 8.088747  182.3383       98.95045 0.000000       
0.000000 182.3383       98.95045 ?        ?        27.09021 8.088747 ? ? 
1 1 1 0   33  3  o 31.46141 6.413572  246.1433       85.87357 279.5557       
148.3719 229.3132       105.3031 32.53887 9.943270 30.38396 8.103518 2.154905 
12.82714 
1 1 1 0   33  4  o 67.40222 3.957453  974.5803       103.1495 1124.649       
191.6315 913.3636       122.3931 70.18870 6.503104 64.61574 4.511695 5.572960 
7.914907 
1 1 1 0   33  5  o 51.73878 4.816533  621.4752       99.61858 581.4664       
164.2410 644.7604       125.2979 49.67018 7.876022 53.80739 5.546551 -4.137207 
9.633066 
1 1 1 0   33  6  o 55.61591 4.636214  719.8298       101.6143 640.2800       
169.7265 764.2733       126.8627 52.34562 7.723079 58.88619 5.131468 -6.540577 
9.272428 
1 1 1 0   33  7  o 17.23853 5.356866  -7.209189      73.69254 12.21816       
115.5400 -20.53200      95.68049 18.61182 8.051072 15.86525 7.068543 2.746563 
10.71373 
1 1 1 0   33  8  o 42.46291 4.597936  405.6564       81.74030 449.2943       
118.7238 366.3294       112.7072 44.70745 6.325269 40.21836 6.674954 4.489098 
9.195871 
1 1 1 0   33  9  o 85.64856 2.926421  1587.765       104.7990 1556.678       
154.4050 1614.318       142.7022 84.74767 4.339650 86.54945 3.927239 -1.801788 
5.852843 
1 1 1 0   33  10 o 49.10478 3.598840  519.2643       73.54547 616.3395       
112.6458 447.1400       97.09597 53.04885 5.057780 45.16071 5.121079 7.888142 
7.197679 
1 1 1 0   33  11 o 41.88556 4.251543  390.9485       74.61289 381.1492       
108.0429 399.8826       103.1633 41.29470 6.231936 42.47642 5.784931 -1.181717 
8.503085 
1 1 1 0   33  12 o 34.61866 5.165876  283.4701       74.00975 219.0882       
107.2912 341.9141       102.2238 30.11417 8.246961 39.12315 6.223565 -9.008980 
10.33175 
1 1 1 0   33  13 o 60.34742 3.291080  803.2827       81.68275 721.3811       
124.6333 864.9496       108.1468 57.36494 5.174978 63.32990 4.067484 -5.964954 
6.582160 
1 1 1 0   33  14 o 20.86248 5.680105  78.62943       70.18313 69.66484       
102.4587 86.55398       96.33219 20.53581 8.092928 21.18915 7.972383 
-0.6533432     11.36021 
1 1 1 0   33  15 f 46.13066 3.964769  481.9707       74.54888 396.9879       
112.5010 548.5011       99.54071 42.07708 6.368423 50.18425 4.724484 -8.107162 
7.929537 
1 1 1 0   33  16 o 52.20517 3.692831  584.7256       79.37553 771.9792       
121.8688 446.7633       104.6062 59.44257 4.883328 44.96777 5.540858 14.47480 
7.385662 
1 1 1 0   33  17 o 45.49254 4.209079  466.3111       79.34994 411.5291       
116.7306 513.3708       108.1909 42.72163 6.508155 48.26345 5.339411 -5.541813 
8.418159 
1 1 1 0   33  18 o 20.31623 5.667734  58.15409       72.26257 114.7154       
110.3412 15.67696       95.62152 23.26522 8.575263 17.36724 7.413347 5.897984 
11.33547 
1 1 1 0   33  19 o 56.61271 3.535154  697.8459       82.69543 739.5135       
130.3650 669.7905       106.9721 57.82022 5.370347 55.40521 4.598762 2.415009 
7.070307 
1 1 1 0   33  20 o 40.69907 4.783113  385.5871       78.97340 352.9680       
116.6174 413.2177       107.3302 38.48354 7.484992 42.91459 5.957144 -4.431057 
9.566225 
1 1 1 0   33  21 o 50.38023 4.103818  574.3956       85.45866 531.1177       
129.3220 607.9445       113.8623 48.34942 6.370921 52.41103 5.174619 -4.061607 
8.207637 
1 1 1 0   33  22 o 30.30165 6.430693  225.3046       89.49043 163.8267       
118.3412 307.4158       136.7659 26.00715 8.947588 34.59615 9.238827 -8.588993 
12.86139 
1 1 1 0   33  23 o 56.84174 4.355967  730.2795       103.5329 670.1935       
139.0959 804.9226       155.0324 54.28125 6.103591 59.40224 6.216427 -5.120991 
8.711933 
1 1 1 0   33  24 o 24.27581 6.523141  133.6867       93.22704 164.9796       
117.4423 80.37302       153.2926 25.82380 8.910727 22.72781 9.529136 3.095991 
13.04628 
1 1 1 0   33  25 o 93.80304 3.687458  1968.736       143.0076 1943.228       
186.4911 2005.146       222.8066 93.58519 4.746485 94.02090 5.644489 
-0.4357071     7.374916 
1 1 1 0   33  26 o 22.34624 6.292929  98.94346       91.18562 143.3551       
121.8327 42.37897       137.4951 24.33108 9.002879 20.36140 8.794998 3.969683 
12.58586 
1 1 1 0   33  27 o 39.98403 5.436971  430.9485       100.4774 778.6454       
142.2095 84.35416       141.9839 58.06441 5.833641 21.90365 9.176668 36.16076 
10.87394 
1 1 1 0   33  28 o 16.24117 5.379956  -68.95203      91.78509 -78.94778      
123.2021 -56.48448      137.5946 15.50810 7.293194 16.97425 7.911070 -1.466151 
10.75991 
1 1 1 0   33  29 o 36.85481 5.927942  386.1322       98.53455 563.9689       
137.0552 195.8715       141.7618 47.77259 6.833414 25.93703 9.688469 21.83557 
11.85588 
1 1 1 0   33  30 o 31.90210 6.546237  311.4957       97.49667 387.1800       
132.9558 223.4565       143.3977 36.99273 8.697450 26.81147 9.786073 10.18126 
13.09247 
1 1 1 0   34  0  o 22.90049 5.627161  131.2251       68.37310 171.2799       
94.13371 86.49525       99.47561 25.56765 7.941902 20.23334 7.974080 5.334309 
11.25432 
1 1 1 0   34  1  o 22.20919 6.061865  110.3452       79.05016 124.9947       
124.6857 100.4993       102.2196 23.13049 8.971819 21.28789 8.154221 1.842604 
12.12373 
1 1 1 0   34  2  o 24.88071 9.189900  154.0101       126.8340 154.0101       
126.8340 0.000000       0.000000 24.88071 9.189900 ?        ?        ? ? 
1 1 1 0   34  3  o 32.36800 6.185971  253.8861       85.30550 377.6119       
141.4546 183.1722       106.9398 37.98029 8.997857 26.75571 8.491380 11.22458 
12.37194 
1 1 1 0   34  4  o 63.73942 4.180944  866.4394       104.7440 1110.501       
192.2703 763.4380       124.9061 69.03571 6.633754 58.44312 5.090628 10.59259 
8.361889 
1 1 1 0   34  5  o 45.98071 5.337866  536.7256       91.63786 417.1209       
153.5081 602.9460       114.2229 40.04177 9.301198 51.91965 5.240133 -11.87788 
10.67573 
1 1 1 0   34  6  o 22.75261 6.430409  94.25732       90.54572 131.1477       
147.3076 71.85552       114.7916 24.69272 9.712497 20.81249 8.430188 3.880224 
12.86082 
1 1 1 0   34  7  o 18.43813 5.434742  18.56083       73.15905 94.18684       
108.5038 -44.47911      99.06435 21.72412 8.381145 15.15214 6.921135 6.571986 
10.86948 
1 1 1 0   34  8  o 20.88796 5.631767  53.36150       80.78275 -89.91369      
121.2357 167.7724       108.3375 15.60270 7.315404 26.17323 8.564583 -10.57053 
11.26353 
1 1 1 0   34  9  o 28.29247 6.115834  198.4552       80.46905 239.2969       
114.5906 158.7209       113.0264 30.90548 8.549088 25.67945 8.747960 5.226028 
12.23167 
1 1 1 0   34  10 o 49.75627 4.362868  569.9293       89.15421 483.5999       
132.7820 640.7973       120.3055 45.80892 6.904150 53.70362 5.335841 -7.894699 
8.725737 
1 1 1 0   34  11 o 56.68304 3.326234  685.8840       78.04788 862.1955       
121.7369 562.8378       101.6989 62.74585 4.621236 50.62023 4.785343 12.12563 
6.652468 
1 1 1 0   34  12 o 44.91634 4.129771  444.6850       76.48660 576.2115       
115.7628 342.7817       101.8960 50.91426 5.415653 38.91841 6.236243 11.99585 
8.259542 
1 1 1 0   34  13 o 47.06338 4.185554  510.6995       80.05608 408.0101       
119.7706 593.6293       107.6324 42.19982 6.760218 51.92694 4.937095 -9.727119 
8.371108 
1 1 1 0   34  14 f 60.73557 3.361509  817.6693       83.80527 764.1890       
130.3087 855.3925       109.4409 58.71285 5.286414 62.75829 4.153649 -4.045441 
6.723018 
1 1 1 0   34  15 o 65.52381 3.237579  909.5342       87.55145 1118.193       
140.3138 776.5004       112.0373 71.42225 4.679376 59.62537 4.475614 11.79688 
6.475159 
1 1 1 0   34  16 o 62.59402 3.216353  860.7369       83.75466 827.5764       
125.6442 887.2561       112.3599 61.31195 4.881107 63.87608 4.189810 -2.564125 
6.432707 
1 1 1 0   34  17 o 14.41250 4.756606  -91.81657      70.92818 -18.20594      
108.5513 -146.6580      93.69557 16.84232 7.515711 11.98268 5.832263 4.859644 
9.513212 
1 1 1 0   34  18 o 34.56405 5.300400  273.7383       77.47932 428.4131       
120.3575 164.2802       101.2482 43.18857 6.637817 25.93954 8.265369 17.24904 
10.60080 
1 1 1 0   34  19 o 28.92312 5.659954  197.7301       71.41182 275.2702       
112.2850 145.0645       92.53835 33.30459 8.097513 24.54166 7.910156 8.762930 
11.31991 
1 1 1 0   34  20 o 25.97104 5.900498  167.9019       74.24609 131.4292       
113.4244 195.2466       98.21077 23.90477 8.705558 28.03730 7.967233 -4.132532 
11.80100 
1 1 1 0   34  21 o 20.34474 5.932336  14.59608       87.58448 -84.63954      
114.2207 156.2135       136.4487 15.11110 7.087737 25.57837 9.514958 -10.46727 
11.86467 
1 1 1 0   34  22 o 51.56168 4.541830  619.2683       97.38072 667.8868       
133.2145 563.4722       142.7095 54.15180 5.859489 48.97156 6.941129 5.180244 
9.083660 
1 1 1 0   34  23 o 23.40561 6.388909  122.2231       89.00323 131.1853       
122.9489 112.3556       129.0087 23.79956 8.993192 23.01165 9.077177 0.7879181 
12.77782 
1 1 1 0   34  24 o 56.21372 4.288570  739.2820       99.51701 817.6058       
134.9812 646.0085       147.3010 60.09029 5.350447 52.33714 6.703734 7.753151 
8.577140 
1 1 1 0   34  25 o 18.51054 5.890738  -5.121899      95.95451 -1.689021      
140.3628 -8.133725      131.4733 18.85100 8.475147 18.17008 8.183828 0.6809196 
11.78148 
1 1 1 0   34  26 o 18.12754 5.746311  -44.23299      93.61096 -148.1760      
123.0000 98.84816       144.3108 13.99211 6.773268 22.26297 9.284568 -8.270863 
11.49262 
1 1 1 0   34  27 o 36.01343 6.236190  371.1480       96.13499 455.0993       
130.3945 271.1743       142.2944 41.92622 7.695253 30.10064 9.815464 11.82557 
12.47238 
1 1 1 0   34  28 o 81.57745 5.430002  1650.096       164.5220 1555.789       
191.7981 1912.741       320.0789 81.00974 5.639338 82.14515 9.281032 -1.135406 
10.86000 
1 1 1 0   34  29 o 50.52649 5.765783  701.7367       111.3967 1010.388       
159.6253 408.7130       155.5318 64.76055 5.871002 36.29243 9.925137 28.46812 
11.53157 
1 1 1 0   35  0  o 20.43671 5.253622  96.99758       66.18685 167.8559       
87.46571 2.058302       101.2431 24.81955 7.644572 16.05388 7.208516 8.765669 
10.50724 
1 1 1 0   35  1  o 19.65345 5.453074  32.16879       81.16390 -141.1064      
117.3853 190.8876       112.3466 13.47232 6.548094 25.83457 8.721614 -12.36225 
10.90615 
1 1 1 0   35  2  o 34.81940 8.952419  341.2678       131.5776 341.2678       
131.5776 0.000000       0.000000 34.81940 8.952419 ?        ?        ? ? 
1 1 1 0   35  3  o 49.06168 4.370761  556.4640       88.39124 645.8947       
142.2295 500.1889       112.8247 51.86829 6.531436 46.25505 5.809866 5.613239 
8.741522 
1 1 1 0   35  4  f 24.54545 6.298057  155.2678       82.87684 139.8691       
137.6282 164.0284       103.8087 23.98760 9.400866 25.10331 8.383663 -1.115713 
12.59611 
1 1 1 0   35  5  o 82.35243 3.813304  1547.740       124.6280 1529.334       
212.0798 1557.449       154.0295 80.87854 6.245785 83.82632 4.376678 -2.947784 
7.626607 
1 1 1 0   35  6  o 27.99200 6.502151  211.3840       91.38753 151.6371       
140.7647 254.9142       120.1521 24.94788 9.565208 31.03611 8.810146 -6.088234 
13.00430 
1 1 1 0   35  7  o 15.20065 5.111038  -107.5735      87.56232 -130.8139      
139.7729 -92.56106      112.3383 15.74865 7.530717 14.65265 6.912246 1.096001 
10.22208 
1 1 1 0   35  8  o 92.23162 3.287392  1854.125       123.5248 2016.191       
203.7734 1759.975       155.3143 94.84898 5.117242 89.61426 4.128149 5.234726 
6.574783 
1 1 1 0   35  9  o 21.46323 5.955002  90.46494       79.22814 116.3020       
107.7140 60.00945       116.9455 22.70478 8.452345 20.22168 8.390833 2.483097 
11.91000 
1 1 1 0   35  10 o 26.26880 6.148148  173.0177       80.25854 209.0281       
112.2314 135.3282       114.8182 28.55204 8.632610 23.98556 8.756537 4.566483 
12.29630 
1 1 1 0   35  11 o 28.61358 5.908496  197.0132       85.31014 334.4458       
122.5233 67.68906       118.8539 36.50867 8.195437 20.71850 8.513291 15.79017 
11.81699 
1 1 1 0   35  12 o 61.29903 3.759736  846.1511       95.88791 968.3051       
135.5814 723.9084       135.6306 66.04801 4.889466 56.55005 5.712756 9.497967 
7.519472 
1 1 1 0   35  13 o 62.00595 3.296120  827.1898       84.25039 965.3683       
135.6969 740.5116       107.4743 65.94999 4.900905 58.06191 4.408941 7.888077 
6.592240 
1 1 1 0   35  14 o 54.74523 3.796976  669.8392       87.08973 715.3134       
128.2591 630.9363       118.6306 56.43375 5.413403 53.05671 5.325710 3.377045 
7.593952 
1 1 1 0   35  15 f 60.89829 3.392677  807.5885       85.99216 942.5840       
132.3283 708.9100       113.1369 65.20455 4.833880 56.59204 4.761789 8.612514 
6.785354 
1 1 1 0   35  16 o 61.75940 3.387969  847.3889       86.89174 829.1737       
131.9186 861.3477       115.4822 60.91225 5.158487 62.60655 4.393556 -1.694298 
6.775937 
1 1 1 0   35  17 o 87.10199 3.057296  1640.543       108.7186 1776.055       
178.2904 1560.328       137.1727 89.53040 4.743277 84.67359 3.858698 4.856804 
6.114592 
1 1 1 0   35  18 o 25.24476 5.928826  159.6006       75.65479 111.7740       
115.0564 196.0300       100.4158 22.64103 8.657310 27.84849 8.102772 -5.207460 
11.85765 
1 1 1 0   35  19 o 23.32123 5.666794  106.7561       71.20695 220.1890       
112.9281 31.88891       91.74409 29.17164 8.626616 17.47081 7.350627 11.70082 
11.33359 
1 1 1 0   35  20 f 29.12019 6.041498  216.3981       79.76947 275.6462       
118.0906 166.6759       108.1817 32.60465 8.529488 25.63574 8.558424 6.968908 
12.08300 
1 1 1 0   35  21 o 83.85210 3.315410  1564.095       116.6196 1612.223       
169.1614 1520.504       160.9918 85.02818 4.738702 82.67603 4.638155 2.352158 
6.630820 
1 1 1 0   35  22 o 46.42695 5.313526  530.3726       100.0740 529.8392       
132.8049 531.0734       152.2266 47.24209 6.695858 45.61180 8.252255 1.630287 
10.62705 
1 1 1 0   35  23 o 76.56146 3.726091  1338.160       119.3273 1469.950       
169.5828 1208.915       167.9377 80.58996 5.012125 72.53297 5.514853 8.056992 
7.452181 
1 1 1 0   35  24 o 30.03910 6.586203  251.8408       92.11730 206.7558       
123.9736 307.4162       137.6432 27.23623 9.161814 32.84197 9.464325 -5.605742 
13.17241 
1 1 1 0   35  25 o 21.80159 6.183427  107.6279       87.72349 151.8572       
125.1421 64.89634       123.0050 23.80585 9.050266 19.79732 8.428034 4.008526 
12.36685 
1 1 1 0   35  26 o 26.82062 6.689412  214.7727       95.03050 258.7859       
135.8564 172.6055       132.9767 29.11433 9.590845 24.52691 9.327840 4.587425 
13.37882 
1 1 1 0   35  27 o 16.16427 5.372501  -60.46151      92.91448 -99.76396      
125.9023 -13.45553      137.6893 14.80232 7.094748 17.52623 8.069673 -2.723915 
10.74500 
1 1 1 0   36  3  o 20.11950 5.802813  87.63773       80.11304 32.92665       
122.8699 128.0968       105.6613 18.25414 8.082685 21.98485 8.328310 -3.730703 
11.60563 
1 1 1 0   36  4  o 20.28670 5.987051  82.63718       84.03210 115.9558       
130.2523 58.88214       109.9814 21.79818 8.927025 18.77522 7.980435 3.022963 
11.97410 
1 1 1 0   36  5  o 24.46159 6.233145  167.8122       83.07243 135.0234       
126.3996 192.7440       110.2197 22.80141 8.987873 26.12176 8.638664 -3.320351 
12.46629 
1 1 1 0   36  6  o 49.04986 4.656357  567.2963       94.32578 721.3954       
149.0316 464.3089       121.8344 54.50450 6.512788 43.59523 6.656593 10.90927 
9.312714 
1 1 1 0   36  7  o 39.62085 5.626356  408.2437       91.66338 503.7754       
130.7922 316.0294       128.5013 45.45096 6.854250 33.79074 8.924279 11.66022 
11.25271 
1 1 1 0   36  8  o 32.12347 5.830118  278.9516       81.19469 343.4270       
111.3127 205.6396       118.6958 36.84602 7.456251 27.40091 8.964676 9.445103 
11.66024 
1 1 1 0   36  9  o 75.08391 3.591354  1280.057       111.2800 1287.673       
145.3199 1269.259       173.0294 75.89610 4.560648 74.27171 5.549036 1.624382 
7.182709 
1 1 1 0   36  10 o 25.20430 6.100956  160.1979       80.15202 104.8950       
111.0322 220.3767       115.8236 21.76339 8.461242 28.64521 8.791703 -6.881823 
12.20191 
1 1 1 0   36  11 o 23.80536 6.374042  136.4347       89.27817 95.65520       
132.5755 170.2727       120.7660 22.04459 9.013495 25.56612 9.015018 -3.521536 
12.74808 
1 1 1 0   36  12 o 23.80346 6.400158  135.5930       88.51694 151.1929       
127.1696 120.9317       123.2845 24.61839 9.180182 22.98854 8.920335 1.629847 
12.80032 
1 1 1 0   36  13 o 67.09326 3.727299  1020.835       104.7306 935.7306       
146.9936 1108.577       149.2551 64.06593 5.465026 70.12058 5.069962 -6.054649 
7.454598 
1 1 1 0   36  14 o 16.43418 5.306266  -33.53258      81.60847 -20.44051      
111.3623 -48.71861      119.9378 16.57499 7.495003 16.29338 7.513373 0.2816105 
10.61253 
1 1 1 0   36  15 o 18.47412 5.517846  37.51625       74.28079 68.95739       
106.0614 7.247684       104.0649 19.86708 8.082368 17.08115 7.514109 2.785927 
11.03569 
1 1 1 0   36  16 f 23.08877 6.114760  118.6855       79.51105 173.9012       
125.4847 81.64621       102.7759 25.82014 9.180859 20.35740 8.079172 5.462748 
12.22952 
1 1 1 0   36  17 o 22.79547 5.713367  77.87840       75.81482 248.7681       
124.5577 -22.69316      95.55428 30.27302 9.082565 15.31791 6.933777 14.95511 
11.42673 
1 1 1 0   36  18 f 41.15566 4.948566  415.0575       81.36117 393.1974       
126.7068 430.3948       106.1321 39.23411 7.969632 43.07722 5.868406 -3.843105 
9.897132 
1 1 1 0   36  19 o 33.62165 5.536703  279.4835       77.43252 403.8466       
121.1752 193.6540       100.6668 40.10815 7.474661 27.13514 8.170053 12.97301 
11.07341 
1 1 1 0   36  20 o 40.88179 5.067823  413.6061       84.85717 377.6532       
119.1964 450.5530       120.8327 38.48440 7.649042 43.27919 6.650074 -4.794785 
10.13565 
1 1 1 0   36  21 o 23.72860 6.281130  146.6899       84.90563 162.8123       
116.9042 128.6917       123.5180 24.61917 8.850607 22.83803 8.914995 1.781141 
12.56226 
1 1 1 0   36  22 o 64.00723 4.122958  969.4200       110.6907 959.9985       
153.0717 979.7468       160.2559 63.82714 5.712294 64.18732 5.946834 
-0.3601761     8.245915 
1 1 1 0   36  23 o 20.35626 6.116496  55.38823       94.33498 -27.76821      
126.4584 159.7240       141.6499 16.71459 7.710386 23.99793 9.497159 -7.283344 
12.23299 
1 1 1 0   36  24 o 23.37974 6.506085  150.6037       94.50857 177.8295       
130.9992 121.0522       136.4798 24.67567 9.294372 22.08382 9.106660 2.591846 
13.01217 
1 1 1 0   36  25 o 19.68103 5.968698  69.82571       88.47279 57.53093       
125.4346 81.99771       124.8066 19.22140 8.352732 20.14067 8.528381 
-0.9192696     11.93740 
1 1 1 0   37  7  o 50.77622 5.084012  643.3349       106.7244 816.3786       
165.7357 520.7476       139.4957 56.75058 6.956116 44.80186 7.416276 11.94872 
10.16802 
1 1 1 0   37  8  o 21.66689 6.093945  63.80564       92.15964 250.0851       
144.1286 -65.03722      119.8665 28.10339 9.854526 15.23040 7.171678 12.87299 
12.18789 
1 1 1 0   37  9  o 24.97498 6.246385  177.7070       84.23811 125.0676       
120.8141 227.5115       117.5157 22.07481 8.759907 27.87515 8.906925 -5.800341 
12.49277 
1 1 1 0   37  10 o 33.34751 6.109841  316.5638       90.37637 210.8124       
125.8922 429.0190       129.8213 26.70063 9.224520 39.99440 8.014293 -13.29377 
12.21968 
1 1 1 0   37  11 o 37.75082 5.849159  387.4268       90.17888 407.7229       
128.4897 367.7245       126.5958 38.91465 8.129177 36.58699 8.412319 2.327652 
11.69832 
1 1 1 0   37  12 o 31.45101 6.615781  291.8923       93.94595 305.5405       
130.0990 277.0208       135.8038 32.48090 9.150697 30.42112 9.557143 2.059780 
13.23156 
1 1 1 0   37  13 f 42.42624 5.490085  467.4740       95.70271 499.9051       
137.5368 437.0316       133.2530 44.38914 7.380117 40.46333 8.130068 3.925804 
10.98017 
1 1 1 0   37  14 o 18.00241 5.486640  -30.13688      87.34789 -199.9352      
123.7719 138.3326       123.2867 12.96364 6.384690 23.04117 8.924607 -10.07754 
10.97328 
1 1 1 0   37  15 o 53.49983 4.600219  694.5409       103.0036 772.3055       
150.9275 626.7426       140.9247 56.44488 6.368908 50.55478 6.639659 5.890099 
9.200438 
1 1 1 0   37  16 o 25.23468 6.498021  181.1772       89.80790 163.6180       
130.3283 197.0542       123.9284 24.31069 9.237733 26.15867 9.141192 -1.847986 
12.99604 
1 1 1 0   37  17 o 38.81210 5.127850  381.7612       80.50245 399.6797       
125.5126 369.2382       104.9281 38.70571 7.996239 38.91849 6.421802 
-0.2127800     10.25570 
1 1 1 0   37  18 o 18.81392 5.591347  54.94021       78.65087 -19.94276      
125.4900 103.3854       100.9353 16.88462 7.744646 20.74321 8.066791 -3.858587 
11.18269 
1 1 1 0   37  19 o 26.06196 6.421961  193.6128       90.60167 275.2721       
130.1115 116.7449       126.2366 30.32011 9.320737 21.80381 8.836866 8.516298 
12.84392 
1 1 1 0   37  20 o 30.62744 6.091308  270.4618       83.89373 333.3503       
118.5902 207.4597       118.6972 34.70559 8.249228 26.54928 8.964728 8.156309 
12.18262 
1 1 1 0   37  21 o 26.57640 5.809771  167.3490       87.26165 3.440760       
116.9809 372.9681       131.0226 16.98669 7.681430 36.16612 8.718335 -19.17943 
11.61954 
1 1 1 1   -34 0  o 17.88956 7.694239  37.21920       104.3771 37.21920       
104.3771 0.000000       0.000000 17.88956 7.694239 ?        ?        ? ? 
1 1 1 1   -34 1  o 24.90360 6.189859  164.8447       83.01841 96.11861       
110.7515 252.9875       125.4244 20.56580 8.300981 29.24140 9.184288 -8.675606 
12.37972 
1 1 1 1   -34 2  o 33.07453 5.399811  294.5044       73.68316 259.5964       
103.9367 329.7733       104.4728 30.65593 7.993834 35.49314 7.261573 -4.837210 
10.79962 
1 1 1 1   -33 0  o 45.28592 6.198858  475.9524       117.8566 475.9524       
117.8566 0.000000       0.000000 45.28592 6.198858 ?        ?        ? ? 
1 1 1 1   -33 1  o 34.73386 5.579485  303.6492       78.66727 276.0804       
102.5726 343.0276       122.5888 33.05629 7.552951 36.41143 8.214350 -3.355141 
11.15897 
1 1 1 1   -33 2  f 18.50210 5.522606  47.73842       73.31322 56.51969       
97.08613 36.08718       111.8316 18.58671 7.674682 18.41749 7.943296 0.1692162 
11.04521 
1 1 1 1   -33 3  o 32.25946 5.532263  279.0179       74.39505 302.6541       
102.6461 252.8628       107.9772 34.16226 7.366798 30.35665 8.255546 3.805613 
11.06453 
1 1 1 1   -33 4  o 16.63129 5.104335  27.34455       66.09798 33.24574       
94.34157 21.65491       92.63512 16.92482 7.297592 16.33775 7.138776 0.5870686 
10.20867 
1 1 1 1   -32 0  o 48.69948 4.947342  578.8264       92.73843 659.1611       
120.0508 459.9453       146.0394 54.35501 5.260737 43.04395 8.380300 11.31106 
9.894685 
1 1 1 1   -32 1  o 21.71029 5.463709  95.62403       70.10513 171.6542       
94.31506 1.751826       104.7989 26.27373 7.907579 17.14684 7.541795 9.126898 
10.92742 
1 1 1 1   -32 2  o 31.64819 5.656684  254.3449       75.21250 264.4575       
102.5822 242.5891       110.6032 32.57473 7.627383 30.72165 8.355558 1.853083 
11.31337 
1 1 1 1   -32 3  o 15.07069 4.858075  -33.97752      68.30722 -32.66984      
93.59313 -35.46793      99.91885 14.86825 6.771999 15.27313 6.967322 
-0.4048786     9.716149 
1 1 1 1   -32 4  o 41.48045 4.267975  405.1952       72.73479 417.2466       
94.98549 388.1111       113.0928 42.72525 5.295339 40.23565 6.694911 2.489597 
8.535950 
1 1 1 1   -32 5  o 35.73634 4.828324  334.6279       68.88271 432.0132       
92.85841 215.4702       102.7154 43.33372 5.104067 28.13897 8.197521 15.19475 
9.656649 
1 1 1 1   -32 6  o 38.07258 4.397914  349.2497       68.06277 290.0844       
90.27216 427.1918       103.6112 33.92559 6.572515 42.21957 5.845396 -8.293983 
8.795829 
1 1 1 1   -31 0  o 22.00183 5.693155  76.80227       71.78210 10.08173       
92.28915 178.9799       114.2086 16.83135 7.236907 27.17232 8.790632 -10.34097 
11.38631 
1 1 1 1   -31 1  o 59.66219 3.214127  774.8787       80.17133 879.9501       
117.2313 682.5652       109.8838 63.52251 4.395790 55.80186 4.690360 7.720646 
6.428254 
1 1 1 1   -31 2  o 58.21964 3.299851  744.7660       80.62884 755.0511       
115.8495 735.1038       112.2867 58.58485 4.710100 57.85443 4.622882 0.7304192 
6.599703 
1 1 1 1   -31 3  o 14.60749 4.650386  -23.56153      59.67147 -31.16987      
90.24015 -17.64985      79.54459 14.81614 6.720778 14.39885 6.429270 0.4172850 
9.300773 
1 1 1 1   -31 4  o 23.93723 5.093922  136.3674       60.72506 58.99794       
87.62019 207.8759       84.23613 18.65688 7.442273 29.21758 6.957351 -10.56070 
10.18784 
1 1 1 1   -31 5  o 18.24837 5.041972  50.33996       58.63372 105.1609       
85.71056 2.118065       80.38649 21.30892 7.586525 15.18783 6.643085 6.121092 
10.08394 
1 1 1 1   -31 6  o 22.70649 5.292579  128.2405       58.46419 128.0013       
84.59401 128.4592       80.89189 22.68794 7.568097 22.72504 7.400641 
-0.3709602E-01 10.58516 
1 1 1 1   -31 7  o 43.00952 4.462971  455.9672       75.28942 400.8298       
118.2667 493.5395       97.62781 39.60827 7.387012 46.41077 5.010439 -6.802505 
8.925942 
1 1 1 1   -31 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -30 0  o 41.57670 4.324847  377.4388       74.79740 340.1697       
97.99241 429.4635       115.7771 39.21563 5.951882 43.93777 6.276329 -4.722141 
8.649693 
1 1 1 1   -30 1  o 24.90904 5.304417  137.8431       62.54404 206.5314       
93.14516 81.44576       84.40115 29.48446 7.503801 20.33362 7.499355 9.150841 
10.60883 
1 1 1 1   -30 2  o 25.83612 5.285507  158.6066       61.13631 132.8410       
87.50352 183.1786       85.45257 23.91395 7.690370 27.75829 7.252900 -3.844336 
10.57101 
1 1 1 1   -30 3  o 18.72591 5.070295  58.66407       58.31218 11.97041       
87.43795 96.06567       78.25572 16.51535 7.070605 20.93647 7.268982 -4.421114 
10.14059 
1 1 1 1   -30 4  o 24.21233 5.163610  139.9793       58.70722 97.56924       
85.32416 178.1067       80.90140 21.17948 7.566499 27.24518 7.028483 -6.065706 
10.32722 
1 1 1 1   -30 5  o 27.08815 4.930159  181.4860       57.71932 130.6856       
86.53419 222.2020       77.47069 23.41307 7.654393 30.76323 6.215798 -7.350163 
9.860318 
1 1 1 1   -30 6  o 28.07940 4.827850  193.7133       56.86254 156.3043       
83.47311 226.1030       77.67151 25.21838 7.403793 30.94042 6.198097 -5.722042 
9.655701 
1 1 1 1   -30 7  o 17.20813 4.674269  36.65047       51.52565 105.7089       
76.64550 -20.29465      69.59957 21.18072 7.203776 13.23554 5.958251 7.945171 
9.348537 
1 1 1 1   -30 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -30 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -30 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -29 0  o 14.27391 4.570961  -41.99131      59.48714 -67.22356      
85.70602 -18.53596      82.63315 13.51988 6.278887 15.02795 6.644572 -1.508071 
9.141923 
1 1 1 1   -29 1  o 48.94654 3.318244  519.9202       67.74788 579.0227       
95.05111 458.8919       96.58730 51.88061 4.363884 46.01247 4.999949 5.868141 
6.636488 
1 1 1 1   -29 2  o 25.20779 5.130304  148.5965       58.31135 177.4166       
79.14781 114.3825       86.23691 27.63632 6.847746 22.77927 7.641233 4.857048 
10.26061 
1 1 1 1   -29 3  o 16.14025 4.769861  11.43283       55.42008 51.00929       
80.33759 -24.50089      76.55110 18.22026 7.170722 14.06025 6.291824 4.160008 
9.539722 
1 1 1 1   -29 4  o 44.71218 3.401230  438.6774       63.07312 518.7369       
89.75394 360.5680       88.65396 48.91444 4.370564 40.50993 5.212640 8.404510 
6.802459 
1 1 1 1   -29 5  o 30.38627 4.443921  211.9045       55.85794 258.5832       
80.53017 168.6229       77.54452 34.09386 5.626050 26.67869 6.880500 7.415165 
8.887841 
1 1 1 1   -29 6  o 20.30175 4.890152  87.46378       53.35697 34.72021       
78.49766 132.7618       72.74641 16.93327 6.931661 23.67023 6.899742 -6.736958 
9.780305 
1 1 1 1   -29 7  o 19.67186 4.827309  84.60023       49.57434 60.90091       
71.98387 105.9815       68.37283 18.03019 6.861232 21.31352 6.792287 -3.283339 
9.654618 
1 1 1 1   -29 8  o 47.14967 2.839886  481.6121       55.89601 416.9279       
75.65971 559.3408       82.93856 43.63987 4.129546 50.65947 3.899571 -7.019604 
5.679772 
1 1 1 1   -29 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -29 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -29 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -29 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -28 0  o 61.96603 2.356330  817.7738       61.01002 864.9007       
83.97103 765.0789       88.79317 63.90205 3.129939 60.03003 3.523158 3.872021 
4.712659 
1 1 1 1   -28 1  o 69.96275 2.554743  1051.342       73.19286 1092.185       
94.77332 990.9793       115.2162 71.77346 3.145164 68.15204 4.026759 3.621422 
5.109486 
1 1 1 1   -28 2  o 56.60365 2.937387  687.6845       69.29282 704.7436       
93.26355 666.6638       103.5279 57.46167 3.865937 55.74564 4.423517 1.716038 
5.874774 
1 1 1 1   -28 3  o 37.95545 3.721929  313.3385       59.19056 330.9412       
82.99966 295.1216       84.43496 39.09052 5.057384 36.82039 5.462040 2.270123 
7.443858 
1 1 1 1   -28 4  o 19.25529 4.882210  69.45038       51.79836 34.62864       
73.25035 104.2790       73.25755 16.80408 6.763985 21.70650 7.042189 -4.902426 
9.764421 
1 1 1 1   -28 5  o 41.28300 3.293736  369.8962       56.99518 345.0132       
80.33080 395.1199       80.87872 39.84216 4.802421 42.72383 4.509050 -2.881672 
6.587471 
1 1 1 1   -28 6  o 19.49549 4.886603  77.10321       50.98293 53.18738       
72.42324 100.5977       71.78253 17.77408 6.849362 21.21691 6.971500 -3.442831 
9.773207 
1 1 1 1   -28 7  o 38.10572 3.363256  319.3855       53.49754 347.5530       
74.40804 289.2440       76.97095 39.95532 4.435742 36.25611 5.056694 3.699211 
6.726512 
1 1 1 1   -28 8  o 107.0955 2.637194  2447.160       116.5126 2321.516       
149.8041 2639.539       185.3662 103.8890 3.434591 110.3019 4.002843 -6.412872 
5.274388 
1 1 1 1   -28 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -28 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -28 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -28 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -27 0  o 47.86196 2.771312  500.7047       53.96098 577.4454       
71.98639 402.2785       81.52541 52.25109 3.281528 43.47284 4.466795 8.778248 
5.542625 
1 1 1 1   -27 1  o 32.31729 3.678297  228.4627       48.32399 243.1438       
65.80843 211.2827       71.18919 33.75503 4.643699 30.87954 5.705746 2.875490 
7.356594 
1 1 1 1   -27 2  o 43.82182 2.871040  408.3694       52.53149 353.1981       
72.78251 468.3631       75.89678 40.70478 4.258951 46.93885 3.851341 -6.234066 
5.742081 
1 1 1 1   -27 3  o 64.34535 2.691112  881.0397       72.68699 888.5717       
103.9049 873.8212       101.7197 64.60888 3.830585 64.08182 3.780868 0.5270615 
5.382225 
1 1 1 1   -27 4  o 71.65323 2.610941  1088.134       77.95305 1051.076       
103.3360 1137.071       118.7484 70.29707 3.501350 73.00938 3.874094 -2.712311 
5.221882 
1 1 1 1   -27 5  o 46.84666 2.964861  471.0647       58.18290 507.7807       
82.43077 434.6107       82.13609 48.70502 4.031222 44.98830 4.348661 3.716724 
5.929722 
1 1 1 1   -27 6  o 19.02915 5.239674  53.29544       57.63694 79.84428       
99.13663 39.73948       70.83961 21.12136 8.047752 16.93694 6.711961 4.184420 
10.47935 
1 1 1 1   -27 7  o 109.1626 2.833579  2526.097       128.1908 2346.042       
166.2013 2790.515       201.4079 104.5718 3.785653 113.7534 4.217288 -9.181557 
5.667159 
1 1 1 1   -27 8  o 56.87127 3.026003  697.1114       72.05197 658.1780       
97.56962 743.8087       106.8562 55.15946 4.213235 58.58308 4.344587 -3.423615 
6.052007 
1 1 1 1   -27 9  o 80.45079 2.773809  1357.255       90.18367 1254.137       
111.4905 1552.427       153.3844 76.41155 3.475361 84.49002 4.324111 -8.078468 
5.547618 
1 1 1 1   -27 10 o 37.21931 8.188971  342.1012       124.4995 342.1012       
124.4995 0.000000       0.000000 37.21931 8.188971 ?        ?        ? ? 
1 1 1 1   -27 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -27 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -27 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -27 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -27 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -26 0  o 73.40630 2.352222  1143.007       71.97535 1185.185       
97.27812 1091.986       106.9907 74.93977 3.091889 71.87281 3.545704 3.066963 
4.704444 
1 1 1 1   -26 1  o 82.93787 2.217980  1449.708       77.00851 1488.527       
113.9074 1417.028       104.5112 83.94333 3.232116 81.93240 3.038283 2.010925 
4.435959 
1 1 1 1   -26 2  o 142.0756 2.458276  4313.228       144.9430 4638.186       
195.7237 3918.595       215.6882 148.1616 3.146508 135.9895 3.777827 12.17207 
4.916552 
1 1 1 1   -26 3  o 18.20800 4.451061  62.30594       42.87104 91.94211       
60.32809 32.07143       60.93405 20.59528 6.349924 15.82071 6.239091 4.774575 
8.902122 
1 1 1 1   -26 4  o 84.28324 2.125990  1504.752       74.92780 1671.883       
106.6070 1341.594       105.3323 88.94658 2.854812 79.61990 3.151092 9.326675 
4.251980 
1 1 1 1   -26 5  o 106.4447 3.354602  2404.020       147.1995 2304.872       
189.2688 2555.790       234.1698 103.8742 4.340024 109.0152 5.116405 -5.140968 
6.709204 
1 1 1 1   -26 6  o 23.66422 5.224449  124.4990       57.43987 117.4676       
78.77514 132.4817       83.93462 23.03593 7.285582 24.29252 7.489977 -1.256584 
10.44890 
1 1 1 1   -26 7  o 30.17088 4.669232  208.1914       57.66995 178.5220       
80.62823 239.2694       82.51992 27.83081 6.921002 32.51096 6.269501 -4.680145 
9.338464 
1 1 1 1   -26 8  o 75.82556 2.882115  1223.875       89.14693 1189.895       
112.7419 1280.567       145.6217 74.62173 3.598660 77.02938 4.502886 -2.407646 
5.764229 
1 1 1 1   -26 9  o 16.04771 4.621878  15.85467       51.48173 -29.02221      
71.14368 65.18588       74.59090 13.31710 6.007869 18.77832 7.025135 -5.461221 
9.243755 
1 1 1 1   -26 10 o 47.97490 3.235078  491.3891       64.52254 425.6268       
84.61093 582.7751       99.74197 44.22030 4.557491 51.72949 4.592623 -7.509186 
6.470155 
1 1 1 1   -26 11 o 33.60832 5.087223  249.4021       71.78049 249.4021       
71.78049 0.000000       0.000000 33.60832 5.087223 ?        ?        ? ? 
1 1 1 1   -26 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -26 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -26 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -26 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -26 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -25 0  o 67.81357 2.249393  977.7848       63.49609 1073.220       
87.40959 871.1610       92.39143 71.37029 2.917177 64.25685 3.424785 7.113434 
4.498786 
1 1 1 1   -25 1  o 109.3478 2.205190  2522.042       100.3675 2519.165       
152.1686 2524.257       133.5324 109.2591 3.317328 109.4364 2.906336 
-0.1773529     4.410380 
1 1 1 1   -25 2  o 52.04602 2.474414  576.4876       53.66648 627.5458       
73.91788 519.5735       78.04163 54.52575 3.229007 49.56629 3.750256 4.959457 
4.948829 
1 1 1 1   -25 3  o 42.43273 2.775115  387.1520       48.52665 420.6887       
64.63744 343.8352       73.46010 44.61332 3.450966 40.25215 4.346939 4.361172 
5.550229 
1 1 1 1   -25 4  o 13.86559 3.863971  -6.526373      38.84537 -72.55248      
54.08790 63.80771       55.82454 9.790359 4.682302 17.94083 6.147938 -8.150470 
7.727942 
1 1 1 1   -25 5  o 64.24867 2.224112  877.2030       59.63257 973.1053       
83.54894 777.6133       85.13994 67.87666 2.931849 60.62070 3.345288 7.255959 
4.448223 
1 1 1 1   -25 6  o 20.74371 4.800565  90.90549       46.26406 95.30891       
55.57222 80.96266       83.50611 20.76982 6.022897 20.71759 7.477059 
0.5222130E-01  9.601130 
1 1 1 1   -25 7  o 81.28729 3.192823  1396.080       104.3310 1354.085       
129.1817 1474.854       176.9252 79.75814 3.857866 82.81645 5.088550 -3.058311 
6.385646 
1 1 1 1   -25 8  o 35.23642 3.820199  268.9574       56.50512 270.1483       
79.32254 267.7307       80.51134 35.32648 5.348319 35.14635 5.456295 0.1801224 
7.640398 
1 1 1 1   -25 9  o 55.34480 2.937975  654.4958       67.04399 644.1936       
86.71274 669.8082       105.7152 54.91124 3.761341 55.77837 4.514323 
-0.8671227     5.875950 
1 1 1 1   -25 10 o 27.83084 4.641127  178.6869       54.34182 124.9442       
75.46026 236.5824       78.32146 23.36947 7.081124 32.29221 6.001493 -8.922739 
9.282253 
1 1 1 1   -25 11 f 26.01204 4.166900  150.0428       42.91385 176.3919       
72.95165 136.1004       53.06662 27.56481 6.417833 24.45927 5.316357 3.105536 
8.333800 
1 1 1 1   -25 12 o 52.29222 3.260849  604.4150       59.00314 582.3593       
124.3739 610.8204       67.02552 51.08624 5.798909 53.49821 2.984160 -2.411972 
6.521698 
1 1 1 1   -25 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -25 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -25 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -25 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -25 17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -24 0  o 98.76410 2.195859  2051.117       90.23053 2032.484       
119.5819 2075.750       137.4957 98.26397 2.898627 99.26424 3.299265 -1.000267 
4.391718 
1 1 1 1   -24 1  o 93.23478 2.091233  1844.701       81.20489 1996.918       
111.2822 1671.325       118.7647 97.40327 2.721280 89.06629 3.176108 8.336975 
4.182467 
1 1 1 1   -24 2  o 76.83112 2.027613  1246.460       65.10015 1280.451       
88.63316 1206.641       95.93024 77.98531 2.707101 75.67692 3.019348 2.308395 
4.055226 
1 1 1 1   -24 3  f 23.04590 4.123418  118.6183       41.61827 163.1994       
57.79681 70.60884       59.97800 27.27210 5.234594 18.81970 6.372545 8.452406 
8.246836 
1 1 1 1   -24 4  o 51.65237 2.470735  562.2320       53.51491 534.2650       
73.57526 593.6475       77.97964 50.29261 3.484566 53.01214 3.503700 -2.719524 
4.941469 
1 1 1 1   -24 5  o 128.2764 2.560031  3441.999       132.4912 3346.801       
164.8171 3615.878       222.7465 125.9194 3.117673 130.6333 4.061422 -4.713806 
5.120062 
1 1 1 1   -24 6  o 44.69696 2.567858  423.6098       48.04373 385.3889       
67.81686 462.1189       68.07205 42.65320 3.787103 46.74072 3.468922 -4.087517 
5.135715 
1 1 1 1   -24 7  o 99.80453 2.245467  2099.125       93.79131 2192.143       
139.3588 2022.106       126.8094 101.7992 3.260704 97.80990 3.088089 3.989258 
4.490933 
1 1 1 1   -24 8  o 60.36629 2.926400  765.5952       72.72826 726.1398       
93.06934 827.4767       116.5557 58.46389 3.791752 62.26869 4.458461 -3.804798 
5.852799 
1 1 1 1   -24 9  o 59.95897 2.938239  776.5676       72.09319 813.3034       
93.50054 722.7070       113.2153 61.85293 3.600600 58.06501 4.644207 3.787922 
5.876477 
1 1 1 1   -24 10 o 80.89394 2.974247  1385.905       98.29584 1335.921       
124.3913 1469.013       160.3965 79.14085 3.743781 82.64702 4.622627 -3.506172 
5.948493 
1 1 1 1   -24 11 o 41.43104 2.885583  362.1620       48.03627 389.4877       
81.84969 347.8051       59.32814 42.48462 4.588877 40.37745 3.499797 2.107166 
5.771167 
1 1 1 1   -24 12 o 60.87627 2.307024  794.6691       58.64777 720.9380       
84.40492 863.4963       81.54971 58.07037 3.462057 63.68219 3.050180 -5.611820 
4.614048 
1 1 1 1   -24 13 o 34.03000 3.672803  287.5399       44.63859 185.2729       
76.30720 340.7430       55.03844 28.14847 6.570313 39.91152 3.284648 -11.76305 
7.345606 
1 1 1 1   -24 14 o 59.87819 2.452201  792.3805       59.07637 683.4037       
94.29581 862.7903       75.79520 56.16014 3.999312 63.59624 2.838778 -7.436100 
4.904402 
1 1 1 1   -24 15 o 31.20169 4.113984  268.2912       46.50689 126.4082       
82.89867 333.4553       56.18064 23.06486 7.491877 39.33851 3.401652 -16.27365 
8.227968 
1 1 1 1   -24 16 o 13.40898 4.133323  1.047064       42.65795 -41.28145      
78.59434 18.72407       50.79010 13.32499 6.119083 13.49296 5.558259 
-0.1679716     8.266645 
1 1 1 1   -24 17 o 31.41794 4.473293  233.8245       56.61628 282.9432       
86.79311 197.4431       74.69663 34.35172 6.249013 28.48416 6.402441 5.867554 
8.946587 
1 1 1 1   -24 18 o 12.81195 4.082620  -10.02740      44.02354 -49.74628      
82.83153 5.609042       51.97161 13.09149 6.115629 12.53242 5.410196 0.5590734 
8.165240 
1 1 1 1   -24 19 o 27.79710 5.380236  210.2077       64.57488 212.6257       
88.26219 207.4225       94.72533 28.17491 7.375538 27.41929 7.835124 0.7556171 
10.76047 
1 1 1 1   -23 0  o 80.46603 2.238362  1284.516       72.02058 1125.903       
87.28986 1622.728       127.4644 73.15472 2.842121 87.77734 3.458816 -14.62263 
4.476724 
1 1 1 1   -23 1  o 30.95816 3.655083  220.1005       43.61072 317.9900       
60.84849 116.7066       62.53585 38.84324 3.731260 23.07308 6.286193 15.77016 
7.310165 
1 1 1 1   -23 2  o 128.8393 2.522977  3438.352       129.8436 3311.297       
159.2407 3690.411       224.2900 125.4194 3.024200 132.2592 4.039290 -6.839813 
5.045954 
1 1 1 1   -23 3  o 125.3565 2.306734  3289.542       120.0790 3450.013       
185.7811 3174.402       157.3683 127.9370 3.458806 122.7759 3.052989 5.161156 
4.613468 
1 1 1 1   -23 4  o 28.07739 3.834898  172.6433       43.53122 163.8536       
60.32892 182.1905       62.87487 27.31294 5.454116 28.84184 5.392438 -1.528900 
7.669796 
1 1 1 1   -23 5  o 89.03316 2.249540  1676.007       83.69221 1868.882       
118.6734 1485.164       118.0464 94.16486 3.001826 83.90145 3.351232 10.26340 
4.499079 
1 1 1 1   -23 6  o 67.37862 2.165039  965.4192       60.72816 1073.469       
84.19235 848.2354       87.67889 71.36618 2.809967 63.39106 3.294489 7.975121 
4.330078 
1 1 1 1   -23 7  o 78.31333 2.049675  1294.510       67.31966 1363.379       
95.23696 1225.736       95.17184 80.40640 2.821214 76.22026 2.974124 4.186142 
4.099349 
1 1 1 1   -23 8  o 111.4151 2.176093  2634.003       100.1403 2693.244       
131.2369 2551.436       154.9346 112.9874 2.766604 109.8429 3.359677 3.144470 
4.352186 
1 1 1 1   -23 9  o 76.81763 2.731957  1197.550       78.10502 1138.079       
90.36311 1373.228       155.3102 73.39388 2.932597 80.24136 4.610231 -6.847481 
5.463914 
1 1 1 1   -23 10 o 41.82003 3.535644  370.0301       61.28275 295.8974       
81.99398 463.8521       92.24216 37.09080 5.265466 46.54925 4.719954 -9.458450 
7.071287 
1 1 1 1   -23 11 o 39.20145 3.105035  340.8062       46.70210 298.5533       
82.33592 360.8486       56.70687 37.17360 5.275647 41.22929 3.276053 -4.055691 
6.210071 
1 1 1 1   -23 12 o 96.85522 2.414346  1997.750       98.14072 1931.914       
138.4482 2064.244       139.1383 95.23154 3.462800 98.47892 3.365305 -3.247383 
4.828691 
1 1 1 1   -23 13 o 33.64761 3.556359  280.3872       42.31280 177.6535       
72.97580 332.4174       51.93380 27.77947 6.386806 39.51575 3.130409 -11.73627 
7.112717 
1 1 1 1   -23 14 o 48.63222 2.674955  487.3344       50.68544 565.3718       
93.31532 454.6764       60.36660 51.09655 4.349931 46.16788 3.114425 4.928677 
5.349911 
1 1 1 1   -23 15 o 36.33831 3.432040  293.9960       49.92746 274.0236       
82.42516 305.5711       62.74898 35.09013 5.594946 37.58649 3.976454 -2.496361 
6.864081 
1 1 1 1   -23 16 o 33.35064 4.139928  274.5284       51.61867 197.8101       
87.09770 316.0633       64.08609 28.56373 7.248170 38.13755 4.002506 -9.573820 
8.279857 
1 1 1 1   -23 17 o 15.46223 4.513361  28.61038       46.02624 0.5972793      
83.52410 40.82634       55.15626 15.46440 6.767712 15.46006 5.973257 
0.4344940E-02  9.026722 
1 1 1 1   -23 18 f 41.23323 3.259257  390.2200       49.64429 352.4708       
93.15919 405.1916       58.66872 39.18506 5.662735 43.28139 3.228690 -4.096333 
6.518513 
1 1 1 1   -23 19 o 42.01092 4.237330  354.5840       59.55023 541.7747       
144.0094 315.9728       65.40411 46.38355 7.395164 37.63828 4.139009 8.745274 
8.474660 
1 1 1 1   -23 20 o 17.80497 4.675294  65.25258       57.25798 -150.5456      
125.0608 122.4849       64.40472 13.74179 6.697602 21.86815 6.525000 -8.126353 
9.350588 
1 1 1 1   -22 0  o 133.0387 2.254229  3803.181       119.4111 3989.910       
149.1788 3470.163       199.2208 137.7418 2.579660 128.3356 3.697505 9.406189 
4.508457 
1 1 1 1   -22 1  o 109.0806 2.194332  2538.737       98.64242 2724.080       
130.7012 2293.451       150.3580 113.8016 2.735599 104.3597 3.431744 9.441917 
4.388663 
1 1 1 1   -22 2  o 99.82635 2.241076  2071.788       91.04568 1997.047       
114.4357 2200.694       150.2862 97.43348 2.797529 102.2192 3.501930 -4.785744 
4.482152 
1 1 1 1   -22 3  o 137.5507 2.322163  3993.493       132.0638 3926.144       
204.5176 4041.660       172.9572 136.5160 3.568356 138.5853 2.972642 -2.069321 
4.644326 
1 1 1 1   -22 4  o 31.77193 3.363963  219.9536       42.96511 252.8294       
58.96584 182.7433       62.73265 34.61934 4.056979 28.92453 5.367114 5.694809 
6.727926 
1 1 1 1   -22 5  f 97.17392 2.175479  1989.440       88.60607 2137.076       
126.0722 1845.331       124.5574 100.7476 2.980613 93.60023 3.169667 7.147377 
4.350959 
1 1 1 1   -22 6  o 100.9269 2.049091  2145.653       86.79726 2079.475       
122.5943 2212.169       122.9060 99.36150 2.938821 102.4922 2.856296 -3.130753 
4.098182 
1 1 1 1   -22 7  o 70.82317 2.234324  1062.782       66.09789 1162.336       
92.30921 958.0280       94.68931 74.26284 2.960701 67.38350 3.347098 6.879341 
4.468648 
1 1 1 1   -22 8  o 114.6480 2.548108  2778.983       122.5192 2941.972       
174.0639 2618.940       172.4835 118.0001 3.513561 111.2960 3.691382 6.704041 
5.096215 
1 1 1 1   -22 9  o 43.13421 2.573720  393.9971       46.56199 375.8914       
66.09055 411.8400       65.60926 42.14041 3.735611 44.12800 3.541375 -1.987591 
5.147439 
1 1 1 1   -22 10 o 81.19625 2.196567  1382.782       74.44433 1486.606       
112.8465 1302.782       99.05665 83.85729 3.205297 78.53521 3.004279 5.322083 
4.393133 
1 1 1 1   -22 11 o 77.05315 2.819931  1262.128       91.13370 1339.183       
130.0735 1187.832       127.7237 79.38340 3.902834 74.72289 4.071354 4.660515 
5.639861 
1 1 1 1   -22 12 o 62.08099 2.312896  812.9655       59.80941 851.7377       
91.30050 783.8195       79.15938 63.33815 3.433435 60.82382 3.099915 2.514332 
4.625792 
1 1 1 1   -22 13 o 50.41066 2.547843  551.7313       52.15317 496.3510       
82.69612 588.3040       67.20258 48.16274 4.089734 52.65857 3.039751 -4.495831 
5.095685 
1 1 1 1   -22 14 o 52.60526 2.436439  552.9256       51.30864 717.9568       
90.75976 475.4098       62.20216 57.93608 3.731344 47.27445 3.134007 10.66163 
4.872877 
1 1 1 1   -22 15 o 26.25743 4.556190  152.0157       48.17557 192.2226       
82.15724 130.9461       59.47350 28.65851 6.900704 23.85635 5.951113 4.802160 
9.112379 
1 1 1 1   -22 16 f 14.66862 4.397797  13.28635       43.97116 4.077803       
80.66069 17.17999       52.44986 15.62153 6.741839 13.71571 5.648900 1.905823 
8.795593 
1 1 1 1   -22 17 o 54.61451 3.516233  688.7153       67.58032 599.5851       
134.8565 718.6044       78.09383 51.35205 6.255113 57.87697 3.213897 -6.524918 
7.032466 
1 1 1 1   -22 18 o 26.22897 4.879514  194.5348       55.51924 45.82985       
128.9872 228.3493       61.50853 20.27965 8.631872 32.17828 4.552958 -11.89862 
9.759028 
1 1 1 1   -22 19 o 74.14159 3.901023  1313.818       99.66301 1128.629       
202.1694 1373.270       114.5489 68.71182 7.008177 79.57134 3.428905 -10.85952 
7.802046 
1 1 1 1   -22 20 o 22.72982 5.659439  121.9504       57.46083 144.2242       
133.8163 116.9150       63.62523 23.73417 9.276252 21.72548 6.485996 2.008692 
11.31888 
1 1 1 1   -22 21 o 69.68800 3.511689  1071.880       94.03590 1267.970       
176.9548 994.7128       111.0074 72.72221 5.795841 66.65379 3.966873 6.068420 
7.023379 
1 1 1 1   -21 0  o 17.86716 3.817851  60.85148       38.56266 118.9937       
49.17553 -32.00330      62.14487 23.26956 5.169470 12.46477 5.619654 10.80479 
7.635701 
1 1 1 1   -21 1  o 15.30404 4.081333  35.60826       35.48235 31.98141       
46.90011 40.46271       54.25983 14.61815 5.545412 15.98993 5.989784 -1.371776 
8.162665 
1 1 1 1   -21 2  o 132.2976 2.212928  3658.552       118.6496 3780.448       
196.7023 3588.835       148.7593 133.9738 3.497119 130.6214 2.712631 3.352417 
4.425857 
1 1 1 1   -21 3  o 60.65146 2.170423  768.5134       54.86027 730.6211       
72.59085 818.9797       83.77347 58.92749 2.934168 62.37543 3.198998 -3.447941 
4.340845 
1 1 1 1   -21 4  f 152.8387 2.625548  4966.707       164.1790 5135.741       
211.8323 4712.424       259.8142 156.1941 3.230343 149.4832 4.139915 6.710831 
5.251097 
1 1 1 1   -21 5  o 126.3982 2.053063  3362.568       108.2709 3353.418       
162.3059 3369.906       145.3328 126.2264 3.062703 126.5699 2.734980 
-0.3434753     4.106125 
1 1 1 1   -21 6  o 144.0092 2.313313  4367.240       138.2831 4368.866       
212.0937 4366.038       182.3769 143.9978 3.508268 144.0206 3.016242 
-0.2279663E-01 4.626625 
1 1 1 1   -21 7  o 102.6419 2.277615  2225.965       95.91547 2250.682       
123.5801 2188.518       152.1115 103.4008 2.846726 101.8830 3.556160 1.517845 
4.555231 
1 1 1 1   -21 8  o 61.10068 2.259861  765.1750       57.16267 945.9245       
89.92113 642.5967       74.05085 66.98832 3.197303 55.21304 3.194548 11.77528 
4.519722 
1 1 1 1   -21 9  o 98.27180 2.182760  2043.109       89.15543 1987.807       
135.0114 2085.871       118.7229 97.05461 3.313411 99.48899 2.842370 -2.434380 
4.365520 
1 1 1 1   -21 10 o 74.95096 2.009340  1184.470       63.21679 1154.036       
89.00941 1215.447       89.79991 73.97665 2.865908 75.92527 2.817154 -1.948616 
4.018680 
1 1 1 1   -21 11 o 71.16642 2.342781  1051.767       68.00986 995.4352       
85.52368 1148.666       112.1673 68.66933 2.966502 73.66351 3.626894 -4.994186 
4.685562 
1 1 1 1   -21 12 o 114.2388 2.059466  2750.500       98.12177 2702.466       
130.9160 2812.070       148.2196 113.1412 2.756088 115.3365 3.060977 -2.195236 
4.118932 
1 1 1 1   -21 13 f 35.23730 3.192951  264.4954       46.28419 270.2032       
73.47521 260.7405       59.59448 35.49002 4.931235 34.98460 4.057422 0.5054207 
6.385903 
1 1 1 1   -21 14 o 67.90993 2.378757  976.8110       66.12534 994.3444       
106.4128 965.7817       84.39841 68.31548 3.710189 67.50438 2.977991 0.8110962 
4.757513 
1 1 1 1   -21 15 o 28.51400 5.145503  167.0074       51.83548 229.5496       
118.3944 152.1759       57.65505 31.05518 8.723021 25.97282 5.460194 5.082357 
10.29101 
1 1 1 1   -21 16 f 90.30862 3.129046  1745.981       105.4012 1801.553       
203.2673 1725.544       123.2682 90.68305 5.339031 89.93418 3.264729 0.7488708 
6.258092 
1 1 1 1   -21 17 f 33.22642 5.165306  272.4300       62.17851 226.0574       
127.3646 286.9404       71.24551 30.18288 9.210356 36.26995 4.678770 -6.087069 
10.33061 
1 1 1 1   -21 18 o 33.36791 5.218670  281.6202       60.39582 228.9632       
133.0947 295.2748       67.77569 29.95631 9.469565 36.77952 4.389236 -6.823208 
10.43734 
1 1 1 1   -21 19 o 19.94696 5.348910  81.87326       56.34261 34.15976       
126.3710 93.71103       62.94509 19.73513 8.476324 20.15880 6.526507 
-0.4236698     10.69782 
1 1 1 1   -21 20 o 22.33136 5.540150  118.7707       59.64696 89.60406       
128.0250 126.8569       67.41011 21.79152 8.874988 22.87119 6.633827 -1.079672 
11.08030 
1 1 1 1   -21 21 o 18.26254 5.451684  49.35212       63.17738 33.61167       
135.5438 53.72089       71.40862 19.44049 8.563683 17.08459 6.748835 2.355896 
10.90337 
1 1 1 1   -21 22 o 19.70378 5.823307  66.71890       70.17480 130.2592       
143.7928 46.85431       80.39931 22.56245 9.329613 16.84512 6.971509 5.717333 
11.64661 
1 1 1 1   -20 0  o 56.09908 2.274630  655.3419       52.51543 629.4340       
67.27983 695.7391       84.01251 54.70581 2.929358 57.49235 3.480607 -2.786537 
4.549260 
1 1 1 1   -20 1  o 62.11631 2.072801  812.1560       53.60060 815.7101       
71.40889 807.5693       81.12213 62.28056 2.730994 61.95205 3.118923 0.3285103 
4.145602 
1 1 1 1   -20 2  o 116.6226 2.239008  2785.711       100.2827 2679.243       
118.6565 3051.875       187.6102 112.8835 2.503698 120.3616 3.712697 -7.478073 
4.478016 
1 1 1 1   -20 3  o 67.36379 2.064078  956.9451       58.24214 1004.938       
81.12836 905.9053       83.66381 69.11701 2.795818 65.61057 3.037280 3.506439 
4.128155 
1 1 1 1   -20 4  o 86.36081 1.974967  1562.468       71.32133 1500.900       
95.93262 1638.551       106.6425 84.47237 2.705034 88.24925 2.878329 -3.776878 
3.949935 
1 1 1 1   -20 5  o 119.9890 2.292844  3041.530       110.6004 3068.499       
138.1397 2993.371       184.5976 120.7825 2.724178 119.1955 3.688818 1.586998 
4.585687 
1 1 1 1   -20 6  o 180.7848 2.927320  6923.371       213.1307 7003.724       
267.0118 6782.282       353.8124 182.3582 3.487597 179.2114 4.702496 3.146744 
5.854639 
1 1 1 1   -20 7  o 114.0769 2.482567  2748.830       118.5333 2962.069       
166.3685 2528.990       168.9235 118.6012 3.341205 109.5526 3.672725 9.048553 
4.965134 
1 1 1 1   -20 8  o 146.1950 2.668589  4416.375       158.4657 4855.229       
264.6073 4170.967       197.8730 151.6760 4.155335 140.7140 3.349425 10.96202 
5.337177 
1 1 1 1   -20 9  o 157.5311 2.674681  5284.496       175.2141 5745.240       
239.2456 4751.504       257.3209 165.0735 3.452133 149.9886 4.086373 15.08499 
5.349361 
1 1 1 1   -20 10 o 118.6970 2.637899  2930.441       126.1549 2821.142       
156.3307 3134.507       213.6097 115.6643 3.219334 121.7297 4.179705 -6.065323 
5.275798 
1 1 1 1   -20 11 o 234.0015 5.902588  11853.84       555.8123 11707.10       
692.4727 12119.59       931.8640 233.1319 7.074927 234.8710 9.450270 -1.739105 
11.80518 
1 1 1 1   -20 12 o 28.00504 3.493178  166.3864       39.25860 185.6328       
63.65907 154.5741       49.87134 29.03139 5.424254 26.97868 4.403027 2.052708 
6.986357 
1 1 1 1   -20 13 o 90.32373 2.612032  1756.394       94.44601 1634.228       
156.5352 1826.324       118.4314 87.67461 4.252646 92.97285 3.034114 -5.298233 
5.224064 
1 1 1 1   -20 14 o 72.40441 2.702780  1107.108       75.41190 1131.927       
137.8508 1096.508       90.08740 72.80591 4.509868 72.00291 2.980129 0.8029938 
5.405560 
1 1 1 1   -20 15 o 58.87273 3.568121  770.5187       70.95794 705.1567       
152.8494 788.4749       80.11396 56.76580 6.413545 60.97967 3.129278 -4.213871 
7.136241 
1 1 1 1   -20 16 f 19.71319 5.243227  72.20878       54.77889 22.14394       
116.6529 86.37193       62.04531 19.46404 8.243643 19.96234 6.481365 
-0.4982948     10.48645 
1 1 1 1   -20 17 o 31.93361 5.001485  283.5622       64.23716 107.4834       
122.2721 350.6880       75.49509 23.58373 8.951713 40.28349 4.463882 -16.69976 
10.00297 
1 1 1 1   -20 18 o 17.57140 5.212370  32.08988       57.86422 -0.3186378     
121.5790 41.58088       65.79380 18.60789 8.154119 16.53490 6.495041 2.072996 
10.42474 
1 1 1 1   -20 19 o 41.84982 4.495039  386.2801       64.64538 432.5845       
135.6942 372.6852       73.52534 42.30880 7.932166 41.39084 4.231106 0.9179573 
8.990078 
1 1 1 1   -20 20 o 33.67088 5.005463  187.9899       62.65688 491.0193       
139.3459 111.1951       70.14839 45.61341 7.276501 21.72833 6.875404 23.88508 
10.01093 
1 1 1 1   -20 21 o 33.16866 5.636899  272.8983       69.11856 278.6084       
145.9464 271.2474       78.47728 31.73733 9.895065 34.60000 5.402427 -2.862669 
11.27380 
1 1 1 1   -20 22 f 21.08212 5.896675  49.81103       66.48584 215.0665       
146.0555 6.617013       74.67094 27.42465 9.889411 14.73960 6.425157 12.68505 
11.79335 
1 1 1 1   -20 23 o 23.37954 5.954026  83.75708       72.66425 311.8278       
144.4453 6.485075       84.07751 31.59892 9.842472 15.16016 6.702793 16.43876 
11.90805 
1 1 1 1   -19 0  o 52.60800 2.270536  579.3744       49.54801 565.5205       
64.86861 598.7769       76.76765 51.86318 2.979179 53.35282 3.427219 -1.489643 
4.541072 
1 1 1 1   -19 1  o 59.25794 2.190535  728.3580       53.40177 690.8361       
68.21693 787.7446       85.82118 57.32281 2.834561 61.19308 3.340514 -3.870274 
4.381069 
1 1 1 1   -19 2  o 221.7538 3.088619  10103.63       229.7831 10802.84       
522.5766 9936.038       255.8435 226.1272 5.504504 217.3804 2.803336 8.746826 
6.177237 
1 1 1 1   -19 3  o 171.2319 2.717913  6252.665       189.1023 6503.858       
241.7397 5856.578       303.5559 175.7991 3.275309 166.6646 4.338267 9.134521 
5.435827 
1 1 1 1   -19 4  o 64.65307 2.029274  874.9155       54.78978 839.4471       
73.20621 920.0844       82.61263 63.17588 2.760055 66.13026 2.975550 -2.954380 
4.058547 
1 1 1 1   -19 5  o 215.5332 3.293024  9758.508       296.6075 10314.17       
445.6526 9316.631       397.4128 220.9726 4.803735 210.0938 4.505569 10.87885 
6.586047 
1 1 1 1   -19 6  o 93.24733 2.168050  1824.246       84.73632 1727.777       
115.8854 1935.088       124.2186 90.60795 3.046377 95.88670 3.085669 -5.278755 
4.336100 
1 1 1 1   -19 7  o 74.94524 2.148644  1193.947       65.59296 1234.542       
84.01077 1130.559       104.9789 76.61783 2.611717 73.27265 3.412567 3.345177 
4.297288 
1 1 1 1   -19 8  o 173.4854 3.051544  6309.263       217.6978 6549.211       
347.4704 6154.216       279.3133 176.1015 4.699760 170.8693 3.893575 5.232224 
6.103087 
1 1 1 1   -19 9  o 36.35578 3.455501  279.2636       52.04573 222.1848       
71.63829 343.0666       75.74048 32.40282 5.266032 40.30874 4.475585 -7.905926 
6.911003 
1 1 1 1   -19 10 o 134.0569 3.048038  3868.975       157.8976 3991.229       
191.0158 3605.203       280.5775 137.6364 3.305653 130.4773 5.121991 7.159027 
6.096075 
1 1 1 1   -19 11 o 145.2971 3.541816  4448.006       190.9682 4415.383       
222.6585 4538.769       371.3926 144.6362 3.666768 145.9581 6.060747 -1.321945 
7.083632 
1 1 1 1   -19 12 o 83.63884 2.702672  1523.451       84.64937 1378.548       
157.2866 1582.534       100.4351 80.61266 4.647393 86.66501 2.760342 -6.052345 
5.405344 
1 1 1 1   -19 13 o 91.81873 2.560991  1785.355       96.51107 1771.762       
153.2348 1794.293       124.2519 91.45544 3.990882 92.18201 3.210539 
-0.7265625     5.121982 
1 1 1 1   -19 14 o 79.30086 2.712009  1314.291       83.19901 1381.877       
152.1143 1285.441       99.38186 80.58968 4.495849 78.01205 3.034356 2.577629 
5.424018 
1 1 1 1   -19 15 o 51.10905 3.030673  553.4459       58.40000 563.4490       
110.5961 549.5782       68.76941 51.26375 5.138666 50.95436 3.214659 0.3093834 
6.061347 
1 1 1 1   -19 16 o 30.31535 5.324122  201.6641       60.50092 227.7879       
122.3527 193.2093       69.60616 31.25903 8.895917 29.37167 5.852161 1.887356 
10.64824 
1 1 1 1   -19 17 o 42.06230 4.519883  410.9135       65.84002 361.7703       
128.8439 428.2813       76.59583 39.40139 8.066976 44.72321 4.079371 -5.321823 
9.039765 
1 1 1 1   -19 18 o 60.18681 3.717622  774.5636       80.46529 822.8976       
164.8376 759.4431       92.19632 60.80704 6.456892 59.56657 3.686651 1.240471 
7.435243 
1 1 1 1   -19 19 o 40.64711 4.322943  313.2539       64.08564 493.9584       
138.4540 263.9828       72.29648 46.55397 7.083857 34.74024 4.956845 11.81373 
8.645885 
1 1 1 1   -19 20 o 54.71419 3.849256  678.7021       76.67026 636.2857       
148.7211 694.0557       89.47699 52.72418 6.718676 56.70420 3.758523 -3.980019 
7.698513 
1 1 1 1   -19 21 o 28.55276 5.770521  208.6943       65.99400 171.0389       
147.2697 218.1558       73.82085 26.52496 9.881473 30.58056 5.962564 -4.055595 
11.54104 
1 1 1 1   -19 22 o 35.08017 5.528079  288.8991       69.98203 341.6904       
146.6257 273.3257       79.63822 35.44956 9.611140 34.71078 5.464850 0.7387810 
11.05616 
1 1 1 1   -19 23 o 49.23828 5.133462  523.9160       95.45998 792.3779       
192.5095 436.3802       109.9268 55.45586 8.268480 43.02071 6.086213 12.43515 
10.26692 
1 1 1 1   -19 24 o 31.05052 11.34433  346.7089       192.7411 346.7089       
192.7411 0.000000       0.000000 31.05052 11.34433 ?        ?        ? ? 
1 1 1 1   -18 0  o 162.8743 2.789788  5578.650       190.6549 5527.546       
264.6055 5633.826       274.9451 162.1038 3.888004 163.6448 4.001888 -1.540955 
5.579577 
1 1 1 1   -18 1  o 187.2216 3.051607  7379.497       239.8058 7424.170       
336.0756 7333.159       342.2830 187.8054 4.262359 186.6379 4.368240 1.167435 
6.103214 
1 1 1 1   -18 2  f 49.70488 2.365292  526.2198       48.30734 556.5023       
63.27891 483.9199       74.78822 51.45154 2.929420 47.95822 3.714422 3.493324 
4.730585 
1 1 1 1   -18 3  f 110.0125 2.153695  2556.817       98.96320 2703.323       
135.8830 2391.331       144.4167 113.3957 2.854235 106.6293 3.225982 6.766380 
4.307391 
1 1 1 1   -18 4  f 65.90102 2.158744  902.9022       59.23454 836.4448       
77.93320 993.8162       91.15200 63.06707 2.943343 68.73497 3.158708 -5.667900 
4.317489 
1 1 1 1   -18 5  o 188.1603 3.557699  7436.291       274.8010 7662.997       
440.1171 7291.437       351.8040 190.3888 5.506148 185.9318 4.506799 4.457047 
7.115399 
1 1 1 1   -18 6  o 48.05002 2.348406  490.3696       46.94945 537.7919       
64.48418 436.8728       68.48981 50.55539 3.038133 45.54464 3.581869 5.010754 
4.696812 
1 1 1 1   -18 7  o 106.1356 2.279172  2381.466       101.0208 2642.228       
142.1125 2115.105       143.6297 112.0520 3.020882 100.2191 3.413615 11.83283 
4.558343 
1 1 1 1   -18 8  o 52.66376 2.522575  595.5851       53.69699 631.1858       
68.54218 539.0183       86.39922 54.76833 2.980914 50.55919 4.070342 4.209141 
5.045149 
1 1 1 1   -18 9  o 69.14428 2.831921  1014.296       81.17317 964.2744       
123.3109 1052.547       107.8323 67.60406 4.344598 70.68450 3.633671 -3.080444 
5.663841 
1 1 1 1   -18 10 o 38.68993 3.112311  313.2675       49.77692 301.4419       
64.42577 330.7820       78.40572 37.80732 4.058867 39.57253 4.719272 -1.765209 
6.224623 
1 1 1 1   -18 11 o 147.4700 4.141792  4614.494       256.3815 4504.722       
362.1932 4724.734       362.9644 145.6949 5.921299 149.2451 5.792753 -3.550201 
8.283585 
1 1 1 1   -18 12 o 144.6977 3.830753  4444.538       215.1849 4442.830       
386.1202 4445.307       259.1618 144.3723 6.370298 145.0231 4.256522 
-0.6507874     7.661506 
1 1 1 1   -18 13 o 22.58770 4.838621  103.1983       45.12410 125.8910       
89.27955 95.41238       52.29533 24.33214 7.762322 20.84326 5.778874 3.488876 
9.677242 
1 1 1 1   -18 14 f 19.11175 4.904085  39.38727       45.10144 126.9613       
95.86514 14.49374       51.11124 24.55458 8.056516 13.66893 5.593991 10.88565 
9.808169 
1 1 1 1   -18 15 o 38.67870 4.192709  374.2869       52.60388 245.1348       
105.0637 417.4953       60.76953 32.91335 7.727120 44.44406 3.256816 -11.53070 
8.385418 
1 1 1 1   -18 16 o 72.11856 2.933850  1141.967       78.09763 1029.955       
148.1296 1185.089       91.90924 69.34974 5.087659 74.88737 2.923288 -5.537636 
5.867699 
1 1 1 1   -18 17 o 31.59674 5.166653  220.8474       61.57057 243.2005       
118.1214 212.5083       72.14695 32.32835 8.564603 30.86513 5.781418 1.463223 
10.33331 
1 1 1 1   -18 18 o 22.53704 5.553245  110.1798       63.60359 29.66013       
130.5954 135.2176       72.82410 20.73099 8.748405 24.34309 6.842479 -3.612097 
11.10649 
1 1 1 1   -18 19 o 37.19715 5.170680  334.0353       69.93256 280.6085       
133.1974 354.3674       82.16882 33.97566 9.137638 40.41864 4.842241 -6.442982 
10.34136 
1 1 1 1   -18 20 o 29.65261 5.295656  223.1150       62.46483 149.3829       
128.9694 245.7123       71.39811 25.81560 9.294580 33.48962 5.078056 -7.674028 
10.59131 
1 1 1 1   -18 21 o 38.66816 5.550337  373.7147       71.20100 327.3556       
158.2802 385.4758       79.72268 35.33055 10.13851 42.00576 4.520579 -6.675205 
11.10067 
1 1 1 1   -18 22 o 48.88027 5.135385  555.2203       103.6743 607.2838       
164.3282 520.7949       133.6239 50.37120 7.770533 47.38935 6.716215 2.981846 
10.27077 
1 1 1 1   -18 23 o 30.24292 7.334425  256.0667       112.4763 251.4520       
165.2245 260.0521       153.5476 29.93497 10.54574 30.55088 10.19620 
-0.6159058     14.66885 
1 1 1 1   -18 24 o 17.33750 7.587394  18.47968       104.9804 0.000000       
0.000000 18.47968       104.9804 ?        ?        17.33750 7.587394 ? ? 
1 1 1 1   -18 25 o 38.90965 6.811193  434.7899       99.85170 496.7841       
209.8687 416.6501       113.5242 36.86469 11.91540 40.95460 6.602475 -4.089905 
13.62239 
1 1 1 1   -17 0  f 281.6447 3.425118  16940.79       397.2771 18262.00       
526.5323 15194.46       605.3456 294.6642 4.256167 268.6253 5.367568 26.03894 
6.850237 
1 1 1 1   -17 1  o 159.3112 2.836389  5339.803       189.5815 5574.060       
268.3795 5106.490       267.8387 162.8063 3.926443 155.8162 4.094320 6.990097 
5.672778 
1 1 1 1   -17 2  o 151.3997 2.508209  4890.990       155.5989 5196.313       
203.0657 4456.787       242.1608 157.2381 3.076097 145.5614 3.962586 11.67670 
5.016419 
1 1 1 1   -17 3  o 221.7635 3.317675  10467.44       302.0201 10940.88       
393.3689 9787.607       471.3791 228.0194 4.109125 215.5077 5.209890 12.51170 
6.635349 
1 1 1 1   -17 4  o 107.5865 2.382356  2431.661       106.8087 2413.122       
142.3690 2455.529       161.5419 107.1297 3.165386 108.0434 3.561295 
-0.9137268     4.764713 
1 1 1 1   -17 5  o 59.91635 2.179112  769.1218       53.79207 881.3762       
73.31455 638.2226       79.16931 64.75340 2.696800 55.07931 3.423651 9.674084 
4.358224 
1 1 1 1   -17 6  o 242.4680 3.928887  12090.18       382.6569 13548.26       
658.4559 11346.63       470.2091 253.0176 6.198648 231.9183 4.829222 21.09937 
7.857775 
1 1 1 1   -17 7  o 62.31275 2.355131  837.0931       59.53553 909.5027       
77.06197 729.8891       93.76658 65.76125 2.791201 58.86425 3.794176 6.896999 
4.710263 
1 1 1 1   -17 8  o 94.49500 2.731507  1842.291       106.2826 1693.879       
135.4786 2079.801       171.3870 89.67504 3.598488 99.31496 4.110402 -9.639915 
5.463014 
1 1 1 1   -17 9  o 262.9317 6.114311  14896.03       647.3602 15125.12       
812.4231 14497.58       1071.419 266.4988 7.261195 259.3646 9.839424 7.134186 
12.22862 
1 1 1 1   -17 10 o 147.5396 4.657241  4605.548       286.3649 4762.441       
435.0198 4485.570       380.4134 149.6591 6.923521 145.4200 6.230927 4.239090 
9.314483 
1 1 1 1   -17 11 o 156.9304 4.977050  5217.536       318.1667 5332.632       
519.0719 5148.268       402.6819 158.0635 7.821985 155.7973 6.156351 2.266235 
9.954100 
1 1 1 1   -17 12 o 93.20325 3.041319  1810.623       106.3653 1885.060       
204.3896 1782.976       124.5612 94.38817 5.157775 92.01833 3.224257 2.369843 
6.082637 
1 1 1 1   -17 13 o 23.21903 4.666113  124.4539       45.38700 76.88673       
91.55798 139.9512       52.26008 21.18022 7.810915 25.25784 5.106863 -4.077625 
9.332226 
1 1 1 1   -17 14 o 68.89705 2.762569  968.9781       70.16880 1075.227       
140.6857 933.7948       80.95729 71.22128 4.705018 66.57281 2.896544 4.648468 
5.525138 
1 1 1 1   -17 15 f 23.51645 4.540745  134.5815       50.39231 27.74358       
90.61053 182.4228       60.63420 18.19223 7.447200 28.84067 5.197373 -10.64844 
9.081491 
1 1 1 1   -17 16 o 32.99338 4.414591  246.1062       52.43155 222.2820       
101.7509 254.7191       61.17934 31.34505 7.762689 34.64171 4.206554 -3.296656 
8.829182 
1 1 1 1   -17 17 o 56.98952 3.010446  710.7330       65.73804 641.4197       
117.3340 742.4442       79.36366 54.73686 5.105816 59.24218 3.190890 -4.505318 
6.020892 
1 1 1 1   -17 18 o 42.62302 3.966251  379.4034       67.83146 437.9417       
117.4953 350.1401       83.07349 44.85964 6.238580 40.38641 4.899461 4.473232 
7.932503 
1 1 1 1   -17 19 o 49.86459 4.366456  558.2225       79.07878 517.0507       
153.8536 573.0046       92.18813 48.02444 7.630735 51.70473 4.246839 -3.680298 
8.732912 
1 1 1 1   -17 20 o 38.36340 5.058750  322.3563       68.35856 365.6520       
141.3129 309.1299       78.10512 38.99450 8.834840 37.73230 4.930458 1.262199 
10.11750 
1 1 1 1   -17 21 o 36.81035 5.473688  350.5957       69.45445 256.5689       
148.4534 376.9442       78.58562 31.94985 9.983372 41.67085 4.491918 -9.720995 
10.94738 
1 1 1 1   -17 22 o 19.03828 5.738126  29.74380       79.68758 -65.25700      
151.4270 66.12891       93.71333 18.40777 8.470138 19.66879 7.743457 -1.261015 
11.47625 
1 1 1 1   -17 23 o 26.34319 9.779710  168.4466       144.0029 0.000000       
0.000000 168.4466       144.0029 ?        ?        26.34319 9.779710 ? ? 
1 1 1 1   -17 24 o 18.94629 5.900947  19.23495       88.56365 -48.07989      
163.0654 47.39899       105.4760 18.96521 8.751238 18.92736 7.918365 
0.3785515E-01  11.80189 
1 1 1 1   -17 25 f 27.29329 7.004313  192.5178       90.22352 270.9366       
197.2860 171.7797       101.4545 29.19929 11.29380 25.38730 8.288053 3.811983 
14.00863 
1 1 1 1   -17 26 o 25.06923 6.899262  167.7522       91.91412 259.2535       
191.6456 140.4174       104.7473 27.41583 10.97995 22.72264 8.357025 4.693195 
13.79852 
1 1 1 1   -16 0  f 27.96754 3.539047  171.8183       39.67209 194.6147       
52.88099 142.4702       60.00063 30.42571 4.139805 25.50936 5.741206 4.916355 
7.078095 
1 1 1 1   -16 1  o 206.4563 3.466830  9067.153       294.5092 9532.271       
386.1006 8420.002       455.4315 212.9099 4.319423 200.0027 5.423857 12.90712 
6.933660 
1 1 1 1   -16 2  o 304.0622 4.573484  19433.07       483.1553 19388.18       
546.6516 19593.34       1032.869 303.6244 4.288398 304.5000 8.079398 
-0.8756104     9.146968 
1 1 1 1   -16 3  o 144.5302 2.489788  4382.907       149.9352 4456.598       
227.2712 4326.118       199.5114 145.5922 3.718154 143.4682 3.312328 2.124039 
4.979577 
1 1 1 1   -16 4  o 138.0626 2.760217  4009.377       159.9002 4188.512       
227.1982 3833.563       225.0827 141.1232 3.834667 135.0020 3.971211 6.121170 
5.520433 
1 1 1 1   -16 5  o 140.9581 2.502381  4064.894       143.5555 4631.417       
239.9385 3749.031       179.1597 148.3760 3.851744 133.5402 3.195577 14.83572 
5.004763 
1 1 1 1   -16 6  o 126.0781 2.865961  3221.121       117.1122 3152.741       
128.8692 3545.408       280.6416 122.4869 2.505997 129.6693 5.155086 -7.182396 
5.731922 
1 1 1 1   -16 7  o 59.71205 2.558399  712.2734       61.05630 635.6161       
74.07472 874.7165       107.8311 54.97160 3.209613 64.45249 3.984972 -9.480888 
5.116798 
1 1 1 1   -16 8  o 133.8480 3.533492  3778.385       184.9588 3791.363       
327.9823 3772.334       223.9690 133.8806 5.835175 133.8154 3.986601 
0.6513977E-01  7.066983 
1 1 1 1   -16 9  o 137.0568 3.115074  3968.129       178.6349 3891.388       
262.2762 4034.533       243.9717 135.7886 4.600625 138.3250 4.201070 -2.536423 
6.230147 
1 1 1 1   -16 10 o 14.64668 4.522707  -13.86195      50.02708 -5.155851      
85.53436 -18.38863      61.67640 16.23682 6.973662 13.05653 5.760862 3.180297 
9.045413 
1 1 1 1   -16 11 o 120.4821 3.830748  3075.417       193.5083 3206.642       
271.0331 2938.974       276.3691 123.1372 5.242687 117.8269 5.586838 5.310326 
7.661496 
1 1 1 1   -16 12 o 211.2056 5.489787  9322.570       388.3982 9845.723       
880.0533 9196.025       432.8316 213.7987 9.804491 208.6126 4.941963 5.186050 
10.97957 
1 1 1 1   -16 13 o 219.6747 5.327641  10343.73       441.7181 10187.41       
827.8598 10405.95       522.2747 217.7154 9.057093 221.6340 5.612854 -3.918594 
10.65528 
1 1 1 1   -16 14 o 151.5375 3.720368  5002.723       215.5144 4526.285       
386.8014 5217.215       259.5314 145.8424 6.317210 157.2326 3.931593 -11.39018 
7.440736 
1 1 1 1   -16 15 o 55.20040 3.377213  708.8952       65.38727 527.7837       
126.4009 775.0686       76.40452 49.75370 6.051262 60.64710 3.000752 -10.89340 
6.754427 
1 1 1 1   -16 16 f 73.12122 2.662357  1125.870       78.64186 1148.520       
130.9357 1113.089       98.35902 73.62224 4.236138 72.62019 3.226100 1.002052 
5.324715 
1 1 1 1   -16 17 f 67.36990 2.852670  931.4335       76.32430 1057.351       
134.9129 872.1646       92.56026 70.51728 4.557000 64.22251 3.432878 6.294769 
5.705340 
1 1 1 1   -16 18 o 23.09580 5.275259  107.4026       53.70740 133.6513       
102.1804 97.38263       63.13144 25.04303 8.317652 21.14857 6.490770 3.894459 
10.55052 
1 1 1 1   -16 19 o 24.83489 5.114750  104.2239       55.11131 236.6608       
105.0041 53.87168       64.74578 32.05214 7.854000 17.61765 6.554185 14.43449 
10.22950 
1 1 1 1   -16 20 o 27.11722 5.690073  179.5566       68.71269 100.9609       
135.2972 206.8746       79.76521 24.10783 9.346855 30.12662 6.491843 -6.018789 
11.38015 
1 1 1 1   -16 21 o 17.76282 5.478072  1.289949       64.33082 29.51443       
138.3448 -6.496670      72.66483 20.99819 8.938660 14.52744 6.335412 6.470754 
10.95614 
1 1 1 1   -16 22 o 75.85786 6.465650  1293.871       205.9167 1293.871       
205.9167 0.000000       0.000000 75.85786 6.465650 ?        ?        ? ? 
1 1 1 1   -16 23 f 39.65412 6.523118  358.3730       108.5982 0.000000       
0.000000 358.3730       108.5982 ?        ?        39.65412 6.523118 ? ? 
1 1 1 1   -16 24 o 27.38979 6.771566  189.3411       93.32526 184.0653       
161.5553 191.9834       114.3311 27.26800 10.30740 27.51159 8.784868 
-0.2435894     13.54313 
1 1 1 1   -16 25 o 31.79110 6.835317  277.7460       93.27406 262.4742       
191.9137 282.4691       106.7273 30.10415 11.26723 33.47804 7.741823 -3.373892 
13.67063 
1 1 1 1   -16 26 o 44.23577 6.716780  529.2948       112.4166 596.8101       
211.8505 502.8326       132.6298 43.28645 11.47084 45.18509 6.991447 -1.898643 
13.43356 
1 1 1 1   -16 27 o 21.12238 6.723729  43.93102       120.5458 178.1802       
200.3649 -32.22864      150.9136 24.59063 10.61935 17.65413 8.250062 6.936504 
13.44746 
1 1 1 1   -15 0  o 221.2993 5.857636  10305.93       544.2287 0.000000       
0.000000 10305.93       544.2287 ?        ?        221.2993 5.857636 ? ? 
1 1 1 1   -15 1  o 324.3052 4.005704  22344.92       461.4463 22535.04       
528.2817 21732.94       947.8193 327.4595 3.842634 321.1509 7.029710 6.308594 
8.011408 
1 1 1 1   -15 2  o 139.5361 2.515419  3849.511       114.3261 3718.189       
125.6212 4482.835       275.8711 133.0608 2.248713 146.0114 4.500291 -12.95061 
5.030838 
1 1 1 1   -15 3  o 120.9535 2.491277  3074.739       126.3166 3078.884       
173.9788 3070.117       183.6942 121.0435 3.423544 120.8635 3.620107 0.1800308 
4.982553 
1 1 1 1   -15 4  o 233.2875 3.668265  11509.48       291.9478 11548.61       
328.5095 11362.46       636.7717 234.4207 3.337898 232.1543 6.533231 2.266373 
7.336530 
1 1 1 1   -15 5  o 253.7817 5.442642  13479.94       452.2880 13401.84       
501.1153 13823.12       1050.469 252.3497 4.729944 255.2137 9.803930 -2.864014 
10.88528 
1 1 1 1   -15 6  o 248.7746 5.288348  13451.35       491.9402 13926.31       
582.5941 12271.36       918.2797 257.0758 5.397913 240.4734 9.095550 16.60239 
10.57670 
1 1 1 1   -15 7  o 121.4760 3.535093  3082.604       175.9546 2990.858       
223.9715 3230.520       284.3849 119.1813 4.476160 123.7708 5.472800 -4.589424 
7.070187 
1 1 1 1   -15 8  o 112.9155 3.983006  2686.470       188.5413 2491.486       
260.8866 2899.649       272.7866 108.6249 5.720626 117.2061 5.543626 -8.581238 
7.966012 
1 1 1 1   -15 9  o 186.7535 5.154801  7479.702       347.1943 7251.593       
695.7277 7555.349       400.6487 184.2983 8.991642 189.2087 5.043636 -4.910370 
10.30960 
1 1 1 1   -15 10 o 44.99863 3.357835  435.9297       62.11436 370.1756       
93.11951 488.6389       83.37244 41.85013 5.299867 48.14714 4.124517 -6.297005 
6.715670 
1 1 1 1   -15 11 o 121.8373 3.438257  3089.432       173.4634 2873.629       
224.3892 3409.921       273.4512 116.6718 4.580968 127.0028 5.128468 -10.33103 
6.876515 
1 1 1 1   -15 12 o 60.13479 2.723739  762.8690       64.08287 760.2676       
113.3690 764.0905       77.68436 60.01514 4.499400 60.25444 3.070899 
-0.2393036     5.447478 
1 1 1 1   -15 13 o 61.89517 2.918833  814.5433       67.34270 793.3479       
128.6454 822.5439       79.03696 61.26963 5.001152 62.52071 3.011115 -1.251080 
5.837665 
1 1 1 1   -15 14 o 191.3459 4.863480  7575.035       286.3054 8111.652       
725.7552 7476.133       311.5744 194.3911 8.892724 188.3008 3.941221 6.090378 
9.726960 
1 1 1 1   -15 15 o 53.13998 2.990585  562.9130       60.62925 676.9785       
116.8955 520.9360       70.91310 56.56000 4.922770 49.71997 3.397166 6.840027 
5.981170 
1 1 1 1   -15 16 o 62.49517 3.085362  791.5285       71.51595 901.6335       
142.8391 754.6946       82.61671 65.16605 5.220915 59.82430 3.289360 5.341743 
6.170725 
1 1 1 1   -15 17 o 115.5152 3.512079  2860.384       159.2159 2769.287       
277.6308 2905.025       194.3507 113.8653 5.807605 117.1651 3.951016 -3.299797 
7.024158 
1 1 1 1   -15 18 o 25.82014 4.666581  162.3315       54.33026 58.10434       
96.83853 210.2087       65.63298 20.23566 7.894808 31.40461 4.977942 -11.16895 
9.333161 
1 1 1 1   -15 19 f 52.26315 3.161119  560.1196       65.49039 648.3678       
116.5924 519.4422       79.15793 55.05144 5.044552 49.47487 3.810929 5.576572 
6.322237 
1 1 1 1   -15 20 o 86.69640 2.968593  1612.645       102.9218 1574.537       
173.1504 1633.466       127.9860 85.67744 4.813689 87.71535 3.475424 -2.037903 
5.937186 
1 1 1 1   -15 21 o 63.39884 3.488180  872.7104       88.76560 850.4937       
147.8884 885.2216       110.9799 62.49511 5.636495 64.30257 4.110902 -1.807453 
6.976359 
1 1 1 1   -15 22 o 74.57439 8.092136  1277.189       253.3564 0.000000       
0.000000 1277.189       253.3564 ?        ?        74.57439 8.092136 ? ? 
1 1 1 1   -15 23 o 41.97764 6.046032  413.4769       101.5498 516.5648       
161.5857 346.1829       130.5530 46.20657 8.649667 37.74871 8.449928 8.457863 
12.09206 
1 1 1 1   -15 24 o 49.86737 5.675813  562.1962       110.4870 904.1088       
177.7218 346.8007       141.0591 62.77208 6.743653 36.96267 9.131406 25.80941 
11.35163 
1 1 1 1   -15 25 o 23.53636 6.652364  65.16285       101.5584 232.0474       
169.3883 -28.49480      126.8957 29.47273 10.64790 17.59998 7.977350 11.87275 
13.30473 
1 1 1 1   -15 26 o 33.59761 7.255930  308.6324       104.2892 357.9869       
199.6614 290.1149       122.2985 34.04551 11.62690 33.14970 8.683850 0.8958130 
14.51186 
1 1 1 1   -15 27 o 23.73808 7.061156  91.08064       105.4175 289.3640       
211.3067 25.37857       121.6353 29.18357 11.58372 18.29258 8.078190 10.89099 
14.12231 
1 1 1 1   -14 0  o 283.6387 2.499072  16339.69       260.6602 18069.50       
524.7173 15772.96       300.3391 293.2224 4.262351 274.0551 2.610328 19.16739 
4.998145 
1 1 1 1   -14 1  o 160.9852 2.504296  5345.699       159.3965 5736.362       
281.2876 5160.917       193.4548 165.2178 4.055222 156.7525 2.939585 8.465332 
5.008591 
1 1 1 1   -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -14 3  o 152.5401 2.574124  4902.970       164.3900 5206.736       
229.3309 4581.912       235.7677 157.4204 3.469945 147.6597 3.803149 9.760727 
5.148248 
1 1 1 1   -14 4  o 253.5414 5.107870  13236.38       494.6892 12812.66       
583.8776 14314.31       931.2723 246.7316 5.636611 260.3511 8.519975 -13.61954 
10.21574 
1 1 1 1   -14 5  o 181.6651 3.605781  6961.460       273.8096 6740.610       
402.8761 7151.041       373.2672 178.9579 5.362184 184.3723 4.822201 -5.414383 
7.211563 
1 1 1 1   -14 6  o 209.4318 4.101430  9180.002       344.7413 9039.569       
427.1594 9442.347       583.8362 207.2537 4.909177 211.6099 6.571674 -4.356232 
8.202861 
1 1 1 1   -14 7  o 218.1594 4.606538  9923.268       404.6327 10456.95       
684.0344 9636.004       501.8535 222.4710 7.323615 213.8477 5.589762 8.623291 
9.213077 
1 1 1 1   -14 8  o 160.1689 5.027289  5429.069       334.0861 5389.311       
512.1898 5458.510       440.7545 159.5688 7.645468 160.7690 6.530036 -1.200211 
10.05458 
1 1 1 1   -14 9  o 91.96875 3.455658  1783.110       131.7294 1780.207       
203.0328 1785.220       173.1113 91.87446 5.263717 92.06305 4.478793 
-0.1885910     6.911317 
1 1 1 1   -14 10 o 150.4473 5.184741  4801.770       327.3836 4639.753       
460.1570 4967.840       465.8767 147.8602 7.412691 153.0345 7.251080 -5.174316 
10.36948 
1 1 1 1   -14 11 o 76.23547 2.747518  1242.147       74.08335 1191.185       
152.5133 1257.885       84.75408 75.12312 4.835653 77.34783 2.609958 -2.224709 
5.495036 
1 1 1 1   -14 12 o 161.3151 3.734760  5500.115       252.7722 5225.438       
353.4133 5787.788       361.6776 157.1772 5.355677 165.4529 5.206769 -8.275757 
7.469519 
1 1 1 1   -14 13 o 84.83231 2.808293  1560.274       93.51632 1390.195       
159.3778 1649.575       115.4862 81.13551 4.678839 88.52911 3.107170 -7.393608 
5.616586 
1 1 1 1   -14 14 f 62.81176 2.857134  811.5021       68.48495 880.6283       
129.2376 784.5117       80.75571 64.57221 4.767211 61.05131 3.150644 3.520901 
5.714268 
1 1 1 1   -14 15 o 20.29596 4.686577  86.15742       49.29227 6.226151       
88.84831 121.6993       59.24626 17.08439 7.213026 23.50752 5.985673 -6.423124 
9.373155 
1 1 1 1   -14 16 f 150.0550 3.826282  4912.339       218.8304 4427.975       
394.3139 5127.909       263.0572 144.2303 6.511883 155.8797 4.019590 -11.64935 
7.652564 
1 1 1 1   -14 17 o 97.52298 2.769099  2005.384       112.9028 2050.141       
168.3121 1968.770       152.2332 98.48542 4.070657 96.56054 3.755180 1.924881 
5.538198 
1 1 1 1   -14 18 o 114.6660 2.938815  2784.238       141.1772 2793.535       
206.6233 2776.097       193.3468 114.8130 4.286562 114.5190 4.021431 0.2940521 
5.877629 
1 1 1 1   -14 19 o 68.26189 3.081236  996.7963       82.31874 969.6862       
144.4867 1009.825       100.1651 67.42134 5.104482 69.10242 3.452584 -1.681084 
6.162473 
1 1 1 1   -14 20 o 89.77551 2.824556  1710.803       103.5338 1719.177       
167.2305 1705.599       131.8388 89.82852 4.434271 89.72250 3.499959 0.1060257 
5.649113 
1 1 1 1   -14 21 o 30.58254 5.852329  219.0762       74.50070 195.9697       
130.7298 230.1897       90.66371 29.36015 9.395663 31.80494 6.980010 -2.444790 
11.70466 
1 1 1 1   -14 22 o 31.29254 6.455016  222.8232       81.90851 0.000000       
0.000000 222.8232       81.90851 ?        ?        31.29254 6.455016 ? ? 
1 1 1 1   -14 23 o 45.23604 5.541097  500.9219       95.13434 388.8958       
157.9459 564.7036       119.1782 39.75845 9.564683 50.71362 5.597488 -10.95517 
11.08219 
1 1 1 1   -14 24 o 27.40733 6.780766  176.0130       92.70318 172.3157       
163.4564 177.7661       112.5559 27.62302 10.38654 27.19163 8.719806 0.4313908 
13.56153 
1 1 1 1   -14 25 o 32.47071 6.465325  291.7492       97.86952 147.7073       
173.1986 359.3175       118.6236 26.30796 10.47313 38.63346 7.583878 -12.32549 
12.93065 
1 1 1 1   -14 26 o 23.83866 6.659118  123.0542       96.68174 43.45316       
189.3779 151.1143       112.4384 22.82449 10.07960 24.85283 8.705001 -2.028339 
13.31824 
1 1 1 1   -14 27 o 24.23970 6.463024  145.4313       100.0757 -68.79518      
204.9177 212.5286       114.6820 20.25623 9.499657 28.22317 8.765799 -7.966946 
12.92605 
1 1 1 1   -14 28 o 40.45568 7.087270  508.6668       111.4866 467.1836       
236.5631 520.5109       126.4041 34.78943 12.58189 46.12193 6.527917 -11.33250 
14.17454 
1 1 1 1   -13 0  o 305.0347 4.099766  18913.95       298.8232 18776.10       
312.5296 20383.01       1020.230 299.0191 2.489507 311.0504 7.812469 -12.03125 
8.199532 
1 1 1 1   -13 1  o 113.2130 2.056825  2697.116       91.96005 2707.281       
112.4828 2676.627       159.6913 113.5453 2.359599 112.8808 3.369630 0.6644363 
4.113650 
1 1 1 1   -13 2  o 279.9594 4.184773  16525.83       490.3156 17043.51       
673.8181 15943.24       714.8187 284.6580 5.638199 275.2608 6.185469 9.397217 
8.369547 
1 1 1 1   -13 3  o 178.2541 5.271868  6682.193       394.5327 0.000000       
0.000000 6682.193       394.5327 ?        ?        178.2541 5.271868 ? ? 
1 1 1 1   -13 4  o 162.1180 3.704082  5522.411       252.1105 5522.411       
252.1105 0.000000       0.000000 162.1180 3.704082 ?        ?        ? ? 
1 1 1 1   -13 5  o 232.8310 5.138511  11446.83       475.7219 11491.97       
586.0804 11359.65       814.4898 233.6572 5.974466 232.0047 8.361995 1.652496 
10.27702 
1 1 1 1   -13 6  o 181.3041 5.715884  6931.396       424.0631 6972.116       
681.3611 6905.651       541.7828 181.6264 8.935511 180.9818 7.130357 0.6445923 
11.43177 
1 1 1 1   -13 7  o 97.09577 3.318095  2018.125       130.0010 1849.742       
210.8807 2121.341       165.1056 93.73994 5.358377 100.4516 3.914949 -6.711655 
6.636191 
1 1 1 1   -13 8  o 168.8424 3.900504  5997.151       274.5262 6068.736       
414.7662 5941.341       366.2263 169.7050 5.821432 167.9798 5.192943 1.725220 
7.801008 
1 1 1 1   -13 9  o 161.9788 5.142403  5574.486       343.1178 5396.720       
535.3237 5698.440       447.0128 159.6586 7.986290 164.2990 6.480464 -4.640381 
10.28481 
1 1 1 1   -13 10 o 116.1968 3.704055  2876.922       174.9673 2720.334       
281.2838 2975.748       223.4598 113.5220 5.901819 118.8716 4.477569 -5.349655 
7.408110 
1 1 1 1   -13 11 o 179.8440 3.479170  6845.971       261.3159 6537.776       
384.6125 7110.226       356.1406 176.0213 5.204504 183.6667 4.618618 -7.645447 
6.958339 
1 1 1 1   -13 12 o 166.9603 4.384969  5848.530       288.7651 6062.440       
507.6108 5746.185       351.1135 168.9551 7.156168 164.9654 5.069623 3.989685 
8.769938 
1 1 1 1   -13 13 o 130.8183 3.750745  3553.093       187.6904 3779.079       
351.0182 3462.613       222.1083 133.4894 6.263312 128.1473 4.128350 5.342072 
7.501490 
1 1 1 1   -13 14 o 178.7162 4.481819  6878.798       293.0344 6571.509       
572.6160 6987.824       341.0802 175.4799 7.772438 181.9526 4.464978 -6.472717 
8.963638 
1 1 1 1   -13 15 o 218.3354 5.363130  10119.77       483.3260 10391.13       
760.3391 9935.773       626.1027 220.4935 8.213582 216.1773 6.898531 4.316223 
10.72626 
1 1 1 1   -13 16 f 150.5951 4.200821  4816.454       247.9210 4784.667       
436.5600 4831.585       301.2040 149.9583 6.934170 151.2320 4.743929 -1.273666 
8.401642 
1 1 1 1   -13 17 o 125.6307 3.115659  3307.915       162.5115 3506.954       
252.0887 3166.375       212.5807 128.7907 4.662190 122.4707 4.134404 6.320023 
6.231318 
1 1 1 1   -13 18 o 74.16071 2.964840  1134.279       85.06584 1237.109       
156.8504 1091.431       101.2495 76.38479 4.891023 71.93664 3.352461 4.448151 
5.929679 
1 1 1 1   -13 19 o 14.68054 4.647378  -27.79097      56.58107 -79.58051      
102.8947 -5.342829      67.74267 15.02639 6.940532 14.33468 6.182355 0.6917076 
9.294757 
1 1 1 1   -13 20 o 40.23048 4.070856  334.2922       65.45514 387.8263       
114.5226 308.3202       79.76800 42.43419 6.428305 38.02677 4.996436 4.407421 
8.141712 
1 1 1 1   -13 21 o 46.95218 7.003289  480.4142       138.0501 480.4142       
138.0501 0.000000       0.000000 46.95218 7.003289 ?        ?        ? ? 
1 1 1 1   -13 22 o 23.51174 5.577746  121.9936       66.18018 46.38712       
122.6203 153.0695       78.61306 21.08951 8.653306 25.93397 7.040262 -4.844461 
11.15549 
1 1 1 1   -13 23 o 14.55071 4.770040  -60.36701      65.96671 -160.4502      
127.3448 -23.66076      77.12063 14.84839 7.121284 14.25303 6.348263 0.5953608 
9.540080 
1 1 1 1   -13 24 o 37.16508 6.175406  363.9470       94.22820 223.4202       
170.2824 425.9703       113.1273 30.51958 10.71047 43.81059 6.150486 -13.29100 
12.35081 
1 1 1 1   -13 25 o 35.35120 6.470452  297.3366       91.76837 363.7258       
163.7203 266.9229       110.8125 37.53421 10.14685 33.16818 8.031709 4.366032 
12.94090 
1 1 1 1   -13 26 o 50.03521 5.296086  534.7411       98.38181 717.6178       
200.5322 476.7713       112.9031 54.08361 8.831602 45.98680 5.847815 8.096802 
10.59217 
1 1 1 1   -13 27 o 21.94182 6.319737  90.55106       83.69286 32.66037       
183.6129 105.7329       94.02885 22.19529 9.847466 21.68835 7.923618 0.5069370 
12.63947 
1 1 1 1   -13 28 o 42.05935 6.536387  503.9594       99.23360 421.7510       
205.4769 528.9655       113.3254 36.23313 11.79501 47.88556 5.636945 -11.65244 
13.07277 
1 1 1 1   -13 29 o 25.02374 6.823749  178.9298       92.53703 151.2939       
225.1647 184.5461       101.5054 24.34565 10.84526 25.70183 8.284591 -1.356186 
13.64750 
1 1 1 1   -12 0  o 423.7479 4.461435  38161.16       777.1431 39865.54       
1014.716 35743.09       1208.634 435.4143 5.550895 412.0814 6.986071 23.33286 
8.922871 
1 1 1 1   -12 1  o 355.8246 5.647549  26566.39       721.4057 26466.86       
827.3308 26882.14       1473.569 354.7705 5.554600 356.8788 9.834921 -2.108337 
11.29510 
1 1 1 1   -12 2  f 184.6240 2.514392  7203.462       193.3650 7578.751       
261.9488 6754.106       286.6343 189.9496 3.284726 179.2985 3.807786 10.65108 
5.028783 
1 1 1 1   -12 3  o 200.7568 2.377502  8506.267       199.1617 8910.935       
271.2156 8032.672       293.4057 205.9722 3.136369 195.5414 3.573970 10.43083 
4.755005 
1 1 1 1   -12 4  o 164.6721 3.453337  5586.809       229.8593 5302.031       
285.2439 6114.219       388.1834 158.8356 4.277497 170.5085 5.422654 -11.67299 
6.906675 
1 1 1 1   -12 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -12 6  o 187.8486 7.651151  7438.731       603.4115 0.000000       
0.000000 7438.731       603.4115 ?        ?        187.8486 7.651151 ? ? 
1 1 1 1   -12 7  o 391.1420 11.53487  32779.90       1871.962 32992.72       
2878.173 32623.87       2464.429 391.6159 17.50563 390.6682 15.02552 0.9476624 
23.06974 
1 1 1 1   -12 8  o 73.83836 2.920210  1142.523       89.95188 1178.620       
135.9562 1114.420       119.9621 74.86661 4.325457 72.81013 3.924400 2.056480 
5.840419 
1 1 1 1   -12 9  o 173.0102 5.354011  6218.970       367.8325 6638.032       
642.3762 6014.534       448.6712 177.1155 8.638812 168.9048 6.327136 8.210617 
10.70802 
1 1 1 1   -12 10 o 126.9563 3.631491  3342.280       188.5806 3622.414       
308.3182 3174.839       238.3674 131.1002 5.601663 122.8125 4.623016 8.287682 
7.262981 
1 1 1 1   -12 11 o 291.1756 6.853217  17939.89       827.5978 18784.28       
1285.959 17342.92       1081.273 296.7063 10.32337 285.6449 9.016336 11.06143 
13.70643 
1 1 1 1   -12 12 o 241.9329 6.148583  12562.46       605.7134 12022.49       
972.2136 12905.01       774.3696 237.2092 9.762279 246.6566 7.477848 -9.447357 
12.29717 
1 1 1 1   -12 13 o 207.0489 5.271665  9136.177       378.2541 9066.473       
806.7895 9155.816       428.2362 205.8141 9.336972 208.2836 4.897217 -2.469467 
10.54333 
1 1 1 1   -12 14 o 114.3212 3.240013  2807.155       149.1197 2576.999       
243.2024 2945.811       188.7673 110.4031 5.246961 118.2393 3.802648 -7.836205 
6.480025 
1 1 1 1   -12 15 o 211.7118 5.322654  9343.125       331.8199 9859.313       
883.3056 9258.313       358.0435 213.8902 9.836514 209.5335 4.070084 4.356659 
10.64531 
1 1 1 1   -12 16 o 103.3768 2.773989  2249.436       117.5092 2267.352       
188.1968 2237.987       150.4390 103.6678 4.324038 103.0857 3.476026 0.5820541 
5.547977 
1 1 1 1   -12 17 o 146.2350 3.866643  4547.546       235.7488 4326.386       
349.5323 4732.117       319.3117 142.8750 5.827094 149.5949 5.084161 -6.719818 
7.733286 
1 1 1 1   -12 18 o 79.57103 2.920736  1317.598       91.85870 1393.212       
161.6022 1281.505       111.6504 81.16115 4.742639 77.98091 3.410303 3.180237 
5.841472 
1 1 1 1   -12 19 o 54.54673 3.295962  628.3109       69.83488 635.9611       
125.5987 624.8876       84.01982 54.69112 5.470027 54.40233 3.678623 0.2887878 
6.591924 
1 1 1 1   -12 20 o 141.3439 4.111558  4158.384       226.1170 4568.936       
412.8744 3982.486       270.2494 145.7602 6.746833 136.9276 4.701051 8.832687 
8.223116 
1 1 1 1   -12 21 o 27.11827 10.23522  129.7392       159.0988 0.000000       
0.000000 129.7392       159.0988 ?        ?        27.11827 10.23522 ? ? 
1 1 1 1   -12 22 o 73.53258 3.534987  1183.601       98.65660 1095.383       
180.0368 1221.460       117.9410 71.20274 6.022622 75.86242 3.703046 -4.659676 
7.069973 
1 1 1 1   -12 23 o 32.65692 5.222461  276.9849       70.75368 124.8461       
124.5945 349.3979       85.95821 25.04554 9.123848 40.26830 5.084464 -15.22275 
10.44492 
1 1 1 1   -12 24 o 65.36188 3.433502  939.4026       91.26881 852.7719       
144.3292 997.1291       117.8164 62.53843 5.497033 68.18533 4.115624 -5.646908 
6.867003 
1 1 1 1   -12 25 o 23.23193 6.009404  90.61785       76.12464 184.6903       
127.9111 39.02484       94.72667 27.92721 9.306170 18.53664 7.605717 9.390574 
12.01881 
1 1 1 1   -12 26 o 17.07246 5.537395  -54.22581      89.00590 -190.6047      
165.5912 1.183924       105.5496 16.69385 8.033978 17.45107 7.622742 
-0.7572117     11.07479 
1 1 1 1   -12 27 o 23.58285 6.053009  125.5876       87.71755 -86.36618      
177.7763 193.7953       100.8487 19.24910 8.979429 27.91660 8.119453 -8.667494 
12.10602 
1 1 1 1   -12 28 o 49.99925 5.777963  538.7366       98.20850 793.5173       
220.4282 475.6368       109.6978 54.34083 10.03940 45.65768 5.722753 8.683151 
11.55593 
1 1 1 1   -12 29 o 48.10896 6.900287  699.3288       104.2140 551.6639       
247.0690 731.2866       114.9391 39.34565 12.93380 56.87226 4.813805 -17.52660 
13.80057 
1 1 1 1   -12 30 o 23.64512 6.908340  128.5931       93.80681 250.4042       
206.4312 96.89327       105.3078 26.94125 11.16167 20.34899 8.143571 6.592253 
13.81668 
1 1 1 1   -11 0  o 113.3482 1.771329  2657.106       81.94378 2867.472       
134.6901 2533.486       103.2505 116.8523 2.745487 109.8440 2.238911 7.008316 
3.542658 
1 1 1 1   -11 1  o 85.24897 1.943576  1566.953       67.49251 1749.327       
88.85528 1318.225       103.7682 91.27414 2.318764 79.22380 3.119820 12.05034 
3.887151 
1 1 1 1   -11 2  o 316.7732 5.425775  21000.99       667.8580 20788.26       
802.5519 21480.08       1204.382 314.3711 6.080671 319.1752 8.987856 -4.804077 
10.85155 
1 1 1 1   -11 3  o 354.0558 5.830202  26013.93       819.3719 25221.66       
999.4506 27637.93       1430.922 346.1653 6.876998 361.9464 9.416575 -15.78107 
11.66040 
1 1 1 1   -11 4  o 226.6675 4.741521  10793.09       449.7936 10570.39       
609.5767 11059.27       666.4267 224.1253 6.478262 229.2097 6.925330 -5.084366 
9.483042 
1 1 1 1   -11 5  o 138.4844 3.308894  4062.478       184.3345 3919.762       
305.6503 4144.058       231.0901 136.5306 5.332317 140.4383 3.919377 -3.907700 
6.617788 
1 1 1 1   -11 6  o 157.5071 4.723495  5185.018       286.8325 5317.612       
524.9426 5128.581       342.4785 158.8451 7.871528 156.1691 5.223473 2.676041 
9.446990 
1 1 1 1   -11 7  o 358.7143 17.51448  27586.54       2637.696 27586.54       
2637.696 0.000000       0.000000 358.7143 17.51448 ?        ?        ? ? 
1 1 1 1   -11 8  o 241.6388 10.09118  12353.90       1023.735 0.000000       
0.000000 12353.90       1023.735 ?        ?        241.6388 10.09118 ? ? 
1 1 1 1   -11 9  o 52.05489 3.466202  562.4227       75.24015 644.5245       
114.5443 500.1134       99.78690 55.35115 4.929104 48.75863 4.874646 6.592522 
6.932405 
1 1 1 1   -11 10 o 104.3758 3.727601  2283.998       160.7580 2346.322       
252.2107 2241.352       208.6313 105.5451 5.691759 103.2065 4.814969 2.338600 
7.455203 
1 1 1 1   -11 11 f 124.1867 3.691357  3200.892       177.9731 3372.998       
323.7291 3126.345       213.0589 126.4674 6.097111 121.9060 4.162898 4.561478 
7.382715 
1 1 1 1   -11 12 o 95.03686 2.903681  1921.189       107.1779 1846.602       
190.4330 1955.768       129.6635 93.62486 4.844759 96.44885 3.202151 -2.823990 
5.807362 
1 1 1 1   -11 13 o 137.8324 3.175442  3987.557       182.1681 3891.108       
240.9482 4116.250       278.3241 135.9241 4.222294 139.7408 4.744043 -3.816711 
6.350883 
1 1 1 1   -11 14 o 151.8101 3.958502  4893.994       215.2858 4828.956       
437.9953 4914.712       247.2097 150.8631 6.915245 152.7571 3.854652 -1.893997 
7.917004 
1 1 1 1   -11 15 f 152.5844 4.367119  4855.880       246.3366 5106.456       
485.4821 4768.998       285.8705 154.8446 7.467896 150.3242 4.529618 4.520401 
8.734238 
1 1 1 1   -11 16 o 38.08645 4.450881  359.3657       61.40172 197.6244       
101.9420 451.4516       76.91998 29.89788 7.972809 46.27502 3.959256 -16.37714 
8.901763 
1 1 1 1   -11 17 o 148.3661 4.063311  4748.845       221.2129 4480.597       
429.0728 4845.959       258.1689 145.1305 7.041954 151.6017 4.056215 -6.471161 
8.126622 
1 1 1 1   -11 18 o 59.03522 2.920173  722.9402       69.92445 781.7315       
116.8002 690.0988       87.29668 60.84224 4.572561 57.22819 3.633363 3.614052 
5.840346 
1 1 1 1   -11 19 o 111.4160 3.145007  2614.837       145.0398 2675.962       
225.9422 2571.993       189.1592 112.4599 4.785426 110.3721 4.082153 2.087852 
6.290014 
1 1 1 1   -11 20 o 85.43575 3.167892  1471.300       107.6523 1779.033       
191.7234 1329.604       130.0968 91.55421 4.987902 79.31728 3.906787 12.23694 
6.335783 
1 1 1 1   -11 21 o 92.68092 6.553582  1845.969       255.0046 0.000000       
0.000000 1845.969       255.0046 ?        ?        92.68092 6.553582 ? ? 
1 1 1 1   -11 22 o 88.84950 3.219839  1693.438       118.4517 1590.214       
179.8949 1772.446       157.3848 86.32543 4.963650 91.37358 4.102637 -5.048149 
6.439678 
1 1 1 1   -11 23 o 93.76991 3.725663  1831.819       135.4694 2040.109       
249.4914 1744.734       161.3223 97.05870 6.122689 90.48112 4.246757 6.577583 
7.451326 
1 1 1 1   -11 24 o 27.83925 5.977488  137.0679       69.63360 287.3946       
141.1477 88.71198       80.05358 34.75121 9.433509 20.92729 7.343730 13.82392 
11.95498 
1 1 1 1   -11 25 o 64.90933 3.836000  868.4226       91.92839 1030.485       
185.8115 815.8989       105.7814 68.16203 6.493087 61.65664 4.086492 6.505390 
7.672000 
1 1 1 1   -11 26 o 57.22278 4.397078  712.5052       102.6893 811.1437       
169.9975 655.8337       128.8551 59.95397 6.753761 54.49158 5.632398 5.462387 
8.794156 
1 1 1 1   -11 27 o 23.93423 6.866595  92.83122       99.96773 146.3876       
183.2867 70.15293       119.2698 26.68430 10.71667 21.18417 8.587985 5.500128 
13.73319 
1 1 1 1   -11 28 o 54.70782 5.869768  727.4769       109.6628 738.6082       
223.0915 723.9304       125.9271 52.51646 10.48942 56.89920 5.271497 -4.382740 
11.73954 
1 1 1 1   -11 29 o 27.93886 7.147782  213.1032       102.1005 141.2971       
233.2631 230.1206       113.5563 26.28298 11.40546 29.59474 8.618507 -3.311756 
14.29556 
1 1 1 1   -11 30 o 27.42342 7.281014  212.1711       103.0374 264.6764       
214.3849 196.3996       117.4979 28.38286 11.51079 26.46397 8.919325 1.918892 
14.56203 
1 1 1 1   -10 0  o 199.7800 2.346709  7919.130       130.6088 9017.863       
379.7378 7771.713       139.0950 207.1622 4.366107 192.3978 1.721996 14.76434 
4.693418 
1 1 1 1   -10 1  o 214.4217 2.672894  9666.063       235.5626 9621.800       
372.9241 9695.450       303.8566 213.9963 4.150832 214.8471 3.368684 
-0.8507843     5.345787 
1 1 1 1   -10 2  o 471.2095 7.782114  46556.62       1284.536 46269.84       
1456.913 47557.98       2722.387 468.8033 7.402254 473.6158 13.69130 -4.812500 
15.56423 
1 1 1 1   -10 3  o 208.8748 3.137228  9168.447       275.0656 9154.217       
392.5040 9182.181       385.5911 208.7134 4.479348 209.0362 4.393661 
-0.3228149     6.274457 
1 1 1 1   -10 4  o 167.4019 3.636886  5883.919       245.9823 5917.977       
408.1895 5864.499       308.2369 167.7488 5.795933 167.0550 4.394873 0.6938477 
7.273771 
1 1 1 1   -10 5  o 412.7730 6.674908  35976.58       1118.205 35833.90       
1830.730 36061.49       1412.255 411.8506 10.58780 413.6954 8.131180 -1.844788 
13.34982 
1 1 1 1   -10 6  o 68.84981 2.375045  996.8781       68.52050 975.0818       
99.40301 1016.611       94.58189 68.13030 3.475204 69.56932 3.238257 -1.439018 
4.750089 
1 1 1 1   -10 7  o 229.2451 7.185238  10985.32       660.3890 11498.20       
1125.239 10715.85       815.6290 233.0764 11.49919 225.4137 8.618535 7.662750 
14.37048 
1 1 1 1   -10 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -10 9  o 427.6985 13.11428  39410.92       2348.435 39190.58       
3443.836 39602.44       3210.775 426.1634 19.24808 429.2336 17.81711 -3.070221 
26.22857 
1 1 1 1   -10 10 o 78.24303 3.423877  1288.088       112.2011 1282.442       
164.2859 1293.024       153.6048 78.07662 5.011878 78.40944 4.666136 
-0.3328171     6.847755 
1 1 1 1   -10 11 f 141.7481 4.165373  4218.342       212.0430 4260.744       
432.6896 4204.940       243.2551 142.0856 7.253496 141.4106 4.097330 0.6750031 
8.330746 
1 1 1 1   -10 12 o 117.1425 3.109071  2919.358       150.7107 2664.200       
227.2996 3119.541       201.3298 112.4966 4.812609 121.7884 3.937524 -9.291824 
6.218143 
1 1 1 1   -10 13 o 78.34178 2.604261  1347.548       81.98824 1000.030       
123.8284 1618.820       109.4044 68.92580 4.279171 87.75777 2.969411 -18.83196 
5.208522 
1 1 1 1   -10 14 o 119.3582 3.041740  2994.121       151.1714 3052.538       
229.9500 2949.656       200.6167 120.3568 4.550759 118.3596 4.037241 1.997215 
6.083480 
1 1 1 1   -10 15 o 187.4428 4.749423  7489.251       335.9898 7361.525       
630.0562 7540.006       397.1767 185.8986 8.072800 188.9870 5.005794 -3.088348 
9.498845 
1 1 1 1   -10 16 o 219.3716 5.544992  10223.22       434.2600 10346.31       
892.0696 10184.99       497.1419 219.3130 9.688473 219.4302 5.396411 
-0.1171722     11.08998 
1 1 1 1   -10 17 o 131.1159 3.695871  3651.954       199.9645 3544.587       
310.4768 3728.060       261.3989 129.3661 5.716492 132.8657 4.686104 -3.499573 
7.391742 
1 1 1 1   -10 18 o 39.84237 4.412167  360.1546       66.55162 288.6321       
111.0313 400.2595       83.14241 36.14006 7.562122 43.54468 4.547875 -7.404613 
8.824334 
1 1 1 1   -10 19 o 140.1461 4.050292  4203.450       233.5087 3939.585       
362.1995 4391.126       305.4643 136.1968 6.334349 144.0954 5.049304 -7.898560 
8.100584 
1 1 1 1   -10 20 o 43.68501 4.806609  385.9388       85.04706 491.1323       
145.6342 331.4992       104.7674 47.91638 7.239364 39.45365 6.324995 8.462730 
9.613217 
1 1 1 1   -10 21 f 43.25509 4.668467  396.7484       84.77942 0.000000       
0.000000 396.7484       84.77942 ?        ?        43.25509 4.668467 ? ? 
1 1 1 1   -10 22 o 29.43390 5.498988  205.4423       66.95261 143.7431       
124.1647 230.7368       79.50085 26.55486 9.162279 32.31293 6.083430 -5.758064 
10.99798 
1 1 1 1   -10 23 o 136.6236 3.477096  3979.986       198.6865 4044.257       
295.0748 3926.675       268.7383 137.5397 5.110050 135.7074 4.716795 1.832245 
6.954191 
1 1 1 1   -10 24 o 24.18054 5.886683  97.78889       68.99454 195.7954       
126.7317 56.50506       82.25225 29.36288 9.233935 18.99821 7.303874 10.36467 
11.77337 
1 1 1 1   -10 25 o 63.79977 3.572461  892.2305       88.24918 844.1825       
156.3767 914.6835       106.8982 62.15285 5.992833 65.44669 3.890484 -3.293842 
7.144922 
1 1 1 1   -10 26 o 116.5917 4.022681  2787.573       145.7639 3294.723       
370.6907 2694.812       158.5349 120.7786 7.310426 112.4048 3.359395 8.373810 
8.045362 
1 1 1 1   -10 27 o 28.10025 6.044883  117.7690       69.88031 362.6310       
156.5192 56.80928       78.09591 37.84633 9.782182 18.35418 7.104320 19.49215 
12.08977 
1 1 1 1   -10 28 f 43.70726 6.342910  451.3643       101.7185 528.4957       
201.2821 424.9106       117.8780 44.28275 10.88828 43.13176 6.509636 1.150986 
12.68582 
1 1 1 1   -10 29 o 27.98137 7.081131  203.7433       100.5130 163.6156       
204.0081 216.6066       115.5051 26.97720 11.13083 28.98553 8.756391 -2.008337 
14.16226 
1 1 1 1   -10 30 o 63.92319 5.718075  1008.467       130.2030 1044.003       
261.2503 996.7230       150.1841 61.77328 10.07342 66.07311 5.414023 -4.299831 
11.43615 
1 1 1 1   -10 31 o 37.15290 7.274761  378.9086       104.9951 561.0539       
213.0502 320.4805       120.6658 40.33965 11.82353 33.96615 8.478959 6.373497 
14.54952 
1 1 1 1   -9  0  o 248.1845 2.657267  12825.45       244.4147 13182.09       
477.8808 12699.11       284.4314 250.4586 4.544694 245.9105 2.755000 4.548126 
5.314534 
1 1 1 1   -9  1  o 278.9230 3.661460  16341.91       428.4004 16630.71       
620.8627 16079.45       591.8754 281.2675 5.257716 276.5785 5.097214 4.688995 
7.322921 
1 1 1 1   -9  2  o 17.45561 2.839170  73.56316       22.56073 108.7612       
28.65729 16.18896       36.58764 22.75676 2.999479 12.15446 4.821480 10.60230 
5.678339 
1 1 1 1   -9  3  o 191.7601 3.571326  7696.303       231.3259 7785.432       
514.6561 7673.737       258.9589 192.3766 6.372148 191.1436 3.226949 1.233017 
7.142652 
1 1 1 1   -9  4  o 349.8824 5.962050  25809.85       778.8236 25827.29       
912.7437 25763.15       1493.553 350.4036 6.204422 349.3612 10.18280 1.042419 
11.92410 
1 1 1 1   -9  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -9  6  o 34.47736 2.954694  252.5259       42.10377 231.7910       
63.91727 268.4196       55.96035 33.20990 4.584286 35.74482 3.728966 -2.534920 
5.909388 
1 1 1 1   -9  7  o 191.7905 4.376832  7741.495       351.6646 7697.215       
513.7095 7780.545       482.4214 191.2596 6.397575 192.3214 5.974752 -1.061844 
8.753664 
1 1 1 1   -9  8  o 313.6159 9.049941  21027.67       1123.319 20327.67       
1926.713 21388.14       1382.623 309.0851 14.84773 318.1467 10.35136 -9.061646 
18.09988 
1 1 1 1   -9  9  o 209.0867 7.169518  9234.516       627.9240 9317.334       
921.3789 9162.692       858.0377 209.9166 10.45472 208.2568 9.813599 1.659836 
14.33904 
1 1 1 1   -9  10 o 328.9183 15.53894  23118.97       2145.796 23118.97       
2145.796 0.000000       0.000000 328.9183 15.53894 ?        ?        ? ? 
1 1 1 1   -9  11 o 117.9374 3.419138  2814.763       137.4030 3117.759       
308.7132 2739.911       153.4390 121.6786 6.043132 114.1963 3.200403 7.482254 
6.838277 
1 1 1 1   -9  12 o 217.4890 4.789597  9921.571       436.0451 10715.00       
647.6179 9263.586       589.7571 225.3889 6.843957 209.5891 6.702328 15.79990 
9.579194 
1 1 1 1   -9  13 o 141.6699 3.759935  4132.498       197.4297 4431.800       
389.7026 4029.155       228.9912 144.9310 6.404618 138.4088 3.940725 6.522156 
7.519870 
1 1 1 1   -9  14 o 194.7572 4.802692  8027.801       334.4086 8000.633       
684.0922 8036.332       383.3309 194.1804 8.391322 195.3341 4.674304 -1.153717 
9.605384 
1 1 1 1   -9  15 o 115.0042 3.132191  2754.772       143.0626 2884.643       
248.7488 2690.582       174.8798 116.9404 5.066609 113.0679 3.684015 3.872551 
6.264383 
1 1 1 1   -9  16 o 75.83473 2.621474  1200.733       74.92848 1234.569       
142.5687 1187.821       88.07279 76.51434 4.438156 75.15514 2.791285 1.359200 
5.242948 
1 1 1 1   -9  17 o 164.3704 3.245337  5693.398       222.1349 5781.146       
337.4369 5626.290       295.0958 165.4305 4.858452 163.3102 4.303986 2.120377 
6.490674 
1 1 1 1   -9  18 o 146.4208 3.236498  4519.462       198.5409 4624.558       
291.6892 4428.740       271.0084 147.9828 4.694941 144.8588 4.456142 3.124054 
6.472996 
1 1 1 1   -9  19 o 80.83450 3.033933  1280.580       93.89853 1620.535       
181.5370 1156.409       109.7151 87.57260 4.937623 74.09641 3.526879 13.47620 
6.067865 
1 1 1 1   -9  20 o 75.17216 6.317922  1200.517       199.3931 1200.517       
199.3931 0.000000       0.000000 75.17216 6.317922 ?        ?        ? ? 
1 1 1 1   -9  21 o 102.0206 3.539828  2347.192       133.6048 1893.344       
244.4347 2540.550       159.5466 94.28203 6.175258 109.7591 3.462327 -15.47709 
7.079655 
1 1 1 1   -9  22 o 54.67967 4.055532  682.4926       80.28619 545.6000       
151.2010 736.2449       94.74657 50.34954 7.152869 59.00981 3.824373 -8.660275 
8.111065 
1 1 1 1   -9  23 o 59.29015 3.720241  767.0087       84.03338 709.0486       
152.4298 792.3152       100.7218 57.42814 6.322169 61.15216 3.923129 -3.724018 
7.440482 
1 1 1 1   -9  24 o 51.57124 3.966134  560.9389       76.27786 594.7687       
148.2757 548.7642       88.95058 52.34349 6.747273 50.79900 4.170755 1.544487 
7.932269 
1 1 1 1   -9  25 o 96.72385 3.456898  1995.695       118.9111 2034.003       
245.7283 1983.981       135.8804 96.74921 6.049631 96.69850 3.347018 
0.5070496E-01  6.913795 
1 1 1 1   -9  26 o 17.55273 5.159256  13.92695       67.65896 -166.3454      
135.6536 73.62238       78.06156 15.39089 7.373840 19.71457 7.217907 -4.323682 
10.31851 
1 1 1 1   -9  27 o 64.99536 3.702827  934.1527       92.69141 894.8555       
166.0399 951.9438       111.7203 63.45060 6.233008 66.54012 3.999165 -3.089520 
7.405654 
1 1 1 1   -9  28 o 73.28561 3.596589  1150.641       93.83979 1239.974       
195.4393 1123.876       106.9780 74.22086 6.272013 72.35037 3.521883 1.870491 
7.193178 
1 1 1 1   -9  29 o 51.33997 6.245677  637.0499       109.5101 681.2042       
227.7920 623.7776       124.8889 49.98112 11.14320 52.69883 5.644738 -2.717709 
12.49135 
1 1 1 1   -9  30 o 50.89487 7.186711  684.7316       119.3660 710.4874       
270.2349 678.4882       133.0492 47.29413 13.14449 54.49560 5.815299 -7.201469 
14.37342 
1 1 1 1   -9  31 o 24.46616 6.989101  143.5501       100.4337 139.0282       
215.6920 144.8020       113.4874 25.13157 10.93756 23.80076 8.704023 1.330805 
13.97820 
1 1 1 1   -9  32 o 18.37708 5.995087  -2.164299      104.9390 -119.3333      
202.2365 41.00738       122.7588 18.17487 8.778433 18.57929 8.167214 
-0.4044209     11.99017 
1 1 1 1   -8  0  o 86.05029 1.520700  1554.128       54.54990 1549.650       
72.88660 1559.830       82.24966 85.91062 2.020793 86.18996 2.272995 
-0.2793427     3.041400 
1 1 1 1   -8  1  o 137.4157 2.324964  4047.922       129.1665 4307.348       
165.1217 3638.869       207.3418 143.2176 2.746179 131.6138 3.752376 11.60373 
4.649927 
1 1 1 1   -8  2  o 205.3142 3.455321  8857.871       294.1718 8847.725       
386.7544 8871.798       453.1288 205.1944 4.489426 205.4339 5.253763 
-0.2395172     6.910642 
1 1 1 1   -8  3  o 277.2342 4.066143  16494.25       442.7766 15194.16       
761.4400 17158.46       544.2543 268.7206 6.749253 285.7477 4.536701 -17.02710 
8.132286 
1 1 1 1   -8  4  o 335.9183 7.500342  23807.79       1057.270 23220.81       
1467.684 24440.96       1524.337 331.6300 10.54144 340.2067 10.67233 -8.576691 
15.00068 
1 1 1 1   -8  5  o 30.79339 2.779277  198.5765       35.69095 204.5513       
54.01978 193.9477       47.54680 31.20188 4.123758 30.38490 3.727216 0.8169785 
5.558553 
1 1 1 1   -8  6  o 179.7284 3.687692  6738.490       254.4834 6920.003       
469.3185 6662.894       302.8759 181.3772 6.163195 178.0796 4.051087 3.297623 
7.375383 
1 1 1 1   -8  7  o 116.9030 2.392851  2887.344       116.7483 3157.142       
162.2572 2597.723       168.1125 122.6034 3.152264 111.2027 3.600858 11.40072 
4.785702 
1 1 1 1   -8  8  o 200.1092 4.286771  8442.616       349.1711 8346.289       
566.5377 8501.619       443.3963 199.1336 6.776499 201.0847 5.252112 -1.951157 
8.573543 
1 1 1 1   -8  9  o 122.7754 3.076953  3168.870       158.0071 3178.777       
214.5424 3157.128       233.5812 122.9915 4.154887 122.5594 4.539546 0.4321060 
6.153906 
1 1 1 1   -8  10 o 194.7059 5.558581  8055.107       417.9359 7824.782       
752.2188 8157.957       502.6609 192.5168 9.306719 196.8950 6.080811 -4.378220 
11.11716 
1 1 1 1   -8  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -8  12 o 54.48070 3.204868  662.8862       64.60773 539.7159       
118.7388 714.6893       77.00475 50.63733 5.585252 58.32407 3.144784 -7.686737 
6.409735 
1 1 1 1   -8  13 f 157.6353 4.154275  5237.793       267.1317 5222.621       
431.9311 5247.191       339.9413 157.3834 6.536972 157.8873 5.128353 
-0.5038605     8.308550 
1 1 1 1   -8  14 o 164.8676 4.450602  5778.965       280.3573 5626.566       
514.2159 5843.429       334.4365 163.1340 7.507962 166.6013 4.781415 -3.467270 
8.901203 
1 1 1 1   -8  15 o 66.78960 2.956514  966.1788       76.12724 868.4583       
134.5323 1012.208       92.33170 64.19419 4.991739 69.38499 3.169614 -5.190804 
5.913029 
1 1 1 1   -8  16 o 125.6047 3.274213  3264.571       163.0462 3510.105       
286.1827 3146.572       198.3932 128.9570 5.285906 122.2523 3.865368 6.704773 
6.548425 
1 1 1 1   -8  17 o 151.9952 3.265056  4866.266       208.1652 5073.533       
302.2879 4679.328       287.0806 155.0639 4.643346 148.9265 4.591481 6.137375 
6.530111 
1 1 1 1   -8  18 o 173.3256 4.308475  6227.881       292.0258 6760.380       
527.2882 5992.290       350.7258 178.2584 7.045620 168.3929 4.960952 9.865479 
8.616949 
1 1 1 1   -8  19 o 122.7127 4.342236  3021.935       169.6847 3463.509       
419.0876 2935.351       185.5765 127.3976 7.835464 118.0278 3.745070 9.369781 
8.684472 
1 1 1 1   -8  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -8  21 o 92.54395 3.130932  1782.965       114.2616 1884.678       
201.8994 1735.038       138.5912 94.36467 5.096203 90.72322 3.638633 3.641449 
6.261863 
1 1 1 1   -8  22 o 129.2282 3.369112  3494.673       177.8579 3724.973       
290.7919 3357.025       224.8117 132.4651 5.228796 125.9913 4.250101 6.473808 
6.738225 
1 1 1 1   -8  23 o 115.4567 3.261610  2884.229       147.5145 2672.057       
255.0471 2990.885       180.8293 111.9587 5.426045 118.9547 3.620831 -6.995964 
6.523219 
1 1 1 1   -8  24 o 67.28990 3.343148  930.1492       82.21375 1034.347       
166.9445 896.7889       94.46228 69.46785 5.724129 65.11195 3.455563 4.355896 
6.686297 
1 1 1 1   -8  25 o 50.38744 4.169606  537.7869       78.04383 570.2314       
152.5369 526.2820       90.83308 51.08395 7.112326 49.69092 4.353996 1.393028 
8.339212 
1 1 1 1   -8  26 o 68.54301 3.435048  1021.758       90.09644 981.7652       
163.7495 1039.121       107.8965 67.21943 5.802380 69.86659 3.678398 -2.647163 
6.870096 
1 1 1 1   -8  27 o 66.87007 3.577661  930.9453       86.50382 1049.731       
178.5190 894.4957       98.88910 69.02129 6.160590 64.71886 3.639474 4.302437 
7.155323 
1 1 1 1   -8  28 o 107.3150 3.136508  2339.872       129.4824 2891.439       
246.7428 2130.257       152.1093 114.9539 5.112597 99.67616 3.634842 15.27779 
6.273016 
1 1 1 1   -8  29 o 84.17041 3.429165  1564.657       105.9934 1534.684       
206.0429 1575.443       123.6023 82.69569 5.934659 85.64513 3.437516 -2.949440 
6.858330 
1 1 1 1   -8  30 o 36.36683 6.540842  341.3656       99.24538 366.6448       
152.9318 322.9743       130.4436 37.20829 9.693894 35.52536 8.784013 1.682934 
13.08168 
1 1 1 1   -8  31 o 23.49603 7.142125  66.90834       110.9949 200.8862       
222.6691 22.61104       128.0360 27.87955 11.57394 19.11250 8.371595 8.767056 
14.28425 
1 1 1 1   -8  32 o 32.60936 7.623299  280.7375       107.8847 513.6055       
220.3631 207.3270       123.7266 38.26946 12.19373 26.94926 9.152684 11.32020 
15.24660 
1 1 1 1   -7  0  o 100.0849 1.556020  2100.157       65.30704 1963.340       
90.61922 2248.003       94.20107 96.69813 2.232150 103.4717 2.168478 -6.773621 
3.112040 
1 1 1 1   -7  1  o 357.8451 6.058688  27045.22       817.4751 27127.29       
964.4315 26835.80       1540.668 359.1078 6.396872 356.5824 10.29130 2.525360 
12.11738 
1 1 1 1   -7  2  o 253.8836 5.162514  13588.91       548.3939 13287.74       
804.5131 13850.30       749.4985 251.2202 7.627805 256.5470 6.958648 -5.326767 
10.32503 
1 1 1 1   -7  3  o 125.0292 2.650520  3287.841       128.1171 3294.091       
153.7629 3273.653       231.6963 125.2414 2.924319 124.8170 4.421468 0.4244003 
5.301039 
1 1 1 1   -7  4  o 472.9135 15.18437  47507.32       3014.793 47507.32       
3014.793 0.000000       0.000000 472.9135 15.18437 ?        ?        ? ? 
1 1 1 1   -7  5  o 245.4151 5.570354  12686.44       573.6652 12596.88       
822.3773 12771.33       800.6301 244.5579 8.009592 246.2723 7.743501 -1.714401 
11.14071 
1 1 1 1   -7  6  o 324.1360 6.947954  22208.23       940.3297 21753.31       
1397.124 22584.96       1271.403 321.0029 10.36686 327.2693 9.253350 -6.266388 
13.89591 
1 1 1 1   -7  7  o 280.8182 4.978697  16761.29       461.5289 16864.11       
514.0298 16333.65       1048.279 283.2950 4.321857 278.3414 8.970576 4.953613 
9.957394 
1 1 1 1   -7  8  o 402.8939 9.102447  34386.33       1539.052 34341.92       
2145.789 34433.38       2208.669 402.6770 12.69262 403.1108 13.05050 
-0.4338074     18.20489 
1 1 1 1   -7  9  o 339.1725 6.863635  23709.24       860.6505 25491.72       
1706.078 23100.79       996.7758 347.1039 11.70740 331.2412 7.167607 15.86267 
13.72727 
1 1 1 1   -7  10 o 256.6142 4.895878  13959.45       512.8438 13443.50       
820.1425 14290.73       657.1752 252.6003 7.733507 260.6280 6.005942 -8.027725 
9.791756 
1 1 1 1   -7  11 o 361.7370 8.278275  25814.74       778.6860 30240.58       
2460.948 25322.33       820.8618 376.5229 15.56798 346.9511 5.635375 29.57181 
16.55655 
1 1 1 1   -7  12 o 103.0401 3.381743  2170.278       127.7773 2361.021       
257.3448 2107.866       147.2047 105.9197 5.787080 100.1604 3.500634 5.759315 
6.763485 
1 1 1 1   -7  13 o 58.69328 4.756934  724.5980       117.2180 724.5980       
117.2180 0.000000       0.000000 58.69328 4.756934 ?        ?        ? ? 
1 1 1 1   -7  14 o 60.05667 2.952888  750.8284       69.67616 780.3411       
123.5730 737.0723       84.36598 60.89409 4.833585 59.21926 3.393325 1.674831 
5.905777 
1 1 1 1   -7  15 o 51.99327 2.959318  533.2526       62.34887 717.2499       
106.5870 437.5444       76.87293 58.38042 4.348688 45.60612 4.014868 12.77430 
5.918636 
1 1 1 1   -7  16 o 67.48357 2.982548  948.2202       81.50853 998.3321       
135.9400 920.0923       101.8467 68.83601 4.703841 66.13113 3.668278 2.704880 
5.965097 
1 1 1 1   -7  17 o 56.33675 3.055710  677.7952       68.13265 641.2693       
116.2711 696.8959       84.08065 55.12728 5.023732 57.54623 3.480169 -2.418949 
6.111421 
1 1 1 1   -7  18 o 238.0909 6.046342  11777.79       530.5117 12836.70       
1058.164 11422.27       613.1354 244.0598 10.32709 232.1221 6.291599 11.93770 
12.09268 
1 1 1 1   -7  19 o 145.1512 4.390271  4500.659       213.6084 4417.107       
475.4157 4521.792       239.1023 143.8387 7.872611 146.4637 3.888433 -2.625015 
8.780542 
1 1 1 1   -7  20 o 202.9110 8.926018  8828.366       760.4002 0.000000       
0.000000 8828.366       760.4002 ?        ?        202.9110 8.926018 ? ? 
1 1 1 1   -7  21 o 79.30682 3.629262  1397.627       105.4532 1188.608       
199.1697 1479.047       124.3065 74.82243 6.340340 83.79121 3.533592 -8.968773 
7.258524 
1 1 1 1   -7  22 o 132.5616 4.200642  3748.643       220.2405 3687.753       
379.9351 3779.458       270.2853 131.4752 6.883142 133.6481 4.817045 -2.172928 
8.401283 
1 1 1 1   -7  23 o 88.37166 3.437746  1648.477       122.7696 1687.259       
204.3436 1626.571       153.5773 89.05872 5.465196 87.68461 4.171813 1.374107 
6.875492 
1 1 1 1   -7  24 o 48.19921 5.345247  674.1775       83.19620 231.3539       
149.9225 871.2219       100.0077 32.22314 10.02542 64.17529 3.711816 -31.95216 
10.69049 
1 1 1 1   -7  25 f 98.06047 3.514259  2015.337       127.3062 2133.646       
251.2883 1974.487       147.6574 99.57916 6.010698 96.54177 3.643016 3.037392 
7.028517 
1 1 1 1   -7  26 o 35.35651 5.682061  253.3358       75.24825 378.3640       
147.6536 209.4710       87.45776 40.34280 8.953627 30.37023 6.998274 9.972563 
11.36412 
1 1 1 1   -7  27 o 88.53937 3.660376  1716.723       118.9831 1649.970       
230.7842 1740.889       138.8605 86.69737 6.340467 90.38137 3.659492 -3.683998 
7.320752 
1 1 1 1   -7  28 o 57.52928 3.778538  662.9761       78.42455 846.5883       
166.6270 610.7283       88.88497 61.71475 6.430984 53.34381 3.968857 8.370945 
7.557075 
1 1 1 1   -7  29 o 54.77452 3.802156  608.3441       76.76216 778.8704       
157.8026 555.4847       87.85755 58.85556 6.386277 50.69349 4.128079 8.162071 
7.604312 
1 1 1 1   -7  30 o 23.08669 5.597425  127.0395       66.48253 53.80019       
126.8258 154.7906       78.06844 20.75860 8.683558 25.41478 7.065444 -4.656179 
11.19485 
1 1 1 1   -7  31 f 34.44373 6.639268  323.5695       100.0731 261.6153       
157.4325 365.5757       129.6332 30.87731 10.32438 38.01014 8.350247 -7.132832 
13.27854 
1 1 1 1   -7  32 o 22.64349 6.475048  92.40063       111.0401 -221.6840      
225.1222 193.3817       127.6482 18.54335 9.028543 26.74362 9.283879 -8.200264 
12.95010 
1 1 1 1   -7  33 o 22.69697 6.879977  100.1850       104.0216 217.4352       
204.9870 59.52024       120.7197 26.12459 10.98935 19.26935 8.280736 6.855236 
13.75995 
1 1 1 1   -6  0  o 126.6312 1.590229  3367.954       84.39206 3383.463       
116.0723 3350.563       122.9185 126.9415 2.177941 126.3208 2.317732 0.6207047 
3.180457 
1 1 1 1   -6  1  o 105.1358 1.958522  2345.608       83.53725 2421.243       
106.2792 2223.338       135.1287 107.3824 2.357416 102.8892 3.128230 4.493187 
3.917044 
1 1 1 1   -6  2  f 51.36552 2.058417  552.6545       43.80246 562.8000       
67.96870 545.4479       57.28462 51.76595 3.127417 50.96508 2.677234 0.8008690 
4.116834 
1 1 1 1   -6  3  o 486.2358 10.78836  49925.30       2202.324 0.000000       
0.000000 49925.30       2202.324 ?        ?        486.2358 10.78836 ? ? 
1 1 1 1   -6  4  o 77.58109 2.397221  1264.531       78.05006 1223.725       
110.3781 1305.338       110.3808 76.32825 3.444441 78.83393 3.335042 -2.505676 
4.794443 
1 1 1 1   -6  5  o 80.16602 2.444781  1347.798       81.84451 1369.655       
122.6735 1330.264       109.8728 80.74849 3.618573 79.58355 3.288425 1.164940 
4.889562 
1 1 1 1   -6  6  o 358.0734 7.878932  27056.61       1182.121 27580.94       
1733.838 26601.17       1615.926 361.2506 11.43197 354.8961 10.84529 6.354584 
15.75786 
1 1 1 1   -6  7  o 267.8148 5.330415  15111.56       552.4888 15075.05       
997.4316 15127.72       663.5900 267.4257 8.883847 268.2039 5.893264 
-0.7781677     10.66083 
1 1 1 1   -6  8  o 201.9817 4.322960  8584.403       356.8573 8566.911       
574.3102 8595.403       455.4540 201.7675 6.779794 202.1960 5.365288 
-0.4285126     8.645920 
1 1 1 1   -6  9  f 679.3693 11.92083  98411.54       3399.842 100054.5       
4821.095 96786.19       4795.213 685.0698 16.76224 673.6687 16.95441 11.40106 
23.84166 
1 1 1 1   -6  10 o 372.0652 7.121808  29030.29       957.2655 29626.22       
1940.551 28838.64       1100.480 374.0203 12.35808 370.1101 7.082267 3.910187 
14.24362 
1 1 1 1   -6  11 f 238.1091 4.793954  11920.45       437.7468 11972.13       
804.4597 11898.71       521.7557 238.3380 8.039557 237.8803 5.224320 0.4576416 
9.587909 
1 1 1 1   -6  12 o 130.4178 2.931967  3602.299       149.4118 3498.321       
263.3033 3651.681       181.4555 128.9906 4.862049 131.8451 3.278139 -2.854523 
5.863934 
1 1 1 1   -6  13 o 486.0096 11.94561  50499.50       2210.739 51119.56       
4108.498 50246.81       2622.815 485.8801 20.14072 486.1392 12.85074 
-0.2590637     23.89121 
1 1 1 1   -6  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -6  15 o 81.72944 2.662601  1343.329       85.84798 1581.692       
154.9456 1237.746       103.1229 86.71531 4.256030 76.74357 3.200622 9.971741 
5.325201 
1 1 1 1   -6  16 o 49.91508 3.191698  524.9676       61.94666 523.2816       
110.8723 525.7328       74.69250 49.82984 5.299741 50.00032 3.558158 
-0.1704826     6.383396 
1 1 1 1   -6  17 f 187.8845 5.131593  7525.151       385.6265 7324.655       
648.5128 7634.823       479.6361 185.6642 8.319774 190.1048 6.009521 -4.440628 
10.26319 
1 1 1 1   -6  18 o 113.3335 3.085702  2656.064       142.5050 2916.635       
235.9370 2506.410       178.8046 117.5792 4.779547 109.0878 3.904121 8.491356 
6.171404 
1 1 1 1   -6  19 o 32.18329 5.777440  230.5672       74.70435 217.5948       
132.3865 236.6277       90.48745 31.58715 9.340117 32.77943 6.802752 -1.192282 
11.55488 
1 1 1 1   -6  20 o 193.7084 6.851432  7978.214       557.1969 0.000000       
0.000000 7978.214       557.1969 ?        ?        193.7084 6.851432 ? ? 
1 1 1 1   -6  21 o 52.86592 3.941520  605.2628       81.93340 550.9888       
139.9843 633.5450       101.0508 50.93793 6.545745 54.79391 4.392670 -3.855980 
7.883041 
1 1 1 1   -6  22 o 47.60388 4.644812  530.3257       80.25834 384.3931       
138.2271 604.5449       98.57690 41.69602 8.188059 53.51174 4.387803 -11.81572 
9.289624 
1 1 1 1   -6  23 o 55.10516 3.945906  635.6035       86.35527 673.7587       
150.4685 616.8640       105.4503 56.22241 6.374663 53.98791 4.652351 2.234501 
7.891812 
1 1 1 1   -6  24 o 144.7232 3.638751  4457.816       217.6883 4430.394       
338.1239 4477.229       284.4915 144.1772 5.585993 145.2692 4.664625 -1.092010 
7.277503 
1 1 1 1   -6  25 o 50.44061 4.434860  608.4167       81.18276 397.8515       
133.5504 731.8273       102.2417 42.14204 7.841127 58.73919 4.145923 -16.59714 
8.869720 
1 1 1 1   -6  26 o 73.46930 3.587787  1159.442       102.9404 1143.047       
181.8685 1167.171       124.8679 72.82270 5.948558 74.11590 4.012919 -1.293198 
7.175574 
1 1 1 1   -6  27 o 75.10557 3.743862  1280.519       109.9445 1008.282       
180.3589 1441.503       138.6930 67.99045 6.318451 82.22069 4.017858 -14.23024 
7.487724 
1 1 1 1   -6  28 o 27.98619 6.192486  166.1992       73.20004 223.1811       
144.0314 146.3560       84.99520 30.70527 9.865711 25.26713 7.487007 5.438139 
12.38497 
1 1 1 1   -6  29 o 19.34134 5.727189  24.86312       68.60670 82.20348       
138.1976 6.109652       79.03346 23.00026 9.277186 15.68242 6.718377 7.317844 
11.45438 
1 1 1 1   -6  30 o 20.31127 5.394400  72.34752       71.48267 -128.2110      
145.7724 135.8431       82.02131 16.60567 7.847284 24.01686 7.403941 -7.411186 
10.78880 
1 1 1 1   -6  31 o 50.68261 5.170920  667.2120       83.57931 496.6989       
170.6823 720.9945       95.85843 43.77386 9.551753 57.59137 3.964551 -13.81750 
10.34184 
1 1 1 1   -6  32 o 41.25063 5.204573  419.1673       77.76122 398.2494       
146.4421 427.3815       91.76775 38.83123 9.126749 43.67003 5.005272 -4.838795 
10.40915 
1 1 1 1   -6  33 o 51.68678 6.802528  851.5090       121.5342 517.1643       
233.4185 975.8609       142.3522 38.18865 12.57143 65.18491 5.201614 -26.99625 
13.60506 
1 1 1 1   -6  34 o 40.06159 7.180453  467.5829       108.2544 585.7339       
222.7839 431.0627       123.8602 39.79088 12.18922 40.33230 7.593315 
-0.5414200     14.36091 
1 1 1 1   -5  0  o 488.9710 7.467223  50332.26       1532.926 50332.26       
1532.926 0.000000       0.000000 488.9710 7.467223 ?        ?        ? ? 
1 1 1 1   -5  1  o 92.13525 2.184553  1634.525       69.31721 1535.309       
77.17036 2048.924       157.7135 85.51108 2.149558 98.75941 3.803746 -13.24834 
4.369106 
1 1 1 1   -5  2  o 25.66700 2.381922  137.2411       25.18544 178.0925       
37.49422 103.6547       33.99720 29.12019 3.066840 22.21380 3.645367 6.906387 
4.763844 
1 1 1 1   -5  3  o 523.0465 5.120676  57441.30       1114.654 56544.26       
1476.416 58630.31       1699.799 518.3948 6.783740 527.6982 7.672430 -9.303345 
10.24135 
1 1 1 1   -5  4  o 120.2206 3.145655  3017.427       157.5875 2886.799       
208.6125 3191.038       240.4981 117.2153 4.239132 123.2259 4.648692 -6.010513 
6.291310 
1 1 1 1   -5  5  o 220.2359 4.351335  10243.89       375.9035 10082.22       
659.8650 10321.57       457.3729 218.8670 7.181182 221.6049 4.916003 -2.737961 
8.702669 
1 1 1 1   -5  6  o 162.5771 2.864420  5547.016       189.3580 5577.454       
309.4008 5528.787       239.4374 162.9163 4.523534 162.2378 3.515287 0.6784821 
5.728840 
1 1 1 1   -5  7  o 204.6883 4.838274  8751.093       411.5774 8384.063       
540.0305 9259.722       635.7239 199.6340 6.443248 209.7426 7.219429 -10.10866 
9.676549 
1 1 1 1   -5  8  o 88.22803 2.537492  1438.850       74.04809 1968.840       
181.1468 1332.524       81.13653 96.79507 4.457572 79.66098 2.426006 17.13409 
5.074983 
1 1 1 1   -5  9  o 179.6810 3.496577  6774.838       234.1879 6810.872       
451.2464 6761.554       273.9725 179.9531 5.972766 179.4088 3.637342 0.5442657 
6.993153 
1 1 1 1   -5  10 o 232.8974 3.876390  11791.38       331.5576 10601.39       
634.7875 12237.82       388.8079 224.4438 6.736616 241.3511 3.837134 -16.90723 
7.752779 
1 1 1 1   -5  11 o 392.5766 5.182483  32520.73       809.4608 32665.48       
997.9497 32242.33       1383.990 394.0552 6.032157 391.0980 8.428855 2.957214 
10.36497 
1 1 1 1   -5  12 o 620.8940 11.35210  82944.27       2726.139 80360.45       
4880.859 84115.80       3286.565 611.8217 19.00170 629.9664 12.42642 -18.14471 
22.70419 
1 1 1 1   -5  13 o 333.9235 6.539318  23331.14       824.1940 24039.19       
1564.739 23059.27       969.6024 336.9725 11.06034 330.8745 6.979937 6.098053 
13.07864 
1 1 1 1   -5  14 o 200.7227 4.223199  8358.690       313.0358 8741.726       
617.8475 8226.408       363.0880 203.6371 7.226791 197.8083 4.372084 5.828781 
8.446398 
1 1 1 1   -5  15 o 59.35826 3.161587  741.0413       74.89727 741.1165       
127.5285 741.0018       92.53767 59.34270 5.118717 59.37382 3.712314 
-0.3111649E-01 6.323174 
1 1 1 1   -5  16 o 112.4958 5.700719  2666.907       269.2433 2666.907       
269.2433 0.000000       0.000000 112.4958 5.700719 ?        ?        ? ? 
1 1 1 1   -5  17 o 191.2628 3.956609  7711.086       313.6390 7688.910       
411.6705 7741.768       484.2118 191.0062 5.133615 191.5193 6.022044 
-0.5130768     7.913218 
1 1 1 1   -5  18 o 81.76134 3.027689  1415.425       100.4994 1379.161       
163.4878 1437.452       127.4169 80.87769 4.814794 82.64500 3.672243 -1.767311 
6.055378 
1 1 1 1   -5  19 o 118.5688 7.173601  2986.879       357.0975 2986.879       
357.0975 0.000000       0.000000 118.5688 7.173601 ?        ?        ? ? 
1 1 1 1   -5  20 o 61.27376 3.438651  772.4205       81.03295 844.9459       
151.1105 743.1468       96.00385 63.16709 5.698031 59.38043 3.850936 3.786659 
6.877301 
1 1 1 1   -5  21 o 43.17255 4.206718  369.7085       69.00172 455.3083       
134.5382 339.1552       80.37839 46.27332 6.925259 40.07178 4.777731 6.201534 
8.413437 
1 1 1 1   -5  22 o 124.6837 4.235328  3293.964       201.4038 3299.873       
372.9872 3291.531       239.2876 124.5060 7.135504 124.8613 4.564712 
-0.3552856     8.470655 
1 1 1 1   -5  23 o 156.0678 3.531363  5101.763       221.6663 5335.038       
374.9167 4976.392       274.8515 158.6147 5.630053 153.5209 4.264339 5.093811 
7.062725 
1 1 1 1   -5  24 o 113.8929 3.790005  2666.635       161.2475 2953.625       
316.3059 2565.864       187.4311 117.6074 6.406101 110.1785 4.051966 7.428871 
7.580010 
1 1 1 1   -5  25 o 111.3272 3.445386  2641.378       135.5656 2622.512       
281.3275 2647.084       154.7132 110.6856 6.053997 111.9687 3.291181 -1.283127 
6.890773 
1 1 1 1   -5  26 o 24.90206 6.362107  115.6827       79.16003 123.0168       
149.7701 112.8397       93.24945 26.38827 9.938269 23.41585 7.945844 2.972414 
12.72421 
1 1 1 1   -5  27 o 44.61369 4.962034  480.2997       77.76455 358.4117       
143.2754 531.2024       92.58940 39.33186 8.885428 49.89551 4.419986 -10.56366 
9.924067 
1 1 1 1   -5  28 f 27.96511 6.006350  130.1796       73.54181 312.9114       
144.1215 65.84901       85.51270 36.23217 9.396996 19.69805 7.483408 16.53412 
12.01270 
1 1 1 1   -5  29 o 34.76768 5.681584  288.8332       75.43084 258.3265       
145.9547 299.9507       88.10983 32.54421 9.845483 36.99116 5.673453 -4.446953 
11.36317 
1 1 1 1   -5  30 o 54.65043 4.243456  691.4774       85.94524 602.2671       
158.7540 728.4637       102.2206 51.25131 7.378038 58.04956 4.194310 -6.798248 
8.486913 
1 1 1 1   -5  31 o 58.89577 4.068518  757.4271       88.13710 820.4244       
174.7413 735.9316       102.0722 59.61253 6.981987 58.17900 4.178902 1.433525 
8.137036 
1 1 1 1   -5  32 f 22.10970 5.332679  104.2725       77.63698 -196.1966      
159.1458 198.1112       88.93781 15.86720 7.685043 28.35221 7.395267 -12.48501 
10.66536 
1 1 1 1   -5  33 o 15.62074 5.025184  -26.69842      71.62491 -256.3501      
162.5788 28.60893       79.78486 14.90780 7.342582 16.33368 6.862680 -1.425876 
10.05037 
1 1 1 1   -5  34 o 65.22518 5.385335  1070.244       122.3063 1132.203       
252.8099 1051.311       139.7490 62.86538 9.578634 67.58498 4.925151 -4.719601 
10.77067 
1 1 1 1   -4  0  o 415.3280 3.253101  36104.58       551.6122 36863.95       
895.2472 35639.86       700.3497 418.7840 5.091830 411.8720 4.050175 6.912018 
6.506201 
1 1 1 1   -4  1  o 222.2778 4.689985  10410.76       435.1232 10239.86       
648.5226 10550.69       586.8093 220.5876 7.002693 223.9680 6.240684 -3.380371 
9.379970 
1 1 1 1   -4  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -4  3  o 147.3206 3.407137  4571.689       209.9087 4694.232       
286.7785 4430.269       308.0757 149.4606 4.570260 145.1805 5.054409 4.280182 
6.814273 
1 1 1 1   -4  4  o 431.4069 7.102846  39133.15       892.9252 39458.45       
2387.122 39080.23       962.8213 431.6512 13.17234 431.1626 5.318947 0.4885559 
14.20569 
1 1 1 1   -4  5  o 261.5903 5.744177  14332.99       618.5060 14019.32       
795.5404 14812.33       983.4348 258.0726 7.342458 265.1080 8.835756 -7.035431 
11.48835 
1 1 1 1   -4  6  o 193.6225 4.547747  7887.249       369.6454 7786.085       
524.0577 7987.415       521.4669 192.3831 6.488334 194.8619 6.374130 -2.478729 
9.095494 
1 1 1 1   -4  7  o 157.6691 3.747084  5219.933       247.2655 5151.843       
335.6666 5300.718       365.6231 156.5543 5.106980 158.7838 5.484644 -2.229553 
7.494169 
1 1 1 1   -4  8  o 218.1812 4.096890  9995.411       319.0786 10038.30       
656.1592 9982.128       365.1614 218.3873 7.156538 217.9752 3.990239 0.4120636 
8.193781 
1 1 1 1   -4  9  o 361.5761 7.047142  27479.88       975.7388 27853.68       
1801.132 27324.61       1160.836 362.9250 11.82088 360.2272 7.675653 2.697845 
14.09428 
1 1 1 1   -4  10 o 183.4986 3.204251  7112.995       241.4619 6894.002       
380.4854 7260.662       312.4393 181.0991 5.004294 185.8980 4.003242 -4.798950 
6.408503 
1 1 1 1   -4  11 o 94.52669 2.100574  1792.297       76.69518 2091.110       
143.9039 1673.746       90.64129 99.77450 3.435374 89.27888 2.418234 10.49561 
4.201149 
1 1 1 1   -4  12 o 157.3394 2.761468  5143.019       177.0239 5438.429       
291.1035 4969.671       222.9940 160.8687 4.310197 153.8100 3.453262 7.058609 
5.522936 
1 1 1 1   -4  13 f 251.4809 5.049443  13344.79       500.3386 13245.28       
872.4872 13393.55       610.7411 250.6376 8.291513 252.3242 5.765265 -1.686523 
10.09889 
1 1 1 1   -4  14 o 99.74837 2.532774  1954.119       91.10562 2360.979       
192.5185 1836.711       103.4188 105.9806 4.326805 93.51614 2.634110 12.46445 
5.065548 
1 1 1 1   -4  15 o 199.9466 3.098847  8341.797       255.6518 8074.385       
329.7946 8744.443       404.6824 195.9890 4.008049 203.9043 4.727255 -7.915314 
6.197693 
1 1 1 1   -4  16 o 156.0280 4.172361  5186.112       270.0867 4625.320       
399.5053 5658.176       366.5408 148.1205 6.424342 163.9356 5.325619 -15.81514 
8.344722 
1 1 1 1   -4  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -4  18 o 71.37114 3.320912  1059.981       89.63784 1103.597       
170.1075 1043.215       105.4690 72.32040 5.602525 70.42188 3.567289 1.898521 
6.641825 
1 1 1 1   -4  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -4  20 o 128.2796 3.716057  3507.674       197.8185 3250.489       
296.6709 3713.565       265.4420 123.9316 5.701824 132.6276 4.767128 -8.695961 
7.432114 
1 1 1 1   -4  21 f 86.29494 3.315800  1642.051       111.2849 1374.755       
189.2429 1783.343       137.5888 80.57969 5.593905 92.01019 3.561789 -11.43050 
6.631599 
1 1 1 1   -4  22 o 177.9990 4.722586  6604.613       318.6592 7027.165       
604.7831 6442.220       374.9249 181.4290 7.939880 174.5690 5.115620 6.860077 
9.445171 
1 1 1 1   -4  23 f 122.8672 3.932595  3175.894       184.5439 3249.297       
342.7875 3145.937       218.9877 123.6368 6.603865 122.0976 4.272024 1.539230 
7.865191 
1 1 1 1   -4  24 o 97.40995 3.453519  1938.707       125.1770 2162.250       
247.5734 1861.932       145.0892 100.8698 5.846071 93.95013 3.678399 6.919632 
6.907038 
1 1 1 1   -4  25 o 182.7796 4.872532  7127.751       350.1721 7293.534       
616.4683 7048.779       425.4782 183.6441 7.995670 181.9151 5.570955 1.729004 
9.745065 
1 1 1 1   -4  26 o 36.01795 5.080359  236.0389       70.29508 438.0223       
136.9893 163.8433       81.90007 44.98982 7.252593 27.04607 7.116186 17.94375 
10.16072 
1 1 1 1   -4  27 o 91.73552 3.769804  1769.878       126.5639 1872.969       
253.2355 1735.553       146.1226 93.03400 6.483416 90.43704 3.848506 2.596962 
7.539608 
1 1 1 1   -4  28 o 68.68860 3.546197  952.4557       89.83627 1146.684       
182.7776 890.5886       103.1564 72.68314 5.989774 64.69405 3.797982 7.989090 
7.092395 
1 1 1 1   -4  29 o 58.67367 3.840147  702.1901       80.76105 841.4244       
171.0579 662.2518       91.61457 61.69726 6.603867 55.65008 3.921208 6.047180 
7.680295 
1 1 1 1   -4  30 o 88.92410 3.344309  1750.030       110.2972 1640.267       
209.0549 1792.369       129.8388 86.23543 5.774250 91.61277 3.375746 -5.377342 
6.688619 
1 1 1 1   -4  31 o 34.00767 6.065046  260.9723       74.97417 333.7421       
162.0327 241.1478       84.57232 35.82724 10.25050 32.18810 6.485866 3.639137 
12.13009 
1 1 1 1   -4  32 o 44.44184 5.380464  472.2372       81.89548 472.0616       
168.0359 472.2919       93.78819 42.63941 9.615704 46.24427 4.830713 -3.604862 
10.76093 
1 1 1 1   -4  33 o 35.05143 6.274792  294.7946       82.01582 385.6833       
169.1727 266.8689       93.77287 36.99483 10.43875 33.10802 6.965959 3.886810 
12.54958 
1 1 1 1   -4  34 o 21.82549 6.000848  112.2147       82.36123 -13.10081      
167.4154 152.2279       94.60073 19.49617 8.943677 24.15482 8.003209 -4.658648 
12.00170 
1 1 1 1   -4  35 o 20.05268 6.286287  57.93514       105.7671 -95.25538      
215.4677 106.5649       121.3996 18.98823 9.144567 21.11712 8.628240 -2.128885 
12.57257 
1 1 1 1   -3  0  o 120.3082 1.508471  3021.478       74.97212 2944.343       
97.10945 3135.290       117.9591 118.4207 1.953237 122.1957 2.299305 -3.775017 
3.016943 
1 1 1 1   -3  1  o 91.76284 2.066185  1745.007       76.81360 1855.747       
128.2726 1683.094       95.91202 93.99790 3.250401 89.52778 2.551739 4.470123 
4.132370 
1 1 1 1   -3  2  o 228.4958 4.081688  11066.87       321.8136 11134.73       
363.8621 10823.13       689.6145 230.2283 3.764429 226.7633 7.243603 3.465012 
8.163377 
1 1 1 1   -3  3  o 384.1804 8.403687  31143.59       1353.431 32296.19       
1980.547 30133.78       1853.814 390.7925 12.07147 377.5683 11.69477 13.22415 
16.80737 
1 1 1 1   -3  4  o 164.9043 3.218243  5833.916       211.6253 6127.768       
264.8814 5315.322       351.8841 170.7953 3.693999 159.0132 5.270932 11.78204 
6.436486 
1 1 1 1   -3  5  o 136.8253 3.196500  3930.047       183.5259 3802.634       
254.7224 4067.588       264.6519 134.5218 4.510197 139.1287 4.530845 -4.606949 
6.392999 
1 1 1 1   -3  6  o 95.15669 2.601342  1900.246       103.8642 1990.749       
149.3248 1815.422       144.5633 97.34995 3.653570 92.96344 3.703965 4.386505 
5.202685 
1 1 1 1   -3  7  o 154.7381 3.334789  4970.049       195.2136 5174.651       
370.4063 4891.365       229.7038 156.8787 5.623872 152.5975 3.585434 4.281204 
6.669578 
1 1 1 1   -3  8  o 215.4658 3.306262  9765.376       298.7988 10169.96       
420.2321 9351.681       424.9378 219.9900 4.549958 210.9416 4.798265 9.048431 
6.612524 
1 1 1 1   -3  9  o 179.3713 2.597971  6703.036       190.7233 6518.354       
242.3697 7003.374       309.0805 176.1662 3.277002 182.5764 4.032255 -6.410187 
5.195942 
1 1 1 1   -3  10 o 322.2065 4.800635  21909.10       559.5060 21722.80       
1124.701 21970.37       644.9782 321.0925 8.343106 323.3206 4.751522 -2.228058 
9.601270 
1 1 1 1   -3  11 o 404.9487 5.836148  34513.46       987.3603 34175.39       
1329.098 34929.80       1474.939 402.8085 7.859219 407.0889 8.629901 -4.280457 
11.67230 
1 1 1 1   -3  12 o 227.9365 4.508395  10857.57       389.1022 11103.35       
733.9153 10761.48       458.9068 229.6059 7.613495 226.2671 4.830856 3.338745 
9.016789 
1 1 1 1   -3  13 o 283.8512 5.732760  16525.85       600.2070 17940.02       
1196.986 16050.85       693.7228 291.4862 9.781202 276.2162 5.982160 15.27005 
11.46552 
1 1 1 1   -3  14 o 216.8999 3.085484  9914.938       273.6752 10008.00       
350.3519 9769.265       438.3355 218.2411 3.823745 215.5587 4.843533 2.682419 
6.170967 
1 1 1 1   -3  15 f 191.4869 3.785315  7691.299       274.5810 7767.154       
515.9237 7661.323       324.3296 192.0530 6.398606 190.9207 4.046267 1.132294 
7.570630 
1 1 1 1   -3  16 o 167.5889 3.356360  6005.094       221.2329 5624.348       
381.2376 6198.410       271.6509 163.4536 5.555490 171.7242 3.767911 -8.270615 
6.712721 
1 1 1 1   -3  17 o 177.8899 4.272389  6825.758       273.4462 6367.052       
545.1030 6980.003       316.0950 173.6075 7.478786 182.1722 4.132916 -8.564667 
8.544778 
1 1 1 1   -3  18 o 128.1295 4.418005  3455.911       237.6590 0.000000       
0.000000 3455.911       237.6590 ?        ?        128.1295 4.418005 ? ? 
1 1 1 1   -3  19 o 194.0355 11.16855  8082.760       909.8228 0.000000       
0.000000 8082.760       909.8228 ?        ?        194.0355 11.16855 ? ? 
1 1 1 1   -3  20 o 95.19160 3.502100  1902.380       133.7913 1948.062       
226.3202 1877.839       165.8799 95.98986 5.615896 94.39333 4.185752 1.596527 
7.004200 
1 1 1 1   -3  21 o 109.8544 3.647895  2618.550       148.5666 2405.699       
281.6772 2700.584       174.8675 106.4893 6.300380 113.2194 3.678827 -6.730080 
7.295790 
1 1 1 1   -3  22 o 106.0035 3.408046  2280.758       142.7531 2647.114       
256.0672 2115.558       171.9527 111.8447 5.453304 100.1623 4.089082 11.68239 
6.816092 
1 1 1 1   -3  23 o 60.85699 3.824166  758.9189       88.36572 841.9747       
168.9308 727.6324       103.6817 62.98100 6.388816 58.73297 4.204761 4.248028 
7.648333 
1 1 1 1   -3  24 o 82.86751 3.752302  1374.457       115.7135 1628.933       
231.7856 1289.981       133.5457 87.54633 6.306226 78.18870 4.068243 9.357628 
7.504605 
1 1 1 1   -3  25 o 168.3355 4.869183  5950.339       283.9417 6269.687       
614.1865 5863.534       320.2154 170.2576 8.592406 166.4134 4.583265 3.844208 
9.738366 
1 1 1 1   -3  26 o 71.91869 3.892519  1123.665       104.8462 1056.553       
196.5281 1150.365       123.9603 70.12229 6.675588 73.71508 4.005413 -3.592789 
7.785038 
1 1 1 1   -3  27 o 43.62881 5.512421  439.9615       86.28822 384.6953       
164.4242 460.9671       101.3687 40.80403 9.722744 46.45360 5.197632 -5.649570 
11.02484 
1 1 1 1   -3  28 o 91.31607 3.024527  1772.547       106.3139 1788.090       
193.9907 1765.875       127.1006 91.32919 5.059323 91.30295 3.315767 
0.2623749E-01  6.049054 
1 1 1 1   -3  29 o 88.86199 2.970806  1659.356       102.6145 1768.634       
186.4123 1611.846       122.9130 90.62556 4.899422 87.09842 3.361311 3.527145 
5.941611 
1 1 1 1   -3  30 o 16.90006 5.398827  -23.76814      70.57127 -51.06252      
146.0303 -15.45134      80.60917 18.88845 8.559716 14.91168 6.581837 3.976775 
10.79765 
1 1 1 1   -3  31 o 29.69592 6.274921  202.7154       75.56609 238.1976       
155.6611 191.7753       86.43404 30.92314 10.26613 28.46870 7.218383 2.454439 
12.54984 
1 1 1 1   -3  32 o 24.17100 6.107894  136.9843       76.38215 58.56610       
159.6069 160.2789       86.99039 22.55072 9.600325 25.79127 7.553758 -3.240551 
12.21579 
1 1 1 1   -3  33 o 96.68997 3.531854  2099.567       117.0406 2044.735       
249.4362 2115.048       132.5366 94.22320 6.305547 99.15675 3.183718 -4.933548 
7.063709 
1 1 1 1   -3  34 o 54.20963 4.559110  648.3339       86.59880 780.6894       
187.0928 612.2458       97.69405 55.92725 7.968099 52.49202 4.432981 3.435238 
9.118219 
1 1 1 1   -3  35 o 27.75678 6.285977  229.9006       83.67680 181.0441       
153.6342 250.5061       99.77394 24.97709 9.888832 30.53646 7.763057 -5.559372 
12.57195 
1 1 1 1   -2  0  o 134.8408 2.579620  3816.141       145.3006 4356.868       
209.7349 3317.114       201.4854 144.0223 3.468663 125.6593 3.819180 18.36303 
5.159240 
1 1 1 1   -2  1  o 147.5116 2.696028  4486.284       147.3455 4751.559       
290.2970 4394.226       171.0115 150.3696 4.598366 144.6536 2.815900 5.716034 
5.392056 
1 1 1 1   -2  2  o 339.8304 7.084251  24357.55       1010.516 23958.73       
1411.433 24776.96       1447.419 336.9847 9.976335 342.6761 10.06078 -5.691315 
14.16850 
1 1 1 1   -2  3  o 372.0659 5.552993  29660.52       811.8290 27667.84       
1399.782 30670.51       996.5504 362.2671 9.203493 381.8646 6.215999 -19.59747 
11.10599 
1 1 1 1   -2  4  o 186.7240 4.022781  7361.854       313.1380 7627.455       
423.1664 7040.385       465.5496 190.4829 5.291468 182.9650 6.060647 7.517914 
8.045563 
1 1 1 1   -2  5  o 179.8188 3.834638  6820.171       282.2464 6695.796       
450.4474 6900.569       362.1570 178.4338 6.012957 181.2039 4.760477 -2.770081 
7.669276 
1 1 1 1   -2  6  o 512.9813 11.04504  55907.08       2378.297 57320.85       
3398.735 54550.59       3329.182 519.3467 15.58766 506.6158 15.65236 12.73096 
22.09008 
1 1 1 1   -2  7  o 109.9108 2.552726  2547.352       109.4078 2511.094       
194.3013 2564.185       132.3908 109.3221 4.233395 110.4994 2.853771 -1.177238 
5.105452 
1 1 1 1   -2  8  o 40.34226 2.145091  326.2207       34.03468 386.0419       
61.86664 300.2592       40.75624 42.87074 3.437294 37.81379 2.567231 5.056946 
4.290182 
1 1 1 1   -2  9  o 111.9525 2.586832  2645.788       113.8551 2595.577       
198.8616 2670.273       138.8679 111.1446 4.261708 112.7604 2.933366 -1.615822 
5.173663 
1 1 1 1   -2  10 o 587.7548 10.82882  72833.01       2335.033 74610.00       
4624.551 72224.95       2705.198 590.8034 18.64437 584.7062 11.02002 6.097168 
21.65764 
1 1 1 1   -2  11 o 495.6068 6.906896  51789.96       1398.371 51671.09       
1782.009 51980.47       2255.965 495.1577 8.572105 496.0558 10.83235 
-0.8981934     13.81379 
1 1 1 1   -2  12 o 302.7994 4.014637  19393.41       490.1786 19693.82       
615.6182 18873.04       810.2346 306.1000 4.790372 299.4988 6.443722 6.601196 
8.029273 
1 1 1 1   -2  13 o 108.6951 1.976025  2454.770       87.66979 2591.918       
143.4356 2372.978       110.7689 111.0876 3.075476 106.3026 2.481963 4.785027 
3.952049 
1 1 1 1   -2  14 o 212.4536 2.639846  9393.455       213.7544 9697.203       
399.7757 9271.851       252.9486 214.7975 4.433107 210.1096 2.867526 4.687912 
5.279692 
1 1 1 1   -2  15 o 262.5928 3.140894  14547.45       342.6138 14115.87       
519.6873 14879.24       455.6599 259.1068 4.777320 266.0788 4.078980 -6.972015 
6.281788 
1 1 1 1   -2  16 o 214.9425 3.223496  9720.505       290.7166 9497.003       
415.1496 9935.565       407.2352 212.5089 4.653166 217.3760 4.462259 -4.867096 
6.446992 
1 1 1 1   -2  17 o 171.1631 2.890672  6080.352       204.7988 5715.289       
264.9608 6622.133       322.7826 164.8818 3.827630 177.4443 4.332804 -12.56253 
5.781344 
1 1 1 1   -2  18 o 213.9668 2.741717  9640.246       212.1023 9605.975       
427.2266 9651.456       244.3413 213.6104 4.763837 214.3231 2.715494 
-0.7127228     5.483435 
1 1 1 1   -2  19 o 119.8046 4.510804  3022.835       226.8853 0.000000       
0.000000 3022.835       226.8853 ?        ?        119.8046 4.510804 ? ? 
1 1 1 1   -2  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   -2  21 f 204.9086 4.981403  8748.924       387.4305 9333.258       
734.1708 8523.393       456.1098 209.0449 8.365245 200.7722 5.411116 8.272614 
9.962806 
1 1 1 1   -2  22 o 20.75907 5.739758  20.33410       67.48693 133.6048       
132.5050 -19.34028      78.42032 26.63582 9.437865 14.88232 6.534981 11.75350 
11.47952 
1 1 1 1   -2  23 o 35.65348 5.289630  275.1574       72.59449 278.3369       
131.5329 273.7647       87.05391 35.35463 8.868905 35.95233 5.767430 
-0.5977020     10.57926 
1 1 1 1   -2  24 o 186.4196 5.512749  7519.702       421.2906 6920.343       
655.8866 7940.662       549.6758 179.6205 8.697490 193.2187 6.776081 -13.59818 
11.02550 
1 1 1 1   -2  25 o 66.80795 3.880296  909.6482       99.77509 1041.255       
187.5213 857.6769       117.8402 69.91793 6.388268 63.69796 4.406452 6.219975 
7.760592 
1 1 1 1   -2  26 o 30.94160 6.199905  215.9664       80.05268 189.7785       
149.4353 226.5064       94.80336 30.03774 10.05874 31.84545 7.251004 -1.807709 
12.39981 
1 1 1 1   -2  27 o 57.12775 4.142182  708.9122       91.17013 672.6793       
163.3190 725.3146       109.8854 55.81756 6.969265 58.43795 4.478844 -2.620384 
8.284365 
1 1 1 1   -2  28 o 30.60078 5.573430  219.3979       67.73566 182.0571       
129.1320 233.5723       79.55965 28.77082 9.350477 32.43074 6.068035 -3.659918 
11.14686 
1 1 1 1   -2  29 o 41.85601 4.869301  413.6240       71.99641 340.2259       
135.8986 442.2623       84.88792 38.23765 8.664331 45.47437 4.446316 -7.236717 
9.738602 
1 1 1 1   -2  30 o 87.46036 3.403475  1581.429       109.6786 1800.667       
220.6961 1509.524       126.3913 90.77626 5.790864 84.14445 3.577773 6.631805 
6.806950 
1 1 1 1   -2  31 o 21.08837 5.882051  76.83150       69.62246 10.82496       
155.3521 93.42056       77.88150 21.23439 9.261835 20.94234 7.253448 0.2920494 
11.76410 
1 1 1 1   -2  32 o 78.46729 3.399901  1304.545       96.27118 1436.777       
197.8540 1263.527       110.1958 80.18513 5.877222 76.74944 3.419879 3.435684 
6.799802 
1 1 1 1   -2  33 o 44.45300 5.572692  500.3499       82.20213 432.3477       
171.7876 520.5444       93.61555 40.24385 10.15986 48.66215 4.582240 -8.418297 
11.14538 
1 1 1 1   -2  34 o 24.41917 6.264177  139.1293       76.30691 161.9815       
148.9898 131.0035       88.84374 25.65124 9.839014 23.18711 7.755866 2.464128 
12.52835 
1 1 1 1   -2  35 o 18.94904 5.164100  53.94252       73.68203 -245.7579      
154.1154 142.7450       83.89095 14.34732 7.073717 23.55076 7.525573 -9.203446 
10.32820 
1 1 1 1   -2  36 o 32.10527 6.561217  332.1441       99.31436 229.5578       
167.8276 387.4276       123.2018 26.51470 10.38322 37.69584 8.024154 -11.18114 
13.12243 
1 1 1 1   -1  0  o 224.8210 3.757375  10827.73       310.8286 10203.41       
601.0263 11055.68       363.1656 220.2327 6.500290 229.4094 3.770636 -9.176727 
7.514750 
1 1 1 1   -1  1  o 358.8931 5.458869  27079.29       822.5203 27079.29       
822.5203 0.000000       0.000000 358.8931 5.458869 ?        ?        ? ? 
1 1 1 1   -1  2  o 111.0086 2.084421  2581.928       97.01830 2767.189       
140.8538 2414.695       133.8251 114.7891 2.922732 107.2282 2.972690 7.560890 
4.168843 
1 1 1 1   -1  3  o 116.7906 2.970602  2835.174       144.2789 2657.903       
189.1757 3081.660       223.0703 112.4781 4.006072 121.1031 4.387402 -8.625053 
5.941204 
1 1 1 1   -1  4  o 407.1989 6.629452  35080.71       853.9128 35143.14       
938.6514 34781.07       2056.552 408.8514 5.468395 405.5463 12.07871 3.305176 
13.25890 
1 1 1 1   -1  5  o 189.7436 3.626685  7505.526       271.7901 7750.185       
476.4256 7387.489       330.9214 191.9754 5.911130 187.5118 4.203559 4.463577 
7.253369 
1 1 1 1   -1  6  o 406.7394 6.040777  34237.46       835.9891 35923.45       
1857.395 33809.15       936.1740 412.4728 10.72581 401.0059 5.560667 11.46692 
12.08155 
1 1 1 1   -1  7  o 58.89527 2.021481  618.3165       42.08794 945.9084       
95.50278 539.3583       46.88655 67.10777 3.389724 50.68277 2.203479 16.42499 
4.042963 
1 1 1 1   -1  8  o 219.4590 3.306175  10120.07       304.5904 9925.590       
428.2480 10319.17       433.3083 217.3246 4.693616 221.5934 4.657591 -4.268799 
6.612351 
1 1 1 1   -1  9  o 298.5156 4.540224  18703.23       565.5608 18373.33       
756.1379 19122.16       852.0766 295.5659 6.093513 301.4653 6.732283 -5.899445 
9.080448 
1 1 1 1   -1  10 o 385.6092 5.199989  31195.84       828.6024 30717.59       
1076.462 31891.24       1298.038 382.0852 6.710569 389.1332 7.945300 -7.047943 
10.39998 
1 1 1 1   -1  11 o 353.1234 5.244426  26167.67       770.5821 25640.47       
1019.096 26871.54       1177.528 349.0457 6.954306 357.2012 7.851985 -8.155518 
10.48885 
1 1 1 1   -1  12 o 43.35080 2.082196  394.4511       37.78061 391.7776       
51.37531 397.5995       55.75240 43.19170 2.833187 43.50991 3.052084 
-0.3182106     4.164392 
1 1 1 1   -1  13 f 138.1048 2.058641  4024.919       118.7268 3764.376       
173.4808 4254.464       162.8344 133.8764 3.086514 142.3332 2.724967 -8.456711 
4.117282 
1 1 1 1   -1  14 o 624.0239 8.512778  82669.10       2216.734 80457.45       
3296.794 84494.13       2994.793 616.0570 12.74653 631.9908 11.28696 -15.93384 
17.02556 
1 1 1 1   -1  15 o 233.5109 3.228751  11551.62       311.7268 10903.22       
477.0450 12034.82       411.8105 227.7161 4.989840 239.3056 4.098884 -11.58951 
6.457503 
1 1 1 1   -1  16 o 185.6794 2.322874  7263.765       180.1455 7469.307       
244.7347 7020.699       266.1373 188.5632 3.091432 182.7957 3.467855 5.767502 
4.645748 
1 1 1 1   -1  17 o 94.06457 2.105137  1856.877       83.08586 1775.330       
115.4876 1944.370       119.6238 91.92572 2.992399 96.20341 2.961750 -4.277695 
4.210274 
1 1 1 1   -1  18 o 205.7900 5.233295  8831.426       398.1537 9186.155       
783.0197 8707.725       462.3936 208.2471 8.956013 203.3329 5.416582 4.914230 
10.46659 
1 1 1 1   -1  19 o 65.12373 2.168923  887.0242       59.13306 983.3947       
86.94451 804.0779       80.66201 68.39968 3.027674 61.84779 3.106461 6.551891 
4.337847 
1 1 1 1   -1  20 o 64.56322 2.436788  873.5574       65.83566 837.9689       
88.91119 916.7548       97.95595 63.11669 3.355315 66.00974 3.534629 -2.893055 
4.873576 
1 1 1 1   -1  21 o 246.9344 7.638728  12970.64       791.9205 0.000000       
0.000000 12970.64       791.9205 ?        ?        246.9344 7.638728 ? ? 
1 1 1 1   -1  22 o 105.1088 2.595455  2337.704       112.9074 2391.805       
148.6990 2264.046       173.5064 106.5852 3.323012 103.6323 3.987875 2.952957 
5.190911 
1 1 1 1   -1  23 o 96.17085 2.588233  1953.703       104.1013 2018.190       
142.5900 1880.100       152.3355 97.89240 3.469455 94.44930 3.841701 3.443108 
5.176465 
1 1 1 1   -1  24 o 199.7812 4.117998  8425.979       337.8448 8312.046       
433.4491 8602.337       539.2704 198.2516 5.207660 201.3108 6.380588 -3.059204 
8.235995 
1 1 1 1   -1  25 o 95.16603 3.352350  1960.198       129.3264 1716.501       
204.2618 2123.251       167.0804 90.01049 5.405242 100.3216 3.966910 -10.31108 
6.704701 
1 1 1 1   -1  26 o 129.3006 3.354160  3570.938       177.8807 3401.742       
279.7387 3685.791       230.4791 126.5692 5.264359 132.0320 4.157894 -5.462776 
6.708320 
1 1 1 1   -1  27 o 89.41795 3.371398  1536.579       108.2040 2023.865       
233.8275 1403.798       122.0591 97.33759 5.721844 81.49830 3.567326 15.83929 
6.742797 
1 1 1 1   -1  28 o 65.02870 3.629173  868.0804       88.77645 983.3990       
172.9405 826.8198       103.4464 67.61885 6.091860 62.43855 3.946241 5.180305 
7.258345 
1 1 1 1   -1  29 o 50.63545 4.617092  608.0708       84.20362 455.1806       
147.5588 681.8979       102.5376 44.72110 8.161938 56.54980 4.318902 -11.82870 
9.234183 
1 1 1 1   -1  30 o 56.32522 4.096105  741.2001       85.68640 568.6591       
152.2088 821.2505       103.6752 50.64064 7.159153 62.00980 3.982315 -11.36917 
8.192210 
1 1 1 1   -1  31 o 125.3450 3.785371  3411.971       179.7305 3468.928       
336.4244 3389.222       212.6146 125.0343 6.408841 125.6558 4.030248 
-0.6214981     7.570742 
1 1 1 1   -1  32 o 49.98396 4.560360  522.1954       78.66406 636.2395       
175.3714 493.4697       88.01532 52.26640 7.992031 47.70151 4.394883 4.564896 
9.120721 
1 1 1 1   -1  33 o 59.50321 4.040076  725.3574       89.64825 952.1512       
181.5042 652.1770       103.1022 64.40257 6.712811 54.60385 4.497446 9.798721 
8.080152 
1 1 1 1   -1  34 o 50.51274 4.701844  586.6912       88.03491 609.9623       
169.6393 578.1140       102.9886 49.99378 8.082234 51.03171 4.806956 -1.037933 
9.403687 
1 1 1 1   -1  35 o 81.52753 4.049616  1552.095       132.5257 1461.653       
216.8729 1605.994       167.4208 78.40926 6.588081 84.64580 4.711131 -6.236534 
8.099233 
1 1 1 1   -1  36 o 38.54211 6.301960  399.6319       96.73781 517.8876       
164.1156 336.6665       119.7538 42.11388 9.506810 34.97033 8.275227 7.143543 
12.60392 
1 1 1 1   0   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   0   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   0   2  o 294.0014 6.191835  18229.15       762.7968 18453.28       
1050.378 17979.05       1109.569 295.9538 8.453618 292.0490 9.049398 3.904785 
12.38367 
1 1 1 1   0   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   0   4  o 115.2276 1.800783  2677.609       84.88088 2328.533       
106.3877 3289.001       140.7963 105.3059 2.406356 125.1492 2.679688 -19.84332 
3.601566 
1 1 1 1   0   5  o 367.3853 4.299857  28408.83       662.5280 27792.14       
952.5403 28986.75       922.1124 363.5016 6.241631 371.2691 5.915836 -7.767487 
8.599713 
1 1 1 1   0   6  o 364.9335 5.381985  27984.38       822.4097 28751.89       
1214.477 27334.34       1117.671 369.5150 7.828493 360.3521 7.387676 9.162872 
10.76397 
1 1 1 1   0   7  o 182.1710 2.861469  6879.847       215.8611 7513.652       
339.8073 6451.045       279.5005 189.1030 4.280115 175.2390 3.799031 13.86395 
5.722938 
1 1 1 1   0   8  o 184.5874 2.291084  7153.527       172.3122 7144.937       
218.6782 7167.596       279.8585 184.4532 2.823842 184.7216 3.608625 
-0.2684326     4.582168 
1 1 1 1   0   9  o 188.7050 2.318861  7359.197       165.9142 7205.475       
195.2832 7758.100       314.5800 185.2408 2.511015 192.1692 3.899137 -6.928421 
4.637722 
1 1 1 1   0   10 o 183.5398 2.666629  7052.696       197.6972 7164.159       
329.0645 6989.740       247.3037 184.6526 4.244696 182.4269 3.228962 2.225784 
5.333258 
1 1 1 1   0   11 o 108.2485 1.958085  2415.701       87.99080 2173.512       
114.4471 2765.814       137.6042 101.7360 2.679484 114.7609 2.856003 -13.02491 
3.916171 
1 1 1 1   0   12 o 504.9655 7.598573  53861.56       1609.139 53809.50       
2330.288 53909.00       2224.714 504.6582 10.99850 505.2727 10.48744 
-0.6145630     15.19715 
1 1 1 1   0   13 o 500.9386 6.257326  52962.09       1292.487 52608.39       
2024.670 53205.38       1679.142 499.3173 9.658254 502.5599 7.958307 -3.242615 
12.51465 
1 1 1 1   0   14 o 255.9651 3.486636  13695.55       368.9914 14208.77       
578.8868 13344.34       478.8860 259.9526 5.304209 251.9777 4.526798 7.974899 
6.973272 
1 1 1 1   0   15 o 154.4781 2.103861  5009.159       136.3441 4938.736       
188.6517 5086.167       197.2767 153.3434 2.930332 155.6127 3.019615 -2.269333 
4.207722 
1 1 1 1   0   16 f 217.9720 3.460346  9990.219       316.6581 10057.66       
449.4973 9923.774       446.1656 218.7021 4.895480 217.2418 4.891856 1.460251 
6.920692 
1 1 1 1   0   17 o 206.7162 3.295631  8969.260       285.6630 8653.271       
392.2378 9326.169       416.8629 202.8510 4.605675 210.5814 4.715136 -7.730392 
6.591263 
1 1 1 1   0   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   0   19 o 123.5760 1.981781  3190.985       102.2044 3055.359       
136.1193 3366.261       154.7428 120.5878 2.688670 126.5643 2.912196 -5.976448 
3.963563 
1 1 1 1   0   20 o 74.59055 2.137275  1161.708       66.64956 1256.471       
100.0191 1086.020       89.38780 77.30572 3.081713 71.87538 2.962233 5.430336 
4.274550 
1 1 1 1   0   21 o 32.24535 3.703261  219.3273       47.68481 304.2999       
72.42130 154.2939       63.35703 37.99232 4.540373 26.49837 5.851630 11.49395 
7.406522 
1 1 1 1   0   22 o 89.47542 2.479285  1672.156       91.15651 1621.927       
116.6495 1750.942       146.0935 87.78924 3.164920 91.16160 3.817158 -3.372360 
4.958570 
1 1 1 1   0   23 o 85.69633 3.306305  1546.246       118.9554 1546.246       
118.9554 0.000000       0.000000 85.69633 3.306305 ?        ?        ? ? 
1 1 1 1   0   24 o 150.2570 3.280799  4684.689       195.5615 4524.235       
238.2218 5016.292       342.4653 146.5112 3.872861 154.0028 5.296745 -7.491653 
6.561597 
1 1 1 1   0   25 o 110.3710 2.580670  2575.292       118.5577 2634.037       
158.6934 2501.090       178.3555 111.8305 3.380024 108.9114 3.900624 2.919029 
5.161340 
1 1 1 1   0   26 o 59.78667 2.950661  754.5955       73.71547 748.8797       
99.37498 761.5886       109.9195 59.55307 3.974605 60.02028 4.362124 
-0.4672089     5.901323 
1 1 1 1   0   27 o 187.0584 2.830732  7419.233       221.6491 7669.800       
305.2754 7139.872       322.3385 190.4719 3.817526 183.6450 4.180750 6.826904 
5.661464 
1 1 1 1   0   28 o 43.40564 4.688238  409.9733       73.98007 415.9727       
140.9123 407.6903       86.92316 43.03719 8.096149 43.77409 4.729764 
-0.7368927     9.376476 
1 1 1 1   0   29 o 48.39995 4.241851  406.6390       75.08778 736.3700       
163.4937 318.4976       84.53007 58.24577 6.685867 38.55413 5.222295 19.69164 
8.483702 
1 1 1 1   0   30 o 37.28067 5.922876  339.4289       82.62666 263.7781       
163.0118 365.5855       95.85243 33.45121 10.46323 41.11013 5.553609 -7.658924 
11.84575 
1 1 1 1   0   31 o 60.57901 3.756926  731.6586       85.22440 950.6698       
171.5368 659.8806       98.20191 65.71067 6.217882 55.44734 4.218522 10.26333 
7.513853 
1 1 1 1   0   32 o 38.80236 5.368940  329.1574       76.29172 399.6041       
151.1727 305.0844       88.37069 40.41106 9.125499 37.19366 5.659270 3.217400 
10.73788 
1 1 1 1   0   33 o 62.44250 4.478353  967.3201       100.4735 679.6575       
180.0970 1097.308       121.0644 53.69980 7.988309 71.18520 4.050866 -17.48540 
8.956706 
1 1 1 1   0   34 o 21.88552 6.146008  63.41329       78.08935 173.9448       
147.6342 20.47672       92.01482 26.68979 9.903474 17.08125 7.281131 9.608538 
12.29202 
1 1 1 1   0   35 o 26.58521 6.913151  178.4655       100.7137 228.6751       
156.5409 143.0041       131.5565 28.78569 10.25230 24.38472 9.276688 4.400974 
13.82630 
1 1 1 1   0   36 o 79.18488 4.508514  1518.103       148.7001 1344.888       
212.2825 1684.975       208.3598 73.96170 6.836415 84.40804 5.879646 -10.44634 
9.017029 
1 1 1 1   1   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   1   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   1   2  o 186.7103 3.580888  7330.700       276.4313 7308.521       
429.7006 7346.360       361.0627 186.4479 5.489459 186.9726 4.599660 
-0.5246887     7.161776 
1 1 1 1   1   3  o 102.8235 1.767094  2219.687       76.26364 2291.996       
108.6024 2149.339       107.1191 104.4756 2.475971 101.1714 2.521913 3.304161 
3.534187 
1 1 1 1   1   4  o 338.9447 2.780697  23769.19       351.5294 23351.52       
409.8383 24931.79       683.7693 333.4559 2.927489 344.4335 4.728521 -10.97757 
5.561394 
1 1 1 1   1   5  o 321.7766 2.932570  21810.33       373.1160 21585.54       
645.8699 21922.93       457.1085 320.4811 4.800249 323.0720 3.370086 -2.590942 
5.865140 
1 1 1 1   1   6  o 507.0641 5.225149  54228.22       1094.364 54723.96       
1428.808 53524.67       1702.162 510.0027 6.673018 504.1254 8.042360 5.877380 
10.45030 
1 1 1 1   1   7  o 322.3108 3.220072  21919.31       421.9589 22195.07       
535.6240 21468.22       685.0598 325.0374 3.925072 319.5842 5.105805 5.453278 
6.440143 
1 1 1 1   1   8  o 139.5169 2.161220  4064.629       125.4912 4258.721       
192.3379 3920.761       165.5927 142.3969 3.217256 136.6370 2.886649 5.759842 
4.322439 
1 1 1 1   1   9  o 146.5917 1.762971  4512.282       108.3382 4510.469       
149.1694 4514.305       157.6052 146.5619 2.424264 146.6216 2.560316 
-0.5976868E-01 3.525943 
1 1 1 1   1   10 o 210.3278 2.746075  9311.257       240.7121 9446.870       
322.8123 9141.417       361.2598 212.0666 3.625759 208.5891 4.125238 3.477448 
5.492151 
1 1 1 1   1   11 o 203.8755 2.732890  8761.158       231.5515 8949.104       
308.2314 8517.699       350.8118 206.4058 3.556936 201.3453 4.150055 5.060516 
5.465780 
1 1 1 1   1   12 f 164.1627 2.152529  5647.662       148.1936 5351.203       
204.2289 5977.347       215.3695 159.6224 3.047505 168.7030 3.040762 -9.080597 
4.305057 
1 1 1 1   1   13 f 94.55455 1.874094  1877.588       74.17508 1876.435       
109.1754 1878.576       101.0894 94.52618 2.751020 94.58291 2.545741 
-0.5672455E-01 3.748187 
1 1 1 1   1   14 o 305.5190 3.717298  19565.69       476.0529 18240.28       
653.8498 21060.88       694.4652 294.5387 5.287577 316.4994 5.226352 -21.96075 
7.434597 
1 1 1 1   1   15 o 238.1325 2.449676  11900.90       231.9494 11949.18       
398.4521 11876.15       285.2661 238.4693 3.979831 237.7957 2.857375 0.6735687 
4.899352 
1 1 1 1   1   16 o 64.35364 2.146259  871.5078       57.87426 818.5854       
82.50945 922.7630       81.19942 62.42538 3.148209 66.28189 2.917958 -3.856514 
4.292517 
1 1 1 1   1   17 o 56.54121 2.415564  656.8559       56.70319 793.3165       
88.06227 560.2077       74.11109 61.44676 3.413595 51.63565 3.418650 9.811104 
4.831128 
1 1 1 1   1   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   1   19 o 168.8833 2.901310  5998.715       205.2752 6005.124       
300.3166 5993.094       281.2285 168.9572 4.233736 168.8095 3.968108 0.1476135 
5.802620 
1 1 1 1   1   20 o 28.51598 3.795139  173.8365       44.12286 226.9490       
65.06049 128.6050       60.03976 32.82563 4.720905 24.20633 5.943516 8.619305 
7.590279 
1 1 1 1   1   21 o 217.8336 2.662296  9871.929       218.7194 9727.471       
256.9464 10251.98       416.7677 215.0999 2.845269 220.5674 4.500635 -5.467560 
5.324591 
1 1 1 1   1   22 o 127.2535 2.098510  3418.169       111.3289 3298.211       
165.9589 3516.317       150.1163 125.1991 3.157335 129.3080 2.765180 -4.108948 
4.197021 
1 1 1 1   1   23 o 115.4927 2.386575  2782.069       112.6932 2696.135       
142.8659 2923.602       183.3469 113.1912 3.006333 117.7941 3.707414 -4.602890 
4.773149 
1 1 1 1   1   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   1   25 o 95.17480 2.471319  1902.348       97.95806 1865.020       
129.9633 1951.452       149.0589 94.11547 3.289127 96.23415 3.689351 -2.118675 
4.942637 
1 1 1 1   1   26 o 105.0725 2.649746  2316.541       116.3430 2213.145       
155.8470 2446.700       174.8569 102.4537 3.623195 107.6913 3.867437 -5.237595 
5.299491 
1 1 1 1   1   27 o 76.93970 2.514399  1251.000       81.11535 1286.384       
112.9483 1213.313       116.5661 78.07751 3.445680 75.80188 3.662800 2.275627 
5.028799 
1 1 1 1   1   28 o 69.01837 2.655704  1007.252       76.88282 994.8431       
106.2125 1020.910       111.4327 68.58163 3.688833 69.45512 3.821460 
-0.8734894     5.311408 
1 1 1 1   1   29 o 49.09811 3.072507  513.9927       62.77624 430.8059       
87.68229 601.4757       89.91794 44.96624 4.644579 53.22997 4.023566 -8.263733 
6.145014 
1 1 1 1   1   30 o 75.68455 2.542897  1215.893       80.64890 1117.719       
112.6448 1319.142       115.5190 72.52605 3.699459 78.84304 3.489886 -6.316986 
5.085794 
1 1 1 1   1   31 o 64.85631 3.862792  942.8064       90.41714 852.7932       
176.7287 974.7211       105.2323 62.10664 6.777820 67.60597 3.707534 -5.499329 
7.725585 
1 1 1 1   1   32 o 23.44714 5.970963  116.7149       71.46578 81.05096       
138.8035 129.5793       83.36456 23.07666 9.301841 23.81763 7.489015 
-0.7409668     11.94193 
1 1 1 1   1   33 o 26.05962 5.235356  179.3756       74.04601 -58.94118      
144.7660 263.8149       86.17110 18.29565 8.361030 33.82358 6.303094 -15.52793 
10.47071 
1 1 1 1   1   34 o 27.74035 6.761645  155.7338       86.39115 300.7277       
171.7674 106.6358       99.95355 33.29335 10.78152 22.18735 8.163228 11.10601 
13.52329 
1 1 1 1   1   35 o 80.74350 4.192218  1496.707       139.8138 1465.670       
215.8684 1519.135       183.5038 79.36854 6.478312 82.11846 5.322617 -2.749924 
8.384436 
1 1 1 1   1   36 o 44.59328 6.223317  547.2541       111.9471 395.2855       
167.8730 668.9533       150.2269 36.52924 10.42796 52.65731 6.795322 -16.12807 
12.44663 
1 1 1 1   1   37 o 43.66447 7.012909  580.9157       123.6338 554.2599       
198.8231 597.7208       157.8666 40.58984 11.27264 46.73911 8.345732 -6.149269 
14.02582 
1 1 1 1   2   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   2   1  o 393.0108 3.793737  32447.11       625.9659 32447.11       
625.9659 0.000000       0.000000 393.0108 3.793737 ?        ?        ? ? 
1 1 1 1   2   2  o 137.7833 1.608727  3989.425       92.93896 4059.510       
128.8878 3913.510       134.1406 139.0460 2.207874 136.5206 2.340362 2.525375 
3.217453 
1 1 1 1   2   3  o 298.3217 3.795340  18688.62       474.1006 18983.46       
698.6343 18436.94       645.4755 300.4862 5.537916 296.1572 5.191329 4.329010 
7.590679 
1 1 1 1   2   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   2   5  o 100.2018 1.747108  2107.917       73.41257 2100.244       
101.3207 2116.396       106.5161 100.0106 2.413089 100.3930 2.527161 
-0.3823853     3.494215 
1 1 1 1   2   6  o 375.8803 4.952619  29381.67       756.8116 31112.62       
1251.771 28384.43       950.1301 384.3967 7.756509 367.3639 6.160383 17.03284 
9.905238 
1 1 1 1   2   7  o 287.6270 2.581509  17358.72       310.9881 17109.72       
424.0077 17648.63       457.5077 285.4030 3.538639 289.8510 3.759626 -4.448029 
5.163018 
1 1 1 1   2   8  o 158.0136 1.986385  5230.541       131.5661 5025.748       
179.9614 5465.668       192.8297 154.7002 2.770828 161.3271 2.847001 -6.626938 
3.972770 
1 1 1 1   2   9  o 130.6036 2.191741  3566.322       119.4578 3723.161       
180.6035 3444.337       159.2770 133.1421 3.230961 128.0651 2.962397 5.076996 
4.383481 
1 1 1 1   2   10 o 167.6686 1.951829  5842.216       127.3997 5742.545       
153.0528 6067.071       229.8846 165.3763 2.204393 169.9609 3.221676 -4.584564 
3.903658 
1 1 1 1   2   11 o 143.9585 2.020670  4355.148       121.0261 4329.941       
183.6446 4374.501       160.9129 143.5859 3.046403 144.3312 2.655533 
-0.7452850     4.041340 
1 1 1 1   2   12 o 349.6260 4.714551  25722.79       682.9205 25704.98       
1054.534 25735.66       896.2481 349.4553 7.187702 349.7968 6.102861 
-0.3415222     9.429103 
1 1 1 1   2   13 o 154.6137 2.270455  5017.514       147.2917 4927.053       
204.1154 5115.796       212.7571 153.1617 3.174290 156.0658 3.247113 -2.904068 
4.540910 
1 1 1 1   2   14 o 136.1293 1.606209  3837.909       90.55501 3589.631       
117.2543 4204.854       142.5473 130.7508 2.136021 141.5077 2.399385 -10.75694 
3.212419 
1 1 1 1   2   15 o 22.18606 4.187033  107.1583       40.79641 139.4643       
57.07175 73.40189       58.33880 25.25509 5.534031 19.11703 6.284861 6.138063 
8.374065 
1 1 1 1   2   16 o 172.0755 2.420478  6230.204       174.5446 6428.654       
242.1623 6015.632       251.8066 174.9366 3.297212 169.2144 3.544466 5.722244 
4.840955 
1 1 1 1   2   17 o 146.7466 2.265247  4511.204       139.0310 4663.997       
207.2002 4386.071       187.5100 148.9966 3.312341 144.4967 3.090918 4.499863 
4.530494 
1 1 1 1   2   18 o 158.0001 3.260946  5224.895       189.6641 5303.423       
373.5186 5197.612       220.1586 158.7245 5.605176 157.2757 3.334227 1.448837 
6.521892 
1 1 1 1   2   19 o 133.4224 2.451541  3718.082       134.4491 3856.066       
214.8611 3629.282       172.3653 135.4275 3.778958 131.4174 3.124050 4.010086 
4.903082 
1 1 1 1   2   20 o 19.73503 4.300677  55.64319       45.50829 152.9883       
70.64391 -13.40907      59.49858 26.39448 6.426239 13.07558 5.717230 13.31891 
8.601354 
1 1 1 1   2   21 o 113.4619 2.199930  2705.670       104.5438 2726.367       
153.5099 2687.769       142.7684 113.8600 3.211342 113.0638 3.007667 0.7961731 
4.399860 
1 1 1 1   2   22 o 56.79931 2.287002  677.2979       54.47556 713.9206       
79.29718 644.5670       74.96534 58.24978 3.242534 55.34884 3.226065 2.900944 
4.574005 
1 1 1 1   2   23 o 78.64162 2.066720  1282.271       67.73022 1112.722       
89.94451 1504.328       102.9342 72.72307 2.945937 84.56016 2.899446 -11.83709 
4.133441 
1 1 1 1   2   24 o 136.8160 2.538880  3945.483       145.7120 3762.771       
206.1795 4127.799       205.9566 133.6383 3.674816 139.9937 3.504195 -6.355453 
5.077761 
1 1 1 1   2   25 o 21.83456 7.451334  93.67818       82.00386 0.000000       
0.000000 93.67818       82.00386 ?        ?        21.83456 7.451334 ? ? 
1 1 1 1   2   26 o 149.2384 2.539136  4720.205       157.7098 4926.717       
212.4292 4466.601       235.4072 152.9404 3.308364 145.5364 3.852735 7.403961 
5.078271 
1 1 1 1   2   27 o 181.4039 3.309565  6956.840       249.1540 6891.403       
327.7275 7046.458       383.5301 180.5107 4.324451 182.2971 5.011187 -1.786423 
6.619129 
1 1 1 1   2   28 o 30.58221 4.599878  195.5352       61.93098 70.50584       
82.23219 359.3870       94.13728 20.10505 7.403597 41.05938 5.460977 -20.95433 
9.199756 
1 1 1 1   2   29 o 42.15132 3.449678  378.6953       61.04022 385.2607       
86.30165 372.1232       86.34619 42.52267 4.834144 41.77997 4.922618 0.7427025 
6.899356 
1 1 1 1   2   30 o 70.77975 2.542276  1061.510       75.44758 1085.741       
110.0102 1039.992       103.6698 71.52737 3.663379 70.03214 3.525949 1.495232 
5.084551 
1 1 1 1   2   31 o 57.23347 2.889152  695.3879       69.20118 761.8237       
102.8382 640.4105       93.55034 59.71196 4.102174 54.75498 4.069516 4.956974 
5.778304 
1 1 1 1   2   32 o 40.31439 3.722640  354.0976       62.77192 351.1209       
92.57664 356.6308       85.40252 40.09124 5.500130 40.53753 5.018044 
-0.4462891     7.445280 
1 1 1 1   2   33 o 19.15913 4.871393  46.76502       60.11605 140.7778       
81.61495 -64.73803      88.88319 24.54490 7.349629 13.77337 6.395688 10.77153 
9.742786 
1 1 1 1   2   34 f 55.01450 4.281705  652.6522       89.52446 756.0386       
171.2580 613.7773       105.0154 57.13948 7.138972 52.88951 4.729385 4.249969 
8.563411 
1 1 1 1   2   35 o 39.05650 7.103900  414.3643       116.0898 395.6040       
184.2005 426.7258       149.5225 37.38412 11.00561 40.72888 8.985442 -3.344757 
14.20780 
1 1 1 1   2   36 o 43.55126 6.374689  498.4215       111.2762 526.2402       
173.9100 479.1372       144.7965 43.86551 9.701703 43.23702 8.271856 0.6284828 
12.74938 
1 1 1 1   2   37 o 24.06825 6.627317  153.1561       110.5560 -32.39614      
190.5378 247.3314       135.7428 19.51371 9.153027 28.62280 9.586836 -9.109089 
13.25463 
1 1 1 1   3   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   3   1  o 204.2648 1.754183  8744.111       149.7728 8939.179       
223.5910 8585.347       201.7157 206.3245 2.581218 202.2051 2.376122 4.119385 
3.508367 
1 1 1 1   3   2  o 483.9287 3.738496  49194.95       759.5515 49194.95       
759.5515 0.000000       0.000000 483.9287 3.738496 ?        ?        ? ? 
1 1 1 1   3   3  o 461.3492 3.242551  44690.34       627.1074 45374.25       
915.2347 44085.11       860.9775 464.6620 4.691550 458.0365 4.477265 6.625549 
6.485102 
1 1 1 1   3   4  o 301.8680 2.457758  19135.18       311.4174 18902.83       
435.0384 19379.37       445.9871 299.9903 3.454152 303.7458 3.497302 -3.755493 
4.915515 
1 1 1 1   3   5  o 414.7239 4.120181  36153.89       716.6732 36459.83       
1038.914 35876.13       989.9179 416.3828 5.943031 413.0651 5.708234 3.317688 
8.240361 
1 1 1 1   3   6  o 153.1832 2.323280  4868.492       147.1131 5259.530       
232.6993 4608.146       189.8716 158.2390 3.502699 148.1275 3.053132 10.11148 
4.646559 
1 1 1 1   3   7  o 279.6180 3.508370  16420.64       411.3068 16201.89       
565.5452 16666.26       599.2701 277.6503 4.851658 281.5857 5.069127 -3.935394 
7.016739 
1 1 1 1   3   8  o 231.2747 2.223849  11224.21       215.1154 11341.31       
319.1235 11126.68       291.2252 232.3746 3.271080 230.1748 3.013646 2.199783 
4.447699 
1 1 1 1   3   9  o 224.9610 3.294998  10632.50       310.7663 10585.15       
427.8663 10685.38       452.1155 224.4373 4.540819 225.4848 4.775878 -1.047531 
6.589996 
1 1 1 1   3   10 o 111.8262 1.950911  2604.939       91.16453 2413.540       
121.9307 2847.571       137.2826 107.2064 2.709026 116.4460 2.808094 -9.239616 
3.901822 
1 1 1 1   3   11 o 44.13580 1.923635  409.5096       35.59529 433.0441       
50.23492 385.7784       50.44442 45.41124 2.634896 42.86037 2.803356 2.550869 
3.847269 
1 1 1 1   3   12 o 218.9059 2.965567  10077.11       272.2879 10327.02       
379.9650 9813.299       390.3932 221.7035 4.082181 216.1082 4.302808 5.595215 
5.931135 
1 1 1 1   3   13 o 108.6729 1.901078  2483.620       86.52520 2279.386       
122.1685 2689.173       122.5626 104.1821 2.793106 113.1636 2.579718 -8.981537 
3.802155 
1 1 1 1   3   14 o 267.2406 3.499027  14982.06       391.4990 15402.20       
578.7168 14627.54       531.6049 270.6773 5.092551 263.8039 4.799862 6.873352 
6.998054 
1 1 1 1   3   15 f 119.8105 1.820815  3013.696       91.56223 2984.427       
127.7291 3044.636       131.3228 119.2126 2.552047 120.4083 2.597794 -1.195679 
3.641631 
1 1 1 1   3   16 o 56.24422 2.206111  664.0330       52.06184 697.6520       
74.58880 632.0944       72.70062 57.63192 3.082703 54.85652 3.156683 2.775398 
4.412222 
1 1 1 1   3   17 o 107.8452 3.419728  2435.348       149.6178 2485.035       
246.7208 2406.447       188.1653 108.6890 5.406813 107.0014 4.188619 1.687515 
6.839455 
1 1 1 1   3   18 o 189.2360 2.288721  7451.406       174.6736 7781.508       
293.6720 7270.691       217.2882 192.4259 3.635131 186.0461 2.781870 6.379807 
4.577442 
1 1 1 1   3   19 o 213.3705 3.421577  9579.787       306.4840 9419.766       
432.0724 9741.843       434.8082 211.5744 4.864234 215.1665 4.813313 -3.592148 
6.843154 
1 1 1 1   3   20 o 384.9476 3.246307  31330.06       513.3603 30505.01       
809.0903 31886.03       664.1740 380.5727 5.063846 389.3226 4.063435 -8.749908 
6.492614 
1 1 1 1   3   21 o 157.8062 2.611383  5239.318       173.0104 5257.895       
244.9035 5220.812       244.4444 158.0857 3.689975 157.5266 3.696129 0.5590668 
5.222766 
1 1 1 1   3   22 o 158.3721 2.379132  5286.587       156.8238 5206.453       
236.9507 5349.049       209.1978 157.2767 3.588513 159.4675 3.124683 -2.190826 
4.758264 
1 1 1 1   3   23 f 59.25223 2.314296  737.0735       57.49243 701.5254       
78.85558 777.4123       84.00130 57.73201 3.253395 60.77245 3.292307 -3.040440 
4.628592 
1 1 1 1   3   24 f 88.59496 2.176524  1652.805       80.86122 1633.058       
116.8345 1670.960       112.0271 88.08060 3.159452 89.10931 2.994477 -1.028709 
4.353048 
1 1 1 1   3   25 o 88.23090 2.063140  1631.620       76.26395 1540.690       
103.8446 1738.083       112.3657 85.57448 2.890418 90.88733 2.944771 -5.312851 
4.126280 
1 1 1 1   3   26 o 118.7203 2.630330  2949.190       130.5834 2731.061       
175.4129 3220.342       195.5733 113.8382 3.670241 123.6025 3.768804 -9.764221 
5.260661 
1 1 1 1   3   27 o 41.05483 5.406788  357.6440       93.19285 357.6440       
93.19285 0.000000       0.000000 41.05483 5.406788 ?        ?        ? ? 
1 1 1 1   3   28 o 104.7422 2.417276  2314.447       106.2551 2369.979       
152.9640 2262.666       147.7086 105.9520 3.438754 103.5323 3.398215 2.419655 
4.834552 
1 1 1 1   3   29 f 53.99884 2.959169  614.2518       66.77664 539.0606       
90.66247 703.4106       98.72468 50.39818 4.284832 57.59951 4.082517 -7.201332 
5.918338 
1 1 1 1   3   30 o 39.94128 3.672709  344.0752       60.89058 285.8314       
86.11941 402.2997       86.10515 36.46844 5.624772 43.41413 4.724100 -6.945686 
7.345419 
1 1 1 1   3   31 o 17.03928 4.630225  -0.5790833     56.32375 -107.1986      
79.43513 107.2226       79.87429 11.73746 5.628094 22.34111 7.353945 -10.60365 
9.260450 
1 1 1 1   3   32 o 119.2459 2.649591  3033.001       132.5044 2950.674       
182.3411 3125.123       192.8820 117.5624 3.694344 120.9295 3.799098 -3.367111 
5.299182 
1 1 1 1   3   33 o 31.93924 4.590763  236.5990       60.96844 129.1250       
84.61414 352.6508       87.92599 23.73610 7.555230 40.14236 5.217175 -16.40626 
9.181525 
1 1 1 1   3   34 o 18.37646 4.628154  10.26000       60.55985 152.7262       
83.32195 -149.2778      88.17291 25.32315 7.385122 11.42977 5.580252 13.89338 
9.256309 
1 1 1 1   3   35 o 97.45679 3.356914  2099.132       134.7872 2111.714       
175.2062 2080.887       210.9740 98.29312 4.245681 96.62045 5.200931 1.672676 
6.713828 
1 1 1 1   3   36 o 69.78462 4.589958  1155.550       131.8638 1004.769       
196.2484 1279.655       178.0449 64.71405 7.223183 74.85519 5.665376 -10.14114 
9.179916 
1 1 1 1   3   37 o 73.49339 4.914106  1328.878       150.0248 1338.001       
228.3045 1321.945       199.0297 72.88699 7.460802 74.09981 6.397669 -1.212822 
9.828212 
1 1 1 1   4   0  o 264.7325 1.183085  14711.19       131.3832 14776.74       
189.9163 14651.03       181.9476 265.2972 1.705103 264.1678 1.640543 1.129486 
2.366169 
1 1 1 1   4   1  o 337.3532 2.428340  23946.91       338.1219 23670.00       
527.4479 24140.09       440.5516 335.6757 3.742663 339.0308 3.095128 -3.355103 
4.856680 
1 1 1 1   4   2  o 88.76299 1.336622  1652.646       49.39007 1666.186       
75.01739 1642.286       65.61858 89.08257 2.005812 88.44341 1.767187 0.6391678 
2.673244 
1 1 1 1   4   3  o 73.30420 1.293662  1073.159       38.70697 1379.021       
64.68061 902.5110       48.31285 81.04404 1.900965 65.56435 1.755157 15.47970 
2.587324 
1 1 1 1   4   4  o 434.6955 6.372098  39845.88       1134.625 39902.85       
1453.986 39757.17       1814.420 435.2903 7.956138 434.1008 9.955621 1.189514 
12.74420 
1 1 1 1   4   5  o 243.6041 3.302113  12466.30       337.4498 12583.26       
488.0545 12359.18       467.0880 244.6937 4.750799 242.5146 4.587561 2.179077 
6.604226 
1 1 1 1   4   6  o 153.7032 1.486511  4703.281       84.95959 4433.251       
98.04666 5517.100       170.2123 145.3142 1.607111 162.0921 2.501210 -16.77785 
2.973022 
1 1 1 1   4   7  o 211.1055 1.870096  9286.250       162.7228 8995.968       
209.4666 9728.057       258.4159 206.9832 2.410464 215.2277 2.859843 -8.244431 
3.740192 
1 1 1 1   4   8  o 88.63835 1.712043  1647.116       63.64774 1592.445       
87.65110 1708.099       92.57345 87.08514 2.397366 90.19155 2.444790 -3.106407 
3.424086 
1 1 1 1   4   9  o 199.9514 2.031854  8133.072       160.8818 7648.969       
194.6046 9178.288       285.9477 190.8585 2.428637 209.0443 3.258136 -18.18588 
4.063709 
1 1 1 1   4   10 o 166.3387 2.156811  5813.272       150.3670 5768.501       
218.6495 5853.447       207.1206 165.7283 3.142482 166.9490 2.955021 -1.220688 
4.313623 
1 1 1 1   4   11 o 57.03698 1.823088  681.4258       43.59735 717.6854       
63.68907 649.4528       59.80590 58.46107 2.594892 55.61289 2.561472 2.848179 
3.646176 
1 1 1 1   4   12 o 120.1993 1.638401  2892.428       78.09752 2634.573       
94.15481 3461.038       139.8174 112.0172 2.002068 128.3813 2.594061 -16.36410 
3.276801 
1 1 1 1   4   13 o 433.9614 6.520658  39713.00       1187.861 39710.22       
1693.472 39715.68       1666.627 433.9306 9.295630 433.9922 9.146976 
-0.6164551E-01 13.04132 
1 1 1 1   4   14 o 160.9044 2.053162  5425.387       133.4635 5393.685       
167.1073 5481.229       221.7849 160.2669 2.483548 161.5420 3.270150 -1.275085 
4.106324 
1 1 1 1   4   15 o 358.2018 5.165670  26968.21       772.5618 27485.23       
1159.764 26555.78       1035.843 361.2289 7.647302 355.1747 6.946608 6.054169 
10.33134 
1 1 1 1   4   16 o 351.6634 3.612342  25967.46       527.7249 26242.77       
808.9429 25763.49       696.2933 353.2435 5.454623 350.0833 4.737420 3.160217 
7.224684 
1 1 1 1   4   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   4   18 o 201.1777 2.705838  8446.722       221.4543 8272.222       
279.0948 8743.333       363.8720 198.4204 3.350321 203.9350 4.249892 -5.514633 
5.411675 
1 1 1 1   4   19 o 77.68673 2.123086  1261.075       68.92265 1337.216       
103.6342 1200.689       92.29151 79.77568 3.094239 75.59778 2.907862 4.177902 
4.246172 
1 1 1 1   4   20 f 257.9384 3.305697  13983.37       357.2491 13699.84       
487.7873 14311.40       524.6806 255.1400 4.553790 260.7367 4.793071 -5.596725 
6.611394 
1 1 1 1   4   21 o 176.2144 2.298308  6519.456       168.5920 6456.797       
223.8006 6601.667       256.3506 175.2550 3.041669 177.1739 3.446321 -1.918884 
4.596616 
1 1 1 1   4   22 o 117.7432 2.136998  2905.210       105.1711 2813.175       
141.2988 3019.536       157.4826 115.6674 2.909702 119.8190 3.130603 -4.151581 
4.273996 
1 1 1 1   4   23 o 119.2931 2.259553  2988.924       112.6290 3052.553       
168.4418 2937.471       151.4696 120.4263 3.331575 118.1599 3.053348 2.266380 
4.519107 
1 1 1 1   4   24 o 226.4008 2.576708  10726.41       228.5696 10599.26       
276.5128 11000.74       406.1526 224.4408 2.934504 228.3609 4.236318 -3.920120 
5.153417 
1 1 1 1   4   25 o 140.9958 2.464077  4184.760       145.5927 4219.286       
212.8407 4154.396       199.5954 141.5291 3.582037 140.4625 3.384630 1.066574 
4.928155 
1 1 1 1   4   26 o 158.4496 2.345890  5290.395       155.7566 5221.923       
226.5876 5351.732       214.4588 157.4604 3.427567 159.4388 3.203840 -1.978409 
4.691781 
1 1 1 1   4   27 o 156.7128 2.876327  5160.317       188.3445 5423.690       
283.0419 4951.019       252.3168 160.2538 4.206913 153.1718 3.923635 7.082001 
5.752654 
1 1 1 1   4   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   4   29 o 123.9108 2.322605  3242.018       119.3306 3247.226       
183.8143 3238.224       156.8849 123.9380 3.532612 123.8837 3.016394 
0.5422211E-01  4.645211 
1 1 1 1   4   30 o 137.8793 2.788262  4028.446       160.9733 3956.290       
218.9506 4113.330       237.4775 136.5841 3.818274 139.1744 4.064284 -2.590302 
5.576524 
1 1 1 1   4   31 o 46.06010 3.427153  453.0811       65.85300 386.7378       
90.33260 528.3306       96.20497 42.42968 5.071025 49.69053 4.611529 -7.260845 
6.854305 
1 1 1 1   4   32 o 89.08469 2.467695  1690.113       92.22533 1701.410       
128.2365 1678.010       132.7323 89.41941 3.415867 88.74998 3.562290 0.6694336 
4.935389 
1 1 1 1   4   33 o 72.70088 2.524776  1129.105       76.99512 1197.227       
110.6682 1065.198       107.1902 74.84201 3.522074 70.55976 3.618420 4.282249 
5.049551 
1 1 1 1   4   34 o 26.89067 6.319574  173.8914       83.76012 191.0932       
110.2082 150.3667       128.8810 28.02867 8.570527 25.75267 9.289463 2.276001 
12.63915 
1 1 1 1   4   35 o 85.18326 3.409234  1598.687       120.5844 1591.296       
159.2302 1608.626       184.6419 85.25647 4.448558 85.11004 5.167382 0.1464310 
6.818468 
1 1 1 1   4   36 o 28.54436 6.464489  212.1526       87.24437 191.9282       
117.3791 237.1174       130.4118 27.25386 8.914814 29.83485 9.364002 -2.580992 
12.92898 
1 1 1 1   4   37 o 28.15538 6.461915  214.9394       85.26927 199.1168       
107.3549 241.9817       140.3474 27.24029 8.485301 29.07046 9.748078 -1.830170 
12.92383 
1 1 1 1   4   38 o 20.42375 6.420792  57.46947       113.3056 -62.99070      
200.4171 114.0576       137.3649 19.05545 9.089367 21.79205 9.071365 -2.736603 
12.84158 
1 1 1 1   5   0  o 289.2627 1.947779  17544.18       236.3585 16840.05       
326.6569 18317.90       342.4229 283.1808 2.747571 295.3446 2.761562 -12.16382 
3.895558 
1 1 1 1   5   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   5   2  o 105.6996 1.442053  2345.076       63.97972 2413.305       
91.29029 2279.214       89.69283 107.2102 2.028194 104.1889 2.050488 3.021286 
2.884106 
1 1 1 1   5   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   5   4  o 529.2299 4.322648  58523.48       917.2363 57637.80       
1135.143 60189.63       1556.926 523.6423 5.163412 534.8174 6.933997 -11.17511 
8.645295 
1 1 1 1   5   5  o 591.1254 5.577468  73044.40       1241.056 74803.92       
2364.067 72375.01       1458.139 595.5959 9.454295 586.6549 5.920213 8.941040 
11.15494 
1 1 1 1   5   6  o 389.3438 3.234302  30972.65       465.7974 30040.37       
538.9721 33723.80       925.8690 378.1819 3.394584 400.5057 5.506326 -22.32379 
6.468604 
1 1 1 1   5   7  o 47.68490 1.651061  476.7958       32.91373 539.9371       
47.57046 418.8102       45.58696 50.70980 2.234429 44.66000 2.431325 6.049797 
3.302123 
1 1 1 1   5   8  o 158.9843 2.317270  5242.052       151.0065 5608.928       
244.8745 5016.925       191.8218 163.4084 3.569360 154.5601 2.956117 8.848221 
4.634540 
1 1 1 1   5   9  o 40.45354 1.980718  342.8697       33.34277 409.1282       
48.58991 283.9041       45.83793 44.13964 2.622034 36.76744 2.969496 7.372204 
3.961435 
1 1 1 1   5   10 o 155.8260 2.363045  5069.804       152.3945 5275.328       
238.4189 4927.830       198.1593 158.4736 3.583479 153.1783 3.081330 5.295242 
4.726089 
1 1 1 1   5   11 o 189.9086 2.084681  7573.971       166.1895 7563.441       
233.0260 7584.872       237.0813 189.7750 2.924736 190.0423 2.971448 
-0.2673035     4.169362 
1 1 1 1   5   12 o 154.5822 2.316298  4962.302       148.2712 5350.421       
232.9812 4698.103       192.2224 159.5995 3.477047 149.5649 3.061225 10.03455 
4.632596 
1 1 1 1   5   13 o 353.6999 2.927967  26262.04       429.3587 26137.19       
563.7228 26434.54       662.6003 352.7248 3.806718 354.6750 4.449817 -1.950165 
5.855935 
1 1 1 1   5   14 o 610.0070 5.153321  78341.76       1319.679 77059.13       
1862.105 79636.05       1870.540 604.9800 7.331355 615.0339 7.244178 -10.05389 
10.30664 
1 1 1 1   5   15 o 169.3301 2.631406  6016.180       186.3842 6109.884       
276.6057 5938.252       252.2489 170.5309 3.863484 168.1292 3.573610 2.401688 
5.262813 
1 1 1 1   5   16 o 192.6970 2.356970  7753.893       184.4543 7621.936       
232.0553 7980.340       303.9904 190.4996 2.901473 194.8943 3.715197 -4.394699 
4.713941 
1 1 1 1   5   17 o 257.7015 4.865551  14000.14       525.8829 13508.61       
751.4139 14472.02       736.2397 253.2406 7.067517 262.1624 6.689135 -8.921707 
9.731101 
1 1 1 1   5   18 o 34.00061 3.473647  243.2278       49.56631 249.8036       
69.88686 236.5722       70.30975 34.46427 4.830005 33.53695 4.993591 0.9273148 
6.947294 
1 1 1 1   5   19 o 115.0514 1.860580  2778.572       89.83987 2697.490       
125.1579 2864.756       129.0363 113.3212 2.630682 116.7817 2.631833 -3.460526 
3.721160 
1 1 1 1   5   20 o 67.82589 2.191056  967.4526       62.33882 947.2490       
89.44198 986.5383       86.93238 67.13492 3.173321 68.51686 3.022075 -1.381943 
4.382112 
1 1 1 1   5   21 o 169.0738 1.947511  5973.643       137.6367 5667.601       
184.5349 6357.354       206.6288 164.2261 2.676439 173.9215 2.829819 -9.695404 
3.895023 
1 1 1 1   5   22 o 201.2903 2.415297  8526.468       203.1951 8548.544       
274.8359 8499.853       301.7715 201.5991 3.247177 200.9815 3.576377 0.6176300 
4.830593 
1 1 1 1   5   23 f 191.2755 2.928815  7712.314       235.0521 7748.974       
327.1761 7673.209       337.9116 191.7596 4.063923 190.7913 4.218575 0.9683380 
5.857631 
1 1 1 1   5   24 o 195.6716 2.384629  8068.007       194.6508 8006.912       
291.6222 8117.096       261.4055 194.9682 3.562688 196.3750 3.170659 -1.406784 
4.769258 
1 1 1 1   5   25 o 174.8468 2.817471  6448.927       206.6925 6280.698       
294.8724 6611.428       289.8082 172.5875 4.069544 177.1060 3.897611 -4.518433 
5.634941 
1 1 1 1   5   26 f 61.92696 2.423438  811.0219       62.65090 714.7756       
88.86662 906.1293       88.33923 58.24636 3.634050 65.60755 3.207162 -7.361191 
4.846876 
1 1 1 1   5   27 o 95.03158 2.240151  1902.120       89.36579 1883.095       
126.9507 1920.808       125.8215 94.55759 3.197862 95.50556 3.137960 
-0.9479675     4.480302 
1 1 1 1   5   28 o 102.9413 2.241824  2226.971       96.23409 2292.218       
145.6724 2176.445       128.1889 104.2528 3.328211 101.6298 3.004349 2.622925 
4.483648 
1 1 1 1   5   29 o 81.49898 3.516900  1403.622       120.3348 0.000000       
0.000000 1403.622       120.3348 ?        ?        81.49898 3.516900 ? ? 
1 1 1 1   5   30 o 42.30367 3.690122  386.4940       64.03584 290.2043       
89.60593 486.9983       91.54593 36.77132 5.804283 47.83602 4.558323 -11.06470 
7.380244 
1 1 1 1   5   31 o 41.35375 3.620298  367.3823       62.00153 293.0233       
85.72798 448.9349       89.77905 36.88440 5.536063 45.82311 4.666717 -8.938717 
7.240597 
1 1 1 1   5   32 o 49.20607 3.227688  523.5657       66.12251 482.1318       
97.42341 558.9538       90.03561 47.30285 4.905656 51.10930 4.196000 -3.806458 
6.455376 
1 1 1 1   5   33 o 85.26627 2.498476  1554.354       89.23216 1581.938       
122.7671 1523.459       129.9234 86.12476 3.395276 84.40778 3.666283 1.716988 
4.996953 
1 1 1 1   5   34 o 30.05029 6.173516  224.0156       84.49848 267.1887       
112.9595 169.1643       127.3237 33.23494 8.147482 26.86564 9.277270 6.369299 
12.34703 
1 1 1 1   5   35 o 97.46532 3.259478  2103.927       130.3007 2204.079       
169.9755 1961.195       202.9156 100.8024 4.016396 94.12823 5.134719 6.674179 
6.518955 
1 1 1 1   5   36 o 28.37843 6.344169  210.0605       86.50902 247.5868       
116.1560 163.3194       129.6353 31.01536 8.616972 25.74149 9.313523 5.273870 
12.68834 
1 1 1 1   5   37 o 28.55471 6.623626  224.8250       92.82826 253.5900       
127.0227 191.8534       135.9939 30.43190 9.180436 26.67752 9.550356 3.754381 
13.24725 
1 1 1 1   5   38 o 23.16858 6.314665  115.6181       92.76495 14.42709       
122.3144 252.6311       142.3271 17.75111 7.948054 28.58605 9.814705 -10.83494 
12.62933 
1 1 1 1   6   0  o 393.4526 2.604715  32432.09       426.1410 31910.71       
562.8123 33132.59       652.3647 389.7741 3.439313 397.1312 3.912709 -7.357117 
5.209430 
1 1 1 1   6   1  o 381.6160 2.527791  30590.01       404.9893 30499.69       
571.4234 30681.16       574.0684 381.0502 3.571880 382.1818 3.577789 -1.131531 
5.055581 
1 1 1 1   6   2  o 312.4526 2.858567  20326.43       309.3648 20186.61       
349.1388 20837.33       667.4070 310.0471 2.682202 314.8581 5.048902 -4.810974 
5.717133 
1 1 1 1   6   3  o 592.1252 3.710318  73772.50       920.5793 74932.07       
1268.845 72483.72       1337.671 597.0714 5.061781 587.1790 5.426252 9.892456 
7.420637 
1 1 1 1   6   4  o 163.7617 1.896847  5586.750       129.3917 5976.221       
198.1558 5297.248       170.8422 168.6950 2.797857 158.8284 2.562053 9.866653 
3.793695 
1 1 1 1   6   5  o 131.9673 1.653083  3648.904       91.47249 3503.146       
125.5558 3813.779       133.5359 129.1652 2.315328 134.7695 2.360084 -5.604370 
3.306167 
1 1 1 1   6   6  o 303.5428 2.419386  19268.49       304.0703 18860.55       
396.3813 19851.80       473.9924 299.6698 3.150586 307.4159 3.672537 -7.746094 
4.838772 
1 1 1 1   6   7  o 224.3486 2.519150  10524.15       234.4348 10877.18       
363.2459 10272.14       306.9104 227.5483 3.802317 221.1490 3.305580 6.399292 
5.038301 
1 1 1 1   6   8  o 146.2199 1.727795  4454.888       104.1102 4665.604       
165.4347 4316.716       133.9637 149.0568 2.643600 143.3829 2.225415 5.673950 
3.455589 
1 1 1 1   6   9  o 34.88327 2.125278  255.4730       31.12016 260.6558       
44.48287 250.5047       43.55296 35.22966 3.007498 34.53688 3.003694 0.6927872 
4.250556 
1 1 1 1   6   10 o 94.98415 1.606076  1878.082       63.61378 2030.176       
96.99514 1763.282       84.26831 98.32878 2.349581 91.63951 2.190295 6.689270 
3.212152 
1 1 1 1   6   11 o 178.6541 1.749286  6425.714       108.1916 6226.272       
121.3991 7195.599       238.5178 172.2098 1.679109 185.0984 3.069299 -12.88864 
3.498572 
1 1 1 1   6   12 o 79.83842 1.607234  1336.165       53.80499 1381.414       
78.51355 1296.098       73.88106 81.11042 2.305627 78.56644 2.239841 2.543983 
3.214468 
1 1 1 1   6   13 o 159.7016 1.605342  5354.929       107.6284 5268.557       
151.5337 5442.858       152.8945 158.4020 2.278608 161.0013 2.261953 -2.599243 
3.210683 
1 1 1 1   6   14 o 249.4758 3.121290  13057.09       323.7351 13234.35       
495.0565 12924.66       427.9096 250.9346 4.699106 248.0170 4.109526 2.917664 
6.242579 
1 1 1 1   6   15 o 348.5297 3.628195  24731.22       428.5326 26919.01       
966.1241 24195.36       478.1421 357.6693 6.433870 339.3900 3.355668 18.27930 
7.256389 
1 1 1 1   6   16 o 170.0826 3.724027  5881.527       255.8308 6809.367       
437.0379 5397.854       315.5432 179.9187 5.785805 160.2465 4.690198 19.67220 
7.448054 
1 1 1 1   6   17 o 204.9014 2.667264  8644.541       214.8875 8334.620       
259.3535 9323.189       383.7865 199.1935 3.101258 210.6092 4.340436 -11.41570 
5.334528 
1 1 1 1   6   18 o 278.6881 2.485951  16313.78       290.6335 16179.10       
402.3362 16460.75       420.2870 277.4904 3.453521 279.8857 3.576731 -2.395294 
4.971902 
1 1 1 1   6   19 o 110.2820 1.899310  2558.915       87.79371 2424.187       
125.3105 2688.802       123.0388 107.4237 2.778485 113.1403 2.590276 -5.716545 
3.798619 
1 1 1 1   6   20 o 102.2941 1.921282  2198.960       82.48586 2134.587       
116.6674 2263.300       116.6378 100.7956 2.756950 103.7927 2.676664 -2.997032 
3.842565 
1 1 1 1   6   21 o 101.5641 1.798100  2159.960       76.02541 2223.071       
115.9906 2112.426       100.6634 102.8547 2.686085 100.2734 2.391152 2.581345 
3.596201 
1 1 1 1   6   22 o 260.6626 3.188853  14356.96       344.8701 14038.58       
526.6704 14595.96       456.3031 258.0471 4.861397 263.2782 4.128190 -5.231140 
6.377706 
1 1 1 1   6   23 o 73.84999 2.021103  1147.366       62.55252 1140.363       
91.07412 1153.620       86.06361 73.63232 2.946100 74.06766 2.767655 
-0.4353409     4.042205 
1 1 1 1   6   24 o 92.55385 1.907442  1802.122       74.08985 1744.073       
104.7493 1860.236       104.8085 91.05917 2.739986 94.04852 2.654396 -2.989357 
3.814884 
1 1 1 1   6   25 o 68.92937 2.235259  1000.679       64.64149 979.5412       
92.52208 1020.836       90.35036 68.21368 3.230688 69.64507 3.090015 -1.431389 
4.470519 
1 1 1 1   6   26 o 103.5931 2.101892  2240.096       90.63819 2128.559       
119.4198 2391.657       139.2068 100.5876 2.827827 106.5987 3.110497 -6.011055 
4.203784 
1 1 1 1   6   27 o 168.7359 2.898067  6007.575       204.6725 6010.915       
301.5032 6004.721       278.7369 168.7453 4.255801 168.7266 3.934884 
0.1869202E-01  5.796133 
1 1 1 1   6   28 o 153.3846 2.685461  4967.767       172.8109 4954.329       
248.9380 4980.267       240.0855 153.1671 3.871210 153.6021 3.722973 
-0.4349213     5.370921 
1 1 1 1   6   29 o 120.7986 1.831032  3073.361       91.88347 3076.899       
140.5312 3070.719       121.4359 120.8291 2.770271 120.7680 2.395059 
0.6108856E-01  3.662064 
1 1 1 1   6   30 o 68.33406 2.666468  990.3359       76.33331 1066.242       
108.0641 914.7447       107.8395 70.97376 3.626640 65.69437 3.909946 5.279396 
5.332935 
1 1 1 1   6   31 o 30.35241 6.884620  208.2219       85.73206 208.2219       
85.73206 0.000000       0.000000 30.35241 6.884620 ?        ?        ? ? 
1 1 1 1   6   32 o 180.2581 3.266030  6933.001       243.8577 7209.617       
380.0525 6739.417       317.9352 183.0098 4.946411 177.5065 4.266243 5.503387 
6.532060 
1 1 1 1   6   33 o 61.77988 2.714919  816.7446       70.39355 844.5945       
99.91129 789.2924       99.19559 62.84166 3.786936 60.71811 3.891304 2.123550 
5.429837 
1 1 1 1   6   34 o 66.06361 3.456353  946.9326       95.40131 904.0673       
127.7088 1001.057       143.5040 64.46526 4.718632 67.66197 5.051733 -3.196716 
6.912705 
1 1 1 1   6   35 o 91.56210 3.473642  1837.550       131.7547 1804.464       
172.3144 1884.121       204.4346 90.89738 4.515348 92.22682 5.279809 -1.329437 
6.947284 
1 1 1 1   6   36 o 33.57575 6.105329  277.1022       87.90898 194.2028       
115.1889 392.7318       136.0409 27.64066 8.816924 39.51085 8.447603 -11.87019 
12.21066 
1 1 1 1   6   37 o 24.79671 5.795145  85.55972       89.62659 -99.13646      
119.4563 323.4434       135.5696 14.94952 7.083049 34.64390 9.174161 -19.69438 
11.59029 
1 1 1 1   6   38 o 19.79731 5.982601  64.15261       87.62930 67.75206       
115.4348 59.25741       134.6183 19.60466 8.246683 19.98997 8.669388 
-0.3853054     11.96520 
1 1 1 1   7   0  o 91.20523 1.348729  1731.977       51.19880 1643.281       
67.41301 1852.868       78.70306 88.46978 1.814972 93.94068 1.995533 -5.470901 
2.697457 
1 1 1 1   7   1  o 409.2187 3.199910  35245.97       519.7271 35015.72       
893.6991 35363.63       638.8671 408.1372 5.215624 410.3002 3.708769 -2.163055 
6.399820 
1 1 1 1   7   2  o 356.6097 3.292724  26673.36       482.3158 26972.13       
767.9393 26478.74       619.8149 358.2158 5.106263 355.0037 4.158629 3.212128 
6.585448 
1 1 1 1   7   3  o 412.2496 3.739125  35645.25       631.4422 36094.01       
1013.497 35360.54       807.2689 414.3027 5.826743 410.1965 4.687566 4.106171 
7.478249 
1 1 1 1   7   4  o 201.2368 1.935630  8505.223       163.5070 8577.213       
229.7531 8431.346       232.7434 202.1006 2.707790 200.3730 2.766681 1.727524 
3.871260 
1 1 1 1   7   5  o 213.9791 2.232194  9604.978       195.9966 9670.193       
312.6545 9562.759       251.5626 214.5654 3.470771 213.3928 2.807936 1.172607 
4.464388 
1 1 1 1   7   6  o 331.7686 3.672212  23091.21       510.8036 24000.55       
746.4381 22290.33       700.5173 337.8933 5.261812 325.6440 5.123855 12.24927 
7.344424 
1 1 1 1   7   7  o 393.6679 2.722031  32564.04       447.3394 32628.04       
601.7988 32485.02       668.7517 394.1162 3.637040 393.2196 4.050894 0.8966370 
5.444061 
1 1 1 1   7   8  o 103.0829 1.455549  2188.206       61.59805 2430.051       
100.0609 2040.626       78.16473 107.5793 2.215424 98.58652 1.888489 8.992767 
2.911098 
1 1 1 1   7   9  o 79.97807 1.706796  1321.170       56.68581 1491.258       
88.48308 1202.768       73.82491 84.27177 2.500916 75.68437 2.323367 8.587402 
3.413593 
1 1 1 1   7   10 o 221.3941 2.929281  10288.23       271.8348 10468.16       
397.3035 10129.86       372.7363 223.2076 4.239694 219.5805 4.043235 3.627060 
5.858562 
1 1 1 1   7   11 o 94.84616 1.422646  1871.425       56.26033 1750.055       
74.47147 2032.786       85.86830 91.29745 1.942909 98.39487 2.078651 -7.097420 
2.845291 
1 1 1 1   7   12 o 225.2077 2.846857  10619.15       266.6734 10918.38       
408.2865 10396.53       352.1714 227.9531 4.266194 222.4623 3.770671 5.490845 
5.693714 
1 1 1 1   7   13 o 307.4780 4.149381  19873.90       535.0748 19690.81       
738.3363 20076.43       776.5274 305.9988 5.747189 308.9572 5.986590 -2.958374 
8.298761 
1 1 1 1   7   14 o 273.6419 3.480900  15736.35       399.8073 15586.70       
558.3506 15893.82       572.7502 272.3100 4.883875 274.9738 4.961294 -2.663879 
6.961801 
1 1 1 1   7   15 o 364.8958 3.202939  27880.68       481.4807 28512.03       
761.8630 27460.83       621.2764 368.2825 4.927389 361.5092 4.093422 6.773254 
6.405878 
1 1 1 1   7   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   7   17 o 239.0235 1.975662  11859.02       183.3030 12366.53       
332.8306 11638.06       219.6095 242.6275 3.267414 235.4194 2.221928 7.208160 
3.951324 
1 1 1 1   7   18 o 265.7622 4.197845  14768.54       450.0083 15222.41       
753.9382 14517.35       560.8748 268.8147 6.680420 262.7097 5.085233 6.105011 
8.395690 
1 1 1 1   7   19 f 202.3005 2.990235  8605.321       253.7909 8602.733       
352.3513 8608.110       365.8587 202.2752 4.149103 202.3258 4.307083 
-0.5053711E-01 5.980470 
1 1 1 1   7   20 o 164.3638 2.049117  5486.099       133.9304 5119.554       
162.5049 6262.304       236.4784 156.1128 2.479413 172.6147 3.263133 -16.50186 
4.098235 
1 1 1 1   7   21 o 247.4420 2.390150  12901.71       247.4404 12493.51       
362.0036 13259.67       338.9955 243.7412 3.537570 251.1427 3.215099 -7.401489 
4.780299 
1 1 1 1   7   22 o 222.3081 3.310089  10421.11       308.4236 10308.22       
447.9910 10522.83       425.2505 221.1356 4.825383 223.4806 4.532377 -2.345047 
6.620178 
1 1 1 1   7   23 o 196.9748 3.078228  8164.677       253.7439 8352.447       
375.9660 8007.596       343.8736 199.0226 4.499531 194.9269 4.201924 4.095718 
6.156456 
1 1 1 1   7   24 o 107.3573 1.944256  2425.192       87.59506 2469.059       
122.8503 2379.825       124.9322 108.3490 2.700676 106.3656 2.797657 1.983383 
3.888513 
1 1 1 1   7   25 o 147.0163 2.529120  4543.219       155.0208 4634.254       
234.4406 4472.491       206.6456 148.2943 3.765557 145.7383 3.377332 2.556076 
5.058240 
1 1 1 1   7   26 o 83.92188 2.198268  1479.755       77.38383 1405.113       
107.0150 1561.561       112.0319 81.70674 3.119663 86.13702 3.097939 -4.430275 
4.396536 
1 1 1 1   7   27 o 128.9270 1.936327  3482.806       104.0981 3615.919       
157.8720 3380.411       138.4639 131.0835 2.868654 126.7706 2.601591 4.312859 
3.872654 
1 1 1 1   7   28 o 138.4365 2.234593  4051.266       129.3770 3857.516       
188.5834 4223.539       177.8237 135.2721 3.320599 141.6009 2.991195 -6.328796 
4.469186 
1 1 1 1   7   29 o 39.35518 3.538311  330.8686       58.00256 283.8911       
82.07146 377.7468       81.98461 36.51472 5.353591 42.19564 4.627920 -5.680923 
7.076622 
1 1 1 1   7   30 o 100.1625 2.137410  2113.822       89.79448 2022.675       
123.7579 2215.149       130.4863 97.88880 3.011347 102.4361 3.034119 -4.547348 
4.274821 
1 1 1 1   7   31 o 45.95099 3.477671  450.5511       66.99333 485.8673       
96.98111 418.3169       92.65280 47.68229 4.844524 44.21969 4.990728 3.462601 
6.955342 
1 1 1 1   7   32 o 118.6078 3.908805  2997.794       194.6419 2997.794       
194.6419 0.000000       0.000000 118.6078 3.908805 ?        ?        ? ? 
1 1 1 1   7   33 o 32.41066 4.577470  246.0830       61.65183 117.4791       
86.90108 376.4047       87.47952 23.12704 7.670602 41.69428 4.997479 -18.56724 
9.154941 
1 1 1 1   7   34 o 61.07559 3.597251  814.5214       92.20506 784.2018       
129.1679 846.0236       131.6632 59.89381 5.136811 62.25738 5.037264 -2.363571 
7.194502 
1 1 1 1   7   35 o 55.86004 3.936671  699.1089       91.42196 781.8103       
126.9584 610.0399       131.7553 59.58228 5.075343 52.13780 6.019169 7.444473 
7.873341 
1 1 1 1   7   36 f 44.29876 4.790150  454.2464       89.00771 433.5580       
122.8614 477.0975       129.1238 43.24349 6.767303 45.35402 6.781280 -2.110527 
9.580300 
1 1 1 1   7   37 o 45.93270 5.453629  523.8414       99.17641 185.8600       
131.7848 965.2499       150.6050 26.69009 9.416707 65.17531 5.503987 -38.48522 
10.90726 
1 1 1 1   7   38 o 21.43306 6.114981  97.66016       87.70362 142.5432       
115.7541 37.16730       134.3838 23.45915 8.756362 19.40697 8.538037 4.052179 
12.22996 
1 1 1 1   7   39 o 19.94192 5.915330  69.70681       89.78979 141.8423       
118.0244 -29.40967      138.3472 22.75447 8.748897 17.12937 7.963751 5.625099 
11.83066 
1 1 1 1   8   0  o 399.3535 4.252135  33025.88       462.1555 32866.96       
491.9178 34221.28       1349.139 395.6015 2.961800 403.1056 7.971847 -7.504150 
8.504270 
1 1 1 1   8   1  o 530.7894 2.882886  59578.37       632.0581 56907.99       
974.0905 61520.30       830.6725 520.4053 4.458395 541.1735 3.656069 -20.76813 
5.765772 
1 1 1 1   8   2  o 101.9625 1.457715  2120.817       58.09465 2020.700       
69.57862 2351.273       105.5640 98.10583 1.689282 105.8192 2.376143 -7.713364 
2.915429 
1 1 1 1   8   3  o 297.9305 2.328489  18659.46       286.3747 18553.10       
447.1905 18733.39       372.8580 297.1949 3.584035 298.6660 2.973574 -1.471008 
4.656979 
1 1 1 1   8   4  o 142.6493 1.564430  4256.062       89.94023 4331.485       
150.5606 4214.214       112.1496 143.6233 2.496937 141.6754 1.885491 1.947891 
3.128860 
1 1 1 1   8   5  o 137.0479 1.967187  3916.552       111.8685 3772.460       
146.2286 4119.891       173.7087 134.0334 2.598607 140.0624 2.954072 -6.029053 
3.934374 
1 1 1 1   8   6  f 256.8335 2.366951  13809.77       253.1513 14198.60       
385.6211 13515.30       335.5904 259.9918 3.532825 253.6752 3.151029 6.316574 
4.733903 
1 1 1 1   8   7  o 97.72672 1.748396  1956.357       70.00316 1797.413       
88.32360 2224.884       114.8019 92.52136 2.273819 102.9321 2.656559 -10.41072 
3.496792 
1 1 1 1   8   8  o 133.0980 1.799378  3651.812       97.96621 3436.897       
123.6486 4014.211       160.5641 127.9380 2.302027 138.2580 2.766173 -10.31997 
3.598756 
1 1 1 1   8   9  o 219.4486 2.416571  10115.05       222.6387 10089.69       
313.6089 10140.82       316.1235 219.1716 3.408201 219.7255 3.426867 
-0.5539246     4.833141 
1 1 1 1   8   10 o 299.2903 2.817720  18639.40       345.7554 18022.04       
440.2616 19632.94       558.5133 292.9093 3.580130 305.6714 4.352110 -12.76208 
5.635440 
1 1 1 1   8   11 o 185.7614 2.840983  7244.420       221.4523 7089.108       
307.2448 7412.345       319.4748 183.6921 3.983961 187.8306 4.051270 -4.138489 
5.681966 
1 1 1 1   8   12 o 185.7335 2.281911  7243.177       177.1500 7270.407       
263.4412 7220.702       239.3446 186.0473 3.372729 185.4197 3.074601 0.6275787 
4.563822 
1 1 1 1   8   13 o 363.1589 3.494703  27719.39       532.7415 27846.86       
760.9940 27596.88       746.0486 363.9738 4.980031 362.3439 4.904189 1.629913 
6.989405 
1 1 1 1   8   14 o 346.5915 2.678615  25145.16       384.3132 24703.24       
501.1105 25776.30       598.8622 342.9290 3.480569 350.2539 4.072537 -7.324829 
5.357231 
1 1 1 1   8   15 o 185.9618 2.282233  7251.421       171.2588 7308.545       
285.1868 7219.202       214.1768 186.5179 3.641916 185.4056 2.751508 1.112350 
4.564466 
1 1 1 1   8   16 o 62.20471 2.948405  826.7643       75.68977 681.1005       
110.1975 956.8592       104.1420 56.92330 4.611080 67.48613 3.675636 -10.56283 
5.896810 
1 1 1 1   8   17 o 338.3408 4.163251  23805.15       538.9955 24775.19       
1002.991 23411.27       639.1238 342.9676 6.965704 333.7139 4.561753 9.253723 
8.326502 
1 1 1 1   8   18 o 265.6572 3.051549  14834.04       340.2911 14696.41       
476.1675 14977.70       486.4869 264.4005 4.289618 266.9140 4.341311 -2.513519 
6.103098 
1 1 1 1   8   19 o 214.4469 3.484562  9617.398       304.9744 9921.581       
496.5568 9433.157       386.4509 217.0986 5.447949 211.7953 4.346094 5.303299 
6.969123 
1 1 1 1   8   20 o 193.5690 2.781637  7871.443       225.1142 7794.590       
304.0791 7964.646       334.8615 192.5392 3.761737 194.5987 4.098702 -2.059418 
5.563275 
1 1 1 1   8   21 o 167.1833 1.894541  5873.972       132.9609 5804.313       
188.7123 5942.640       187.3650 166.1973 2.704565 168.1693 2.653767 -1.972000 
3.789083 
1 1 1 1   8   22 o 116.3051 2.010380  2829.591       97.79311 2692.039       
131.5676 2999.405       146.1852 113.1665 2.769185 119.4436 2.915155 -6.277008 
4.020760 
1 1 1 1   8   23 o 164.4005 2.793331  5693.306       192.7860 5676.102       
273.9850 5710.178       271.3158 164.1508 3.975619 164.6501 3.924950 
-0.4992523     5.586661 
1 1 1 1   8   24 o 154.2038 2.521047  4974.532       161.6835 4776.502       
212.7197 5245.454       248.8080 150.6221 3.363876 157.7855 3.755936 -7.163422 
5.042095 
1 1 1 1   8   25 f 129.0385 1.859336  3504.202       100.3060 3527.103       
136.0093 3476.892       148.5236 129.5126 2.501368 128.5643 2.751669 0.9483185 
3.718673 
1 1 1 1   8   26 o 108.5370 2.102242  2434.535       94.70707 2774.363       
148.1958 2199.935       123.1320 114.8160 3.074359 102.2580 2.868102 12.55794 
4.204485 
1 1 1 1   8   27 o 84.66696 2.228555  1509.010       79.21089 1491.020       
111.2185 1527.530       112.8413 84.15520 3.147873 85.17873 3.155427 -1.023521 
4.457109 
1 1 1 1   8   28 o 85.17136 2.030139  1529.787       72.38507 1561.448       
99.29063 1493.873       105.7503 86.12451 2.746013 84.21821 2.990865 1.906303 
4.060278 
1 1 1 1   8   29 o 93.26276 2.283256  1834.023       89.37474 1881.780       
128.2638 1788.951       124.6056 94.44135 3.234915 92.08417 3.223098 2.357178 
4.566513 
1 1 1 1   8   30 o 86.05354 2.286211  1563.946       82.56888 1572.718       
118.4668 1555.660       115.1441 86.28199 3.270376 85.82509 3.195572 0.4569016 
4.572421 
1 1 1 1   8   31 o 142.1343 2.097908  4233.914       123.5888 4063.544       
160.9620 4478.612       192.9046 138.7401 2.763392 145.5285 3.157299 -6.788422 
4.195816 
1 1 1 1   8   32 o 51.74421 3.174716  581.7761       67.82311 500.9761       
100.5569 649.2103       91.86419 48.28871 4.960064 55.19971 3.963971 -6.911003 
6.349433 
1 1 1 1   8   33 o 41.93361 6.768579  389.6894       119.1622 0.000000       
0.000000 389.6894       119.1622 ?        ?        41.93361 6.768579 ? ? 
1 1 1 1   8   34 o 18.05817 5.539909  -5.696157      80.14002 43.00505       
108.7478 -63.57899      118.5566 19.68381 8.124809 16.43253 7.533250 3.251278 
11.07982 
1 1 1 1   8   35 o 58.22082 3.899902  759.4905       93.73883 899.6910       
131.5694 614.9567       133.5871 64.06927 4.891320 52.37238 6.075519 11.69689 
7.799804 
1 1 1 1   8   36 o 23.77048 6.182549  124.6900       82.65266 83.45995       
117.6392 164.8841       116.1520 21.56647 8.616995 25.97449 8.868093 -4.408020 
12.36510 
1 1 1 1   8   37 o 24.37408 6.000137  128.6626       83.70718 23.35711       
117.4353 237.4254       119.3475 18.65869 8.094699 30.08947 8.859030 -11.43078 
12.00027 
1 1 1 1   8   38 o 16.74693 5.444419  -35.09279      86.40219 -53.67378      
113.8137 -9.818035      132.7406 15.53208 7.221934 17.96179 8.149262 -2.429718 
10.88884 
1 1 1 1   8   39 o 38.31641 6.019779  402.6669       93.53714 353.1280       
122.1550 472.8839       145.4319 35.66375 8.305571 40.96907 8.715987 -5.305317 
12.03956 
1 1 1 1   9   0  o 279.3219 2.651855  16302.46       302.5199 16021.96       
383.9287 16761.82       491.3205 276.1919 3.311012 282.4519 4.143253 -6.260010 
5.303710 
1 1 1 1   9   1  o 358.0291 3.120225  27016.30       453.0721 26618.49       
741.2109 27253.61       572.4725 355.8713 4.961007 360.1868 3.785715 -4.315491 
6.240451 
1 1 1 1   9   2  o 43.40434 1.441774  393.5211       26.20271 433.1274       
38.60486 359.6886       35.68016 45.41902 2.024535 41.38967 2.053317 4.029350 
2.883549 
1 1 1 1   9   3  o 112.6939 1.339502  2566.637       58.40154 2422.570       
69.23515 2921.993       108.7367 107.4206 1.535183 117.9673 2.195513 -10.54668 
2.679004 
1 1 1 1   9   4  o 375.1823 4.227110  29697.52       657.7369 28969.09       
1005.415 30242.49       869.6467 371.0909 6.453368 379.2737 5.461490 -8.182892 
8.454220 
1 1 1 1   9   5  o 25.59958 2.396783  142.5835       23.99637 95.31293       
33.55433 192.0675       34.33098 20.95642 3.958200 30.24274 2.703872 -9.286325 
4.793566 
1 1 1 1   9   6  o 267.4863 2.777206  14930.65       296.3722 14713.70       
364.7307 15352.32       508.4857 264.6771 3.282291 270.2955 4.480856 -5.618408 
5.554413 
1 1 1 1   9   7  o 263.1307 3.144126  14483.63       345.5960 13937.45       
462.5630 15173.73       519.9474 257.5508 4.277884 268.7105 4.608886 -11.15964 
6.288252 
1 1 1 1   9   8  o 105.7697 1.889213  2340.571       83.70658 2222.638       
113.8392 2479.391       123.5091 102.8803 2.635608 108.6590 2.707412 -5.778770 
3.778427 
1 1 1 1   9   9  o 70.01735 1.580500  1015.899       46.12561 872.9509       
61.57527 1198.678       69.62727 64.47809 2.274653 75.55662 2.194967 -11.07853 
3.161001 
1 1 1 1   9   10 o 198.9558 2.282948  8310.176       190.6500 8520.687       
272.8777 8109.426       266.4760 201.4163 3.226968 196.4953 3.230182 4.921005 
4.565895 
1 1 1 1   9   11 o 136.9371 1.788192  3917.098       101.8721 4085.078       
156.2703 3792.956       134.3414 139.4742 2.668724 134.4000 2.380848 5.074188 
3.576385 
1 1 1 1   9   12 o 237.2916 2.386948  11768.62       232.9664 12114.01       
370.9882 11543.74       299.3487 240.1383 3.679762 234.4449 3.041289 5.693466 
4.773896 
1 1 1 1   9   13 o 418.0654 3.683046  36628.23       636.8053 36087.71       
828.9886 37406.34       994.6286 414.3655 4.765254 421.7653 5.617087 -7.399811 
7.366092 
1 1 1 1   9   14 o 144.3546 1.944316  4359.987       114.0911 4440.569       
187.1483 4312.326       143.9297 145.4046 3.065694 143.3047 2.392274 2.099960 
3.888632 
1 1 1 1   9   15 o 417.3530 8.673157  36872.05       1518.727 36277.89       
2103.868 37518.56       2194.614 413.8925 12.10743 420.8135 12.42194 -6.920959 
17.34631 
1 1 1 1   9   16 o 144.2039 2.257122  4320.101       134.4295 4626.192       
212.9583 4117.334       173.3275 148.3968 3.418150 140.0111 2.948670 8.385727 
4.514244 
1 1 1 1   9   17 o 192.4194 2.570938  7791.034       200.4530 7735.419       
329.3023 7823.773       252.6555 191.8492 4.088422 192.9896 3.118285 -1.140350 
5.141877 
1 1 1 1   9   18 o 359.5185 3.763264  26672.75       447.8589 28051.72       
1033.047 26353.59       496.9926 364.8791 6.743604 354.1580 3.342519 10.72107 
7.526528 
1 1 1 1   9   19 o 85.64706 2.005887  1546.353       71.85243 1408.651       
102.5111 1679.341       100.7414 81.88248 2.981954 89.41165 2.683705 -7.529167 
4.011774 
1 1 1 1   9   20 o 81.36544 2.229556  1372.389       75.02461 1497.672       
118.6519 1288.932       96.84138 84.41121 3.348078 78.31967 2.945175 6.091537 
4.459112 
1 1 1 1   9   21 o 147.2192 1.960664  4550.118       120.4150 4594.970       
181.1857 4514.634       161.1541 147.8595 2.918741 146.5789 2.618732 1.280640 
3.921327 
1 1 1 1   9   22 o 187.5945 2.911739  7394.396       228.5753 7228.030       
309.4666 7594.110       339.0660 185.2966 3.978025 189.8924 4.253024 -4.595825 
5.823478 
1 1 1 1   9   23 o 226.7620 2.580082  10825.34       244.6227 10818.56       
331.2504 10833.46       362.7950 226.7141 3.480158 226.8099 3.809959 
-0.9584045E-01 5.160164 
1 1 1 1   9   24 o 217.8075 2.164027  9971.666       197.5573 9798.725       
270.6920 10168.76       288.9802 215.8016 2.987733 219.8134 3.131373 -4.011871 
4.328053 
1 1 1 1   9   25 f 56.40489 2.594557  671.8407       61.23604 609.1971       
86.64595 734.3539       86.55579 53.76220 3.838772 59.04758 3.491524 -5.285385 
5.189115 
1 1 1 1   9   26 o 36.94432 3.611857  291.8026       55.23861 239.3056       
78.89453 342.2854       77.36626 33.62217 5.589106 40.26647 4.576454 -6.644306 
7.223713 
1 1 1 1   9   27 o 169.2083 2.081695  6033.944       147.4758 5901.122       
215.3712 6151.205       202.3608 167.4348 3.063817 170.9819 2.819015 -3.547073 
4.163390 
1 1 1 1   9   28 o 153.3297 2.692367  4945.820       172.9236 4741.847       
235.1378 5186.072       255.1934 149.9128 3.735982 156.7467 3.877860 -6.833939 
5.384734 
1 1 1 1   9   29 o 114.9716 2.382348  2757.932       114.0332 2558.704       
149.9853 3030.864       175.5499 110.1294 3.243891 119.8138 3.489914 -9.684349 
4.764697 
1 1 1 1   9   30 o 127.1143 2.124028  3404.786       113.2689 3271.683       
156.6298 3550.706       163.9970 124.5156 2.996206 129.7131 3.011433 -5.197540 
4.248056 
1 1 1 1   9   31 o 28.67079 4.559257  185.4300       56.81336 95.46008       
80.93746 272.8182       79.76777 21.65578 7.402726 35.68581 5.324183 -14.03004 
9.118513 
1 1 1 1   9   32 o 68.03120 2.486359  982.8270       71.00432 998.4323       
100.1615 967.0625       100.6709 68.58234 3.478642 67.48006 3.553446 1.102272 
4.972719 
1 1 1 1   9   33 o 32.79006 5.504663  230.7470       82.74883 409.6970       
125.9465 94.82731       109.7644 42.95459 6.983892 22.62553 8.510612 20.32906 
11.00933 
1 1 1 1   9   34 o 58.53947 4.659900  773.5471       109.0310 734.8295       
181.2482 795.5031       136.4883 56.79739 7.600922 60.28156 5.393020 -3.484169 
9.319800 
1 1 1 1   9   35 o 26.57612 6.207445  166.6910       81.35273 133.8132       
113.3927 201.5639       116.7824 24.46213 8.724365 28.69011 8.832605 -4.227983 
12.41489 
1 1 1 1   9   36 o 30.64592 6.328463  239.3217       86.62193 252.8534       
120.4377 224.8209       124.6760 31.59102 8.773520 29.70082 9.122672 1.890202 
12.65693 
1 1 1 1   9   37 o 32.36488 5.474175  254.5590       86.54807 449.3521       
124.9633 74.98222       119.9834 43.74226 6.804598 20.98750 8.576937 22.75476 
10.94835 
1 1 1 1   9   38 o 18.34291 5.671006  23.57666       83.12803 35.23313       
115.0008 10.82126       120.2997 18.64854 8.049149 18.03728 7.990772 0.6112652 
11.34201 
1 1 1 1   9   39 o 30.07225 6.432317  262.5400       90.95725 184.8830       
122.8962 356.6029       135.2563 25.18682 9.072613 34.95769 9.120664 -9.770870 
12.86463 
1 1 1 1   10  0  o 124.0811 1.570301  3229.778       79.97334 3246.818       
127.4347 3218.706       102.7188 124.3476 2.441021 123.8147 1.976055 0.5328903 
3.140601 
1 1 1 1   10  1  o 143.7244 1.775236  4344.259       106.9414 4183.734       
153.8602 4494.289       148.7455 141.1503 2.596365 146.2986 2.421724 -5.148270 
3.550473 
1 1 1 1   10  2  o 221.3311 2.653023  10275.89       246.1637 10032.66       
337.5371 10552.24       359.7828 218.5404 3.678840 224.1217 3.823645 -5.581284 
5.306046 
1 1 1 1   10  3  o 162.6694 1.480022  5440.051       96.66494 5179.580       
118.9907 5945.561       165.7672 157.0675 1.804462 168.2714 2.346439 -11.20389 
2.960044 
1 1 1 1   10  4  o 280.9226 2.412290  16551.27       281.6303 16404.13       
371.9286 16749.01       431.1781 279.4729 3.169867 282.3723 3.637103 -2.899414 
4.824580 
1 1 1 1   10  5  o 239.6814 2.317123  12049.14       230.5198 11956.25       
303.4123 12175.97       354.5333 238.5999 3.028893 240.7629 3.507426 -2.162964 
4.634245 
1 1 1 1   10  6  o 396.0982 4.062329  32988.73       657.1129 32981.41       
837.2473 33000.47       1060.396 396.1192 5.034413 396.0772 6.376893 
0.4205322E-01  8.124659 
1 1 1 1   10  7  o 323.9690 3.889621  22067.23       529.0222 21857.73       
748.3349 22276.52       747.9661 322.4294 5.528183 325.5086 5.473189 -3.079224 
7.779242 
1 1 1 1   10  8  o 152.0832 1.827867  4863.588       114.9817 4817.726       
178.2037 4896.300       150.5012 151.4635 2.802398 152.7029 2.347544 -1.239426 
3.655735 
1 1 1 1   10  9  o 324.3087 4.017382  22111.73       546.8586 21435.11       
768.2392 22806.76       778.6147 319.2753 5.731288 329.3420 5.631143 -10.06671 
8.034764 
1 1 1 1   10  10 o 389.0245 2.500390  31603.19       391.0775 32433.40       
659.5412 31153.02       485.6680 392.9058 3.998292 385.1431 3.003575 7.762726 
5.000780 
1 1 1 1   10  11 o 184.2165 2.697269  7130.188       208.5793 7051.847       
296.3640 7207.078       293.6066 183.2122 3.852938 185.2207 3.775699 -2.008453 
5.394538 
1 1 1 1   10  12 o 116.4556 1.408476  2841.139       68.59669 2778.946       
92.56871 2916.888       102.1596 115.0461 1.916519 117.8650 2.064502 -2.818855 
2.816951 
1 1 1 1   10  13 o 186.4458 1.936631  7270.064       150.9069 7003.265       
202.4857 7603.393       226.3284 182.6168 2.641038 190.2749 2.833210 -7.658035 
3.873262 
1 1 1 1   10  14 o 424.7964 5.994496  37787.55       1042.502 39157.29       
1684.741 36937.65       1327.089 430.8094 9.314705 418.7834 7.547994 12.02603 
11.98899 
1 1 1 1   10  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   10  16 o 335.9510 5.167119  23812.75       727.2831 23079.71       
1053.015 24481.37       1005.684 330.9549 7.578564 340.9470 7.025796 -9.992096 
10.33424 
1 1 1 1   10  17 o 102.7248 2.203167  2218.384       94.91219 2098.978       
134.2647 2337.653       134.1875 99.95764 3.199389 105.4919 3.029801 -5.534225 
4.406334 
1 1 1 1   10  18 o 248.8028 3.994250  13042.09       416.3320 12821.09       
606.0759 13239.56       572.8894 246.7809 5.849741 250.8248 5.440283 -4.043884 
7.988501 
1 1 1 1   10  19 o 111.4820 2.312696  2607.445       107.7878 2656.529       
160.6194 2567.229       145.3865 112.4301 3.402801 110.5340 3.132920 1.896118 
4.625391 
1 1 1 1   10  20 f 219.6344 2.884490  9949.586       242.1882 10622.20       
454.1219 9682.243       286.3018 224.6344 4.815233 214.6343 3.177210 10.00005 
5.768981 
1 1 1 1   10  21 o 223.7355 2.992760  10526.04       279.4609 10625.79       
419.4648 10446.43       374.7409 224.6568 4.447306 222.8141 4.005986 1.842636 
5.985521 
1 1 1 1   10  22 o 99.64352 1.978647  2073.655       81.35491 2159.064       
128.5727 2016.626       105.0618 101.3316 3.022211 97.95543 2.554686 3.376183 
3.957295 
1 1 1 1   10  23 o 146.6885 2.356856  4523.301       145.0407 4651.351       
210.0770 4406.665       200.4954 148.6666 3.365783 144.7105 3.300087 3.956039 
4.713711 
1 1 1 1   10  24 o 47.80509 2.782098  481.4015       55.81610 463.4154       
77.98155 500.2957       79.92615 46.88871 3.961363 48.72148 3.907414 -1.832775 
5.564197 
1 1 1 1   10  25 o 153.5691 2.623837  4921.877       167.4080 4661.779       
219.0942 5286.770       259.5040 148.7713 3.507783 158.3669 3.903018 -9.595673 
5.247675 
1 1 1 1   10  26 o 215.5541 2.166069  9770.589       195.6260 9662.023       
267.5861 9895.234       286.7177 214.2845 2.974363 216.8238 3.149696 -2.539261 
4.332138 
1 1 1 1   10  27 o 93.29634 2.129983  1832.762       83.37179 1752.345       
117.8037 1913.458       118.0076 91.23992 3.075353 95.35276 2.947798 -4.112839 
4.259966 
1 1 1 1   10  28 o 206.2269 2.700085  8996.409       229.7904 8857.086       
358.1650 9093.879       299.5733 204.7628 4.166326 207.6910 3.435632 -2.928207 
5.400170 
1 1 1 1   10  29 o 157.5378 2.230526  5233.592       147.5171 5189.870       
207.1738 5278.558       210.0983 156.8725 3.145641 158.2031 3.163215 -1.330582 
4.461052 
1 1 1 1   10  30 o 115.2387 2.288792  2783.710       110.2718 2579.510       
147.9215 3039.143       165.4407 110.5277 3.187729 119.9497 3.285218 -9.422028 
4.577584 
1 1 1 1   10  31 o 60.32119 2.681362  772.1446       67.82975 814.9887       
96.03171 729.4891       95.82017 62.00856 3.688791 58.63382 3.892510 3.374737 
5.362725 
1 1 1 1   10  32 o 56.64681 2.758096  680.0164       65.09345 804.6976       
95.30254 570.9868       89.12021 61.53436 3.688993 51.75927 4.101183 9.775089 
5.516192 
1 1 1 1   10  33 o 49.74915 4.239278  538.8936       88.25464 569.5782       
131.3727 513.6559       119.1433 50.98643 6.137220 48.51188 5.849823 2.474548 
8.478556 
1 1 1 1   10  34 o 28.89954 6.123059  187.9112       83.37450 284.6969       
125.6682 111.8143       111.4303 34.36002 8.698849 23.43905 8.619596 10.92097 
12.24612 
1 1 1 1   10  35 o 33.15955 5.928447  265.9884       85.01595 179.4581       
117.0378 362.6504       123.7001 27.32760 8.901843 38.99150 7.832186 -11.66390 
11.85689 
1 1 1 1   10  36 o 48.51415 6.561876  538.9515       133.6520 538.9515       
133.6520 0.000000       0.000000 48.51415 6.561876 ?        ?        ? ? 
1 1 1 1   10  37 o 56.61892 3.988391  726.4223       94.77780 737.1823       
136.0486 716.2762       132.1102 56.99224 5.685905 56.24560 5.594599 0.7466431 
7.976782 
1 1 1 1   10  38 o 17.91297 5.552032  -5.092161      83.85018 -85.17390      
117.1863 78.92187       120.0289 15.03840 7.084126 20.78754 8.550755 -5.749145 
11.10406 
1 1 1 1   10  39 o 51.77106 4.948418  663.8907       98.65207 427.5824       
132.1195 961.6644       148.3101 39.70304 8.205304 63.83909 5.533566 -24.13605 
9.896836 
1 1 1 1   11  0  o 182.4474 2.061390  6989.685       157.2575 6979.632       
212.9438 7001.744       233.2294 182.3068 2.782166 182.5880 3.042511 
-0.2812347     4.122780 
1 1 1 1   11  1  o 86.11388 1.424525  1556.495       51.20022 1561.624       
76.73053 1552.377       68.74238 86.24076 2.119223 85.98700 1.904201 0.2537613 
2.849051 
1 1 1 1   11  2  o 286.9802 2.517173  17417.36       259.5163 17528.55       
298.4279 17072.45       525.6167 288.9214 2.460259 285.0391 4.392238 3.882355 
5.034345 
1 1 1 1   11  3  o 333.1021 3.040672  22978.85       369.8673 22643.53       
426.5395 23995.19       742.5962 328.3516 3.094148 337.8526 5.235359 -9.501007 
6.081343 
1 1 1 1   11  4  o 259.2010 2.075905  13806.63       190.1382 14673.05       
402.3371 13557.48       215.7510 264.2939 3.625969 254.1083 2.022345 10.18559 
4.151811 
1 1 1 1   11  5  o 180.5600 1.824313  6756.848       130.2288 6588.205       
158.3740 7108.959       228.8434 177.1364 2.129596 183.9836 2.962649 -6.847275 
3.648626 
1 1 1 1   11  6  o 291.4596 3.743014  17852.33       457.8271 17660.49       
637.0389 18057.26       658.4211 289.8454 5.235047 293.0738 5.351158 -3.228424 
7.486028 
1 1 1 1   11  7  o 264.1349 2.796789  14431.76       274.3903 14181.30       
319.1532 15141.50       537.2573 259.8581 2.925391 268.4118 4.767621 -8.553680 
5.593579 
1 1 1 1   11  8  o 230.2845 2.177202  11080.87       205.6768 10877.82       
262.9894 11400.66       330.0399 227.5935 2.752323 232.9756 3.374249 -5.382034 
4.354404 
1 1 1 1   11  9  o 322.1790 2.925622  21568.56       360.9740 21231.37       
428.3439 22394.80       670.5168 317.9405 3.208986 326.4176 4.892797 -8.477051 
5.851243 
1 1 1 1   11  10 o 221.6253 2.946957  10267.10       271.3861 9966.615       
356.6884 10680.18       418.2065 217.8072 3.900657 225.4435 4.418493 -7.636246 
5.893913 
1 1 1 1   11  11 o 578.8512 6.137280  70644.52       1491.010 69707.77       
2126.937 71549.66       2090.742 575.0412 8.810015 582.6611 8.546838 -7.619934 
12.27456 
1 1 1 1   11  12 o 195.7155 2.007783  7955.806       157.8145 8344.655       
268.1370 7749.718       195.2053 199.3221 3.204220 192.1090 2.420277 7.213150 
4.015566 
1 1 1 1   11  13 o 219.7240 2.293971  10081.43       210.2779 10645.95       
319.0085 9647.699       279.6241 225.1260 3.375185 214.3221 3.107627 10.80396 
4.587943 
1 1 1 1   11  14 o 61.85681 2.108617  797.0309       54.15966 846.6171       
84.01010 761.7656       70.84766 63.48766 3.151833 60.22596 2.801966 3.261707 
4.217235 
1 1 1 1   11  15 o 383.5414 3.784525  30950.01       606.9393 30774.81       
898.3229 31097.14       823.2638 382.5103 5.593846 384.5726 5.098961 -2.062347 
7.569050 
1 1 1 1   11  16 o 174.6548 2.831039  6303.461       197.8586 6759.075       
340.4791 6071.151       243.1235 179.3139 4.522697 169.9957 3.406513 9.318237 
5.662078 
1 1 1 1   11  17 o 277.5420 4.091464  16099.88       465.8263 16727.19       
749.0521 15704.27       594.8442 281.8498 6.330170 273.2342 5.185484 8.615601 
8.182927 
1 1 1 1   11  18 o 123.5250 2.051830  3123.513       104.6715 2776.654       
134.0702 3664.958       167.5068 114.9709 2.777572 132.0792 3.020781 -17.10828 
4.103660 
1 1 1 1   11  19 o 306.0348 3.628373  19613.31       457.1773 20222.62       
726.0223 19212.95       588.5110 309.8763 5.580622 302.1932 4.638643 7.683136 
7.256745 
1 1 1 1   11  20 o 119.9715 2.026463  2978.886       99.94201 3242.334       
161.1687 2814.288       127.3931 124.2061 3.090713 115.7368 2.621775 8.469276 
4.052927 
1 1 1 1   11  21 o 227.0509 2.765275  10750.97       231.9518 11050.20       
455.6460 10646.30       269.4825 229.0395 4.738472 225.0623 2.851995 3.977142 
5.530551 
1 1 1 1   11  22 o 140.0071 2.137303  4137.394       125.1312 3776.017       
178.9793 4482.927       175.0120 133.9912 3.181615 146.0230 2.854746 -12.03180 
4.274605 
1 1 1 1   11  23 o 117.9031 2.236277  2925.042       110.6828 2906.134       
157.4125 2943.530       155.6604 117.5238 3.190321 118.2823 3.134580 
-0.7584991     4.472554 
1 1 1 1   11  24 o 251.9764 3.664009  13425.47       387.4801 13320.23       
553.9290 13526.30       542.2180 250.9833 5.256908 252.9695 5.105365 -1.986237 
7.328018 
1 1 1 1   11  25 o 254.3410 3.039259  13612.76       321.5739 13393.42       
425.3575 13905.35       491.2813 252.0361 4.019873 256.6459 4.559497 -4.609772 
6.078519 
1 1 1 1   11  26 o 108.7973 1.908937  2500.001       86.45218 2403.698       
129.6384 2577.130       116.0163 106.8871 2.888880 110.7076 2.496104 -3.820549 
3.817874 
1 1 1 1   11  27 o 121.2570 2.325637  3096.330       118.3872 3055.165       
167.2029 3137.714       167.6474 120.4467 3.306512 122.0672 3.271289 -1.620514 
4.651274 
1 1 1 1   11  28 o 108.7638 2.341579  2470.593       106.4311 2209.019       
143.0828 2794.590       159.2433 102.3753 3.328998 115.1523 3.293894 -12.77708 
4.683157 
1 1 1 1   11  29 o 94.69463 1.911878  1865.882       75.38264 1720.225       
99.15945 2065.325       116.0322 90.37999 2.613262 99.00927 2.791411 -8.629280 
3.823756 
1 1 1 1   11  30 o 107.5650 1.944772  2445.493       87.55856 2341.997       
127.1831 2538.740       120.7224 105.3745 2.874847 109.7555 2.619887 -4.380989 
3.889544 
1 1 1 1   11  31 o 108.9565 2.335286  2510.459       106.4989 2522.429       
157.0161 2500.260       144.9330 109.1651 3.425953 108.7479 3.174443 0.4171982 
4.670572 
1 1 1 1   11  32 o 89.33569 2.775167  1675.236       102.6558 1566.576       
132.8687 1836.156       161.6931 85.86342 3.685833 92.80798 4.149802 -6.944557 
5.550335 
1 1 1 1   11  33 o 96.34478 3.246914  1991.157       127.4161 2014.315       
207.2614 1977.088       161.5492 96.52023 5.114711 96.16933 4.001191 0.3509064 
6.493827 
1 1 1 1   11  34 o 47.17066 4.677516  514.0462       87.36549 416.4413       
131.0987 592.0221       117.1770 42.29026 7.665810 52.05107 5.362088 -9.760811 
9.355032 
1 1 1 1   11  35 o 101.2202 2.973436  2175.216       119.6922 2347.456       
208.4837 2090.534       146.1837 103.7060 4.788388 98.73448 3.526559 4.971504 
5.946871 
1 1 1 1   11  36 o 70.54784 3.560000  1097.911       105.2254 1005.188       
145.8769 1198.489       151.9299 67.36005 5.158283 73.73563 4.907802 -6.375572 
7.120000 
1 1 1 1   11  37 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   11  38 o 24.92506 6.267947  151.2307       86.18140 81.05253       
119.1478 228.2334       124.8068 20.90245 8.545404 28.94766 9.171952 -8.045214 
12.53589 
1 1 1 1   11  39 f 23.84325 6.385365  156.5708       87.86947 158.9315       
122.2711 154.0494       126.3623 23.97555 8.989485 23.71095 9.070872 0.2646027 
12.77073 
1 1 1 1   12  0  o 124.9238 1.630791  3271.580       84.04034 3305.398       
132.0512 3248.559       108.9536 125.4623 2.506977 124.3854 2.086379 1.076866 
3.261581 
1 1 1 1   12  1  o 417.3921 3.702675  36629.32       538.2339 36632.73       
609.8004 36617.29       1145.056 417.6080 3.478083 417.1762 6.537747 0.4317932 
7.405350 
1 1 1 1   12  2  o 405.5629 4.132842  33261.50       499.3217 32727.51       
538.8309 36507.45       1328.475 394.7384 3.251354 416.3873 7.599358 -21.64883 
8.265684 
1 1 1 1   12  3  o 425.2647 4.429008  38072.69       789.7109 37391.36       
1140.671 38699.87       1094.405 421.5819 6.444652 428.9475 6.077081 -7.365601 
8.858017 
1 1 1 1   12  4  o 259.4764 3.057435  14100.89       328.3362 13878.20       
428.0625 14419.15       511.7356 257.0164 3.967048 261.9365 4.653403 -4.920105 
6.114870 
1 1 1 1   12  5  o 185.6524 2.279047  7221.872       176.3018 7102.678       
234.4505 7376.985       267.4534 183.8995 3.036629 187.4053 3.399282 -3.505890 
4.558095 
1 1 1 1   12  6  o 49.29312 1.729747  510.2609       35.79439 515.3748       
50.49519 505.0958       50.74759 49.54150 2.427739 49.04473 2.464587 0.4967651 
3.459495 
1 1 1 1   12  7  o 115.6969 1.568200  2788.847       75.47330 2660.086       
99.25453 2965.359       116.2106 112.5570 2.100386 118.8369 2.329246 -6.279961 
3.136400 
1 1 1 1   12  8  o 375.2109 2.791787  29364.96       408.1127 29014.23       
491.2213 30146.54       733.2866 371.6770 3.147985 378.7449 4.611562 -7.067902 
5.583575 
1 1 1 1   12  9  o 323.6826 3.093648  22021.66       419.0597 22088.17       
570.7247 21943.86       617.2903 324.2267 4.192750 323.1385 4.550108 1.088196 
6.187296 
1 1 1 1   12  10 o 223.3015 3.104859  10480.35       289.9164 10455.26       
429.3699 10501.38       393.0418 223.0451 4.585217 223.5578 4.187646 
-0.5126953     6.209718 
1 1 1 1   12  11 o 162.8679 1.517062  5570.956       103.7091 5460.430       
147.1498 5680.043       146.1885 161.2618 2.173448 164.4739 2.117080 -3.212021 
3.034123 
1 1 1 1   12  12 o 200.7622 2.254829  8462.114       190.0118 8257.347       
265.6004 8676.784       271.9465 198.2755 3.190662 203.2490 3.186956 -4.973526 
4.509658 
1 1 1 1   12  13 o 526.8007 6.810226  58290.31       1454.030 59675.25       
2404.600 57492.02       1825.608 531.3438 10.77924 522.2577 8.326140 9.086060 
13.62045 
1 1 1 1   12  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   12  15 o 230.7194 3.272696  11180.18       307.4646 11230.65       
500.4357 11149.58       389.6892 231.0977 5.157910 230.3411 4.029656 0.7566223 
6.545393 
1 1 1 1   12  16 o 390.7106 5.148666  32223.77       834.6464 31796.49       
1277.700 32541.81       1102.353 388.3289 7.837007 393.0924 6.679548 -4.763519 
10.29733 
1 1 1 1   12  17 o 384.0832 4.947041  31086.58       791.8272 31129.20       
1194.860 31053.21       1057.334 384.2251 7.407173 383.9413 6.559469 0.2838440 
9.894081 
1 1 1 1   12  18 o 153.1655 1.866471  4815.140       110.6681 5217.277       
203.6903 4646.715       131.8218 157.5808 3.078846 148.7501 2.110818 8.830734 
3.732941 
1 1 1 1   12  19 o 90.03214 2.077625  1706.573       78.06257 1670.500       
116.2830 1736.166       105.3232 89.15926 3.106496 90.90501 2.759670 -1.745743 
4.155249 
1 1 1 1   12  20 o 112.5487 1.971750  2662.219       93.03230 2475.668       
130.5432 2854.741       132.6164 108.5384 2.864783 116.5590 2.710021 -8.020538 
3.943501 
1 1 1 1   12  21 o 282.3656 3.001652  16721.28       329.5715 16957.13       
592.3636 16615.54       396.6265 283.6483 4.974269 281.0829 3.360998 2.565369 
6.003304 
1 1 1 1   12  22 o 42.45374 2.849383  386.9219       49.78109 313.5905       
72.67274 451.7509       68.32995 38.57392 4.487442 46.33357 3.512662 -7.759647 
5.698766 
1 1 1 1   12  23 o 14.32814 4.411119  -20.25800      50.35829 11.76802       
75.13771 -46.37503      67.85289 16.09624 6.705286 12.56004 5.733327 3.536201 
8.822239 
1 1 1 1   12  24 o 124.4449 2.451741  3262.920       127.6732 3242.334       
188.0280 3280.531       173.9115 124.0637 3.609930 124.8261 3.318516 
-0.7624054     4.903483 
1 1 1 1   12  25 o 275.3959 2.712645  15965.59       311.7357 15815.96       
417.5509 16154.02       468.5684 273.9973 3.629813 276.7944 4.032150 -2.797119 
5.425290 
1 1 1 1   12  26 o 81.82294 2.178240  1410.412       74.75269 1463.189       
104.8584 1355.871       106.5956 83.38670 2.995211 80.25918 3.163483 3.127525 
4.356480 
1 1 1 1   12  27 o 81.98761 2.304916  1414.006       79.28471 1487.754       
114.0794 1345.102       110.2687 84.05534 3.232682 79.91988 3.286385 4.135460 
4.609833 
1 1 1 1   12  28 o 62.10053 2.618714  812.6694       68.12145 891.4985       
98.14980 739.4026       94.62350 65.01158 3.596001 59.18948 3.807813 5.822102 
5.237429 
1 1 1 1   12  29 f 102.3655 2.125577  2196.625       90.94271 2085.027       
121.8765 2336.825       136.6048 99.46112 2.918689 105.2699 3.090884 -5.808792 
4.251153 
1 1 1 1   12  30 o 40.83430 3.622132  355.7461       61.67791 410.1777       
88.51875 304.3827       85.98778 43.91092 4.801576 37.75767 5.424412 6.153255 
7.244265 
1 1 1 1   12  31 o 21.43117 5.180039  92.34942       56.56223 70.88892       
80.54906 113.2254       79.44453 19.92748 7.328481 22.93486 7.322882 -3.007385 
10.36008 
1 1 1 1   12  32 o 72.37347 3.172816  1124.660       94.89436 1088.256       
146.4046 1151.034       124.6151 71.23611 4.895257 73.51083 4.037759 -2.274712 
6.345631 
1 1 1 1   12  33 o 37.63642 5.440975  328.4419       82.14249 317.6291       
126.8445 336.2515       107.7994 36.79990 8.392923 38.47295 6.926446 -1.673046 
10.88195 
1 1 1 1   12  34 o 32.13248 5.348628  209.7680       77.81631 412.1926       
126.2656 85.79906       98.81203 42.84186 7.020010 21.42311 8.071602 21.41875 
10.69726 
1 1 1 1   12  35 o 33.03396 5.071823  204.4479       73.03596 477.1136       
128.9877 75.77457       88.60887 45.93741 6.688099 20.13050 7.626460 25.80691 
10.14365 
1 1 1 1   12  36 o 70.92537 3.253793  1110.438       91.67301 1073.809       
155.4804 1129.958       113.5006 69.51697 5.327285 72.33377 3.737475 -2.816803 
6.507586 
1 1 1 1   12  37 o 18.19083 5.567861  22.36143       74.40195 11.06636       
131.3525 27.69735       90.28156 19.14378 8.431623 17.23788 7.274065 1.905899 
11.13572 
1 1 1 1   12  38 o 25.26055 9.193645  164.0585       126.4826 0.000000       
0.000000 164.0585       126.4826 ?        ?        25.26055 9.193645 ? ? 
1 1 1 1   12  39 o 21.96108 6.168961  113.7690       86.29269 70.95866       
119.7727 159.9758       124.4332 19.82674 8.372988 24.09542 9.061865 -4.268686 
12.33792 
1 1 1 1   13  0  o 251.9947 2.450931  13345.80       258.6284 13244.53       
378.8945 13434.15       353.8956 251.0927 3.594226 252.8968 3.333135 -1.804123 
4.901862 
1 1 1 1   13  1  o 237.1554 2.394315  11753.10       236.4748 11360.97       
312.8533 12275.73       361.1803 232.5725 3.204080 241.7382 3.558770 -9.165665 
4.788630 
1 1 1 1   13  2  o 198.2151 2.006915  8180.021       161.3809 7983.330       
202.3839 8523.462       267.4301 194.9819 2.472309 201.4483 3.162043 -6.466446 
4.013829 
1 1 1 1   13  3  o 327.5518 3.367877  22506.92       412.7910 22455.03       
483.9820 22645.43       790.6890 326.9523 3.525867 328.1512 5.739219 -1.198883 
6.735753 
1 1 1 1   13  4  o 436.6854 3.318655  39738.44       592.9950 38617.28       
753.1893 41566.62       961.7878 428.7053 4.184720 444.6655 5.151895 -15.96021 
6.637311 
1 1 1 1   13  5  f 310.0628 3.787308  20223.75       492.6704 19393.60       
697.7908 21048.93       695.6962 303.7039 5.472628 316.4216 5.236903 -12.71765 
7.574616 
1 1 1 1   13  6  o 20.22536 3.184551  89.09550       28.16723 138.0424       
39.96377 40.77697       39.70642 25.63412 3.713377 14.81659 5.174582 10.81753 
6.369103 
1 1 1 1   13  7  o 331.1271 3.866863  22950.04       535.0300 22051.38       
716.9777 24079.32       803.7239 323.8642 5.273072 338.3899 5.657318 -14.52567 
7.733727 
1 1 1 1   13  8  o 381.6976 3.261724  30413.05       511.8526 29637.98       
656.2365 31617.09       817.9147 375.5714 4.161874 387.8239 5.023363 -12.25247 
6.523448 
1 1 1 1   13  9  o 215.9133 1.977344  9772.627       173.1984 9858.829       
284.8628 9722.070       218.1526 216.6553 3.131752 215.1712 2.414889 1.484085 
3.954688 
1 1 1 1   13  10 o 459.3179 3.855145  44011.16       698.6988 43352.28       
850.0761 45383.13       1226.657 454.1892 4.458021 464.4466 6.290837 -10.25742 
7.710291 
1 1 1 1   13  11 o 362.9088 4.469621  27728.38       680.5221 27089.68       
973.4399 28338.92       951.7345 358.7997 6.462167 367.0178 6.176604 -8.218109 
8.939241 
1 1 1 1   13  12 f 241.7150 2.488084  12257.67       251.3822 12441.34       
374.7133 12107.36       338.9823 243.3517 3.667633 240.0784 3.363140 3.273224 
4.976167 
1 1 1 1   13  13 o 451.3849 4.807072  42680.48       771.5722 43294.99       
1599.163 42494.02       880.8865 453.1500 8.405660 449.6199 4.666546 3.530151 
9.614144 
1 1 1 1   13  14 o 115.6738 3.009782  2660.151       129.8019 3144.856       
259.3286 2498.125       149.9354 122.2964 5.050775 109.0511 3.274878 13.24523 
6.019564 
1 1 1 1   13  15 f 123.3474 2.156035  3155.240       108.3397 3360.432       
178.4786 3035.519       136.3298 126.4737 3.361297 120.2210 2.701042 6.252701 
4.312070 
1 1 1 1   13  16 o 99.58313 1.884177  2049.916       77.10134 2238.717       
124.5620 1932.650       98.16737 103.2369 2.873899 95.92933 2.437456 7.307594 
3.768354 
1 1 1 1   13  17 o 389.4037 4.959480  31939.39       804.2357 32200.72       
1219.536 31738.29       1069.833 390.7079 7.434700 388.0996 6.565896 2.608337 
9.918960 
1 1 1 1   13  18 o 50.90431 2.711798  543.8102       57.78503 556.6969       
85.46762 532.9593       78.42640 51.45640 3.956246 50.35222 3.709921 1.104176 
5.423596 
1 1 1 1   13  19 o 182.1198 3.054930  6842.913       225.5184 7485.999       
378.2176 6488.141       280.9195 188.5853 4.776997 175.6543 3.809292 12.93105 
6.109861 
1 1 1 1   13  20 o 128.3159 2.151675  3466.256       115.7150 3259.849       
164.6069 3667.911       162.7013 124.5276 3.148499 132.1043 2.933562 -7.576706 
4.303351 
1 1 1 1   13  21 o 205.3855 2.262063  8888.190       193.5174 8726.442       
291.1682 9016.171       258.9978 203.6842 3.404925 207.0867 2.978961 -3.402466 
4.524127 
1 1 1 1   13  22 o 220.1420 2.529603  10207.45       229.1006 10164.30       
361.6527 10236.38       296.0885 219.6940 3.920979 220.5899 3.197106 
-0.8958740     5.059206 
1 1 1 1   13  23 o 271.7005 4.038054  15624.64       451.6504 15601.25       
711.9009 15640.39       584.2966 271.3163 6.249780 272.0847 5.115054 
-0.7684631     8.076108 
1 1 1 1   13  24 o 72.19717 2.316770  1098.192       69.83509 1089.561       
104.1735 1105.236       94.11429 71.92792 3.449696 72.46643 3.093426 
-0.5385132     4.633539 
1 1 1 1   13  25 o 164.1091 2.018349  5633.415       136.0414 5820.144       
217.7273 5513.827       174.2411 166.2922 3.118617 161.9260 2.563039 4.366211 
4.036699 
1 1 1 1   13  26 f 75.87346 2.226925  1211.954       70.88971 1268.919       
100.6394 1155.855       99.87141 77.64738 3.087182 74.09953 3.210309 3.547844 
4.453849 
1 1 1 1   13  27 o 75.97781 2.133439  1218.152       67.53570 1189.449       
101.3225 1241.100       90.59509 75.15646 3.211151 76.79916 2.809760 -1.642700 
4.266877 
1 1 1 1   13  28 o 119.9890 2.366916  3035.483       119.2248 3066.909       
168.1538 3003.714       169.0685 120.6176 3.320605 119.3603 3.373834 1.257286 
4.733832 
1 1 1 1   13  29 o 145.5448 2.046141  4457.969       124.8830 4330.963       
171.6674 4600.736       182.0083 143.3547 2.852313 147.7350 2.934465 -4.380310 
4.092282 
1 1 1 1   13  30 o 100.6776 2.074885  2136.015       87.64887 2047.293       
121.6772 2231.705       126.3640 98.50572 2.942177 102.8494 2.926462 -4.343651 
4.149770 
1 1 1 1   13  31 o 131.5462 2.543878  3661.543       139.4666 3706.219       
210.8831 3626.813       185.9354 132.1881 3.799885 130.9042 3.383214 1.283905 
5.087756 
1 1 1 1   13  32 o 79.73007 2.979246  1326.859       96.05919 1463.381       
162.1509 1253.042       119.2335 82.67632 4.671533 76.78383 3.698703 5.892487 
5.958492 
1 1 1 1   13  33 o 88.65378 2.505954  1627.192       85.75515 1792.676       
158.9973 1559.304       101.8371 91.51435 4.138298 85.79320 2.827314 5.721153 
5.011907 
1 1 1 1   13  34 o 39.91409 4.781520  350.1308       74.19713 395.6602       
129.2860 327.7707       90.60299 41.15928 7.765670 38.66890 5.580869 2.490376 
9.563040 
1 1 1 1   13  35 o 32.53370 5.777394  247.6216       75.50951 286.5370       
130.9823 228.2511       92.41083 34.00338 9.023594 31.06402 7.217192 2.939362 
11.55479 
1 1 1 1   13  36 o 45.98757 4.100060  483.5061       76.13146 435.1866       
121.5947 514.6610       97.63748 43.59631 6.643332 48.37883 4.807091 -4.782516 
8.200121 
1 1 1 1   13  37 o 34.40567 5.803794  284.5204       78.57434 344.2250       
139.1068 256.5460       95.21922 36.33567 9.124098 32.47567 7.175442 3.860001 
11.60759 
1 1 1 1   13  38 o 45.51883 4.543050  460.5222       83.07224 585.4155       
145.1331 399.6656       101.3096 49.39662 6.998262 41.64104 5.794957 7.755581 
9.086100 
1 1 1 1   13  39 o 17.04753 5.593187  -54.55410      100.4659 -214.7484      
169.0933 32.85014       124.9019 15.47081 7.597765 18.62424 8.210294 -3.153434 
11.18637 
1 1 1 1   14  0  o 641.3545 4.693657  85717.83       1118.683 84746.09       
1303.541 88433.74       2179.246 634.9190 4.890208 647.7900 8.012961 -12.87103 
9.387315 
1 1 1 1   14  1  o 261.1393 2.419262  14095.71       207.1744 13960.71       
229.3521 14694.22       482.9207 257.8525 2.118617 264.4262 4.350031 -6.573761 
4.838523 
1 1 1 1   14  2  o 580.5986 5.258239  70924.49       1277.659 70187.20       
1734.873 71798.33       1888.674 577.3733 7.157016 583.8240 7.705416 -6.450745 
10.51648 
1 1 1 1   14  3  o 78.27010 1.586668  1285.931       52.11898 1301.524       
74.92142 1271.309       72.55048 78.72948 2.266677 77.81072 2.220864 0.9187622 
3.173336 
1 1 1 1   14  4  o 135.7517 1.659879  3856.468       93.35338 3790.520       
121.9868 3949.677       145.0253 134.3591 2.162554 137.1443 2.518761 -2.785202 
3.319759 
1 1 1 1   14  5  o 71.55630 1.631881  1072.612       48.94435 1118.372       
71.76432 1032.815       66.92439 72.97952 2.342225 70.13309 2.272911 2.846428 
3.263762 
1 1 1 1   14  6  o 92.38513 1.980006  1607.308       68.64239 2219.055       
139.3711 1411.392       78.87174 102.7852 3.229707 81.98502 2.291437 20.80023 
3.960011 
1 1 1 1   14  7  o 437.0054 2.792046  39870.11       494.7851 39164.84       
621.0234 41095.87       818.7178 431.7956 3.425712 442.2151 4.409828 -10.41953 
5.584092 
1 1 1 1   14  8  o 139.1987 1.459064  3987.611       82.58707 3763.406       
103.2744 4385.330       137.5492 133.8825 1.837341 144.5148 2.267079 -10.63231 
2.918127 
1 1 1 1   14  9  o 432.8790 4.006816  38791.40       637.2900 38151.41       
737.0161 40687.95       1268.726 426.1043 4.119857 439.6537 6.873505 -13.54941 
8.013632 
1 1 1 1   14  10 o 198.3492 2.852810  8269.660       237.4356 8161.865       
340.1254 8372.124       331.6059 197.0843 4.110627 199.6140 3.956873 -2.529755 
5.705620 
1 1 1 1   14  11 o 203.5501 2.392202  8637.713       192.7975 8508.973       
235.3563 8900.331       336.1496 201.2849 2.785068 205.8154 3.890235 -4.530487 
4.784405 
1 1 1 1   14  12 o 37.86126 2.964813  301.5103       46.92815 298.2694       
69.44012 304.2348       63.66782 37.67180 4.390512 38.05072 3.985458 
-0.3789177     5.929626 
1 1 1 1   14  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   14  14 o 475.9298 7.101366  47702.87       1389.384 48777.39       
2211.944 47002.67       1785.589 480.0138 10.97593 471.8459 9.013683 8.167877 
14.20273 
1 1 1 1   14  15 o 313.0729 3.420837  20348.34       420.6883 21354.38       
748.0989 19883.07       508.7511 318.5653 5.593474 307.5805 3.939740 10.98477 
6.841674 
1 1 1 1   14  16 o 208.4433 2.230191  9132.510       194.5972 9072.872       
285.8716 9184.007       265.6443 207.8018 3.276745 209.0847 3.026212 -1.282867 
4.460383 
1 1 1 1   14  17 o 230.2779 2.720392  11122.33       259.7064 11303.96       
401.7618 10991.96       340.3831 231.8645 4.127200 228.6914 3.545187 3.173050 
5.440784 
1 1 1 1   14  18 o 170.2133 2.699827  6025.166       186.7367 6351.872       
308.9525 5837.114       234.3974 173.7774 4.234670 166.6493 3.350198 7.128113 
5.399653 
1 1 1 1   14  19 o 240.7924 2.451661  12189.85       247.6205 12204.55       
358.0069 12176.36       342.8604 240.9236 3.539429 240.6612 3.393378 0.2623749 
4.903323 
1 1 1 1   14  20 o 117.3799 2.240841  2851.153       106.9436 3075.896       
177.5165 2723.116       133.9874 120.9336 3.496332 113.8262 2.803773 7.107475 
4.481683 
1 1 1 1   14  21 o 191.4580 3.297780  7584.181       253.7741 8210.061       
433.2134 7257.202       313.1237 197.2611 5.230963 185.6549 4.017267 11.60619 
6.595560 
1 1 1 1   14  22 o 178.5759 2.889538  6716.194       215.0335 6742.139       
324.7027 6695.926       286.9849 178.8434 4.324482 178.3085 3.833611 0.5348816 
5.779076 
1 1 1 1   14  23 o 141.6073 2.331614  4221.404       136.0805 4219.794       
213.8391 4222.499       176.4105 141.5470 3.598385 141.6676 2.966027 
-0.1206055     4.663228 
1 1 1 1   14  24 o 147.8124 2.307144  4560.973       139.7183 4774.308       
225.8336 4428.679       177.8391 150.5460 3.573061 145.0788 2.919741 5.467239 
4.614288 
1 1 1 1   14  25 o 157.6867 2.208763  5230.288       143.6639 5249.736       
225.4159 5216.985       186.4330 157.8952 3.400453 157.4783 2.819832 0.4169006 
4.417525 
1 1 1 1   14  26 o 82.40867 2.293818  1421.448       78.77036 1495.210       
120.1119 1365.784       104.3417 84.26218 3.395269 80.55515 3.085215 3.707031 
4.587636 
1 1 1 1   14  27 o 96.11894 2.215380  1940.753       89.20403 1767.939       
123.1829 2131.303       129.3501 91.62398 3.202301 100.6139 3.062173 -8.989937 
4.430760 
1 1 1 1   14  28 o 55.72134 2.750465  655.8458       64.26379 698.4734       
91.44104 614.2436       90.33453 57.51956 3.786576 53.92311 3.990248 3.596443 
5.500930 
1 1 1 1   14  29 o 75.23518 2.447813  1194.478       77.27214 1138.429       
107.8385 1253.625       110.7795 73.41775 3.498596 77.05261 3.424468 -3.634865 
4.895626 
1 1 1 1   14  30 o 49.99020 3.141272  536.7435       64.19164 391.9761       
89.48746 690.1927       92.13166 42.89384 4.969221 57.08655 3.844113 -14.19271 
6.282544 
1 1 1 1   14  31 o 27.91380 4.883195  159.8777       59.01711 274.9948       
94.50250 86.27705       75.56392 35.09667 6.654821 20.73094 7.148128 14.36573 
9.766390 
1 1 1 1   14  32 o 97.99393 3.007542  2023.280       113.4614 2116.278       
208.7951 1984.310       135.1588 99.25782 5.010448 96.73003 3.328160 2.527786 
6.015084 
1 1 1 1   14  33 o 63.80781 3.355820  842.4918       84.62828 980.7620       
151.6365 779.9410       101.9896 67.22911 5.372390 60.38651 4.022878 6.842598 
6.711640 
1 1 1 1   14  34 f 82.69763 2.547711  1434.717       82.04659 1536.906       
148.7279 1390.015       98.36871 84.50681 4.192006 80.88846 2.896620 3.618347 
5.095421 
1 1 1 1   14  35 f 32.83995 5.705338  255.1423       74.79068 277.3031       
130.1564 244.2179       91.38430 33.42698 9.051954 32.25293 6.947346 1.174042 
11.41068 
1 1 1 1   14  36 o 20.42070 5.854388  60.09036       74.00575 91.37521       
129.8772 45.04875       90.05608 22.56593 9.038377 18.27546 7.443331 4.290472 
11.70878 
1 1 1 1   14  37 o 46.00874 3.875893  450.0656       72.50719 595.5266       
122.6758 371.9686       89.88824 51.27175 5.699042 40.74572 5.254628 10.52603 
7.751787 
1 1 1 1   14  38 o 19.54371 5.672439  62.18372       75.82641 -12.73705      
134.6587 96.96987       91.75641 18.23679 8.244351 20.85064 7.793391 -2.613852 
11.34488 
1 1 1 1   14  39 o 28.80832 5.838758  242.6264       77.86009 161.9113       
132.6128 285.0867       96.18326 24.24119 9.287051 33.37545 7.079198 -9.134258 
11.67752 
1 1 1 1   15  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   15  1  o 60.16890 1.724516  760.5889       43.51833 768.1768       
60.36366 752.3767       62.79686 60.48209 2.377223 59.85571 2.498926 0.6263847 
3.449032 
1 1 1 1   15  2  o 180.3953 1.865357  6831.620       141.0757 6786.560       
194.1146 6882.065       205.3844 179.7670 2.571990 181.0236 2.702423 -1.256577 
3.730714 
1 1 1 1   15  3  o 66.57726 1.576568  926.5751       43.92436 828.7672       
60.10865 1038.653       64.34429 62.82349 2.278956 70.33103 2.179135 -7.507542 
3.153136 
1 1 1 1   15  4  o 403.7390 4.144116  34212.88       701.4959 32859.11       
961.9584 35750.46       1025.188 395.2371 5.797219 412.2409 5.923431 -17.00378 
8.288232 
1 1 1 1   15  5  o 354.5526 3.140455  25645.51       372.7042 25157.22       
414.3624 27714.20       852.8813 346.0986 2.851685 363.0067 5.596223 -16.90808 
6.280910 
1 1 1 1   15  6  o 306.1185 2.794298  19820.90       352.1090 18992.60       
549.1528 20399.17       458.8424 300.6208 4.351062 311.6163 3.507231 -10.99554 
5.588596 
1 1 1 1   15  7  o 471.6794 3.837410  46979.10       722.2382 46161.45       
1224.755 47415.02       894.2770 468.3863 6.228252 474.9724 4.484611 -6.586090 
7.674820 
1 1 1 1   15  8  o 139.2549 1.528085  4070.828       89.32671 4146.871       
127.5164 3997.558       125.1704 140.5315 2.161292 137.9783 2.160786 2.553177 
3.056171 
1 1 1 1   15  9  o 315.5535 4.003808  20950.81       525.9396 20997.16       
700.1956 20890.79       796.6956 315.9952 5.277884 315.1117 6.022114 0.8835754 
8.007616 
1 1 1 1   15  10 o 143.8556 1.793477  4300.532       107.1787 4054.213       
140.1324 4647.722       166.3693 138.9471 2.402204 148.7641 2.663766 -9.816971 
3.586953 
1 1 1 1   15  11 o 181.9861 2.508653  6957.649       191.6653 6994.211       
272.3910 6921.796       269.7399 182.4593 3.555887 181.5129 3.539637 0.9463348 
5.017306 
1 1 1 1   15  12 o 308.2271 3.292336  19532.84       338.9155 20703.19       
774.2428 19255.42       376.9487 313.6778 5.879149 302.7765 2.965386 10.90131 
6.584672 
1 1 1 1   15  13 o 287.7939 8.584407  17478.70       1037.220 17478.70       
1037.220 0.000000       0.000000 287.7939 8.584407 ?        ?        ? ? 
1 1 1 1   15  14 o 22.97396 4.604142  106.2868       48.87352 169.4444       
73.24719 55.60370       65.61596 27.81587 6.401047 18.13206 6.619597 9.683813 
9.208283 
1 1 1 1   15  15 o 261.0015 4.007763  14342.02       436.3275 14312.49       
654.9448 14365.58       585.0707 260.7192 5.983465 261.2838 5.333557 
-0.5646362     8.015527 
1 1 1 1   15  16 o 236.6854 3.384048  11558.61       317.9803 12473.86       
557.1063 11116.36       387.2572 243.4248 5.451228 229.9460 4.011389 13.47885 
6.768096 
1 1 1 1   15  17 o 182.8855 2.732184  7037.684       209.6195 6840.677       
299.5244 7226.797       293.4622 180.3681 3.955429 185.4028 3.770134 -5.034790 
5.464369 
1 1 1 1   15  18 o 98.68177 2.278198  2035.814       93.09141 2111.844       
145.2801 1982.851       121.2552 100.2271 3.452568 97.13646 2.973302 3.090622 
4.556397 
1 1 1 1   15  19 o 255.9674 3.308399  13701.88       343.8555 14169.83       
567.4980 13430.42       432.2347 259.2985 5.212972 252.6362 4.075163 6.662277 
6.616799 
1 1 1 1   15  20 o 224.0079 2.830317  10574.71       251.5006 10525.73       
433.0847 10599.63       308.9294 223.5145 4.615176 224.5014 3.277641 
-0.9868469     5.660634 
1 1 1 1   15  21 o 68.65617 1.939607  985.3326       55.67581 1051.334       
83.47747 932.4484       74.72289 70.71259 2.811859 66.59974 2.672405 4.112854 
3.879214 
1 1 1 1   15  22 o 73.35062 2.213284  1141.309       67.59808 1010.643       
97.91326 1260.308       93.43980 69.29305 3.365680 77.40820 2.875186 -8.115143 
4.426568 
1 1 1 1   15  23 o 193.9172 3.135096  7910.747       251.4631 8075.817       
392.5052 7795.825       327.5013 195.5454 4.781002 192.2890 4.056763 3.256348 
6.270192 
1 1 1 1   15  24 o 150.2871 2.432281  4755.398       153.4321 4615.126       
215.2571 4900.270       218.7567 148.0314 3.463576 152.5428 3.415787 -4.511353 
4.864561 
1 1 1 1   15  25 o 210.2729 2.129553  9327.348       186.1817 9130.646       
282.0625 9479.220       247.8451 208.2657 3.225885 212.2801 2.780943 -4.014481 
4.259105 
1 1 1 1   15  26 f 61.24522 2.623342  789.5170       67.19264 801.1263       
99.82813 779.9009       90.85406 61.64670 3.857129 60.84375 3.556719 0.8029518 
5.246684 
1 1 1 1   15  27 o 14.34147 4.535076  -44.49537      58.36770 -103.4924      
88.48706 0.9450076      77.65788 12.94396 6.115498 15.73898 6.698382 -2.795013 
9.070151 
1 1 1 1   15  28 o 107.7954 2.197289  2420.774       98.86372 2161.566       
131.7763 2754.528       149.5292 101.2717 3.099346 114.3190 3.115505 -13.04729 
4.394578 
1 1 1 1   15  29 o 151.1986 1.976673  4803.605       124.8451 4678.179       
167.3984 4960.806       187.4061 149.0071 2.675872 153.3902 2.910095 -4.383087 
3.953346 
1 1 1 1   15  30 o 149.9565 2.547101  4762.191       160.2318 4610.031       
228.5233 4909.338       224.7282 147.5693 3.688551 152.3437 3.513616 -4.774414 
5.094203 
1 1 1 1   15  31 o 81.16930 2.881271  1344.939       90.42822 1543.756       
168.6300 1264.688       107.1351 85.03889 4.723221 77.29971 3.301224 7.739189 
5.762543 
1 1 1 1   15  32 o 82.31339 2.714525  1367.030       87.01093 1645.368       
161.5746 1253.341       103.2631 87.73142 4.386711 76.89534 3.198647 10.83608 
5.429049 
1 1 1 1   15  33 o 111.8569 3.088097  2558.295       124.3432 2941.803       
259.8658 2444.418       141.6059 116.4342 5.316060 107.2796 3.144022 9.154602 
6.176194 
1 1 1 1   15  34 o 54.91006 3.721296  612.0865       80.61015 799.3988       
147.4778 532.2821       96.26250 60.23273 5.831969 49.58738 4.623885 10.64535 
7.442592 
1 1 1 1   15  35 o 19.13342 5.504038  34.17640       64.12105 99.96879       
120.0499 7.914912       75.84621 22.84825 8.815600 15.41858 6.592642 7.429667 
11.00808 
1 1 1 1   15  36 o 56.28938 3.845887  669.4190       86.22394 826.1029       
153.2456 596.8394       104.2997 60.47772 6.035505 52.10104 4.768237 8.376682 
7.691775 
1 1 1 1   15  37 o 53.47536 4.050627  635.8467       85.66682 688.2649       
150.3464 610.6464       104.2447 54.43901 6.578151 52.51171 4.728450 1.927296 
8.101254 
1 1 1 1   15  38 o 63.58744 3.657720  934.6456       91.82751 847.8331       
153.8980 982.6403       114.4296 60.36916 6.072099 66.80572 4.079864 -6.436554 
7.315441 
1 1 1 1   15  39 o 43.72208 4.913057  461.8062       83.12858 532.6812       
145.7936 427.6649       101.1888 44.85234 8.033061 42.59180 5.658839 2.260540 
9.826115 
1 1 1 1   16  0  o 581.4957 5.664610  71343.89       1365.813 71306.28       
2102.708 71371.34       1796.368 581.1336 8.618350 581.8579 7.353590 
-0.7243042     11.32922 
1 1 1 1   16  1  o 230.9828 2.450263  10818.08       172.5640 10647.15       
187.1658 11787.09       445.6411 225.1797 1.979786 236.7859 4.482811 -11.60626 
4.900525 
1 1 1 1   16  2  o 89.85104 2.575543  1695.504       97.15628 1695.504       
97.15628 0.000000       0.000000 89.85104 2.575543 ?        ?        ? ? 
1 1 1 1   16  3  o 408.2834 6.995552  35233.14       1196.798 35323.63       
1643.466 35130.98       1746.262 408.9284 9.572700 407.6385 10.20365 1.289978 
13.99110 
1 1 1 1   16  4  o 125.3282 1.633839  3302.365       85.85140 3199.810       
123.4334 3398.467       119.4872 123.4397 2.381764 127.2167 2.237166 -3.776970 
3.267677 
1 1 1 1   16  5  o 349.6127 3.046377  25706.40       446.6012 25312.03       
644.8998 26069.82       619.0707 347.0226 4.426450 352.2028 4.186668 -5.180267 
6.092754 
1 1 1 1   16  6  o 112.9351 1.869054  2681.233       88.50600 2830.422       
124.9371 2530.944       125.3970 116.0933 2.563334 109.7769 2.720803 6.316422 
3.738108 
1 1 1 1   16  7  o 281.2210 2.443309  16633.74       288.1277 16050.99       
412.7510 17187.62       402.3944 276.4048 3.556835 286.0373 3.350814 -9.632538 
4.886617 
1 1 1 1   16  8  o 167.8671 2.258984  5919.997       158.9604 5907.742       
231.1839 5930.987       218.9247 167.6991 3.283583 168.0351 3.103243 
-0.3360443     4.517968 
1 1 1 1   16  9  o 93.55569 1.614795  1834.985       63.36892 1910.310       
92.02612 1767.062       87.38803 95.37836 2.298171 91.73302 2.269067 3.645348 
3.229590 
1 1 1 1   16  10 o 354.9797 3.805682  26570.58       553.5637 26200.58       
881.8337 26811.20       711.1359 352.8556 5.952657 357.1038 4.743285 -4.248230 
7.611365 
1 1 1 1   16  11 o 55.56023 2.445194  635.3795       55.73729 708.9512       
90.78309 590.8685       70.61285 58.08536 3.722711 53.03511 3.171329 5.050255 
4.890389 
1 1 1 1   16  12 o 308.7173 3.851269  20029.05       499.1646 0.000000       
0.000000 20029.05       499.1646 ?        ?        308.7173 3.851269 ? ? 
1 1 1 1   16  13 o 385.6290 4.735906  31417.10       650.2393 31166.15       
1337.527 31494.76       744.0872 384.2453 8.291154 387.0128 4.579516 -2.767487 
9.471811 
1 1 1 1   16  14 o 284.0576 3.718799  16759.03       407.3751 17534.64       
748.7820 16432.94       485.5180 288.5342 6.181290 279.5809 4.136366 8.953369 
7.437598 
1 1 1 1   16  15 o 177.7578 1.964506  6641.616       146.3394 6573.145       
212.9304 6702.908       201.4562 176.8847 2.867269 178.6308 2.686243 -1.746063 
3.929011 
1 1 1 1   16  16 o 215.3780 3.121711  9691.631       268.1814 9969.618       
460.3174 9548.792       329.9645 217.6320 5.037973 213.1240 3.687704 4.507996 
6.243423 
1 1 1 1   16  17 o 210.3978 2.823034  9158.247       229.9320 9702.465       
421.0092 8926.922       274.4831 214.7040 4.670599 206.0916 3.172316 8.612381 
5.646067 
1 1 1 1   16  18 o 168.4821 2.308905  5981.247       159.4861 5904.084       
253.7617 6031.625       205.0425 167.5541 3.607382 169.4100 2.882874 -1.855988 
4.617810 
1 1 1 1   16  19 o 27.16253 4.160725  163.2429       49.23981 68.11590       
69.64121 258.3393       69.62999 19.30829 6.842058 35.01677 4.736324 -15.70848 
8.321449 
1 1 1 1   16  20 o 199.7117 2.053596  8380.398       172.1094 8206.039       
239.0909 8567.918       247.9497 197.5596 2.882611 201.8639 2.925674 -4.304276 
4.107191 
1 1 1 1   16  21 o 248.6165 3.928004  13069.87       405.3192 13026.67       
621.2518 13101.89       534.8244 248.1291 5.963634 249.1039 5.113895 
-0.9747467     7.856008 
1 1 1 1   16  22 f 134.1111 2.231876  3740.990       123.6841 4026.149       
195.7587 3551.520       159.5685 138.2914 3.371684 129.9307 2.925205 8.360687 
4.463752 
1 1 1 1   16  23 o 173.0491 2.005393  6304.209       144.8353 6261.040       
216.5415 6339.157       194.8306 172.4914 2.990161 173.6068 2.673077 -1.115311 
4.010786 
1 1 1 1   16  24 o 262.0889 2.275826  14377.06       230.3841 14670.91       
419.7554 14250.38       275.6059 263.8530 3.789268 260.3247 2.521704 3.528290 
4.551653 
1 1 1 1   16  25 o 151.8743 1.961131  4864.755       124.4736 4704.375       
183.3013 5001.998       169.5648 149.5281 2.919871 154.2205 2.618874 -4.692368 
3.922263 
1 1 1 1   16  26 o 112.8561 2.142024  2683.842       101.3477 2612.656       
146.0617 2749.937       140.7408 111.4018 3.122952 114.3105 2.932615 -2.908730 
4.284048 
1 1 1 1   16  27 o 45.30761 3.486499  445.6929       64.59587 350.8774       
95.02517 527.1459       88.07494 40.66007 5.566621 49.95515 4.199457 -9.295086 
6.972998 
1 1 1 1   16  28 o 126.2245 2.331874  3370.921       123.1155 3214.043       
179.3869 3510.612       169.2759 123.4088 3.462309 129.0403 3.124574 -5.631569 
4.663748 
1 1 1 1   16  29 o 101.2032 2.148176  2163.407       90.90069 1920.702       
127.4272 2414.884       129.7092 95.39221 3.181780 107.0142 2.887025 -11.62196 
4.296351 
1 1 1 1   16  30 o 43.11109 3.419469  398.2527       60.99845 317.7212       
85.24767 482.7456       87.31930 38.55991 5.265839 47.66228 4.363716 -9.102367 
6.838938 
1 1 1 1   16  31 o 44.61557 3.979380  410.2553       68.40134 474.5875       
128.4339 384.7832       80.81638 46.76171 6.541997 42.46943 4.532565 4.292282 
7.958761 
1 1 1 1   16  32 o 88.75027 2.957900  1692.353       99.60012 1657.444       
184.7745 1706.650       118.2502 87.77065 5.014340 89.72990 3.138961 -1.959244 
5.915799 
1 1 1 1   16  33 o 25.40279 5.485574  155.6518       62.95794 81.55545       
126.3453 180.1276       72.61546 22.70662 8.974708 28.09897 6.310367 -5.392347 
10.97115 
1 1 1 1   16  34 o 90.31915 2.716804  1646.197       93.94493 2008.983       
180.2633 1510.923       110.0750 96.40760 4.453661 84.23071 3.112715 12.17690 
5.433608 
1 1 1 1   16  35 o 43.32379 4.667019  434.7726       77.39132 410.4913       
131.8586 447.5327       95.58730 41.49175 7.855060 45.15583 5.042053 -3.664085 
9.334038 
1 1 1 1   16  36 o 29.73343 5.569756  184.9896       67.63240 328.4911       
125.0117 125.6075       80.41739 36.38438 8.355301 23.08249 7.367337 13.30189 
11.13951 
1 1 1 1   16  37 o 86.20273 3.056965  1567.950       101.6121 1800.362       
189.8354 1474.623       120.2959 89.81973 5.034153 82.58574 3.469500 7.233986 
6.113929 
1 1 1 1   16  38 o 50.24097 4.370251  572.1467       87.54311 650.4089       
152.5431 533.7128       106.8992 52.01148 6.985770 48.47046 5.253131 3.541019 
8.740501 
1 1 1 1   16  39 o 30.78269 6.218144  248.0320       80.11893 349.4167       
142.5296 201.1977       96.87257 34.37012 9.543991 27.19526 7.973298 7.174860 
12.43629 
1 1 1 1   17  0  o 161.4196 2.010783  5403.961       129.8105 5251.436       
159.6963 5701.015       222.8654 158.1229 2.405588 164.7163 3.222754 -6.593384 
4.021567 
1 1 1 1   17  1  o 336.8725 3.366148  23855.88       377.5792 23893.66       
853.9646 23846.70       420.9628 336.8315 6.038766 336.9135 2.976092 
-0.8203125E-01 6.732297 
1 1 1 1   17  2  o 92.64857 2.134278  1798.129       82.33562 1842.325       
125.3820 1764.621       109.1737 93.64252 3.189209 91.65463 2.837166 1.987885 
4.268556 
1 1 1 1   17  3  o 259.6190 5.082662  14178.34       553.9960 0.000000       
0.000000 14178.34       553.9960 ?        ?        259.6190 5.082662 ? ? 
1 1 1 1   17  4  o 49.90602 2.460048  517.4207       51.21238 605.8118       
76.86275 446.8539       68.67706 53.69670 3.409489 46.11534 3.547214 7.581367 
4.920096 
1 1 1 1   17  5  o 157.5165 2.132220  5099.617       129.2885 4939.186       
153.4510 5492.156       240.0298 153.3590 2.383317 161.6740 3.536275 -8.314987 
4.264439 
1 1 1 1   17  6  f 314.3334 3.976699  20758.03       517.1050 20602.99       
674.7354 20978.70       804.9766 312.9753 5.135047 315.6914 6.073535 -2.716095 
7.953398 
1 1 1 1   17  7  o 414.4364 3.481823  36112.13       603.0638 36209.48       
897.2013 36031.89       814.5054 414.9103 5.150587 413.9624 4.686559 0.9479065 
6.963647 
1 1 1 1   17  8  o 284.6099 3.001188  17066.47       351.4150 17228.18       
454.9388 16827.25       553.3379 286.3251 3.784554 282.8948 4.658934 3.430328 
6.002375 
1 1 1 1   17  9  o 199.2525 2.540501  8291.952       211.2700 7908.233       
281.3375 8788.168       319.9312 194.0059 3.454090 204.4992 3.726371 -10.49329 
5.081002 
1 1 1 1   17  10 o 398.6485 5.023063  33486.92       832.1147 33443.32       
1100.735 33545.06       1271.152 398.4590 6.579916 398.8380 7.591400 
-0.3790894     10.04613 
1 1 1 1   17  11 o 138.6885 1.928539  3935.389       104.5906 4325.531       
189.5372 3764.573       125.4140 143.4884 3.146289 133.8886 2.231123 9.599808 
3.857077 
1 1 1 1   17  12 o 304.2387 7.864763  19535.32       1004.567 19535.32       
1004.567 0.000000       0.000000 304.2387 7.864763 ?        ?        ? ? 
1 1 1 1   17  13 o 175.9676 2.706573  6489.861       179.1382 6551.834       
340.5670 6466.155       210.6307 176.4936 4.596157 175.4417 2.859631 1.051895 
5.413146 
1 1 1 1   17  14 o 155.9043 2.359502  4937.600       128.1508 5415.909       
278.6947 4809.350       144.3124 160.4855 4.136318 151.3232 2.271534 9.162354 
4.719004 
1 1 1 1   17  15 o 249.4098 3.750039  12937.88       350.2023 13455.17       
675.3507 12747.62       409.5703 252.6062 6.368048 246.2134 3.962214 6.392838 
7.500078 
1 1 1 1   17  16 o 81.56976 2.061096  1363.641       69.16108 1568.100       
112.1137 1238.036       87.87331 86.37833 3.091540 76.76121 2.726693 9.617119 
4.122192 
1 1 1 1   17  17 o 317.3670 3.798643  21230.18       465.2463 21226.12       
844.5346 21231.96       557.4634 317.0921 6.343853 317.6418 4.180225 
-0.5497131     7.597286 
1 1 1 1   17  18 o 62.86172 2.111506  834.4950       55.45984 776.8607       
80.59583 886.3304       76.43371 60.78539 3.158162 64.93804 2.803540 -4.152649 
4.223011 
1 1 1 1   17  19 f 182.3942 2.623850  6994.936       200.8028 6670.401       
279.6996 7340.117       288.4589 178.0285 3.742170 186.7600 3.678928 -8.731491 
5.247699 
1 1 1 1   17  20 o 37.09076 3.660218  289.6378       54.26944 389.4240       
82.13340 212.3137       72.30063 42.97618 4.552114 31.20534 5.732978 11.77084 
7.320436 
1 1 1 1   17  21 o 151.2805 1.951861  4817.958       121.9637 4785.436       
190.0255 4840.741       159.0454 150.8204 3.001047 151.7406 2.496551 
-0.9201660     3.903722 
1 1 1 1   17  22 o 115.8344 2.318527  2815.271       111.8930 2898.994       
170.1069 2751.418       148.5548 117.3291 3.453323 114.3397 3.094646 2.989464 
4.637054 
1 1 1 1   17  23 o 129.4894 1.991287  3527.118       106.3024 3529.293       
166.9471 3525.636       137.8623 129.4964 3.070735 129.4825 2.536038 
0.1393127E-01  3.982575 
1 1 1 1   17  24 o 85.67924 2.129979  1544.754       75.71450 1544.782       
116.3416 1544.733       99.72227 85.66393 3.234879 85.69456 2.771788 
-0.3063965E-01 4.259959 
1 1 1 1   17  25 o 63.81318 2.390917  862.9034       63.54664 806.1300       
94.09716 910.5064       86.16312 61.85633 3.623376 65.77002 3.120431 -3.913689 
4.781835 
1 1 1 1   17  26 o 104.5133 1.905559  2283.143       82.26741 2379.982       
129.5834 2217.760       106.4776 106.3387 2.902545 102.6879 2.469789 3.650826 
3.811119 
1 1 1 1   17  27 f 144.7657 2.093333  4414.959       127.2042 4340.378       
180.5088 4488.532       179.2853 143.5452 2.995234 145.9862 2.925190 -2.440948 
4.186665 
1 1 1 1   17  28 f 91.35942 2.470488  1765.610       94.55286 1697.109       
136.5641 1828.684       131.0426 89.63328 3.629010 93.08556 3.353137 -3.452278 
4.940977 
1 1 1 1   17  29 o 34.83467 4.365950  262.2310       61.96629 321.9521       
91.94794 212.5369       83.87457 38.81258 5.642746 30.85677 6.663744 7.955816 
8.731899 
1 1 1 1   17  30 o 86.22852 2.084677  1584.395       74.49014 1466.350       
112.2915 1677.164       99.54623 83.28663 3.211387 89.17040 2.659042 -5.883774 
4.169354 
1 1 1 1   17  31 o 139.2650 3.378125  4137.461       176.6511 4174.277       
335.7682 4123.371       207.7231 139.1084 5.749197 139.4215 3.548754 
-0.3131256     6.756250 
1 1 1 1   17  32 o 77.38026 3.206666  1313.765       93.47079 1213.215       
172.5466 1355.527       111.2002 74.85793 5.490218 79.90258 3.314865 -5.044647 
6.413332 
1 1 1 1   17  33 o 26.13288 5.384170  162.9743       62.52027 118.6558       
109.3123 184.5195       76.21690 23.90076 8.561769 28.36500 6.530947 -4.464243 
10.76834 
1 1 1 1   17  34 o 85.42331 2.894575  1572.737       95.43404 1567.846       
172.5546 1574.892       114.5478 84.89735 4.841205 85.94927 3.174428 -1.051926 
5.789150 
1 1 1 1   17  35 o 88.72186 3.164580  1687.142       107.8214 1779.039       
199.1631 1649.042       128.2393 89.78444 5.283588 87.65928 3.484530 2.125160 
6.329159 
1 1 1 1   17  36 o 63.86816 3.541055  896.3976       88.14883 919.8767       
157.2563 885.6402       106.4438 63.86253 5.865203 63.87379 3.969343 
-0.1126480E-01 7.082111 
1 1 1 1   17  37 o 82.19329 3.279644  1386.651       102.3195 1762.769       
200.2496 1253.758       119.0310 88.43398 5.393537 75.95260 3.732831 12.48138 
6.559289 
1 1 1 1   17  38 o 31.40264 6.073161  257.7076       79.22113 279.0004       
138.0801 247.2595       96.72411 31.55677 9.582107 31.24851 7.464340 0.3082638 
12.14632 
1 1 1 1   17  39 o 19.83842 5.886996  69.12402       77.96702 109.8583       
137.9990 50.02487       94.49370 21.86569 9.096534 17.81115 7.475291 4.054541 
11.77399 
1 1 1 1   18  0  o 116.9560 1.812095  2859.316       88.25155 2767.384       
116.7321 2981.960       134.8276 114.7776 2.422446 119.1344 2.695646 -4.356743 
3.624190 
1 1 1 1   18  1  o 213.4096 2.399298  9316.718       183.5718 9091.280       
209.3543 10066.62       381.8303 208.0416 2.396915 218.7776 4.157082 -10.73602 
4.798597 
1 1 1 1   18  2  o 143.2022 2.523990  4311.149       150.1765 4305.414       
229.3867 4315.452       198.6726 143.1052 3.817981 143.2991 3.302291 
-0.1939240     5.047980 
1 1 1 1   18  3  o 81.78807 2.000201  1403.240       68.62927 1335.899       
95.08821 1476.461       99.15218 79.74265 2.840254 83.83350 2.817123 -4.090851 
4.000402 
1 1 1 1   18  4  o 255.9796 4.207649  13938.62       433.7405 13300.48       
715.1262 14309.98       545.5403 251.1713 6.781624 260.7880 4.982650 -9.616684 
8.415298 
1 1 1 1   18  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   18  6  o 139.1147 2.449631  4051.830       142.2386 4201.158       
214.6024 3934.831       189.9564 141.3856 3.615352 136.8438 3.306356 4.541718 
4.899261 
1 1 1 1   18  7  o 119.4358 1.816619  2989.434       90.81937 3080.078       
134.5287 2913.530       123.1061 121.0934 2.646156 117.7782 2.489634 3.315186 
3.633238 
1 1 1 1   18  8  o 187.0579 1.798743  6954.586       111.0430 6727.307       
122.5281 7999.274       262.6935 178.9964 1.630469 195.1193 3.206786 -16.12292 
3.597486 
1 1 1 1   18  9  o 268.5211 1.972208  15149.92       222.2548 15005.84       
317.7628 15287.92       310.9786 267.2680 2.831895 269.7743 2.745687 -2.506226 
3.944417 
1 1 1 1   18  10 o 37.50100 3.114016  301.5889       47.85092 263.7327       
73.38741 329.5862       63.11190 35.40466 4.937216 39.59734 3.796350 -4.192680 
6.228032 
1 1 1 1   18  11 o 122.5548 3.108449  3155.874       159.9385 0.000000       
0.000000 3155.874       159.9385 ?        ?        122.5548 3.108449 ? ? 
1 1 1 1   18  12 o 146.8311 2.361025  4548.284       142.8884 4437.204       
223.0851 4625.556       186.0650 145.2883 3.657304 148.3739 2.986951 -3.085648 
4.722049 
1 1 1 1   18  13 o 274.2099 3.786386  15538.40       356.6393 16351.15       
782.8419 15325.54       400.6282 278.4066 6.697543 270.0132 3.534091 8.393494 
7.572773 
1 1 1 1   18  14 o 103.1460 2.206340  2248.169       93.83488 2168.304       
145.8582 2304.563       122.5656 101.5624 3.420729 104.7295 2.787537 -3.167023 
4.412681 
1 1 1 1   18  15 o 155.4696 2.770279  5111.848       178.9474 4872.937       
269.7306 5299.671       239.1585 152.1821 4.221704 158.7571 3.588175 -6.575089 
5.540558 
1 1 1 1   18  16 o 242.4208 3.024935  12022.14       255.0397 12994.39       
553.8679 11760.52       287.3120 248.2911 5.313321 236.5505 2.893016 11.74062 
6.049870 
1 1 1 1   18  17 o 175.4272 2.966437  6440.306       202.2365 6580.450       
364.5467 6378.000       243.0699 176.7038 4.913923 174.1506 3.324508 2.553238 
5.932874 
1 1 1 1   18  18 o 85.68541 2.010285  1541.309       70.30991 1552.955       
113.8091 1534.121       89.41359 85.93197 3.154593 85.43885 2.492696 0.4931183 
4.020570 
1 1 1 1   18  19 o 34.62642 3.900248  265.2982       53.46865 213.3519       
80.93746 305.5230       71.22286 31.18217 6.402449 38.07066 4.456050 -6.888491 
7.800496 
1 1 1 1   18  20 o 166.9626 2.682003  5845.896       185.1666 6018.958       
289.8760 5726.605       240.6666 168.9952 4.085630 164.9301 3.475657 4.065033 
5.364007 
1 1 1 1   18  21 o 86.78552 2.332266  1588.698       84.09406 1563.181       
127.9681 1608.093       111.5659 86.15233 3.537984 87.41872 3.039822 -1.266388 
4.664531 
1 1 1 1   18  22 o 120.1049 1.944927  3037.924       97.88320 2970.438       
141.9831 3099.050       135.1268 118.8235 2.846134 121.3864 2.651505 -2.562935 
3.889853 
1 1 1 1   18  23 o 64.54935 2.380938  883.6117       63.88102 743.3212       
90.59351 1022.352       90.09140 59.40067 3.632677 69.69804 3.078817 -10.29736 
4.761875 
1 1 1 1   18  24 o 111.2995 2.279805  2609.619       105.4580 2594.233       
160.6986 2621.257       139.7635 110.9885 3.448700 111.6105 2.982702 
-0.6220016     4.559609 
1 1 1 1   18  25 o 69.33247 2.576713  1027.211       73.93056 864.9124       
107.5475 1172.617       101.7966 64.03975 4.000108 74.62520 3.249143 -10.58545 
5.153425 
1 1 1 1   18  26 o 76.15999 2.211559  1220.835       70.23100 1228.831       
105.8346 1214.544       93.87981 76.36815 3.300932 75.95182 2.944117 0.4163284 
4.423119 
1 1 1 1   18  27 o 62.08974 2.802685  816.5876       72.63838 794.8485       
107.8762 834.6199       98.24971 61.30777 4.191128 62.87170 3.722178 -1.563931 
5.605369 
1 1 1 1   18  28 o 107.2417 2.372547  2422.471       106.2760 2482.818       
159.3630 2374.138       142.6208 108.4143 3.501241 106.0691 3.202692 2.345215 
4.745094 
1 1 1 1   18  29 o 107.3588 2.197356  2426.894       98.45013 2493.548       
148.3864 2374.480       131.5824 108.6420 3.253249 106.0756 2.954633 2.566429 
4.394711 
1 1 1 1   18  30 o 27.81760 5.671011  162.1627       66.88127 219.8225       
116.6894 133.9542       81.61768 31.03875 8.641074 24.59645 7.346653 6.442297 
11.34202 
1 1 1 1   18  31 f 47.12257 3.722894  456.1925       67.39380 531.7148       
127.3842 426.8368       79.41904 49.50724 6.128693 44.73790 4.228342 4.769348 
7.445787 
1 1 1 1   18  32 f 74.06114 2.663555  1159.505       79.24821 1203.470       
134.0735 1135.897       98.24814 74.97239 4.259540 73.14989 3.199128 1.822495 
5.327110 
1 1 1 1   18  33 o 37.32773 5.104262  319.6108       72.01770 313.3663       
130.7281 322.3317       86.29285 36.19617 8.697812 38.45928 5.344347 -2.263107 
10.20852 
1 1 1 1   18  34 o 52.25080 3.736835  577.1296       77.43746 666.0490       
137.3938 535.7328       93.74585 54.78153 5.973845 49.72007 4.490982 5.061455 
7.473670 
1 1 1 1   18  35 o 20.36445 5.557991  62.50268       64.07117 124.5495       
113.8874 33.77135       77.49854 23.85311 8.719720 16.87580 6.894312 6.977303 
11.11598 
1 1 1 1   18  36 o 40.48672 5.253525  433.7700       78.03928 282.9924       
136.1584 507.5314       95.23374 32.97969 9.384007 47.99375 4.726365 -15.01406 
10.50705 
1 1 1 1   18  37 o 48.41197 4.301483  522.6027       83.26987 596.0665       
144.4848 486.0664       101.8938 50.32000 6.839159 46.50395 5.218899 3.816051 
8.602965 
1 1 1 1   18  38 o 29.27886 6.075594  240.4391       80.09141 180.4856       
145.2444 266.6343       96.00703 25.95208 9.784036 32.60564 7.205833 -6.653568 
12.15119 
1 1 1 1   18  39 o 19.80241 5.887015  65.18885       78.72108 126.5509       
137.2248 35.08974       96.10797 22.44388 9.172374 17.16094 7.382096 5.282938 
11.77403 
1 1 1 1   19  0  o 172.7602 2.279109  6117.974       136.4886 6555.921       
297.2333 6000.953       153.6455 176.5040 4.011103 169.0164 2.165271 7.487671 
4.558218 
1 1 1 1   19  1  o 264.5934 3.767758  14667.61       409.7398 15177.70       
654.5870 14338.99       525.4005 268.2531 5.812243 260.9338 4.796021 7.319214 
7.535515 
1 1 1 1   19  2  o 135.3304 2.322129  3847.294       131.8431 3917.451       
190.6945 3783.048       182.4849 136.5090 3.327346 134.1519 3.240046 2.357117 
4.644258 
1 1 1 1   19  3  o 244.2363 4.114315  12597.33       420.9265 12146.68       
609.2257 13008.96       582.2501 240.0086 6.046061 248.4640 5.581710 -8.455353 
8.228629 
1 1 1 1   19  4  o 161.0361 2.653415  5464.319       178.1863 5347.776       
266.4205 5558.643       239.6819 159.4627 3.979510 162.6096 3.510834 -3.146881 
5.306831 
1 1 1 1   19  5  o 142.0178 2.289831  4247.163       136.1830 3913.020       
193.1138 4577.716       192.0741 136.4433 3.371183 147.5923 3.099746 -11.14902 
4.579661 
1 1 1 1   19  6  o 121.9469 2.007612  3129.655       101.4102 3092.250       
156.2687 3156.868       133.2884 121.3073 3.068360 122.5865 2.589826 -1.279259 
4.015224 
1 1 1 1   19  7  o 167.5342 5.300616  5910.042       372.8282 5910.042       
372.8282 0.000000       0.000000 167.5342 5.300616 ?        ?        ? ? 
1 1 1 1   19  8  o 34.74499 3.518621  272.8531       46.38019 210.3497       
75.79800 310.2611       58.63924 31.07287 6.025336 38.41711 3.635672 -7.344236 
7.037242 
1 1 1 1   19  9  o 202.2644 2.376916  8545.737       188.1144 8454.275       
227.3335 8744.380       335.0260 200.6034 2.699269 203.9255 3.913165 -3.322067 
4.753831 
1 1 1 1   19  10 o 224.2198 2.486226  10461.56       205.4256 10791.54       
405.5353 10347.67       238.2552 226.4999 4.264634 221.9397 2.556986 4.560150 
4.972452 
1 1 1 1   19  11 o 98.28445 2.754102  2037.107       113.0716 1968.426       
166.9073 2095.365       153.7202 96.73908 4.109551 99.82981 3.667683 -3.090729 
5.508204 
1 1 1 1   19  12 o 187.1519 2.524590  7380.419       185.6085 7318.166       
325.5271 7410.408       225.9328 186.5130 4.157182 187.7908 2.865669 -1.277771 
5.049180 
1 1 1 1   19  13 o 194.1778 2.259167  7857.502       158.8704 8060.731       
321.5620 7791.876       182.7296 195.7587 3.912593 192.5968 2.259857 3.161880 
4.518334 
1 1 1 1   19  14 o 165.6245 2.425800  5689.832       158.2935 5992.969       
280.0982 5547.584       191.8713 168.7759 3.952946 162.4730 2.812872 6.302902 
4.851601 
1 1 1 1   19  15 o 158.5114 2.150418  5271.488       135.0632 5313.795       
233.8766 5250.318       165.4391 158.9501 3.504670 158.0728 2.492884 0.8772736 
4.300835 
1 1 1 1   19  16 o 159.7695 2.681487  5248.261       162.6228 5660.620       
309.3039 5090.721       191.1800 163.9268 4.494242 155.6122 2.926307 8.314575 
5.362973 
1 1 1 1   19  17 o 53.75255 2.671171  620.9462       58.88268 532.8492       
89.40376 688.4352       78.25150 50.29592 4.233934 57.20917 3.257977 -6.913250 
5.342341 
1 1 1 1   19  18 o 169.4756 2.592627  5881.161       164.8032 6415.586       
320.4808 5689.030       192.1571 174.4632 4.375416 164.4880 2.782552 9.975143 
5.185254 
1 1 1 1   19  19 o 241.1233 2.638911  12106.91       217.9467 12485.90       
477.9018 12007.39       244.8965 243.2502 4.679576 238.9964 2.440688 4.253815 
5.277821 
1 1 1 1   19  20 o 75.07907 2.183170  1163.181       66.16310 1268.505       
112.0157 1106.747       81.99452 77.61622 3.437537 72.54192 2.692259 5.074295 
4.366339 
1 1 1 1   19  21 o 82.45813 2.268010  1411.829       76.69840 1520.099       
124.3095 1345.277       97.46080 84.95499 3.485272 79.96127 2.903162 4.993713 
4.536019 
1 1 1 1   19  22 o 43.73554 3.359910  397.9290       61.18737 453.7892       
94.15678 357.0951       80.50268 46.34759 4.838888 41.12350 4.662742 5.224091 
6.719821 
1 1 1 1   19  23 o 92.25460 1.864300  1792.971       72.07413 1683.452       
102.5944 1899.690       101.2748 89.46201 2.731532 95.04720 2.537951 -5.585190 
3.728600 
1 1 1 1   19  24 o 57.84995 2.843681  715.5585       67.76021 646.5107       
103.4443 767.4515       89.67809 55.34180 4.452198 60.35811 3.538928 -5.016315 
5.687361 
1 1 1 1   19  25 o 110.4466 2.392240  2575.355       110.5266 2497.630       
161.9249 2643.159       151.2383 108.8638 3.542837 112.0293 3.215519 -3.165512 
4.784481 
1 1 1 1   19  26 o 105.0755 1.989240  2313.977       86.71376 2392.618       
134.2962 2257.747       113.5592 106.5776 3.001366 103.5733 2.611534 3.004265 
3.978481 
1 1 1 1   19  27 o 76.34091 2.498170  1242.895       79.09918 1036.859       
113.0589 1440.440       110.7046 70.04036 3.844831 82.64146 3.190720 -12.60110 
4.996341 
1 1 1 1   19  28 o 86.50235 2.327918  1569.190       83.82598 1661.320       
128.5597 1501.050       110.5613 88.66993 3.453422 84.33476 3.122610 4.335167 
4.655837 
1 1 1 1   19  29 o 69.61107 2.358066  1006.374       68.23319 1159.487       
105.9714 897.9410       89.17929 74.04252 3.409011 65.17962 3.258917 8.862900 
4.716131 
1 1 1 1   19  30 o 31.36660 5.279250  218.8118       66.26955 240.7875       
111.8148 206.9129       82.27707 32.41518 8.204725 30.31802 6.645631 2.097155 
10.55850 
1 1 1 1   19  31 o 34.31781 5.213126  255.8203       68.88617 308.6650       
123.3896 231.8917       83.03026 36.52643 8.241719 32.10919 6.385984 4.417240 
10.42625 
1 1 1 1   19  32 o 46.30731 3.643145  469.0236       64.12314 451.9677       
117.8333 476.1996       76.43124 45.39536 6.182692 47.21927 3.855429 -1.823910 
7.286289 
1 1 1 1   19  33 o 15.38368 4.958114  -40.15218      67.46542 -104.3037      
124.1109 -13.24534      80.37808 15.79685 7.405576 14.97051 6.594620 0.8263474 
9.916227 
1 1 1 1   19  34 o 27.73171 5.969966  182.0822       71.55798 181.2722       
134.1866 182.4041       84.58952 27.68329 9.527454 27.78013 7.196499 
-0.9684372E-01 11.93993 
1 1 1 1   19  35 o 26.91116 6.045938  164.3371       71.61153 216.0439       
132.0164 142.7792       85.24250 29.32014 9.447723 24.50218 7.546786 4.817959 
12.09188 
1 1 1 1   19  36 o 40.46546 4.903390  378.0428       75.97438 408.9381       
134.2870 363.4980       92.13829 40.66916 8.152337 40.26177 5.450902 0.4073830 
9.806780 
1 1 1 1   19  37 o 66.32227 3.187207  941.0113       85.86884 1103.680       
144.6148 852.4271       106.7184 70.28973 4.900518 62.35480 4.076528 7.934921 
6.374414 
1 1 1 1   19  38 o 71.02173 3.151883  1092.159       87.81432 1231.759       
158.1760 1029.964       105.5793 73.49564 5.126254 68.54781 3.668650 4.947830 
6.303766 
1 1 1 1   19  39 o 18.51668 5.725444  22.68156       80.03098 117.6220       
140.4033 -23.01153      97.40404 22.03833 9.172340 14.99502 6.854998 7.043307 
11.45089 
1 1 1 1   20  0  o 194.6983 2.310282  7574.146       129.1258 7433.513       
138.2547 8534.800       361.3422 188.1226 1.750492 201.2740 4.276142 -13.15140 
4.620564 
1 1 1 1   20  1  o 120.1996 2.345270  3032.070       118.1831 3165.430       
172.8748 2915.056       161.9334 122.6724 3.356647 117.7267 3.276291 4.945702 
4.690540 
1 1 1 1   20  2  f 37.96815 2.803252  298.8821       44.34935 347.6638       
67.68806 262.1885       58.70557 40.64204 3.966958 35.29426 3.961835 5.347778 
5.606504 
1 1 1 1   20  3  o 30.68514 3.398698  202.8537       42.39911 184.8470       
62.25652 218.4299       57.90272 29.15945 5.279344 32.21082 4.281719 -3.051371 
6.797396 
1 1 1 1   20  4  o 137.4015 2.308141  3957.873       130.6701 3910.406       
168.7803 4028.894       206.4499 136.3965 2.947404 138.4066 3.552867 -2.010132 
4.616282 
1 1 1 1   20  5  o 175.3368 2.454306  6463.931       174.7465 6467.792       
286.1113 6461.635       220.6917 175.3399 3.886649 175.3337 2.998070 
0.6240845E-02  4.908611 
1 1 1 1   20  6  o 125.6376 2.143637  3311.581       112.9503 3453.047       
164.4409 3185.222       155.4128 128.1718 3.055896 123.1034 3.007029 5.068382 
4.287274 
1 1 1 1   20  7  o 128.9322 2.058516  3491.284       111.3889 3401.259       
155.0693 3587.253       160.1069 127.2165 2.903377 130.6478 2.918966 -3.431229 
4.117033 
1 1 1 1   20  8  o 125.2510 2.731434  3296.518       143.6319 0.000000       
0.000000 3296.518       143.6319 ?        ?        125.2510 2.731434 ? ? 
1 1 1 1   20  9  o 18.62889 5.171326  35.91955       61.38177 74.95430       
83.69464 -9.514133      90.29443 20.70423 7.484183 16.55355 7.138448 4.150679 
10.34265 
1 1 1 1   20  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   20  11 o 91.11494 2.004075  1740.278       75.18208 1767.525       
118.9853 1722.170       96.99883 91.69695 3.090720 90.53294 2.552001 1.164001 
4.008149 
1 1 1 1   20  12 o 134.5941 2.297813  3772.071       126.5384 3969.862       
205.5458 3651.362       160.5732 137.3857 3.563594 131.8024 2.901823 5.583313 
4.595626 
1 1 1 1   20  13 o 20.00934 3.852915  75.72209       44.05187 -51.06335      
68.47243 165.2578       57.54123 12.46459 5.718733 27.55409 5.164872 -15.08950 
7.705830 
1 1 1 1   20  14 o 36.58470 3.321459  281.4530       49.88350 284.8416       
79.56223 279.2582       64.03204 36.75140 5.156489 36.41801 4.187957 0.3333931 
6.642918 
1 1 1 1   20  15 o 254.0997 4.327596  13481.54       427.1005 14091.46       
774.4898 13215.00       511.9874 257.8529 7.154261 250.3466 4.871231 7.506317 
8.655191 
1 1 1 1   20  16 o 118.6621 2.366311  2859.557       108.5715 3225.985       
201.9440 2710.580       128.7644 123.7756 3.886125 113.5486 2.701063 10.22699 
4.732622 
1 1 1 1   20  17 o 214.9018 2.865138  9698.214       244.6317 9829.688       
421.7605 9631.558       300.3094 215.8699 4.653663 213.9338 3.343572 1.936096 
5.730275 
1 1 1 1   20  18 o 118.2643 2.261597  2956.862       108.6735 2888.869       
176.5747 2998.320       137.8802 117.1263 3.590832 119.4022 2.750493 -2.275909 
4.523194 
1 1 1 1   20  19 o 319.0712 4.375688  21209.95       515.3580 22384.55       
1018.871 20806.12       597.4172 324.1647 7.486428 313.9777 4.532105 10.18704 
8.751376 
1 1 1 1   20  20 o 178.5695 2.626548  6656.758       180.4608 6874.667       
331.9524 6565.339       215.0079 180.4930 4.380629 176.6459 2.899158 3.847092 
5.253097 
1 1 1 1   20  21 o 49.52140 3.034505  510.2763       62.46764 567.1174       
96.95193 469.9294       81.68270 51.83744 4.454859 47.20536 4.121543 4.632088 
6.069010 
1 1 1 1   20  22 o 211.8860 2.824791  9451.098       228.2837 9498.143       
423.4277 9431.821       271.0497 212.0678 4.755821 211.7042 3.049583 0.3636169 
5.649583 
1 1 1 1   20  23 o 68.04929 2.589848  974.4794       73.18637 983.8500       
112.3132 967.5641       96.48331 68.31517 3.915928 67.78339 3.390392 0.5317764 
5.179697 
1 1 1 1   20  24 o 44.68109 3.195678  410.2447       58.97806 487.3362       
94.33153 360.7696       75.56953 48.02407 4.678633 41.33811 4.354288 6.685959 
6.391356 
1 1 1 1   20  25 o 177.5484 3.499653  6618.189       243.5613 6834.094       
432.8968 6518.188       294.6159 179.3814 5.748149 175.7154 3.993626 3.665970 
6.999305 
1 1 1 1   20  26 o 93.83148 2.381445  1871.378       92.14854 1776.271       
142.4581 1939.800       120.8315 91.71901 3.699550 95.94395 2.999740 -4.224945 
4.762889 
1 1 1 1   20  27 o 52.35512 3.250430  564.0079       70.04342 751.0487       
109.3056 433.6918       91.23744 59.52386 4.373935 45.18637 4.809353 14.33749 
6.500860 
1 1 1 1   20  28 o 91.69245 2.256796  1784.546       84.78684 1733.278       
134.5012 1818.353       109.2210 90.53069 3.538763 92.85422 2.801725 -2.323532 
4.513592 
1 1 1 1   20  29 o 110.1357 2.197799  2529.882       95.69567 2663.228       
168.0870 2465.934       116.4019 112.1363 3.570336 108.1352 2.563977 4.001122 
4.395597 
1 1 1 1   20  30 o 79.52079 2.765980  1342.985       86.77292 1349.400       
151.2492 1339.838       105.9421 79.48801 4.532235 79.55357 3.171978 
-0.6555176E-01 5.531961 
1 1 1 1   20  31 o 21.77772 5.551809  94.09756       65.28243 45.92037       
112.9524 118.2631       79.99688 20.40851 8.328007 23.14693 7.344021 -2.738420 
11.10362 
1 1 1 1   20  32 o 68.85120 3.160269  1017.682       86.61224 1027.007       
148.2708 1012.852       106.7118 68.82343 5.131455 68.87897 3.690173 
-0.5554199E-01 6.320539 
1 1 1 1   20  33 o 48.23769 4.088148  466.8093       76.70873 642.4952       
145.3310 398.9623       90.31402 53.68053 6.448559 42.79486 5.026720 10.88567 
8.176296 
1 1 1 1   20  34 o 25.09893 6.017610  130.7189       71.37252 200.8590       
128.7026 99.56927       85.76903 28.67670 9.334919 21.52115 7.596433 7.155554 
12.03522 
1 1 1 1   20  35 o 20.19829 5.655468  70.92034       70.62564 14.71834       
128.7169 95.12872       84.47780 19.38529 8.443169 21.01129 7.526633 -1.625998 
11.31094 
1 1 1 1   20  36 o 41.64336 4.534631  371.0982       75.52454 501.5841       
134.1414 310.5378       91.38514 46.32342 6.897368 36.96329 5.888788 9.360126 
9.069263 
1 1 1 1   20  37 o 19.27491 5.359083  69.13488       65.76962 -3.852234      
117.4310 102.4932       79.38922 17.57904 7.831514 20.97078 7.317544 -3.391735 
10.71817 
1 1 1 1   20  38 o 23.46783 5.980560  145.4456       76.84315 91.26910       
135.0016 171.4108       93.46066 21.46958 8.968595 25.46609 7.914083 -3.996508 
11.96112 
1 1 1 1   20  39 o 52.91191 4.237226  673.9098       89.13456 685.1107       
151.3599 667.9632       110.2861 52.07452 6.923194 53.74930 4.887301 -1.674774 
8.474452 
1 1 1 1   21  0  o 164.0847 3.910978  5602.316       211.2476 5844.282       
489.2554 5546.870       234.2038 165.8506 7.026509 162.3188 3.436736 3.531799 
7.821955 
1 1 1 1   21  1  o 78.18243 2.027899  1285.838       66.44650 1187.894       
93.20615 1387.057       94.75201 75.14984 2.954184 81.21503 2.778901 -6.065193 
4.055798 
1 1 1 1   21  2  o 96.01434 2.297440  1946.912       92.25581 1793.741       
132.4881 2091.091       128.5403 92.32280 3.418134 99.70589 3.070714 -7.383095 
4.594881 
1 1 1 1   21  3  o 70.78955 2.002430  1047.359       59.30322 980.8555       
79.87723 1129.036       88.52228 68.30252 2.785527 73.27657 2.877455 -4.974052 
4.004860 
1 1 1 1   21  4  o 153.3218 2.405802  4960.151       154.3270 4725.713       
224.4131 5170.500       212.5708 149.8577 3.566894 156.7860 3.229367 -6.928253 
4.811605 
1 1 1 1   21  5  o 205.8927 3.041355  8751.694       201.4235 9207.854       
482.0920 8655.224       221.7017 208.8566 5.497975 202.9289 2.602233 5.927750 
6.082709 
1 1 1 1   21  6  o 153.6630 2.699329  4995.020       163.8456 4893.839       
283.3808 5045.829       200.8139 152.4189 4.428459 154.9071 3.087759 -2.488174 
5.398658 
1 1 1 1   21  7  o 138.7945 2.529631  4074.069       142.7889 3966.183       
231.2418 4140.556       181.5311 137.2614 4.012721 140.3275 3.081266 -3.066132 
5.059262 
1 1 1 1   21  8  o 100.2947 2.353771  2147.792       97.00366 1936.262       
149.1452 2302.876       127.7046 95.92675 3.703315 104.6627 2.906270 -8.735901 
4.707541 
1 1 1 1   21  9  o 143.2069 3.416478  4357.029       181.7701 4248.213       
349.1932 4397.473       212.8865 141.8330 5.864209 144.5809 3.507183 -2.747818 
6.832956 
1 1 1 1   21  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   21  11 o 203.4189 3.788995  8709.731       319.2144 8863.685       
495.6698 8600.632       417.2628 204.8682 5.762871 201.9697 4.920900 2.898560 
7.577990 
1 1 1 1   21  12 o 92.69217 2.274443  1798.410       88.29282 1968.597       
129.9621 1652.530       120.3240 96.74612 3.199662 88.63821 3.233346 8.107903 
4.548886 
1 1 1 1   21  13 o 234.8223 3.677165  11568.34       323.5150 11790.84       
620.0015 11485.09       379.2365 236.0844 6.255275 233.5602 3.867518 2.524231 
7.354330 
1 1 1 1   21  14 o 195.7583 3.392246  7914.323       248.4131 8456.791       
482.7180 7718.914       289.7208 200.0201 5.748322 191.4966 3.603626 8.523483 
6.784492 
1 1 1 1   21  15 o 151.8086 2.109546  4740.423       122.2957 5104.355       
230.1745 4597.276       144.3574 155.7192 3.520757 147.8980 2.324866 7.821198 
4.219091 
1 1 1 1   21  16 o 124.4903 2.303537  3265.520       118.7291 3237.456       
183.4097 3285.764       155.7720 124.0025 3.523003 124.9781 2.968769 
-0.9756393     4.607075 
1 1 1 1   21  17 o 255.9663 3.792124  13634.48       373.4273 14406.37       
690.4553 13315.35       443.9621 260.6459 6.309657 251.2867 4.208210 9.359146 
7.584248 
1 1 1 1   21  18 o 110.2678 2.153704  2538.792       96.14002 2633.303       
159.9465 2485.331       120.2966 111.8274 3.406805 108.7081 2.635800 3.119370 
4.307408 
1 1 1 1   21  19 o 118.7757 2.158022  2971.827       106.3145 2950.837       
163.2307 2987.292       140.1074 118.3871 3.284116 119.1643 2.800503 
-0.7771835     4.316044 
1 1 1 1   21  20 o 91.36111 2.416078  1756.068       92.04986 1771.628       
138.7182 1743.825       123.0432 91.70628 3.602926 91.01596 3.220039 0.6903152 
4.832155 
1 1 1 1   21  21 o 161.1206 2.743593  5434.663       173.6522 5576.050       
307.0568 5368.179       210.5583 162.5386 4.499697 159.7027 3.140373 2.835876 
5.487186 
1 1 1 1   21  22 o 54.64080 2.987759  634.1628       67.28529 605.7675       
104.4044 654.3348       87.99704 53.55956 4.643046 55.72204 3.761509 -2.162479 
5.975519 
1 1 1 1   21  23 o 139.3060 2.473301  4118.483       142.9150 3871.478       
215.8343 4311.337       190.7135 135.5147 3.793631 143.0974 3.174467 -7.582687 
4.946603 
1 1 1 1   21  24 o 219.4332 3.153807  10039.68       255.3932 10464.83       
503.8663 9892.686       296.2714 222.1719 5.401909 216.6945 3.256589 5.477386 
6.307614 
1 1 1 1   21  25 o 75.54221 2.627856  1125.286       80.44730 1642.369       
134.0946 834.5336       100.5525 88.21786 3.620561 62.86655 3.809730 25.35131 
5.255712 
1 1 1 1   21  26 o 40.02632 4.379668  372.2573       66.83765 248.3861       
102.7537 463.1063       87.99792 33.31014 7.524508 46.74250 4.484165 -13.43236 
8.759336 
1 1 1 1   21  27 o 26.00006 4.609516  153.7212       57.35012 41.65646       
88.09101 236.1604       75.55515 18.73092 7.465239 33.26920 5.409322 -14.53827 
9.219032 
1 1 1 1   21  28 o 105.0796 2.265163  2339.723       96.39218 2308.721       
158.2380 2358.015       121.5465 104.4307 3.609139 105.7284 2.738241 -1.297707 
4.530325 
1 1 1 1   21  29 o 94.30386 2.318088  1786.903       83.53613 2114.241       
160.0730 1664.390       97.92876 99.79941 3.820420 88.80832 2.626502 10.99109 
4.636175 
1 1 1 1   21  30 o 111.7248 2.325857  2589.657       101.4149 2801.520       
183.6625 2496.724       121.6408 114.7499 3.812319 108.6997 2.665457 6.050194 
4.651713 
1 1 1 1   21  31 o 24.97690 5.602737  129.1685       64.35429 187.3273       
108.0532 97.19843       80.11279 28.43193 8.445156 21.52186 7.364916 6.910076 
11.20547 
1 1 1 1   21  32 o 72.34214 2.698014  1121.935       78.12786 1113.689       
131.7062 1126.412       97.04644 71.92362 4.361698 72.76066 3.176904 
-0.8370361     5.396029 
1 1 1 1   21  33 o 79.82832 3.243868  1392.293       99.09910 1357.249       
180.5413 1407.404       118.5555 78.55506 5.474236 81.10157 3.481877 -2.546509 
6.487737 
1 1 1 1   21  34 o 24.94392 5.846845  149.0212       70.96287 106.1012       
126.9686 168.5185       85.57635 23.33052 9.052719 26.55732 7.402072 -3.226799 
11.69369 
1 1 1 1   21  35 o 48.09110 4.111370  513.5176       77.58187 542.1959       
137.4473 500.1086       93.98525 48.49313 6.751141 47.68908 4.694203 0.8040543 
8.222739 
1 1 1 1   21  36 o 44.21138 4.461804  424.1573       78.08140 536.4816       
140.9412 374.4170       93.78957 47.69085 7.039212 40.73191 5.484548 6.958935 
8.923608 
1 1 1 1   21  37 o 19.77510 5.557624  54.90316       61.54197 139.6770       
122.9295 26.55038       71.09235 23.93336 9.005754 15.61684 6.514992 8.316518 
11.11525 
1 1 1 1   21  38 o 49.38380 4.388475  560.7494       86.12978 667.6904       
152.2631 510.4297       104.4459 51.85937 6.993401 46.90823 5.303509 4.951145 
8.776951 
1 1 1 1   21  39 o 27.24323 7.079443  217.6046       97.65610 306.8277       
188.0950 184.6790       114.2628 29.29836 11.10805 25.18810 8.779823 4.110262 
14.15889 
1 1 1 1   22  0  o 115.5339 3.076783  2733.577       126.8006 2975.495       
265.9642 2662.415       144.2498 118.5926 5.341790 112.4752 3.054778 6.117371 
6.153567 
1 1 1 1   22  1  o 139.6008 3.410805  4164.417       160.7586 4035.781       
353.6070 4197.931       180.4891 137.9639 6.104869 141.2377 3.043837 -3.273834 
6.821611 
1 1 1 1   22  2  o 189.2750 3.507298  7585.458       266.2240 7510.821       
447.2847 7626.405       331.2985 188.3712 5.655756 190.1788 4.149333 -1.807678 
7.014595 
1 1 1 1   22  3  o 131.3642 2.421009  3651.279       130.5247 3544.254       
206.1053 3722.944       168.6555 129.7063 3.784854 133.0221 3.019937 -3.315811 
4.842018 
1 1 1 1   22  4  o 187.1167 2.784716  7398.075       211.8774 7292.246       
344.3671 7462.541       268.7710 185.9483 4.411135 188.2851 3.400067 -2.336761 
5.569431 
1 1 1 1   22  5  o 85.30907 1.868047  1534.254       66.69862 1464.540       
96.81160 1597.242       92.02267 83.45303 2.763162 87.16510 2.514625 -3.712074 
3.736095 
1 1 1 1   22  6  o 52.78448 2.236292  585.2416       49.38809 597.2383       
73.25478 575.2446       66.87148 53.27530 3.275150 52.29365 3.045882 0.9816475 
4.472583 
1 1 1 1   22  7  o 152.3307 2.168902  4867.588       135.8404 4947.652       
215.9254 4815.145       174.7552 153.3337 3.354187 151.3278 2.750632 2.005920 
4.337805 
1 1 1 1   22  8  o 102.6977 2.620542  2215.436       112.8533 2335.350       
164.4631 2108.730       155.1418 105.3167 3.719564 100.0786 3.692398 5.238098 
5.241084 
1 1 1 1   22  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   22  10 o 194.7355 4.399082  8067.582       355.3023 7755.971       
540.4770 8304.732       471.5024 191.2677 6.730644 198.2034 5.666227 -6.935669 
8.798164 
1 1 1 1   22  11 o 173.2459 3.184147  6375.521       224.1157 6139.959       
362.7366 6520.962       285.0263 170.5343 5.066413 175.9574 3.858321 -5.423096 
6.368295 
1 1 1 1   22  12 o 124.4986 7.028955  3290.797       367.3958 3290.797       
367.3958 0.000000       0.000000 124.4986 7.028955 ?        ?        ? ? 
1 1 1 1   22  13 o 69.44108 2.832889  1017.132       82.36990 925.7710       
115.8170 1110.643       117.1721 66.27199 4.162586 72.61017 3.843685 -6.338181 
5.665778 
1 1 1 1   22  14 o 224.4323 2.890791  10449.71       234.7465 10950.01       
477.9972 10290.70       269.4826 227.6858 5.000466 221.1788 2.902073 6.507019 
5.781582 
1 1 1 1   22  15 o 203.7505 2.884303  8658.217       233.0682 9037.036       
406.1007 8472.155       284.6066 206.9010 4.675116 200.6001 3.379364 6.300919 
5.768606 
1 1 1 1   22  16 o 17.81758 4.835902  45.06831       51.14517 26.35096       
77.89225 59.25436       67.81142 17.14804 6.944961 18.48712 6.731366 -1.339079 
9.671803 
1 1 1 1   22  17 o 43.27042 3.125032  392.7177       56.37730 414.9626       
85.80254 375.8180       74.78687 44.33189 4.610044 42.20896 4.220285 2.122929 
6.250065 
1 1 1 1   22  18 o 202.7999 2.814635  8613.799       224.4961 8834.082       
396.0136 8509.484       272.5149 204.5479 4.611437 201.0518 3.228518 3.496048 
5.629270 
1 1 1 1   22  19 o 220.7287 3.793109  10217.07       329.7813 10566.31       
580.9982 10051.07       400.5619 223.2018 6.200094 218.2557 4.371447 4.946091 
7.586218 
1 1 1 1   22  20 o 158.5859 2.586919  5318.219       162.6401 5237.821       
279.6204 5359.326       199.9406 157.5810 4.226550 159.5909 2.984104 -2.009888 
5.173838 
1 1 1 1   22  21 o 86.08768 2.349044  1534.360       83.00631 1681.477       
134.6119 1444.101       105.4383 89.33942 3.588902 82.83594 3.031801 6.503479 
4.698088 
1 1 1 1   22  22 o 47.33987 3.279591  458.8542       64.16225 579.9743       
101.3083 377.7317       82.91016 52.39745 4.605280 42.28228 4.670575 10.11517 
6.559183 
1 1 1 1   22  23 f 179.6899 2.668242  6778.675       192.3014 6918.244       
325.4950 6703.839       238.3447 180.9798 4.283860 178.4001 3.182231 2.579742 
5.336483 
1 1 1 1   22  24 o 149.6372 2.956224  4735.769       179.6322 4721.547       
293.7202 4744.266       227.0418 149.3258 4.685113 149.9486 3.606489 
-0.6227722     5.912449 
1 1 1 1   22  25 f 96.75365 2.260178  1940.303       88.71841 2104.833       
148.2079 1848.423       110.7537 99.84335 3.535682 93.66396 2.816482 6.179382 
4.520356 
1 1 1 1   22  26 o 56.54652 3.093853  673.7119       72.30988 703.1608       
113.6667 653.6920       93.71912 57.53213 4.705914 55.56092 4.017722 1.971210 
6.187706 
1 1 1 1   22  27 o 102.0363 2.419579  2216.292       102.0283 2110.640       
156.7609 2293.939       134.3887 99.84078 3.739820 104.2319 3.071024 -4.391098 
4.839158 
1 1 1 1   22  28 o 33.86785 4.749172  253.1501       61.83359 253.2796       
110.1272 253.0905       74.72389 33.34348 7.964715 34.39222 5.175118 -1.048744 
9.498343 
1 1 1 1   22  29 o 61.85303 2.771034  796.0452       69.24140 877.7802       
117.1831 752.1996       85.82673 64.14571 4.351295 59.56035 3.432309 4.585365 
5.542068 
1 1 1 1   22  30 f 54.57755 2.957741  602.7724       65.94102 812.9147       
109.0989 481.8163       82.77087 61.66693 4.213946 47.48818 4.151577 14.17875 
5.915483 
1 1 1 1   22  31 o 19.04634 5.283254  51.10284       64.17997 -18.28119      
107.8443 89.15172       79.86168 17.22664 7.607090 20.86603 7.333708 -3.639397 
10.56651 
1 1 1 1   22  32 o 24.36659 5.523602  122.9800       60.17862 178.8649       
109.2783 98.65569       72.09533 27.54232 8.557284 21.19086 6.986673 6.351460 
11.04720 
1 1 1 1   22  33 o 25.40193 5.556744  159.9720       69.18119 64.65329       
124.4085 202.6416       83.23769 21.41883 8.740188 29.38503 6.864310 -7.966204 
11.11349 
1 1 1 1   22  34 o 69.70261 3.251472  1077.403       89.06249 1016.327       
153.1927 1108.586       109.4624 67.66446 5.392604 71.74075 3.634295 -4.076294 
6.502944 
1 1 1 1   22  35 o 43.50674 4.745107  427.5019       77.56355 481.1426       
142.9761 405.1320       92.33092 44.35189 7.968050 42.66160 5.155029 1.690292 
9.490213 
1 1 1 1   22  36 o 29.75454 5.559215  220.0513       66.44286 229.1115       
122.8600 216.3061       78.99046 29.47105 9.056783 30.03802 6.449353 
-0.5669651     11.11843 
1 1 1 1   22  37 o 49.18728 3.863420  574.0589       73.86176 492.7459       
124.7899 617.9070       91.63770 45.51011 6.531193 52.86444 4.128873 -7.354332 
7.726841 
1 1 1 1   22  38 o 18.59305 5.659261  46.16619       74.03235 75.98759       
135.8894 33.57912       88.28437 20.48401 8.793580 16.70208 7.126142 3.781933 
11.31852 
1 1 1 1   23  0  o 67.94762 2.647929  983.1406       70.61282 943.3475       
122.9707 1002.717       86.25016 66.86382 4.380580 69.03143 2.976008 -2.167618 
5.295857 
1 1 1 1   23  1  o 85.82829 2.432419  1539.450       80.80509 1581.880       
146.9198 1521.049       96.75308 86.61783 4.040118 85.03876 2.709998 1.579071 
4.864838 
1 1 1 1   23  2  o 89.43054 1.947116  1678.423       72.79488 1472.505       
100.4512 1906.163       105.6397 83.66018 2.859943 95.20090 2.643060 -11.54072 
3.894232 
1 1 1 1   23  3  o 137.9330 2.357627  3940.969       126.2647 4176.446       
229.9365 3839.308       151.0817 140.7588 3.890929 135.1071 2.663512 5.651703 
4.715255 
1 1 1 1   23  4  o 111.1853 2.071717  2600.501       96.69208 2539.315       
135.6512 2663.698       137.8620 109.8551 2.941200 112.5155 2.918457 -2.660393 
4.143434 
1 1 1 1   23  5  o 62.75757 2.199519  830.3297       57.85367 789.9877       
82.81221 868.7899       80.85769 61.26019 3.219861 64.25494 2.997339 -2.994751 
4.399039 
1 1 1 1   23  6  o 85.71251 2.143155  1560.811       76.36473 1355.343       
110.4427 1749.030       105.7051 80.23786 3.278527 91.18715 2.761107 -10.94929 
4.286310 
1 1 1 1   23  7  f 160.3026 2.934382  5379.700       178.0642 5508.990       
336.0024 5329.208       209.9741 161.4782 4.956209 159.1270 3.142991 2.351242 
5.868764 
1 1 1 1   23  8  o 128.4088 3.505827  3419.474       167.5080 3622.411       
327.5353 3347.597       194.9283 130.7581 5.966376 126.0595 3.683159 4.698601 
7.011655 
1 1 1 1   23  9  o 178.5831 4.410969  6757.695       330.5125 6636.340       
457.9741 6889.599       477.4655 176.9318 6.165326 180.2345 6.309940 -3.302628 
8.821938 
1 1 1 1   23  10 o 101.6297 2.682442  2176.055       114.2584 2180.392       
166.5937 2172.202       157.0040 101.7144 3.901191 101.5451 3.682756 0.1693497 
5.364884 
1 1 1 1   23  11 o 99.20744 2.516895  2081.402       103.3970 2019.232       
158.6772 2127.279       136.3092 97.88557 3.861151 100.5293 3.229637 -2.643738 
5.033790 
1 1 1 1   23  12 o 211.8918 3.725925  9480.433       312.5746 9537.658       
541.5133 9451.838       382.7823 212.1123 6.080850 211.6713 4.307357 0.4409943 
7.451849 
1 1 1 1   23  13 o 125.2252 4.319730  3308.408       227.1053 0.000000       
0.000000 3308.408       227.1053 ?        ?        125.2252 4.319730 ? ? 
1 1 1 1   23  14 o 77.66120 4.338600  1272.596       141.4597 1272.596       
141.4597 0.000000       0.000000 77.66120 4.338600 ?        ?        ? ? 
1 1 1 1   23  15 o 71.30054 2.828152  1070.028       83.56460 1083.295       
129.3272 1060.519       109.4907 71.65502 4.298970 70.94606 3.675955 0.7089615 
5.656305 
1 1 1 1   23  16 o 112.0906 2.452554  2600.810       109.0427 2783.200       
191.0240 2512.652       132.8062 114.9000 3.959946 109.2812 2.894635 5.618774 
4.905108 
1 1 1 1   23  17 o 114.2068 2.106822  2598.355       93.44829 3129.734       
174.5672 2384.921       110.6351 121.9126 3.410634 106.5011 2.474344 15.41153 
4.213645 
1 1 1 1   23  18 o 29.76561 4.477878  198.8322       54.26532 156.3252       
84.94379 228.1414       70.53480 26.68001 7.351945 32.85122 5.114145 -6.171202 
8.955756 
1 1 1 1   23  19 f 134.9703 2.536693  3808.363       137.2657 3935.212       
233.2564 3741.163       169.7752 136.6089 4.067012 133.3316 3.032928 3.277359 
5.073385 
1 1 1 1   23  20 o 73.42159 2.373309  1141.943       72.05963 1094.031       
110.6981 1177.175       94.92584 72.05511 3.659286 74.78805 3.023245 -2.732933 
4.746618 
1 1 1 1   23  21 o 62.32266 2.677884  814.1062       69.35531 851.6965       
106.9346 786.8126       91.11921 63.54071 4.008550 61.10460 3.551870 2.436111 
5.355768 
1 1 1 1   23  22 o 31.23038 4.777627  229.9408       61.72976 128.7013       
96.76548 299.4132       80.15884 24.86130 8.094259 37.59946 5.077979 -12.73816 
9.555255 
1 1 1 1   23  23 o 59.50871 2.845365  756.8817       69.89201 693.4046       
106.4573 804.9688       92.65773 57.24983 4.429169 61.76759 3.573075 -4.517757 
5.690729 
1 1 1 1   23  24 o 67.37680 2.586649  963.1769       70.43745 942.6499       
115.9326 975.1882       88.68262 66.74719 4.137078 68.00641 3.106059 -1.259216 
5.173298 
1 1 1 1   23  25 o 129.6328 2.898092  3564.584       153.6091 3535.032       
246.4035 3583.370       196.4563 129.0596 4.547549 130.2059 3.593820 -1.146286 
5.796184 
1 1 1 1   23  26 o 77.45117 2.440385  1264.136       79.03458 1312.573       
118.0264 1224.759       106.4166 78.77267 3.568819 76.12968 3.329481 2.642998 
4.880769 
1 1 1 1   23  27 o 115.0326 2.632136  2813.079       126.3321 2717.769       
187.5699 2892.210       170.9109 113.1757 3.947583 116.8895 3.482693 -3.713898 
5.264273 
1 1 1 1   23  28 o 17.57466 5.178716  -3.358253      62.90111 73.16534       
106.2554 -44.64312      78.04568 21.51920 8.295560 13.63012 6.201618 7.889080 
10.35743 
1 1 1 1   23  29 o 20.58727 5.419731  76.35548       62.19806 65.02054       
98.83685 83.78757       80.03226 20.52839 7.982649 20.64616 7.332888 
-0.1177750     10.83946 
1 1 1 1   23  30 o 42.38279 4.352805  422.3932       69.45729 319.6208       
113.3309 484.2177       87.90032 37.26512 7.507309 47.50046 4.407717 -10.23534 
8.705610 
1 1 1 1   23  31 o 22.38326 5.344908  65.30477       64.69891 209.8015       
109.6340 -11.90750      80.14191 29.73972 8.407230 15.02679 6.602322 14.71293 
10.68982 
1 1 1 1   23  32 o 69.62199 3.025233  1040.319       84.34205 1069.306       
143.1964 1024.921       104.3661 70.07168 4.867552 69.17229 3.593755 0.8993835 
6.050466 
1 1 1 1   23  33 o 65.42221 2.960524  934.7803       76.75504 902.8848       
130.9370 951.4783       94.73969 64.21408 4.856834 66.63033 3.386734 -2.416252 
5.921048 
1 1 1 1   23  34 o 19.01699 5.445639  29.95337       62.00327 119.8509       
119.2606 -3.345886      72.58392 23.56707 8.869871 14.46691 6.320230 9.100165 
10.89128 
1 1 1 1   23  35 o 73.31058 3.061571  1123.496       86.65393 1325.156       
162.4532 1043.301       102.4450 77.14801 5.015618 69.47314 3.512328 7.674873 
6.123143 
1 1 1 1   23  36 o 50.21619 3.953875  529.9958       78.56387 720.8011       
143.2368 447.8943       93.95824 55.77171 6.117325 44.66068 5.011071 11.11103 
7.907750 
1 1 1 1   23  37 o 71.76347 3.182583  1134.314       90.04230 1218.766       
158.8634 1094.343       109.2930 72.93614 5.188025 70.59081 3.687781 2.345329 
6.365165 
1 1 1 1   23  38 o 24.22885 5.822926  170.7926       75.66190 84.00212       
137.4877 208.4953       90.61789 20.65491 8.855301 27.80279 7.563695 -7.147881 
11.64585 
1 1 1 1   24  0  o 176.1307 3.599972  6415.381       252.2109 7013.864       
441.1378 6124.755       307.4081 181.9074 5.776237 170.3541 4.298173 11.55333 
7.199944 
1 1 1 1   24  1  f 58.61484 2.470455  730.0864       57.07787 704.7896       
98.73793 742.7826       69.94975 57.81006 4.068194 59.41962 2.803995 -1.609558 
4.940910 
1 1 1 1   24  2  o 46.40294 2.406895  454.7625       46.68147 437.2171       
68.55317 469.9326       63.74400 45.55799 3.584133 47.24790 3.213497 -1.689911 
4.813790 
1 1 1 1   24  3  f 10.06618 3.398690  -77.70206      39.73658 -59.83418      
59.78959 -91.83843      53.18115 11.02733 5.164307 9.105025 4.419765 1.922302 
6.797381 
1 1 1 1   24  4  o 15.90512 4.344542  34.25323       41.11331 41.86591       
60.31805 27.64747       56.18746 16.61516 6.292982 15.19507 5.991541 1.420097 
8.689084 
1 1 1 1   24  5  o 98.57530 1.925130  2037.111       79.49371 1947.924       
108.0997 2142.135       117.3060 96.23701 2.675490 100.9136 2.768800 -4.676598 
3.850259 
1 1 1 1   24  6  o 37.01606 3.139383  290.8628       48.35162 335.3411       
68.37628 246.3761       68.38276 39.87841 4.084028 34.15372 4.769026 5.724689 
6.278766 
1 1 1 1   24  7  o 80.15892 2.489246  1347.980       83.36562 1405.917       
125.2193 1301.858       111.7249 81.68950 3.651119 78.62833 3.384482 3.061165 
4.978492 
1 1 1 1   24  8  o 200.5580 9.706279  8661.710       817.2814 8661.710       
817.2814 0.000000       0.000000 200.5580 9.706279 ?        ?        ? ? 
1 1 1 1   24  9  f 257.6597 5.220525  14085.12       559.4900 14573.80       
857.3712 13722.68       738.3734 261.3067 7.815187 254.0127 6.923755 7.294067 
10.44105 
1 1 1 1   24  10 o 44.61273 3.283961  413.9812       60.96363 499.3893       
92.32504 347.9521       81.17783 48.63849 4.521271 40.58697 4.764001 8.051521 
6.567922 
1 1 1 1   24  11 o 21.74373 5.337772  88.02911       62.08838 37.67426       
93.81779 127.2698       82.81956 19.11178 7.670636 24.37568 7.424863 -5.263901 
10.67554 
1 1 1 1   24  12 o 60.67620 2.973982  796.0834       73.84550 631.4523       
108.8543 936.4435       100.5106 54.67875 4.741855 66.67365 3.590696 -11.99490 
5.947965 
1 1 1 1   24  13 o 83.48242 2.571530  1471.108       89.86208 1425.114       
131.0157 1511.967       123.4866 82.23457 3.794808 84.73028 3.471381 -2.495712 
5.143059 
1 1 1 1   24  14 o 106.5322 2.824275  2404.915       125.6109 2237.970       
183.4160 2552.372       172.3785 103.0034 4.241377 110.0611 3.730529 -7.057716 
5.648551 
1 1 1 1   24  15 o 125.2002 3.494098  3301.297       183.6619 0.000000       
0.000000 3301.297       183.6619 ?        ?        125.2002 3.494098 ? ? 
1 1 1 1   24  16 o 108.5509 3.131924  2481.873       140.4718 2513.453       
219.6368 2460.014       182.7303 109.0847 4.795814 108.0171 4.029387 1.067604 
6.263848 
1 1 1 1   24  17 o 205.4836 3.298627  8914.644       284.1918 8949.032       
413.0391 8883.727       391.6307 205.8295 4.779744 205.1377 4.547287 0.6917877 
6.597254 
1 1 1 1   24  18 o 112.4303 2.499581  2660.334       116.1510 2677.088       
181.1686 2648.642       151.3486 112.6963 3.829082 112.1643 3.213994 0.5319901 
4.999162 
1 1 1 1   24  19 o 110.8093 2.167772  2552.098       97.59114 2711.810       
161.7948 2460.759       122.3550 113.4648 3.396443 108.1537 2.694644 5.311089 
4.335543 
1 1 1 1   24  20 o 26.26843 5.146641  147.3174       58.03803 180.0256       
91.69247 125.4534       74.96700 28.51276 7.542275 24.02411 7.004695 4.488651 
10.29328 
1 1 1 1   24  21 o 111.8704 2.389673  2635.653       108.3199 2647.318       
178.4361 2628.846       136.3093 112.0057 3.794579 111.7352 2.905739 0.2705688 
4.779346 
1 1 1 1   24  22 o 107.8757 2.547990  2445.845       111.7718 2496.639       
183.2114 2415.732       141.0641 108.6944 4.014823 107.0570 3.138503 1.637428 
5.095979 
1 1 1 1   24  23 o 124.6038 2.493352  3314.642       126.8782 3112.765       
201.1255 3448.086       163.5212 121.3249 3.948556 127.8828 3.045673 -6.557854 
4.986704 
1 1 1 1   24  24 o 72.12272 2.722563  1091.834       81.67162 1162.802       
125.8305 1040.172       107.3586 74.10224 4.044600 70.14320 3.645628 3.959045 
5.445126 
1 1 1 1   24  25 o 88.78062 2.474537  1673.149       91.02620 1624.907       
139.4083 1709.002       120.1818 87.60474 3.790375 89.95650 3.182199 -2.351761 
4.949074 
1 1 1 1   24  26 o 101.4516 2.325386  2136.141       95.86134 2333.858       
159.7054 2024.786       119.8535 104.9738 3.623764 97.92934 2.915136 7.044411 
4.650773 
1 1 1 1   24  27 o 49.95518 3.518764  551.3548       70.10030 471.3008       
113.8666 600.2137       88.95627 46.76910 5.799068 53.14125 3.987180 -6.372143 
7.037528 
1 1 1 1   24  28 o 87.66560 2.716496  1654.795       95.38151 1567.498       
158.6527 1704.207       119.3610 85.64484 4.412325 89.68636 3.169984 -4.041519 
5.432993 
1 1 1 1   24  29 o 16.85761 4.960770  6.628593       56.04539 62.70888       
97.04545 -21.43585      68.65122 20.21100 7.899537 13.50422 6.002856 6.706776 
9.921540 
1 1 1 1   24  30 o 74.78644 2.822351  1207.053       85.71547 1160.250       
138.6051 1236.036       109.0733 73.40234 4.497700 76.17054 3.410771 -2.768204 
5.644702 
1 1 1 1   24  31 o 73.60183 2.905846  1155.153       86.63602 1206.242       
143.9185 1126.118       108.4969 74.64195 4.592560 72.56171 3.561483 2.080246 
5.811693 
1 1 1 1   24  32 o 38.04808 4.640708  331.0653       69.47337 328.5027       
114.3277 332.5656       87.47695 37.24007 7.575606 38.85608 5.362356 -1.616013 
9.281416 
1 1 1 1   24  33 o 41.94683 4.308102  382.1134       73.07241 450.7086       
124.5332 346.0950       90.24033 44.42624 6.676774 39.46741 5.446068 4.958828 
8.616203 
1 1 1 1   24  34 o 33.09498 5.416871  280.9098       72.18961 213.8012       
127.3752 312.6653       87.62031 28.88607 9.277393 37.30388 5.594635 -8.417810 
10.83374 
1 1 1 1   24  35 o 113.9567 3.202838  2786.039       135.9400 3056.900       
265.8558 2690.149       158.1829 116.3304 5.443446 111.5830 3.376624 4.747467 
6.405676 
1 1 1 1   24  36 o 18.76889 5.225520  50.83456       70.11985 -103.3077      
123.9872 123.3176       85.02259 15.11528 7.187348 22.42251 7.587244 -7.307225 
10.45104 
1 1 1 1   24  37 o 59.68763 3.852697  812.2687       87.82388 879.1003       
163.3067 785.0756       104.1700 60.14738 6.467084 59.22788 4.189262 0.9194946 
7.705394 
1 1 1 1   24  38 o 26.42062 7.362947  170.9420       100.7685 394.4469       
222.6790 113.3859       113.0008 31.56037 12.05085 21.28087 8.463387 10.27950 
14.72589 
1 1 1 1   25  0  o 133.5154 2.394560  3760.285       128.3474 3750.803       
215.5988 3765.490       159.7357 133.3009 3.852426 133.7299 2.845080 
-0.4289856     4.789120 
1 1 1 1   25  1  o 51.15537 2.600214  548.3907       53.10017 562.9515       
90.91833 540.8525       65.41662 51.63247 4.194204 50.67828 3.074591 0.9541969 
5.200428 
1 1 1 1   25  2  o 57.04779 2.661648  665.1614       60.89089 756.1904       
105.4592 619.6380       74.57828 59.85545 4.196639 54.24012 3.275011 5.615334 
5.323296 
1 1 1 1   25  3  o 118.5156 2.244704  2971.062       107.2560 2907.185       
177.5865 3007.743       134.5729 117.4576 3.601221 119.5736 2.680670 -2.115944 
4.489408 
1 1 1 1   25  4  o 147.7838 2.420192  4630.188       139.1986 4518.522       
247.3612 4681.937       168.3912 146.3771 4.025126 149.1906 2.688432 -2.813431 
4.840383 
1 1 1 1   25  5  o 21.40362 4.551888  96.36624       44.17224 116.0517       
66.49487 80.81803       59.09565 23.07787 6.555044 19.72937 6.317448 3.348495 
9.103777 
1 1 1 1   25  6  o 18.02717 4.685708  29.87704       51.59089 109.0030       
77.72530 -32.43891      68.97673 22.79956 7.239528 13.25478 5.950854 9.544781 
9.371415 
1 1 1 1   25  7  o 30.99572 7.081936  212.4344       90.18041 0.000000       
0.000000 212.4344       90.18041 ?        ?        30.99572 7.081936 ? ? 
1 1 1 1   25  8  o 138.0086 3.354986  4043.710       190.8829 3906.076       
296.8911 4140.695       249.2213 135.9114 5.203103 140.1059 4.236914 -4.194565 
6.709971 
1 1 1 1   25  9  o 107.1404 2.656482  2406.002       118.9786 2288.723       
159.6154 2552.646       178.4834 104.2295 3.647583 110.0512 3.862995 -5.821648 
5.312965 
1 1 1 1   25  10 o 128.4849 3.162698  3473.500       168.2178 3547.385       
261.8489 3421.580       219.5051 129.5900 4.812827 127.3797 4.104549 2.210304 
6.325396 
1 1 1 1   25  11 o 60.40176 2.994620  766.2238       75.75665 841.8954       
111.1203 700.5093       103.5518 63.17913 4.189295 57.62440 4.280281 5.554737 
5.989240 
1 1 1 1   25  12 o 94.03610 2.787076  1862.433       108.7648 1875.074       
167.2216 1853.164       143.1923 94.28299 4.224545 93.78922 3.636535 0.4937668 
5.574152 
1 1 1 1   25  13 o 115.8894 2.792457  2834.381       134.1240 2811.656       
206.4403 2850.980       176.4345 115.4468 4.259255 116.3319 3.612481 
-0.8851318     5.584915 
1 1 1 1   25  14 o 211.6981 4.212956  9431.632       365.9055 9818.154       
588.2243 9187.666       467.3262 215.0086 6.516407 208.3875 5.341577 6.621033 
8.425913 
1 1 1 1   25  15 o 242.1811 5.352053  12484.67       519.0807 12597.54       
878.1389 12424.05       643.5515 242.4455 8.627205 241.9166 6.336342 0.5288849 
10.70411 
1 1 1 1   25  16 o 106.9960 2.734831  2379.837       120.0232 2567.793       
194.5162 2264.280       152.5197 110.3183 4.199808 103.6737 3.504115 6.644585 
5.469663 
1 1 1 1   25  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   25  18 o 206.3124 4.928627  8938.116       409.4320 9560.969       
693.8250 8605.341       507.1472 211.3284 7.820114 201.2963 6.000939 10.03212 
9.857253 
1 1 1 1   25  19 o 99.87463 2.470022  2097.710       103.1172 2157.958       
154.0917 2048.848       138.7685 101.1529 3.628455 98.59632 3.352365 2.556610 
4.940044 
1 1 1 1   25  20 o 81.65900 2.486413  1408.299       82.84533 1399.408       
133.7323 1413.837       105.5344 81.40221 3.913104 81.91579 3.068652 
-0.5135880     4.972826 
1 1 1 1   25  21 o 163.6236 2.572417  5635.983       171.2427 5721.678       
279.9708 5584.761       216.4527 164.4992 4.053871 162.7480 3.167877 1.751221 
5.144834 
1 1 1 1   25  22 o 152.2641 2.609272  4916.573       157.3198 4848.261       
271.1052 4951.255       193.1704 151.2912 4.268204 153.2370 3.002604 -1.945770 
5.218543 
1 1 1 1   25  23 o 54.68979 2.849464  598.9456       63.39157 783.4516       
107.1215 499.5109       78.63938 60.79739 4.196745 48.58219 3.855530 12.21520 
5.698927 
1 1 1 1   25  24 o 98.52089 2.388143  2079.463       97.03239 1876.030       
147.4122 2234.993       128.8937 94.13669 3.729887 102.9051 2.983430 -8.768402 
4.776286 
1 1 1 1   25  25 o 88.18383 2.356025  1647.063       86.64549 1624.537       
129.7621 1665.187       116.3953 87.59860 3.528351 88.76906 3.123163 -1.170456 
4.712050 
1 1 1 1   25  26 o 31.02013 4.827349  229.3778       62.68627 130.7383       
97.37736 299.1826       81.91721 24.68437 8.119810 37.35589 5.223206 -12.67152 
9.654698 
1 1 1 1   25  27 o 88.17509 2.437091  1623.855       87.36189 1751.891       
144.9825 1550.865       109.4669 90.75787 3.804979 85.59232 3.046273 5.165543 
4.874182 
1 1 1 1   25  28 o 116.5008 2.826627  2886.109       133.2972 2940.484       
220.6513 2854.861       167.2692 117.1083 4.487866 115.8934 3.437783 1.214920 
5.653255 
1 1 1 1   25  29 o 22.65536 4.948309  118.9782       57.22554 22.36014       
98.90525 167.5993       70.16209 18.21121 7.645709 27.09950 6.283804 -8.888290 
9.896619 
1 1 1 1   25  30 o 78.76266 2.673629  1291.821       85.49385 1472.572       
143.7314 1192.855       106.3540 82.75224 4.137072 74.77309 3.387892 7.979149 
5.347258 
1 1 1 1   25  31 o 38.60757 4.364306  319.8799       68.98607 391.2450       
114.0483 278.7020       86.63185 41.74807 6.506889 35.46707 5.817996 6.281002 
8.728613 
1 1 1 1   25  32 o 46.07312 4.019421  478.3290       73.95217 451.0454       
122.9379 493.7997       92.57420 44.59140 6.566830 47.55484 4.636778 -2.963436 
8.038841 
1 1 1 1   25  33 o 21.52547 5.632415  98.38026       66.67163 81.39819       
110.2881 108.1605       83.69649 21.20436 8.383743 21.84659 7.523911 
-0.6422367     11.26483 
1 1 1 1   25  34 o 61.12605 3.386202  801.9040       83.04364 917.2449       
143.4551 743.7726       101.8427 63.93378 5.344497 58.31833 4.159544 5.615448 
6.772404 
1 1 1 1   25  35 o 15.65668 5.096160  -38.09958      70.28327 -32.26191      
131.3527 -40.44138      83.19457 17.57384 8.009212 13.73952 6.303644 3.834330 
10.19232 
1 1 1 1   25  36 o 62.40081 3.640603  864.8216       88.54748 956.7785       
160.3585 824.4840       106.2074 63.84135 5.982890 60.96026 4.149819 2.881096 
7.281207 
1 1 1 1   25  37 o 59.90249 3.772610  805.6425       86.37763 931.8004       
162.9603 756.3480       101.8647 61.82206 6.278551 57.98291 4.184511 3.839149 
7.545219 
1 1 1 1   26  0  o 68.56231 2.511569  997.5953       68.12067 978.8691       
117.4715 1007.083       83.61501 68.00249 4.114612 69.12213 2.881298 -1.119644 
5.023138 
1 1 1 1   26  1  o 28.80843 4.070656  162.5018       47.13061 265.4990       
80.87875 109.5427       57.99516 35.32715 5.453143 22.28971 6.045179 13.03744 
8.141312 
1 1 1 1   26  2  o 182.7534 3.374719  7121.523       219.3528 6991.918       
450.1650 7161.876       251.1911 181.1983 5.917505 184.3085 3.246235 -3.110214 
6.749438 
1 1 1 1   26  3  o 18.54296 4.431231  64.12110       42.88036 98.86028       
60.53402 29.13294       60.75056 21.37617 6.314251 15.70975 6.218799 5.666418 
8.862462 
1 1 1 1   26  4  o 20.06741 3.989445  72.36140       45.11017 -38.71783      
66.91564 164.8947       61.07455 12.72929 5.778555 27.40553 5.501907 -14.67624 
7.978889 
1 1 1 1   26  5  o 150.2571 2.230187  4767.955       139.8681 4625.899       
207.6122 4886.012       189.2651 148.1725 3.337384 152.3417 2.959189 -4.169235 
4.460373 
1 1 1 1   26  6  o 68.57111 2.661143  999.0102       75.74901 933.7751       
113.8220 1050.872       101.4866 66.51987 4.075640 70.62234 3.422848 -4.102463 
5.322287 
1 1 1 1   26  7  o 143.6400 6.616879  4389.711       399.0317 4389.711       
399.0317 0.000000       0.000000 143.6400 6.616879 ?        ?        ? ? 
1 1 1 1   26  8  o 67.35745 2.778329  954.5193       78.33742 856.3055       
108.1473 1062.939       113.6274 63.71172 4.043128 71.00319 3.811767 -7.291473 
5.556658 
1 1 1 1   26  9  o 100.3799 2.699425  2122.802       113.7177 2183.237       
163.6064 2066.315       158.1733 101.7598 3.829528 99.00011 3.805560 2.759644 
5.398849 
1 1 1 1   26  10 o 96.03212 2.653689  1943.686       105.4383 1945.976       
163.6591 1942.061       137.8621 96.04646 4.058634 96.01779 3.419905 
0.2866364E-01  5.307378 
1 1 1 1   26  11 o 70.65831 2.902573  1053.557       85.79946 939.9396       
119.8321 1173.073       122.9038 66.73333 4.277119 74.58330 3.925045 -7.849968 
5.805146 
1 1 1 1   26  12 o 145.2431 3.593379  4464.836       218.6739 4429.219       
318.8580 4496.462       300.4642 144.6582 5.250195 145.8280 4.907642 -1.169785 
7.186759 
1 1 1 1   26  13 o 170.4949 3.510062  6156.565       250.3619 6041.600       
367.9440 6255.684       341.6471 168.9518 5.187283 172.0381 4.730142 -3.086273 
7.020124 
1 1 1 1   26  14 o 108.6619 2.632320  2449.063       113.9868 2616.469       
197.6768 2365.671       139.5181 111.3299 4.229266 105.9938 3.135243 5.336082 
5.264640 
1 1 1 1   26  15 o 40.03453 4.572031  364.2666       71.14071 270.1085       
109.7964 432.3990       93.39759 34.86375 7.706884 45.20531 4.921157 -10.34156 
9.144061 
1 1 1 1   26  16 o 145.0433 3.044957  4491.717       181.8767 4179.485       
280.6074 4717.912       238.8371 140.5480 4.755491 149.5385 3.804255 -8.990524 
6.089914 
1 1 1 1   26  17 o 143.6926 3.505627  4318.430       203.7274 4580.462       
341.2473 4173.314       253.9498 146.8744 5.534063 140.5108 4.304863 6.363647 
7.011255 
1 1 1 1   26  18 o 144.1374 3.408157  4400.683       203.8881 4412.491       
312.9486 4391.975       268.7537 144.2044 5.169107 144.0704 4.443249 0.1339874 
6.816314 
1 1 1 1   26  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 1   26  20 o 54.74875 3.767090  621.0609       85.01262 817.6408       
131.5754 480.1864       111.3836 62.02774 5.052542 47.46975 5.588889 14.55799 
7.534179 
1 1 1 1   26  21 o 51.82246 3.173024  567.2010       67.07215 580.6104       
109.1131 559.0569       85.03508 52.24988 4.974078 51.39503 3.940924 0.8548508 
6.346048 
1 1 1 1   26  22 o 35.75446 4.253043  270.4840       61.77129 332.4941       
96.85848 227.9729       80.19691 39.41140 5.853786 32.09752 6.171443 7.313885 
8.506086 
1 1 1 1   26  23 o 111.7920 2.351934  2640.352       109.6710 2654.518       
164.9239 2629.121       146.8424 112.0173 3.506869 111.5667 3.135004 0.4505920 
4.703869 
1 1 1 1   26  24 o 41.58993 3.732226  367.9394       64.21427 383.5821       
100.5806 357.1765       83.43037 42.27004 5.667646 40.90981 4.857555 1.360229 
7.464453 
1 1 1 1   26  25 o 101.7325 2.514272  2182.800       106.3112 2275.086       
163.6754 2115.455       139.8206 103.5206 3.765977 99.94447 3.332219 3.576149 
5.028544 
1 1 1 1   26  26 o 66.11107 2.769325  923.4109       75.03841 962.3596       
120.9732 899.0532       95.66673 67.14353 4.291471 65.07861 3.501416 2.064919 
5.538650 
1 1 1 1   26  27 o 71.53163 2.734893  1098.745       78.50254 1064.157       
130.8204 1118.208       98.13541 70.47475 4.421432 72.58851 3.220171 -2.113754 
5.469787 
1 1 1 1   26  28 o 50.53027 3.249103  549.6038       68.26004 550.6787       
103.9732 548.7896       90.49306 50.48537 4.905429 50.57516 4.261858 
-0.8979797E-01 6.498206 
1 1 1 1   26  29 o 28.63397 5.495699  192.4396       66.06831 190.1576       
110.7728 193.6997       82.31125 28.36676 8.576276 28.90118 6.874468 
-0.5344143     10.99140 
1 1 1 1   26  30 o 20.99239 5.306862  86.95787       64.53666 0.4214196      
105.7214 138.3584       81.47931 17.58686 7.655791 24.39792 7.351191 -6.811058 
10.61372 
1 1 1 1   26  31 o 22.42439 5.625292  110.2923       66.01785 89.43294       
108.2833 122.6330       83.28754 21.76423 8.377597 23.08455 7.509429 -1.320318 
11.25058 
1 1 1 1   26  32 o 16.97500 5.183186  3.415442       64.96591 42.78377       
109.2765 -18.10528      80.79448 19.36345 8.077600 14.58654 6.497233 4.776914 
10.36637 
1 1 1 1   26  33 o 66.59663 3.020539  974.9684       81.04247 951.4755       
133.7952 988.5831       101.8534 65.56364 4.860697 67.62962 3.587234 -2.065971 
6.041078 
1 1 1 1   26  34 o 41.97671 4.379021  392.0311       73.43274 457.0417       
128.2046 360.2889       89.58374 43.98153 6.943113 39.97189 5.338209 4.009640 
8.758041 
1 1 1 1   26  35 o 34.39525 5.651181  301.5912       75.18449 310.9871       
137.2546 297.5634       89.86627 33.56759 9.380305 35.22290 6.305019 -1.655312 
11.30236 
1 1 1 1   26  36 o 52.26233 4.047005  631.1873       82.57510 679.0657       
147.5879 609.3699       99.62828 52.64349 6.677705 51.88116 4.573977 0.7623291 
8.094010 
1 1 1 1   26  37 o 44.50110 7.258226  583.5926       116.7933 682.0448       
248.5548 555.6950       132.3099 41.86354 12.88530 47.13867 6.685534 -5.275131 
14.51645 
1 1 1 1   27  0  o 30.05866 3.992740  229.6508       45.98533 102.4379       
74.58992 307.6474       58.40533 21.99174 7.103078 38.12558 3.648859 -16.13384 
7.985480 
1 1 1 1   27  1  o 69.12076 2.313736  989.2298       64.10027 1074.956       
110.1790 945.3679       78.81078 71.28385 3.681533 66.95767 2.803538 4.326180 
4.627473 
1 1 1 1   27  2  o 78.95178 2.390055  1324.407       78.69692 1226.476       
115.3379 1409.715       107.6481 76.17115 3.606637 81.73242 3.137136 -5.561272 
4.780110 
1 1 1 1   27  3  o 56.47253 2.192806  668.2974       51.59678 561.2126       
70.18636 794.2236       76.11092 51.56954 3.241758 61.37551 2.953744 -9.805969 
4.385612 
1 1 1 1   27  4  o 142.2751 2.195183  4269.557       131.0203 4058.056       
184.5991 4484.258       185.9902 138.7099 3.169884 145.8402 3.037621 -7.130371 
4.390366 
1 1 1 1   27  5  o 67.80526 2.616330  976.0982       73.99709 857.0620       
105.3780 1091.891       103.9324 63.67787 3.941690 71.93265 3.441485 -8.254776 
5.232661 
1 1 1 1   27  6  o 73.74181 4.790820  1152.560       148.3210 0.000000       
0.000000 1152.560       148.3210 ?        ?        73.74181 4.790820 ? ? 
1 1 1 1   27  7  o 212.4098 4.106155  9575.644       360.0699 9735.875       
564.8583 9465.968       467.3257 213.6510 6.297320 211.1686 5.271224 2.482391 
8.212310 
1 1 1 1   27  8  o 129.5144 2.932881  3534.165       158.0451 3623.558       
241.4641 3467.165       209.0441 130.8898 4.394077 128.1390 3.885774 2.750824 
5.865761 
1 1 1 1   27  9  o 83.99751 2.573120  1488.197       90.67980 1499.991       
130.8972 1477.314       125.7395 84.31046 3.698026 83.68457 3.578881 0.6258850 
5.146240 
1 1 1 1   27  10 o 176.3208 3.595695  6596.478       254.3233 6569.108       
427.5217 6611.469       316.3949 175.7816 5.793029 176.8599 4.261094 -1.078308 
7.191391 
1 1 1 1   27  11 o 27.28546 5.112349  169.4709       61.45766 107.1446       
93.62265 216.6646       81.46798 23.24321 7.961728 31.32770 6.415240 -8.084492 
10.22470 
1 1 1 1   27  12 o 75.23712 2.836860  1192.191       88.69000 1219.184       
136.1564 1172.297       116.8898 75.94398 4.270372 74.53026 3.735641 1.413719 
5.673719 
1 1 1 1   27  13 o 71.43950 2.971195  1058.112       87.77728 1196.192       
139.4267 967.4521       112.9763 75.20078 4.416157 67.67822 3.976122 7.522560 
5.942389 
1 1 1 1   27  14 o 95.16195 2.681290  1910.996       106.4517 1921.291       
159.9267 1902.806       142.6425 95.36174 3.994549 94.96216 3.577826 0.3995819 
5.362580 
1 1 1 1   27  15 o 168.2718 3.654498  6024.220       247.5127 5963.081       
412.2923 6058.670       309.4877 167.3313 5.868798 169.2122 4.356449 -1.880966 
7.308997 
1 1 1 1   27  16 o 72.63262 2.920176  1118.245       88.20438 1097.329       
133.5812 1134.415       117.4497 71.98942 4.419750 73.27583 3.817791 -1.286407 
5.840353 
1 1 1 1   27  17 o 115.8280 2.768808  2842.867       133.7573 2779.237       
199.7365 2894.603       180.1056 114.5987 4.151440 117.0573 3.664798 -2.458557 
5.537617 
1 1 1 1   27  18 o 146.1451 3.195224  4539.271       193.3400 4469.302       
297.9722 4590.148       254.0891 145.0419 4.893316 147.2482 4.110144 -2.206299 
6.390448 
1 1 1 1   27  19 o 80.85684 3.047918  1386.967       102.5503 1379.641       
155.4636 1392.610       136.4463 80.61343 4.593486 81.10024 4.007380 
-0.4868088     6.095835 
1 1 1 1   27  20 o 40.51583 4.541203  351.6869       77.05859 367.1807       
113.8277 338.5787       104.6984 41.31657 6.562131 39.71510 6.279217 1.601475 
9.082407 
1 1 1 1   27  21 o 109.8816 6.040839  2591.888       278.6770 2591.888       
278.6770 0.000000       0.000000 109.8816 6.040839 ?        ?        ? ? 
1 1 1 1   27  22 o 146.3553 3.938797  4598.063       241.2404 4485.313       
352.9875 4696.880       330.4569 144.5329 5.817194 148.1776 5.311942 -3.644684 
7.877594 
1 1 1 1   27  23 o 71.58647 2.481956  1093.698       73.53233 1032.696       
112.0982 1139.771       97.42057 69.75974 3.827497 73.41321 3.160804 -3.653465 
4.963911 
1 1 1 1   27  24 o 55.60887 2.895727  635.1544       66.40765 806.6689       
106.1641 524.9094       85.11518 61.55724 4.107898 49.66050 4.082414 11.89674 
5.791453 
1 1 1 1   27  25 o 47.63990 3.337754  482.1115       65.62017 509.8643       
103.9217 463.7086       84.62468 48.69110 5.083674 46.58869 4.326509 2.102409 
6.675509 
1 1 1 1   27  26 o 18.20492 5.233425  37.65205       61.29300 18.06670       
103.2562 48.30790       76.16312 18.42714 7.777724 17.98270 7.004423 0.4444351 
10.46685 
1 1 1 1   27  27 o 138.5176 3.028098  4083.459       164.2573 4215.623       
292.0084 4022.283       198.6683 139.6054 4.982120 137.4298 3.443252 2.175644 
6.056195 
1 1 1 1   27  28 o 26.49004 5.380305  142.2269       64.06349 253.5354       
107.5425 81.00076       79.75991 32.75822 7.899732 20.22186 7.306502 12.53636 
10.76061 
1 1 1 1   27  29 o 38.95541 4.553150  361.4092       67.96735 280.5391       
109.5993 411.9452       86.63912 34.37452 7.775381 43.53629 4.740058 -9.161762 
9.106300 
1 1 1 1   27  30 o 17.18232 4.900037  13.36906       63.57390 -127.0232      
106.2860 91.57842       79.32936 13.63365 6.530758 20.73099 7.306890 -7.097342 
9.800074 
1 1 1 1   27  31 o 91.18579 2.406266  1802.351       91.15749 1624.113       
134.3851 1954.265       124.0648 86.79110 3.688051 95.58047 3.091723 -8.789375 
4.812532 
1 1 1 1   27  32 o 54.93436 3.529958  694.3840       76.75900 573.2147       
124.3259 769.0233       97.57731 50.34713 5.881769 59.52161 3.904768 -9.174480 
7.059916 
1 1 1 1   27  33 o 78.32001 2.681993  1326.802       85.54390 1364.707       
139.6601 1304.042       108.2206 78.88816 4.216785 77.75185 3.315279 1.136307 
5.363986 
1 1 1 1   27  34 o 72.42004 2.864611  1116.092       81.41337 1257.367       
146.7241 1053.246       97.86032 75.10902 4.652972 69.73106 3.342731 5.377953 
5.729223 
1 1 1 1   27  35 o 62.24630 3.290416  843.3771       79.30996 954.6849       
146.2526 797.0098       94.39442 64.29189 5.418368 60.20071 3.734787 4.091183 
6.580832 
1 1 1 1   27  36 o 23.24044 5.310161  154.2789       66.89346 32.52049       
125.8750 202.1987       78.96725 18.46156 8.176910 28.01933 6.777121 -9.557766 
10.62032 
1 1 1 1   28  0  o 35.13065 3.187798  258.9096       46.52094 318.3201       
70.61251 213.3465       61.83823 38.65211 4.351406 31.60918 4.659774 7.042925 
6.375596 
1 1 1 1   28  1  o 29.03301 3.801951  191.0387       44.14590 141.6224       
66.13887 230.7443       59.28537 25.13040 6.279872 32.93563 4.287485 -7.805235 
7.603901 
1 1 1 1   28  2  f 124.0866 2.079566  3186.858       106.3729 2937.104       
135.9629 3580.964       170.7930 117.9889 2.744733 130.1843 3.124873 -12.19539 
4.159133 
1 1 1 1   28  3  o 34.89825 3.701356  276.9931       49.89626 209.5224       
77.78252 324.1714       65.04224 30.69112 6.253413 39.10537 3.961687 -8.414255 
7.402711 
1 1 1 1   28  4  o 65.32665 2.152383  901.1238       58.90938 977.1776       
83.97360 827.4261       82.66274 68.05389 2.939076 62.59941 3.145290 5.454487 
4.304767 
1 1 1 1   28  5  o 58.47688 3.794168  760.6765       82.95080 657.9393       
152.2351 804.0597       98.92641 55.31764 6.554994 61.63612 3.822944 -6.318481 
7.588336 
1 1 1 1   28  6  o 101.4153 4.747474  2185.515       202.1366 2185.515       
202.1366 0.000000       0.000000 101.4153 4.747474 ?        ?        ? ? 
1 1 1 1   28  7  o 151.6103 3.492090  4863.946       217.7110 5000.737       
346.6307 4774.830       279.7801 153.1787 5.390010 150.0418 4.441458 3.136902 
6.984179 
1 1 1 1   28  8  o 70.99413 2.882762  1061.155       85.43960 1119.967       
129.1169 1015.341       113.9577 72.71166 4.229608 69.27660 3.918123 3.435066 
5.765524 
1 1 1 1   28  9  o 63.79424 2.884372  865.1079       76.83486 817.8361       
112.7481 906.0966       104.9883 62.12772 4.322596 65.46075 3.820154 -3.333023 
5.768744 
1 1 1 1   28  10 o 96.59792 2.661292  1995.188       105.6299 1851.249       
163.9361 2097.370       138.1248 93.50691 4.175918 99.68891 3.300242 -6.181999 
5.322583 
1 1 1 1   28  11 o 177.2885 3.826408  6723.061       272.1392 6588.605       
455.3058 6797.793       339.4463 175.5205 6.178689 179.0565 4.515461 -3.536011 
7.652816 
1 1 1 1   28  12 o 67.59150 3.019358  975.7405       84.89401 843.3250       
121.9066 1100.419       118.2915 63.05255 4.605171 72.13046 3.906213 -9.077908 
6.038717 
1 1 1 1   28  13 o 157.9401 3.439952  5320.783       225.9497 5123.596       
340.1473 5476.505       302.2769 155.1691 5.221349 160.7112 4.480021 -5.542023 
6.879903 
1 1 1 1   28  14 o 106.2867 2.914826  2404.983       127.9780 2315.912       
197.5471 2469.402       167.9986 104.4928 4.503036 108.0806 3.702364 -3.587791 
5.829651 
1 1 1 1   28  15 o 92.92130 2.710123  1830.936       105.2558 1775.720       
154.9974 1878.190       143.3880 91.57996 4.031300 94.26264 3.623215 -2.682686 
5.420246 
1 1 1 1   28  16 o 59.05861 3.370956  727.2905       82.65153 837.9833       
129.2089 650.6281       107.5286 62.76903 4.903071 55.34820 4.627449 7.420830 
6.741913 
1 1 1 1   28  17 o 67.88123 2.930060  983.9285       82.69152 914.5584       
123.1687 1040.855       111.5758 65.63300 4.469913 70.12945 3.789577 -4.496445 
5.860121 
1 1 1 1   28  18 f 175.2505 4.032184  6576.767       283.6767 6559.264       
475.8291 6586.418       353.3346 174.5724 6.492268 175.9287 4.783773 -1.356262 
8.064367 
1 1 1 1   28  19 f 69.96084 3.119469  1020.388       90.16004 1149.052       
143.6805 936.8191       115.7956 73.48043 4.657440 66.44125 4.151217 7.039185 
6.238938 
1 1 1 1   28  20 o 35.40531 5.318108  287.7463       76.66784 231.2621       
119.8794 326.8382       99.72968 31.84265 8.716026 38.96798 6.095897 -7.125324 
10.63622 
1 1 1 1   28  21 o 23.81307 5.583327  104.5450       75.58945 -22.77785      
115.3459 200.3824       100.0729 17.93722 7.900700 29.68892 7.891333 -11.75170 
11.16665 
1 1 1 1   28  22 o 94.00224 3.168788  1888.930       124.7738 1765.433       
177.8771 2008.560       175.0700 90.90987 4.660474 97.09461 4.294748 -6.184746 
6.337577 
1 1 1 1   28  23 o 54.52031 5.793351  642.8308       132.6072 642.8308       
132.6072 0.000000       0.000000 54.52031 5.793351 ?        ?        ? ? 
1 1 1 1   28  24 o 41.45977 5.076717  410.1963       81.83861 248.4155       
121.0736 546.2975       111.0496 32.59808 8.686942 50.32147 5.256354 -17.72339 
10.15343 
1 1 1 1   28  25 o 74.27227 2.860926  1195.917       84.37498 1125.914       
142.5690 1233.653       104.6744 72.34282 4.694084 76.20172 3.271874 -3.858902 
5.721851 
1 1 1 1   28  26 o 47.47483 3.737164  524.9033       68.84137 356.3419       
107.6181 641.6487       89.56258 40.18364 6.379068 54.76602 3.895260 -14.58238 
7.474327 
1 1 1 1   28  27 f 65.53873 2.941652  945.3173       77.68908 836.6564       
124.6542 1014.330       99.34242 62.13656 4.778381 68.94089 3.432250 -6.804325 
5.883304 
1 1 1 1   28  28 o 36.03400 4.677871  292.5545       66.44286 307.9506       
111.2195 284.0104       82.85253 36.13442 7.574194 35.93357 5.491949 0.2008514 
9.355742 
1 1 1 1   28  29 o 32.10757 4.787565  249.5139       63.52016 162.0769       
94.84631 320.6269       85.53561 26.08286 7.945865 38.13229 5.342877 -12.04942 
9.575130 
1 1 1 1   28  30 o 32.50437 4.799023  234.0315       61.17886 310.5018       
104.8994 194.6134       75.31391 36.19466 7.157866 28.81408 6.394329 7.380577 
9.598046 
1 1 1 1   28  31 o 73.45308 2.983846  1150.500       89.57072 1291.626       
147.5092 1068.071       112.7338 76.69404 4.581193 70.21211 3.824399 6.481926 
5.967692 
1 1 1 1   28  32 o 54.82351 3.398020  649.6008       75.71122 735.4501       
126.6316 601.8393       94.45229 57.27451 5.266255 52.37251 4.295663 4.902000 
6.796040 
1 1 1 1   28  33 o 49.47941 3.509042  564.0684       68.98605 490.9314       
112.7833 607.7897       87.20119 46.26358 5.806662 52.69524 3.941596 -6.431660 
7.018084 
1 1 1 1   28  34 o 58.30818 3.017602  754.0236       72.21884 762.0602       
114.8270 748.7642       92.89111 58.22374 4.697481 58.39262 3.789110 
-0.1688843     6.035204 
1 1 1 1   28  35 o 20.81693 5.736097  104.1035       71.87472 67.83435       
128.2953 120.6937       86.76981 19.96622 8.556898 21.66763 7.641383 -1.701401 
11.47219 
1 1 1 1   29  0  o 98.76126 2.859014  2018.493       114.5043 1852.016       
142.0726 2327.076       193.4278 93.29068 3.627380 104.2318 4.420177 -10.94115 
5.718028 
1 1 1 1   29  1  o 50.49467 2.802307  558.1310       56.85267 485.2664       
91.41681 604.0870       72.60027 47.60996 4.573506 53.37938 3.239559 -5.769417 
5.604614 
1 1 1 1   29  2  o 74.99421 2.267672  1212.159       69.59410 1083.192       
107.8987 1304.034       91.06947 71.43195 3.597865 78.55647 2.761290 -7.124512 
4.535345 
1 1 1 1   29  3  o 55.97807 2.473686  669.3173       57.66855 607.5742       
84.39574 723.3962       78.98424 53.49590 3.757691 58.46024 3.218110 -4.964340 
4.947371 
1 1 1 1   29  4  o 50.24068 2.995635  544.2133       62.28928 458.2942       
90.45754 621.6922       85.89976 46.35034 4.648501 54.13103 3.779782 -7.780693 
5.991270 
1 1 1 1   29  5  o 72.73782 4.704698  1128.087       143.6716 0.000000       
0.000000 1128.087       143.6716 ?        ?        72.73782 4.704698 ? ? 
1 1 1 1   29  6  o 136.0054 2.872289  3910.972       163.4872 4112.123       
243.1137 3744.913       220.8920 139.1481 4.161533 132.8627 3.960027 6.285400 
5.744577 
1 1 1 1   29  7  o 182.3791 3.851415  7118.086       284.2573 7113.538       
468.4539 7120.737       357.6214 181.8682 6.135236 182.8901 4.657517 -1.021912 
7.702829 
1 1 1 1   29  8  o 24.49588 5.354154  129.3711       62.18672 90.59915       
88.81448 166.6615       87.10114 21.74038 7.724424 27.25138 7.416273 -5.511000 
10.70831 
1 1 1 1   29  9  o 66.15314 2.930909  926.3983       80.93583 797.0995       
111.6422 1069.630       117.5037 61.26468 4.340497 71.04161 3.939669 -9.776936 
5.861817 
1 1 1 1   29  10 o 59.07762 3.004013  722.3094       73.19984 839.3040       
117.6517 648.4169       93.50082 62.85083 4.458702 55.30441 4.026954 7.546417 
6.008026 
1 1 1 1   29  11 o 160.4590 4.044933  5491.590       270.7000 5338.799       
360.5652 5688.956       409.7984 158.0640 5.433401 162.8540 5.993670 -4.790024 
8.089866 
1 1 1 1   29  12 o 83.39105 2.762072  1459.079       93.85773 1531.952       
153.9800 1415.996       118.3949 84.94664 4.317568 81.83546 3.445978 3.111176 
5.524144 
1 1 1 1   29  13 o 24.22734 5.434889  125.5903       61.96531 139.8855       
91.14809 113.3061       84.49406 25.29173 7.806641 23.16295 7.563625 2.128778 
10.86978 
1 1 1 1   29  14 o 15.75260 4.912015  -32.10634      63.10243 11.70277       
98.88216 -62.20491      81.96127 18.04468 7.613501 13.46052 6.208558 4.584155 
9.824031 
1 1 1 1   29  15 o 166.4102 3.945255  5965.429       272.3529 5662.229       
412.0237 6200.714       362.9559 162.3490 6.044962 170.4714 5.071349 -8.122360 
7.890510 
1 1 1 1   29  16 o 113.3008 2.916688  2726.942       134.5111 2717.325       
218.5443 2732.808       170.6675 112.9835 4.607289 113.6180 3.577873 
-0.6344452     5.833377 
1 1 1 1   29  17 o 84.88274 2.836788  1537.051       100.5579 1417.198       
145.9079 1645.480       138.7803 81.65642 4.256078 88.10906 3.751701 -6.452644 
5.673576 
1 1 1 1   29  18 o 51.33343 3.814217  560.6764       80.21973 584.0642       
129.3989 546.0768       102.2365 52.08815 5.917153 50.57870 4.814592 1.509449 
7.628433 
1 1 1 1   29  19 f 71.00172 3.076845  1079.691       91.05634 940.2939       
129.5654 1215.729       127.9952 66.37548 4.649460 75.62796 4.031180 -9.252480 
6.153689 
1 1 1 1   29  20 o 99.30221 3.161325  2089.427       129.7922 2189.198       
203.9366 2021.501       168.2705 101.1556 4.802045 97.44881 4.112940 3.706787 
6.322651 
1 1 1 1   29  21 o 19.94662 5.658846  48.52192       72.71956 25.34759       
108.5908 67.36455       97.91741 19.25488 8.043538 20.63836 7.961888 -1.383486 
11.31769 
1 1 1 1   29  22 o 31.42164 5.841547  229.2383       77.79016 226.7927       
116.8695 231.1837       104.2351 31.21491 8.633242 31.62836 7.871582 
-0.4134445     11.68309 
1 1 1 1   29  23 o 19.65051 5.713553  38.13204       76.03190 21.66599       
110.4921 52.94117       104.7854 19.11240 8.055253 20.18861 8.105039 -1.076212 
11.42711 
1 1 1 1   29  24 o 86.61798 3.729918  1637.710       126.7702 1597.061       
220.9672 1657.653       154.7749 85.29580 6.170513 87.94016 4.192125 -2.644356 
7.459836 
1 1 1 1   29  25 o 64.68581 5.573096  914.4664       151.3507 914.4664       
151.3507 0.000000       0.000000 64.68581 5.573096 ?        ?        ? ? 
1 1 1 1   29  26 o 19.97390 5.956249  29.38167       86.15121 0.3808929E-01  
124.5364 56.31147       119.3044 18.99447 8.288611 20.95332 8.556081 -1.958849 
11.91250 
1 1 1 1   29  27 o 72.22697 2.819104  1138.666       83.77775 1031.285       
128.1873 1218.731       110.6887 69.00288 4.424853 75.45107 3.494291 -6.448196 
5.638208 
1 1 1 1   29  28 o 21.74936 5.642988  86.93682       66.66585 145.1840       
109.1176 52.24656       84.20956 25.05900 8.594687 18.43971 7.314682 6.619289 
11.28598 
1 1 1 1   29  29 o 45.64118 4.225086  501.7728       72.45554 363.9434       
115.5966 590.9628       92.98911 39.15120 7.304381 52.13116 4.248697 -12.97996 
8.450172 
1 1 1 1   29  30 o 17.37794 5.226553  6.597615       64.97593 72.91344       
109.1299 -29.82233      80.87322 20.67867 8.283985 14.07720 6.375187 6.601472 
10.45311 
1 1 1 1   29  31 o 42.29647 4.226588  409.6844       71.74620 401.4924       
119.0558 414.3559       89.90490 41.43757 6.843486 43.15538 4.962145 -1.717812 
8.453176 
1 1 1 1   29  32 o 21.66890 5.130757  102.9326       63.29632 3.490230       
96.01089 179.3781       84.18034 16.46671 7.230782 26.87110 7.281105 -10.40439 
10.26151 
1 1 1 1   29  33 o 61.68697 3.200668  857.6072       80.66487 808.9510       
127.2250 890.3156       104.3117 59.73743 5.072792 63.63652 3.904342 -3.899097 
6.401336 
1 1 1 1   29  34 o 28.71492 5.415492  235.6016       71.01713 135.9552       
116.4853 294.5501       89.59359 22.89541 8.723596 34.53444 6.419430 -11.63903 
10.83098 
1 1 1 1   29  35 o 28.82163 5.930915  216.7560       70.62902 297.3882       
132.0279 184.4299       83.59647 31.37997 9.338088 26.26330 7.314583 5.116665 
11.86183 
1 1 1 1   30  0  o 32.25301 4.498764  241.6393       59.02533 310.1436       
81.53516 166.2068       85.55897 37.77522 5.141135 26.73079 7.384053 11.04443 
8.997528 
1 1 1 1   30  1  o 30.91805 4.669221  219.3950       59.67871 253.9863       
80.97686 178.2699       88.29395 34.11838 5.653190 27.71772 7.432896 6.400663 
9.338442 
1 1 1 1   30  2  o 68.89796 2.905137  1010.197       83.21799 829.6146       
113.5167 1219.997       122.3558 62.19893 4.347081 75.59701 3.855149 -13.39808 
5.810274 
1 1 1 1   30  3  o 74.65212 2.475883  1169.501       74.36862 1239.162       
125.9946 1132.255       92.12944 76.20923 3.937907 73.09502 3.002145 3.114212 
4.951766 
1 1 1 1   30  4  o 21.56805 5.523304  90.49433       63.63597 69.23770       
105.7569 102.5587       79.67365 21.15811 8.251234 21.97798 7.344703 
-0.8198681     11.04661 
1 1 1 1   30  5  o 51.16120 5.905315  567.1865       126.8419 567.1865       
126.8419 0.000000       0.000000 51.16120 5.905315 ?        ?        ? ? 
1 1 1 1   30  6  o 17.65163 5.027562  28.09527       57.53724 64.60139       
88.57195 1.442729       75.68026 19.92353 7.602340 15.37972 6.581028 4.543813 
10.05512 
1 1 1 1   30  7  o 102.6341 2.795956  2237.504       120.3527 2295.465       
174.9909 2185.478       165.7904 103.8741 4.012631 101.3940 3.894646 2.480087 
5.591912 
1 1 1 1   30  8  o 68.98398 2.893072  1010.326       83.69691 1059.842       
121.8687 966.1215       115.1477 70.57556 4.113000 67.39239 4.069730 3.183174 
5.786145 
1 1 1 1   30  9  o 87.77397 2.811912  1628.205       103.1058 1725.114       
155.2933 1551.808       137.8818 90.06087 4.107123 85.48708 3.841737 4.573792 
5.623825 
1 1 1 1   30  10 o 104.0105 2.509647  2275.556       106.5605 2366.462       
173.6211 2220.618       134.9724 105.5555 3.917802 102.4654 3.137537 3.090141 
5.019294 
1 1 1 1   30  11 o 89.90125 2.637360  1721.443       97.90463 1674.684       
151.7558 1754.779       128.1375 88.76093 4.072345 91.04156 3.352413 -2.280632 
5.274719 
1 1 1 1   30  12 o 47.63057 3.322998  486.0054       66.19237 449.6901       
95.22445 519.9584       92.07524 45.86026 4.945760 49.40087 4.439452 -3.540611 
6.645997 
1 1 1 1   30  13 o 43.89389 3.868658  410.9761       70.98963 443.0164       
106.5616 385.4106       95.18749 45.40018 5.590673 42.38760 5.348871 3.012581 
7.737315 
1 1 1 1   30  14 o 140.2851 3.387683  4241.240       193.2425 4050.426       
310.9728 4361.276       246.6453 137.3644 5.392242 143.2059 4.102353 -5.841537 
6.775366 
1 1 1 1   30  15 o 68.57364 3.030256  995.8768       86.63059 1048.199       
131.7859 956.0630       114.9590 70.10526 4.477539 67.04202 4.084294 3.063240 
6.060513 
1 1 1 1   30  16 o 42.80750 4.441317  422.1945       73.09328 270.6273       
106.1600 558.8107       100.7881 34.48290 7.540428 51.13211 4.695011 -16.64920 
8.882633 
1 1 1 1   30  17 o 61.78426 3.119312  832.0991       78.82156 719.2769       
120.8025 915.7403       104.0132 57.92249 4.967636 65.64604 3.773993 -7.723557 
6.238624 
1 1 1 1   30  18 o 27.26724 5.591814  164.0737       69.14597 222.2364       
102.6386 115.7405       93.56446 31.08565 7.856449 23.44882 7.959254 7.636829 
11.18363 
1 1 1 1   30  19 o 116.3830 3.178316  2892.004       153.3002 2941.051       
237.2989 2856.874       200.8337 117.0565 4.828601 115.7095 4.134173 1.347000 
6.356632 
1 1 1 1   30  20 o 57.92952 3.398236  730.6227       80.72874 671.6350       
125.4314 772.3364       105.4788 55.74264 5.359693 60.11641 4.179202 -4.373764 
6.796472 
1 1 1 1   30  21 o 55.27727 3.752951  669.8596       85.01382 617.9926       
132.4172 706.2294       110.8839 53.22631 5.925694 57.32824 4.607030 -4.101929 
7.505902 
1 1 1 1   30  22 o 60.90118 3.603150  809.5180       90.60497 641.9700       
127.4781 980.5636       128.8017 54.28937 5.592960 67.51299 4.544179 -13.22363 
7.206301 
1 1 1 1   30  23 o 110.3063 3.266862  2630.766       150.5372 2562.251       
222.4848 2688.619       204.4413 108.8130 4.870132 111.7997 4.355612 -2.986702 
6.533723 
1 1 1 1   30  24 o 24.93515 6.305144  122.7529       86.55999 196.9104       
127.4607 59.27775       117.9235 28.83018 9.282622 21.04013 8.535355 7.790045 
12.61029 
1 1 1 1   30  25 o 19.06118 5.738269  0.3223305      84.10588 81.01996       
121.7835 -73.26392      116.2937 22.17240 8.796130 15.94997 7.371502 6.222434 
11.47654 
1 1 1 1   30  26 o 44.50882 6.739620  447.9109       125.9391 0.000000       
0.000000 447.9109       125.9391 ?        ?        44.50882 6.739620 ? ? 
1 1 1 1   30  27 o 57.71390 6.404182  752.3911       155.1755 752.3911       
155.1755 0.000000       0.000000 57.71390 6.404182 ?        ?        ? ? 
1 1 1 1   30  28 o 56.49059 4.366451  724.1784       103.0261 689.4424       
150.8579 754.5401       141.0391 54.97193 6.536543 58.00925 5.791129 -3.037323 
8.732902 
1 1 1 1   30  29 o 68.17499 3.021351  1031.382       84.51224 920.8939       
129.5479 1113.240       111.5075 64.61344 4.775605 71.73653 3.702411 -7.123093 
6.042702 
1 1 1 1   30  30 o 22.15884 5.265437  58.68734       69.96892 237.5736       
110.1231 -62.41770      90.60893 30.55243 8.349826 13.76526 6.417142 16.78716 
10.53087 
1 1 1 1   30  31 f 30.41111 5.426653  244.7458       70.73320 170.2366       
113.9107 291.5047       90.23845 25.82216 8.782115 35.00007 6.377202 -9.177910 
10.85331 
1 1 1 1   30  32 o 46.76620 4.217913  526.7959       77.61465 440.8497       
126.6813 578.4456       98.20493 42.66539 7.072253 50.86701 4.598520 -8.201626 
8.435825 
1 1 1 1   30  33 o 19.11388 5.538795  66.95953       68.30112 81.31544       
115.5716 59.25441       84.66920 20.27761 8.373228 17.95014 7.252728 2.327475 
11.07759 
1 1 1 1   30  34 o 18.92479 5.474597  72.51631       69.86903 30.03533       
117.3421 95.85007       86.96591 17.94770 7.929025 19.90187 7.550855 -1.954174 
10.94919 
1 1 1 1   31  0  o 36.12241 4.179281  290.4823       61.63988 250.2589       
83.04794 339.8217       91.97843 33.02312 6.218125 39.22169 5.585740 -6.198570 
8.358562 
1 1 1 1   31  1  o 69.58650 3.008012  1032.272       87.31338 900.5600       
116.5891 1200.483       131.7570 64.57327 4.300572 74.59973 4.206854 -10.02646 
6.016024 
1 1 1 1   31  2  o 76.31361 2.892529  1252.469       92.61800 1199.690       
130.6548 1305.780       131.3109 74.66261 4.168148 77.96461 4.011664 -3.301994 
5.785059 
1 1 1 1   31  3  o 81.24268 3.360728  1445.062       112.5289 1320.483       
171.7363 1538.792       148.9624 77.86965 5.253092 84.61572 4.193210 -6.746063 
6.721457 
1 1 1 1   31  4  o 26.46439 7.991027  161.8837       96.21085 0.000000       
0.000000 161.8837       96.21085 ?        ?        26.46439 7.991027 ? ? 
1 1 1 1   31  5  o 38.18858 3.883577  318.7557       61.84400 300.6701       
91.20028 334.1518       84.14622 37.08921 5.856925 39.28795 5.101482 -2.198738 
7.767154 
1 1 1 1   31  6  o 36.92648 4.116963  297.3958       63.46777 296.6430       
94.74291 298.0086       85.48352 36.80915 6.130727 37.04381 5.496520 
-0.2346573     8.233926 
1 1 1 1   31  7  o 90.98932 2.641582  1764.354       100.9060 1785.863       
143.1090 1743.088       142.2998 91.54526 3.723507 90.43338 3.747975 1.111877 
5.283164 
1 1 1 1   31  8  o 74.47147 2.650924  1195.410       81.41792 1094.434       
124.2515 1271.390       107.7816 71.56508 4.135439 77.37785 3.317790 -5.812767 
5.301847 
1 1 1 1   31  9  o 34.64859 4.806211  275.0093       67.99532 385.5558       
96.86389 167.6190       95.47105 42.21880 5.464835 27.07837 7.907858 15.14043 
9.612422 
1 1 1 1   31  10 f 151.2357 3.134500  4896.757       192.5409 4888.628       
314.4523 4901.633       243.5312 150.7637 4.967970 151.7077 3.823563 
-0.9439545     6.269000 
1 1 1 1   31  11 o 32.48221 4.909351  234.1294       64.55721 289.2958       
99.96510 194.6619       84.55331 35.76240 6.904408 29.20202 6.981123 6.560381 
9.818703 
1 1 1 1   31  12 o 102.4270 2.637533  2235.291       112.5386 2207.617       
169.4469 2257.131       150.5338 101.7692 3.965870 103.0848 3.478247 -1.315659 
5.275067 
1 1 1 1   31  13 o 22.79834 5.546666  108.4411       64.51446 91.13539       
96.00975 122.6878       87.11227 21.90573 8.006293 23.69094 7.678625 -1.785212 
11.09333 
1 1 1 1   31  14 o 86.20873 2.860823  1586.029       102.0521 1582.200       
158.1033 1588.764       133.6147 86.00117 4.378826 86.41630 3.682813 
-0.4151306     5.721646 
1 1 1 1   31  15 o 56.18439 3.245137  675.9975       76.44054 627.8868       
106.2624 727.5928       110.0432 54.09192 4.679164 58.27686 4.497676 -4.184937 
6.490274 
1 1 1 1   31  16 o 49.46535 3.943619  526.7429       81.47522 565.4218       
123.0048 496.5076       108.7535 51.02530 5.741925 47.90540 5.407294 3.119892 
7.887239 
1 1 1 1   31  17 f 48.61496 3.959759  512.8533       79.19566 654.2028       
115.6995 388.2420       108.6333 55.07999 5.003325 42.14994 6.138852 12.93005 
7.919518 
1 1 1 1   31  18 o 130.4275 3.152169  3669.475       167.3675 3575.696       
269.9717 3728.018       213.3034 128.6976 4.996534 132.1574 3.844389 -3.459778 
6.304338 
1 1 1 1   31  19 f 86.23857 2.875557  1562.869       101.9480 1733.457       
164.7864 1457.089       129.7621 89.85209 4.368318 82.62505 3.740738 7.227043 
5.751115 
1 1 1 1   31  20 o 61.46764 3.356176  819.8875       86.12847 753.5143       
124.8456 880.1647       118.9745 58.97198 5.042531 63.96329 4.430413 -4.991314 
6.712352 
1 1 1 1   31  21 o 82.39300 3.145380  1486.275       106.7531 1303.762       
160.7277 1630.345       142.8007 77.54626 4.936862 87.23973 3.898854 -9.693466 
6.290761 
1 1 1 1   31  22 o 68.67628 3.309479  1028.372       94.47166 959.8898       
140.8636 1084.354       127.3607 66.40999 5.052269 70.94259 4.276117 -4.532600 
6.618958 
1 1 1 1   31  23 o 63.61066 3.462950  889.1498       91.45499 804.5161       
135.2945 960.3607       124.1028 60.59246 5.318420 66.62885 4.436497 -6.036388 
6.925900 
1 1 1 1   31  24 o 35.53447 5.844161  310.1243       86.98872 224.1533       
125.3793 389.9170       120.7902 30.22889 9.121190 40.84006 7.308950 -10.61118 
11.68832 
1 1 1 1   31  25 o 20.05400 5.939710  41.85627       84.07998 44.88821       
120.4054 38.97069       117.4633 20.26657 8.468221 19.84144 8.331258 0.4251251 
11.87942 
1 1 1 1   31  26 o 87.45193 3.339535  1673.114       122.1540 1698.831       
181.2299 1651.704       165.3621 87.92000 4.909793 86.98387 4.528125 0.9361267 
6.679070 
1 1 1 1   31  27 o 31.12825 6.086714  238.4180       89.04124 364.5230       
128.3787 121.5196       123.6036 38.48759 8.189769 23.76890 9.006666 14.71870 
12.17343 
1 1 1 1   31  28 o 33.77061 8.736054  290.9989       124.7654 0.000000       
0.000000 290.9989       124.7654 ?        ?        33.77061 8.736054 ? ? 
1 1 1 1   31  29 o 65.18385 5.439589  958.0135       148.8624 958.0135       
148.8624 0.000000       0.000000 65.18385 5.439589 ?        ?        ? ? 
1 1 1 1   31  30 o 30.98732 6.571135  258.8067       92.21629 257.0299       
130.1439 260.5983       130.6849 30.88378 9.287676 31.09085 9.298296 
-0.2070713     13.14227 
1 1 1 1   31  31 o 15.38328 4.900158  -39.60821      71.85809 -148.6273      
112.2702 36.04406       93.52424 13.24006 6.425349 17.52649 7.400074 -4.286436 
9.800317 
1 1 1 1   31  32 f 26.71813 5.963487  191.6572       74.39626 236.1394       
114.9191 159.5647       97.61138 29.02762 8.727138 24.40864 8.129561 4.618984 
11.92697 
1 1 1 1   31  33 o 24.60386 5.855458  170.2083       71.86520 154.8316       
109.4834 181.8492       95.26006 23.58851 8.556646 25.61921 7.995584 -2.030703 
11.71092 
1 1 1 1   32  0  o 45.99352 3.659301  470.6852       69.92542 486.9555       
93.59267 450.1287       105.2011 47.09314 4.733749 44.89390 5.581538 2.199242 
7.318603 
1 1 1 1   32  1  o 47.31198 3.501020  491.8065       69.44654 488.3178       
95.62849 495.6994       101.0174 47.18716 4.827080 47.43679 5.072265 
-0.2496338     7.002041 
1 1 1 1   32  2  o 37.36608 4.696436  321.1035       71.86772 338.7876       
99.98245 302.1989       103.3751 38.88177 6.124897 35.85039 7.121214 3.031384 
9.392873 
1 1 1 1   32  3  o 67.18526 3.364556  985.1503       94.50555 968.7054       
139.4120 999.1321       128.5499 66.54176 4.990304 67.82875 4.514180 -1.286987 
6.729112 
1 1 1 1   32  4  o 29.11798 8.396456  204.0940       108.3011 204.0940       
108.3011 0.000000       0.000000 29.11798 8.396456 ?        ?        ? ? 
1 1 1 1   32  5  o 37.83639 5.201864  325.6039       77.93772 373.7130       
126.8168 296.4051       98.79757 39.82590 7.864528 35.84687 6.810784 3.979027 
10.40373 
1 1 1 1   32  6  o 38.40479 4.523605  332.7130       71.09286 305.0366       
100.9422 359.9532       100.1435 36.40814 6.855266 40.40144 5.904010 -3.993298 
9.047210 
1 1 1 1   32  7  o 38.43453 4.274150  339.8047       64.09800 218.6764       
90.42773 462.1218       90.87041 30.64820 7.151560 46.22086 4.682800 -15.57266 
8.548300 
1 1 1 1   32  8  o 25.05925 4.521112  147.4821       57.85710 11.17932       
91.50443 238.2701       74.67996 17.06269 7.266686 33.05580 5.381180 -15.99311 
9.042224 
1 1 1 1   32  9  o 63.79911 2.981239  848.3010       78.65269 1048.612       
124.6141 715.6619       101.4030 69.86266 4.248575 57.73556 4.183392 12.12710 
5.962479 
1 1 1 1   32  10 o 81.20514 2.729448  1407.835       92.96503 1485.402       
134.8591 1337.597       128.3286 83.33458 3.854572 79.07570 3.865463 4.258881 
5.458895 
1 1 1 1   32  11 o 36.28555 4.772211  279.3994       69.58547 471.4717       
111.6818 157.5177       88.96499 46.44577 5.727399 26.12533 7.634979 20.32044 
9.544422 
1 1 1 1   32  12 o 56.05422 3.203521  672.7462       74.46397 699.7801       
115.5730 653.5583       97.36769 56.91410 4.836796 55.19435 4.201857 1.719746 
6.407043 
1 1 1 1   32  13 o 44.17083 3.798413  406.8394       68.85082 550.0095       
110.0078 314.6423       88.27872 50.34444 5.204666 37.99721 5.533824 12.34723 
7.596826 
1 1 1 1   32  14 o 57.91998 3.132545  723.1611       75.99221 686.4435       
109.2958 757.5226       105.7312 56.43487 4.612933 59.40508 4.239364 -2.970211 
6.265090 
1 1 1 1   32  15 o 66.90205 3.111416  969.7990       85.98841 919.3726       
131.9501 1007.022       113.3665 65.21824 4.819052 68.58585 3.937053 -3.367615 
6.222833 
1 1 1 1   32  16 o 65.35909 3.168734  907.7843       85.83986 996.6804       
134.7026 846.9999       111.3859 67.92407 4.723601 62.79410 4.225054 5.129971 
6.337467 
1 1 1 1   32  17 o 45.07272 4.286767  449.4003       80.72509 417.9567       
116.9987 477.9695       111.5230 43.43401 6.416118 46.71142 5.686730 -3.277409 
8.573533 
1 1 1 1   32  18 o 73.23453 3.170662  1156.229       97.42848 1210.391       
140.2824 1105.759       135.4158 74.89973 4.461122 71.56933 4.506749 3.330399 
6.341324 
1 1 1 1   32  19 o 21.74088 6.013712  79.04630       78.57935 90.27944       
122.5322 71.19949       102.4110 22.73421 8.878351 20.74754 8.113804 1.986668 
12.02742 
1 1 1 1   32  20 o 28.84016 5.818363  202.4729       74.77950 160.5419       
117.5974 230.9386       96.89269 26.39496 8.923101 31.28535 7.469382 -4.890390 
11.63673 
1 1 1 1   32  21 f 25.88015 5.987886  143.5512       74.91532 218.5775       
120.5382 96.33087       95.62737 29.97683 8.922922 21.78346 7.987527 8.193367 
11.97577 
1 1 1 1   32  22 o 39.34728 5.121753  362.6367       80.88407 338.9340       
126.0128 379.2446       105.4810 37.47805 8.232362 41.21651 6.095707 -3.738457 
10.24351 
1 1 1 1   32  23 o 102.3313 3.411323  2264.186       142.5239 2178.332       
180.2204 2407.528       232.8691 100.2115 4.283586 104.4511 5.310310 -4.239624 
6.822646 
1 1 1 1   32  24 o 31.83858 6.415357  246.3132       89.14454 200.3071       
115.1302 315.1874       140.8671 28.47076 8.770882 35.20639 9.364767 -6.735630 
12.83071 
1 1 1 1   32  25 o 33.10859 6.157529  280.0744       89.68718 356.2086       
123.5955 195.3949       130.3473 38.23059 7.962811 27.98659 9.394375 10.24400 
12.31506 
1 1 1 1   32  26 o 28.76336 6.289793  202.2265       88.48061 299.4017       
128.8168 115.4299       121.7435 34.24257 8.885485 23.28416 8.904727 10.95840 
12.57959 
1 1 1 1   32  27 o 21.50580 6.189536  79.51480       87.88078 75.07593       
126.4698 83.65929       122.2043 21.40555 8.786388 21.60605 8.720137 
-0.2005062     12.37907 
1 1 1 1   32  28 o 46.58326 4.887152  509.4568       95.34167 556.0190       
140.5337 469.7511       129.7750 48.55899 6.893374 44.60753 6.929532 3.951462 
9.774304 
1 1 1 1   32  29 f 18.76095 5.790541  23.43038       85.91511 12.34625       
129.4430 32.15831       114.8639 18.80297 8.314652 18.71894 8.061515 
0.8402634E-01  11.58108 
1 1 1 1   32  30 o 17.91284 7.903745  14.54439       116.1019 0.000000       
0.000000 14.54439       116.1019 ?        ?        17.91284 7.903745 ? ? 
1 1 1 1   32  31 o 33.44988 9.436492  326.9291       138.2608 326.9291       
138.2608 0.000000       0.000000 33.44988 9.436492 ?        ?        ? ? 
1 1 1 1   32  32 o 20.24751 5.836283  81.81778       82.41638 148.0869       
114.1553 9.669592       119.1114 23.16947 8.686265 17.32555 7.797280 5.843918 
11.67257 
1 1 1 1   33  0  o 26.01627 5.093817  159.1833       65.54988 50.82263       
92.00318 270.8976       93.41602 18.47893 7.524317 33.55361 6.868226 -15.07468 
10.18763 
1 1 1 1   33  1  o 56.24981 3.384076  699.4186       79.90051 680.0090       
112.1926 719.3946       113.8177 55.43747 4.820386 57.06216 4.750975 -1.624695 
6.768152 
1 1 1 1   33  2  o 30.93502 5.141885  229.2245       67.28395 151.5009       
91.71793 319.7934       99.00735 25.00208 7.854042 36.86795 6.638522 -11.86587 
10.28377 
1 1 1 1   33  3  o 40.57147 4.773882  384.7127       77.96609 365.3321       
119.6046 399.0334       102.8122 38.99118 7.576790 42.15176 5.809651 -3.160583 
9.547764 
1 1 1 1   33  4  o 27.91643 8.896814  192.2617       117.3054 192.2617       
117.3054 0.000000       0.000000 27.91643 8.896814 ?        ?        ? ? 
1 1 1 1   33  5  o 38.48388 5.242834  349.5774       81.40204 369.9362       
121.3373 332.9152       109.7697 39.41195 7.604498 37.55580 7.219477 1.856148 
10.48567 
1 1 1 1   33  6  o 22.57768 5.524210  103.6595       68.13937 37.06960       
95.86193 171.6619       96.87328 18.39980 7.613532 26.75555 8.006356 -8.355751 
11.04842 
1 1 1 1   33  7  o 18.01950 5.126758  -22.04872      70.45877 -148.8012      
95.94930 126.2964       103.8007 12.22229 5.934109 23.81670 8.361874 -11.59441 
10.25352 
1 1 1 1   33  8  o 36.82115 4.974800  315.3303       73.77956 308.9826       
99.50262 323.0822       109.9594 36.53921 6.739273 37.10308 7.319612 
-0.5638733     9.949599 
1 1 1 1   33  9  o 59.89570 3.216088  780.2224       79.28840 768.3638       
124.3683 788.3427       102.9150 59.31091 4.994548 60.48049 4.053071 -1.169579 
6.432177 
1 1 1 1   33  10 o 88.49861 3.021747  1701.861       111.3111 1598.375       
165.3675 1787.591       150.5142 85.83254 4.589012 91.16468 3.932529 -5.332138 
6.043494 
1 1 1 1   33  11 o 47.90009 3.835584  525.6238       73.41358 381.6675       
110.2284 640.3834       98.41759 41.35320 6.349000 54.44698 4.305465 -13.09378 
7.671168 
1 1 1 1   33  12 o 21.33601 5.142361  47.09519       66.04376 201.3525       
102.6262 -61.94810      86.28492 29.02531 8.111209 13.64672 6.323273 15.37859 
10.28472 
1 1 1 1   33  13 o 53.70925 3.538025  645.2528       77.49586 525.5494       
116.4088 740.5283       103.8540 48.82898 5.678442 58.58952 4.222060 -9.760532 
7.076051 
1 1 1 1   33  14 o 33.54733 5.053331  240.3656       71.35076 413.0465       
115.0069 132.3096       90.97585 43.01923 6.367698 24.07543 7.848379 18.94380 
10.10666 
1 1 1 1   33  15 o 31.96539 5.424049  240.9059       71.62083 260.4815       
107.8995 225.4878       95.75829 33.05177 7.876585 30.87900 7.459267 2.172770 
10.84810 
1 1 1 1   33  16 o 61.34081 3.294595  773.5311       82.07956 1000.467       
139.4505 653.2357       101.5296 67.74382 4.903110 54.93779 4.401925 12.80603 
6.589190 
1 1 1 1   33  17 o 71.99299 3.139797  1124.730       94.73172 1089.471       
136.6586 1157.346       131.4357 70.82491 4.595916 73.16107 4.279120 -2.336166 
6.279595 
1 1 1 1   33  18 o 44.61802 4.257333  441.5552       78.84609 456.5483       
121.6381 430.6906       103.5448 45.08936 6.425644 44.14668 5.586649 0.9426842 
8.514667 
1 1 1 1   33  19 o 25.56087 6.158602  151.7743       79.36964 142.5253       
112.7835 160.8490       111.7154 25.00230 8.722060 26.11944 8.697079 -1.117140 
12.31720 
1 1 1 1   33  20 o 27.24164 6.043098  179.1897       76.62344 182.4351       
114.0937 176.5233       103.4153 27.43923 8.777158 27.04405 8.308890 0.3951778 
12.08620 
1 1 1 1   33  21 o 50.69779 3.842704  572.3024       81.08235 548.2682       
121.1763 591.7872       109.1066 49.52718 5.827672 51.86840 5.010363 -2.341221 
7.685408 
1 1 1 1   33  22 o 45.07009 4.297088  453.3319       80.82112 527.2141       
120.7676 393.4019       108.7684 48.43225 5.939323 41.70792 6.211627 6.724331 
8.594176 
1 1 1 1   33  23 o 35.90475 5.930049  334.8110       96.87706 488.4407       
131.3355 151.4607       143.4780 46.04389 6.794089 25.76562 9.721230 20.27828 
11.86010 
1 1 1 1   33  24 o 26.77261 6.398912  174.2352       96.12777 267.3506       
124.5322 36.95423       151.2084 32.31940 8.899961 21.22583 9.196466 11.09357 
12.79782 
1 1 1 1   33  25 o 75.35577 3.820716  1229.853       117.1826 1101.820       
145.9260 1462.327       196.6343 70.43638 4.934655 80.27516 5.834439 -9.838783 
7.641433 
1 1 1 1   33  26 o 30.56358 6.637150  237.3190       93.18362 179.6633       
120.3369 323.6683       147.2676 26.53842 9.026438 34.58875 9.732958 -8.050331 
13.27430 
1 1 1 1   33  27 o 35.77115 5.244930  305.2115       92.02614 628.1553       
136.9485 39.32303       124.2635 51.97343 6.276202 19.56886 8.405145 32.40457 
10.48986 
1 1 1 1   33  28 o 22.10830 6.223383  104.3684       85.88620 113.8152       
130.3868 97.12808       114.1493 22.73856 9.076070 21.47804 8.517448 1.260519 
12.44677 
1 1 1 1   33  29 o 25.02963 5.966270  120.9679       88.47381 317.9724       
134.7675 -28.24593      117.2875 33.59753 9.261374 16.46174 7.524128 17.13579 
11.93254 
1 1 1 1   33  30 o 35.38640 5.776073  322.6367       92.32513 556.3005       
143.7976 158.7594       120.4246 46.78249 7.321318 23.99030 8.935905 22.79218 
11.55215 
1 1 1 1   33  31 o 26.74191 6.027153  167.8036       90.49605 383.9978       
139.8167 11.93581       118.7176 36.13226 9.192205 17.35157 7.798052 18.78068 
12.05431 
1 1 1 1   34  0  o 49.23350 3.790070  549.0955       77.94740 603.2361       
117.6673 506.7586       104.0525 51.29927 5.463432 47.16772 5.254468 4.131550 
7.580140 
1 1 1 1   34  1  o 36.45581 5.068766  320.4431       75.74035 420.0164       
112.5936 238.1441       102.3620 42.39550 6.325791 30.51612 7.921738 11.87938 
10.13753 
1 1 1 1   34  2  o 22.95620 5.951034  121.0067       75.67708 149.8755       
109.9605 95.02871       104.3100 24.60740 8.609546 21.30500 8.217965 3.302402 
11.90207 
1 1 1 1   34  3  o 65.23392 4.371211  935.9963       119.7166 0.000000       
0.000000 935.9963       119.7166 ?        ?        65.23392 4.371211 ? ? 
1 1 1 1   34  4  o 33.13197 5.659631  268.6676       76.36880 301.9304       
123.3040 247.9675       97.27123 34.43857 8.555526 31.82537 7.411389 2.613199 
11.31926 
1 1 1 1   34  5  o 40.76511 5.340975  403.3264       87.92030 364.3214       
133.0934 433.5260       117.1106 38.07018 8.538625 43.46003 6.418407 -5.389854 
10.68195 
1 1 1 1   34  6  o 28.22975 5.229173  119.8412       81.29527 419.5609       
131.9410 -63.57699      103.2151 41.55157 7.849699 14.90793 6.910805 26.64364 
10.45835 
1 1 1 1   34  7  o 17.40670 5.245996  10.88336       69.58493 -38.12850      
99.34171 58.09483       97.50005 15.42758 7.013381 19.38582 7.803484 -3.958234 
10.49199 
1 1 1 1   34  8  o 18.15301 5.180180  6.824907       70.33789 -109.6802      
101.1274 116.0054       97.89687 13.51480 6.448891 22.79121 8.108567 -9.276410 
10.36036 
1 1 1 1   34  9  o 54.20641 3.810684  652.2942       86.67912 650.6929       
120.6621 654.0017       124.5982 54.18382 5.304230 54.22900 5.472695 
-0.4517365E-01 7.621367 
1 1 1 1   34  10 o 21.42319 5.854221  62.55385       82.50719 -39.11384      
117.9005 160.1271       115.5020 16.90650 7.673631 25.93988 8.843246 -9.033379 
11.70844 
1 1 1 1   34  11 o 30.21821 5.463678  216.1713       69.71339 271.8517       
106.1737 173.9745       92.42852 33.57742 7.692848 26.85901 7.760619 6.718403 
10.92736 
1 1 1 1   34  12 o 28.27055 5.708231  187.4688       72.43087 259.2123       
110.0670 132.6705       96.19432 32.59227 8.074978 23.94884 8.070336 8.643433 
11.41646 
1 1 1 1   34  13 f 20.92844 5.528577  78.84655       67.03624 131.8161       
99.61644 35.00566       90.62701 23.96150 8.212596 17.89537 7.403643 6.066133 
11.05715 
1 1 1 1   34  14 o 76.71534 2.849357  1262.071       90.86589 1351.294       
140.4016 1197.766       119.1946 78.90671 4.238179 74.52397 3.809618 4.382736 
5.698715 
1 1 1 1   34  15 o 116.4922 3.314564  2964.191       159.5427 2988.004       
248.7131 2947.540       207.9691 116.4748 5.086133 116.5096 4.251656 
-0.3481293E-01 6.629127 
1 1 1 1   34  16 o 36.30962 5.101726  311.9262       74.96808 325.1990       
108.5567 299.8250       103.6548 37.05424 7.236282 35.56499 7.193515 1.489243 
10.20345 
1 1 1 1   34  17 o 40.07115 5.014300  377.1780       81.36687 355.1768       
122.5023 394.5470       108.8449 38.33935 7.880974 41.80295 6.201862 -3.463604 
10.02860 
1 1 1 1   34  18 o 48.40395 4.150706  517.3655       83.65910 606.1265       
128.1490 451.4414       110.4400 51.96065 5.874374 44.84725 5.865591 7.113403 
8.301412 
1 1 1 1   34  19 f 71.41664 3.284182  1119.088       98.33405 1050.373       
138.6752 1188.581       139.4588 69.12086 4.778710 73.71243 4.506365 -4.591576 
6.568363 
1 1 1 1   34  20 o 17.02874 5.178726  -43.09023      74.58896 90.39650       
109.3015 -159.4337      102.0418 21.60756 8.396193 12.44991 6.064715 9.157644 
10.35745 
1 1 1 1   34  21 f 59.26065 3.724250  776.4107       91.69993 942.8974       
135.7303 636.6076       124.3786 65.25847 4.954057 53.26284 5.562145 11.99563 
7.448499 
1 1 1 1   34  22 o 47.16525 4.928754  529.7448       93.64224 577.2688       
126.3659 471.8610       139.4605 50.38654 5.973606 43.94395 7.841332 6.442581 
9.857508 
1 1 1 1   34  23 o 22.73758 6.350850  104.9942       88.57429 106.8375       
113.5370 102.1278       141.5806 22.38764 8.588470 23.08752 9.357958 
-0.6998787     12.70170 
1 1 1 1   34  24 o 95.43118 3.686313  2011.332       145.5537 1851.947       
187.8080 2251.052       230.3265 91.13316 4.908613 99.72921 5.501011 -8.596046 
7.372625 
1 1 1 1   34  25 o 17.15912 5.578304  -44.21791      90.82384 -46.49944      
117.0509 -40.76586      143.9789 16.22306 7.457317 18.09517 8.298091 -1.872116 
11.15661 
1 1 1 1   34  26 o 18.59542 5.741181  -19.14659      89.79858 -124.6462      
120.7464 111.4147       134.3247 14.42476 6.922034 22.76608 9.161336 -8.341318 
11.48236 
1 1 1 1   34  27 o 29.97506 6.026930  247.1004       94.81246 397.6461       
128.1220 64.85657       140.9666 39.12457 8.075521 20.82556 8.948827 18.29902 
12.05386 
1 1 1 1   34  28 o 25.82533 6.567435  190.0950       93.32929 234.4683       
126.7274 137.5052       137.9623 28.41109 9.263010 23.23957 9.312435 5.171524 
13.13487 
1 1 1 1   34  29 o 20.76317 6.130581  84.23628       92.45096 149.9783       
129.2101 15.27410       132.3368 23.34534 9.117060 18.18100 8.198496 5.164335 
12.26116 
1 1 1 1   35  0  o 25.69516 5.767405  183.0118       70.31202 210.5739       
101.2839 157.3731       97.68610 27.46754 8.179944 23.92279 8.132672 3.544756 
11.53481 
1 1 1 1   35  1  o 21.38087 4.982170  52.35657       75.38446 -187.5869      
112.4479 248.2216       101.5957 12.35342 6.084133 30.40832 7.891222 -18.05490 
9.964339 
1 1 1 1   35  2  o 39.68864 5.002270  390.4309       81.59648 402.4430       
114.6702 378.1104       116.1334 40.77700 6.698174 38.60027 7.431371 2.176731 
10.00454 
1 1 1 1   35  3  o 42.72543 8.089832  468.3945       139.8387 0.000000       
0.000000 468.3945       139.8387 ?        ?        42.72543 8.089832 ? ? 
1 1 1 1   35  4  o 57.08180 3.894469  702.5724       90.59732 986.9927       
148.7404 534.8151       114.2325 65.86204 5.379167 48.30157 5.633126 17.56047 
7.788938 
1 1 1 1   35  5  o 25.00764 6.251619  147.4874       81.30280 211.7519       
129.7145 105.9046       104.3422 28.16249 9.371543 21.85280 8.276783 6.309689 
12.50324 
1 1 1 1   35  6  o 67.23360 3.949983  1019.892       111.1361 1119.424       
165.1897 937.5874       150.2156 70.19356 5.605401 64.27363 5.566771 5.919930 
7.899965 
1 1 1 1   35  7  o 64.15511 3.396654  922.4386       90.52728 823.3145       
132.5069 1009.200       123.9690 60.58200 5.209737 67.72823 4.359779 -7.146229 
6.793308 
1 1 1 1   35  8  o 56.16703 3.554762  703.3851       83.79585 695.0708       
119.5644 711.4113       117.4737 55.78990 5.104667 56.54416 4.948504 
-0.7542572     7.109523 
1 1 1 1   35  9  o 86.03845 3.178226  1629.134       114.7622 1584.837       
162.5837 1673.122       162.0143 84.80916 4.566205 87.26774 4.422020 -2.458580 
6.356452 
1 1 1 1   35  10 o 47.17121 4.544466  513.0717       89.76590 485.6599       
128.7948 538.9657       125.1787 45.76098 6.703849 48.58145 6.137352 -2.820469 
9.088932 
1 1 1 1   35  11 o 43.37845 4.876554  436.2953       85.44373 549.9233       
127.9780 344.9117       114.7696 49.05653 6.213832 37.70038 7.517406 11.35615 
9.753107 
1 1 1 1   35  12 o 62.80477 3.478521  872.1767       91.43646 967.6475       
131.8663 783.7643       126.8981 66.22581 4.742722 59.38372 5.089894 6.842094 
6.957042 
1 1 1 1   35  13 o 71.10506 3.094775  1113.890       91.75108 1006.146       
132.7679 1212.382       126.9395 67.58267 4.679276 74.62745 4.051532 -7.044777 
6.189551 
1 1 1 1   35  14 o 59.27605 3.445089  762.4570       84.90020 893.3624       
131.5447 668.9967       111.1497 63.51679 4.932940 55.03530 4.810474 8.481491 
6.890179 
1 1 1 1   35  15 o 19.57628 5.506130  48.29390       75.10504 -55.75387      
116.6512 121.9638       98.15627 16.14995 7.432472 23.00262 8.125775 -6.852667 
11.01226 
1 1 1 1   35  16 o 71.22646 3.321826  1122.783       98.24043 1087.750       
148.8155 1149.843       130.7894 69.95849 5.066741 72.49442 4.297235 -2.535934 
6.643651 
1 1 1 1   35  17 o 46.94698 4.513047  525.5471       82.26233 365.0764       
118.5954 674.3488       114.2020 38.75436 7.558681 55.13960 4.933227 -16.38523 
9.026094 
1 1 1 1   35  18 o 62.48304 3.603118  840.6311       92.86403 1084.886       
147.0459 678.5859       119.7704 69.83506 5.015341 55.13102 5.174572 14.70404 
7.206236 
1 1 1 1   35  19 o 42.49400 4.588460  430.4182       77.47453 359.7801       
116.4285 486.5515       103.7887 38.41633 7.485894 46.57166 5.308227 -8.155327 
9.176921 
1 1 1 1   35  20 o 38.94513 5.353230  386.7014       84.01622 247.7488       
123.7774 505.4155       114.4087 30.76331 9.010646 47.12695 5.782434 -16.36363 
10.70646 
1 1 1 1   35  21 f 36.77347 5.764117  356.0095       91.00069 481.9241       
123.7506 207.7511       134.2824 45.49242 6.479319 28.05452 9.535125 17.43791 
11.52823 
1 1 1 1   35  22 o 18.11718 5.708806  -28.36467      91.84188 -121.2839      
128.4452 68.83792       131.3723 15.14964 7.238252 21.08471 8.830037 -5.935072 
11.41761 
1 1 1 1   35  23 o 38.99835 6.041070  395.3224       96.20575 375.9202       
136.0663 414.7184       136.0447 37.83580 8.736044 40.16090 8.346236 -2.325104 
12.08214 
1 1 1 1   35  24 o 27.17467 6.791248  202.4965       96.83678 207.3018       
132.6535 197.0142       141.6883 27.48132 9.471426 26.86802 9.735312 0.6133003 
13.58250 
1 1 1 1   35  25 o 54.13049 4.470992  696.4289       100.0582 692.1472       
130.9930 702.4263       155.0326 54.50789 5.724133 53.75310 6.869742 0.7547874 
8.941983 
1 1 1 1   35  26 o 21.03458 6.160482  89.44357       91.34772 130.6208       
121.1726 35.23431       139.0313 22.68997 8.835534 19.37918 8.587170 3.310795 
12.32096 
1 1 1 1   35  27 o 51.37499 5.308569  690.6524       107.4075 733.9838       
139.6656 627.9321       168.0320 55.17272 6.029565 47.57726 8.738876 7.595459 
10.61714 
1 1 1 1   35  28 o 39.13503 6.084952  443.5888       100.8303 566.5309       
138.9165 306.7020       146.5832 47.22314 7.006807 31.04692 9.950438 16.17622 
12.16990 
1 1 1 1   36  2  o 18.14532 5.426428  18.26317       76.83630 136.9150       
115.3246 -76.45081      103.0366 22.49182 8.648180 13.79882 6.556942 8.693000 
10.85286 
1 1 1 1   36  3  o 25.06755 9.091807  182.9713       123.6025 182.9713       
123.6025 0.000000       0.000000 25.06755 9.091807 ?        ?        ? ? 
1 1 1 1   36  4  o 18.84842 5.623281  35.45379       79.67905 130.2671       
119.4595 -40.53189      106.9430 22.50384 8.770844 15.19299 7.039706 7.310850 
11.24656 
1 1 1 1   36  5  o 14.59954 4.865152  -72.42822      77.47373 -124.2494      
123.3756 -38.69048      99.54823 14.36349 6.917908 14.83559 6.842614 
-0.4721022     9.730304 
1 1 1 1   36  6  o 69.75593 3.702055  1114.019       108.1537 1132.359       
158.9809 1098.218       147.5615 70.10046 5.401882 69.41140 5.063645 0.6890564 
7.404109 
1 1 1 1   36  7  o 14.36196 4.844740  -121.4240      83.80449 -213.7855      
126.5596 -49.30225      111.8362 13.13256 6.468066 15.59135 7.214578 -2.458788 
9.689480 
1 1 1 1   36  8  o 57.43277 3.640112  742.6450       87.48303 821.1790       
129.8292 677.3310       118.3987 60.20517 5.136411 54.66037 5.159356 5.544792 
7.280224 
1 1 1 1   36  9  o 33.27898 5.731305  287.7363       82.61496 184.0590       
115.5376 396.2055       118.1775 26.47157 8.844607 40.08639 7.291388 -13.61482 
11.46261 
1 1 1 1   36  10 o 57.28313 3.820615  745.2357       91.78386 741.0670       
126.8064 749.8229       133.0204 57.21365 5.279133 57.35260 5.524413 
-0.1389465     7.641230 
1 1 1 1   36  11 o 71.83829 3.559994  1154.584       107.0474 1038.985       
146.9995 1285.096       156.1942 67.90987 5.155896 75.76670 4.910294 -7.856834 
7.119989 
1 1 1 1   36  12 o 69.42233 3.604896  1079.159       104.8606 1173.603       
153.2453 996.0034       143.7959 72.31344 5.047649 66.53121 5.148043 5.782227 
7.209793 
1 1 1 1   36  13 o 27.23439 6.242421  192.7142       81.42910 186.9086       
113.5496 198.8607       116.8370 26.87505 8.768185 27.59373 8.887644 
-0.7186832     12.48484 
1 1 1 1   36  14 o 81.41660 3.392114  1465.266       114.0434 1411.632       
147.4721 1545.060       179.8755 79.96059 4.392936 82.87261 5.169900 -2.912025 
6.784228 
1 1 1 1   36  15 o 50.35426 3.930736  576.7102       81.23586 574.6797       
128.4923 578.0623       104.8494 49.85618 6.138740 50.85233 4.911071 
-0.9961510     7.861472 
1 1 1 1   36  16 o 17.43524 5.416355  8.538644       75.48018 -1.737639      
120.2439 15.22103       96.96407 17.86486 7.942761 17.00561 7.366148 0.8592567 
10.83271 
1 1 1 1   36  17 o 24.61873 5.911001  151.8674       72.67966 152.5633       
110.1214 151.3303       96.74252 24.66985 8.617323 24.56760 8.093299 0.1022472 
11.82200 
1 1 1 1   36  18 o 47.88977 4.182166  538.8654       81.79662 463.4807       
124.3254 596.4023       108.6154 44.27853 6.687869 51.50100 5.023390 -7.222473 
8.364331 
1 1 1 1   36  19 o 14.70820 4.734726  -68.88737      70.90549 -199.5129      
107.8775 30.46743       94.08299 12.01979 5.924261 17.39662 7.387398 -5.376835 
9.469452 
1 1 1 1   36  20 o 22.31954 6.120186  110.8497       82.75050 81.45940       
116.5542 140.7218       117.5054 20.80129 8.469283 23.83780 8.837305 -3.036512 
12.24037 
1 1 1 1   36  21 o 46.69901 5.540348  559.5530       102.7748 689.6643       
143.0752 420.8427       147.7275 54.01872 6.308717 39.37929 9.109441 14.63943 
11.08070 
1 1 1 1   36  22 o 27.70710 6.370808  205.0179       92.44526 98.67323       
129.2302 316.4723       132.2985 21.71200 8.891866 33.70220 9.125979 -11.99020 
12.74162 
1 1 1 1   36  23 o 57.94666 4.288271  798.6036       104.1712 782.3618       
143.0073 816.9640       152.0487 57.47398 5.926633 58.41935 6.199363 
-0.9453773     8.576543 
1 1 1 1   36  24 o 33.72203 6.391558  332.1545       93.83604 379.6512       
127.3629 275.7611       138.7793 37.29453 8.344508 30.14953 9.683865 7.144991 
12.78312 
1 1 1 1   36  25 o 27.98263 6.705993  231.8932       94.74570 172.6342       
126.0040 308.9850       143.7180 24.47386 9.135684 31.49140 9.819402 -7.017536 
13.41199 
1 1 1 1   36  26 o 22.38500 6.476051  116.2343       98.08036 49.86601       
129.7327 204.7745       149.8440 19.11418 8.399207 25.65582 9.859526 -6.541641 
12.95210 
1 1 1 1   37  6  o 28.46227 6.388219  238.7705       85.03299 267.1978       
129.3218 217.1192       112.8614 29.64937 9.328571 27.27516 8.730128 2.374210 
12.77644 
1 1 1 1   37  7  o 26.40985 6.386077  195.2971       89.86008 299.4246       
133.4897 109.0128       121.5153 31.51983 9.391664 21.29986 8.655900 10.21997 
12.77215 
1 1 1 1   37  8  o 69.19176 3.411873  1099.516       98.99445 1164.890       
140.8544 1035.706       139.1596 71.37599 4.700447 67.00752 4.946645 4.368469 
6.823745 
1 1 1 1   37  9  o 38.01370 5.743466  388.9075       89.12708 329.0771       
124.4513 451.9034       127.7010 34.34024 8.634356 41.68716 7.576115 -7.346920 
11.48693 
1 1 1 1   37  10 o 18.15612 5.637000  21.67155       84.54375 68.73434       
118.3355 -27.39570      120.8293 19.77949 8.336328 16.53276 7.590040 3.246729 
11.27400 
1 1 1 1   37  11 o 42.55053 5.283581  461.5301       91.73473 498.6319       
127.8497 422.1593       131.7010 45.15636 6.743755 39.94469 8.135519 5.211670 
10.56716 
1 1 1 1   37  12 o 32.01021 6.260328  290.0109       91.01086 371.8731       
126.3585 201.7616       131.1953 37.36360 8.274737 26.65682 9.396570 10.70677 
12.52066 
1 1 1 1   37  13 o 16.65965 5.357057  -22.38806      82.67381 -55.72747      
116.2196 11.76549       117.6301 15.57188 7.262580 17.74743 7.877003 -2.175550 
10.71411 
1 1 1 1   37  14 o 18.49971 5.700467  30.68644       83.75883 50.30395       
115.9730 9.296415       121.0990 19.13175 8.165311 17.86767 7.956694 1.264086 
11.40093 
1 1 1 1   37  15 f 38.10313 5.802895  384.3208       90.28591 426.8574       
127.3587 341.3474       128.0109 40.76790 7.721482 35.43836 8.664471 5.329536 
11.60579 
1 1 1 1   37  16 o 32.54104 6.206129  296.7854       89.60248 367.7311       
124.1404 219.6279       129.4611 37.31454 8.149224 27.76755 9.362386 9.546988 
12.41226 
1 1 1 1   37  17 o 17.22496 5.372952  -29.16357      78.30818 101.3401       
124.4149 -114.7826      100.7734 21.52800 8.755222 12.92193 6.230612 8.606072 
10.74590 
1 1 1 1   37  18 o 66.79993 3.619240  1019.275       100.0123 1069.669       
156.4859 984.4772       130.0361 67.73003 5.503196 65.86981 4.702171 1.860222 
7.238480 
1 1 1 1   37  19 o 45.99400 4.492853  477.2533       83.74372 673.0912       
142.1776 373.2184       103.6269 52.65247 6.431814 39.33552 6.274926 13.31695 
8.985706 
1 1 1 1   37  20 o 25.17503 6.173551  167.8499       85.99480 75.65513       
119.2379 267.7814       124.1402 19.97364 8.390695 30.37643 9.057988 -10.40279 
12.34710 
1 1 1 1   37  21 o 21.75492 6.178521  116.5679       86.70365 96.46620       
126.7283 134.2576       118.8824 20.95504 8.717387 22.55479 8.758060 -1.599747 
12.35704 
1 1 1 1   37  22 o 26.61213 6.701676  216.6497       96.48264 257.9361       
131.2240 168.0668       142.3480 29.08489 9.424073 24.13936 9.530828 4.945530 
13.40335 
1 1 1 1   37  23 o 20.47776 6.145898  80.36049       95.49098 135.3379       
127.0419 8.959628       144.7793 22.50930 8.966933 18.44623 8.407281 4.063066 
12.29180 
1 1 1 1   38  12 o 30.87118 6.523457  286.5998       90.99020 285.1652       
129.0343 288.0186       128.3278 30.75826 9.247608 30.98410 9.203462 
-0.2258377     13.04691 
1 1 1 1   38  13 o 58.10451 4.243422  816.7823       103.2023 740.0218       
143.4620 899.1088       148.5722 54.99986 6.212929 61.20916 5.781524 -6.209301 
8.486843 
1 1 1 1   38  14 o 30.27145 6.444277  272.7260       89.02477 237.6165       
123.3051 310.9547       128.6660 28.12990 9.137078 32.41299 9.090030 -4.283087 
12.88855 
1 1 1 1   38  15 o 20.41242 6.004941  74.39375       88.71668 -1.674587      
121.4101 161.5447       129.9538 17.05543 7.753386 23.76941 9.171819 -6.713984 
12.00988 
1 1 1 1   38  16 o 51.03595 4.664945  646.2258       99.76777 694.7075       
146.3840 604.1707       136.3370 52.81071 6.602260 49.26120 6.592194 3.549515 
9.329890 
1 1 1 1   38  17 o 16.97102 5.506882  -18.11183      90.78040 21.09176       
125.4183 -61.25435      131.5681 17.95762 8.044196 15.98442 7.522892 1.973203 
11.01376 
1 1 1 2   -34 0  o 19.00085 5.816123  48.44958       86.68625 83.38200       
116.3830 4.920815       129.9162 20.16687 8.369515 17.83483 8.078387 2.332041 
11.63225 
1 1 1 2   -34 1  o 21.15786 8.979192  97.95093       138.8565 0.000000       
0.000000 97.95093       138.8565 ?        ?        21.15786 8.979192 ? ? 
1 1 1 2   -33 0  o 20.43405 5.838241  73.58479       79.49595 27.16316       
114.6108 116.6254       110.3582 18.44003 7.998254 22.42807 8.506948 -3.988045 
11.67648 
1 1 1 2   -33 1  o 27.18063 8.994470  202.5601       119.4861 0.000000       
0.000000 202.5601       119.4861 ?        ?        27.18063 8.994470 ? ? 
1 1 1 2   -33 2  o 22.99289 8.704591  137.0387       115.3633 137.0387       
115.3633 0.000000       0.000000 22.99289 8.704591 ?        ?        ? ? 
1 1 1 2   -33 3  o 22.88329 5.595928  127.6059       70.77394 219.7285       
104.4101 49.29690       96.26431 27.98185 8.299551 17.78474 7.508334 10.19711 
11.19186 
1 1 1 2   -33 4  o 21.06694 5.144393  98.76063       66.15463 -16.45469      
97.07375 198.6704       90.39630 15.14164 6.896589 26.99224 7.635194 -11.85060 
10.28879 
1 1 1 2   -32 0  o 53.75865 4.204221  658.8814       94.38039 663.5580       
127.5833 653.2288       140.2642 54.20385 5.606407 53.31345 6.266587 0.8904076 
8.408442 
1 1 1 2   -32 1  o 22.74027 6.434598  104.6854       92.83916 73.62688       
151.3715 123.4130       117.5425 22.19518 9.394995 23.28536 8.794902 -1.090187 
12.86920 
1 1 1 2   -32 2  o 26.24119 6.139184  178.3366       80.38396 214.0403       
109.2948 136.2668       118.6394 28.65803 8.489710 23.82435 8.870352 4.833675 
12.27837 
1 1 1 2   -32 3  o 21.74593 5.648965  111.3518       67.59149 111.8722       
99.74323 110.9098       91.91370 21.85513 8.134087 21.63673 7.840909 0.2183971 
11.29793 
1 1 1 2   -32 4  o 14.39130 4.653574  -36.90615      62.88310 2.236528       
96.35741 -65.94326      82.99204 16.09184 7.137352 12.69076 5.973377 3.401086 
9.307149 
1 1 1 2   -32 5  o 24.70946 5.403327  164.6679       64.60381 110.5674       
94.21738 212.6764       88.75432 21.05497 7.891772 28.36396 7.382664 -7.308990 
10.80665 
1 1 1 2   -32 6  o 28.37849 5.301887  215.2934       64.63053 259.5985       
95.00564 177.1270       88.17848 31.27023 7.352195 25.48676 7.641023 5.783476 
10.60377 
1 1 1 2   -31 0  o 38.18846 6.236183  366.5800       98.33070 412.5858       
136.6599 317.1933       141.5924 41.15725 8.199611 35.21967 9.398207 5.937580 
12.47237 
1 1 1 2   -31 1  o 30.85073 8.213140  236.6705       108.2938 236.6705       
108.2938 0.000000       0.000000 30.85073 8.213140 ?        ?        ? ? 
1 1 1 2   -31 2  o 43.56000 5.088893  447.4740       86.53098 442.0619       
107.7457 457.3063       145.2253 44.21405 5.804447 42.90594 8.360367 1.308117 
10.17779 
1 1 1 2   -31 3  o 30.64621 5.137928  228.1106       64.90935 253.6882       
97.56635 207.8006       86.94106 32.14546 7.381021 29.14696 7.149388 2.998503 
10.27586 
1 1 1 2   -31 4  o 17.97423 5.132945  47.99556       61.18603 15.32935       
89.47968 76.68353       83.85424 16.50495 7.111698 19.44351 7.403530 -2.938557 
10.26589 
1 1 1 2   -31 5  o 22.75522 5.391016  122.8686       61.21221 166.0379       
92.48174 89.21185       81.65917 25.48544 7.862961 20.02499 7.377403 5.460453 
10.78203 
1 1 1 2   -31 6  o 29.09487 4.661496  199.5551       62.63696 359.4016       
94.58453 74.69758       83.59415 39.24802 5.740153 18.94173 7.346347 20.30629 
9.322991 
1 1 1 2   -31 7  o 39.23046 3.898973  362.4665       63.89879 400.9691       
90.57416 324.3149       90.16034 41.54681 5.192634 36.91411 5.817605 4.632694 
7.797946 
1 1 1 2   -31 8  o 19.01427 5.102335  80.81944       57.49339 117.7106       
83.15581 47.03445       79.57803 21.24954 7.481912 16.77900 6.939473 4.470537 
10.20467 
1 1 1 2   -30 0  o 43.86433 8.048305  456.3179       142.6832 0.000000       
0.000000 456.3179       142.6832 ?        ?        43.86433 8.048305 ? ? 
1 1 1 2   -30 1  o 88.58045 4.101901  1695.660       152.5464 1695.660       
152.5464 0.000000       0.000000 88.58045 4.101901 ?        ?        ? ? 
1 1 1 2   -30 2  o 72.91969 3.759326  1141.055       99.95786 1106.034       
115.0868 1248.610       201.6851 71.60087 3.828497 74.23850 6.470916 -2.637634 
7.518653 
1 1 1 2   -30 3  o 34.51671 4.702039  279.1131       66.28848 250.5314       
97.51391 303.6678       90.38373 32.26701 7.358695 36.76640 5.855449 -4.499393 
9.404078 
1 1 1 2   -30 4  o 34.19274 4.435553  274.1018       61.47335 236.0244       
90.48630 306.7396       83.77406 31.33307 7.049432 37.05241 5.385354 -5.719332 
8.871106 
1 1 1 2   -30 5  o 42.08601 3.667184  396.2003       64.63969 429.1684       
91.92541 363.9553       90.91170 43.91631 4.985754 40.25571 5.379147 3.660599 
7.334368 
1 1 1 2   -30 6  o 24.35142 5.288818  144.6734       59.86639 175.7685       
87.08371 116.8094       82.43514 26.55761 7.488123 22.14524 7.470903 4.412374 
10.57764 
1 1 1 2   -30 7  o 27.47229 4.650215  188.2793       56.93400 106.7693       
83.43794 259.2964       77.88250 21.26583 7.493889 33.67874 5.508142 -12.41291 
9.300430 
1 1 1 2   -30 8  o 23.95161 5.023616  142.5798       55.78600 192.6373       
81.79948 99.05379       76.27640 27.55831 7.042895 20.34491 7.165507 7.213394 
10.04723 
1 1 1 2   -30 9  o 17.38303 4.786572  54.56237       52.86200 10.78353       
74.24695 99.56801       75.28006 14.69592 6.406496 20.07014 7.113502 -5.374219 
9.573145 
1 1 1 2   -30 10 o 20.22806 5.004064  103.5807       52.31200 103.5371       
78.67011 103.6152       70.04029 20.24692 7.262260 20.20921 6.886378 
0.3770638E-01  10.00813 
1 1 1 2   -29 0  o 58.68565 6.288620  759.9529       154.9409 759.9529       
154.9409 0.000000       0.000000 58.68565 6.288620 ?        ?        ? ? 
1 1 1 2   -29 1  o 40.36736 5.269758  357.3719       85.73677 298.5127       
108.0349 457.5077       140.9132 35.78090 7.438788 44.95381 7.466314 -9.172909 
10.53952 
1 1 1 2   -29 2  o 44.86349 3.634214  450.3036       66.32350 555.0186       
91.91098 336.5369       95.80110 50.69875 4.318085 39.02823 5.846725 11.67052 
7.268428 
1 1 1 2   -29 3  o 38.35640 4.392409  340.2589       66.69974 436.1310       
93.83160 242.3322       94.83170 44.65510 5.004943 32.05771 7.219666 12.59739 
8.784819 
1 1 1 2   -29 4  o 21.19922 5.334966  95.85931       59.93623 94.87177       
84.95121 96.83810       84.57528 21.14105 7.550228 21.25739 7.539330 
-0.1163406     10.66993 
1 1 1 2   -29 5  o 65.45494 2.899139  929.6492       79.65453 907.3569       
112.3948 952.1439       112.9040 64.64503 4.141255 66.26486 4.058328 -1.619835 
5.798277 
1 1 1 2   -29 6  o 24.46662 5.298743  144.7531       61.61955 99.27975       
91.28116 182.8238       83.52137 21.43564 7.809364 27.49760 7.163836 -6.061966 
10.59749 
1 1 1 2   -29 7  o 20.64037 4.588318  48.49188       60.93851 208.0070       
86.58123 -108.1007      85.78442 29.22493 7.113617 12.05581 5.797163 17.16911 
9.176636 
1 1 1 2   -29 8  o 35.66640 4.605653  297.0028       66.42693 210.5163       
89.19417 404.7133       99.53852 29.15065 7.297733 42.18215 5.620611 -13.03150 
9.211307 
1 1 1 2   -29 9  o 49.78929 4.540802  619.7910       84.01341 472.5366       
138.0987 706.3104       105.8553 43.22972 7.902784 56.34885 4.474541 -13.11913 
9.081603 
1 1 1 2   -29 10 o 21.40441 5.404278  112.8493       61.53121 121.0177       
88.18203 105.0983       85.89941 21.94212 7.706819 20.86669 7.578246 1.075434 
10.80856 
1 1 1 2   -29 11 o 38.87590 4.073435  361.7585       66.14539 377.2426       
90.79358 344.2451       96.55989 40.04953 5.399814 37.70227 6.100288 2.347260 
8.146871 
1 1 1 2   -28 0  f 48.56559 4.324017  504.3913       88.16476 504.3913       
88.16476 0.000000       0.000000 48.56559 4.324017 ?        ?        ? ? 
1 1 1 2   -28 1  o 41.61169 5.145217  412.2851       67.02608 425.7617       
74.57931 355.6801       152.8467 44.64740 3.978719 38.57599 9.490145 6.071404 
10.29043 
1 1 1 2   -28 2  o 55.75682 3.183152  668.2765       74.16485 664.8901       
100.0842 672.4006       110.4502 55.66374 4.282665 55.84991 4.710479 
-0.1861649     6.366304 
1 1 1 2   -28 3  o 28.55077 5.066492  189.2491       62.43960 255.0317       
89.13673 125.8717       87.49210 33.40269 6.590832 23.69885 7.696642 9.703836 
10.13298 
1 1 1 2   -28 4  o 70.78009 3.148889  1088.359       91.03838 1109.657       
116.8079 1055.403       145.3022 71.91431 3.868816 69.64587 4.969333 2.268448 
6.297778 
1 1 1 2   -28 5  o 46.79306 3.759899  486.4102       72.84501 531.4900       
98.63412 432.3180       108.0446 49.41347 4.754478 44.17266 5.826003 5.240814 
7.519798 
1 1 1 2   -28 6  o 28.10296 4.794785  182.0697       67.42125 323.1188       
93.58270 29.85206       97.21720 38.07318 5.854603 18.13274 7.594965 19.94044 
9.589571 
1 1 1 2   -28 7  o 55.00614 3.477536  663.0012       80.05931 595.4334       
109.7274 739.9156       117.0710 51.96363 5.029637 58.04865 4.803726 -6.085022 
6.955073 
1 1 1 2   -28 8  o 69.08604 3.152988  1044.427       90.50615 1036.598       
119.6276 1054.907       138.4060 68.98925 4.130200 69.18282 4.765163 
-0.1935730     6.305975 
1 1 1 2   -28 9  o 25.59416 5.432788  158.6516       64.02866 120.0042       
87.28196 203.6831       94.21541 22.56245 7.687394 28.62587 7.678849 -6.063416 
10.86558 
1 1 1 2   -28 10 o 47.83860 3.466293  509.3635       69.44755 465.8213       
94.92046 559.5200       101.8753 45.61573 4.956399 50.06146 4.847149 -4.445724 
6.932586 
1 1 1 2   -28 11 o 21.97449 5.406554  117.7883       61.25245 117.3136       
86.79171 118.2593       86.45735 21.94267 7.651630 22.00632 7.640409 
-0.6365204E-01 10.81311 
1 1 1 2   -28 12 o 51.27175 3.260013  587.7893       69.68146 513.3251       
92.63215 684.8474       105.7557 47.55910 4.639265 54.98441 4.581262 -7.425312 
6.520026 
1 1 1 2   -28 13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -27 0  o 27.54827 5.482085  154.3004       61.28983 127.4348       
72.32464 222.7475       115.4424 23.90395 6.851357 31.19259 8.559902 -7.288643 
10.96417 
1 1 1 2   -27 1  o 36.42693 3.354984  280.7833       50.86177 262.2528       
66.84827 306.2575       78.37874 35.04301 4.543701 37.81084 4.937453 -2.767830 
6.709968 
1 1 1 2   -27 2  o 129.5451 2.545753  3601.849       135.8834 3782.274       
178.6822 3354.399       209.2552 133.5998 3.185638 125.4904 3.971794 8.109421 
5.091506 
1 1 1 2   -27 3  o 32.98579 5.180808  246.4455       69.78889 210.4536       
93.58794 291.5299       104.7445 30.23059 7.419170 35.74098 7.233188 -5.510384 
10.36162 
1 1 1 2   -27 4  o 22.86821 5.637548  108.3227       68.58154 144.6202       
91.01755 60.64508       104.3144 25.23518 7.803450 20.50124 8.138426 4.733938 
11.27510 
1 1 1 2   -27 5  o 29.69046 5.234052  206.7997       65.46645 236.2355       
90.81446 174.9530       94.46021 31.99741 6.954678 27.38352 7.823915 4.613897 
10.46810 
1 1 1 2   -27 6  o 41.95194 4.019740  392.2423       69.66791 445.9263       
95.60496 331.4584       101.7307 45.26117 5.031249 38.64272 6.270547 6.618443 
8.039479 
1 1 1 2   -27 7  o 94.27798 3.232951  1911.461       124.5764 1852.445       
158.0058 2008.416       202.5219 92.70158 4.059823 95.85439 5.032468 -3.152809 
6.465902 
1 1 1 2   -27 8  o 61.91134 3.101823  833.8068       79.99200 841.5489       
107.0291 824.0098       120.3990 62.37547 4.087044 61.44721 4.667043 0.9282646 
6.203645 
1 1 1 2   -27 9  o 74.62328 3.284174  1217.260       99.84864 1208.418       
126.7504 1231.721       162.0959 74.64478 4.044558 74.60178 5.175400 
0.4299164E-01  6.568349 
1 1 1 2   -27 10 o 29.92561 4.800813  220.0754       63.76490 325.5005       
88.17534 104.5017       92.32189 38.09346 5.513378 21.75776 7.860909 16.33570 
9.601626 
1 1 1 2   -27 11 o 38.00515 4.270614  333.3038       66.01371 279.4666       
90.86167 393.4912       96.07096 34.26524 6.550156 41.74507 5.481608 -7.479836 
8.541228 
1 1 1 2   -27 12 o 20.58093 4.866873  100.8694       48.59537 81.55627       
86.11180 109.8941       58.86423 19.74916 7.507603 21.41270 6.195297 -1.663544 
9.733746 
1 1 1 2   -27 13 f 19.96568 4.341415  96.95400       46.00309 16.93394       
73.85213 147.6888       58.80529 15.17194 6.496879 24.75943 5.760392 -9.587497 
8.682831 
1 1 1 2   -27 14 f 29.24600 3.964599  171.6836       47.38874 383.0402       
84.25583 73.88686       57.31313 40.75439 4.924324 17.73761 6.214759 23.01678 
7.929199 
1 1 1 2   -26 0  o 45.76742 3.512119  369.3530       61.25820 264.4896       
70.97926 675.4676       121.2723 35.25320 4.795722 56.28164 5.132346 -21.02843 
7.024238 
1 1 1 2   -26 1  o 31.08171 3.887308  207.1407       49.11496 164.2091       
65.67388 261.6253       73.98450 27.14759 5.925961 35.01583 5.032657 -7.868246 
7.774616 
1 1 1 2   -26 2  o 89.98975 2.153732  1710.770       81.25803 1702.976       
111.9045 1719.464       118.1850 89.78780 2.968596 90.19168 3.121166 
-0.4038773     4.307463 
1 1 1 2   -26 3  o 64.95605 2.473507  899.4723       66.77715 936.2601       
89.48454 853.2406       100.3150 66.51380 3.204479 63.39831 3.768854 3.115490 
4.947014 
1 1 1 2   -26 4  o 52.10268 2.761823  593.3286       58.67732 712.7793       
80.27070 456.2542       85.98859 57.98942 3.297079 46.21595 4.431696 11.77347 
5.523646 
1 1 1 2   -26 5  o 53.28647 3.591478  623.2612       78.39342 681.3697       
103.5381 545.1985       120.0059 56.42918 4.370365 50.14376 5.700419 6.285416 
7.182957 
1 1 1 2   -26 6  o 46.38157 3.596174  464.5272       69.87915 457.0136       
95.45544 473.2037       102.5764 46.01563 4.941017 46.74751 5.226492 
-0.7318726     7.192348 
1 1 1 2   -26 7  o 58.90773 3.263184  746.6945       80.58484 713.1780       
110.3644 784.9708       117.9408 57.51051 4.570914 60.30496 4.658350 -2.794453 
6.526368 
1 1 1 2   -26 8  o 71.53083 2.976726  1052.008       86.17835 926.7170       
106.1944 1293.663       147.4819 65.72811 3.848324 77.33355 4.542466 -11.60544 
5.953453 
1 1 1 2   -26 9  o 52.04739 3.507171  586.0435       75.99465 548.8821       
100.0433 636.7379       116.8483 50.20234 4.746629 53.89244 5.164349 -3.690102 
7.014341 
1 1 1 2   -26 10 o 44.22445 3.683494  434.6458       67.14569 451.3236       
88.21597 411.6760       103.5281 45.46836 4.621244 42.98053 5.737301 2.487839 
7.366989 
1 1 1 2   -26 11 o 36.20577 4.631940  301.2757       68.03728 227.0307       
92.02164 390.8025       101.0492 30.69810 7.247499 41.71344 5.770028 -11.01534 
9.263880 
1 1 1 2   -26 12 o 24.94653 4.625431  122.9525       48.19580 240.5044       
88.15224 72.83229       57.56052 31.65895 6.826852 18.23412 6.242798 13.42484 
9.250861 
1 1 1 2   -26 13 o 51.09885 2.796542  568.1532       59.83754 608.1241       
88.62875 534.6718       81.11560 52.71716 4.004458 49.48055 3.904729 3.236607 
5.593084 
1 1 1 2   -26 14 o 47.90414 2.935663  523.4741       55.24301 453.5543       
92.44877 562.3058       68.89619 44.85567 4.909134 50.95261 3.220696 -6.096943 
5.871327 
1 1 1 2   -26 15 o 41.98246 3.166429  357.8252       52.66879 537.4818       
95.88140 280.1887       63.02979 48.61502 4.697697 35.34989 4.246966 13.26513 
6.332857 
1 1 1 2   -26 16 o 48.01302 3.071202  526.2173       58.47223 510.8668       
99.20070 534.3901       72.38303 46.84779 5.043671 49.17825 3.505781 -2.330463 
6.142403 
1 1 1 2   -25 0  o 29.26762 4.025146  188.2694       47.98618 204.0707       
64.38504 168.5246       71.97253 30.99827 4.947304 27.53698 6.350700 3.461288 
8.050292 
1 1 1 2   -25 1  f 24.19241 4.411092  122.3290       48.26187 56.97794       
64.83885 203.5166       72.26933 18.01002 6.579770 30.37481 5.876866 -12.36479 
8.822184 
1 1 1 2   -25 2  o 58.24651 2.430887  716.1454       59.07879 709.8712       
79.11914 724.0527       88.81981 57.97900 3.250364 58.51403 3.615521 
-0.5350342     4.861775 
1 1 1 2   -25 3  o 62.59150 2.546604  847.7158       65.24062 1025.667       
90.24873 652.9310       94.42097 69.69448 3.084351 55.48851 4.053092 14.20597 
5.093209 
1 1 1 2   -25 4  o 139.1488 2.478236  4110.589       144.3125 4298.876       
199.3782 3903.395       209.1496 142.5616 3.331165 135.7360 3.670143 6.825623 
4.956471 
1 1 1 2   -25 5  o 22.26260 4.368077  105.8089       44.21744 158.2027       
65.27927 61.38976       60.10635 26.58025 5.992736 17.94494 6.356690 8.635309 
8.736155 
1 1 1 2   -25 6  o 32.93353 4.386221  236.3189       55.73227 230.0490       
67.69494 249.5086       98.18462 32.75483 4.922683 33.11222 7.261055 
-0.3573914     8.772442 
1 1 1 2   -25 7  o 92.54781 3.807100  1828.667       146.7811 1679.261       
193.4544 2031.371       225.3330 88.22485 5.222866 96.87077 5.540553 -8.645920 
7.614201 
1 1 1 2   -25 8  o 26.11641 4.521040  143.2766       63.93792 289.7140       
87.33672 -25.84898      93.85893 36.46065 5.705497 15.77216 7.014735 20.68849 
9.042080 
1 1 1 2   -25 9  o 56.91494 3.328661  689.3972       78.48790 637.8904       
101.6365 765.4951       123.5389 54.40923 4.449367 59.42065 4.952077 -5.011414 
6.657322 
1 1 1 2   -25 10 o 50.80940 3.463742  551.3790       72.19293 515.3418       
91.55966 610.6028       117.3753 48.80712 4.468297 52.81168 5.293803 -4.004562 
6.927484 
1 1 1 2   -25 11 o 32.50774 4.926804  249.1500       65.08868 261.5208       
88.28671 234.4200       96.33796 33.62623 6.485166 31.38926 7.418638 2.236969 
9.853607 
1 1 1 2   -25 12 o 31.34807 4.850132  236.5393       64.20105 316.7600       
88.94325 149.2760       92.76529 37.69168 5.620677 25.00446 7.905891 12.68722 
9.700264 
1 1 1 2   -25 13 o 48.34523 2.855051  511.2209       56.90043 491.7941       
88.22242 525.0580       74.45638 47.38011 4.435105 49.31035 3.596540 -1.930241 
5.710102 
1 1 1 2   -25 14 f 31.57244 3.883697  214.6176       48.79237 279.6193       
83.80991 181.2910       60.01073 35.10219 5.686987 28.04270 5.290614 7.059494 
7.767395 
1 1 1 2   -25 15 o 39.20144 3.241066  305.5266       48.93896 441.0363       
95.00082 256.5760       57.09801 44.20794 5.118564 34.19493 3.977226 10.01301 
6.482131 
1 1 1 2   -25 16 o 34.65539 3.646078  250.8993       50.08656 357.1208       
91.17940 204.9951       59.93991 39.21321 5.538414 30.09758 4.743574 9.115629 
7.292155 
1 1 1 2   -25 17 o 26.56247 4.486877  202.6575       53.90367 80.71918       
93.75848 262.8617       65.88005 19.22370 7.687871 33.90124 4.628704 -14.67754 
8.973754 
1 1 1 2   -24 0  o 45.80148 2.791109  445.2489       53.24309 465.5791       
71.95042 420.6410       79.15891 46.98213 3.647722 44.62082 4.225551 2.361309 
5.582217 
1 1 1 2   -24 1  o 74.46081 2.313888  1168.804       72.32248 1167.233       
101.3063 1170.437       103.2812 74.41264 3.242729 74.50898 3.301670 
-0.9634399E-01 4.627777 
1 1 1 2   -24 2  o 58.24617 2.497268  721.1642       60.59042 771.1087       
82.64471 663.1205       89.09383 60.46617 3.255545 56.02618 3.787719 4.439987 
4.994535 
1 1 1 2   -24 3  f 116.8479 2.268269  2834.031       105.1826 3022.985       
183.9128 2742.184       128.2227 119.6050 3.662552 114.0909 2.676916 5.514061 
4.536537 
1 1 1 2   -24 4  o 62.48397 2.344189  831.7968       60.77729 969.0852       
85.49172 691.5111       86.41993 67.77652 3.004456 57.19141 3.599185 10.58511 
4.688378 
1 1 1 2   -24 5  o 23.09314 4.320883  118.7760       43.44737 150.7203       
60.88655 85.63474       62.01675 26.04001 5.724522 20.14627 6.473792 5.893749 
8.641767 
1 1 1 2   -24 6  o 161.6654 2.442901  5443.607       157.0316 5802.084       
273.3737 5267.077       191.8388 165.3795 3.937279 157.9513 2.892905 7.428131 
4.885803 
1 1 1 2   -24 7  o 21.96007 4.473178  106.7507       43.97096 127.1344       
61.60011 85.57502       62.78550 23.81547 6.126826 20.10467 6.519149 3.710798 
8.946357 
1 1 1 2   -24 8  o 77.83698 3.235623  1271.332       99.85094 1223.478       
121.5379 1370.705       175.1405 75.84618 3.816798 79.82777 5.225810 -3.981598 
6.471247 
1 1 1 2   -24 9  o 17.88602 5.097385  27.87080       59.76438 -6.773124      
79.35161 73.28187       90.84962 15.27962 6.641723 20.49242 7.734395 -5.212793 
10.19477 
1 1 1 2   -24 10 o 30.51107 4.796122  203.3317       62.31719 123.5104       
82.60437 308.7655       94.93656 23.49265 7.463669 37.52949 6.025344 -14.03684 
9.592243 
1 1 1 2   -24 11 o 39.79343 3.796375  345.9383       63.06831 394.2690       
90.62094 300.5399       87.82870 42.57352 5.070025 37.01333 5.651963 5.560184 
7.592749 
1 1 1 2   -24 12 o 53.82393 3.266568  631.0698       73.40252 706.6180       
103.9341 555.8907       103.6800 57.15677 4.331233 50.49109 4.891042 6.665676 
6.533136 
1 1 1 2   -24 13 f 24.25941 4.157739  156.6316       48.75104 12.04477       
87.20341 222.3640       58.79753 16.53406 7.069291 31.98475 4.378619 -15.45069 
8.315478 
1 1 1 2   -24 14 o 52.78318 2.753504  591.1299       59.23211 654.6731       
98.07076 554.6391       74.31838 54.80898 4.261956 50.75738 3.487531 4.051594 
5.507008 
1 1 1 2   -24 15 o 39.16931 3.799710  387.0982       51.99355 252.5795       
90.33114 453.7446       63.58204 32.43795 6.845807 45.90068 3.299411 -13.46273 
7.599420 
1 1 1 2   -24 16 o 44.43772 3.217454  427.6380       57.09739 471.4443       
98.87599 405.7219       69.93667 45.77635 5.144827 43.09910 3.865074 2.677250 
6.434908 
1 1 1 2   -24 17 o 58.73333 2.894177  769.2933       69.18011 735.8160       
110.7615 790.7065       88.58387 57.27552 4.606181 60.19113 3.505445 -2.915607 
5.788354 
1 1 1 2   -24 18 o 19.58918 5.031021  93.79932       56.36429 33.03345       
98.09887 123.7459       68.86644 17.20043 7.429255 21.97794 6.786077 -4.777514 
10.06204 
1 1 1 2   -23 0  o 63.76959 2.276656  853.4774       60.49859 834.9216       
80.39045 877.7110       91.86995 62.98307 3.040197 64.55611 3.389668 -1.573036 
4.553312 
1 1 1 2   -23 1  o 97.88544 2.270704  2017.716       93.21751 2015.875       
134.9345 2019.397       128.9294 97.83562 3.285089 97.93525 3.135695 
-0.9963226E-01 4.541409 
1 1 1 2   -23 2  o 58.77560 2.390671  720.3802       58.56120 669.0949       
77.34545 789.2736       89.64528 56.35699 3.268948 61.19422 3.489298 -4.837231 
4.781341 
1 1 1 2   -23 3  o 81.97591 2.276209  1406.795       77.80094 1341.324       
103.1813 1493.069       118.4457 79.79343 3.080029 84.15838 3.352301 -4.364952 
4.552417 
1 1 1 2   -23 4  o 80.75271 2.227044  1374.897       75.45332 1439.348       
107.1457 1311.492       106.2738 82.63693 3.088316 78.86848 3.209548 3.768448 
4.454087 
1 1 1 2   -23 5  o 129.4856 2.660643  3551.872       137.0140 3569.205       
168.8997 3518.512       234.3128 130.0925 3.092413 128.8787 4.330481 1.213882 
5.321286 
1 1 1 2   -23 6  o 58.45484 2.381049  717.4539       58.13922 623.2469       
79.22030 827.4227       85.59133 54.30900 3.474447 62.60068 3.256655 -8.291679 
4.762099 
1 1 1 2   -23 7  o 48.46340 2.562182  497.3619       51.88208 500.7114       
70.16523 493.3214       77.06369 48.66327 3.434328 48.26353 3.803223 0.3997345 
5.124364 
1 1 1 2   -23 8  o 42.14390 2.882096  380.3683       49.17787 259.6732       
67.60426 516.0160       71.66969 34.91322 4.612169 49.37459 3.457428 -14.46137 
5.764192 
1 1 1 2   -23 9  o 45.78459 2.743122  438.0875       52.15593 540.5561       
79.12585 359.3622       69.35534 50.46143 3.734908 41.10775 4.018623 9.353683 
5.486243 
1 1 1 2   -23 10 o 84.10899 3.500817  1458.975       116.0559 1697.012       
209.0974 1352.997       139.5191 88.59132 5.621841 79.62666 4.173460 8.964653 
7.001633 
1 1 1 2   -23 11 o 42.26590 3.611871  386.0333       64.07804 394.2897       
90.51535 377.7386       90.72508 42.73370 5.045135 41.79810 5.170015 0.9355965 
7.223742 
1 1 1 2   -23 12 o 78.70142 2.973063  1324.698       97.91611 1265.666       
132.2172 1396.396       145.7130 76.81134 4.099998 80.59151 4.306557 -3.780167 
5.946126 
1 1 1 2   -23 13 o 29.77025 4.287103  199.4245       49.97231 201.3365       
86.37126 198.4623       61.26844 29.32379 7.084633 30.21671 4.829595 
-0.8929157     8.574206 
1 1 1 2   -23 14 o 19.15839 4.939371  71.41196       50.76249 83.62298       
80.78804 63.44572       65.25265 20.25939 7.350143 18.05738 6.600374 2.202009 
9.878742 
1 1 1 2   -23 15 o 69.41191 2.627975  996.4998       72.82567 1179.037       
128.1043 909.3395       88.52116 73.68779 4.140849 65.13602 3.237031 8.551765 
5.255949 
1 1 1 2   -23 16 o 25.13967 4.765983  122.8429       50.46509 248.9968       
93.20738 70.52487       60.02410 32.12730 7.099884 18.15203 6.360034 13.97527 
9.531966 
1 1 1 2   -23 17 o 35.70659 4.097831  301.6743       55.61417 270.9977       
94.58278 317.8851       68.75584 33.40797 6.971402 38.00521 4.309109 -4.597248 
8.195662 
1 1 1 2   -23 18 o 19.46450 5.088765  67.41405       51.92149 135.8194       
95.44400 38.66162       61.87867 23.29263 8.033375 15.63637 6.248759 7.656269 
10.17753 
1 1 1 2   -23 19 o 30.29388 5.463203  247.3825       61.89409 227.2408       
141.1558 252.1769       68.86758 27.46073 9.739976 33.12702 4.951691 -5.666290 
10.92641 
1 1 1 2   -22 0  o 17.53717 4.386954  51.02099       40.71832 27.96752       
53.23830 83.51360       63.20456 14.92301 5.847214 20.15133 6.541524 -5.228324 
8.773908 
1 1 1 2   -22 1  o 150.8249 2.449520  4801.955       154.1165 4896.783       
207.7454 4685.893       229.8314 152.5148 3.244447 149.1350 3.670717 3.379761 
4.899040 
1 1 1 2   -22 2  o 171.7227 2.569721  6194.054       181.3904 6304.996       
288.6002 6121.611       233.2111 172.9282 3.975136 170.5173 3.257631 2.410873 
5.139442 
1 1 1 2   -22 3  o 133.7184 2.512907  3790.538       135.2448 3851.080       
169.4958 3684.444       224.3766 135.2697 2.984554 132.1670 4.043667 3.102661 
5.025814 
1 1 1 2   -22 4  f 99.55915 2.492281  2048.932       99.60094 1958.476       
122.6727 2223.914       170.6188 96.44835 3.029523 102.6700 3.958263 -6.221603 
4.984562 
1 1 1 2   -22 5  o 87.28618 2.248966  1606.066       80.39507 1608.754       
102.9932 1601.874       128.6221 87.41569 2.806341 87.15668 3.515086 0.2590103 
4.497931 
1 1 1 2   -22 6  o 67.25091 2.361261  962.2475       65.41386 1001.466       
85.68534 907.4597       101.2751 68.94189 2.960359 65.55992 3.679469 3.381973 
4.722523 
1 1 1 2   -22 7  o 84.49875 2.293356  1508.858       81.18468 1619.364       
114.6844 1397.857       114.9410 87.62122 3.117568 81.37629 3.364327 6.244926 
4.586712 
1 1 1 2   -22 8  o 33.15748 3.639311  241.4576       48.53060 199.1542       
70.65093 279.2501       66.77796 30.03647 5.809975 36.27848 4.384349 -6.242008 
7.278621 
1 1 1 2   -22 9  o 16.36925 4.430783  37.73809       42.48062 56.26707       
64.66992 23.67454       56.34095 17.90182 6.568166 14.83669 5.948660 3.065136 
8.861567 
1 1 1 2   -22 10 o 66.04782 2.408597  916.5757       66.04866 879.3002       
86.43353 968.8904       102.3959 64.47990 3.192853 67.61573 3.607082 -3.135826 
4.817194 
1 1 1 2   -22 11 o 32.20414 3.926890  231.5984       49.11498 242.1879       
61.36666 212.7263       81.92259 33.69247 4.338311 30.71580 6.546825 2.976671 
7.853780 
1 1 1 2   -22 12 o 52.73704 3.362324  582.3065       73.37323 470.1466       
96.00905 739.7949       113.7674 46.75112 4.891490 58.72295 4.614566 -11.97183 
6.724649 
1 1 1 2   -22 13 o 108.3493 2.996528  2510.256       133.4624 2558.405       
212.1761 2478.732       171.6798 108.9766 4.637503 107.7219 3.796088 1.254738 
5.993056 
1 1 1 2   -22 14 o 20.42140 4.818344  88.38840       49.81678 57.21646       
71.42028 117.9247       69.52122 18.10203 6.850160 22.74077 6.777983 -4.638737 
9.636687 
1 1 1 2   -22 15 o 68.43152 2.433780  995.8336       66.01000 1022.499       
114.5418 982.5738       80.77178 68.89877 3.959803 67.96426 2.830741 0.9345016 
4.867559 
1 1 1 2   -22 16 o 24.95590 4.524829  117.6526       47.40533 245.5838       
86.88985 63.43458       56.56564 32.38460 6.619421 17.52720 6.170864 14.85740 
9.049658 
1 1 1 2   -22 17 o 62.24434 3.633857  879.0738       79.23976 822.9624       
162.2666 896.6446       90.80270 59.92624 6.449606 64.56244 3.349962 -4.636204 
7.267714 
1 1 1 2   -22 18 o 42.63464 4.455614  363.4346       68.94960 545.4438       
148.6899 313.5759       77.82254 47.76075 7.415345 37.50853 4.941928 10.25222 
8.911228 
1 1 1 2   -22 19 o 22.72142 5.908006  68.50079       65.32364 252.6703       
143.0793 20.00298       73.42251 30.01295 9.842498 15.42988 6.537841 14.58307 
11.81601 
1 1 1 2   -22 20 o 31.27683 5.202819  320.1644       69.92181 84.13441       
156.5502 378.9834       78.14999 21.60917 9.359957 40.94449 4.546263 -19.33532 
10.40564 
1 1 1 2   -22 21 o 22.85107 5.987620  99.56516       64.77235 260.1945       
143.9523 58.78821       72.52934 28.58918 9.865265 17.11295 6.788440 11.47623 
11.97524 
1 1 1 2   -21 0  o 190.6650 3.065169  7643.330       244.3546 7957.417       
365.2533 7388.870       328.7597 194.1647 4.480691 187.1654 4.183832 6.999329 
6.130338 
1 1 1 2   -21 1  f 24.05653 3.489605  133.6878       41.66568 255.6353       
56.24699 -14.59617      62.02403 34.82606 3.846945 13.28700 5.823262 21.53906 
6.979210 
1 1 1 2   -21 2  o 193.8346 3.048622  7973.512       214.5496 8020.914       
248.0182 7832.571       427.6661 195.2319 3.025896 192.4373 5.293425 2.794601 
6.097244 
1 1 1 2   -21 3  o 104.6247 2.352621  2288.815       96.25544 2261.566       
116.2421 2348.260       171.6885 103.6962 2.670064 105.5532 3.874281 -1.856918 
4.705241 
1 1 1 2   -21 4  o 200.1014 3.181374  8370.944       264.8311 9033.024       
408.4311 7890.648       347.8712 206.8111 4.703986 193.3916 4.284517 13.41946 
6.362749 
1 1 1 2   -21 5  o 18.77573 4.411033  67.75375       41.71375 41.01575       
57.78437 96.85020       60.27898 16.32997 6.166895 21.22150 6.308585 -4.891529 
8.822065 
1 1 1 2   -21 6  o 95.86532 2.263516  1932.380       90.95103 1781.800       
126.1071 2095.613       131.2982 91.97316 3.265875 99.75748 3.134978 -7.784317 
4.527033 
1 1 1 2   -21 7  o 25.07801 4.281679  134.2458       44.99307 186.8689       
68.90488 95.13123       59.40617 29.15033 5.836296 21.00570 6.266479 8.144629 
8.563358 
1 1 1 2   -21 8  o 105.9537 2.270872  2367.978       100.9841 2311.107       
143.2586 2424.147       142.3717 104.6816 3.259654 107.2258 3.162609 -2.544189 
4.541744 
1 1 1 2   -21 9  f 127.9723 2.403337  3473.721       127.8923 3336.399       
192.5363 3582.156       171.0910 125.6407 3.650088 130.3038 3.127456 -4.663147 
4.806674 
1 1 1 2   -21 10 o 70.32166 2.545153  1014.895       72.49670 935.8981       
89.84219 1162.341       122.7422 66.56956 3.214591 74.07376 3.946850 -7.504196 
5.090306 
1 1 1 2   -21 11 o 14.90197 4.339453  11.44721       45.52889 40.10103       
60.09526 -27.15766      69.75415 16.32858 6.252919 13.47537 6.018672 2.853215 
8.678905 
1 1 1 2   -21 12 o 73.35359 2.507703  1127.445       75.61452 1078.140       
96.58627 1205.505       121.5306 71.36992 3.223452 75.33726 3.842350 -3.967339 
5.015406 
1 1 1 2   -21 13 o 74.22341 2.443175  1157.489       71.64265 1205.882       
125.6501 1134.179       87.20717 75.22395 3.978576 73.22287 2.836786 2.001083 
4.886350 
1 1 1 2   -21 14 o 30.83675 3.950615  203.6109       49.37924 268.9068       
77.09698 158.1949       64.29815 35.24463 5.210332 26.42887 5.939855 8.815758 
7.901230 
1 1 1 2   -21 15 o 49.72337 3.526774  534.0558       63.01265 541.2855       
127.8506 531.7361       72.41935 49.52108 6.149415 49.92566 3.455031 
-0.4045715     7.053548 
1 1 1 2   -21 16 o 20.88836 5.312160  91.33934       54.86733 50.70871       
118.0882 102.5256       61.96164 20.53981 8.470572 21.23690 6.412924 
-0.6970978     10.62432 
1 1 1 2   -21 17 o 45.81882 3.885449  374.2383       63.63662 664.8300       
144.0172 303.7355       70.93750 54.30209 6.317119 37.33556 4.525581 16.96653 
7.770899 
1 1 1 2   -21 18 o 34.33281 5.140010  354.5689       68.45168 120.9018       
136.2515 433.4572       79.16784 24.07151 9.370064 44.59412 4.228558 -20.52261 
10.28002 
1 1 1 2   -21 19 o 52.88487 4.327380  683.9754       80.36566 548.7078       
155.2301 733.5081       93.93446 47.71211 7.749405 58.05764 3.853777 -10.34552 
8.654760 
1 1 1 2   -21 20 f 38.26065 5.434859  348.7502       75.11185 398.0556       
150.9099 332.5134       86.60085 38.28841 9.436249 38.23288 5.395183 
0.5553055E-01  10.86972 
1 1 1 2   -21 21 o 33.55843 5.869509  253.7260       68.44972 411.6821       
158.3178 217.4104       75.91162 37.39259 9.919510 29.72426 6.277569 7.668331 
11.73902 
1 1 1 2   -21 22 o 24.14493 6.134584  80.37814       68.71455 360.8061       
160.7710 17.70100       76.00665 33.22317 10.39090 15.06669 6.523930 18.15648 
12.26917 
1 1 1 2   -20 0  o 164.4638 2.531262  5773.161       170.8318 6116.940       
223.3732 5288.771       265.1477 170.5034 3.120464 158.4243 3.986459 12.07910 
5.062524 
1 1 1 2   -20 1  o 143.8803 2.458598  4274.896       132.2854 4177.621       
154.3051 4544.641       256.9540 140.9490 2.607589 146.8116 4.168848 -5.862610 
4.917196 
1 1 1 2   -20 2  o 130.7197 2.373352  3558.456       126.9076 3769.236       
206.5325 3430.595       160.8580 133.7560 3.677869 127.6835 3.000745 6.072487 
4.746704 
1 1 1 2   -20 3  o 148.5154 2.748811  4656.975       158.6956 4669.636       
191.3820 4629.110       283.9230 148.9560 3.060301 148.0748 4.567100 0.8812103 
5.497622 
1 1 1 2   -20 4  o 111.7759 2.320364  2638.668       108.4766 2752.375       
149.1692 2511.048       158.0324 114.3566 3.106984 109.1953 3.447174 5.161301 
4.640728 
1 1 1 2   -20 5  o 75.64111 2.196072  1209.242       69.44527 1299.197       
96.53272 1112.749       99.97878 78.58011 2.926058 72.70213 3.275531 5.877983 
4.392143 
1 1 1 2   -20 6  o 47.20649 2.743341  474.2502       53.46986 576.4270       
75.95525 373.8692       75.28481 52.31586 3.458163 42.09713 4.259670 10.21873 
5.486682 
1 1 1 2   -20 7  o 162.7817 2.597043  5394.243       144.1565 5914.512       
322.6711 5264.505       161.1310 167.3370 4.592922 158.2264 2.425612 9.110641 
5.194086 
1 1 1 2   -20 8  o 89.02606 2.232230  1690.745       82.31934 1862.011       
111.6737 1486.939       121.8213 94.05618 2.828035 83.99594 3.454507 10.06023 
4.464459 
1 1 1 2   -20 9  o 134.1301 3.252253  3632.440       157.2104 3476.604       
179.0686 4156.420       328.3546 128.4118 3.321511 139.8484 5.592510 -11.43661 
6.504506 
1 1 1 2   -20 10 o 35.72732 3.653213  271.8750       53.98904 274.6372       
70.77603 268.0307       83.49470 35.98436 4.684825 35.47027 5.606805 0.5140953 
7.306426 
1 1 1 2   -20 11 o 123.9329 3.324931  3310.595       156.0351 3376.224       
185.5145 3151.898       288.4792 126.3962 3.495946 121.4695 5.656768 4.926735 
6.649862 
1 1 1 2   -20 12 o 74.48419 2.834197  1147.203       87.21114 1021.481       
111.8095 1342.523       139.3633 69.43451 3.835521 79.53387 4.173663 -10.09937 
5.668393 
1 1 1 2   -20 13 o 21.46318 5.016599  98.35017       48.06630 63.59966       
104.5250 107.6694       54.12906 20.95057 8.196321 21.97579 5.786656 -1.025215 
10.03320 
1 1 1 2   -20 14 o 27.60146 5.211455  178.2529       60.32870 145.6769       
103.8028 194.8688       74.13472 25.76139 8.383425 29.44153 6.193161 -3.680132 
10.42291 
1 1 1 2   -20 15 o 28.35484 5.078587  191.4212       57.11631 156.2321       
107.9488 205.1027       67.31000 26.37741 8.547611 30.33227 5.486942 -3.954859 
10.15717 
1 1 1 2   -20 16 f 80.58035 3.171888  1391.122       100.4717 1420.568       
176.7943 1377.076       122.1060 80.84875 5.208539 80.31195 3.621412 0.5367966 
6.343777 
1 1 1 2   -20 17 o 37.60482 5.026655  339.0190       63.57723 298.8033       
134.8318 350.5171       72.09528 34.90837 9.105663 40.30127 4.260977 -5.392899 
10.05331 
1 1 1 2   -20 18 f 43.12588 5.297589  493.2096       76.93123 323.9001       
149.4246 554.2752       89.73869 35.67635 9.715766 50.57541 4.226311 -14.89906 
10.59518 
1 1 1 2   -20 19 o 30.95122 5.806851  219.3921       70.56155 287.4136       
134.9489 193.7975       82.77902 33.45868 9.285345 28.44377 6.975704 5.014912 
11.61370 
1 1 1 2   -20 20 o 22.74410 5.963974  118.3187       72.46298 55.18857       
152.6137 136.6939       82.33619 21.73818 9.325052 23.75002 7.437696 -2.011843 
11.92795 
1 1 1 2   -20 21 o 29.40088 6.035855  185.6962       73.24673 351.2532       
143.2276 127.0637       85.23580 36.00540 9.381660 22.79637 7.596751 13.20903 
12.07171 
1 1 1 2   -20 22 o 41.79785 5.463938  452.0656       82.26330 433.1832       
156.7427 459.2440       96.64313 38.86810 9.640096 44.72760 5.146553 -5.859501 
10.92788 
1 1 1 2   -20 23 o 18.15753 8.432329  -18.96186      154.5538 -18.96186      
154.5538 0.000000       0.000000 18.15753 8.432329 ?        ?        ? ? 
1 1 1 2   -19 0  o 225.4928 3.868029  10735.31       366.0839 11070.73       
519.5947 10404.69       515.8671 229.0058 5.404297 221.9798 5.535355 7.026047 
7.736057 
1 1 1 2   -19 1  o 97.53241 2.169723  2013.095       85.96365 2051.075       
109.1722 1951.123       139.4550 98.77587 2.632585 96.28895 3.449679 2.486923 
4.339446 
1 1 1 2   -19 2  o 211.8145 3.548990  9475.396       288.3438 9479.904       
343.9954 9464.743       528.7491 212.1470 3.862219 211.4819 5.955215 0.6650848 
7.097980 
1 1 1 2   -19 3  o 78.73289 2.101896  1314.050       66.22598 1337.902       
82.46776 1270.733       111.1346 79.77379 2.462323 77.69199 3.407173 2.081795 
4.203791 
1 1 1 2   -19 4  f 98.47771 2.089628  2001.748       84.69427 2231.238       
136.5648 1858.315       107.9647 102.9608 3.159277 93.99458 2.735900 8.966255 
4.179255 
1 1 1 2   -19 5  o 96.86282 2.268866  1997.233       90.80275 2123.711       
120.6211 1831.818       137.9442 100.4697 2.859624 93.25591 3.523288 7.213821 
4.537732 
1 1 1 2   -19 6  o 139.8845 2.610300  4169.793       150.9707 4453.036       
201.2184 3804.995       228.3569 145.4338 3.295517 134.3351 4.048979 11.09863 
5.220600 
1 1 1 2   -19 7  o 192.8836 3.182044  7941.973       227.3375 8046.026       
266.0897 7660.732       437.4611 195.5019 3.241889 190.2653 5.476473 5.236633 
6.364087 
1 1 1 2   -19 8  o 227.7797 5.276907  10700.66       342.9137 10572.37       
367.5153 11563.77       953.2744 223.9424 3.908950 231.6170 9.803219 -7.674545 
10.55381 
1 1 1 2   -19 9  o 74.50600 2.703114  1180.316       83.65887 1254.984       
112.7603 1088.892       124.7726 77.17754 3.480056 71.83444 4.137211 5.343102 
5.406228 
1 1 1 2   -19 10 o 98.15997 2.811150  2028.375       113.1169 2007.525       
144.7428 2061.090       181.3055 97.57243 3.533385 98.74751 4.373266 -1.175087 
5.622301 
1 1 1 2   -19 11 o 116.4664 3.547969  2861.538       161.3650 2832.399       
194.7988 2925.256       288.0567 115.7553 4.008356 117.1775 5.855376 -1.422173 
7.095939 
1 1 1 2   -19 12 o 28.29333 5.206145  190.3479       67.03884 79.26421       
107.4808 261.0817       85.76680 22.15687 8.397881 34.42979 6.155599 -12.27292 
10.41229 
1 1 1 2   -19 13 o 94.27156 3.238282  1859.690       113.5324 1953.189       
221.5127 1826.378       132.2192 95.58751 5.519740 92.95561 3.387972 2.631897 
6.476564 
1 1 1 2   -19 14 o 76.00682 3.001008  1264.888       88.63759 1126.205       
153.7146 1333.973       108.4915 72.59447 5.043506 79.41917 3.253805 -6.824699 
6.002016 
1 1 1 2   -19 15 o 56.13295 3.027482  684.3618       66.93269 633.8033       
114.4420 710.6473       82.51748 54.36669 5.013877 57.89921 3.394645 -3.532516 
6.054964 
1 1 1 2   -19 16 o 46.41205 3.739331  442.1969       65.77332 520.6229       
127.4348 413.7181       76.79239 48.82509 6.216786 43.99900 4.157157 4.826092 
7.478662 
1 1 1 2   -19 17 o 35.96367 5.195403  299.1546       63.65184 285.9364       
138.4370 302.6981       71.67773 34.44016 9.339546 37.48719 4.554308 -3.047031 
10.39081 
1 1 1 2   -19 18 o 20.80680 5.327006  86.55757       64.77143 -44.37735      
127.4567 132.1445       75.20644 17.68598 8.006746 23.92762 7.028512 -6.241642 
10.65401 
1 1 1 2   -19 19 o 35.68180 5.395775  342.2499       72.22559 204.4858       
138.7369 393.4673       84.59267 28.90734 9.691990 42.45625 4.745830 -13.54891 
10.79155 
1 1 1 2   -19 20 o 19.88424 5.800217  36.85067       69.17584 115.2192       
138.8102 10.95702       79.78973 23.97266 9.428542 15.79582 6.758155 8.176835 
11.60043 
1 1 1 2   -19 21 o 26.69238 4.974317  189.9776       77.45792 -104.0523      
147.2861 302.3874       91.06850 16.94666 7.971040 36.43810 5.952969 -19.49144 
9.948633 
1 1 1 2   -19 22 o 40.84925 5.759895  401.4906       91.66638 508.3515       
157.7825 347.0466       112.6223 44.24483 8.806573 37.45366 7.426293 6.791168 
11.51979 
1 1 1 2   -19 23 o 19.89983 8.753942  42.58784       141.2356 0.000000       
0.000000 42.58784       141.2356 ?        ?        19.89983 8.753942 ? ? 
1 1 1 2   -19 24 o 38.89730 6.174448  472.2394       95.19329 330.6596       
178.7802 528.2625       112.4611 30.76927 10.95662 47.02533 5.696283 -16.25606 
12.34890 
1 1 1 2   -18 0  o 203.1593 2.833085  8661.057       239.1061 8524.251       
314.9249 8847.257       367.4025 201.3034 3.726292 205.0153 4.268517 -3.711884 
5.666170 
1 1 1 2   -18 1  o 117.7573 2.180114  2931.809       106.4533 3029.819       
141.3116 2803.208       161.8693 120.0615 2.803465 115.4531 3.339487 4.608353 
4.360228 
1 1 1 2   -18 2  o 47.14523 2.378530  467.1588       46.78366 464.2216       
62.65491 470.8597       70.33292 46.98311 3.176394 47.30735 3.541205 
-0.3242416     4.757059 
1 1 1 2   -18 3  o 72.66974 2.056692  1092.407       61.74719 1016.366       
79.40969 1208.694       98.20047 69.53089 2.720300 75.80858 3.085434 -6.277687 
4.113385 
1 1 1 2   -18 4  o 119.5609 2.513254  2987.641       125.1917 3177.260       
191.3803 2845.808       165.5178 122.8379 3.710957 116.2838 3.390365 6.554047 
5.026507 
1 1 1 2   -18 5  f 71.83448 2.147584  1083.465       64.69883 1136.493       
94.16605 1036.048       89.04453 73.49516 3.051804 70.17380 3.022410 3.321365 
4.295168 
1 1 1 2   -18 6  o 229.6892 3.736632  10813.29       234.7841 10706.35       
249.8647 11619.84       686.1998 225.6276 2.637750 233.7507 6.992278 -8.123108 
7.473264 
1 1 1 2   -18 7  o 259.7848 5.114426  14324.78       545.9607 14147.72       
701.6270 14596.53       869.2302 258.1231 6.474414 261.4465 7.919050 -3.323395 
10.22885 
1 1 1 2   -18 8  o 291.8466 6.700559  18386.65       801.6397 18674.81       
1033.533 17951.50       1270.051 295.5125 8.330466 288.1806 10.49730 7.331909 
13.40112 
1 1 1 2   -18 9  o 85.30399 2.585209  1508.577       86.00166 1468.621       
103.2680 1599.008       155.3573 83.54462 2.944208 87.06336 4.250278 -3.518738 
5.170418 
1 1 1 2   -18 10 o 146.1635 3.660041  4527.562       224.1434 4692.207       
311.0933 4349.821       323.2281 148.9749 4.973917 143.3522 5.370638 5.622787 
7.320082 
1 1 1 2   -18 11 o 38.35759 4.390343  318.2106       65.95615 315.6581       
110.0198 319.6425       82.40607 37.85787 7.182220 38.85730 5.051352 
-0.9994316     8.780686 
1 1 1 2   -18 12 o 168.8365 4.719929  6069.806       291.1649 6136.521       
577.7422 6047.092       337.1053 168.7181 8.156306 168.9549 4.752429 
-0.2368469     9.439857 
1 1 1 2   -18 13 o 126.9311 3.811921  3428.699       165.8159 3432.696       
359.7800 3427.621       186.8429 126.4603 6.776474 127.4018 3.493189 
-0.9414520     7.623842 
1 1 1 2   -18 14 o 51.63582 3.150936  536.9720       60.04502 628.1757       
121.5008 507.4995       69.06875 54.26112 5.333490 49.01052 3.356706 5.250595 
6.301872 
1 1 1 2   -18 15 o 81.56870 2.978678  1450.029       88.18468 1339.539       
172.7848 1488.947       102.5459 79.15860 5.199105 83.97881 2.908504 -4.820206 
5.957355 
1 1 1 2   -18 16 o 26.52345 4.938425  131.5366       51.61782 237.6723       
101.2763 94.29076       59.99505 32.28227 7.591468 20.76464 6.318366 11.51764 
9.876849 
1 1 1 2   -18 17 o 60.11170 3.579704  726.8188       73.91209 871.0741       
166.4718 691.4000       82.48833 63.17340 6.276645 57.05000 3.443959 6.123405 
7.159408 
1 1 1 2   -18 18 o 43.65352 4.778400  427.4697       72.96169 428.0896       
145.8793 427.2629       84.25738 42.74430 8.429133 44.56274 4.503572 -1.818443 
9.556801 
1 1 1 2   -18 19 o 62.94018 4.185962  915.0127       97.48276 779.8524       
179.6581 971.4107       116.0523 58.68916 7.291384 67.19121 4.113981 -8.502052 
8.371924 
1 1 1 2   -18 20 o 69.81474 3.636418  1058.582       97.21710 1099.985       
179.5748 1041.416       115.6270 70.14295 6.097930 69.48653 3.963508 0.6564255 
7.272836 
1 1 1 2   -18 21 f 33.58473 5.929548  264.9775       75.74093 314.4663       
148.9328 247.7130       87.96571 34.75567 9.790381 32.41379 6.692280 2.341885 
11.85910 
1 1 1 2   -18 22 o 39.24243 10.05334  414.3878       166.3733 414.3878       
166.3733 0.000000       0.000000 39.24243 10.05334 ?        ?        ? ? 
1 1 1 2   -18 23 o 22.56769 6.311581  80.09592       77.80866 200.4275       
159.5481 42.54661       89.12570 27.39893 10.26963 17.73646 7.340232 9.662476 
12.62316 
1 1 1 2   -18 24 o 50.57488 5.663837  662.3051       107.9071 642.6011       
187.1543 672.1171       132.0692 47.73262 9.676560 53.41714 5.889007 -5.684521 
11.32767 
1 1 1 2   -18 25 o 44.10245 6.574863  545.2371       112.5909 637.8340       
195.4406 499.2414       137.7448 45.08113 10.51008 43.12377 7.902759 1.957367 
13.14973 
1 1 1 2   -17 0  o 45.51092 2.598921  431.1263       48.99454 410.4576       
63.62311 461.2424       76.79951 44.18871 3.429451 46.83313 3.905947 -2.644421 
5.197842 
1 1 1 2   -17 1  o 50.19141 2.268799  533.1165       47.46347 571.5482       
64.95278 489.0804       69.52747 52.15043 2.966613 48.23240 3.433512 3.918034 
4.537599 
1 1 1 2   -17 2  o 129.9546 2.228189  3548.070       121.2760 3578.577       
178.1445 3521.719       165.5657 130.4690 3.252267 129.4402 3.046649 1.028839 
4.456378 
1 1 1 2   -17 3  o 348.0751 4.758832  25254.97       665.5051 26840.26       
1132.441 24418.64       822.5268 355.9722 7.577406 340.1779 5.759238 15.79434 
9.517663 
1 1 1 2   -17 4  o 44.78855 2.448878  419.7733       45.92443 389.9732       
62.28178 455.2823       67.98643 43.05614 3.445458 46.52096 3.480925 -3.464817 
4.897757 
1 1 1 2   -17 5  o 37.37350 2.946857  309.8586       43.72401 363.3313       
56.83660 232.3310       68.43681 41.55902 3.257496 33.18798 4.911679 8.371033 
5.893714 
1 1 1 2   -17 6  o 121.9395 2.883619  3064.251       136.7767 2956.231       
163.5720 3315.350       249.3899 118.5257 3.287133 125.3533 4.738753 -6.827599 
5.767237 
1 1 1 2   -17 7  o 103.8322 2.593229  2251.401       112.4686 2084.857       
150.0694 2464.804       169.8748 99.49612 3.592586 108.1682 3.740677 -8.672104 
5.186457 
1 1 1 2   -17 8  o 83.87976 2.584300  1488.937       90.06965 1532.724       
120.1269 1432.713       136.1229 85.31860 3.353650 82.44091 3.932869 2.877693 
5.168600 
1 1 1 2   -17 9  o 51.24953 3.450541  535.2770       71.99353 634.8077       
120.8380 480.5060       89.63968 54.78559 5.253614 47.71346 4.474870 7.072128 
6.901082 
1 1 1 2   -17 10 o 247.4881 7.198128  13273.56       677.6669 13073.26       
1251.540 13356.65       806.0532 244.7079 12.18198 250.2682 7.671479 -5.560272 
14.39626 
1 1 1 2   -17 11 f 22.08402 5.401681  95.07661       61.80709 54.21154       
100.4326 119.9879       78.41465 20.48572 8.030216 23.68231 7.226912 -3.196590 
10.80336 
1 1 1 2   -17 12 o 76.58250 3.414160  1253.367       108.5729 1085.995       
157.6872 1404.240       149.7135 71.61924 5.244304 81.54575 4.373013 -9.926514 
6.828321 
1 1 1 2   -17 13 o 226.0693 5.970037  11181.98       450.3124 10741.80       
998.6214 11294.34       504.5193 221.3763 10.74462 230.7624 5.207554 -9.386154 
11.94007 
1 1 1 2   -17 14 o 62.54084 3.132979  861.8052       76.59988 730.3086       
129.4187 932.7100       95.03368 58.60456 5.260011 66.47712 3.405073 -7.872559 
6.265958 
1 1 1 2   -17 15 o 44.03204 3.610158  426.3128       58.83685 383.6917       
111.0272 442.9558       69.37979 42.29402 6.252755 45.77005 3.610544 -3.476032 
7.220316 
1 1 1 2   -17 16 o 78.79338 2.740857  1313.268       88.53990 1329.610       
141.7038 1302.801       113.4013 79.11291 4.266339 78.47386 3.442027 0.6390457 
5.481715 
1 1 1 2   -17 17 f 35.84338 4.621234  333.6540       57.93700 185.9516       
108.0094 393.3208       68.64902 28.64848 8.425481 43.03828 3.799273 -14.38980 
9.242468 
1 1 1 2   -17 18 o 52.34069 3.641171  640.0701       69.86994 477.8536       
125.8798 712.2990       83.99698 46.77066 6.410670 57.91072 3.454823 -11.14005 
7.282341 
1 1 1 2   -17 19 o 40.43891 4.692893  334.1365       74.37005 441.9092       
138.1183 290.1315       88.25669 44.42876 7.404708 36.44905 5.767431 7.979710 
9.385785 
1 1 1 2   -17 20 o 56.40355 4.195986  666.1008       94.11694 818.2524       
167.7895 596.2518       113.6859 60.52970 6.602636 52.27740 5.179807 8.252293 
8.391973 
1 1 1 2   -17 21 o 53.77837 4.816666  652.8789       106.9050 674.6276       
168.0130 638.0836       138.5766 54.17288 7.387238 53.38385 6.183026 0.7890320 
9.633332 
1 1 1 2   -17 22 o 46.54541 5.262649  480.5891       102.8396 0.000000       
0.000000 480.5891       102.8396 ?        ?        46.54541 5.262649 ? ? 
1 1 1 2   -17 23 o 41.19842 5.679520  415.2294       84.94513 417.9174       
164.7547 414.2561       99.13790 39.50265 9.935898 42.89419 5.505064 -3.391541 
11.35904 
1 1 1 2   -17 24 o 33.87896 6.396152  299.8074       82.86786 316.2867       
176.8802 295.1732       93.79868 32.75862 10.94351 34.99930 6.624399 -2.240681 
12.79230 
1 1 1 2   -17 25 o 22.64760 6.560828  119.7621       98.03972 66.14851       
182.2635 141.5902       116.2975 21.93250 9.764262 23.36270 8.765674 -1.430201 
13.12166 
1 1 1 2   -17 26 o 37.74290 6.966134  385.8484       104.7395 615.8097       
195.2133 292.8876       124.1172 43.92744 10.67479 31.55836 8.953036 12.36908 
13.93227 
1 1 1 2   -16 0  o 20.12755 3.309959  64.24644       40.09497 187.3836       
55.25531 -72.69609      58.27048 29.85013 4.409089 10.40497 4.937941 19.44516 
6.619919 
1 1 1 2   -16 1  o 139.7462 2.455103  4034.618       140.1794 4400.218       
230.1727 3819.067       176.7362 144.6766 3.789454 134.8157 3.122526 9.860825 
4.910206 
1 1 1 2   -16 2  o 124.5849 2.370670  3251.483       123.5911 3389.174       
183.7693 3137.775       167.0001 126.9807 3.447119 122.1891 3.255406 4.791611 
4.741340 
1 1 1 2   -16 3  o 162.2736 2.960201  5522.591       201.3053 5819.928       
295.8282 5266.174       274.7197 166.3248 4.236465 158.2225 4.135640 8.102295 
5.920402 
1 1 1 2   -16 4  o 173.2359 2.750954  6365.472       191.4285 6128.919       
318.2488 6499.582       239.6246 170.6381 4.442340 175.8338 3.246013 -5.195633 
5.501907 
1 1 1 2   -16 5  o 149.4913 3.538746  4474.180       170.3846 4350.164       
186.9000 5084.328       414.5612 143.8471 3.094777 155.1355 6.365003 -11.28841 
7.077493 
1 1 1 2   -16 6  o 109.8349 2.951373  2600.513       130.7421 2788.341       
167.0642 2303.699       210.0132 115.1277 3.456406 104.5420 4.784943 10.58563 
5.902747 
1 1 1 2   -16 7  o 122.7679 3.273126  3134.737       160.9879 3038.111       
198.3718 3321.145       275.5285 120.1101 3.933881 125.4258 5.232399 -5.315605 
6.546253 
1 1 1 2   -16 8  o 75.11008 2.849269  1185.855       87.84615 1202.928       
140.2240 1174.825       112.7034 75.52441 4.422381 74.69576 3.593868 0.8286591 
5.698538 
1 1 1 2   -16 9  o 145.3689 4.384181  4487.220       267.1320 4622.941       
371.0627 4341.203       384.8793 147.7039 5.983791 143.0338 6.409245 4.670105 
8.768362 
1 1 1 2   -16 10 o 189.7914 5.672729  7695.149       451.5743 7689.873       
625.0692 7700.909       653.0974 189.7958 7.844451 189.7869 8.196584 
0.8926392E-02  11.34546 
1 1 1 2   -16 11 o 121.1665 4.024350  3083.662       201.6995 3251.689       
316.8868 2969.225       261.5148 123.8418 6.094780 118.4911 5.256921 5.350609 
8.048699 
1 1 1 2   -16 12 o 99.08919 3.749372  2077.382       155.7683 2070.229       
226.0058 2083.853       214.9865 98.90633 5.442727 99.27205 5.158284 
-0.3657227     7.498744 
1 1 1 2   -16 13 o 97.94511 3.342946  1974.231       105.6082 2111.539       
252.6826 1945.169       116.2483 99.74843 6.033791 96.14179 2.880021 3.606636 
6.685892 
1 1 1 2   -16 14 o 83.74609 2.796475  1503.379       96.11432 1357.797       
148.3684 1608.653       126.1669 80.14095 4.409689 87.35122 3.440309 -7.210266 
5.592950 
1 1 1 2   -16 15 o 108.9510 3.402308  2457.442       132.7182 2635.149       
275.6566 2403.818       151.4241 111.1670 5.906271 106.7350 3.379164 4.432045 
6.804615 
1 1 1 2   -16 16 o 53.26997 3.414395  623.9153       68.88055 553.6734       
124.8180 654.6733       82.59607 50.88438 5.842701 55.65556 3.534857 -4.771175 
6.828790 
1 1 1 2   -16 17 o 58.52703 3.117777  749.7182       69.46358 675.0157       
125.3149 782.8524       83.45892 56.19562 5.311551 60.85844 3.266427 -4.662823 
6.235553 
1 1 1 2   -16 18 o 54.45575 3.256257  635.5582       68.07157 626.0557       
124.0103 639.6562       81.43742 53.97906 5.472093 54.93243 3.531151 
-0.9533730     6.512513 
1 1 1 2   -16 19 o 32.49661 4.735853  229.1076       58.62680 267.0201       
106.3014 212.5349       70.28200 34.09539 7.619695 30.89783 5.626139 3.197556 
9.471705 
1 1 1 2   -16 20 o 85.50989 3.860624  1626.618       126.1935 1495.594       
226.5004 1685.597       151.9643 82.29826 6.555402 88.72151 4.079751 -6.423256 
7.721248 
1 1 1 2   -16 21 o 22.83281 9.182622  80.01962       134.8340 80.01962       
134.8340 0.000000       0.000000 22.83281 9.182622 ?        ?        ? ? 
1 1 1 2   -16 22 o 44.86919 5.247731  442.9795       98.85501 0.000000       
0.000000 442.9795       98.85501 ?        ?        44.86919 5.247731 ? ? 
1 1 1 2   -16 23 o 42.90149 4.981483  393.0297       78.54458 522.6288       
155.6957 348.7880       90.96848 46.24789 8.321893 39.55509 5.477843 6.692802 
9.962965 
1 1 1 2   -16 24 f 56.56000 4.372800  702.6054       103.8360 0.000000       
0.000000 702.6054       103.8360 ?        ?        56.56000 4.372800 ? ? 
1 1 1 2   -16 25 o 22.45237 6.502657  94.89556       90.04122 123.4986       
169.5152 83.65372       106.2727 24.27260 10.08887 20.63215 8.206882 3.640444 
13.00531 
1 1 1 2   -16 26 o 43.50009 6.643736  541.7960       110.2126 507.7328       
203.2767 555.9783       131.1645 39.16217 11.57177 47.83800 6.530770 -8.675827 
13.28747 
1 1 1 2   -16 27 o 18.10855 5.929953  -6.545129      101.3672 -43.15469      
187.6162 8.547415       120.4632 18.90231 8.921638 17.31479 7.814201 1.587521 
11.85991 
1 1 1 2   -15 0  o 233.1005 5.554238  11433.28       543.5588 0.000000       
0.000000 11433.28       543.5588 ?        ?        233.1005 5.554238 ? ? 
1 1 1 2   -15 1  o 46.89911 3.133683  462.0936       61.70191 462.0936       
61.70191 0.000000       0.000000 46.89911 3.133683 ?        ?        ? ? 
1 1 1 2   -15 2  o 150.0533 2.669297  4715.540       167.0621 4875.798       
252.8441 4591.366       222.5648 152.2987 3.954375 147.8079 3.586574 4.490723 
5.338595 
1 1 1 2   -15 3  o 276.5544 4.357765  16279.05       423.9957 16419.29       
483.4720 15811.95       882.3588 279.4427 4.120971 273.6661 7.679718 5.776611 
8.715529 
1 1 1 2   -15 4  o 149.7176 3.379699  4533.970       145.0851 4469.046       
155.4600 4972.256       403.9196 145.8581 2.538687 153.5771 6.264544 -7.718979 
6.759397 
1 1 1 2   -15 5  o 137.7468 3.002074  3965.695       172.8052 3736.062       
231.2305 4256.185       260.0709 133.2679 4.132763 142.2258 4.355465 -8.957855 
6.004149 
1 1 1 2   -15 6  o 82.82860 2.609291  1467.693       86.66407 1532.740       
108.9783 1355.787       142.9409 85.39366 3.039734 80.26354 4.241889 5.130119 
5.218583 
1 1 1 2   -15 7  o 73.99644 3.054568  1169.555       92.99843 1056.705       
142.4961 1253.286       122.7427 70.81598 4.792838 77.17691 3.788170 -6.360931 
6.109135 
1 1 1 2   -15 8  f 143.2237 3.981215  4333.793       215.1673 4328.570       
405.5156 4335.840       253.8484 142.9732 6.755756 143.4741 4.214266 
-0.5009155     7.962430 
1 1 1 2   -15 9  o 110.2164 3.533808  2588.911       161.1738 2397.137       
244.2623 2736.793       214.4962 106.5069 5.462603 113.9258 4.484546 -7.418892 
7.067616 
1 1 1 2   -15 10 o 114.4210 3.816201  2739.344       180.9954 2946.852       
283.2112 2596.079       235.3224 117.9938 5.717053 110.8482 5.056565 7.145615 
7.632401 
1 1 1 2   -15 11 o 92.15984 3.088800  1783.040       117.6433 1843.485       
184.6782 1741.761       152.6152 93.42878 4.708212 90.89088 3.999434 2.537895 
6.177599 
1 1 1 2   -15 12 o 149.0569 4.370796  4666.662       252.4859 4595.072       
302.4982 4831.089       458.4385 147.4767 4.885628 150.6371 7.248868 -3.160370 
8.741592 
1 1 1 2   -15 13 f 122.7124 2.836256  3202.963       143.9010 2995.343       
219.5125 3359.425       190.5587 119.1416 4.388508 126.2833 3.594215 -7.141655 
5.672511 
1 1 1 2   -15 14 o 82.53806 2.936286  1469.413       91.00026 1364.596       
169.6411 1511.761       107.8271 80.32784 5.030209 84.74827 3.030528 -4.420433 
5.872572 
1 1 1 2   -15 15 o 87.11281 3.088113  1563.872       102.2406 1697.876       
194.2403 1512.517       120.2462 89.51281 5.168627 84.71280 3.380987 4.800011 
6.176227 
1 1 1 2   -15 16 f 92.65344 2.928940  1829.193       101.7289 1785.451       
192.6043 1846.117       119.8029 91.71989 5.001768 93.58698 3.049110 -1.867088 
5.857880 
1 1 1 2   -15 17 o 62.48807 3.209835  777.2512       75.50298 947.1266       
149.2207 718.7939       87.53521 66.66073 5.331877 58.31541 3.575366 8.345318 
6.419669 
1 1 1 2   -15 18 o 44.67290 4.173007  486.0763       64.08988 325.6348       
116.3693 555.9294       76.78442 38.09297 7.544687 51.25283 3.568423 -13.15986 
8.346013 
1 1 1 2   -15 19 o 53.44146 3.478752  631.2036       69.32725 564.9260       
128.9718 658.1364       82.21536 51.15892 6.004745 55.72400 3.514243 -4.565079 
6.957504 
1 1 1 2   -15 20 o 49.71773 4.307707  523.4531       78.89353 568.4321       
156.8972 508.2319       91.27161 50.70408 7.370440 48.73137 4.461163 1.972706 
8.615414 
1 1 1 2   -15 21 o 41.17555 8.608329  399.4865       143.9849 0.000000       
0.000000 399.4865       143.9849 ?        ?        41.17555 8.608329 ? ? 
1 1 1 2   -15 22 o 80.91588 3.693179  1334.128       117.7238 1716.200       
215.6089 1171.842       140.5186 88.23418 5.820374 73.59757 4.547694 14.63661 
7.386357 
1 1 1 2   -15 23 o 39.94284 5.493999  339.8647       80.00748 479.3076       
159.9766 293.3540       92.39207 44.21915 8.929887 35.66654 6.402596 8.552612 
10.98800 
1 1 1 2   -15 24 o 60.55473 4.210806  780.2625       98.31322 950.7792       
185.5139 713.6713       115.9315 64.18854 6.883987 56.92093 4.851214 7.267605 
8.421613 
1 1 1 2   -15 25 o 27.45516 7.142106  180.0258       109.0986 269.5403       
168.2662 115.1031       143.3007 31.21481 10.67371 23.69551 9.492661 7.519300 
14.28421 
1 1 1 2   -15 26 o 46.24934 6.545695  608.5057       121.2146 392.5218       
189.1584 758.9923       157.8933 35.92177 11.27820 56.57691 6.647304 -20.65514 
13.09139 
1 1 1 2   -15 27 o 32.34430 7.302288  346.6324       120.0237 235.9748       
198.5634 410.3411       150.6634 27.17277 11.05738 37.51583 9.540855 -10.34306 
14.60458 
1 1 1 2   -14 0  o 179.7018 3.130105  6884.814       216.6596 7038.824       
260.6990 6540.926       389.5599 183.0456 3.392354 176.3581 5.261384 6.687531 
6.260210 
1 1 1 2   -14 1  o 273.7166 3.524951  15714.18       355.2072 15838.28       
698.2278 15670.85       412.5864 274.3305 6.062393 273.1027 3.598404 1.227844 
7.049902 
1 1 1 2   -14 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -14 3  o 128.9180 2.049607  3551.265       104.2789 3676.260       
128.5545 3310.790       178.3099 132.3077 2.314319 125.5283 3.383412 6.779434 
4.099213 
1 1 1 2   -14 4  o 138.8391 2.964274  3958.238       125.1840 3916.760       
135.8758 4191.116       321.9548 136.5625 2.369909 141.1157 5.434263 -4.553192 
5.928548 
1 1 1 2   -14 5  o 249.5100 5.637197  13235.46       498.2795 13310.68       
569.5063 12989.89       1028.982 251.4519 5.394668 247.5681 9.899977 3.883789 
11.27439 
1 1 1 2   -14 6  o 74.03287 3.075293  1159.865       94.98138 1069.158       
138.7228 1239.914       130.3187 71.28112 4.635477 76.78461 4.042532 -5.503494 
6.150587 
1 1 1 2   -14 7  o 179.7968 5.653744  6842.987       416.2999 6839.065       
666.2223 6845.499       533.2175 179.5908 8.836006 180.0028 7.055799 
-0.4119720     11.30749 
1 1 1 2   -14 8  o 220.0074 7.136453  10268.13       644.9093 10557.62       
1030.061 10081.50       827.0696 222.2155 11.04104 217.7992 9.044963 4.416245 
14.27291 
1 1 1 2   -14 9  o 133.8442 4.641287  3773.873       257.5716 3888.275       
399.3707 3692.397       337.0340 135.4997 7.020355 132.1888 6.072958 3.310898 
9.282575 
1 1 1 2   -14 10 o 194.4348 6.095750  8060.420       479.5436 8061.675       
791.0674 8059.689       602.9616 194.0420 9.710439 194.8277 7.371572 
-0.7856598     12.19150 
1 1 1 2   -14 11 o 176.0016 5.407038  6649.333       395.4285 6133.779       
588.5297 7073.609       533.8946 169.5207 8.269260 182.4825 6.968758 -12.96179 
10.81408 
1 1 1 2   -14 12 o 26.73230 5.395184  142.3772       64.83453 227.3520       
103.4948 87.48898       83.17879 32.01620 7.767762 21.44839 7.489587 10.56782 
10.79037 
1 1 1 2   -14 13 o 47.36098 3.431987  427.5632       60.23172 575.6497       
124.3790 382.1972       68.84219 52.13811 5.682153 42.58386 3.850621 9.554256 
6.863975 
1 1 1 2   -14 14 o 95.95320 3.282553  1912.337       120.3247 2020.488       
225.2340 1869.145       142.3380 97.70959 5.490574 94.19682 3.599197 3.512772 
6.565106 
1 1 1 2   -14 15 o 120.1129 2.968242  3030.147       147.5569 3124.978       
230.3578 2964.164       192.1534 121.6521 4.510291 118.5738 3.859939 3.078270 
5.936485 
1 1 1 2   -14 16 o 98.71695 3.053826  2016.579       116.3637 2166.609       
214.7427 1954.214       138.4525 101.1447 5.057040 96.28920 3.424872 4.855507 
6.107652 
1 1 1 2   -14 17 o 80.80591 3.137416  1391.822       95.88078 1360.623       
178.9816 1404.378       113.5480 80.01420 5.327977 81.59763 3.314540 -1.583427 
6.274832 
1 1 1 2   -14 18 o 184.7120 5.128181  7401.446       384.5280 7213.812       
624.3198 7516.132       488.0959 182.1358 8.164563 187.2882 6.207486 -5.152435 
10.25636 
1 1 1 2   -14 19 o 69.66692 3.116965  1058.831       84.12951 957.7604       
147.3947 1107.669       102.4589 66.95724 5.243307 72.37660 3.371884 -5.419365 
6.233929 
1 1 1 2   -14 20 o 45.57190 5.084757  488.5795       86.66941 378.4500       
145.7846 548.7799       107.7853 40.52582 8.814435 50.61797 5.071959 -10.09216 
10.16951 
1 1 1 2   -14 21 o 116.2715 4.225177  2888.159       206.2514 0.000000       
0.000000 2888.159       206.2514 ?        ?        116.2715 4.225177 ? ? 
1 1 1 2   -14 22 o 39.42849 5.303306  323.8185       72.94843 418.0937       
156.9550 297.8426       82.38758 41.82544 9.187959 37.03154 5.299209 4.793900 
10.60661 
1 1 1 2   -14 23 o 33.90347 5.778342  315.7955       89.01203 93.15619       
160.5456 414.6095       106.9564 24.48027 9.949036 43.32667 5.879935 -18.84641 
11.55668 
1 1 1 2   -14 24 o 31.76947 5.937845  268.7177       84.06953 134.4318       
158.9897 320.8369       99.04947 25.75347 10.10184 37.78548 6.243790 -12.03201 
11.87569 
1 1 1 2   -14 25 o 22.96695 6.403656  91.15263       80.48770 150.2097       
162.3742 71.91463       92.67460 26.08017 10.21311 19.85372 7.727842 6.226454 
12.80731 
1 1 1 2   -14 26 o 47.79541 6.554073  614.9112       122.4841 487.1423       
198.8311 693.0490       155.4901 41.22458 11.19893 54.36624 6.812310 -13.14166 
13.10815 
1 1 1 2   -14 27 o 62.98623 5.518880  952.4288       138.4011 1104.125       
241.8764 878.5847       168.7579 65.19442 8.836985 60.77805 6.613610 4.416374 
11.03776 
1 1 1 2   -14 28 o 45.67522 7.046834  587.3375       124.4959 727.9028       
221.3333 522.2822       150.5738 47.63982 11.23535 43.71062 8.508720 3.929195 
14.09367 
1 1 1 2   -13 0  f 259.5478 4.104455  14259.33       420.7559 14438.11       
515.9327 13904.30       727.0430 262.0843 4.688924 257.0113 6.737968 5.072998 
8.208911 
1 1 1 2   -13 1  o 161.8770 2.625529  5583.773       145.2848 5641.774       
163.8724 5370.729       314.0687 163.9104 2.381335 159.8437 4.680048 4.066727 
5.251057 
1 1 1 2   -13 2  o 351.4797 5.811053  26082.73       771.9208 26130.42       
911.8149 25962.09       1450.250 352.3828 6.163297 350.5767 9.853279 1.806091 
11.62211 
1 1 1 2   -13 3  f 174.0643 3.074891  6283.757       217.3679 6049.309       
272.2739 6695.798       360.9543 169.6724 3.822222 178.4562 4.817721 -8.783813 
6.149782 
1 1 1 2   -13 4  o 363.1228 8.362277  27822.32       1274.844 27822.32       
1274.844 0.000000       0.000000 363.1228 8.362277 ?        ?        ? ? 
1 1 1 2   -13 5  o 466.0641 10.36049  46914.76       1820.193 47616.14       
2155.682 45172.63       3397.400 474.0140 10.83215 458.1143 17.66420 15.89972 
20.72099 
1 1 1 2   -13 6  o 198.7128 5.773686  8362.703       478.5991 8113.000       
712.3940 8568.115       646.1301 195.9269 8.660584 201.4987 7.637807 -5.571808 
11.54737 
1 1 1 2   -13 7  o 127.1837 4.339431  3402.198       231.7092 0.000000       
0.000000 3402.198       231.7092 ?        ?        127.1837 4.339431 ? ? 
1 1 1 2   -13 8  o 88.21856 3.342499  1615.631       118.1924 1712.722       
202.1217 1565.180       145.6993 90.17227 5.339014 86.26485 4.022950 3.907425 
6.684998 
1 1 1 2   -13 9  o 208.6874 6.932662  9209.334       596.9408 9576.718       
942.9035 8963.594       771.1617 211.9011 10.59876 205.4737 8.939438 6.427414 
13.86532 
1 1 1 2   -13 10 o 63.84426 3.345004  856.5863       89.42924 889.9104       
132.2027 828.4730       121.4273 64.97993 4.845987 62.70859 4.612225 2.271347 
6.690008 
1 1 1 2   -13 11 o 194.0238 6.060550  8035.614       482.0732 7946.421       
766.7722 8093.913       619.9150 192.8164 9.472036 195.2312 7.563174 -2.414719 
12.12110 
1 1 1 2   -13 12 f 214.6523 7.248038  9904.674       652.2859 9728.961       
896.0887 10102.72       951.3310 212.7397 10.03283 216.5649 10.46320 -3.825211 
14.49608 
1 1 1 2   -13 13 o 134.1028 4.101078  3804.778       213.5049 3820.567       
383.6404 3797.694       256.9773 134.0757 6.815465 134.1299 4.563417 
-0.5424500E-01 8.202155 
1 1 1 2   -13 14 o 185.3935 4.718226  7388.127       314.0495 7135.348       
632.7337 7470.755       361.7542 182.6753 8.250156 188.1117 4.580562 -5.436417 
9.436452 
1 1 1 2   -13 15 o 18.29303 5.038266  32.14958       53.31891 82.12619       
94.43870 8.765051       64.59977 21.74031 7.941037 14.84574 6.202937 6.894576 
10.07653 
1 1 1 2   -13 16 o 100.4268 2.931095  2055.782       119.9774 2424.355       
200.6004 1850.511       149.7045 107.1591 4.458859 93.69447 3.805766 13.46463 
5.862191 
1 1 1 2   -13 17 o 121.8303 3.406008  3093.131       168.6244 3327.536       
280.0247 2959.775       211.2127 125.2887 5.323600 118.3718 4.250040 6.916954 
6.812015 
1 1 1 2   -13 18 o 38.45801 4.563662  342.1626       64.03895 273.5083       
115.0718 372.9650       77.07745 34.94065 8.011140 41.97538 4.373748 -7.034729 
9.127323 
1 1 1 2   -13 19 o 70.39526 3.411834  1096.621       95.68175 891.6125       
153.1815 1227.782       122.5243 64.61549 5.646648 76.17503 3.831162 -11.55954 
6.823668 
1 1 1 2   -13 20 o 20.43003 8.508109  27.96086       120.9178 27.96086       
120.9178 0.000000       0.000000 20.43003 8.508109 ?        ?        ? ? 
1 1 1 2   -13 21 o 23.69008 7.162631  124.1630       77.26363 0.000000       
0.000000 124.1630       77.26363 ?        ?        23.69008 7.162631 ? ? 
1 1 1 2   -13 22 o 61.17770 3.828451  736.5915       86.80750 970.4511       
178.1928 663.8224       99.39993 66.63068 6.369962 55.72471 4.248732 10.90597 
7.656901 
1 1 1 2   -13 23 f 42.42806 5.424576  462.8501       79.78843 311.0279       
152.4959 520.0790       93.62646 35.71772 9.854309 49.13840 4.538357 -13.42068 
10.84915 
1 1 1 2   -13 24 o 40.79745 5.816686  402.1642       87.20230 367.6308       
166.3559 415.2484       102.3981 38.16838 10.18781 43.42653 5.616399 -5.258148 
11.63337 
1 1 1 2   -13 25 o 31.00008 5.345266  281.5432       81.55278 -14.94726      
164.0204 378.9130       93.99493 20.62437 9.219997 41.37580 5.411019 -20.75143 
10.69053 
1 1 1 2   -13 26 o 24.37561 6.716515  121.4376       95.19900 153.6669       
162.2409 104.5140       117.5660 26.14579 10.21503 22.60543 8.723504 3.540352 
13.43303 
1 1 1 2   -13 27 o 30.47930 7.320881  245.4919       104.8403 287.9744       
196.7593 228.6485       123.8926 31.51567 11.46708 29.44293 9.104242 2.072742 
14.64176 
1 1 1 2   -13 28 o 88.41301 5.157667  1932.990       171.0161 1856.836       
313.5700 1965.232       204.0312 84.04829 8.886417 92.77773 5.238101 -8.729439 
10.31533 
1 1 1 2   -13 29 o 45.32660 6.857647  609.2585       111.6516 595.9463       
227.1843 613.4977       128.2023 40.29183 12.30219 50.36137 6.063445 -10.06955 
13.71529 
1 1 1 2   -12 0  o 48.72846 2.124790  502.4935       42.20832 515.3016       
53.99105 482.3625       67.68784 49.53626 2.596089 47.92066 3.364410 1.615601 
4.249581 
1 1 1 2   -12 1  o 445.5095 7.373979  42072.45       1252.210 42278.10       
1488.950 41575.55       2314.484 447.9669 7.916899 443.0521 12.44287 4.914795 
14.74796 
1 1 1 2   -12 2  o 114.7234 2.458638  2703.732       109.5008 2609.924       
130.7367 2924.210       200.4282 111.4778 2.793381 117.9689 4.046805 -6.491158 
4.917276 
1 1 1 2   -12 3  o 355.1539 5.056452  27023.63       638.8583 27447.47       
733.2896 25688.56       1301.433 361.3376 4.833742 348.9702 8.882893 12.36740 
10.11290 
1 1 1 2   -12 4  o 174.9498 4.469379  6247.301       294.9445 6013.770       
344.7669 6884.711       569.5894 169.1289 4.855442 180.7708 7.505070 -11.64185 
8.938758 
1 1 1 2   -12 5  o 239.5324 8.485893  12104.28       853.3767 0.000000       
0.000000 12104.28       853.3767 ?        ?        239.5324 8.485893 ? ? 
1 1 1 2   -12 6  o 169.0435 5.370708  5969.450       366.8990 6227.373       
613.6318 5825.935       457.7310 171.7651 8.509302 166.3219 6.555137 5.443192 
10.74142 
1 1 1 2   -12 7  f 82.70740 3.018280  1370.717       98.52672 1634.950       
178.0468 1254.087       118.2890 88.16573 4.810114 77.24906 3.647307 10.91667 
6.036559 
1 1 1 2   -12 8  o 253.9948 6.218461  13622.42       662.4884 14161.87       
962.7771 13137.31       913.0034 258.7479 8.862780 249.2417 8.725146 9.506195 
12.43692 
1 1 1 2   -12 9  o 100.3649 3.424932  2122.588       144.0443 2075.913       
208.8770 2164.915       198.9074 99.30228 5.010169 101.4276 4.671064 -2.125320 
6.849864 
1 1 1 2   -12 10 o 81.54474 3.187233  1393.677       108.2349 1445.650       
165.1195 1354.521       143.3195 82.85977 4.746525 80.22971 4.254917 2.630058 
6.374466 
1 1 1 2   -12 11 o 148.9631 5.258110  4691.951       328.4634 4535.494       
451.4819 4867.878       478.7515 146.3452 7.348232 151.5810 7.522921 -5.235748 
10.51622 
1 1 1 2   -12 12 o 91.45477 3.593460  1751.041       137.3378 1907.510       
206.7314 1627.434       183.7444 95.07454 5.179208 87.83499 4.982733 7.239548 
7.186920 
1 1 1 2   -12 13 o 195.7935 4.455822  8106.696       364.9407 7947.134       
493.3536 8299.508       542.3232 193.7365 6.065517 197.8506 6.528929 -4.114059 
8.911645 
1 1 1 2   -12 14 o 127.9214 3.424397  3574.963       161.9244 3202.488       
306.3033 3719.427       190.7583 122.9389 5.934490 132.9039 3.418745 -9.965012 
6.848794 
1 1 1 2   -12 15 o 232.5937 6.452568  11550.61       592.4346 11807.69       
1034.802 11425.26       722.5716 233.6356 10.54967 231.5518 7.432823 2.083832 
12.90514 
1 1 1 2   -12 16 o 62.39439 3.167686  799.7418       75.19350 873.5677       
142.8272 771.4337       88.44247 64.26656 5.293548 60.52221 3.480705 3.744343 
6.335373 
1 1 1 2   -12 17 o 56.26076 3.429348  691.9976       73.54538 612.2521       
131.8461 728.0189       88.61240 53.74053 5.843681 58.78099 3.590696 -5.040459 
6.858696 
1 1 1 2   -12 18 o 74.62554 3.185930  1216.273       91.63883 1075.270       
161.0938 1283.729       111.4233 71.20840 5.388509 78.04269 3.400674 -6.834290 
6.371861 
1 1 1 2   -12 19 o 87.77375 3.994298  1609.095       133.7177 1715.661       
251.2528 1566.984       157.9438 89.51540 6.685504 86.03210 4.372834 3.483307 
7.988595 
1 1 1 2   -12 20 o 36.60882 9.562301  306.2829       148.5651 306.2829       
148.5651 0.000000       0.000000 36.60882 9.562301 ?        ?        ? ? 
1 1 1 2   -12 21 o 144.3105 4.352392  4377.793       249.1290 4802.394       
438.0047 4174.739       302.8967 148.8341 7.009668 139.7868 5.161184 9.047287 
8.704784 
1 1 1 2   -12 22 o 31.24702 5.138445  269.9952       70.37749 42.00171       
136.5342 352.4908       82.12885 21.90605 9.076621 40.58799 4.819691 -18.68194 
10.27689 
1 1 1 2   -12 23 o 46.90553 4.843620  521.7173       79.89159 422.8086       
148.9572 561.6590       94.65800 42.60572 8.628726 51.20533 4.403147 -8.599613 
9.687240 
1 1 1 2   -12 24 o 21.36251 5.924549  71.63521       69.09695 82.13715       
140.1811 68.26473       79.41456 23.33960 9.372670 19.38542 7.249425 3.954178 
11.84910 
1 1 1 2   -12 25 o 46.37977 4.323146  465.6132       79.74634 520.3309       
139.6295 439.1247       97.14964 47.97144 6.932911 44.78810 5.166537 3.183334 
8.646292 
1 1 1 2   -12 26 o 53.42640 5.468429  703.1954       95.04155 611.7425       
198.1858 730.5087       108.3082 48.95762 9.987963 57.89517 4.455947 -8.937550 
10.93686 
1 1 1 2   -12 27 o 35.02920 7.182373  251.2944       100.5109 546.3416       
211.6649 165.3943       114.2089 44.13638 11.35863 25.92202 8.793604 18.21436 
14.36475 
1 1 1 2   -12 28 o 63.00627 5.278749  957.4285       114.5198 947.2221       
239.0288 960.4692       130.4686 60.32238 9.438280 65.69017 4.730712 -5.367794 
10.55750 
1 1 1 2   -12 29 o 21.68445 6.680462  70.95643       97.49156 109.2834       
212.3818 60.72417       109.7364 24.05665 10.64248 19.31225 8.077868 4.744398 
13.36092 
1 1 1 2   -12 30 o 26.17429 6.343744  225.2509       98.95564 -53.71546      
239.4155 282.7270       108.6726 20.38913 9.775171 31.95946 8.088164 -11.57033 
12.68749 
1 1 1 2   -11 0  o 101.8390 2.144610  2148.431       90.94904 2571.325       
137.2819 1817.632       121.4170 110.6499 2.955176 93.02815 3.108753 17.62173 
4.289221 
1 1 1 2   -11 1  f 328.2856 5.491118  22780.47       692.5615 22904.02       
828.1186 22493.01       1263.196 329.9930 5.977353 326.5782 9.213076 3.414764 
10.98224 
1 1 1 2   -11 2  o 369.7217 5.800844  28929.36       712.1647 29010.57       
794.0173 28595.28       1610.480 371.4821 5.091117 367.9613 10.42495 3.520844 
11.60169 
1 1 1 2   -11 3  o 200.0118 2.592309  8328.447       196.1284 8231.613       
230.9888 8578.614       371.2715 197.9801 2.779013 202.0435 4.376913 -4.063385 
5.184619 
1 1 1 2   -11 4  o 363.9621 6.052588  27864.84       739.2282 27822.18       
826.1368 28036.23       1655.737 363.7408 5.409799 364.1834 10.82910 
-0.4426270     12.10518 
1 1 1 2   -11 5  o 64.07152 2.544969  865.9396       68.03057 826.9037       
100.6916 898.7242       92.27763 62.73430 3.823043 65.40874 3.360328 -2.674435 
5.089937 
1 1 1 2   -11 6  o 324.7231 10.22904  22473.40       1386.898 22121.41       
2062.919 22763.71       1873.479 322.1517 15.25256 327.2946 13.63424 -5.142914 
20.45808 
1 1 1 2   -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -11 8  o 386.6007 13.01216  32216.68       2110.022 32772.47       
3060.630 31713.26       2912.893 389.5997 18.71170 383.6017 18.08694 5.998016 
26.02431 
1 1 1 2   -11 9  o 187.5368 5.958927  7435.632       468.0211 7376.021       
684.8059 7487.880       641.1158 186.7854 8.732639 188.2881 8.110257 -1.502686 
11.91785 
1 1 1 2   -11 10 o 130.1086 3.908374  3545.309       203.9762 3633.454       
345.5688 3498.177       252.6923 131.2803 6.269834 128.9369 4.668054 2.343414 
7.816748 
1 1 1 2   -11 11 o 65.07458 3.867988  870.7103       103.7147 667.5565       
136.3331 1149.801       159.7944 56.26889 5.771040 73.88029 5.151741 -17.61140 
7.735977 
1 1 1 2   -11 12 o 211.4922 7.108294  9534.294       630.8362 9343.249       
875.3365 9740.745       909.9436 209.3201 9.960594 213.6644 10.14386 -4.344360 
14.21659 
1 1 1 2   -11 13 o 189.8656 5.178163  7677.285       317.4836 7596.238       
743.2971 7695.371       351.1245 188.6210 9.386281 191.1103 4.376210 -2.489288 
10.35633 
1 1 1 2   -11 14 o 187.1239 5.047226  7239.622       363.3121 7934.851       
677.1160 6958.551       430.5343 192.8544 8.362856 181.3934 5.653370 11.46103 
10.09445 
1 1 1 2   -11 15 o 234.6812 6.462943  11693.25       590.0953 12156.69       
1063.542 11487.13       709.2857 237.0671 10.68573 232.2953 7.272803 4.771820 
12.92589 
1 1 1 2   -11 16 o 146.5584 4.204593  4533.697       246.6591 4615.037       
418.8744 4490.519       305.1829 147.3524 6.770921 145.7645 4.986887 1.587875 
8.409185 
1 1 1 2   -11 17 o 108.7215 3.293714  2520.278       143.6186 2411.145       
239.0671 2581.904       179.6490 106.7631 5.333592 110.6799 3.866136 -3.916786 
6.587428 
1 1 1 2   -11 18 o 19.15382 5.252176  46.27129       58.38295 71.52830       
97.35059 32.08504       72.95943 21.25974 8.011367 17.04790 6.794073 4.211840 
10.50435 
1 1 1 2   -11 19 o 60.84685 3.708524  757.9818       83.39861 842.2598       
166.5380 729.7723       96.35046 62.89341 6.307093 58.80028 3.902972 4.093128 
7.417049 
1 1 1 2   -11 20 o 83.89012 6.439130  1505.529       226.7864 0.000000       
0.000000 1505.529       226.7864 ?        ?        83.89012 6.439130 ? ? 
1 1 1 2   -11 21 o 60.46685 3.730597  808.5911       87.69930 697.0682       
150.3738 866.0761       107.9612 56.99289 6.284527 63.94081 4.021709 -6.947922 
7.461195 
1 1 1 2   -11 22 o 43.99556 4.482394  387.2690       73.83168 486.8533       
147.8644 354.1944       85.21489 47.26180 7.452028 40.72932 4.983442 6.532471 
8.964787 
1 1 1 2   -11 23 o 53.50055 4.429437  661.8683       84.44027 539.8186       
163.0686 706.5847       98.70407 49.39968 7.862618 57.60142 4.081529 -8.201740 
8.858873 
1 1 1 2   -11 24 o 51.30907 3.932749  564.0391       80.74068 596.5912       
138.1859 547.1653       99.49012 52.17524 6.308414 50.44291 4.697869 1.732327 
7.865499 
1 1 1 2   -11 25 o 78.92682 3.921669  1319.631       112.4236 1452.061       
228.8519 1277.506       129.0715 80.67907 6.756389 77.17457 3.983613 3.504501 
7.843338 
1 1 1 2   -11 26 o 30.78287 5.453426  248.0838       83.97067 33.97608       
141.1366 365.4009       104.4730 21.10450 9.007499 40.46123 6.150153 -19.35673 
10.90685 
1 1 1 2   -11 27 o 30.19775 6.565416  241.4659       91.86819 157.1609       
173.8148 274.1464       108.2193 26.82470 10.55049 33.57081 7.817021 -6.746109 
13.13083 
1 1 1 2   -11 28 o 28.83064 6.819883  226.6913       103.4277 97.32407       
190.0517 281.1270       123.2823 24.57525 10.46953 33.08604 8.742556 -8.510790 
13.63977 
1 1 1 2   -11 29 o 34.90515 6.829457  364.2502       106.7533 239.2169       
198.0250 415.4737       126.7481 29.00498 11.29501 40.80532 7.680405 -11.80034 
13.65891 
1 1 1 2   -11 30 o 38.75284 7.471565  428.4907       109.7325 552.4131       
238.5250 395.2225       123.5872 38.70592 12.70819 38.79975 7.861229 
-0.9383011E-01 14.94313 
1 1 1 2   -10 0  o 147.2555 2.845272  4624.540       169.6276 4837.278       
216.0520 4282.666       273.8851 151.7554 3.391059 142.7556 4.569793 8.999832 
5.690544 
1 1 1 2   -10 1  o 335.1296 3.990320  23502.97       560.0861 25566.30       
825.5823 21743.59       762.3535 348.6916 5.639492 321.5675 5.646837 27.12408 
7.980641 
1 1 1 2   -10 2  o 331.6968 3.655053  23110.50       502.6559 23246.14       
775.4565 23012.20       660.1172 332.4985 5.555060 330.8950 4.751731 1.603485 
7.310106 
1 1 1 2   -10 3  o 70.73072 1.985202  1012.134       54.35414 956.1893       
64.47622 1149.548       101.0494 67.48166 2.275804 73.97978 3.253432 -6.498123 
3.970403 
1 1 1 2   -10 4  o 424.4059 9.082294  38189.40       1616.789 37334.37       
2320.328 38996.31       2254.081 419.6853 13.16881 429.1265 12.51138 -9.441162 
18.16459 
1 1 1 2   -10 5  o 139.6065 3.365394  4055.750       189.4234 4241.561       
318.7977 3954.350       235.5040 142.0293 5.346362 137.1836 4.089001 4.845703 
6.730788 
1 1 1 2   -10 6  o 240.3232 5.570711  12157.31       559.8085 12304.78       
831.9720 12035.31       756.7421 241.6156 8.201717 239.0307 7.540762 2.584885 
11.14142 
1 1 1 2   -10 7  o 262.7986 8.081152  14637.46       866.3141 14697.20       
1103.339 14541.42       1398.919 263.7612 9.963660 261.8359 12.72578 1.925323 
16.16230 
1 1 1 2   -10 8  o 33.04255 6.431960  237.6728       86.04292 0.000000       
0.000000 237.6728       86.04292 ?        ?        33.04255 6.431960 ? ? 
1 1 1 2   -10 9  o 152.9133 4.310514  5007.960       267.2044 4571.828       
428.0673 5286.376       342.0192 147.2997 6.921996 158.5269 5.138881 -11.22723 
8.621028 
1 1 1 2   -10 10 o 118.6775 4.376690  2968.312       217.8699 3119.950       
308.5596 2817.545       307.6716 121.7115 6.038490 115.6434 6.337059 6.068161 
8.753381 
1 1 1 2   -10 11 o 122.7511 3.825072  3166.844       196.7330 3082.114       
268.4573 3265.130       289.1370 120.9898 5.285032 124.5124 5.531107 -3.522636 
7.650145 
1 1 1 2   -10 12 o 234.5559 6.058911  11856.09       488.2238 11312.35       
1043.926 12008.32       552.3534 230.4064 10.79186 238.7054 5.511576 -8.299088 
12.11782 
1 1 1 2   -10 13 o 170.9296 5.126581  5995.376       311.1813 6542.980       
656.9684 5836.981       353.3315 175.4449 8.919179 166.4143 5.057231 9.030579 
10.25316 
1 1 1 2   -10 14 o 102.0750 3.307536  2225.212       133.3768 2109.798       
228.5676 2284.804       164.2391 99.96495 5.446130 104.1851 3.754843 -4.220184 
6.615072 
1 1 1 2   -10 15 o 140.1237 3.566380  4157.992       186.0180 4120.746       
357.6462 4171.804       217.7955 139.4984 6.106686 140.7491 3.685737 -1.250671 
7.132761 
1 1 1 2   -10 16 o 39.70760 4.181291  348.5487       60.82334 317.0322       
111.4301 361.9240       72.59130 37.98927 7.246518 41.42593 4.173817 -3.436657 
8.362581 
1 1 1 2   -10 17 f 250.9210 6.418739  13647.38       622.6366 13155.09       
1113.158 13871.53       751.1267 246.4814 10.75707 255.3605 7.006167 -8.879150 
12.83748 
1 1 1 2   -10 18 o 142.5705 4.265023  4293.628       236.2017 4349.909       
424.8601 4268.450       284.1645 142.9812 7.077635 142.1598 4.761174 0.8214111 
8.530046 
1 1 1 2   -10 19 o 93.28222 3.670382  1870.547       136.9418 1740.906       
227.4574 1944.255       171.5085 90.58463 5.980902 95.97981 4.256246 -5.395187 
7.340764 
1 1 1 2   -10 20 o 141.1267 9.115857  4311.397       540.1141 0.000000       
0.000000 4311.397       540.1141 ?        ?        141.1267 9.115857 ? ? 
1 1 1 2   -10 21 f 62.96771 3.899732  836.1601       93.23517 864.1165       
175.1938 825.1138       110.1251 63.50457 6.571052 62.43086 4.201537 1.073708 
7.799464 
1 1 1 2   -10 22 o 43.12105 4.684118  366.7377       75.17290 475.9140       
152.9237 331.9498       86.32256 46.78942 7.784814 39.45267 5.211575 7.336758 
9.368236 
1 1 1 2   -10 23 o 155.7561 5.443489  5245.695       318.0844 5458.041       
607.9564 5165.657       373.2473 156.4752 9.254393 155.0370 5.734326 1.438217 
10.88698 
1 1 1 2   -10 24 o 25.84062 5.753166  109.1378       67.74244 255.8239       
128.1901 52.30160       79.79440 33.11992 8.989812 18.56133 7.181850 14.55859 
11.50633 
1 1 1 2   -10 25 o 83.60861 3.185373  1467.896       107.7178 1629.544       
181.9205 1380.625       133.6693 86.85237 4.989086 80.36485 3.961745 6.487518 
6.370746 
1 1 1 2   -10 26 o 27.76786 6.228182  161.2593       77.45335 252.8730       
139.2876 120.2510       93.18965 32.17060 9.595055 23.36512 7.943296 8.805483 
12.45636 
1 1 1 2   -10 27 o 20.98090 5.514205  64.15350       79.16345 -148.5227      
141.3914 161.2639       95.54250 15.93211 7.607842 26.02968 7.984146 -10.09758 
11.02841 
1 1 1 2   -10 28 o 27.93148 7.106110  194.4384       105.6017 155.4676       
179.7660 214.9727       130.4905 26.75921 10.66448 29.10374 9.394463 -2.344534 
14.21222 
1 1 1 2   -10 29 o 36.89265 7.032267  366.7845       106.5063 373.3136       
192.3896 363.8993       127.8917 35.78190 11.39275 38.00340 8.247203 -2.221493 
14.06453 
1 1 1 2   -10 30 o 19.91053 6.400344  3.792088       104.7863 9.526999       
207.5353 1.829833       121.3966 21.95565 10.02416 17.86542 7.960771 4.090237 
12.80069 
1 1 1 2   -10 31 o 23.95559 6.712759  162.6529       107.5482 -69.28956      
253.1759 213.7231       118.7999 20.79712 9.990430 27.11407 8.968604 -6.316946 
13.42552 
1 1 1 2   -9  0  f 113.5915 1.813053  2749.383       82.96465 2860.758       
104.7931 2562.337       135.8048 116.7252 2.138402 110.4579 2.928461 6.267235 
3.626106 
1 1 1 2   -9  1  o 344.8958 5.510782  25218.58       627.4946 25324.70       
698.5758 24775.32       1427.784 347.1259 4.793443 342.6656 9.924604 4.460358 
11.02156 
1 1 1 2   -9  2  o 233.5841 2.998717  11475.62       290.6878 11388.51       
445.3594 11540.28       383.6890 232.7940 4.556799 234.3743 3.899334 -1.580246 
5.997435 
1 1 1 2   -9  3  o 326.5894 4.343798  22600.63       585.9893 23449.23       
771.3762 21442.63       901.0894 333.9568 5.501701 319.2220 6.723511 14.73483 
8.687595 
1 1 1 2   -9  4  o 83.68542 2.414544  1458.717       83.66949 1543.127       
131.0739 1400.669       108.6961 85.70785 3.642645 81.66299 3.170369 4.044861 
4.829089 
1 1 1 2   -9  5  o 211.1714 3.585411  9399.822       275.2617 9322.954       
549.3133 9425.596       318.0787 210.5181 6.215151 211.8247 3.576672 -1.306564 
7.170822 
1 1 1 2   -9  6  o 364.3118 8.247053  27993.41       1254.449 28851.54       
1887.185 27314.07       1679.107 369.1729 12.17603 359.4507 11.12654 9.722198 
16.49411 
1 1 1 2   -9  7  o 210.4469 4.955233  9307.244       436.9543 9071.031       
596.5536 9580.666       641.8198 207.5854 6.845005 213.3084 7.166815 -5.723007 
9.910465 
1 1 1 2   -9  8  o 164.3139 4.127999  5680.886       284.5916 5646.620       
409.0903 5713.022       396.1672 163.8269 5.947782 164.8008 5.725853 
-0.9739075     8.255998 
1 1 1 2   -9  9  o 205.7964 6.839056  8865.354       579.7475 9363.198       
923.8379 8541.931       744.6194 210.4074 10.45817 201.1854 8.815744 9.221985 
13.67811 
1 1 1 2   -9  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -9  11 o 21.12727 5.714084  63.69038       70.43377 64.93977       
106.7462 62.72701       93.73423 21.63098 8.319668 20.62356 7.834932 1.007414 
11.42817 
1 1 1 2   -9  12 o 30.34162 4.588694  162.8398       56.43056 330.0178       
103.4451 92.01385       67.33130 39.56819 6.227088 21.11505 6.741500 18.45314 
9.177388 
1 1 1 2   -9  13 o 91.36206 3.226221  1800.739       119.9733 1545.155       
186.2141 1982.120       156.8702 85.64571 5.178786 97.07840 3.848921 -11.43269 
6.452443 
1 1 1 2   -9  14 o 71.97853 2.735418  1046.624       80.28626 1274.270       
134.4546 920.4760       100.0891 77.80692 4.116030 66.15015 3.603936 11.65676 
5.470837 
1 1 1 2   -9  15 o 107.9054 2.885892  2449.687       130.6503 2519.641       
189.0500 2385.730       180.7634 109.3755 4.116971 106.4354 4.045249 2.940033 
5.771784 
1 1 1 2   -9  16 o 114.8645 3.512366  2817.645       161.3977 2678.432       
269.6593 2895.354       201.4690 112.5207 5.708264 117.2084 4.094214 -4.687683 
7.024732 
1 1 1 2   -9  17 o 266.4928 7.056693  15161.69       714.0286 15662.59       
1339.233 14962.75       843.9924 268.0618 11.89987 264.9238 7.588196 3.138000 
14.11339 
1 1 1 2   -9  18 o 185.3232 4.914910  7283.371       381.8653 6845.865       
524.5297 7776.739       557.0109 179.4139 6.963618 191.2325 6.937822 -11.81853 
9.829820 
1 1 1 2   -9  19 o 71.16461 3.980939  1093.860       115.2719 973.9771       
181.3277 1175.167       149.3299 67.73991 6.375886 74.58930 4.768604 -6.849388 
7.961879 
1 1 1 2   -9  20 o 40.32016 5.304422  344.2364       89.79234 0.000000       
0.000000 344.2364       89.79234 ?        ?        40.32016 5.304422 ? ? 
1 1 1 2   -9  21 o 75.24267 4.242446  1260.342       111.5935 1104.213       
227.3186 1309.915       128.0904 71.72402 7.549036 78.76131 3.873688 -7.037292 
8.484893 
1 1 1 2   -9  22 o 102.5987 3.396242  2175.473       138.7992 2424.262       
242.9160 2054.874       169.1271 106.6739 5.423991 98.52351 4.088785 8.150406 
6.792484 
1 1 1 2   -9  23 o 120.9825 4.414941  3043.677       188.3679 3340.624       
401.0301 2959.616       213.3705 123.8991 7.709566 118.0659 4.304580 5.833145 
8.829882 
1 1 1 2   -9  24 o 63.62949 3.588104  839.0489       86.65769 932.1646       
165.5843 803.9255       101.6965 65.73829 5.999592 61.52068 3.937366 4.217606 
7.176208 
1 1 1 2   -9  25 o 37.18887 5.307629  289.1361       73.11800 384.3080       
141.7359 254.6236       85.35203 40.68255 8.567423 33.69518 6.267612 6.987377 
10.61526 
1 1 1 2   -9  26 o 57.76899 3.763234  683.4147       82.75399 827.0088       
159.9417 630.9214       96.70425 61.31776 6.212930 54.22021 4.248204 7.097546 
7.526469 
1 1 1 2   -9  27 o 150.9458 4.546714  5026.076       247.2535 5202.459       
499.7962 4968.921       284.5071 150.3497 7.917924 151.5419 4.471790 -1.192184 
9.093428 
1 1 1 2   -9  28 o 83.16841 4.003240  1469.457       113.9825 1663.290       
252.9430 1420.068       127.6809 85.13983 7.076378 81.19698 3.745478 3.942848 
8.006480 
1 1 1 2   -9  29 o 42.22776 6.715526  472.0859       111.4764 411.4003       
199.9953 499.4384       134.2688 38.06559 11.52673 46.38992 6.894022 -8.324333 
13.43105 
1 1 1 2   -9  30 o 38.36271 7.237527  399.2555       111.6706 433.0495       
208.5407 385.6695       132.2258 37.78757 11.83754 38.93785 8.330659 -1.150276 
14.47505 
1 1 1 2   -9  31 o 45.93787 6.886991  633.9214       112.7270 500.7851       
232.2221 674.9651       128.9374 37.99761 12.53917 53.87812 5.700165 -15.88051 
13.77398 
1 1 1 2   -9  32 o 27.67152 7.676214  230.8769       115.3850 363.4406       
238.9511 190.5674       131.7653 30.05971 12.16821 25.28332 9.361182 4.776394 
15.35243 
1 1 1 2   -8  0  f 90.77538 2.169616  1693.053       75.90246 1638.943       
90.15609 1824.757       140.6557 88.34692 2.430663 93.20383 3.594552 -4.856903 
4.339231 
1 1 1 2   -8  1  o 148.5853 2.667365  4716.267       162.8651 5112.652       
215.3108 4186.154       248.9958 156.0190 3.287073 141.1515 4.201725 14.86755 
5.334730 
1 1 1 2   -8  2  o 249.4839 4.515760  13099.83       428.5564 13108.70       
508.1907 13078.00       797.3949 249.7417 4.846818 249.2261 7.620808 0.5156403 
9.031521 
1 1 1 2   -8  3  o 125.4721 2.685579  3298.484       140.2472 3242.552       
185.7551 3372.640       213.8854 124.2440 3.561120 126.7002 4.020915 -2.456238 
5.371157 
1 1 1 2   -8  4  o 322.8761 6.614751  22039.35       879.4240 21699.15       
1380.333 22271.79       1140.964 320.6241 10.25436 325.1281 8.358694 -4.503998 
13.22950 
1 1 1 2   -8  5  o 470.0710 8.780967  47160.38       1582.130 45790.04       
2882.627 47751.13       1892.678 464.3394 14.78679 475.8026 9.474822 -11.46326 
17.56193 
1 1 1 2   -8  6  o 37.89365 2.835589  296.7486       44.64149 364.6415       
67.76694 244.6996       59.33516 41.66106 3.874437 34.12625 4.141376 7.534817 
5.671178 
1 1 1 2   -8  7  o 214.4690 3.211526  9691.008       280.2662 9567.766       
455.0057 9766.354       355.7689 213.3362 5.080113 215.6018 3.930400 -2.265640 
6.423052 
1 1 1 2   -8  8  f 126.2784 3.381010  3352.323       179.2189 3419.329       
253.3107 3285.165       253.5971 127.5438 4.730589 125.0130 4.831815 2.530830 
6.762020 
1 1 1 2   -8  9  o 209.0675 4.676024  9210.847       408.7073 9082.438       
604.1252 9319.217       554.9940 207.6945 6.928242 210.4405 6.281742 -2.745987 
9.352049 
1 1 1 2   -8  10 f 245.5562 8.554740  12776.37       881.5399 12544.09       
1224.720 13026.10       1269.877 243.2628 11.99174 247.8496 12.20379 -4.586761 
17.10948 
1 1 1 2   -8  11 o 332.7198 16.19241  23709.04       2261.877 0.000000       
0.000000 23709.04       2261.877 ?        ?        332.7198 16.19241 ? ? 
1 1 1 2   -8  12 o 182.4083 5.541833  6550.137       327.4621 7788.045       
798.7527 6300.044       359.0198 191.7670 9.921092 173.0495 4.941617 18.71748 
11.08367 
1 1 1 2   -8  13 o 236.5312 6.232575  11934.43       587.9969 11542.65       
993.0587 12145.95       729.6521 233.1995 10.14305 239.8628 7.245594 -6.663330 
12.46515 
1 1 1 2   -8  14 o 237.7471 5.941360  11889.84       572.7890 12308.39       
948.2421 11649.37       718.7320 240.7460 9.381695 234.7482 7.292655 5.997726 
11.88272 
1 1 1 2   -8  15 o 103.4791 3.178569  2287.468       119.5427 2190.574       
236.4385 2320.742       138.5569 101.8983 5.526782 105.0599 3.141320 -3.161598 
6.357138 
1 1 1 2   -8  16 o 43.55360 3.561123  402.0589       61.02017 395.0131       
106.4134 405.5107       74.48227 43.22828 5.863399 43.87891 4.043134 
-0.6506271     7.122246 
1 1 1 2   -8  17 o 74.05641 2.882339  1220.600       83.56374 950.4935       
136.8721 1381.106       105.5101 67.09575 4.858935 81.01708 3.101976 -13.92133 
5.764677 
1 1 1 2   -8  18 o 99.27023 2.870322  2078.536       117.0514 2075.259       
185.6913 2080.697       150.7797 99.15905 4.460466 99.38140 3.613755 
-0.2223511     5.740644 
1 1 1 2   -8  19 o 281.8342 10.24628  17544.02       1193.732 18045.67       
1866.277 17196.66       1552.962 283.9683 15.65407 279.7001 13.22481 4.268250 
20.49257 
1 1 1 2   -8  20 o 229.0381 7.100216  11166.65       682.7446 0.000000       
0.000000 11166.65       682.7446 ?        ?        229.0381 7.100216 ? ? 
1 1 1 2   -8  21 o 48.65190 4.846001  541.1837       76.91577 461.7560       
162.8249 563.9987       87.26612 45.60598 8.818696 51.69782 4.020634 -6.091846 
9.692001 
1 1 1 2   -8  22 o 43.05534 5.187105  392.9903       76.25371 427.6185       
162.6957 383.2422       86.32202 43.59247 9.178200 42.51822 4.835792 1.074257 
10.37421 
1 1 1 2   -8  23 o 146.6386 4.857356  4412.433       231.3155 4980.326       
553.3401 4292.176       254.6319 150.9757 8.729837 142.3015 4.262109 8.674240 
9.714712 
1 1 1 2   -8  24 o 33.12864 5.695318  258.0187       74.11787 198.9538       
143.4702 279.5207       86.56383 30.14947 9.855934 36.10782 5.710265 -5.958353 
11.39064 
1 1 1 2   -8  25 o 89.90498 3.434948  1661.151       111.5813 1867.477       
230.8605 1598.260       127.4575 92.98949 5.913394 86.82047 3.496749 6.169029 
6.869897 
1 1 1 2   -8  26 o 141.6469 4.031460  4365.232       193.6926 4338.305       
423.3554 4372.361       217.8278 139.9628 7.204661 143.3310 3.619881 -3.368225 
8.062921 
1 1 1 2   -8  27 f 53.59887 4.186943  634.9820       82.79610 622.0068       
159.7529 639.7472       96.81339 52.63661 7.229060 54.56114 4.226424 -1.924530 
8.373886 
1 1 1 2   -8  28 o 34.12128 5.685945  326.1331       82.23752 123.7144       
157.0430 402.6134       96.53131 25.44939 10.02253 42.79317 5.372974 -17.34379 
11.37189 
1 1 1 2   -8  29 o 35.07095 6.090911  291.9766       80.34288 334.8679       
160.6359 277.6676       92.78158 35.70817 10.20297 34.43372 6.655535 1.274452 
12.18182 
1 1 1 2   -8  30 o 84.87372 4.113874  1577.594       141.7493 1855.566       
239.0372 1426.829       176.0421 89.85867 6.336166 79.88877 5.248700 9.969902 
8.227749 
1 1 1 2   -8  31 o 30.60487 7.504650  263.7028       111.1191 265.2786       
220.8082 263.1683       128.5880 29.99322 11.86138 31.21652 9.197102 -1.223301 
15.00930 
1 1 1 2   -8  32 o 22.04739 6.641251  99.68994       109.3069 -72.49577      
233.2977 148.1194       123.7276 20.47005 9.774235 23.62474 8.993841 -3.154696 
13.28250 
1 1 1 2   -7  0  o 155.9419 2.950104  5138.329       188.1729 5242.953       
241.7030 4977.337       299.8252 157.9851 3.644073 153.8987 4.640387 4.086365 
5.900209 
1 1 1 2   -7  1  o 89.69527 1.722235  1686.425       64.30470 1667.381       
85.32279 1711.467       97.83752 89.11176 2.280610 90.27876 2.581315 -1.167000 
3.444469 
1 1 1 2   -7  2  o 272.3032 3.901624  15415.25       369.7056 15280.27       
417.8212 15902.16       793.5433 269.7051 3.689967 274.9012 6.875669 -5.196167 
7.803248 
1 1 1 2   -7  3  o 101.6843 2.427392  2180.177       98.72774 2199.717       
122.5601 2144.063       166.6195 102.3453 2.852347 101.0233 3.928490 1.322014 
4.854783 
1 1 1 2   -7  4  o 71.64278 3.407495  1078.091       102.4912 0.000000       
0.000000 1078.091       102.4912 ?        ?        71.64278 3.407495 ? ? 
1 1 1 2   -7  5  o 147.6004 3.673454  4579.880       227.5936 4570.941       
324.8517 4588.497       318.9610 147.4569 5.247365 147.7440 5.142199 
-0.2871399     7.346907 
1 1 1 2   -7  6  o 141.1493 3.406872  4132.664       197.8662 3928.553       
252.9406 4454.525       317.6289 136.7312 4.406280 145.5675 5.197287 -8.836288 
6.813743 
1 1 1 2   -7  7  f 260.6465 5.365423  14242.30       568.5302 14055.70       
717.0429 14558.20       932.9714 258.4560 6.608146 262.8371 8.454790 -4.381104 
10.73085 
1 1 1 2   -7  8  o 109.9319 2.491420  2524.764       114.3035 2944.895       
167.9789 2162.483       155.9858 118.4053 3.379127 101.4585 3.661994 16.94682 
4.982840 
1 1 1 2   -7  9  o 141.5392 3.404254  4224.912       200.1216 4112.338       
304.0296 4310.976       265.8306 139.8550 5.177963 143.2234 4.420913 -3.368408 
6.808508 
1 1 1 2   -7  10 o 146.1491 3.381685  4292.176       186.7495 4057.261       
217.7615 4945.262       363.0869 138.9642 3.732496 153.3340 5.640181 -14.36984 
6.763370 
1 1 1 2   -7  11 o 223.1277 4.016094  10612.75       298.6126 10245.96       
668.3760 10704.23       333.7770 220.5360 7.218758 225.7195 3.522154 -5.183548 
8.032187 
1 1 1 2   -7  12 o 618.8691 18.00394  84860.77       4419.781 83105.63       
7537.803 85780.35       5456.125 608.8840 29.48705 628.8542 20.66595 -19.97021 
36.00788 
1 1 1 2   -7  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -7  14 o 259.9164 5.889350  14280.82       641.6539 14128.35       
881.0411 14453.03       936.3538 258.4894 8.118477 261.3433 8.533940 -2.853943 
11.77870 
1 1 1 2   -7  15 o 159.1226 4.445116  5281.521       271.8962 5499.193       
501.8269 5191.066       323.4937 161.2491 7.412722 156.9961 4.907928 4.253052 
8.890231 
1 1 1 2   -7  16 o 191.6037 5.259106  7588.341       377.9634 8208.819       
732.8979 7363.529       441.1530 196.4224 8.887377 186.7850 5.625594 9.637421 
10.51821 
1 1 1 2   -7  17 o 127.1803 3.243449  3372.686       169.8483 3599.160       
271.5477 3227.142       217.6877 130.6015 4.952437 123.7590 4.189655 6.842529 
6.486897 
1 1 1 2   -7  18 o 237.7182 6.384481  12028.37       624.7617 12510.17       
993.7562 11713.48       803.3884 241.1913 9.813847 234.2451 8.169138 6.946243 
12.76896 
1 1 1 2   -7  19 o 28.83536 9.400187  173.3346       130.5086 173.3346       
130.5086 0.000000       0.000000 28.83536 9.400187 ?        ?        ? ? 
1 1 1 2   -7  20 o 231.0333 6.761171  11325.85       582.5759 11823.13       
1127.871 11144.89       680.3640 233.1909 11.52044 228.8757 7.080480 4.315201 
13.52234 
1 1 1 2   -7  21 o 100.1334 3.868309  2130.016       133.9107 2110.041       
286.6938 2135.590       151.4464 99.58860 6.856931 100.6782 3.582981 -1.089638 
7.736618 
1 1 1 2   -7  22 o 74.15851 3.655556  1115.110       89.55394 1248.416       
209.8812 1085.438       99.02045 76.54520 6.530953 71.77181 3.286185 4.773392 
7.311112 
1 1 1 2   -7  23 o 79.46631 3.584279  1338.636       106.1685 1346.746       
204.2618 1335.634       124.2742 79.41815 6.126161 79.51446 3.722682 
-0.9630585E-01 7.168557 
1 1 1 2   -7  24 o 91.50359 3.189392  1606.979       109.4594 2171.969       
221.5758 1424.587       125.8937 100.9382 5.228630 82.06899 3.653809 18.86918 
6.378784 
1 1 1 2   -7  25 o 87.22787 3.357357  1671.666       111.1781 1502.801       
201.2829 1745.803       133.3688 83.65024 5.731399 90.80551 3.498349 -7.155273 
6.714714 
1 1 1 2   -7  26 o 76.27958 3.404280  1221.146       94.89127 1300.096       
190.5757 1195.120       109.4196 77.51134 5.856299 75.04782 3.472788 2.463516 
6.808561 
1 1 1 2   -7  27 o 25.64122 5.852355  102.9795       70.43197 264.1087       
133.1263 40.34751       82.99944 33.30074 9.215912 17.98170 7.215762 15.31904 
11.70471 
1 1 1 2   -7  28 o 34.47069 5.971111  247.2051       77.63290 384.1013       
155.1977 201.5197       89.65586 39.61509 9.450195 29.32630 7.301401 10.28879 
11.94222 
1 1 1 2   -7  29 f 40.45337 5.476181  351.0310       79.02973 460.9529       
164.6315 318.1158       90.08840 43.03265 9.373096 37.87408 5.665625 5.158569 
10.95236 
1 1 1 2   -7  30 o 25.77459 5.845148  174.2316       75.53624 25.32583       
162.6827 215.1573       85.28717 21.52575 9.432533 30.02342 6.905818 -8.497671 
11.69030 
1 1 1 2   -7  31 o 18.13770 5.726133  -31.21910      74.56554 94.83735       
156.8378 -68.03354      84.75734 23.24360 9.685427 13.03180 6.111211 10.21181 
11.45227 
1 1 1 2   -7  32 o 35.04061 7.830652  279.4955       119.0672 658.5493       
243.9739 160.9887       136.4158 45.07461 12.47685 25.00661 9.465973 20.06800 
15.66130 
1 1 1 2   -7  33 o 20.62003 6.530960  56.03323       116.0997 -131.9220      
247.5283 109.0446       131.4565 19.65646 9.539650 21.58359 8.922377 -1.927122 
13.06192 
1 1 1 2   -6  0  o 155.5867 2.823140  5097.435       147.5350 5105.328       
165.0240 5066.004       329.3012 155.9254 2.520875 155.2479 5.052294 0.6775208 
5.646281 
1 1 1 2   -6  1  o 149.3099 2.847227  4716.798       177.0470 5027.536       
240.9160 4351.923       261.0599 154.7037 3.709250 143.9161 4.320679 10.78761 
5.694453 
1 1 1 2   -6  2  o 295.5594 4.571287  18562.57       535.8293 17800.74       
914.2146 18961.22       661.3281 290.7856 7.488525 300.3333 5.244867 -9.547699 
9.142573 
1 1 1 2   -6  3  o 136.2153 2.789901  3900.798       148.4113 3905.558       
179.5726 3890.539       263.6169 136.3665 3.136559 136.0641 4.614778 0.3023987 
5.579801 
1 1 1 2   -6  4  o 231.0895 4.638427  11245.42       435.1739 11276.45       
549.8602 11193.42       711.9241 231.5819 5.655470 230.5971 7.353617 0.9848633 
9.276855 
1 1 1 2   -6  5  o 24.40777 3.325529  123.6333       33.11798 165.0629       
51.54793 94.51239       43.21741 28.02752 4.380742 20.78802 5.004566 7.239494 
6.651058 
1 1 1 2   -6  6  o 148.8201 3.474189  4631.545       213.8307 4788.211       
334.8861 4523.704       277.8440 150.9195 5.285340 146.7208 4.510559 4.198639 
6.948378 
1 1 1 2   -6  7  o 107.3831 2.962958  2392.667       131.5060 2588.891       
208.1543 2262.323       169.6512 110.9948 4.466876 103.7715 3.894035 7.223274 
5.925917 
1 1 1 2   -6  8  o 282.6110 5.738816  16869.93       677.1595 17288.70       
917.5723 16369.08       1003.480 286.5313 7.627625 278.6906 8.576445 7.840637 
11.47763 
1 1 1 2   -6  9  o 106.2655 2.911984  2355.572       127.7211 2463.928       
201.8703 2283.245       164.9277 108.2803 4.440626 104.2507 3.768216 4.029610 
5.823969 
1 1 1 2   -6  10 o 184.1577 3.644100  7189.553       257.6918 7279.185       
308.5422 6982.838       468.5652 186.1305 3.948372 182.1848 6.126028 3.945755 
7.288200 
1 1 1 2   -6  11 o 166.3452 2.772480  5791.016       191.6350 5658.719       
252.1922 5971.782       294.7924 164.1163 3.660167 168.5741 4.165304 -4.457748 
5.544960 
1 1 1 2   -6  12 o 301.6162 5.553207  19230.89       660.8962 19023.06       
1148.137 19333.88       808.2242 300.1722 9.110543 303.0602 6.352199 -2.887909 
11.10641 
1 1 1 2   -6  13 o 74.77789 3.008731  1191.631       87.90524 1130.787       
153.9727 1221.052       107.0697 73.32177 5.001863 76.23402 3.345328 -2.912254 
6.017463 
1 1 1 2   -6  14 o 76.73985 3.526104  1237.663       113.6043 0.000000       
0.000000 1237.663       113.6043 ?        ?        76.73985 3.526104 ? ? 
1 1 1 2   -6  15 o 213.9248 5.983528  9534.775       499.7859 10097.98       
900.2024 9283.820       600.9053 218.1132 9.830584 209.7364 6.824225 8.376801 
11.96706 
1 1 1 2   -6  16 o 181.2163 4.213825  6913.291       320.1965 7251.561       
467.1798 6613.619       439.7192 185.3806 6.002618 177.0519 5.915560 8.328735 
8.427649 
1 1 1 2   -6  17 o 170.8716 4.514730  6149.749       275.9373 6221.154       
566.1708 6127.502       316.0095 171.1927 7.877405 170.5505 4.413348 0.6422424 
9.029460 
1 1 1 2   -6  18 o 95.87090 3.851539  2035.935       139.4171 1719.138       
250.4612 2178.164       167.8202 90.05393 6.624587 101.6879 3.930937 -11.63393 
7.703078 
1 1 1 2   -6  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -6  20 f 150.0021 4.578485  4757.129       215.8502 4807.969       
525.6041 4746.815       236.7340 149.9182 8.350750 150.0860 3.757003 
-0.1677856     9.156970 
1 1 1 2   -6  21 o 118.5304 3.804649  2840.391       164.4730 3242.466       
337.2995 2714.968       188.3874 123.5760 6.501338 113.4848 3.953987 10.09122 
7.609297 
1 1 1 2   -6  22 o 164.4460 5.136249  5766.447       266.6974 5766.342       
643.1581 5766.469       293.0830 163.5940 9.364219 165.2980 4.223223 -1.704041 
10.27250 
1 1 1 2   -6  23 o 89.83009 4.001437  1698.434       128.9537 1746.728       
264.2821 1683.343       147.7341 90.37802 6.965079 89.28217 3.941277 1.095848 
8.002874 
1 1 1 2   -6  24 o 115.5627 3.859737  2823.349       168.1840 2894.830       
319.0228 2795.837       197.9216 116.1997 6.539399 114.9257 4.102016 1.274048 
7.719474 
1 1 1 2   -6  25 o 136.7962 3.888509  3927.135       210.6412 4224.471       
370.1871 3784.771       256.1521 140.1701 6.290525 133.4223 4.572887 6.747787 
7.777018 
1 1 1 2   -6  26 o 83.10657 3.276982  1452.470       101.7691 1520.813       
196.8056 1427.525       118.8999 84.12190 5.572493 82.09123 3.449893 2.030670 
6.553964 
1 1 1 2   -6  27 o 26.81528 5.688878  171.7933       70.92903 89.30443       
127.4722 208.7861       85.36448 23.35172 9.068651 30.27884 6.871163 -6.927126 
11.37776 
1 1 1 2   -6  28 o 114.1973 3.360548  2709.410       148.3116 3090.467       
276.0653 2554.809       175.8428 119.0773 5.522097 109.3173 3.831393 9.759979 
6.721096 
1 1 1 2   -6  29 f 42.97464 5.205338  436.9467       81.77719 398.4977       
150.1960 453.1476       97.49535 40.40418 9.076618 45.54510 5.098744 -5.140926 
10.41068 
1 1 1 2   -6  30 o 28.96593 5.591263  230.9352       80.64697 7.660869       
165.7759 300.1591       92.30609 21.35226 9.429873 36.57961 6.010524 -15.22736 
11.18253 
1 1 1 2   -6  31 o 26.16019 6.116814  135.4812       71.39994 266.5309       
141.5822 90.78602       82.68395 31.78319 9.713248 20.53718 7.437369 11.24601 
12.23363 
1 1 1 2   -6  32 o 39.57287 5.818724  430.3943       80.26639 323.4967       
167.0457 462.4846       91.52469 33.60103 10.60751 45.54471 4.786537 -11.94368 
11.63745 
1 1 1 2   -6  33 o 26.91638 7.694379  195.1382       121.9644 282.6255       
241.3324 165.1285       141.3429 29.06154 12.05598 24.77122 9.563854 4.290319 
15.38876 
1 1 1 2   -6  34 o 39.71896 7.847433  495.8178       127.9827 644.5308       
232.4562 431.1313       153.3110 41.66847 12.38885 37.76944 9.635623 3.899033 
15.69487 
1 1 1 2   -5  0  o 531.4576 8.887964  59783.87       1981.046 59400.57       
2862.781 60136.07       2744.221 529.7191 12.87252 533.1962 12.25895 -3.477112 
17.77593 
1 1 1 2   -5  1  o 311.4216 6.599784  20454.13       862.6558 20143.06       
1228.198 20757.00       1211.924 309.0645 9.465428 313.7786 9.199689 -4.714142 
13.19957 
1 1 1 2   -5  2  o 141.9574 2.649644  4225.530       146.7668 4254.221       
261.7243 4212.369       177.2605 142.2896 4.381190 141.6251 2.981211 0.6644287 
5.299287 
1 1 1 2   -5  3  o 104.6101 2.401703  2321.402       104.4165 2068.014       
153.2014 2541.220       142.6925 99.22072 3.677744 109.9995 3.089807 -10.77881 
4.803406 
1 1 1 2   -5  4  o 304.4788 6.345730  19381.17       790.5897 20243.72       
1281.739 18851.48       1004.418 309.7733 9.855456 299.1843 7.996445 10.58896 
12.69146 
1 1 1 2   -5  5  o 152.2009 3.685523  4862.978       235.3280 4698.051       
325.2675 5044.128       340.8901 149.4978 5.182350 154.9039 5.241713 -5.406036 
7.371045 
1 1 1 2   -5  6  o 263.9963 5.978957  14570.01       657.6985 15580.71       
1005.547 13814.35       869.4731 271.8939 8.808944 256.0988 8.086668 15.79507 
11.95791 
1 1 1 2   -5  7  o 217.0974 4.406360  9989.107       386.1732 9633.752       
635.0783 10197.58       486.4365 213.9474 7.070357 220.2473 5.260616 -6.299881 
8.812719 
1 1 1 2   -5  8  o 282.6859 6.493084  16833.17       769.4709 16558.97       
1056.196 17143.30       1123.293 280.2631 8.976350 285.1088 9.384334 -4.845703 
12.98617 
1 1 1 2   -5  9  o 508.8659 11.03519  54922.29       2327.110 56034.14       
3606.487 54129.13       3046.092 512.7595 16.75297 504.9724 14.36800 7.787109 
22.07038 
1 1 1 2   -5  10 f 321.2930 5.303354  21780.09       679.7211 21603.26       
1155.934 21873.55       840.3646 320.1346 8.600456 322.4515 6.207610 -2.316956 
10.60671 
1 1 1 2   -5  11 o 211.8039 3.628503  9256.674       224.6389 9677.937       
604.3937 9189.150       241.9733 214.4302 6.713592 209.1776 2.755327 5.252594 
7.257007 
1 1 1 2   -5  12 o 232.9311 4.262086  11476.70       350.3835 11303.24       
728.6984 11528.87       399.6111 231.6334 7.493205 234.2288 4.063669 -2.595413 
8.524173 
1 1 1 2   -5  13 o 318.3465 6.351826  21243.71       777.6877 21776.29       
1428.656 21019.44       927.0784 320.8042 10.60739 315.8888 6.990421 4.915405 
12.70365 
1 1 1 2   -5  14 o 234.5088 4.288032  11362.37       310.4397 11902.93       
781.6052 11261.13       338.2655 237.5190 7.838087 231.4986 3.480410 6.020462 
8.576063 
1 1 1 2   -5  15 o 78.64130 2.940293  1274.598       90.80321 1372.986       
162.5091 1229.937       109.4897 80.78175 4.791654 76.50083 3.409010 4.280922 
5.880586 
1 1 1 2   -5  16 o 215.2276 6.971823  9782.043       629.9749 9782.043       
629.9749 0.000000       0.000000 215.2276 6.971823 ?        ?        ? ? 
1 1 1 2   -5  17 o 203.8273 3.976802  8751.374       339.7766 8973.717       
496.9965 8556.257       465.5746 206.2340 5.740029 201.4206 5.505623 4.813385 
7.953604 
1 1 1 2   -5  18 o 194.2285 5.782263  7885.140       414.3983 8311.596       
819.1454 7738.459       480.4077 197.1190 9.898138 191.3379 5.980396 5.781113 
11.56453 
1 1 1 2   -5  19 o 56.20224 7.252683  671.3932       171.1320 0.000000       
0.000000 671.3932       171.1320 ?        ?        56.20224 7.252683 ? ? 
1 1 1 2   -5  20 o 86.26296 3.562513  1544.510       111.5875 1629.743       
226.2915 1517.125       128.2667 87.66225 6.148606 84.86367 3.600088 2.798584 
7.125025 
1 1 1 2   -5  21 o 134.1650 3.798745  3810.955       209.9944 3792.402       
329.8108 3823.605       272.3303 133.7892 5.871713 134.5407 4.821290 
-0.7514954     7.597490 
1 1 1 2   -5  22 o 40.70079 5.610313  384.3278       83.39374 308.0864       
157.0647 414.2588       98.41104 37.15039 9.891560 44.25120 5.297121 -7.100811 
11.22063 
1 1 1 2   -5  23 o 79.79501 3.393916  1278.152       105.2747 1528.567       
196.0039 1176.623       124.8046 84.91527 5.497941 74.67477 3.980870 10.24050 
6.787833 
1 1 1 2   -5  24 o 57.09299 4.213998  721.1142       90.68375 631.9001       
164.9195 759.7788       108.5705 54.26210 7.239298 59.92390 4.315516 -5.661800 
8.427996 
1 1 1 2   -5  25 o 69.52899 3.615323  1061.470       99.73409 921.0947       
164.7347 1142.694       125.3091 65.60650 5.980801 73.45148 4.063528 -7.844986 
7.230646 
1 1 1 2   -5  26 o 32.72841 6.185133  251.8255       83.25663 204.2203       
153.0002 271.8518       99.23537 30.61702 10.17801 34.83979 7.030761 -4.222767 
12.37027 
1 1 1 2   -5  27 o 46.37454 4.712341  428.3611       85.09785 581.1027       
160.6696 368.8073       100.3253 51.41686 7.443021 41.33222 5.781528 10.08464 
9.424682 
1 1 1 2   -5  28 o 21.25294 6.127355  49.85178       74.55379 82.84163       
156.3686 40.14619       84.81453 24.37517 9.853181 18.13071 7.286478 6.244463 
12.25471 
1 1 1 2   -5  29 o 26.07188 6.373972  141.4547       81.02753 194.0918       
141.7256 115.8948       98.76014 28.86404 9.795824 23.27973 8.157937 5.584314 
12.74794 
1 1 1 2   -5  30 o 59.23523 4.286123  703.7032       97.05756 987.3221       
190.4760 604.2376       112.8000 65.97702 6.876517 52.49344 5.118293 13.48358 
8.572247 
1 1 1 2   -5  31 o 33.22512 6.215894  234.6586       75.73069 377.0426       
165.6590 197.0410       85.14896 37.79285 10.20226 28.65739 7.103745 9.135460 
12.43179 
1 1 1 2   -5  32 o 32.09680 5.911412  240.0619       73.94079 323.8663       
141.8227 208.7794       86.64905 34.94902 9.442123 29.24459 7.115158 5.704433 
11.82282 
1 1 1 2   -5  33 o 72.30288 3.732314  1173.803       92.27345 1211.781       
199.4117 1163.455       104.0874 71.40252 6.652091 73.20324 3.386794 -1.800720 
7.464629 
1 1 1 2   -5  34 o 19.30107 6.435958  -27.17259      125.6683 -112.9648      
251.9803 1.230576       144.9860 20.15077 9.744126 18.45136 8.410603 1.699411 
12.87192 
1 1 1 2   -4  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -4  1  o 99.93098 2.265948  2065.022       85.56096 2024.579       
100.5085 2171.475       163.0632 98.19225 2.438073 101.6697 3.820193 -3.477486 
4.531895 
1 1 1 2   -4  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -4  3  o 547.8875 5.764153  63008.79       1292.199 64192.47       
2083.421 62268.78       1647.329 551.8544 8.992359 543.9207 7.213830 7.933716 
11.52831 
1 1 1 2   -4  4  o 52.13108 2.265247  568.2546       49.45762 519.4679       
67.58212 624.5106       72.57140 49.73233 3.236786 54.52983 3.169950 -4.797497 
4.530493 
1 1 1 2   -4  5  o 194.5385 4.317738  7959.303       352.4857 7967.165       
506.3334 7951.909       491.0001 194.6262 6.196640 194.4508 6.014407 0.1753998 
8.635476 
1 1 1 2   -4  6  o 126.6495 3.337866  3355.087       176.4700 3513.373       
266.5050 3231.495       235.4945 129.2912 4.909728 124.0079 4.523271 5.283333 
6.675733 
1 1 1 2   -4  7  o 116.6052 3.088863  2835.266       149.8731 2704.161       
197.3050 3014.097       230.4360 113.4486 4.142477 119.7618 4.583033 -6.313202 
6.177726 
1 1 1 2   -4  8  o 80.26559 2.376242  1355.998       79.90939 1429.288       
111.7119 1279.203       114.3522 82.49303 3.225547 78.03815 3.490266 4.454880 
4.752485 
1 1 1 2   -4  9  o 231.2723 5.444077  11219.61       526.3749 11718.13       
787.7354 10817.45       707.5215 235.8713 7.954745 226.6734 7.434645 9.197968 
10.88815 
1 1 1 2   -4  10 o 227.7965 4.243577  11004.81       352.7314 10730.83       
696.9401 11099.16       408.9799 225.7625 7.353002 229.8305 4.238531 -4.067993 
8.487154 
1 1 1 2   -4  11 o 478.7657 8.825554  48402.07       1580.430 48854.28       
3027.967 48232.74       1852.834 479.3453 15.04609 478.1862 9.229125 1.159119 
17.65111 
1 1 1 2   -4  12 o 487.5404 7.595581  50780.19       1384.093 49053.94       
2626.034 51444.19       1628.681 480.9559 13.00517 494.1249 7.850916 -13.16898 
15.19116 
1 1 1 2   -4  13 f 194.2798 3.889819  7973.497       302.4405 7823.514       
509.4433 8055.128       375.8380 192.8035 6.293641 195.7560 4.573057 -2.952499 
7.779638 
1 1 1 2   -4  14 o 200.6442 4.080763  8450.237       319.8041 8530.421       
569.4937 8413.305       386.4997 201.2477 6.740297 200.0407 4.602056 1.207031 
8.161527 
1 1 1 2   -4  15 o 350.6192 5.638359  26096.45       741.3687 25619.91       
1405.315 26280.22       872.6848 347.9469 9.620150 353.2916 5.883628 -5.344696 
11.27672 
1 1 1 2   -4  16 o 61.27375 3.190305  802.9383       78.08737 745.7415       
130.0739 835.1669       97.63952 59.51744 5.205554 63.03006 3.689768 -3.512619 
6.380610 
1 1 1 2   -4  17 o 67.91518 3.351622  969.6853       95.56542 0.000000       
0.000000 969.6853       95.56542 ?        ?        67.91518 3.351622 ? ? 
1 1 1 2   -4  18 o 143.1395 5.116209  4336.089       282.7554 4346.139       
512.8210 4331.700       338.9300 143.0122 8.541099 143.2668 5.634891 
-0.2545776     10.23242 
1 1 1 2   -4  19 o 271.7110 11.87357  15957.61       1354.464 0.000000       
0.000000 15957.61       1354.464 ?        ?        271.7110 11.87357 ? ? 
1 1 1 2   -4  20 o 90.10046 3.248112  1726.284       119.2092 1657.656       
191.5015 1769.703       152.3203 88.56558 5.150249 91.63535 3.959275 -3.069763 
6.496223 
1 1 1 2   -4  21 o 120.5931 3.752290  3074.547       184.3593 3084.282       
299.4015 3068.602       233.9782 120.6349 5.911557 120.5513 4.623008 
0.8366394E-01  7.504580 
1 1 1 2   -4  22 o 180.5822 4.993649  6697.116       339.5607 7487.152       
658.8077 6411.314       396.2482 187.0905 8.387413 174.0740 5.421937 13.01651 
9.987297 
1 1 1 2   -4  23 o 55.38368 4.056695  587.4176       88.05456 835.1818       
164.7695 488.3700       104.1788 62.71987 6.257383 48.04749 5.164519 14.67239 
8.113391 
1 1 1 2   -4  24 o 141.8831 4.451807  4188.695       230.1577 4487.934       
465.4004 4091.819       264.8058 144.6726 7.662342 139.0936 4.534627 5.579025 
8.903613 
1 1 1 2   -4  25 o 35.16023 5.598330  208.7193       82.79327 491.3613       
154.6907 95.24987       98.01339 47.70718 7.723276 22.61329 8.106553 25.09390 
11.19666 
1 1 1 2   -4  26 o 144.4301 4.808077  4369.188       255.8070 4774.528       
510.1757 4233.055       295.6588 147.8915 8.216702 140.9687 4.995619 6.922867 
9.616154 
1 1 1 2   -4  27 o 38.20602 5.709826  319.5873       82.55934 345.4479       
155.7082 309.4739       97.37365 38.53653 9.639006 37.87550 6.123561 0.6610222 
11.41965 
1 1 1 2   -4  28 o 20.37812 5.640332  58.18258       73.27190 -51.81079      
133.9249 105.1726       87.53488 18.28107 8.245368 22.47517 7.698524 -4.194101 
11.28066 
1 1 1 2   -4  29 f 35.81511 6.169898  317.6310       88.24857 241.6983       
167.6644 346.7277       103.7884 31.91709 10.65460 39.71314 6.224947 -7.796049 
12.33980 
1 1 1 2   -4  30 o 65.20861 3.999748  854.8492       98.87839 1135.658       
195.4886 758.3107       114.6217 71.26780 6.533551 59.14943 4.615696 12.11837 
7.999496 
1 1 1 2   -4  31 o 22.80166 6.289007  79.96097       72.89328 161.4205       
161.6682 59.17503       81.66550 26.94539 10.27410 18.65794 7.255986 8.287457 
12.57801 
1 1 1 2   -4  32 o 18.34149 5.256150  40.90035       68.51860 -126.8976      
137.9083 95.89775       78.95292 15.90540 7.571140 20.77759 7.292893 -4.872189 
10.51230 
1 1 1 2   -4  33 o 33.76938 6.057984  296.8319       81.77844 287.8834       
149.3235 300.6658       97.73913 32.25019 9.999658 35.28858 6.841311 -3.038391 
12.11597 
1 1 1 2   -4  34 o 38.64747 6.209190  355.3578       88.02547 532.9354       
179.0839 298.7865       101.0788 42.94006 10.09300 34.35489 7.235155 8.585175 
12.41838 
1 1 1 2   -4  35 o 32.18097 7.626457  364.4986       122.3646 330.4577       
241.1555 376.3018       142.0028 28.88879 12.02208 35.47315 9.387275 -6.584366 
15.25291 
1 1 1 2   -3  0  o 324.1334 5.574374  22015.40       660.5457 21903.61       
764.0411 22346.21       1314.361 322.7619 5.638395 325.5049 9.617853 -2.742950 
11.14875 
1 1 1 2   -3  1  o 369.6350 5.421975  28592.80       729.9879 28418.32       
842.5568 29118.02       1461.854 367.6594 5.458516 371.6107 9.369944 -3.951294 
10.84395 
1 1 1 2   -3  2  o 277.3384 6.202509  16207.27       721.9713 16291.58       
1035.257 16127.44       1007.358 278.0285 8.869107 276.6484 8.673144 1.380035 
12.40502 
1 1 1 2   -3  3  o 336.3216 7.282732  23831.24       1025.683 23326.40       
1395.105 24425.11       1513.143 332.5047 9.993792 340.1385 10.59608 -7.633820 
14.56546 
1 1 1 2   -3  4  o 324.9327 5.533824  22361.62       701.8657 22588.35       
850.9304 21879.10       1241.377 327.7139 6.184722 322.1515 9.178348 5.562469 
11.06765 
1 1 1 2   -3  5  o 126.8630 2.665237  3369.177       140.5787 3463.135       
215.5965 3299.683       185.4159 128.3905 3.999722 125.3355 3.523659 3.055054 
5.330473 
1 1 1 2   -3  6  o 272.5533 5.846885  15448.39       643.1586 14948.93       
799.5058 16364.36       1082.709 266.5104 7.145432 278.5963 9.256731 -12.08588 
11.69377 
1 1 1 2   -3  7  o 139.6312 3.500287  4097.167       204.9609 4082.906       
282.9535 4112.909       297.2951 139.3797 4.835446 139.8828 5.062261 
-0.5031128     7.000573 
1 1 1 2   -3  8  o 125.5572 2.204962  3292.872       114.5926 3207.479       
149.1160 3416.041       179.0863 123.5847 2.873960 127.5297 3.344815 -3.945045 
4.409924 
1 1 1 2   -3  9  o 26.34725 3.395514  141.9434       34.13948 167.1028       
62.50764 131.2480       40.75491 27.69967 5.570868 24.99483 3.883745 2.704844 
6.791027 
1 1 1 2   -3  10 o 295.5219 5.437987  18370.71       650.8272 18466.69       
1073.694 18314.96       818.2958 296.0093 8.639648 295.0344 6.606307 0.9749451 
10.87597 
1 1 1 2   -3  11 o 105.4951 2.530944  2320.918       99.21516 2374.292       
192.9651 2301.738       115.6767 106.2965 4.323952 104.6937 2.631760 1.602806 
5.061889 
1 1 1 2   -3  12 o 178.2312 3.691198  6457.884       233.4066 7094.993       
494.7878 6275.530       264.7105 183.6265 6.418072 172.8359 3.648030 10.79066 
7.382396 
1 1 1 2   -3  13 o 338.5913 6.356512  24389.85       874.4391 23349.59       
1412.736 25035.93       1113.345 332.4641 10.12133 344.7185 7.692834 -12.25443 
12.71302 
1 1 1 2   -3  14 f 588.0626 7.822005  73276.59       1892.145 73604.56       
2446.346 72788.24       2985.172 590.1951 9.872869 585.9302 12.13514 4.264954 
15.64401 
1 1 1 2   -3  15 f 248.7171 4.684991  13096.61       477.0367 12723.42       
758.7186 13340.58       613.4607 245.6727 7.356054 251.7616 5.803880 -6.088867 
9.369982 
1 1 1 2   -3  16 f 165.2126 3.060386  5737.109       210.1316 5758.939       
321.0512 5720.749       277.9326 165.4670 4.621510 164.9581 4.013165 0.5089264 
6.120771 
1 1 1 2   -3  17 o 236.3936 4.203647  11173.24       277.5143 12609.67       
802.0186 10977.87       295.7859 244.2293 7.821818 228.5579 3.082494 15.67142 
8.407294 
1 1 1 2   -3  18 o 266.0425 8.648674  14973.45       934.3185 14388.71       
1170.477 16000.37       1551.141 259.6342 10.73797 272.4509 13.56076 -12.81671 
17.29735 
1 1 1 2   -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -3  20 o 99.33944 3.832863  2016.079       134.7256 2216.197       
286.4637 1959.244       152.6630 102.2270 6.674601 96.45193 3.770023 5.775024 
7.665727 
1 1 1 2   -3  21 o 73.56898 3.569638  1144.453       92.86300 1142.904       
193.0990 1144.919       105.9148 73.40156 6.266078 73.73642 3.421336 
-0.3348618     7.139277 
1 1 1 2   -3  22 o 63.23016 3.764560  732.3742       86.25761 1083.524       
187.3146 637.8705       97.17395 71.46810 6.242814 54.99222 4.208910 16.47588 
7.529120 
1 1 1 2   -3  23 o 87.45242 3.628220  1582.211       117.1319 1690.700       
232.3277 1545.237       135.6311 89.27486 6.198590 85.62997 3.772719 3.644890 
7.256441 
1 1 1 2   -3  24 o 42.59546 5.629332  481.2625       82.97096 238.7995       
159.4480 571.2952       97.16199 33.18493 10.34189 52.00599 4.450042 -18.82106 
11.25866 
1 1 1 2   -3  25 o 45.73497 4.727514  403.5633       84.59784 575.1628       
158.8958 335.6788       99.94003 51.77540 7.309875 39.69455 5.996940 12.08085 
9.455028 
1 1 1 2   -3  26 o 64.63029 3.915322  901.1749       96.46373 866.4861       
176.7148 915.8987       115.1300 63.50999 6.627532 65.75059 4.170708 -2.240597 
7.830644 
1 1 1 2   -3  27 o 114.1286 3.935780  2769.287       170.5966 2837.920       
319.4965 2741.915       201.7669 114.6315 6.638700 113.6256 4.229554 1.005898 
7.871561 
1 1 1 2   -3  28 o 104.0281 3.614205  2349.098       146.6146 2242.189       
257.3999 2400.443       178.3800 101.8257 6.021049 106.2306 3.999610 -4.404900 
7.228410 
1 1 1 2   -3  29 o 29.80957 6.617857  186.7084       84.06158 260.8506       
162.9908 159.8405       98.11768 33.13583 10.47974 26.48331 8.084496 6.652519 
13.23571 
1 1 1 2   -3  30 o 83.41793 3.588237  1449.833       117.9995 1695.649       
212.5712 1340.351       141.8639 87.90931 5.759577 78.92655 4.281243 8.982758 
7.176474 
1 1 1 2   -3  31 o 68.59998 3.724444  998.7276       93.63954 1108.980       
188.3638 962.5374       107.9193 70.31207 6.380997 66.88787 3.843020 3.424202 
7.448887 
1 1 1 2   -3  32 o 74.82263 3.610062  1291.436       101.7079 1101.146       
182.3088 1377.424       122.5520 69.72074 6.228259 79.92453 3.652256 -10.20379 
7.220123 
1 1 1 2   -3  33 o 25.90974 6.242365  168.2620       78.98244 143.8054       
145.7811 178.4236       93.96909 25.05172 9.704412 26.76776 7.854479 -1.716047 
12.48473 
1 1 1 2   -3  34 o 33.90068 5.889337  235.8602       82.97549 534.2149       
157.2106 120.6541       97.69067 45.38725 8.563346 22.41412 8.087413 22.97313 
11.77867 
1 1 1 2   -3  35 o 40.22454 6.228223  390.2219       91.12778 612.8651       
186.7241 320.6143       104.4056 45.30500 10.08049 35.14409 7.317564 10.16091 
12.45645 
1 1 1 2   -2  0  o 274.8820 4.633763  15895.73       534.5991 15881.93       
746.7724 15910.22       765.6557 274.7670 6.473584 274.9971 6.631724 
-0.2301636     9.267527 
1 1 1 2   -2  1  o 198.2819 3.895955  8312.132       320.9549 7912.825       
483.6253 8626.410       429.0562 193.9778 5.938519 202.5860 5.044588 -8.608292 
7.791911 
1 1 1 2   -2  2  o 232.5399 2.647065  11280.35       246.4612 11620.00       
419.8069 11101.72       304.4508 235.1684 4.251985 229.9115 3.154115 5.256866 
5.294130 
1 1 1 2   -2  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -2  4  o 126.3472 3.168300  3340.216       167.1282 3484.008       
252.0530 3227.394       223.2665 128.7582 4.662706 123.9362 4.290882 4.822014 
6.336600 
1 1 1 2   -2  5  o 60.55225 2.280580  766.5156       57.81149 724.6000       
78.22612 816.9589       85.81549 58.73722 3.172192 62.36728 3.277404 -3.630058 
4.561160 
1 1 1 2   -2  6  o 169.4560 4.040407  6016.678       286.6328 5773.715       
388.1704 6308.009       425.0559 165.7137 5.579368 173.1982 5.845529 -7.484436 
8.080813 
1 1 1 2   -2  7  o 60.12502 2.347824  749.1104       58.63137 694.3743       
76.48769 827.0977       91.29926 57.49907 3.168486 62.75097 3.465516 -5.251907 
4.695648 
1 1 1 2   -2  8  o 281.0363 5.726568  16651.69       660.9754 16557.04       
1048.244 16714.16       851.6138 280.2735 8.908433 281.7991 7.198203 -1.525665 
11.45314 
1 1 1 2   -2  9  o 81.10823 2.237365  1417.485       69.73575 1291.046       
124.4582 1475.347       84.19347 78.39443 3.781458 83.82203 2.392441 -5.427597 
4.474730 
1 1 1 2   -2  10 f 238.6959 3.246351  12000.40       324.0351 12313.54       
442.4564 11638.17       475.8763 242.0752 4.353527 235.3166 4.816844 6.758591 
6.492702 
1 1 1 2   -2  11 o 577.5121 7.664465  70224.88       1816.214 71541.27       
2904.852 69379.99       2327.176 581.5683 11.89719 573.4559 9.666076 8.112427 
15.32893 
1 1 1 2   -2  12 o 143.9593 2.658748  4180.965       150.3905 4840.497       
272.8150 3893.054       180.2515 151.7741 4.281457 136.1444 3.153552 15.62968 
5.317496 
1 1 1 2   -2  13 o 567.8444 8.152263  68925.38       1225.894 67302.08       
3631.015 69134.23       1302.364 562.3038 15.38077 573.3850 5.410122 -11.08118 
16.30453 
1 1 1 2   -2  14 o 88.17686 2.188678  1641.514       79.38171 1590.089       
124.4803 1676.760       103.0556 87.00127 3.407973 89.35247 2.747173 -2.351204 
4.377355 
1 1 1 2   -2  15 o 134.6356 2.551644  3754.922       127.6100 3924.021       
249.6022 3695.082       148.4821 136.6304 4.351333 132.6408 2.666355 3.989548 
5.103288 
1 1 1 2   -2  16 o 40.92428 3.312315  337.0860       54.27085 402.0599       
95.08772 305.6953       66.09310 43.71494 5.181024 38.13362 4.128281 5.581326 
6.624629 
1 1 1 2   -2  17 o 107.2500 2.643810  2254.095       95.79401 2700.348       
221.6120 2151.553       106.2314 113.2925 4.659217 101.2074 2.500125 12.08518 
5.287620 
1 1 1 2   -2  18 o 234.8405 4.819436  11374.54       424.6689 12253.58       
822.6294 11055.17       495.8491 240.5841 8.144385 229.0968 5.155271 11.48727 
9.638871 
1 1 1 2   -2  19 o 152.8262 4.288208  4908.513       244.5610 4983.904       
471.1857 4880.714       286.1185 153.4188 7.315342 152.2336 4.476684 1.185165 
8.576417 
1 1 1 2   -2  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -2  21 o 130.4816 4.615587  3523.450       214.6734 3782.005       
448.8355 3446.759       244.4464 133.1559 8.028747 127.8073 4.555635 5.348602 
9.231174 
1 1 1 2   -2  22 o 162.2161 3.870622  5434.537       247.9053 5963.916       
440.5015 5189.153       299.9071 167.6537 6.258285 156.7785 4.556394 10.87515 
7.741244 
1 1 1 2   -2  23 o 91.06934 3.454192  1744.392       122.8111 1773.393       
219.1560 1731.115       148.2807 91.51293 5.704165 90.62573 3.897213 0.8871994 
6.908384 
1 1 1 2   -2  24 o 124.2931 3.321245  3277.665       168.3268 3203.388       
270.9691 3324.338       214.7984 123.0443 5.245410 125.5420 4.075335 -2.497681 
6.642490 
1 1 1 2   -2  25 o 95.48601 3.763013  1914.660       133.9753 1974.847       
259.2926 1892.739       156.4823 96.28084 6.414627 94.69118 3.936197 1.589653 
7.526027 
1 1 1 2   -2  26 o 104.7419 3.833044  2352.993       150.6454 2293.847       
284.3784 2376.064       177.6137 103.4913 6.545063 105.9925 3.991373 -2.501205 
7.666089 
1 1 1 2   -2  27 o 94.43240 3.480585  1751.090       118.2030 2193.539       
252.1882 1626.523       133.8119 101.1798 5.936792 87.68497 3.634884 13.49486 
6.961170 
1 1 1 2   -2  28 o 67.51350 3.812289  966.7533       100.0979 1005.520       
180.5710 949.5560       120.2681 68.22041 6.304558 66.80658 4.287975 1.413834 
7.624578 
1 1 1 2   -2  29 o 55.60241 4.241658  702.8940       90.33586 585.2227       
156.7524 761.4082       110.5376 51.52888 7.245771 59.67593 4.411965 -8.147049 
8.483315 
1 1 1 2   -2  30 o 22.86537 5.900107  104.9314       76.34138 -5.321733      
145.1008 147.1320       89.77048 20.36087 8.915269 25.36986 7.730657 -5.008989 
11.80021 
1 1 1 2   -2  31 o 30.91323 5.655956  245.4521       73.31674 144.0774       
144.7321 280.4459       85.03452 26.14345 9.784711 35.68303 5.676160 -9.539579 
11.31191 
1 1 1 2   -2  32 f 17.71079 5.360553  22.20834       67.49253 -68.96335      
138.8167 50.43215       77.23598 17.57179 8.095362 17.84980 7.029028 
-0.2780037     10.72111 
1 1 1 2   -2  33 o 44.42402 4.806821  398.7987       82.57342 628.4989       
159.7518 315.0559       96.45814 51.66607 7.364809 37.18196 6.179134 14.48410 
9.613642 
1 1 1 2   -2  34 o 47.30450 5.476373  614.2108       89.56638 394.0902       
160.7293 713.3497       107.8665 37.85147 9.973535 56.75752 4.526727 -18.90604 
10.95275 
1 1 1 2   -2  35 o 51.75343 5.802187  723.5604       114.7557 509.8549       
173.7124 889.0360       152.8586 42.03801 9.978843 61.46885 5.923193 -19.43084 
11.60437 
1 1 1 2   -2  36 o 23.32042 6.787485  150.2239       108.1861 97.13672       
187.5114 176.7133       132.4553 22.13001 9.876541 24.51083 9.313096 -2.380819 
13.57497 
1 1 1 2   -1  0  o 341.0776 5.548166  24318.72       583.9348 24234.53       
637.0507 24761.42       1460.732 339.6036 4.468099 342.5517 10.15700 -2.948090 
11.09633 
1 1 1 2   -1  1  o 443.9747 5.772935  41447.79       1076.053 0.000000       
0.000000 41447.79       1076.053 ?        ?        443.9747 5.772935 ? ? 
1 1 1 2   -1  2  o 355.8135 5.916243  27112.78       705.1437 27413.08       
790.0917 25937.22       1563.234 361.1225 5.211276 350.5045 10.62310 10.61795 
11.83249 
1 1 1 2   -1  3  o 104.1996 2.727704  2279.579       119.0049 2263.137       
162.1563 2298.772       175.1957 103.7954 3.721149 104.6038 3.989302 
-0.8084793     5.455408 
1 1 1 2   -1  4  o 283.0060 5.561474  16773.54       608.8958 17103.25       
1105.997 16630.15       729.3835 284.8205 9.249190 281.1914 6.178385 3.629120 
11.12295 
1 1 1 2   -1  5  o 345.5882 7.501439  25179.31       1081.549 24907.54       
1447.001 25523.33       1628.034 343.5825 10.03134 347.5940 11.15610 -4.011505 
15.00288 
1 1 1 2   -1  6  o 173.9265 4.155400  6331.214       301.8993 6081.084       
403.9206 6647.809       454.4286 170.0639 5.657245 177.7890 6.088100 -7.725143 
8.310800 
1 1 1 2   -1  7  o 320.4448 6.640167  21617.06       884.5774 21903.14       
1352.733 21403.34       1169.202 322.1977 10.00024 318.6919 8.738557 3.505798 
13.28033 
1 1 1 2   -1  8  o 239.0230 2.983226  11762.91       252.7650 11560.92       
287.2672 12455.54       531.9482 234.6265 2.916286 243.4195 5.205173 -8.792953 
5.966451 
1 1 1 2   -1  9  o 82.24153 2.029197  1363.402       66.54980 1600.640       
117.3636 1250.972       80.79467 87.29862 3.202191 77.18443 2.493297 10.11419 
4.058393 
1 1 1 2   -1  10 o 257.6714 3.413733  13973.52       357.9731 14032.97       
454.0943 13875.93       581.8231 258.4353 4.185191 256.9076 5.394300 1.527679 
6.827466 
1 1 1 2   -1  11 o 322.6039 5.449071  21874.74       567.8781 21980.25       
1336.597 21851.50       627.3127 322.7535 9.863946 322.4544 4.633796 0.2991333 
10.89814 
1 1 1 2   -1  12 o 186.4593 2.305796  7315.532       179.3339 7422.833       
241.2786 7183.083       268.0637 187.9963 3.056966 184.9223 3.452786 3.073990 
4.611591 
1 1 1 2   -1  13 o 173.2917 3.104280  6359.585       220.8836 6066.095       
346.6247 6560.249       286.6146 169.8779 4.860084 176.7056 3.863394 -6.827713 
6.208561 
1 1 1 2   -1  14 o 230.2446 2.897192  11144.58       279.7798 11258.34       
388.2707 11021.71       403.5059 231.4731 3.995353 229.0161 4.196671 2.457016 
5.794384 
1 1 1 2   -1  15 o 78.22614 2.560117  1208.331       75.82983 1465.877       
148.4197 1117.354       88.21202 83.51486 4.233006 72.93741 2.880703 10.57745 
5.120234 
1 1 1 2   -1  16 o 366.1904 4.971621  28235.56       615.2164 28291.97       
1363.915 28221.15       689.3256 366.0057 8.876067 366.3750 4.481462 
-0.3692322     9.943242 
1 1 1 2   -1  17 o 152.2459 3.082255  4884.194       184.7858 4845.274       
322.6212 4903.196       225.4255 151.7469 5.064006 152.7449 3.515258 
-0.9980621     6.164511 
1 1 1 2   -1  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   -1  19 o 241.5603 5.758943  12416.55       454.5014 12285.15       
1048.479 12446.96       504.3514 240.0449 10.40371 243.0756 4.942117 -3.030640 
11.51789 
1 1 1 2   -1  20 o 65.93022 3.431002  791.5964       73.44887 1125.147       
185.3798 729.4853       79.99563 72.96696 6.051419 58.89348 3.235341 14.07349 
6.862004 
1 1 1 2   -1  21 o 39.64970 5.480994  332.2858       91.23849 0.000000       
0.000000 332.2858       91.23849 ?        ?        39.64970 5.480994 ? ? 
1 1 1 2   -1  22 o 71.58533 3.384174  1105.398       98.59316 975.4808       
154.5706 1194.512       128.0166 67.90150 5.422114 75.26917 4.051076 -7.367661 
6.768348 
1 1 1 2   -1  23 o 138.9513 4.383147  4015.680       227.7187 4271.485       
442.0328 3923.264       265.6874 141.5906 7.436030 136.3121 4.642561 5.278488 
8.766294 
1 1 1 2   -1  24 o 161.0151 3.879081  5426.464       252.4055 5709.956       
422.8699 5269.565       314.5923 164.0790 6.138678 157.9512 4.744017 6.127777 
7.758162 
1 1 1 2   -1  25 o 131.3290 3.873772  3638.869       207.2951 3721.917       
338.1069 3588.848       262.3984 132.3799 6.083495 130.2782 4.797450 2.101624 
7.747544 
1 1 1 2   -1  26 o 94.08578 3.780230  1888.771       139.5646 1856.261       
244.4137 1904.499       170.0064 93.28120 6.240976 94.89036 4.267409 -1.609154 
7.560460 
1 1 1 2   -1  27 o 74.92017 3.660578  1137.308       107.3031 1355.858       
197.1254 1045.282       127.9147 79.62862 5.896501 70.21171 4.339422 9.416916 
7.321155 
1 1 1 2   -1  28 o 120.8020 3.938190  3130.767       179.9353 3114.622       
336.7382 3137.218       212.8745 120.0511 6.681091 121.5529 4.171375 -1.501854 
7.876379 
1 1 1 2   -1  29 o 20.13806 5.939001  1.428807       81.18557 99.93645       
141.0423 -47.38206      99.28246 24.66853 9.547571 15.60758 7.066174 9.060952 
11.87800 
1 1 1 2   -1  30 o 71.28850 4.019516  1157.344       104.5361 990.5445       
197.8220 1221.967       123.1323 66.90012 7.043179 75.67687 3.875519 -8.776756 
8.039031 
1 1 1 2   -1  31 o 82.54552 3.741091  1530.635       108.2573 1398.872       
220.9765 1572.245       124.1801 79.24966 6.641555 85.84137 3.445692 -6.591713 
7.482182 
1 1 1 2   -1  32 o 53.44139 4.583243  643.8476       86.91354 637.9484       
177.1241 645.7185       99.74783 52.29688 8.067202 54.58591 4.352552 -2.289032 
9.166486 
1 1 1 2   -1  33 o 63.74744 3.754888  842.0358       90.19975 1047.571       
177.8820 770.8950       104.6521 67.96441 6.234068 59.53047 4.187257 8.433937 
7.509776 
1 1 1 2   -1  34 o 33.18705 5.815166  307.3560       80.28683 181.9887       
156.8665 351.8528       93.45512 26.96110 10.16692 39.41301 5.647868 -12.45191 
11.63033 
1 1 1 2   -1  35 f 44.68377 5.776405  509.6697       100.8228 498.3506       
167.6146 516.0872       126.2082 42.63020 9.596723 46.73735 6.431977 -4.107155 
11.55281 
1 1 1 2   -1  36 o 33.23285 7.394582  326.0107       108.2383 465.0414       
195.6881 264.7269       129.9217 36.72001 11.45974 29.74568 9.348458 6.974335 
14.78916 
1 1 1 2   0   0  o 292.2790 4.037342  17846.95       449.7529 17689.39       
532.7756 18237.66       838.9717 290.1487 4.373657 294.4093 6.787610 -4.260559 
8.074684 
1 1 1 2   0   1  o 59.19904 1.863670  736.0825       46.16629 733.9274       
68.06272 737.9189       62.82888 59.11790 2.742278 59.28017 2.524474 
-0.1622734     3.727339 
1 1 1 2   0   2  o 520.8414 6.619363  57072.55       1447.440 57072.55       
1447.440 0.000000       0.000000 520.8414 6.619363 ?        ?        ? ? 
1 1 1 2   0   3  o 381.1854 5.573251  30554.81       703.3429 30527.79       
782.6891 30668.18       1603.169 381.1175 4.891605 381.2533 10.01582 
-0.1358032     11.14650 
1 1 1 2   0   4  o 308.9294 5.811698  20010.90       709.6357 19832.38       
866.1351 20375.46       1237.708 307.0184 6.719582 310.8403 9.484228 -3.821869 
11.62340 
1 1 1 2   0   5  o 222.3330 4.903078  10392.90       457.1926 10213.46       
630.1347 10592.37       664.3577 220.3177 6.812478 224.3483 7.053428 -4.030655 
9.806156 
1 1 1 2   0   6  o 104.8614 2.716574  2304.615       119.4546 2192.652       
164.2434 2430.349       174.0515 102.1641 3.829223 107.5587 3.854368 -5.394623 
5.433148 
1 1 1 2   0   7  o 152.7095 3.074459  4908.383       180.1421 4879.453       
329.9932 4920.665       215.0045 152.3584 5.158929 153.0606 3.345839 
-0.7021790     6.148918 
1 1 1 2   0   8  o 255.8958 3.935884  13964.12       377.9483 13327.31       
710.9145 14215.02       446.2345 251.6776 6.728124 260.1141 4.086207 -8.436523 
7.871768 
1 1 1 2   0   9  o 163.6274 2.297368  5669.820       155.9673 5274.557       
234.5126 5983.317       208.8528 158.4637 3.524986 168.7911 2.947214 -10.32741 
4.594736 
1 1 1 2   0   10 o 223.8122 3.207709  10676.13       255.3627 10244.37       
521.8278 10812.08       292.8201 220.7300 5.631017 226.8944 3.073960 -6.164368 
6.415417 
1 1 1 2   0   11 o 207.9453 2.913445  9257.912       239.1826 8563.485       
407.7608 9622.178       295.3257 201.8535 4.811608 214.0370 3.286499 -12.18344 
5.826890 
1 1 1 2   0   12 o 197.6457 2.213420  8204.997       183.5458 8191.011       
264.2939 8218.028       255.0962 197.4810 3.187740 197.8103 3.071681 
-0.3292694     4.426839 
1 1 1 2   0   13 o 323.0343 3.227218  22045.97       419.6320 21520.18       
697.0130 22344.89       525.5496 319.9424 5.189078 326.1263 3.838388 -6.183899 
6.454437 
1 1 1 2   0   14 o 332.5320 4.809208  23310.52       668.6907 23690.46       
909.9611 22864.48       985.9456 335.5266 6.459768 329.5375 7.126383 5.989105 
9.618417 
1 1 1 2   0   15 o 178.1392 2.439315  6657.525       179.1150 6619.696       
231.8998 6713.465       282.0002 177.5254 3.111437 178.7530 3.757657 -1.227615 
4.878629 
1 1 1 2   0   16 o 270.0961 3.143334  15341.99       356.2778 15804.27       
502.3146 14874.00       505.4055 274.1991 4.363458 265.9930 4.525753 8.206116 
6.286668 
1 1 1 2   0   17 o 54.77493 2.447627  624.2430       55.91860 684.0559       
85.23358 579.0438       74.09321 57.05425 3.558310 52.49561 3.361836 4.558643 
4.895254 
1 1 1 2   0   18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   0   19 o 135.7370 2.539597  3891.832       143.8331 3686.010       
212.1622 4066.882       195.6598 132.3861 3.817215 139.0879 3.350684 -6.701767 
5.079194 
1 1 1 2   0   20 o 161.2715 3.172394  5384.147       177.1314 5644.588       
384.2506 5313.870       199.6047 163.5567 5.595866 158.9862 2.990420 4.570435 
6.344788 
1 1 1 2   0   21 o 124.9365 3.276022  3386.959       149.4787 3095.482       
289.7747 3492.642       174.4857 121.0238 5.703098 128.8492 3.225516 -7.825409 
6.552044 
1 1 1 2   0   22 o 114.8026 3.930865  2844.235       178.6435 2613.084       
302.0209 2968.628       221.5571 110.9824 6.481924 118.6227 4.448759 -7.640327 
7.861730 
1 1 1 2   0   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   0   24 o 194.6752 4.198507  7911.133       333.4493 8530.959       
548.3726 7547.500       420.0232 200.4472 6.516235 188.9033 5.296084 11.54398 
8.397014 
1 1 1 2   0   25 o 211.5461 5.013658  9595.802       435.7437 9206.395       
683.0918 9862.974       565.8128 207.5622 7.838842 215.5299 6.252968 -7.967773 
10.02732 
1 1 1 2   0   26 o 42.81107 5.557482  467.2111       87.90719 239.2779       
149.6939 587.1923       108.6067 32.96894 9.970162 52.65318 4.913073 -19.68424 
11.11496 
1 1 1 2   0   27 o 130.1418 4.091074  3622.519       211.8742 3582.777       
361.3602 3643.339       261.5484 129.2586 6.658892 131.0251 4.754651 -1.766510 
8.182148 
1 1 1 2   0   28 o 95.27699 3.565899  1941.703       135.6360 1911.807       
229.5500 1957.739       168.1242 94.48358 5.786848 96.07041 4.168324 -1.586830 
7.131797 
1 1 1 2   0   29 o 16.69841 5.393298  -90.46159      77.69582 7.140064       
140.0935 -133.8175      93.37126 20.84614 8.938106 12.55068 6.038287 8.295460 
10.78660 
1 1 1 2   0   30 o 64.63101 3.989262  946.8644       98.36716 792.2634       
172.2393 1021.698       119.8320 60.07323 6.829241 69.18880 4.125326 -9.115562 
7.978524 
1 1 1 2   0   31 o 76.25774 3.534312  1182.754       99.15945 1422.808       
202.2925 1106.832       113.7643 80.53939 5.982635 71.97609 3.764773 8.563301 
7.068624 
1 1 1 2   0   32 o 34.71967 5.837088  314.4256       76.49171 212.8947       
161.8185 343.6402       86.80177 29.81714 10.44308 39.62220 5.218084 -9.805059 
11.67418 
1 1 1 2   0   33 o 31.88460 5.982468  271.7935       80.48000 156.4416       
167.8233 306.2435       91.71371 26.78865 10.40503 36.98055 5.907203 -10.19190 
11.96494 
1 1 1 2   0   34 o 14.79077 5.078100  -114.5452      76.28938 -139.0383      
167.1776 -108.1032      85.73701 17.50604 8.334433 12.07550 5.803933 5.430535 
10.15620 
1 1 1 2   0   35 o 37.38595 6.541749  387.2718       103.5341 298.8140       
161.2236 449.3525       135.0639 32.38353 10.44124 42.38836 7.884069 -10.00483 
13.08350 
1 1 1 2   0   36 o 31.72845 6.886743  321.3267       108.8304 192.9748       
193.2856 380.9070       131.6891 26.01444 10.79046 37.44245 8.560078 -11.42800 
13.77349 
1 1 1 2   1   0  o 310.4789 4.449359  20168.33       497.4344 20067.17       
571.0534 20486.56       1012.821 309.0328 4.401423 311.9249 7.733993 -2.892029 
8.898718 
1 1 1 2   1   1  o 101.7397 2.178081  2179.122       91.15928 2147.424       
143.5678 2200.535       117.9982 101.1132 3.381972 102.3661 2.745618 -1.252899 
4.356163 
1 1 1 2   1   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   1   3  o 322.5381 6.101230  21909.80       809.4353 21866.54       
1044.472 21974.84       1280.758 322.2612 7.719867 322.8149 9.450063 
-0.5537720     12.20246 
1 1 1 2   1   4  o 44.02684 2.233316  401.3745       40.91604 484.8256       
61.77812 336.1641       54.61055 48.04682 3.062605 40.00685 3.251346 8.039970 
4.466632 
1 1 1 2   1   5  o 336.7255 6.394586  23840.89       878.4370 23650.58       
1115.382 24151.75       1425.501 335.1219 7.927602 338.3291 10.03574 -3.207184 
12.78917 
1 1 1 2   1   6  o 81.34279 1.944604  1374.935       63.36573 1437.565       
108.1883 1342.231       78.17826 82.73362 3.114721 79.95197 2.329045 2.781654 
3.889208 
1 1 1 2   1   7  o 42.92985 2.117591  379.6581       35.42244 406.7599       
64.26505 367.8309       42.45372 44.00588 3.478446 41.85381 2.416027 2.152069 
4.235182 
1 1 1 2   1   8  o 200.4549 3.763903  8113.586       261.7292 9045.507       
574.6844 7869.705       293.9883 207.3524 6.601481 193.5573 3.617775 13.79509 
7.527805 
1 1 1 2   1   9  o 258.4150 2.401879  13897.31       257.7569 13207.00       
337.0171 14870.18       400.0910 250.7631 3.201175 266.0669 3.581698 -15.30386 
4.803758 
1 1 1 2   1   10 o 149.4122 2.034631  4657.648       127.1943 5084.124       
189.5544 4308.341       171.5500 155.5927 2.901790 143.2317 2.852808 12.36092 
4.069262 
1 1 1 2   1   11 o 152.4179 2.196755  4838.896       133.9314 5010.329       
228.8873 4749.640       165.1574 154.4426 3.530006 150.3932 2.615719 4.049454 
4.393510 
1 1 1 2   1   12 o 188.1596 2.148391  7441.486       159.7285 7453.066       
195.3698 7418.142       277.3888 188.3963 2.470052 187.9230 3.515847 0.4732819 
4.296782 
1 1 1 2   1   13 o 414.7000 6.302905  36240.58       1096.928 35662.73       
1525.474 36859.27       1578.465 411.2946 8.834315 418.1053 8.992290 -6.810669 
12.60581 
1 1 1 2   1   14 o 569.9606 8.408112  68739.94       2011.571 68327.38       
2813.263 69171.52       2877.403 568.2491 11.79214 571.6720 11.98878 -3.422913 
16.81622 
1 1 1 2   1   15 o 223.4870 3.450313  10487.76       323.2808 10281.42       
443.7958 10721.03       471.8710 221.1544 4.779788 225.8195 4.977174 -4.665176 
6.900626 
1 1 1 2   1   16 o 270.5396 3.155674  15444.14       339.0325 15569.19       
417.5028 15202.02       580.9430 272.2143 3.653167 268.8650 5.146600 3.349335 
6.311348 
1 1 1 2   1   17 o 370.6810 4.457889  29027.31       608.8839 28739.53       
1189.640 29129.46       708.7532 369.1517 7.675942 372.2104 4.535525 -3.058624 
8.915777 
1 1 1 2   1   18 o 145.6200 3.570600  4460.965       218.2136 4633.796       
311.1974 4293.785       306.0677 148.3978 4.994932 142.8422 5.103663 5.555634 
7.141199 
1 1 1 2   1   19 o 150.2181 2.365240  4617.967       134.7445 5034.571       
257.3310 4460.592       158.1601 154.7226 3.961497 145.7136 2.585342 9.009033 
4.730481 
1 1 1 2   1   20 o 178.7496 3.077122  6746.731       228.0923 6590.562       
348.9177 6863.272       301.4135 176.8958 4.698147 180.6034 3.975189 -3.707642 
6.154243 
1 1 1 2   1   21 o 80.08627 2.121116  1346.759       71.03131 1369.517       
105.6846 1328.009       95.92932 80.69688 3.119437 79.47566 2.875003 1.221214 
4.242231 
1 1 1 2   1   22 o 77.43068 2.078296  1244.303       66.97903 1388.945       
103.3388 1139.519       87.95521 81.25426 3.029274 73.60710 2.846184 7.647156 
4.156592 
1 1 1 2   1   23 o 91.35114 2.454966  1766.878       92.76733 1816.171       
122.1805 1699.781       142.5476 92.89129 3.132909 89.81099 3.780519 3.080299 
4.909933 
1 1 1 2   1   24 o 84.23296 3.664669  1494.803       129.5972 0.000000       
0.000000 1494.803       129.5972 ?        ?        84.23296 3.664669 ? ? 
1 1 1 2   1   25 o 42.72728 3.595397  379.0949       63.87604 336.2306       
83.60330 439.2086       99.00619 39.88303 4.992940 45.57154 5.174754 -5.688511 
7.190795 
1 1 1 2   1   26 o 172.5232 4.169168  6349.413       294.4302 6184.265       
468.4737 6457.235       378.5331 170.4307 6.547244 174.6156 5.163471 -4.184982 
8.338335 
1 1 1 2   1   27 o 59.11195 4.306662  686.6341       96.12569 883.5841       
190.7826 619.6241       111.2834 64.17774 7.080687 54.04616 4.904409 10.13158 
8.613324 
1 1 1 2   1   28 o 133.7545 3.476578  3744.299       185.7182 4005.397       
320.4427 3612.237       227.8962 136.9561 5.573013 130.5530 4.157874 6.403107 
6.953157 
1 1 1 2   1   29 o 72.95187 3.849450  1130.176       106.8138 1163.436       
199.7682 1116.860       126.3994 73.39163 6.483371 72.51212 4.151984 0.8795166 
7.698900 
1 1 1 2   1   30 o 68.07115 3.883270  977.4018       98.75759 1046.429       
191.7823 952.4925       115.2065 69.27973 6.593612 66.86256 4.104073 2.417168 
7.766539 
1 1 1 2   1   31 o 108.8563 3.544860  2450.440       142.1786 2792.386       
286.1297 2338.328       163.8368 113.0011 6.031166 104.7115 3.726817 8.289635 
7.089720 
1 1 1 2   1   32 o 51.82768 4.777877  667.5321       84.60276 476.3596       
156.6078 746.3156       100.5352 44.72701 8.648658 58.92834 4.063639 -14.20133 
9.555755 
1 1 1 2   1   33 o 69.05186 3.744690  1037.883       96.80646 1079.232       
185.4181 1022.389       113.5047 69.24966 6.377573 68.85406 3.926496 0.3955994 
7.489380 
1 1 1 2   1   34 o 66.32709 4.046848  1067.594       99.48195 780.5031       
172.7633 1210.008       121.6799 57.92612 7.103920 74.72804 3.878433 -16.80192 
8.093697 
1 1 1 2   1   35 o 68.68340 5.695581  1177.042       140.3613 1084.331       
270.6119 1211.164       164.1714 64.03407 10.06600 73.33273 5.332375 -9.298668 
11.39116 
1 1 1 2   1   36 o 37.64302 6.994223  431.2988       116.4895 303.1479       
192.7260 505.0675       146.2229 31.06611 11.34448 44.21992 8.184088 -13.15381 
13.98845 
1 1 1 2   1   37 f 20.73238 6.325309  82.62806       96.96372 82.66103       
167.0112 82.61130       119.0906 21.38622 9.452319 20.07854 8.407841 1.307684 
12.65062 
1 1 1 2   2   0  o 269.3744 3.166742  15229.46       352.4396 15349.85       
550.6663 15145.94       458.6938 270.2511 4.853356 268.4977 4.069146 1.753326 
6.333484 
1 1 1 2   2   1  o 301.2989 4.115798  19063.77       434.1682 19135.89       
917.7491 19042.98       492.8019 301.5225 7.249788 301.0752 3.898687 0.4472656 
8.231597 
1 1 1 2   2   2  f 23.36920 2.369474  115.9222       22.25428 148.0389       
32.74961 88.36918       30.33366 26.55022 2.938049 20.18818 3.718266 6.362036 
4.738949 
1 1 1 2   2   3  o 180.9608 3.372941  6746.063       225.6581 7169.479       
446.4021 6600.727       261.5342 184.6516 5.758298 177.2699 3.514104 7.381760 
6.745883 
1 1 1 2   2   4  o 160.3419 3.490702  5384.971       233.0697 5263.807       
308.8682 5545.200       355.1847 158.2657 4.648443 162.4181 5.208837 -4.152435 
6.981404 
1 1 1 2   2   5  o 524.6923 8.070995  57679.23       1481.792 59075.39       
3147.244 57281.60       1679.601 527.7890 14.20336 521.5955 7.669967 6.193542 
16.14199 
1 1 1 2   2   6  o 495.3017 6.610444  51567.24       1357.686 52731.21       
2101.202 50732.96       1778.910 499.9241 10.01117 490.6793 8.635296 9.244843 
13.22089 
1 1 1 2   2   7  o 172.3407 2.061962  6222.452       148.9464 6491.914       
218.4232 5988.237       203.6374 175.8187 2.959067 168.8627 2.872400 6.955963 
4.123925 
1 1 1 2   2   8  o 119.1908 2.019968  2984.093       100.9063 2971.832       
146.9230 2995.041       138.8270 118.9575 2.941841 119.4241 2.768873 
-0.4666138     4.039937 
1 1 1 2   2   9  o 108.6583 1.454022  2398.531       63.90280 2200.868       
78.96612 2773.595       108.7756 102.3847 1.837075 114.9319 2.254302 -12.54720 
2.908044 
1 1 1 2   2   10 o 153.1604 2.147343  4882.876       132.1183 5075.468       
223.8938 4779.986       163.6476 155.4469 3.430687 150.8739 2.583547 4.572937 
4.294686 
1 1 1 2   2   11 o 388.4370 4.128517  31795.05       637.4444 31935.12       
785.0311 31523.93       1092.152 389.8073 4.796870 387.0667 6.720761 2.740540 
8.257033 
1 1 1 2   2   12 o 315.1799 4.529772  20855.15       595.9075 21286.87       
896.3298 20513.17       797.7405 318.0636 6.712355 312.2962 6.084375 5.767395 
9.059544 
1 1 1 2   2   13 o 302.1779 4.255157  19127.98       532.3577 18752.40       
694.1323 19664.44       829.5804 298.6360 5.536318 305.7197 6.463328 -7.083618 
8.510313 
1 1 1 2   2   14 o 57.88464 2.029999  701.7878       49.20916 775.9408       
71.47352 634.9589       67.85213 60.78456 2.800741 54.98471 2.939291 5.799850 
4.059997 
1 1 1 2   2   15 o 171.5088 2.129279  6117.555       150.5602 6489.440       
239.5007 5874.561       193.5980 175.7686 3.245538 167.2491 2.757137 8.519501 
4.258558 
1 1 1 2   2   16 o 124.2922 1.997037  3235.574       104.0620 3034.492       
143.0211 3461.781       151.6931 120.1999 2.834112 128.3845 2.814326 -8.184563 
3.994074 
1 1 1 2   2   17 o 326.3681 5.090677  22616.47       614.9370 22811.03       
718.5379 22083.91       1188.792 329.3133 5.197104 323.4229 8.755002 5.890381 
10.18135 
1 1 1 2   2   18 o 120.2050 2.403315  3034.277       120.8626 3059.855       
178.8990 3012.800       163.9313 120.6658 3.531382 119.7442 3.260833 0.9215927 
4.806630 
1 1 1 2   2   19 o 200.2931 3.278643  8433.733       275.5780 8170.449       
382.9901 8716.391       396.8305 197.0553 4.629354 203.5309 4.644039 -6.475555 
6.557287 
1 1 1 2   2   20 o 190.1131 2.793358  7573.587       222.3008 7978.957       
330.0394 7236.958       300.7583 194.7422 4.036703 185.4839 3.862179 9.258270 
5.586716 
1 1 1 2   2   21 o 335.4027 3.609185  23703.29       504.9167 23896.22       
759.9526 23550.82       675.5894 336.5389 5.378639 334.2666 4.814053 2.272278 
7.218370 
1 1 1 2   2   22 o 109.8879 2.115746  2550.363       96.83375 2448.384       
144.7642 2632.939       130.2673 107.8763 3.196363 111.8994 2.772865 -4.023048 
4.231492 
1 1 1 2   2   23 o 116.2782 2.231614  2861.588       108.0024 2707.637       
161.1806 2987.038       145.4975 113.4011 3.385450 119.1553 2.908460 -5.754211 
4.463229 
1 1 1 2   2   24 o 62.49472 2.408204  822.9922       63.14312 799.2696       
90.02855 845.9601       88.58468 61.60335 3.480943 63.38609 3.328785 -1.782738 
4.816407 
1 1 1 2   2   25 o 109.6307 3.455153  2578.085       148.8399 2426.630       
257.1577 2654.380       182.5187 107.0411 5.722294 112.2204 3.873973 -5.179352 
6.910305 
1 1 1 2   2   26 o 121.9200 3.087843  3129.434       158.0553 3129.434       
158.0553 0.000000       0.000000 121.9200 3.087843 ?        ?        ? ? 
1 1 1 2   2   27 o 102.3539 2.622968  2179.310       109.6888 2079.815       
138.4982 2346.732       179.6595 99.32030 3.321445 105.3875 4.060524 -6.067238 
5.245937 
1 1 1 2   2   28 o 47.09747 3.683426  480.5644       71.15701 522.1122       
93.89965 424.5228       109.0548 49.61293 4.508065 44.58200 5.826479 5.030926 
7.366852 
1 1 1 2   2   29 o 54.29200 4.299863  571.4686       90.11198 798.4304       
173.7910 488.0127       105.3852 60.78459 6.810120 47.79942 5.251434 12.98517 
8.599727 
1 1 1 2   2   30 o 76.22614 3.470448  1156.379       97.83895 1432.688       
199.4277 1068.795       112.2797 81.50341 5.828151 70.94887 3.769441 10.55454 
6.940896 
1 1 1 2   2   31 o 36.34278 5.669286  319.1650       78.35490 254.5768       
147.8114 344.4083       92.40675 32.81157 9.904210 39.87400 5.519948 -7.062431 
11.33857 
1 1 1 2   2   32 o 44.69139 4.867597  388.8066       79.14642 570.0427       
169.8720 338.5555       89.44839 49.98093 8.095405 39.40186 5.407256 10.57907 
9.735193 
1 1 1 2   2   33 o 29.63600 6.355989  203.7690       80.88493 245.9942       
146.8332 185.3737       96.91508 31.41742 9.947822 27.85459 7.914243 3.562824 
12.71198 
1 1 1 2   2   34 o 56.79837 4.363817  726.3055       94.70966 734.0009       
173.5926 723.0441       113.0113 56.15871 7.362667 57.43803 4.686443 -1.279320 
8.727634 
1 1 1 2   2   35 o 45.14400 6.850034  571.6516       121.6256 416.8353       
211.4851 648.1609       148.6718 37.50072 11.94525 52.78729 6.708419 -15.28657 
13.70007 
1 1 1 2   2   36 f 55.36750 6.225946  816.4142       124.1555 704.8027       
222.5662 866.8359       149.5937 49.41553 11.01291 61.31948 5.810800 -11.90395 
12.45189 
1 1 1 2   2   37 o 34.96262 7.056766  362.2904       114.5005 537.3331       
173.8648 228.2332       152.1546 42.65788 9.892093 27.26737 10.06669 15.39051 
14.11353 
1 1 1 2   3   0  o 275.7788 2.360597  15977.37       272.6318 16020.69       
372.8911 15927.62       399.6138 276.1861 3.215891 275.3715 3.456548 0.8146362 
4.721195 
1 1 1 2   3   1  o 54.22697 1.838520  617.1802       41.83320 646.9344       
59.83453 588.7289       58.50985 55.50508 2.567676 52.94886 2.632046 2.556221 
3.677040 
1 1 1 2   3   2  f 497.6435 6.723794  52105.52       1404.791 0.000000       
0.000000 52105.52       1404.791 ?        ?        497.6435 6.723794 ? ? 
1 1 1 2   3   3  o 592.5128 4.791972  73782.22       1192.040 0.000000       
0.000000 73782.22       1192.040 ?        ?        592.5128 4.791972 ? ? 
1 1 1 2   3   4  o 227.2371 2.016040  10845.43       191.9688 10868.48       
263.6291 10819.42       280.0874 227.4971 2.760188 226.9771 2.939224 0.5199890 
4.032081 
1 1 1 2   3   5  o 385.5493 4.799535  31277.08       776.8738 31033.47       
1097.610 31521.63       1099.724 384.0423 6.807539 387.0564 6.767536 -3.014099 
9.599070 
1 1 1 2   3   6  o 361.9894 4.764639  27541.38       722.7914 27112.84       
989.3669 28031.90       1058.494 358.9940 6.564344 364.9849 6.907716 -5.990906 
9.529279 
1 1 1 2   3   7  o 73.37299 1.451363  1128.720       44.67615 1079.384       
61.86280 1182.500       64.58854 71.69962 2.055104 75.04634 2.049968 -3.346718 
2.902726 
1 1 1 2   3   8  o 178.8304 2.526497  6703.353       188.0063 6822.758       
286.7100 6613.280       249.0184 180.2173 3.789374 177.4435 3.342661 2.773758 
5.052993 
1 1 1 2   3   9  f 89.66777 1.683920  1657.949       62.63547 1884.204       
98.26939 1503.137       81.28722 94.72653 2.470971 84.60902 2.288372 10.11752 
3.367840 
1 1 1 2   3   10 o 30.71780 2.294890  198.7175       29.44016 192.4802       
43.54928 203.9669       39.95225 30.27175 3.426609 31.16386 3.053592 
-0.8921165     4.589779 
1 1 1 2   3   11 o 187.7096 1.867795  7386.808       146.5519 7272.623       
197.5096 7526.684       218.6033 186.1012 2.527901 189.3181 2.750335 -3.216934 
3.735589 
1 1 1 2   3   12 o 139.4592 2.083752  4086.794       121.7530 4047.795       
177.5222 4121.431       167.3015 138.8285 3.045755 140.0900 2.844551 -1.261444 
4.167505 
1 1 1 2   3   13 o 518.3026 3.879963  56311.20       761.4467 56086.02       
899.0779 56882.44       1432.042 516.6561 4.144927 519.9490 6.560185 -3.292969 
7.759926 
1 1 1 2   3   14 o 166.4765 2.740946  5821.287       191.4376 5787.708       
265.4485 5857.682       276.3476 165.9787 3.809332 166.9743 3.942096 
-0.9955292     5.481892 
1 1 1 2   3   15 o 324.1837 3.112867  22119.40       422.1468 21673.56       
620.5230 22503.52       575.9744 321.1208 4.602677 327.2465 4.192270 -6.125610 
6.225734 
1 1 1 2   3   16 o 354.5527 5.172009  26418.23       768.7559 25407.28       
1053.074 27571.66       1124.841 347.3224 7.221828 361.7830 7.405665 -14.46051 
10.34402 
1 1 1 2   3   17 o 280.0889 11.14450  16614.69       1310.495 16614.69       
1310.495 0.000000       0.000000 280.0889 11.14450 ?        ?        ? ? 
1 1 1 2   3   18 o 289.9620 3.852414  17693.80       468.9714 17687.41       
664.9912 17700.12       661.4744 289.9079 5.463575 290.0161 5.432652 
-0.1081848     7.704827 
1 1 1 2   3   19 o 38.09400 3.293647  299.5907       52.14590 348.3618       
81.01322 265.0902       68.13768 40.68996 4.742307 35.49804 4.571977 5.191921 
6.587295 
1 1 1 2   3   20 o 84.81062 2.089098  1498.619       74.03680 1651.378       
111.4647 1378.015       99.04068 88.64364 2.995097 80.97760 2.913197 7.666039 
4.178195 
1 1 1 2   3   21 o 225.8737 2.708273  10710.30       242.3787 10811.71       
419.8440 10659.60       296.8408 226.5851 4.413445 225.1623 3.140140 1.422791 
5.416546 
1 1 1 2   3   22 o 176.1530 2.146930  6517.211       158.6145 6339.814       
218.4191 6715.145       230.7152 173.6246 2.996405 178.6813 3.075516 -5.056717 
4.293861 
1 1 1 2   3   23 o 55.40423 2.609702  666.4020       58.84325 531.4471       
88.61382 772.8478       78.69944 50.20452 4.204165 60.60394 3.093085 -10.39942 
5.219404 
1 1 1 2   3   24 o 100.2788 2.028160  2098.029       84.99336 1933.508       
113.7397 2306.063       127.9001 95.86755 2.825930 104.6901 2.909956 -8.822517 
4.056319 
1 1 1 2   3   25 o 183.4024 2.900553  7089.305       222.6055 7049.007       
302.3982 7136.972       328.8912 182.8661 3.938829 183.9388 4.258925 -1.072678 
5.801105 
1 1 1 2   3   26 o 152.3195 3.319291  4840.532       204.1261 4686.793       
253.9272 5121.348       343.1867 149.0659 4.057439 155.5731 5.254327 -6.507187 
6.638581 
1 1 1 2   3   27 o 74.13367 4.777925  1163.273       148.7078 1163.273       
148.7078 0.000000       0.000000 74.13367 4.777925 ?        ?        ? ? 
1 1 1 2   3   28 o 44.96846 3.702261  422.2101       69.19588 353.6665       
91.48789 513.8336       105.7751 40.76904 5.345080 49.16787 5.124164 -8.398834 
7.404521 
1 1 1 2   3   29 o 99.52182 2.683039  2104.402       110.8907 2151.612       
147.3857 2042.814       168.3414 100.8797 3.479949 98.16397 4.084697 2.715706 
5.366078 
1 1 1 2   3   30 o 161.4565 3.063876  5549.179       206.6966 5556.275       
279.2099 5540.576       307.4532 161.6803 4.113340 161.2326 4.542001 0.4477081 
6.127752 
1 1 1 2   3   31 o 32.78089 4.686791  240.0052       63.30230 182.8392       
87.90960 301.5692       91.22855 28.26327 7.343252 37.29850 5.825865 -9.035231 
9.373582 
1 1 1 2   3   32 o 20.00265 5.905556  32.64628       73.46714 62.40147       
145.4256 22.45014       85.12897 22.85748 9.408751 17.14782 7.139874 5.709660 
11.81111 
1 1 1 2   3   33 o 19.45692 5.806784  28.77184       72.39867 55.95634       
142.6790 19.34527       84.01874 22.15000 9.234336 16.76385 7.042869 5.386154 
11.61357 
1 1 1 2   3   34 o 24.34216 6.979746  89.20607       110.9625 172.5326       
174.7227 32.88155       143.6503 27.66750 10.64346 21.01682 9.032402 6.650677 
13.95949 
1 1 1 2   3   35 o 27.82728 7.481706  165.5166       111.4596 284.1099       
208.4419 118.0284       131.9010 31.96838 11.78584 23.68618 9.219423 8.282198 
14.96341 
1 1 1 2   3   36 o 47.87282 5.757549  558.6852       112.2267 669.7131       
174.8980 480.9738       146.3226 52.16339 7.986197 43.58225 8.295671 8.581146 
11.51510 
1 1 1 2   3   37 o 42.05869 7.055184  515.7972       118.9520 504.9058       
202.9023 521.5007       146.8311 39.48679 11.52730 44.63058 8.137807 -5.143791 
14.11037 
1 1 1 2   3   38 o 46.81628 6.223543  613.3355       117.3177 622.4059       
183.7123 607.0894       152.4511 45.40157 9.911972 48.23099 7.528796 -2.829426 
12.44709 
1 1 1 2   4   0  o 192.3798 1.232977  7741.139       98.01216 7931.707       
153.6727 7610.459       127.2549 194.3657 1.883208 190.3939 1.591998 3.971848 
2.465954 
1 1 1 2   4   1  o 107.4563 1.877862  2372.438       80.42702 2588.846       
140.0994 2266.062       98.22484 111.0271 3.005581 103.8856 2.252096 7.141449 
3.755723 
1 1 1 2   4   2  o 112.6137 1.637064  2710.491       71.09402 2540.914       
127.1234 2787.666       85.75903 109.9985 2.752705 115.2288 1.772719 -5.230324 
3.274128 
1 1 1 2   4   3  o 195.5091 2.243720  7998.513       176.5141 7925.929       
219.7047 8130.666       296.4536 194.2766 2.693643 196.7416 3.589067 -2.465042 
4.487439 
1 1 1 2   4   4  o 335.5562 4.113575  23683.53       578.5154 23790.89       
796.1104 23563.40       842.1152 336.3798 5.637213 334.7326 5.992313 1.647186 
8.227149 
1 1 1 2   4   5  o 44.54874 1.477605  416.8390       27.60294 391.1926       
38.84454 442.9985       39.23123 43.16384 2.143537 45.93365 2.034333 -2.769806 
2.955209 
1 1 1 2   4   6  o 214.4299 2.878654  9598.297       255.6171 10025.07       
399.3657 9302.126       332.6931 218.4286 4.354940 210.4311 3.765781 7.997574 
5.757309 
1 1 1 2   4   7  o 126.2105 1.485097  3337.995       78.57809 3229.424       
107.6751 3461.692       114.9319 124.0197 2.067976 128.4013 2.132025 -4.381577 
2.970194 
1 1 1 2   4   8  o 177.6204 2.405833  6616.438       178.6764 6735.962       
265.9837 6518.148       241.2030 179.0757 3.537850 176.1651 3.261250 2.910645 
4.811667 
1 1 1 2   4   9  o 121.7449 1.713111  3112.235       87.45643 3113.496       
126.8445 3111.092       120.7449 121.7675 2.481198 121.7222 2.362763 
0.4523468E-01  3.426221 
1 1 1 2   4   10 o 166.0949 2.299472  5685.518       155.0120 6209.659       
259.0847 5393.276       193.4585 171.9355 3.589196 160.2543 2.875407 11.68127 
4.598945 
1 1 1 2   4   11 f 95.99815 1.495602  1880.291       58.41253 2151.794       
97.78893 1729.676       72.83417 101.2317 2.300883 90.76466 1.911346 10.46699 
2.991205 
1 1 1 2   4   12 o 265.0605 2.554359  14552.51       256.1270 15232.10       
486.6567 14292.16       301.2198 269.2426 4.305266 260.8784 2.750215 8.364258 
5.108717 
1 1 1 2   4   13 o 444.2056 3.594069  41411.18       634.4492 41685.75       
1091.736 41271.15       779.6083 445.2170 5.840725 443.1943 4.189898 2.022705 
7.188137 
1 1 1 2   4   14 o 311.2894 3.609144  20371.74       463.1525 20365.17       
727.3383 20376.23       600.6793 311.2046 5.566876 311.3743 4.594951 
-0.1697693     7.218288 
1 1 1 2   4   15 o 681.1124 8.849368  98170.69       2522.878 99591.77       
3726.793 96968.54       3427.718 685.4388 12.95054 676.7861 12.06354 8.652649 
17.69874 
1 1 1 2   4   16 o 424.6381 4.822711  37994.77       852.4487 38215.74       
1135.700 37709.63       1290.094 426.1360 6.347996 423.1401 7.262030 2.995850 
9.645421 
1 1 1 2   4   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   4   18 o 219.0761 2.146754  9910.840       187.2775 9561.557       
228.9431 10617.23       325.5836 213.3655 2.555786 224.7867 3.449952 -11.42117 
4.293509 
1 1 1 2   4   19 o 26.68785 4.336357  158.2241       49.34127 100.8645       
73.14153 206.1279       66.84145 22.07939 7.024027 31.29630 5.087143 -9.216909 
8.672714 
1 1 1 2   4   20 o 350.0877 3.287693  25572.53       454.3142 25152.09       
552.7679 26447.75       797.5365 345.8433 3.807014 354.3321 5.361189 -8.488831 
6.575387 
1 1 1 2   4   21 o 188.0999 2.650434  7442.256       209.2782 7619.930       
297.7391 7268.755       294.2203 190.3210 3.726235 185.8789 3.770194 4.442047 
5.300867 
1 1 1 2   4   22 o 148.5864 2.097461  4636.403       128.5864 4675.309       
201.8217 4609.818       166.8312 149.0873 3.224396 148.0855 2.683402 1.001785 
4.194922 
1 1 1 2   4   23 o 28.16252 4.122340  171.6705       48.08672 228.1476       
69.62574 120.1625       66.49221 32.86663 5.045865 23.45841 6.520277 9.408226 
8.244680 
1 1 1 2   4   24 o 89.33355 2.152006  1679.490       80.70905 1661.428       
114.0094 1697.634       114.2707 88.85114 3.056320 89.81596 3.030417 
-0.9648285     4.304012 
1 1 1 2   4   25 o 52.05791 2.689242  568.2004       58.56194 505.1628       
79.97719 641.0682       85.98720 48.95610 3.891172 55.15974 3.713066 -6.203640 
5.378483 
1 1 1 2   4   26 o 87.16072 2.164610  1594.412       79.09770 1501.002       
108.5964 1699.964       115.4390 84.44915 3.062959 89.87230 3.059482 -5.423149 
4.329220 
1 1 1 2   4   27 o 124.2762 2.435914  3243.016       125.0941 3322.183       
196.0606 3188.660       162.4589 125.5094 3.720788 123.0430 3.144906 2.466431 
4.871828 
1 1 1 2   4   28 o 101.3944 3.732668  2171.440       158.8958 0.000000       
0.000000 2171.440       158.8958 ?        ?        101.3944 3.732668 ? ? 
1 1 1 2   4   29 o 23.90024 5.419011  120.4884       63.08490 154.5257       
87.10310 82.93655       91.48948 26.36498 7.506738 21.43549 7.817392 4.929487 
10.83802 
1 1 1 2   4   30 o 32.60972 4.569638  233.2497       61.18114 304.3000       
89.62331 171.2452       83.72401 37.65649 5.668944 27.56295 7.168642 10.09355 
9.139276 
1 1 1 2   4   31 o 80.98573 2.531000  1392.720       86.04341 1408.658       
121.1514 1376.498       122.2232 81.46274 3.542341 80.50873 3.616029 0.9540100 
5.062000 
1 1 1 2   4   32 o 72.16489 2.623483  1110.894       79.45566 1128.957       
111.4980 1092.257       113.2572 72.77950 3.649045 71.55029 3.770295 1.229218 
5.246966 
1 1 1 2   4   33 o 65.98373 2.764049  937.0850       76.23404 1030.617       
107.4180 842.1713       108.2088 69.39029 3.687223 62.57719 4.118770 6.813103 
5.528099 
1 1 1 2   4   34 o 19.62112 6.085727  3.317460       96.03613 -33.64971      
150.2572 28.84826       124.8704 19.35367 8.731164 19.88857 8.480041 
-0.5349083     12.17145 
1 1 1 2   4   35 o 51.98526 6.059051  694.0914       120.3860 521.9574       
190.6988 808.1442       155.2271 44.32913 10.41237 59.64139 6.199275 -15.31226 
12.11810 
1 1 1 2   4   36 o 34.84803 6.629403  298.1551       104.8712 510.7850       
166.8566 159.3155       134.8304 44.20017 9.286421 25.49589 9.463526 18.70428 
13.25881 
1 1 1 2   4   37 o 52.29578 5.328042  678.0356       115.3591 673.0724       
176.7052 681.7220       152.2890 51.40536 8.187699 53.18620 6.820096 -1.780838 
10.65608 
1 1 1 2   4   38 o 17.61930 5.803655  -57.31820      111.8474 -272.1156      
192.9228 51.42939       137.2710 15.71459 7.787700 19.52402 8.607055 -3.809433 
11.60731 
1 1 1 2   5   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   5   1  o 218.1222 1.869801  9990.964       171.2257 10041.66       
242.0697 9940.203       242.2298 218.6761 2.636697 217.5682 2.651876 1.107925 
3.739601 
1 1 1 2   5   2  f 168.8107 2.071116  6113.617       137.2516 5611.059       
236.0803 6370.210       168.6896 163.4433 3.440438 174.1781 2.306831 -10.73480 
4.142231 
1 1 1 2   5   3  o 180.7322 2.073479  6849.601       155.6401 6928.565       
238.8692 6791.343       205.1707 181.6305 3.132510 179.8340 2.717470 1.796524 
4.146958 
1 1 1 2   5   4  o 87.81497 1.385013  1613.799       50.97507 1714.973       
74.77663 1525.965       69.67293 90.37769 1.970724 85.25226 1.946611 5.125435 
2.770026 
1 1 1 2   5   5  o 302.7703 2.533412  19118.74       307.4729 19712.65       
522.5334 18804.19       380.2768 306.3131 4.063212 299.2275 3.027048 7.085632 
5.066825 
1 1 1 2   5   6  f 456.9774 3.592938  43572.71       637.5713 44738.77       
1152.501 43058.48       765.3512 461.2391 5.951637 452.7157 4.026765 8.523346 
7.185876 
1 1 1 2   5   7  o 322.9945 2.821424  21719.33       371.3932 21121.97       
468.6414 22727.94       608.9552 317.1068 3.520109 328.8822 4.410278 -11.77539 
5.642847 
1 1 1 2   5   8  o 159.5124 2.355602  5299.176       155.4326 5599.245       
244.3154 5095.142       201.4609 163.2674 3.564285 155.7573 3.080799 7.510071 
4.711205 
1 1 1 2   5   9  o 105.5481 1.808402  2311.476       79.58061 2109.646       
105.2462 2580.928       121.6061 100.2330 2.501018 110.8633 2.612696 -10.63025 
3.616804 
1 1 1 2   5   10 o 184.2116 1.783167  7118.357       137.7627 7276.744       
200.2920 6976.154       189.7842 186.1533 2.562795 182.2699 2.480083 3.883423 
3.566333 
1 1 1 2   5   11 o 178.8501 2.602163  6695.490       195.0120 6333.279       
265.9115 7117.003       286.8550 173.6361 3.647692 184.0641 3.712056 -10.42795 
5.204327 
1 1 1 2   5   12 o 97.83664 1.885731  2009.357       77.38488 1993.854       
106.9663 2026.381       112.0910 97.44154 2.614711 98.23173 2.717941 
-0.7901840     3.771461 
1 1 1 2   5   13 o 203.3401 1.973512  8683.107       168.2403 8683.673       
244.5023 8682.598       231.8565 203.3442 2.863995 203.3361 2.715976 
0.8071899E-02  3.947023 
1 1 1 2   5   14 o 422.8971 3.815173  37436.53       650.8142 38198.09       
1087.828 37011.99       812.2029 426.1400 6.080356 419.6541 4.609928 6.485962 
7.630345 
1 1 1 2   5   15 o 543.8835 3.623371  62029.20       808.4313 61443.19       
1035.872 62942.24       1293.001 540.6918 4.563283 547.0753 5.629539 -6.383423 
7.246742 
1 1 1 2   5   16 o 176.4840 2.190755  6547.008       162.1992 6356.092       
231.5848 6730.837       227.2455 173.9542 3.171000 179.0139 3.023637 -5.059677 
4.381509 
1 1 1 2   5   17 o 356.8248 3.555675  26780.53       532.1727 26612.13       
768.0475 26936.03       738.0595 355.7314 5.142649 357.9181 4.911665 -2.186646 
7.111350 
1 1 1 2   5   18 o 61.11220 2.256496  782.6522       57.51509 665.2578       
79.17801 913.7961       83.68636 56.27008 3.351569 65.95432 3.022265 -9.684238 
4.512992 
1 1 1 2   5   19 o 56.05081 2.500277  662.0341       58.63700 634.6133       
85.43726 686.4514       80.62251 54.94746 3.703572 57.15416 3.359924 -2.206707 
5.000554 
1 1 1 2   5   20 o 173.6325 2.867470  6350.177       208.6798 6131.177       
300.5985 6553.902       289.9264 170.7270 4.193779 176.5380 3.911746 -5.810944 
5.734941 
1 1 1 2   5   21 o 53.49416 2.573604  603.4123       57.62219 552.6975       
81.89150 653.1447       81.09452 51.25739 3.805427 55.73092 3.465902 -4.473534 
5.147209 
1 1 1 2   5   22 o 187.2096 2.722544  7377.733       209.9090 7375.438       
330.6273 7379.283       271.6881 187.1351 4.208279 187.2841 3.455341 
-0.1489868     5.445089 
1 1 1 2   5   23 o 130.8841 1.922091  3579.646       105.2367 3870.344       
157.2143 3343.647       141.6534 135.6650 2.760231 126.1032 2.675604 9.561745 
3.844182 
1 1 1 2   5   24 o 134.4400 2.199226  3773.101       123.5016 3510.815       
164.8266 4108.855       186.4876 129.1639 3.039536 139.7162 3.179246 -10.55237 
4.398453 
1 1 1 2   5   25 o 81.89442 2.246837  1410.682       77.22312 1456.327       
110.9397 1367.778       107.5587 83.17866 3.176846 80.61018 3.178168 2.568481 
4.493674 
1 1 1 2   5   26 o 220.8611 2.653358  10348.85       234.6382 10044.52       
393.6296 10516.58       292.2316 218.1928 4.297031 223.5294 3.113964 -5.336609 
5.306717 
1 1 1 2   5   27 o 108.9388 2.312227  2501.311       105.6794 2587.922       
148.6981 2412.917       150.2201 110.8539 3.195035 107.0238 3.343251 3.830132 
4.624454 
1 1 1 2   5   28 o 109.2417 2.156829  2495.456       98.29725 2681.202       
149.4114 2353.707       130.5221 112.7836 3.155431 105.6999 2.941241 7.083740 
4.313658 
1 1 1 2   5   29 f 35.54848 5.587562  225.9203       75.38586 455.7888       
150.4274 148.8284       87.11467 45.14334 8.242962 25.95361 7.545660 19.18974 
11.17512 
1 1 1 2   5   30 o 73.67047 3.800448  1168.345       99.14610 1175.144       
113.3944 1146.277       204.2981 74.50093 3.625360 72.84002 6.680598 1.660912 
7.600896 
1 1 1 2   5   31 o 42.61428 3.858477  404.9148       63.33346 253.3051       
88.13158 566.8204       91.07500 33.64307 6.470485 51.58548 4.205259 -17.94241 
7.716954 
1 1 1 2   5   32 o 52.19389 3.063932  583.2203       67.11258 606.7479       
95.82737 560.5713       94.02143 53.23749 4.287391 51.15030 4.378242 2.087193 
6.127864 
1 1 1 2   5   33 f 14.33419 4.530763  -34.20176      57.39141 -75.99557      
82.06309 5.808803       80.29327 12.81838 6.011521 15.84999 6.780328 -3.031611 
9.061525 
1 1 1 2   5   34 o 46.81556 5.090560  507.3929       95.90431 617.3408       
137.2799 402.5786       134.0367 52.54646 6.222780 41.08466 8.058053 11.46180 
10.18112 
1 1 1 2   5   35 o 32.91541 6.343793  274.7983       90.20430 290.1568       
124.0886 257.5876       131.3579 34.04691 8.658620 31.78390 9.273788 2.263010 
12.68759 
1 1 1 2   5   36 o 25.69299 6.764753  158.6279       101.6209 82.30075       
160.7070 209.4808       131.1757 23.01094 9.707335 28.37503 9.424179 -5.364092 
13.52951 
1 1 1 2   5   37 o 44.24819 6.467152  521.3188       114.9850 522.3260       
176.6827 520.5786       151.4457 43.45088 9.902475 45.04549 8.320890 -1.594612 
12.93430 
1 1 1 2   5   38 o 22.60671 6.515254  114.9881       100.8906 198.9635       
146.5798 39.38913       139.0773 25.85171 9.804533 19.36172 8.582849 6.489992 
13.03051 
1 1 1 2   6   0  o 330.5090 1.299922  22929.94       180.3136 22768.15       
251.3234 23101.55       258.8467 329.3085 1.817821 331.7095 1.858685 -2.401001 
2.599843 
1 1 1 2   6   1  o 220.9172 1.498387  10276.35       127.8345 10321.82       
153.3879 10172.95       231.3077 221.7296 1.647739 220.1049 2.503119 1.624725 
2.996773 
1 1 1 2   6   2  f 206.0239 1.601717  8910.948       138.0573 8894.494       
187.4754 8930.443       204.0625 205.8184 2.169608 206.2294 2.356859 
-0.4110565     3.203433 
1 1 1 2   6   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   6   4  o 413.5208 5.077346  35980.13       881.3571 35242.27       
1235.120 36745.65       1258.051 409.2010 7.189412 417.8405 7.171480 -8.639557 
10.15469 
1 1 1 2   6   5  o 335.9492 4.446745  23737.93       627.0010 23678.83       
875.6926 23800.09       898.1606 335.5279 6.216475 336.3705 6.360001 
-0.8426514     8.893490 
1 1 1 2   6   6  o 190.4478 1.767651  7624.100       137.9547 7579.778       
220.2102 7652.732       176.9904 189.9850 2.760826 190.9105 2.208213 
-0.9254761     3.535302 
1 1 1 2   6   7  o 175.0059 2.375465  6279.410       167.3264 6962.164       
286.1263 5924.559       206.2758 182.0508 3.743574 167.9611 2.925233 14.08963 
4.750930 
1 1 1 2   6   8  o 77.72375 1.630550  1263.812       53.09688 1197.225       
72.30670 1341.740       78.22236 75.51022 2.280835 79.93730 2.330786 -4.427086 
3.261100 
1 1 1 2   6   9  o 216.0296 2.973548  9797.785       269.3696 9656.397       
370.8431 9955.704       391.9227 214.3849 4.120188 217.6742 4.288590 -3.289246 
5.947096 
1 1 1 2   6   10 o 318.7731 2.903514  21287.50       384.6058 21774.88       
590.5486 20928.51       506.8290 321.9141 4.369550 315.6320 3.824736 6.282013 
5.807028 
1 1 1 2   6   11 o 288.5621 3.526141  17506.17       425.7098 17451.49       
628.2112 17552.61       578.8970 288.1296 5.193246 288.9946 4.771255 
-0.8650208     7.052282 
1 1 1 2   6   12 o 55.11989 1.963027  630.5323       45.14643 732.0316       
67.99025 550.4866       60.37872 59.04111 2.742920 51.19868 2.808964 7.842430 
3.926053 
1 1 1 2   6   13 o 183.8784 2.053238  7080.913       158.0642 6851.826       
214.3051 7354.213       234.0737 180.6282 2.825973 187.1286 2.979432 -6.500381 
4.106475 
1 1 1 2   6   14 o 95.45547 1.784484  1899.336       71.24306 1745.660       
95.87515 2088.816       106.4599 91.17589 2.504651 99.73507 2.542490 -8.559181 
3.568968 
1 1 1 2   6   15 o 224.2168 2.720700  10524.27       255.3342 10104.93       
345.3662 11029.78       379.1940 219.3133 3.750903 229.1202 3.942023 -9.806885 
5.441399 
1 1 1 2   6   16 o 128.6107 3.535390  3460.748       184.3171 3541.673       
304.7316 3414.063       231.4555 129.7655 5.593445 127.4558 4.325426 2.309654 
7.070781 
1 1 1 2   6   17 o 297.3030 3.145709  18554.22       359.3420 18641.77       
658.3726 18517.08       428.8535 297.7216 5.267232 296.8843 3.440668 0.8372803 
6.291417 
1 1 1 2   6   18 o 266.5135 4.130827  14955.49       460.8484 14878.44       
677.2809 15021.92       628.8829 265.8460 6.068198 267.1809 5.606418 -1.334900 
8.261655 
1 1 1 2   6   19 o 257.1522 4.180475  13876.02       437.5708 14130.67       
715.1976 13723.67       553.1878 258.9319 6.579026 255.3726 5.159640 3.559326 
8.360950 
1 1 1 2   6   20 o 38.21410 3.138907  313.0908       48.98040 278.7279       
76.36515 337.1076       63.84232 36.38729 4.998808 40.04092 3.797744 -3.653622 
6.277814 
1 1 1 2   6   21 o 284.5955 3.721654  17037.99       440.3045 16849.72       
581.7546 17290.46       673.6796 282.8332 4.899261 286.3579 5.603577 -3.524719 
7.443307 
1 1 1 2   6   22 o 182.1322 2.899815  6973.544       221.4200 6791.927       
303.6509 7179.767       323.5674 179.6136 4.026766 184.6507 4.173831 -5.037079 
5.799631 
1 1 1 2   6   23 f 53.25897 2.440468  598.2205       54.38242 540.1118       
76.76377 656.7691       77.05376 50.65062 3.609879 55.86732 3.285164 -5.216705 
4.880936 
1 1 1 2   6   24 o 112.6315 2.127939  2669.362       100.6226 2679.520       
142.2934 2659.201       142.3101 112.8463 3.003437 112.4166 3.015271 0.4297180 
4.255877 
1 1 1 2   6   25 o 238.6430 3.194368  11998.38       313.4865 12136.25       
497.3405 11907.49       403.8053 239.6479 4.943122 237.6382 4.047406 2.009674 
6.388736 
1 1 1 2   6   26 o 89.65231 2.157666  1674.446       80.79846 1489.846       
108.3258 1905.932       121.3051 84.13785 3.066632 95.16677 3.036092 -11.02892 
4.315331 
1 1 1 2   6   27 o 62.13217 2.563458  813.5754       66.86124 811.5674       
93.81383 815.6483       95.31622 62.05592 3.600847 62.20842 3.649544 
-0.1525002     5.126916 
1 1 1 2   6   28 o 92.39359 2.187549  1797.787       84.82958 1739.155       
118.5832 1859.237       121.4007 90.84982 3.108996 93.93737 3.078249 -3.087555 
4.375097 
1 1 1 2   6   29 o 38.44711 3.766338  317.3529       60.24340 356.2597       
83.80137 275.7417       86.66485 40.95038 4.874322 35.94383 5.743012 5.006550 
7.532676 
1 1 1 2   6   30 o 91.72201 2.314968  1776.711       89.03903 1659.333       
124.3073 1900.385       127.5976 88.60013 3.341823 94.84389 3.204454 -6.243759 
4.629936 
1 1 1 2   6   31 o 114.6804 4.704650  2808.722       226.5143 2808.722       
226.5143 0.000000       0.000000 114.6804 4.704650 ?        ?        ? ? 
1 1 1 2   6   32 o 58.69201 2.791474  733.9889       67.92871 895.7798       
98.80729 588.9868       93.54035 64.89240 3.626738 52.49162 4.244534 12.40078 
5.582947 
1 1 1 2   6   33 o 111.2079 2.661563  2639.449       124.0785 2573.354       
170.0607 2714.685       181.4384 109.7601 3.690461 112.6556 3.836166 -2.895515 
5.323127 
1 1 1 2   6   34 o 49.81654 4.711146  557.7613       98.38070 562.5168       
143.3229 553.5240       135.2873 49.92938 6.837233 49.70370 6.483197 0.2256737 
9.422293 
1 1 1 2   6   35 o 19.48898 5.801487  31.28145       83.32587 79.48433       
109.3938 -35.33786      128.6045 21.19728 8.359567 17.78068 8.046532 3.416601 
11.60297 
1 1 1 2   6   36 o 32.02686 6.459620  266.0041       91.01807 255.2477       
125.0302 278.1306       132.7548 31.41617 9.009485 32.63755 9.259372 -1.221384 
12.91924 
1 1 1 2   6   37 o 43.56946 5.316242  438.0634       95.67939 129.0271       
122.1009 929.7302       154.0102 23.47855 8.935591 63.66036 5.762374 -40.18181 
10.63248 
1 1 1 2   6   38 f 38.33478 5.698376  402.7115       109.0794 74.29864       
151.6319 754.9368       157.0329 21.16740 9.190782 55.50216 6.739100 -34.33475 
11.39675 
1 1 1 2   7   0  o 221.2200 1.016747  10327.96       93.37426 9886.489       
141.4228 10669.14       124.3255 217.0051 1.552282 225.4348 1.313591 -8.429764 
2.033494 
1 1 1 2   7   1  f 145.4149 1.326465  4395.683       79.76148 4200.828       
103.1830 4684.993       125.7286 141.4521 1.737480 149.3776 2.004793 -7.925461 
2.652929 
1 1 1 2   7   2  o 182.3863 2.672177  7005.144       163.0498 6959.453       
365.8354 7016.471       182.1406 181.9741 4.788476 182.7985 2.373315 
-0.8244171     5.344354 
1 1 1 2   7   3  o 255.2982 2.216703  13693.79       236.7534 13750.38       
321.9290 13627.14       349.3948 255.8784 2.996730 254.7181 3.267215 1.160324 
4.433405 
1 1 1 2   7   4  o 525.8798 5.705582  58190.58       1215.615 58453.99       
2003.175 58037.03       1529.420 526.5941 9.060749 525.1656 6.936677 1.428467 
11.41116 
1 1 1 2   7   5  o 197.0235 2.581605  8149.828       213.2306 8231.886       
310.7706 8076.832       293.1109 197.9568 3.739301 196.0901 3.560388 1.866684 
5.163209 
1 1 1 2   7   6  o 52.38436 1.502340  575.8239       33.03046 561.2915       
46.03267 591.2472       47.42258 51.70350 2.120641 53.06521 2.128611 -1.361710 
3.004680 
1 1 1 2   7   7  o 138.6328 2.087191  4037.740       121.4169 3980.755       
173.8064 4092.055       169.6866 137.6759 3.006968 139.5897 2.895446 -1.913757 
4.174382 
1 1 1 2   7   8  o 316.3323 3.772077  21038.51       500.4896 20982.89       
723.1436 21089.64       693.3918 315.9207 5.452146 316.7438 5.214247 
-0.8230896     7.544154 
1 1 1 2   7   9  o 137.1172 2.117921  3877.877       119.7525 3599.705       
153.2935 4313.460       191.8239 130.9249 2.788833 143.3095 3.188224 -12.38463 
4.235842 
1 1 1 2   7   10 o 298.8024 2.974681  18760.88       372.9911 18702.74       
535.3427 18815.72       519.9712 298.3481 4.273952 299.2568 4.138628 
-0.9086609     5.949362 
1 1 1 2   7   11 o 33.93456 2.430831  241.8395       34.62887 238.5575       
48.59245 245.2262       49.36187 33.70068 3.434402 34.16843 3.441023 
-0.4677467     4.861662 
1 1 1 2   7   12 o 110.8541 1.848065  2568.480       85.77621 2421.055       
116.1851 2745.098       127.1695 107.3746 2.577329 114.3336 2.649293 -6.958984 
3.696130 
1 1 1 2   7   13 o 304.4318 2.718307  19451.58       343.7105 19598.33       
526.9247 19342.89       453.4650 305.4130 4.109435 303.4506 3.559401 1.962402 
5.436615 
1 1 1 2   7   14 o 30.76582 3.097240  199.0186       39.96058 210.5541       
56.64408 187.5895       56.38239 31.65470 4.262236 29.87693 4.494988 1.777769 
6.194479 
1 1 1 2   7   15 o 393.0380 4.404094  32501.25       726.7076 32212.41       
1026.863 32791.06       1028.578 391.2854 6.250864 394.7906 6.205712 -3.505249 
8.808187 
1 1 1 2   7   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   7   17 o 349.0765 4.634489  25790.24       654.8466 25132.11       
1073.034 26180.82       826.6292 345.3695 7.400321 352.7835 5.581148 -7.414032 
9.268978 
1 1 1 2   7   18 o 288.1070 2.326400  17448.74       276.2619 17387.79       
433.7381 17490.35       358.3538 287.6601 3.591442 288.5539 2.958054 
-0.8937683     4.652800 
1 1 1 2   7   19 o 53.67443 2.560714  606.5773       57.50076 545.4169       
81.00448 668.6949       81.63592 50.93936 3.787709 56.40951 3.447069 -5.470154 
5.121428 
1 1 1 2   7   20 o 252.4162 3.512017  13255.44       365.1336 12651.11       
468.0784 14194.76       583.5666 245.2095 4.546764 259.6230 5.353877 -14.41347 
7.024034 
1 1 1 2   7   21 o 138.9322 1.964161  3973.117       110.9391 3743.736       
138.6477 4381.335       184.9606 133.4880 2.473953 144.3763 3.051436 -10.88834 
3.928321 
1 1 1 2   7   22 o 239.5112 3.604260  12097.00       362.4216 12065.56       
510.8456 12128.86       514.2545 239.2002 5.086854 239.8223 5.107513 
-0.6221619     7.208521 
1 1 1 2   7   23 f 57.85447 2.387261  708.2029       57.05758 554.4307       
79.42865 872.1595       82.01678 51.31621 3.686750 64.39272 3.033800 -13.07651 
4.774523 
1 1 1 2   7   24 o 89.38776 1.951114  1680.295       73.21113 1697.427       
104.6103 1663.849       102.4945 89.83331 2.773691 88.94219 2.744818 0.8911209 
3.902229 
1 1 1 2   7   25 o 38.33022 3.369859  310.8524       54.11296 332.7476       
76.30222 288.6970       76.75435 39.69961 4.577960 36.96084 4.946320 2.738766 
6.739718 
1 1 1 2   7   26 o 105.0434 2.009809  2321.559       88.61579 2308.460       
126.4213 2334.211       124.2502 104.7494 2.874681 105.3373 2.809544 
-0.5878983     4.019618 
1 1 1 2   7   27 o 240.9769 2.581479  12224.10       260.8948 11953.63       
359.3112 12525.72       379.4324 238.1754 3.593313 243.7783 3.707323 -5.602936 
5.162958 
1 1 1 2   7   28 o 112.4847 2.348086  2666.620       110.8617 2648.535       
154.8671 2685.629       158.7699 112.0978 3.290662 112.8717 3.350460 
-0.7738647     4.696173 
1 1 1 2   7   29 o 211.0717 3.098522  9438.224       274.3391 9410.388       
379.9123 9468.557       396.5720 210.7858 4.293022 211.3576 4.469153 
-0.5718384     6.197045 
1 1 1 2   7   30 o 122.0504 2.128763  3127.323       108.5532 2985.045       
145.2811 3307.158       163.3348 118.9462 2.909241 125.1547 3.108513 -6.208496 
4.257527 
1 1 1 2   7   31 o 29.83165 4.656149  204.5204       59.47277 110.0298       
86.38450 289.6645       82.00101 22.90285 7.647770 36.76044 5.313241 -13.85759 
9.312299 
1 1 1 2   7   32 o 19.37246 7.779115  46.23786       96.55804 0.000000       
0.000000 46.23786       96.55804 ?        ?        19.37246 7.779115 ? ? 
1 1 1 2   7   33 f 19.68925 5.236150  61.37223       60.65800 21.19120       
83.25294 106.8388       88.55950 16.92999 7.055702 22.44852 7.738613 -5.518538 
10.47230 
1 1 1 2   7   34 o 22.60387 6.062675  76.59743       86.91518 171.4352       
120.7981 -25.19783      125.1507 27.09406 9.043715 18.11368 8.076837 8.980387 
12.12535 
1 1 1 2   7   35 o 79.43626 3.457009  1384.645       115.0203 1398.645       
157.9243 1368.829       167.8562 79.99116 4.702491 78.88137 5.068552 1.109787 
6.914018 
1 1 1 2   7   36 o 22.21321 6.244285  92.62705       86.20593 88.78796       
113.4451 97.87317       132.6142 21.62422 8.517705 22.80220 9.133075 -1.177979 
12.48857 
1 1 1 2   7   37 f 16.14543 5.324809  -96.56126      87.15881 -164.1741      
112.0757 6.903738       138.6416 13.05220 6.357710 19.23866 8.543645 -6.186469 
10.64962 
1 1 1 2   7   38 o 46.98706 5.036192  530.9202       94.13937 386.7488       
123.7681 728.8159       145.0065 38.61035 7.907816 55.36378 6.238537 -16.75343 
10.07238 
1 1 1 2   7   39 o 20.47125 6.124965  80.08038       88.69999 46.69019       
113.1248 133.3722       142.9153 18.33950 7.950319 22.60299 9.319508 -4.263489 
12.24993 
1 1 1 2   8   0  o 199.2809 0.9657384 8335.409       80.78887 8166.414       
113.3648 8509.804       115.1618 197.2288 1.369080 201.3329 1.362432 -4.104034 
1.931477 
1 1 1 2   8   1  o 111.5345 1.200353  2529.568       52.76448 2386.169       
63.55889 2847.522       94.64223 106.6114 1.420017 116.4575 1.935702 -9.846085 
2.400707 
1 1 1 2   8   2  o 282.0855 2.026008  16747.26       239.0226 16244.59       
350.7212 17183.22       326.6220 278.1185 3.003676 286.0526 2.719698 -7.934052 
4.052015 
1 1 1 2   8   3  o 146.8598 1.674010  4525.672       101.3584 4512.488       
131.3757 4545.060       159.3159 146.5997 2.134535 147.1200 2.579341 
-0.5202942     3.348020 
1 1 1 2   8   4  o 135.2221 1.898039  3777.333       105.7210 4152.520       
169.6798 3539.262       135.1634 140.6176 2.874163 129.8266 2.479798 10.79103 
3.796078 
1 1 1 2   8   5  o 125.2971 1.790966  3302.611       93.45493 3248.208       
140.7952 3345.458       124.9495 124.3703 2.696449 126.2239 2.357838 -1.853600 
3.581932 
1 1 1 2   8   6  o 108.0080 1.601897  2449.628       71.93999 2448.436       
109.5903 2450.531       95.36380 107.9829 2.417343 108.0331 2.102558 
-0.5014038E-01 3.203794 
1 1 1 2   8   7  o 331.6508 4.181431  22990.18       573.8399 22336.00       
745.8105 23939.41       898.3853 325.9480 5.450060 337.3537 6.343051 -11.40570 
8.362862 
1 1 1 2   8   8  o 230.8435 2.592957  11126.41       247.7652 10807.92       
322.2606 11586.82       387.4676 226.8397 3.383836 234.8473 3.929803 -8.007629 
5.185914 
1 1 1 2   8   9  o 172.2769 2.070302  6176.172       145.5515 6000.240       
184.0220 6470.140       237.8736 169.0381 2.593021 175.5156 3.228134 -6.477539 
4.140604 
1 1 1 2   8   10 o 286.5494 2.992276  17121.14       350.4358 17816.50       
569.5818 16697.60       444.5286 291.1671 4.659452 281.9316 3.755579 9.235504 
5.984552 
1 1 1 2   8   11 o 95.67274 1.866276  1923.639       74.88728 1881.507       
107.6164 1963.196       104.2757 94.65532 2.708037 96.69017 2.568751 -2.034851 
3.732553 
1 1 1 2   8   12 o 51.85424 1.956880  560.8005       42.45348 508.2532       
57.44171 624.0535       63.02214 49.19561 2.781135 54.51287 2.753691 -5.317253 
3.913761 
1 1 1 2   8   13 o 446.7638 2.971601  41534.39       532.6665 40600.69       
658.6187 43300.00       905.6882 439.6349 3.568314 453.8928 4.752767 -14.25790 
5.943202 
1 1 1 2   8   14 o 219.0947 3.183550  10086.59       292.7604 10027.51       
408.9258 10148.71       419.3215 218.4390 4.458979 219.7504 4.545049 -1.311386 
6.367100 
1 1 1 2   8   15 o 111.5689 1.921891  2609.177       89.86760 2535.296       
122.8815 2694.128       131.7672 109.8751 2.663841 113.2627 2.771031 -3.387543 
3.843782 
1 1 1 2   8   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   8   17 o 104.3737 2.017414  2287.866       88.38685 2299.400       
126.3321 2276.808       123.7051 104.6309 2.875907 104.1165 2.830017 0.5143433 
4.034828 
1 1 1 2   8   18 o 244.8936 2.832961  12574.14       290.6967 12140.11       
396.4103 13079.08       427.5702 240.3390 3.928637 249.4483 4.082705 -9.109299 
5.665921 
1 1 1 2   8   19 o 355.8209 4.954648  26695.93       740.0330 26803.17       
1057.160 26592.89       1036.282 356.5086 7.063041 355.1332 6.950366 1.375427 
9.909295 
1 1 1 2   8   20 o 99.66475 2.147873  2052.171       89.02953 1835.901       
116.5795 2354.793       137.9033 93.47289 2.970691 105.8566 3.102971 -12.38371 
4.295746 
1 1 1 2   8   21 o 163.8444 2.093449  5626.414       142.2666 5543.473       
186.5762 5741.623       219.8951 162.4204 2.736131 165.2683 3.169181 -2.847977 
4.186899 
1 1 1 2   8   22 o 232.1054 3.536268  11350.62       344.3348 11175.14       
476.3160 11542.72       498.3575 230.2422 4.927552 233.9686 5.073461 -3.726425 
7.072537 
1 1 1 2   8   23 o 144.9879 1.998488  4386.677       120.8509 4145.614       
160.3091 4704.027       183.9343 140.4182 2.719292 149.5575 2.929379 -9.139328 
3.996975 
1 1 1 2   8   24 o 191.2897 2.446533  7711.755       196.2956 7387.332       
279.1461 8029.105       276.0869 187.2909 3.550063 195.2885 3.367365 -7.997650 
4.893066 
1 1 1 2   8   25 o 310.9737 2.925833  20329.22       377.1914 19986.50       
493.8078 20809.25       584.4282 307.9454 3.819489 314.0019 4.433227 -6.056458 
5.851666 
1 1 1 2   8   26 o 147.9227 2.239273  4606.119       138.7858 4612.913       
190.4075 4598.417       202.7157 148.0519 3.063312 147.7934 3.267031 0.2584534 
4.478545 
1 1 1 2   8   27 o 185.6040 2.975072  7260.432       230.8732 7357.617       
343.4152 7180.283       311.8679 186.6959 4.381329 184.5121 4.025937 2.183838 
5.950143 
1 1 1 2   8   28 o 117.3902 2.269985  2904.531       111.8365 2975.328       
157.5856 2832.691       158.7423 118.8389 3.158487 115.9415 3.261180 2.897377 
4.539970 
1 1 1 2   8   29 o 201.6262 2.602007  8605.804       216.1814 8494.574       
338.7526 8682.228       280.7929 200.3989 4.026321 202.8535 3.297043 -2.454666 
5.204013 
1 1 1 2   8   30 o 183.7231 2.232189  7085.999       168.3161 6938.399       
215.3311 7317.828       269.8661 181.3826 2.827693 186.0636 3.454681 -4.681015 
4.464378 
1 1 1 2   8   31 o 65.44273 2.624729  908.8291       72.00979 852.7225       
101.8329 964.9453       101.8416 63.40050 3.825748 67.48496 3.594505 -4.084461 
5.249458 
1 1 1 2   8   32 o 71.36493 2.315984  1079.028       69.29636 1003.396       
96.70815 1158.840       99.34473 68.78040 3.349033 73.94946 3.199859 -5.169067 
4.631968 
1 1 1 2   8   33 o 36.34412 6.295288  301.4886       92.73048 371.0706       
154.7432 262.5006       115.8322 39.28995 9.476813 33.39830 8.289308 5.891651 
12.59058 
1 1 1 2   8   34 o 62.27663 3.621222  846.3987       94.31990 854.1696       
128.3558 837.2772       139.0637 62.69615 4.876359 61.85712 5.354823 0.8390236 
7.242445 
1 1 1 2   8   35 o 65.90127 3.758689  945.6117       103.3096 836.0806       
137.2865 1088.615       156.8673 61.56141 5.311781 70.24113 5.319393 -8.679722 
7.517377 
1 1 1 2   8   36 o 23.04296 6.118742  106.0754       86.21749 174.3733       
114.1140 15.23085       131.6088 26.58856 8.789948 19.49737 8.514270 7.091190 
12.23748 
1 1 1 2   8   37 o 45.41984 5.317749  506.6343       96.36746 542.1109       
127.0365 458.5493       147.8984 48.43538 6.247222 42.40430 8.607324 6.031082 
10.63550 
1 1 1 2   8   38 o 26.65763 6.476896  185.0545       86.87417 141.4638       
112.2534 250.1523       137.1783 23.64700 8.655713 29.66825 9.637393 -6.021248 
12.95379 
1 1 1 2   8   39 o 44.18398 5.584405  463.1386       97.02000 260.4124       
119.4239 856.6553       166.3864 29.86188 8.880133 58.50607 6.773888 -28.64420 
11.16881 
1 1 1 2   9   0  o 336.1640 1.614188  23729.97       227.7994 23546.75       
323.2823 23910.66       321.0433 334.8744 2.299434 337.4536 2.266057 -2.579163 
3.228376 
1 1 1 2   9   1  f 348.2853 2.136389  25307.06       302.5573 24816.34       
381.1244 26143.35       497.5389 343.7690 2.640712 352.8015 3.359059 -9.032501 
4.272779 
1 1 1 2   9   2  o 120.8232 1.349318  3019.160       65.87336 3230.667       
110.8520 2903.698       81.90318 124.0427 2.128597 117.6036 1.658827 6.439087 
2.698635 
1 1 1 2   9   3  o 261.6093 2.799516  14298.57       294.6705 14654.84       
495.9658 14104.19       366.3391 264.0850 4.473310 259.1335 3.367293 4.951538 
5.599032 
1 1 1 2   9   4  o 208.6696 1.845037  9133.046       152.0587 9112.491       
185.7286 9174.829       264.8180 208.3262 2.123518 209.0130 3.017833 
-0.6867676     3.690073 
1 1 1 2   9   5  o 185.3888 2.054393  7020.410       155.2304 6455.552       
194.1078 8022.598       258.5520 175.3335 2.636934 195.4441 3.150985 -20.11064 
4.108786 
1 1 1 2   9   6  o 266.9658 2.654992  14774.02       270.5717 15445.81       
506.2020 14505.32       320.1425 271.1195 4.447175 262.8121 2.901476 8.307343 
5.309984 
1 1 1 2   9   7  o 213.0251 1.577992  9440.122       135.1992 9832.729       
228.6085 9228.946       167.6624 216.3924 2.516353 209.6578 1.904783 6.734528 
3.155984 
1 1 1 2   9   8  o 106.4428 1.870991  2354.640       83.01424 2185.382       
109.7110 2581.343       126.9709 102.0154 2.561565 110.8703 2.727786 -8.854851 
3.741982 
1 1 1 2   9   9  o 228.0916 2.055016  10927.04       196.7118 10884.05       
281.9055 10967.85       274.6223 227.6528 2.949522 228.5305 2.862285 
-0.8777008     4.110031 
1 1 1 2   9   10 o 209.3791 3.091085  9211.766       271.6950 9220.246       
387.0033 9203.524       381.5248 209.4727 4.400563 209.2855 4.342150 0.1872559 
6.182169 
1 1 1 2   9   11 o 113.1945 1.637379  2685.473       77.74094 2564.970       
107.2484 2818.892       112.8500 110.5237 2.311300 115.8652 2.319900 -5.341507 
3.274759 
1 1 1 2   9   12 o 277.5974 2.417034  16135.07       279.0443 15824.81       
368.4890 16552.20       427.2572 274.4896 3.197568 280.7052 3.625433 -6.215637 
4.834067 
1 1 1 2   9   13 o 606.6125 5.576030  77465.99       1419.380 76236.09       
1970.630 78791.93       2046.111 601.6336 7.801786 611.5914 7.968725 -9.957825 
11.15206 
1 1 1 2   9   14 f 86.60117 1.917090  1571.655       69.62203 1504.853       
95.71138 1646.724       101.4608 84.65121 2.693094 88.55112 2.729137 -3.899918 
3.834181 
1 1 1 2   9   15 o 189.0360 2.947786  7268.543       217.8703 8164.064       
396.6865 6881.728       260.7119 197.0749 4.794433 180.9972 3.430916 16.07765 
5.895572 
1 1 1 2   9   16 o 152.2582 1.893388  4868.364       121.0172 4764.375       
170.4616 4974.035       171.8351 150.6185 2.695685 153.8979 2.659503 -3.279327 
3.786776 
1 1 1 2   9   17 o 123.5788 2.143438  3202.322       110.6191 3260.310       
165.8359 3155.837       148.4776 124.5813 3.170638 122.5764 2.885196 2.004898 
4.286875 
1 1 1 2   9   18 o 172.5875 2.029385  6257.298       147.0333 6207.675       
208.7628 6306.145       207.1198 171.9076 2.892539 173.2675 2.847251 -1.359879 
4.058771 
1 1 1 2   9   19 o 238.3493 3.044587  11949.60       304.3556 12023.17       
421.7606 11869.66       439.6437 239.1250 4.201092 237.5736 4.407818 1.551331 
6.089173 
1 1 1 2   9   20 o 366.7047 2.676764  28221.41       410.1849 27750.04       
551.9319 28802.95       613.0477 363.3164 3.618441 370.0930 3.945521 -6.776611 
5.353528 
1 1 1 2   9   21 o 63.89186 2.231422  857.6141       59.81977 816.5682       
83.59255 900.6959       85.64049 62.32480 3.194683 65.45892 3.116244 -3.134117 
4.462843 
1 1 1 2   9   22 o 156.5320 2.217320  5131.362       145.4108 4816.130       
198.0747 5499.834       214.1484 151.3407 3.117412 161.7234 3.154010 -10.38264 
4.434640 
1 1 1 2   9   23 o 102.7201 2.145149  2214.567       92.39188 2128.023       
126.7894 2312.555       134.9123 100.5870 3.002357 104.8532 3.064719 -4.266281 
4.290297 
1 1 1 2   9   24 o 225.8340 3.216302  10769.63       304.6921 10284.92       
431.5551 11251.42       430.2474 220.7353 4.656778 230.9327 4.437659 -10.19739 
6.432604 
1 1 1 2   9   25 o 178.5327 2.666641  6703.454       199.5043 6930.357       
292.9504 6507.201       272.4474 181.3301 3.848091 175.7352 3.692708 5.594818 
5.333282 
1 1 1 2   9   26 o 164.0907 2.473029  5684.519       168.9694 5559.109       
254.3251 5783.619       226.0787 162.4297 3.729452 165.7518 3.248796 -3.322144 
4.946058 
1 1 1 2   9   27 o 82.20219 2.013442  1419.248       69.11385 1445.537       
103.6599 1398.208       92.73379 82.87720 2.979179 81.52718 2.709297 1.350029 
4.026885 
1 1 1 2   9   28 o 34.35535 4.131078  254.4731       58.26805 269.8073       
83.05728 239.6124       81.76485 35.65701 5.548223 33.05369 6.122127 2.603317 
8.262156 
1 1 1 2   9   29 o 50.59365 3.053897  542.6075       64.39335 460.6288       
89.70436 629.7595       92.49148 46.61897 4.583233 54.56833 4.037218 -7.949364 
6.107795 
1 1 1 2   9   30 o 120.4840 2.362682  3062.352       119.4032 3163.708       
173.4531 2971.059       164.6164 122.3682 3.376248 118.5997 3.306058 3.768501 
4.725364 
1 1 1 2   9   31 o 47.12708 3.128453  472.7854       61.87807 480.3994       
86.88955 464.9504       88.14151 47.52214 4.355045 46.73203 4.492488 0.7901115 
6.256906 
1 1 1 2   9   32 o 23.47576 5.083473  121.3453       55.29579 143.2841       
78.72642 99.98351       77.68412 25.19063 7.125250 21.76089 7.252421 3.429739 
10.16695 
1 1 1 2   9   33 o 93.98984 3.081202  1897.580       121.0198 1865.854       
179.0938 1924.239       164.1736 93.16105 4.578964 94.81863 4.124114 -1.657585 
6.162404 
1 1 1 2   9   34 o 24.85804 6.122744  129.5287       80.39865 77.85645       
110.4652 187.7319       117.2386 21.53993 8.426185 28.17614 8.885459 -6.636211 
12.24549 
1 1 1 2   9   35 o 88.86768 4.479266  1716.141       167.1204 1716.141       
167.1204 0.000000       0.000000 88.86768 4.479266 ?        ?        ? ? 
1 1 1 2   9   36 o 27.95395 6.283607  190.0696       84.86316 134.4186       
115.9840 254.1898       124.4970 24.28141 8.807108 31.62649 8.964917 -7.345078 
12.56721 
1 1 1 2   9   37 o 18.04343 5.690814  -5.741592      87.15286 10.23438       
115.5769 -26.80012      132.6940 18.13110 7.947703 17.95577 8.147114 0.1753368 
11.38163 
1 1 1 2   9   38 o 24.50107 6.044924  90.44137       88.97155 -50.10317      
113.8393 311.0330       142.6197 15.74431 7.282885 33.25784 9.650079 -17.51354 
12.08985 
1 1 1 2   9   39 o 32.69064 5.443707  223.1770       92.46817 12.68157       
115.4065 600.6309       154.5400 17.31860 7.738242 48.06269 7.658679 -30.74409 
10.88741 
1 1 1 2   10  0  o 243.5920 1.587656  12466.64       156.5198 12487.37       
196.8170 12430.98       258.1667 243.8761 1.922270 243.3079 2.527348 0.5682220 
3.175313 
1 1 1 2   10  1  o 97.89363 1.387159  1988.002       55.29941 1917.466       
69.57883 2108.967       91.11689 95.56647 1.734174 100.2208 2.165520 -4.654305 
2.774317 
1 1 1 2   10  2  o 198.4974 1.753597  8219.487       130.7617 8394.830       
249.8503 8153.342       153.4561 199.9320 2.976588 197.0629 1.854814 2.869095 
3.507194 
1 1 1 2   10  3  o 210.3278 2.057317  9330.355       173.7152 9152.494       
290.6525 9429.198       216.6728 208.7480 3.316446 211.9076 2.435448 -3.159668 
4.114635 
1 1 1 2   10  4  o 157.5718 1.722319  5169.956       111.0378 5404.398       
180.1254 5026.261       141.0191 160.4240 2.674402 154.7196 2.170969 5.704346 
3.444638 
1 1 1 2   10  5  o 86.83969 1.386622  1575.207       50.22940 1516.070       
66.81759 1652.051       76.16739 84.97594 1.872905 88.70344 2.045265 -3.727493 
2.773245 
1 1 1 2   10  6  f 215.6579 2.167245  9729.952       189.9124 9620.134       
239.4177 9916.305       311.8806 214.0359 2.664346 217.2799 3.418927 -3.244003 
4.334490 
1 1 1 2   10  7  o 136.1585 1.702283  3892.922       97.29432 3896.553       
136.4283 3889.164       138.7921 136.2235 2.385467 136.0935 2.429117 0.1299591 
3.404565 
1 1 1 2   10  8  o 306.5913 2.906546  19773.42       371.9097 19979.82       
500.9077 19519.87       555.1904 308.3917 3.868798 304.7909 4.338714 3.600861 
5.813092 
1 1 1 2   10  9  o 143.1756 1.765843  4290.280       104.9459 4397.635       
161.8992 4212.481       137.8227 144.7120 2.664778 141.6393 2.317706 3.072769 
3.531686 
1 1 1 2   10  10 o 281.7951 2.621339  16574.64       302.7881 17165.95       
487.6618 16203.67       386.2628 285.8385 4.063676 277.7517 3.312433 8.086792 
5.242679 
1 1 1 2   10  11 o 204.5224 1.991109  8739.236       168.0347 8547.771       
217.2452 9024.371       265.1134 201.7557 2.564753 207.2891 3.046325 -5.533432 
3.982217 
1 1 1 2   10  12 o 383.9676 4.762896  31024.51       767.7441 31040.37       
1092.103 31009.01       1079.515 384.0593 6.773084 383.8758 6.698211 0.1835327 
9.525791 
1 1 1 2   10  13 o 392.6934 4.280220  32334.20       703.0338 31318.44       
947.9927 33575.56       1047.991 385.8883 5.851462 399.4985 6.248322 -13.61020 
8.560440 
1 1 1 2   10  14 o 180.0939 2.200791  6754.095       162.5988 7079.660       
261.9402 6550.004       207.3938 183.5848 3.398494 176.6030 2.797169 6.981812 
4.401581 
1 1 1 2   10  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   10  16 o 462.8240 6.941597  44882.82       1304.782 46671.49       
2154.552 43846.94       1639.638 469.7031 10.92584 455.9449 8.565579 13.75821 
13.88319 
1 1 1 2   10  17 o 163.5293 2.240880  5617.658       153.7156 5311.076       
215.9110 5932.767       218.8930 159.0025 3.234386 168.0561 3.102406 -9.053635 
4.481761 
1 1 1 2   10  18 o 273.8032 3.737037  15773.57       429.5759 15834.85       
606.9113 15712.04       608.1145 274.3380 5.269389 273.2684 5.300502 1.069641 
7.474074 
1 1 1 2   10  19 o 232.1061 2.636324  11331.58       256.1347 11224.81       
376.1111 11423.93       349.7790 231.0731 3.876929 233.1392 3.573547 -2.066055 
5.272648 
1 1 1 2   10  20 o 85.03886 2.139162  1497.280       75.56328 1375.611       
98.54626 1670.888       117.7163 80.91164 2.901017 89.16609 3.144545 -8.254456 
4.278325 
1 1 1 2   10  21 o 266.5966 2.896894  14954.21       324.2253 14800.77       
456.0114 15111.08       461.0782 265.2139 4.095439 267.9792 4.098213 -2.765320 
5.793787 
1 1 1 2   10  22 o 59.44409 2.184292  741.7990       54.14732 630.0765       
74.73419 865.2554       78.56078 54.73485 3.252194 64.15333 2.916806 -9.418480 
4.368584 
1 1 1 2   10  23 f 252.5354 3.136866  13455.00       331.6819 13298.54       
485.7383 13591.70       454.0060 251.1164 4.607319 253.9545 4.258207 -2.838058 
6.273732 
1 1 1 2   10  24 o 68.58385 2.328091  974.7315       66.49709 1153.445       
101.2785 839.3105       88.16208 74.02549 3.258795 63.14220 3.325701 10.88329 
4.656182 
1 1 1 2   10  25 o 54.26535 2.694422  620.7434       61.37321 629.5184       
86.35451 611.7870       87.24197 54.65561 3.763322 53.87510 3.857078 0.7805061 
5.388844 
1 1 1 2   10  26 o 164.7243 2.745970  5694.617       189.0853 5472.163       
253.9212 5971.521       283.2982 161.1506 3.753082 168.2980 4.009461 -7.147369 
5.491940 
1 1 1 2   10  27 o 198.6806 2.798866  8315.550       233.3491 8029.291       
324.2141 8623.216       336.1187 195.1366 3.957439 202.2246 3.958948 -7.088013 
5.597731 
1 1 1 2   10  28 o 48.07030 3.122173  487.7986       62.91487 526.9186       
90.56528 451.3104       87.46575 49.93779 4.319699 46.20283 4.509107 3.734959 
6.244345 
1 1 1 2   10  29 o 247.9714 3.352351  13044.92       348.8468 12671.73       
495.2404 13412.45       491.4690 244.4042 4.826456 251.5386 4.653853 -7.134338 
6.704702 
1 1 1 2   10  30 o 70.60304 2.473820  1047.832       73.10788 1130.613       
108.6409 979.3216       98.83389 73.13205 3.538396 68.07404 3.458163 5.058014 
4.947639 
1 1 1 2   10  31 f 124.5488 2.120595  3283.667       110.6417 3097.254       
158.4907 3460.872       154.5265 121.0621 3.118293 128.0355 2.874708 -6.973434 
4.241190 
1 1 1 2   10  32 o 41.86626 3.222252  368.9490       56.19612 434.6115       
85.56908 319.1508       74.51857 45.09794 4.519404 38.63457 4.594195 6.463367 
6.444505 
1 1 1 2   10  33 o 24.31018 5.934225  114.3076       81.56446 9.060898       
122.1684 198.9487       109.5583 19.39832 8.333014 29.22204 8.451095 -9.823719 
11.86845 
1 1 1 2   10  34 o 30.78020 6.259029  224.9071       85.02504 257.9801       
127.1462 198.1535       114.3554 32.67044 8.991240 28.88996 8.709731 3.780478 
12.51806 
1 1 1 2   10  35 o 28.73889 6.006295  199.2719       77.51524 220.4856       
113.4875 180.7202       106.1283 30.05605 8.572051 27.42173 8.415596 2.634323 
12.01259 
1 1 1 2   10  36 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   10  37 o 54.37347 4.092704  665.2213       92.87736 577.3448       
125.2215 772.6804       138.4727 50.31876 5.927480 58.42818 5.644987 -8.109417 
8.185408 
1 1 1 2   10  38 o 80.99187 4.896897  1555.793       154.3957 1615.346       
274.1403 1528.128       186.8471 80.18190 8.143622 81.80183 5.440570 -1.619934 
9.793794 
1 1 1 2   10  39 o 33.20597 6.377837  298.2308       94.34699 186.4324       
120.9929 471.6656       150.6990 25.51162 9.020679 40.90031 9.018568 -15.38870 
12.75567 
1 1 1 2   11  0  o 134.3065 2.105236  3721.193       85.44311 3692.235       
92.66009 3885.664       220.8290 132.6137 1.664276 135.9993 3.867590 -3.385620 
4.210472 
1 1 1 2   11  1  f 275.7972 2.186426  15747.84       213.6626 15556.00       
243.0611 16400.10       448.1826 272.1905 2.126981 279.4039 3.820705 -7.213440 
4.372852 
1 1 1 2   11  2  o 232.7108 1.766201  11323.19       169.0168 11137.33       
217.2114 11608.41       269.0859 230.3079 2.246440 235.1136 2.726053 -4.805649 
3.532401 
1 1 1 2   11  3  o 46.93367 1.496738  459.8417       29.40641 501.7112       
43.59936 424.8994       39.82972 48.88227 2.124466 44.98506 2.108919 3.897209 
2.993475 
1 1 1 2   11  4  o 271.8430 2.851478  15550.89       324.9075 14843.13       
465.4275 16223.64       453.7714 265.7921 4.170913 277.8938 3.889370 -12.10178 
5.702957 
1 1 1 2   11  5  o 111.7694 1.558193  2634.713       72.57758 2515.761       
108.0357 2732.552       97.97993 109.4581 2.350935 114.0808 2.045718 -4.622711 
3.116385 
1 1 1 2   11  6  o 602.9006 5.946610  76487.69       1384.588 76829.58       
2513.219 76338.70       1659.070 603.4335 9.920236 602.3676 6.560306 1.065918 
11.89322 
1 1 1 2   11  7  o 123.3970 1.597582  3153.292       81.53157 2959.698       
105.2385 3443.936       128.9464 118.7268 2.111285 128.0672 2.398240 -9.340385 
3.195165 
1 1 1 2   11  8  o 293.8904 2.947501  18142.26       355.6638 18122.63       
457.3811 18172.29       565.6699 293.7172 3.709112 294.0636 4.581871 
-0.3464355     5.895002 
1 1 1 2   11  9  o 191.7119 2.719847  7630.247       215.1361 7259.616       
276.6654 8197.134       342.1625 185.9038 3.544767 197.5201 4.126123 -11.61632 
5.439693 
1 1 1 2   11  10 o 324.8440 2.484345  22155.84       338.6974 21809.74       
471.4818 22524.90       486.8699 322.2255 3.485187 327.4625 3.541379 -5.237000 
4.968691 
1 1 1 2   11  11 o 213.0214 2.197445  9518.201       192.8104 9466.887       
249.2646 9594.641       304.2251 212.3182 2.796370 213.7247 3.390482 -1.406525 
4.394889 
1 1 1 2   11  12 o 345.3203 3.635608  24984.18       523.1748 25739.58       
794.6636 24406.27       695.0613 349.8849 5.409776 340.7556 4.858488 9.129242 
7.271216 
1 1 1 2   11  13 o 68.24774 1.771270  977.2341       50.72548 935.8193       
70.64812 1021.304       72.87714 66.75640 2.520744 69.73909 2.489064 -2.982689 
3.542540 
1 1 1 2   11  14 f 279.2863 2.498818  16278.48       284.2147 15955.65       
358.8363 16821.93       465.5732 275.6188 3.101049 282.9538 3.919165 -7.335022 
4.997635 
1 1 1 2   11  15 o 277.9872 5.920838  15714.37       579.8552 17368.40       
1242.696 15254.01       655.6016 286.6899 10.32460 269.2845 5.798956 17.40549 
11.84168 
1 1 1 2   11  16 o 297.7448 3.777596  18607.25       462.0218 18828.84       
735.6178 18462.89       593.7405 299.1479 5.857162 296.3415 4.772273 2.806427 
7.555193 
1 1 1 2   11  17 o 336.9159 3.323042  23793.19       467.7864 23148.90       
627.7863 24597.48       701.4216 331.8262 4.506321 342.0055 4.885028 -10.17926 
6.646084 
1 1 1 2   11  18 o 267.9600 2.809824  15064.04       310.0277 15240.92       
490.0641 14946.01       400.3164 269.2343 4.335543 266.6856 3.575402 2.548706 
5.619647 
1 1 1 2   11  19 o 297.8219 4.762830  18583.67       580.8961 19245.54       
937.8160 18171.64       739.9338 301.9567 7.397655 293.6871 6.001076 8.269623 
9.525661 
1 1 1 2   11  20 o 80.92314 1.699874  1349.677       57.20451 1161.832       
75.21272 1607.454       88.10772 74.36942 2.408896 87.47686 2.399064 -13.10744 
3.399748 
1 1 1 2   11  21 o 100.0756 2.181763  2067.050       90.78584 1826.678       
118.8528 2403.757       140.6677 93.21999 3.036835 106.9311 3.133368 -13.71114 
4.363526 
1 1 1 2   11  22 o 149.2233 1.756319  4672.304       109.4118 4612.662       
146.6932 4747.080       164.2551 148.1600 2.358305 150.2866 2.603273 -2.126602 
3.512639 
1 1 1 2   11  23 o 171.3107 2.453666  6184.385       175.3641 6109.594       
262.3076 6244.826       235.8082 170.3462 3.667748 172.2751 3.260298 -1.928894 
4.907333 
1 1 1 2   11  24 o 170.9095 2.185654  6143.706       156.7683 6258.553       
225.5427 6036.357       218.0545 172.4506 3.115194 169.3683 3.066577 3.082291 
4.371308 
1 1 1 2   11  25 o 54.48801 2.674359  627.4153       60.72113 533.7104       
85.03269 724.9162       86.73800 50.31092 4.025731 58.66509 3.521687 -8.354172 
5.348718 
1 1 1 2   11  26 o 129.5839 2.075142  3436.469       109.3521 3171.966       
136.3174 3913.919       183.1473 122.8092 2.643879 136.3587 3.199182 -13.54951 
4.150284 
1 1 1 2   11  27 o 58.83405 2.557754  729.4825       63.13651 725.8241       
90.82759 732.9031       87.82510 58.68702 3.686352 58.98108 3.546721 
-0.2940521     5.115508 
1 1 1 2   11  28 o 226.5586 2.236976  10598.47       196.8159 10265.76       
235.2491 11374.60       359.3026 220.8921 2.536699 232.2251 3.685295 -11.33295 
4.473951 
1 1 1 2   11  29 o 45.13363 3.132275  431.4470       59.32581 432.6080       
82.73312 430.2183       85.11636 45.20238 4.359525 45.06488 4.498792 0.1375008 
6.264550 
1 1 1 2   11  30 o 193.9930 2.135482  7928.160       173.6127 7749.639       
237.4307 8133.287       254.5088 191.6722 2.950522 196.3138 3.087969 -4.641632 
4.270964 
1 1 1 2   11  31 o 102.9000 2.089284  2236.539       89.87589 2230.100       
133.2743 2241.910       121.7178 102.7354 3.089920 103.0645 2.812975 
-0.3290863     4.178568 
1 1 1 2   11  32 o 74.77453 2.413332  1174.886       75.17061 1105.461       
99.19073 1268.555       115.2143 72.23351 3.270796 77.31555 3.549446 -5.082047 
4.826663 
1 1 1 2   11  33 o 82.94223 3.344125  1490.721       115.4277 1372.122       
170.3601 1591.375       156.9429 79.71073 5.090639 86.17374 4.337982 -6.463005 
6.688250 
1 1 1 2   11  34 o 31.62833 5.968526  230.5507       85.22881 350.4239       
126.2617 130.2110       115.5172 38.56916 8.059423 24.68751 8.805618 13.88165 
11.93705 
1 1 1 2   11  35 f 30.04049 6.160459  211.5962       85.71648 310.0048       
127.7726 131.0664       115.5845 35.62106 8.623722 24.45993 8.799798 11.16113 
12.32092 
1 1 1 2   11  36 o 27.48812 6.268504  186.3819       82.73547 206.7980       
115.8069 165.0980       118.2423 28.79446 8.781697 26.18178 8.947534 2.612679 
12.53701 
1 1 1 2   11  37 o 48.55251 5.774247  534.6368       117.7026 0.000000       
0.000000 534.6368       117.7026 ?        ?        48.55251 5.774247 ? ? 
1 1 1 2   11  38 o 22.65163 6.171769  116.8528       82.86575 124.0873       
113.1932 108.4980       121.6422 22.95555 8.640985 22.34771 8.814549 0.6078434 
12.34354 
1 1 1 2   11  39 o 22.35140 6.025142  112.7135       89.14309 208.9848       
117.8343 -16.11142      136.3086 27.04117 8.932084 17.66162 8.088708 9.379553 
12.05028 
1 1 1 2   12  0  o 401.7862 2.569360  33705.20       395.6992 33410.03       
470.6149 34417.30       730.9822 398.8604 2.810385 404.7120 4.302114 -5.851593 
5.138720 
1 1 1 2   12  1  o 289.0504 1.762101  17351.19       201.8268 16973.91       
246.1827 18124.56       352.4659 284.3263 2.062347 293.7745 2.857749 -9.448273 
3.524202 
1 1 1 2   12  2  o 359.3365 2.692243  27095.91       405.2019 26705.86       
552.5889 27549.57       595.9483 356.5506 3.691493 362.1223 3.919894 -5.571686 
5.384486 
1 1 1 2   12  3  o 262.3579 2.073642  14059.29       203.4187 13610.02       
236.7410 15326.76       397.6411 254.5942 2.214859 270.1216 3.506332 -15.52739 
4.147285 
1 1 1 2   12  4  o 263.3080 2.120114  14547.50       234.2601 14107.20       
325.3625 15021.44       337.5618 259.1751 2.990166 267.4408 3.006400 -8.265625 
4.240228 
1 1 1 2   12  5  o 192.9052 1.925373  7798.029       152.8254 7732.296       
197.0056 7897.359       242.1758 191.8939 2.445336 193.9166 2.974657 -2.022690 
3.850747 
1 1 1 2   12  6  f 344.5354 4.170200  24997.95       600.9085 24553.60       
885.1369 25377.84       818.4066 341.6615 6.170714 347.4093 5.611110 -5.747772 
8.340400 
1 1 1 2   12  7  o 364.2564 3.418082  27861.60       492.3488 27962.64       
855.0705 27811.48       602.1944 364.6744 5.584929 363.8383 3.942297 0.8360901 
6.836164 
1 1 1 2   12  8  o 322.4402 2.760359  21781.89       361.1425 22076.86       
594.3610 21609.25       454.7067 324.1329 4.367654 320.7475 3.376674 3.385437 
5.520719 
1 1 1 2   12  9  o 326.3719 2.555247  22361.62       348.8465 22212.57       
472.7836 22539.74       516.8423 325.1882 3.462970 327.5555 3.758324 -2.367249 
5.110495 
1 1 1 2   12  10 o 131.0032 1.681895  3534.033       88.03624 3827.123       
152.3080 3386.982       107.8841 134.9977 2.687308 127.0087 2.023228 7.988945 
3.363789 
1 1 1 2   12  11 f 267.3873 3.683768  15021.44       412.3958 15155.09       
607.3823 14907.13       561.7217 268.4760 5.388622 266.2986 5.024275 2.177368 
7.367536 
1 1 1 2   12  12 o 126.0600 1.692062  3337.294       89.53332 3357.977       
125.5900 3315.918       127.6741 126.4577 2.365543 125.6623 2.420020 0.7953720 
3.384124 
1 1 1 2   12  13 o 23.73678 3.938255  124.5092       43.23829 38.25275       
63.46260 199.2377       59.06981 16.68459 6.415364 30.78897 4.569740 -14.10437 
7.876511 
1 1 1 2   12  14 o 218.1585 3.730265  10015.75       341.2845 9804.289       
491.1071 10213.25       474.6138 215.9196 5.417579 220.3974 5.129262 -4.477859 
7.460529 
1 1 1 2   12  15 o 144.5091 2.082139  4398.916       125.3610 4276.579       
187.8713 4497.104       168.3114 142.6872 3.136148 146.3309 2.739671 -3.643738 
4.164279 
1 1 1 2   12  16 o 318.4680 3.188855  21253.80       415.3310 21615.03       
670.3198 21028.71       529.1403 320.6073 4.980004 316.3286 3.984313 4.278687 
6.377710 
1 1 1 2   12  17 o 318.6605 2.409292  21320.52       314.1801 21402.87       
504.6455 21268.40       401.4776 319.1301 3.766515 318.1908 3.005348 0.9392700 
4.818584 
1 1 1 2   12  18 f 173.1147 2.052709  6277.428       147.7827 6426.420       
226.2039 6166.479       195.1996 174.8932 3.080691 171.3361 2.713632 3.557098 
4.105418 
1 1 1 2   12  19 o 64.23227 2.435448  867.3204       65.33060 865.7332       
97.47722 868.6146       88.02670 64.17471 3.617931 64.28983 3.261318 
-0.1151199     4.870895 
1 1 1 2   12  20 o 239.8495 3.504079  12115.32       346.2815 12107.87       
544.6429 12120.38       448.6340 239.7151 5.411749 239.9839 4.452779 
-0.2688293     7.008157 
1 1 1 2   12  21 o 141.3242 1.884413  4196.989       111.2497 4199.626       
165.8412 4194.832       150.0092 141.3567 2.794454 141.2916 2.528848 
0.6513977E-01  3.768825 
1 1 1 2   12  22 o 63.68311 2.262582  853.1949       60.47697 864.8620       
84.93056 841.1941       86.13690 64.12659 3.154619 63.23962 3.244301 0.8869781 
4.525164 
1 1 1 2   12  23 o 103.8544 1.866962  2268.956       81.34967 2180.796       
115.2860 2356.385       114.8071 101.8406 2.696353 105.8683 2.582997 -4.027794 
3.733924 
1 1 1 2   12  24 o 168.4728 1.964496  5969.065       138.8776 5934.219       
193.0444 6006.446       199.9423 167.9683 2.737481 168.9774 2.818364 -1.009094 
3.928992 
1 1 1 2   12  25 o 66.14522 2.370675  919.4914       65.65533 1019.002       
94.97985 828.4290       90.85853 69.57198 3.251758 62.71845 3.450575 6.853535 
4.741349 
1 1 1 2   12  26 o 88.36179 1.853902  1637.853       68.47290 1599.610       
92.13448 1685.035       102.3379 87.21902 2.516124 89.50455 2.723405 -2.285522 
3.707805 
1 1 1 2   12  27 o 291.4550 3.875611  17996.53       471.9622 17892.90       
701.4522 18082.24       637.9661 290.5610 5.750186 292.3491 5.197768 -1.788116 
7.751221 
1 1 1 2   12  28 o 131.8575 2.150150  3560.184       116.2015 3227.932       
146.5341 4123.125       190.7377 123.8293 2.818619 139.8858 3.247762 -16.05649 
4.300299 
1 1 1 2   12  29 o 72.30441 2.493508  1097.189       75.46951 1200.197       
111.8818 1011.187       102.2301 75.39912 3.534386 69.20970 3.518301 6.189423 
4.987016 
1 1 1 2   12  30 o 90.95124 2.277929  1742.061       86.69666 1693.755       
117.2748 1800.276       128.7410 89.58116 3.118236 92.32132 3.321513 -2.740158 
4.555859 
1 1 1 2   12  31 o 81.27597 2.334227  1393.947       79.55717 1464.948       
115.9354 1330.756       109.3728 83.22458 3.318071 79.32737 3.284032 3.897209 
4.668454 
1 1 1 2   12  32 o 108.2839 3.033078  2449.108       134.1076 2292.418       
168.6652 2718.440       221.1304 103.8304 3.869209 112.7373 4.671988 -8.906975 
6.066155 
1 1 1 2   12  33 o 18.10715 5.565026  -19.05883      82.43237 -99.34680      
123.5936 45.27451       110.6340 16.03296 7.482200 20.18135 8.239828 -4.148392 
11.13005 
1 1 1 2   12  34 o 17.78474 5.584565  -23.35484      82.91259 -4.909725      
123.7276 -38.38931      111.7043 18.82654 8.238064 16.74294 7.542132 2.083605 
11.16913 
1 1 1 2   12  35 o 86.05123 3.343071  1634.057       118.7972 1450.714       
177.9959 1781.326       159.5266 81.30377 5.214592 90.79869 4.184797 -9.494919 
6.686142 
1 1 1 2   12  36 o 46.18276 4.841041  488.7447       93.62811 506.0132       
138.1897 474.0905       127.3000 46.82755 7.029028 45.53798 6.658488 1.289570 
9.682081 
1 1 1 2   12  37 o 52.91113 4.152644  624.3652       90.79955 702.2168       
144.3804 573.4291       116.7850 55.34996 6.213151 50.47231 5.511312 4.877651 
8.305287 
1 1 1 2   12  38 o 33.52493 6.974986  312.5096       102.1031 315.9524       
176.1624 310.7680       125.2947 32.69624 10.92128 34.35363 8.679137 -1.657387 
13.94997 
1 1 1 2   12  39 o 24.70584 6.250510  163.4664       86.92470 234.2520       
120.6952 87.18389       125.2939 28.61086 9.014098 20.80083 8.661497 7.810034 
12.50102 
1 1 1 2   13  0  o 189.7862 1.587265  7559.982       126.3570 7634.503       
183.0245 7492.117       174.6603 190.6785 2.286276 188.8940 2.202404 1.784470 
3.174530 
1 1 1 2   13  1  o 425.8536 3.362217  38059.41       532.7246 37993.16       
622.5862 38240.53       1029.357 425.2863 3.486897 426.4208 5.749744 -1.134521 
6.724433 
1 1 1 2   13  2  o 147.1988 1.700124  4385.792       91.82260 4223.371       
105.6198 4888.494       185.8143 141.8298 1.773776 152.5677 2.900932 -10.73788 
3.400249 
1 1 1 2   13  3  o 518.1168 4.955679  56485.30       1066.561 56384.88       
1409.004 56620.05       1632.174 517.6777 6.482969 518.5560 7.497076 
-0.8783569     9.911359 
1 1 1 2   13  4  o 161.9337 1.710516  5472.244       106.9476 5420.438       
127.8660 5592.880       195.1195 160.6758 1.895509 163.1915 2.847895 -2.515793 
3.421032 
1 1 1 2   13  5  o 479.5928 3.133599  48176.17       625.6349 47162.41       
828.5529 49520.90       954.2686 473.7720 4.165545 485.4136 4.682521 -11.64160 
6.267198 
1 1 1 2   13  6  o 146.7804 1.592823  4518.295       98.08465 4293.795       
136.2451 4759.830       141.3193 142.9998 2.269375 150.5610 2.235683 -7.561127 
3.185646 
1 1 1 2   13  7  o 231.9661 2.075871  11135.10       189.7676 11776.50       
335.9706 10834.60       229.9644 236.7820 3.379666 227.1503 2.411395 9.631699 
4.151742 
1 1 1 2   13  8  o 246.9774 2.430742  12528.43       216.3185 12269.04       
247.4696 13368.54       445.3680 241.7187 2.438556 252.2361 4.205647 -10.51743 
4.861484 
1 1 1 2   13  9  o 555.7061 6.571754  65171.20       1519.318 65413.59       
2019.571 64855.13       2306.108 557.0779 8.635038 554.3342 9.908982 2.743652 
13.14351 
1 1 1 2   13  10 o 300.0577 3.343544  18965.16       418.2293 18557.22       
626.2933 19293.48       561.8687 297.1151 5.020813 303.0003 4.416852 -5.885162 
6.687088 
1 1 1 2   13  11 o 75.49400 1.767250  1197.135       55.98934 1156.271       
79.14632 1238.070       79.21548 74.20362 2.540544 76.78439 2.457300 -2.580765 
3.534499 
1 1 1 2   13  12 o 467.6520 4.121738  45963.59       783.6694 45852.35       
990.9907 46149.27       1280.333 467.0134 5.054304 468.2906 6.512213 -1.277191 
8.243476 
1 1 1 2   13  13 o 299.8622 4.540506  18934.11       567.3525 18830.30       
854.9725 19015.79       758.3964 299.0803 6.809032 300.6440 6.008482 -1.563721 
9.081013 
1 1 1 2   13  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   13  15 o 371.7224 3.185541  29013.66       491.5068 29262.54       
755.5346 28831.05       647.1703 373.0650 4.823819 370.3799 4.161906 2.685120 
6.371082 
1 1 1 2   13  16 o 85.65593 2.275385  1538.033       81.13091 1566.379       
123.5421 1516.538       107.5798 86.34429 3.408022 84.96757 3.015773 1.376724 
4.550770 
1 1 1 2   13  17 o 148.9117 1.988324  4651.360       117.5854 4678.384       
202.5861 4637.631       144.3977 149.2212 3.233703 148.6021 2.314496 0.6191559 
3.976648 
1 1 1 2   13  18 o 152.8463 2.166639  4909.022       138.9324 4665.854       
195.4306 5157.484       197.5465 149.0164 3.123774 156.6763 3.003221 -7.659821 
4.333278 
1 1 1 2   13  19 o 206.0882 2.240584  8918.939       193.7773 8689.075       
269.2214 9166.040       279.1323 203.3362 3.153667 208.8402 3.183589 -5.503998 
4.481167 
1 1 1 2   13  20 o 199.1982 2.657014  8304.539       215.9862 8518.771       
351.3222 8174.372       273.8516 201.2100 4.158887 197.1865 3.307952 4.023514 
5.314028 
1 1 1 2   13  21 o 260.1598 4.086352  14301.18       442.8608 14169.24       
667.5798 14404.88       591.8380 258.9945 6.139509 261.3250 5.394397 -2.330475 
8.172705 
1 1 1 2   13  22 o 73.74216 2.003973  1145.317       61.93456 1091.932       
88.77326 1195.945       86.45030 72.06075 2.934299 75.42356 2.730113 -3.362808 
4.007946 
1 1 1 2   13  23 o 80.75606 2.149757  1372.270       72.82165 1298.796       
102.4777 1447.218       103.5007 78.56810 3.106734 82.94402 2.972209 -4.375916 
4.299514 
1 1 1 2   13  24 o 50.96857 2.486122  546.8306       53.17657 525.0749       
74.31902 569.6532       76.11937 49.92897 3.545426 52.00817 3.486139 -2.079197 
4.972244 
1 1 1 2   13  25 o 171.1051 2.641785  6155.250       189.0217 6318.857       
281.6587 6021.187       254.9644 173.1447 3.874674 169.0656 3.592075 4.079086 
5.283569 
1 1 1 2   13  26 f 91.72719 1.984794  1772.897       76.24387 1723.032       
110.9009 1817.590       104.9918 90.49414 2.919010 92.96024 2.690168 -2.466095 
3.969587 
1 1 1 2   13  27 o 167.9539 2.764077  5922.036       194.2361 5650.522       
261.9447 6253.680       289.5005 163.7149 3.811030 172.1928 4.004566 -8.477905 
5.528155 
1 1 1 2   13  28 o 134.1657 2.288381  3792.848       128.8795 3884.355       
183.0552 3702.909       181.4813 135.7741 3.211339 132.5573 3.260990 3.216827 
4.576762 
1 1 1 2   13  29 o 24.25560 5.234417  127.3509       58.15935 131.4772       
83.30859 123.4279       81.23026 24.59428 7.437859 23.91693 7.367141 0.6773491 
10.46883 
1 1 1 2   13  30 o 167.1117 2.291349  5888.553       160.6298 5588.847       
222.6533 6213.843       231.9621 162.6780 3.260028 171.5454 3.220766 -8.867386 
4.582697 
1 1 1 2   13  31 o 84.30473 2.228996  1501.199       78.86449 1555.341       
113.1419 1450.035       109.9875 85.78413 3.141503 82.82533 3.163014 2.958801 
4.457993 
1 1 1 2   13  32 o 91.18908 3.159921  1763.354       120.0846 1876.875       
183.3174 1678.026       158.9317 93.67277 4.661347 88.70539 4.267580 4.967377 
6.319841 
1 1 1 2   13  33 o 39.13692 5.150125  331.6115       81.61660 430.6665       
131.4614 269.4853       104.1112 44.08044 7.103517 34.19341 7.458900 9.887024 
10.30025 
1 1 1 2   13  34 o 71.00266 3.554205  1070.425       104.6604 1264.120       
164.3082 938.1782       135.7668 76.23493 5.133651 65.77037 4.916820 10.46456 
7.108409 
1 1 1 2   13  35 o 64.82877 3.535048  918.9329       96.04824 989.9689       
137.1436 850.5493       134.5588 67.36435 4.849159 62.29318 5.145085 5.071167 
7.070095 
1 1 1 2   13  36 o 32.45912 6.131617  268.9373       87.72917 193.9431       
130.3606 331.0173       118.6063 27.98828 9.394854 36.92995 7.881855 -8.941668 
12.26323 
1 1 1 2   13  37 o 40.31043 5.363134  380.7078       87.58335 548.0508       
135.2528 259.8639       114.9357 48.63103 6.624513 31.98983 8.436152 16.64120 
10.72627 
1 1 1 2   13  38 o 27.60622 5.676719  202.9086       82.94012 38.12991       
131.7506 311.0779       106.7466 19.83759 8.589539 35.37485 7.424311 -15.53726 
11.35344 
1 1 1 2   13  39 o 28.30835 6.022936  208.4107       88.34978 72.94347       
120.6179 365.2275       129.7749 20.08842 8.439019 36.52829 8.595696 -16.43988 
12.04587 
1 1 1 2   14  0  o 49.56239 1.697414  516.5857       35.21047 505.3912       
51.55742 526.3705       48.20201 49.05769 2.503255 50.06708 2.293158 -1.009388 
3.394828 
1 1 1 2   14  1  o 309.4089 1.797220  20170.86       220.9163 19895.79       
378.4781 20313.01       272.0738 307.7843 2.928973 311.0335 2.083534 -3.249207 
3.594440 
1 1 1 2   14  2  o 69.29785 1.477222  1001.503       42.80360 935.2579       
57.45510 1084.128       64.16627 66.74035 2.050507 71.85535 2.127006 -5.114998 
2.954443 
1 1 1 2   14  3  o 322.2460 2.834927  21695.79       332.4295 21573.83       
383.5044 22064.38       666.6985 320.5078 2.850052 323.9843 4.901474 -3.476471 
5.669854 
1 1 1 2   14  4  o 274.7772 2.250227  15829.08       258.9768 15456.71       
352.6015 16265.23       381.6135 271.2791 3.095914 278.2752 3.266407 -6.996124 
4.500455 
1 1 1 2   14  5  o 114.3446 1.436745  2695.740       65.10546 2893.454       
114.3646 2600.944       79.18987 117.3864 2.320570 111.3027 1.694669 6.083694 
2.873490 
1 1 1 2   14  6  o 64.66013 1.656999  865.8857       44.66912 769.3422       
59.18496 993.6686       68.09039 60.52976 2.328968 68.79048 2.357646 -8.260719 
3.313998 
1 1 1 2   14  7  o 448.7065 4.093800  42260.39       770.4032 40431.64       
1060.800 44301.48       1120.695 438.4587 5.762700 458.9544 5.816193 -20.49570 
8.187600 
1 1 1 2   14  8  o 165.2410 1.800775  5731.623       124.8638 5668.262       
173.4501 5799.778       179.8943 164.2942 2.514626 166.1878 2.578335 -1.893555 
3.601549 
1 1 1 2   14  9  o 90.73383 1.625867  1726.453       61.87366 1838.020       
89.14189 1622.730       85.95049 93.55915 2.269429 87.90849 2.328834 5.650658 
3.251735 
1 1 1 2   14  10 f 271.4367 2.761363  15481.77       308.2078 15471.91       
487.7618 15488.32       397.6542 271.3402 4.281684 271.5331 3.488220 
-0.1928711     5.522726 
1 1 1 2   14  11 o 642.1681 5.972332  86977.66       1597.442 87262.65       
2131.498 86612.48       2412.815 643.5438 7.889109 640.7924 8.968665 2.751404 
11.94466 
1 1 1 2   14  12 o 428.1456 2.768716  38392.89       495.5539 37259.27       
666.4992 39794.33       741.0524 421.1156 3.769809 435.1757 4.056069 -14.06012 
5.537433 
1 1 1 2   14  13 o 202.3263 2.999058  8516.395       249.2375 9011.693       
400.8284 8204.171       318.2413 207.0527 4.611036 197.5999 3.836109 9.452805 
5.998115 
1 1 1 2   14  14 o 116.0467 3.339954  2830.252       159.9939 2836.700       
250.3592 2825.801       208.0115 116.1423 5.134451 115.9511 4.273005 0.1912079 
6.679907 
1 1 1 2   14  15 o 368.2531 4.209272  28141.90       563.0538 29342.16       
1138.778 27753.54       647.7737 373.1400 7.269231 363.3661 4.246196 9.773926 
8.418545 
1 1 1 2   14  16 o 283.2076 3.220938  16794.63       376.2718 17239.84       
593.4980 16495.41       486.5533 286.2905 4.937799 280.1248 4.137137 6.165710 
6.441876 
1 1 1 2   14  17 o 147.0405 2.470992  4444.293       145.1902 4863.128       
251.6472 4235.301       177.7608 152.0972 3.940869 141.9838 2.982074 10.11337 
4.941985 
1 1 1 2   14  18 o 100.9984 1.841068  2146.666       77.78577 2093.833       
114.1720 2192.435       106.2646 99.83314 2.723993 102.1637 2.477495 -2.330574 
3.682135 
1 1 1 2   14  19 o 115.2786 1.868928  2793.926       90.39164 2715.408       
128.9449 2869.793       126.7495 113.6828 2.701659 116.8744 2.583139 -3.191612 
3.737856 
1 1 1 2   14  20 o 191.2807 1.903795  7691.304       148.3559 7678.584       
240.8070 7699.085       188.3441 191.1282 3.000997 191.4333 2.343451 
-0.3050842     3.807590 
1 1 1 2   14  21 o 24.04138 4.413816  123.5419       45.07435 157.1577       
68.45304 97.80942       59.89103 26.74068 6.210851 21.34207 6.273152 5.398617 
8.827633 
1 1 1 2   14  22 o 50.84789 2.730063  536.5187       57.85160 626.5587       
88.05660 468.1422       76.73579 54.54716 3.845128 47.14862 3.876591 7.398544 
5.460125 
1 1 1 2   14  23 o 47.43894 2.883156  470.8086       57.20576 521.3148       
85.36419 429.6379       77.07211 49.73042 4.088601 45.14746 4.066165 4.582962 
5.766312 
1 1 1 2   14  24 o 148.4130 2.207299  4631.484       137.4506 4416.634       
191.2970 4860.786       197.6264 144.8553 3.145536 151.9707 3.097464 -7.115341 
4.414599 
1 1 1 2   14  25 o 60.60149 2.508374  770.2346       63.62416 691.3191       
87.12778 860.3937       93.12791 57.28566 3.622695 63.91730 3.470423 -6.631641 
5.016747 
1 1 1 2   14  26 o 126.8519 2.204398  3386.542       117.2806 3185.081       
164.4993 3594.808       167.2548 123.0080 3.185310 130.6958 3.048161 -7.687805 
4.408797 
1 1 1 2   14  27 f 93.32867 2.219893  1835.323       86.87609 1867.011       
120.5669 1801.101       125.2920 94.17510 3.049390 92.48223 3.226904 1.692871 
4.439785 
1 1 1 2   14  28 o 90.36627 2.026108  1720.928       76.75972 1612.692       
108.3951 1829.804       108.7149 87.50536 2.950503 93.22718 2.777586 -5.721825 
4.052216 
1 1 1 2   14  29 o 70.02126 2.275952  1031.328       66.40348 1216.639       
96.81823 866.7310       91.24665 75.96242 3.035844 64.08011 3.391679 11.88231 
4.551904 
1 1 1 2   14  30 o 135.5496 2.616888  3871.309       148.5715 3652.343       
201.8188 4130.369       219.5190 131.3950 3.658507 139.7042 3.742690 -8.309174 
5.233775 
1 1 1 2   14  31 o 116.0398 2.044250  2832.822       98.94062 2756.026       
131.7999 2931.976       149.7610 114.2777 2.747101 117.8019 3.028080 -3.524208 
4.088500 
1 1 1 2   14  32 o 51.99667 4.060242  593.4464       86.64520 458.5281       
123.5778 723.9041       121.5178 45.90621 6.411948 58.08714 4.982887 -12.18092 
8.120483 
1 1 1 2   14  33 o 150.1217 3.339549  4828.526       206.9856 4962.294       
325.2760 4737.502       268.3212 151.5470 5.112411 148.6963 4.298092 2.850677 
6.679097 
1 1 1 2   14  34 o 80.53206 3.367811  1377.336       112.5514 1584.954       
176.3064 1234.523       146.2245 85.47809 4.912861 75.58604 4.607863 9.892052 
6.735622 
1 1 1 2   14  35 o 113.2437 3.447504  2788.085       162.2703 2878.792       
249.1163 2721.233       213.8657 114.5579 5.179623 111.9295 4.551115 2.628448 
6.895008 
1 1 1 2   14  36 o 41.23952 5.432674  433.7347       87.24155 286.5213       
136.7770 534.7051       113.2756 33.47680 9.366911 49.00224 5.506068 -15.52544 
10.86535 
1 1 1 2   14  37 o 19.05695 5.696106  36.07097       79.76700 -25.06043      
129.7273 73.23423       101.1477 17.91244 8.095157 20.20147 8.015668 -2.289028 
11.39221 
1 1 1 2   14  38 o 14.78926 4.947314  -97.01350      71.72634 -9.335072      
131.8314 -133.8816      85.48663 18.24273 8.206945 11.33579 5.527178 6.906942 
9.894628 
1 1 1 2   14  39 o 20.78156 5.795124  29.61557       77.44804 229.3199       
138.0686 -62.07140      93.55241 27.90736 9.658503 13.65576 6.406808 14.25161 
11.59025 
1 1 1 2   15  0  o 216.6923 1.833608  9858.990       166.8126 0.000000       
0.000000 9858.990       166.8126 ?        ?        216.6923 1.833608 ? ? 
1 1 1 2   15  1  o 77.93211 1.669998  1283.370       54.22946 1195.159       
80.05260 1358.181       73.72201 75.43971 2.527531 80.42452 2.183382 -4.984810 
3.339995 
1 1 1 2   15  2  o 581.7490 3.541155  71132.70       825.6998 71083.38       
1025.007 71223.86       1393.538 581.5965 4.197842 581.9014 5.704143 
-0.3049316     7.082310 
1 1 1 2   15  3  o 368.2491 3.271474  28444.01       496.5786 28194.10       
642.4482 28814.91       782.6664 366.2885 4.177688 370.2098 5.035583 -3.921387 
6.542948 
1 1 1 2   15  4  o 262.9408 2.457319  14328.91       257.7201 13919.33       
316.0782 15141.31       445.1562 257.4380 2.924442 268.4436 3.949848 -11.00562 
4.914638 
1 1 1 2   15  5  o 259.4208 2.194804  13875.29       187.7410 13719.19       
208.1003 14558.04       435.2006 255.6176 1.939112 263.2240 3.938084 -7.606384 
4.389609 
1 1 1 2   15  6  o 437.6146 2.577944  40247.32       473.3474 40714.96       
660.2841 39752.91       678.9340 440.2376 3.572438 434.9916 3.717643 5.246002 
5.155889 
1 1 1 2   15  7  o 267.0697 3.104916  14682.52       316.7614 14269.18       
374.1365 15728.75       595.2420 260.6292 3.419228 273.5102 5.183714 -12.88098 
6.209832 
1 1 1 2   15  8  o 83.94351 1.715100  1479.733       60.39406 1561.067       
85.98365 1400.533       84.84787 86.22088 2.375333 81.66614 2.474685 4.554741 
3.430200 
1 1 1 2   15  9  o 143.5376 1.746913  4328.389       105.2170 4174.947       
149.0330 4480.873       148.5668 140.9993 2.517600 146.0760 2.422501 -5.076752 
3.493826 
1 1 1 2   15  10 o 146.8640 1.558315  4488.742       93.45970 4699.551       
152.4433 4361.788       118.3001 149.5974 2.427199 144.1306 1.955015 5.466858 
3.116629 
1 1 1 2   15  11 o 240.6918 2.837529  12205.35       285.6951 12618.46       
391.8619 11736.60       417.4154 245.0630 3.808697 236.3206 4.207150 8.742371 
5.675058 
1 1 1 2   15  12 o 148.4927 2.489022  4606.772       153.0218 4783.440       
238.9809 4484.005       199.2169 150.8832 3.772621 146.1022 3.247808 4.781006 
4.978045 
1 1 1 2   15  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   15  14 o 228.5094 2.946339  10888.84       272.2180 11293.26       
454.2541 10662.23       340.0380 231.7561 4.668622 225.2627 3.595499 6.493347 
5.892678 
1 1 1 2   15  15 o 277.7332 3.208732  16261.41       366.8915 16002.08       
576.1902 16438.25       475.8232 275.8186 4.975805 279.6476 4.052804 -3.829010 
6.417464 
1 1 1 2   15  16 o 56.32845 2.385120  659.2142       55.50166 707.5087       
87.88418 627.1743       71.58272 58.02101 3.607833 54.63589 3.120695 3.385124 
4.770241 
1 1 1 2   15  17 o 151.0404 2.595746  4705.489       159.1211 5139.667       
265.9579 4463.422       198.5846 156.3423 4.051888 145.7385 3.245580 10.60379 
5.191492 
1 1 1 2   15  18 o 87.95094 2.006375  1607.779       72.92857 1721.714       
115.2736 1531.742       94.17031 90.51493 3.033408 85.38696 2.626900 5.127968 
4.012751 
1 1 1 2   15  19 o 152.2564 2.187165  4796.406       134.9550 5159.241       
225.7158 4594.533       168.3628 156.6444 3.432165 147.8684 2.712013 8.775986 
4.374331 
1 1 1 2   15  20 o 144.7825 2.585538  4381.420       154.3586 4558.072       
244.4428 4264.261       199.0699 147.1670 3.956286 142.3979 3.329837 4.769104 
5.171075 
1 1 1 2   15  21 o 27.02888 4.256889  158.6555       47.05809 188.0971       
70.13056 134.5427       63.46757 29.31949 5.904654 24.73826 6.133473 4.581228 
8.513779 
1 1 1 2   15  22 o 94.55791 2.292479  1830.913       89.24966 2138.202       
144.4408 1641.133       113.5119 100.7910 3.413414 88.32477 3.061117 12.46627 
4.584957 
1 1 1 2   15  23 o 198.1362 2.489214  8216.268       194.7005 8418.022       
340.9262 8118.617       237.1835 199.8239 4.063815 196.4485 2.875787 3.375381 
4.978428 
1 1 1 2   15  24 o 200.8749 2.353321  8471.685       196.8631 8684.243       
299.6163 8310.206       261.1448 203.0506 3.514652 198.6993 3.130446 4.351288 
4.706641 
1 1 1 2   15  25 o 97.27381 2.159386  1981.490       87.96806 1841.907       
119.5237 2146.459       129.9392 93.55533 3.043032 100.9923 3.064594 -7.436966 
4.318771 
1 1 1 2   15  26 o 115.0568 2.156662  2784.619       104.1148 2826.797       
150.3038 2745.713       144.3572 115.8901 3.089190 114.2236 3.010259 1.666550 
4.313323 
1 1 1 2   15  27 o 40.43923 3.600186  348.1794       60.42554 286.4036       
84.98316 411.3454       85.93403 36.76148 5.506314 44.11699 4.639598 -7.355507 
7.200373 
1 1 1 2   15  28 o 75.47610 2.308561  1200.696       73.13567 1164.890       
102.7665 1237.441       104.1054 74.33339 3.292976 76.61883 3.236376 -2.285439 
4.617123 
1 1 1 2   15  29 o 44.04035 3.437038  412.5407       63.37675 376.7608       
89.42046 448.6552       89.83753 42.09737 5.059446 45.98332 4.653487 -3.885948 
6.874077 
1 1 1 2   15  30 o 107.5800 1.906163  2430.879       85.92577 2288.115       
117.1958 2596.831       126.3552 104.1800 2.679471 110.9800 2.711875 -6.799988 
3.812326 
1 1 1 2   15  31 o 33.56139 5.481097  253.8430       75.74705 215.8550       
103.0881 298.4200       111.6710 30.79207 7.928419 36.33071 7.570328 -5.538639 
10.96219 
1 1 1 2   15  32 o 53.14331 3.752548  590.3812       81.65040 811.2797       
126.7139 433.5396       106.7723 61.49511 4.908001 44.79150 5.677850 16.70361 
7.505095 
1 1 1 2   15  33 f 20.71432 5.995096  40.69769       83.71658 87.42421       
124.4662 2.095015       113.1302 22.96733 8.952496 18.46131 7.976060 4.506029 
11.99019 
1 1 1 2   15  34 o 84.40095 3.013866  1496.378       105.2018 1754.476       
167.3608 1327.777       135.2670 90.19264 4.419812 78.60925 4.098635 11.58339 
6.027731 
1 1 1 2   15  35 o 69.89977 3.132965  1045.045       88.68547 1116.266       
148.0876 1005.218       110.7399 71.45866 4.936112 68.34086 3.859620 3.117805 
6.265929 
1 1 1 2   15  36 o 28.47701 6.169965  178.4933       82.04028 305.8120       
135.2669 104.4061       103.1852 34.69133 9.153473 22.26270 8.275737 12.42864 
12.33993 
1 1 1 2   15  37 o 28.19018 5.415835  117.1259       76.82401 418.0790       
138.0912 -17.76961      92.45181 40.89740 8.331468 15.48296 6.921831 25.41443 
10.83167 
1 1 1 2   15  38 o 22.41780 6.069334  97.02126       76.66352 176.1769       
133.8276 58.35763       93.53107 26.06732 9.459809 18.76828 7.606527 7.299034 
12.13867 
1 1 1 2   15  39 o 21.85662 5.988845  116.5616       77.76492 86.22285       
136.3322 131.1935       94.67804 21.15107 8.932706 22.56217 7.979463 -1.411106 
11.97769 
1 1 1 2   16  0  o 217.8267 2.472542  10098.93       184.1340 9746.978       
398.3190 10194.58       207.6539 215.3219 4.406197 220.3314 2.244836 -5.009567 
4.945085 
1 1 1 2   16  1  o 253.2667 2.835184  13502.94       300.2986 13207.99       
441.9464 13755.93       409.3025 250.6788 4.199262 255.8545 3.810415 -5.175674 
5.670367 
1 1 1 2   16  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   16  3  o 105.5759 1.793829  2314.125       77.35216 2230.767       
97.78346 2453.513       126.4453 103.0690 2.259739 108.0828 2.786551 -5.013779 
3.587657 
1 1 1 2   16  4  o 426.9068 3.538680  37554.20       499.0313 37091.33       
553.3531 39570.53       1154.930 420.2149 3.136548 433.5987 6.344375 -13.38382 
7.077360 
1 1 1 2   16  5  o 150.7542 1.494729  4565.302       82.06835 4371.493       
93.93292 5190.415       168.6979 144.2968 1.550538 157.2116 2.555912 -12.91487 
2.989457 
1 1 1 2   16  6  o 455.1252 2.962190  43300.55       557.9886 42211.06       
726.0847 44872.11       872.0453 448.2088 3.858583 462.0417 4.495510 -13.83282 
5.924380 
1 1 1 2   16  7  o 365.6801 3.708512  28197.44       561.9063 27629.37       
862.9442 28615.59       740.3745 362.4190 5.671433 368.9412 4.779862 -6.522217 
7.417024 
1 1 1 2   16  8  o 182.4571 2.289246  7001.646       175.1069 6792.071       
252.1240 7196.942       243.3843 179.8122 3.339766 185.1020 3.131861 -5.289764 
4.578492 
1 1 1 2   16  9  o 134.5531 1.742481  3798.821       97.76258 3828.799       
147.3706 3775.260       130.6491 135.0237 2.599692 134.0824 2.320896 0.9412994 
3.484962 
1 1 1 2   16  10 o 164.9581 1.677103  5703.992       112.4672 5673.395       
142.0891 5755.318       184.0301 164.3746 2.058955 165.5417 2.647906 -1.167023 
3.354207 
1 1 1 2   16  11 o 222.5083 2.194520  10374.30       200.7818 10526.17       
318.9623 10274.62       258.4019 223.8392 3.394098 221.1775 2.782761 2.661682 
4.389039 
1 1 1 2   16  12 o 284.0779 3.353662  16911.09       359.9690 17099.89       
679.5278 16837.45       424.4098 285.0750 5.677658 283.0809 3.571050 1.994110 
6.707324 
1 1 1 2   16  13 o 299.7581 5.233888  18456.96       605.3813 20173.29       
1122.414 17752.83       718.9138 309.1002 8.649182 290.4161 5.896268 18.68405 
10.46778 
1 1 1 2   16  14 o 153.2884 2.042384  4943.149       131.2128 4782.665       
189.2637 5091.667       182.0710 150.8856 2.987726 155.6912 2.785467 -4.805603 
4.084768 
1 1 1 2   16  15 o 86.86468 1.891785  1586.049       68.25420 1577.514       
104.2923 1592.442       90.27087 86.65591 2.866653 87.07344 2.469352 
-0.4175262     3.783569 
1 1 1 2   16  16 o 255.4340 3.753058  13698.28       397.0792 13963.55       
616.6369 13510.36       519.0082 257.4839 5.704277 253.3842 4.878831 4.099701 
7.506115 
1 1 1 2   16  17 o 203.5240 2.323296  8639.926       197.1590 8178.310       
261.2770 9250.384       300.4613 197.2684 3.154748 209.7797 3.411506 -12.51125 
4.646592 
1 1 1 2   16  18 o 113.6040 2.018302  2699.855       95.53613 2808.309       
145.4718 2617.604       126.6851 115.5947 2.997518 111.6133 2.703527 3.981407 
4.036604 
1 1 1 2   16  19 o 169.5779 2.735238  6044.929       193.0486 6092.853       
293.4612 6008.367       256.3169 170.1448 4.108214 169.0110 3.612295 1.133743 
5.470476 
1 1 1 2   16  20 o 176.8905 2.344724  6349.388       154.1278 7081.868       
305.7486 6099.838       178.4618 183.4124 3.970606 170.3685 2.495037 13.04390 
4.689448 
1 1 1 2   16  21 o 94.38995 2.065098  1872.655       81.68026 1718.496       
113.9653 2035.484       117.1262 90.39277 3.003032 98.38715 2.835547 -7.994377 
4.130197 
1 1 1 2   16  22 o 135.4480 1.736629  3825.520       95.47577 3977.969       
157.9300 3737.712       119.8584 137.5333 2.735129 133.3627 2.140697 4.170624 
3.473257 
1 1 1 2   16  23 o 173.0614 2.379914  6295.686       170.3617 6368.092       
265.3629 6244.918       222.1987 173.8624 3.635430 172.2604 3.072396 1.601990 
4.759829 
1 1 1 2   16  24 o 238.8320 3.184860  12043.18       310.9349 12026.56       
500.0998 12053.66       396.9960 238.5470 4.993485 239.1170 3.954547 
-0.5700226     6.369720 
1 1 1 2   16  25 o 53.22926 2.922940  588.7335       64.79454 701.3627       
98.22673 501.9737       86.21117 57.67440 4.056651 48.78413 4.209263 8.890278 
5.845880 
1 1 1 2   16  26 o 156.1855 2.319360  5107.070       151.4313 4838.124       
203.0810 5443.890       227.2665 151.5936 3.190873 160.7775 3.366907 -9.183960 
4.638721 
1 1 1 2   16  27 o 51.22359 2.913240  554.5850       62.33646 485.1701       
87.17272 627.2260       89.17551 47.92410 4.332591 54.52309 3.895706 -6.598988 
5.826480 
1 1 1 2   16  28 o 89.01859 2.275342  1672.187       84.92548 1704.279       
117.8279 1637.492       122.5147 89.91968 3.121148 88.11750 3.311671 1.802177 
4.550684 
1 1 1 2   16  29 o 116.9988 1.908787  2844.251       92.96317 2589.356       
122.1236 3195.465       143.3529 110.8648 2.623778 123.1329 2.773023 -12.26807 
3.817574 
1 1 1 2   16  30 o 81.50941 2.384452  1403.157       81.55748 1458.883       
117.3874 1351.157       113.3956 83.07343 3.365738 79.94539 3.378499 3.128044 
4.768904 
1 1 1 2   16  31 o 90.41780 2.827354  1604.041       99.74287 2105.415       
187.0056 1404.701       117.9157 99.39779 4.481248 81.43782 3.448787 17.95997 
5.654708 
1 1 1 2   16  32 o 73.77463 3.262623  1165.985       100.4388 1160.770       
150.3087 1170.192       135.0045 73.54325 4.868133 74.00601 4.345125 
-0.4627609     6.525246 
1 1 1 2   16  33 o 57.94035 3.537961  741.6494       83.79629 571.8652       
121.4491 895.9175       115.7668 51.24068 5.645473 64.64001 4.265830 -13.39934 
7.075922 
1 1 1 2   16  34 o 29.03470 6.152963  200.1251       79.71668 201.5927       
127.3215 199.1789       102.2352 29.09068 9.268640 28.97872 8.094946 0.1119595 
12.30593 
1 1 1 2   16  35 o 21.99974 5.588604  99.36168       70.29271 21.85158       
112.6200 148.8285       89.96914 18.86463 8.048703 25.13485 7.755538 -6.270224 
11.17721 
1 1 1 2   16  36 o 66.54256 3.416326  896.1736       88.25098 1187.794       
167.0766 783.3261       103.9328 73.03451 5.448897 60.05062 4.122458 12.98388 
6.832653 
1 1 1 2   16  37 o 23.99430 5.838631  132.8376       67.16389 154.7512       
122.2111 123.3549       80.39288 25.24620 9.051921 22.74239 7.377071 2.503809 
11.67726 
1 1 1 2   16  38 o 27.73279 6.047873  208.8792       78.60322 152.5429       
138.7460 235.5065       95.38719 24.86562 9.507183 30.59995 7.478005 -5.734329 
12.09575 
1 1 1 2   16  39 o 17.65310 5.543666  9.396791       76.69672 63.18112       
135.3281 -16.05348      93.09070 20.21489 8.728486 15.09131 6.836848 5.123584 
11.08733 
1 1 1 2   17  0  o 265.6641 3.283832  14816.50       353.7257 14954.54       
582.5270 14735.88       445.2018 266.5747 5.204969 264.7535 4.005311 1.821136 
6.567665 
1 1 1 2   17  1  o 201.1922 2.526485  8490.088       198.6395 8551.252       
353.2534 8461.806       240.2151 201.6808 4.171985 200.7035 2.850799 0.9773560 
5.052971 
1 1 1 2   17  2  o 273.3583 2.557320  15687.43       293.3484 15145.43       
407.5335 16270.22       422.5905 268.4632 3.615761 278.2534 3.617431 -9.790222 
5.114639 
1 1 1 2   17  3  o 309.1868 3.537667  20173.87       456.7993 19362.51       
673.6453 20864.52       621.5216 303.3771 5.288952 314.9965 4.699716 -11.61942 
7.075334 
1 1 1 2   17  4  o 58.50788 2.906730  719.0420       71.39997 719.0420       
71.39997 0.000000       0.000000 58.50788 2.906730 ?        ?        ? ? 
1 1 1 2   17  5  o 156.3971 1.909392  5121.928       118.1883 5183.515       
205.3513 5091.423       144.5247 157.0841 3.113768 155.7101 2.210785 1.374039 
3.818785 
1 1 1 2   17  6  o 131.1236 1.600217  3601.602       87.03924 3553.981       
114.2179 3667.556       134.4187 130.0960 2.091180 132.1512 2.422756 -2.055191 
3.200434 
1 1 1 2   17  7  o 128.3857 1.758900  3464.908       94.05346 3488.369       
125.5826 3434.938       141.9373 128.8848 2.320859 127.8865 2.643582 0.9983368 
3.517800 
1 1 1 2   17  8  o 88.26233 1.832453  1632.783       67.81064 1575.169       
92.99014 1698.215       99.09849 86.60342 2.557543 89.92123 2.624979 -3.317802 
3.664907 
1 1 1 2   17  9  o 136.9767 1.749221  3928.054       99.36177 4017.928       
153.7709 3863.630       130.1918 138.3131 2.648085 135.6403 2.286208 2.672775 
3.498443 
1 1 1 2   17  10 o 214.0321 2.445716  9641.295       216.1159 9715.845       
281.7431 9534.726       336.8564 215.0572 3.120473 213.0069 3.766796 2.050232 
4.891432 
1 1 1 2   17  11 o 104.4278 2.232477  2147.091       89.34721 2645.537       
171.7155 1962.047       104.6256 112.2026 3.645252 96.65302 2.578361 15.54960 
4.464953 
1 1 1 2   17  12 o 278.6934 4.114431  16327.41       481.4102 0.000000       
0.000000 16327.41       481.4102 ?        ?        278.6934 4.114431 ? ? 
1 1 1 2   17  13 f 323.7262 3.758594  22048.71       510.0747 22160.16       
742.7676 21949.25       701.6926 324.4789 5.452398 322.9735 5.174890 1.505402 
7.517189 
1 1 1 2   17  14 o 101.4498 1.919392  2167.397       81.31429 2105.809       
120.4538 2218.962       110.2182 100.1182 2.865685 102.7813 2.554233 -2.663040 
3.838783 
1 1 1 2   17  15 o 244.0916 3.162873  12536.26       321.0495 12513.32       
488.6051 12553.70       425.8931 243.8594 4.772431 244.3239 4.151984 
-0.4645538     6.325747 
1 1 1 2   17  16 o 205.3277 2.474823  8819.148       208.8651 9073.382       
333.2285 8654.637       268.0554 207.7248 3.820982 202.9307 3.146283 4.794067 
4.949646 
1 1 1 2   17  17 o 69.21751 2.004229  998.6113       57.98795 1133.224       
86.31084 887.8569       78.28941 73.43565 2.799494 64.99938 2.868896 8.436272 
4.008458 
1 1 1 2   17  18 o 106.5807 2.157733  2390.314       96.01896 2364.497       
143.1066 2411.453       129.4942 106.0485 3.214225 107.1128 2.879585 -1.064377 
4.315466 
1 1 1 2   17  19 o 128.3455 2.187867  3474.997       117.4298 3305.329       
171.1978 3625.760       161.3786 125.3658 3.252671 131.3252 2.926975 -5.959396 
4.375734 
1 1 1 2   17  20 o 65.91288 2.264394  894.3912       61.86943 1039.859       
97.42024 796.0620       80.09526 70.30448 3.300557 61.52128 3.101006 8.783203 
4.528787 
1 1 1 2   17  21 o 251.5274 3.161614  13343.05       328.1875 13340.90       
513.5394 13344.53       426.6892 251.4026 4.865474 251.6522 4.038610 
-0.2496643     6.323228 
1 1 1 2   17  22 o 83.24089 2.235974  1458.035       77.92113 1462.314       
114.6585 1454.363       106.2190 83.34634 3.276732 83.13544 3.043246 0.2109070 
4.471948 
1 1 1 2   17  23 o 120.2068 2.358274  3000.683       116.0469 3226.417       
189.0215 2864.132       147.0145 123.7503 3.638196 116.6633 3.001559 7.086967 
4.716548 
1 1 1 2   17  24 o 109.7181 2.160347  2532.448       98.49145 2539.733       
150.5466 2526.997       130.2281 109.8364 3.264717 109.5997 2.830196 0.2367172 
4.320693 
1 1 1 2   17  25 o 92.90370 2.317735  1822.714       90.09717 1727.629       
130.6573 1908.918       124.4057 90.57305 3.436022 95.23434 3.111485 -4.661293 
4.635470 
1 1 1 2   17  26 o 60.70348 2.687551  763.4935       67.78267 936.5295       
103.1769 632.1078       89.90591 66.65797 3.686816 54.74900 3.911408 11.90897 
5.375103 
1 1 1 2   17  27 o 114.8096 2.163471  2769.877       104.0962 2673.075       
142.1778 2881.723       152.8268 112.6594 3.005976 116.9598 3.112319 -4.300423 
4.326941 
1 1 1 2   17  28 o 90.10284 2.095422  1710.033       79.19564 1689.329       
109.4278 1732.804       114.7615 89.53674 2.911037 90.66896 3.014802 -1.132225 
4.190843 
1 1 1 2   17  29 o 98.40829 2.077011  2022.457       85.38815 1823.782       
114.2754 2273.606       128.4836 92.99175 2.927046 103.8248 2.947593 -10.83307 
4.154022 
1 1 1 2   17  30 o 122.0612 1.969116  3137.457       100.5492 3076.982       
135.9908 3210.389       149.3411 120.7883 2.681672 123.3340 2.884148 -2.545715 
3.938232 
1 1 1 2   17  31 o 22.65487 5.563545  103.7830       67.88067 28.05017       
114.6622 144.6466       84.22610 19.88879 8.284060 25.42095 7.428761 -5.532160 
11.12709 
1 1 1 2   17  32 o 121.0399 2.949648  3010.926       133.6510 3391.740       
262.0948 2877.104       155.3695 125.5874 4.970881 116.4924 3.176796 9.095009 
5.899296 
1 1 1 2   17  33 o 40.11961 4.674428  334.7000       75.05145 428.7810       
132.6081 290.3623       91.03439 43.82730 7.206864 36.41191 5.955018 7.415386 
9.348857 
1 1 1 2   17  34 o 37.67765 5.062473  289.8313       75.73502 499.3523       
131.7055 186.3245       92.57090 47.25259 6.638947 28.10272 7.644535 19.14987 
10.12495 
1 1 1 2   17  35 o 57.05264 3.740559  698.0190       84.49287 775.8610       
149.2353 661.2946       102.5042 58.92635 6.032302 55.17894 4.424756 3.747410 
7.481119 
1 1 1 2   17  36 o 19.63871 5.773025  42.22374       74.16262 79.70429       
130.7237 24.43499       90.05837 22.04726 8.971756 17.23015 7.267657 4.817108 
11.54605 
1 1 1 2   17  37 o 94.62201 3.020921  1841.637       108.4304 2259.272       
211.1832 1692.124       126.3575 100.7076 4.994802 88.53645 3.399381 12.17113 
6.041841 
1 1 1 2   17  38 o 35.68214 5.275839  304.1725       71.56189 357.9796       
130.6891 281.1303       85.52286 36.98669 8.575920 34.37760 6.147479 2.609097 
10.55168 
1 1 1 2   17  39 f 29.08714 6.247564  236.0969       80.37781 254.2852       
138.8912 226.9382       98.55864 29.10901 9.697375 29.06527 7.879665 
0.4374313E-01  12.49513 
1 1 1 2   18  0  o 28.80179 2.550649  174.2931       30.81265 176.6582       
44.69432 172.1509       42.53702 28.98709 3.672558 28.61648 3.540559 0.3706112 
5.101298 
1 1 1 2   18  1  o 201.3895 2.669860  8518.983       225.1023 8427.004       
306.2823 8627.025       331.9503 200.2189 3.643660 202.5600 3.903376 -2.341110 
5.339719 
1 1 1 2   18  2  o 80.18623 1.651454  1351.883       55.46776 1373.142       
76.24288 1327.980       80.84586 80.85825 2.245929 79.51421 2.421777 1.344048 
3.302908 
1 1 1 2   18  3  o 184.8318 2.118316  7091.583       161.3770 6753.319       
207.0926 7614.550       257.4974 179.2995 2.751102 190.3640 3.221877 -11.06454 
4.236632 
1 1 1 2   18  4  o 212.3592 2.231896  9515.046       195.3980 9257.568       
304.6294 9695.032       254.6956 209.8890 3.457030 214.8294 2.823896 -4.940414 
4.463793 
1 1 1 2   18  5  o 133.9453 2.749748  3768.707       154.6319 0.000000       
0.000000 3768.707       154.6319 ?        ?        133.9453 2.749748 ? ? 
1 1 1 2   18  6  o 100.5733 1.936524  2124.903       81.34785 2126.804       
109.6524 2122.576       121.3162 100.6266 2.595531 100.5200 2.874668 0.1066818 
3.873048 
1 1 1 2   18  7  o 273.7018 2.558580  15819.64       282.0574 15469.07       
468.0584 16019.54       353.4400 271.2648 4.109866 276.1389 3.048661 -4.874115 
5.117160 
1 1 1 2   18  8  o 91.25444 1.711265  1747.426       64.47680 1740.621       
83.82097 1757.288       100.9053 91.04115 2.192986 91.46773 2.627647 
-0.4265747     3.422531 
1 1 1 2   18  9  o 211.2235 2.642389  9403.105       230.7973 9222.453       
357.0479 9532.766       302.4887 209.4528 4.060330 212.9943 3.382691 -3.541504 
5.284778 
1 1 1 2   18  10 o 236.0917 2.215631  11658.78       214.5782 11952.79       
344.0711 11471.65       274.4992 238.4955 3.436284 233.6878 2.797861 4.807709 
4.431261 
1 1 1 2   18  11 o 127.7765 2.106949  3449.619       109.2706 3352.604       
177.7821 3508.520       138.5253 126.3104 3.352509 129.2426 2.552963 -2.932129 
4.213898 
1 1 1 2   18  12 o 222.2870 7.571339  10430.63       706.5870 10430.63       
706.5870 0.000000       0.000000 222.2870 7.571339 ?        ?        ? ? 
1 1 1 2   18  13 o 133.6544 1.973615  3740.726       110.0199 3855.896       
166.4342 3651.340       146.6250 135.4702 2.926306 131.8385 2.649029 3.631683 
3.947230 
1 1 1 2   18  14 o 104.9949 1.933205  2294.713       83.61964 2423.802       
133.2253 2210.800       107.4125 107.4015 2.954592 102.5883 2.493894 4.813179 
3.866409 
1 1 1 2   18  15 f 184.7194 1.899333  7124.594       143.8960 7373.513       
231.3335 6967.500       183.7765 187.3183 2.941571 182.1205 2.403546 5.197845 
3.798667 
1 1 1 2   18  16 o 69.35643 2.194640  1006.764       63.63682 1056.516       
95.28072 966.6978       85.50323 70.89376 3.201239 67.81909 3.002975 3.074669 
4.389281 
1 1 1 2   18  17 f 250.2420 3.018683  13237.16       312.7639 12836.73       
480.1738 13532.24       412.1971 246.8788 4.632717 253.6051 3.871398 -6.726379 
6.037366 
1 1 1 2   18  18 o 166.5083 2.799793  5789.390       191.5939 6059.307       
306.9054 5617.021       245.2548 169.6207 4.309696 163.3959 3.575177 6.224869 
5.599586 
1 1 1 2   18  19 o 268.9329 3.178937  15239.66       336.9842 15254.92       
588.3971 15232.21       411.0795 268.8467 5.212989 269.0191 3.639685 
-0.1723633     6.357874 
1 1 1 2   18  20 o 51.32085 2.426854  553.5332       52.12477 564.5110       
77.16061 544.3183       70.69424 51.78343 3.549163 50.85827 3.310880 0.9251633 
4.853708 
1 1 1 2   18  21 f 105.5276 1.978734  2323.945       86.15353 2438.956       
136.4213 2247.645       111.1149 107.6652 3.018060 103.3899 2.559855 4.275337 
3.957467 
1 1 1 2   18  22 o 147.6663 2.296705  4598.317       142.1380 4394.229       
203.9564 4791.037       198.1944 144.4600 3.362877 150.8727 3.128973 -6.412750 
4.593410 
1 1 1 2   18  23 o 58.18081 2.376572  708.2563       57.67772 750.8712       
87.59966 675.6433       76.63314 59.70876 3.494503 56.65286 3.221928 3.055897 
4.753144 
1 1 1 2   18  24 o 60.98681 2.580377  770.0496       63.98626 1081.781       
97.37742 533.1761       84.88411 71.68559 3.235545 50.28803 4.020525 21.39755 
5.160754 
1 1 1 2   18  25 o 108.9798 2.002826  2484.893       90.57874 2587.656       
140.3166 2411.478       118.5999 110.8844 3.014115 107.0753 2.638251 3.809105 
4.005653 
1 1 1 2   18  26 o 148.9053 2.123015  4644.241       129.4898 4775.028       
208.6040 4562.253       165.1629 150.5571 3.300216 147.2534 2.671580 3.303680 
4.246030 
1 1 1 2   18  27 o 16.16845 4.697470  -21.24221      57.66555 73.14170       
83.84762 -105.9513      79.43405 20.44845 7.481209 11.88846 5.682993 8.559987 
9.394940 
1 1 1 2   18  28 o 130.7908 2.403524  3590.010       131.3279 3411.957       
175.5973 3816.021       197.8367 127.1554 3.289303 134.4262 3.505453 -7.270752 
4.807048 
1 1 1 2   18  29 o 77.55464 2.318364  1269.847       75.38936 1259.143       
103.8196 1281.787       109.6527 77.22006 3.202362 77.88921 3.353227 
-0.6691513     4.636728 
1 1 1 2   18  30 o 85.86023 2.770097  1453.583       90.13079 1824.797       
177.1085 1323.847       104.7028 92.57684 4.556781 79.14361 3.151110 13.43324 
5.540194 
1 1 1 2   18  31 o 71.00964 3.076800  1075.702       85.73579 1074.269       
150.6869 1076.388       104.2557 70.77502 5.071267 71.24427 3.485547 
-0.4692535     6.153599 
1 1 1 2   18  32 o 30.75090 5.715784  194.6381       70.66228 301.9520       
129.9884 149.6244       84.18777 35.86374 8.708001 25.63805 7.406176 10.22569 
11.43157 
1 1 1 2   18  33 o 72.24284 3.087498  1108.257       89.01424 1167.584       
153.1761 1078.006       109.3789 73.43131 4.968562 71.05436 3.666604 2.376953 
6.174997 
1 1 1 2   18  34 o 102.4390 2.881792  2129.173       112.2739 2573.478       
217.4560 1967.686       131.0992 108.8396 4.758887 96.03829 3.251446 12.80133 
5.763585 
1 1 1 2   18  35 o 40.68497 4.672388  390.6442       70.08351 351.1634       
125.8409 408.3954       84.38051 38.10658 8.108213 43.26337 4.645611 -5.156796 
9.344775 
1 1 1 2   18  36 o 85.43710 3.140822  1573.741       106.9917 1673.474       
184.5847 1523.279       131.2980 86.93066 5.057593 83.94356 3.725562 2.987099 
6.281645 
1 1 1 2   18  37 o 71.27383 3.489835  1157.359       97.75430 1047.265       
165.5529 1216.292       121.1242 67.81332 5.814907 74.73434 3.860395 -6.921021 
6.979670 
1 1 1 2   18  38 o 19.75175 5.758581  32.86013       72.99469 152.1442       
134.8618 -16.56425      86.80974 24.65878 9.389128 14.84472 6.670029 9.814062 
11.51716 
1 1 1 2   18  39 o 31.12554 5.694963  259.8718       71.42619 271.9981       
128.5956 254.4617       85.89406 30.45711 9.246955 31.79397 6.650128 -1.336859 
11.38993 
1 1 1 2   19  0  o 135.4697 2.331658  3897.854       130.1915 3633.091       
200.5051 4090.854       171.1882 131.4285 3.633765 139.5109 2.922717 -8.082352 
4.663317 
1 1 1 2   19  1  o 231.8491 2.760766  11320.96       268.0610 11094.40       
390.9355 11522.02       368.2701 229.6383 4.054915 234.0600 3.747661 -4.421661 
5.521531 
1 1 1 2   19  2  o 56.54884 1.851300  664.6509       43.66160 570.2662       
58.67677 781.7440       65.35539 52.09763 2.682683 61.00004 2.551951 -8.902409 
3.702599 
1 1 1 2   19  3  o 63.41084 1.850387  842.6610       49.17550 811.2800       
67.17825 878.8889       72.18014 62.14289 2.574888 64.67879 2.658134 -2.535904 
3.700773 
1 1 1 2   19  4  o 253.0775 2.662365  13523.42       281.0629 12889.61       
416.0809 14055.34       381.1748 247.5742 4.003072 258.5807 3.511148 -11.00652 
5.324730 
1 1 1 2   19  5  o 251.6518 2.717905  12838.20       202.9282 12648.71       
218.8624 13999.27       541.7505 245.4101 2.124222 257.8935 5.003570 -12.48337 
5.435810 
1 1 1 2   19  6  o 230.6470 2.899967  11219.46       268.5124 11075.58       
449.9796 11299.02       334.6163 229.4345 4.671487 231.8596 3.437504 -2.425049 
5.799933 
1 1 1 2   19  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   19  8  o 185.5269 2.903816  7173.655       221.9482 6919.524       
285.1884 7563.994       353.4469 181.4247 3.744179 189.6292 4.439562 -8.204498 
5.807631 
1 1 1 2   19  9  o 113.9662 1.646035  2727.314       78.74548 2688.477       
110.1695 2767.882       112.5960 113.1372 2.319407 114.7953 2.336253 -1.658127 
3.292071 
1 1 1 2   19  10 o 196.6760 2.611128  7982.534       194.9595 8481.167       
369.5078 7790.174       229.5044 200.7948 4.383209 192.5573 2.838914 8.237549 
5.222256 
1 1 1 2   19  11 o 198.3026 5.846634  8286.393       486.7582 0.000000       
0.000000 8286.393       486.7582 ?        ?        198.3026 5.846634 ? ? 
1 1 1 2   19  12 o 64.77198 2.230811  890.5407       59.98993 805.8075       
89.01991 961.0342       81.19600 61.91445 3.424650 67.62952 2.859693 -5.715069 
4.461622 
1 1 1 2   19  13 o 93.21217 2.048296  1833.397       78.30780 1789.465       
124.0846 1862.474       100.9492 92.26943 3.203178 94.15492 2.553766 -1.885490 
4.096593 
1 1 1 2   19  14 o 91.15472 2.220848  1701.956       81.76736 1906.835       
138.9332 1593.385       101.1384 95.23088 3.474956 87.07857 2.766469 8.152313 
4.441697 
1 1 1 2   19  15 o 107.2294 2.013486  2413.271       90.25246 2450.930       
134.4915 2382.418       121.7326 107.9839 2.966585 106.4748 2.723210 1.509102 
4.026972 
1 1 1 2   19  16 o 156.2927 1.982355  5075.597       125.7557 5359.955       
208.7292 4913.563       157.5625 159.6665 3.113798 152.9189 2.454217 6.747604 
3.964710 
1 1 1 2   19  17 o 40.73090 3.036292  347.3401       51.73918 374.3512       
77.23117 325.3470       69.68917 42.15676 4.363616 39.30504 4.223166 2.851715 
6.072583 
1 1 1 2   19  18 o 344.0680 5.092651  25141.56       730.6922 24850.86       
1095.205 25374.75       980.9237 342.0561 7.626395 346.0800 6.751182 -4.023926 
10.18530 
1 1 1 2   19  19 o 105.4752 2.063057  2330.263       89.68684 2389.491       
141.7868 2290.759       115.7964 106.5695 3.169014 104.3808 2.642380 2.188660 
4.126115 
1 1 1 2   19  20 o 127.7765 2.131404  3435.753       114.1741 3197.908       
160.2761 3680.797       162.6838 123.2779 3.096740 132.2751 2.929458 -8.997200 
4.262807 
1 1 1 2   19  21 o 104.1586 1.995215  2285.649       86.93639 2240.108       
127.7852 2324.891       118.6191 103.1808 2.949868 105.1363 2.687343 -1.955475 
3.990430 
1 1 1 2   19  22 o 169.5696 2.598605  6072.258       184.2920 5878.187       
270.1966 6241.081       252.0094 166.9991 3.853780 172.1401 3.487030 -5.141052 
5.197210 
1 1 1 2   19  23 o 160.0974 2.334210  5412.394       153.3452 5318.469       
243.0651 5474.492       197.6405 158.8890 3.643761 161.3058 2.918415 -2.416779 
4.668420 
1 1 1 2   19  24 o 128.0267 2.357455  3451.833       126.3439 3443.907       
185.7915 3458.653       172.3224 127.8748 3.460685 128.1786 3.202192 
-0.3038406     4.714909 
1 1 1 2   19  25 o 97.96961 1.973211  2022.996       80.19018 1996.532       
122.8748 2042.629       105.8353 97.39227 3.005104 98.54695 2.558047 -1.154678 
3.946423 
1 1 1 2   19  26 o 171.6297 2.424164  6217.256       174.3719 6056.395       
252.1755 6364.635       241.3770 169.4750 3.544201 173.7844 3.308311 -4.309372 
4.848328 
1 1 1 2   19  27 o 180.3843 2.278120  6878.137       172.0252 6584.756       
249.5879 7143.626       237.4280 176.6741 3.364896 184.0944 3.071938 -7.420334 
4.556241 
1 1 1 2   19  28 o 118.2789 2.376939  2937.065       117.4938 2785.653       
157.3600 3127.825       176.6266 114.8743 3.262816 121.6835 3.457368 -6.809196 
4.753879 
1 1 1 2   19  29 o 80.66599 2.161505  1373.992       73.18336 1412.128       
103.6178 1336.034       103.3764 81.78889 3.017597 79.54308 3.095567 2.245811 
4.323011 
1 1 1 2   19  30 o 25.11154 5.368144  95.64526       60.79031 252.1841       
116.4678 37.03077       71.26846 33.18476 8.358241 17.03832 6.738521 16.14643 
10.73629 
1 1 1 2   19  31 o 64.96288 2.989950  863.1513       77.49957 1019.258       
136.5344 788.9471       94.13388 68.99203 4.713724 60.93371 3.679674 8.058323 
5.979899 
1 1 1 2   19  32 o 46.28425 4.566946  507.1864       76.04074 400.9049       
135.9392 555.5858       91.73518 41.64172 8.063457 50.92678 4.290528 -9.285061 
9.133891 
1 1 1 2   19  33 o 20.82558 5.542997  61.12059       65.64328 137.8016       
109.9582 18.65957       81.82367 25.01969 8.623206 16.63148 6.967035 8.388208 
11.08599 
1 1 1 2   19  34 o 42.82925 4.477477  394.7952       75.96040 456.7856       
135.0140 366.0858       91.88145 44.83027 7.173459 40.82825 5.360289 4.002018 
8.954954 
1 1 1 2   19  35 o 55.83594 3.698581  684.2215       82.27504 701.8124       
140.8111 675.1028       101.3811 55.94550 5.995051 55.72638 4.333284 0.2191200 
7.397161 
1 1 1 2   19  36 o 41.58556 4.548675  400.8629       71.53095 397.3003       
126.1255 402.5522       86.84939 40.47533 7.699792 42.69580 4.845099 -2.220474 
9.097350 
1 1 1 2   19  37 o 56.87141 3.854035  676.9513       87.37220 915.4518       
156.5087 568.9694       105.3099 63.26439 5.892508 50.47845 4.969174 12.78594 
7.708070 
1 1 1 2   19  38 o 78.57626 3.576441  1384.344       110.0644 1439.849       
194.7777 1358.306       133.4052 78.68390 5.896231 78.46861 4.049466 0.2152863 
7.152882 
1 1 1 2   19  39 o 14.63834 4.915676  -72.89583      76.82340 -78.11576      
136.0736 -70.45357      93.07599 15.99304 7.569059 13.28363 6.274138 2.709407 
9.831351 
1 1 1 2   20  0  o 110.2738 1.945838  2561.845       86.01254 2537.712       
144.7418 2575.020       106.9433 109.8476 3.138517 110.6999 2.301055 
-0.8523331     3.891676 
1 1 1 2   20  1  o 58.28130 1.812958  714.5225       44.31192 679.5390       
62.89648 748.9992       62.43906 56.86167 2.634680 59.70092 2.491130 -2.839245 
3.625916 
1 1 1 2   20  2  o 235.4607 2.380280  11645.00       234.8626 11435.14       
321.2269 11886.03       344.2597 233.1951 3.281056 237.7264 3.449291 -4.531311 
4.760561 
1 1 1 2   20  3  o 150.9594 2.027193  4679.566       125.8182 4286.224       
159.7956 5321.201       204.0909 142.8172 2.665051 159.1017 3.055413 -16.28450 
4.054386 
1 1 1 2   20  4  o 151.1285 2.125460  4712.097       122.3178 4595.370       
144.2668 5010.567       230.6917 147.9000 2.323373 154.3569 3.559811 -6.456863 
4.250920 
1 1 1 2   20  5  o 134.3662 1.913837  3784.007       107.7444 3650.337       
146.8541 3939.849       158.5661 131.8053 2.653837 136.9271 2.758302 -5.121811 
3.827673 
1 1 1 2   20  6  o 270.8765 3.587247  15429.32       407.3450 15009.71       
558.1938 15907.35       595.7878 266.9601 4.980349 274.7928 5.164251 -7.832703 
7.174494 
1 1 1 2   20  7  o 80.14749 1.952781  1346.348       65.55747 1302.427       
89.18655 1397.972       96.69215 78.73100 2.698203 81.56400 2.823669 -2.833000 
3.905561 
1 1 1 2   20  8  o 140.2768 3.181695  4250.422       171.1090 3868.770       
306.4713 4423.273       206.2484 135.5015 5.387244 145.0520 3.386787 -9.550507 
6.363389 
1 1 1 2   20  9  o 100.0361 2.971307  2103.122       124.7909 2103.122       
124.7909 0.000000       0.000000 100.0361 2.971307 ?        ?        ? ? 
1 1 1 2   20  10 o 228.9407 4.468524  11005.85       398.9921 11211.61       
713.7900 10912.34       481.1869 230.2672 7.383454 227.6142 5.035417 2.652924 
8.937048 
1 1 1 2   20  11 o 120.5986 5.138061  3064.155       260.1479 3064.155       
260.1479 0.000000       0.000000 120.5986 5.138061 ?        ?        ? ? 
1 1 1 2   20  12 f 103.5055 2.076542  2205.722       86.39192 2408.280       
147.7470 2100.485       106.4951 107.0262 3.288135 99.98471 2.536981 7.041519 
4.153083 
1 1 1 2   20  13 o 196.0655 3.058915  7985.732       236.6661 8403.889       
417.3568 7787.540       287.3288 199.7082 4.977746 192.4229 3.556669 7.285278 
6.117831 
1 1 1 2   20  14 o 254.7740 3.348257  13280.98       310.6176 14473.67       
632.3649 12901.70       356.6027 261.8737 5.751711 247.6744 3.429451 14.19923 
6.696515 
1 1 1 2   20  15 o 213.5913 3.576664  9532.729       289.8729 9825.260       
545.6981 9417.739       342.1344 215.6503 6.027310 211.5324 3.852486 4.117889 
7.153329 
1 1 1 2   20  16 o 189.4638 2.865120  7479.974       218.5979 7836.444       
368.9922 7287.216       271.3377 192.8257 4.557990 186.1019 3.472806 6.723801 
5.730240 
1 1 1 2   20  17 o 85.04317 2.044919  1460.343       71.06802 1789.172       
118.2567 1274.446       88.91547 92.22984 3.054045 77.85650 2.720217 14.37334 
4.089837 
1 1 1 2   20  18 o 111.0062 2.090872  2594.292       97.32127 2537.719       
140.2708 2646.800       135.1387 109.8316 3.042012 112.1807 2.869345 -2.349037 
4.181743 
1 1 1 2   20  19 o 212.7059 3.168983  9561.345       281.8218 9366.018       
415.5833 9727.646       383.4640 210.6376 4.699410 214.7742 4.252687 -4.136658 
6.337965 
1 1 1 2   20  20 f 65.99036 2.373847  913.4081       65.26664 944.5356       
99.29900 889.7328       86.60051 66.96565 3.531945 65.01506 3.172689 1.950592 
4.747693 
1 1 1 2   20  21 o 115.5227 1.875651  2814.158       90.33474 2741.545       
135.0481 2872.957       121.5246 114.1563 2.817797 116.8892 2.476344 -2.732925 
3.751301 
1 1 1 2   20  22 o 91.64967 2.322758  1749.866       88.70813 1916.794       
135.9003 1625.942       117.0943 95.40931 3.392741 87.89002 3.173346 7.519287 
4.645515 
1 1 1 2   20  23 o 130.7614 1.839460  3602.288       100.7466 3484.822       
146.1143 3708.744       139.0990 128.7161 2.703839 132.8068 2.494736 -4.090698 
3.678921 
1 1 1 2   20  24 o 35.15617 4.248001  268.4962       60.52258 249.8850       
90.84884 283.3469       81.15316 33.72080 6.654052 36.59153 5.282578 -2.870728 
8.496001 
1 1 1 2   20  25 o 56.15910 2.917521  657.6851       68.36345 748.4562       
103.7253 587.9731       90.90020 59.54144 4.149412 52.77676 4.102449 6.764683 
5.835041 
1 1 1 2   20  26 o 122.2957 2.526408  3169.555       128.5217 3044.514       
193.2190 3268.777       172.1196 120.0758 3.832792 124.5156 3.292515 -4.439743 
5.052816 
1 1 1 2   20  27 o 98.08001 2.150888  2033.430       88.31371 1943.595       
128.0220 2114.993       121.9854 95.98821 3.176785 100.1718 2.900571 -4.183594 
4.301776 
1 1 1 2   20  28 o 82.17629 2.469706  1426.537       84.83388 1436.156       
126.1849 1418.604       114.5970 82.40336 3.647401 81.94923 3.330806 0.4541321 
4.939413 
1 1 1 2   20  29 o 67.76909 2.595782  957.1016       72.09125 1043.029       
117.3247 904.9797       91.37638 70.11965 3.985389 65.41853 3.327011 4.701126 
5.191563 
1 1 1 2   20  30 o 56.09447 3.617253  687.7908       77.46733 640.6248       
140.2146 708.5137       92.94013 54.43045 6.135816 57.75849 3.832732 -3.328045 
7.234506 
1 1 1 2   20  31 f 105.5260 2.547980  2170.815       94.22734 2736.625       
209.0487 2026.549       105.5587 113.1121 4.402094 97.93996 2.567173 15.17215 
5.095961 
1 1 1 2   20  32 o 101.2230 3.094568  2077.129       116.7301 2473.039       
233.1512 1944.692       134.8480 106.8359 5.198060 95.61003 3.359402 11.22591 
6.189136 
1 1 1 2   20  33 o 32.48611 5.246742  228.0275       65.91174 307.6021       
120.1549 193.7755       78.83108 36.00543 8.139073 28.96679 6.623344 7.038643 
10.49348 
1 1 1 2   20  34 o 80.54533 3.162938  1391.880       98.21893 1448.912       
179.7048 1367.586       117.2873 81.19654 5.271608 79.89412 3.496691 1.302422 
6.325875 
1 1 1 2   20  35 o 36.11306 4.821753  279.9265       69.57526 414.0483       
118.3646 209.1213       86.00123 42.60349 6.617559 29.62263 7.014636 12.98086 
9.643505 
1 1 1 2   20  36 o 21.47414 5.919238  60.53185       75.42435 173.2042       
132.7006 6.761651       91.67166 26.49475 9.439088 16.45352 7.145148 10.04123 
11.83848 
1 1 1 2   20  37 o 85.07466 2.740430  1559.818       93.79103 1652.376       
158.6446 1510.084       116.2905 86.54877 4.366017 83.60056 3.313265 2.948204 
5.480860 
1 1 1 2   20  38 o 21.74511 5.838430  109.8584       78.29450 16.85923       
136.8685 155.0928       95.45498 19.03718 8.468726 24.45304 8.039262 -5.415852 
11.67686 
1 1 1 2   20  39 f 43.03453 4.893553  491.8448       78.46951 379.1580       
129.7321 556.8563       98.53851 36.82775 8.547992 49.24131 4.766476 -12.41356 
9.787107 
1 1 1 2   21  0  o 59.20414 1.982634  743.7294       48.83627 665.7171       
71.42034 812.2365       66.92814 56.25322 3.024096 62.15505 2.564799 -5.901829 
3.965268 
1 1 1 2   21  1  o 118.3877 1.795687  2936.909       88.62308 3023.279       
134.3535 2870.383       117.9135 119.9148 2.668685 116.8606 2.403348 3.054192 
3.591373 
1 1 1 2   21  2  o 130.5179 1.872216  3568.611       102.3817 3389.672       
139.4585 3777.791       150.7828 126.9837 2.615881 134.0520 2.679167 -7.068253 
3.744432 
1 1 1 2   21  3  o 176.3203 2.014688  6544.696       148.0704 6464.606       
222.4259 6608.435       198.4289 175.3331 3.021640 177.3074 2.665625 -1.974350 
4.029376 
1 1 1 2   21  4  o 149.8720 2.068531  4699.836       129.7530 4447.716       
175.2807 5005.483       192.9921 145.4511 2.870373 154.2930 2.979301 -8.841888 
4.137061 
1 1 1 2   21  5  o 175.9435 2.307667  6283.695       147.9359 6067.598       
169.6594 6969.175       302.1692 169.9294 2.378103 181.9577 3.955495 -12.02835 
4.615335 
1 1 1 2   21  6  o 160.3238 2.220549  5322.101       135.2039 5214.652       
159.3450 5598.325       255.4877 157.5338 2.409272 163.1138 3.730786 -5.580002 
4.441098 
1 1 1 2   21  7  o 74.17717 1.972245  1156.332       61.37882 1151.670       
85.17526 1161.369       88.52727 74.02329 2.740729 74.33105 2.836794 
-0.3077621     3.944490 
1 1 1 2   21  8  o 40.98627 2.825491  353.5671       48.59906 353.3323       
69.73705 353.7888       67.76430 40.97147 4.054181 41.00108 3.936649 
-0.2961731E-01 5.650981 
1 1 1 2   21  9  o 50.64843 2.759495  523.9150       57.60696 625.4053       
92.93781 460.5931       73.41039 54.50882 4.061129 46.78805 3.737177 7.720772 
5.518991 
1 1 1 2   21  10 o 228.5728 6.964978  11056.54       668.3797 0.000000       
0.000000 11056.54       668.3797 ?        ?        228.5728 6.964978 ? ? 
1 1 1 2   21  11 o 81.24641 2.559381  1376.176       86.29459 1469.019       
134.2617 1310.825       112.6430 83.54925 3.827635 78.94359 3.398666 4.605659 
5.118762 
1 1 1 2   21  12 o 284.9553 4.955895  17030.18       558.2562 16713.59       
680.0903 17684.14       977.4501 281.3375 5.757847 288.5731 8.067886 -7.235657 
9.911791 
1 1 1 2   21  13 o 167.2152 2.391734  5724.352       144.6829 6194.382       
297.0194 5578.125       165.6667 171.5078 4.124980 162.9226 2.422004 8.585236 
4.783468 
1 1 1 2   21  14 o 116.8151 2.200673  2825.435       101.6093 3001.067       
178.9951 2741.930       123.4232 119.4165 3.570245 114.2137 2.573948 5.202820 
4.401347 
1 1 1 2   21  15 o 37.15794 3.531687  281.3985       54.03939 345.7321       
87.46210 241.6741       68.72726 40.46935 5.147718 33.84652 4.836554 6.622826 
7.063374 
1 1 1 2   21  16 o 103.1501 2.077050  2195.071       86.05684 2382.812       
147.2254 2097.635       106.0628 106.4099 3.295503 99.89027 2.529072 6.519630 
4.154100 
1 1 1 2   21  17 o 203.5731 3.153745  8679.913       259.7939 8972.922       
432.2542 8514.217       325.0540 206.1176 4.995111 201.0285 3.851403 5.089050 
6.307491 
1 1 1 2   21  18 o 141.6431 2.205206  4210.042       123.9386 4259.664       
214.1781 4185.060       151.9672 142.2106 3.587272 141.0756 2.565778 1.134964 
4.410413 
1 1 1 2   21  19 o 341.5024 5.619408  24845.53       762.0433 25084.22       
1312.129 24724.05       936.0922 341.7990 9.143803 341.2057 6.534666 0.5932312 
11.23882 
1 1 1 2   21  20 o 71.69702 2.285713  1083.214       68.34517 1072.862       
102.4807 1091.506       91.72121 71.37598 3.419881 72.01806 3.033538 
-0.6420746     4.571426 
1 1 1 2   21  21 o 103.4783 2.181997  2257.165       94.62416 2120.209       
134.6336 2390.855       133.0186 100.3618 3.195259 106.5948 2.972333 -6.232986 
4.363994 
1 1 1 2   21  22 o 60.89901 2.532595  766.5958       64.12995 921.6799       
98.47544 652.3911       84.50580 66.14902 3.545893 55.64900 3.617014 10.50002 
5.065190 
1 1 1 2   21  23 o 84.32072 2.396366  1499.037       84.73664 1430.278       
120.5912 1566.101       119.0942 82.40064 3.485830 86.24081 3.289265 -3.840172 
4.792731 
1 1 1 2   21  24 o 99.23860 2.086863  2076.309       86.80593 1992.669       
124.6466 2155.075       120.9606 97.28547 3.051781 101.1917 2.847214 -3.906273 
4.173727 
1 1 1 2   21  25 o 81.93179 2.371448  1405.402       81.28256 1541.350       
121.2351 1294.393       109.5525 85.50372 3.377259 78.35985 3.330042 7.143875 
4.742895 
1 1 1 2   21  26 o 92.53300 2.403946  1807.866       92.91789 1796.447       
138.2994 1817.261       125.4498 92.24148 3.571207 92.82452 3.219055 
-0.5830460     4.807893 
1 1 1 2   21  27 o 77.09399 2.449526  1252.249       78.61601 1281.508       
119.7777 1230.105       104.2021 77.85365 3.664526 76.33433 3.251455 1.519325 
4.899053 
1 1 1 2   21  28 o 68.35288 2.693240  986.2555       76.91114 1021.862       
115.4064 957.8055       103.1587 69.43460 3.958905 67.27116 3.652566 2.163437 
5.386480 
1 1 1 2   21  29 o 87.63736 2.834420  1610.834       97.12256 1686.880       
173.9656 1576.399       117.0647 88.94373 4.658746 86.33099 3.229835 2.612740 
5.668840 
1 1 1 2   21  30 o 116.9429 3.139493  2858.241       131.9732 3042.888       
271.7324 2801.242       150.9749 118.8601 5.445356 115.0257 3.126301 3.834404 
6.278986 
1 1 1 2   21  31 o 76.95927 2.591086  1278.656       80.16910 1196.687       
131.7767 1326.820       101.0128 74.80482 4.195949 79.11372 3.041204 -4.308891 
5.182172 
1 1 1 2   21  32 o 64.08373 3.304465  889.3870       80.96787 877.6944       
148.3394 894.3488       96.63226 63.41590 5.571592 64.75156 3.554618 -1.335651 
6.608930 
1 1 1 2   21  33 o 77.62802 2.788012  1217.949       82.69142 1484.559       
159.1809 1119.409       96.77373 82.78640 4.579869 72.46964 3.180698 10.31676 
5.576024 
1 1 1 2   21  34 o 91.36385 2.790092  1732.146       96.65679 1964.320       
185.6695 1645.833       113.2065 94.91635 4.659298 87.81133 3.070731 7.105019 
5.580184 
1 1 1 2   21  35 o 42.45264 4.436480  424.4270       70.78286 379.0389       
122.2262 447.3300       86.82386 39.71327 7.601870 45.19202 4.576130 -5.478748 
8.872959 
1 1 1 2   21  36 o 78.08864 3.131747  1302.833       92.64632 1429.835       
176.5078 1254.538       108.8455 79.92071 5.260482 76.25657 3.399806 3.664139 
6.263494 
1 1 1 2   21  37 o 28.73911 5.825065  213.3078       72.59014 211.0846       
119.5411 214.6065       91.36370 28.21071 8.980243 29.26751 7.421642 -1.056805 
11.65013 
1 1 1 2   21  38 o 31.65735 5.460972  277.1636       72.16483 202.9970       
128.8508 311.0600       87.10840 26.81782 9.325792 36.49688 5.684932 -9.679068 
10.92194 
1 1 1 2   21  39 o 49.34187 4.202776  574.4407       83.27050 635.1694       
141.8022 542.4767       102.8767 50.41804 6.699124 48.26571 5.076912 2.152332 
8.405552 
1 1 1 2   22  0  o 80.89636 1.748957  1383.028       58.98618 1199.383       
83.63459 1564.792       83.20515 75.51652 2.637941 86.27621 2.297102 -10.75969 
3.497915 
1 1 1 2   22  1  o 287.0858 2.658498  16872.18       260.8129 16529.52       
291.9920 18224.52       580.0721 280.3831 2.480505 293.7884 4.702929 -13.40524 
5.316997 
1 1 1 2   22  2  o 137.3585 1.927991  3944.791       109.8366 3825.404       
143.5630 4113.319       170.5695 134.8843 2.535142 139.8327 2.905452 -4.948334 
3.855982 
1 1 1 2   22  3  f 75.49452 1.723730  1189.947       54.43723 1300.483       
81.26458 1099.970       73.31882 78.65208 2.461003 72.33697 2.414217 6.315117 
3.447459 
1 1 1 2   22  4  o 206.9872 2.259998  8882.242       194.4512 8125.879       
254.1514 9950.100       301.9844 196.5332 3.080192 217.4411 3.307987 -20.90794 
4.519996 
1 1 1 2   22  5  o 120.9039 1.821798  3074.375       92.42355 2964.245       
130.9258 3183.771       130.4886 118.7412 2.626302 123.0666 2.525535 -4.325394 
3.643595 
1 1 1 2   22  6  o 30.66475 3.146481  198.9463       40.23460 171.5756       
56.65844 226.7895       57.14532 28.52093 4.731752 32.80858 4.148722 -4.287647 
6.292962 
1 1 1 2   22  7  o 69.87471 2.040552  1025.404       59.82339 1069.067       
86.40404 985.1996       82.91019 71.30164 2.886394 68.44778 2.885158 2.853851 
4.081103 
1 1 1 2   22  8  o 236.6414 4.313151  11629.85       414.9943 11026.34       
519.3686 12695.61       690.1813 228.4965 5.413987 244.7863 6.715790 -16.28983 
8.626302 
1 1 1 2   22  9  o 143.3107 2.804141  4340.021       167.8797 4153.595       
246.8868 4500.358       228.9609 140.4116 4.188091 146.2098 3.729975 -5.798218 
5.608281 
1 1 1 2   22  10 o 54.36512 5.871012  624.8752       134.0023 624.8752       
134.0023 0.000000       0.000000 54.36512 5.871012 ?        ?        ? ? 
1 1 1 2   22  11 o 177.6296 4.070502  6705.419       297.9811 6475.834       
463.8944 6866.691       388.7992 174.9005 6.317556 180.3587 5.134630 -5.458221 
8.141004 
1 1 1 2   22  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   22  13 o 46.02992 3.477883  431.4684       66.01275 546.6640       
105.6672 357.7324       84.54000 50.89008 4.945704 41.16976 4.891082 9.720318 
6.955766 
1 1 1 2   22  14 o 53.97623 2.538100  622.2946       56.33861 563.2373       
86.51622 665.7763       74.23586 51.70146 3.985803 56.25100 3.143435 -4.549545 
5.076200 
1 1 1 2   22  15 o 189.2477 3.378344  7421.849       253.1161 7975.984       
445.4384 7157.593       307.6043 194.2040 5.463243 184.2915 3.975650 9.912537 
6.756688 
1 1 1 2   22  16 o 191.9387 2.668454  7475.589       180.9856 8298.720       
386.6425 7244.622       204.8094 198.2716 4.644835 185.6059 2.628326 12.66568 
5.336908 
1 1 1 2   22  17 o 147.4265 2.696283  4532.570       159.4209 4740.982       
271.4522 4422.841       196.9673 149.9056 4.313171 144.9475 3.236715 4.958115 
5.392566 
1 1 1 2   22  18 f 118.2109 2.107294  2891.100       99.77583 3103.232       
171.3600 2782.294       122.7249 121.3970 3.362194 115.0247 2.541339 6.372238 
4.214588 
1 1 1 2   22  19 f 149.5858 2.363902  4657.160       136.8856 4851.179       
249.6298 4573.735       163.6905 151.7032 3.919428 147.4684 2.643903 4.234802 
4.727805 
1 1 1 2   22  20 f 107.6827 2.512458  2455.425       111.3238 2374.360       
174.2553 2511.325       144.7028 106.1344 3.910667 109.2309 3.155385 -3.096451 
5.024915 
1 1 1 2   22  21 o 98.19699 2.281078  2035.482       93.75912 1934.338       
135.7358 2127.779       129.6634 95.84456 3.373246 100.5494 3.071559 -4.704865 
4.562156 
1 1 1 2   22  22 o 147.8123 2.581042  4561.696       150.0153 4724.181       
265.3636 4485.378       181.8649 149.6335 4.224094 145.9912 2.967176 3.642288 
5.162084 
1 1 1 2   22  23 o 120.8809 2.359507  3098.587       117.9625 2950.741       
180.8050 3208.162       155.6541 118.3133 3.639971 123.4484 3.003283 -5.135109 
4.719014 
1 1 1 2   22  24 o 104.0417 2.244452  2269.121       96.04549 2338.094       
152.9684 2224.233       123.4024 105.3037 3.460022 102.7797 2.859809 2.524010 
4.488904 
1 1 1 2   22  25 o 35.04925 4.412425  260.8723       62.63748 345.4778       
95.77666 197.6410       82.79921 40.28698 5.662602 29.81152 6.768524 10.47546 
8.824850 
1 1 1 2   22  26 o 79.84883 2.086697  1342.844       69.80366 1366.951       
102.5019 1321.995       95.32310 80.50642 3.032653 79.19124 2.867095 1.315178 
4.173394 
1 1 1 2   22  27 o 44.06588 3.617667  418.7849       65.84587 381.1728       
99.75331 447.8272       87.65552 42.22158 5.627479 45.91017 4.547696 -3.688587 
7.235334 
1 1 1 2   22  28 o 100.4276 2.368280  2103.514       98.80109 2334.994       
153.8090 1940.899       128.9156 105.0334 3.487991 95.82181 3.204514 9.211601 
4.736559 
1 1 1 2   22  29 o 105.6900 2.760726  2380.229       118.7572 2346.311       
192.4257 2401.094       150.9296 104.9185 4.368497 106.4615 3.376782 -1.542999 
5.521451 
1 1 1 2   22  30 o 24.48049 5.345004  65.05943       66.66183 275.5638       
122.3680 -23.77514      79.49289 34.39268 8.510103 14.56829 6.469499 19.82439 
10.69001 
1 1 1 2   22  31 o 83.05426 2.964792  1477.563       94.67577 1477.933       
172.6009 1477.404       113.2303 82.72343 4.969763 83.38510 3.234411 
-0.6616745     5.929583 
1 1 1 2   22  32 o 40.29395 4.709293  406.3328       66.82108 280.4827       
121.3201 461.1363       80.05899 34.25787 8.471650 46.33004 4.115935 -12.07217 
9.418587 
1 1 1 2   22  33 o 17.49187 5.283727  15.36554       65.65486 18.11194       
112.9664 13.96467       80.68004 18.79870 8.042088 16.18504 6.855356 2.613661 
10.56745 
1 1 1 2   22  34 o 60.12688 3.593422  792.1201       83.35337 805.4281       
151.1445 786.3038       99.92165 59.93220 6.006939 60.32157 3.945554 
-0.3893700     7.186843 
1 1 1 2   22  35 o 74.04387 2.678296  1159.378       76.74265 1259.125       
140.9466 1117.347       91.49386 75.84389 4.426446 72.24385 3.016561 3.600037 
5.356591 
1 1 1 2   22  36 o 62.93133 3.631660  902.9155       89.56271 834.0815       
153.3580 938.5446       110.3334 60.31049 6.056680 65.55217 4.009047 -5.241684 
7.263321 
1 1 1 2   22  37 o 51.20789 3.732183  578.2490       75.23318 648.1230       
134.2695 546.2728       90.83065 52.77657 6.059783 49.63921 4.358416 3.137367 
7.464366 
1 1 1 2   22  38 o 32.45697 6.087500  272.1671       82.18856 388.8506       
139.4418 210.0511       101.7395 37.17472 9.014578 27.73922 8.183399 9.435501 
12.17500 
1 1 1 2   22  39 o 19.17878 6.044425  40.28959       80.89263 95.30613       
183.0029 26.92949       90.18124 21.98080 9.784955 16.37677 7.098942 5.604033 
12.08885 
1 1 1 2   23  0  f 111.4595 1.750046  2611.830       81.88660 2568.684       
115.1361 2655.993       116.4859 110.5277 2.481199 112.3913 2.468663 -1.863640 
3.500092 
1 1 1 2   23  1  o 144.8957 1.967501  4387.220       115.5805 4306.498       
145.0087 4527.837       191.3896 143.1180 2.413354 146.6735 3.108049 -3.555511 
3.935002 
1 1 1 2   23  2  o 16.33593 4.021070  49.94047       34.09521 38.23769       
48.63621 61.24914       47.81024 15.31228 5.683758 17.35957 5.689542 -2.047296 
8.042139 
1 1 1 2   23  3  o 25.98829 3.446781  147.2403       36.21609 143.6087       
50.71271 151.0202       51.73724 25.65486 4.884178 26.32173 4.864770 
-0.6668625     6.893561 
1 1 1 2   23  4  o 121.5732 1.920430  3114.836       97.82761 2956.313       
140.2553 3265.025       136.5187 118.5458 2.818085 124.6007 2.609714 -6.054871 
3.840861 
1 1 1 2   23  5  o 29.13373 3.286006  181.9600       38.99579 211.1241       
56.10778 154.7087       54.23655 31.63903 4.223972 26.62844 5.034819 5.010593 
6.572012 
1 1 1 2   23  6  o 67.06262 1.980201  931.2831       55.05742 859.1113       
71.40822 1037.084       86.45863 63.91505 2.661130 70.21018 2.933117 -6.295128 
3.960402 
1 1 1 2   23  7  o 247.8042 3.381653  12984.83       348.3603 12822.05       
529.3212 13109.21       462.6867 246.3279 5.118312 249.2804 4.420994 -2.952499 
6.763306 
1 1 1 2   23  8  o 228.5985 4.177831  11125.24       379.1310 10880.41       
648.4770 11252.39       467.3205 226.3455 6.824075 230.8516 4.821731 -4.506149 
8.355662 
1 1 1 2   23  9  o 141.4270 5.751392  4233.466       341.4950 0.000000       
0.000000 4233.466       341.4950 ?        ?        141.4270 5.751392 ? ? 
1 1 1 2   23  10 o 241.9688 4.250983  12335.99       407.0632 12600.33       
708.3508 12205.65       497.3951 243.5370 6.927947 240.4007 4.928183 3.136276 
8.501966 
1 1 1 2   23  11 o 164.5336 3.764881  5723.972       257.1477 5721.043       
394.1362 5726.143       339.3141 164.4088 5.710083 164.6584 4.908389 
-0.2496338     7.529763 
1 1 1 2   23  12 o 96.81294 2.600349  1977.062       105.4231 1809.036       
148.6985 2146.874       149.4863 92.65793 3.822479 100.9679 3.526460 -8.310020 
5.200698 
1 1 1 2   23  13 o 58.89198 2.950435  736.3482       72.20011 691.7856       
108.2443 772.0645       96.90665 57.25378 4.503208 60.53017 3.813316 -3.276394 
5.900869 
1 1 1 2   23  14 o 94.45518 5.865806  1890.179       232.6121 1890.179       
232.6121 0.000000       0.000000 94.45518 5.865806 ?        ?        ? ? 
1 1 1 2   23  15 o 111.4936 2.994279  2626.637       136.8436 2601.721       
217.9932 2642.841       175.7963 110.9965 4.677940 111.9907 3.738943 
-0.9941559     5.988557 
1 1 1 2   23  16 o 87.34976 2.087332  1598.486       75.84010 1655.681       
116.2655 1556.125       100.0581 88.69145 3.122413 86.00806 2.770986 2.683388 
4.174664 
1 1 1 2   23  17 o 87.11969 2.113136  1585.845       76.60129 1678.435       
117.7123 1517.835       100.8851 89.29882 3.139767 84.94057 2.829000 4.358253 
4.226273 
1 1 1 2   23  18 o 121.5084 2.442316  3082.460       119.6088 3204.050       
201.1405 3015.944       148.7704 123.2944 3.885771 119.7223 2.959800 3.572098 
4.884633 
1 1 1 2   23  19 o 86.15782 2.221984  1558.829       79.31966 1584.365       
122.9624 1540.630       103.8050 86.74302 3.376439 85.57263 2.889379 1.170387 
4.443968 
1 1 1 2   23  20 f 215.7666 2.960401  9824.442       250.1651 9808.293       
441.8769 9832.060       303.4852 215.4477 4.885180 216.0856 3.345282 
-0.6379395     5.920802 
1 1 1 2   23  21 o 219.1167 4.034290  10111.77       349.7427 10362.45       
609.3602 9988.630       427.0937 220.7911 6.573756 217.4422 4.678432 3.348877 
8.068581 
1 1 1 2   23  22 o 43.04177 3.641082  398.4234       63.88005 363.8210       
100.8618 421.5997       82.54602 41.40742 5.801894 44.67612 4.400902 -3.268703 
7.282164 
1 1 1 2   23  23 o 170.9047 2.700187  6152.130       184.7763 6206.698       
313.0093 6122.942       228.9193 171.3472 4.351123 170.4622 3.198714 0.8850098 
5.400374 
1 1 1 2   23  24 o 54.77531 3.051345  624.6995       69.25928 697.0032       
109.0013 575.7429       89.69271 57.36878 4.525610 52.18185 4.094103 5.186932 
6.102690 
1 1 1 2   23  25 o 90.49091 2.389960  1735.749       89.97072 1673.298       
135.3512 1785.188       120.4279 88.98821 3.622853 91.99360 3.118103 -3.005386 
4.779920 
1 1 1 2   23  26 f 91.99001 2.419987  1801.786       91.06026 1725.377       
144.5351 1852.077       117.2584 90.28690 3.813026 93.69310 2.980969 -3.406197 
4.839973 
1 1 1 2   23  27 o 87.14357 2.292636  1624.750       82.04170 1500.839       
127.3750 1712.603       107.2518 84.19930 3.603271 90.08783 2.835694 -5.888527 
4.585272 
1 1 1 2   23  28 o 27.52840 5.483057  171.4138       64.58179 163.7343       
107.8325 175.7090       80.64480 27.16721 8.512508 27.88960 6.913239 
-0.7223949     10.96611 
1 1 1 2   23  29 o 93.32225 2.729843  1831.557       103.9815 1942.790       
170.1845 1765.296       131.3501 95.42613 4.247895 91.21838 3.429803 4.207756 
5.459685 
1 1 1 2   23  30 o 83.70888 2.589372  1494.489       87.46872 1483.955       
144.9186 1500.526       109.7049 83.30881 4.143375 84.10894 3.106741 
-0.8001328     5.178745 
1 1 1 2   23  31 o 48.32286 4.209969  533.6488       75.74160 462.0090       
139.1138 563.8329       90.29882 45.39311 7.299641 51.25260 4.196500 -5.859489 
8.419938 
1 1 1 2   23  32 f 47.48266 4.060500  441.3340       75.45740 667.1740       
141.8785 352.2568       89.10449 54.83477 6.162851 40.13055 5.288659 14.70422 
8.121000 
1 1 1 2   23  33 o 46.11426 4.311814  516.9858       69.00291 398.3573       
128.2874 565.2779       81.85172 40.97841 7.739226 51.25010 3.804120 -10.27169 
8.623628 
1 1 1 2   23  34 o 33.61352 5.216874  328.8469       74.66328 95.91025       
136.5561 428.1763       89.17255 23.08103 9.258222 44.14600 4.811282 -21.06497 
10.43375 
1 1 1 2   23  35 o 62.50148 3.588111  825.8504       86.56946 982.4222       
162.4271 763.7277       102.3120 65.83395 5.876648 59.16901 4.118637 6.664932 
7.176222 
1 1 1 2   23  36 o 29.16238 5.313834  226.2753       66.54562 145.6772       
122.8521 259.7434       79.16543 24.51566 9.046612 33.80910 5.577288 -9.293438 
10.62767 
1 1 1 2   23  37 o 34.71279 5.439377  310.8956       76.09688 292.1918       
119.9491 323.4940       98.44395 33.04066 8.574471 36.38492 6.695203 -3.344265 
10.87875 
1 1 1 2   23  38 o 18.89355 5.735757  54.36222       77.77943 60.35981       
136.8824 51.50237       94.52145 19.93114 8.693619 17.85596 7.484426 2.075180 
11.47151 
1 1 1 2   24  0  o 132.2722 2.031402  3614.679       109.2254 3429.713       
136.6467 3941.975       181.7706 127.7038 2.548687 136.8407 3.163948 -9.136925 
4.062803 
1 1 1 2   24  1  o 214.5787 2.125161  9625.033       171.0740 9546.963       
200.6192 9833.091       327.5073 213.1123 2.242255 216.0451 3.610752 -2.932800 
4.250322 
1 1 1 2   24  2  o 97.08054 1.838227  1960.774       74.07272 1850.288       
96.61905 2118.294       115.3657 93.80845 2.453250 100.3526 2.738225 -6.544167 
3.676454 
1 1 1 2   24  3  o 170.2689 2.079963  6105.008       148.4722 5995.902       
214.7024 6205.001       205.5399 168.7977 3.029642 171.7401 2.850660 -2.942368 
4.159927 
1 1 1 2   24  4  o 10.35252 3.398095  -47.82455      35.90426 -25.78116      
49.64745 -71.99329      51.98580 11.13980 5.022573 9.565249 4.578422 1.574550 
6.796189 
1 1 1 2   24  5  o 80.39041 1.839216  1357.472       62.02810 1287.702       
86.18236 1432.456       89.34508 78.24863 2.623389 82.53220 2.578506 -4.283577 
3.678432 
1 1 1 2   24  6  o 103.2254 2.091733  2243.236       89.92869 2250.895       
119.9655 2233.411       135.8712 103.4425 2.762350 103.0083 3.141783 0.4341431 
4.183465 
1 1 1 2   24  7  o 36.90076 3.146768  288.4745       48.03714 228.0456       
66.71488 353.5345       69.22414 32.85432 4.836724 40.94721 4.026747 -8.092892 
6.293536 
1 1 1 2   24  8  o 60.35015 2.613053  770.0773       65.97578 718.1132       
95.06973 818.3522       91.63284 58.36790 3.879621 62.33241 3.501534 -3.964512 
5.226107 
1 1 1 2   24  9  o 209.4013 8.430499  9384.686       741.1594 9384.686       
741.1594 0.000000       0.000000 209.4013 8.430499 ?        ?        ? ? 
1 1 1 2   24  10 o 177.5271 3.697954  6621.752       265.3378 6826.697       
442.3358 6506.558       331.6275 179.4863 5.870049 175.5678 4.499111 3.918503 
7.395909 
1 1 1 2   24  11 o 28.94333 4.803612  189.9122       59.20719 123.3912       
91.40789 237.9933       77.71255 24.35588 7.862835 33.53077 5.520377 -9.174889 
9.607224 
1 1 1 2   24  12 o 145.2118 2.762890  4453.265       167.9589 4319.720       
244.7878 4572.066       230.8813 143.1244 4.073776 147.2991 3.733443 -4.174759 
5.525781 
1 1 1 2   24  13 o 77.76707 2.738465  1278.304       88.74854 1243.576       
132.8641 1306.282       119.2548 76.78962 4.121224 78.74451 3.607252 -1.954895 
5.476929 
1 1 1 2   24  14 o 34.53239 4.485917  255.8799       63.05915 327.8830       
93.25198 195.2127       85.59714 39.35153 5.644396 29.71325 6.973849 9.638283 
8.971833 
1 1 1 2   24  15 o 135.4893 4.023615  3870.380       228.8761 0.000000       
0.000000 3870.380       228.8761 ?        ?        135.4893 4.023615 ? ? 
1 1 1 2   24  16 o 192.8511 6.939922  7908.430       561.8957 7908.430       
561.8957 0.000000       0.000000 192.8511 6.939922 ?        ?        ? ? 
1 1 1 2   24  17 f 69.39406 2.937392  1011.547       85.19477 1056.502       
127.7094 975.4978       114.3601 70.76637 4.298501 68.02174 4.004496 2.744637 
5.874785 
1 1 1 2   24  18 o 134.1770 2.538138  3793.156       136.2392 3791.020       
230.7350 3794.299       168.8074 134.0759 4.099056 134.2782 2.994381 
-0.2023163     5.076276 
1 1 1 2   24  19 o 112.6477 2.267012  2657.468       105.2802 2744.844       
166.5741 2599.347       135.8556 114.1525 3.475707 111.1430 2.911500 3.009583 
4.534023 
1 1 1 2   24  20 o 116.8608 2.477193  2833.243       118.4902 3071.213       
193.3585 2690.141       149.9425 120.6892 3.816068 113.0324 3.159679 7.656776 
4.954387 
1 1 1 2   24  21 o 68.39491 2.556393  976.8878       72.57290 1046.786       
112.8938 927.6586       94.74284 70.44281 3.817286 66.34701 3.401309 4.095802 
5.112785 
1 1 1 2   24  22 o 22.60512 5.348897  104.2653       59.55943 88.54427       
93.72270 114.9148       77.13827 22.02729 7.924076 23.18296 7.186919 -1.155670 
10.69779 
1 1 1 2   24  23 o 85.82666 2.505078  1552.346       88.75407 1568.644       
139.1165 1541.159       115.2576 86.16376 3.845697 85.48956 3.211275 0.6742096 
5.010157 
1 1 1 2   24  24 f 29.43822 4.913208  176.4462       59.29313 279.4074       
99.14291 119.1135       73.98201 35.49222 6.899724 23.38422 6.996587 12.10800 
9.826415 
1 1 1 2   24  25 o 68.69482 2.647179  943.5134       74.21535 1290.255       
122.8077 744.0291       93.14874 78.08965 3.745873 59.30000 3.741479 18.78965 
5.294358 
1 1 1 2   24  26 o 77.44884 2.545807  1275.409       81.78941 1229.579       
124.4517 1310.253       108.5146 76.16469 3.891959 78.73299 3.282861 -2.568298 
5.091613 
1 1 1 2   24  27 o 143.3825 2.444407  4333.329       139.8244 4418.894       
239.2571 4288.947       172.3126 144.2609 3.950365 142.5040 2.880123 1.756866 
4.888813 
1 1 1 2   24  28 o 88.48788 2.550018  1605.915       88.58227 1820.810       
160.2028 1511.279       106.3129 92.45443 4.127274 84.52133 2.995993 7.933098 
5.100036 
1 1 1 2   24  29 o 14.62340 4.537388  -52.47493      55.56663 42.34303       
89.03671 -112.9649      71.11572 18.59919 7.469421 10.64761 5.153572 7.951585 
9.074776 
1 1 1 2   24  30 f 17.36012 5.206815  -20.33973      64.62773 80.42086       
113.1997 -69.06389      78.71764 21.99083 8.544711 12.72941 5.952444 9.261419 
10.41363 
1 1 1 2   24  31 o 45.96780 3.997720  435.3091       73.03924 553.9567       
131.0363 381.8312       87.97301 50.01748 6.240088 41.91811 4.998836 8.099373 
7.995439 
1 1 1 2   24  32 f 63.16549 3.415224  833.7936       83.29179 962.5063       
155.5443 782.0480       98.62337 66.03717 5.610308 60.29381 3.896083 5.743359 
6.830448 
1 1 1 2   24  33 o 46.90676 4.229114  489.9253       76.97794 500.5163       
138.0300 485.1443       92.73898 46.70301 7.039629 47.11052 4.688841 
-0.4075089     8.458227 
1 1 1 2   24  34 o 22.02938 5.505175  96.53494       58.59094 149.7184       
110.8793 75.93155       69.01311 25.04690 8.656672 19.01185 6.803664 6.035057 
11.01035 
1 1 1 2   24  35 o 33.84796 5.618754  261.9532       73.95022 366.8275       
135.0676 217.0580       88.37241 37.88189 8.675095 29.81404 7.143132 8.067844 
11.23751 
1 1 1 2   24  36 o 19.79904 5.778866  63.76825       73.34718 57.44145       
135.2132 66.40620       87.30930 20.69855 8.824787 18.89954 7.463531 1.799007 
11.55773 
1 1 1 2   24  37 o 19.35565 5.534039  72.93291       65.71840 59.67173       
124.5087 78.05418       77.37446 19.83026 8.461852 18.88105 7.134382 0.9492092 
11.06808 
1 1 1 2   24  38 o 27.04462 6.232412  211.5018       78.87311 217.9693       
139.7830 208.4809       95.53414 26.57619 9.665687 27.51305 7.870599 
-0.9368591     12.46482 
1 1 1 2   25  0  o 78.04556 2.156521  1303.990       68.31348 1194.207       
109.2085 1374.560       87.55914 75.26604 3.456038 80.82508 2.580337 -5.559036 
4.313043 
1 1 1 2   25  1  f 20.82992 4.410526  91.57110       41.19682 105.6977       
63.73907 81.43562       53.98942 22.09299 6.464420 19.56685 6.001852 2.526142 
8.821052 
1 1 1 2   25  2  o 182.4981 2.200920  7012.735       168.4776 6986.531       
243.2932 7036.880       233.5332 182.1587 3.181273 182.8375 3.042317 
-0.6787720     4.401840 
1 1 1 2   25  3  o 76.98006 1.972496  1246.602       63.74449 1226.151       
89.68879 1267.478       90.61498 76.34158 2.798324 77.61855 2.780709 -1.276962 
3.944992 
1 1 1 2   25  4  o 142.4943 2.274205  4284.264       135.1930 4183.191       
201.5757 4366.897       182.2632 140.9384 3.406669 144.0502 3.013742 -3.111816 
4.548410 
1 1 1 2   25  5  o 25.71201 4.188828  147.3313       44.45209 169.9494       
60.87457 121.4930       65.06381 27.88198 5.392841 23.54205 6.411114 4.339931 
8.377656 
1 1 1 2   25  6  o 157.3718 2.752746  5213.926       181.6971 5355.244       
264.0600 5086.849       250.4008 159.3857 3.946156 155.3578 3.839048 4.027893 
5.505492 
1 1 1 2   25  7  o 122.9131 2.517286  3204.562       128.3209 3022.930       
194.1327 3345.496       171.0057 119.7614 3.861028 126.0649 3.231003 -6.303520 
5.034572 
1 1 1 2   25  8  o 167.0411 6.983323  5934.286       489.7387 0.000000       
0.000000 5934.286       489.7387 ?        ?        167.0411 6.983323 ? ? 
1 1 1 2   25  9  o 227.6418 4.446804  10986.81       408.4638 11020.00       
678.8433 10967.97       511.3993 227.5795 7.104892 227.7042 5.349463 
-0.1246643     8.893607 
1 1 1 2   25  10 o 155.8814 3.249092  5102.059       203.3338 5224.447       
343.6864 5036.151       252.2087 157.1864 5.207970 154.5764 3.886315 2.609970 
6.498184 
1 1 1 2   25  11 o 146.0581 2.882045  4572.289       169.0501 4232.262       
277.9748 4771.854       212.9569 141.5748 4.676712 150.5414 3.369434 -8.966599 
5.764089 
1 1 1 2   25  12 o 144.4203 2.809791  4411.917       160.4081 4352.114       
277.4742 4441.935       196.5870 143.5781 4.603154 145.2626 3.223457 -1.684540 
5.619582 
1 1 1 2   25  13 o 98.93465 2.834953  2063.904       116.4880 2061.666       
178.2055 2065.573       153.9264 98.85635 4.293757 99.01295 3.702903 
-0.1566010     5.669907 
1 1 1 2   25  14 o 224.8678 4.982847  10682.77       446.8415 10999.47       
766.6572 10519.84       549.9019 226.9184 8.047342 222.8172 5.878379 4.101273 
9.965694 
1 1 1 2   25  15 o 57.33714 3.173313  708.2758       74.78905 592.0103       
111.3626 803.7955       100.9393 52.92312 5.012045 61.75115 3.893466 -8.828033 
6.346627 
1 1 1 2   25  16 o 138.3828 2.940572  4013.915       167.8026 4172.318       
265.6165 3908.706       216.4707 140.5833 4.500310 136.1822 3.786168 4.401108 
5.881145 
1 1 1 2   25  17 o 42.39122 5.365054  380.3754       95.48365 0.000000       
0.000000 380.3754       95.48365 ?        ?        42.39122 5.365054 ? ? 
1 1 1 2   25  18 o 186.3445 4.718835  7415.640       354.4717 7488.481       
444.6346 7288.607       587.1763 187.9642 5.634421 184.7249 7.571189 3.239273 
9.437670 
1 1 1 2   25  19 o 95.43958 2.618986  1920.914       104.6317 1922.848       
142.6598 1918.662       153.9248 95.50824 3.557801 95.37093 3.844267 0.1373138 
5.237971 
1 1 1 2   25  20 o 155.8635 2.948427  5061.943       183.1385 5354.335       
316.8415 4915.243       224.4270 159.0511 4.744894 152.6759 3.501269 6.375137 
5.896855 
1 1 1 2   25  21 o 170.3877 2.679504  6139.370       187.7096 6084.964       
296.4617 6175.777       242.5139 169.6534 4.162241 171.1220 3.375607 -1.468628 
5.359008 
1 1 1 2   25  22 o 152.6850 2.230590  4840.520       129.6888 5096.532       
243.9307 4739.638       153.1233 155.3136 3.740917 150.0564 2.430568 5.257156 
4.461180 
1 1 1 2   25  23 o 24.30770 5.357101  128.5447       60.67038 106.6777       
95.26255 143.4668       78.69391 23.18282 8.022812 25.43258 7.101311 -2.249756 
10.71420 
1 1 1 2   25  24 o 58.63126 2.966499  728.2574       71.88267 732.7536       
112.0990 725.1176       93.67794 58.73359 4.546073 58.52895 3.812305 0.2046394 
5.932997 
1 1 1 2   25  25 o 78.31021 2.453022  1278.434       78.90596 1386.320       
127.4383 1211.359       100.4842 80.89926 3.752119 75.72117 3.160834 5.178093 
4.906044 
1 1 1 2   25  26 o 139.7693 2.342034  4069.275       126.7107 4300.780       
231.7508 3970.559       151.3337 142.3539 3.877688 137.1846 2.627552 5.169296 
4.684068 
1 1 1 2   25  27 o 81.21385 2.708529  1386.456       89.19669 1460.561       
148.2205 1344.383       111.6831 82.77676 4.265020 79.65094 3.339777 3.125816 
5.417057 
1 1 1 2   25  28 o 97.51320 2.345791  1941.801       89.30867 2224.938       
163.5587 1821.520       106.6038 102.2182 3.811240 92.80819 2.735945 9.410019 
4.691583 
1 1 1 2   25  29 o 37.30111 4.803284  345.8674       67.75658 214.1234       
111.1550 423.7647       85.47209 30.21156 8.441139 44.39066 4.586209 -14.17910 
9.606567 
1 1 1 2   25  30 o 42.90518 3.894102  378.7170       67.83538 502.8827       
115.3082 313.0001       83.88766 47.89763 5.734127 37.91272 5.270285 9.984909 
7.788203 
1 1 1 2   25  31 o 18.56320 5.425339  38.49827       66.83240 -0.6201645     
119.3492 56.36810       80.66572 18.55646 8.105663 18.56993 7.213559 
-0.1347160E-01 10.85068 
1 1 1 2   25  32 o 54.23318 3.811210  627.3273       81.31612 714.0850       
146.1201 588.4050       97.87142 56.44477 6.166054 52.02159 4.481190 4.423187 
7.622420 
1 1 1 2   25  33 o 38.38313 4.596601  338.0684       68.39473 345.3531       
116.6593 334.2531       84.42643 37.90604 7.598440 38.86021 5.174809 
-0.9541664     9.193201 
1 1 1 2   25  34 o 70.01285 3.320417  1069.340       91.82081 1117.585       
160.6147 1045.918       111.9119 70.61093 5.417943 69.41476 3.840127 1.196175 
6.640834 
1 1 1 2   25  35 o 92.85022 2.849518  1899.830       101.3055 1852.163       
184.1484 1920.517       121.3124 91.20357 4.809249 94.49686 3.057800 -3.293297 
5.699036 
1 1 1 2   25  36 o 32.97202 5.866684  268.5572       75.80901 336.4813       
140.0366 240.3993       90.16332 34.89534 9.362226 31.04871 7.072527 3.846628 
11.73337 
1 1 1 2   25  37 o 96.66585 3.649580  2112.391       127.4773 2265.261       
257.2390 2062.629       146.7663 96.62444 6.341191 96.70725 3.614834 
-0.8280945E-01 7.299159 
1 1 1 2   26  0  o 28.17741 3.974550  173.7478       45.43241 164.3415       
70.53725 180.4167       59.39274 27.19939 6.296410 29.15543 4.852158 -1.956039 
7.949101 
1 1 1 2   26  1  o 65.74282 2.344032  911.3243       63.00955 912.5227       
101.3499 910.5692       80.44596 65.74320 3.671924 65.74244 2.914603 
0.7629395E-03  4.688064 
1 1 1 2   26  2  o 94.48625 2.471247  1846.169       95.70209 2048.589       
156.1880 1724.486       121.0978 98.51448 3.776320 90.45802 3.188676 8.056465 
4.942493 
1 1 1 2   26  3  o 96.43622 2.195511  1959.166       88.87277 1949.248       
126.7707 1968.750       124.6269 96.19254 3.139053 96.67991 3.070411 
-0.4873734     4.391023 
1 1 1 2   26  4  o 167.4890 2.716966  5918.131       191.0314 5954.050       
268.7462 5881.445       271.5948 168.0096 3.810037 166.9684 3.874434 1.041214 
5.433933 
1 1 1 2   26  5  o 125.9350 2.403601  3353.789       124.9331 3412.210       
163.2043 3271.099       194.1658 127.3086 3.053479 124.5613 3.712876 2.747284 
4.807201 
1 1 1 2   26  6  o 85.00418 2.127726  1525.108       75.70497 1405.012       
107.9152 1641.484       106.2307 81.68929 3.146579 88.31906 2.864946 -6.629768 
4.255453 
1 1 1 2   26  7  f 70.42037 2.558314  1045.388       75.54082 1037.247       
109.3851 1052.810       104.4475 70.15089 3.714037 70.68985 3.519348 
-0.5389557     5.116628 
1 1 1 2   26  8  o 16.49419 7.578421  -88.49375      120.7280 -88.49375      
120.7280 0.000000       0.000000 16.49419 7.578421 ?        ?        ? ? 
1 1 1 2   26  9  o 138.2484 2.806505  4039.145       154.5972 4001.853       
263.4318 4058.735       190.9339 137.6611 4.558039 138.8357 3.275691 -1.174622 
5.613009 
1 1 1 2   26  10 o 88.79079 2.459704  1658.679       91.46127 1688.104       
134.7048 1633.511       124.5793 89.51102 3.584491 88.07056 3.369274 1.440460 
4.919409 
1 1 1 2   26  11 o 94.39214 2.583766  1872.927       101.2050 1907.277       
156.0624 1847.997       132.9506 95.11124 3.908297 93.67302 3.380623 1.438225 
5.167533 
1 1 1 2   26  12 f 64.05872 2.884684  844.7088       75.47787 953.6741       
124.7318 781.7579       94.80555 67.21281 4.420244 60.90461 3.707700 6.308205 
5.769367 
1 1 1 2   26  13 o 137.5621 3.202473  3931.887       176.0273 4203.918       
303.5622 3794.076       216.0619 140.9730 5.129003 134.1512 3.836231 6.821777 
6.404946 
1 1 1 2   26  14 o 145.4616 3.030335  4442.943       182.7923 4610.582       
283.7274 4323.989       239.0030 147.7398 4.574301 143.1834 3.975864 4.556396 
6.060670 
1 1 1 2   26  15 o 81.57944 2.779756  1405.116       94.67368 1390.219       
141.1602 1417.296       127.6365 81.16459 4.142541 81.99429 3.707766 
-0.8296967     5.559512 
1 1 1 2   26  16 f 136.5011 3.118408  3935.713       178.6338 3782.479       
251.1639 4092.569       254.1146 133.8006 4.471160 139.2015 4.348172 -5.400879 
6.236816 
1 1 1 2   26  17 o 39.83876 4.988164  345.3974       80.53333 433.2448       
116.7692 265.7065       111.2163 45.13313 6.162458 34.54439 7.845460 10.58874 
9.976329 
1 1 1 2   26  18 o 162.7266 3.061053  5623.447       204.7101 5468.346       
322.0329 5728.623       265.1849 160.7122 4.772792 164.7411 3.834140 -4.028885 
6.122106 
1 1 1 2   26  19 o 72.18074 6.589595  1113.169       199.6913 0.000000       
0.000000 1113.169       199.6913 ?        ?        72.18074 6.589595 ? ? 
1 1 1 2   26  20 o 53.35598 4.022998  626.4924       85.85680 414.7112       
122.1927 832.9996       120.6615 44.01502 6.612494 62.69694 4.583989 -18.68192 
8.045996 
1 1 1 2   26  21 o 15.75572 4.979702  -37.26931      66.98289 -41.38867      
89.18826 -31.93965      101.4477 14.99104 6.746870 16.52041 7.325947 -1.529366 
9.959405 
1 1 1 2   26  22 o 40.50494 3.855014  334.0060       63.98531 453.8624       
103.3680 259.5532       81.46975 46.14061 5.336100 34.86927 5.565121 11.27134 
7.710028 
1 1 1 2   26  23 o 103.4301 2.351462  2227.940       97.89886 2373.856       
165.9834 2150.100       121.2308 105.9011 3.733234 100.9590 2.860150 4.942055 
4.702924 
1 1 1 2   26  24 o 119.3082 2.439910  3024.579       120.5157 2929.846       
184.9667 3094.462       158.8652 117.5943 3.746525 121.0222 3.126692 -3.427917 
4.879820 
1 1 1 2   26  25 o 115.6903 2.244866  2851.427       107.5451 2691.863       
163.6214 2972.794       142.6998 112.7398 3.456878 118.6408 2.864905 -5.901016 
4.489731 
1 1 1 2   26  26 o 44.84982 3.411022  431.9628       62.54116 424.6035       
100.0480 436.6830       80.12594 44.43211 5.363307 45.26753 4.216065 
-0.8354187     6.822043 
1 1 1 2   26  27 o 78.38608 2.758495  1327.915       87.20440 1237.554       
142.1330 1382.463       110.4324 76.04143 4.452108 80.73073 3.258208 -4.689301 
5.516991 
1 1 1 2   26  28 o 97.19255 2.772256  1976.557       109.1210 2172.727       
183.4254 1869.098       135.7573 100.6594 4.340364 93.72571 3.450052 6.933685 
5.544512 
1 1 1 2   26  29 o 99.78903 2.189095  2048.367       85.54105 2305.771       
155.2102 1936.073       102.5157 103.9487 3.556497 95.62942 2.553406 8.319237 
4.378191 
1 1 1 2   26  30 o 43.41415 4.198302  438.1290       69.64892 361.2723       
114.0001 483.9027       87.97770 39.50927 7.133811 47.31903 4.428512 -7.809765 
8.396605 
1 1 1 2   26  31 o 57.57689 3.400910  732.1789       78.28561 692.4633       
130.2645 754.6326       97.94662 55.97950 5.542656 59.17427 3.942553 -3.194775 
6.801821 
1 1 1 2   26  32 o 43.69178 3.983018  406.6455       69.20439 485.9001       
122.7706 369.7345       83.78384 46.34933 6.309168 41.03423 4.863345 5.315102 
7.966036 
1 1 1 2   26  33 o 103.0527 3.315296  2288.654       129.8400 2454.209       
244.6988 2223.775       153.1828 104.6132 5.571426 101.4923 3.594992 3.120956 
6.630593 
1 1 1 2   26  34 o 16.63157 5.280998  -9.747722      70.59427 -25.56540      
131.9653 -3.406600      83.55476 17.96048 8.138233 15.30265 6.732380 2.657824 
10.56200 
1 1 1 2   26  35 o 47.49394 4.935532  582.4409       82.79047 437.5305       
147.1784 649.5200       100.1354 40.84018 8.833766 54.14771 4.404825 -13.30752 
9.871064 
1 1 1 2   26  36 o 76.10884 3.357490  1305.083       98.71452 1323.130       
177.7819 1297.039       118.6930 75.38907 5.616947 76.82861 3.679791 -1.439537 
6.714980 
1 1 1 2   26  37 o 27.77763 5.874237  202.4975       70.25717 275.6331       
123.7058 167.6755       85.35973 30.61057 9.021527 24.94469 7.525866 5.665880 
11.74847 
1 1 1 2   27  0  o 71.55807 2.308516  1091.128       68.03938 1029.192       
105.3774 1135.410       89.10186 69.75311 3.598363 73.36304 2.892881 -3.609932 
4.617031 
1 1 1 2   27  1  o 99.49799 2.335624  2055.812       95.31110 2249.494       
154.8837 1937.766       120.9168 103.1557 3.576299 95.84033 3.005104 7.315323 
4.671248 
1 1 1 2   27  2  o 61.12459 2.690718  799.8852       67.95306 724.1350       
102.7101 858.8537       90.62141 58.47198 4.183950 63.77719 3.384437 -5.305210 
5.381436 
1 1 1 2   27  3  o 95.02769 2.148056  1879.205       84.86036 1738.290       
111.0240 2077.207       131.6050 90.81570 2.911905 99.23967 3.158699 -8.423965 
4.296111 
1 1 1 2   27  4  o 121.0886 2.349857  3075.904       119.1180 2859.159       
161.2822 3336.030       176.6862 116.4255 3.299586 125.7517 3.346647 -9.326218 
4.699714 
1 1 1 2   27  5  o 24.17569 4.240819  125.6421       48.94660 207.4815       
67.81163 36.62716       70.72195 31.26532 5.166096 17.08607 6.726784 14.17925 
8.481637 
1 1 1 2   27  6  o 43.10316 3.367478  397.6135       60.19768 359.8207       
89.67082 428.6186       81.21991 41.18349 5.186198 45.02282 4.296856 -3.839333 
6.734955 
1 1 1 2   27  7  o 59.01841 4.374256  736.4827       108.3854 0.000000       
0.000000 736.4827       108.3854 ?        ?        59.01841 4.374256 ? ? 
1 1 1 2   27  8  o 67.43384 2.762965  962.1830       77.73179 938.2422       
115.8166 981.8073       104.8573 66.64578 4.139227 68.22189 3.660969 -1.576111 
5.525929 
1 1 1 2   27  9  o 124.1576 2.819063  3137.627       138.7861 3606.688       
246.7609 2920.596       167.8504 130.6047 4.500269 117.7105 3.396475 12.89427 
5.638126 
1 1 1 2   27  10 o 31.35785 4.978729  214.1428       63.82577 262.6570       
96.77297 176.7919       84.91216 34.49278 6.926492 28.22292 7.153647 6.269855 
9.957458 
1 1 1 2   27  11 o 92.12927 2.883477  1793.780       111.0016 1775.568       
164.7499 1808.920       150.2151 91.67324 4.280590 92.58530 3.864493 
-0.9120636     5.766953 
1 1 1 2   27  12 o 148.7974 3.104870  4581.684       175.0591 4908.275       
333.2314 4457.195       205.7355 152.1737 5.215877 145.4210 3.369792 6.752701 
6.209740 
1 1 1 2   27  13 o 40.29203 3.897094  343.3761       65.68829 386.6763       
95.73535 304.8552       90.29749 42.69749 5.340612 37.88657 5.676903 4.810925 
7.794188 
1 1 1 2   27  14 o 85.90302 2.768959  1544.097       98.33576 1635.482       
154.9331 1482.448       127.2526 87.97610 4.194696 83.82994 3.615669 4.146164 
5.537919 
1 1 1 2   27  15 o 31.21820 5.288691  208.1005       70.13629 315.1287       
107.1207 127.7920       92.79083 37.80548 7.012006 24.63091 7.919140 13.17458 
10.57738 
1 1 1 2   27  16 o 161.8751 3.147354  5505.506       207.4170 5708.030       
340.1503 5385.626       261.7016 164.0764 4.937938 159.6737 3.903859 4.402771 
6.294708 
1 1 1 2   27  17 o 97.55182 3.001562  2007.751       122.6871 1928.216       
167.2243 2100.471       180.5528 95.47839 4.171722 99.62525 4.316740 -4.146866 
6.003125 
1 1 1 2   27  18 o 209.6298 4.882169  9455.056       419.1497 9318.232       
667.6074 9544.082       538.5151 207.8520 7.650468 211.4076 6.067341 -3.555634 
9.764338 
1 1 1 2   27  19 o 109.0842 3.114015  2516.717       142.1334 2588.686       
211.0219 2456.955       192.2948 110.4728 4.549810 107.6957 4.252950 2.777130 
6.228030 
1 1 1 2   27  20 o 20.22036 5.681659  48.60452       72.90911 19.01645       
108.0461 73.34139       98.79231 19.15538 8.014040 21.28535 8.056065 -2.129965 
11.36332 
1 1 1 2   27  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   27  22 o 70.29903 3.175301  1049.401       93.54594 1070.729       
137.0306 1030.787       128.0168 70.94515 4.600616 69.65291 4.377727 1.292244 
6.350603 
1 1 1 2   27  23 o 14.22573 4.498855  -64.24202      56.67049 22.54504       
89.34268 -122.6670      73.30453 17.74550 7.346883 10.70596 5.194428 7.039538 
8.997709 
1 1 1 2   27  24 o 51.63886 3.212484  580.7176       67.85928 502.8049       
104.0192 638.4442       89.53607 48.45070 5.113694 54.82703 3.889774 -6.376331 
6.424967 
1 1 1 2   27  25 o 71.97668 2.702901  1102.882       80.49072 1093.489       
124.5759 1109.614       105.4596 71.63329 4.142287 72.32007 3.473348 
-0.6867828     5.405802 
1 1 1 2   27  26 o 85.84863 2.459160  1555.216       86.39014 1613.264       
139.7584 1519.321       109.9015 87.02814 3.825070 84.66912 3.091716 2.359016 
4.918320 
1 1 1 2   27  27 o 76.77605 2.589905  1224.264       80.90422 1385.373       
135.1122 1134.208       101.0161 80.50090 3.997744 73.05119 3.293704 7.449715 
5.179811 
1 1 1 2   27  28 o 86.58800 2.801451  1646.242       98.19567 1428.707       
154.8640 1792.510       126.9875 81.41638 4.530643 91.75961 3.296329 -10.34322 
5.602902 
1 1 1 2   27  29 o 58.46441 3.216408  747.2492       75.92815 709.3958       
123.8830 770.0244       96.09227 57.00902 5.175939 59.91980 3.819787 -2.910782 
6.432816 
1 1 1 2   27  30 o 22.53965 4.982903  115.5907       57.04595 44.65711       
87.48516 168.0602       75.24226 18.28177 7.378277 26.79752 6.699129 -8.515751 
9.965807 
1 1 1 2   27  31 o 83.33569 2.792785  1497.312       95.27606 1517.417       
152.9636 1484.568       121.7854 83.52885 4.361869 83.14252 3.488937 0.3863297 
5.585570 
1 1 1 2   27  32 o 70.92338 3.366974  1041.609       91.67117 1274.160       
174.7859 953.3655       107.6680 75.50266 5.513981 66.34409 3.865497 9.158569 
6.733948 
1 1 1 2   27  33 o 28.53943 5.136237  215.1623       68.88732 84.87352       
114.5240 289.0284       86.23144 21.35985 8.512242 35.71901 5.750257 -14.35916 
10.27247 
1 1 1 2   27  34 o 18.94539 5.612502  49.17617       71.00478 29.33887       
130.9211 57.44265       84.51400 19.57167 8.519641 18.31911 7.308654 1.252563 
11.22500 
1 1 1 2   27  35 o 13.62918 4.620030  -94.70599      70.89810 -152.4647      
131.5160 -71.04434      84.17679 14.52974 7.028367 12.72863 5.998397 1.801114 
9.240060 
1 1 1 2   27  36 o 38.34027 4.945852  376.4298       73.05450 349.1743       
123.4230 391.1284       90.63734 35.68396 8.373474 40.99657 5.265998 -5.312607 
9.891704 
1 1 1 2   28  0  o 62.87790 2.449500  845.4502       63.89759 772.9944       
95.43784 904.3163       86.02335 60.36161 3.766004 65.39418 3.133274 -5.032566 
4.898999 
1 1 1 2   28  1  o 19.61205 4.202823  73.48001       46.76158 -34.69521      
73.61264 146.6632       60.54721 13.57519 6.118473 25.64890 5.763607 -12.07371 
8.405645 
1 1 1 2   28  2  o 55.06091 2.782078  682.5582       60.04946 503.8535       
95.92883 797.7033       77.00231 48.65130 4.696516 61.47052 2.983719 -12.81922 
5.564157 
1 1 1 2   28  3  o 82.94384 2.088596  1444.621       72.53259 1549.960       
107.5300 1356.678       98.25008 85.69952 2.988632 80.18816 2.918393 5.511368 
4.177193 
1 1 1 2   28  4  o 47.53821 2.785465  477.0256       55.33179 545.5510       
80.58014 415.8878       76.11277 50.77478 3.780080 44.30164 4.092218 6.473145 
5.570930 
1 1 1 2   28  5  o 171.2821 2.768959  6175.855       197.3539 5969.289       
260.4008 6454.629       302.5100 168.0135 3.691639 174.5507 4.127995 -6.537216 
5.537919 
1 1 1 2   28  6  f 65.57671 2.632779  918.2621       71.60973 836.4835       
106.9219 984.7809       96.43149 62.85965 4.051500 68.29376 3.363248 -5.434113 
5.265557 
1 1 1 2   28  7  o 99.80013 5.647754  2123.939       236.6387 2123.939       
236.6387 0.000000       0.000000 99.80013 5.647754 ?        ?        ? ? 
1 1 1 2   28  8  o 123.8366 2.578228  3235.355       132.6250 3270.062       
203.3362 3209.659       174.9651 124.3584 3.894581 123.3148 3.379536 1.043541 
5.156455 
1 1 1 2   28  9  o 165.1389 3.040755  5753.439       202.8937 5851.496       
337.3610 5697.874       253.9545 166.0478 4.839304 164.2300 3.683192 1.817780 
6.081511 
1 1 1 2   28  10 o 53.61094 3.145372  601.9222       70.31200 709.1982       
105.4773 516.1286       94.32676 57.87261 4.341173 49.34927 4.552765 8.523338 
6.290744 
1 1 1 2   28  11 o 166.9387 3.793277  5949.955       261.9977 5789.989       
403.3958 6066.663       344.5623 164.7925 5.830623 169.0848 4.853827 -4.292328 
7.586554 
1 1 1 2   28  12 o 73.65865 2.853124  1165.790       86.49857 1035.111       
131.4852 1265.496       114.8503 69.89714 4.480623 77.42014 3.533452 -7.523003 
5.706247 
1 1 1 2   28  13 f 88.89862 2.694424  1676.826       99.91261 1605.289       
148.1329 1736.532       135.3291 87.11318 4.050315 90.68405 3.554523 -3.570869 
5.388848 
1 1 1 2   28  14 o 55.85003 3.225465  652.7111       73.56324 697.8857       
120.4603 625.8444       92.89766 57.31433 5.006126 54.38573 4.068562 2.928604 
6.450930 
1 1 1 2   28  15 o 93.31508 2.757072  1830.310       106.4333 1907.230       
166.7617 1777.442       138.2537 94.90575 4.185282 91.72440 3.590152 3.181351 
5.514143 
1 1 1 2   28  16 f 118.6858 3.336245  2984.967       165.2535 3045.388       
248.6358 2937.155       221.1747 119.6922 4.947876 117.6795 4.476676 2.012711 
6.672489 
1 1 1 2   28  17 o 16.43735 5.106465  -47.43651      72.76212 -139.7439      
107.0033 31.95844       99.23735 13.78935 6.592676 19.08535 7.800037 -5.295998 
10.21293 
1 1 1 2   28  18 o 54.65099 3.467446  634.6040       79.36405 647.8048       
116.8788 623.3100       108.1090 55.15582 5.047372 54.14616 4.755708 1.009655 
6.934892 
1 1 1 2   28  19 o 124.9855 3.560147  3334.395       186.4702 3135.237       
265.4503 3528.411       262.0009 121.2267 5.215622 128.7443 4.847254 -7.517616 
7.120294 
1 1 1 2   28  20 o 80.43414 3.064410  1371.616       102.1675 1391.914       
158.0264 1357.037       133.9207 80.87117 4.654326 79.99712 3.987442 0.8740540 
6.128821 
1 1 1 2   28  21 o 37.89625 4.830473  312.6334       74.85536 366.3943       
111.9903 269.2176       100.6400 41.18571 6.476715 34.60678 7.168406 6.578930 
9.660946 
1 1 1 2   28  22 o 123.5649 3.171263  3248.238       164.3341 3367.557       
239.3634 3141.854       226.0173 125.6865 4.536180 121.4433 4.432914 4.243195 
6.342527 
1 1 1 2   28  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   28  24 o 70.30086 3.132051  1055.682       92.40710 1090.449       
132.7897 1023.036       128.6742 71.42258 4.428431 69.17912 4.430345 2.243462 
6.264101 
1 1 1 2   28  25 o 47.26684 3.378987  476.0634       66.36185 508.6925       
102.7128 452.6832       86.94530 48.58373 5.035640 45.94994 4.506944 2.633785 
6.757974 
1 1 1 2   28  26 o 87.38966 2.688123  1590.979       93.80348 1758.444       
162.9904 1508.041       114.7035 90.54433 4.287675 84.23499 3.243434 6.309334 
5.376246 
1 1 1 2   28  27 o 82.96486 2.532388  1434.219       86.40802 1642.908       
140.0944 1306.083       109.7757 87.62804 3.808017 78.30167 3.339307 9.326363 
5.064776 
1 1 1 2   28  28 o 116.2968 2.444820  2882.790       107.8837 2906.266       
201.5988 2873.369       127.7088 116.1902 4.132754 116.4035 2.613219 
-0.2133255     4.889639 
1 1 1 2   28  29 o 56.31687 3.298676  686.5391       75.49856 704.0795       
123.8021 676.1534       95.26268 56.64388 5.205903 55.98986 4.052607 0.6540184 
6.597351 
1 1 1 2   28  30 o 50.29448 3.561889  556.3624       72.60258 555.3947       
118.9245 556.9373       91.66743 49.95473 5.670427 50.63422 4.312131 
-0.6794891     7.123778 
1 1 1 2   28  31 o 84.63194 2.472364  1535.887       85.40876 1568.484       
138.4775 1515.874       108.5047 85.11253 3.875313 84.15134 3.071203 0.9611893 
4.944728 
1 1 1 2   28  32 o 33.16145 5.265789  300.2612       71.79176 161.7398       
126.1147 366.6696       87.32101 25.75644 9.199287 40.56647 5.127109 -14.81003 
10.53158 
1 1 1 2   28  33 o 20.90558 5.794292  87.25057       70.97973 67.42162       
130.7809 95.53041       84.50952 21.08753 8.819325 20.72362 7.517631 0.3639107 
11.58858 
1 1 1 2   28  34 o 82.39890 3.002242  1542.552       98.50364 1352.354       
161.0591 1656.211       124.5041 77.46883 4.951984 87.32897 3.395834 -9.860146 
6.004485 
1 1 1 2   28  35 o 22.88006 5.546035  139.8392       73.52041 3.347875       
134.4492 198.0627       87.81219 18.22868 8.239458 27.53144 7.425991 -9.302759 
11.09207 
1 1 1 2   28  36 o 28.03920 5.893758  166.9798       76.18793 411.9940       
142.7277 69.34472       90.09808 37.62656 9.117689 18.45183 7.470828 19.17473 
11.78752 
1 1 1 2   29  0  o 27.61053 4.920619  178.1719       59.17876 110.6961       
87.52018 235.0089       80.32483 22.83958 7.697877 32.38148 6.131284 -9.541901 
9.841237 
1 1 1 2   29  1  o 13.72636 4.293827  -35.25569      47.37596 20.87977       
80.89852 -64.55624      58.44668 16.85789 6.985948 10.59484 4.994429 6.263053 
8.587653 
1 1 1 2   29  2  f 21.32341 4.744619  90.08486       47.74871 139.0731       
76.19044 58.40007       61.27452 24.87685 7.000888 17.76997 6.405717 7.106882 
9.489239 
1 1 1 2   29  3  o 68.26364 2.516912  960.5457       69.98789 1097.562       
116.7169 883.6191       87.45518 71.90195 3.866467 64.62534 3.223322 7.276604 
5.033823 
1 1 1 2   29  4  o 62.73962 2.326678  833.3698       61.23121 804.6104       
87.34705 861.1585       85.86013 61.66207 3.374048 63.81717 3.204609 -2.155106 
4.653356 
1 1 1 2   29  5  o 94.54913 2.496063  1897.665       98.18465 1849.787       
148.1470 1935.167       131.1158 93.42580 3.777000 95.67248 3.264292 -2.246681 
4.992127 
1 1 1 2   29  6  o 69.28097 4.458502  1020.405       129.6826 0.000000       
0.000000 1020.405       129.6826 ?        ?        69.28097 4.458502 ? ? 
1 1 1 2   29  7  o 127.4142 2.804700  3431.999       148.7660 3509.426       
226.6173 3373.363       197.2090 128.6002 4.197322 126.2282 3.721272 2.372040 
5.609401 
1 1 1 2   29  8  o 87.40686 2.525333  1607.015       91.65730 1675.378       
141.6588 1557.786       120.2117 88.95447 3.793123 85.85925 3.334884 3.095222 
5.050666 
1 1 1 2   29  9  f 108.2569 2.734977  2400.063       111.2426 2666.056       
216.4322 2304.564       129.6835 112.0031 4.602701 104.5107 2.955596 7.492409 
5.469954 
1 1 1 2   29  10 o 20.57033 5.111268  74.44806       60.01803 -4.798928      
93.96741 129.0533       78.00155 16.90507 7.286021 24.23558 7.170364 -7.330509 
10.22254 
1 1 1 2   29  11 o 174.6298 3.760843  6536.783       265.2748 6386.291       
436.6144 6624.843       333.9881 172.6347 6.024086 176.6250 4.504015 -3.990356 
7.521686 
1 1 1 2   29  12 o 139.1295 2.798425  4094.507       161.8822 4138.729       
247.2327 4061.319       214.1803 139.7029 4.215232 138.5562 3.681923 1.146759 
5.596850 
1 1 1 2   29  13 o 72.94655 2.851475  1123.732       85.95325 1148.923       
134.6225 1106.396       111.6795 73.57715 4.358087 72.31596 3.678414 1.261192 
5.702951 
1 1 1 2   29  14 o 168.5961 3.922354  6041.411       263.9355 6183.914       
451.2307 5967.300       325.4091 169.6421 6.335577 167.5501 4.626003 2.091949 
7.844707 
1 1 1 2   29  15 o 96.17290 2.750309  1939.103       107.9958 2044.939       
176.4288 1875.684       136.5715 98.15768 4.281209 94.18812 3.453702 3.969559 
5.500618 
1 1 1 2   29  16 o 88.91475 2.804930  1689.151       103.0885 1592.381       
157.7467 1761.285       136.1947 86.58941 4.339268 91.24008 3.555458 -4.650673 
5.609859 
1 1 1 2   29  17 o 95.44051 2.808002  1926.427       111.2792 1966.691       
171.2448 1896.998       146.4039 96.23415 4.238472 94.64688 3.684407 1.587265 
5.616004 
1 1 1 2   29  18 o 167.2321 3.294079  5952.794       230.9321 6040.030       
336.9105 5875.488       317.1584 168.3292 4.767340 166.1349 4.547120 2.194305 
6.588158 
1 1 1 2   29  19 o 28.11408 5.093549  138.3815       73.92786 350.0593       
113.8069 -16.14478      97.23711 39.56872 7.109170 16.65944 7.296345 22.90928 
10.18710 
1 1 1 2   29  20 o 21.31663 5.703883  67.78735       75.24989 -25.45729      
121.1683 126.3294       96.00874 18.28551 8.070468 24.34774 8.062547 -6.062225 
11.40777 
1 1 1 2   29  21 o 95.75942 2.879907  1945.017       115.1921 1686.855       
158.2995 2235.581       167.9400 88.97414 4.237764 102.5447 3.900875 -13.57057 
5.759815 
1 1 1 2   29  22 o 74.72206 3.253322  1200.623       101.1546 1146.005       
151.4243 1244.638       135.9344 73.07223 4.935876 76.37189 4.239523 -3.299660 
6.506645 
1 1 1 2   29  23 o 88.91469 2.869462  1668.714       106.1923 1825.639       
163.6212 1554.510       139.5840 92.42844 4.216528 85.40093 3.893088 7.027512 
5.738923 
1 1 1 2   29  24 o 20.19663 5.763204  44.14101       78.06061 -14.99127      
116.6942 92.02992       105.0158 18.10165 7.960053 22.29162 8.336403 -4.189974 
11.52641 
1 1 1 2   29  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 2   29  26 o 49.93392 4.655795  551.2077       96.78362 656.5558       
142.4750 460.9409       131.8832 54.48544 6.228441 45.38240 6.921865 9.103035 
9.311589 
1 1 1 2   29  27 o 80.41055 2.529746  1390.391       82.99024 1355.444       
133.1740 1412.579       106.1141 79.38906 3.995579 81.43203 3.103837 -2.042969 
5.059492 
1 1 1 2   29  28 o 59.07024 3.029323  717.3308       71.30556 877.8298       
126.5902 642.7413       86.29844 63.45961 4.751426 54.68087 3.759140 8.778732 
6.058645 
1 1 1 2   29  29 o 27.49116 5.530802  177.0168       65.27031 210.1271       
107.0402 157.4185       82.35214 29.27711 8.317065 25.70520 7.292840 3.571909 
11.06160 
1 1 1 2   29  30 o 16.23852 5.046183  -2.480479      64.63908 -11.27843      
106.7810 2.608087       81.20842 16.96418 7.520238 15.51286 6.730666 1.451315 
10.09237 
1 1 1 2   29  31 o 46.24633 3.701046  480.2570       70.13821 462.5319       
110.4608 492.2309       90.78855 45.20029 5.820868 47.29237 4.572578 -2.092072 
7.402093 
1 1 1 2   29  32 o 59.08319 3.180826  761.3996       75.41861 804.1069       
128.0486 738.7149       93.32317 59.92635 5.089534 58.24003 3.816708 1.686321 
6.361652 
1 1 1 2   29  33 o 25.41968 6.021554  140.4862       72.08418 254.8956       
131.5831 91.42811       86.16379 30.49872 9.372826 20.34064 7.562182 10.15808 
12.04311 
1 1 1 2   29  34 o 44.05574 4.986519  488.1447       80.77833 454.0294       
144.8611 503.5398       97.31248 41.06682 8.671017 47.04466 4.926963 -5.977840 
9.973039 
1 1 1 2   29  35 o 42.76188 4.911291  450.8913       79.78019 494.8273       
142.2807 430.7422       96.35255 42.68784 8.232766 42.83592 5.357673 
-0.1480827     9.822581 
1 1 1 2   30  0  o 94.81114 3.055129  1939.073       121.1153 1816.109       
175.4273 2051.068       167.4191 91.80732 4.551357 97.81496 4.076812 -6.007637 
6.110258 
1 1 1 2   30  1  o 64.59857 2.987265  912.2012       79.18974 781.1711       
119.6021 1014.483       105.6699 60.21629 4.730924 68.98086 3.648747 -8.764568 
5.974529 
1 1 1 2   30  2  o 18.24753 5.172302  32.23618       63.03981 -19.48240      
91.25042 79.45611       87.19153 15.83399 6.994076 20.66108 7.621925 -4.827089 
10.34460 
1 1 1 2   30  3  o 93.20570 2.841063  1925.815       103.4339 1636.286       
174.9691 2081.348       128.2412 87.30431 4.773608 99.10709 3.082080 -11.80279 
5.682126 
1 1 1 2   30  4  o 58.64008 2.303801  729.4246       56.67566 711.8327       
81.06906 746.2419       79.26438 57.93476 3.333013 59.34539 3.181355 -1.410633 
4.607602 
1 1 1 2   30  5  o 99.72394 2.600931  2121.370       106.9580 2060.963       
166.4281 2163.875       139.6054 98.39336 4.028857 101.0545 3.290543 -2.661156 
5.201862 
1 1 1 2   30  6  o 50.89334 5.965075  559.5995       127.4547 559.5995       
127.4547 0.000000       0.000000 50.89334 5.965075 ?        ?        ? ? 
1 1 1 2   30  7  o 30.43007 4.766580  207.1151       59.36163 242.3380       
87.29269 176.8143       80.96410 32.89898 6.552361 27.96115 6.924427 4.937824 
9.533159 
1 1 1 2   30  8  o 117.6551 2.834769  2915.036       138.5226 3113.755       
214.8088 2773.570       181.2419 120.9775 4.229299 114.3326 3.775805 6.644928 
5.669539 
1 1 1 2   30  9  o 65.78561 2.739438  920.2732       75.50815 874.5929       
108.3462 963.4117       105.2887 64.16734 4.021802 67.40388 3.720644 -3.236534 
5.478876 
1 1 1 2   30  10 o 96.20851 2.579238  1890.684       101.6055 2286.862       
167.8841 1661.698       127.6348 103.8208 3.851646 88.59623 3.431428 15.22456 
5.158476 
1 1 1 2   30  11 o 62.51529 2.936419  813.1421       76.00963 935.8391       
120.2629 731.5277       98.08394 66.32907 4.318657 58.70151 3.979878 7.627563 
5.872838 
1 1 1 2   30  12 o 21.46474 5.279099  63.02129       64.43797 167.2081       
98.52071 -14.86919      85.18506 27.32605 8.050174 15.60342 6.831564 11.72263 
10.55820 
1 1 1 2   30  13 o 57.26211 3.297087  697.0206       79.09655 729.1472       
116.5429 669.5851       107.6987 58.46566 4.747949 56.05856 4.576036 2.407104 
6.594174 
1 1 1 2   30  14 o 118.8188 2.745544  2973.292       134.1674 3107.928       
214.3167 2886.522       172.0528 120.8962 4.222449 116.7414 3.510410 4.154793 
5.491088 
1 1 1 2   30  15 o 25.54249 5.807294  139.2920       69.47167 158.3511       
110.0923 126.6810       89.55336 26.87867 8.624291 24.20631 7.779478 2.672356 
11.61459 
1 1 1 2   30  16 o 44.13472 3.893485  415.3939       71.45950 439.7878       
110.0493 397.6098       93.96410 45.19191 5.800265 43.07753 5.195559 2.114380 
7.786971 
1 1 1 2   30  17 o 93.95369 2.883097  1883.203       113.3765 1755.593       
162.6679 2003.756       158.1064 90.79030 4.267598 97.11707 3.877707 -6.326775 
5.766195 
1 1 1 2   30  18 o 60.62351 3.072558  775.3233       77.70211 859.6664       
118.3596 711.4408       103.0077 63.46834 4.441887 57.77869 4.246420 5.689651 
6.145115 
1 1 1 2   30  19 o 84.17949 2.967172  1524.756       103.7990 1380.331       
153.2245 1647.248       141.1105 80.34930 4.542208 88.00968 3.819004 -7.660378 
5.934345 
1 1 1 2   30  20 o 51.56267 3.827404  570.6800       82.47044 653.4000       
121.1478 499.2414       112.5841 55.07044 5.239842 48.05490 5.580336 7.015541 
7.654808 
1 1 1 2   30  21 o 19.02879 5.579734  23.95884       74.53665 -18.39852      
105.6443 65.94365       105.1787 17.14352 7.555069 20.91407 8.213079 -3.770550 
11.15947 
1 1 1 2   30  22 o 95.83345 3.245512  1978.885       129.9198 1913.325       
191.6781 2034.601       176.7028 94.23447 4.844888 97.43243 4.319774 -3.197952 
6.491024 
1 1 1 2   30  23 o 70.01444 3.374568  1061.527       98.61204 1014.925       
145.5340 1101.086       134.0854 68.46963 5.062761 71.55926 4.463103 -3.089630 
6.749136 
1 1 1 2   30  24 o 24.05608 5.907904  112.2209       77.07697 191.5306       
112.9798 43.17092       105.4191 28.51913 8.669096 19.59303 8.028704 8.926107 
11.81581 
1 1 1 2   30  25 o 54.49385 4.422208  658.0490       100.5738 568.5653       
139.2964 755.4973       145.3633 50.47421 6.573420 58.51349 5.917250 -8.039280 
8.844417 
1 1 1 2   30  26 o 62.34222 3.980525  855.8892       104.0810 909.5122       
150.3407 806.5337       144.2345 64.24389 5.573986 60.44055 5.684102 3.803337 
7.961051 
1 1 1 2   30  27 o 16.26961 7.606601  -92.46558      128.4790 -92.46558      
128.4790 0.000000       0.000000 16.26961 7.606601 ?        ?        ? ? 
1 1 1 2   30  28 o 58.12218 4.368097  763.7489       104.4893 589.8362       
145.0269 951.4722       150.6753 50.79074 6.801194 65.45361 5.483143 -14.66287 
8.736195 
1 1 1 2   30  29 o 18.29481 5.320570  38.59615       63.36806 66.30544       
106.2410 23.29467       78.94894 20.25777 8.149377 16.33185 6.842627 3.925922 
10.64114 
1 1 1 2   30  30 o 44.94701 3.884767  453.9892       70.66125 452.9386       
115.9017 454.6107       89.14460 44.49950 6.203769 45.39452 4.677488 
-0.8950233     7.769533 
1 1 1 2   30  31 o 19.45837 5.505248  62.90515       65.59512 86.08427       
110.3241 50.23044       81.58133 21.11863 8.373961 17.79812 7.148971 3.320505 
11.01050 
1 1 1 2   30  32 o 31.15910 5.390176  214.8071       70.15705 388.7487       
121.7661 128.3714       85.83633 39.45915 7.622256 22.85906 7.623466 16.60010 
10.78035 
1 1 1 2   30  33 o 58.69644 3.675876  782.1369       83.43752 805.2117       
150.3794 771.8736       100.2912 58.35463 6.138100 59.03825 4.046229 
-0.6836128     7.351751 
1 1 1 2   30  34 o 32.85361 5.904012  277.0088       76.45980 370.5363       
140.4373 237.6063       91.15389 35.61244 9.294734 30.09479 7.282676 5.517651 
11.80802 
1 1 1 2   31  0  o 19.73360 5.194224  72.17600       57.77913 93.12215       
85.57261 54.62507       78.33084 21.17654 7.576302 18.29065 7.107708 2.885893 
10.38845 
1 1 1 2   31  1  o 43.79546 3.917964  429.8720       69.94707 373.8524       
108.0582 470.2733       91.76671 41.01656 6.275082 46.57437 4.693094 -5.557816 
7.835929 
1 1 1 2   31  2  o 21.86734 5.040488  82.24838       66.47334 -61.10069      
101.0669 191.5371       88.24686 15.10463 6.937435 28.63006 7.314237 -13.52543 
10.08098 
1 1 1 2   31  3  o 28.54985 4.885562  156.9954       69.10410 346.0027       
107.2001 22.61269       90.39154 39.55302 6.455603 17.54669 7.334852 22.00633 
9.771124 
1 1 1 2   31  4  o 40.39934 4.368663  351.0589       73.30768 413.6408       
114.1415 307.1205       95.64035 43.37527 6.267908 37.42342 6.087217 5.951851 
8.737327 
1 1 1 2   31  5  f 48.30846 4.301612  513.4436       74.47501 503.9871       
150.1692 516.5281       85.76547 47.49246 7.531429 49.12446 4.158491 -1.632004 
8.603225 
1 1 1 2   31  6  o 79.85547 3.215822  1386.070       102.8803 1431.990       
128.9749 1305.737       170.5898 81.97655 3.747457 77.73438 5.227104 4.242180 
6.431644 
1 1 1 2   31  7  f 81.35513 2.520908  1385.718       83.51255 1495.524       
138.0149 1322.289       104.8954 83.74740 3.925326 78.96287 3.164131 4.784531 
5.041816 
1 1 1 2   31  8  o 141.0460 2.952459  4222.760       165.4780 4325.813       
285.5601 4170.659       203.0450 141.9569 4.791395 140.1350 3.451172 1.821930 
5.904918 
1 1 1 2   31  9  o 49.08778 3.255167  515.0483       67.00327 551.5106       
96.96519 481.7281       92.69297 50.75850 4.550176 47.41707 4.656216 3.341423 
6.510334 
1 1 1 2   31  10 o 116.0081 2.743112  2850.842       128.1617 2913.733       
214.8565 2816.104       159.6804 116.7751 4.382475 115.2412 3.300388 1.533852 
5.486224 
1 1 1 2   31  11 o 89.27588 2.780777  1698.586       103.8575 1675.065       
152.8378 1718.765       141.5627 88.64445 4.106768 89.90730 3.750377 -1.262848 
5.561553 
1 1 1 2   31  12 o 33.21537 4.996329  244.2840       67.18097 304.1917       
103.9476 201.3107       88.03850 36.71634 6.994867 29.71440 7.136178 7.001940 
9.992658 
1 1 1 2   31  13 o 59.96078 3.200280  776.0860       79.76618 689.7829       
116.5993 852.0068       109.3611 56.70321 4.897892 63.21834 4.120416 -6.515129 
6.400560 
1 1 1 2   31  14 o 121.7837 2.860895  3161.281       146.2231 3130.216       
208.9549 3191.090       204.6924 121.1693 4.107532 122.3980 3.983348 -1.228676 
5.721790 
1 1 1 2   31  15 o 13.24781 4.468731  -117.0424      68.39133 -122.2001      
100.1136 -112.5293      93.64954 13.43779 6.413179 13.05783 6.224898 0.3799648 
8.937462 
1 1 1 2   31  16 o 40.09353 4.903566  394.0645       76.13805 156.0654       
109.3372 618.1254       106.0873 26.49956 8.603916 53.68750 4.706642 -27.18794 
9.807133 
1 1 1 2   31  17 o 67.33989 2.969075  961.5690       83.61398 1079.098       
124.3491 864.5740       112.9650 71.07632 4.167147 63.60347 4.230426 7.472851 
5.938149 
1 1 1 2   31  18 o 92.94775 2.963041  1848.199       114.7424 1839.800       
172.9976 1854.795       153.3193 92.65172 4.447414 93.24379 3.916498 
-0.5920715     5.926082 
1 1 1 2   31  19 o 86.47845 2.824427  1603.341       101.4243 1558.553       
154.0204 1637.633       134.7706 85.28733 4.301448 87.66957 3.661571 -2.382240 
5.648855 
1 1 1 2   31  20 f 45.09153 4.107600  442.6689       77.57400 487.6054       
112.6791 402.1805       106.9569 47.30084 5.674081 42.88223 5.940902 4.418613 
8.215200 
1 1 1 2   31  21 o 51.19811 3.794140  570.1809       81.54561 573.0460       
116.2804 567.4083       114.3887 51.31401 5.397485 51.08221 5.333773 0.2318001 
7.588279 
1 1 1 2   31  22 o 64.70245 3.344095  898.4719       90.48864 993.2307       
135.2170 821.6151       121.7763 67.75890 4.753200 61.64599 4.705209 6.112904 
6.688191 
1 1 1 2   31  23 o 62.61983 3.410846  857.4371       88.90110 779.3914       
130.3063 925.3970       121.5955 59.77061 5.192768 65.46905 4.423871 -5.698437 
6.821691 
1 1 1 2   31  24 o 18.08083 5.574936  -9.727991      81.74067 -62.15787      
117.4737 39.48326       113.8108 16.36073 7.499680 19.80094 8.250724 -3.440205 
11.14987 
1 1 1 2   31  25 o 21.99340 6.107295  77.76740       84.38225 128.3588       
120.8605 29.65274       117.8650 24.44571 8.978172 19.54109 8.281825 4.904615 
12.21459 
1 1 1 2   31  26 o 19.79184 5.783714  19.20458       85.42647 -88.95734      
123.9455 117.0782       117.9034 15.97446 7.469614 23.60923 8.832341 -7.634771 
11.56743 
1 1 1 2   31  27 o 91.52568 3.261719  1837.537       124.8624 1776.956       
182.6751 1890.660       171.0607 89.91846 4.838955 93.13291 4.374899 -3.214455 
6.523437 
1 1 1 2   31  28 o 38.99521 5.942655  377.1137       94.48756 415.4729       
136.4049 341.7290       131.0096 41.10227 8.195061 36.88815 8.608228 4.214127 
11.88531 
1 1 1 2   31  29 o 31.94116 9.600789  270.5273       139.0905 270.5273       
139.0905 0.000000       0.000000 31.94116 9.600789 ?        ?        ? ? 
1 1 1 2   31  30 o 79.01333 3.966617  1419.321       130.9934 1265.455       
183.9621 1577.582       186.5708 74.35390 5.893124 83.67276 5.311053 -9.318863 
7.933233 
1 1 1 2   31  31 o 53.03704 3.534074  625.0938       75.39393 662.4066       
127.2799 604.9248       93.57771 53.75082 5.640214 52.32326 4.259893 1.427563 
7.068147 
1 1 1 2   31  32 o 19.67126 5.534192  78.54053       68.63397 34.49768       
119.8630 100.0254       83.71709 18.75325 8.157452 20.58927 7.480982 -1.836020 
11.06838 
1 1 1 2   31  33 o 36.27477 5.084563  327.4508       72.56585 389.8164       
120.8305 292.2678       90.75490 38.38828 7.768619 34.16125 6.561987 4.227028 
10.16913 
1 1 1 2   31  34 o 19.10997 5.706672  59.23140       72.22204 113.2935       
133.8332 37.01932       85.78513 21.63146 8.976062 16.58847 7.049449 5.042995 
11.41334 
1 1 1 2   32  0  o 35.37837 4.298015  283.6118       62.37893 312.9105       
92.11704 258.7979       84.77399 37.35706 5.873384 33.39968 6.276552 3.957371 
8.596030 
1 1 1 2   32  1  o 41.61445 4.231983  385.1556       70.03642 524.8907       
105.8054 276.1813       93.43668 48.82216 5.161928 34.40673 6.707699 14.41542 
8.463966 
1 1 1 2   32  2  o 27.16779 5.680422  176.8860       69.09332 172.9011       
103.9825 180.0364       92.45551 26.88357 8.346300 27.45201 7.707663 
-0.5684433     11.36084 
1 1 1 2   32  3  o 53.44764 3.535806  634.0107       77.89095 527.7747       
114.0098 727.0006       106.6655 48.93889 5.548929 57.95639 4.383728 -9.017498 
7.071611 
1 1 1 2   32  4  o 18.92831 5.338215  34.71798       67.99863 102.0198       
97.25836 -29.63923      95.10690 22.26184 8.065834 15.59479 6.994890 6.667052 
10.67643 
1 1 1 2   32  5  o 26.56501 9.157926  159.9169       124.0240 0.000000       
0.000000 159.9169       124.0240 ?        ?        26.56501 9.157926 ? ? 
1 1 1 2   32  6  o 92.33002 2.945646  1827.864       113.5585 1792.257       
152.2051 1872.570       170.5476 91.41895 3.965646 93.24108 4.356717 -1.822136 
5.891293 
1 1 1 2   32  7  o 22.76660 5.198399  101.1736       60.44711 181.8047       
91.43416 38.57439       80.56413 27.90622 7.600293 17.62698 7.094288 10.27924 
10.39680 
1 1 1 2   32  8  o 15.16247 4.725161  -20.91636      60.02984 -63.56443      
89.99142 13.27498       80.57671 14.04125 6.487517 16.28370 6.871731 -2.242452 
9.450321 
1 1 1 2   32  9  o 56.90308 3.104735  698.5599       73.28341 569.7001       
102.3961 833.8686       104.9271 51.39025 4.745955 62.41590 4.004177 -11.02565 
6.209470 
1 1 1 2   32  10 o 102.9011 2.565803  2265.363       110.3175 2165.311       
161.8934 2352.092       150.7293 100.6817 3.830009 105.1205 3.415319 -4.438828 
5.131606 
1 1 1 2   32  11 o 73.34547 2.779234  1141.582       85.21622 1240.872       
127.9463 1062.421       114.2425 76.16720 4.001112 70.52374 3.858455 5.643456 
5.558469 
1 1 1 2   32  12 o 27.62875 5.420499  169.2327       66.23484 238.8672       
101.4654 117.5262       87.43349 32.05658 7.637317 23.20092 7.694064 8.855659 
10.84100 
1 1 1 2   32  13 o 57.59694 3.307215  742.9825       75.87200 604.0078       
121.2203 832.4921       97.28404 52.72142 5.476578 62.47246 3.709147 -9.751041 
6.614429 
1 1 1 2   32  14 o 37.75023 4.561924  309.0262       69.12482 430.3109       
107.1217 222.4883       90.48515 44.41832 5.744290 31.08215 7.088564 13.33617 
9.123848 
1 1 1 2   32  15 o 25.34237 5.643933  143.4230       72.46227 58.98807       
109.4763 209.2578       96.66887 20.70928 8.296758 29.97547 7.653740 -9.266184 
11.28787 
1 1 1 2   32  16 o 47.83537 3.875900  509.1033       75.77933 394.7108       
110.1030 612.0627       104.4561 42.38002 6.188128 53.29072 4.668778 -10.91071 
7.751801 
1 1 1 2   32  17 o 39.04350 4.851405  333.5764       76.83554 418.0581       
120.8143 276.1983       99.56593 43.44078 6.624329 34.64623 7.089624 8.794548 
9.702809 
1 1 1 2   32  18 o 42.33455 4.320179  388.8242       76.21737 455.2522       
115.8863 338.1866       101.1796 45.48806 6.068144 39.18105 6.150889 6.307007 
8.640359 
1 1 1 2   32  19 o 78.75792 3.069746  1338.882       100.2396 1314.170       
153.4607 1357.272       132.3836 77.95752 4.688785 79.55832 3.963415 -1.600800 
6.139492 
1 1 1 2   32  20 o 66.22234 3.164371  970.0067       85.67738 795.6877       
128.3073 1110.281       115.0983 60.46560 5.054338 71.97907 3.808760 -11.51347 
6.328743 
1 1 1 2   32  21 o 18.59826 5.550460  20.71362       74.63596 50.71834       
109.5365 -5.289754      101.9715 20.08412 8.199280 17.11240 7.483464 2.971712 
11.10092 
1 1 1 2   32  22 o 54.47544 3.696124  651.7308       84.27792 627.8703       
122.5028 673.1721       116.1266 53.42121 5.462023 55.52967 4.981127 -2.108459 
7.392248 
1 1 1 2   32  23 o 23.06107 5.990606  101.3347       81.98612 14.80125       
121.7585 173.1136       110.8934 19.19110 8.282784 26.93104 8.657075 -7.739937 
11.98121 
1 1 1 2   32  24 o 45.56041 5.007565  484.4726       91.15664 369.7216       
127.7523 603.4980       130.1100 39.17069 8.044621 51.95013 5.965474 -12.77944 
10.01513 
1 1 1 2   32  25 o 27.12412 6.327075  172.9977       87.52402 100.3822       
122.1383 249.6469       125.4849 22.76859 8.869743 31.47965 9.025250 -8.711058 
12.65415 
1 1 1 2   32  26 o 71.11957 3.644227  1116.359       108.5530 1024.420       
148.2614 1222.597       159.3747 67.94507 5.197461 74.29407 5.109594 -6.348999 
7.288453 
1 1 1 2   32  27 f 21.55756 6.192566  77.24761       87.93620 100.1456       
125.7951 55.36520       122.9740 22.62309 8.950891 20.49203 8.559968 2.131056 
12.38513 
1 1 1 2   32  28 o 26.68717 6.546624  180.8004       89.72044 178.0665       
129.6637 183.3117       124.2755 26.53855 9.342907 26.83579 9.172962 
-0.2972431     13.09325 
1 1 1 2   32  29 o 51.10480 5.201355  614.4282       101.0079 977.6376       
155.7299 350.6638       132.7093 65.49044 5.663895 36.71917 8.725634 28.77127 
10.40271 
1 1 1 2   32  30 o 31.90340 6.258997  254.8782       94.82588 441.5000       
146.0773 118.9631       124.6624 40.94876 8.752669 22.85804 8.949356 18.09071 
12.51799 
1 1 1 2   32  31 o 26.49264 9.658031  198.0703       139.6332 198.0703       
139.6332 0.000000       0.000000 26.49264 9.658031 ?        ?        ? ? 
1 1 1 2   32  32 o 25.35042 6.461735  160.6372       86.82008 288.0187       
147.5724 93.20933       107.3673 30.34227 9.995845 20.35856 8.191408 9.983709 
12.92347 
1 1 1 2   32  33 o 38.41005 4.652455  245.1337       71.13775 841.9114       
147.6469 64.71460       81.18192 58.98929 5.961730 17.83081 7.144166 41.15848 
9.304910 
1 1 1 2   33  0  o 33.29436 4.688727  261.1627       62.80318 285.4445       
95.68781 242.7868       83.24142 34.55500 6.839067 32.03372 6.415902 2.521286 
9.377454 
1 1 1 2   33  1  o 46.32760 3.829491  480.8734       74.21275 468.3169       
108.6709 491.8474       101.5917 45.62088 5.673758 47.03431 5.144754 -1.413429 
7.658983 
1 1 1 2   33  2  o 25.56701 5.727500  158.0216       68.63486 165.3888       
101.5834 151.8336       93.09927 26.04434 8.277044 25.08967 7.918812 0.9546623 
11.45500 
1 1 1 2   33  3  o 48.62732 3.806527  520.9196       77.30591 600.6698       
114.4925 454.0967       104.8030 52.09401 5.234925 45.16063 5.527580 6.933388 
7.613053 
1 1 1 2   33  4  o 20.06922 5.672020  61.99848       71.92268 81.15856       
108.4110 46.93594       96.12222 21.28335 8.343040 18.85509 7.686412 2.428259 
11.34404 
1 1 1 2   33  5  o 63.75019 5.300620  895.9560       141.8689 895.9560       
141.8689 0.000000       0.000000 63.75019 5.300620 ?        ?        ? ? 
1 1 1 2   33  6  o 40.49094 4.515047  379.1335       72.85686 462.4637       
101.6318 291.0362       104.4983 45.85854 5.278742 35.12334 7.326491 10.73520 
9.030093 
1 1 1 2   33  7  f 42.17985 4.089055  393.4371       72.35829 379.9437       
100.0228 408.2515       104.8048 41.43462 5.749850 42.92507 5.815557 -1.490444 
8.178109 
1 1 1 2   33  8  o 36.20403 5.263341  307.8021       77.23988 301.3198       
107.6326 314.6849       110.9085 35.81723 7.408826 36.59083 7.477991 
-0.7736053     10.52668 
1 1 1 2   33  9  o 48.18241 3.623148  515.2776       71.62721 458.1058       
109.6134 557.8823       94.62393 45.57735 5.728432 50.78746 4.437778 -5.210106 
7.246296 
1 1 1 2   33  10 o 64.55456 3.140029  899.8973       84.44852 907.6449       
127.7243 893.8800       112.5637 64.68806 4.702949 64.42105 4.161900 0.2670135 
6.280059 
1 1 1 2   33  11 o 29.69866 5.392842  211.0270       67.11862 188.2547       
106.3749 226.0897       86.51394 28.16459 8.382082 31.23273 6.787614 -3.068134 
10.78568 
1 1 1 2   33  12 o 57.07636 3.297876  711.9164       78.19017 646.6798       
115.6498 766.8437       106.1191 54.49204 5.055139 59.66068 4.236687 -5.168640 
6.595752 
1 1 1 2   33  13 o 74.60429 2.898512  1197.108       90.08147 1196.546       
136.0045 1197.547       120.2366 74.47604 4.349685 74.73255 3.832197 
-0.2565155     5.797025 
1 1 1 2   33  14 o 15.18053 4.842831  -42.02888      66.83357 -87.59826      
98.54467 -3.216299      90.94586 14.04096 6.585371 16.32010 7.102459 -2.279141 
9.685661 
1 1 1 2   33  15 o 58.93997 3.291945  751.0082       79.28037 760.0566       
127.8546 745.3558       101.0537 59.01794 5.160043 58.86200 4.089201 0.1559410 
6.583890 
1 1 1 2   33  16 o 42.30778 4.671630  410.2511       78.02104 283.4596       
108.4016 546.5271       112.3829 34.66283 7.653790 49.95273 5.358734 -15.28989 
9.343261 
1 1 1 2   33  17 o 22.97267 5.771217  103.4168       76.20351 15.64821       
114.0191 174.2694       102.4439 18.81692 8.065639 27.12841 8.256711 -8.311487 
11.54243 
1 1 1 2   33  18 o 71.24942 3.113646  1098.314       92.87275 1102.476       
136.6458 1094.740       126.6113 71.29484 4.565193 71.20400 4.235347 
0.9083557E-01  6.227291 
1 1 1 2   33  19 o 124.1263 3.310683  3373.316       171.2460 3006.311       
246.9892 3713.057       237.6381 117.2598 5.017066 130.9927 4.321056 -13.73292 
6.621365 
1 1 1 2   33  20 o 53.16212 3.832140  619.3303       84.71459 651.4269       
130.2701 595.8107       111.5139 54.19992 5.724888 52.12433 5.095766 2.075584 
7.664279 
1 1 1 2   33  21 f 19.52492 5.475554  37.96129       69.98693 121.3588       
107.6954 -23.00691      92.08151 23.57394 8.492878 15.47589 6.913594 8.098050 
10.95111 
1 1 1 2   33  22 o 26.54208 5.925066  170.8604       74.16806 150.9544       
111.8377 186.4883       99.09370 25.36978 8.701166 27.71438 8.044583 -2.344603 
11.85013 
1 1 1 2   33  23 o 64.53450 3.818471  923.2183       102.4741 909.8013       
135.6081 941.0781       156.4586 64.22562 5.029194 64.84338 5.747182 
-0.6177597     7.636943 
1 1 1 2   33  24 o 20.67945 6.124290  49.21663       90.65707 88.24319       
123.8015 4.092468       133.1222 22.12141 8.839375 19.23750 8.478986 2.883909 
12.24858 
1 1 1 2   33  25 o 19.95089 5.932833  44.26690       85.28839 12.96897       
123.1954 73.07425       118.1921 18.85381 8.235394 21.04797 8.542385 -2.194162 
11.86567 
1 1 1 2   33  26 o 55.47839 4.149065  700.5585       96.50131 680.6672       
138.7100 719.2167       134.3418 54.57714 6.053658 56.37963 5.675576 -1.802494 
8.298129 
1 1 1 2   33  27 o 27.07671 6.207294  172.3250       87.80888 295.6064       
130.0486 69.02939       119.0413 33.49088 9.038776 20.66254 8.510141 12.82834 
12.41459 
1 1 1 2   33  28 o 37.86481 5.658881  349.0701       89.30733 509.4825       
137.7600 232.7808       117.2935 46.08516 7.120052 29.64447 8.797532 16.44068 
11.31776 
1 1 1 2   33  29 o 16.98289 5.461097  -27.50392      84.89345 11.83158       
128.1703 -58.24843      113.3128 18.51983 8.220768 15.44596 7.191195 3.073874 
10.92219 
1 1 1 2   33  30 o 20.05182 5.808609  53.25797       88.27098 -83.40582      
134.7363 156.0222       116.8365 15.98153 7.548590 24.12210 8.830545 -8.140576 
11.61722 
1 1 1 2   33  31 o 26.19673 6.309486  179.2769       90.35638 321.9343       
137.4694 70.76721       119.8928 32.73187 9.466725 19.66159 8.343834 13.07028 
12.61897 
1 1 1 2   34  0  o 45.02108 3.506532  455.6385       66.24403 436.5302       
92.30045 475.9362       95.13003 44.02745 4.993457 46.01470 4.924273 -1.987247 
7.013065 
1 1 1 2   34  1  o 24.49691 5.605906  149.2306       65.90114 162.8551       
94.18335 136.1616       92.24351 25.43116 7.952948 23.56267 7.902869 1.868488 
11.21181 
1 1 1 2   34  2  o 49.52144 3.826770  549.3618       79.22836 593.9858       
118.8844 513.7078       106.2661 51.24554 5.525731 47.79735 5.295561 3.448189 
7.653539 
1 1 1 2   34  3  o 48.76685 3.901656  541.8701       78.71166 462.3481       
114.5238 613.0648       108.3618 44.99042 6.063127 52.54328 4.912247 -7.552864 
7.803312 
1 1 1 2   34  4  o 18.16448 7.527236  40.02048       93.91744 0.000000       
0.000000 40.02048       93.91744 ?        ?        18.16448 7.527236 ? ? 
1 1 1 2   34  5  o 40.07957 6.150714  386.5933       96.49391 347.8260       
118.5738 462.6072       166.0361 37.82684 7.733468 42.33229 9.566536 -4.505455 
12.30143 
1 1 1 2   34  6  o 77.02956 3.006603  1284.752       96.85119 1209.394       
130.1280 1378.337       145.0147 74.57450 4.156247 79.48462 4.345603 -4.910118 
6.013206 
1 1 1 2   34  7  o 61.45341 3.423537  827.8746       88.21327 783.4791       
121.1768 877.9259       128.6644 59.70966 4.833881 63.19717 4.849332 -3.487503 
6.847074 
1 1 1 2   34  8  o 34.05729 5.322861  281.2223       74.40011 229.3841       
106.8007 330.0972       103.7030 30.57201 8.164237 37.54256 6.832029 -6.970558 
10.64572 
1 1 1 2   34  9  o 49.01891 4.154614  539.7321       84.62891 455.0354       
119.3949 625.2522       119.9739 44.89096 6.335018 53.14687 5.376878 -8.255909 
8.309228 
1 1 1 2   34  10 o 39.25432 4.686974  353.7318       75.61093 359.5013       
105.5569 347.6521       108.3581 39.95022 6.293449 38.55843 6.947186 1.391792 
9.373947 
1 1 1 2   34  11 o 68.71278 2.914579  1019.550       83.92748 937.6937       
116.1108 1109.109       121.4520 65.78927 4.203767 71.63628 4.038247 -5.847015 
5.829159 
1 1 1 2   34  12 o 56.35397 3.364579  691.9425       79.19299 711.2801       
118.7826 676.4691       106.2535 56.96227 4.966915 55.74567 4.539970 1.216595 
6.729159 
1 1 1 2   34  13 f 31.24947 5.234004  239.5153       70.58112 156.0495       
107.7332 302.2801       93.42292 25.73527 8.540664 36.76367 6.052791 -11.02840 
10.46801 
1 1 1 2   34  14 o 65.52116 3.082774  936.9670       84.07183 883.9927       
125.0917 980.6072       113.5374 63.65831 4.680523 67.38400 4.013315 -3.725697 
6.165549 
1 1 1 2   34  15 o 62.58202 3.251354  857.3492       84.81469 813.5805       
125.5900 894.0482       115.0005 60.94669 4.908241 64.21736 4.265486 -3.270672 
6.502707 
1 1 1 2   34  16 o 45.01021 4.188262  452.1138       78.22309 543.5747       
113.3567 368.9694       108.0802 49.56300 5.447667 40.45742 6.363104 9.105587 
8.376525 
1 1 1 2   34  17 o 68.53662 3.232528  1024.772       92.79993 940.0509       
130.3015 1111.976       132.1969 65.56826 4.733439 71.50499 4.403580 -5.936729 
6.465057 
1 1 1 2   34  18 o 81.30211 3.191911  1437.137       108.7148 1506.338       
160.2761 1378.167       147.9541 83.05322 4.596565 79.55101 4.429985 3.502205 
6.383821 
1 1 1 2   34  19 o 51.58812 4.094532  591.1302       88.14500 688.4940       
130.2292 508.8164       119.7418 55.59444 5.579534 47.58179 5.994130 8.012653 
8.189065 
1 1 1 2   34  20 o 20.66664 5.674908  77.11268       71.90046 41.24050       
107.6852 105.9697       96.58348 19.20341 8.015200 22.12987 8.035851 -2.926456 
11.34982 
1 1 1 2   34  21 o 30.66814 5.653686  226.9880       73.83182 287.0294       
111.8984 180.6954       98.25487 34.20279 7.938777 27.13349 8.051863 7.069292 
11.30737 
1 1 1 2   34  22 o 54.84684 3.699529  667.9854       84.93759 691.4073       
125.7905 648.3574       115.1529 55.63511 5.385427 54.05857 5.073779 1.576538 
7.399057 
1 1 1 2   34  23 o 20.14683 6.098462  30.77854       89.05869 -0.4282666     
112.1341 84.09229       146.5658 17.62224 7.772558 22.67142 9.399589 -5.049173 
12.19692 
1 1 1 2   34  24 o 55.02576 4.477352  688.1746       102.6235 618.6284       
135.2053 782.6954       157.6233 51.88993 6.206283 58.16159 6.455134 -6.271664 
8.954703 
1 1 1 2   34  25 o 40.98536 5.709664  420.5637       94.97418 440.2086       
125.3038 394.0408       145.5964 43.19264 6.909963 38.77809 9.091396 4.414551 
11.41933 
1 1 1 2   34  26 o 21.06722 6.082660  52.62461       93.61279 159.9989       
128.9163 -67.15047      136.1573 25.22766 9.271859 16.90679 7.875764 8.320868 
12.16532 
1 1 1 2   34  27 o 30.55276 6.138852  240.2088       86.72733 362.2557       
130.8682 144.6330       115.8096 37.08862 8.570191 24.01689 8.791690 13.07173 
12.27770 
1 1 1 2   34  28 o 22.71344 6.253720  105.9507       87.95844 203.4482       
137.0147 37.60316       114.7181 26.83973 9.588356 18.58716 8.031157 8.252563 
12.50744 
1 1 1 2   34  29 o 15.82861 5.224790  -52.15973      85.98529 -71.23717      
130.3598 -37.46751      114.4004 15.87514 7.476363 15.78207 7.300529 
0.9306145E-01  10.44958 
1 1 1 2   34  30 o 19.98460 5.977225  73.06667       89.53337 6.998431       
135.7841 123.8884       119.0905 18.03729 8.199680 21.93191 8.699086 -3.894621 
11.95445 
1 1 1 2   35  0  o 41.88512 3.798415  405.5869       66.36392 369.6595       
87.95915 453.0660       101.1157 39.84608 5.257950 43.92416 5.483229 -4.078072 
7.596830 
1 1 1 2   35  1  o 49.12143 3.680001  541.5891       74.95467 458.5280       
97.57611 661.1550       117.0708 44.63776 5.206695 53.60510 5.201920 -8.967339 
7.360003 
1 1 1 2   35  2  o 28.28424 5.774685  212.7735       73.48253 176.1460       
107.2248 245.2093       100.9031 25.79296 8.520488 30.77551 7.796747 -4.982555 
11.54937 
1 1 1 2   35  3  o 18.18923 5.294755  33.59538       69.86090 -40.02142      
101.2257 100.5511       96.53748 15.18790 6.961926 21.19057 7.979306 -6.002663 
10.58951 
1 1 1 2   35  4  o 30.99702 7.633146  241.7883       98.80785 0.000000       
0.000000 241.7883       98.80785 ?        ?        30.99702 7.633146 ? ? 
1 1 1 2   35  5  o 25.12767 5.896964  107.9919       80.88019 300.1887       
133.7810 -2.725281      101.5380 33.60088 9.212074 16.65446 7.364403 16.94642 
11.79393 
1 1 1 2   35  6  o 51.53843 4.303894  584.0623       90.80944 802.5459       
144.5381 441.5786       116.7228 59.37775 5.798018 43.69911 6.362152 15.67864 
8.607787 
1 1 1 2   35  7  o 21.07274 5.727074  90.09687       71.45664 91.10864       
102.7926 89.15073       99.40252 21.19139 8.161326 20.95409 8.036807 0.2372952 
11.45415 
1 1 1 2   35  8  o 32.18155 5.762715  259.0875       77.97038 242.2235       
107.4479 277.8449       113.3198 31.06814 8.140015 33.29497 8.159394 -2.226828 
11.52543 
1 1 1 2   35  9  o 73.20176 3.291789  1178.580       100.9713 1282.240       
145.4872 1082.252       140.2468 76.38949 4.536408 70.01403 4.771216 6.375458 
6.583578 
1 1 1 2   35  10 o 37.82784 5.324626  343.1473       81.39051 296.8542       
109.7720 399.6702       121.2959 34.83559 7.710580 40.82010 7.345308 -5.984501 
10.64925 
1 1 1 2   35  11 f 23.80093 5.799455  119.5425       75.58176 40.94296       
104.3234 206.3785       109.6532 18.89638 7.888203 28.70548 8.503586 -9.809105 
11.59891 
1 1 1 2   35  12 o 21.09604 5.771680  79.66664       75.21137 126.6576       
105.6068 31.30161       107.1397 23.54410 8.417256 18.64797 7.899302 4.896122 
11.54336 
1 1 1 2   35  13 o 39.69608 4.527448  357.7899       72.92583 443.2763       
110.3080 291.4172       97.19711 44.31002 5.929610 35.08213 6.843308 9.227886 
9.054896 
1 1 1 2   35  14 o 69.24802 3.144993  1048.422       91.08895 1060.115       
135.0396 1038.660       123.3862 69.48461 4.629069 69.01141 4.258598 0.4731979 
6.289987 
1 1 1 2   35  15 o 39.22354 4.967734  351.3264       77.71963 549.0041       
120.1648 209.1658       101.9033 49.38441 5.795733 29.06267 8.069883 20.32174 
9.935469 
1 1 1 2   35  16 o 65.07948 3.270792  927.0461       89.16509 1016.860       
130.2193 847.7648       122.3457 68.07963 4.555952 62.07933 4.694211 6.000294 
6.541584 
1 1 1 2   35  17 o 64.04284 3.345243  899.6414       89.60148 946.6950       
133.8344 861.4183       120.6240 65.46436 4.869496 62.62132 4.588095 2.843033 
6.690486 
1 1 1 2   35  18 o 76.57103 3.257126  1280.228       104.2776 1397.047       
156.3658 1186.663       139.9394 79.63998 4.676616 73.50207 4.534835 6.137917 
6.514251 
1 1 1 2   35  19 o 29.38440 5.772820  211.7939       84.05666 348.4523       
118.3005 72.45261       119.4561 37.72796 7.734909 21.04084 8.571638 16.68712 
11.54564 
1 1 1 2   35  20 o 50.74009 4.019977  569.7427       83.72528 760.0161       
127.6608 426.1277       110.9094 58.31063 5.214718 43.16955 6.119441 15.14108 
8.039953 
1 1 1 2   35  21 o 45.43102 4.438064  475.6731       84.45807 513.0384       
120.0954 439.1102       118.7987 47.34507 6.041885 43.51698 6.502406 3.828098 
8.876128 
1 1 1 2   35  22 o 36.25495 5.976156  345.1684       93.82452 444.6574       
127.3383 227.0080       138.7738 43.37445 6.992723 29.13545 9.693275 14.23900 
11.95231 
1 1 1 2   35  23 o 28.14661 6.690745  204.7986       91.95300 174.7970       
118.2738 250.6432       146.2045 26.10000 8.948380 30.19322 9.949409 -4.093216 
13.38149 
1 1 1 2   35  24 o 18.71616 5.819372  17.00021       88.61939 43.04194       
114.5526 -21.81558      139.8537 19.13144 8.138595 18.30087 8.320075 0.8305740 
11.63874 
1 1 1 2   35  25 o 69.55951 3.868416  1110.074       111.6879 1115.231       
147.9003 1103.230       170.3742 70.21465 5.017212 68.90437 5.889496 1.310280 
7.736833 
1 1 1 2   35  26 o 30.09397 6.583579  255.7492       91.08556 245.0712       
121.6033 269.3980       137.4821 29.65009 8.990070 30.53784 9.620431 
-0.8877487     13.16716 
1 1 1 2   35  27 o 15.49254 5.166722  -74.88297      88.37915 -68.32204      
122.3035 -82.05307      127.8552 15.47928 7.275828 15.50580 7.337737 
-0.2651501E-01 10.33344 
1 1 1 2   35  28 o 32.90783 6.165612  307.9613       92.47107 452.6118       
136.0065 183.6112       126.1021 40.74185 8.239400 25.07381 9.174497 15.66804 
12.33122 
1 1 1 2   36  2  o 17.50056 4.847308  -18.16138      66.44734 -179.0727      
91.28709 163.1680       96.90590 10.73282 5.326675 24.26831 8.100130 -13.53549 
9.694615 
1 1 1 2   36  3  f 48.33654 4.089935  554.1111       82.88068 594.5596       
120.4455 517.7334       114.2238 50.05953 5.730928 46.61355 5.836673 3.445980 
8.179871 
1 1 1 2   36  4  o 22.84114 8.390332  134.7449       105.5560 0.000000       
0.000000 134.7449       105.5560 ?        ?        22.84114 8.390332 ? ? 
1 1 1 2   36  5  o 32.99915 5.981050  309.4374       84.52295 228.1824       
141.8915 354.1287       105.2306 28.15981 9.786925 37.83850 6.878078 -9.678696 
11.96210 
1 1 1 2   36  6  o 27.34376 6.814976  198.4347       94.35757 248.6382       
158.4264 170.8358       117.4644 29.24836 10.32421 25.43916 8.898662 3.809200 
13.62995 
1 1 1 2   36  7  o 17.63981 5.443222  16.46941       76.34720 -3.912721      
115.0359 32.51469       102.0663 17.33283 7.735704 17.94679 7.659864 
-0.6139584     10.88644 
1 1 1 2   36  8  o 81.88499 3.118173  1484.569       107.1541 1468.795       
149.1434 1501.398       154.0534 81.48384 4.359671 82.28613 4.459291 
-0.8022919     6.236345 
1 1 1 2   36  9  f 60.62953 3.596584  830.9183       90.80377 774.2092       
133.8796 879.2302       123.5709 58.39690 5.460666 62.86216 4.682177 -4.465263 
7.193167 
1 1 1 2   36  10 o 56.81712 3.875979  730.2271       92.15897 711.5656       
124.8355 752.5801       136.6261 56.16242 5.294357 57.47183 5.662387 -1.309406 
7.751958 
1 1 1 2   36  11 o 79.28825 3.174291  1394.427       104.9798 1332.759       
155.2269 1446.408       142.5141 77.40409 4.776659 81.17242 4.181869 -3.768333 
6.348582 
1 1 1 2   36  12 o 33.10366 5.794228  279.8533       80.44511 311.3704       
112.4419 246.8061       115.1392 35.32827 7.790360 30.87906 8.579196 4.449209 
11.58846 
1 1 1 2   36  13 o 30.75566 6.092191  245.0611       81.95110 227.9853       
116.8680 261.5807       114.9486 29.61259 8.780229 31.89872 8.447886 -2.286137 
12.18438 
1 1 1 2   36  14 o 32.99037 6.028243  283.1584       85.96290 348.7902       
119.9073 213.7559       123.3036 37.40461 7.882360 28.57613 9.122897 8.828476 
12.05649 
1 1 1 2   36  15 o 40.54579 4.387720  370.8899       73.72768 433.2072       
116.2269 328.9295       95.37224 43.21331 6.406341 37.87827 5.997262 5.335049 
8.775440 
1 1 1 2   36  16 o 67.50736 3.339249  1032.097       91.53217 911.7178       
143.4843 1114.701       118.8577 63.57628 5.375641 71.43845 3.962930 -7.862164 
6.678498 
1 1 1 2   36  17 o 73.28648 3.194267  1186.955       97.57955 1192.189       
146.9630 1182.827       130.4965 73.20773 4.781589 73.36523 4.236718 
-0.1574936     6.388534 
1 1 1 2   36  18 o 84.85826 3.200214  1595.188       111.8995 1585.673       
175.1810 1601.746       145.4369 84.20915 4.955059 85.50736 4.051280 -1.298210 
6.400427 
1 1 1 2   36  19 o 56.51875 3.870386  720.4323       91.42651 821.1020       
134.9397 635.0023       124.3070 60.25184 5.334460 52.78565 5.609198 7.466190 
7.740773 
1 1 1 2   36  20 o 26.42291 6.011549  170.6490       84.83356 56.96715       
120.5804 282.0680       119.3743 20.04252 8.429560 32.80331 8.573063 -12.76079 
12.02310 
1 1 1 2   36  21 o 44.62578 5.130935  495.7593       91.12267 398.4787       
134.0668 579.2866       124.2287 39.22560 8.385697 50.02596 5.914902 -10.80036 
10.26187 
1 1 1 2   36  22 o 37.99661 5.706823  376.3421       89.76626 446.1590       
122.9799 296.7248       131.3282 43.12781 6.792004 32.86541 9.172787 10.26241 
11.41365 
1 1 1 2   36  23 f 56.74243 4.611345  773.7104       107.2623 788.4193       
139.2015 752.2125       168.2878 58.24202 5.692836 55.24285 7.256007 2.999165 
9.222691 
1 1 1 2   36  24 o 17.52587 5.699576  -27.69616      91.89864 -55.86761      
115.0241 22.02362       152.8090 15.41730 7.203907 19.63445 8.834273 -4.217148 
11.39915 
1 1 1 2   36  25 o 19.27453 6.161243  21.02201       106.1164 36.77934       
137.0225 -2.590805      167.7354 19.21273 8.517703 19.33633 8.904628 
-0.1235943     12.32249 
1 1 1 2   36  26 o 22.45189 6.390883  131.3259       92.98490 147.7640       
124.6630 110.7119       139.6025 23.17712 8.974900 21.72666 9.100809 1.450468 
12.78177 
1 1 1 2   36  27 o 34.63980 5.747850  366.8430       102.7072 578.8782       
136.6921 91.92661       155.6467 47.98444 6.785224 21.29518 9.279648 26.68926 
11.49570 
1 1 1 2   37  5  o 35.59588 6.169672  344.6149       89.46558 452.2460       
147.9410 282.5588       112.3341 39.51201 9.100051 31.67974 8.333577 7.832264 
12.33934 
1 1 1 2   37  6  o 43.69025 5.604959  503.6097       96.62851 523.6612       
159.2568 491.9271       121.5613 42.71669 9.145270 44.66381 6.482771 -1.947117 
11.20992 
1 1 1 2   37  7  o 19.04520 5.899700  45.34109       89.44353 22.63085       
143.5698 59.74667       114.3451 18.99597 8.554127 19.09442 8.127284 
-0.9845161E-01 11.79940 
1 1 1 2   37  8  o 63.60360 3.764360  940.4243       100.4876 936.4938       
143.6590 944.1898       140.6119 63.38634 5.398314 63.82085 5.247840 
-0.4345131     7.528720 
1 1 1 2   37  9  o 17.47598 5.302582  -21.29158      82.09147 -197.3959      
123.9950 116.1332       109.5348 13.07776 6.441662 21.87421 8.424637 -8.796456 
10.60516 
1 1 1 2   37  10 o 56.56747 4.215679  760.4946       98.75060 661.7385       
143.8267 848.5684       135.8254 52.44176 6.532559 60.69318 5.330428 -8.251415 
8.431358 
1 1 1 2   37  11 o 32.92988 6.305430  306.0914       90.93218 247.8293       
141.0654 347.5116       118.9415 29.29943 9.772984 36.56032 7.970107 -7.260889 
12.61086 
1 1 1 2   37  12 o 24.17110 6.196244  146.7839       82.24901 193.7273       
119.7195 104.8212       113.1903 26.68260 9.003248 21.65960 8.515592 5.023001 
12.39249 
1 1 1 2   37  13 o 59.73106 3.934455  819.5320       98.39178 741.8204       
135.0751 907.3756       143.6108 56.60979 5.683357 62.85233 5.442353 -6.242542 
7.868910 
1 1 1 2   37  14 o 18.74878 5.771697  30.52014       85.00023 28.04651       
121.9129 32.86011       118.5736 18.74678 8.190496 18.75079 8.134232 
-0.4009247E-02 11.54339 
1 1 1 2   37  15 o 16.42778 5.316572  -47.36029      84.22309 -115.3039      
117.8579 23.54782       120.4017 14.35018 6.874735 18.50537 8.111830 -4.155195 
10.63314 
1 1 1 2   37  16 o 19.10841 5.760377  6.984304       85.47464 134.9053       
132.4027 -84.42108      111.9210 23.58774 9.225466 14.62908 6.900620 8.958653 
11.52075 
1 1 1 2   37  17 o 32.04694 6.222736  280.9797       85.61354 271.3062       
136.3486 287.2760       110.0018 30.90339 9.549958 33.19048 7.980481 -2.287083 
12.44547 
1 1 1 2   37  18 o 56.73276 3.768738  734.3242       89.10453 780.8130       
135.8611 699.2337       118.0362 58.06982 5.572703 55.39569 5.075285 2.674122 
7.537476 
1 1 1 2   37  19 o 42.50326 5.171246  445.5613       89.42066 540.7991       
134.8841 370.8848       119.4395 47.12733 6.817249 37.87920 7.777677 9.248131 
10.34249 
1 1 1 2   37  20 o 17.14480 5.337753  -28.81002      81.28886 -144.5624      
112.6467 96.96322       117.4215 13.19956 6.415221 21.09003 8.532958 -7.890470 
10.67551 
1 1 1 2   37  21 o 24.80935 6.255964  144.9016       95.36023 -1.441969      
133.7987 295.9811       135.9464 17.95980 8.157802 31.65890 9.486760 -13.69909 
12.51193 
1 1 1 2   37  22 o 18.46269 5.730189  24.67422       86.80302 -31.04144      
118.1537 90.00808       127.9463 16.14334 7.449170 20.78204 8.709199 -4.638700 
11.46038 
1 1 1 2   37  23 o 24.83919 6.525001  174.4153       91.08925 130.5144       
121.3846 231.0036       137.8130 22.32308 8.805090 27.35530 9.631871 -5.032225 
13.05000 
1 1 1 2   37  24 o 24.89544 6.678767  184.1572       96.19712 166.4435       
132.5640 203.8607       139.8118 23.99990 9.262908 25.79099 9.624044 -1.791088 
13.35753 
1 1 1 2   38  10 o 20.33191 5.557271  19.58515       85.54418 232.8580       
123.4119 -177.6535      118.6821 27.82853 9.141037 12.83530 6.322538 14.99323 
11.11454 
1 1 1 2   38  11 o 20.94774 6.163715  73.04933       90.65347 191.3038       
145.3394 -2.253612      115.9793 25.13468 9.699378 16.76080 7.608390 8.373875 
12.32743 
1 1 1 2   38  12 o 61.50373 4.287535  905.7866       109.7387 1003.712       
169.2559 834.7670       144.1400 64.01120 6.298091 58.99627 5.819438 5.014935 
8.575069 
1 1 1 2   38  13 o 33.52264 6.319237  324.5616       90.18177 338.3271       
134.9771 313.4620       121.2043 33.82132 9.244612 33.22396 8.617898 0.5973511 
12.63847 
1 1 1 2   38  14 f 22.89696 6.200643  135.8625       87.43571 67.60520       
125.1696 200.9086       122.1898 19.68795 8.445308 26.10596 9.081225 -6.418007 
12.40129 
1 1 1 2   38  15 o 50.99706 4.786371  647.4769       101.3086 663.4543       
155.3298 635.6490       133.6466 50.92419 7.265269 51.06993 6.233238 
-0.1457405     9.572742 
1 1 1 2   38  16 o 48.63599 5.180287  618.6586       97.73027 427.7828       
138.8343 806.1472       137.5969 39.01521 8.700114 58.25677 5.625789 -19.24156 
10.36057 
1 1 1 2   38  17 o 16.04497 5.265981  -45.32940      83.65224 19.20310       
129.7519 -91.23157      109.4312 18.15523 8.156108 13.93471 6.663341 4.220516 
10.53196 
1 1 1 2   38  18 o 56.71400 4.448990  774.8833       104.9623 893.3121       
162.3894 689.9016       137.5598 60.19913 6.425227 53.22887 6.155527 6.970257 
8.897981 
1 1 1 2   38  19 o 20.76173 5.936960  71.87041       86.48911 194.7569       
129.2950 -27.64818      116.3541 25.51292 9.294333 16.01055 7.389541 9.502377 
11.87392 
1 1 1 2   38  20 o 72.62382 3.581845  1228.935       109.1685 1271.799       
155.1565 1186.911       153.6301 73.97637 4.995718 71.27126 5.134320 2.705109 
7.163689 
1 1 1 3   -34 0  o 57.29277 4.629048  819.6120       109.7925 931.0075       
153.0233 701.4254       157.6188 62.21522 5.858439 52.37032 7.168755 9.844902 
9.258097 
1 1 1 3   -33 0  o 36.29558 6.516923  351.0176       97.12511 302.8420       
122.3066 433.2626       159.8052 33.49525 8.642387 39.09592 9.756551 -5.600670 
13.03385 
1 1 1 3   -33 1  f 15.42585 5.143562  -68.10873      84.80288 -35.57832      
104.1159 -132.2276      146.1723 15.23504 7.015774 15.61666 7.523553 
-0.3816147     10.28712 
1 1 1 3   -33 2  o 15.66815 5.197619  -52.28857      84.03158 -42.79227      
104.5800 -69.59040      141.1620 14.90347 6.927003 16.43283 7.750974 -1.529358 
10.39524 
1 1 1 3   -33 3  o 22.25986 9.196724  126.1969       139.5405 0.000000       
0.000000 126.1969       139.5405 ?        ?        22.25986 9.196724 ? ? 
1 1 1 3   -32 0  o 34.61538 6.321340  308.5797       90.60907 290.1734       
114.9689 338.7555       147.2063 33.79857 8.178825 35.43219 9.640755 -1.633617 
12.64268 
1 1 1 3   -32 1  o 21.61892 6.231336  84.05116       83.39863 73.53986       
99.92076 108.1891       151.4180 19.91212 7.946098 23.32571 9.600922 -3.413586 
12.46267 
1 1 1 3   -32 2  o 22.14038 6.155155  108.0827       85.24933 138.5582       
105.4085 50.45849       144.9448 23.57179 8.411132 20.70896 8.988693 2.862825 
12.31031 
1 1 1 3   -32 3  o 55.78464 7.510495  778.1344       175.8985 0.000000       
0.000000 778.1344       175.8985 ?        ?        55.78464 7.510495 ? ? 
1 1 1 3   -32 4  o 25.15743 8.120901  172.7519       97.50808 172.7519       
97.50808 0.000000       0.000000 25.15743 8.120901 ?        ?        ? ? 
1 1 1 3   -32 5  o 20.79427 6.019869  100.4201       81.73254 111.1967       
98.68961 76.88937       145.8297 20.98727 8.019986 20.60127 8.979706 0.3859978 
12.03974 
1 1 1 3   -31 0  o 78.52878 4.195876  1421.799       122.7807 1464.482       
145.5915 1316.689       228.4689 81.96917 4.230645 75.08839 7.247285 6.880783 
8.391751 
1 1 1 3   -31 1  o 29.82201 6.543209  191.6296       88.27924 115.4934       
106.0606 363.3340       159.2756 22.79461 8.406752 36.84940 10.02900 -14.05478 
13.08642 
1 1 1 3   -31 2  o 38.38594 5.881233  330.4908       84.64903 273.3297       
98.92955 486.7258       163.5555 33.49111 7.241013 43.28077 9.269484 -9.789654 
11.76247 
1 1 1 3   -31 3  o 39.59117 9.462062  418.1284       155.3634 0.000000       
0.000000 418.1284       155.3634 ?        ?        39.59117 9.462062 ? ? 
1 1 1 3   -31 4  o 67.65334 6.180867  1066.612       175.5568 1066.612       
175.5568 0.000000       0.000000 67.65334 6.180867 ?        ?        ? ? 
1 1 1 3   -31 5  o 48.94956 5.060381  597.1553       91.24272 614.1240       
110.0849 559.9155       163.0829 51.98788 5.043673 45.91124 8.774464 6.076637 
10.12076 
1 1 1 3   -31 6  o 30.11814 5.314579  240.6690       67.97971 190.8813       
97.27650 288.1919       95.03825 26.52226 8.040511 33.71402 6.951919 -7.191755 
10.62916 
1 1 1 3   -31 7  o 17.32284 5.234683  36.54501       67.40593 70.26574       
101.5800 10.01446       90.10165 18.94602 7.838295 15.69965 6.940370 3.246372 
10.46937 
1 1 1 3   -30 0  o 55.08086 4.339094  671.3188       92.74776 658.8430       
111.4821 699.3679       167.1589 54.90641 4.836190 55.25530 7.205706 
-0.3488960     8.678187 
1 1 1 3   -30 1  o 20.74513 6.110580  56.04068       84.23128 76.00009       
99.32621 4.932365       158.9409 20.56784 8.001483 20.92241 9.237587 
-0.3545723     12.22116 
1 1 1 3   -30 2  o 15.19057 7.333041  -175.9406      140.5898 0.000000       
0.000000 -175.9406      140.5898 ?        ?        15.19057 7.333041 ? ? 
1 1 1 3   -30 3  o 64.07674 4.908008  907.2411       132.0336 907.2411       
132.0336 0.000000       0.000000 64.07674 4.908008 ?        ?        ? ? 
1 1 1 3   -30 4  o 24.28822 5.948300  143.4192       75.99912 175.5543       
95.90284 89.17130       124.6042 26.58802 7.968163 21.98841 8.833882 4.599615 
11.89660 
1 1 1 3   -30 5  o 16.24713 5.215795  -31.57956      76.26415 -42.44701      
99.28509 -15.93919      119.1087 15.09914 6.910211 17.39511 7.814540 -2.295974 
10.43159 
1 1 1 3   -30 6  o 49.50492 4.458006  599.0991       81.79774 858.4124       
115.6580 339.5927       115.7010 62.25010 4.425441 36.75975 7.740203 25.49036 
8.916012 
1 1 1 3   -30 7  f 26.75236 5.977044  189.6253       76.55835 231.8188       
109.0226 148.5773       107.5325 29.46166 8.401480 24.04305 8.503843 5.418606 
11.95409 
1 1 1 3   -30 8  o 24.30513 5.581188  159.0349       70.44400 216.7672       
93.65448 83.81765       106.9001 28.57508 7.651768 20.03517 8.127059 8.539907 
11.16238 
1 1 1 3   -30 9  o 48.74130 4.411676  582.3316       89.24788 596.5960       
119.2342 564.1573       134.5869 50.01297 5.678576 47.46964 6.753172 2.543331 
8.823353 
1 1 1 3   -29 0  o 89.96148 4.001605  1712.641       137.1831 1628.845       
161.3730 1930.995       260.4962 86.89379 4.423471 93.02917 6.669653 -6.135376 
8.003210 
1 1 1 3   -29 1  o 38.95911 5.674852  356.6136       87.73448 359.3115       
109.3580 351.7411       146.9680 40.09743 6.496135 37.82079 9.306773 2.276649 
11.34970 
1 1 1 3   -29 2  o 72.85860 5.414475  1168.437       165.6213 0.000000       
0.000000 1168.437       165.6213 ?        ?        72.85860 5.414475 ? ? 
1 1 1 3   -29 3  o 43.07964 6.271955  417.1621       113.4368 417.1621       
113.4368 0.000000       0.000000 43.07964 6.271955 ?        ?        ? ? 
1 1 1 3   -29 4  o 31.82285 5.306636  248.1222       75.23169 352.1471       
103.8265 133.1330       109.1612 39.46882 6.265782 24.17688 8.566300 15.29193 
10.61327 
1 1 1 3   -29 5  o 35.98734 4.961919  302.0508       73.35622 247.7793       
99.51756 366.6245       108.5530 31.92504 7.536737 40.04963 6.456017 -8.124582 
9.923838 
1 1 1 3   -29 6  o 23.04846 5.831234  115.1825       75.18406 177.3119       
105.7654 51.71735       106.8963 26.63953 8.443621 19.45738 8.044775 7.182150 
11.66247 
1 1 1 3   -29 7  o 20.93891 5.722525  84.73364       73.44220 42.50084       
105.0040 125.1793       102.7583 18.78680 7.882198 23.09102 8.298201 -4.304224 
11.44505 
1 1 1 3   -29 8  o 18.55340 5.391070  40.54295       70.36996 98.19862       
100.2809 -15.39123      98.77251 21.22860 8.092476 15.87819 7.125054 5.350407 
10.78214 
1 1 1 3   -29 9  o 26.72570 5.569119  182.0496       70.71297 107.6147       
97.47240 264.7504       102.7421 21.42933 8.027954 32.02208 7.720901 -10.59275 
11.13824 
1 1 1 3   -29 10 f 46.84483 5.059791  526.8887       97.01535 678.9982       
160.5399 439.3851       121.7636 51.65212 7.403138 42.03755 6.899239 9.614574 
10.11958 
1 1 1 3   -29 11 o 16.43449 5.133854  16.38271       69.70043 10.03377       
100.1990 22.33523       97.02045 16.28275 7.244630 16.58622 7.276068 
-0.3034649     10.26771 
1 1 1 3   -28 0  o 63.51074 3.362084  888.6549       85.14491 942.9052       
107.1076 795.5094       140.3461 66.47886 3.837583 60.54262 5.521539 5.936241 
6.724168 
1 1 1 3   -28 1  o 69.61889 5.101477  1049.456       149.1083 0.000000       
0.000000 1049.456       149.1083 ?        ?        69.61889 5.101477 ? ? 
1 1 1 3   -28 2  o 61.89921 4.496055  825.7651       116.8411 825.7651       
116.8411 0.000000       0.000000 61.89921 4.496055 ?        ?        ? ? 
1 1 1 3   -28 3  f 25.68581 5.776305  150.7048       70.79026 120.4866       
98.22324 183.3651       102.1152 23.51357 8.145638 27.85806 8.192153 -4.344494 
11.55261 
1 1 1 3   -28 4  o 58.43970 3.746891  756.6411       90.48232 896.7529       
127.2646 613.4185       128.6696 64.22771 4.719613 52.65168 5.820827 11.57602 
7.493782 
1 1 1 3   -28 5  o 42.56610 4.521248  413.8794       78.17767 471.1730       
110.1541 355.7336       110.9703 46.08627 5.693117 39.04593 7.025323 7.040337 
9.042497 
1 1 1 3   -28 6  o 43.90179 4.339971  435.3433       78.63219 442.6132       
102.9872 425.1814       121.7611 44.63747 5.495467 43.16611 6.718722 1.471359 
8.679942 
1 1 1 3   -28 7  o 46.43274 4.036946  484.6844       78.07159 558.5472       
111.5957 413.8798       109.2611 50.10989 5.304509 42.75559 6.086866 7.354305 
8.073893 
1 1 1 3   -28 8  o 25.57965 5.494049  152.4904       71.11949 59.02078       
99.88654 248.5944       101.2843 19.41783 7.864441 31.74147 7.673907 -12.32364 
10.98810 
1 1 1 3   -28 9  o 31.44885 5.473338  247.0602       71.81849 231.2122       
99.13277 264.5661       104.1891 30.36289 7.749482 32.53482 7.731444 -2.171934 
10.94668 
1 1 1 3   -28 10 o 20.05998 5.159361  65.33056       66.81582 165.1608       
91.06329 -51.08997      98.33929 25.49249 7.789726 14.62747 6.767289 10.86502 
10.31872 
1 1 1 3   -28 11 o 37.76193 5.006097  356.9324       76.48978 249.5159       
106.3084 472.2293       110.1390 30.62302 8.130670 44.90084 5.842623 -14.27781 
10.01219 
1 1 1 3   -28 12 o 23.95400 5.802026  156.1490       70.87241 128.5125       
98.90965 185.3105       101.6020 22.14075 8.122972 25.76725 8.286819 -3.626493 
11.60405 
1 1 1 3   -27 0  o 34.82008 5.376821  266.5517       83.11741 460.9959       
123.2172 104.1973       112.5916 46.07846 6.369342 23.56170 8.664427 22.51676 
10.75364 
1 1 1 3   -27 1  o 46.96564 7.204234  485.3871       142.0519 485.3871       
142.0519 0.000000       0.000000 46.96564 7.204234 ?        ?        ? ? 
1 1 1 3   -27 2  o 81.55073 3.126430  1415.260       102.2799 1394.152       
126.7715 1454.623       173.1156 80.91662 3.731686 82.18484 5.017248 -1.268219 
6.252860 
1 1 1 3   -27 3  o 66.18206 2.979119  902.2573       75.45316 854.2156       
88.84500 1026.566       142.9137 63.38798 3.338468 68.97614 4.935102 -5.588154 
5.958237 
1 1 1 3   -27 4  o 33.27885 5.297066  257.3289       72.36378 226.6655       
100.9456 289.7441       103.7893 31.11019 7.748665 35.44752 7.224530 -4.337332 
10.59413 
1 1 1 3   -27 5  o 42.80429 4.325629  399.6697       77.09956 365.2043       
101.4245 446.8475       118.6643 40.71029 5.934169 44.89828 6.295228 -4.187996 
8.651258 
1 1 1 3   -27 6  o 27.92192 5.718585  185.8953       71.01016 198.4608       
99.30070 172.7449       101.5853 28.84350 7.949391 27.00035 8.222897 1.843147 
11.43717 
1 1 1 3   -27 7  o 103.0236 3.339007  2301.567       143.7018 2190.124       
192.1547 2442.984       216.4596 100.3390 4.561442 105.7082 4.877409 -5.369171 
6.678014 
1 1 1 3   -27 8  o 22.34867 5.735587  106.2000       70.54173 134.7988       
97.80195 75.18902       101.8428 24.08438 8.137493 20.61297 8.085112 3.471405 
11.47117 
1 1 1 3   -27 9  o 49.39974 4.200034  579.9930       81.60183 695.2239       
106.9582 419.5089       126.2250 56.32400 4.523159 42.47548 7.078289 13.84852 
8.400067 
1 1 1 3   -27 10 o 23.94426 5.724544  135.4079       68.05746 116.0808       
90.15083 161.0189       103.7767 22.37101 7.798554 25.51751 8.382371 -3.146503 
11.44909 
1 1 1 3   -27 11 o 33.81609 5.168303  280.9900       70.72210 278.3662       
93.80192 284.4460       107.6555 33.94370 6.822237 33.68848 7.765471 0.2552109 
10.33661 
1 1 1 3   -27 12 o 43.82901 4.244346  447.1518       77.85561 404.4672       
108.6353 492.2261       111.6349 41.50945 6.233686 46.14857 5.761863 -4.639118 
8.488692 
1 1 1 3   -27 13 o 32.23313 4.460515  210.2735       55.60402 402.5997       
106.4241 138.0589       65.21287 40.99150 6.183968 23.47477 6.429875 17.51673 
8.921029 
1 1 1 3   -27 14 o 15.70670 4.738172  27.98606       55.04455 13.02783       
84.66759 38.93684       72.44353 15.45950 6.789348 15.95390 6.611040 
-0.4944010     9.476344 
1 1 1 3   -26 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -26 1  o 76.86230 3.868287  1253.379       124.8277 1253.379       
124.8277 0.000000       0.000000 76.86230 3.868287 ?        ?        ? ? 
1 1 1 3   -26 2  o 143.7438 4.519929  4373.712       219.1600 4304.474       
244.8846 4652.300       491.2115 142.2637 4.100042 145.2239 8.056594 -2.960159 
9.039859 
1 1 1 3   -26 3  o 104.8370 2.477896  2339.436       105.8049 2363.542       
134.6593 2300.543       171.0452 105.6845 3.034910 103.9894 3.917804 1.695084 
4.955792 
1 1 1 3   -26 4  o 35.19821 3.426250  266.7060       50.50078 252.7812       
72.71124 279.6830       70.19308 34.27372 5.053142 36.12270 4.628445 -1.848988 
6.852499 
1 1 1 3   -26 5  o 18.27934 5.308915  17.39712       67.94929 -35.26363      
92.91812 77.92988       99.62129 15.34967 6.898597 21.20901 8.071410 -5.859340 
10.61783 
1 1 1 3   -26 6  o 40.24050 4.166029  352.3559       70.15041 324.8850       
94.72487 385.7212       104.3937 38.52469 5.856604 41.95630 5.926499 -3.431610 
8.332059 
1 1 1 3   -26 7  o 59.95304 3.338540  774.0417       83.73600 730.7537       
112.7897 827.1999       124.9889 58.13379 4.621275 61.77230 4.819462 -3.638519 
6.677081 
1 1 1 3   -26 8  f 63.98626 3.661802  920.2731       94.53615 1009.428       
122.2619 787.7165       149.0801 68.36855 4.259474 59.60398 5.957520 8.764568 
7.323603 
1 1 1 3   -26 9  o 33.38630 5.040303  275.4041       69.46960 350.1909       
91.76228 174.9883       106.3291 39.79318 5.492583 26.97943 8.452818 12.81375 
10.08061 
1 1 1 3   -26 10 o 21.88945 5.486925  93.16817       69.78172 168.7285       
95.71457 7.437001       101.9531 26.39114 7.970688 17.38775 7.542778 9.003393 
10.97385 
1 1 1 3   -26 11 o 59.17123 3.434377  776.3470       84.48040 797.7214       
113.0020 749.2635       127.2011 60.32791 4.461584 58.01456 5.222457 2.313347 
6.868754 
1 1 1 3   -26 12 o 22.73935 5.697018  116.9232       70.35447 163.6962       
98.89101 68.98734       100.1127 25.62121 8.169060 19.85748 7.942954 5.763731 
11.39404 
1 1 1 3   -26 13 o 13.30657 4.432081  -83.96560      65.65619 -135.0127      
96.41277 -39.82027      89.65847 12.30156 5.965018 14.31157 6.556824 -2.010015 
8.864162 
1 1 1 3   -26 14 o 29.10043 4.793006  219.7900       56.36289 171.9395       
99.10445 242.6662       68.52384 25.52362 8.181911 32.67723 4.994793 -7.153612 
9.586012 
1 1 1 3   -26 15 o 16.67331 4.540621  41.18346       53.64191 -80.56154      
91.10044 105.7954       66.36690 12.84285 6.126491 20.50376 6.703362 -7.660905 
9.081242 
1 1 1 3   -25 0  o 36.78427 5.229482  288.1286       80.76064 288.1286       
80.76064 0.000000       0.000000 36.78427 5.229482 ?        ?        ? ? 
1 1 1 3   -25 1  o 68.97797 3.251162  1039.007       89.31111 1112.367       
112.4253 913.5184       147.0408 72.51563 3.692782 65.44029 5.351970 7.075340 
6.502325 
1 1 1 3   -25 2  f 141.1302 3.838242  4007.154       138.9490 3943.821       
146.3613 4585.344       442.2280 136.7941 2.548472 145.4662 7.241111 -8.672043 
7.676483 
1 1 1 3   -25 3  o 64.07805 2.449629  873.0920       65.32749 1009.781       
92.73688 738.4462       92.04111 69.11912 3.195769 59.03699 3.713460 10.08213 
4.899258 
1 1 1 3   -25 4  o 34.32155 3.736159  259.3943       51.45964 203.7221       
73.15398 313.9273       72.40170 30.26127 5.970573 38.38182 4.493081 -8.120548 
7.472317 
1 1 1 3   -25 5  o 45.92375 3.056969  458.9409       56.96960 593.5173       
80.71376 325.3378       80.42139 52.87723 3.635800 38.97027 4.915404 13.90696 
6.113938 
1 1 1 3   -25 6  o 25.32950 4.659122  159.6193       55.35611 212.7898       
66.32040 37.49146       100.5123 31.45650 5.021781 19.20251 7.849292 12.25399 
9.318244 
1 1 1 3   -25 7  o 32.57751 5.216753  244.2101       69.73978 229.0775       
96.60138 260.6821       100.7855 31.49904 7.418638 33.65598 7.336339 -2.156940 
10.43351 
1 1 1 3   -25 8  o 52.13321 3.800295  586.0350       82.80375 526.8161       
111.2530 659.5812       123.9829 49.20318 5.385668 55.06324 5.363166 -5.860058 
7.600590 
1 1 1 3   -25 9  o 15.32597 4.843463  -28.63979      64.42446 -3.640792      
86.67370 -59.50364      96.30548 15.94662 6.936675 14.70531 6.761588 1.241309 
9.686926 
1 1 1 3   -25 10 o 46.65237 3.858668  479.9237       75.38844 495.0131       
104.1842 463.3387       109.2250 47.51434 5.222739 45.79041 5.681574 1.723938 
7.717337 
1 1 1 3   -25 11 o 25.18503 5.463233  149.9894       63.27900 136.1769       
87.73868 164.9625       91.35061 24.11271 7.695321 26.25736 7.756912 -2.144651 
10.92647 
1 1 1 3   -25 12 o 62.23575 3.325852  850.5551       86.86377 821.6969       
122.6542 879.5927       123.0345 61.13228 4.778955 63.33922 4.626743 -2.206944 
6.651703 
1 1 1 3   -25 13 o 16.31425 5.004576  2.412334       62.74728 33.76785       
98.48518 -19.01273      81.40949 18.11844 7.619160 14.51005 6.490880 3.608396 
10.00915 
1 1 1 3   -25 14 o 51.64718 3.046899  580.4836       61.52204 606.2609       
109.7035 568.6573       74.30654 52.04402 5.020773 51.25034 3.453436 0.7936821 
6.093799 
1 1 1 3   -25 15 o 22.47999 5.027580  115.2276       53.16932 173.7416       
86.03313 79.06849       67.63079 26.13997 7.466177 18.82000 6.735163 7.319969 
10.05516 
1 1 1 3   -25 16 o 21.04544 4.803434  116.6467       51.97700 43.89284       
94.59734 148.1099       62.20893 17.62210 7.441520 24.46878 6.075830 -6.846676 
9.606869 
1 1 1 3   -25 17 f 44.79537 3.613029  447.7325       64.42249 536.4654       
113.8452 405.9341       78.13626 47.33618 5.728523 42.25456 4.404535 5.081619 
7.226057 
1 1 1 3   -24 0  o 97.60271 3.236433  1952.692       119.4870 1874.106       
139.8780 2164.838       229.8239 94.25002 3.534996 100.9554 5.422341 -6.705360 
6.472865 
1 1 1 3   -24 1  o 22.96745 5.047864  118.6812       57.32666 158.6849       
68.11111 21.49898       106.1601 26.74806 6.184069 19.18683 7.980039 7.561230 
10.09573 
1 1 1 3   -24 2  o 59.06419 2.426255  738.8585       59.95752 797.8083       
84.02797 677.7125       85.57877 61.48886 3.254981 56.63953 3.598881 4.849327 
4.852509 
1 1 1 3   -24 3  o 45.84792 2.962363  449.6642       56.03912 548.7683       
79.69301 352.7271       78.81683 50.93795 3.726489 40.75790 4.606046 10.18005 
5.924726 
1 1 1 3   -24 4  o 134.8136 2.472310  3896.000       136.5017 4117.901       
177.7284 3576.838       213.1483 139.6798 3.030710 129.9474 3.906926 9.732330 
4.944621 
1 1 1 3   -24 5  o 37.80990 3.242994  301.9297       51.12788 256.3747       
69.35211 356.1657       75.67203 34.68929 4.761955 40.93050 4.403615 -6.241207 
6.485989 
1 1 1 3   -24 6  o 106.5113 2.455259  2425.793       108.3041 2572.591       
144.6291 2238.382       163.4162 110.3054 3.123058 102.7173 3.789419 7.588089 
4.910518 
1 1 1 3   -24 7  o 36.27325 3.592973  295.0535       51.36527 350.0863       
69.25753 227.7764       76.57542 40.55339 4.067812 31.99311 5.923741 8.560280 
7.185946 
1 1 1 3   -24 8  f 24.55588 5.580953  128.9258       64.33777 109.3967       
82.90471 158.4952       102.0137 22.59421 7.492150 26.51755 8.273804 -3.923334 
11.16191 
1 1 1 3   -24 9  o 33.19873 4.788410  250.7853       66.19830 136.8852       
91.20126 377.6156       96.23881 24.69707 7.842048 41.70039 5.497069 -17.00332 
9.576820 
1 1 1 3   -24 10 o 72.23286 3.243805  1116.593       97.43521 1064.624       
128.0376 1188.097       150.1858 70.35546 4.334717 74.11025 4.826936 -3.754791 
6.487610 
1 1 1 3   -24 11 o 18.97641 5.210593  57.14182       60.10785 34.74147       
85.36848 79.16502       84.64677 17.68182 7.231798 20.27101 7.503480 -2.589188 
10.42119 
1 1 1 3   -24 12 o 28.01201 5.219640  189.0063       62.45707 162.0526       
95.30540 209.2954       82.68764 26.11798 7.966766 29.90605 6.746053 -3.788073 
10.43928 
1 1 1 3   -24 13 o 44.56013 3.720752  435.0342       68.59747 546.5025       
102.0642 343.1971       92.64176 49.87976 4.873827 39.24051 5.623326 10.63925 
7.441504 
1 1 1 3   -24 14 o 37.46173 3.911184  293.3919       56.16040 368.9195       
107.7667 265.2332       65.80186 40.14901 6.393382 34.77444 4.507119 5.374565 
7.822369 
1 1 1 3   -24 15 o 25.65517 4.948537  147.7925       57.94555 249.2848       
90.40086 77.01247       75.49379 32.10650 6.904690 19.20384 7.090651 12.90266 
9.897075 
1 1 1 3   -24 16 o 43.27301 3.369562  407.7439       58.29599 455.5422       
100.9362 383.8195       71.41025 44.76818 5.370299 41.77783 4.071324 2.990353 
6.739124 
1 1 1 3   -24 17 o 45.23110 3.801659  496.6438       64.20604 407.6713       
114.0080 537.9694       77.69930 41.03649 6.617380 49.42572 3.744425 -8.389225 
7.603317 
1 1 1 3   -24 18 o 20.05013 5.364297  93.23599       58.81812 118.8854       
103.8909 81.13631       71.35521 21.50434 8.225404 18.59593 6.888066 2.908417 
10.72859 
1 1 1 3   -23 0  o 88.29868 3.250175  1496.163       93.82984 1415.412       
102.8345 1897.616       229.2886 82.00181 2.987010 94.59556 5.773415 -12.59375 
6.500350 
1 1 1 3   -23 1  o 46.16889 3.024066  461.8175       56.65997 587.2196       
79.31413 331.1241       80.97013 52.77769 3.579491 39.56010 4.875156 13.21759 
6.048132 
1 1 1 3   -23 2  f 99.27628 2.252711  2065.252       93.53003 1953.123       
125.7329 2204.172       139.9491 96.28477 3.110372 102.2678 3.259511 -5.983017 
4.505421 
1 1 1 3   -23 3  o 98.15277 2.405149  2031.130       99.06432 2001.758       
137.6159 2062.721       142.7197 97.42171 3.364603 98.88383 3.437793 -1.462112 
4.810299 
1 1 1 3   -23 4  o 65.10342 2.485372  886.4913       66.61842 853.8593       
85.47240 936.9952       106.3328 63.62383 3.199832 66.58301 3.803862 -2.959183 
4.970744 
1 1 1 3   -23 5  o 88.54053 2.333971  1656.430       86.15914 1919.031       
123.9101 1410.614       119.8845 95.37083 3.094655 81.71024 3.494680 13.66058 
4.667942 
1 1 1 3   -23 6  o 60.34316 2.461988  770.7123       62.25747 786.7612       
86.02790 753.0644       90.21175 61.01840 3.358146 59.66792 3.601167 1.350487 
4.923977 
1 1 1 3   -23 7  o 31.01466 3.765179  208.6783       48.06517 210.7595       
67.77122 206.5719       68.17945 31.41297 5.138748 30.61636 5.504504 0.7966099 
7.530358 
1 1 1 3   -23 8  o 40.47064 3.237672  344.1679       53.89487 454.1077       
81.29157 257.9458       71.99084 46.20542 4.190576 34.73587 4.936512 11.46955 
6.475344 
1 1 1 3   -23 9  f 25.30064 4.514843  146.9971       48.15971 119.8883       
73.36536 167.5237       63.84003 23.23474 6.970508 27.36654 5.739971 -4.131796 
9.029687 
1 1 1 3   -23 10 o 66.63008 3.092084  943.8544       85.39534 1170.473       
126.2269 752.6024       115.9598 74.04445 4.060508 59.21571 4.664356 14.82874 
6.184169 
1 1 1 3   -23 11 o 45.31649 4.227761  404.0077       76.23816 630.8989       
135.5739 299.0788       92.19662 53.66451 6.017416 36.96847 5.940248 16.69604 
8.455522 
1 1 1 3   -23 12 o 59.84962 3.399411  754.5787       84.21246 627.5820       
109.2447 940.5561       132.2009 53.80537 4.836106 65.89387 4.778708 -12.08850 
6.798821 
1 1 1 3   -23 13 f 59.58453 3.446005  770.5603       86.00954 707.8342       
117.6123 842.6696       126.1028 56.96891 4.917404 62.20015 4.828968 -5.231232 
6.892010 
1 1 1 3   -23 14 o 24.92661 4.916758  157.0348       54.36814 88.18445       
99.28462 186.5231       64.97607 21.28827 8.070552 28.56494 5.618204 -7.276665 
9.833515 
1 1 1 3   -23 15 o 26.44995 5.040994  171.5526       57.67366 138.9427       
89.50861 194.7024       75.41583 24.15274 7.779066 28.74715 6.413472 -4.594406 
10.08199 
1 1 1 3   -23 16 o 53.99109 3.010606  648.8216       65.92866 592.4175       
104.9999 685.5319       84.70854 51.69502 4.837947 56.28716 3.584586 -4.592133 
6.021212 
1 1 1 3   -23 17 o 20.12991 5.105471  86.48840       51.51815 106.0956       
93.82440 78.02512       61.64210 21.58869 7.912282 18.67114 6.454388 2.917553 
10.21094 
1 1 1 3   -23 18 o 22.66026 5.016187  134.3253       54.84170 77.62070       
98.32741 159.9301       66.07340 19.74445 7.881454 25.57607 6.207352 -5.831623 
10.03237 
1 1 1 3   -23 19 o 27.54645 6.070318  204.9652       69.18240 236.4325       
153.5204 196.9465       77.49741 27.37898 10.11099 27.71391 6.720331 
-0.3349304     12.14064 
1 1 1 3   -22 0  o 77.10744 2.080608  1254.957       67.08302 1376.694       
94.50465 1131.320       95.23907 80.89799 2.782508 73.31688 3.094085 7.581108 
4.161215 
1 1 1 3   -22 1  o 223.9855 3.098517  10386.55       246.8492 10969.34       
516.2327 10213.79       281.0646 227.6725 5.400774 220.2986 3.038894 7.373886 
6.197035 
1 1 1 3   -22 2  o 87.24991 2.370472  1617.184       86.00841 1742.252       
116.9654 1469.942       126.9109 90.97839 3.062247 83.52142 3.619280 7.456963 
4.740943 
1 1 1 3   -22 3  o 102.2674 2.147072  2189.287       91.90043 2367.420       
136.6628 2042.239       124.1675 106.0400 3.069740 98.49478 3.002728 7.545250 
4.294144 
1 1 1 3   -22 4  o 105.1340 2.393795  2345.474       103.5770 2414.741       
134.9574 2246.198       161.5678 107.0812 3.001958 103.1867 3.729512 3.894493 
4.787589 
1 1 1 3   -22 5  o 59.63403 2.484832  759.9061       61.40417 857.5010       
84.39242 650.1143       89.51064 63.78436 3.151449 55.48369 3.842646 8.300671 
4.969664 
1 1 1 3   -22 6  o 102.6588 2.307248  2226.996       99.14759 2170.237       
144.8340 2277.052       136.0131 101.4036 3.402031 103.9140 3.117653 -2.510437 
4.614497 
1 1 1 3   -22 7  o 95.80811 2.452432  1940.510       95.44517 1934.267       
155.9317 1944.250       120.6969 95.60689 3.884780 96.00933 2.994359 
-0.4024429     4.904865 
1 1 1 3   -22 8  o 46.54881 2.838148  460.5643       55.27182 420.0440       
78.62575 500.1509       77.71455 44.49668 4.208800 48.60093 3.808718 -4.104252 
5.676295 
1 1 1 3   -22 9  o 43.57436 2.874521  404.1311       52.38907 443.0000       
73.96532 365.0004       74.21397 45.70700 3.854486 41.44170 4.265492 4.265301 
5.749042 
1 1 1 3   -22 10 f 128.0160 2.786338  3482.051       135.1451 3481.408       
159.8951 3483.660       252.8759 128.3330 2.967686 127.6990 4.716732 0.6340256 
5.572676 
1 1 1 3   -22 11 o 58.67042 3.030774  650.8680       65.59446 571.2471       
74.65016 920.6129       137.4022 51.88071 3.427251 65.46012 4.999631 -13.57941 
6.061548 
1 1 1 3   -22 12 o 20.55973 5.511326  73.56839       65.62276 89.55635       
84.86163 49.78734       103.4976 21.19117 7.548433 19.92830 8.032435 1.262873 
11.02265 
1 1 1 3   -22 13 o 50.40280 3.706637  533.1776       77.02483 448.4268       
98.40528 667.2329       123.7624 45.43904 5.158343 55.36656 5.324295 -9.927513 
7.413273 
1 1 1 3   -22 14 o 46.47131 3.374249  492.3919       59.48279 408.9869       
104.8473 531.9778       72.23237 43.05107 5.800889 49.89156 3.448465 -6.840481 
6.748497 
1 1 1 3   -22 15 o 83.33649 2.635100  1491.946       90.16273 1500.514       
143.3449 1486.337       115.9781 83.32697 4.097487 83.34599 3.314456 
-0.1902008E-01 5.270201 
1 1 1 3   -22 16 o 64.50769 3.657526  970.5165       87.57492 800.5823       
158.8670 1044.696       104.9628 59.36967 6.373680 69.64571 3.589733 -10.27604 
7.315051 
1 1 1 3   -22 17 o 24.51163 5.590831  144.1227       60.50596 131.2178       
124.7414 148.0930       69.19034 24.12151 9.072803 24.90176 6.535580 
-0.7802486     11.18166 
1 1 1 3   -22 18 o 64.21182 3.813470  827.4114       83.07642 1126.379       
193.9872 760.2643       91.93359 69.30267 6.667210 59.12097 3.703853 10.18170 
7.626940 
1 1 1 3   -22 19 o 54.83459 4.163070  616.4370       83.29668 886.5851       
176.7941 539.3586       94.43504 60.56723 6.952662 49.10195 4.580949 11.46528 
8.326139 
1 1 1 3   -22 20 o 57.43908 4.854949  820.2257       93.52917 805.7418       
199.8541 824.2874       105.8339 54.25084 8.774607 60.62732 4.157934 -6.376480 
9.709899 
1 1 1 3   -21 0  o 155.7206 2.944586  5142.766       185.3540 5222.181       
233.5883 5007.747       304.5775 157.4560 3.533565 153.9851 4.711292 3.470825 
5.889173 
1 1 1 3   -21 1  o 167.1663 2.511084  5815.793       162.8225 6069.364       
295.9817 5705.759       194.9754 169.6430 4.155755 164.6896 2.819907 4.953461 
5.022168 
1 1 1 3   -21 2  o 64.99423 2.268952  898.1932       61.10027 957.6088       
81.82341 823.3028       91.86305 67.46549 2.888796 62.52297 3.499632 4.942520 
4.537903 
1 1 1 3   -21 3  o 230.1526 3.748690  11148.00       291.9887 11108.78       
327.1599 11301.53       647.3446 229.6814 3.392777 230.6237 6.685788 
-0.9423676     7.497379 
1 1 1 3   -21 4  o 91.87866 2.319329  1801.800       87.62251 1918.461       
115.2263 1641.837       134.9264 95.48605 2.874304 88.27129 3.640815 7.214760 
4.638659 
1 1 1 3   -21 5  o 31.33693 3.880334  208.4785       49.38185 264.8708       
74.43342 164.1436       65.99800 35.38411 5.010497 27.28975 5.926457 8.094360 
7.760669 
1 1 1 3   -21 6  o 41.65745 3.103879  365.6111       54.07301 322.6560       
74.40459 413.6925       78.71925 39.06280 4.536881 44.25210 4.237095 -5.189301 
6.207758 
1 1 1 3   -21 7  o 95.79517 2.412093  1962.742       95.55500 2156.684       
128.9195 1726.298       142.3463 101.1681 3.035262 90.42223 3.749661 10.74586 
4.824186 
1 1 1 3   -21 8  o 121.5903 2.331337  3032.421       109.9398 3347.181       
202.3836 2900.654       130.9451 125.8300 3.830998 117.3506 2.657816 8.479424 
4.662675 
1 1 1 3   -21 9  f 39.30915 3.355656  327.8970       54.20833 325.9394       
69.78052 330.8764       86.08630 39.21023 4.238926 39.40807 5.203193 
-0.1978378     6.711313 
1 1 1 3   -21 10 o 151.4750 3.042246  4872.383       193.4184 4869.730       
270.4024 4875.163       276.7788 151.4528 4.252599 151.4972 4.351603 
-0.4443359E-01 6.084492 
1 1 1 3   -21 11 o 148.8856 3.708867  4745.447       194.1901 4744.829       
221.1210 4747.534       406.0176 149.6696 3.518986 148.1016 6.529893 1.567947 
7.417734 
1 1 1 3   -21 12 o 52.62309 3.128972  593.9165       68.60358 617.7992       
92.70430 565.0035       102.0009 53.86011 4.099716 51.38607 4.728022 2.474033 
6.257944 
1 1 1 3   -21 13 o 91.83655 2.827888  1806.556       108.5332 1706.535       
158.3696 1895.133       149.0337 89.34501 4.222044 94.32809 3.763263 -4.983078 
5.655776 
1 1 1 3   -21 14 o 51.02908 4.525632  600.9260       85.56924 510.8002       
157.2793 638.8198       101.9839 47.55271 7.878025 54.50544 4.456693 -6.952724 
9.051265 
1 1 1 3   -21 15 f 33.17603 5.274804  238.9988       63.92332 299.5124       
129.6534 219.5652       73.47415 35.20972 8.788860 31.14234 5.835251 4.067381 
10.54961 
1 1 1 3   -21 16 o 68.95802 3.181284  1072.910       87.87635 752.6531       
128.8359 1351.524       120.1682 58.54047 5.242056 79.37556 3.605985 -20.83509 
6.362568 
1 1 1 3   -21 17 o 28.70635 5.526597  193.2617       60.93090 206.9576       
127.9882 189.2480       69.28617 28.82316 9.303960 28.58953 5.967363 0.2336311 
11.05319 
1 1 1 3   -21 18 f 35.46706 5.412117  269.4818       65.41725 370.2907       
150.1886 245.8784       72.67323 37.70344 9.488420 33.23069 5.209022 4.472755 
10.82423 
1 1 1 3   -21 19 o 27.88154 5.955509  198.0291       70.41748 185.2488       
143.6668 202.0704       80.78724 26.89007 9.797158 28.87300 6.774071 -1.982933 
11.91102 
1 1 1 3   -21 20 o 20.70495 5.353354  97.95233       69.40783 -121.7418      
156.7422 151.5386       77.41115 16.78890 8.015356 24.62101 7.098428 -7.832109 
10.70671 
1 1 1 3   -21 21 f 30.20238 6.808258  261.1605       94.96320 340.8289       
156.1561 214.4069       119.6255 33.10021 10.21835 27.30454 8.999715 5.795666 
13.61652 
1 1 1 3   -20 0  o 30.66999 3.675330  202.7709       45.31839 148.6061       
62.26639 263.7803       66.08358 25.98199 5.849313 35.35799 4.451712 -9.376003 
7.350660 
1 1 1 3   -20 1  o 57.62926 2.329226  702.0666       56.12248 749.9314       
77.83571 650.2347       80.99700 59.69289 3.105828 55.56564 3.472031 4.127247 
4.658451 
1 1 1 3   -20 2  f 39.31417 2.918014  328.3450       47.57285 388.8090       
67.48603 268.6202       67.07220 42.95449 3.742194 35.67385 4.478305 7.280643 
5.836029 
1 1 1 3   -20 3  o 25.39362 4.194075  143.4421       43.82553 156.2735       
58.92741 127.5603       65.55891 26.69867 5.445732 24.08857 6.380052 2.610100 
8.388150 
1 1 1 3   -20 4  o 61.81802 2.344843  804.0195       60.72097 879.9668       
87.20258 732.5356       84.60133 64.65557 3.212510 58.98048 3.416567 5.675095 
4.689685 
1 1 1 3   -20 5  o 120.7290 2.740759  3049.010       138.3730 3427.931       
205.7161 2735.907       186.9983 127.5320 3.842113 113.9260 3.909631 13.60596 
5.481519 
1 1 1 3   -20 6  f 154.6190 3.054655  5007.284       197.1896 5395.947       
298.5356 4706.473       262.6373 159.8769 4.447659 149.3612 4.188317 10.51567 
6.109310 
1 1 1 3   -20 7  f 48.25756 2.665990  488.9293       53.87895 461.9438       
73.10679 521.0128       79.71392 46.80910 3.720047 49.70602 3.819849 -2.896919 
5.331979 
1 1 1 3   -20 8  o 109.4828 2.602343  2529.534       119.5446 2633.926       
169.2566 2425.622       168.8672 111.7481 3.607669 107.2175 3.751464 4.530579 
5.204686 
1 1 1 3   -20 9  o 151.2220 3.204775  4661.818       193.9359 4283.709       
236.4874 5438.284       338.8917 142.3690 3.956522 160.0750 5.042645 -17.70601 
6.409550 
1 1 1 3   -20 10 o 157.4286 3.931237  5274.252       255.7220 5226.776       
332.7716 5342.722       399.6304 156.7764 5.055762 158.0808 6.021443 -1.304352 
7.862474 
1 1 1 3   -20 11 o 36.80629 3.912147  283.5995       59.77232 250.9622       
77.75158 330.7584       93.46187 34.28497 5.401651 39.32761 5.660541 -5.042645 
7.824293 
1 1 1 3   -20 12 o 69.15804 2.815459  1006.554       80.43496 970.6793       
103.9947 1059.970       126.8982 67.69397 3.659167 70.62212 4.279922 -2.928146 
5.630918 
1 1 1 3   -20 13 o 38.27055 4.937346  334.9805       75.45178 269.1991       
115.0234 384.6649       99.96421 34.26950 8.110622 42.27161 5.632703 -8.002110 
9.874692 
1 1 1 3   -20 14 o 50.24625 4.705698  576.5792       90.07556 348.7824       
126.1024 813.8934       128.7097 38.95993 7.984445 61.53258 4.982271 -22.57265 
9.411396 
1 1 1 3   -20 15 o 60.58295 3.920852  875.2686       82.01848 653.3866       
160.9779 953.0619       95.31826 54.23256 7.070128 66.93333 3.391991 -12.70078 
7.841704 
1 1 1 3   -20 16 o 30.43985 5.329294  210.7307       65.80930 245.5268       
109.8917 191.2742       82.17361 32.16109 8.129942 28.71861 6.892716 3.442474 
10.65859 
1 1 1 3   -20 17 o 32.49393 5.025747  284.6844       61.97319 151.9770       
121.3131 331.5470       72.08969 25.85313 9.043288 39.13474 4.387648 -13.28161 
10.05149 
1 1 1 3   -20 18 o 41.37975 5.017853  436.1089       70.26301 325.0883       
138.2585 474.7658       81.58365 35.95929 9.136453 46.80021 4.152182 -10.84092 
10.03571 
1 1 1 3   -20 19 o 23.65728 5.700816  134.7551       63.67694 71.80787       
144.0268 150.0488       70.99223 22.22012 9.271621 25.09444 6.635830 -2.874321 
11.40163 
1 1 1 3   -20 20 o 31.17232 5.782570  273.4885       74.93451 146.4023       
165.6697 306.1761       84.02054 25.49953 10.21031 36.84511 5.431586 -11.34558 
11.56514 
1 1 1 3   -20 21 o 18.98125 8.625464  -14.45544      149.9330 -14.45544      
149.9330 0.000000       0.000000 18.98125 8.625464 ?        ?        ? ? 
1 1 1 3   -20 22 o 16.75743 7.076541  36.14655       85.54871 0.000000       
0.000000 36.14655       85.54871 ?        ?        16.75743 7.076541 ? ? 
1 1 1 3   -20 23 f 63.72554 4.771628  981.4220       109.1840 1088.841       
221.0910 946.7751       125.5635 63.21590 8.330400 64.23518 4.655985 -1.019287 
9.543257 
1 1 1 3   -19 0  o 216.0418 3.449858  10003.12       302.9956 10541.05       
389.2882 9176.437       482.5902 223.6781 4.145423 208.4054 5.515573 15.27271 
6.899715 
1 1 1 3   -19 1  o 56.35611 2.371832  671.4592       55.12425 839.2784       
79.61520 516.9243       76.39912 63.16534 3.002191 49.54688 3.672765 13.61846 
4.743665 
1 1 1 3   -19 2  o 111.7217 2.336591  2672.539       106.3089 2838.722       
137.2973 2423.745       167.9918 116.1747 2.814955 107.2687 3.730235 8.906082 
4.673181 
1 1 1 3   -19 3  o 130.2346 2.584280  3574.169       140.0393 3582.044       
186.1542 3563.902       212.5516 130.4308 3.399490 130.0385 3.893261 0.3922729 
5.168560 
1 1 1 3   -19 4  o 57.76935 2.432520  704.2902       58.73900 785.3360       
83.49524 624.8767       82.65019 61.07635 3.256190 54.46235 3.614670 6.614002 
4.865039 
1 1 1 3   -19 5  o 157.5814 3.067982  5227.931       202.7355 5571.147       
294.2917 4917.933       279.6880 162.4976 4.313722 152.6653 4.363699 9.832306 
6.135965 
1 1 1 3   -19 6  o 164.4233 3.006402  5781.815       181.7830 5869.884       
212.0421 5537.601       353.0985 167.0153 3.024036 161.8313 5.197021 5.183960 
6.012805 
1 1 1 3   -19 7  o 60.08394 2.624036  761.4094       64.95481 764.5280       
84.22118 756.8312       102.0430 60.25795 3.329109 59.90993 4.057005 0.3480263 
5.248072 
1 1 1 3   -19 8  f 174.4032 4.214669  6455.342       308.3174 6757.654       
435.4050 6151.298       436.6509 178.5464 5.808492 170.2600 6.108615 8.286362 
8.429338 
1 1 1 3   -19 9  o 147.1941 3.733376  4655.482       210.3883 4754.992       
252.0883 4427.088       381.9105 150.1089 4.000066 144.2793 6.304908 5.829681 
7.466753 
1 1 1 3   -19 10 o 93.21452 3.033132  1869.488       114.2103 1968.147       
145.3849 1710.469       184.5764 96.58430 3.585369 89.84474 4.893330 6.739555 
6.066263 
1 1 1 3   -19 11 o 33.31194 5.268306  237.2543       69.95395 296.4856       
116.6956 204.0309       87.39793 36.38094 7.863108 30.24294 7.013680 6.137999 
10.53661 
1 1 1 3   -19 12 o 96.05737 3.745992  1968.635       150.7121 1940.232       
219.9054 1993.792       206.9612 95.34824 5.493439 96.76649 5.094306 -1.418243 
7.491984 
1 1 1 3   -19 13 o 46.04059 4.075726  438.7965       75.99969 513.4712       
129.0658 399.1608       94.03036 48.84372 6.293954 43.23746 5.179991 5.606258 
8.151452 
1 1 1 3   -19 14 o 99.63330 4.132563  2117.951       167.3703 2216.627       
275.8152 2060.438       210.5714 101.1586 6.494363 98.10802 5.112294 3.050552 
8.265125 
1 1 1 3   -19 15 o 58.63315 3.362789  701.3965       71.70622 808.9579       
147.7460 668.2537       82.01291 61.15581 5.754385 56.11049 3.481442 5.045319 
6.725577 
1 1 1 3   -19 16 o 82.06628 3.294708  1463.351       111.7897 1341.565       
169.0969 1557.900       148.9934 78.80358 5.111059 85.32898 4.159024 -6.525398 
6.589416 
1 1 1 3   -19 17 o 23.52555 4.849582  131.5755       64.65685 -81.89606      
121.8388 215.2593       76.28449 16.25875 7.526043 30.79235 6.118206 -14.53359 
9.699163 
1 1 1 3   -19 18 o 77.24908 3.450897  1296.225       96.55353 1306.335       
193.2341 1292.861       111.4660 76.73320 5.998208 77.76497 3.414125 -1.031769 
6.901793 
1 1 1 3   -19 19 o 21.89288 5.436562  101.0876       72.83261 -106.4097      
147.0903 168.4864       83.83086 17.20141 8.063679 26.58435 7.293963 -9.382938 
10.87312 
1 1 1 3   -19 20 o 17.55610 5.664094  -62.72454      89.27150 29.15659       
147.5037 -115.8316      112.1414 20.85622 9.060376 14.25598 6.799811 6.600235 
11.32819 
1 1 1 3   -19 21 o 25.13514 9.854053  144.2970       151.2446 0.000000       
0.000000 144.2970       151.2446 ?        ?        25.13514 9.854053 ? ? 
1 1 1 3   -19 22 o 22.17904 6.288631  67.18298       81.43972 206.7253       
158.3306 16.98243       94.96554 27.50945 10.24631 16.84863 7.293880 10.66082 
12.57726 
1 1 1 3   -19 23 o 30.29855 6.416705  260.9568       84.35972 267.7563       
157.5161 258.2222       99.89362 29.30556 10.29956 31.29155 7.656079 -1.985989 
12.83341 
1 1 1 3   -19 24 o 20.12461 6.144851  62.55948       80.62777 142.5240       
171.3045 39.80396       91.38261 23.23084 9.919579 17.01837 7.255255 6.212471 
12.28970 
1 1 1 3   -18 0  o 105.7300 2.256295  2275.078       97.68288 2690.642       
161.1479 2033.685       122.8197 113.1054 3.393614 98.35456 2.974366 14.75082 
4.512590 
1 1 1 3   -18 1  o 74.73799 1.942210  1174.939       60.27573 1179.484       
79.65878 1168.852       92.19398 74.91486 2.532718 74.56113 2.945176 0.3537292 
3.884420 
1 1 1 3   -18 2  o 156.3607 2.433675  5138.646       153.3569 5164.765       
255.9139 5124.012       191.5619 156.6189 3.891981 156.1026 2.922941 0.5163727 
4.867351 
1 1 1 3   -18 3  o 138.3726 2.935333  3998.762       168.3932 4253.848       
262.8355 3821.154       219.3167 142.0493 4.407232 134.6959 3.878275 7.353424 
5.870665 
1 1 1 3   -18 4  o 98.66087 2.274454  2067.630       93.21074 2222.705       
126.1632 1881.249       138.3127 102.7938 2.923390 94.52792 3.485163 8.265884 
4.548909 
1 1 1 3   -18 5  o 120.5903 2.437212  3073.845       122.8785 3238.326       
169.3197 2890.831       178.6047 124.0322 3.251579 117.1485 3.631424 6.883621 
4.874424 
1 1 1 3   -18 6  o 98.13919 2.406898  2015.792       98.42038 1933.373       
130.2852 2125.341       150.2056 95.83178 3.238221 100.4466 3.561819 -4.614830 
4.813797 
1 1 1 3   -18 7  f 132.4096 3.307458  3596.424       172.1558 3414.773       
207.1637 4001.846       309.4920 127.2832 3.876714 137.5360 5.359869 -10.25279 
6.614915 
1 1 1 3   -18 8  o 174.6337 4.307261  6267.229       259.5467 6122.523       
291.5293 6820.311       569.9482 170.4003 4.075048 178.8670 7.589728 -8.466690 
8.614522 
1 1 1 3   -18 9  o 111.0016 2.823193  2603.243       131.2625 2781.161       
184.5099 2420.926       186.7771 114.8695 3.825919 107.1336 4.152590 7.735954 
5.646385 
1 1 1 3   -18 10 o 56.34934 3.475650  674.5555       80.86468 653.6259       
125.2590 689.5119       105.8864 55.55645 5.370262 57.14224 4.413712 -1.585793 
6.951300 
1 1 1 3   -18 11 o 134.6113 3.263947  3835.377       182.7050 3816.881       
277.8120 3849.473       242.5338 134.2528 4.928887 134.9699 4.280124 
-0.7171173     6.527894 
1 1 1 3   -18 12 o 29.96645 5.611450  183.5885       70.17865 273.3409       
119.3250 136.1263       86.77250 34.88984 8.263096 25.04307 7.594388 9.846767 
11.22290 
1 1 1 3   -18 13 o 92.66566 3.368283  1801.756       125.2662 1899.567       
213.2160 1750.200       154.7990 94.41264 5.379114 90.91868 4.055423 3.493958 
6.736566 
1 1 1 3   -18 14 o 74.01756 3.602588  1174.358       111.2203 1032.608       
158.4496 1312.031       156.1541 69.51318 5.429316 78.52194 4.736782 -9.008766 
7.205177 
1 1 1 3   -18 15 o 87.34045 3.381068  1627.154       103.4091 1628.709       
217.6882 1626.701       117.5146 86.97353 5.961682 87.70737 3.191368 
-0.7338486     6.762136 
1 1 1 3   -18 16 o 47.58746 3.478606  462.6862       61.01963 534.2597       
123.1986 439.4206       70.24045 49.69228 5.905246 45.48264 3.678432 4.209644 
6.957211 
1 1 1 3   -18 17 f 31.97517 5.089661  217.0190       61.98672 284.0092       
116.1520 190.3424       73.29692 34.95034 8.072567 29.00000 6.200988 5.950338 
10.17932 
1 1 1 3   -18 18 o 58.58110 3.491248  799.6332       75.84524 609.1445       
134.9062 887.6682       91.71169 52.61153 6.107619 64.55067 3.384114 -11.93914 
6.982495 
1 1 1 3   -18 19 o 37.21944 5.941889  353.5570       84.62286 263.9406       
161.8844 387.2524       99.26498 32.51003 10.46067 41.92886 5.639026 -9.418831 
11.88378 
1 1 1 3   -18 20 o 20.46689 8.828392  24.55358       138.1782 24.55358       
138.1782 0.000000       0.000000 20.46689 8.828392 ?        ?        ? ? 
1 1 1 3   -18 21 o 72.02097 4.196155  1129.657       126.8789 0.000000       
0.000000 1129.657       126.8789 ?        ?        72.02097 4.196155 ? ? 
1 1 1 3   -18 22 o 55.89628 4.558309  720.3926       94.88519 726.7352       
180.2749 717.9621       111.5933 54.82442 7.832171 56.96814 4.665813 -2.143711 
9.116618 
1 1 1 3   -18 23 o 32.69516 6.371060  285.7067       83.35026 285.2337       
169.0839 285.8585       95.79868 31.22093 10.69961 34.16938 6.919535 -2.948448 
12.74212 
1 1 1 3   -18 24 o 24.45913 6.146090  169.7971       85.55687 54.31537       
162.4761 214.1048       100.6404 20.83811 9.252059 28.08016 8.093026 -7.242046 
12.29218 
1 1 1 3   -17 0  o 100.5293 1.990106  2093.887       80.20007 2027.098       
98.85699 2222.483       137.1723 98.23132 2.397058 102.8273 3.177453 -4.596008 
3.980212 
1 1 1 3   -17 1  o 166.3611 2.529533  5609.828       151.0734 6228.980       
315.5461 5425.701       172.0769 172.0269 4.369054 160.6953 2.550590 11.33170 
5.059065 
1 1 1 3   -17 2  o 173.7981 3.370526  6332.241       245.3053 6823.019       
362.9586 5919.572       332.8250 179.9622 4.803933 167.6341 4.729060 12.32811 
6.741052 
1 1 1 3   -17 3  o 76.00447 2.419043  1226.484       75.87646 1284.774       
99.98733 1147.340       116.5084 78.16962 3.046689 73.83932 3.758293 4.330299 
4.838087 
1 1 1 3   -17 4  o 157.4083 3.132487  5208.313       206.7357 5475.331       
302.0258 4972.912       283.5818 161.1906 4.462983 153.6260 4.396781 7.564636 
6.264974 
1 1 1 3   -17 5  o 111.6122 2.888188  2562.419       115.5280 2507.371       
131.8302 2744.615       239.8365 109.1923 2.875702 114.0320 5.009677 -4.839645 
5.776376 
1 1 1 3   -17 6  o 55.77979 2.681602  652.4280       61.11712 642.6279       
77.66840 668.3641       99.04199 55.25375 3.348140 56.30583 4.189740 -1.052074 
5.363205 
1 1 1 3   -17 7  o 128.2410 3.020111  3449.919       161.2035 3331.261       
212.8303 3609.602       246.8963 125.7021 4.032849 130.7798 4.496712 -5.077637 
6.040222 
1 1 1 3   -17 8  o 30.62389 4.145366  205.6405       50.66819 216.3288       
64.89523 188.9509       81.09251 31.99941 4.830497 29.24836 6.738140 2.751055 
8.290731 
1 1 1 3   -17 9  o 129.6613 3.946294  3570.213       194.2428 3531.705       
361.4660 3585.848       230.3247 128.9349 6.677562 130.3877 4.207508 -1.452774 
7.892589 
1 1 1 3   -17 10 o 199.7390 5.962989  8540.310       444.3334 8528.067       
851.0257 8544.896       520.9830 198.7630 10.19831 200.7151 6.182506 -1.952164 
11.92598 
1 1 1 3   -17 11 o 162.9991 5.387993  5672.669       368.4694 5417.928       
519.5092 5930.542       522.6941 159.2621 7.769659 166.7360 7.466880 -7.473969 
10.77599 
1 1 1 3   -17 12 o 65.69498 3.646855  910.7073       100.3723 967.1818       
147.9333 862.5300       136.6347 67.56872 5.214845 63.82124 5.099373 3.747478 
7.293710 
1 1 1 3   -17 13 o 25.67775 5.329268  150.5547       70.19553 -3.045926      
122.8253 225.0581       85.54200 19.47146 8.359598 31.88403 6.612222 -12.41257 
10.65854 
1 1 1 3   -17 14 o 148.0529 3.916136  4650.918       239.7757 4793.926       
375.1411 4552.144       311.7724 149.7885 5.965365 146.3172 5.075321 3.471390 
7.832271 
1 1 1 3   -17 15 o 73.79872 3.034811  1078.597       82.65825 1320.693       
168.8176 1002.256       94.79918 78.71694 5.108231 68.88049 3.278154 9.836449 
6.069623 
1 1 1 3   -17 16 o 66.39296 3.042035  926.1420       76.11176 962.7975       
145.0361 912.2108       89.41290 67.10577 5.147985 65.68015 3.242553 1.425621 
6.084070 
1 1 1 3   -17 17 o 36.53658 4.416630  290.9316       61.37746 302.9274       
109.5037 285.4365       74.11390 36.55977 7.392716 36.51338 4.834691 
0.4638672E-01  8.833260 
1 1 1 3   -17 18 o 66.02513 3.366663  973.2908       85.60954 838.1133       
149.0367 1039.858       104.5854 62.13207 5.713450 69.91819 3.562885 -7.786118 
6.733325 
1 1 1 3   -17 19 o 55.12109 4.508654  689.8417       91.08235 628.1573       
173.7303 713.2233       106.9607 52.66779 7.856904 57.57439 4.425029 -4.906593 
9.017307 
1 1 1 3   -17 20 o 33.87280 9.724739  284.9563       145.5909 284.9563       
145.5909 0.000000       0.000000 33.87280 9.724739 ?        ?        ? ? 
1 1 1 3   -17 21 o 55.45985 4.231650  659.3013       93.62640 781.0022       
164.7020 601.1985       113.8023 58.66344 6.687325 52.25625 5.187209 6.407196 
8.463300 
1 1 1 3   -17 22 o 20.13643 6.007106  42.28021       81.48065 67.97768       
145.8223 30.61476       98.24937 22.20321 9.300925 18.06965 7.604872 4.133564 
12.01421 
1 1 1 3   -17 23 o 21.23321 6.032313  80.28326       84.94477 -23.72784      
155.5873 124.4519       101.3891 19.39159 8.805183 23.07484 8.247664 -3.683252 
12.06463 
1 1 1 3   -17 24 o 42.93166 6.221920  540.1842       98.96760 348.6946       
186.4548 615.2943       116.7751 33.85872 11.23579 52.00462 5.348468 -18.14590 
12.44384 
1 1 1 3   -17 25 o 24.81869 6.236814  177.8069       83.97066 72.94569       
180.4776 206.7784       94.86396 21.86427 9.725597 27.77311 7.810513 -5.908844 
12.47363 
1 1 1 3   -16 0  o 87.62338 2.461466  1595.867       85.62711 1560.169       
104.6386 1668.227       148.9756 86.17351 2.892272 89.07327 3.983719 -2.899757 
4.922932 
1 1 1 3   -16 1  o 171.2880 2.819147  6110.094       201.5693 6732.696       
305.7553 5631.505       268.0715 178.9245 4.070289 163.6515 3.901680 15.27301 
5.638294 
1 1 1 3   -16 2  f 54.45306 2.539290  625.2181       57.88300 663.2842       
80.64657 584.7736       83.12766 56.17146 3.419726 52.73466 3.754658 3.436790 
5.078581 
1 1 1 3   -16 3  o 180.8220 2.970163  7000.157       210.5329 7231.391       
257.7931 6537.087       364.8122 185.4658 3.310767 176.1783 4.932170 9.287537 
5.940327 
1 1 1 3   -16 4  o 60.46325 2.526610  746.6688       61.20294 699.0542       
74.92757 842.1303       106.0928 57.66525 3.094913 63.26125 3.994563 -5.595997 
5.053219 
1 1 1 3   -16 5  o 177.3843 3.991677  6613.931       287.2520 6535.417       
361.3215 6748.789       473.5407 176.0817 4.887656 178.6869 6.312270 -2.605240 
7.983354 
1 1 1 3   -16 6  o 116.7336 3.162588  2872.127       145.6081 2872.784       
177.7581 2870.787       253.8500 116.8328 3.623979 116.6345 5.184074 0.1982956 
6.325176 
1 1 1 3   -16 7  o 211.1967 5.081206  9422.044       444.0161 9186.967       
577.5104 9761.900       694.3882 208.1794 6.607591 214.2140 7.721034 -6.034637 
10.16241 
1 1 1 3   -16 8  o 193.2572 4.752904  7928.397       380.0102 7923.642       
496.9362 7935.095       589.7308 193.3732 6.121043 193.1412 7.272772 0.2320099 
9.505808 
1 1 1 3   -16 9  o 151.6478 4.500201  4696.210       259.4858 5319.274       
496.9384 4462.640       304.2601 157.9822 7.492307 145.3135 4.987239 12.66869 
9.000401 
1 1 1 3   -16 10 o 219.6898 6.264360  10343.48       577.1969 10450.98       
837.1062 10246.05       796.9341 220.6852 9.035005 218.6945 8.679719 1.990753 
12.52872 
1 1 1 3   -16 11 o 190.5780 5.444287  7720.930       360.9697 7790.838       
768.4562 7701.138       408.8881 190.2883 9.618958 190.8678 5.102617 
-0.5794067     10.88857 
1 1 1 3   -16 12 o 101.2383 3.753348  2162.193       158.4762 2222.837       
239.6439 2115.061       211.2671 102.4556 5.571239 100.0211 5.031083 2.434547 
7.506696 
1 1 1 3   -16 13 o 149.9974 5.262541  4805.220       325.6004 4813.452       
510.2022 4799.564       422.9193 149.8617 8.109098 150.1331 6.709684 
-0.2713776     10.52508 
1 1 1 3   -16 14 o 34.69666 5.813908  264.9195       82.96024 311.4073       
126.9218 230.2434       109.6180 37.30487 8.318332 32.08845 8.124744 5.216427 
11.62782 
1 1 1 3   -16 15 o 27.86126 5.637155  158.4700       60.21435 195.4849       
130.0032 148.3603       67.94159 29.89365 9.342723 25.82887 6.310595 4.064783 
11.27431 
1 1 1 3   -16 16 o 115.6086 3.404984  2815.776       154.1446 2918.465       
274.6042 2768.534       186.2573 116.8671 5.596751 114.3502 3.879695 2.516930 
6.809967 
1 1 1 3   -16 17 o 40.20291 4.361348  351.9677       63.84369 355.6456       
121.2330 350.5564       75.10130 39.80869 7.527950 40.59712 4.406291 
-0.7884293     8.722696 
1 1 1 3   -16 18 o 53.35950 3.401132  607.6849       73.90659 615.5831       
120.3564 602.9039       93.64085 53.51571 5.356845 53.20330 4.192256 0.3124046 
6.802264 
1 1 1 3   -16 19 o 33.65821 6.101349  240.4972       85.79923 382.1037       
144.9557 164.1318       106.4491 40.39759 8.791754 26.91884 8.462322 13.47875 
12.20270 
1 1 1 3   -16 20 o 97.78188 8.286440  2181.573       340.1773 0.000000       
0.000000 2181.573       340.1773 ?        ?        97.78188 8.286440 ? ? 
1 1 1 3   -16 21 o 91.83322 4.104241  1927.843       140.6929 1701.571       
258.5401 2023.041       167.6977 86.74870 7.098818 96.91775 4.121401 -10.16904 
8.208482 
1 1 1 3   -16 22 o 16.53943 5.206830  -43.00248      79.60754 -248.4706      
146.7983 42.59390       94.74942 14.49361 7.105435 18.58524 7.612955 -4.091625 
10.41366 
1 1 1 3   -16 23 o 36.33662 6.135835  290.8407       83.42493 440.0529       
166.9131 241.1535       96.31866 41.11206 9.795998 31.56119 7.391368 9.550877 
12.27167 
1 1 1 3   -16 24 o 30.13064 6.549476  237.9684       86.90279 230.3399       
163.6255 240.9657       102.5639 29.25684 10.47555 31.00443 7.864182 -1.747593 
13.09895 
1 1 1 3   -16 25 o 15.21598 5.080839  -68.86307      79.07870 -221.6820      
165.6498 -23.75659      89.99569 15.59087 7.619837 14.84110 6.722929 0.7497768 
10.16168 
1 1 1 3   -16 26 o 40.31352 5.872415  332.9215       88.88944 744.1844       
187.6427 213.9280       100.9330 52.67289 8.485268 27.95416 8.120423 24.71873 
11.74483 
1 1 1 3   -15 0  o 107.3591 2.334671  2434.178       104.6481 2584.449       
143.6547 2264.269       152.7536 110.9139 3.085000 103.8043 3.505073 7.109550 
4.669343 
1 1 1 3   -15 1  o 58.07230 3.024679  708.5066       73.74410 708.5066       
73.74410 0.000000       0.000000 58.07230 3.024679 ?        ?        ? ? 
1 1 1 3   -15 2  o 223.8229 3.550660  10501.35       325.3514 10723.69       
524.1007 10361.94       414.9972 225.6846 5.531386 221.9613 4.453371 3.723221 
7.101320 
1 1 1 3   -15 3  o 130.6070 2.530793  3560.448       137.7233 3393.491       
182.1506 3783.288       210.4376 127.0656 3.414474 134.1484 3.736446 -7.082886 
5.061587 
1 1 1 3   -15 4  o 111.9561 2.711448  2579.912       120.3542 2473.156       
146.2772 2803.639       211.7579 108.4760 3.211914 115.4361 4.369373 -6.960083 
5.422897 
1 1 1 3   -15 5  o 88.09357 2.823051  1636.922       102.0193 1653.395       
131.3634 1611.887       161.9428 88.67429 3.528561 87.51285 4.407688 1.161446 
5.646101 
1 1 1 3   -15 6  o 128.2428 3.258768  3450.884       157.7112 3434.473       
185.7976 3493.191       298.3220 127.7912 3.463061 128.6944 5.521366 
-0.9032211     6.517536 
1 1 1 3   -15 7  o 222.4736 6.792684  10573.09       621.6446 10506.79       
980.2779 10617.69       803.9801 221.5189 10.54046 223.4283 8.570936 -1.909363 
13.58537 
1 1 1 3   -15 8  o 115.2088 5.032926  2800.927       243.4362 0.000000       
0.000000 2800.927       243.4362 ?        ?        115.2088 5.032926 ? ? 
1 1 1 3   -15 9  o 178.3017 6.030301  6812.756       448.9732 6528.721       
661.8132 7054.930       611.1024 174.6643 9.025107 181.9392 8.000347 -7.274857 
12.06060 
1 1 1 3   -15 10 o 134.3450 4.423879  3822.380       246.1760 3863.115       
381.3821 3793.286       322.3153 134.8475 6.736565 133.8425 5.735984 1.004974 
8.847758 
1 1 1 3   -15 11 o 109.4678 3.864756  2531.836       177.4459 2389.085       
245.6389 2687.629       256.6135 106.2395 5.507215 112.6962 5.423647 -6.456635 
7.729513 
1 1 1 3   -15 12 o 85.47124 3.248802  1551.095       115.8916 1397.149       
166.9185 1694.372       161.0309 81.32115 4.889023 89.62132 4.279756 -8.300171 
6.497603 
1 1 1 3   -15 13 o 156.1445 4.184231  5175.242       265.7729 5198.760       
337.0789 5136.598       432.0897 156.8026 5.120347 155.4864 6.619155 1.316177 
8.368463 
1 1 1 3   -15 14 o 70.36934 3.727054  1066.082       108.1861 878.3723       
157.6671 1233.095       148.7211 64.34887 5.836082 76.38980 4.637227 -12.04093 
7.454108 
1 1 1 3   -15 15 o 109.1080 3.066455  2516.100       136.8532 2520.124       
219.8760 2513.555       174.8495 109.0919 4.800723 109.1241 3.816496 
-0.3225708E-01 6.132910 
1 1 1 3   -15 16 o 126.6769 3.528771  3439.715       184.7360 3205.758       
281.7670 3616.106       244.6580 122.7159 5.469029 130.6378 4.460786 -7.921906 
7.057542 
1 1 1 3   -15 17 o 33.46335 4.659190  212.9667       60.66248 350.0995       
113.3645 157.9445       71.80840 40.33183 6.694997 26.59488 6.481451 13.73695 
9.318379 
1 1 1 3   -15 18 o 49.60715 3.899204  542.0305       77.19485 473.9064       
126.1294 582.8316       97.61178 46.86910 6.409894 52.34521 4.441670 -5.476109 
7.798409 
1 1 1 3   -15 19 o 53.28402 4.562323  617.3168       101.8249 602.7939       
148.0004 630.3699       140.3113 52.61885 6.699505 53.94920 6.194819 -1.330353 
9.124646 
1 1 1 3   -15 20 o 53.43206 4.651407  612.7148       104.3434 0.000000       
0.000000 612.7148       104.3434 ?        ?        53.43206 4.651407 ? ? 
1 1 1 3   -15 21 o 38.86147 5.700557  348.6278       81.99769 348.8549       
158.1262 348.5443       95.89900 37.79639 9.861814 39.92655 5.721018 -2.130157 
11.40111 
1 1 1 3   -15 22 o 44.09322 5.304321  439.0347       85.17696 472.3330       
163.4211 426.6148       99.80573 44.08201 9.137311 44.10443 5.390069 
-0.2242279E-01 10.60864 
1 1 1 3   -15 23 o 70.33981 4.248632  1117.494       115.3998 1077.255       
205.4127 1136.050       139.4937 68.50346 7.142263 72.17617 4.603432 -3.672714 
8.497265 
1 1 1 3   -15 24 f 34.67166 6.151143  238.8372       86.17401 515.2736       
166.8885 138.3367       100.6267 45.15652 9.122220 24.18679 8.254170 20.96973 
12.30229 
1 1 1 3   -15 25 o 36.00206 6.336911  315.1031       86.62319 394.5309       
170.3285 287.3931       100.6049 37.67830 10.42305 34.32583 7.210116 3.352463 
12.67382 
1 1 1 3   -15 26 o 18.28977 5.884177  -22.62782      83.17481 68.20184       
171.4103 -50.60057      95.12411 22.24928 9.716394 14.33026 6.639715 7.919018 
11.76835 
1 1 1 3   -15 27 o 51.64180 6.060553  705.9513       103.5153 738.1105       
218.5121 696.6458       117.5414 48.44206 10.99361 54.84154 5.105077 -6.399483 
12.12111 
1 1 1 3   -14 0  o 483.4769 5.365336  48808.38       904.7449 50099.54       
1932.386 48445.87       1023.905 486.9918 9.451340 479.9619 5.081289 7.029816 
10.73067 
1 1 1 3   -14 1  o 338.5905 4.524491  23735.78       555.4122 24943.20       
1128.552 23349.86       638.0289 343.9232 7.815938 333.2577 4.560173 10.66556 
9.048982 
1 1 1 3   -14 2  o 164.0289 3.770291  5654.373       259.6416 0.000000       
0.000000 5654.373       259.6416 ?        ?        164.0289 3.770291 ? ? 
1 1 1 3   -14 3  o 229.6075 4.501353  10669.95       215.9782 10605.28       
223.2142 11619.22       855.1751 224.7144 2.365985 234.5007 8.686244 -9.786270 
9.002707 
1 1 1 3   -14 4  o 198.4356 4.800534  8332.678       392.1061 8461.749       
509.0237 8144.324       614.9051 200.4222 6.049414 196.4491 7.455542 3.973099 
9.601068 
1 1 1 3   -14 5  o 363.2175 8.481733  27864.79       1264.021 26950.23       
1612.556 29322.25       2035.673 356.0880 10.78645 370.3470 13.09243 -14.25900 
16.96347 
1 1 1 3   -14 6  o 48.54987 3.305543  489.9197       66.17368 528.0391       
105.5101 465.2030       84.96053 50.07727 5.018506 47.02247 4.303609 3.054802 
6.611085 
1 1 1 3   -14 7  o 159.9398 5.109370  5419.149       339.9695 5335.468       
514.5224 5483.994       452.9255 158.7591 7.719459 161.1205 6.695716 -2.361450 
10.21874 
1 1 1 3   -14 8  o 82.28760 3.614061  1424.487       124.8558 0.000000       
0.000000 1424.487       124.8558 ?        ?        82.28760 3.614061 ? ? 
1 1 1 3   -14 9  o 119.4180 3.844597  3030.879       183.1676 2944.967       
309.6633 3077.115       227.1703 117.9980 6.250810 120.8380 4.477845 -2.840057 
7.689195 
1 1 1 3   -14 10 o 238.4167 6.552528  12225.31       644.2793 12513.94       
842.2839 11818.28       1000.238 242.2840 8.280469 234.5494 10.15758 7.734558 
13.10506 
1 1 1 3   -14 11 o 166.9539 5.905231  5940.858       412.0921 6115.579       
615.8704 5799.215       554.5185 169.0535 8.677330 164.8542 8.011928 4.199310 
11.81046 
1 1 1 3   -14 12 o 185.7988 5.128466  7379.471       397.0820 7093.546       
592.0087 7613.302       535.3707 182.3332 7.733631 189.2643 6.737625 -6.931137 
10.25693 
1 1 1 3   -14 13 o 81.11705 3.441075  1429.506       111.2939 1253.852       
182.7878 1532.988       140.2975 76.95408 5.657657 85.28002 3.918535 -8.325943 
6.882151 
1 1 1 3   -14 14 o 59.10881 3.683372  741.4868       90.81699 713.3062       
134.8458 764.8799       122.8587 58.04935 5.533007 60.16827 4.863616 -2.118923 
7.366745 
1 1 1 3   -14 15 o 89.59705 3.363628  1689.004       112.7850 1713.681       
216.2463 1679.783       132.1881 89.90739 5.728940 89.28672 3.526359 0.6206665 
6.727255 
1 1 1 3   -14 16 o 37.53608 4.532904  298.7221       62.47234 321.2963       
119.3720 290.2072       73.31374 38.04356 7.742653 37.02860 4.715950 1.014954 
9.065807 
1 1 1 3   -14 17 o 140.8226 4.216305  4183.333       227.4081 4350.967       
421.6525 4114.573       270.0497 142.3307 7.056301 139.3145 4.617092 3.016266 
8.432611 
1 1 1 3   -14 18 o 72.88216 3.407422  1128.960       101.8739 1132.504       
162.3738 1126.660       130.8265 72.87656 5.307002 72.88776 4.275258 
-0.1119232E-01 6.814844 
1 1 1 3   -14 19 o 69.05154 6.018185  1025.330       174.4688 1025.330       
174.4688 0.000000       0.000000 69.05154 6.018185 ?        ?        ? ? 
1 1 1 3   -14 20 o 19.15480 7.524055  51.49139       88.29160 0.000000       
0.000000 51.49139       88.29160 ?        ?        19.15480 7.524055 ? ? 
1 1 1 3   -14 21 o 85.27474 3.816076  1572.544       124.1308 1573.010       
229.0428 1572.350       147.7031 84.75217 6.437050 85.79731 4.100502 -1.045135 
7.632152 
1 1 1 3   -14 22 o 27.50235 5.139074  196.5766       76.47596 -80.53970      
151.3262 291.6286       88.62649 18.50936 8.496043 36.49534 5.784252 -17.98598 
10.27815 
1 1 1 3   -14 23 o 19.26595 5.903495  15.56533       82.79160 -16.86069      
154.1373 28.71395       98.15245 20.25778 9.000802 18.27413 7.641373 1.983650 
11.80699 
1 1 1 3   -14 24 o 27.03332 5.916994  188.6687       85.94209 -7.830481      
161.7475 265.9660       101.4471 20.69924 9.207250 33.36739 7.434369 -12.66815 
11.83399 
1 1 1 3   -14 25 o 61.14749 4.942647  889.3048       113.7534 811.6990       
206.3052 923.2054       136.3538 57.75207 8.508707 64.54292 5.031989 -6.790844 
9.885293 
1 1 1 3   -14 26 o 79.57219 4.660377  1479.952       142.1516 1466.906       
256.5180 1485.734       170.7709 77.60007 7.873664 81.54430 4.988172 -3.944237 
9.320754 
1 1 1 3   -14 27 o 57.33117 4.649203  735.0071       107.2126 970.1944       
187.3180 620.4261       130.7462 63.19111 7.060648 51.47123 6.050422 11.71989 
9.298406 
1 1 1 3   -14 28 o 45.82442 6.495335  554.7057       112.5986 738.0004       
207.7313 478.4471       133.9897 49.17914 10.38328 42.46970 7.806734 6.709438 
12.99067 
1 1 1 3   -13 0  o 119.1276 1.863851  2990.489       91.55149 3035.976       
119.2498 2925.192       142.8761 120.2398 2.362275 118.0154 2.883646 2.224373 
3.727702 
1 1 1 3   -13 1  f 372.9946 5.556774  29512.56       647.0118 29608.13       
709.0764 29037.22       1581.392 375.3135 4.500077 370.6757 10.16171 4.637817 
11.11355 
1 1 1 3   -13 2  o 216.2601 3.943827  9781.363       336.5772 9673.146       
409.9369 10005.22       589.5955 214.5120 4.551834 218.0082 6.441730 -3.496155 
7.887653 
1 1 1 3   -13 3  o 285.6074 6.697808  17341.55       744.5205 17523.61       
900.7089 16948.82       1322.889 288.3445 7.440358 282.8703 11.13928 5.474213 
13.39562 
1 1 1 3   -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -13 5  o 250.8520 7.304466  13154.77       735.9899 13940.46       
1252.113 12740.01       909.7443 256.1850 11.64155 245.5190 8.825825 10.66595 
14.60893 
1 1 1 3   -13 6  o 166.5340 4.877747  5835.400       338.3016 5954.171       
514.2159 5744.760       449.2079 167.9792 7.291404 165.0888 6.481133 2.890381 
9.755494 
1 1 1 3   -13 7  o 92.88908 3.521091  1821.863       134.3302 1789.005       
212.3423 1843.786       173.4481 92.16095 5.487957 93.61721 4.413009 -1.456261 
7.042181 
1 1 1 3   -13 8  f 155.8792 5.117363  4998.750       318.1822 5570.285       
555.4173 4719.559       388.1948 162.1904 8.156716 149.5681 6.182038 12.62227 
10.23473 
1 1 1 3   -13 9  o 55.15089 3.563431  630.8908       81.17210 695.6744       
129.1427 588.5817       104.3648 57.44047 5.355165 52.86130 4.702593 4.579170 
7.126863 
1 1 1 3   -13 10 o 48.63514 3.860530  500.0139       78.29570 492.4030       
117.2627 506.1364       105.1747 48.28446 5.784603 48.98581 5.114013 
-0.7013474     7.721059 
1 1 1 3   -13 11 o 137.2001 4.626620  3987.379       263.6487 3993.818       
403.4510 3982.579       348.3085 137.2046 7.003955 137.1956 6.047070 
0.8987427E-02  9.253240 
1 1 1 3   -13 12 o 217.9608 5.505344  10096.48       489.0025 10009.08       
620.0141 10240.31       795.4059 217.1028 6.802322 218.8187 8.658155 -1.715942 
11.01069 
1 1 1 3   -13 13 o 53.52676 3.779949  603.6995       84.77108 654.5852       
124.3770 559.5550       115.8460 55.62627 5.325755 51.42724 5.365482 4.199032 
7.559898 
1 1 1 3   -13 14 o 138.1535 4.441248  4022.258       245.2190 4137.805       
418.8387 3961.993       302.4813 139.4361 7.154721 136.8710 5.263907 2.565140 
8.882497 
1 1 1 3   -13 15 o 86.80321 2.841181  1598.438       100.7060 1545.358       
161.0602 1632.513       129.0425 85.56598 4.483407 88.04043 3.491176 -2.474449 
5.682363 
1 1 1 3   -13 16 o 93.83685 3.258486  1834.841       116.3511 1920.307       
218.7411 1801.119       137.4011 95.21825 5.471813 92.45544 3.539800 2.762817 
6.516972 
1 1 1 3   -13 17 o 19.95034 5.490667  43.41109       61.40525 93.58304       
114.0048 22.90724       72.88034 23.44614 8.702164 16.45455 6.697915 6.991590 
10.98133 
1 1 1 3   -13 18 o 142.7880 5.139984  4339.305       290.0252 4521.820       
507.7867 4250.938       353.3265 144.4332 8.374047 141.1428 5.962640 3.290390 
10.27997 
1 1 1 3   -13 19 o 19.10316 8.445078  -33.44037      133.4119 -33.44037      
133.4119 0.000000       0.000000 19.10316 8.445078 ?        ?        ? ? 
1 1 1 3   -13 20 o 125.4638 5.124294  3360.194       264.3668 3131.172       
336.7166 3728.254       426.8599 120.3258 6.665409 130.6018 7.784978 -10.27597 
10.24859 
1 1 1 3   -13 21 o 67.23932 3.573280  897.7697       92.95326 1159.352       
176.6889 797.6685       109.3012 73.30176 5.741374 61.17687 4.255579 12.12489 
7.146560 
1 1 1 3   -13 22 o 89.61369 3.910303  1754.479       119.5480 1714.995       
258.2728 1765.245       134.8656 88.12730 6.980545 91.10007 3.526171 -2.972771 
7.820606 
1 1 1 3   -13 23 o 43.23143 4.784757  326.3288       75.35783 697.6036       
156.1169 213.5424       86.04603 56.05108 6.634179 30.41179 6.896614 25.63929 
9.569514 
1 1 1 3   -13 24 o 55.55230 4.789684  707.9091       107.0922 642.2758       
172.6583 748.9472       136.5275 52.80859 7.787604 58.29601 5.578306 -5.487411 
9.579368 
1 1 1 3   -13 25 o 41.18270 5.777742  427.2028       91.75895 345.3702       
156.6068 469.9823       113.2310 36.54372 9.944094 45.82169 5.885934 -9.277977 
11.55548 
1 1 1 3   -13 26 o 54.26037 5.047194  660.4350       100.3667 751.2448       
201.1416 630.3285       115.8153 55.31624 8.661046 53.20449 5.184879 2.111752 
10.09439 
1 1 1 3   -13 27 o 51.41885 5.510871  672.4852       105.1567 565.2542       
179.2802 728.7261       129.8370 46.11920 9.578576 56.71849 5.452492 -10.59929 
11.02174 
1 1 1 3   -13 28 o 42.12966 6.576318  479.5285       101.8479 500.0749       
204.1579 472.7210       117.5153 39.62755 11.56115 44.63177 6.271501 -5.004215 
13.15264 
1 1 1 3   -13 29 o 65.87519 6.109770  1231.651       149.3139 935.0368       
236.9276 1427.068       192.3093 54.84999 10.66944 76.90038 5.956524 -22.05039 
12.21954 
1 1 1 3   -12 0  o 280.6237 2.892399  16840.47       326.5182 17658.37       
412.6977 15471.68       533.8898 289.9378 3.390379 271.3097 4.687134 18.62811 
5.784799 
1 1 1 3   -12 1  o 85.92026 1.882960  1541.782       67.71050 1718.515       
99.75782 1390.807       92.20210 90.46118 2.626672 81.37933 2.698657 9.081848 
3.765920 
1 1 1 3   -12 2  o 75.10933 2.066823  1180.776       61.33346 1172.883       
74.85939 1196.895       106.9752 74.73540 2.385838 75.48325 3.375620 
-0.7478485     4.133646 
1 1 1 3   -12 3  o 249.7626 4.047307  13253.34       351.6210 13358.26       
398.9927 12888.52       743.9985 252.1463 3.769063 247.3790 7.163583 4.767273 
8.094613 
1 1 1 3   -12 4  o 404.7238 6.882597  34771.89       1158.901 35990.44       
1554.809 33248.62       1738.378 412.9362 8.968403 396.5114 10.44262 16.42477 
13.76519 
1 1 1 3   -12 5  o 142.2265 5.666571  4256.340       338.3607 0.000000       
0.000000 4256.340       338.3607 ?        ?        142.2265 5.666571 ? ? 
1 1 1 3   -12 6  o 336.1067 15.55868  24181.74       2195.477 24181.74       
2195.477 0.000000       0.000000 336.1067 15.55868 ?        ?        ? ? 
1 1 1 3   -12 7  o 310.1411 8.125498  20137.46       832.5759 20924.57       
1915.241 19954.06       924.4988 312.6902 14.58916 307.5919 7.159001 5.098206 
16.25100 
1 1 1 3   -12 8  o 101.1642 2.927255  2113.899       114.8847 2251.995       
209.8107 2054.763       137.2965 103.4489 4.830841 98.87951 3.307304 4.569397 
5.854510 
1 1 1 3   -12 9  o 176.8842 5.212673  6714.102       365.9972 6943.442       
453.8734 6287.699       618.8770 181.4742 5.957182 172.2941 8.555688 9.180069 
10.42535 
1 1 1 3   -12 10 o 228.5448 5.629658  11114.01       531.6794 11350.68       
697.4160 10785.59       821.5612 231.6613 7.170667 225.4284 8.680654 6.232910 
11.25932 
1 1 1 3   -12 11 o 220.9454 6.897670  10386.28       638.7112 9856.879       
872.3585 10998.00       937.7281 214.9286 9.667673 226.9623 9.841113 -12.03377 
13.79534 
1 1 1 3   -12 12 o 189.0756 6.618669  7615.094       522.1438 7885.690       
788.8556 7404.106       696.5709 191.8926 9.791749 186.2586 8.907792 5.634033 
13.23734 
1 1 1 3   -12 13 o 191.5720 6.311359  7851.030       499.7687 7831.205       
652.0305 7879.265       778.1315 191.6024 8.105653 191.5417 9.676333 
0.6076050E-01  12.62272 
1 1 1 3   -12 14 o 151.0930 5.369424  4866.695       340.5213 4903.635       
487.7422 4831.567       475.6260 151.6312 7.661659 150.5548 7.524749 1.076401 
10.73885 
1 1 1 3   -12 15 o 135.3390 4.214900  3917.216       221.7472 3786.901       
393.5748 3977.822       268.4032 133.4238 7.026112 137.2543 4.657821 -3.830505 
8.429801 
1 1 1 3   -12 16 o 119.4272 3.549470  3035.550       169.2202 2945.667       
285.5911 3084.180       210.0677 117.9246 5.768477 120.9298 4.137586 -3.005173 
7.098939 
1 1 1 3   -12 17 o 68.07627 3.185577  963.6916       80.17506 1010.738       
157.9887 947.3734       93.04641 69.08289 5.447241 67.06965 3.304416 2.013245 
6.371154 
1 1 1 3   -12 18 o 31.50875 5.541070  257.3875       80.20934 25.02200       
155.0770 342.2530       93.71884 22.86983 9.586364 40.14766 5.560165 -17.27782 
11.08214 
1 1 1 3   -12 19 o 25.61181 9.652426  110.1735       141.3258 110.1735       
141.3258 0.000000       0.000000 25.61181 9.652426 ?        ?        ? ? 
1 1 1 3   -12 20 f 78.45331 3.596118  1288.379       112.5317 1383.855       
194.8513 1240.597       137.8437 80.43214 5.770253 76.47446 4.293303 3.957680 
7.192236 
1 1 1 3   -12 21 o 106.9419 3.450869  2445.089       154.4194 2375.884       
225.8742 2505.818       211.5891 105.4373 5.102622 108.4465 4.647282 -3.009163 
6.901737 
1 1 1 3   -12 22 o 35.87759 5.954477  291.5397       80.84444 287.7508       
160.0850 292.8369       93.66604 34.99031 10.24687 36.76488 6.068341 -1.774578 
11.90895 
1 1 1 3   -12 23 o 20.80357 6.083564  35.06902       70.72009 93.93729       
160.2159 20.82368       78.81361 25.01254 10.03021 16.59460 6.887224 8.417936 
12.16713 
1 1 1 3   -12 24 o 101.8495 4.303038  2281.231       155.0036 2295.397       
320.0110 2276.888       177.1747 100.7212 7.567719 102.9778 4.098068 -2.256546 
8.606076 
1 1 1 3   -12 25 o 50.02918 4.691914  520.1264       93.33707 708.9922       
168.3041 436.2413       112.1658 55.78431 7.186274 44.27406 6.034375 11.51024 
9.383827 
1 1 1 3   -12 26 o 26.46818 6.511453  158.0166       81.20478 192.8096       
157.9959 145.5260       94.66528 28.18789 10.27372 24.74846 8.002920 3.439436 
13.02291 
1 1 1 3   -12 27 o 60.98563 4.498706  758.6034       102.0552 1081.781       
210.0617 658.7542       116.7611 67.58928 7.402700 54.38197 5.114044 13.20731 
8.997412 
1 1 1 3   -12 28 o 53.79581 5.802514  754.7855       103.6950 646.6902       
207.5722 790.7331       119.7017 48.07853 10.57000 59.51308 4.790809 -11.43455 
11.60503 
1 1 1 3   -12 29 o 26.63811 7.237444  203.9372       110.6657 216.8708       
191.7710 197.4797       135.5046 26.93017 10.90111 26.34605 9.523035 0.5841160 
14.47489 
1 1 1 3   -12 30 o 24.72835 6.953032  185.3387       115.6480 71.02544       
199.7807 242.9500       141.8270 21.72684 9.895362 27.72986 9.770386 -6.003027 
13.90606 
1 1 1 3   -11 0  o 110.7273 1.775467  2569.872       82.21856 2898.731       
119.0183 2269.680       113.7123 117.4923 2.412822 103.9623 2.605269 13.52995 
3.550935 
1 1 1 3   -11 1  o 470.1898 4.939147  46548.07       974.7298 47573.39       
1374.142 45509.71       1382.851 475.4210 6.884532 464.9586 7.084060 10.46237 
9.878294 
1 1 1 3   -11 2  o 446.3880 7.294015  42264.96       1302.157 42688.20       
1617.177 41484.59       2195.890 450.0029 8.559793 442.7731 11.81273 7.229767 
14.58803 
1 1 1 3   -11 3  o 122.2535 1.907959  3084.580       95.72887 2898.800       
121.5300 3388.297       155.3882 117.4915 2.463760 127.0155 2.913951 -9.524048 
3.815917 
1 1 1 3   -11 4  o 273.0814 4.849508  15697.10       555.8328 15178.49       
780.8644 16229.76       791.3733 268.5020 6.927064 277.6609 6.788719 -9.158875 
9.699017 
1 1 1 3   -11 5  o 545.1386 11.25503  63379.73       2560.500 63161.60       
3436.539 63651.93       3838.981 544.5610 15.03127 545.7162 16.75599 -1.155273 
22.51005 
1 1 1 3   -11 6  o 258.0297 7.712983  13921.86       768.3609 14526.34       
1407.578 13665.28       917.0441 261.5675 12.81769 254.4918 8.582967 7.075668 
15.42597 
1 1 1 3   -11 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -11 8  o 251.0206 7.229519  13334.93       700.3497 13378.88       
1271.529 13315.79       839.1024 250.8716 12.07246 251.1696 7.957358 
-0.2979736     14.45904 
1 1 1 3   -11 9  o 299.1218 9.175926  19025.79       1147.516 18344.10       
1542.849 19869.76       1716.701 293.3165 12.52876 304.9270 13.40973 -11.61047 
18.35185 
1 1 1 3   -11 10 o 144.8382 4.375307  4428.945       254.4953 4442.232       
317.0072 4404.854       426.8333 145.2398 5.198818 144.4366 7.038858 0.8032379 
8.750613 
1 1 1 3   -11 11 o 108.3645 3.666521  2492.872       165.3869 2661.493       
224.8261 2294.017       244.1522 112.4199 4.763485 104.3091 5.575189 8.110771 
7.333043 
1 1 1 3   -11 12 f 126.0039 4.012836  3342.118       202.9265 3320.209       
251.9827 3382.544       342.2947 125.5184 4.781721 126.4893 6.445660 
-0.9709015     8.025671 
1 1 1 3   -11 13 o 191.0410 6.754332  7800.423       541.1694 7695.063       
746.3620 7917.220       785.8197 189.7488 9.368965 192.3331 9.731726 -2.584381 
13.50866 
1 1 1 3   -11 14 o 232.8463 6.205839  11647.09       594.2714 11326.59       
932.1544 11866.55       771.3503 229.6763 9.667021 236.0163 7.784501 -6.339935 
12.41168 
1 1 1 3   -11 15 o 258.2171 7.292089  14324.08       738.0081 14619.72       
1305.234 14185.15       894.7703 258.8714 12.00952 257.5628 8.274647 1.308594 
14.58418 
1 1 1 3   -11 16 o 25.92184 5.469212  143.0201       60.66821 143.7358       
110.3713 142.7102       72.62354 26.38498 8.644603 25.45871 6.702235 0.9262753 
10.93842 
1 1 1 3   -11 17 f 173.8669 4.122297  6470.893       281.3925 6213.525       
489.4445 6597.962       343.9131 170.9633 6.819016 176.7706 4.634041 -5.807312 
8.244594 
1 1 1 3   -11 18 o 120.5540 4.282273  3061.637       171.6744 3122.720       
389.8462 3046.943       191.2127 120.8911 7.681040 120.2168 3.788546 0.6742783 
8.564547 
1 1 1 3   -11 19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -11 20 o 28.85838 5.925880  137.4497       75.89613 319.6646       
140.9103 62.98628       90.07874 37.56492 9.032381 20.15184 7.673350 17.41308 
11.85176 
1 1 1 3   -11 21 o 81.88960 3.458019  1405.826       116.0583 1525.180       
188.6441 1333.137       147.2162 84.54121 5.314910 79.23800 4.425305 5.303207 
6.916039 
1 1 1 3   -11 22 o 61.11573 4.147519  789.8983       94.96064 833.9556       
183.0491 773.6755       111.0764 61.93761 7.039379 60.29386 4.388031 1.643749 
8.295038 
1 1 1 3   -11 23 o 22.02180 6.164010  62.35491       77.13987 103.5348       
146.6430 46.60017       90.70362 25.02781 9.725232 19.01578 7.576273 6.012032 
12.32802 
1 1 1 3   -11 24 o 23.73558 6.160720  113.5574       76.38516 59.44660       
152.7108 131.6131       88.21345 23.21659 9.608210 24.25458 7.713638 -1.037985 
12.32144 
1 1 1 3   -11 25 o 22.38382 6.059511  21.03403       73.96304 222.0053       
154.7139 -38.50399      84.20917 30.46488 10.23485 14.30275 6.489879 16.16213 
12.11902 
1 1 1 3   -11 26 o 116.3710 4.273319  2940.567       193.8059 3245.136       
351.6721 2807.719       232.2586 119.3869 7.016203 113.3550 4.880361 6.031898 
8.546638 
1 1 1 3   -11 27 o 25.43833 6.487645  136.6127       76.42485 184.0951       
167.4340 124.1164       85.89472 27.79951 10.49768 23.07715 7.626058 4.722364 
12.97529 
1 1 1 3   -11 28 o 44.77972 5.651081  482.3338       87.10450 506.2132       
180.1539 475.0482       99.50887 43.44667 10.06576 46.11277 5.139982 -2.666103 
11.30216 
1 1 1 3   -11 29 o 30.37127 7.103018  217.5708       94.38059 385.9708       
190.0436 162.4396       108.7378 35.59569 11.32203 25.14685 8.580394 10.44884 
14.20604 
1 1 1 3   -11 30 o 46.58765 6.338248  518.5829       108.5423 838.5919       
215.8935 410.3337       125.5657 53.72414 9.945736 39.45116 7.859765 14.27298 
12.67650 
1 1 1 3   -10 0  o 65.70837 1.913255  784.7177       48.05986 633.6558       
55.64085 1228.543       95.37238 54.93315 2.412572 76.48358 2.970130 -21.55043 
3.826510 
1 1 1 3   -10 1  o 83.23021 1.809618  1475.402       60.76771 1534.775       
76.90358 1376.706       99.15201 85.49563 2.142514 80.96479 2.916933 4.530838 
3.619235 
1 1 1 3   -10 2  o 180.6262 3.192441  6851.871       237.8747 6832.140       
308.7122 6880.705       373.1995 180.3249 4.077735 180.9274 4.913124 
-0.6024933     6.384881 
1 1 1 3   -10 3  o 255.6151 4.792809  13751.09       514.3436 13762.15       
728.7095 13740.11       726.0808 255.7166 6.787605 255.5136 6.768494 0.2030334 
9.585619 
1 1 1 3   -10 4  o 41.61086 2.960769  365.5674       50.69616 463.1848       
73.38277 276.4402       70.11894 46.95475 3.722508 36.26696 4.605165 10.68779 
5.921538 
1 1 1 3   -10 5  o 390.6514 8.586796  32296.56       1405.767 32668.48       
2055.792 31969.92       1926.602 392.6692 12.47020 388.6337 11.80790 4.035492 
17.17359 
1 1 1 3   -10 6  o 251.5584 4.531755  13475.36       406.4029 13619.49       
466.2758 13019.76       829.0056 254.5639 4.362818 248.5530 7.944372 6.010941 
9.063511 
1 1 1 3   -10 7  o 311.5263 8.234001  20197.15       985.2224 21453.80       
1828.710 19683.23       1169.453 317.6911 13.71074 305.3616 9.121990 12.32950 
16.46800 
1 1 1 3   -10 8  o 311.4997 9.423542  20732.17       1203.133 20176.28       
1906.889 21099.82       1550.766 307.5541 14.76811 315.4453 11.70963 -7.891205 
18.84708 
1 1 1 3   -10 9  o 156.6889 7.662746  5179.107       504.0823 5179.107       
504.0823 0.000000       0.000000 156.6889 7.662746 ?        ?        ? ? 
1 1 1 3   -10 10 o 90.10265 3.931499  1708.873       148.6777 1768.533       
211.9865 1651.115       208.5790 91.65244 5.509159 88.55285 5.610340 3.099594 
7.862999 
1 1 1 3   -10 11 o 125.8932 4.293392  3348.288       218.0739 3367.445       
273.4156 3314.793       361.5292 126.4636 5.149662 125.3227 6.871233 1.140900 
8.586784 
1 1 1 3   -10 12 o 56.81802 3.597330  669.8850       85.09400 568.5673       
113.1826 801.6140       129.0559 51.94652 5.189724 61.68952 4.982962 -9.742996 
7.194661 
1 1 1 3   -10 13 o 40.69378 4.747993  379.4904       74.35251 204.3250       
106.5390 545.8117       103.8146 30.49821 8.158632 50.88935 4.859063 -20.39115 
9.495987 
1 1 1 3   -10 14 o 181.1454 5.365911  6924.744       363.6687 7069.961       
698.0930 6870.657       426.0463 181.9627 9.138019 180.3281 5.627488 1.634583 
10.73182 
1 1 1 3   -10 15 f 186.7115 3.898649  7376.857       295.8263 7354.951       
482.7494 7390.029       374.3489 186.3148 6.171568 187.1083 4.765458 
-0.7935333     7.797297 
1 1 1 3   -10 16 o 90.07785 3.252981  1722.650       115.9537 1684.154       
199.6530 1742.244       142.4382 89.22575 5.329747 90.92994 3.731132 -1.704185 
6.505962 
1 1 1 3   -10 17 o 70.28056 2.886235  1036.491       83.74649 1068.779       
131.8317 1014.646       108.4372 71.16722 4.412259 69.39390 3.722014 1.773323 
5.772470 
1 1 1 3   -10 18 o 33.21884 5.717996  270.5443       83.63183 100.2675       
146.1708 353.4135       101.9716 25.60417 9.767350 40.83351 5.948175 -15.22934 
11.43599 
1 1 1 3   -10 19 o 29.53855 10.11304  175.1618       151.0531 0.000000       
0.000000 175.1618       151.0531 ?        ?        29.53855 10.11304 ? ? 
1 1 1 3   -10 20 o 117.0826 3.935953  2922.616       190.5869 2852.572       
294.1195 2973.315       250.2297 115.7406 6.052842 118.4247 5.032893 -2.684151 
7.871906 
1 1 1 3   -10 21 o 25.24685 6.048850  131.4700       80.67749 27.91085       
139.7313 183.2565       98.81154 21.84262 9.124381 28.65107 7.943551 -6.808451 
12.09770 
1 1 1 3   -10 22 o 55.16624 4.225308  642.3354       88.65225 677.5992       
166.7825 628.4485       104.6624 55.96358 7.098493 54.36890 4.585229 1.594673 
8.450617 
1 1 1 3   -10 23 o 56.83308 4.158105  672.9703       91.35876 754.4398       
169.3710 639.5398       108.4957 58.92476 6.846400 54.74140 4.720823 4.183353 
8.316211 
1 1 1 3   -10 24 o 75.11143 3.627181  1195.122       102.6516 1257.488       
195.8950 1171.515       120.5241 76.04544 6.135800 74.17744 3.870108 1.868004 
7.254363 
1 1 1 3   -10 25 o 76.28050 4.087898  1273.537       109.0154 1263.695       
228.3472 1276.443       124.0671 75.25912 7.226992 77.30190 3.822854 -2.042778 
8.175796 
1 1 1 3   -10 26 o 19.48573 5.949305  14.84640       83.20289 20.05875       
149.5108 12.50797       100.1423 21.24735 9.174382 17.72412 7.576781 3.523228 
11.89861 
1 1 1 3   -10 27 o 20.12899 5.925492  48.99380       80.49082 -0.2800161     
145.1425 70.87775       96.72738 20.05219 8.843779 20.20579 7.888815 
-0.1535950     11.85098 
1 1 1 3   -10 28 o 33.06020 6.675676  272.3405       84.95394 291.7296       
192.5153 267.6517       94.67019 32.60660 11.39342 33.51379 6.960499 
-0.9071884     13.35135 
1 1 1 3   -10 29 o 51.39024 6.310162  650.4075       110.3126 706.7221       
230.9593 633.7636       125.5604 49.94910 11.27951 52.83137 5.660855 -2.882271 
12.62032 
1 1 1 3   -10 30 o 26.39900 7.069443  193.3697       110.7239 73.75163       
220.5536 233.6756       128.0265 23.74577 10.65145 29.05222 9.298100 -5.306448 
14.13889 
1 1 1 3   -10 31 o 30.23825 7.560466  287.7852       112.2915 367.7952       
209.4147 255.4960       133.0340 31.47086 11.77154 29.00564 9.490701 2.465219 
15.12093 
1 1 1 3   -9  0  o 201.0549 3.693855  8377.497       283.6337 8213.867       
335.6147 8786.444       530.5717 197.7258 4.042953 204.3841 6.183267 -6.658325 
7.387710 
1 1 1 3   -9  1  o 191.3013 3.082202  7675.146       247.1867 7951.775       
361.5654 7432.393       338.7030 194.5285 4.427155 188.0742 4.289542 6.454285 
6.164404 
1 1 1 3   -9  2  o 386.8381 7.021327  31655.28       1075.591 31813.76       
1319.986 31342.12       1855.520 388.6222 8.090267 385.0541 11.47797 3.568024 
14.04265 
1 1 1 3   -9  3  o 91.88080 2.283218  1772.072       87.41759 1781.819       
132.1065 1764.479       116.5955 92.10234 3.416447 91.65925 3.029889 0.4430923 
4.566436 
1 1 1 3   -9  4  o 259.5130 4.952074  14144.32       536.0793 13910.13       
715.8865 14443.29       808.8602 257.1088 6.632057 261.9172 7.355810 -4.808380 
9.904147 
1 1 1 3   -9  5  o 495.8488 7.789687  51977.62       1620.207 54746.67       
2301.099 49255.16       2281.661 509.0240 10.76758 482.6735 11.25949 26.35056 
15.57937 
1 1 1 3   -9  6  o 186.1869 3.912592  7314.267       298.1305 7401.416       
382.4395 7179.269       475.9878 187.6436 4.854561 184.7302 6.137324 2.913467 
7.825184 
1 1 1 3   -9  7  o 164.5894 3.128671  5720.969       198.1730 5624.324       
360.0999 5762.955       237.3474 163.5474 5.244457 165.6314 3.413210 -2.083984 
6.257342 
1 1 1 3   -9  8  o 107.7510 3.142583  2436.598       142.0343 2301.830       
196.8620 2582.920       205.1266 104.6470 4.480806 110.8549 4.407458 -6.207909 
6.285166 
1 1 1 3   -9  9  o 548.5681 18.49407  66345.32       4232.774 65609.02       
6321.230 66943.82       5699.087 544.2794 27.66310 552.8568 24.55352 -8.577332 
36.98814 
1 1 1 3   -9  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -9  11 o 238.5779 8.389642  12101.20       839.4178 12263.01       
1219.231 11955.37       1157.412 240.0303 12.09876 237.1254 11.62602 2.904922 
16.77928 
1 1 1 3   -9  12 o 92.17599 3.825665  1750.157       145.0296 1608.104       
184.3854 1980.625       234.8589 87.39988 5.025009 96.95210 5.769934 -9.552216 
7.651330 
1 1 1 3   -9  13 o 48.91175 4.388401  508.7330       89.39043 566.7037       
124.2652 446.5653       128.6849 51.84146 5.709438 45.98204 6.665926 5.859421 
8.776801 
1 1 1 3   -9  14 o 49.35102 3.432355  525.4938       65.44006 481.4510       
115.8266 546.1442       79.31142 47.75488 5.777124 50.94717 3.707975 -3.192287 
6.864710 
1 1 1 3   -9  15 o 61.88760 3.148756  820.8490       71.25752 779.5782       
139.3204 835.4702       82.92469 60.75233 5.462265 63.02287 3.134056 -2.270535 
6.297512 
1 1 1 3   -9  16 o 111.3199 3.348250  2625.495       147.6283 2586.217       
254.2359 2645.477       181.3314 110.5855 5.475956 112.0543 3.854478 -1.468796 
6.696499 
1 1 1 3   -9  17 o 113.8567 3.042926  2734.924       145.4511 2707.605       
204.9875 2762.626       206.4178 113.2831 4.310058 114.4302 4.296627 -1.147026 
6.085853 
1 1 1 3   -9  18 o 176.1026 5.783086  6567.353       397.2439 6791.237       
712.0339 6466.177       478.6602 177.6975 9.544218 174.5077 6.533317 3.189819 
11.56617 
1 1 1 3   -9  19 o 65.55481 6.745152  913.5128       185.6416 0.000000       
0.000000 913.5128       185.6416 ?        ?        65.55481 6.745152 ? ? 
1 1 1 3   -9  20 o 70.62758 3.876411  1093.585       109.2363 925.6324       
176.9253 1197.049       138.8648 65.97339 6.387667 75.28177 4.393629 -9.308380 
7.752822 
1 1 1 3   -9  21 o 79.41372 3.821442  1335.688       111.2711 1348.362       
219.7752 1331.320       129.0309 79.43561 6.589988 79.39183 3.871140 
0.4377747E-01  7.642883 
1 1 1 3   -9  22 o 23.33333 6.191546  95.21676       77.68897 42.06282       
152.5592 113.8269       90.27035 23.20381 9.603209 23.46286 7.817888 
-0.2590542     12.38309 
1 1 1 3   -9  23 o 137.2119 5.219632  4113.095       277.3226 4021.081       
495.4151 4155.085       334.6710 135.1735 8.729690 139.2503 5.724574 -4.076782 
10.43926 
1 1 1 3   -9  24 o 24.22507 6.048740  121.7979       74.48753 39.09216       
151.9288 147.9690       85.46407 22.76030 9.511436 25.68983 7.475400 -2.929535 
12.09748 
1 1 1 3   -9  25 o 46.85969 4.971609  483.0162       80.46742 503.7117       
165.5784 476.6171       92.07104 46.58403 8.787532 47.13535 4.652618 
-0.5513191     9.943217 
1 1 1 3   -9  26 o 63.16811 3.971661  858.5001       92.45534 898.5922       
182.0000 844.5554       107.3366 63.56791 6.819529 62.76830 4.073131 0.7996101 
7.943323 
1 1 1 3   -9  27 o 55.63346 4.182786  651.4080       89.71801 774.8425       
168.7549 602.7728       105.9287 58.62428 6.856459 52.64264 4.792885 5.981644 
8.365571 
1 1 1 3   -9  28 o 50.39704 4.727745  576.8568       89.50211 580.4954       
168.1651 575.4189       105.7193 49.60201 8.075282 51.19207 4.918954 -1.590057 
9.455490 
1 1 1 3   -9  29 o 62.88125 4.258937  891.1584       105.0790 917.4283       
184.7931 878.6052       127.7411 62.70667 7.019289 63.05583 4.825324 
-0.3491631     8.517874 
1 1 1 3   -9  30 o 23.25402 6.947183  90.30468       108.2751 118.3246       
200.2845 78.73419       128.7034 25.08681 10.71941 21.42123 8.840115 3.665583 
13.89437 
1 1 1 3   -9  31 o 24.26108 7.122392  138.4800       112.4807 159.2113       
206.3591 129.7172       134.1629 25.35688 10.85925 23.16528 9.219034 2.191597 
14.24478 
1 1 1 3   -9  32 o 36.41449 6.795333  464.2820       124.4451 229.3399       
221.1132 573.2029       150.5532 26.11768 11.21475 46.71130 7.676958 -20.59362 
13.59067 
1 1 1 3   -8  0  o 255.9433 2.676232  13889.95       279.5177 14342.54       
358.8684 13191.89       445.6844 261.3174 3.271055 250.5691 4.236635 10.74838 
5.352465 
1 1 1 3   -8  1  o 110.2899 2.187998  2397.461       83.59917 2286.602       
93.53497 2837.685       186.3903 104.3565 2.134891 116.2233 3.819893 -11.86681 
4.375996 
1 1 1 3   -8  2  o 474.8998 4.035772  46782.00       739.6160 45828.16       
881.7219 49046.66       1358.611 466.9953 4.497179 482.8044 6.702626 -15.80914 
8.071544 
1 1 1 3   -8  3  o 339.1835 6.459579  24368.74       898.1333 24796.35       
1157.376 23721.45       1423.975 343.1093 8.034578 335.2578 10.11683 7.851410 
12.91916 
1 1 1 3   -8  4  o 158.2664 3.043127  5358.618       190.5749 5564.822       
235.7762 4970.010       323.6729 162.7659 3.450306 153.7670 5.013768 8.998840 
6.086253 
1 1 1 3   -8  5  o 238.2644 4.435172  11971.71       440.4210 11687.40       
659.8062 12200.18       591.4794 235.6737 6.668473 240.8551 5.849314 -5.181396 
8.870344 
1 1 1 3   -8  6  o 262.9870 5.420388  14603.70       582.3061 14399.65       
935.3893 14732.81       744.0685 261.3818 8.523894 264.5922 6.698183 -3.210358 
10.84078 
1 1 1 3   -8  7  o 91.75214 2.979354  1753.562       114.2468 1602.056       
153.0535 1944.200       171.6855 87.31649 4.175112 96.18777 4.251428 -8.871284 
5.958708 
1 1 1 3   -8  8  o 324.9551 5.172469  22541.77       628.7538 22920.83       
740.7892 21565.13       1189.076 330.1527 5.344424 319.7576 8.857476 10.39514 
10.34494 
1 1 1 3   -8  9  o 309.4442 7.078622  20223.88       918.2967 20358.68       
1336.995 20103.51       1263.458 310.3697 10.26057 308.5187 9.754395 1.850922 
14.15724 
1 1 1 3   -8  10 o 88.39920 3.255879  1660.027       117.1534 1569.850       
187.7910 1717.485       149.8999 86.39563 5.177310 90.40277 3.949488 -4.007141 
6.511758 
1 1 1 3   -8  11 o 135.1225 4.465530  3858.427       251.3564 3961.803       
337.7759 3730.142       376.2758 137.1878 5.864544 133.0572 6.735797 4.130585 
8.931061 
1 1 1 3   -8  12 o 79.03271 5.577391  1315.062       185.0619 1315.062       
185.0619 0.000000       0.000000 79.03271 5.577391 ?        ?        ? ? 
1 1 1 3   -8  13 o 318.4647 9.115376  21945.37       1128.344 22387.98       
1368.217 21004.39       1994.963 324.7115 10.03641 312.2178 15.21942 12.49374 
18.23075 
1 1 1 3   -8  14 o 133.0279 3.740674  3778.198       205.1376 3431.032       
312.9005 4039.895       271.6664 127.5409 5.843564 138.5149 4.671546 -10.97394 
7.481349 
1 1 1 3   -8  15 o 212.4192 5.201701  9555.191       452.8597 9587.435       
723.8401 9534.453       580.5031 212.4994 8.113461 212.3390 6.511723 0.1603699 
10.40340 
1 1 1 3   -8  16 o 148.8452 3.797510  4694.408       234.4856 4576.855       
357.9389 4782.783       310.3539 147.1330 5.794553 150.5575 4.909936 -3.424561 
7.595019 
1 1 1 3   -8  17 o 86.42937 3.184962  1597.019       113.8819 1417.147       
170.0112 1743.416       153.3769 81.91125 4.943734 90.94750 4.016892 -9.036255 
6.369924 
1 1 1 3   -8  18 o 150.0980 5.054443  4759.968       298.6868 4899.707       
525.7539 4693.375       362.9457 151.3588 8.273625 148.8371 5.808332 2.521683 
10.10889 
1 1 1 3   -8  19 o 122.0482 6.057458  3157.781       310.3849 0.000000       
0.000000 3157.781       310.3849 ?        ?        122.0482 6.057458 ? ? 
1 1 1 3   -8  20 o 175.0352 4.770921  6530.742       349.5256 6789.991       
482.2868 6243.941       507.2664 178.8073 6.424528 171.2631 7.054940 7.544174 
9.541842 
1 1 1 3   -8  21 o 133.1132 4.077950  3802.298       220.0748 3596.976       
355.9819 3929.317       279.9912 129.9648 6.524138 136.2616 4.894315 -6.296799 
8.155900 
1 1 1 3   -8  22 o 41.88351 5.463863  353.8010       85.62437 486.2538       
162.6095 302.9865       100.7185 46.69039 8.619300 37.07663 6.717356 9.613762 
10.92773 
1 1 1 3   -8  23 o 106.7927 4.091467  2249.971       148.1761 2770.632       
342.0286 2129.673       164.4054 113.2821 7.191548 100.3033 3.904109 12.97877 
8.182935 
1 1 1 3   -8  24 o 60.97929 3.984319  678.8219       90.34280 1075.621       
189.2552 561.7176       102.8132 70.62095 6.383153 51.33764 4.770173 19.28331 
7.968638 
1 1 1 3   -8  25 o 37.95025 5.558464  349.5374       78.49899 263.3593       
146.9721 383.9339       92.85249 33.62363 9.809143 42.27687 5.231326 -8.653244 
11.11693 
1 1 1 3   -8  26 o 42.16058 5.169461  365.4124       80.33361 486.1264       
158.9358 323.9904       93.10181 45.72311 8.595617 38.59804 5.745317 7.125076 
10.33892 
1 1 1 3   -8  27 o 109.3324 3.844160  2619.943       149.7856 2589.191       
305.1005 2629.708       171.9314 107.7664 6.743427 110.8984 3.692759 -3.132034 
7.688321 
1 1 1 3   -8  28 o 89.05278 3.787344  1720.868       120.0792 1789.438       
247.8319 1699.832       137.2678 89.11737 6.623932 88.98818 3.674155 0.1291885 
7.574688 
1 1 1 3   -8  29 o 50.52958 4.655354  546.1392       89.26395 673.8273       
173.3002 500.0285       104.1416 53.54049 7.709704 47.51866 5.220127 6.021835 
9.310707 
1 1 1 3   -8  30 o 79.97977 4.016418  1441.598       122.4464 1456.184       
225.2707 1435.481       145.8780 79.03494 6.789014 80.92458 4.293686 -1.889641 
8.032836 
1 1 1 3   -8  31 o 24.90060 7.234962  133.0493       112.9333 176.6223       
208.6045 114.9838       134.3195 26.78720 11.16654 23.01400 9.202551 3.773207 
14.46992 
1 1 1 3   -8  32 o 25.54967 7.356501  118.7584       117.3805 387.7330       
220.1642 11.93971       138.7442 32.51002 12.08778 18.58931 8.387969 13.92071 
14.71300 
1 1 1 3   -7  0  o 268.4738 4.638933  15328.55       509.8575 15972.67       
660.0680 14375.73       802.8017 275.6144 5.704372 261.3331 7.317031 14.28125 
9.277866 
1 1 1 3   -7  1  o 179.8123 3.406205  6564.733       213.9258 6389.183       
241.1143 7214.103       463.7332 174.4123 3.292813 185.2123 5.963751 -10.79999 
6.812411 
1 1 1 3   -7  2  o 339.0926 4.766077  24349.99       586.2834 23882.37       
1170.259 24506.69       677.4277 336.7032 8.278577 341.4819 4.725158 -4.778687 
9.532154 
1 1 1 3   -7  3  o 132.9720 2.668235  3765.886       136.0477 3844.041       
163.0764 3586.966       246.7424 135.2934 2.871016 130.6506 4.498352 4.642853 
5.336469 
1 1 1 3   -7  4  o 99.96009 2.731665  2098.400       114.3024 2108.666       
168.4159 2089.634       155.6355 100.1838 4.004117 99.73640 3.716858 0.4473724 
5.463331 
1 1 1 3   -7  5  o 267.0691 4.832860  15000.37       459.9292 14992.17       
526.0668 15026.96       947.4803 267.0884 4.691449 267.0497 8.450826 
0.3863525E-01  9.665720 
1 1 1 3   -7  6  o 90.76624 2.728032  1730.136       103.9208 1754.500       
149.3210 1707.250       144.7194 91.38506 3.891945 90.14742 3.823794 1.237633 
5.456064 
1 1 1 3   -7  7  o 334.1052 7.657581  23583.21       1074.087 23659.15       
1526.160 23508.69       1511.917 334.6314 10.86312 333.5790 10.79569 1.052399 
15.31516 
1 1 1 3   -7  8  o 94.68999 2.521561  1889.506       98.50164 1850.651       
153.5174 1916.696       128.4224 93.85328 3.896091 95.52671 3.202117 -1.673431 
5.043122 
1 1 1 3   -7  9  o 404.1718 6.959727  34496.27       831.1707 34498.51       
899.0727 34483.07       2180.168 405.0515 5.286955 403.2920 12.87631 1.759460 
13.91945 
1 1 1 3   -7  10 o 192.3081 3.809826  7562.907       235.4562 7447.883       
258.8192 8115.122       567.0975 188.2966 3.273973 196.3196 6.880422 -8.023026 
7.619652 
1 1 1 3   -7  11 o 52.14570 3.213455  570.9022       70.30548 596.0781       
101.5327 547.7117       97.44700 53.24876 4.541692 51.04264 4.547329 2.206120 
6.426909 
1 1 1 3   -7  12 o 586.2247 16.17719  75220.02       3912.504 75193.10       
5089.877 75258.91       6116.827 588.3691 20.60528 584.0804 24.94449 4.288635 
32.35437 
1 1 1 3   -7  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -7  14 o 227.3202 5.810387  10545.55       517.2825 12004.68       
940.8130 9913.310       619.2924 237.9122 9.419064 216.7282 6.806148 21.18396 
11.62077 
1 1 1 3   -7  15 o 18.99369 5.081121  54.38736       56.51384 -7.338271      
100.1842 83.19618       68.44299 17.56214 7.545228 20.42525 6.807402 -2.863111 
10.16224 
1 1 1 3   -7  16 o 256.9432 7.014071  13992.70       699.8745 14400.10       
1263.156 13812.24       840.7190 258.7850 11.62623 255.1013 7.849811 3.683670 
14.02814 
1 1 1 3   -7  17 o 23.55592 4.595056  118.1933       61.22250 -78.34682      
104.8605 219.8375       75.40981 15.37210 7.062865 31.73975 5.879972 -16.36765 
9.190111 
1 1 1 3   -7  18 o 143.7154 5.729990  4389.719       339.5881 4304.313       
438.9075 4517.099       536.0193 142.1959 7.352027 145.2350 8.790838 -3.039139 
11.45998 
1 1 1 3   -7  19 o 135.5916 4.324838  3879.190       246.1963 0.000000       
0.000000 3879.190       246.1963 ?        ?        135.5916 4.324838 ? ? 
1 1 1 3   -7  20 o 180.6151 5.056959  6951.640       369.5757 6907.575       
608.6309 6977.378       465.1499 179.8278 8.061543 181.4024 6.107605 -1.574600 
10.11392 
1 1 1 3   -7  21 o 153.4656 4.611030  4927.299       260.1325 5169.091       
516.6099 4845.169       301.0885 155.5024 7.913102 151.4288 4.735947 4.073578 
9.222059 
1 1 1 3   -7  22 o 92.07746 3.799408  1727.846       131.2175 1957.540       
257.0453 1646.894       152.5984 95.85404 6.387343 88.30088 4.116291 7.553162 
7.598816 
1 1 1 3   -7  23 o 171.8989 4.584847  6091.683       305.5239 6943.594       
565.9169 5741.240       362.9646 179.4927 7.509777 164.3051 5.261800 15.18758 
9.169694 
1 1 1 3   -7  24 o 146.7083 5.191113  4589.192       319.7380 0.000000       
0.000000 4589.192       319.7380 ?        ?        146.7083 5.191113 ? ? 
1 1 1 3   -7  25 o 65.94876 4.270976  922.9257       95.04908 961.1199       
212.0669 913.3242       106.3270 66.28867 7.619994 65.60885 3.860133 0.6798172 
8.541951 
1 1 1 3   -7  26 o 142.8398 4.661295  4586.243       226.9983 4215.016       
481.8508 4692.130       257.3438 137.3389 8.356804 148.3408 4.132131 -11.00195 
9.322590 
1 1 1 3   -7  27 o 93.37042 3.497383  1911.117       122.9487 1815.854       
228.6521 1949.864       145.8242 91.10479 5.977989 95.63606 3.631859 -4.531273 
6.994766 
1 1 1 3   -7  28 o 76.59560 3.800060  1316.059       106.5695 1212.779       
204.6667 1354.477       124.8266 73.67673 6.616644 79.51445 3.739228 -5.837715 
7.600119 
1 1 1 3   -7  29 o 41.02845 5.195437  345.8745       81.84867 532.9194       
155.1665 273.7666       96.34223 47.89643 7.716422 34.16047 6.958957 13.73597 
10.39087 
1 1 1 3   -7  30 o 65.55390 4.233098  917.3788       100.8487 1086.171       
207.6157 865.2534       115.3744 68.18238 7.252856 62.92542 4.367214 5.256958 
8.466196 
1 1 1 3   -7  31 o 18.38701 5.852798  -3.827568      84.20590 -5.497684      
167.0527 -3.258669      97.49845 20.40505 9.205812 16.36896 7.230076 4.036091 
11.70560 
1 1 1 3   -7  32 o 62.84772 6.673489  1156.869       144.6165 740.1652       
246.9958 1374.236       178.3910 48.38563 12.16281 77.30981 5.496161 -28.92419 
13.34698 
1 1 1 3   -7  33 o 20.63163 6.670746  43.37235       120.3461 18.83178       
234.0463 52.19304       140.3172 21.58041 10.12638 19.68286 8.686307 1.897549 
13.34149 
1 1 1 3   -6  0  o 319.9385 5.640101  21753.77       732.0689 22359.69       
930.3454 20768.60       1186.290 325.9839 6.797812 313.8931 9.001818 12.09079 
11.28020 
1 1 1 3   -6  1  o 58.08042 2.168659  683.8365       51.65680 512.8458       
66.93814 935.6041       81.22454 49.41438 3.226573 66.74646 2.898545 -17.33208 
4.337319 
1 1 1 3   -6  2  o 59.29390 2.171248  734.8606       53.85176 830.0073       
78.95725 652.1050       73.63663 62.86615 2.991550 55.72166 3.147682 7.144493 
4.342496 
1 1 1 3   -6  3  o 91.79101 2.359654  1741.872       85.32246 1849.426       
151.3127 1691.731       103.3140 93.82731 3.841202 89.75471 2.741720 4.072601 
4.719307 
1 1 1 3   -6  4  o 231.6104 4.858534  10961.51       431.5957 12089.44       
810.4882 10515.06       509.9062 239.5802 8.057806 223.6406 5.430761 15.93962 
9.717068 
1 1 1 3   -6  5  o 48.54330 2.520863  494.8131       51.31880 463.4548       
71.80315 527.5585       73.37382 46.97095 3.641122 50.11565 3.487296 -3.144699 
5.041726 
1 1 1 3   -6  6  o 198.9702 4.347867  8333.978       362.8408 8528.017       
505.8760 8128.387       520.7144 201.3680 5.983768 196.5725 6.309542 4.795425 
8.695734 
1 1 1 3   -6  7  f 311.6769 7.078396  20369.52       918.5209 21487.17       
1406.914 19539.27       1212.606 318.9959 10.50518 304.3579 9.489780 14.63803 
14.15679 
1 1 1 3   -6  8  o 154.6069 2.738427  5035.872       175.9106 5124.057       
233.7402 4920.681       267.1428 156.1820 3.564705 153.0319 4.157982 3.150131 
5.476855 
1 1 1 3   -6  9  o 129.0447 2.697687  3514.722       145.3381 3310.655       
213.2766 3691.646       198.5870 125.5248 4.047013 132.5647 3.568158 -7.039871 
5.395374 
1 1 1 3   -6  10 o 412.4899 8.563689  36086.29       1458.043 35734.18       
2274.163 36332.04       1899.907 410.4399 13.19754 414.5398 10.91659 -4.099884 
17.12738 
1 1 1 3   -6  11 o 415.7523 9.045866  36639.21       1578.028 35870.65       
2187.263 37473.52       2278.893 411.2509 12.66821 420.2536 12.91616 -9.002747 
18.09173 
1 1 1 3   -6  12 o 280.2732 5.129350  16618.31       601.1168 17730.41       
833.6115 15413.61       867.6235 290.1388 6.843511 270.4076 7.642467 19.73123 
10.25870 
1 1 1 3   -6  13 o 176.0977 4.136974  6394.537       211.0462 6714.858       
574.3038 6344.526       226.9240 178.4153 7.667092 173.7801 3.110294 4.635208 
8.273949 
1 1 1 3   -6  14 f 212.9991 7.008773  9570.075       626.7563 0.000000       
0.000000 9570.075       626.7563 ?        ?        212.9991 7.008773 ? ? 
1 1 1 3   -6  15 o 159.3931 5.326032  5351.574       356.4118 5351.574       
356.4118 0.000000       0.000000 159.3931 5.326032 ?        ?        ? ? 
1 1 1 3   -6  16 o 165.5521 4.281874  5762.777       252.5239 5827.780       
521.3461 5742.851       288.6437 165.9189 7.484301 165.1853 4.162093 0.7336578 
8.563748 
1 1 1 3   -6  17 o 175.6123 4.262125  6474.969       310.4424 6789.700       
482.4951 6252.637       405.5306 179.1501 6.415005 172.0746 5.613426 7.075546 
8.524250 
1 1 1 3   -6  18 o 105.3561 4.443140  2355.362       195.9729 2292.473       
285.8598 2411.129       269.1862 103.9859 6.547865 106.7264 6.007615 -2.740486 
8.886280 
1 1 1 3   -6  19 o 103.5656 4.324636  2262.842       188.0373 0.000000       
0.000000 2262.842       188.0373 ?        ?        103.5656 4.324636 ? ? 
1 1 1 3   -6  20 o 45.50195 4.504883  433.1472       76.59591 453.2619       
148.2326 425.8201       89.46555 46.10199 7.658525 44.90192 4.745829 1.200073 
9.009767 
1 1 1 3   -6  21 o 52.05465 4.462347  571.0115       83.82506 582.8782       
170.0538 567.2026       96.34317 52.26699 7.749613 51.84231 4.426471 0.4246788 
8.924693 
1 1 1 3   -6  22 o 79.32925 3.821037  1424.002       113.4184 1119.297       
202.0730 1564.140       137.0400 72.52909 6.636163 86.12943 3.789806 -13.60033 
7.642074 
1 1 1 3   -6  23 o 165.2126 5.545149  5897.128       316.0081 5818.606       
675.5287 5919.124       357.5410 163.3659 9.849260 167.0592 5.097724 -3.693390 
11.09030 
1 1 1 3   -6  24 o 136.1980 4.180115  3888.551       182.6563 4081.705       
436.7912 3847.615       201.0825 137.4446 7.569503 134.9515 3.549095 2.493103 
8.360230 
1 1 1 3   -6  25 o 83.91592 3.581289  1462.203       111.5634 1588.271       
219.9160 1418.516       129.4586 85.99074 6.091527 81.84111 3.767735 4.149628 
7.162579 
1 1 1 3   -6  26 o 34.58614 5.966814  275.2980       77.69836 247.2257       
160.9855 283.8231       88.71522 32.88192 10.41667 36.29036 5.822747 -3.408443 
11.93363 
1 1 1 3   -6  27 o 32.11205 6.174189  228.1970       77.46875 266.1737       
154.0262 215.3370       89.63067 33.53516 10.10780 30.68895 7.093288 2.846209 
12.34838 
1 1 1 3   -6  28 o 61.45077 4.188741  791.7548       92.16176 901.3307       
193.0045 759.3900       104.8931 63.42463 7.248207 59.47691 4.200678 3.947723 
8.377481 
1 1 1 3   -6  29 o 67.38115 3.862769  1001.477       94.30994 990.4348       
187.3552 1005.225       109.1464 66.34333 6.726508 68.41898 3.799741 -2.075645 
7.725538 
1 1 1 3   -6  30 o 23.34767 6.276376  114.2091       80.54953 59.23331       
164.3598 131.5869       92.40753 22.90824 9.747061 23.78710 7.909892 
-0.8788567     12.55275 
1 1 1 3   -6  31 o 67.85899 4.306531  1097.209       106.3347 935.0501       
199.4634 1161.592       125.6838 62.72936 7.573794 72.98863 4.101521 -10.25927 
8.613062 
1 1 1 3   -6  32 o 40.03389 6.147240  410.0066       86.19588 414.4954       
184.9539 408.7611       97.42249 37.65024 11.01030 42.41753 5.470599 -4.767292 
12.29448 
1 1 1 3   -6  33 o 25.91683 7.411504  181.5985       114.3077 209.8418       
234.7674 172.8223       130.8679 26.77050 11.52700 25.06316 9.319331 1.707340 
14.82301 
1 1 1 3   -6  34 o 29.18886 7.950259  228.4011       112.2779 526.2598       
260.5511 160.4766       124.4231 34.65372 13.09262 23.72400 9.022743 10.92972 
15.90052 
1 1 1 3   -5  0  f 102.2087 1.886031  2232.900       74.95692 2301.834       
91.07791 2088.199       131.9560 104.7044 2.071901 99.71294 3.152091 4.991493 
3.772062 
1 1 1 3   -5  1  o 201.4591 3.530858  8277.871       220.4274 8160.263       
240.0803 8909.279       556.2766 197.1217 2.900970 205.7965 6.438338 -8.674850 
7.061715 
1 1 1 3   -5  2  o 170.4003 3.680715  6104.037       262.7430 6097.942       
384.3915 6109.382       359.9599 170.3127 5.375860 170.4880 5.028996 
-0.1753693     7.361431 
1 1 1 3   -5  3  o 320.6389 5.830394  21757.17       772.0092 22244.57       
1011.171 21076.03       1195.373 325.0712 7.409131 316.2066 9.004375 8.864594 
11.66079 
1 1 1 3   -5  4  o 326.1296 6.715987  22474.85       914.9853 21952.27       
1354.632 22913.29       1240.815 322.5543 10.00322 329.7050 8.964016 -7.150696 
13.43197 
1 1 1 3   -5  5  o 236.2107 5.130012  11614.28       494.9044 12293.92       
808.7586 11207.44       625.7394 241.6073 7.973150 230.8141 6.457319 10.79318 
10.26002 
1 1 1 3   -5  6  o 216.7772 3.254172  9678.355       245.8365 9526.851       
277.5293 10230.37       529.7518 212.9813 3.103762 220.5730 5.720594 -7.591660 
6.508343 
1 1 1 3   -5  7  o 95.22452 2.739437  1907.117       109.3955 1831.770       
156.2246 1979.609       153.2357 93.37482 3.985115 97.07421 3.759908 -3.699394 
5.478873 
1 1 1 3   -5  8  f 275.9651 5.529243  16133.08       623.7812 15614.15       
994.9908 16469.10       800.6614 272.1796 8.707322 279.7507 6.817086 -7.571136 
11.05849 
1 1 1 3   -5  9  o 138.9786 3.085670  4081.667       178.8405 4311.487       
243.7592 3813.737       263.1948 143.2495 4.053116 134.7077 4.653781 8.541748 
6.171339 
1 1 1 3   -5  10 o 214.9749 4.606234  9735.131       404.9070 9678.560       
650.1057 9770.984       517.5489 214.4045 7.222227 215.5454 5.719179 -1.140900 
9.212468 
1 1 1 3   -5  11 o 239.9599 5.485013  12096.21       550.8241 12552.32       
817.9036 11717.65       745.1371 244.0616 7.982220 235.8581 7.525000 8.203522 
10.97003 
1 1 1 3   -5  12 o 288.8264 3.824048  17661.41       458.4935 18431.31       
612.5105 16680.26       691.4597 296.0797 4.927492 281.5730 5.849206 14.50674 
7.648097 
1 1 1 3   -5  13 o 370.3990 6.132907  29075.64       665.2353 28796.04       
1759.797 29122.25       718.5532 368.6211 11.37113 372.1769 4.598653 -3.555817 
12.26581 
1 1 1 3   -5  14 o 65.36925 2.716833  901.2191       68.35802 890.4434       
124.3359 905.8870       81.83587 65.07147 4.551212 65.66703 2.968365 
-0.5955582     5.433666 
1 1 1 3   -5  15 o 215.5610 4.805391  9837.028       430.1544 9542.931       
653.1590 10062.28       571.6224 212.6233 7.316933 218.4987 6.231342 -5.875320 
9.610782 
1 1 1 3   -5  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -5  17 o 107.0591 3.289534  2367.584       128.7702 2510.041       
258.8544 2320.738       148.4407 109.0689 5.652955 105.0492 3.365746 4.019745 
6.579069 
1 1 1 3   -5  18 o 74.93147 5.376037  1185.487       169.1241 1185.487       
169.1241 0.000000       0.000000 74.93147 5.376037 ?        ?        ? ? 
1 1 1 3   -5  19 f 98.46234 3.445907  2085.455       139.5814 1791.635       
209.7680 2318.919       186.9862 92.05268 5.427800 104.8720 4.246891 -12.81932 
6.891814 
1 1 1 3   -5  20 o 167.9264 4.437219  5817.386       293.4503 6461.452       
525.2586 5525.145       353.8169 174.2179 7.181275 161.6350 5.213919 12.58287 
8.874438 
1 1 1 3   -5  21 o 172.8408 5.662379  6349.154       348.2169 6436.407       
718.9365 6322.412       398.0193 172.8338 9.907929 172.8479 5.484805 
-0.1405334E-01 11.32476 
1 1 1 3   -5  22 o 125.1792 3.665107  3289.359       183.9930 3397.978       
312.3348 3231.632       227.6950 126.6163 5.875596 123.7421 4.382854 2.874146 
7.330214 
1 1 1 3   -5  23 o 82.29590 3.701440  1373.929       105.1541 1543.746       
232.5297 1330.274       117.8980 85.15243 6.504327 79.43937 3.535018 5.713058 
7.402880 
1 1 1 3   -5  24 o 146.6934 5.221302  4180.594       237.0154 5322.427       
619.4064 3984.727       256.5397 156.2059 9.444942 137.1809 4.454328 19.02501 
10.44260 
1 1 1 3   -5  25 o 61.59673 4.000819  741.1976       91.53070 964.4769       
187.0397 670.8900       104.9569 66.96749 6.652590 56.22598 4.446262 10.74152 
8.001637 
1 1 1 3   -5  26 o 120.6451 4.168449  3076.819       184.3185 3233.983       
367.2101 3023.885       213.1095 122.0026 7.169129 119.2876 4.255285 2.715088 
8.336898 
1 1 1 3   -5  27 o 56.84887 4.192338  722.9933       86.53230 649.2004       
167.4460 749.8809       101.0750 54.35276 7.337943 59.34497 4.056774 -4.992218 
8.384677 
1 1 1 3   -5  28 o 17.31046 5.548592  -42.82296      74.47076 -12.09788      
150.7971 -52.73336      85.64301 20.59309 9.052225 14.02783 6.419089 6.565262 
11.09718 
1 1 1 3   -5  29 o 20.27836 5.876287  42.09351       71.45578 88.13763       
139.3380 25.66361       83.23385 23.46771 9.377510 17.08901 7.084159 6.378696 
11.75257 
1 1 1 3   -5  30 o 26.92546 6.261363  176.6149       77.26064 112.3595       
168.4038 193.7450       86.95148 25.26852 10.22079 28.58241 7.235620 -3.313887 
12.52273 
1 1 1 3   -5  31 f 29.13478 6.191394  225.6590       79.61981 133.1208       
171.5837 251.0523       89.88260 25.70855 10.35059 32.56102 6.796959 -6.852468 
12.38279 
1 1 1 3   -5  32 o 24.06730 6.545336  120.5930       80.29529 154.1576       
177.9310 112.0097       89.97816 26.10495 10.52784 22.02965 7.780124 4.075298 
13.09067 
1 1 1 3   -5  33 o 40.83827 6.018873  382.7378       90.16760 575.1765       
180.2073 318.4701       104.1412 45.83172 9.666838 35.84482 7.173533 9.986897 
12.03775 
1 1 1 3   -5  34 o 37.06314 7.447221  497.2495       135.9459 301.3343       
250.2666 579.2563       161.9174 28.40661 12.05504 45.71967 8.747593 -17.31306 
14.89444 
1 1 1 3   -4  0  o 245.9992 3.843460  12351.60       228.0284 12271.52       
238.7710 13181.97       768.8649 241.7484 2.352551 250.2501 7.318076 -8.501709 
7.686919 
1 1 1 3   -4  1  o 165.4136 3.004926  5808.300       182.3998 5626.630       
356.7782 5872.585       212.2316 163.6068 5.194191 167.2203 3.023027 -3.613510 
6.009851 
1 1 1 3   -4  2  o 107.7080 2.756885  2435.595       124.4354 2412.498       
170.4984 2461.920       182.0229 107.1643 3.789581 108.2518 4.005089 -1.087494 
5.513770 
1 1 1 3   -4  3  o 488.1140 9.547909  50481.75       1897.736 50467.95       
3083.263 50490.17       2407.867 487.5099 15.06427 488.7180 11.73533 -1.208160 
19.09582 
1 1 1 3   -4  4  o 290.4435 6.468411  17736.42       784.9830 18252.22       
1175.855 17321.73       1054.328 294.1913 9.520181 286.6958 8.759424 7.495514 
12.93682 
1 1 1 3   -4  5  o 40.71191 2.528366  346.9287       42.99833 359.9101       
64.59834 336.6019       57.61646 41.39222 3.717266 40.03160 3.428188 1.360619 
5.056732 
1 1 1 3   -4  6  o 123.8229 2.937012  3222.195       152.6320 3134.385       
216.1762 3309.485       215.5338 122.1386 4.215761 125.5072 4.090418 -3.368614 
5.874024 
1 1 1 3   -4  7  o 153.1349 2.925468  4828.219       158.9669 4744.987       
180.7433 5112.540       334.0577 150.3144 2.864064 155.9554 5.102019 -5.641068 
5.850937 
1 1 1 3   -4  8  o 337.2679 6.450918  24142.19       872.1371 23436.39       
1459.403 24534.28       1087.730 333.1817 10.43315 341.3542 7.589916 -8.172455 
12.90184 
1 1 1 3   -4  9  o 155.5669 3.603545  5089.546       234.9345 5048.514       
341.9164 5126.245       323.3552 154.9658 5.255391 156.1680 4.931837 -1.202225 
7.207090 
1 1 1 3   -4  10 o 376.8101 8.347729  30001.61       1317.699 30517.22       
1935.517 29556.18       1798.980 379.7416 12.14031 373.8786 11.46085 5.863037 
16.69546 
1 1 1 3   -4  11 o 163.3435 3.964394  5610.117       271.7934 5646.943       
389.4923 5575.165       379.4521 163.8629 5.661601 162.8240 5.550852 1.038956 
7.928788 
1 1 1 3   -4  12 o 305.8035 6.065160  19701.51       727.7830 19770.46       
1282.605 19668.76       883.8490 305.9528 9.985263 305.6543 6.887611 0.2984924 
12.13032 
1 1 1 3   -4  13 o 321.7421 5.850055  21846.01       696.2050 21795.88       
1354.484 21864.01       811.6263 321.1421 10.04611 322.3420 5.997361 -1.199951 
11.70011 
1 1 1 3   -4  14 o 98.99309 2.632419  2062.399       103.8891 2049.387       
177.0243 2069.235       128.3079 98.73797 4.270412 99.24820 3.079300 
-0.5102310     5.264837 
1 1 1 3   -4  15 o 38.98870 3.542464  314.0758       56.05722 341.8305       
93.61919 298.5627       69.99155 40.29761 5.533585 37.67979 4.424438 2.617817 
7.084929 
1 1 1 3   -4  16 f 24.99561 4.842221  150.3811       51.65512 37.36725       
115.6040 178.5737       57.73974 20.86058 8.455729 29.13063 4.721130 -8.270046 
9.684443 
1 1 1 3   -4  17 o 208.6065 6.849815  9194.086       599.9093 0.000000       
0.000000 9194.086       599.9093 ?        ?        208.6065 6.849815 ? ? 
1 1 1 3   -4  18 o 61.80527 5.982152  806.8647       155.2251 806.8647       
155.2251 0.000000       0.000000 61.80527 5.982152 ?        ?        ? ? 
1 1 1 3   -4  19 o 101.9953 3.593807  2182.864       142.8450 2231.497       
256.1346 2160.909       172.0929 102.7108 5.939819 101.2797 4.047264 1.431046 
7.187614 
1 1 1 3   -4  20 o 56.84989 4.116172  710.7413       88.42970 621.8129       
160.2649 749.6668       106.0315 54.07822 7.058900 59.62156 4.235967 -5.543346 
8.232344 
1 1 1 3   -4  21 o 73.88246 3.759941  1081.472       101.8218 1307.802       
209.7523 1011.694       116.4649 78.49496 6.364819 69.26995 4.004711 9.225014 
7.519882 
1 1 1 3   -4  22 o 79.35093 3.617520  1328.950       113.2361 1337.471       
197.6157 1324.785       138.1690 79.44482 5.924846 79.25704 4.152349 0.1877747 
7.235040 
1 1 1 3   -4  23 f 48.51230 4.776456  474.1795       80.82271 549.5506       
177.2757 454.4020       90.80967 50.64761 8.337028 46.37699 4.663914 4.270618 
9.552912 
1 1 1 3   -4  24 o 97.33084 3.799883  1956.703       138.3746 2129.162       
269.7219 1895.097       161.2057 99.93884 6.428401 94.72285 4.053655 5.215988 
7.599767 
1 1 1 3   -4  25 o 90.44831 3.785121  1686.829       131.9027 1879.249       
245.9798 1609.168       156.2699 93.72885 6.250968 87.16777 4.270124 6.561081 
7.570241 
1 1 1 3   -4  26 o 38.41178 5.975173  356.2824       87.01599 260.4896       
165.0130 393.1803       102.4125 33.96107 10.50819 42.86248 5.691106 -8.901409 
11.95035 
1 1 1 3   -4  27 o 22.36537 6.065179  82.02595       78.46818 49.45571       
134.4617 98.84626       96.62845 22.15599 9.071270 22.57475 8.053425 
-0.4187508     12.13036 
1 1 1 3   -4  28 o 32.52528 5.233243  309.3676       77.41132 -7.184269      
156.3930 412.0925       89.09071 21.23996 9.278267 43.81060 4.843668 -22.57063 
10.46649 
1 1 1 3   -4  29 o 111.4681 3.985368  2689.263       150.9224 2746.267       
331.1339 2674.318       169.5576 110.9629 7.107989 111.9732 3.606818 -1.010277 
7.970737 
1 1 1 3   -4  30 o 47.10744 5.363019  509.2450       83.75935 519.0715       
180.2688 506.5395       94.58970 45.89746 9.659439 48.31742 4.662954 -2.419964 
10.72604 
1 1 1 3   -4  31 o 22.90680 6.025507  107.4885       85.03004 -76.81540      
170.2723 168.7192       98.14349 19.35181 8.934542 26.46179 8.087084 -7.109980 
12.05101 
1 1 1 3   -4  32 o 29.43726 6.544696  218.3721       81.12492 208.2760       
181.5375 220.8914       90.68336 28.70631 10.90417 30.16821 7.240947 -1.461901 
13.08939 
1 1 1 3   -4  33 o 37.63054 5.932347  331.6237       80.63181 419.3373       
169.2939 305.8882       91.70084 38.80688 10.24065 36.45420 5.991655 2.352684 
11.86469 
1 1 1 3   -4  34 o 19.96879 6.151175  -5.396998      78.70139 201.7056       
177.0812 -56.37385      87.85497 26.52670 10.58056 13.41087 6.276913 13.11582 
12.30235 
1 1 1 3   -4  35 o 22.37482 6.757104  115.2335       107.7527 166.8896       
183.0173 87.82793       133.3062 24.14236 10.27919 20.60728 8.773377 3.535089 
13.51421 
1 1 1 3   -3  0  o 208.5947 3.545598  8931.376       212.6372 8853.592       
228.2425 9442.561       585.1135 205.3326 2.647645 211.8568 6.578376 -6.524292 
7.091196 
1 1 1 3   -3  1  o 120.8033 1.856174  2960.360       86.93883 2806.146       
103.3240 3334.250       160.8840 115.6061 2.128833 126.0005 3.041316 -10.39448 
3.712349 
1 1 1 3   -3  2  o 346.7531 3.546529  25264.26       515.7910 25096.09       
712.6665 25449.25       747.4534 345.5508 4.912420 347.9555 5.116600 -2.404694 
7.093058 
1 1 1 3   -3  3  o 320.6759 5.541461  21554.32       738.1013 20998.84       
969.6768 22319.51       1138.101 315.8511 7.312497 325.5006 8.328179 -9.649536 
11.08292 
1 1 1 3   -3  4  o 325.6447 7.361400  22328.21       1002.617 21779.80       
1353.055 22996.02       1493.097 321.2854 10.03103 330.0041 10.77680 -8.718750 
14.72280 
1 1 1 3   -3  5  o 83.07982 2.533926  1449.316       88.36570 1421.432       
123.5053 1478.561       126.4839 82.26152 3.576101 83.89811 3.590908 -1.636589 
5.067852 
1 1 1 3   -3  6  o 91.00313 2.670855  1739.837       102.0173 1790.590       
144.6300 1689.579       143.9211 92.32488 3.731305 89.68138 3.822464 2.643501 
5.341710 
1 1 1 3   -3  7  o 207.1826 3.645001  9116.064       289.4782 9255.549       
346.4151 8793.231       527.0159 209.8958 3.931101 204.4694 6.139265 5.426361 
7.290001 
1 1 1 3   -3  8  o 447.6467 6.173120  40450.75       720.4767 39977.70       
760.8770 44553.80       2240.849 436.2040 4.154760 459.0895 11.62616 -22.88550 
12.34624 
1 1 1 3   -3  9  o 180.3476 4.280396  6836.526       323.7806 6933.745       
469.7310 6748.524       446.9108 181.5620 6.162335 179.1331 5.942457 2.428879 
8.560793 
1 1 1 3   -3  10 o 404.3690 6.814934  34536.19       1155.604 35791.81       
1616.754 33224.64       1652.369 411.9519 9.347999 396.7862 9.919083 15.16565 
13.62987 
1 1 1 3   -3  11 o 573.8070 10.86299  69718.79       2432.114 70864.34       
4341.003 69194.68       2936.226 575.8629 17.95527 571.7511 12.23217 4.111755 
21.72597 
1 1 1 3   -3  12 o 41.83015 3.209570  369.1746       49.92014 364.6745       
96.14393 370.8356       58.41080 41.64314 5.499200 42.01716 3.311217 
-0.3740234     6.419140 
1 1 1 3   -3  13 o 72.64546 2.543111  1074.958       69.10874 1183.095       
135.2763 1036.768       80.39104 75.02982 4.294463 70.26110 2.725296 4.768715 
5.086222 
1 1 1 3   -3  14 o 275.9902 3.358143  16004.74       388.9420 15692.80       
540.4819 16339.77       560.1389 273.2061 4.712070 278.7742 4.785905 -5.568085 
6.716285 
1 1 1 3   -3  15 f 396.9861 4.816315  33061.89       792.6818 34106.56       
1230.103 32320.03       1036.610 402.2186 7.284512 391.7537 6.302655 10.46494 
9.632630 
1 1 1 3   -3  16 o 38.31952 3.331499  282.4948       50.52240 392.1752       
92.30664 235.5845       60.36740 43.16872 5.093131 33.47032 4.295993 9.698395 
6.662998 
1 1 1 3   -3  17 o 21.15465 5.509112  69.68651       63.84343 100.4483       
101.2584 49.38877       82.25241 23.36224 8.253142 18.94706 7.299788 4.415178 
11.01822 
1 1 1 3   -3  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -3  20 o 66.50809 3.744956  971.6848       97.53847 824.0391       
164.3658 1051.941       121.1822 62.36514 6.277559 70.65104 4.085464 -8.285904 
7.489911 
1 1 1 3   -3  21 o 134.9587 4.106758  3883.953       219.5163 3779.544       
376.6935 3937.643       270.1223 133.3674 6.727592 136.5501 4.711830 -3.182678 
8.213515 
1 1 1 3   -3  22 o 204.4130 5.242765  8842.296       444.4404 9273.904       
690.9584 8537.703       580.4528 208.4388 7.895770 200.3873 6.899504 8.051498 
10.48553 
1 1 1 3   -3  23 o 28.22318 6.588165  147.0084       80.26254 208.4792       
164.8287 127.9023       91.89325 31.75570 10.56412 24.69065 7.874966 7.065050 
13.17633 
1 1 1 3   -3  24 o 59.08057 4.660951  754.0724       98.32798 721.4918       
199.1100 764.5808       113.0786 58.00396 8.176296 60.15718 4.477278 -2.153217 
9.321901 
1 1 1 3   -3  25 f 110.2422 4.154985  2638.114       174.1432 2467.889       
318.1641 2710.921       208.0782 107.3016 7.062623 113.1828 4.378922 -5.881226 
8.309970 
1 1 1 3   -3  26 o 42.43338 5.042194  395.7780       80.61890 391.4695       
144.2994 397.7331       97.20438 41.67234 8.541860 43.19442 5.360178 -1.522072 
10.08439 
1 1 1 3   -3  27 o 50.57984 4.507365  531.0626       89.27010 608.9315       
162.4054 497.3489       106.8618 52.92863 7.308542 48.23104 5.277363 4.697590 
9.014729 
1 1 1 3   -3  28 o 27.82349 6.255518  157.5175       77.00724 223.8956       
140.7041 129.1325       92.01079 31.27053 9.708953 24.37645 7.890646 6.894085 
12.51104 
1 1 1 3   -3  29 o 27.14498 6.466309  166.0414       84.31977 120.3224       
159.9352 183.6410       99.23083 26.11140 10.15435 28.17856 8.008862 -2.067165 
12.93262 
1 1 1 3   -3  30 o 58.48215 4.144926  711.2222       93.38536 858.0651       
176.4959 654.1293       110.0523 61.99792 6.780763 54.96637 4.768953 7.031559 
8.289852 
1 1 1 3   -3  31 o 22.69073 6.475437  84.91914       88.70078 52.53037       
173.3808 96.40154       103.2333 23.34600 9.974471 22.03547 8.260451 1.310524 
12.95087 
1 1 1 3   -3  32 o 21.55412 6.367915  55.79588       81.26438 105.9938       
176.1527 42.22412       91.59347 24.87031 10.30760 18.23792 7.480296 6.632391 
12.73583 
1 1 1 3   -3  33 o 56.40495 4.664414  725.2804       97.84813 769.3558       
188.7103 709.0732       114.4327 56.28479 7.985932 56.52512 4.822026 
-0.2403297     9.328829 
1 1 1 3   -3  34 f 27.98558 6.817864  188.4782       84.91785 288.0678       
179.6247 159.8143       96.36662 30.99787 10.98804 24.97329 8.074405 6.024578 
13.63573 
1 1 1 3   -3  35 o 18.27005 5.979887  -18.18770      107.9556 -78.47150      
176.6227 17.76572       136.4006 18.00841 8.570295 18.53169 8.341835 
-0.5232830     11.95977 
1 1 1 3   -2  0  o 123.6714 2.108606  3210.670       109.4560 3276.448       
156.9036 3148.313       152.7675 124.9045 2.992097 122.4382 2.971906 2.466362 
4.217211 
1 1 1 3   -2  1  o 170.8710 2.825711  6133.392       202.1682 6126.653       
275.9324 6141.203       297.0523 170.7747 3.848577 170.9673 4.138481 
-0.1925812     5.651422 
1 1 1 3   -2  2  o 440.6578 8.697567  41098.07       1580.753 41197.48       
2053.910 40953.64       2475.773 441.6299 11.07756 439.6857 13.41188 1.944214 
17.39513 
1 1 1 3   -2  3  o 113.2131 2.088960  2672.755       98.91467 2921.297       
147.8957 2471.601       133.0518 117.9410 2.986839 108.4852 2.921267 9.455811 
4.177919 
1 1 1 3   -2  4  o 157.3619 3.087340  4997.507       157.0486 5529.911       
378.2475 4886.607       172.6321 162.1786 5.555250 152.5453 2.695528 9.633255 
6.174680 
1 1 1 3   -2  5  o 222.2718 3.360270  10296.38       268.6459 10216.32       
308.0192 10550.87       549.1553 220.5465 3.326585 223.9971 5.839476 -3.450577 
6.720539 
1 1 1 3   -2  6  o 252.2080 5.486501  13341.99       573.7944 13717.35       
889.1022 13074.06       751.1624 255.1807 8.298985 249.2354 7.178691 5.945313 
10.97300 
1 1 1 3   -2  7  o 112.2668 2.714885  2652.457       124.2525 2628.023       
200.9535 2667.581       158.0960 111.8372 4.279869 112.6964 3.341427 
-0.8592148     5.429770 
1 1 1 3   -2  8  o 37.45998 2.965801  291.4434       46.30604 345.5547       
69.45071 248.1355       62.13204 40.55529 4.078967 34.36467 4.306500 6.190617 
5.931603 
1 1 1 3   -2  9  o 233.5923 4.695878  11373.22       449.6332 11966.45       
726.5519 11005.00       572.4151 238.4308 7.258142 228.7539 5.960239 9.676880 
9.391756 
1 1 1 3   -2  10 o 184.2411 4.050435  7060.008       301.4075 7419.842       
505.7071 6861.760       375.3633 187.8017 6.413875 180.6806 4.948362 7.121155 
8.100869 
1 1 1 3   -2  11 o 29.91810 3.372889  171.3697       39.33101 259.8857       
71.02237 132.2167       47.23533 35.16359 4.810863 24.67261 4.728755 10.49098 
6.745778 
1 1 1 3   -2  12 o 203.3562 3.960346  8491.793       278.3567 9058.970       
607.9850 8341.378       313.0990 207.4514 6.980677 199.2610 3.742661 8.190460 
7.920692 
1 1 1 3   -2  13 o 291.0270 3.799109  17894.04       455.5380 18266.07       
593.3420 17359.92       710.9447 294.7802 4.794330 287.2740 5.894686 7.506195 
7.598218 
1 1 1 3   -2  14 o 314.5924 3.872255  20876.26       507.2366 21320.93       
679.4276 20316.35       762.4030 318.4305 5.082176 310.7543 5.843708 7.676147 
7.744510 
1 1 1 3   -2  15 o 249.4220 4.896697  12977.01       454.7381 13383.91       
883.0123 12830.15       530.4929 251.8574 8.350897 246.9865 5.115963 4.870880 
9.793394 
1 1 1 3   -2  16 o 234.6645 3.525387  11814.75       295.6184 11145.13       
597.2629 12032.03       340.2142 230.0368 6.184283 239.2922 3.386452 -9.255402 
7.050774 
1 1 1 3   -2  17 o 275.6311 6.508025  16289.31       689.5636 15588.43       
1245.146 16599.36       828.1564 270.7920 10.95231 280.4702 7.033098 -9.678253 
13.01605 
1 1 1 3   -2  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   -2  19 o 208.2411 5.965564  9089.564       430.7085 9431.392       
928.5012 8995.843       486.1815 210.0153 10.53059 206.4670 5.608786 3.548279 
11.93113 
1 1 1 3   -2  20 o 155.2826 5.792908  5097.428       377.6578 0.000000       
0.000000 5097.428       377.6578 ?        ?        155.2826 5.792908 ? ? 
1 1 1 3   -2  21 o 75.40424 3.550618  1147.563       103.6275 1339.830       
193.6344 1070.394       122.6733 79.55245 5.797625 71.25601 4.100622 8.296440 
7.101236 
1 1 1 3   -2  22 o 66.64802 3.818170  888.3685       88.06924 1032.996       
195.6140 851.6000       98.63084 69.72220 6.682671 63.57384 3.695348 6.148361 
7.636340 
1 1 1 3   -2  23 o 98.81868 3.551351  2029.482       135.3883 2150.991       
249.3038 1978.658       161.2360 100.7556 5.893602 96.88177 3.964068 3.873802 
7.102702 
1 1 1 3   -2  24 o 65.93819 4.066105  914.1488       93.35278 934.7507       
199.4398 908.3687       105.6399 66.23504 7.172080 65.64133 3.833289 0.5937042 
8.132210 
1 1 1 3   -2  25 o 175.8423 5.881245  6188.226       307.3190 7351.194       
830.2835 6003.604       330.8144 183.2470 10.79221 168.4376 4.678067 14.80946 
11.76249 
1 1 1 3   -2  26 o 38.15333 5.866016  372.9274       84.19617 203.5347       
163.7080 433.8480       98.17580 31.13480 10.52814 45.17186 5.176754 -14.03706 
11.73203 
1 1 1 3   -2  27 o 93.76863 3.643741  1893.591       129.2225 1830.634       
240.2160 1919.228       153.2923 92.33539 6.196620 95.20188 3.835269 -2.866493 
7.287481 
1 1 1 3   -2  28 o 33.36245 6.015062  266.3756       79.55616 190.6956       
162.6153 290.1888       91.21790 30.01972 10.47307 36.70517 5.919347 -6.685450 
12.03012 
1 1 1 3   -2  29 o 50.90267 4.522481  554.2813       88.81524 594.0291       
163.3379 537.5959       105.8274 51.80753 7.509571 49.99781 5.041598 1.809715 
9.044963 
1 1 1 3   -2  30 o 66.58552 4.111020  936.1458       103.7700 1049.309       
198.5754 893.6338       121.7107 68.72354 6.882418 64.44749 4.498253 4.276047 
8.222040 
1 1 1 3   -2  31 o 67.41478 4.258785  1041.813       106.7383 924.7271       
197.5519 1090.086       126.8476 63.75014 7.381101 71.07942 4.250689 -7.329285 
8.517570 
1 1 1 3   -2  32 o 26.61701 6.386314  172.2557       83.29430 123.4122       
157.0681 191.3660       98.24690 25.14668 9.985233 28.08735 7.964617 -2.940672 
12.77263 
1 1 1 3   -2  33 o 25.72985 6.616585  137.3722       83.34946 225.9962       
164.8082 106.9148       96.61599 29.42232 10.51548 22.03739 8.033767 7.384922 
13.23317 
1 1 1 3   -2  34 o 32.56091 6.658216  287.9719       89.59492 268.0757       
186.4007 293.9496       102.1714 30.55473 11.15686 34.56709 7.269926 -4.012363 
13.31643 
1 1 1 3   -2  35 o 33.87271 6.992978  347.9789       106.2478 298.9536       
184.6120 372.2593       129.9209 30.53139 11.10762 37.21404 8.498694 -6.682646 
13.98596 
1 1 1 3   -2  36 o 32.03477 7.860410  340.2361       116.3820 432.9171       
274.3737 319.9022       128.5163 31.08939 12.87340 32.98014 9.023293 -1.890755 
15.72082 
1 1 1 3   -1  0  o 507.5501 7.671135  54351.85       1631.514 53647.62       
2233.007 55158.28       2389.557 504.1084 10.55085 510.9919 11.13844 -6.883514 
15.34227 
1 1 1 3   -1  1  o 237.8756 4.923114  11891.46       490.7526 12158.10       
719.4585 11659.45       671.1184 240.3517 7.129836 235.3995 6.790703 4.952271 
9.846229 
1 1 1 3   -1  2  o 552.5494 5.517612  64274.15       1247.759 64223.23       
1595.564 64354.30       2001.998 552.4579 6.879171 552.6409 8.628627 
-0.1829834     11.03522 
1 1 1 3   -1  3  o 334.7093 5.721200  23649.66       800.4002 24236.75       
1090.001 22962.64       1179.117 339.2864 7.652119 330.1322 8.507269 9.154144 
11.44240 
1 1 1 3   -1  4  o 323.3491 5.819264  22161.59       766.3127 21440.94       
1234.439 22613.42       977.4570 318.9037 9.220003 327.7945 7.102596 -8.890778 
11.63853 
1 1 1 3   -1  5  o 331.4953 6.723190  23235.23       922.4856 22797.48       
1422.289 23553.11       1211.985 328.6598 10.30771 334.3307 8.634598 -5.670929 
13.44638 
1 1 1 3   -1  6  o 146.9500 2.904859  4560.184       176.7091 4686.075       
233.1281 4390.174       270.9163 149.3575 3.717823 144.5426 4.464373 4.814957 
5.809719 
1 1 1 3   -1  7  o 254.4810 5.677238  13600.03       603.0493 13291.28       
806.4240 13991.75       908.3209 251.2527 7.644934 257.7094 8.395183 -6.456680 
11.35448 
1 1 1 3   -1  8  o 326.6456 5.957231  22542.43       750.3637 22640.17       
899.4981 22318.76       1360.690 328.0500 6.531024 325.2412 9.964945 2.808807 
11.91446 
1 1 1 3   -1  9  o 142.7281 3.013484  4272.889       180.0189 4371.211       
266.5056 4190.382       244.1333 144.2310 4.401175 141.2251 4.117525 3.005981 
6.026969 
1 1 1 3   -1  10 o 252.5133 4.557342  13602.68       462.2239 12743.50       
762.6745 14101.48       581.1057 246.0367 7.383468 258.9899 5.344331 -12.95316 
9.114684 
1 1 1 3   -1  11 o 356.0836 5.790069  26756.43       764.8100 26616.77       
1480.465 26807.27       893.2337 355.1495 9.929055 357.0177 5.959316 -1.868195 
11.58014 
1 1 1 3   -1  12 o 394.1752 7.706360  32541.43       1164.285 33537.78       
2154.142 32130.25       1383.826 397.8867 12.89544 390.4636 8.441546 7.423187 
15.41272 
1 1 1 3   -1  13 o 387.5566 7.265564  31450.23       1059.985 32339.73       
2020.104 31112.28       1245.172 390.7923 12.31257 384.3209 7.717144 6.471405 
14.53113 
1 1 1 3   -1  14 o 164.7312 2.871882  5687.384       196.6854 5806.646       
301.2589 5598.782       259.6634 166.2215 4.316916 163.2409 3.788809 2.980621 
5.743765 
1 1 1 3   -1  15 o 246.3264 4.604905  12794.20       419.2909 12731.30       
816.2745 12816.74       488.6889 245.7450 7.911751 246.9078 4.714317 -1.162735 
9.209809 
1 1 1 3   -1  16 o 294.2707 5.039978  18572.58       571.7136 17425.27       
1022.627 19094.21       689.5388 287.2989 8.478216 301.2426 5.452095 -13.94370 
10.07996 
1 1 1 3   -1  17 o 158.5435 3.184620  5283.829       211.9114 5115.562       
296.0669 5460.587       303.4452 155.9555 4.521789 161.1315 4.485605 -5.175980 
6.369241 
1 1 1 3   -1  18 o 142.8665 6.266723  4304.326       375.8806 0.000000       
0.000000 4304.326       375.8806 ?        ?        142.8665 6.266723 ? ? 
1 1 1 3   -1  19 o 118.7189 3.135534  2947.119       137.2130 3009.414       
270.0189 2925.433       159.3162 119.4771 5.383080 117.9607 3.216946 1.516365 
6.271067 
1 1 1 3   -1  20 o 64.05175 2.908967  843.6638       70.80170 911.6627       
134.4680 817.5811       83.28089 65.75467 4.870948 62.34883 3.181545 3.405842 
5.817935 
1 1 1 3   -1  21 o 96.91243 3.604163  2003.710       135.9074 1928.895       
240.6534 2038.745       164.6830 95.45724 6.004879 98.36761 3.987655 -2.910370 
7.208325 
1 1 1 3   -1  22 o 129.3481 8.181459  3575.597       444.2932 3575.597       
444.2932 0.000000       0.000000 129.3481 8.181459 ?        ?        ? ? 
1 1 1 3   -1  23 o 71.62811 4.125570  1222.636       103.6718 826.8809       
194.0871 1380.630       122.6320 62.29986 7.420459 80.95638 3.608062 -18.65652 
8.251141 
1 1 1 3   -1  24 o 185.3630 5.298995  6989.769       289.1639 7808.855       
780.7302 6859.543       311.3032 190.3781 9.767983 180.3479 4.111438 10.03029 
10.59799 
1 1 1 3   -1  25 o 194.1839 5.878603  7885.881       425.3847 8547.194       
832.3646 7652.103       494.8937 198.6185 9.981941 189.7492 6.212307 8.869247 
11.75721 
1 1 1 3   -1  26 o 70.14494 3.810114  1029.790       101.4261 1082.757       
191.5956 1009.167       119.5517 71.20234 6.409324 69.08754 4.121705 2.114799 
7.620229 
1 1 1 3   -1  27 o 187.9433 5.551583  7671.875       410.2399 7631.842       
716.1441 7691.429       500.4981 186.4928 9.146597 189.3939 6.294446 -2.901169 
11.10317 
1 1 1 3   -1  28 o 65.23348 3.766948  842.6420       93.40773 1073.548       
182.9235 761.1960       108.6395 70.62161 6.169544 59.84535 4.323925 10.77626 
7.533897 
1 1 1 3   -1  29 o 101.5398 3.486293  2142.161       134.5860 2369.554       
256.1797 2055.475       158.1724 104.7398 5.825781 98.33993 3.831086 6.399826 
6.972586 
1 1 1 3   -1  30 o 32.28997 6.110783  221.4307       78.03954 313.9621       
148.3276 186.0128       91.76755 36.20636 9.599891 28.37357 7.563649 7.832796 
12.22157 
1 1 1 3   -1  31 f 87.06882 3.800236  1589.133       120.5905 1793.538       
245.7803 1524.326       138.3933 89.81539 6.518045 84.32225 3.909255 5.493141 
7.600472 
1 1 1 3   -1  32 o 15.03351 5.072481  -103.1299      76.52899 -119.5862      
151.9251 -97.53443      88.58936 17.30651 8.127704 12.76051 6.071299 4.546004 
10.14496 
1 1 1 3   -1  33 o 62.56131 4.434405  839.6565       106.8279 1018.377       
201.7289 770.0038       125.9360 66.12026 7.266992 59.00235 5.083956 7.117912 
8.868810 
1 1 1 3   -1  34 o 30.65705 6.900889  226.6055       89.08849 317.6666       
182.6051 198.1603       102.0588 33.31928 11.11919 27.99482 8.176346 5.324459 
13.80178 
1 1 1 3   -1  35 o 25.75004 6.977479  137.2537       103.7709 297.1825       
179.9214 57.53545       127.0277 31.31804 11.00764 20.18205 8.577461 11.13599 
13.95496 
1 1 1 3   -1  36 o 18.97181 6.211281  -1.387624      112.5494 -306.8546      
272.6406 61.36161       123.5699 18.48773 9.179523 19.45589 8.369971 
-0.9681625     12.42256 
1 1 1 3   0   0  o 223.9066 2.932988  10415.42       255.0218 10842.05       
462.4885 10229.03       305.6961 227.1284 4.850098 220.6848 3.299428 6.443634 
5.865976 
1 1 1 3   0   1  o 546.9337 7.405979  62969.31       1700.576 62969.31       
1700.576 0.000000       0.000000 546.9337 7.405979 ?        ?        ? ? 
1 1 1 3   0   2  f 205.4527 4.177336  8802.653       355.5950 9318.617       
555.8889 8445.285       462.6317 210.4817 6.290638 200.4236 5.498036 10.05811 
8.354671 
1 1 1 3   0   3  o 214.8493 3.139062  9639.442       249.1176 9826.152       
488.6047 9573.857       289.5840 216.1958 5.383088 213.5029 3.230665 2.692932 
6.278123 
1 1 1 3   0   4  o 256.7856 5.492537  13885.01       592.0963 14063.27       
836.8968 13706.37       837.8052 258.4413 7.713136 255.1300 7.821727 3.311340 
10.98507 
1 1 1 3   0   5  o 224.7015 5.027357  10612.55       473.1021 10440.76       
644.5075 10813.27       696.6674 222.7496 6.891790 226.6533 7.321237 -3.903702 
10.05471 
1 1 1 3   0   6  o 356.1143 6.011847  26879.32       785.3218 27051.35       
912.6345 26388.53       1541.507 358.6442 6.061137 353.5843 10.38421 5.059967 
12.02369 
1 1 1 3   0   7  o 100.4795 2.736566  2086.808       114.0778 2339.737       
178.7386 1912.963       148.1840 105.5307 4.034232 95.42831 3.698667 10.10235 
5.473132 
1 1 1 3   0   8  o 195.6774 4.338774  8015.649       354.7832 7689.152       
475.5042 8425.657       532.8582 191.2163 5.923120 200.1385 6.341648 -8.922180 
8.677548 
1 1 1 3   0   9  o 242.1675 3.154615  12342.12       306.5830 12258.84       
514.9846 12387.84       381.5664 241.4970 5.079297 242.8380 3.742609 -1.341034 
6.309229 
1 1 1 3   0   10 f 395.7098 7.396795  33048.18       1131.536 33080.58       
2047.843 33033.95       1357.604 395.4117 12.33582 396.0078 8.165646 
-0.5960693     14.79359 
1 1 1 3   0   11 o 273.4186 4.987257  15822.67       552.4952 15390.75       
902.7983 16081.29       698.5894 270.3211 7.954847 276.5162 6.017588 -6.195068 
9.974515 
1 1 1 3   0   12 o 135.9954 2.940263  3848.073       156.0878 3988.651       
280.0928 3784.751       187.9828 137.7566 4.842957 134.2342 3.335617 3.522385 
5.880525 
1 1 1 3   0   13 o 254.5622 3.913802  13577.32       416.7113 14169.20       
621.7518 13094.62       561.4836 259.5671 5.705432 249.5573 5.359050 10.00978 
7.827603 
1 1 1 3   0   14 o 237.4505 4.612196  11665.69       387.9211 12240.67       
815.2442 11497.40       441.0524 241.0102 8.056998 233.8908 4.491569 7.119431 
9.224392 
1 1 1 3   0   15 o 131.8605 2.771737  3651.563       137.9324 3657.955       
260.3031 3649.067       162.6435 131.9120 4.700197 131.8090 2.939089 0.1030273 
5.543474 
1 1 1 3   0   16 o 244.8666 3.288999  12519.77       330.5479 13011.28       
530.7935 12208.41       422.4650 248.7276 5.083030 241.0057 4.175270 7.721878 
6.577999 
1 1 1 3   0   17 o 270.4117 6.904597  15456.09       720.9931 15529.82       
1308.192 15423.92       864.0704 270.4384 11.52190 270.3849 7.611807 
0.5352783E-01  13.80919 
1 1 1 3   0   18 o 203.2690 5.051988  8696.925       431.1341 0.000000       
0.000000 8696.925       431.1341 ?        ?        203.2690 5.051988 ? ? 
1 1 1 3   0   19 o 139.4544 3.691972  3853.388       164.0513 4480.749       
406.8349 3731.571       179.2724 145.6718 6.652177 133.2370 3.204866 12.43483 
7.383944 
1 1 1 3   0   20 o 141.4214 3.895775  4088.320       192.3499 4459.678       
416.1941 3987.455       216.9048 145.1836 6.828093 137.6593 3.753053 7.524307 
7.791551 
1 1 1 3   0   21 o 47.95315 3.630081  471.9020       64.94321 515.0040       
127.3417 456.7509       75.49962 49.33386 6.148178 46.57243 3.861330 2.761429 
7.260163 
1 1 1 3   0   22 o 165.5540 4.063637  5862.831       274.2215 5534.725       
437.4591 6075.210       351.9543 161.5177 6.451167 169.5903 4.943180 -8.072510 
8.127274 
1 1 1 3   0   23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   0   24 o 171.1949 4.552197  6066.595       309.2871 6692.622       
544.3553 5768.162       375.8455 177.2788 7.313862 165.1109 5.421938 12.16786 
9.104394 
1 1 1 3   0   25 o 25.87656 6.075712  139.7382       75.17999 92.96719       
138.1882 159.4014       89.60036 24.79840 9.486144 26.95471 7.594090 -2.156311 
12.15142 
1 1 1 3   0   26 o 123.0578 3.576918  3200.697       164.0327 3228.465       
316.0195 3190.456       191.9099 123.1523 6.112127 122.9634 3.717428 0.1889420 
7.153836 
1 1 1 3   0   27 o 89.80926 3.487359  1478.250       111.8173 2188.663       
248.4786 1297.855       125.2118 101.2659 5.844494 78.35263 3.806386 22.91325 
6.974718 
1 1 1 3   0   28 o 63.34731 4.212461  907.3815       97.49503 760.8428       
183.5352 964.9869       115.0733 59.23117 7.380573 67.46346 4.062816 -8.232296 
8.424923 
1 1 1 3   0   29 o 79.59787 3.570187  1306.591       109.6606 1482.126       
204.6016 1235.842       129.8932 82.94366 5.875528 76.25207 4.057477 6.691597 
7.140375 
1 1 1 3   0   30 o 68.15234 3.926401  976.9719       101.6049 1071.158       
193.2033 940.9647       119.4581 69.95318 6.578520 66.35152 4.288308 3.601662 
7.852803 
1 1 1 3   0   31 o 36.44784 5.981951  378.4442       92.24770 111.5508       
181.3833 471.5621       107.1383 26.37377 10.63228 46.52190 5.485400 -20.14813 
11.96390 
1 1 1 3   0   32 o 57.58844 4.870790  774.1017       100.5986 690.7408       
195.8950 803.9592       117.2382 54.29144 8.594350 60.88544 4.586452 -6.593998 
9.741581 
1 1 1 3   0   33 o 18.15613 5.625583  5.077902       80.23412 -204.3368      
180.0080 56.99748       89.63007 17.33311 8.350122 18.97916 7.540835 -1.646053 
11.25117 
1 1 1 3   0   34 o 20.78626 6.033112  72.98452       75.50566 -17.41541      
179.1828 92.50253       83.25872 20.91590 9.479931 20.65662 7.464895 0.2592735 
12.06622 
1 1 1 3   0   35 o 27.90761 7.584248  201.3895       111.0553 186.5081       
262.7204 204.6270       122.5419 28.01118 12.12905 27.80404 9.108758 0.2071342 
15.16850 
1 1 1 3   0   36 o 20.05232 6.452060  29.53415       104.6348 -42.60022      
237.7176 46.86814       116.5305 21.21243 10.02275 18.89221 8.127779 2.320215 
12.90412 
1 1 1 3   1   0  o 409.5145 6.184444  35374.00       1061.936 36140.51       
1475.230 34549.65       1529.868 414.1700 8.484029 404.8591 9.000593 9.310883 
12.36889 
1 1 1 3   1   1  o 327.9962 3.603564  22450.02       456.1535 22203.45       
545.0164 23026.71       833.5015 325.0945 3.993200 330.8979 5.999754 -5.803406 
7.207128 
1 1 1 3   1   2  o 189.0822 3.107061  7511.990       246.6422 7586.104       
350.1348 7438.991       347.4897 190.0081 4.389189 188.1563 4.398901 1.851791 
6.214122 
1 1 1 3   1   3  o 131.2571 2.508518  3636.558       137.5605 3914.108       
190.6563 3335.182       198.6708 136.5116 3.326615 126.0026 3.755568 10.50903 
5.017037 
1 1 1 3   1   4  o 248.3239 4.317039  13078.12       441.6625 12364.16       
684.1815 13588.19       578.2955 242.4146 6.722544 254.2331 5.417998 -11.81847 
8.634078 
1 1 1 3   1   5  o 119.6055 2.598641  3020.271       129.8290 2764.110       
187.5413 3256.005       179.9084 114.7058 3.894326 124.5051 3.441797 -9.799255 
5.197283 
1 1 1 3   1   6  o 227.2289 4.395266  10862.06       417.0390 10840.11       
622.6379 10879.92       561.6331 226.9973 6.533350 227.4606 5.881223 
-0.4632721     8.790532 
1 1 1 3   1   7  o 236.8120 3.853904  11824.25       373.6564 11947.74       
479.4686 11633.25       596.2913 238.4319 4.789794 235.1920 6.038889 3.239975 
7.707808 
1 1 1 3   1   8  o 101.5088 1.913673  2153.645       80.20886 2218.829       
126.2128 2109.485       103.8845 102.7880 2.924704 100.2296 2.468742 2.558395 
3.827346 
1 1 1 3   1   9  o 230.0532 3.514693  11173.50       309.9768 11001.77       
567.2531 11246.61       370.1260 228.7272 5.907178 231.3792 3.810187 -2.652039 
7.029387 
1 1 1 3   1   10 o 263.3833 4.207716  14744.36       383.5079 14314.01       
816.9905 14865.99       434.3349 260.7539 7.462893 266.0127 3.889049 -5.258789 
8.415431 
1 1 1 3   1   11 o 252.6123 2.788543  13337.34       277.5143 13605.58       
487.4986 13208.74       337.5444 254.4467 4.563495 250.7778 3.205995 3.668854 
5.577086 
1 1 1 3   1   12 o 319.8483 5.495551  21763.49       725.1393 20241.64       
1112.579 22887.40       956.1165 309.9200 8.550712 329.7766 6.905769 -19.85657 
10.99110 
1 1 1 3   1   13 o 222.9081 3.134180  10610.00       257.5222 10088.95       
497.8241 10800.37       300.9117 219.0518 5.413151 226.7644 3.160715 -7.712585 
6.268359 
1 1 1 3   1   14 o 139.9428 2.606305  4210.295       140.5788 3867.682       
250.1747 4368.401       169.9474 135.6617 4.392453 144.2239 2.806715 -8.562225 
5.212609 
1 1 1 3   1   15 o 384.9588 6.897166  31518.57       1085.759 30258.65       
1726.101 32343.48       1396.679 378.2724 10.86883 391.6453 8.494246 -13.37292 
13.79433 
1 1 1 3   1   16 o 371.3084 6.367550  29389.61       957.0811 27987.42       
1557.724 30239.92       1213.051 363.8313 10.19792 378.7856 7.627929 -14.95425 
12.73510 
1 1 1 3   1   17 o 192.4896 3.801006  7523.916       206.3702 8169.549       
584.4051 7431.935       220.5812 196.8789 7.070268 188.1004 2.793187 8.778564 
7.602012 
1 1 1 3   1   18 o 178.9520 3.768204  6655.331       215.9543 6874.175       
517.5250 6609.190       237.6319 180.5526 6.827295 177.3514 3.191472 3.201172 
7.536408 
1 1 1 3   1   19 o 70.81963 3.120063  1053.214       81.34045 1059.653       
159.8239 1050.963       94.49368 70.92556 5.367350 70.71371 3.182880 0.2118530 
6.240126 
1 1 1 3   1   20 o 147.7119 3.800508  4515.567       204.4746 4771.776       
413.0568 4432.403       235.3320 150.2791 6.546845 145.1447 3.861899 5.134460 
7.601017 
1 1 1 3   1   21 o 48.78075 3.802162  462.8314       66.47675 580.0079       
142.7119 430.3610       75.12478 52.35145 6.493108 45.21005 3.957941 7.141399 
7.604325 
1 1 1 3   1   22 o 198.6561 4.966805  8490.585       372.0362 8130.516       
693.7567 8635.932       440.7746 195.1352 8.468229 202.1770 5.192851 -7.041809 
9.933610 
1 1 1 3   1   23 o 28.01041 6.498962  137.6997       72.26334 213.7750       
171.0037 121.1610       79.73235 32.20544 10.76018 23.81537 7.291399 8.390066 
12.99792 
1 1 1 3   1   24 o 113.3705 4.591885  2713.384       218.5597 0.000000       
0.000000 2713.384       218.5597 ?        ?        113.3705 4.591885 ? ? 
1 1 1 3   1   25 o 79.56916 3.435723  1331.032       107.6104 1357.429       
189.2079 1318.410       130.8306 80.05987 5.629185 79.07845 3.940691 0.9814148 
6.871446 
1 1 1 3   1   26 o 170.9891 4.475316  6282.580       280.3989 6088.912       
548.4462 6351.116       326.2631 168.6215 7.747152 173.3566 4.482792 -4.735062 
8.950631 
1 1 1 3   1   27 o 84.78348 3.738430  1507.392       120.9818 1576.331       
226.0445 1479.716       143.2216 85.91484 6.266814 83.65212 4.078049 2.262718 
7.476861 
1 1 1 3   1   28 o 57.23186 4.328511  740.0104       94.56210 602.0422       
164.2752 808.3814       115.6428 52.74985 7.417743 61.71387 4.463306 -8.964024 
8.657022 
1 1 1 3   1   29 o 73.01755 3.695455  1155.548       107.8061 1088.247       
179.8619 1193.283       134.6798 71.11327 6.024343 74.92184 4.281688 -3.808571 
7.390911 
1 1 1 3   1   30 o 103.6109 3.995201  2304.571       153.5805 2345.532       
297.6858 2289.713       179.2824 103.5633 6.846572 103.6586 4.119586 
-0.9526062E-01 7.990403 
1 1 1 3   1   31 o 65.44459 4.104620  950.0024       102.3310 892.8433       
185.8175 974.8832       122.5964 63.46528 6.973833 67.42389 4.330967 -3.958607 
8.209240 
1 1 1 3   1   32 o 36.25735 6.029435  349.2946       86.22118 208.4753       
170.0521 398.0231       100.0327 29.92293 10.68276 42.59177 5.594195 -12.66883 
12.05887 
1 1 1 3   1   33 o 58.91302 4.163896  716.3828       94.52401 924.2939       
180.5781 637.9141       110.9365 63.83519 6.737923 53.99086 4.894129 9.844330 
8.327791 
1 1 1 3   1   34 o 35.27379 5.743219  352.3938       79.08953 188.3036       
160.0615 405.3984       90.97088 27.76166 10.30974 42.78592 5.064336 -15.02427 
11.48644 
1 1 1 3   1   35 o 53.37591 6.909568  752.9733       117.8247 728.6122       
262.9388 759.0940       131.7979 48.75551 12.71492 57.99632 5.412891 -9.240807 
13.81914 
1 1 1 3   1   36 f 20.82129 6.555392  43.12479       108.9049 -81.38699      
232.1889 78.24236       123.3100 20.85747 9.878802 20.78512 8.619857 
0.7234383E-01  13.11078 
1 1 1 3   1   37 o 33.14731 7.744268  361.7023       116.4767 423.1925       
248.7703 344.4377       131.8180 31.87346 12.59475 34.42115 9.014821 -2.547689 
15.48854 
1 1 1 3   2   0  o 356.1292 5.506002  26718.36       815.5193 26800.04       
1082.747 26611.27       1239.772 356.8344 7.227386 355.4240 8.308377 1.410370 
11.01200 
1 1 1 3   2   1  o 263.4848 3.773959  14598.96       357.2081 14603.12       
410.1393 14585.86       726.9436 263.6615 3.705150 263.3081 6.575935 0.3533936 
7.547917 
1 1 1 3   2   2  o 267.8000 2.748532  14983.32       301.1172 14707.02       
383.1243 15429.77       487.0177 264.6101 3.448691 270.9898 4.280682 -6.379639 
5.497063 
1 1 1 3   2   3  o 282.0148 4.381404  16936.72       455.2428 16290.57       
883.1986 17170.50       531.2542 278.1714 7.562526 285.8581 4.426626 -7.686676 
8.762809 
1 1 1 3   2   4  o 480.1454 8.262248  48783.87       1623.523 48972.49       
2078.704 48488.85       2599.724 481.7115 10.27843 478.5793 12.93881 3.132263 
16.52450 
1 1 1 3   2   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   2   6  o 191.9357 4.093590  7745.458       329.8429 7873.839       
469.2151 7620.040       463.7693 193.5086 5.775543 190.3628 5.802845 3.145798 
8.187180 
1 1 1 3   2   7  o 95.08897 1.661070  1885.383       65.93848 1625.018       
89.56987 2193.430       97.42699 87.97100 2.425177 102.2069 2.270492 -14.23595 
3.322140 
1 1 1 3   2   8  o 218.4057 2.255382  10149.56       201.7219 9376.096       
315.8983 10682.10       262.1238 211.2739 3.561414 225.5376 2.768272 -14.26364 
4.510765 
1 1 1 3   2   9  o 282.7130 3.443252  16896.67       390.5261 16461.21       
653.1880 17138.92       487.1906 279.8094 5.560284 285.6167 4.062903 -5.807251 
6.886504 
1 1 1 3   2   10 o 53.42247 2.205003  573.6311       45.97340 668.8954       
84.60794 533.7206       54.76326 56.43021 3.571252 50.41473 2.587336 6.015476 
4.410006 
1 1 1 3   2   11 f 166.8213 2.954300  5917.444       195.0410 5633.259       
333.5887 6065.049       240.4151 163.7150 4.853374 169.9276 3.369913 -6.212616 
5.908600 
1 1 1 3   2   12 f 261.1407 3.075519  14410.58       328.9124 13952.26       
522.2371 14711.90       423.4492 257.6493 4.827918 264.6320 3.811361 -6.982666 
6.151037 
1 1 1 3   2   13 o 197.7378 3.426048  8228.007       256.1702 8196.127       
481.1911 8240.615       302.6178 197.4150 5.805751 198.0607 3.639296 
-0.6456299     6.852097 
1 1 1 3   2   14 o 95.43357 2.356916  1866.667       88.41012 2043.726       
158.5143 1786.717       106.5164 98.62917 3.828108 92.23798 2.750602 6.391190 
4.713833 
1 1 1 3   2   15 o 328.7518 4.226737  22792.78       581.8376 21694.92       
840.5355 23802.83       806.2220 321.1008 6.234991 336.4027 5.708424 -15.30197 
8.453473 
1 1 1 3   2   16 f 197.2866 3.149986  8176.442       260.8314 7955.347       
363.8661 8410.136       374.0889 194.5448 4.454951 200.0284 4.454554 -5.483566 
6.299971 
1 1 1 3   2   17 o 249.7286 10.33454  13197.66       1083.524 13197.66       
1083.524 0.000000       0.000000 249.7286 10.33454 ?        ?        ? ? 
1 1 1 3   2   18 o 153.3554 2.746437  4881.466       173.0537 5237.111       
278.7828 4658.518       220.7288 157.8244 4.207390 148.8863 3.531223 8.938110 
5.492874 
1 1 1 3   2   19 o 106.3876 2.092767  2346.233       89.76020 2491.076       
151.5849 2268.022       111.3883 108.8688 3.316449 103.9063 2.553400 4.962555 
4.185533 
1 1 1 3   2   20 o 243.2004 3.380124  12419.90       344.2783 12945.03       
508.6372 11975.89       467.7009 247.9135 4.886849 238.4873 4.671152 9.426224 
6.760249 
1 1 1 3   2   21 o 99.33347 3.092447  2038.454       105.0509 2147.663       
232.0417 2010.301       117.8162 100.8785 5.478835 97.78838 2.869716 3.090157 
6.184894 
1 1 1 3   2   22 o 180.8932 3.577012  6839.120       256.2561 7115.729       
447.3833 6704.055       312.6206 183.4245 5.809564 178.3619 4.174808 5.062561 
7.154024 
1 1 1 3   2   23 o 74.25240 3.332420  1222.233       89.54523 1047.703       
172.7843 1286.322       104.7031 70.32986 5.851746 78.17494 3.190165 -7.845085 
6.664839 
1 1 1 3   2   24 o 147.0146 3.859543  4656.219       207.2958 4404.711       
405.1055 4745.437       241.2775 143.9757 6.701931 150.0536 3.829936 -6.077835 
7.719086 
1 1 1 3   2   25 o 45.06227 4.872011  417.1955       89.09915 488.2224       
150.5564 378.9123       110.5332 47.86157 7.492613 42.26298 6.229505 5.598587 
9.744022 
1 1 1 3   2   26 o 47.79655 9.256445  507.6559       179.1165 507.6559       
179.1165 0.000000       0.000000 47.79655 9.256445 ?        ?        ? ? 
1 1 1 3   2   27 o 22.28633 6.462284  25.75901       86.02496 105.4936       
170.8805 -1.308099      99.56120 26.93442 10.49160 17.63825 7.547892 9.296171 
12.92457 
1 1 1 3   2   28 o 107.0527 3.284959  2452.106       142.4528 2355.302       
231.9023 2510.771       180.5283 105.1780 5.251718 108.9274 3.947567 -3.749367 
6.569918 
1 1 1 3   2   29 o 73.92851 3.777326  1087.539       106.0626 1361.572       
207.3811 990.4699       123.4262 79.56787 6.208013 68.28915 4.305037 11.27872 
7.554652 
1 1 1 3   2   30 o 66.02290 4.095315  917.2606       102.9901 994.5365       
194.3889 887.1038       121.4344 67.56068 6.853279 64.48512 4.485422 3.075562 
8.190631 
1 1 1 3   2   31 o 49.33469 5.553567  561.3336       96.80955 527.9201       
187.5265 573.4742       113.0370 47.13356 9.801764 51.53583 5.224352 -4.402267 
11.10713 
1 1 1 3   2   32 o 74.23351 3.997536  1196.195       110.9334 1227.050       
212.4662 1184.631       130.0707 74.19808 6.820533 74.26894 4.171511 
-0.7086182E-01 7.995072 
1 1 1 3   2   33 o 87.71043 3.603017  1606.169       111.6401 1834.114       
238.5507 1542.245       126.3280 90.58192 6.272782 84.83896 3.546707 5.742958 
7.206034 
1 1 1 3   2   34 o 60.20901 4.132747  834.6800       93.03095 758.4944       
171.4776 866.4569       110.7459 57.26510 7.132445 63.15292 4.176913 -5.887821 
8.265493 
1 1 1 3   2   35 o 30.45871 7.821717  207.8981       110.7013 381.6306       
240.3154 161.1023       124.7223 35.27520 12.68881 25.64221 9.149378 9.632990 
15.64343 
1 1 1 3   2   36 o 49.98837 6.846366  661.3130       116.3769 685.1659       
246.1383 654.4455       132.0718 46.77401 12.35027 53.20272 5.912855 -6.428711 
13.69273 
1 1 1 3   2   37 o 27.96429 7.308731  246.7377       110.2054 198.2863       
244.6624 259.0705       123.4369 26.00945 11.47523 29.91913 9.054788 -3.909678 
14.61746 
1 1 1 3   3   0  o 296.5818 3.956897  18499.55       489.3512 18542.52       
655.4158 18445.43       735.5980 296.9988 5.256338 296.1648 5.915999 0.8339844 
7.913794 
1 1 1 3   3   1  o 348.3493 4.283996  25586.41       624.3795 24574.78       
910.6393 26483.92       857.7446 341.8029 6.345878 354.8957 5.756762 -13.09280 
8.567991 
1 1 1 3   3   2  o 522.2216 6.282863  57362.78       1377.499 0.000000       
0.000000 57362.78       1377.499 ?        ?        522.2216 6.282863 ? ? 
1 1 1 3   3   3  o 246.7209 3.664351  12601.73       286.6954 12501.70       
314.5425 13092.78       696.9268 243.9809 3.070750 249.4609 6.654350 -5.480011 
7.328703 
1 1 1 3   3   4  o 83.88094 2.062396  1464.622       72.27715 1346.943       
96.59023 1614.353       108.9536 80.08643 2.872733 87.67545 2.959950 -7.589020 
4.124791 
1 1 1 3   3   5  o 385.0905 7.262692  31342.49       1171.773 30458.80       
1698.005 32145.95       1619.085 379.8237 10.64825 390.3573 9.879354 -10.53360 
14.52538 
1 1 1 3   3   6  o 178.1193 2.068964  6657.928       146.5379 6678.211       
251.6499 6647.521       180.2506 178.3120 3.361531 177.9266 2.412997 0.3854065 
4.137928 
1 1 1 3   3   7  o 59.25472 1.838366  773.1246       43.56738 570.8774       
66.53190 924.9567       57.64616 52.13684 3.039529 66.37260 2.068724 -14.23576 
3.676732 
1 1 1 3   3   8  o 204.0846 2.198638  8642.320       170.0267 8991.345       
321.7159 8507.051       200.2827 206.8882 3.703888 201.2810 2.370073 5.607239 
4.397275 
1 1 1 3   3   9  o 50.91893 2.191357  580.1125       42.41679 454.8127       
73.65313 642.2921       51.88468 46.53008 3.770323 55.30779 2.234467 -8.777710 
4.382713 
1 1 1 3   3   10 o 179.9241 2.182357  6775.066       164.4673 6466.578       
223.4700 7139.621       242.9304 175.4728 3.033405 184.3754 3.138340 -8.902557 
4.364714 
1 1 1 3   3   11 o 80.13618 1.920666  1345.488       64.52008 1247.043       
89.09129 1454.064       93.56322 77.06030 2.753757 83.21207 2.678181 -6.151772 
3.841332 
1 1 1 3   3   12 o 166.3758 2.473042  5810.808       172.6886 5980.290       
247.8792 5650.980       240.7155 168.7315 3.499169 164.0202 3.495650 4.711334 
4.946084 
1 1 1 3   3   13 o 242.4483 3.519096  12356.73       357.9064 12331.51       
516.5000 12380.03       496.4097 242.2035 5.079383 242.6930 4.871964 
-0.4895172     7.038193 
1 1 1 3   3   14 o 299.9280 2.741762  18864.87       344.8706 18172.58       
474.4122 19640.69       502.2160 294.1057 3.842142 305.7503 3.912413 -11.64459 
5.483523 
1 1 1 3   3   15 o 147.5962 2.337369  4578.525       144.7562 4452.039       
206.1420 4701.573       203.3194 145.5820 3.372717 149.6103 3.236968 -4.028275 
4.674738 
1 1 1 3   3   16 o 438.3591 6.897713  40252.57       1217.289 41746.94       
2050.878 39439.75       1512.535 444.2282 10.99651 432.4900 8.330102 11.73825 
13.79543 
1 1 1 3   3   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   3   18 o 211.3573 2.457261  9399.037       217.1241 9523.639       
294.9189 9251.573       320.8351 212.8995 3.299507 209.8151 3.642220 3.084381 
4.914521 
1 1 1 3   3   19 o 99.92371 2.170987  2081.449       90.36530 2225.733       
138.3595 1974.119       119.3327 102.9153 3.202213 96.93211 2.932331 5.983208 
4.341973 
1 1 1 3   3   20 o 185.2105 2.498591  7105.758       180.1489 7496.261       
326.2170 6934.414       216.0869 188.7636 4.116322 181.6574 2.833325 7.106247 
4.997183 
1 1 1 3   3   21 o 156.5724 2.839706  5140.712       182.8295 5253.637       
290.8627 5066.951       235.0755 157.9484 4.386255 155.1964 3.607837 2.751999 
5.679412 
1 1 1 3   3   22 o 92.17331 2.035418  1781.008       77.84949 1822.008       
120.1965 1751.380       102.1770 93.07304 3.076018 91.27357 2.666425 1.799469 
4.070836 
1 1 1 3   3   23 o 134.9196 2.012743  3813.866       108.6258 3878.715       
184.8234 3779.644       134.2620 135.7514 3.242902 134.0879 2.384978 1.663467 
4.025485 
1 1 1 3   3   24 o 149.8961 2.405538  4731.853       150.0950 4729.997       
227.5566 4733.281       199.6949 149.8391 3.617308 149.9533 3.171992 
-0.1142120     4.811076 
1 1 1 3   3   25 o 101.8644 2.273134  2185.887       97.08561 2148.535       
140.2511 2220.253       134.5273 101.0200 3.306892 102.7088 3.119779 -1.688789 
4.546268 
1 1 1 3   3   26 o 53.32719 4.210697  565.9062       88.26251 710.1719       
162.0324 505.0389       105.2477 57.79105 6.678245 48.86333 5.130393 8.927719 
8.421394 
1 1 1 3   3   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   3   28 o 44.13990 5.967629  446.4974       92.26357 399.0710       
186.7023 461.8216       106.1278 41.70199 10.62998 46.57782 5.427143 -4.875824 
11.93526 
1 1 1 3   3   29 o 54.92439 4.694558  624.0138       95.25134 705.4163       
190.6536 596.9368       109.9578 56.90528 7.980196 52.94349 4.946915 3.961784 
9.389115 
1 1 1 3   3   30 o 31.14359 6.249828  235.2214       90.75444 102.4540       
154.8636 304.6673       112.0023 25.56443 9.981681 36.72275 7.523792 -11.15832 
12.49966 
1 1 1 3   3   31 o 93.41156 3.644419  1841.987       130.6491 1969.594       
242.7357 1789.942       155.0190 95.19347 6.073621 91.62966 4.029675 3.563805 
7.288837 
1 1 1 3   3   32 o 55.06210 4.474564  645.2504       96.95882 733.9893       
174.1332 605.3757       116.7277 57.31500 7.236595 52.80921 5.264842 4.505787 
8.949127 
1 1 1 3   3   33 o 21.34712 5.729506  78.36427       77.96052 -87.43871      
149.6434 140.1298       91.33446 18.04410 8.347964 24.65014 7.849868 -6.606031 
11.45901 
1 1 1 3   3   34 o 54.40986 4.888008  683.9961       109.9419 620.2291       
164.7620 735.1782       147.6107 51.63195 7.600806 57.18777 6.148026 -5.555824 
9.776016 
1 1 1 3   3   35 f 21.86286 6.887444  12.76899       111.1904 82.85671       
223.1549 -10.37833      128.2436 25.36761 11.08221 18.35810 8.181200 7.009510 
13.77489 
1 1 1 3   3   36 o 33.09567 8.465774  254.5973       126.4373 550.7299       
285.6595 182.4477       141.0011 39.60688 13.87487 26.58446 9.703879 13.02241 
16.93155 
1 1 1 3   3   37 o 22.32756 6.960060  80.85475       114.3495 68.79286       
240.9489 84.36112       129.9112 23.62065 10.79127 21.03447 8.793075 2.586176 
13.92012 
1 1 1 3   3   38 o 20.67340 6.682128  28.59155       111.5223 163.9423       
224.9125 -15.53582      128.4214 24.34246 10.84165 17.00434 7.814218 7.338123 
13.36426 
1 1 1 3   4   0  o 213.9075 2.245469  9614.190       201.3857 9525.322       
291.7425 9695.077       278.3350 212.9598 3.263044 214.8553 3.085623 -1.895416 
4.490939 
1 1 1 3   4   1  o 102.7188 1.983088  2208.428       83.86871 2179.076       
108.1293 2252.753       132.8754 101.8688 2.528269 103.5688 3.055882 -1.700073 
3.966177 
1 1 1 3   4   2  o 327.2972 4.862806  22458.83       661.5768 21977.08       
871.8624 23112.72       1015.758 323.2249 6.424869 331.3696 7.301272 -8.144775 
9.725612 
1 1 1 3   4   3  o 298.3842 4.297600  18608.72       411.9623 18905.66       
979.5271 18544.91       454.0736 299.6418 7.786373 297.1266 3.640037 2.515167 
8.595201 
1 1 1 3   4   4  o 181.2106 3.356815  6918.918       253.6591 7066.428       
341.5856 6737.572       378.7411 183.3826 4.436725 179.0387 5.038679 4.343918 
6.713629 
1 1 1 3   4   5  o 109.3202 2.308278  2544.917       103.4771 2331.548       
160.9833 2695.143       135.0789 105.3541 3.639574 113.2863 2.840086 -7.932205 
4.616556 
1 1 1 3   4   6  o 386.5277 6.654535  31320.33       971.1716 31925.16       
1838.309 31086.17       1143.820 388.7257 11.26409 384.3297 7.088830 4.395966 
13.30907 
1 1 1 3   4   7  o 131.3132 1.851821  3520.943       97.38905 3948.498       
168.7797 3307.533       119.2425 137.1186 2.931871 125.5079 2.262983 11.61073 
3.703642 
1 1 1 3   4   8  o 134.3861 1.795766  3791.658       101.2561 3809.781       
145.9123 3774.824       140.6292 134.6951 2.580247 134.0771 2.498284 0.6179504 
3.591531 
1 1 1 3   4   9  o 69.91282 1.658902  1024.930       48.63916 998.1012       
66.93661 1054.943       70.79800 68.94509 2.312498 70.88055 2.379113 -1.935455 
3.317804 
1 1 1 3   4   10 o 136.4569 2.079216  3910.366       119.1065 3900.250       
167.2287 3920.781       169.6820 136.2782 2.922844 136.6357 2.957964 
-0.3574829     4.158433 
1 1 1 3   4   11 o 87.72713 1.854372  1616.445       68.24013 1607.803       
98.42005 1624.445       94.69966 87.50060 2.679129 87.95365 2.564576 
-0.4530487     3.708744 
1 1 1 3   4   12 o 73.64995 1.838896  1136.509       56.78857 1064.172       
78.36525 1216.505       82.40964 71.18733 2.622055 76.11257 2.578948 -4.925240 
3.677791 
1 1 1 3   4   13 o 234.8890 2.960533  11530.86       289.7416 12075.93       
441.7591 11119.37       383.8329 239.7234 4.389307 230.0546 3.974041 9.668869 
5.921066 
1 1 1 3   4   14 f 181.9704 2.160448  6955.021       165.0423 6917.619       
234.3550 6991.824       232.4667 181.4844 3.075785 182.4565 3.034748 
-0.9720612     4.320897 
1 1 1 3   4   15 o 135.3756 1.729406  3845.829       98.20007 3791.710       
135.5788 3905.552       142.4258 134.3753 2.403220 136.3760 2.487550 -2.000671 
3.458811 
1 1 1 3   4   16 o 136.9056 2.018338  3925.490       115.6208 4065.247       
171.8473 3809.901       156.2835 139.1235 2.942139 134.6877 2.763798 4.435837 
4.036677 
1 1 1 3   4   17 o 234.3640 6.898995  11568.54       678.8215 0.000000       
0.000000 11568.54       678.8215 ?        ?        234.3640 6.898995 ? ? 
1 1 1 3   4   18 o 239.8052 3.550316  12021.42       346.8498 12404.29       
567.4203 11793.01       438.2636 242.7778 5.566944 236.8325 4.407732 5.945358 
7.100631 
1 1 1 3   4   19 o 115.7456 2.310646  2797.864       111.9359 2571.535       
151.4958 3069.981       166.1149 110.6225 3.261955 120.8686 3.273528 -10.24610 
4.621292 
1 1 1 3   4   20 o 160.3223 2.292550  5390.594       150.4783 5456.062       
241.8753 5349.254       192.2032 161.0923 3.576332 159.5523 2.869318 1.540024 
4.585099 
1 1 1 3   4   21 o 312.7303 5.119401  20675.78       656.3290 20794.78       
1049.036 20599.24       841.3353 313.1988 7.977950 312.2617 6.417582 0.9370728 
10.23880 
1 1 1 3   4   22 o 151.6942 2.625488  4841.486       167.1418 4652.286       
234.0114 5038.527       238.8100 148.6660 3.749266 154.7225 3.676378 -6.056427 
5.250976 
1 1 1 3   4   23 f 45.53147 2.904724  439.4509       55.15620 409.6473       
81.07360 465.1309       75.25616 44.07337 4.381515 46.98956 3.814712 -2.916191 
5.809449 
1 1 1 3   4   24 o 148.1164 2.192339  4620.110       136.1746 4681.317       
188.8711 4553.847       196.5163 149.1490 3.016243 147.0837 3.182402 2.065308 
4.384678 
1 1 1 3   4   25 f 132.9268 2.065964  3706.621       114.0215 3790.799       
175.6335 3645.298       149.9066 134.2063 3.117134 131.6473 2.712252 2.559021 
4.131928 
1 1 1 3   4   26 f 69.46327 2.427735  1012.145       70.59376 1068.015       
104.8043 965.7451       95.51093 71.20602 3.505771 67.72054 3.359338 3.485481 
4.855469 
1 1 1 3   4   27 o 77.26653 2.342870  1258.685       75.94611 1287.152       
106.2141 1228.905       108.6348 78.16752 3.236511 76.36552 3.388386 1.801994 
4.685740 
1 1 1 3   4   28 o 71.41104 3.689211  1089.385       102.6492 1066.792       
181.9786 1099.928       124.3141 70.70350 6.130564 72.11859 4.105765 -1.415092 
7.378423 
1 1 1 3   4   29 o 35.96009 4.737150  288.3844       69.03882 331.2798       
94.03671 238.2304       101.6821 39.37205 5.688929 32.54814 7.576175 6.823910 
9.474299 
1 1 1 3   4   30 o 97.22474 3.800209  1915.575       134.3959 2246.402       
277.8654 1814.548       153.5516 101.9742 6.490308 92.47530 3.955028 9.498886 
7.600417 
1 1 1 3   4   31 o 48.40464 5.001838  471.0398       93.29494 626.2562       
179.2277 413.3508       109.2654 53.11771 8.036867 43.69158 5.956702 9.426125 
10.00368 
1 1 1 3   4   32 o 30.22021 6.172926  228.9555       86.37485 108.5082       
154.6365 283.5763       104.1339 25.31714 9.953375 35.12328 7.304137 -9.806141 
12.34585 
1 1 1 3   4   33 o 100.8280 3.123288  2112.436       123.6728 2427.205       
223.8063 1974.069       148.3858 105.6124 5.047523 96.04360 3.679976 9.568832 
6.246576 
1 1 1 3   4   34 o 19.96531 6.267374  -19.45307      106.7983 38.16168       
150.4060 -78.04278      151.6733 21.66958 9.275200 18.26103 8.431523 3.408545 
12.53475 
1 1 1 3   4   35 o 69.85735 5.385474  1160.365       143.4509 1116.787       
258.4120 1179.776       172.4651 67.18266 9.161712 72.53204 5.663599 -5.349388 
10.77095 
1 1 1 3   4   36 f 24.75188 7.366310  107.8936       116.5625 159.9425       
232.5993 90.43917       134.6964 27.24239 11.59333 22.26137 9.090917 4.981020 
14.73262 
1 1 1 3   4   37 o 20.92135 6.707403  23.59062       120.3556 -79.76395      
241.3267 57.80856       138.8569 21.24262 10.06599 20.60007 8.867517 0.6425495 
13.41481 
1 1 1 3   4   38 o 32.85534 7.838529  247.0268       127.1013 755.0175       
254.0761 77.47158       146.7883 45.00046 12.82343 20.71021 9.018301 24.29025 
15.67706 
1 1 1 3   5   0  f 80.48409 1.766995  1358.438       59.65775 1403.010       
86.54314 1318.080       82.35049 81.74018 2.521843 79.22799 2.475761 2.512192 
3.533990 
1 1 1 3   5   1  o 258.0497 2.605211  13876.30       275.9850 13476.03       
352.5749 14509.59       443.4838 253.2999 3.315411 262.7995 4.019521 -9.499588 
5.210423 
1 1 1 3   5   2  o 94.38322 1.892781  1780.843       72.82420 2262.824       
122.2622 1515.815       90.66171 103.8040 2.805430 84.96249 2.541662 18.84148 
3.785563 
1 1 1 3   5   3  o 218.4488 3.450442  10082.16       299.7751 9863.279       
511.2848 10196.82       370.0553 216.5893 5.622727 220.3083 4.000892 -3.719055 
6.900884 
1 1 1 3   5   4  o 483.4083 4.119551  49118.62       835.5178 49675.80       
1206.564 48605.28       1158.125 486.0285 5.913024 480.7880 5.737504 5.240509 
8.239101 
1 1 1 3   5   5  o 162.7476 1.807228  5531.766       122.5691 5799.805       
186.7601 5328.968       162.4493 166.1893 2.676715 159.3059 2.428885 6.883392 
3.614455 
1 1 1 3   5   6  o 252.5973 2.578969  13369.77       272.1595 13083.26       
365.4533 13726.53       407.8029 249.5738 3.487819 255.6208 3.799926 -6.047028 
5.157938 
1 1 1 3   5   7  o 477.9240 4.469516  47915.27       876.7999 47435.25       
1124.585 48659.41       1400.200 474.9788 5.639480 480.8692 6.935600 -5.890350 
8.939032 
1 1 1 3   5   8  o 71.68774 1.653336  1072.725       49.59688 1159.678       
73.88762 1001.416       66.91131 74.31596 2.368158 69.05953 2.307794 5.256432 
3.306673 
1 1 1 3   5   9  o 152.8864 2.133588  4907.271       136.2961 4926.119       
203.0880 4891.825       183.8484 153.1500 3.158554 152.6228 2.869204 0.5272064 
4.267176 
1 1 1 3   5   10 f 92.63200 1.659193  1779.931       63.33590 1912.227       
101.1333 1694.562       81.24020 95.42759 2.524301 89.83641 2.153970 5.591179 
3.318385 
1 1 1 3   5   11 o 61.33992 1.772943  790.0596       45.65708 783.8356       
64.34439 796.3712       64.79569 61.09660 2.508503 61.58323 2.506136 
-0.4866295     3.545886 
1 1 1 3   5   12 o 271.9097 3.971105  15545.57       453.2807 15517.97       
636.0763 15574.05       646.1130 271.6676 5.576895 272.1517 5.654816 
-0.4841614     7.942210 
1 1 1 3   5   13 o 563.8962 5.165831  66925.81       1210.069 67045.25       
1851.229 66836.70       1598.947 564.2189 7.815083 563.5734 6.757789 0.6455078 
10.33166 
1 1 1 3   5   14 o 366.0007 4.733464  28138.63       720.1392 27832.87       
951.2653 28549.10       1102.181 363.7368 6.229246 368.2646 7.128760 -4.527802 
9.466928 
1 1 1 3   5   15 o 411.6625 5.994593  35659.75       1033.246 34908.43       
1404.112 36547.10       1525.940 406.9936 8.217418 416.3315 8.730099 -9.337952 
11.98919 
1 1 1 3   5   16 o 313.7595 4.567396  20493.88       571.7747 21437.07       
984.5871 20013.94       702.3400 319.0270 7.351022 308.4919 5.422814 10.53510 
9.134792 
1 1 1 3   5   17 o 292.4424 5.362350  17438.07       601.4962 16641.70       
709.9914 19463.00       1132.136 281.2124 6.013670 303.6723 8.880030 -22.45987 
10.72470 
1 1 1 3   5   18 o 199.3717 2.862936  8164.571       215.3446 8788.419       
413.6276 7932.602       252.2232 204.4231 4.819485 194.3203 3.091632 10.10275 
5.725873 
1 1 1 3   5   19 o 105.5654 2.140019  2329.291       92.84826 2399.558       
148.2196 2283.911       119.1152 106.8601 3.303780 104.2706 2.720986 2.589447 
4.280038 
1 1 1 3   5   20 o 161.1387 2.242270  5439.501       151.3848 5192.907       
206.2029 5727.798       222.9583 157.1928 3.124519 165.0846 3.216904 -7.891739 
4.484539 
1 1 1 3   5   21 o 189.4543 2.346329  7577.262       183.9864 7358.118       
282.9343 7737.827       242.1845 187.0438 3.602993 191.8649 3.006574 -4.821136 
4.692658 
1 1 1 3   5   22 o 53.37011 2.657334  603.2258       58.75532 486.1474       
82.34640 724.6460       83.85941 48.04930 4.082052 58.69091 3.403314 -10.64161 
5.314668 
1 1 1 3   5   23 o 103.6094 2.335449  2246.843       100.2707 2333.595       
156.0970 2185.900       130.8331 105.2841 3.531448 101.9346 3.057150 3.349472 
4.670898 
1 1 1 3   5   24 o 62.18777 2.420244  813.8677       62.97696 820.4467       
93.12400 808.3231       85.49057 62.41159 3.554000 61.96395 3.286247 0.4476433 
4.840489 
1 1 1 3   5   25 o 139.4731 2.260294  4099.251       129.8967 4071.294       
203.9487 4118.333       168.4914 139.0351 3.493958 139.9112 2.868444 
-0.8761139     4.520587 
1 1 1 3   5   26 o 76.60974 2.350892  1235.469       75.35889 1239.282       
111.3022 1232.241       102.4006 76.70952 3.456014 76.50997 3.187906 0.1995468 
4.701784 
1 1 1 3   5   27 o 150.5959 2.578258  4745.074       161.3063 5018.705       
249.4965 4548.550       211.4410 154.2619 3.852359 146.9298 3.427680 7.332077 
5.156517 
1 1 1 3   5   28 o 149.6656 2.409904  4714.575       150.4853 4812.731       
226.7993 4637.372       201.1404 151.0181 3.577123 148.3131 3.230285 2.705002 
4.819808 
1 1 1 3   5   29 o 42.54073 4.338301  390.5835       72.35739 256.7111       
97.22590 556.7811       108.3299 33.92367 7.059994 51.15778 5.043800 -17.23410 
8.676602 
1 1 1 3   5   30 o 34.43562 6.523420  263.5902       90.88629 263.5902       
90.88629 0.000000       0.000000 34.43562 6.523420 ?        ?        ? ? 
1 1 1 3   5   31 o 75.66325 2.774201  1214.157       87.30164 1196.360       
115.4529 1237.921       133.4114 75.07825 3.662787 76.24825 4.167583 -1.169998 
5.548401 
1 1 1 3   5   32 o 78.16116 3.412003  1280.418       100.9353 1394.236       
192.7774 1237.432       118.4723 80.10133 5.732413 76.22099 3.702229 3.880341 
6.824006 
1 1 1 3   5   33 o 27.17235 5.951369  182.7096       80.75115 46.10524       
150.3502 238.0900       95.73038 22.36333 9.409560 31.98138 7.289400 -9.618053 
11.90274 
1 1 1 3   5   34 o 24.80375 7.299829  46.80293       112.9347 217.8011       
222.6387 -12.43990      131.0457 30.74237 11.97542 18.86514 8.351003 11.87723 
14.59966 
1 1 1 3   5   35 o 42.53135 7.330205  487.6248       123.6320 426.2544       
237.1794 510.5210       144.8703 38.25273 12.67230 46.80997 7.371603 -8.557247 
14.66041 
1 1 1 3   5   36 o 40.46551 7.635775  490.3759       134.3213 352.0273       
242.9301 551.2971       161.2049 34.02642 12.68825 46.90459 8.498733 -12.87817 
15.27155 
1 1 1 3   5   37 o 63.95440 5.890288  958.5104       140.5926 1213.324       
278.7836 871.6012       162.8126 66.98861 9.912595 60.92019 6.365725 6.068420 
11.78058 
1 1 1 3   5   38 f 22.26089 6.715633  99.55744       108.9819 167.0613       
171.6978 54.01154       141.0344 24.57090 10.17953 19.95087 8.762197 4.620022 
13.43127 
1 1 1 3   6   0  o 292.5361 1.747996  17967.79       214.6651 17825.54       
301.2026 18114.63       306.0192 291.3600 2.462351 293.7123 2.481691 -2.352325 
3.495992 
1 1 1 3   6   1  o 344.7861 2.923798  24977.22       423.2005 25072.05       
595.6699 24880.56       601.3624 345.4490 4.107171 344.1233 4.162395 1.325745 
5.847596 
1 1 1 3   6   2  f 55.92229 1.609974  663.6440       35.50960 635.9898       
61.26068 677.6373       43.57715 55.03296 2.651429 56.81163 1.827017 -1.778675 
3.219949 
1 1 1 3   6   3  o 68.46626 1.700950  1014.854       47.28843 749.4172       
68.90771 1251.140       65.01389 59.73844 2.747483 77.19408 2.006057 -17.45564 
3.401901 
1 1 1 3   6   4  o 184.2682 1.802117  7142.716       138.6106 7007.005       
206.4039 7254.193       187.0691 182.6677 2.691395 185.8688 2.397268 -3.201157 
3.604234 
1 1 1 3   6   5  o 412.4782 4.451592  35821.54       764.9401 35505.15       
1153.132 36070.18       1022.235 410.7970 6.686098 414.1595 5.879011 -3.362549 
8.903184 
1 1 1 3   6   6  o 266.9535 3.399254  14915.44       379.4110 14339.58       
510.0555 15628.79       567.6975 261.2189 4.650867 272.6881 4.958745 -11.46927 
6.798508 
1 1 1 3   6   7  o 323.7899 2.921746  21994.15       388.8143 21867.82       
500.4047 22186.61       617.6547 322.6466 3.694157 324.9331 4.527650 -2.286438 
5.843493 
1 1 1 3   6   8  o 174.9034 2.133374  6421.683       156.3425 6470.072       
228.8337 6379.324       214.1039 175.5186 3.105403 174.2881 2.926023 1.230423 
4.266748 
1 1 1 3   6   9  o 134.1800 1.524979  3760.339       84.65118 3894.612       
132.4977 3667.730       110.0367 136.1908 2.317297 132.1693 1.983024 4.021576 
3.049959 
1 1 1 3   6   10 o 147.6909 2.056408  4580.415       127.4740 4563.148       
178.0371 4598.579       182.6004 147.4060 2.876845 147.9758 2.939220 
-0.5698090     4.112815 
1 1 1 3   6   11 o 157.4045 2.071275  5205.237       136.7192 5160.441       
197.7164 5246.283       189.2610 156.7534 3.004323 158.0555 2.852152 -1.302032 
4.142550 
1 1 1 3   6   12 o 327.3746 2.840876  22404.55       382.2121 23057.37       
610.1281 21982.88       490.3517 331.2534 4.387143 323.4959 3.610439 7.757507 
5.681751 
1 1 1 3   6   13 o 275.1770 2.855888  15703.68       314.4224 15252.73       
386.9471 16580.10       539.4468 269.4714 3.420267 280.8826 4.574512 -11.41119 
5.711776 
1 1 1 3   6   14 o 192.4687 1.960820  7778.341       158.3885 7736.058       
220.8107 7823.155       227.3214 191.9309 2.740288 193.0064 2.805367 -1.075455 
3.921640 
1 1 1 3   6   15 o 578.7488 4.871063  70194.18       1139.164 69372.74       
1424.917 71649.06       1896.330 574.2877 5.909915 583.2098 7.744800 -8.922180 
9.742126 
1 1 1 3   6   16 o 254.9351 4.115829  13308.81       334.2401 14234.57       
813.4383 13120.76       366.6194 259.9562 7.453246 249.9140 3.494186 10.04228 
8.231659 
1 1 1 3   6   17 f 130.0494 2.269258  3559.904       122.4906 3504.506       
187.1638 3601.408       162.0033 129.1555 3.451676 130.9433 2.946873 -1.787842 
4.538517 
1 1 1 3   6   18 o 214.1938 2.136502  9252.847       172.4381 8802.414       
200.9471 10511.07       335.8506 204.7310 2.337864 223.6566 3.576724 -18.92561 
4.273004 
1 1 1 3   6   19 o 313.5523 4.716959  20779.53       618.7542 19917.60       
902.2332 21544.88       850.1856 307.3331 6.992467 319.7715 6.332790 -12.43832 
9.433919 
1 1 1 3   6   20 o 94.07878 2.111144  1855.355       83.28386 1761.660       
114.4914 1960.650       121.3719 91.56255 2.978352 96.59500 2.992847 -5.032448 
4.222288 
1 1 1 3   6   21 o 130.7354 2.371744  3515.463       124.0361 3847.120       
214.4887 3348.825       152.0361 135.2394 3.777655 126.2315 2.868798 9.007866 
4.743488 
1 1 1 3   6   22 o 56.55394 2.527888  665.5859       59.68561 764.0212       
89.77641 587.6163       79.90051 60.26122 3.548505 52.84665 3.601249 7.414574 
5.055777 
1 1 1 3   6   23 o 54.62987 2.597344  630.3011       59.34613 601.0411       
86.52378 656.2957       81.55283 53.42047 3.857881 55.83927 3.478727 -2.418800 
5.194689 
1 1 1 3   6   24 o 104.6001 2.107197  2268.239       89.78541 2439.029       
148.2130 2169.229       112.8485 107.6390 3.279727 101.5612 2.646604 6.077789 
4.214395 
1 1 1 3   6   25 o 53.29847 2.770576  602.3286       61.57288 528.3453       
87.88113 673.6652       86.29495 50.04932 4.182332 56.54762 3.634897 -6.498306 
5.541153 
1 1 1 3   6   26 o 213.3345 3.264980  9586.317       289.7617 9444.766       
383.4061 9774.852       442.4837 211.5799 4.316240 215.0891 4.900045 -3.509109 
6.529960 
1 1 1 3   6   27 o 124.8507 2.096418  3285.460       109.7258 3159.306       
157.4376 3404.615       153.0086 122.5060 3.061063 127.1954 2.865269 -4.689430 
4.192836 
1 1 1 3   6   28 o 83.65445 2.210016  1474.254       77.59566 1487.927       
111.2899 1461.318       108.2470 84.02885 3.154630 83.28004 3.095966 0.7488098 
4.420033 
1 1 1 3   6   29 o 61.68034 2.559677  805.4172       65.94308 705.5162       
92.51062 908.6110       94.02298 57.76220 3.814775 65.59850 3.413982 -7.836300 
5.119354 
1 1 1 3   6   30 o 43.15257 4.190119  398.0912       70.69377 259.1976       
93.80533 580.6707       107.5505 34.09868 6.793417 52.20647 4.906920 -18.10778 
8.380238 
1 1 1 3   6   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   6   32 o 33.77589 4.647284  256.9378       63.32450 262.4617       
93.80793 252.3134       85.83147 34.04370 6.803908 33.50808 6.332125 0.5356255 
9.294567 
1 1 1 3   6   33 f 64.20612 2.787484  882.9211       75.08989 894.2726       
104.7419 870.9178       107.7064 64.65710 3.858561 63.75513 4.023901 0.9019737 
5.574969 
1 1 1 3   6   34 o 74.86121 3.803921  1233.226       119.1334 1343.435       
168.1383 1122.117       168.8238 78.38905 5.108958 71.33338 5.637180 7.055664 
7.607841 
1 1 1 3   6   35 o 40.30618 7.654091  447.9585       130.3291 375.2140       
231.7029 481.6259       157.6291 36.41602 12.52082 44.19634 8.807350 -7.780319 
15.30818 
1 1 1 3   6   36 o 38.94508 7.864145  401.4263       124.6939 494.2473       
238.9997 366.7101       146.1641 40.33441 12.67999 37.55576 9.305748 2.778652 
15.72829 
1 1 1 3   6   37 o 25.01861 6.551332  120.7909       118.2249 -227.6895      
209.2975 284.0838       143.2711 17.96753 8.736290 32.06969 9.765092 -14.10216 
13.10266 
1 1 1 3   6   38 o 31.50126 6.248643  285.5606       116.0647 -29.82235      
179.3150 512.9631       152.2633 19.41426 9.041642 43.58826 8.627334 -24.17400 
12.49729 
1 1 1 3   7   0  o 555.7345 3.547297  64872.76       827.6443 64872.76       
827.6443 0.000000       0.000000 555.7345 3.547297 ?        ?        ? ? 
1 1 1 3   7   1  o 83.27922 1.542129  1484.959       50.73075 1368.955       
86.31573 1546.177       62.70381 80.74178 2.546318 85.81665 1.740377 -5.074867 
3.084258 
1 1 1 3   7   2  o 136.9305 1.744390  3851.115       90.65529 4137.914       
172.3648 3741.441       106.5886 140.3691 2.924813 133.4919 1.901853 6.877197 
3.488779 
1 1 1 3   7   3  o 148.0569 1.478123  4600.074       91.75668 4649.752       
133.5755 4555.689       126.2604 148.8126 2.138001 147.3013 2.041652 1.511383 
2.956246 
1 1 1 3   7   4  o 118.6227 1.486274  2953.788       74.01058 2900.219       
103.7643 3009.263       105.5932 117.5282 2.102941 119.7173 2.100875 -2.189102 
2.972548 
1 1 1 3   7   5  o 63.61902 1.511713  821.6113       39.56087 994.7721       
64.32487 716.2687       50.17143 68.83074 2.225960 58.40730 2.046023 10.42344 
3.023427 
1 1 1 3   7   6  o 327.3969 4.175921  22538.94       573.9528 22696.22       
817.4500 22386.00       806.0536 328.5212 5.926780 326.2725 5.884432 2.248749 
8.351842 
1 1 1 3   7   7  o 403.8897 5.083553  34308.23       859.6094 34001.92       
1170.375 34667.03       1266.670 401.9706 6.935085 405.8088 7.434691 -3.838196 
10.16711 
1 1 1 3   7   8  o 197.9574 2.722757  8160.958       222.6153 8617.911       
351.7296 7855.583       287.5348 202.5286 4.136601 193.3862 3.541491 9.142441 
5.445515 
1 1 1 3   7   9  o 141.6869 2.258247  4198.889       133.8537 4022.843       
180.4256 4414.390       199.6222 138.3995 3.105165 144.9743 3.279736 -6.574768 
4.516494 
1 1 1 3   7   10 o 145.6895 1.867157  4457.972       114.1825 4363.145       
161.7114 4552.255       161.2466 144.1435 2.672185 147.2355 2.608550 -3.091919 
3.734315 
1 1 1 3   7   11 o 287.9116 1.980192  17256.15       227.7440 17896.45       
390.4832 16926.05       280.3685 291.9067 3.186246 283.9165 2.352120 7.990173 
3.960383 
1 1 1 3   7   12 o 291.3642 2.928154  17837.83       357.9024 17808.15       
516.3136 17865.29       496.5647 291.1255 4.224296 291.6029 4.056067 
-0.4773865     5.856309 
1 1 1 3   7   13 o 436.0659 5.962784  40022.97       1088.996 39426.70       
1484.289 40718.14       1602.658 432.6029 8.172410 439.5288 8.685096 -6.925873 
11.92557 
1 1 1 3   7   14 o 149.0139 1.750252  4609.993       107.5907 4395.571       
138.3572 4938.010       171.1259 144.6840 2.277730 153.3438 2.658096 -8.659775 
3.500504 
1 1 1 3   7   15 o 154.8097 2.604874  5032.854       168.4843 5055.278       
251.1801 5014.511       227.1704 155.1172 3.856972 154.5022 3.502177 0.6149902 
5.209748 
1 1 1 3   7   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   7   17 o 200.1458 3.097053  8446.882       252.4818 8307.309       
408.4250 8533.209       321.2100 198.7710 4.894186 201.5206 3.796563 -2.749603 
6.194106 
1 1 1 3   7   18 o 188.1698 3.174891  7409.933       247.7826 7660.691       
384.1140 7231.219       324.2724 190.8631 4.793572 185.4765 4.164302 5.386642 
6.349783 
1 1 1 3   7   19 o 97.11282 1.999986  1966.184       80.41796 2068.769       
125.8885 1895.464       104.5244 99.23156 3.021743 94.99408 2.620849 4.237480 
3.999972 
1 1 1 3   7   20 o 173.4448 2.730922  6321.157       198.2815 6380.952       
292.4022 6270.252       269.7861 174.1933 3.998253 172.6962 3.720984 1.497025 
5.461844 
1 1 1 3   7   21 o 166.6833 2.246613  5835.645       155.5467 5872.928       
238.3114 5807.973       205.3114 167.1301 3.396340 166.2366 2.941762 0.8935547 
4.493227 
1 1 1 3   7   22 o 130.9918 2.334713  3603.002       125.8119 3637.779       
199.3334 3579.975       162.2020 131.4919 3.610789 130.4917 2.960700 1.000229 
4.669426 
1 1 1 3   7   23 o 60.55318 2.397432  770.2008       60.72537 787.6801       
90.24443 755.7375       82.09077 61.17427 3.513765 59.93209 3.262541 1.242180 
4.794864 
1 1 1 3   7   24 o 58.16143 2.537243  716.4641       61.54574 629.2886       
87.78009 800.7557       86.31601 54.64877 3.825927 61.67409 3.333571 -7.025318 
5.074486 
1 1 1 3   7   25 o 150.8404 2.468478  4750.250       153.7780 4570.736       
198.5927 5019.075       243.0231 147.3513 3.210187 154.3295 3.750763 -6.978149 
4.936955 
1 1 1 3   7   26 f 93.35379 2.203795  1828.565       86.23911 1711.436       
118.3305 1961.256       125.9465 90.17440 3.125607 96.53317 3.107640 -6.358772 
4.407589 
1 1 1 3   7   27 o 36.29464 3.830677  278.6703       58.13138 314.1623       
83.78782 245.7311       80.71844 38.53429 5.179104 34.05499 5.645638 4.479298 
7.661355 
1 1 1 3   7   28 o 258.6803 2.514927  14122.58       272.9226 13761.41       
390.2675 14468.27       381.8131 255.4127 3.639493 261.9479 3.471818 -6.535141 
5.029854 
1 1 1 3   7   29 o 161.2708 2.642793  5488.793       178.3279 5408.686       
241.6300 5584.620       264.2762 160.0200 3.596646 162.5215 3.873185 -2.501495 
5.285586 
1 1 1 3   7   30 o 82.33528 2.189663  1434.843       75.48535 1334.586       
107.8688 1531.054       105.6700 79.48866 3.232301 85.18190 2.954781 -5.693237 
4.379326 
1 1 1 3   7   31 o 55.91210 2.794437  663.2909       65.44400 603.4085       
91.12833 727.0667       94.04412 53.28828 4.073266 58.53592 3.826751 -5.247639 
5.588875 
1 1 1 3   7   32 o 80.79933 3.285568  1384.559       111.4544 0.000000       
0.000000 1384.559       111.4544 ?        ?        80.79933 3.285568 ? ? 
1 1 1 3   7   33 o 87.09190 2.625932  1620.604       95.91174 1682.321       
134.4928 1556.735       136.8164 88.82173 3.606624 85.36208 3.817634 3.459648 
5.251863 
1 1 1 3   7   34 o 47.11951 4.870422  496.9772       96.07193 549.6010       
141.5366 452.0159       130.8270 49.45262 6.817114 44.78641 6.957802 4.666214 
9.740845 
1 1 1 3   7   35 o 37.14416 6.294947  345.6250       98.11783 418.4554       
137.5029 270.0699       140.0514 41.65502 8.153348 32.63329 9.593142 9.021732 
12.58989 
1 1 1 3   7   36 o 26.19510 7.534069  134.0564       116.2400 181.5652       
234.2701 118.5400       133.8831 28.57620 11.86791 23.81401 9.284480 4.762192 
15.06814 
1 1 1 3   7   37 o 17.98110 5.850127  -99.23884      114.3262 -475.5698      
215.5910 47.99176       134.8480 15.47632 7.738160 20.48588 8.775923 -5.009558 
11.70025 
1 1 1 3   7   38 o 27.78106 5.387840  64.77822       106.3699 -359.9558      
150.4577 489.1961       150.4017 12.73213 6.402929 42.83000 8.667051 -30.09787 
10.77568 
1 1 1 3   7   39 o 17.27965 5.732612  -55.64141      108.0417 8.424311       
143.4047 -139.7448      164.3075 18.39644 8.379936 16.16286 7.824835 2.233583 
11.46522 
1 1 1 3   8   0  o 119.5297 1.418668  2874.609       53.59225 3192.677       
132.9790 2812.931       58.55833 123.3047 2.568766 115.7548 1.204955 7.549934 
2.837336 
1 1 1 3   8   1  o 202.3406 1.246188  8576.420       105.6565 8305.813       
144.1389 8890.676       155.3294 198.8994 1.726111 205.7818 1.797909 -6.882416 
2.492376 
1 1 1 3   8   2  o 269.6454 1.950324  15233.48       214.9860 15115.68       
273.8741 15422.61       347.0205 268.3020 2.431353 270.9888 3.050176 -2.686768 
3.900648 
1 1 1 3   8   3  o 68.01189 1.330471  967.5609       37.84752 1011.000       
56.47624 932.1486       50.99188 69.39201 1.938552 66.63176 1.822808 2.760254 
2.660942 
1 1 1 3   8   4  o 188.7546 2.255060  7489.560       177.4725 7425.119       
266.5261 7540.892       237.8781 188.0186 3.376447 189.4906 2.990114 -1.472015 
4.510119 
1 1 1 3   8   5  o 32.46945 1.840345  220.3845       25.01962 208.1801       
33.89403 234.9970       37.08739 31.48634 2.564024 33.45256 2.640694 -1.966219 
3.680691 
1 1 1 3   8   6  o 111.2772 1.529235  2593.238       71.34962 2458.336       
97.97983 2745.535       104.1058 108.2043 2.156816 114.3502 2.168499 -6.145851 
3.058471 
1 1 1 3   8   7  o 98.22282 1.535443  2014.864       62.53313 1959.693       
81.71483 2092.836       97.14326 96.61051 2.014641 99.83514 2.317663 -3.224632 
3.070886 
1 1 1 3   8   8  o 77.10698 1.501300  1246.432       48.53752 1212.913       
66.64198 1284.300       70.83456 76.00494 2.088465 78.20901 2.157295 -2.204079 
3.002600 
1 1 1 3   8   9  o 62.63693 1.674552  822.5572       43.99340 874.3886       
63.51833 774.7687       60.99075 64.53069 2.344520 60.74318 2.391594 3.787502 
3.349104 
1 1 1 3   8   10 o 149.6864 1.771531  4696.261       110.8634 4796.709       
165.2637 4614.073       149.4894 151.1370 2.604521 148.2357 2.402031 2.901337 
3.543061 
1 1 1 3   8   11 o 232.2529 2.591698  11272.86       247.7808 11622.68       
393.7464 11043.50       318.8243 235.2057 3.987400 229.3000 3.311833 5.905685 
5.183396 
1 1 1 3   8   12 o 110.8010 1.630764  2564.688       75.40855 2464.798       
100.4867 2693.457       114.0918 108.3453 2.209123 113.2568 2.399447 -4.911499 
3.261529 
1 1 1 3   8   13 o 135.8309 2.296266  3833.292       129.0878 4115.918       
203.1108 3641.770       167.2000 139.9807 3.456098 131.6812 3.024359 8.299408 
4.592533 
1 1 1 3   8   14 o 273.6920 2.087264  15722.43       239.6955 15470.20       
332.2765 15996.10       346.1076 271.4063 2.916088 275.9777 2.987158 -4.571350 
4.174528 
1 1 1 3   8   15 o 94.42639 1.962039  1872.680       77.71227 1769.351       
109.2128 1978.658       110.6039 91.78680 2.834094 97.06599 2.714092 -5.279182 
3.924077 
1 1 1 3   8   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   8   17 o 79.87271 2.054909  1341.652       68.20062 1328.060       
103.9070 1351.940       90.39827 79.51346 3.112614 80.23196 2.683699 
-0.7185059     4.109818 
1 1 1 3   8   18 f 273.8528 3.578282  15736.31       410.3820 15269.25       
557.7454 16287.67       605.9869 269.4465 4.930426 278.2590 5.187224 -8.812531 
7.156563 
1 1 1 3   8   19 o 293.8508 3.654674  18142.22       448.1941 18424.35       
673.8348 17918.38       600.2178 295.8598 5.424860 291.8417 4.898720 4.018158 
7.309347 
1 1 1 3   8   20 o 212.7449 2.261196  9473.619       191.4621 9631.157       
329.2361 9393.119       235.3498 214.0381 3.663847 211.4516 2.651086 2.586548 
4.522392 
1 1 1 3   8   21 o 289.8981 3.888261  17702.35       471.7815 17874.61       
696.5410 17556.33       641.2792 291.1559 5.698259 288.6404 5.291894 2.515472 
7.776523 
1 1 1 3   8   22 o 239.5296 3.377738  12098.13       338.9099 11986.02       
494.9596 12197.10       465.0219 238.4507 4.944157 240.6084 4.603453 -2.157700 
6.755476 
1 1 1 3   8   23 o 192.8927 2.554900  7819.315       205.8481 7707.589       
276.5533 7958.117       308.2448 191.3750 3.442030 194.4103 3.776571 -3.035248 
5.109800 
1 1 1 3   8   24 o 140.9785 2.502425  4184.005       148.0857 4263.460       
211.8972 4108.153       207.0371 142.2852 3.547206 139.6717 3.530700 2.613510 
5.004849 
1 1 1 3   8   25 o 130.7946 1.925918  3569.292       105.2717 3299.675       
140.8808 3910.175       158.4094 125.2513 2.679111 136.3378 2.767489 -11.08644 
3.851835 
1 1 1 3   8   26 o 160.6823 2.419598  5376.933       159.5226 5713.347       
257.5428 5167.521       203.1945 164.6682 3.725295 156.6963 3.088688 7.971893 
4.839196 
1 1 1 3   8   27 o 138.0449 2.085298  4009.871       120.8395 3984.242       
169.2947 4036.490       172.5373 137.5975 2.930582 138.4924 2.967415 
-0.8949280     4.170595 
1 1 1 3   8   28 o 69.83018 2.382496  1027.259       69.81211 1042.678       
100.6398 1012.958       96.92349 70.33173 3.408314 69.32864 3.329948 1.003090 
4.764993 
1 1 1 3   8   29 o 206.4987 3.274724  9019.073       283.3299 8726.271       
386.2966 9359.975       416.8200 202.9220 4.534326 210.0754 4.726007 -7.153381 
6.549447 
1 1 1 3   8   30 o 77.72833 2.297585  1274.731       74.93321 1216.914       
104.3071 1336.393       107.7183 75.90528 3.273129 79.55138 3.225245 -3.646103 
4.595169 
1 1 1 3   8   31 o 60.79887 2.677430  779.2311       67.90242 663.7169       
92.54293 913.9502       99.94017 55.92092 3.941758 65.67682 3.624508 -9.755901 
5.354859 
1 1 1 3   8   32 o 42.95876 3.446447  404.4788       59.92541 283.4915       
84.67472 525.8819       84.82012 36.23972 5.565318 49.67779 4.066846 -13.43806 
6.892895 
1 1 1 3   8   33 o 64.38551 3.836906  894.3539       102.4278 864.1619       
133.7668 937.1470       159.2535 63.22814 5.039168 65.54288 5.787415 -2.314739 
7.673811 
1 1 1 3   8   34 o 70.87265 5.084651  1094.182       151.2930 1094.182       
151.2930 0.000000       0.000000 70.87265 5.084651 ?        ?        ? ? 
1 1 1 3   8   35 o 53.54478 4.824054  651.0928       106.3277 819.3981       
154.8469 500.9355       146.2605 60.50596 6.095726 46.58360 7.478509 13.92236 
9.648108 
1 1 1 3   8   36 o 25.06004 6.690553  141.0639       96.35097 132.8004       
136.4220 149.2885       136.1003 24.64740 9.426214 25.47267 9.497393 
-0.8252621     13.38111 
1 1 1 3   8   37 o 27.60723 6.582000  197.8599       92.37106 241.5615       
127.4021 149.4269       134.1215 30.22377 9.209504 24.99069 9.406165 5.233080 
13.16400 
1 1 1 3   8   38 o 36.83274 5.073099  336.5721       105.6342 -91.58143      
149.9366 758.5309       148.8480 16.94712 7.991994 56.71837 6.250869 -39.77125 
10.14620 
1 1 1 3   8   39 o 18.42993 5.900417  -24.44797      104.7998 -162.2275      
149.8603 107.4226       146.6116 15.08888 7.350124 21.77098 9.232301 -6.682094 
11.80083 
1 1 1 3   9   0  o 252.6783 1.775117  13254.68       138.5098 13632.29       
347.2990 13183.26       151.0419 254.7664 3.247001 250.5901 1.435670 4.176315 
3.550234 
1 1 1 3   9   1  o 306.6820 1.522529  19745.98       195.2722 19774.12       
289.2913 19722.43       264.6626 306.8795 2.245373 306.4845 2.056862 0.3950195 
3.045058 
1 1 1 3   9   2  o 138.5449 1.356259  4013.737       78.66804 4242.385       
116.6822 3823.189       106.5180 142.1471 1.955185 134.9426 1.880162 7.204498 
2.712518 
1 1 1 3   9   3  o 73.26369 1.386874  1126.999       42.64959 1125.448       
60.91661 1128.491       59.73209 73.21408 1.981811 73.31329 1.940645 
-0.9920502E-01 2.773748 
1 1 1 3   9   4  o 153.9768 1.829415  4992.178       117.9111 4746.227       
170.7144 5216.547       163.0522 150.3379 2.704723 157.6157 2.464043 -7.277863 
3.658829 
1 1 1 3   9   5  o 100.5020 1.408191  2088.192       58.72657 1921.386       
76.34540 2329.926       91.90655 95.66271 1.900909 105.3413 2.078112 -9.678551 
2.816381 
1 1 1 3   9   6  o 249.7938 2.957925  13110.26       307.2690 13112.03       
407.5055 13107.94       467.7941 249.8287 3.885189 249.7589 4.461231 
0.6973267E-01  5.915850 
1 1 1 3   9   7  o 334.1734 3.606688  23357.01       486.4370 23057.99       
607.2816 23892.35       812.5502 331.2635 4.366542 337.0834 5.741612 -5.819916 
7.213377 
1 1 1 3   9   8  o 192.1359 2.439240  7700.473       194.4980 8096.306       
301.8191 7419.349       254.3547 196.3220 3.661836 187.9499 3.223433 8.372070 
4.878480 
1 1 1 3   9   9  o 147.4857 1.730272  4563.799       107.0883 4445.021       
148.7068 4691.749       154.3419 145.4942 2.434479 149.4772 2.459405 -3.982925 
3.460544 
1 1 1 3   9   10 o 133.5991 2.101244  3746.371       117.6369 3782.108       
172.0804 3715.016       161.1814 134.1951 3.054328 133.0030 2.886519 1.192139 
4.202489 
1 1 1 3   9   11 o 436.8754 5.063644  39736.63       905.1894 38310.12       
1147.959 42081.62       1471.833 426.7393 6.407444 447.0114 7.842615 -20.27206 
10.12729 
1 1 1 3   9   12 o 145.8707 1.819378  4441.295       110.6648 4251.767       
146.8805 4690.147       168.3055 142.2951 2.458642 149.4463 2.682467 -7.151169 
3.638756 
1 1 1 3   9   13 o 526.3749 3.712587  57971.30       792.9474 57183.83       
997.1046 59326.16       1307.887 521.6336 4.552985 531.1163 5.865453 -9.482666 
7.425174 
1 1 1 3   9   14 o 433.3434 4.405312  39077.86       764.0814 40912.68       
1307.200 38125.64       941.7047 440.8503 7.062720 425.8364 5.267360 15.01398 
8.810624 
1 1 1 3   9   15 f 301.0642 3.657503  19174.34       450.7591 18514.05       
715.9786 19607.89       580.1700 296.6879 5.748060 305.4406 4.524282 -8.752655 
7.315007 
1 1 1 3   9   16 f 132.4122 1.945123  3675.705       105.9649 3714.832       
167.8916 3649.799       136.6125 132.9906 3.006969 131.8337 2.468227 1.156952 
3.890246 
1 1 1 3   9   17 o 64.29072 2.158638  875.4907       57.52969 816.2170       
86.86304 921.8077       76.78450 62.33220 3.319278 66.24924 2.760665 -3.917034 
4.317277 
1 1 1 3   9   18 o 85.59219 2.089026  1523.582       74.60686 1677.323       
113.4655 1406.487       99.02300 89.35661 3.024533 81.82777 2.882415 7.528847 
4.178051 
1 1 1 3   9   19 o 143.3658 2.206190  4318.444       132.4005 4319.319       
194.8605 4317.693       180.4536 143.3744 3.237228 143.3573 2.998242 
0.1705933E-01  4.412381 
1 1 1 3   9   20 o 50.25784 2.794109  533.7756       58.58249 503.1269       
86.33913 559.9242       79.74902 48.90847 4.204793 51.60722 3.680747 -2.698746 
5.588219 
1 1 1 3   9   21 o 180.5737 2.856203  6871.955       216.1326 6598.771       
311.1472 7126.674       300.4488 177.0849 4.185097 184.0625 3.888000 -6.977631 
5.712406 
1 1 1 3   9   22 o 98.31860 1.907817  2029.435       78.69804 1933.033       
109.3851 2132.879       113.3103 95.90002 2.716818 100.7372 2.679173 -4.837166 
3.815634 
1 1 1 3   9   23 o 264.8512 3.391396  14797.00       376.4216 14796.31       
517.0690 14797.78       549.0504 264.8835 4.649590 264.8189 4.938377 
0.6454468E-01  6.782791 
1 1 1 3   9   24 o 48.24873 2.780533  490.9512       56.22613 455.5512       
79.19783 526.9254       79.83755 46.48773 4.057850 50.00973 3.802540 -3.521999 
5.561066 
1 1 1 3   9   25 o 177.8241 2.011293  6649.722       150.1006 6755.386       
215.8407 6550.763       208.8791 179.1880 2.869098 176.4602 2.819482 2.727859 
4.022586 
1 1 1 3   9   26 o 41.91759 3.118183  372.2773       54.62120 391.4639       
75.02385 350.6364       79.67817 43.08413 4.147659 40.75106 4.657164 2.333073 
6.236365 
1 1 1 3   9   27 o 89.13336 2.289176  1666.702       85.50664 1800.219       
125.1875 1549.939       117.0696 92.46851 3.224691 85.79822 3.250026 6.670296 
4.578351 
1 1 1 3   9   28 o 144.3326 2.342046  4391.781       140.9908 4370.961       
211.5651 4408.415       189.1027 143.9928 3.499648 144.6724 3.113387 
-0.6796265     4.684092 
1 1 1 3   9   29 o 86.47957 1.999763  1563.483       71.93716 1491.918       
94.60751 1661.571       110.7603 84.16780 2.677323 88.79134 2.971220 -4.623543 
3.999525 
1 1 1 3   9   30 o 110.3992 2.320325  2573.525       107.5366 2615.788       
153.1936 2532.470       150.9899 111.2932 3.278634 109.5053 3.284233 1.787933 
4.640650 
1 1 1 3   9   31 o 88.78178 2.304016  1664.927       85.80612 1709.776       
124.4899 1624.335       118.4329 89.91163 3.297913 87.65193 3.218341 2.259697 
4.608031 
1 1 1 3   9   32 o 50.73271 2.835749  540.9735       59.79227 662.0288       
89.79732 444.5511       80.14207 55.79746 3.833275 45.66796 4.179940 10.12950 
5.671498 
1 1 1 3   9   33 o 57.00140 4.361901  709.3016       102.8227 881.5318       
150.4807 558.4639       140.8255 63.67220 5.629269 50.33061 6.664537 13.34159 
8.723803 
1 1 1 3   9   34 f 26.49797 6.462800  154.4703       86.97665 190.5378       
132.7922 127.3720       115.1028 28.51087 9.482068 24.48507 8.784162 4.025799 
12.92560 
1 1 1 3   9   35 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   9   36 o 29.68473 6.702416  224.5296       94.32539 237.0606       
133.2338 211.9373       133.5593 30.42792 9.447776 28.94154 9.509418 1.486382 
13.40483 
1 1 1 3   9   37 o 30.17251 6.489871  233.2218       89.99984 184.2199       
119.8819 296.5081       136.2393 26.88173 9.009356 33.46330 9.343723 -6.581570 
12.97974 
1 1 1 3   9   38 o 20.71991 5.984056  73.59728       86.26567 125.6461       
111.7425 -3.184677      135.7196 22.91954 8.593698 18.52028 8.329711 4.399263 
11.96811 
1 1 1 3   9   39 o 40.96487 5.588696  408.2199       94.59523 198.3460       
119.0348 767.9202       155.8351 26.18858 8.977282 55.74117 6.659018 -29.55258 
11.17739 
1 1 1 3   10  0  o 13.85770 2.311923  42.05372       13.32652 33.58123       
18.80993 50.59249       18.88336 12.46455 3.469085 15.25085 3.057025 -2.786299 
4.623846 
1 1 1 3   10  1  o 279.0134 1.657233  16150.15       174.7330 15902.87       
205.4726 16796.13       332.1010 275.2185 1.778268 282.8083 2.797042 -7.589783 
3.314466 
1 1 1 3   10  2  o 205.4362 1.552042  8886.131       133.2700 9160.981       
181.8347 8567.135       195.8942 208.8807 2.073478 201.9917 2.309985 6.889023 
3.104085 
1 1 1 3   10  3  o 183.6209 1.682587  7001.617       113.0514 6922.084       
130.6045 7239.285       225.7713 181.5771 1.713239 185.6648 2.896412 -4.087662 
3.365173 
1 1 1 3   10  4  o 18.29759 2.783883  73.14697       20.79859 64.01590       
29.29979 82.42136       29.52884 17.11194 4.121380 19.48323 3.743561 -2.371292 
5.567767 
1 1 1 3   10  5  o 354.4305 2.927884  26379.57       421.7849 26448.41       
689.4038 26338.39       533.2274 354.7609 4.628700 354.1002 3.586802 0.6606750 
5.855767 
1 1 1 3   10  6  f 282.8008 3.016862  16799.88       357.0077 16751.42       
485.2151 16857.07       527.1594 282.3669 4.092999 283.2347 4.433192 
-0.8677979     6.033724 
1 1 1 3   10  7  o 199.4814 2.361493  8381.567       196.6805 8113.793       
291.3075 8605.889       266.6251 196.5385 3.530410 202.4244 3.137323 -5.885925 
4.722985 
1 1 1 3   10  8  o 152.4260 1.937278  4880.190       123.9137 4839.690       
177.6165 4918.593       172.9571 151.8087 2.786812 153.0433 2.691815 -1.234558 
3.874556 
1 1 1 3   10  9  o 228.9289 2.949211  11008.89       281.5076 11033.22       
423.8970 10989.70       376.5238 229.1430 4.406307 228.7148 3.921203 0.4282837 
5.898421 
1 1 1 3   10  10 o 141.7643 1.934598  4151.735       112.1739 4516.467       
183.5718 3934.388       141.7084 146.6471 2.981629 136.8815 2.465881 9.765610 
3.869196 
1 1 1 3   10  11 o 412.1853 5.099336  35710.54       881.2917 34793.70       
1210.087 36746.10       1286.047 406.5789 7.089128 417.7917 7.331929 -11.21277 
10.19867 
1 1 1 3   10  12 o 246.5400 2.423221  12594.78       239.0631 12216.50       
294.1750 13330.41       410.2372 241.1846 2.905209 251.8953 3.879145 -10.71074 
4.846442 
1 1 1 3   10  13 o 130.5467 2.113770  3571.558       115.3464 3659.095       
172.2310 3500.363       155.3248 131.9914 3.108041 129.1020 2.865688 2.889450 
4.227539 
1 1 1 3   10  14 o 120.0360 1.866425  3016.086       92.30772 3075.953       
145.9184 2976.145       119.1867 121.0214 2.871898 119.0505 2.384611 1.970848 
3.732849 
1 1 1 3   10  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   10  16 o 358.9590 5.151406  26968.21       759.3420 27957.38       
1216.741 26337.17       971.8191 364.1976 7.957600 353.7204 6.544047 10.47726 
10.30281 
1 1 1 3   10  17 o 108.4662 2.130416  2470.616       96.78146 2480.403       
142.0098 2462.128       132.2501 108.6644 3.112807 108.2680 2.909489 0.3963547 
4.260833 
1 1 1 3   10  18 o 121.0941 2.039953  3082.215       101.5018 3070.795       
160.8628 3089.770       130.8357 120.8991 3.169229 121.2891 2.569364 
-0.3899612     4.079907 
1 1 1 3   10  19 o 408.8377 4.173063  35107.84       703.8019 35716.51       
1107.510 34695.53       911.5231 411.6808 6.407788 405.9946 5.347718 5.686157 
8.346127 
1 1 1 3   10  20 o 160.8576 2.138064  5431.566       144.0818 5353.000       
196.7788 5522.369       211.5467 159.6097 2.936568 162.1054 3.108350 -2.495712 
4.276128 
1 1 1 3   10  21 o 150.1490 2.083461  4738.066       131.3326 4686.798       
185.0262 4790.125       186.4467 149.3301 2.951257 150.9678 2.941653 -1.637741 
4.166922 
1 1 1 3   10  22 o 410.7615 4.174147  35292.97       703.6390 34085.66       
897.4987 37218.73       1133.511 401.9670 5.318198 419.5561 6.435122 -17.58908 
8.348294 
1 1 1 3   10  23 o 69.99001 2.023431  1026.463       59.31957 978.9556       
80.61182 1082.570       87.60490 68.23204 2.814048 71.74799 2.908304 -3.515945 
4.046863 
1 1 1 3   10  24 o 206.8456 3.160307  9027.686       274.2587 9045.768       
381.1306 9008.268       394.9597 207.0802 4.383855 206.6110 4.553239 0.4692841 
6.320615 
1 1 1 3   10  25 o 110.9779 2.268158  2592.247       105.5383 2601.205       
153.3828 2584.192       145.4409 111.1522 3.286850 110.8037 3.126464 0.3484344 
4.536315 
1 1 1 3   10  26 o 25.00804 4.967991  136.6053       54.30770 143.1376       
77.83331 130.4080       75.81194 25.54531 7.036741 24.47076 7.014842 1.074545 
9.935982 
1 1 1 3   10  27 o 127.8346 1.688355  3391.031       89.20228 3197.526       
115.0208 3683.048       141.2975 123.3326 2.221362 132.3366 2.543171 -9.003998 
3.376710 
1 1 1 3   10  28 o 30.70988 4.736026  209.6516       59.48083 238.9186       
83.37881 179.3223       84.87844 32.99202 6.246638 28.42775 7.120343 4.564262 
9.472053 
1 1 1 3   10  29 o 73.95448 2.426585  1155.252       75.23802 1087.296       
106.5369 1222.866       106.2689 71.77081 3.535681 76.13815 3.324489 -4.367340 
4.853171 
1 1 1 3   10  30 o 61.13749 2.559120  790.3169       65.56097 790.5752       
95.72036 790.0886       89.98007 61.13324 3.729477 61.14173 3.505336 
-0.8491516E-02 5.118240 
1 1 1 3   10  31 o 41.77922 3.436723  382.5295       58.11265 487.8273       
81.18385 271.8799       83.22142 47.94267 4.033375 35.61578 5.565622 12.32689 
6.873446 
1 1 1 3   10  32 o 30.55889 4.626606  210.3077       57.63815 231.8511       
82.31697 189.5862       80.73145 32.17883 6.318326 28.93895 6.760229 3.239876 
9.253212 
1 1 1 3   10  33 o 72.62544 3.325878  1131.417       101.1753 1244.144       
146.7152 1029.199       139.7088 76.10702 4.591678 69.14387 4.812727 6.963150 
6.651756 
1 1 1 3   10  34 o 50.52486 4.176152  542.3114       86.81807 720.7101       
136.7627 421.8941       112.3612 57.33328 5.681746 43.71645 6.121987 13.61683 
8.352304 
1 1 1 3   10  35 o 23.63941 6.217381  91.75191       88.43859 199.5431       
130.9435 1.339812       119.9239 28.69237 9.415836 18.58645 8.121902 10.10592 
12.43476 
1 1 1 3   10  36 o 69.09917 5.719354  1068.876       165.9200 0.000000       
0.000000 1068.876       165.9200 ?        ?        69.09917 5.719354 ? ? 
1 1 1 3   10  37 o 27.81000 6.562104  196.4226       89.34049 174.9009       
118.6872 224.5606       135.7101 26.38380 8.964350 29.23620 9.585680 -2.852406 
13.12421 
1 1 1 3   10  38 o 41.25941 5.631301  412.6153       92.03345 343.7117       
116.0964 529.1484       150.9811 36.91407 7.739114 45.60476 8.182439 -8.690685 
11.26260 
1 1 1 3   10  39 o 97.75844 5.185376  2312.663       195.9626 2722.857       
361.5678 2142.057       233.1803 100.5656 8.563697 94.95127 5.849411 5.614342 
10.37075 
1 1 1 3   11  0  o 353.5975 1.683540  26222.20       249.7150 27002.66       
362.3301 25516.11       344.6347 358.6017 2.406651 348.5934 2.354837 10.00836 
3.367080 
1 1 1 3   11  1  o 252.3603 1.283205  13408.58       132.7835 13549.03       
170.8402 13194.27       211.0332 254.0390 1.601809 250.6816 2.005162 3.357391 
2.566411 
1 1 1 3   11  2  o 245.9875 1.680302  12601.96       167.1549 13087.58       
278.9041 12329.76       208.8122 249.6462 2.661037 242.3288 2.052447 7.317383 
3.360604 
1 1 1 3   11  3  o 332.1838 2.193979  22961.67       286.7734 22574.34       
347.8101 23784.06       506.8055 327.8770 2.526692 336.4907 3.587479 -8.613678 
4.387958 
1 1 1 3   11  4  o 181.1357 1.702385  6888.546       129.0956 6876.807       
176.0003 6902.217       189.9322 180.9707 2.316467 181.3007 2.495284 
-0.3300018     3.404771 
1 1 1 3   11  5  o 81.06198 1.465119  1375.309       49.75437 1316.439       
67.70721 1444.417       73.35871 79.18248 2.036699 82.94149 2.106692 -3.759010 
2.930238 
1 1 1 3   11  6  o 244.6172 2.854252  12569.18       293.0912 12719.07       
418.5960 12425.03       410.5094 246.0467 4.052272 243.1876 4.020709 2.859070 
5.708503 
1 1 1 3   11  7  o 293.7161 3.274041  18119.26       402.9181 17970.10       
551.5189 18289.99       590.0556 292.4301 4.492203 295.0020 4.764189 -2.571930 
6.548083 
1 1 1 3   11  8  o 299.8995 3.908263  18911.74       491.9829 18438.80       
694.7334 19387.51       696.8091 296.1327 5.587955 303.6663 5.465606 -7.533569 
7.816527 
1 1 1 3   11  9  o 476.4325 4.596891  47258.17       846.4652 46502.63       
1011.360 49025.29       1546.710 470.3419 5.121689 482.5232 7.635047 -12.18127 
9.193783 
1 1 1 3   11  10 f 259.8230 2.605673  14178.23       284.1977 14376.84       
405.9194 13987.26       398.0291 261.6068 3.695828 258.0391 3.674095 3.567719 
5.211345 
1 1 1 3   11  11 o 315.2812 2.678811  20812.00       345.7936 21197.96       
556.6171 20569.43       441.2777 317.6273 4.174069 312.9350 3.358759 4.692352 
5.357623 
1 1 1 3   11  12 f 157.7572 2.105460  5215.139       138.0928 5144.973       
182.4003 5309.365       211.3728 156.5218 2.775695 158.9925 3.166602 -2.470749 
4.210920 
1 1 1 3   11  13 o 500.2375 6.602358  52704.82       1382.765 51708.31       
1878.994 53881.98       2042.238 495.1656 9.038493 505.3094 9.626535 -10.14380 
13.20472 
1 1 1 3   11  14 o 188.5835 2.260532  7432.536       171.6054 7600.824       
288.3616 7340.256       213.5331 190.2123 3.610936 186.9546 2.720509 3.257706 
4.521065 
1 1 1 3   11  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   11  16 o 30.00927 3.837581  191.2424       47.13535 165.0029       
63.93287 222.4898       69.76754 27.49088 5.727823 32.52766 5.108832 -5.036787 
7.675162 
1 1 1 3   11  17 o 40.83513 3.214919  353.0842       54.40880 286.5054       
76.54242 421.0849       77.35535 36.91048 4.939392 44.75978 4.116456 -7.849293 
6.429837 
1 1 1 3   11  18 o 211.7616 2.516488  9422.453       223.7123 9500.497       
318.7097 9346.651       314.0946 212.6252 3.570276 210.8980 3.547391 1.727142 
5.032976 
1 1 1 3   11  19 o 98.61369 1.811593  2039.914       74.92369 2100.884       
109.0217 1985.347       103.1391 100.0072 2.596585 97.22015 2.526900 2.787079 
3.623186 
1 1 1 3   11  20 o 198.0994 2.101870  8199.688       172.6031 7964.467       
225.3481 8533.546       268.4707 194.6963 2.756877 201.5025 3.173493 -6.806183 
4.203740 
1 1 1 3   11  21 o 52.67565 2.539884  583.8973       56.12204 611.3810       
79.34526 556.3813       79.39187 53.91917 3.505088 51.43213 3.676737 2.487038 
5.079767 
1 1 1 3   11  22 o 67.69516 2.321583  964.2216       65.94601 949.7363       
94.38304 978.0385       92.17947 67.19571 3.345596 68.19462 3.219624 
-0.9989090     4.643166 
1 1 1 3   11  23 o 73.44226 2.211360  1135.164       68.04372 1230.589       
96.97542 1042.625       95.49828 76.48909 3.019835 70.39542 3.231262 6.093666 
4.422720 
1 1 1 3   11  24 o 156.0710 2.011660  5126.427       131.4718 5086.899       
192.5893 5160.922       179.9153 155.4951 2.950098 156.6469 2.735693 -1.151764 
4.023319 
1 1 1 3   11  25 o 119.7891 2.193529  3015.776       110.0569 2959.244       
149.9724 3081.749       162.0119 118.5834 3.012370 120.9948 3.189343 -2.411407 
4.387059 
1 1 1 3   11  26 o 250.7954 3.826519  13305.35       402.8347 13191.26       
563.5429 13424.56       576.0514 249.7093 5.375432 251.8815 5.447358 -2.172272 
7.653037 
1 1 1 3   11  27 o 135.2626 2.350621  3774.484       131.4411 3435.199       
168.9734 4294.361       209.1638 127.7433 3.150659 142.7818 3.489272 -15.03849 
4.701241 
1 1 1 3   11  28 o 105.9566 2.088411  2342.636       92.39063 2170.746       
123.0221 2565.001       139.9238 101.5456 2.885647 110.3676 3.019750 -8.822006 
4.176822 
1 1 1 3   11  29 o 146.1764 2.096550  4506.367       128.4221 4440.951       
186.6923 4565.123       176.9331 145.1495 3.063599 147.2032 2.862943 -2.053757 
4.193099 
1 1 1 3   11  30 o 172.1842 2.363268  6249.643       170.5217 6073.312       
232.9133 6453.341       250.3364 169.5939 3.271184 174.7745 3.411671 -5.180557 
4.726536 
1 1 1 3   11  31 o 108.9458 2.224527  2485.314       100.9292 2340.109       
133.0629 2682.036       154.8792 105.2629 3.010944 112.6287 3.275407 -7.365738 
4.449053 
1 1 1 3   11  32 o 54.20822 2.931493  623.1838       66.55946 587.5327       
90.42232 665.3460       98.33309 52.53176 4.099914 55.88467 4.191100 -3.352905 
5.862987 
1 1 1 3   11  33 o 90.51228 3.186807  1719.439       118.3583 1935.206       
192.8261 1589.004       149.9241 94.81804 4.843909 86.20654 4.142402 8.611504 
6.373614 
1 1 1 3   11  34 o 30.84590 6.074615  225.9202       82.04831 261.4511       
118.1636 192.8402       114.0152 33.10619 8.467246 28.58560 8.712606 4.520588 
12.14923 
1 1 1 3   11  35 o 51.55882 4.334386  589.6202       93.45488 627.9515       
139.8528 558.6937       125.6202 52.98637 6.286777 50.13128 5.968588 2.855087 
8.668773 
1 1 1 3   11  36 o 40.63226 5.606671  401.4193       92.91118 283.7888       
130.9564 520.6435       131.8406 33.47936 9.085809 47.78516 6.571692 -14.30580 
11.21334 
1 1 1 3   11  37 o 28.29312 6.991790  180.8495       107.0132 328.4148       
167.2480 78.55640       139.2490 34.47195 10.56151 22.11430 9.164876 12.35765 
13.98358 
1 1 1 3   11  38 o 23.14707 6.264161  99.66965       88.56793 20.38806       
115.6678 212.0336       137.7018 18.31781 7.990733 27.97633 9.649199 -9.658525 
12.52832 
1 1 1 3   11  39 o 21.10295 6.131117  81.47328       87.30647 28.01731       
113.3417 159.4728       136.9108 17.96129 7.871891 24.24460 9.401900 -6.283314 
12.26223 
1 1 1 3   12  0  o 171.7252 0.8609850 6191.373       62.06567 6073.276       
87.75009 6309.600       87.79816 170.0863 1.228851 173.3641 1.206277 -3.277878 
1.721970 
1 1 1 3   12  1  o 302.7257 1.613087  19252.21       204.7608 19444.56       
283.4039 19042.14       296.1685 304.3107 2.218246 301.1408 2.342558 3.169922 
3.226173 
1 1 1 3   12  2  o 106.4512 1.298075  2264.331       53.91804 2689.115       
99.60013 2088.242       64.12703 113.1695 2.096291 99.73299 1.531523 13.43652 
2.596150 
1 1 1 3   12  3  o 386.2639 2.826998  31529.53       448.7332 32285.17       
581.9011 30420.90       704.8314 392.0426 3.535387 380.4851 4.412337 11.55753 
5.653997 
1 1 1 3   12  4  o 327.3533 3.217773  22378.52       420.4259 22072.38       
517.7592 22971.10       720.3479 324.1411 3.804651 330.5655 5.190460 -6.424438 
6.435545 
1 1 1 3   12  5  o 227.6409 2.050113  10588.05       166.6469 10334.25       
189.7071 11445.74       348.7454 221.8541 2.036747 233.4277 3.558584 -11.57356 
4.100227 
1 1 1 3   12  6  o 225.6755 2.143940  10732.21       194.3293 10821.43       
242.3775 10571.63       325.1602 227.0093 2.543136 224.3416 3.452300 2.667694 
4.287880 
1 1 1 3   12  7  o 347.0696 2.182050  25274.74       315.2660 25115.30       
418.8444 25483.14       478.8665 345.8190 2.884861 348.3201 3.274590 -2.501068 
4.364099 
1 1 1 3   12  8  o 319.9758 2.623668  21357.33       323.0161 21884.21       
593.2765 21135.34       385.0996 322.7149 4.378841 317.2366 2.891417 5.478302 
5.247336 
1 1 1 3   12  9  o 137.8271 1.932404  3914.306       106.6252 3751.625       
130.9587 4234.222       183.6469 133.6662 2.333640 141.9880 3.080725 -8.321732 
3.864808 
1 1 1 3   12  10 o 113.5635 1.926291  2708.954       91.81732 2742.981       
128.8993 2673.905       130.8206 114.2883 2.686395 112.8388 2.761461 1.449486 
3.852582 
1 1 1 3   12  11 o 172.4036 2.180627  6115.433       152.2868 6716.116       
256.0284 5786.564       189.4420 178.8114 3.410468 165.9959 2.718316 12.81548 
4.361254 
1 1 1 3   12  12 o 519.3276 3.889124  56557.17       807.9736 57221.40       
1372.821 56205.14       999.3972 521.5212 6.269934 517.1341 4.603159 4.387085 
7.778248 
1 1 1 3   12  13 o 104.2949 1.534572  2266.516       66.83157 2125.472       
89.07085 2448.212       101.0952 100.6113 2.108676 107.9784 2.230050 -7.367111 
3.069143 
1 1 1 3   12  14 o 193.7335 1.722111  7884.658       139.5043 7847.473       
206.5383 7915.856       189.1802 193.3101 2.544879 194.1570 2.320832 
-0.8468933     3.444223 
1 1 1 3   12  15 o 160.2056 1.650013  5388.780       110.6686 5378.679       
150.8931 5400.538       162.8026 160.0453 2.245679 160.3660 2.418077 
-0.3207550     3.300026 
1 1 1 3   12  16 o 183.1971 2.105978  6952.972       156.7093 7423.011       
260.2384 6685.560       196.2882 187.9754 3.297551 178.4187 2.620443 9.556641 
4.211955 
1 1 1 3   12  17 o 62.30676 2.330763  804.0770       60.26389 650.1494       
80.54638 999.8151       90.82917 55.62632 3.448949 68.98721 3.136013 -13.36089 
4.661526 
1 1 1 3   12  18 o 125.2208 2.070753  3263.234       107.9287 3521.160       
166.0584 3074.592       142.0148 129.4605 3.055235 120.9811 2.796000 8.479401 
4.141506 
1 1 1 3   12  19 o 136.7585 2.231397  3927.800       127.7674 3961.471       
188.1412 3898.980       174.0600 137.2972 3.263949 136.2199 3.043545 1.077301 
4.462794 
1 1 1 3   12  20 o 240.9740 3.444270  12107.01       343.6692 11550.06       
445.9875 12921.16       539.2219 234.2656 4.534561 247.6825 5.185532 -13.41690 
6.888540 
1 1 1 3   12  21 o 198.9978 1.930936  8314.657       160.8597 8419.057       
237.3025 8225.900       218.8019 200.1446 2.824096 197.8509 2.634111 2.293671 
3.861872 
1 1 1 3   12  22 o 27.58088 4.066433  178.3965       47.44949 72.62735       
70.75838 264.8244       63.96249 19.70405 6.905204 35.45771 4.296707 -15.75366 
8.132867 
1 1 1 3   12  23 o 165.0872 2.547761  5740.333       176.4635 5657.473       
253.1865 5818.605       246.0794 163.9180 3.679045 166.2565 3.525476 -2.338562 
5.095523 
1 1 1 3   12  24 o 100.1727 2.176244  2109.600       91.47572 2022.282       
127.2604 2202.947       131.5802 98.02894 3.092145 102.3165 3.063134 -4.287514 
4.352488 
1 1 1 3   12  25 o 117.4005 1.934404  2890.177       94.91959 2808.778       
127.5722 2991.125       142.0679 115.5637 2.629393 119.2373 2.837950 -3.673576 
3.868808 
1 1 1 3   12  26 o 72.11012 2.415825  1094.350       73.10970 1073.093       
101.6929 1117.090       105.1808 71.38731 3.393052 72.83292 3.439772 -1.445610 
4.831649 
1 1 1 3   12  27 o 194.3986 3.067930  7975.669       250.3563 7984.823       
357.1055 7966.822       351.0857 194.5000 4.373188 194.2972 4.303953 0.2027283 
6.135860 
1 1 1 3   12  28 o 33.46182 4.013323  243.5109       54.19963 188.0562       
75.73405 301.7315       77.59972 29.16734 6.360953 37.75630 4.895440 -8.588966 
8.026647 
1 1 1 3   12  29 o 102.8870 2.291961  2227.591       98.85239 2318.849       
144.7343 2147.800       135.3353 104.8508 3.287916 100.9231 3.194049 3.927650 
4.583922 
1 1 1 3   12  30 o 79.30116 2.420284  1326.694       80.50945 1254.685       
111.6413 1404.718       116.2112 77.05824 3.450857 81.54407 3.394507 -4.485825 
4.840568 
1 1 1 3   12  31 o 97.80930 2.065710  2010.347       84.33327 1937.988       
112.5063 2103.147       127.4098 95.83306 2.796292 99.78553 3.041279 -3.952469 
4.131420 
1 1 1 3   12  32 o 123.4705 2.938515  3226.602       151.5011 3064.746       
202.1127 3434.181       228.8863 120.0188 4.011118 126.9222 4.295395 -6.903473 
5.877030 
1 1 1 3   12  33 o 92.60204 2.882349  1837.397       111.4874 1773.428       
164.4618 1891.786       151.6501 91.01323 4.304093 94.19083 3.834910 -3.177605 
5.764699 
1 1 1 3   12  34 o 51.76389 4.236147  587.0705       91.73616 659.8629       
134.0190 522.8954       125.8363 54.83719 5.821198 48.69059 6.155764 6.146599 
8.472295 
1 1 1 3   12  35 o 25.05426 6.317208  138.6916       85.38435 95.00919       
128.1046 173.6099       114.5351 23.04686 9.059812 27.06165 8.806150 -4.014788 
12.63442 
1 1 1 3   12  36 o 120.7276 3.343763  3133.977       165.3002 3468.260       
270.0365 2933.650       209.0426 125.3244 5.132250 116.1308 4.287543 9.193642 
6.687527 
1 1 1 3   12  37 o 31.45968 6.193520  243.8872       91.24113 384.1327       
135.4706 127.4518       123.4363 39.06023 8.497985 23.85913 9.012381 15.20111 
12.38704 
1 1 1 3   12  38 o 53.60591 4.392809  668.3614       97.78114 671.1003       
129.6790 664.7521       148.8645 54.14078 5.705141 53.07104 6.681201 1.069744 
8.785618 
1 1 1 3   12  39 o 14.34519 6.810564  -86.54173      110.9443 -86.54173      
110.9443 0.000000       0.000000 14.34519 6.810564 ?        ?        ? ? 
1 1 1 3   12  40 o 25.44947 6.275415  141.1727       91.77168 10.24334       
116.3669 356.5754       149.2576 17.16107 7.715998 33.73787 9.898824 -16.57680 
12.55083 
1 1 1 3   13  0  o 478.2592 2.484549  48076.04       498.5831 49491.98       
700.9646 46626.15       709.3155 485.3976 3.439692 471.1208 3.586148 14.27676 
4.969099 
1 1 1 3   13  1  o 88.77017 1.324194  1655.044       49.33469 1693.829       
69.49558 1615.640       70.04727 89.81923 1.842930 87.72112 1.901990 2.098114 
2.648387 
1 1 1 3   13  2  o 368.1771 1.968225  28265.09       300.0113 27311.54       
390.0046 29647.22       469.5402 360.6364 2.575854 375.7179 2.976679 -15.08151 
3.936450 
1 1 1 3   13  3  o 253.4990 1.747774  13483.90       181.7352 13446.20       
233.1808 13542.23       290.0531 253.0569 2.194803 253.9411 2.720606 
-0.8841553     3.495548 
1 1 1 3   13  4  o 282.9705 1.781324  16809.32       210.8247 16756.77       
285.7819 16872.08       312.2793 282.4895 2.409647 283.4515 2.624130 
-0.9620361     3.562648 
1 1 1 3   13  5  o 397.6653 2.996535  33113.46       465.7669 33541.98       
829.1414 32915.90       562.9897 399.4689 4.943866 395.8618 3.387489 3.607025 
5.993071 
1 1 1 3   13  6  o 462.4666 4.890985  45041.43       921.4484 45132.93       
1170.121 44892.05       1495.036 463.2306 6.016647 461.7025 7.712773 1.528137 
9.781969 
1 1 1 3   13  7  o 53.91778 1.761452  609.7939       39.70424 689.8785       
57.31424 535.9001       55.05446 57.31851 2.381709 50.51705 2.595826 6.801460 
3.522904 
1 1 1 3   13  8  o 541.4374 6.839283  61851.64       1553.677 61886.30       
2237.742 61819.39       2158.845 541.5349 9.842481 541.3398 9.498880 0.1950684 
13.67857 
1 1 1 3   13  9  o 157.1468 1.798056  5079.339       115.2384 4766.540       
144.6523 5622.738       190.6564 150.6658 2.286819 163.6279 2.775333 -12.96211 
3.596111 
1 1 1 3   13  10 o 635.2172 4.410144  84815.58       1125.604 84642.88       
1401.017 85130.03       1890.458 634.5050 5.259320 635.9293 7.080750 -1.424255 
8.820288 
1 1 1 3   13  11 o 243.3205 2.814602  12456.41       287.0394 12804.51       
398.1078 12079.52       414.2429 246.8734 3.841028 239.7676 4.115149 7.105713 
5.629205 
1 1 1 3   13  12 o 80.56143 1.768696  1362.512       59.79496 1306.247       
83.84463 1420.746       85.29983 78.86904 2.532152 82.25383 2.470092 -3.384789 
3.537393 
1 1 1 3   13  13 o 124.0011 2.262288  3225.999       115.9606 3251.167       
180.8732 3208.434       151.0996 124.4047 3.463048 123.5976 2.911886 0.8070755 
4.524576 
1 1 1 3   13  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   13  15 o 365.4282 3.072101  28028.04       469.4515 28501.89       
698.2300 27637.13       634.1901 368.2240 4.516557 362.6324 4.165565 5.591675 
6.144202 
1 1 1 3   13  16 o 197.6778 1.893629  8192.641       156.0644 8328.399       
235.8725 8086.932       208.1372 199.1260 2.821437 196.2296 2.526424 2.896393 
3.787258 
1 1 1 3   13  17 o 124.1082 1.593622  3229.252       82.96352 3097.728       
114.4982 3374.634       120.3789 121.4523 2.245504 126.7641 2.261910 -5.311745 
3.187244 
1 1 1 3   13  18 o 184.4896 2.518234  7153.398       195.0111 7148.425       
273.0185 7158.579       278.6423 184.4263 3.526065 184.5528 3.596229 
-0.1265259     5.036467 
1 1 1 3   13  19 o 49.37680 2.759314  514.4484       56.49366 414.9371       
78.61930 620.6861       81.23300 44.41558 4.216139 54.33802 3.560818 -9.922440 
5.518628 
1 1 1 3   13  20 o 141.4247 2.161959  4201.460       128.3297 4078.771       
179.1593 4330.736       183.9049 139.3052 3.063324 143.5442 3.051607 -4.238983 
4.323917 
1 1 1 3   13  21 o 60.89147 2.353492  773.0083       59.89665 689.1501       
80.69843 875.8763       89.37836 57.24495 3.357755 64.53799 3.298664 -7.293037 
4.706985 
1 1 1 3   13  22 o 107.5573 1.924306  2427.587       86.81579 2320.121       
119.8000 2546.437       125.9855 105.0553 2.716189 110.0593 2.726560 -5.004005 
3.848612 
1 1 1 3   13  23 o 46.08696 2.605522  447.9357       50.31293 416.1360       
71.26035 479.5450       71.04658 44.44818 3.818696 47.72575 3.545777 -3.277573 
5.211044 
1 1 1 3   13  24 o 162.0772 2.458682  5519.813       167.1122 5206.543       
230.4083 5867.508       242.7380 157.2340 3.490379 166.9204 3.463773 -9.686356 
4.917364 
1 1 1 3   13  25 o 117.9330 1.942134  2916.415       95.85053 2818.236       
129.5908 3034.999       142.4223 115.7556 2.666572 120.1105 2.824346 -4.354965 
3.884268 
1 1 1 3   13  26 o 42.89307 3.324222  388.8715       59.71312 423.4991       
84.93578 355.0296       83.96676 44.79269 4.516527 40.99345 4.878811 3.799240 
6.648445 
1 1 1 3   13  27 o 172.3476 2.701506  6253.694       195.0399 6378.577       
286.7147 6146.129       266.0942 173.9266 3.926496 170.7686 3.711491 3.157913 
5.403011 
1 1 1 3   13  28 o 190.8752 1.995007  7611.759       156.2821 7405.248       
199.6302 7938.683       251.1764 187.6081 2.534521 194.1423 3.081625 -6.534225 
3.990014 
1 1 1 3   13  29 o 91.36928 2.277400  1760.293       87.34916 1784.073       
124.8045 1737.459       122.2945 91.97252 3.232163 90.76604 3.209257 1.206474 
4.554801 
1 1 1 3   13  30 o 91.45419 2.226484  1747.619       84.89201 1487.504       
114.3493 2067.013       126.7110 83.93340 3.245038 98.97500 3.049369 -15.04160 
4.452968 
1 1 1 3   13  31 o 156.3835 2.152931  5136.069       140.3279 4932.857       
186.0261 5404.388       213.7588 152.8605 2.898676 159.9065 3.184044 -7.045975 
4.305863 
1 1 1 3   13  32 o 90.15173 3.139689  1726.058       117.8546 1799.009       
180.0344 1671.354       155.9015 91.73013 4.674817 88.57333 4.192456 3.156807 
6.279378 
1 1 1 3   13  33 o 48.34253 4.384439  508.9819       88.65655 532.1131       
132.2159 490.0847       119.5042 49.27697 6.390883 47.40809 6.004151 1.868881 
8.768878 
1 1 1 3   13  34 f 33.98649 5.990227  265.3064       86.68560 379.3139       
132.6551 180.3418       114.5187 40.18433 8.147086 27.78866 8.783863 12.39567 
11.98045 
1 1 1 3   13  35 o 58.65617 3.968900  769.3053       96.09744 684.3489       
144.1050 837.3404       128.9577 55.38651 6.197207 61.92582 4.960172 -6.539307 
7.937801 
1 1 1 3   13  36 f 20.98056 6.101771  52.51413       87.32368 108.8440       
130.7142 7.112065       117.3522 23.50427 9.171846 18.45684 8.050072 5.047430 
12.20354 
1 1 1 3   13  37 o 37.83381 5.834120  350.2541       89.95892 441.3032       
136.8746 281.0169       119.3588 42.37961 7.985396 33.28801 8.507719 9.091602 
11.66824 
1 1 1 3   13  38 o 74.08862 3.319373  1222.027       103.1998 1216.150       
143.6325 1228.298       148.3761 73.96639 4.625295 74.21085 4.762311 
-0.2444534     6.638747 
1 1 1 3   13  39 o 18.81428 5.807549  7.627226       87.81027 -65.86700      
113.5685 116.8754       138.4645 15.07800 7.071360 22.55055 9.214465 -7.472544 
11.61510 
1 1 1 3   13  40 o 46.07759 9.964587  642.4825       187.3067 642.4825       
187.3067 0.000000       0.000000 46.07759 9.964587 ?        ?        ? ? 
1 1 1 3   14  0  o 358.9785 2.422823  27059.54       358.6883 27012.92       
465.3540 27127.77       563.0066 358.6214 3.090782 359.3356 3.731937 
-0.7142029     4.845646 
1 1 1 3   14  1  f 292.8075 1.621344  17994.11       198.0481 17923.97       
265.2922 18082.41       297.6583 292.1683 2.162781 293.4467 2.416071 -1.278412 
3.242687 
1 1 1 3   14  2  o 341.5489 2.275656  24556.20       305.9836 24657.56       
373.1820 24348.27       534.5049 342.6624 2.594032 340.4354 3.739711 2.226929 
4.551312 
1 1 1 3   14  3  f 115.6383 1.379879  2809.478       66.94845 2894.851       
94.06095 2721.822       95.31023 117.4204 1.908037 113.8561 1.993904 3.564323 
2.759757 
1 1 1 3   14  4  o 187.3448 1.612594  7363.612       126.6379 7476.938       
184.9428 7263.571       173.7655 188.6995 2.334468 185.9902 2.225331 2.709290 
3.225188 
1 1 1 3   14  5  o 201.5694 1.793894  8420.729       140.8110 8240.878       
169.0430 8828.383       254.4982 198.1125 2.032386 205.0263 2.956625 -6.913773 
3.587788 
1 1 1 3   14  6  o 370.3396 2.502660  28846.07       386.0193 28524.80       
582.2115 29098.08       515.6552 368.4803 3.763463 372.1988 3.299936 -3.718506 
5.005320 
1 1 1 3   14  7  o 77.59937 1.563858  1258.816       50.76860 1328.201       
75.72749 1202.172       68.42229 79.53249 2.267932 75.66625 2.153855 3.866234 
3.127716 
1 1 1 3   14  8  o 124.3344 1.549944  3246.012       80.90385 3245.742       
114.9250 3246.279       113.9123 124.3291 2.201724 124.3397 2.182137 
-0.1057434E-01 3.099889 
1 1 1 3   14  9  o 239.3333 2.613302  11992.79       259.8882 11758.64       
342.2432 12311.72       399.4210 236.5955 3.445477 242.0710 3.930151 -5.475494 
5.226604 
1 1 1 3   14  10 o 189.7520 2.598082  7561.411       206.1502 7595.289       
305.8108 7533.193       279.0978 190.1350 3.830998 189.3691 3.510494 0.7658386 
5.196164 
1 1 1 3   14  11 f 455.6541 4.857319  43434.00       898.8729 42656.39       
1130.734 44769.12       1481.627 450.3025 5.981047 461.0058 7.655147 -10.70337 
9.714638 
1 1 1 3   14  12 o 587.1980 7.640590  72852.88       1881.014 73769.83       
2740.228 72035.80       2586.714 590.5933 11.05145 583.8027 10.55367 6.790649 
15.28118 
1 1 1 3   14  13 o 158.0694 2.340573  5233.767       153.7419 5350.855       
236.0140 5147.459       202.6317 159.5935 3.522440 156.5454 3.083104 3.048141 
4.681145 
1 1 1 3   14  14 f 46.70020 6.393207  459.0745       125.3477 459.0745       
125.3477 0.000000       0.000000 46.70020 6.393207 ?        ?        ? ? 
1 1 1 3   14  15 o 477.7114 6.084937  48094.47       1209.836 48682.67       
1840.728 47647.13       1605.273 480.1175 9.131943 475.3052 8.044467 4.812225 
12.16987 
1 1 1 3   14  16 o 157.1891 2.339246  5193.813       152.1592 5176.384       
235.8193 5206.245       199.1658 156.9513 3.578784 157.4269 3.013401 
-0.4756622     4.678491 
1 1 1 3   14  17 o 344.7732 3.875437  24844.33       498.4644 25404.67       
963.0162 24639.27       582.5781 347.1986 6.606580 342.3477 4.053291 4.850891 
7.750875 
1 1 1 3   14  18 o 190.1573 2.570643  7601.226       205.0980 7594.730       
295.2609 7607.283       285.1100 190.0742 3.700018 190.2405 3.569690 
-0.1663666     5.141286 
1 1 1 3   14  19 o 230.0652 3.368039  11121.67       324.7928 10812.61       
444.5611 11475.50       475.6682 226.6552 4.671827 233.4753 4.852709 -6.820053 
6.736079 
1 1 1 3   14  20 f 224.9341 2.196435  10635.73       206.8057 10635.15       
304.4047 10636.22       281.8326 224.9164 3.223675 224.9519 2.984164 
-0.3546143E-01 4.392871 
1 1 1 3   14  21 o 105.3970 1.944480  2335.075       86.03205 2291.876       
121.5774 2378.403       121.7581 104.4194 2.773275 106.3746 2.726346 -1.955231 
3.888961 
1 1 1 3   14  22 o 263.1848 3.140424  14592.00       346.8856 14307.50       
483.0751 14894.87       498.4254 260.5437 4.416265 265.8258 4.466055 -5.282135 
6.280848 
1 1 1 3   14  23 o 148.0173 2.509159  4612.335       155.8714 4646.565       
223.7791 4580.079       217.2372 148.5455 3.588235 147.4891 3.508289 1.056412 
5.018319 
1 1 1 3   14  24 o 198.3204 2.064199  8262.441       171.5593 8072.961       
234.5858 8480.305       251.5441 195.8903 2.852396 200.7506 2.984546 -4.860291 
4.128399 
1 1 1 3   14  25 o 62.98276 2.485890  834.6353       65.69290 796.5834       
91.37622 875.3425       94.51064 61.49706 3.539157 64.46846 3.491841 -2.971397 
4.971779 
1 1 1 3   14  26 o 196.7001 3.111410  8164.915       256.9345 8138.295       
364.6865 8191.149       362.0484 196.3764 4.423352 197.0239 4.376921 
-0.6475525     6.222819 
1 1 1 3   14  27 o 179.6704 2.256666  6774.246       168.9823 6979.584       
256.5285 6616.846       224.5964 182.0387 3.356549 177.3020 3.017242 4.736633 
4.513333 
1 1 1 3   14  28 o 132.7076 1.942284  3696.894       108.0634 3497.262       
148.2537 3923.197       157.8466 128.8967 2.739584 136.5185 2.754005 -7.621796 
3.884567 
1 1 1 3   14  29 o 110.7699 2.309451  2570.510       106.7055 2740.188       
162.2124 2441.081       141.6733 113.9486 3.390753 107.5911 3.136408 6.357445 
4.618902 
1 1 1 3   14  30 o 92.41277 2.165766  1783.577       83.57841 1575.454       
112.0838 2044.236       125.4354 86.39901 3.089977 98.42652 3.035491 -12.02751 
4.331531 
1 1 1 3   14  31 f 86.97677 2.345071  1598.544       85.55475 1505.435       
119.2072 1697.449       122.8609 84.35748 3.365890 89.59605 3.266223 -5.238571 
4.690141 
1 1 1 3   14  32 o 26.92876 6.319010  151.7347       84.32854 206.7722       
126.3500 107.5251       113.2411 30.08749 9.172076 23.77003 8.694398 6.317453 
12.63802 
1 1 1 3   14  33 o 20.82131 5.766289  33.72933       83.76727 -101.2815      
126.2549 139.8964       111.9589 16.20638 7.562821 25.43624 8.706553 -9.229858 
11.53258 
1 1 1 3   14  34 o 73.15530 3.551949  1172.552       107.5521 1080.962       
162.2393 1244.360       143.6540 70.34705 5.493273 75.96355 4.504366 -5.616493 
7.103898 
1 1 1 3   14  35 o 128.9727 3.304290  3584.277       171.4021 3731.190       
288.9810 3504.542       212.8929 130.3776 5.279435 127.5679 3.975034 2.809700 
6.608581 
1 1 1 3   14  36 o 47.38741 5.188236  546.8547       95.51035 396.0110       
142.6527 669.4131       128.5842 39.95660 8.743904 54.81821 5.587067 -14.86161 
10.37647 
1 1 1 3   14  37 o 32.78114 5.666546  285.3801       85.47992 132.5841       
134.1546 389.8128       110.9093 24.39021 9.341828 41.17207 6.416324 -16.78185 
11.33309 
1 1 1 3   14  38 o 15.54039 5.139088  -78.61601      84.28718 -117.7388      
120.9234 -41.64667      117.5484 14.67550 7.014440 16.40528 7.512557 -1.729780 
10.27818 
1 1 1 3   14  39 o 30.50974 6.659194  265.4442       93.59077 302.5752       
139.4447 235.0069       126.2513 32.28902 9.594385 28.73046 9.237273 3.558563 
13.31839 
1 1 1 3   14  40 o 24.79719 6.163965  164.6382       90.24359 40.09180       
129.2394 283.1454       126.0671 18.76431 8.301484 30.83007 9.113903 -12.06576 
12.32793 
1 1 1 3   15  0  o 176.3694 1.989001  6451.846       135.4954 6329.805       
161.6851 6739.720       248.3241 173.6203 2.218149 179.1186 3.302169 -5.498352 
3.978002 
1 1 1 3   15  1  o 207.1461 3.402797  9014.075       295.9320 9014.075       
295.9320 0.000000       0.000000 207.1461 3.402797 ?        ?        ? ? 
1 1 1 3   15  2  o 186.2478 2.510155  7272.450       196.0000 7021.422       
268.6277 7558.228       286.6177 182.8199 3.499841 189.6756 3.599254 -6.855698 
5.020310 
1 1 1 3   15  3  o 188.0621 1.325233  7323.591       87.29955 7242.250       
98.85812 7611.697       186.0510 185.7339 1.267775 190.3903 2.327599 -4.656433 
2.650466 
1 1 1 3   15  4  o 183.9299 1.977366  7018.374       147.6958 6778.209       
185.0969 7439.283       245.0406 179.6613 2.453950 188.1984 3.101297 -8.537048 
3.954733 
1 1 1 3   15  5  o 158.4018 1.551862  5278.543       102.0918 5199.028       
155.6474 5338.584       135.2510 157.3493 2.356122 159.4542 2.020345 -2.104828 
3.103725 
1 1 1 3   15  6  o 247.1824 2.141579  12829.33       216.6930 12817.31       
277.1492 12848.22       347.5715 247.0484 2.672100 247.3164 3.347436 
-0.2679596     4.283158 
1 1 1 3   15  7  o 224.2881 2.558029  10437.78       235.0735 11150.25       
381.5095 10001.73       298.4622 230.3654 3.944655 218.2108 3.257874 12.15466 
5.116058 
1 1 1 3   15  8  o 458.4505 2.873149  44172.06       552.8917 43575.15       
786.3447 44755.67       777.5434 455.3813 4.113001 461.5197 4.012873 -6.138458 
5.746297 
1 1 1 3   15  9  o 542.4222 3.723313  61715.12       840.4001 60762.91       
1112.723 62979.54       1282.230 537.6198 4.929842 547.2248 5.581120 -9.605042 
7.446627 
1 1 1 3   15  10 o 204.8495 2.583651  8758.905       216.9904 8559.051       
276.8909 9076.990       349.3197 201.8577 3.267265 207.8413 4.003246 -5.983582 
5.167301 
1 1 1 3   15  11 o 117.9201 1.864946  2909.487       91.85908 2819.969       
123.0391 3022.217       138.0735 115.8804 2.529032 119.9597 2.741550 -4.079277 
3.729892 
1 1 1 3   15  12 o 155.5516 2.346233  5089.404       153.0205 4902.457       
219.3687 5266.576       213.5557 152.7623 3.420420 158.3409 3.212470 -5.578598 
4.692466 
1 1 1 3   15  13 o 311.0773 3.696299  20348.41       482.5139 19500.68       
677.5327 21220.82       687.3281 304.4960 5.299925 317.6586 5.153765 -13.16260 
7.392598 
1 1 1 3   15  14 o 231.5779 2.885511  11069.62       261.7145 11827.18       
469.9421 10729.03       315.1007 237.1706 4.719593 225.9851 3.321166 11.18553 
5.771023 
1 1 1 3   15  15 o 64.36348 2.313759  869.8193       62.27714 876.3995       
92.41626 864.3455       84.28996 64.58399 3.408353 64.14297 3.130025 0.4410248 
4.627519 
1 1 1 3   15  16 o 360.6177 3.064834  27275.60       425.3695 27516.06       
777.8389 27173.01       508.0716 361.6298 5.123262 359.6057 3.365266 2.024078 
6.129668 
1 1 1 3   15  17 o 167.0159 2.237592  5864.149       155.4992 5840.239       
235.9537 5882.506       206.7473 166.7035 3.371343 167.3282 2.943010 
-0.6246948     4.475183 
1 1 1 3   15  18 o 153.3258 2.621568  4945.999       168.6162 4841.331       
241.7953 5045.083       235.2578 151.7399 3.795503 154.9117 3.617269 -3.171875 
5.243136 
1 1 1 3   15  19 f 73.52089 2.233130  1138.923       68.75255 1084.358       
99.26800 1189.228       95.31406 71.82014 3.292184 75.22163 3.018112 -3.401489 
4.466259 
1 1 1 3   15  20 o 286.1483 2.586337  17170.90       306.2786 16913.23       
399.3358 17539.00       477.3052 283.5975 3.353952 288.6991 3.937965 -5.101563 
5.172675 
1 1 1 3   15  21 o 94.68833 1.881376  1883.339       74.73499 1782.757       
104.3468 1989.277       107.0890 92.09246 2.698833 97.28420 2.621946 -5.191742 
3.762751 
1 1 1 3   15  22 o 256.1452 3.849428  13831.13       412.1786 14200.85       
615.4531 13530.44       555.0349 259.1752 5.656171 253.1152 5.223037 6.060028 
7.698856 
1 1 1 3   15  23 o 97.29948 2.012776  1990.752       82.14491 1975.913       
113.5525 2007.043       118.9782 96.92315 2.790554 97.67581 2.901358 
-0.7526627     4.025552 
1 1 1 3   15  24 o 164.1432 1.898001  5642.824       129.6833 5846.580       
198.1926 5490.270       171.4913 166.7049 2.831784 161.5814 2.527970 5.123520 
3.796002 
1 1 1 3   15  25 o 250.6602 3.382415  13164.05       352.5597 12545.84       
463.1085 14016.24       543.7279 243.7979 4.524534 257.5226 5.029067 -13.72466 
6.764829 
1 1 1 3   15  26 f 158.7744 2.571333  5301.804       171.2066 5123.934       
235.3441 5501.752       249.5230 155.9574 3.594335 161.5915 3.678012 -5.634094 
5.142666 
1 1 1 3   15  27 o 94.39298 2.000828  1873.920       79.26927 1824.592       
110.5781 1926.069       113.6942 93.11590 2.828565 95.67007 2.830631 -2.554169 
4.001657 
1 1 1 3   15  28 o 23.62133 4.545895  100.3178       58.60703 -33.36099      
83.10838 232.5553       82.65915 14.73005 6.574581 32.51262 6.279771 -17.78257 
9.091790 
1 1 1 3   15  29 o 38.51957 4.025433  322.8701       62.51706 258.6682       
87.80058 388.8935       89.03735 34.25001 6.344389 42.78913 4.956326 -8.539127 
8.050866 
1 1 1 3   15  30 o 32.24466 4.486666  240.0225       60.24105 97.51156       
85.16430 382.7304       85.22316 22.07153 7.590739 42.41778 4.785538 -20.34625 
8.973332 
1 1 1 3   15  31 o 61.78807 3.241114  836.3763       80.84627 583.6888       
115.4510 1079.515       113.2486 52.22305 5.265705 71.35310 3.780429 -19.13005 
6.482229 
1 1 1 3   15  32 o 36.55349 5.237329  303.6908       78.59387 252.2470       
114.8361 349.0193       107.7948 33.05059 8.284469 40.05639 6.409838 -7.005798 
10.47466 
1 1 1 3   15  33 o 121.9563 3.246966  3138.843       163.4818 3499.896       
260.8012 2905.146       209.8221 127.4548 4.873876 116.4579 4.291444 10.99693 
6.493933 
1 1 1 3   15  34 o 32.45337 5.731687  249.3443       77.53265 250.5753       
117.0039 248.3806       103.5247 32.39043 8.497893 32.51632 7.693811 
-0.1258888     11.46337 
1 1 1 3   15  35 o 46.74249 4.298797  472.4475       82.65714 628.8531       
128.4611 361.9418       107.9786 53.30007 5.740699 40.18490 6.400234 13.11517 
8.597594 
1 1 1 3   15  36 o 40.71220 5.147106  369.1086       83.41711 658.1579       
132.9440 181.4094       107.1307 54.19688 5.842725 27.22752 8.475455 26.96935 
10.29421 
1 1 1 3   15  37 o 21.48834 6.109445  78.91026       85.44399 113.9004       
122.0748 45.30512       119.6343 23.11768 8.895837 19.85900 8.376476 3.258678 
12.21889 
1 1 1 3   15  38 o 23.06948 6.250636  100.8770       89.81079 202.3901       
132.8811 15.50860       121.8571 27.58492 9.482213 18.55404 8.146743 9.030888 
12.50127 
1 1 1 3   15  39 o 47.11852 4.534027  533.7440       89.52249 521.8796       
129.3741 544.6438       124.0044 46.39942 6.641344 47.83760 6.174313 -1.438183 
9.068053 
1 1 1 3   15  40 o 21.12904 5.974243  107.9586       83.71982 42.56808       
134.6981 149.1208       106.8693 19.05783 8.447578 23.20024 8.450131 -4.142418 
11.94849 
1 1 1 3   16  0  o 283.6993 2.922452  16927.59       346.5415 17030.76       
469.2986 16803.87       513.9001 284.6683 3.926731 282.7302 4.329399 1.938110 
5.844904 
1 1 1 3   16  1  o 230.7045 2.898489  11084.24       275.5543 10680.11       
354.1732 11704.04       438.6147 225.4482 3.741882 235.9608 4.427559 -10.51265 
5.796978 
1 1 1 3   16  2  o 523.3983 8.199866  57771.03       1801.847 0.000000       
0.000000 57771.03       1801.847 ?        ?        523.3983 8.199866 ? ? 
1 1 1 3   16  3  o 224.1410 3.133705  10472.90       284.6890 10235.89       
356.6796 10888.95       472.5602 220.7114 3.849236 227.5706 4.946090 -6.859222 
6.267409 
1 1 1 3   16  4  o 379.1822 4.591098  29053.84       459.2899 28720.84       
485.8532 31851.70       1408.325 369.7736 3.129610 388.5908 8.632397 -18.81714 
9.182197 
1 1 1 3   16  5  o 230.3606 2.389121  11135.71       220.0070 11108.71       
272.1464 11186.66       373.7712 229.9836 2.818558 230.7377 3.858409 
-0.7541809     4.778241 
1 1 1 3   16  6  o 304.2719 2.124302  19537.39       253.7474 19185.62       
444.5498 19707.39       309.0366 302.1993 3.503870 306.3446 2.402817 -4.145264 
4.248604 
1 1 1 3   16  7  o 192.7143 1.943251  7761.149       155.3196 7561.340       
203.1826 8042.065       240.9166 189.7513 2.550485 195.6772 2.932564 -5.925888 
3.886503 
1 1 1 3   16  8  o 247.1035 2.231956  12784.04       217.7675 12948.39       
380.2127 12703.81       265.6580 248.2551 3.647956 245.9520 2.572727 2.303101 
4.463912 
1 1 1 3   16  9  o 387.7400 3.347171  31410.68       517.7043 32227.10       
887.9870 30990.30       637.2015 391.4477 5.403236 384.0323 3.952120 7.415436 
6.694342 
1 1 1 3   16  10 o 222.2864 1.824017  10349.13       168.6944 10176.30       
223.1895 10579.44       257.6422 220.1335 2.414952 224.4393 2.734256 -4.305740 
3.648034 
1 1 1 3   16  11 o 408.2286 3.298718  34978.29       538.9639 34847.34       
667.4185 35223.74       913.7776 407.2236 3.903790 409.2336 5.318513 -2.010071 
6.597435 
1 1 1 3   16  12 o 78.97932 1.968925  1295.577       64.57903 1405.740       
100.4279 1217.909       84.32512 81.80783 2.924022 76.15082 2.637567 5.657013 
3.937850 
1 1 1 3   16  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   16  14 o 190.9216 2.438098  7545.018       171.7342 7898.611       
339.6327 7423.556       199.0567 193.8388 4.173398 188.0045 2.521910 5.834290 
4.876195 
1 1 1 3   16  15 o 390.3243 5.365496  32215.87       862.7331 31780.01       
1352.945 32514.56       1119.983 387.8956 8.307808 392.7529 6.792239 -4.857330 
10.73099 
1 1 1 3   16  16 o 94.07474 2.071343  1831.035       80.33238 2004.320       
128.5005 1719.866       102.9239 97.66695 3.133851 90.48254 2.709396 7.184410 
4.142686 
1 1 1 3   16  17 o 132.1049 2.270567  3667.357       124.6313 3669.718       
190.4478 3665.590       164.8260 132.1312 3.433141 132.0787 2.972447 
0.5253601E-01  4.541134 
1 1 1 3   16  18 o 208.1113 2.115790  9098.727       184.7062 9023.805       
255.5469 9180.685       267.2758 207.2189 2.937394 209.0037 3.045978 -1.784775 
4.231580 
1 1 1 3   16  19 o 134.2952 2.052064  3786.540       113.2005 3810.661       
180.0090 3770.761       145.5922 134.6313 3.184704 133.9591 2.588730 0.6722260 
4.104128 
1 1 1 3   16  20 o 252.4370 3.650441  13278.33       372.5384 14029.75       
624.2753 12862.74       464.2658 257.7705 5.768515 247.1034 4.475165 10.66707 
7.300881 
1 1 1 3   16  21 o 169.7308 2.510010  6053.833       178.6535 5881.161       
245.6081 6247.845       260.3437 167.1707 3.499481 172.2909 3.599199 -5.120148 
5.020020 
1 1 1 3   16  22 o 35.01495 3.255088  262.5368       46.94384 206.6694       
66.99238 316.4344       65.80088 31.28004 5.101280 38.74985 4.044666 -7.469809 
6.510175 
1 1 1 3   16  23 o 185.8906 2.482344  7220.673       191.3557 6933.493       
249.5825 7630.250       298.0612 181.4808 3.275703 190.3005 3.730669 -8.819687 
4.964687 
1 1 1 3   16  24 o 75.61523 2.340070  1200.309       74.15343 1304.862       
107.9501 1106.897       102.0371 78.72679 3.266042 72.50366 3.352117 6.223129 
4.680141 
1 1 1 3   16  25 o 140.1540 1.794816  4116.416       105.0958 3995.003       
140.9385 4268.484       157.7310 137.8438 2.435361 142.4642 2.637135 -4.620377 
3.589633 
1 1 1 3   16  26 o 122.7760 2.237686  3173.234       115.3400 3203.677       
163.2708 3142.906       162.9604 123.3652 3.152368 122.1869 3.176717 1.178299 
4.475372 
1 1 1 3   16  27 o 27.76581 4.608701  166.8927       58.56518 272.5960       
82.93862 61.77351       82.70919 35.85994 5.508944 19.67169 7.389996 16.18825 
9.217402 
1 1 1 3   16  28 o 49.23059 3.162771  517.0625       63.56138 676.7412       
92.03710 371.4651       87.88529 56.60683 3.872712 41.85435 5.001458 14.75247 
6.325542 
1 1 1 3   16  29 o 37.76331 3.983693  304.6900       63.02792 284.9023       
89.67729 324.0063       88.60233 36.52645 5.847847 39.00017 5.411276 -2.473717 
7.967385 
1 1 1 3   16  30 o 36.87797 4.314446  313.2277       61.19395 157.6254       
85.98451 472.9267       87.10906 26.56517 7.424741 47.19078 4.396704 -20.62561 
8.628893 
1 1 1 3   16  31 o 54.69901 3.667901  632.8447       83.60680 702.8483       
128.1315 580.9402       110.3310 57.27288 5.328780 52.12512 5.041635 5.147762 
7.335801 
1 1 1 3   16  32 o 53.73706 4.206659  621.9965       94.40887 661.4348       
142.4519 591.1065       126.0722 55.18982 6.147951 52.28430 5.743399 2.905518 
8.413319 
1 1 1 3   16  33 o 19.84043 5.905702  25.71752       84.11311 0.4787974      
125.4258 46.34501       113.3904 19.29608 8.368302 20.38478 8.335513 -1.088707 
11.81140 
1 1 1 3   16  34 o 55.80504 3.943597  685.7062       91.66422 645.6622       
135.7787 719.2401       124.2524 54.12855 5.974839 57.48153 5.148701 -3.352974 
7.887193 
1 1 1 3   16  35 o 67.23911 3.586194  985.1966       100.5961 1032.974       
152.3589 948.2715       133.9426 68.55236 5.293787 65.92586 4.839316 2.626503 
7.172389 
1 1 1 3   16  36 o 60.65425 3.902890  816.0313       99.18440 884.0438       
145.5275 757.0338       135.5403 63.01683 5.500596 58.29168 5.538381 4.725151 
7.805781 
1 1 1 3   16  37 o 31.51755 6.492188  253.9754       91.83515 319.5307       
137.3930 201.0340       123.4690 35.01041 9.219370 28.02470 9.143151 6.985706 
12.98438 
1 1 1 3   16  38 o 53.23520 4.154268  639.8080       90.76395 710.4276       
147.1655 596.4556       115.3054 55.16667 6.354045 51.30372 5.353305 3.862946 
8.308536 
1 1 1 3   16  39 o 78.32832 3.640237  1351.834       112.5620 1585.045       
201.5688 1246.152       135.6902 82.05322 5.851251 74.60344 4.332223 7.449776 
7.280474 
1 1 1 3   16  40 o 33.31558 6.051192  305.5583       81.71850 354.1869       
141.0527 280.9904       100.2582 34.19668 9.493949 32.43447 7.505508 1.762207 
12.10238 
1 1 1 3   17  0  f 54.45128 1.696643  623.3737       38.73534 638.5117       
53.83522 607.1245       55.77642 55.13828 2.325597 53.76428 2.471030 1.373997 
3.393286 
1 1 1 3   17  1  o 324.1553 3.695860  22124.46       502.5674 21594.61       
719.7938 22628.46       702.0149 320.3475 5.351897 327.9630 5.098502 -7.615448 
7.391720 
1 1 1 3   17  2  o 141.7278 2.207552  4196.212       130.5724 4017.150       
173.9062 4427.592       197.6857 138.2860 2.995421 145.1697 3.243547 -6.883713 
4.415104 
1 1 1 3   17  3  o 323.6341 4.425527  22110.89       598.5402 21374.76       
881.4343 22740.79       815.3502 318.5695 6.590324 328.6986 5.908366 -10.12909 
8.851054 
1 1 1 3   17  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   17  5  o 130.5421 2.219418  3563.602       121.0986 3744.468       
181.6328 3418.866       162.4815 133.5074 3.240485 127.5768 3.033565 5.930595 
4.438835 
1 1 1 3   17  6  o 24.34269 3.425274  125.5726       35.53244 44.64929       
47.67437 226.7020       53.29504 15.84021 5.656208 32.84517 3.864883 -17.00496 
6.850548 
1 1 1 3   17  7  o 285.8678 3.243893  17206.74       388.2542 16783.29       
566.5041 17581.81       533.1602 282.5282 4.775979 289.2074 4.391060 -6.679260 
6.487787 
1 1 1 3   17  8  o 118.0135 1.528072  2923.139       75.68422 2975.838       
108.7797 2873.693       105.3690 119.0437 2.176520 116.9834 2.145408 2.060349 
3.056144 
1 1 1 3   17  9  o 76.23726 1.785401  1217.494       57.03795 1118.012       
78.66705 1327.760       82.82084 72.96158 2.568146 79.51294 2.480978 -6.551361 
3.570802 
1 1 1 3   17  10 o 161.7143 2.000259  5494.515       135.7247 5443.102       
194.7954 5543.024       189.2139 160.9770 2.882278 162.4516 2.774279 -1.474548 
4.000518 
1 1 1 3   17  11 o 41.49651 2.594890  361.4768       44.95620 311.8383       
62.25498 415.5700       64.98841 38.52034 3.849506 44.47266 3.480678 -5.952320 
5.189780 
1 1 1 3   17  12 o 214.5935 3.173442  9631.980       281.8459 9977.133       
440.4905 9392.721       366.7465 217.8047 4.817152 211.3823 4.132553 6.422440 
6.346885 
1 1 1 3   17  13 o 240.9805 5.273248  11868.76       486.3052 13174.10       
917.7739 11359.20       573.4218 249.6878 8.755067 232.2732 5.880254 17.41458 
10.54650 
1 1 1 3   17  14 o 251.2812 3.531928  13234.19       366.8763 13574.69       
574.4993 12999.70       476.7493 253.9522 5.388385 248.6103 4.567642 5.341888 
7.063855 
1 1 1 3   17  15 f 138.5059 2.076183  4049.581       119.3112 3898.915       
181.4086 4164.434       158.3876 136.2147 3.172160 140.7972 2.679466 -4.582535 
4.152366 
1 1 1 3   17  16 o 159.6416 2.246085  5326.173       146.4691 5483.282       
237.8342 5230.182       185.9058 161.5076 3.507538 157.7757 2.806557 3.731964 
4.492169 
1 1 1 3   17  17 o 109.3800 2.024250  2510.558       91.23006 2532.393       
143.8156 2495.855       118.0143 109.7666 3.120734 108.9934 2.579025 0.7732010 
4.048500 
1 1 1 3   17  18 o 177.2609 2.547088  6601.755       187.9279 6659.149       
285.6411 6557.951       249.5421 177.9181 3.824032 176.6036 3.365621 1.314514 
5.094176 
1 1 1 3   17  19 o 124.8635 2.010793  3270.628       104.1005 3319.192       
160.9181 3235.676       136.5144 125.6460 3.050542 124.0809 2.620563 1.565132 
4.021586 
1 1 1 3   17  20 o 68.55043 2.216747  985.9344       63.41270 1009.568       
95.55172 967.3326       84.77122 69.27632 3.285298 67.82454 2.977026 1.451782 
4.433494 
1 1 1 3   17  21 o 174.7786 2.674904  6408.007       191.5650 6547.920       
307.8699 6319.615       244.7061 176.2702 4.160153 173.2870 3.363566 2.983246 
5.349808 
1 1 1 3   17  22 o 175.0771 2.801272  6433.749       204.5707 6684.452       
309.7838 6239.878       272.4181 178.0562 4.144030 172.0979 3.770347 5.958237 
5.602544 
1 1 1 3   17  23 o 138.2426 2.195708  4016.322       127.3070 3895.327       
175.2810 4151.410       185.2074 136.0466 3.068799 140.4387 3.141179 -4.392105 
4.391416 
1 1 1 3   17  24 o 142.2819 1.733205  4249.876       103.3184 4354.783       
151.8129 4159.365       141.0127 143.9090 2.512706 140.6547 2.387950 3.254333 
3.466410 
1 1 1 3   17  25 o 118.6750 2.257805  2954.869       112.2986 2793.847       
153.4639 3140.482       164.7661 115.2081 3.172811 122.1419 3.213100 -6.933823 
4.515610 
1 1 1 3   17  26 o 151.8623 2.505926  4846.303       159.3053 5017.060       
236.0121 4703.395       215.9109 154.2973 3.643318 149.4273 3.441642 4.870026 
5.011852 
1 1 1 3   17  27 f 197.4332 2.054518  8207.411       170.2282 8179.244       
244.0281 8234.107       237.5795 197.0945 2.949080 197.7719 2.861314 
-0.6774445     4.109037 
1 1 1 3   17  28 o 125.1960 2.437393  3307.083       128.0938 3314.733       
182.8588 3299.712       179.4921 125.3329 3.475137 125.0591 3.418621 0.2737808 
4.874787 
1 1 1 3   17  29 o 95.00182 2.175273  1905.127       86.69969 1871.092       
124.2798 1937.394       121.0094 94.16430 3.143658 95.83935 3.007435 -1.675049 
4.350545 
1 1 1 3   17  30 o 111.1333 2.198637  2595.735       102.3321 2390.450       
139.3850 2835.759       150.7174 106.3876 3.120656 115.8791 3.097986 -9.491470 
4.397273 
1 1 1 3   17  31 o 69.61774 3.556800  1033.219       103.7335 1095.173       
152.9801 980.4856       141.1371 71.52557 5.094419 67.70991 4.964896 3.815666 
7.113600 
1 1 1 3   17  32 o 44.36662 4.444077  433.7759       81.69425 376.6278       
119.6097 483.7467       111.8469 41.43658 6.875486 47.29665 5.632672 -5.860073 
8.888155 
1 1 1 3   17  33 o 80.10135 3.072723  1385.708       102.6229 1263.416       
149.4128 1494.920       141.1969 76.60941 4.645441 83.59328 4.023230 -6.983879 
6.145445 
1 1 1 3   17  34 o 93.27296 3.058134  1877.961       119.3101 1841.565       
175.4012 1909.303       162.7662 92.31470 4.525670 94.23122 4.114249 -1.916527 
6.116268 
1 1 1 3   17  35 o 50.60877 4.575488  584.6956       95.46323 489.9933       
139.5043 668.0956       130.9154 46.30558 7.175884 54.91195 5.678648 -8.606369 
9.150976 
1 1 1 3   17  36 o 69.65202 3.704191  1064.833       107.5643 1163.845       
164.2930 990.5522       142.3035 72.33546 5.409894 66.96857 5.061342 5.366890 
7.408383 
1 1 1 3   17  37 o 83.31804 3.127569  1518.123       108.1799 1573.553       
166.9590 1478.012       142.0263 84.37052 4.713463 82.26555 4.112178 2.104973 
6.255137 
1 1 1 3   17  38 o 38.04359 5.707514  355.0700       87.23796 452.3299       
139.4203 292.4879       111.8366 42.22612 8.155481 33.86106 7.986928 8.365059 
11.41503 
1 1 1 3   17  39 o 25.17267 6.112311  176.4309       78.77589 133.9545       
137.7327 197.0811       96.03419 23.20107 9.301491 27.14427 7.932444 -3.943199 
12.22462 
1 1 1 3   17  40 o 53.45453 4.246827  675.2388       90.03136 748.4105       
157.1584 639.4949       109.8417 54.44281 6.875721 52.46625 4.986644 1.976559 
8.493654 
1 1 1 3   18  0  o 111.7781 1.765417  2621.616       82.33257 2651.266       
123.8487 2598.135       110.2123 112.3396 2.625909 111.2166 2.360379 1.123009 
3.530833 
1 1 1 3   18  1  o 93.73915 1.799594  1812.757       69.06861 1706.103       
87.31990 1991.011       112.8872 90.12753 2.307687 97.35078 2.762017 -7.223259 
3.599188 
1 1 1 3   18  2  o 189.3839 2.609329  7542.266       207.1608 7475.193       
300.5471 7602.979       285.9377 188.5741 3.796223 190.1937 3.580934 -1.619659 
5.218659 
1 1 1 3   18  3  o 211.6892 2.905746  9359.260       249.6283 9184.228       
313.5981 9661.984       412.4187 209.0457 3.573166 214.3327 4.583223 -5.286957 
5.811493 
1 1 1 3   18  4  o 244.4889 3.729272  12618.46       357.3131 12467.24       
628.9073 12690.54       434.1985 243.2948 6.157083 245.6830 4.209538 -2.388184 
7.458543 
1 1 1 3   18  5  o 260.1373 5.567022  14243.24       608.0013 0.000000       
0.000000 14243.24       608.0013 ?        ?        260.1373 5.567022 ? ? 
1 1 1 3   18  6  o 52.68410 3.143987  583.1355       69.54073 583.1355       
69.54073 0.000000       0.000000 52.68410 3.143987 ?        ?        ? ? 
1 1 1 3   18  7  o 181.9465 2.832072  6844.999       201.1948 7265.618       
362.8338 6658.243       241.7692 185.8744 4.649532 178.0186 3.234868 7.855774 
5.664144 
1 1 1 3   18  8  o 234.2237 2.129263  11445.46       194.0464 11315.83       
233.3362 11736.14       349.4130 232.1210 2.394357 236.3265 3.521662 -4.205551 
4.258526 
1 1 1 3   18  9  o 183.8060 2.252667  7090.489       171.0646 7055.607       
222.6521 7140.746       267.2531 183.2687 2.893740 184.3434 3.453157 -1.074646 
4.505333 
1 1 1 3   18  10 o 70.17993 1.946098  1034.950       57.31865 1055.115       
80.52149 1014.235       81.61112 70.87397 2.706114 69.48590 2.797523 1.388069 
3.892196 
1 1 1 3   18  11 o 192.8904 2.902916  7756.434       226.5168 8065.210       
377.7415 7583.053       283.0560 195.8258 4.594580 189.9550 3.549300 5.870789 
5.805833 
1 1 1 3   18  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   18  13 o 98.35129 1.860262  2035.186       75.98988 2009.361       
115.9008 2054.657       100.6397 97.79798 2.822785 98.90459 2.423672 -1.106613 
3.720524 
1 1 1 3   18  14 o 185.3408 2.851156  7228.963       221.3319 7143.229       
323.2927 7304.594       303.6509 184.2936 4.178367 186.3879 3.880412 -2.094284 
5.702311 
1 1 1 3   18  15 o 21.06180 4.419015  92.52410       45.60007 33.61369       
67.78671 141.2174       61.62871 16.74273 6.587584 25.38087 5.891904 -8.638145 
8.838031 
1 1 1 3   18  16 o 134.9946 1.813089  3803.396       100.4452 3946.777       
161.2985 3712.575       128.3748 137.0475 2.803369 132.9417 2.300062 4.105804 
3.626178 
1 1 1 3   18  17 o 233.8806 2.441434  11551.96       234.1120 11269.86       
371.2769 11738.16       301.6359 231.4538 3.820804 236.3075 3.040371 -4.853699 
4.882868 
1 1 1 3   18  18 o 189.5277 2.761994  7579.933       212.7735 7478.945       
346.2830 7641.188       269.6899 188.4484 4.376831 190.6070 3.370133 -2.158569 
5.523988 
1 1 1 3   18  19 o 45.73903 2.607323  435.7315       49.80664 492.2273       
75.05638 391.2786       66.57780 48.36037 3.696742 43.11769 3.677858 5.242676 
5.214647 
1 1 1 3   18  20 o 188.9427 2.981057  7503.282       234.6458 7679.589       
356.4200 7368.415       311.7304 190.8548 4.448156 187.0305 3.969976 3.824356 
5.962114 
1 1 1 3   18  21 o 40.32648 3.310239  343.6482       55.53440 340.0104       
84.17063 346.4526       73.90242 40.12209 4.996871 40.53086 4.343041 
-0.4087715     6.620478 
1 1 1 3   18  22 o 59.33628 2.489929  729.6326       61.51080 867.3696       
93.76380 625.5729       81.49881 64.17554 3.480060 54.49701 3.562047 9.678532 
4.979859 
1 1 1 3   18  23 f 143.5047 2.383190  4280.222       142.0261 3980.347       
185.2462 4707.863       221.2178 137.5066 3.208831 149.5027 3.524457 -11.99603 
4.766381 
1 1 1 3   18  24 o 26.59681 4.684088  155.8786       54.24845 220.0072       
76.93613 92.46920       76.50349 31.71220 5.997039 21.48142 7.197099 10.23077 
9.368176 
1 1 1 3   18  25 o 32.71253 4.272092  232.4452       57.07510 197.5131       
80.99221 266.9054       80.44335 29.91105 6.625283 35.51400 5.395250 -5.602951 
8.544185 
1 1 1 3   18  26 o 136.4311 2.169026  3913.901       124.0663 4005.601       
181.0926 3832.791       170.3153 137.9274 3.127313 134.9348 3.006428 2.992554 
4.338052 
1 1 1 3   18  27 o 74.09757 2.298975  1156.674       71.42390 1147.668       
98.33756 1166.730       103.9099 73.79941 3.173859 74.39574 3.326826 
-0.5963287     4.597951 
1 1 1 3   18  28 o 78.42218 2.333174  1297.336       76.77725 1290.313       
106.7176 1304.873       110.5422 78.20810 3.250165 78.63625 3.348316 
-0.4281540     4.666347 
1 1 1 3   18  29 o 30.88425 4.513756  210.2801       60.65277 365.3009       
88.61419 73.64299       83.19409 41.41609 5.096303 20.35242 7.451420 21.06367 
9.027512 
1 1 1 3   18  30 o 144.6898 2.683708  4373.754       154.7367 4635.788       
267.7866 4242.407       189.5927 147.6950 4.318611 141.6845 3.187280 6.010468 
5.367416 
1 1 1 3   18  31 o 61.55707 3.732646  809.8602       96.24587 867.9555       
142.0442 760.5486       130.8663 63.57824 5.321526 59.53590 5.235641 4.042339 
7.465292 
1 1 1 3   18  32 o 22.60486 6.238665  78.70006       85.45860 102.3837       
127.3053 59.27328       115.2982 23.99049 9.125905 21.21923 8.508914 2.771263 
12.47733 
1 1 1 3   18  33 o 69.66438 3.219373  1042.419       93.80785 1071.129       
139.5479 1018.749       126.7083 70.47414 4.716443 68.85461 4.383219 1.619537 
6.438745 
1 1 1 3   18  34 f 121.8961 3.595320  3238.726       183.7227 3248.841       
267.2597 3229.663       252.9747 121.9547 5.219828 121.8376 4.945574 0.1170425 
7.190640 
1 1 1 3   18  35 o 60.95479 3.795071  824.3418       95.32893 792.6424       
147.7872 846.9294       124.7520 59.63522 5.902760 62.27435 4.771550 -2.639133 
7.590142 
1 1 1 3   18  36 o 84.76802 3.382239  1601.341       117.9435 1449.578       
180.1486 1715.193       156.0330 80.75308 5.313649 88.78296 4.186084 -8.029877 
6.764478 
1 1 1 3   18  37 o 52.82549 4.197080  625.4953       90.37976 681.8815       
148.7430 592.4922       113.7961 54.23939 6.531951 51.41158 5.272148 2.827808 
8.394160 
1 1 1 3   18  38 o 34.95726 5.473975  295.2900       77.43156 399.4167       
124.3443 229.3365       98.96095 39.94278 7.689354 29.97175 7.793037 9.971025 
10.94795 
1 1 1 3   18  39 o 46.78075 4.632761  523.8470       85.41827 559.4767       
149.3192 506.5161       104.1410 46.83416 7.594061 46.72734 5.308497 0.1068268 
9.265522 
1 1 1 3   19  0  o 141.2733 2.048234  4204.375       121.1682 4373.255       
167.6641 4019.750       175.3066 144.2572 2.768368 138.2894 3.019467 5.967743 
4.096467 
1 1 1 3   19  1  o 198.4130 2.664415  8012.490       195.3628 7734.033       
225.7157 8844.024       390.0515 191.8461 2.802398 204.9799 4.532438 -13.13374 
5.328830 
1 1 1 3   19  2  o 131.5089 2.047540  3634.233       113.0423 3627.005       
160.6523 3641.322       159.0909 131.3786 2.912618 131.6392 2.878599 
-0.2606354     4.095079 
1 1 1 3   19  3  o 90.51057 1.789953  1720.136       67.80283 1710.934       
92.17739 1730.984       100.0854 90.24949 2.432768 90.77164 2.626284 
-0.5221558     3.579906 
1 1 1 3   19  4  o 106.5740 2.054536  2381.382       91.79716 2213.652       
126.8617 2565.727       132.9971 102.6420 2.943925 110.5061 2.866666 -7.864090 
4.109071 
1 1 1 3   19  5  o 234.2023 3.319656  11539.96       326.3935 11457.51       
458.7977 11624.46       464.4341 233.3567 4.682976 235.0480 4.706398 -1.691238 
6.639311 
1 1 1 3   19  6  o 137.2510 2.242608  3946.516       128.3168 3861.825       
170.7729 4056.331       194.4607 135.5724 3.000329 138.9295 3.333944 -3.357147 
4.485216 
1 1 1 3   19  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   19  8  o 162.2912 2.830775  5552.211       191.8417 5387.242       
284.0877 5690.504       260.1060 160.0543 4.227719 164.5282 3.765574 -4.473892 
5.661551 
1 1 1 3   19  9  o 119.7541 1.725608  3015.875       85.75282 3036.380       
113.1978 2988.259       131.3658 120.2381 2.242420 119.2702 2.623442 0.9678802 
3.451217 
1 1 1 3   19  10 o 189.8219 2.457233  7473.596       189.8609 7184.956       
238.5763 7972.104       313.5350 184.9156 3.073087 194.7281 3.835115 -9.812561 
4.914465 
1 1 1 3   19  11 o 76.88698 1.984619  1211.493       62.63585 1384.228       
102.1796 1107.512       79.27739 81.16488 2.998590 72.60907 2.600636 8.555809 
3.969237 
1 1 1 3   19  12 o 87.82348 4.700172  1623.139       173.3019 1623.139       
173.3019 0.000000       0.000000 87.82348 4.700172 ?        ?        ? ? 
1 1 1 3   19  13 o 64.94301 2.114903  889.7663       57.41774 836.8328       
83.52760 937.1871       79.05849 63.10077 3.152945 66.78525 2.819610 -3.684475 
4.229806 
1 1 1 3   19  14 o 153.9601 2.613830  4946.019       167.2066 5243.926       
258.6031 4732.004       219.1869 157.8975 3.901033 150.0227 3.479996 7.874786 
5.227661 
1 1 1 3   19  15 o 162.8056 1.880490  5564.974       128.2209 5506.107       
174.8936 5633.384       188.5377 161.8806 2.573358 163.7305 2.742772 -1.849930 
3.760979 
1 1 1 3   19  16 o 70.55721 2.090984  1049.248       61.66491 1013.328       
90.69760 1080.126       84.09131 69.42609 3.111675 71.68832 2.793983 -2.262230 
4.181968 
1 1 1 3   19  17 o 167.1444 2.229557  5839.267       150.6993 6005.301       
250.8824 5745.543       188.4939 168.9548 3.536885 165.3341 2.715537 3.620651 
4.459114 
1 1 1 3   19  18 o 170.2927 2.200194  6086.610       152.7464 6150.765       
248.2210 6047.510       193.7810 170.9757 3.458000 169.6096 2.721333 1.366089 
4.400389 
1 1 1 3   19  19 f 201.9606 2.222812  8556.498       184.0971 8692.772       
294.7990 8469.378       235.7082 203.2296 3.455096 200.6915 2.797479 2.538116 
4.445624 
1 1 1 3   19  20 o 41.01617 3.209899  364.4226       53.74671 280.8923       
78.68125 437.4973       73.59235 36.46245 5.139803 45.56990 3.846587 -9.107456 
6.419798 
1 1 1 3   19  21 o 157.9051 2.205662  5266.503       145.6020 4991.273       
212.4249 5510.392       199.9641 153.9775 3.286012 161.8327 2.943112 -7.855133 
4.411325 
1 1 1 3   19  22 o 152.7125 1.797415  4902.271       112.7670 4913.688       
179.0611 4894.766       145.1719 152.8320 2.790668 152.5930 2.266047 0.2389374 
3.594829 
1 1 1 3   19  23 f 144.3353 2.270700  4347.984       134.8261 4567.819       
215.5095 4206.609       172.8248 147.2718 3.485523 141.3988 2.911261 5.872986 
4.541399 
1 1 1 3   19  24 o 126.4088 2.175309  3361.668       115.4230 3289.581       
161.3696 3437.183       165.1620 125.0220 3.074373 127.7956 3.078331 -2.773628 
4.350619 
1 1 1 3   19  25 o 115.4606 1.756165  2802.927       85.11662 2834.891       
121.6448 2772.267       119.1404 116.1044 2.495548 114.8168 2.471580 1.287560 
3.512331 
1 1 1 3   19  26 o 124.5387 2.033336  3244.203       105.9614 3002.406       
143.0022 3538.598       157.7910 119.4284 2.852043 129.6489 2.898909 -10.22044 
4.066672 
1 1 1 3   19  27 o 55.92764 2.862620  663.3100       66.88906 589.5068       
94.72021 736.7255       94.47113 52.79221 4.273601 59.06306 3.809818 -6.270855 
5.725240 
1 1 1 3   19  28 o 126.2770 2.145977  3307.203       109.8452 3159.244       
137.0267 3573.249       183.7442 122.4577 2.665263 130.0962 3.364111 -7.638412 
4.291954 
1 1 1 3   19  29 o 52.35039 2.758188  584.4471       59.86306 476.5543       
84.24224 694.5026       85.08231 47.39448 4.233731 57.30630 3.536372 -9.911827 
5.516376 
1 1 1 3   19  30 o 96.58102 3.302491  1983.597       131.5240 2013.540       
206.9957 1963.324       170.3265 97.05640 5.079936 96.10566 4.221379 0.9507370 
6.604982 
1 1 1 3   19  31 o 87.14944 2.601381  1601.158       93.31715 1672.228       
148.6588 1554.942       119.8782 88.64339 3.994525 85.65548 3.333542 2.987915 
5.202762 
1 1 1 3   19  32 o 29.12246 6.288881  187.2762       86.46081 269.2380       
129.1811 120.7670       116.3682 33.77769 8.960255 24.46724 8.826886 9.310452 
12.57776 
1 1 1 3   19  33 o 51.22211 4.376465  583.0074       91.98423 551.3008       
143.6706 605.0328       119.7444 49.74703 6.878944 52.69720 5.412385 -2.950169 
8.752930 
1 1 1 3   19  34 o 92.58392 3.170277  1820.256       120.9385 2038.029       
194.2990 1682.524       154.5201 96.82600 4.779689 88.34184 4.166195 8.484161 
6.340553 
1 1 1 3   19  35 o 80.53436 3.215018  1377.619       104.7252 1546.416       
177.1019 1286.860       129.8624 83.90337 5.027649 77.16535 4.008503 6.738022 
6.430035 
1 1 1 3   19  36 o 66.45113 3.359702  1006.576       87.43491 860.9902       
146.6414 1086.885       108.9126 61.95972 5.637264 70.94253 3.656726 -8.982807 
6.719404 
1 1 1 3   19  37 o 37.61352 5.263204  338.8322       78.26204 356.9215       
131.4702 328.9037       97.39950 37.38868 8.556498 37.83836 6.131200 
-0.4496727     10.52641 
1 1 1 3   19  38 o 59.03717 3.779013  735.0738       88.52978 986.5714       
160.1843 624.4705       106.2276 65.31173 5.841841 52.76260 4.795482 12.54913 
7.558026 
1 1 1 3   19  39 o 31.17268 6.032744  282.6934       81.52235 230.1306       
142.5215 308.2543       99.38680 27.58790 9.786788 34.75747 7.056541 -7.169561 
12.06549 
1 1 1 3   20  0  o 155.3777 2.182531  5024.975       136.7704 4895.860       
170.0963 5261.147       230.0495 152.6184 2.654662 158.1370 3.465045 -5.518616 
4.365062 
1 1 1 3   20  1  o 164.5196 2.298304  5590.065       148.2519 5415.947       
178.6551 5975.102       265.6708 160.5287 2.650841 168.5105 3.755242 -7.981720 
4.596608 
1 1 1 3   20  2  o 73.78979 1.799660  1143.027       55.72221 1094.467       
77.52373 1194.931       80.14799 72.16959 2.558595 75.41000 2.531540 -3.240417 
3.599319 
1 1 1 3   20  3  o 236.9392 3.405774  11849.25       329.5648 11931.66       
420.7529 11718.44       530.1227 238.1021 4.209058 235.7763 5.355466 2.325806 
6.811548 
1 1 1 3   20  4  o 218.9541 3.326185  10048.53       302.8447 9776.563       
399.1472 10417.50       464.9093 215.5188 4.411325 222.3894 4.979380 -6.870636 
6.652369 
1 1 1 3   20  5  o 59.38213 2.276828  733.8557       56.45723 845.1986       
84.50485 644.0914       75.87557 63.41107 3.174224 55.35319 3.264979 8.057880 
4.553657 
1 1 1 3   20  6  o 128.0865 2.193921  3409.459       114.0940 3301.857       
143.0251 3597.757       189.2021 125.3571 2.717592 130.8160 3.444975 -5.458908 
4.387842 
1 1 1 3   20  7  o 125.3719 2.282702  3300.128       119.8853 3250.569       
163.6327 3357.555       176.1445 124.3617 3.134040 126.3821 3.319744 -2.020439 
4.565403 
1 1 1 3   20  8  o 90.76510 2.081796  1733.543       79.13313 1767.663       
108.7841 1695.197       115.3244 91.71881 2.825062 89.81139 3.058516 1.907425 
4.163592 
1 1 1 3   20  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   20  10 o 184.8903 3.548883  6935.688       229.9507 7682.612       
496.8446 6732.080       259.4060 190.8362 6.201276 178.9444 3.452892 11.89177 
7.097766 
1 1 1 3   20  11 f 105.3975 3.154753  2334.974       139.5965 0.000000       
0.000000 2334.974       139.5965 ?        ?        105.3975 3.154753 ? ? 
1 1 1 3   20  12 o 85.56877 1.979171  1527.345       69.73856 1595.504       
111.0106 1482.908       89.63371 87.12604 3.034852 84.01151 2.541287 3.114532 
3.958341 
1 1 1 3   20  13 o 77.72998 2.018912  1265.981       65.66892 1315.149       
97.59509 1225.302       88.77061 79.10217 2.938736 76.35780 2.769089 2.744377 
4.037824 
1 1 1 3   20  14 o 77.14047 2.040468  1248.678       65.75723 1271.355       
98.38580 1230.370       88.40274 77.76785 3.013377 76.51310 2.752016 1.254745 
4.080935 
1 1 1 3   20  15 o 227.8431 2.337816  10918.12       223.6019 10950.57       
314.1175 10884.79       318.3671 228.1898 3.278815 227.4964 3.333302 0.6934204 
4.675631 
1 1 1 3   20  16 o 143.8878 2.161591  4346.104       128.0535 4391.656       
202.4333 4315.718       165.3365 144.4915 3.337035 143.2842 2.748473 1.207230 
4.323183 
1 1 1 3   20  17 o 147.7555 1.807291  4609.153       110.1639 4476.738       
171.2931 4702.556       143.8629 145.9184 2.796087 149.5926 2.290656 -3.674179 
3.614583 
1 1 1 3   20  18 o 307.0083 3.003476  19855.29       378.0900 19915.95       
603.7234 19816.15       484.9723 307.2610 4.680064 306.7557 3.765697 0.5052490 
6.006952 
1 1 1 3   20  19 o 87.60097 2.151838  1622.746       78.72320 1503.414       
114.5144 1729.675       108.3999 84.51949 3.227188 90.68246 2.847258 -6.162971 
4.303675 
1 1 1 3   20  20 o 77.58118 2.262659  1266.636       73.59692 1272.016       
107.0209 1261.808       101.3721 77.73215 3.279361 77.43021 3.118381 0.3019333 
4.525319 
1 1 1 3   20  21 o 119.3052 1.957802  2997.336       97.81194 2947.616       
142.8900 3041.176       134.1749 118.3634 2.875449 120.2471 2.657772 -1.883690 
3.915605 
1 1 1 3   20  22 o 159.6602 2.192807  5324.624       141.7400 5515.958       
235.7084 5216.246       177.3976 161.8380 3.469091 157.4825 2.683098 4.355530 
4.385613 
1 1 1 3   20  23 o 120.5040 2.453606  3051.914       123.1659 3107.684       
186.9372 3009.133       163.7272 121.4521 3.666164 119.5560 3.261899 1.896065 
4.907213 
1 1 1 3   20  24 o 89.59448 2.408047  1685.708       89.57626 1722.882       
137.9605 1658.615       117.7795 90.42558 3.633997 88.76338 3.160510 1.662193 
4.816093 
1 1 1 3   20  25 o 146.4751 2.123035  4507.427       130.0346 4418.213       
175.4338 4616.205       193.7157 144.8860 2.884083 148.0642 3.116275 -3.178146 
4.246070 
1 1 1 3   20  26 o 106.1955 2.228743  2377.806       99.30235 2460.178       
139.8183 2293.964       141.0594 108.0613 3.081873 104.3297 3.220440 3.731636 
4.457485 
1 1 1 3   20  27 o 53.71395 2.988294  609.0834       67.22277 551.7272       
92.74667 672.5623       97.57143 51.04603 4.327703 56.38187 4.121965 -5.335838 
5.976588 
1 1 1 3   20  28 o 119.0273 2.188932  2960.669       108.4959 2777.158       
142.9434 3210.069       166.6409 114.7437 2.967264 123.3108 3.218856 -8.567101 
4.377863 
1 1 1 3   20  29 o 45.41113 3.071308  437.4255       58.22715 444.4315       
87.37488 431.8286       78.09550 45.71101 4.552887 45.11125 4.123464 0.5997581 
6.142617 
1 1 1 3   20  30 o 140.6491 3.602514  4207.633       201.8396 4321.553       
346.6918 4149.223       248.2485 141.6580 5.829394 139.6402 4.234452 2.017807 
7.205028 
1 1 1 3   20  31 o 153.6956 3.392529  5003.246       201.9379 5227.748       
367.4256 4906.082       241.7184 155.5287 5.627038 151.8624 3.791234 3.666367 
6.785058 
1 1 1 3   20  32 o 18.45497 5.594092  -5.891384      75.73895 57.74269       
125.5705 -42.27947      94.95603 21.63652 8.796988 15.27341 6.912920 6.363113 
11.18818 
1 1 1 3   20  33 o 111.8578 3.126039  2649.308       133.7283 2814.536       
249.5142 2582.719       158.3996 113.6790 5.228006 110.0367 3.428765 3.642342 
6.252078 
1 1 1 3   20  34 o 59.85870 3.263368  753.1860       79.43645 879.4000       
133.3947 683.8347       98.88078 63.43985 5.008382 56.27756 4.185021 7.162289 
6.526737 
1 1 1 3   20  35 o 18.21434 5.478169  25.16964       71.87232 -1.422247      
120.1118 40.00181       89.70434 18.35981 8.074663 18.06887 7.405481 0.2909374 
10.95634 
1 1 1 3   20  36 o 19.99913 5.702142  63.05026       75.47189 -13.42671      
132.6889 99.62468       91.76094 18.55191 8.293158 21.44634 7.828234 -2.894438 
11.40428 
1 1 1 3   20  37 o 29.37371 6.120846  195.5176       79.29111 337.0179       
138.7915 126.9585       96.60886 35.68968 9.205380 23.05775 8.069695 12.63193 
12.24169 
1 1 1 3   20  38 o 29.17330 6.201053  231.0083       80.37934 218.8984       
140.7612 236.8677       97.91291 27.96816 9.745227 30.37844 7.670905 -2.410288 
12.40211 
1 1 1 3   20  39 o 38.00346 4.818873  362.6809       69.92476 359.6651       
121.4360 364.1768       85.52657 36.40068 8.150498 39.60625 5.143495 -3.205578 
9.637747 
1 1 1 3   21  0  o 86.40642 1.989273  1567.110       71.33549 1590.030       
109.8680 1550.406       93.79504 86.94002 3.010044 85.87282 2.601628 1.067200 
3.978547 
1 1 1 3   21  1  o 92.41242 1.862589  1792.810       72.19737 1904.044       
104.1550 1689.930       100.1668 95.16907 2.606785 89.65578 2.661133 5.513290 
3.725178 
1 1 1 3   21  2  o 154.9150 2.387589  5057.680       154.8973 5188.539       
213.3491 4911.812       225.2508 157.0520 3.235701 152.7780 3.511773 4.273972 
4.775177 
1 1 1 3   21  3  o 172.0636 2.378279  6229.236       171.7243 6182.964       
246.0968 6273.147       239.7376 171.4346 3.419231 172.6926 3.306614 -1.257950 
4.756557 
1 1 1 3   21  4  o 108.4238 1.965843  2432.033       88.22389 2254.333       
113.9555 2697.896       139.3861 103.5666 2.620817 113.2810 2.930781 -9.714401 
3.931686 
1 1 1 3   21  5  o 156.1714 2.654169  5128.254       173.9324 5244.131       
250.9707 5021.162       241.2711 157.8643 3.786694 154.4784 3.720135 3.385941 
5.308338 
1 1 1 3   21  6  o 200.6739 3.352849  8477.228       281.7509 8387.560       
383.9818 8581.817       414.7009 199.5493 4.583334 201.7984 4.894837 -2.249130 
6.705698 
1 1 1 3   21  7  o 120.7632 2.018837  3063.508       102.3254 3152.801       
146.8128 2979.154       142.6949 122.4734 2.855244 119.0529 2.854891 3.420471 
4.037675 
1 1 1 3   21  8  o 171.9020 3.112335  6224.235       222.8951 6204.572       
336.4205 6239.621       297.5828 171.6271 4.668932 172.1769 4.116746 
-0.5497437     6.224671 
1 1 1 3   21  9  o 111.6317 2.231119  2550.009       101.5551 2347.525       
127.0975 2907.576       168.8962 105.6816 2.864567 117.5817 3.421378 -11.90017 
4.462238 
1 1 1 3   21  10 o 131.3142 4.029156  3629.108       222.1288 0.000000       
0.000000 3629.108       222.1288 ?        ?        131.3142 4.029156 ? ? 
1 1 1 3   21  11 o 222.3752 11.19905  10594.80       1045.554 10594.80       
1045.554 0.000000       0.000000 222.3752 11.19905 ?        ?        ? ? 
1 1 1 3   21  12 o 135.9624 3.331242  3891.399       187.5334 3918.421       
290.7534 3872.149       245.4015 136.3242 5.080107 135.6005 4.310593 0.7237091 
6.662485 
1 1 1 3   21  13 o 26.14906 4.244685  141.8319       48.63389 228.4736       
72.99163 72.65775       65.22008 32.90849 5.283068 19.38964 6.645192 13.51885 
8.489369 
1 1 1 3   21  14 o 126.7682 2.276064  3410.703       116.9968 3258.327       
189.8814 3503.957       148.5442 124.4308 3.634759 129.1056 2.740512 -4.674744 
4.552129 
1 1 1 3   21  15 o 168.4626 2.353176  5929.389       160.4675 6125.497       
266.7865 5818.223       200.8640 170.5819 3.725219 166.3432 2.876194 4.238754 
4.706352 
1 1 1 3   21  16 o 125.0626 1.864510  3291.409       97.49157 3252.532       
144.1476 3324.185       132.3540 124.3722 2.760611 125.7531 2.506914 -1.380920 
3.729020 
1 1 1 3   21  17 o 106.9314 2.179550  2408.637       97.02464 2382.373       
146.6307 2429.094       129.4052 106.3960 3.282620 107.4667 2.868129 -1.070663 
4.359101 
1 1 1 3   21  18 o 95.58533 2.253656  1908.979       89.56369 2019.301       
138.0850 1828.862       117.6738 97.93835 3.358263 93.23229 3.006315 4.706062 
4.507311 
1 1 1 3   21  19 o 250.4136 3.949419  13243.67       414.7047 12651.38       
569.6370 13911.59       604.9136 244.4834 5.549704 256.3438 5.620716 -11.86035 
7.898839 
1 1 1 3   21  20 o 169.0900 2.528348  6017.291       177.3474 6059.734       
273.1040 5986.341       233.2087 169.5603 3.836411 168.6197 3.294256 0.9405365 
5.056696 
1 1 1 3   21  21 f 24.91485 4.736954  136.3393       50.76950 149.4364       
71.92174 123.3313       71.67674 26.02536 6.576034 23.80435 6.819877 2.221010 
9.473908 
1 1 1 3   21  22 o 68.65126 2.403473  995.4155       68.72565 967.1999       
103.1030 1017.977       92.19473 67.75851 3.624338 69.54402 3.157675 -1.785515 
4.806946 
1 1 1 3   21  23 o 51.11530 2.940014  543.9949       62.67821 621.3749       
95.33894 485.0928       83.18056 54.27368 4.184101 47.95693 4.131346 6.316746 
5.880027 
1 1 1 3   21  24 o 119.7261 2.131143  3018.093       107.0985 2963.666       
152.0636 3071.663       150.8638 118.6506 3.052647 120.8017 2.974630 -2.151176 
4.262286 
1 1 1 3   21  25 o 51.27157 2.845157  555.7898       61.08073 566.2646       
83.85278 543.9489       89.15307 51.79909 3.855817 50.74405 4.184776 1.055038 
5.690314 
1 1 1 3   21  26 o 184.0879 2.775917  7161.983       214.5148 7083.109       
304.5995 7239.597       302.1548 183.0706 3.963070 185.1052 3.888051 -2.034637 
5.551834 
1 1 1 3   21  27 o 34.07469 4.358838  254.3249       60.52016 211.8251       
85.49099 297.0190       85.68623 30.81907 6.790202 37.33031 5.467269 -6.511242 
8.717676 
1 1 1 3   21  28 o 55.22031 2.766316  637.3864       62.89340 480.4845       
84.19424 835.4776       94.60214 47.59250 4.213713 62.84811 3.585335 -15.25562 
5.532631 
1 1 1 3   21  29 o 76.06755 2.806677  1148.929       81.55525 1421.257       
157.6335 1049.390       95.30151 81.68511 4.596495 70.45000 3.222107 11.23512 
5.613353 
1 1 1 3   21  30 o 172.1394 4.070432  6125.216       237.4536 6859.889       
536.0596 5945.873       264.8554 176.9690 7.215010 167.3098 3.770583 9.659195 
8.140864 
1 1 1 3   21  31 o 65.90228 3.069634  889.6069       80.02930 1047.715       
143.4768 818.1985       96.42258 69.80329 4.895836 62.00126 3.704242 7.802029 
6.139268 
1 1 1 3   21  32 o 111.0395 2.798028  2552.321       115.2407 2823.760       
228.3200 2459.532       133.4924 114.4091 4.753401 107.6699 2.953135 6.739235 
5.596055 
1 1 1 3   21  33 o 60.61145 3.504943  747.2161       83.36455 948.3593       
153.6366 663.2826       99.24521 65.74254 5.566334 55.48037 4.260802 10.26217 
7.009886 
1 1 1 3   21  34 f 90.13467 2.966035  1730.597       105.0840 1833.335       
186.5057 1682.813       127.1958 91.62005 4.848670 88.64929 3.417579 2.970757 
5.932070 
1 1 1 3   21  35 o 62.29911 3.568799  864.2914       87.46417 831.2949       
150.7965 881.0195       107.3699 60.83595 5.904078 63.76227 4.010881 -2.926319 
7.137598 
1 1 1 3   21  36 o 42.03601 5.184297  429.1221       81.46155 399.8926       
144.7753 442.6635       98.54089 39.56702 8.927155 44.50501 5.273861 -4.937988 
10.36859 
1 1 1 3   21  37 o 55.26542 3.416815  635.1187       74.13070 818.0173       
136.6422 558.8350       88.24612 60.09939 5.415466 50.43145 4.167880 9.667942 
6.833630 
1 1 1 3   21  38 o 21.22024 6.030558  86.29757       78.02227 139.0897       
135.8127 60.29167       95.32167 23.73200 9.328634 18.70847 7.645072 5.023533 
12.06112 
1 1 1 3   21  39 o 45.43123 5.054214  515.4919       87.79958 560.7598       
154.1240 493.7437       106.8284 45.21998 8.432116 45.64248 5.574921 
-0.4224968     10.10843 
1 1 1 3   22  0  o 130.3841 2.045663  3582.101       111.7896 3455.717       
161.0042 3699.743       155.3367 128.1499 2.992541 132.6183 2.789919 -4.468491 
4.091326 
1 1 1 3   22  1  o 137.5352 2.333089  3982.753       134.2619 3990.585       
182.6240 3973.541       198.0644 137.6986 3.158997 137.3718 3.434233 0.3267822 
4.666178 
1 1 1 3   22  2  o 91.40825 1.882065  1758.413       72.02005 1776.071       
98.47356 1738.106       105.6033 91.90849 2.552026 90.90801 2.766918 1.000473 
3.764129 
1 1 1 3   22  3  o 189.0871 2.877526  7517.356       228.1529 7056.973       
314.6284 8027.924       331.3333 182.9907 4.095339 195.1834 4.043367 -12.19272 
5.755052 
1 1 1 3   22  4  o 62.90017 2.028994  833.4922       53.45382 897.6969       
75.48027 768.8951       75.71049 65.33906 2.751577 60.46128 2.982633 4.877781 
4.057989 
1 1 1 3   22  5  o 115.4551 2.230419  2758.562       104.7120 2630.587       
131.1783 2983.320       173.8428 111.8509 2.793467 119.0594 3.477876 -7.208557 
4.460839 
1 1 1 3   22  6  o 121.0763 2.475292  3065.977       125.1142 2917.049       
166.7455 3257.842       189.2621 117.7436 3.373168 124.4091 3.623536 -6.665482 
4.950583 
1 1 1 3   22  7  o 51.08652 2.514161  548.3665       53.40370 450.7106       
73.51558 657.4753       77.70709 46.26991 3.784441 55.90314 3.310896 -9.633224 
5.028323 
1 1 1 3   22  8  o 135.4005 2.469070  3857.219       140.2520 3873.006       
202.4804 3842.659       194.4555 135.6608 3.555082 135.1403 3.427335 0.5205688 
4.938140 
1 1 1 3   22  9  o 128.5206 2.624707  3475.673       141.0926 3489.697       
208.9543 3463.922       191.2846 128.7440 3.865853 128.2972 3.551271 0.4467468 
5.249414 
1 1 1 3   22  10 o 169.1146 4.535765  6081.168       315.9093 5901.861       
493.4901 6205.667       411.2079 166.8504 7.044860 171.3788 5.715121 -4.528427 
9.071530 
1 1 1 3   22  11 o 56.30209 2.850348  669.5144       67.15717 637.5245       
97.48078 698.4138       92.65224 55.00940 4.220881 57.59478 3.831722 -2.585373 
5.700696 
1 1 1 3   22  12 o 157.4830 3.884065  5222.630       256.8024 0.000000       
0.000000 5222.630       256.8024 ?        ?        157.4830 3.884065 ? ? 
1 1 1 3   22  13 o 93.34727 2.630787  1839.298       102.3810 1793.418       
153.0954 1876.414       137.7022 92.27355 3.951899 94.42101 3.473708 -2.147453 
5.261573 
1 1 1 3   22  14 o 114.6555 2.583759  2763.228       120.0139 2749.952       
150.9002 2786.079       197.9804 114.3267 3.143860 114.9842 4.101144 
-0.6575394     5.167518 
1 1 1 3   22  15 o 174.3905 2.886607  6321.691       202.3407 6710.803       
343.9556 6115.768       250.2171 178.3449 4.593701 170.4362 3.496845 7.908768 
5.773215 
1 1 1 3   22  16 o 128.2963 2.273496  3471.199       120.5357 3424.440       
187.1610 3504.338       157.5615 127.5260 3.495728 129.0665 2.907753 -1.540535 
4.546993 
1 1 1 3   22  17 o 139.6490 2.059744  4111.922       119.4018 4042.037       
182.2781 4164.448       158.0261 138.5828 3.132898 140.7153 2.674907 -2.132492 
4.119487 
1 1 1 3   22  18 o 91.63502 2.021618  1765.924       77.68263 1780.525       
112.8477 1752.774       107.0974 91.99033 2.921942 91.27970 2.794639 0.7106323 
4.043236 
1 1 1 3   22  19 o 101.3499 2.089014  2158.654       88.53895 2191.547       
131.6078 2131.458       119.6680 102.0445 3.071943 100.6554 2.831798 1.389153 
4.178028 
1 1 1 3   22  20 o 116.9565 2.145286  2865.604       104.0415 2959.287       
161.3753 2798.965       136.1051 118.5644 3.241930 115.3486 2.810498 3.215874 
4.290572 
1 1 1 3   22  21 o 49.69231 2.744000  500.7228       56.05879 625.5827       
91.25281 425.0388       71.04558 54.47325 3.990102 44.91136 3.767922 9.561893 
5.488001 
1 1 1 3   22  22 o 19.47849 5.110341  60.53534       55.78945 80.05343       
83.26392 44.63411       75.15424 20.94009 7.475229 18.01689 6.970171 2.923195 
10.22068 
1 1 1 3   22  23 o 26.67418 4.959229  159.8877       57.74392 108.7268       
86.00940 201.8710       77.91393 23.08039 7.631147 30.26796 6.335723 -7.187561 
9.918457 
1 1 1 3   22  24 o 67.83977 2.579074  965.2364       73.16358 1029.002       
109.5620 913.9154       98.29108 69.84296 3.736442 65.83659 3.556050 4.006371 
5.158148 
1 1 1 3   22  25 o 127.5865 2.153359  3422.801       114.3084 3484.901       
174.4106 3376.040       151.3450 128.5681 3.231177 126.6050 2.847334 1.963066 
4.306717 
1 1 1 3   22  26 f 38.55553 3.987450  321.4360       62.10535 392.9551       
89.93961 256.2540       85.86263 43.00582 4.981325 34.10524 6.227795 8.900581 
7.974899 
1 1 1 3   22  27 o 109.9237 1.996147  2542.034       92.00620 2382.581       
126.9079 2718.697       133.5813 106.2947 2.843793 113.5526 2.802009 -7.257874 
3.992295 
1 1 1 3   22  28 o 32.89221 3.914201  234.7245       52.98239 225.7202       
74.00034 244.1951       75.89230 31.99083 5.715811 33.79359 5.349146 -1.802759 
7.828401 
1 1 1 3   22  29 o 22.36191 5.696623  97.88350       67.55606 40.02856       
125.0187 121.7442       80.28728 21.14234 8.716740 23.58148 7.336518 -2.439142 
11.39325 
1 1 1 3   22  30 o 44.63116 4.166212  419.9893       72.47126 463.1556       
131.8477 401.3017       86.75148 45.99240 6.828223 43.26991 4.775424 2.722488 
8.332424 
1 1 1 3   22  31 o 74.22046 3.056904  1212.392       88.12335 1091.283       
153.2518 1272.218       107.7122 71.06401 5.136614 77.37691 3.315696 -6.312897 
6.113808 
1 1 1 3   22  32 o 80.05528 2.664446  1314.710       81.38205 1506.255       
155.1970 1242.065       95.57662 83.63551 4.419912 76.47506 2.976822 7.160454 
5.328892 
1 1 1 3   22  33 o 34.07620 5.508482  270.9644       72.45657 286.2010       
131.3137 264.2946       86.87960 34.17707 9.019158 33.97534 6.326788 0.2017326 
11.01696 
1 1 1 3   22  34 o 26.98445 5.803145  182.1804       71.43328 123.8960       
131.9298 206.3545       84.96545 24.42309 9.290262 29.54580 6.956797 -5.122711 
11.60629 
1 1 1 3   22  35 f 95.65819 3.137885  1977.538       119.5980 2075.588       
206.0008 1927.687       146.8884 96.84642 5.066480 94.46995 3.703522 2.376472 
6.275771 
1 1 1 3   22  36 o 55.26099 4.096254  682.6377       89.15166 725.4880       
156.9838 662.2388       108.3127 55.81690 6.699003 54.70508 4.715990 1.111824 
8.192509 
1 1 1 3   22  37 o 23.66786 5.935741  134.7787       71.88654 151.5789       
119.8862 125.3471       89.82645 24.63034 8.952032 22.70538 7.796999 1.924959 
11.87148 
1 1 1 3   22  38 o 19.09725 5.346704  70.16527       68.73122 -38.91101      
125.8928 116.4819       82.03602 16.60886 7.673606 21.58564 7.447464 -4.976780 
10.69341 
1 1 1 3   22  39 o 27.91708 6.126929  236.9814       82.09183 173.2226       
144.4040 267.4258       99.78439 24.31889 9.600141 31.51527 7.615401 -7.196377 
12.25386 
1 1 1 3   23  0  o 55.75395 2.169280  646.8304       50.29848 706.1785       
77.79137 604.1940       65.93543 57.92072 3.199032 53.58719 2.930751 4.333523 
4.338560 
1 1 1 3   23  1  o 41.78350 2.267847  367.2193       39.74662 360.9318       
54.86126 374.1656       57.66383 41.40923 3.155656 42.15777 3.257968 
-0.7485428     4.535695 
1 1 1 3   23  2  o 158.5880 2.465454  5296.819       163.8661 5292.027       
225.1538 5302.218       238.9437 158.5272 3.382958 158.6488 3.587400 
-0.1215820     4.930907 
1 1 1 3   23  3  o 52.39666 2.183011  580.0547       47.52716 478.7764       
66.45603 686.0861       67.99760 47.68616 3.319427 57.10715 2.836117 -9.420986 
4.366022 
1 1 1 3   23  4  o 86.56371 1.890691  1570.515       68.56390 1496.415       
93.28704 1657.570       101.1131 84.35316 2.634153 88.77424 2.712949 -4.421074 
3.781382 
1 1 1 3   23  5  f 198.4709 2.997259  8204.230       246.3831 7720.348       
319.3427 8915.892       387.2790 191.3856 3.974375 205.5562 4.487604 -14.17059 
5.994517 
1 1 1 3   23  6  o 117.9122 1.999630  2920.950       98.80844 2869.930       
135.2013 2979.440       144.7604 116.8142 2.756806 119.0101 2.897256 -2.195930 
3.999259 
1 1 1 3   23  7  o 105.0401 2.112669  2322.919       93.09578 2235.096       
132.3341 2408.967       130.9908 103.0676 3.058235 107.0126 2.915591 -3.945068 
4.225338 
1 1 1 3   23  8  o 168.7127 3.001144  6001.117       212.4911 5775.717       
298.9245 6231.356       302.1165 165.5003 4.302132 171.9252 4.185585 -6.424850 
6.002288 
1 1 1 3   23  9  o 221.3541 4.477777  10366.08       415.0701 10125.27       
564.4622 10649.58       612.4678 218.6211 6.149839 224.0870 6.510100 -5.465851 
8.955553 
1 1 1 3   23  10 o 55.14354 5.333557  642.7447       123.4783 642.7447       
123.4783 0.000000       0.000000 55.14354 5.333557 ?        ?        ? ? 
1 1 1 3   23  11 o 131.6482 2.741534  3625.286       149.6873 3815.535       
232.8749 3491.340       195.4012 134.5385 4.122847 128.7580 3.614716 5.780457 
5.483068 
1 1 1 3   23  12 o 239.3474 5.086605  12177.05       511.0402 11929.02       
714.6086 12436.67       731.1138 236.8568 7.186268 241.8379 7.200816 -4.981064 
10.17321 
1 1 1 3   23  13 o 71.26051 2.678053  1069.981       79.70075 1069.088       
118.9259 1070.709       107.3836 71.22009 3.977361 71.30094 3.587266 
-0.8085632E-01 5.356107 
1 1 1 3   23  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   23  15 o 71.96197 2.942380  1079.358       87.77959 1170.372       
137.4473 1016.667       114.0729 74.47444 4.395923 69.44949 3.912322 5.024948 
5.884760 
1 1 1 3   23  16 o 122.9779 2.511654  3183.476       125.3721 3194.422       
205.6125 3176.997       158.1795 123.0920 3.978695 122.8638 3.066530 0.2282181 
5.023307 
1 1 1 3   23  17 o 68.56813 2.400640  997.0611       68.10748 945.5091       
104.1060 1035.634       90.05228 66.98726 3.701728 70.14899 3.057696 -3.161736 
4.801281 
1 1 1 3   23  18 o 87.12056 2.314966  1579.136       81.50374 1666.152       
136.6725 1531.113       101.5333 88.92968 3.660626 85.31145 2.834799 3.618233 
4.629931 
1 1 1 3   23  19 o 122.6957 2.174523  3174.455       110.1913 3132.845       
171.4470 3203.741       143.8328 121.9805 3.347809 123.4110 2.776036 -1.430534 
4.349046 
1 1 1 3   23  20 o 116.0708 2.137619  2835.839       104.1395 2769.095       
147.6003 2901.999       146.9529 114.7065 3.064928 117.4351 2.980583 -2.728592 
4.275238 
1 1 1 3   23  21 o 149.9840 1.983582  4698.640       123.8394 4488.094       
163.2701 4983.861       190.0310 146.0728 2.662309 153.8952 2.941172 -7.822403 
3.967163 
1 1 1 3   23  22 o 77.82355 2.267860  1278.552       73.58968 1246.817       
109.9760 1304.283       99.02614 76.93129 3.404992 78.71580 2.996464 -1.784508 
4.535721 
1 1 1 3   23  23 o 87.84540 2.163661  1629.986       79.47336 1464.951       
112.6072 1793.768       112.1787 83.38699 3.216539 92.30381 2.894754 -8.916817 
4.327323 
1 1 1 3   23  24 o 137.3849 2.108504  3987.970       120.4998 3887.985       
181.9691 4066.056       160.8106 135.8106 3.191427 138.9592 2.756439 -3.148605 
4.217008 
1 1 1 3   23  25 o 113.9843 2.299863  2722.333       109.6803 2490.563       
148.1145 3003.732       163.2036 108.6505 3.247036 119.3181 3.257951 -10.66758 
4.599727 
1 1 1 3   23  26 o 81.19739 2.420972  1390.641       81.93021 1411.440       
123.9499 1374.502       109.1834 81.70612 3.613373 80.68865 3.223036 1.017464 
4.841944 
1 1 1 3   23  27 o 102.2057 2.072832  2195.159       88.72632 2340.502       
131.2169 2072.727       120.4316 105.3024 2.968060 99.10902 2.894332 6.193390 
4.145665 
1 1 1 3   23  28 o 102.1668 2.371887  2189.395       98.99072 2292.858       
161.2691 2126.844       125.3930 103.9985 3.693559 100.3351 2.976744 3.663406 
4.743773 
1 1 1 3   23  29 o 44.01936 4.270257  391.2843       74.09639 503.8612       
135.5924 343.3527       88.47515 48.06979 6.718684 39.96894 5.272539 8.100849 
8.540514 
1 1 1 3   23  30 o 70.04261 3.090118  1028.292       84.27487 1108.778       
153.0157 993.2466       100.9686 71.73195 5.080945 68.35327 3.518424 3.378677 
6.180236 
1 1 1 3   23  31 o 18.43091 5.303099  24.87670       61.16110 83.57719       
109.3071 -1.877319      73.79414 21.94143 8.424163 14.92039 6.443983 7.021039 
10.60620 
1 1 1 3   23  32 o 23.53349 5.956209  107.8421       69.16521 148.6150       
129.4935 91.56723       81.81282 26.05924 9.320278 21.00775 7.418766 5.051487 
11.91242 
1 1 1 3   23  33 o 55.67095 3.683527  693.6053       78.30035 644.9949       
141.0427 715.2610       94.13951 53.69639 6.256430 57.64552 3.889802 -3.949123 
7.367053 
1 1 1 3   23  34 o 47.40059 3.885144  460.5644       73.30922 629.7241       
131.8703 384.9036       88.19299 52.99323 5.927174 41.80795 5.024540 11.18529 
7.770289 
1 1 1 3   23  35 o 51.74978 3.766598  581.0845       75.77109 643.4914       
138.2237 554.2751       90.59601 53.13609 6.196038 50.36347 4.284641 2.772625 
7.533195 
1 1 1 3   23  36 o 43.97352 4.699831  429.0518       83.07941 535.6907       
144.6059 376.5099       101.5035 47.40629 7.265592 40.54074 5.963624 6.865543 
9.399662 
1 1 1 3   23  37 f 22.92309 5.452676  133.2771       66.87238 51.93948       
113.1661 176.9185       82.89330 19.33879 8.151477 26.50740 7.244318 -7.168606 
10.90535 
1 1 1 3   23  38 o 58.21481 3.946353  778.1995       91.22899 855.3038       
158.9469 740.3208       111.4065 59.36488 6.377400 57.06474 4.650115 2.300137 
7.892705 
1 1 1 3   24  0  o 217.5778 2.893257  9895.153       258.0891 9587.262       
328.7923 10389.41       416.5780 213.3066 3.671456 221.8489 4.472600 -8.542297 
5.786514 
1 1 1 3   24  1  o 19.78488 4.397460  82.65998       40.92645 67.64771       
63.03040 93.60285       53.81368 18.81556 6.524510 20.75420 5.897573 -1.938648 
8.794919 
1 1 1 3   24  2  o 192.6429 2.846725  7821.793       230.1807 7580.889       
322.5936 8071.656       328.5371 189.6166 4.052289 195.6693 3.999290 -6.052612 
5.693450 
1 1 1 3   24  3  o 98.37019 1.962928  2037.399       80.98017 1984.559       
116.2917 2087.142       112.8331 97.12517 2.851925 99.61522 2.697937 -2.490051 
3.925856 
1 1 1 3   24  4  o 113.4857 2.121579  2698.004       100.4018 2611.392       
133.5099 2810.743       152.3218 111.4119 2.854323 115.5595 3.139623 -4.147575 
4.243158 
1 1 1 3   24  5  o 25.88021 3.829642  147.7347       42.33648 64.78680       
59.00686 235.7370       60.77808 18.33519 6.317167 33.42523 4.331054 -15.09004 
7.659284 
1 1 1 3   24  6  o 94.06053 2.176432  1863.327       85.88836 1921.020       
120.6379 1804.026       122.3083 95.54353 3.007486 92.57753 3.146815 2.966003 
4.352863 
1 1 1 3   24  7  o 210.3159 3.455430  9342.252       305.0219 9186.558       
425.2540 9507.230       437.7496 208.5201 4.857598 212.1118 4.915661 -3.591721 
6.910860 
1 1 1 3   24  8  o 139.6712 2.689002  4110.409       155.9607 4117.515       
238.9135 4105.131       205.8784 139.7359 4.072432 139.6065 3.512580 0.1293640 
5.378004 
1 1 1 3   24  9  o 179.9676 5.259015  6920.673       317.8840 6868.624       
706.8821 6933.867       355.9013 178.7316 9.420345 181.2036 4.678253 -2.472076 
10.51803 
1 1 1 3   24  10 o 95.45545 2.764339  1920.846       110.7712 1909.745       
157.5045 1931.711       155.8174 95.17924 3.941594 95.73166 3.876871 
-0.5524139     5.528679 
1 1 1 3   24  11 o 213.4693 4.282236  9692.176       378.7066 9467.336       
581.1429 9858.128       499.2753 211.1280 6.556291 215.8106 5.510466 -4.682648 
8.564472 
1 1 1 3   24  12 o 94.18344 2.590382  1867.636       102.3628 1903.920       
147.9291 1834.301       141.7915 95.05641 3.706751 93.31046 3.619437 1.745949 
5.180765 
1 1 1 3   24  13 o 186.3357 4.400798  7370.383       343.6484 7294.230       
499.8448 7438.641       473.2310 185.3584 6.423088 187.3130 6.017643 -1.954529 
8.801596 
1 1 1 3   24  14 o 180.0491 3.940039  6862.138       294.1413 6868.931       
452.9797 6857.186       386.7777 180.0065 5.993929 180.0916 5.115510 
-0.8514404E-01 7.880078 
1 1 1 3   24  15 o 104.0596 2.757958  2283.649       119.2032 2274.312       
182.1696 2290.641       157.6368 103.8419 4.178539 104.2774 3.600713 
-0.4355164     5.515916 
1 1 1 3   24  16 o 104.8444 6.134635  2330.917       270.0307 2330.917       
270.0307 0.000000       0.000000 104.8444 6.134635 ?        ?        ? ? 
1 1 1 3   24  17 o 19.95953 5.546930  48.91638       68.50821 30.06264       
99.53661 65.88702       94.43504 19.17148 7.819613 20.74758 7.869396 -1.576099 
11.09386 
1 1 1 3   24  18 o 116.3739 2.286813  2832.907       109.1811 2934.718       
175.3981 2768.503       139.5039 118.0374 3.539371 114.7104 2.896707 3.327026 
4.573627 
1 1 1 3   24  19 o 45.15399 3.193041  428.6036       60.14125 445.9988       
91.08135 415.1563       80.08158 45.95095 4.721240 44.35703 4.300225 1.593914 
6.386082 
1 1 1 3   24  20 o 101.9005 2.059213  2175.956       86.26237 2229.873       
137.4292 2140.903       110.8106 102.9133 3.180743 100.8876 2.616162 2.025620 
4.118425 
1 1 1 3   24  21 o 107.4337 2.295420  2391.224       97.49766 2548.459       
171.7696 2316.489       118.4231 109.9399 3.721451 104.9276 2.688238 5.012291 
4.590841 
1 1 1 3   24  22 o 101.5785 2.229585  2199.365       91.62430 2074.424       
148.9570 2275.408       116.2089 99.17798 3.577394 103.9791 2.662040 -4.801079 
4.459171 
1 1 1 3   24  23 o 77.02415 2.579850  1224.846       82.37180 1431.583       
129.6871 1085.043       106.6464 82.34055 3.751493 71.70775 3.542429 10.63280 
5.159700 
1 1 1 3   24  24 o 145.6568 2.449823  4483.104       149.5394 4409.118       
217.1018 4549.893       206.2745 144.4844 3.579016 146.8293 3.346217 -2.344879 
4.899645 
1 1 1 3   24  25 o 97.32047 2.237859  1999.445       91.41597 1972.330       
130.0420 2025.934       128.5346 96.66140 3.204436 97.97953 3.124681 -1.318130 
4.475717 
1 1 1 3   24  26 o 83.22906 2.070359  1464.828       72.09407 1420.042       
105.4880 1504.081       98.75735 82.01214 3.063697 84.44598 2.785554 -2.433838 
4.140718 
1 1 1 3   24  27 o 26.01666 5.100827  151.8418       58.56100 117.7365       
83.66534 184.5991       81.99543 23.40902 7.518997 28.62429 6.894810 -5.215275 
10.20165 
1 1 1 3   24  28 o 111.6037 3.177676  2632.069       133.8410 2717.322       
253.8731 2599.253       157.5075 112.4510 5.377425 110.7564 3.387298 1.694649 
6.355351 
1 1 1 3   24  29 o 39.04623 4.916402  352.0430       71.57084 310.7314       
128.0223 370.8242       86.31998 36.55318 8.496184 41.53929 4.949637 -4.986107 
9.832805 
1 1 1 3   24  30 o 67.97493 2.954100  976.2715       78.50440 1025.795       
140.6289 953.8520       94.62000 68.97572 4.856233 66.97413 3.365092 2.001595 
5.908201 
1 1 1 3   24  31 o 55.58341 3.638823  682.4605       77.36771 643.5284       
139.7247 699.6751       92.91119 54.00686 6.162335 57.15997 3.871659 -3.153103 
7.277646 
1 1 1 3   24  32 o 26.82169 5.593906  182.8372       70.54055 75.98116       
131.8477 225.6902       83.49551 22.41025 9.052316 31.23312 6.574400 -8.822868 
11.18781 
1 1 1 3   24  33 o 58.66880 3.049047  765.1967       69.39634 695.0402       
121.0199 799.5675       84.70664 56.22028 5.127253 61.11732 3.301218 -4.897045 
6.098095 
1 1 1 3   24  34 o 63.24316 3.473161  878.7913       84.74557 888.4094       
153.3929 874.5658       101.6707 62.88980 5.809598 63.59653 3.807880 
-0.7067223     6.946322 
1 1 1 3   24  35 o 53.67176 4.030755  644.3647       84.31071 670.1328       
150.5661 632.5946       101.7605 53.73252 6.674383 53.61100 4.521123 0.1215210 
8.061509 
1 1 1 3   24  36 f 17.01291 5.275555  -10.52718      65.87383 71.70389       
123.3204 -43.35861      77.92231 20.87086 8.635650 13.15495 6.062299 7.715917 
10.55111 
1 1 1 3   24  37 f 42.30092 5.252177  458.5137       83.34124 409.7023       
145.1642 482.5129       101.7879 38.71378 9.078910 45.88806 5.283452 -7.174278 
10.50435 
1 1 1 3   24  38 o 23.05484 5.831563  143.8315       69.45731 128.3472       
128.1295 150.2752       82.65554 22.36478 8.969225 23.74490 7.455301 -1.380117 
11.66313 
1 1 1 3   25  0  o 38.99516 2.801219  297.9273       43.96873 456.1531       
73.38872 209.3316       54.91571 46.50397 3.758896 31.48635 4.154275 15.01762 
5.602437 
1 1 1 3   25  1  o 56.37705 2.387377  662.8837       55.35986 701.9938       
88.67100 637.9012       70.86864 57.70882 3.659826 55.04527 3.066586 2.663551 
4.774754 
1 1 1 3   25  2  o 79.49071 1.922767  1328.229       64.08833 1309.266       
88.18472 1349.455       93.30064 78.89342 2.662402 80.08800 2.774842 -1.194580 
3.845534 
1 1 1 3   25  3  o 80.30444 2.021142  1355.638       68.01729 1338.060       
93.14120 1375.722       99.56138 79.75203 2.781770 80.85685 2.932886 -1.104820 
4.042284 
1 1 1 3   25  4  o 87.63329 2.035559  1615.338       74.86469 1555.708       
105.0298 1676.926       106.7403 85.98753 2.909364 89.27904 2.847738 -3.291512 
4.071118 
1 1 1 3   25  5  f 140.1331 2.544077  4138.494       148.2877 4150.036       
196.9299 4123.379       225.3530 140.3927 3.341092 139.8736 3.837502 0.5190582 
5.088154 
1 1 1 3   25  6  o 81.07191 2.022800  1381.467       68.77190 1357.078       
94.69061 1408.693       100.0466 80.31863 2.808094 81.82520 2.912300 -1.506569 
4.045600 
1 1 1 3   25  7  o 194.9525 3.160187  8033.256       258.2151 7748.066       
371.8438 8298.856       358.8454 191.5691 4.623343 198.3358 4.309505 -6.766663 
6.320374 
1 1 1 3   25  8  o 190.0445 3.500518  7653.470       274.2089 7513.704       
428.6479 7750.285       356.7552 188.4484 5.417879 191.6406 4.434083 -3.192184 
7.001036 
1 1 1 3   25  9  o 208.6849 9.437984  9361.216       826.8927 9361.216       
826.8927 0.000000       0.000000 208.6849 9.437984 ?        ?        ? ? 
1 1 1 3   25  10 o 110.8604 2.643308  2595.792       122.5380 2511.549       
179.8146 2668.837       167.4365 109.1559 3.923728 112.5649 3.542975 -3.409050 
5.286616 
1 1 1 3   25  11 o 291.5659 5.437252  18093.37       652.1116 18311.01       
1033.242 17949.29       840.7012 292.5704 8.411874 290.5613 6.891677 2.009033 
10.87450 
1 1 1 3   25  12 o 163.8073 3.154094  5664.781       216.6900 5344.107       
305.1911 5990.785       307.7164 159.1093 4.568748 168.5053 4.349687 -9.395996 
6.308188 
1 1 1 3   25  13 o 259.6042 5.512808  14361.53       599.8992 14676.48       
877.0295 14084.60       822.3765 262.1828 7.967664 257.0257 7.621058 5.157166 
11.02562 
1 1 1 3   25  14 o 51.17853 3.269916  558.1956       69.48425 509.0501       
103.3580 598.7223       93.85853 49.07780 5.016263 53.27925 4.196012 -4.201450 
6.539832 
1 1 1 3   25  15 f 202.6047 3.723190  8732.387       310.4718 8413.201       
484.9408 8954.092       404.1621 199.2886 5.795987 205.9208 4.674945 -6.632202 
7.446380 
1 1 1 3   25  16 o 40.23942 4.698943  365.5307       74.10888 272.6858       
112.7850 436.0748       98.31113 35.06671 7.856915 45.41212 5.156464 -10.34541 
9.397885 
1 1 1 3   25  17 o 37.30056 5.819070  267.1722       81.41708 424.4203       
159.3010 211.5742       94.72305 43.70234 8.990390 30.89878 7.390481 12.80356 
11.63814 
1 1 1 3   25  18 o 147.0978 4.402278  4568.031       271.8709 4568.031       
271.8709 0.000000       0.000000 147.0978 4.402278 ?        ?        ? ? 
1 1 1 3   25  19 o 106.2371 3.110432  2384.451       138.6402 2355.057       
198.9888 2412.181       193.2701 105.5873 4.488879 106.8868 4.306868 -1.299484 
6.220864 
1 1 1 3   25  20 o 111.8786 2.107841  2622.982       96.23099 2688.689       
156.5068 2583.039       122.0229 112.9611 3.300088 110.7961 2.623241 2.164993 
4.215682 
1 1 1 3   25  21 o 21.48384 5.262903  90.21503       58.31638 64.05170       
90.94175 108.4868       75.99888 20.33186 7.719321 22.63582 7.155743 -2.303963 
10.52581 
1 1 1 3   25  22 o 21.11223 5.010277  81.51450       59.42487 -13.30965      
93.41730 145.9656       77.01633 16.55356 7.201094 25.67090 6.968195 -9.117342 
10.02055 
1 1 1 3   25  23 o 85.04274 2.300459  1534.106       80.84809 1478.520       
124.6899 1574.426       106.1966 83.66447 3.549861 86.42100 2.926931 -2.756523 
4.600917 
1 1 1 3   25  24 f 192.7715 3.393902  7808.601       253.5168 8138.889       
461.0417 7665.449       303.5240 195.2070 5.625562 190.3360 3.798335 4.871033 
6.787805 
1 1 1 3   25  25 o 50.28337 3.246833  534.4156       67.29539 554.4952       
106.5863 521.1055       86.77882 51.00763 4.977225 49.55911 4.170722 1.448521 
6.493666 
1 1 1 3   25  26 o 19.01005 5.206774  41.36331       60.04617 93.25475       
94.13976 5.771613       77.96499 22.14062 7.943986 15.87947 6.733132 6.261152 
10.41355 
1 1 1 3   25  27 o 77.01597 2.512323  1251.922       79.80814 1288.586       
125.9318 1227.314       103.1719 77.88634 3.851192 76.14560 3.227288 1.740738 
5.024646 
1 1 1 3   25  28 o 157.8517 2.869616  4934.848       144.5172 5913.755       
359.3069 4745.924       157.8479 165.7840 5.162312 149.9194 2.507852 15.86455 
5.739232 
1 1 1 3   25  29 o 43.74319 4.206640  406.4574       72.09924 448.2410       
129.8099 387.8170       86.70269 45.05463 6.862611 42.43174 4.867017 2.622898 
8.413280 
1 1 1 3   25  30 o 63.40556 3.277050  830.8788       81.23434 968.0772       
148.6831 772.4965       96.99031 66.71486 5.308356 60.09626 3.844164 6.618595 
6.554101 
1 1 1 3   25  31 o 58.72912 3.646358  783.9560       82.46832 664.8102       
142.4588 844.0081       101.1380 54.73374 6.199481 62.72450 3.840592 -7.990765 
7.292717 
1 1 1 3   25  32 o 24.57254 5.641021  136.7669       63.28411 146.1985       
114.2042 132.5875       76.02340 25.29110 8.781220 23.85399 7.083407 1.437107 
11.28204 
1 1 1 3   25  33 o 50.10262 3.866765  503.1731       76.09081 725.9918       
141.7223 412.9288       90.19287 56.88260 5.934440 43.32263 4.958821 13.55997 
7.733530 
1 1 1 3   25  34 o 16.78969 5.246942  -1.176870      70.38377 -86.29072      
134.7024 30.78798       82.54892 16.62600 7.779224 16.95338 7.043102 
-0.3273849     10.49388 
1 1 1 3   25  35 o 27.78887 5.866157  208.2531       76.25359 122.0057       
138.1086 246.0750       91.45752 23.77542 9.387612 31.80233 7.037040 -8.026905 
11.73231 
1 1 1 3   25  36 o 19.60937 5.787345  59.94547       76.89856 26.70137       
137.3922 75.11033       92.79483 19.63586 8.635936 19.58287 7.706754 
0.5299377E-01  11.57469 
1 1 1 3   25  37 o 41.74292 5.408459  465.2012       84.80235 389.8040       
146.3778 503.2914       104.0409 36.87175 9.420342 46.61409 5.316281 -9.742336 
10.81692 
1 1 1 3   25  38 o 33.67546 6.182683  405.7036       106.6478 97.99120       
234.4385 485.9979       119.7564 22.99002 10.56200 44.36090 6.430126 -21.37088 
12.36537 
1 1 1 3   26  0  o 116.4925 2.052563  2861.728       98.95764 2846.603       
153.2008 2872.557       129.6287 116.1904 3.140594 116.7946 2.643621 
-0.6042633     4.105127 
1 1 1 3   26  1  f 89.17088 2.322205  1665.395       85.09269 1729.889       
136.1235 1624.028       109.0186 90.54145 3.581020 87.80031 2.957506 2.741142 
4.644410 
1 1 1 3   26  2  o 57.76727 2.139108  702.4432       51.82159 693.5936       
71.42687 712.2788       75.30003 57.38727 2.964607 58.14727 3.084515 
-0.7599983     4.278215 
1 1 1 3   26  3  o 58.29036 2.249789  715.0392       54.99190 765.8087       
79.00770 667.3301       76.58925 60.29926 3.120891 56.28146 3.241332 4.017799 
4.499577 
1 1 1 3   26  4  o 104.0909 2.086515  2288.575       90.85392 2412.287       
125.6157 2152.868       131.5643 107.0656 2.794570 101.1161 3.099123 5.949516 
4.173030 
1 1 1 3   26  5  o 81.95553 2.126374  1404.311       72.30751 1354.768       
94.53148 1474.171       112.2536 80.23968 2.806134 83.67138 3.195542 -3.431702 
4.252749 
1 1 1 3   26  6  o 20.07411 4.337938  72.67771       45.76581 145.5884       
65.64075 3.708283       63.84197 25.68221 6.158206 14.46600 6.111246 11.21621 
8.675876 
1 1 1 3   26  7  o 138.2206 2.694064  4025.874       156.3055 3919.565       
218.9770 4136.304       223.1816 136.3586 3.825048 140.0826 3.794855 -3.723969 
5.388128 
1 1 1 3   26  8  o 38.67670 4.759791  297.2095       68.22746 387.3403       
133.6994 265.4742       79.33484 41.93391 7.884107 35.41950 5.335100 6.514404 
9.519582 
1 1 1 3   26  9  f 125.3565 3.314585  3334.256       172.1045 3418.611       
227.2879 3220.889       263.4903 127.2915 4.253027 123.4215 5.085043 3.869911 
6.629171 
1 1 1 3   26  10 f 18.26497 5.017202  40.43723       57.25488 -4.495220      
87.38408 74.23686       75.78938 16.44227 7.054828 20.08768 7.135732 -3.645409 
10.03440 
1 1 1 3   26  11 o 159.0135 3.540948  5345.891       236.1589 5327.952       
341.3181 5362.366       327.0940 158.7319 5.121723 159.2950 4.890931 
-0.5630341     7.081896 
1 1 1 3   26  12 o 41.61711 3.717906  365.5066       64.87891 385.9182       
94.62975 347.4015       89.12294 42.70961 5.277438 40.52461 5.238317 2.185005 
7.435812 
1 1 1 3   26  13 o 35.86659 4.843290  281.7115       70.18185 297.1705       
102.6186 268.1269       96.19664 36.79817 6.897124 34.93502 6.801435 1.863148 
9.686580 
1 1 1 3   26  14 o 29.58466 5.215603  199.5541       65.46423 141.9786       
100.1490 242.5089       86.50352 25.92181 8.216396 33.24751 6.426579 -7.325699 
10.43121 
1 1 1 3   26  15 o 148.7653 3.054455  4664.132       188.0323 4714.811       
292.3781 4628.388       245.5466 149.3857 4.661833 148.1448 3.947921 1.240891 
6.108909 
1 1 1 3   26  16 o 145.2593 3.187933  4463.575       193.4694 4388.590       
286.8082 4526.185       262.0755 144.0902 4.741088 146.4284 4.263068 -2.338135 
6.375865 
1 1 1 3   26  17 o 178.2132 3.637547  6721.383       272.0645 6476.091       
380.4992 6977.971       389.1617 174.8766 5.182545 181.5497 5.105704 -6.673096 
7.275093 
1 1 1 3   26  18 o 121.7828 3.101073  3135.630       158.4870 3082.286       
226.1762 3187.091       222.1471 120.7505 4.461482 122.8152 4.308339 -2.064713 
6.202145 
1 1 1 3   26  19 o 54.80691 4.937822  636.4906       113.6187 0.000000       
0.000000 636.4906       113.6187 ?        ?        54.80691 4.937822 ? ? 
1 1 1 3   26  20 o 54.70547 5.355706  635.8798       123.0061 635.8798       
123.0061 0.000000       0.000000 54.70547 5.355706 ?        ?        ? ? 
1 1 1 3   26  21 o 158.1849 2.905079  5127.774       180.4897 4845.475       
216.8443 5764.421       325.6439 151.5157 3.408877 164.8541 4.705050 -13.33835 
5.810158 
1 1 1 3   26  22 o 40.60806 3.881313  344.5313       64.31393 381.1149       
106.1794 323.3315       80.82835 42.21647 5.990725 38.99965 4.936556 3.216820 
7.762626 
1 1 1 3   26  23 o 89.59244 2.300364  1644.464       84.06472 1905.783       
139.9618 1496.992       105.1427 94.94949 3.511058 84.23537 2.973072 10.71412 
4.600727 
1 1 1 3   26  24 o 91.26801 2.264097  1766.355       85.55522 1719.081       
131.4628 1801.087       112.6832 90.15306 3.473309 92.38297 2.905283 -2.229904 
4.528194 
1 1 1 3   26  25 f 164.3680 2.630696  5754.237       174.6679 5623.976       
287.6400 5830.330       219.8422 162.6627 4.211942 166.0733 3.153062 -3.410522 
5.261393 
1 1 1 3   26  26 o 62.79058 2.689532  810.3688       69.74855 1026.481       
110.5246 667.3431       89.91374 69.52703 3.786397 56.05414 3.820669 13.47289 
5.379063 
1 1 1 3   26  27 o 35.14289 4.809918  272.3587       66.40491 284.8148       
112.8443 265.7603       82.13114 35.20928 7.838150 35.07650 5.577155 0.1327820 
9.619837 
1 1 1 3   26  28 o 25.67339 5.778955  144.9068       66.41795 150.2839       
121.2992 142.6043       79.37424 26.31705 9.058282 25.02973 7.178636 1.287315 
11.55791 
1 1 1 3   26  29 o 43.20631 4.133054  414.8199       70.12669 389.1964       
120.5765 427.9174       86.20596 41.84834 6.862864 44.56429 4.607564 -2.715946 
8.266109 
1 1 1 3   26  30 o 43.99670 4.126423  403.1188       71.78523 496.8481       
129.6114 361.6454       86.21643 47.22289 6.537501 40.77051 5.036920 6.452381 
8.252847 
1 1 1 3   26  31 o 45.08353 4.308435  446.5084       74.89360 468.5885       
136.8282 437.0636       89.48926 45.36262 7.184531 44.80444 4.757414 0.5581856 
8.616871 
1 1 1 3   26  32 o 38.86317 5.142828  374.8586       73.60487 299.7758       
133.0261 407.9882       88.36390 34.58897 9.054770 43.13737 4.879128 -8.548397 
10.28566 
1 1 1 3   26  33 o 60.67476 3.566387  802.3478       83.61378 846.0961       
152.5066 783.5456       99.97993 61.24566 5.931087 60.10387 3.962155 1.141792 
7.132775 
1 1 1 3   26  34 o 30.68235 5.092863  226.0602       60.51979 235.8229       
110.4804 221.8748       72.33867 30.47193 8.379121 30.89277 5.791317 
-0.4208450     10.18573 
1 1 1 3   26  35 o 87.66286 3.100146  1669.654       105.9370 1774.574       
190.6556 1622.793       127.4172 88.83915 5.111711 86.48658 3.509137 2.352570 
6.200293 
1 1 1 3   26  36 o 59.89941 4.077524  840.2095       93.73054 813.3525       
167.7805 852.3937       113.0095 57.94409 6.896894 61.85474 4.351742 -3.910656 
8.155047 
1 1 1 3   26  37 o 50.91718 4.365536  573.6890       87.72475 802.8796       
161.1100 477.1014       104.5887 56.85448 6.749613 44.97987 5.538442 11.87461 
8.731071 
1 1 1 3   27  0  o 105.8741 2.109942  2369.411       93.34163 2317.132       
138.0594 2413.429       126.6831 104.7678 3.138769 106.9805 2.820560 -2.212700 
4.219884 
1 1 1 3   27  1  o 136.1130 2.395734  3935.066       134.7796 3779.234       
207.5309 4048.735       177.2460 133.6902 3.697466 138.5358 3.047441 -4.845627 
4.791467 
1 1 1 3   27  2  o 82.97900 2.268439  1466.395       77.97827 1355.031       
117.6262 1553.711       104.1545 80.10230 3.497682 85.85570 2.889548 -5.753395 
4.536878 
1 1 1 3   27  3  o 214.1315 3.265291  9711.743       293.4424 9407.648       
408.7868 10035.02       421.4851 210.6741 4.621754 217.5890 4.613882 -6.914902 
6.530583 
1 1 1 3   27  4  o 99.35640 2.068263  2077.720       86.22739 2018.027       
119.5658 2142.411       124.4698 97.87269 2.909824 100.8401 2.940031 -2.967422 
4.136527 
1 1 1 3   27  5  o 69.77888 2.244964  1024.488       65.68887 957.2219       
91.03477 1097.557       94.88070 67.38948 3.217631 72.16828 3.131501 -4.778801 
4.489928 
1 1 1 3   27  6  o 70.71024 2.220523  1045.841       65.66576 937.2009       
88.86263 1176.527       97.46289 66.69145 3.173731 74.72901 3.106498 -8.037560 
4.441047 
1 1 1 3   27  7  o 101.4912 2.471915  2149.567       104.5895 2356.256       
159.8419 1994.817       138.3079 105.7002 3.601934 97.28217 3.386374 8.418030 
4.943830 
1 1 1 3   27  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   27  9  o 113.6879 2.595680  2714.030       123.6299 2930.128       
181.8660 2528.377       168.5684 117.8768 3.674890 109.4990 3.666798 8.377754 
5.191360 
1 1 1 3   27  10 o 63.34487 2.922003  843.4913       77.53618 905.2975       
114.3356 790.8666       105.5018 65.48176 4.158935 61.20798 4.105565 4.273777 
5.844006 
1 1 1 3   27  11 o 136.4204 2.750221  3934.112       157.1600 3777.363       
227.0932 4078.187       217.7188 133.7798 4.043288 139.0610 3.729166 -5.281235 
5.500442 
1 1 1 3   27  12 o 221.8084 4.522764  10457.11       420.1170 10645.39       
618.6803 10295.99       572.2974 223.5656 6.591472 220.0513 6.194681 3.514297 
9.045528 
1 1 1 3   27  13 o 78.47022 2.796198  1296.580       91.87672 1338.229       
135.7687 1261.393       124.7910 79.61863 4.061683 77.32182 3.844167 2.296814 
5.592395 
1 1 1 3   27  14 o 257.8154 5.283207  14228.25       571.3900 14218.55       
792.2759 14238.77       824.8427 257.8246 7.319362 257.8063 7.620766 
0.1821899E-01  10.56641 
1 1 1 3   27  15 o 52.94239 3.562721  598.8020       78.08891 483.8236       
110.1429 715.0059       110.7282 47.74321 5.494977 58.14158 4.536205 -10.39837 
7.125442 
1 1 1 3   27  16 o 52.44914 3.635438  582.3424       79.95008 563.7379       
109.7481 603.3805       116.7053 51.56553 5.069426 53.33276 5.212156 -1.767239 
7.270877 
1 1 1 3   27  17 o 50.94398 4.341161  577.4983       85.39615 368.1822       
120.4110 789.3184       121.1290 40.84866 7.282916 61.03932 4.726717 -20.19066 
8.682322 
1 1 1 3   27  18 o 195.8606 3.745726  8134.944       307.6300 8514.974       
448.8506 7798.293       422.4571 200.1447 5.341690 191.5764 5.252447 8.568344 
7.491452 
1 1 1 3   27  19 o 56.37512 3.530731  676.9647       83.30296 729.3810       
116.8892 622.8672       118.7491 58.63053 4.748668 54.11971 5.226319 4.510822 
7.061463 
1 1 1 3   27  20 o 46.18581 4.531685  470.0124       79.58683 712.0863       
117.8021 266.7434       107.9480 57.89227 4.846781 34.47934 7.658551 23.41294 
9.063371 
1 1 1 3   27  21 o 61.67226 4.735638  808.3953       122.6160 0.000000       
0.000000 808.3953       122.6160 ?        ?        61.67226 4.735638 ? ? 
1 1 1 3   27  22 o 42.46198 4.968586  396.5403       85.95979 381.6909       
127.4981 408.9151       116.3907 41.31818 7.637268 43.60577 6.357635 -2.287582 
9.937172 
1 1 1 3   27  23 f 66.47128 3.101860  933.1014       85.93669 890.6421       
113.8303 989.3745       131.0456 64.76193 4.186576 68.18064 4.578070 -3.418709 
6.203720 
1 1 1 3   27  24 o 82.34969 2.469299  1425.888       83.31768 1483.618       
134.4244 1389.874       106.1708 83.61926 3.829065 81.08012 3.118975 2.539139 
4.938597 
1 1 1 3   27  25 o 83.71196 2.350813  1471.926       80.58002 1540.856       
130.4115 1429.356       102.4847 85.20676 3.645549 82.21717 2.969050 2.989586 
4.701626 
1 1 1 3   27  26 o 55.30678 3.034797  639.0678       69.14857 726.2614       
111.3741 584.3733       88.20921 58.24971 4.554193 52.36385 4.012393 5.885864 
6.069594 
1 1 1 3   27  27 o 72.75018 2.447073  1125.738       74.37314 1122.756       
110.6994 1128.191       100.4107 72.61517 3.631108 72.88519 3.281419 
-0.2700195     4.894145 
1 1 1 3   27  28 o 37.35416 4.788447  309.9295       68.68478 327.7068       
121.3937 301.5587       83.30061 37.45528 7.959257 37.25304 5.326079 0.2022476 
9.576894 
1 1 1 3   27  29 o 40.80747 4.455420  348.2327       71.17096 429.2498       
131.0550 314.3456       84.75833 43.66979 7.148148 37.94515 5.320436 5.724640 
8.910839 
1 1 1 3   27  30 o 24.74561 5.626552  124.8527       61.12497 193.8126       
116.3407 98.55861       71.83925 28.38889 8.831315 21.10233 6.974254 7.286560 
11.25310 
1 1 1 3   27  31 o 20.98492 5.747216  81.06496       68.79980 60.67785       
127.2586 89.48463       81.78181 21.30683 8.791196 20.66302 7.405191 0.6438103 
11.49443 
1 1 1 3   27  32 o 29.47274 5.370444  224.9742       68.69463 141.2197       
114.5765 271.9764       85.83231 24.69355 8.773504 34.25193 6.196152 -9.558376 
10.74089 
1 1 1 3   27  33 o 76.71996 3.092197  1289.665       93.14378 1289.910       
163.0608 1289.546       113.4798 76.14217 5.100884 77.29775 3.496815 -1.155579 
6.184394 
1 1 1 3   27  34 o 39.91895 5.193310  394.7031       76.64608 361.3304       
139.8179 409.0403       91.64277 37.11846 9.042845 42.71945 5.109679 -5.600990 
10.38662 
1 1 1 3   27  35 o 63.88869 3.155607  858.3425       77.09864 1033.128       
147.3701 792.4761       90.46669 67.47586 5.202140 60.30153 3.573398 7.174328 
6.311215 
1 1 1 3   27  36 o 29.05649 5.950331  231.2595       75.04298 235.5306       
125.9087 228.9063       93.45606 28.56059 9.228951 29.55239 7.513471 
-0.9918041     11.90066 
1 1 1 3   27  37 o 24.76843 5.574511  178.7144       79.94072 4.879431       
139.3687 263.9507       97.59085 18.11868 8.255491 31.41818 7.493166 -13.29951 
11.14902 
1 1 1 3   28  0  o 50.44570 2.519110  545.5016       52.23486 504.2423       
80.86069 575.0492       68.42850 48.73625 3.951904 52.15514 3.125078 -3.418892 
5.038220 
1 1 1 3   28  1  o 26.32927 3.849210  133.2497       44.89310 287.8900       
72.62431 37.61610       57.11184 36.76380 4.705250 15.89475 6.093135 20.86905 
7.698421 
1 1 1 3   28  2  o 91.28200 2.207721  1745.892       81.50810 1810.504       
135.8589 1709.557       101.8801 92.52164 3.497564 90.04237 2.695028 2.479271 
4.415442 
1 1 1 3   28  3  o 77.37769 2.046170  1262.959       66.36539 1170.224       
93.02123 1359.095       94.71127 74.47408 2.975076 80.28131 2.810013 -5.807236 
4.092340 
1 1 1 3   28  4  o 61.83508 2.327611  806.9495       60.32401 800.0372       
82.77737 814.7781       88.09258 61.56256 3.202698 62.10760 3.378435 
-0.5450439     4.655223 
1 1 1 3   28  5  o 29.31698 4.020691  189.9720       47.55676 195.7745       
64.91808 183.2516       69.86488 29.87259 5.371742 28.76138 5.983998 1.111206 
8.041383 
1 1 1 3   28  6  o 87.24187 2.224960  1605.629       81.30092 1607.031       
111.2473 1604.023       119.1086 87.29748 3.035349 87.18626 3.253990 0.1112137 
4.449921 
1 1 1 3   28  7  o 25.25307 5.689987  142.2666       65.28123 67.49791       
136.1887 164.5712       74.38379 23.31907 9.285820 27.18707 6.578551 -3.867996 
11.37997 
1 1 1 3   28  8  o 91.01384 3.176594  1753.975       112.6989 1752.415       
136.1417 1757.369       200.8842 91.10450 3.559364 90.92318 5.262503 0.1813202 
6.353189 
1 1 1 3   28  9  o 154.6543 3.315629  5067.964       215.1777 5130.403       
309.8997 5009.837       299.0071 155.5556 4.745220 153.7529 4.632113 1.802734 
6.631258 
1 1 1 3   28  10 f 57.22703 3.050692  694.0287       72.90182 787.3016       
104.2481 604.7586       101.9866 61.02084 4.069217 53.43321 4.546247 7.587635 
6.101384 
1 1 1 3   28  11 o 28.82111 5.363421  179.6091       65.90940 232.2684       
101.1783 140.7911       86.86934 32.23452 7.592665 25.40770 7.577372 6.826828 
10.72684 
1 1 1 3   28  12 o 93.28340 2.657039  1856.135       102.6015 1711.239       
155.0621 1968.980       136.8411 89.95751 4.105721 96.60929 3.373795 -6.651779 
5.314079 
1 1 1 3   28  13 o 85.71468 2.689849  1548.551       94.62177 1569.264       
151.0634 1535.177       121.3839 86.12894 4.177640 85.30042 3.389464 0.8285217 
5.379698 
1 1 1 3   28  14 o 41.33994 4.145292  359.5208       71.46414 416.6222       
108.3764 315.5903       95.05915 44.20821 5.839191 38.47166 5.885375 5.736553 
8.290585 
1 1 1 3   28  15 o 61.07639 3.272644  773.1407       82.94543 922.5032       
129.6111 669.5422       107.9440 65.95271 4.680914 56.20008 4.574913 9.752628 
6.545287 
1 1 1 3   28  16 o 154.3095 3.494178  5054.557       226.2435 4825.575       
315.7104 5296.287       324.3791 150.7016 4.989902 157.9174 4.892646 -7.215851 
6.988355 
1 1 1 3   28  17 o 101.1984 3.163002  2159.437       133.7618 2297.028       
201.1458 2050.351       179.1028 104.0410 4.604977 98.35579 4.337340 5.685211 
6.326005 
1 1 1 3   28  18 o 35.88499 5.246369  291.3129       77.26692 222.3251       
114.3660 349.2460       104.8030 31.39739 8.477410 40.37260 6.183129 -8.975208 
10.49274 
1 1 1 3   28  19 o 79.83856 3.018402  1357.685       100.6507 1211.830       
143.3359 1499.561       141.3675 75.54082 4.519542 84.13630 4.002094 -8.595474 
6.036805 
1 1 1 3   28  20 o 82.22894 3.129209  1431.984       107.8548 1543.337       
157.2864 1333.152       148.1801 85.24384 4.394902 79.21403 4.455629 6.029816 
6.258418 
1 1 1 3   28  21 o 45.92170 4.389473  464.0555       80.41881 345.7865       
112.4758 587.7479       115.0258 39.39624 7.055554 52.44717 5.223893 -13.05093 
8.778947 
1 1 1 3   28  22 o 110.2575 3.066701  2586.867       141.9171 2543.445       
201.9344 2629.244       199.4900 109.3217 4.399718 111.1933 4.273302 -1.871536 
6.133403 
1 1 1 3   28  23 o 53.84055 8.949474  646.8243       202.2953 0.000000       
0.000000 646.8243       202.2953 ?        ?        53.84055 8.949474 ? ? 
1 1 1 3   28  24 o 26.74676 6.069466  153.7902       78.12737 201.8548       
116.1237 114.0413       105.6018 29.68831 8.737813 23.80521 8.426404 5.883095 
12.13893 
1 1 1 3   28  25 f 35.18568 4.977469  282.6086       71.51472 321.0732       
96.62034 236.0048       106.3529 38.43312 5.988029 31.93824 7.952629 6.494888 
9.954939 
1 1 1 3   28  26 o 69.63533 2.704999  1033.883       75.87202 1037.105       
126.5427 1032.074       94.80241 69.56103 4.333035 69.70963 3.239274 
-0.1486053     5.409998 
1 1 1 3   28  27 o 18.10679 5.237638  35.96821       61.72522 27.54857       
101.7322 40.87366       77.65170 18.64636 7.787102 17.56723 7.006601 1.079130 
10.47528 
1 1 1 3   28  28 o 38.12936 4.419567  301.1675       65.78312 505.1684       
109.2199 185.0340       82.40709 48.06564 5.412380 28.19307 6.988307 19.87257 
8.839134 
1 1 1 3   28  29 o 62.59335 2.999641  857.1995       75.25094 806.1490       
124.5078 886.5793       94.45439 60.82449 4.875726 64.36220 3.495524 -3.537708 
5.999283 
1 1 1 3   28  30 o 37.97503 4.950582  326.5544       70.67423 353.8433       
130.2628 315.1707       84.13370 38.14310 8.362860 37.80696 5.300529 0.3361359 
9.901163 
1 1 1 3   28  31 o 96.19286 2.657294  1998.975       99.13878 1992.878       
177.6628 2001.732       119.4688 95.57096 4.427838 96.81475 2.939233 -1.243790 
5.314587 
1 1 1 3   28  32 o 75.10133 3.111597  1146.591       88.85423 1453.640       
173.4484 1037.341       103.4610 80.88170 5.107885 69.32096 3.554949 11.56074 
6.223195 
1 1 1 3   28  33 o 25.22136 5.878993  162.1897       72.11466 112.8108       
132.0351 183.1822       86.08968 23.20275 9.173373 27.23998 7.355232 -4.037230 
11.75799 
1 1 1 3   28  34 o 27.50628 5.636580  196.0060       67.08074 178.6080       
119.5633 203.9982       81.03658 26.16879 8.994593 28.84376 6.795694 -2.674971 
11.27316 
1 1 1 3   28  35 o 24.76703 5.671921  74.78301       74.59752 351.2121       
139.9454 -34.93724      88.16783 35.36862 9.300430 14.16544 6.494978 21.20319 
11.34384 
1 1 1 3   28  36 o 35.17229 5.405519  307.9920       71.17834 385.0106       
135.8287 278.8355       83.57212 36.73700 8.889890 33.60757 6.152103 3.129429 
10.81104 
1 1 1 3   29  0  o 20.25254 4.798227  83.36327       49.39586 113.5843       
69.50406 52.52174       70.21394 22.60761 6.785046 17.89746 6.786390 4.710157 
9.596455 
1 1 1 3   29  1  o 36.75539 3.780791  290.0853       57.96751 294.6923       
87.31900 286.4551       77.51142 36.96870 5.625947 36.54208 5.052350 0.4266205 
7.561582 
1 1 1 3   29  2  o 66.64455 2.398470  943.7219       66.57368 915.5959       
99.83025 966.2474       89.33963 65.70625 3.618900 67.58284 3.148682 -1.876595 
4.796940 
1 1 1 3   29  3  o 41.87195 2.713393  372.7826       47.55916 404.0220       
67.09730 341.2406       67.42149 43.65869 3.660627 40.08522 4.006223 3.573471 
5.426786 
1 1 1 3   29  4  o 38.64378 3.134032  325.4583       48.92924 225.4763       
69.24740 425.1464       69.14552 32.48989 5.076639 44.79766 3.676459 -12.30777 
6.268064 
1 1 1 3   29  5  o 19.18462 4.593804  73.19456       45.18281 96.47322       
61.72746 46.32705       66.31522 21.07724 6.408036 17.29200 6.584013 3.785236 
9.187609 
1 1 1 3   29  6  o 109.4865 2.555561  2503.937       115.8182 2725.943       
182.4893 2354.204       149.8695 113.4436 3.831583 105.5293 3.382681 7.914291 
5.111121 
1 1 1 3   29  7  f 77.39285 4.491222  1272.338       145.9299 0.000000       
0.000000 1272.338       145.9299 ?        ?        77.39285 4.491222 ? ? 
1 1 1 3   29  8  o 29.68173 4.834921  198.9699       58.88645 177.9228       
88.04779 216.0029       79.20792 28.16038 7.364184 31.20307 6.266948 -3.042690 
9.669842 
1 1 1 3   29  9  o 78.64154 2.614471  1308.910       85.57430 1302.702       
129.6431 1313.704       113.9170 78.43613 3.936899 78.84694 3.441316 
-0.4108047     5.228942 
1 1 1 3   29  10 o 124.8399 3.061875  3307.446       160.1569 3336.704       
220.2051 3274.588       233.3591 125.4701 4.180307 124.2097 4.474969 1.260323 
6.123751 
1 1 1 3   29  11 o 133.9715 3.121758  3775.378       173.7637 3594.109       
227.6116 4028.611       269.0258 130.2289 4.163014 137.7140 4.653041 -7.485092 
6.243515 
1 1 1 3   29  12 o 28.90126 5.447942  187.9095       67.34573 177.4784       
98.87236 196.9376       91.98290 28.19053 7.988663 29.61199 7.409558 -1.421452 
10.89588 
1 1 1 3   29  13 o 38.01971 4.196813  309.6447       66.87996 303.8038       
96.83171 314.9728       92.48317 37.65281 6.125497 38.38661 5.738574 
-0.7338066     8.393625 
1 1 1 3   29  14 o 39.43484 4.544962  356.9077       69.05177 275.3693       
110.2734 409.5028       88.56504 34.98619 7.714831 43.88348 4.807091 -8.897289 
9.089925 
1 1 1 3   29  15 o 26.59246 5.497216  157.6705       65.73218 131.5183       
97.34035 179.5927       89.12116 24.89733 8.118267 28.28758 7.414261 -3.390255 
10.99443 
1 1 1 3   29  16 o 54.94332 3.445450  643.2804       79.08074 635.6296       
117.4436 649.6267       106.9637 54.60392 5.123027 55.28273 4.608589 
-0.6788063     6.890900 
1 1 1 3   29  17 o 81.26756 2.951436  1393.666       100.0839 1467.780       
151.6007 1336.410       133.2486 83.13641 4.343412 79.39873 3.997332 3.737679 
5.902872 
1 1 1 3   29  18 o 29.26529 5.757386  194.2066       74.06231 159.5909       
107.7606 225.1958       101.9598 26.99361 8.519538 31.53696 7.746449 -4.543352 
11.51477 
1 1 1 3   29  19 o 168.7721 3.631154  6085.488       257.2128 6025.687       
358.6736 6148.799       369.0562 167.9468 5.086848 169.5975 5.183155 -1.650665 
7.262308 
1 1 1 3   29  20 o 71.92235 3.144148  1099.925       94.61766 1120.969       
140.2398 1082.342       128.1898 72.51533 4.606408 71.32938 4.280615 1.185951 
6.288295 
1 1 1 3   29  21 o 87.91920 3.003375  1631.148       110.3599 1482.253       
147.9670 1817.814       165.6747 83.44452 4.223651 92.39389 4.271044 -8.949371 
6.006750 
1 1 1 3   29  22 o 48.46070 4.017224  507.5754       80.73855 611.8047       
116.4729 411.1629       112.0203 53.36580 5.198561 43.55560 6.125954 9.810196 
8.034448 
1 1 1 3   29  23 o 78.94598 3.220652  1331.476       106.5339 1375.404       
156.5883 1293.621       145.3609 80.12164 4.655117 77.77032 4.451996 2.351326 
6.441303 
1 1 1 3   29  24 o 36.96162 5.358027  313.2405       80.34499 330.9793       
115.8989 296.8286       111.4799 38.01802 7.529012 35.90523 7.625470 2.112789 
10.71605 
1 1 1 3   29  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   29  26 o 28.50632 6.379824  188.3883       87.69057 135.7169       
124.9993 239.4297       123.0500 25.36870 9.148747 31.64394 8.894327 -6.275232 
12.75965 
1 1 1 3   29  27 o 20.90528 5.404863  77.99833       67.38018 -4.627258      
104.1617 137.4521       88.35688 17.34053 7.573476 24.47002 7.713146 -7.129498 
10.80973 
1 1 1 3   29  28 o 83.22173 2.852528  1507.880       93.95365 1442.703       
160.3774 1541.936       115.9299 81.46227 4.689298 84.98118 3.249329 -3.518913 
5.705055 
1 1 1 3   29  29 o 16.27371 5.103461  -9.483564      64.89670 -21.60710      
117.8115 -4.202280      77.75757 17.55027 7.830726 14.99715 6.546830 2.553118 
10.20692 
1 1 1 3   29  30 o 32.05843 5.324524  281.0289       71.80789 132.7468       
131.4387 344.1158       85.73309 24.67356 9.305840 39.44329 5.177217 -14.76973 
10.64905 
1 1 1 3   29  31 o 42.33210 4.783823  458.8647       70.64555 327.9438       
129.0289 514.9135       84.42403 36.05192 8.627198 48.61227 4.136579 -12.56035 
9.567645 
1 1 1 3   29  32 o 27.89433 5.622242  176.6906       63.81646 251.2268       
120.7990 147.8355       75.16074 31.11264 8.834463 24.67603 6.956342 6.436615 
11.24448 
1 1 1 3   29  33 o 16.00182 5.167474  -26.20268      70.51707 -29.72340      
132.0089 -24.79689      83.41583 17.68069 8.050192 14.32294 6.481169 3.357740 
10.33495 
1 1 1 3   29  34 o 63.48618 3.655838  946.9587       88.42938 838.4389       
156.3798 997.9718       107.2179 59.56168 6.253669 67.41069 3.788433 -7.849014 
7.311675 
1 1 1 3   29  35 o 45.15513 5.261512  568.3765       82.51256 404.1915       
149.4836 640.3223       98.95317 37.08930 9.545752 53.22096 4.428617 -16.13166 
10.52302 
1 1 1 3   29  36 o 32.33861 5.507333  280.8944       70.64514 295.0267       
124.1075 274.1204       85.92403 31.68373 8.941178 32.99350 6.432588 -1.309774 
11.01467 
1 1 1 3   30  0  o 18.05206 4.762414  57.93443       48.23145 57.26128       
65.05616 58.75600       71.87100 17.77947 6.578739 18.32464 6.887853 
-0.5451698     9.524827 
1 1 1 3   30  1  f 51.57313 2.934459  569.1365       63.52075 570.4666       
90.92415 567.8684       88.77810 51.62118 4.195391 51.52508 4.104009 
0.9609985E-01  5.868917 
1 1 1 3   30  2  o 62.30017 3.093645  832.3993       80.25420 818.0170       
120.8615 843.7418       107.3324 61.73587 4.663064 62.86447 4.066742 -1.128593 
6.187290 
1 1 1 3   30  3  o 18.71227 5.101962  33.69414       53.64255 108.1406       
100.2212 3.803177       63.50494 23.16907 8.208150 14.25547 6.061876 8.913600 
10.20392 
1 1 1 3   30  4  o 51.94027 2.555265  573.2435       55.66575 601.7461       
78.66413 544.6552       78.78252 53.24976 3.518683 50.63077 3.706264 2.618988 
5.110531 
1 1 1 3   30  5  o 58.02219 2.461987  708.4221       59.71641 804.8884       
88.59771 628.1132       80.83818 61.62407 3.424469 54.42031 3.538153 7.203762 
4.923973 
1 1 1 3   30  6  o 37.05356 3.684408  292.4365       57.13271 322.4304       
84.78034 267.4834       77.32854 38.78353 5.206776 35.32359 5.214302 3.459946 
7.368816 
1 1 1 3   30  7  o 47.00168 5.755198  475.1757       113.5671 475.1757       
113.5671 0.000000       0.000000 47.00168 5.755198 ?        ?        ? ? 
1 1 1 3   30  8  o 52.56087 3.075632  583.6359       67.08688 614.7052       
104.1133 561.5767       87.72752 53.70367 4.617673 51.41808 4.063882 2.285587 
6.151264 
1 1 1 3   30  9  o 85.36232 2.470208  1539.568       88.08684 1572.919       
131.9046 1512.722       118.3431 86.16273 3.646376 84.56190 3.333415 1.600822 
4.940416 
1 1 1 3   30  10 o 155.9908 3.057283  5078.538       189.8356 5470.978       
330.3721 4885.090       231.9520 160.1190 4.914523 151.8626 3.638046 8.256409 
6.114566 
1 1 1 3   30  11 o 55.24983 3.122855  652.3315       72.06020 607.7710       
104.9688 692.0496       99.10117 53.41230 4.681015 57.08736 4.134851 -3.675060 
6.245710 
1 1 1 3   30  12 o 21.67674 5.567089  85.36014       65.74107 105.7062       
96.03307 67.41623       90.18597 23.03605 8.047182 20.31744 7.694984 2.718605 
11.13418 
1 1 1 3   30  13 o 68.59787 2.894534  1003.986       82.93589 915.0793       
119.5035 1086.595       115.1933 65.60593 4.338692 71.58981 3.832631 -5.983887 
5.789068 
1 1 1 3   30  14 o 27.76196 5.305050  169.8943       62.36256 197.1809       
98.91602 151.8935       80.34113 29.50159 7.847432 26.02234 7.140872 3.479250 
10.61010 
1 1 1 3   30  15 o 51.04359 3.479664  555.9554       74.49750 562.9844       
108.0178 549.5792       102.8806 51.33516 5.011888 50.75203 4.828377 0.5831261 
6.959328 
1 1 1 3   30  16 f 66.82540 3.013736  962.3369       83.32034 850.6235       
124.0659 1054.117       112.4536 63.15646 4.679030 70.49435 3.799618 -7.337891 
6.027472 
1 1 1 3   30  17 o 79.14702 2.964560  1327.882       97.76794 1116.843       
134.1885 1566.664       142.7366 72.41048 4.414026 85.88356 3.958642 -13.47308 
5.929121 
1 1 1 3   30  18 o 53.56060 3.584551  611.5165       80.35306 682.8956       
117.9103 549.6238       109.7959 56.48513 4.972086 50.63607 5.164724 5.849060 
7.169102 
1 1 1 3   30  19 o 29.58893 5.642815  193.3648       75.70934 107.2808       
103.4966 292.4534       111.0393 23.34082 8.333920 35.83705 7.609941 -12.49623 
11.28563 
1 1 1 3   30  20 o 32.20071 5.733780  243.3260       78.40515 288.9335       
105.8329 187.8436       116.7295 35.66105 7.320384 28.74037 8.827056 6.920681 
11.46756 
1 1 1 3   30  21 o 26.51844 6.035022  156.5717       75.91283 157.9088       
114.3804 155.5191       101.4864 26.72398 8.800201 26.31289 8.260896 0.4110813 
12.07004 
1 1 1 3   30  22 o 66.58455 3.341335  947.3501       92.68046 994.2833       
141.4271 912.0240       122.6989 67.94432 4.957932 65.22478 4.480735 2.719543 
6.682669 
1 1 1 3   30  23 o 42.31243 4.701994  396.2964       79.70048 521.0992       
118.8071 294.1746       107.4706 48.88514 5.788775 35.73972 7.411146 13.14542 
9.403989 
1 1 1 3   30  24 o 26.85347 6.056016  165.8802       77.04491 156.4686       
112.3082 174.2469       105.8907 26.31321 8.720123 27.39373 8.405997 -1.080524 
12.11203 
1 1 1 3   30  25 o 58.36813 4.054595  747.8912       99.24293 704.0574       
139.6474 792.6192       141.0647 56.57452 5.879401 60.16175 5.584946 -3.587238 
8.109191 
1 1 1 3   30  26 o 23.52434 6.285953  101.8736       87.17420 155.5195       
124.8809 50.88841       121.7448 26.23378 9.175415 20.81490 8.594450 5.418880 
12.57191 
1 1 1 3   30  27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   30  28 o 27.96083 6.081546  167.6935       94.67474 -7.074552      
135.9900 332.0696       131.8849 19.24046 8.513399 36.68121 8.686936 -17.44074 
12.16309 
1 1 1 3   30  29 o 89.89128 2.954175  1749.972       102.0573 1771.602       
186.3953 1740.711       121.9635 89.66481 4.951468 90.11774 3.223596 
-0.4529343     5.908351 
1 1 1 3   30  30 o 27.53483 5.074927  206.2088       70.49249 17.37370       
129.3947 285.9076       84.06223 19.39703 8.456653 35.67263 5.612894 -16.27560 
10.14985 
1 1 1 3   30  31 o 44.87323 4.308681  447.5980       76.27791 503.4450       
135.5776 421.7335       92.26576 46.27280 6.978841 43.47367 5.055165 2.799133 
8.617361 
1 1 1 3   30  32 o 42.18439 4.027854  381.7276       68.19977 496.8123       
119.7391 326.4654       82.97385 46.30923 6.158704 38.05956 5.192764 8.249668 
8.055708 
1 1 1 3   30  33 o 54.41222 3.654353  654.8691       80.06129 741.8203       
136.7576 609.5304       98.75249 56.57527 5.757659 52.24917 4.501837 4.326099 
7.308705 
1 1 1 3   30  34 o 42.81253 5.147373  479.6521       79.82244 420.3729       
144.9313 505.4631       95.63430 38.60260 9.083760 47.02245 4.844283 -8.419853 
10.29475 
1 1 1 3   30  35 o 21.44058 5.784711  119.9284       75.57117 44.99910       
136.1421 153.2981       90.85368 19.20431 8.505128 23.67686 7.843107 -4.472553 
11.56942 
1 1 1 3   31  0  o 46.81655 2.979049  477.9194       57.77787 552.1776       
80.53595 399.1666       82.93746 50.72741 3.781536 42.90570 4.604228 7.821705 
5.958097 
1 1 1 3   31  1  o 15.67462 4.642822  10.47333       51.27757 -12.45750      
67.52248 41.71544       78.81498 13.72119 6.044288 17.62804 7.049098 -3.906852 
9.285645 
1 1 1 3   31  2  o 48.16855 3.514812  508.4576       70.20625 451.3273       
103.5580 557.0468       95.50361 45.49225 5.422098 50.84486 4.473978 -5.352608 
7.029625 
1 1 1 3   31  3  o 28.81516 5.269052  193.7722       64.41972 175.5242       
93.79580 210.0655       88.63001 27.48209 7.778618 30.14823 7.109480 -2.666136 
10.53810 
1 1 1 3   31  4  o 37.15660 4.276395  307.6754       63.66962 227.3389       
87.91599 396.2833       92.33105 31.51174 6.837340 42.80146 5.138191 -11.28972 
8.552791 
1 1 1 3   31  5  o 37.84099 3.873549  335.2467       55.49923 236.5622       
87.23100 402.3607       71.93707 32.26575 6.666480 43.41622 3.946588 -11.15047 
7.747097 
1 1 1 3   31  6  o 68.22670 3.526342  976.6916       88.84331 1056.204       
176.1415 949.5611       102.8900 69.65416 6.023316 66.79925 3.668789 2.854912 
7.052684 
1 1 1 3   31  7  o 83.42377 2.723882  1478.649       94.25063 1503.569       
145.4910 1460.628       123.7207 83.93992 4.128465 82.90763 3.554423 1.032288 
5.447765 
1 1 1 3   31  8  o 172.5840 3.423038  6389.826       247.8997 6362.941       
355.7595 6415.202       345.6265 172.1689 4.921786 172.9991 4.758654 
-0.8301849     6.846077 
1 1 1 3   31  9  o 123.1565 2.984024  3211.787       150.8251 3345.026       
242.1766 3127.363       192.7750 125.0379 4.613298 121.2752 3.786169 3.762772 
5.968048 
1 1 1 3   31  10 o 96.80977 2.633877  1990.736       107.0206 1963.572       
149.2058 2019.519       153.5894 96.13866 3.696652 97.48087 3.752865 -1.342209 
5.267754 
1 1 1 3   31  11 o 40.05809 4.009136  342.7151       66.93924 375.2716       
102.3969 318.4189       88.45812 41.66664 5.853551 38.44954 5.479837 3.217098 
8.018271 
1 1 1 3   31  12 o 72.71423 2.868062  1121.283       87.18639 985.1070       
119.6592 1275.394       127.2951 67.99149 4.191918 77.43697 3.915473 -9.445480 
5.736123 
1 1 1 3   31  13 o 31.30167 5.257239  223.6100       68.14742 230.1235       
96.10802 217.0237       96.64423 31.78626 7.343948 30.81707 7.524671 0.9691906 
10.51448 
1 1 1 3   31  14 o 72.22762 2.893282  1112.854       87.42702 1088.472       
128.3094 1133.984       119.4467 71.43951 4.278004 73.01573 3.896538 -1.576225 
5.786564 
1 1 1 3   31  15 o 71.63583 2.896268  1055.546       85.57204 1328.822       
137.0399 880.8918       109.5561 78.96293 4.133758 64.30873 4.057773 14.65420 
5.792536 
1 1 1 3   31  16 o 48.79972 3.989971  530.7815       78.90751 426.3999       
120.1580 609.9288       104.6305 44.22763 6.471130 53.37181 4.669469 -9.144184 
7.979942 
1 1 1 3   31  17 o 71.79942 3.003977  1101.345       90.40821 1025.614       
127.2839 1178.455       128.4369 69.26978 4.376741 74.32907 4.115780 -5.059296 
6.007954 
1 1 1 3   31  18 o 44.84803 4.155650  428.1061       76.58446 570.2643       
116.6548 320.4262       101.5276 51.37860 5.408059 38.31746 6.311150 13.06115 
8.311300 
1 1 1 3   31  19 o 134.5551 3.508485  3899.641       198.1315 3925.347       
277.2266 3872.802       283.2716 135.0577 4.889186 134.0524 5.033263 1.005325 
7.016970 
1 1 1 3   31  20 o 24.33364 5.578578  108.6876       73.41650 222.5974       
107.5416 9.262527       100.4718 30.86686 8.169601 17.80042 7.598669 13.06644 
11.15716 
1 1 1 3   31  21 o 66.75215 3.268865  958.3264       91.50154 895.5107       
127.4797 1025.080       131.4155 64.46632 4.710091 69.03799 4.533978 -4.571663 
6.537730 
1 1 1 3   31  22 o 51.44376 4.079780  575.7915       87.81168 621.2101       
131.0005 538.7322       118.3324 53.24169 5.860603 49.64584 5.677300 3.595848 
8.159559 
1 1 1 3   31  23 o 57.05324 3.764297  698.3496       88.81828 890.2330       
134.3806 549.5009       118.3559 64.02676 4.999147 50.07972 5.629233 13.94705 
7.528595 
1 1 1 3   31  24 o 32.59609 5.802440  252.7832       79.26613 276.9594       
117.2297 232.4201       107.5883 34.00167 8.278180 31.19051 8.132957 2.811157 
11.60488 
1 1 1 3   31  25 f 24.38119 6.447070  119.9086       91.14018 162.9620       
124.2255 69.71882       134.1265 26.55713 9.164382 22.20526 9.070443 4.351866 
12.89414 
1 1 1 3   31  26 o 52.20551 4.464561  613.7895       97.40329 552.1724       
138.0811 674.8175       137.4194 49.39895 6.657905 55.01207 5.949919 -5.613121 
8.929123 
1 1 1 3   31  27 o 39.35963 5.869298  378.0510       94.00700 408.8053       
133.3918 347.7045       132.5046 41.18365 8.000337 37.53562 8.590068 3.648033 
11.73860 
1 1 1 3   31  28 o 64.04961 4.023900  910.4359       107.3463 1084.378       
159.7247 767.1511       144.9673 69.74039 5.455176 58.35884 5.916766 11.38155 
8.047799 
1 1 1 3   31  29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   31  30 o 33.80438 6.441924  312.7953       97.87645 208.1245       
151.8523 387.1852       128.0164 28.16959 10.09111 39.43916 8.010180 -11.26957 
12.88385 
1 1 1 3   31  31 o 41.42284 4.733216  393.9859       74.14332 447.6796       
135.1574 370.8724       88.67711 42.29789 7.904319 40.54779 5.209132 1.750092 
9.466432 
1 1 1 3   31  32 o 29.15677 5.954273  227.0609       74.67849 217.0001       
133.4300 231.6498       90.11447 27.95103 9.504814 30.36251 7.174398 -2.411489 
11.90855 
1 1 1 3   31  33 o 22.69722 5.139606  129.6667       69.65283 -33.12490      
115.8807 221.7505       87.15388 16.06354 7.398950 29.33090 7.135666 -13.26736 
10.27921 
1 1 1 3   31  34 o 25.92933 6.145289  183.2343       73.94667 232.7352       
135.9899 162.4532       88.11180 27.43727 9.576878 24.42138 7.703359 3.015886 
12.29058 
1 1 1 3   32  0  o 32.08929 3.925858  231.1567       51.00214 179.7468       
69.64974 290.5951       74.89096 27.79839 6.132491 36.38020 4.903265 -8.581808 
7.851717 
1 1 1 3   32  1  o 48.24973 3.098811  502.1917       62.54403 449.3810       
84.98664 564.5850       92.37590 45.47461 4.451463 51.02484 4.312192 -5.550232 
6.197622 
1 1 1 3   32  2  o 42.46288 3.928513  409.8341       65.13359 278.5673       
91.41840 545.1664       92.82328 34.76638 6.504137 50.15937 4.407841 -15.39298 
7.857026 
1 1 1 3   32  3  o 35.45848 4.642727  287.4112       66.99849 272.5833       
100.5249 299.2620       89.86845 34.11689 7.237763 36.80008 5.816740 -2.683193 
9.285455 
1 1 1 3   32  4  o 50.14134 3.820315  553.9570       79.53300 520.2629       
119.3069 580.9061       106.6994 48.58309 5.849269 51.69958 4.915821 -3.116493 
7.640631 
1 1 1 3   32  5  o 29.20227 5.239428  195.9575       64.39280 239.7342       
97.33793 161.8906       85.86724 32.03989 7.382987 26.36465 7.436257 5.675238 
10.47886 
1 1 1 3   32  6  o 45.67704 7.471057  469.9203       143.2712 0.000000       
0.000000 469.9203       143.2712 ?        ?        45.67704 7.471057 ? ? 
1 1 1 3   32  7  o 23.57823 5.104038  120.2699       63.35616 16.99642       
96.14262 199.5409       84.23234 17.74281 7.497741 29.41364 6.927388 -11.67083 
10.20808 
1 1 1 3   32  8  o 79.62249 2.661160  1347.345       88.75478 1248.413       
120.9260 1462.875       130.6768 76.46734 3.766732 82.77764 3.760162 -6.310303 
5.322319 
1 1 1 3   32  9  o 82.95760 2.647396  1475.885       91.55128 1391.336       
135.3509 1547.191       124.3000 80.66277 3.996768 85.25242 3.472846 -4.589645 
5.294791 
1 1 1 3   32  10 o 42.29377 3.767068  382.1796       66.41746 443.6359       
101.0227 335.3922       88.14553 45.24876 5.317818 39.33877 5.337041 5.909992 
7.534136 
1 1 1 3   32  11 o 159.1380 3.274454  5444.469       218.6509 5425.429       
314.1294 5462.364       304.5321 158.8022 4.711650 159.4737 4.548468 
-0.6714172     6.548909 
1 1 1 3   32  12 o 15.74798 4.912861  -21.16718      63.13555 4.162971       
95.73713 -40.66104      83.98669 17.19913 7.382107 14.29682 6.484546 2.902311 
9.825723 
1 1 1 3   32  13 o 54.83609 3.418969  647.8762       78.57984 694.9944       
111.7557 601.8009       110.5121 56.85215 4.682135 52.82003 4.983473 4.032127 
6.837937 
1 1 1 3   32  14 o 97.09029 3.008327  2011.033       121.3300 2071.882       
186.7174 1966.562       159.6235 98.22899 4.527580 95.95159 3.962468 2.277397 
6.016655 
1 1 1 3   32  15 o 88.44363 2.779287  1660.603       102.8825 1516.216       
139.4921 1832.840       152.3527 84.24833 3.943749 92.63892 3.917217 -8.390594 
5.558574 
1 1 1 3   32  16 o 77.40964 2.958180  1280.285       95.55700 1311.663       
143.9569 1255.570       127.7637 78.17902 4.385946 76.64026 3.970741 1.538757 
5.916359 
1 1 1 3   32  17 o 70.72357 3.019632  1063.961       89.25018 1169.589       
134.2684 980.3436       119.4626 73.82034 4.332304 67.62682 4.207595 6.193520 
6.039264 
1 1 1 3   32  18 o 76.01979 3.033417  1240.176       96.63435 1141.302       
134.9600 1344.198       138.4293 72.86308 4.411827 79.17650 4.164403 -6.313416 
6.066834 
1 1 1 3   32  19 o 48.05534 3.887803  503.4778       78.06364 506.3050       
116.2585 501.1565       105.3440 48.09057 5.758188 48.02012 5.225259 
0.7044983E-01  7.775607 
1 1 1 3   32  20 o 18.54478 5.547913  17.14911       75.89696 -23.52544      
113.7842 49.75190       101.8704 17.42758 7.739579 19.66197 7.950865 -2.234385 
11.09583 
1 1 1 3   32  21 o 49.29310 3.954165  534.1379       81.63941 560.0552       
113.7523 506.6078       117.2377 50.61780 5.352760 47.96839 5.821480 2.649410 
7.908329 
1 1 1 3   32  22 o 63.85817 3.565650  883.6569       95.27136 963.7992       
141.9686 817.9960       128.5035 66.45338 5.088576 61.26296 4.996181 5.190426 
7.131300 
1 1 1 3   32  23 o 24.96158 6.041731  141.5687       76.18282 145.9040       
110.3131 137.6158       105.3366 25.27179 8.642323 24.65138 8.445136 0.6204071 
12.08346 
1 1 1 3   32  24 o 62.45701 3.865706  858.7788       101.1932 810.5538       
138.3519 914.2575       148.3928 60.59378 5.438489 64.32024 5.495233 -3.726467 
7.731413 
1 1 1 3   32  25 o 53.64504 4.363113  646.1488       97.34472 538.5458       
134.4437 764.7244       141.1321 48.71518 6.573509 58.57490 5.738989 -9.859718 
8.726226 
1 1 1 3   32  26 o 42.41075 5.481665  432.0200       94.28178 335.2299       
132.5927 531.0071       134.0891 36.61894 8.734538 48.20256 6.625893 -11.58362 
10.96333 
1 1 1 3   32  27 o 29.40255 6.589794  220.7338       91.97142 252.3711       
129.7583 188.7934       130.3784 31.31799 9.242632 27.48711 9.395494 3.830883 
13.17959 
1 1 1 3   32  28 o 63.63863 4.093480  906.9392       108.7441 1031.391       
164.3630 810.0543       145.0214 67.46606 5.802827 59.81119 5.775249 7.654873 
8.186959 
1 1 1 3   32  29 o 44.56863 5.564226  472.9293       100.0596 639.6868       
155.3404 354.6773       130.8114 51.92389 7.125875 37.21338 8.547770 14.71050 
11.12845 
1 1 1 3   32  30 o 19.77822 6.044862  9.452467       93.81840 120.8185       
145.7593 -69.31976      122.5876 23.62517 9.528287 15.93127 7.441316 7.693895 
12.08972 
1 1 1 3   32  31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   32  32 o 48.09425 5.625034  531.2374       104.3099 948.3761       
183.8358 333.1709       126.6763 61.59854 7.108545 34.58997 8.719669 27.00857 
11.25007 
1 1 1 3   32  33 o 26.68356 5.744921  146.2341       69.08077 362.8315       
133.8217 67.54740       80.65857 35.36112 8.991162 18.00599 7.153704 17.35513 
11.48984 
1 1 1 3   33  0  f 21.26462 4.849148  104.6382       49.35758 118.9699       
71.75389 91.76629       68.00150 22.39532 6.929296 20.13392 6.785410 2.261406 
9.698296 
1 1 1 3   33  1  o 17.52681 4.824604  47.76707       53.40820 81.78224       
71.51084 4.861086       80.31461 19.53895 6.932335 15.51467 6.711925 4.024284 
9.649208 
1 1 1 3   33  2  o 36.05894 4.211269  297.4026       61.33113 237.7973       
85.59631 360.2896       87.92104 31.77865 6.632368 40.33924 5.191421 -8.560589 
8.422539 
1 1 1 3   33  3  o 75.51563 2.793160  1230.973       88.46272 1193.822       
121.7745 1272.486       128.7249 74.33762 3.901834 76.69362 3.997832 -2.355995 
5.586320 
1 1 1 3   33  4  o 25.54477 5.705954  154.2834       68.07317 161.9506       
102.0768 148.1425       91.35335 26.05735 8.298739 25.03218 7.833426 1.025175 
11.41191 
1 1 1 3   33  5  o 58.40363 3.127678  732.2647       76.26054 844.1934       
114.3928 642.7273       102.3128 62.40271 4.366329 54.40455 4.479358 7.998158 
6.255355 
1 1 1 3   33  6  o 59.49379 6.383238  792.6422       159.4379 792.6422       
159.4379 0.000000       0.000000 59.49379 6.383238 ?        ?        ? ? 
1 1 1 3   33  7  o 106.2047 3.037465  2432.000       135.2808 2529.268       
197.1758 2345.494       185.9493 108.1751 4.341574 104.2343 4.249177 3.940826 
6.074930 
1 1 1 3   33  8  o 65.40633 3.360075  923.8423       91.93046 985.7252       
137.3347 873.6018       123.7435 67.33121 4.858308 63.48143 4.642979 3.849781 
6.720150 
1 1 1 3   33  9  o 24.05998 5.581782  130.9039       65.64169 111.1921       
94.98233 148.9260       90.82019 22.78839 7.998994 25.33157 7.787251 -2.543177 
11.16356 
1 1 1 3   33  10 o 40.89455 4.163620  368.5244       71.48018 373.7723       
101.1984 363.2993       100.9784 41.19733 5.850942 40.59177 5.925317 0.6055641 
8.327239 
1 1 1 3   33  11 o 19.10467 5.399134  45.26949       64.62628 79.81279       
103.2717 23.03441       82.85501 21.29082 8.184331 16.91852 7.044099 4.372301 
10.79827 
1 1 1 3   33  12 o 57.02966 3.137654  698.5517       74.70158 728.2098       
112.6537 675.2761       99.79858 58.04042 4.623127 56.01891 4.243369 2.021511 
6.275308 
1 1 1 3   33  13 f 71.75771 2.945350  1104.868       88.61613 1146.171       
129.4196 1068.411       121.5907 72.99433 4.223105 70.52109 4.106790 2.473244 
5.890699 
1 1 1 3   33  14 o 86.24035 2.887028  1599.376       104.3826 1514.564       
148.3545 1682.527       146.8948 83.91097 4.211174 88.56973 3.950409 -4.658752 
5.774055 
1 1 1 3   33  15 o 37.99262 4.918517  339.3981       74.70900 451.6001       
104.4601 221.9136       106.8908 45.43276 5.476491 30.55247 8.171614 14.88029 
9.837033 
1 1 1 3   33  16 o 18.91987 5.422704  40.17741       69.03522 -7.817039      
104.0400 77.93201       92.27624 17.21993 7.544505 20.61982 7.791233 -3.399887 
10.84541 
1 1 1 3   33  17 o 114.3383 2.988655  2816.185       143.4548 2829.024       
204.2879 2803.696       201.4924 114.5815 4.246679 114.0952 4.206419 0.4862595 
5.977310 
1 1 1 3   33  18 o 31.90389 5.363386  237.4282       70.38979 267.0967       
107.6030 215.2352       93.06455 33.57684 7.779314 30.23093 7.385519 3.345913 
10.72677 
1 1 1 3   33  19 o 37.92934 5.143026  329.6815       79.90021 411.1890       
117.8459 260.3351       108.6994 42.83610 6.552781 33.02259 7.928679 9.813511 
10.28605 
1 1 1 3   33  20 o 23.14039 5.980034  110.6728       76.09650 133.0145       
110.3099 90.38728       105.1116 24.46776 8.617111 21.81303 8.293890 2.654732 
11.96007 
1 1 1 3   33  21 o 72.76846 3.258151  1149.796       99.43513 1203.701       
144.6902 1101.554       136.8796 74.36669 4.634275 71.17023 4.581014 3.196465 
6.516302 
1 1 1 3   33  22 o 41.18256 5.329493  414.3742       87.34133 230.2122       
123.5974 598.0713       123.4413 30.47300 9.028281 51.89211 5.666049 -21.41911 
10.65899 
1 1 1 3   33  23 o 78.64180 3.350421  1356.587       110.2372 1316.298       
161.1495 1392.021       151.1304 77.38714 4.959993 79.89647 4.505525 -2.509331 
6.700842 
1 1 1 3   33  24 f 41.29144 5.316665  404.0162       90.06745 386.5715       
129.2323 420.4928       125.5948 39.90389 7.996029 42.67898 7.009367 -2.775089 
10.63333 
1 1 1 3   33  25 o 67.77360 3.670626  1019.863       104.4083 984.8941       
145.9974 1056.467       149.3718 66.56099 5.224520 68.98621 5.157361 -2.425217 
7.341252 
1 1 1 3   33  26 f 35.85123 5.615118  319.3635       92.67728 113.8800       
128.8142 539.8671       133.4391 23.34523 9.105935 48.35723 6.572682 -25.01201 
11.23024 
1 1 1 3   33  27 o 45.87065 5.312859  498.5223       99.04925 610.9957       
150.8175 413.2162       131.3460 50.89560 7.058177 40.84570 7.942797 10.04989 
10.62572 
1 1 1 3   33  28 o 34.14098 6.242564  297.0186       90.61988 391.5880       
139.4766 227.9368       119.2087 38.85585 8.759196 29.42611 8.896905 9.429743 
12.48513 
1 1 1 3   33  29 o 18.91730 5.867201  12.70796       88.86599 70.41401       
137.7829 -28.39566      116.2852 21.21182 8.970299 16.62278 7.565048 4.589035 
11.73440 
1 1 1 3   33  30 o 35.50045 5.659504  287.3952       95.05390 621.7222       
155.2498 86.91221       120.2220 50.05962 7.386937 20.94127 8.576312 29.11836 
11.31901 
1 1 1 3   33  31 f 22.18442 6.400634  116.1950       92.81151 137.0347       
146.7944 102.3166       119.7939 23.18457 9.482896 21.18426 8.599252 2.000309 
12.80127 
1 1 1 3   33  32 o 17.25002 5.640235  -22.09243      94.75340 -1.064632      
148.1129 -36.66059      123.2816 18.33783 8.412298 16.16221 7.515466 2.175617 
11.28047 
1 1 1 3   34  0  o 39.14478 6.275586  357.2028       103.1352 0.000000       
0.000000 357.2028       103.1352 ?        ?        39.14478 6.275586 ? ? 
1 1 1 3   34  1  o 22.05723 4.967966  109.1689       55.82460 48.27201       
77.41674 175.1335       80.57367 17.41691 6.977279 26.69754 7.073918 -9.280630 
9.935932 
1 1 1 3   34  2  o 36.01461 4.299356  299.9416       63.71570 288.8968       
89.02412 311.5410       91.23165 35.03962 6.278979 36.98960 5.874716 -1.949989 
8.598713 
1 1 1 3   34  3  o 20.48455 5.310979  88.77573       60.81276 111.9733       
81.38683 59.45240       91.50388 21.96244 7.423248 19.00667 7.597458 2.955769 
10.62196 
1 1 1 3   34  4  o 41.04189 4.041638  376.0789       69.22748 324.4524       
93.96261 437.3736       102.3834 37.89055 5.906704 44.19321 5.518170 -6.302662 
8.083276 
1 1 1 3   34  5  o 35.89860 5.718251  294.4129       84.07658 459.9514       
137.6532 195.9098       106.1846 43.67267 7.787481 28.12453 8.375484 15.54814 
11.43650 
1 1 1 3   34  6  o 21.23016 5.857007  71.95863       83.93135 143.3458       
101.0501 -86.84811      150.7166 24.64304 8.271518 17.81727 8.294582 6.825773 
11.71401 
1 1 1 3   34  7  o 20.48730 5.661220  74.12646       70.92217 55.54995       
105.2528 89.57549       95.98482 19.79413 8.051900 21.18048 7.960185 -1.386345 
11.32244 
1 1 1 3   34  8  o 55.67928 3.799670  666.9926       87.08091 782.2895       
141.0507 595.9814       110.6955 59.30233 5.665323 52.05624 5.064987 7.246086 
7.599340 
1 1 1 3   34  9  o 94.22902 2.939296  1927.444       115.9142 1822.996       
167.4559 2023.530       160.6131 91.63341 4.352790 96.82463 3.951082 -5.191223 
5.878591 
1 1 1 3   34  10 o 40.94605 4.611785  388.9047       75.61797 336.3416       
113.4411 430.9363       101.4420 37.73465 7.425160 44.15746 5.471860 -6.422802 
9.223571 
1 1 1 3   34  11 o 52.03731 3.425925  589.5989       74.63454 617.1353       
110.6316 566.5992       101.1085 53.09857 4.962693 50.97604 4.724354 2.122524 
6.851850 
1 1 1 3   34  12 o 59.18970 3.314524  766.1912       81.53831 738.6617       
122.9410 787.8105       108.9481 58.06751 5.042949 60.31189 4.302666 -2.244377 
6.629048 
1 1 1 3   34  13 o 66.73177 3.115013  963.4778       86.65557 984.6938       
131.0801 947.0073       115.4934 67.26501 4.641608 66.19852 4.155564 1.066490 
6.230027 
1 1 1 3   34  14 o 28.82373 5.339209  186.2341       72.55916 325.7158       
107.8190 70.77254       98.09692 37.31599 7.136908 20.33148 7.943120 16.98451 
10.67842 
1 1 1 3   34  15 o 65.86354 3.307137  944.9530       91.42776 967.3320       
129.3026 922.5769       129.2942 66.67271 4.619343 65.05436 4.733950 1.618355 
6.614273 
1 1 1 3   34  16 o 34.53421 5.362368  284.7916       77.51838 216.6572       
111.8552 347.7563       107.5279 29.79392 8.514292 39.27451 6.521258 -9.480591 
10.72474 
1 1 1 3   34  17 o 45.61996 4.417532  467.2780       84.54214 461.7522       
121.4603 472.4711       117.7475 45.29117 6.387659 45.94874 6.103783 
-0.6575661     8.835064 
1 1 1 3   34  18 o 21.63028 5.788964  86.76714       73.35546 51.37526       
100.5841 126.9782       107.2136 19.38199 7.875636 23.87857 8.486623 -4.496580 
11.57793 
1 1 1 3   34  19 o 76.84027 3.090504  1284.398       99.14004 1277.674       
147.9108 1289.883       133.5906 76.51165 4.604617 77.16888 4.123394 
-0.6572342     6.181009 
1 1 1 3   34  20 o 32.60585 5.470593  258.6740       73.77138 240.8130       
108.5341 274.0120       100.5767 31.31919 8.169610 33.89250 7.277845 -2.573307 
10.94119 
1 1 1 3   34  21 o 34.28413 5.713995  286.6379       80.75484 310.9854       
120.0710 266.5284       109.1217 35.57011 8.202284 32.99815 7.957480 2.571964 
11.42799 
1 1 1 3   34  22 f 47.69418 4.078496  508.1111       81.13087 536.9587       
123.1390 485.9830       107.8482 48.74501 6.017090 46.64336 5.507370 2.101654 
8.156991 
1 1 1 3   34  23 o 115.5164 3.557560  2955.326       172.1687 2909.833       
235.2687 3007.777       252.6233 114.7374 4.884053 116.2954 5.174067 -1.557983 
7.115120 
1 1 1 3   34  24 o 20.22558 5.846205  29.11351       85.49437 143.7369       
124.9119 -71.90485      117.2647 24.74946 9.123748 15.70170 7.312295 9.047762 
11.69241 
1 1 1 3   34  25 o 84.23468 3.791189  1598.933       133.2924 1403.569       
187.4508 1798.749       189.5750 78.68100 5.674643 89.78837 5.029006 -11.10737 
7.582378 
1 1 1 3   34  26 o 22.16720 6.257763  98.09271       87.81892 108.8900       
126.6011 88.07904       121.9205 22.73484 8.984442 21.59956 8.713106 1.135279 
12.51553 
1 1 1 3   34  27 o 22.19167 6.259391  98.77937       88.64418 138.9445       
129.4546 63.32044       121.6342 24.05746 9.187651 20.32589 8.503352 3.731569 
12.51878 
1 1 1 3   34  28 o 16.76198 5.460047  -42.13923      88.65276 -22.17518      
131.6573 -58.70015      119.9121 17.64445 8.035237 15.87952 7.394822 1.764928 
10.92009 
1 1 1 3   34  29 o 22.10379 6.265769  97.41135       88.33238 187.4534       
141.4375 39.83345       113.1019 25.74150 9.665096 18.46607 7.976551 7.275434 
12.53154 
1 1 1 3   34  30 o 39.23507 5.468390  374.5433       96.40190 793.0139       
156.0852 116.4693       122.5748 56.70771 6.556026 21.76243 8.753954 34.94528 
10.93678 
1 1 1 3   34  31 o 18.99362 5.929194  45.05059       91.54987 50.39875       
142.9087 41.32806       119.2273 19.59552 8.691635 18.39173 8.067021 1.203789 
11.85839 
1 1 1 3   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 3   35  1  o 36.19436 4.188387  304.6339       61.61963 373.1079       
93.59156 252.2411       81.86717 40.14920 5.552402 32.23952 6.272254 7.909676 
8.376774 
1 1 1 3   35  2  o 20.46777 5.222067  94.87302       59.62683 128.2468       
79.98566 53.12726       89.45722 22.75426 7.356121 18.18129 7.414001 4.572966 
10.44413 
1 1 1 3   35  3  o 50.99680 3.382962  574.2136       71.87472 487.2984       
96.48533 682.5780       107.7350 46.61584 4.930022 55.37775 4.633855 -8.761909 
6.765924 
1 1 1 3   35  4  o 24.05519 5.563843  143.8404       65.25928 160.9949       
85.15783 119.4318       101.5798 25.46125 7.479105 22.64913 8.239441 2.812119 
11.12769 
1 1 1 3   35  5  o 21.19082 8.418140  85.76099       111.6810 0.000000       
0.000000 85.76099       111.6810 ?        ?        21.19082 8.418140 ? ? 
1 1 1 3   35  6  o 66.34810 3.183152  970.0044       88.32904 868.0533       
123.8103 1075.681       126.0522 62.65014 4.707125 70.04607 4.286349 -7.395931 
6.366303 
1 1 1 3   35  7  o 21.75865 6.166146  84.80865       88.44041 130.6700       
104.6531 -29.77594      165.4214 23.63389 8.386177 19.88341 9.041984 3.750479 
12.33229 
1 1 1 3   35  8  o 43.22366 4.707249  437.9284       82.55304 408.2337       
122.7492 462.4510       111.5482 41.23309 7.355348 45.21423 5.876360 -3.981144 
9.414497 
1 1 1 3   35  9  o 55.37573 4.009669  688.3375       93.13688 701.9850       
135.0503 675.9595       128.6160 55.84058 5.760586 54.91088 5.579017 0.9296913 
8.019338 
1 1 1 3   35  10 o 151.8933 3.903361  5158.625       248.8597 5142.675       
355.3603 5173.977       348.6181 151.5532 5.585022 152.2334 5.454579 
-0.6801605     7.806722 
1 1 1 3   35  11 o 27.15337 5.690948  162.2007       79.70190 304.7202       
116.8340 38.14402       109.0039 35.20391 8.072756 19.10284 8.023602 16.10107 
11.38190 
1 1 1 3   35  12 o 19.59007 5.772974  44.27868       79.01325 61.00438       
113.8360 28.72965       109.7587 20.42538 8.351954 18.75476 7.972062 1.670630 
11.54595 
1 1 1 3   35  13 o 47.91874 3.949966  511.8218       79.30282 530.0672       
116.6306 496.1331       108.1511 48.64612 5.710648 47.19136 5.458702 1.454758 
7.899932 
1 1 1 3   35  14 o 18.59391 5.213971  -6.240911      71.11742 141.7084       
106.1091 -126.9032      95.82567 24.57013 8.470675 12.61770 6.081910 11.95243 
10.42794 
1 1 1 3   35  15 o 40.79257 4.902252  411.1134       77.33064 279.3880       
117.8619 510.6813       102.4704 33.52313 8.386850 48.06200 5.078290 -14.53887 
9.804503 
1 1 1 3   35  16 o 41.34068 4.662888  389.7383       80.75102 414.3831       
119.1524 368.8041       109.8164 42.50103 6.677660 40.18032 6.509910 2.320709 
9.325775 
1 1 1 3   35  17 o 57.80278 3.532078  737.4013       85.23588 747.4027       
127.7026 729.3660       114.4645 58.00818 5.243623 57.59739 4.733573 0.4107933 
7.064156 
1 1 1 3   35  18 o 38.48277 5.348460  358.4989       83.08754 346.7673       
122.5519 368.4786       113.0317 37.58974 8.003980 39.37579 7.096506 -1.786049 
10.69692 
1 1 1 3   35  19 o 19.24237 5.629282  40.18054       75.91179 88.14680       
108.6065 -5.637639      106.1467 21.41386 8.359464 17.07089 7.541528 4.342970 
11.25856 
1 1 1 3   35  20 o 49.68728 4.396899  584.1978       85.02260 407.6202       
122.3957 748.8618       118.1946 41.17945 7.343587 58.19511 4.837624 -17.01566 
8.793797 
1 1 1 3   35  21 o 58.74538 3.653745  775.7490       88.67764 732.0591       
135.4333 808.5366       117.3251 56.93382 5.665996 60.55694 4.614748 -3.623116 
7.307490 
1 1 1 3   35  22 o 23.14450 5.969173  121.4488       78.48612 62.12572       
119.4519 166.5158       104.1144 20.47494 8.487130 25.81405 8.395995 -5.339111 
11.93835 
1 1 1 3   35  23 o 52.03334 4.666232  637.4133       99.60654 664.8433       
130.2878 598.8300       154.5222 54.02884 5.743800 50.03784 7.355518 3.991001 
9.332464 
1 1 1 3   35  24 o 45.31528 5.007024  489.3085       95.22359 472.4867       
132.9309 507.0385       136.4718 44.48811 7.117101 46.14245 7.044716 -1.654335 
10.01405 
1 1 1 3   35  25 o 46.11729 5.294053  524.4434       97.90397 653.0421       
140.7149 403.7792       136.3047 52.77750 6.350562 39.45709 8.472210 13.32042 
10.58811 
1 1 1 3   35  26 o 61.02727 4.079474  862.9985       104.1566 775.4438       
145.1338 955.9821       149.5657 57.59967 6.001635 64.45487 5.527098 -6.855206 
8.158948 
1 1 1 3   35  27 o 24.94339 6.364714  155.5198       87.18584 246.4552       
134.8734 90.24422       114.2708 29.13085 9.556087 20.75592 8.409492 8.374933 
12.72943 
1 1 1 3   35  28 o 21.86680 6.089340  88.74407       86.87436 216.6196       
135.0511 -1.522237      113.4664 26.93113 9.529559 16.80247 7.583385 10.12866 
12.17868 
1 1 1 3   35  29 o 37.89167 5.705768  359.7694       92.92625 654.5350       
152.1627 184.4458       117.3519 50.61604 7.160465 25.16730 8.885431 25.44874 
11.41154 
1 1 1 3   36  1  o 28.08043 5.262463  208.6970       61.56403 225.8815       
101.5149 198.7001       77.42741 28.41038 8.108752 27.75047 6.709858 0.6599064 
10.52493 
1 1 1 3   36  2  o 38.25678 3.970432  346.3558       63.43015 304.2739       
88.24849 391.3328       91.23351 35.62761 5.899859 40.88595 5.314977 -5.258339 
7.940864 
1 1 1 3   36  3  o 19.16738 5.344912  69.72983       64.91917 27.09951       
87.83926 121.0447       96.37202 16.46537 7.069243 21.86940 8.018612 -5.404034 
10.68982 
1 1 1 3   36  4  o 17.59049 5.108212  31.23461       66.81930 102.5115       
88.82245 -61.69225      101.4190 20.82020 7.690419 14.36078 6.725534 6.459425 
10.21642 
1 1 1 3   36  5  o 51.33786 5.593245  607.7620       120.5537 0.000000       
0.000000 607.7620       120.5537 ?        ?        51.33786 5.593245 ? ? 
1 1 1 3   36  6  o 18.20428 5.635654  1.186186       83.18362 77.59898       
126.4583 -57.09518      110.4407 21.05959 8.731167 15.34897 7.128052 5.710622 
11.27131 
1 1 1 3   36  7  o 24.83258 5.837109  150.0894       75.38155 79.83091       
106.0682 221.7901       107.1513 20.46256 8.179623 29.20260 8.329534 -8.740040 
11.67422 
1 1 1 3   36  8  o 27.89352 5.960049  191.3759       79.49578 290.4375       
119.2076 112.0404       106.6806 33.49325 8.468035 22.29379 8.389345 11.19947 
11.92010 
1 1 1 3   36  9  o 97.13943 3.483859  2058.659       139.3722 2356.597       
224.7792 1872.578       177.6416 102.3477 5.231173 91.93114 4.602599 10.41657 
6.967717 
1 1 1 3   36  10 o 29.30567 6.099270  222.2773       80.46504 196.9718       
114.4621 247.0011       113.1389 27.62913 8.786617 30.98220 8.461662 -3.353069 
12.19854 
1 1 1 3   36  11 o 30.11610 5.807379  226.3793       77.38469 304.6071       
114.4431 160.4812       105.0377 34.86232 7.986530 25.36988 8.433145 9.492437 
11.61476 
1 1 1 3   36  12 o 60.39544 3.823358  820.8341       96.89188 858.4710       
138.3935 784.6489       135.6979 61.80814 5.333238 58.98274 5.479857 2.825401 
7.646716 
1 1 1 3   36  13 o 56.49207 3.909801  719.3643       92.24100 729.1282       
137.8979 711.4581       124.0890 56.64133 5.798897 56.34280 5.245852 0.2985306 
7.819602 
1 1 1 3   36  14 o 43.37953 5.069431  449.4595       89.89204 435.8455       
131.5223 461.3942       123.1440 42.17955 7.713981 44.57952 6.579590 -2.399967 
10.13886 
1 1 1 3   36  15 o 24.96444 5.256588  71.03146       78.22894 334.2654       
124.0688 -102.6856      100.7889 36.39740 8.300217 13.53148 6.452386 22.86592 
10.51318 
1 1 1 3   36  16 o 78.38692 3.195888  1350.972       104.9879 1248.084       
144.4862 1466.062       152.8142 75.18587 4.577319 81.58798 4.461272 -6.402115 
6.391776 
1 1 1 3   36  17 o 46.92838 4.367929  506.7720       85.86617 544.3728       
121.7527 469.5634       121.1160 48.81519 5.940794 45.04156 6.404855 3.773632 
8.735857 
1 1 1 3   36  18 o 38.62559 5.412715  371.1319       85.45791 461.5345       
119.4241 276.2605       122.3401 44.64025 6.372156 32.61093 8.751318 12.02932 
10.82543 
1 1 1 3   36  19 o 47.98362 4.128879  525.9594       83.05663 490.6584       
116.2740 562.7381       118.6827 46.23811 5.989678 49.72913 5.684570 -3.491020 
8.257758 
1 1 1 3   36  20 o 56.05111 4.010433  716.1028       94.05695 716.7028       
138.5969 715.5906       128.0603 55.88483 5.907185 56.21738 5.425814 
-0.3325462     8.020865 
1 1 1 3   36  21 o 30.02760 5.951415  235.5395       78.14169 220.7699       
115.3564 248.0636       106.2255 28.94727 8.751941 31.10794 8.067271 -2.160677 
11.90283 
1 1 1 3   36  22 o 30.12185 6.709913  247.0885       94.13325 224.1784       
125.4725 276.5856       142.3722 28.78296 9.204183 31.46073 9.765999 -2.677767 
13.41983 
1 1 1 3   36  23 o 16.97421 5.494734  -31.76355      87.17586 -29.48320      
112.6257 -35.17163      137.6866 16.27847 7.418173 17.66996 8.107966 -1.391483 
10.98947 
1 1 1 3   36  24 o 25.21165 6.418556  130.3886       96.86519 0.1917758      
127.4907 308.1816       148.9826 17.98288 8.081451 32.44041 9.974046 -14.45754 
12.83711 
1 1 1 3   36  25 f 19.35667 5.904812  44.17299       90.97250 97.86736       
116.9705 -38.02555      144.7252 21.09417 8.524002 17.61917 8.173654 3.474998 
11.80962 
1 1 1 3   36  26 o 29.84232 6.528852  258.2208       95.19571 162.6412       
130.3265 367.5464       139.3835 24.12209 9.216735 35.56255 9.249618 -11.44046 
13.05770 
1 1 1 3   36  27 o 19.28343 5.900965  55.77187       87.21126 89.24802       
132.5950 30.24839       115.7789 20.69064 8.777324 17.87621 7.889496 2.814426 
11.80193 
1 1 1 3   37  4  f 17.03128 5.183665  35.87947       66.79116 31.84198       
89.98908 40.83181       99.66409 16.58345 7.138561 17.47912 7.518144 
-0.8956699     10.36733 
1 1 1 3   37  5  o 44.72125 7.345605  514.5274       137.9178 0.000000       
0.000000 514.5274       137.9178 ?        ?        44.72125 7.345605 ? ? 
1 1 1 3   37  6  o 26.15393 6.337479  160.2995       91.15968 346.5221       
146.9150 43.71575       116.2436 33.77340 9.792585 18.53445 8.047349 15.23895 
12.67496 
1 1 1 3   37  7  o 33.33436 5.752657  302.6879       80.38452 258.2831       
116.6204 342.8818       110.9530 30.32415 8.702813 36.34456 7.525510 -6.020412 
11.50531 
1 1 1 3   37  8  o 22.09714 6.015711  112.0728       81.15260 60.50117       
113.0492 166.9028       116.5658 19.36624 8.154397 24.82804 8.846520 -5.461809 
12.03142 
1 1 1 3   37  9  o 38.22214 5.458359  374.7169       86.03537 506.7266       
124.4458 253.8528       119.0765 46.05520 6.436097 30.38908 8.817675 15.66612 
10.91672 
1 1 1 3   37  10 o 29.45730 6.530428  237.5465       89.90201 285.2274       
134.9470 199.4974       120.5491 31.86669 9.432166 27.04791 9.034389 4.818783 
13.06086 
1 1 1 3   37  11 o 60.29820 3.851873  826.8589       97.12638 920.1602       
145.0354 750.9943       130.7825 63.35279 5.452923 57.24361 5.441815 6.109184 
7.703747 
1 1 1 3   37  12 o 33.52731 5.733140  298.0206       82.09660 207.5906       
118.5994 381.2156       113.7562 27.75796 8.955816 39.29667 7.160234 -11.53871 
11.46628 
1 1 1 3   37  13 o 67.06226 3.716844  1023.428       104.4484 986.2738       
150.3054 1058.124       145.2491 65.69186 5.449844 68.43266 5.055582 -2.740807 
7.433687 
1 1 1 3   37  14 o 15.35278 5.105568  -92.86403      84.70599 -32.12101      
126.7310 -141.9137      113.8814 17.16989 7.836707 13.53567 6.546245 3.634220 
10.21114 
1 1 1 3   37  15 o 37.48048 5.776072  365.1149       89.73273 304.2861       
134.0221 414.5390       120.8068 33.37803 9.250277 41.58294 6.919857 -8.204914 
11.55214 
1 1 1 3   37  16 o 33.59926 6.276075  302.4073       88.96796 305.4391       
139.9274 300.3499       115.2672 33.15878 9.538275 34.03974 8.159522 
-0.8809624     12.55215 
1 1 1 3   37  17 o 70.48738 3.522599  1116.579       101.8160 1143.686       
162.7205 1099.138       130.5241 70.66497 5.484778 70.30978 4.421768 0.3551865 
7.045198 
1 1 1 3   37  18 o 65.48517 3.672360  973.2291       100.2864 993.1189       
151.2085 957.6094       133.9988 65.80227 5.473391 65.16806 4.897643 0.6342087 
7.344720 
1 1 1 3   37  19 o 23.55909 6.142751  135.4430       82.49504 85.69036       
116.5714 185.3568       116.7600 20.86317 8.478137 26.25500 8.891274 -5.391834 
12.28550 
1 1 1 3   37  20 o 40.10944 5.207327  401.2538       84.15105 554.0663       
124.0213 270.8753       114.5565 48.47478 6.093987 31.74410 8.445611 16.73068 
10.41465 
1 1 1 3   37  21 o 20.00296 6.068701  58.52094       91.74668 35.01756       
132.5417 80.14301       127.1265 19.26719 8.477915 20.73874 8.685705 -1.471540 
12.13740 
1 1 1 3   37  22 o 23.64499 6.341035  149.3587       87.90319 172.6959       
115.3398 117.0210       135.7722 24.97238 8.809706 22.31760 9.122718 2.654778 
12.68207 
1 1 1 3   37  23 o 18.60072 5.942237  3.959990       97.32399 -43.79771      
126.5415 73.11963       152.2782 16.30037 7.593002 20.90108 9.142594 -4.600704 
11.88447 
1 1 1 3   37  24 o 22.78330 6.339384  112.1607       93.46133 19.82044       
122.4521 241.0200       144.6534 17.85510 7.974644 27.71149 9.856785 -9.856392 
12.67877 
1 1 1 3   37  25 o 17.92708 5.794423  2.050340       95.58906 0.4361268      
121.7950 4.639449       154.2496 17.13546 7.783338 18.71871 8.586093 -1.583246 
11.58885 
1 1 1 3   38  8  o 17.94879 5.552207  37.28610       79.74629 25.15668       
118.8619 47.21528       107.5423 17.79176 7.904710 18.10582 7.798946 
-0.3140564     11.10441 
1 1 1 3   38  9  o 46.06155 4.995028  542.6561       93.51376 472.7083       
131.5817 614.0397       132.9254 42.14499 7.724543 49.97812 6.335035 -7.833134 
9.990057 
1 1 1 3   38  10 o 26.08796 5.999072  180.4551       88.82253 34.07301       
125.7717 326.1057       125.4570 18.46967 8.177911 33.70625 8.779365 -15.23659 
11.99814 
1 1 1 3   38  11 o 23.64418 6.040967  132.2939       88.61469 265.1095       
125.4751 0.1326132      125.1657 29.90201 9.145226 17.38636 7.895439 12.51566 
12.08193 
1 1 1 3   38  12 o 55.66771 4.044952  732.1871       94.23483 796.7641       
140.2073 678.9803       127.2668 57.83077 5.774745 53.50465 5.665585 4.326115 
8.089904 
1 1 1 3   38  13 o 30.02034 6.334807  266.5355       88.26598 214.0260       
133.7365 307.0617       117.4896 26.76587 9.481856 33.27481 8.403187 -6.508936 
12.66961 
1 1 1 3   38  14 o 29.57546 5.796283  250.1210       90.81010 59.67285       
135.7222 404.4871       122.1908 19.91784 8.672457 39.23308 7.692599 -19.31524 
11.59257 
1 1 1 3   38  15 o 19.22821 5.805066  21.33797       88.66469 150.8154       
131.9489 -85.25639      119.7225 23.59662 9.213589 14.85979 7.064342 8.736829 
11.61013 
1 1 1 3   38  16 o 28.37421 6.319039  229.4688       88.52455 319.5959       
127.9387 146.6849       122.6161 33.41995 8.940690 23.32847 8.932250 10.09148 
12.63808 
1 1 1 3   38  17 o 45.82586 5.267325  545.3293       97.10052 467.9567       
141.1589 614.8242       133.7798 41.41599 8.410971 50.23573 6.343062 -8.819736 
10.53465 
1 1 1 3   38  18 o 63.69027 3.925656  956.5581       104.8533 987.7520       
152.6717 928.7086       144.2558 64.56862 5.631942 62.81191 5.470314 1.756706 
7.851312 
1 1 1 3   38  19 f 34.18233 5.821784  336.0601       85.61563 250.8464       
135.9141 392.1170       110.2362 28.57643 9.592884 39.78825 6.599186 -11.21182 
11.64357 
1 1 1 3   38  20 o 21.39816 6.185648  106.9955       87.03939 137.7095       
135.5439 85.44327       113.5425 22.76323 9.185162 20.03309 8.287448 2.730146 
12.37130 
1 1 1 3   38  21 o 38.67749 6.298477  432.4893       100.0296 457.8896       
134.1600 400.6922       150.1056 41.06855 8.068537 36.28642 9.673778 4.782135 
12.59695 
1 1 1 4   -33 0  o 49.78837 5.976418  676.9682       110.3708 715.7158       
134.9156 598.5676       191.9110 54.98108 5.844807 44.59566 10.42634 10.38542 
11.95284 
1 1 1 4   -33 1  o 29.01403 6.885872  239.7161       93.84055 192.8027       
113.5943 340.5358       166.5257 25.89921 8.769911 32.12885 10.61836 -6.229647 
13.77174 
1 1 1 4   -33 2  o 26.81362 6.961067  221.6329       99.17251 211.8185       
120.1094 242.6575       175.7966 26.67977 9.017900 26.94747 10.60676 
-0.2676983     13.92213 
1 1 1 4   -32 0  o 18.23507 5.885270  -41.27132      93.20335 -83.14022      
113.2961 46.38765       163.9334 14.90665 7.005537 21.56348 9.458755 -6.656836 
11.77054 
1 1 1 4   -32 1  o 30.58368 6.673552  248.6271       88.72462 230.1235       
105.6316 292.9554       163.4953 29.62863 8.212634 31.53874 10.52130 -1.910112 
13.34710 
1 1 1 4   -32 2  o 32.21785 6.662822  298.6037       94.28397 306.7748       
114.7920 281.6631       165.2857 34.08265 8.125545 30.35306 10.56164 3.729593 
13.32564 
1 1 1 4   -32 3  o 32.37112 6.770677  278.3404       90.69015 226.1660       
106.6037 415.0173       172.5408 28.56671 8.360606 36.17553 10.65216 -7.608822 
13.54135 
1 1 1 4   -32 4  o 38.27125 6.131910  412.7226       90.60505 415.3996       
107.2832 406.0639       169.1999 41.28798 6.189125 35.25452 10.58754 6.033459 
12.26382 
1 1 1 4   -31 0  o 77.60571 4.668588  1420.326       129.1574 1454.385       
149.7160 1321.225       255.3799 81.45468 4.377976 73.75673 8.247192 7.697952 
9.337176 
1 1 1 4   -31 1  o 24.25429 5.837338  132.0757       88.32382 240.2296       
108.2879 -82.87500      152.6611 30.78218 8.221124 17.72640 8.289221 13.05578 
11.67468 
1 1 1 4   -31 2  o 41.58418 5.393827  424.2971       86.62089 428.1268       
106.7951 416.9330       148.0914 43.23529 5.883475 39.93306 9.042024 3.302227 
10.78765 
1 1 1 4   -31 3  o 55.38578 4.290470  707.9525       98.96400 682.1803       
131.0716 742.1271       150.9330 54.50696 5.727668 56.26460 6.389548 -1.757637 
8.580939 
1 1 1 4   -31 4  o 32.69712 5.722780  267.2525       78.35371 195.3448       
101.0023 375.9295       124.1687 27.22371 8.181026 38.17053 8.004477 -10.94682 
11.44556 
1 1 1 4   -31 5  f 29.69670 5.865306  225.3852       76.65571 154.7447       
97.58025 339.2395       123.8824 24.09850 8.128265 35.29489 8.458048 -11.19639 
11.73061 
1 1 1 4   -31 6  o 21.93415 8.600358  123.4131       115.2165 0.000000       
0.000000 123.4131       115.2165 ?        ?        21.93415 8.600358 ? ? 
1 1 1 4   -30 0  f 61.08998 3.811893  812.9605       94.22676 775.9124       
117.4301 879.9387       157.8928 59.55583 4.696520 62.62412 6.005399 -3.068291 
7.623786 
1 1 1 4   -30 1  o 20.99952 5.396348  12.92514       81.73272 208.2045       
113.9207 -194.2164      117.3297 28.90652 8.688825 13.09251 6.402078 15.81401 
10.79270 
1 1 1 4   -30 2  o 63.66632 3.746949  911.2530       98.63719 964.4129       
131.4712 842.7975       149.1911 66.18309 4.731565 61.14954 5.811266 5.033546 
7.493899 
1 1 1 4   -30 3  o 43.77782 5.145039  463.4110       90.36081 520.6989       
122.5884 395.2527       133.7142 47.75069 6.114920 39.80495 8.276078 7.945740 
10.29008 
1 1 1 4   -30 4  f 107.7271 3.763762  2619.074       166.9998 2656.996       
217.6655 2564.808       260.3795 109.4290 4.737819 106.0251 5.849502 3.403809 
7.527523 
1 1 1 4   -30 5  o 27.77394 6.733154  205.7809       93.74731 200.7140       
150.1750 209.0163       120.0009 27.44022 10.01475 28.10767 9.002570 
-0.6674519     13.46631 
1 1 1 4   -30 6  o 24.08908 9.393915  141.7863       137.0743 141.7863       
137.0743 0.000000       0.000000 24.08908 9.393915 ?        ?        ? ? 
1 1 1 4   -30 7  o 22.05836 8.430544  119.5562       109.0658 119.5562       
109.0658 0.000000       0.000000 22.05836 8.430544 ?        ?        ? ? 
1 1 1 4   -30 8  o 18.20587 5.611220  39.28800       80.66602 51.49620       
114.5360 27.27271       113.6274 18.68284 8.048027 17.72890 7.821280 0.9539375 
11.22244 
1 1 1 4   -29 0  o 21.77128 5.849087  87.24960       76.04752 124.1285       
97.35904 29.53730       121.7927 23.65603 8.117929 19.88653 8.422974 3.769497 
11.69817 
1 1 1 4   -29 1  o 51.86854 4.854393  642.9684       95.31288 863.9493       
131.8906 401.4076       137.8954 62.85866 4.997695 40.87842 8.323675 21.98024 
9.708786 
1 1 1 4   -29 2  o 39.63256 4.924118  359.8229       79.22987 343.6090       
103.7879 382.4683       122.6569 39.07575 6.326458 40.18938 7.547428 -1.113628 
9.848235 
1 1 1 4   -29 3  f 32.86400 5.738771  262.9716       78.58263 243.5944       
106.2218 286.3981       116.7943 31.57384 7.999955 34.15416 8.230110 -2.580317 
11.47754 
1 1 1 4   -29 4  o 20.67654 5.730030  76.23461       72.45207 60.16101       
98.34573 95.31289       107.1442 19.53712 7.848488 21.81597 8.350701 -2.278852 
11.46006 
1 1 1 4   -29 5  o 16.72186 7.508639  -21.43761      109.8550 0.000000       
0.000000 -21.43761      109.8550 ?        ?        16.72186 7.508639 ? ? 
1 1 1 4   -29 6  o 23.08559 8.178506  125.4766       99.49838 125.4766       
99.49838 0.000000       0.000000 23.08559 8.178506 ?        ?        ? ? 
1 1 1 4   -29 7  o 31.85880 5.900988  262.1094       79.51754 260.6172       
106.1029 264.0214       120.1037 32.03259 7.923287 31.68501 8.746895 0.3475780 
11.80198 
1 1 1 4   -29 8  o 26.00703 6.002081  145.0792       85.90734 19.04982       
113.3722 315.0178       131.6487 17.99717 7.880386 34.01690 9.055353 -16.01973 
12.00416 
1 1 1 4   -29 9  o 22.11159 5.465857  114.4845       72.40454 200.4142       
95.98803 1.050375       110.2852 27.36926 7.908833 16.85391 7.546702 10.51535 
10.93171 
1 1 1 4   -29 10 o 39.32588 5.303609  405.6801       84.31149 388.4392       
116.8666 424.3925       121.7523 38.42429 7.512402 40.22747 7.488451 -1.803177 
10.60722 
1 1 1 4   -28 0  o 85.89713 3.610748  1537.598       119.3080 1451.809       
141.0127 1753.724       223.8184 82.32462 4.079901 89.46964 5.958559 -7.145012 
7.221497 
1 1 1 4   -28 1  o 58.70556 3.491721  741.5983       84.50241 719.4016       
108.9378 775.1305       133.8951 57.77005 4.491557 59.64107 5.347372 -1.871017 
6.983442 
1 1 1 4   -28 2  o 23.08058 5.951467  108.1795       74.44924 99.54768       
98.75124 119.5460       113.3202 22.21880 8.119885 23.94236 8.703292 -1.723560 
11.90293 
1 1 1 4   -28 3  o 45.19257 4.481739  453.4190       84.60199 431.0331       
113.0822 481.8780       127.5020 44.02542 6.118034 46.35972 6.550846 -2.334301 
8.963477 
1 1 1 4   -28 4  o 58.32491 5.947215  757.7736       145.6286 0.000000       
0.000000 757.7736       145.6286 ?        ?        58.32491 5.947215 ? ? 
1 1 1 4   -28 5  o 42.89881 8.521354  449.2547       148.0204 449.2547       
148.0204 0.000000       0.000000 42.89881 8.521354 ?        ?        ? ? 
1 1 1 4   -28 6  o 27.57092 7.474561  184.2245       88.68495 184.2245       
88.68495 0.000000       0.000000 27.57092 7.474561 ?        ?        ? ? 
1 1 1 4   -28 7  o 23.09670 5.837908  86.59093       73.96393 14.49905       
91.52313 222.3151       125.5788 16.79354 7.213248 29.39986 9.181162 -12.60632 
11.67582 
1 1 1 4   -28 8  o 17.18030 5.480875  -26.53944      81.79812 -50.35586      
104.9581 10.30321       130.5428 15.32306 7.051165 19.03753 8.392915 -3.714467 
10.96175 
1 1 1 4   -28 9  o 38.58006 5.105025  359.9642       80.56834 298.6844       
110.6543 429.1063       117.5388 34.40435 7.833840 42.75576 6.547982 -8.351414 
10.21005 
1 1 1 4   -28 10 o 31.50283 5.783322  267.4891       79.37111 326.1429       
107.2709 196.5297       117.9883 36.05308 7.341720 26.95258 8.937919 9.100504 
11.56664 
1 1 1 4   -28 11 o 15.54956 5.014516  -22.34943      72.71101 -22.06335      
97.95546 -22.70048      108.5105 15.20440 6.925887 15.89472 7.253522 
-0.6903200     10.02903 
1 1 1 4   -28 12 o 37.65412 5.306147  376.7877       81.83319 433.2133       
113.1148 314.8254       118.5346 41.89132 6.431562 33.41692 8.441315 8.474396 
10.61229 
1 1 1 4   -27 0  o 42.44954 4.222853  387.8569       74.30785 371.6738       
96.83991 411.0287       115.8785 41.47383 5.561620 43.42525 6.355969 -1.951420 
8.445706 
1 1 1 4   -27 1  o 101.5447 3.498901  2260.292       134.4808 2318.638       
160.2561 2121.394       247.2613 104.3734 3.657174 98.71588 5.966096 5.657555 
6.997802 
1 1 1 4   -27 2  o 48.40843 3.948071  492.5353       77.83942 444.2194       
97.06123 579.6124       130.3024 45.33122 5.099991 51.48565 6.028196 -6.154423 
7.896142 
1 1 1 4   -27 3  o 72.80624 3.912816  1155.502       118.8524 1156.366       
178.1653 1154.810       159.5384 72.67748 5.839080 72.93501 5.210150 
-0.2575226     7.825633 
1 1 1 4   -27 4  o 38.66192 8.731018  358.1368       138.3787 0.000000       
0.000000 358.1368       138.3787 ?        ?        38.66192 8.731018 ? ? 
1 1 1 4   -27 5  o 21.39809 7.493078  97.18468       83.30571 97.18468       
83.30571 0.000000       0.000000 21.39809 7.493078 ?        ?        ? ? 
1 1 1 4   -27 6  o 95.28823 3.798213  1765.733       120.8064 1628.670       
132.9078 2417.243       289.7681 87.11037 3.634140 103.4661 6.670734 -16.35571 
7.596425 
1 1 1 4   -27 7  o 49.47786 4.297242  531.2991       86.25473 482.4764       
107.0427 621.6951       145.6535 46.65181 5.465246 52.30391 6.632966 -5.652096 
8.594483 
1 1 1 4   -27 8  o 59.41300 4.347701  812.8822       100.0631 840.1378       
121.9629 756.7568       175.0168 61.86444 4.695779 56.96156 7.318447 4.902885 
8.695402 
1 1 1 4   -27 9  o 37.58582 5.413061  339.5850       81.98668 302.8435       
108.1059 389.3264       125.7853 35.24398 7.526962 39.92765 7.781372 -4.683670 
10.82612 
1 1 1 4   -27 10 o 27.85514 4.915596  188.1889       74.88953 341.9681       
99.45924 -13.14672      113.8038 38.55448 6.144568 17.15581 7.674412 21.39867 
9.831191 
1 1 1 4   -27 11 o 23.29248 5.776465  129.7904       74.30627 185.6091       
99.93257 60.76648       111.1264 26.83663 8.152287 19.74834 8.185988 7.088285 
11.55293 
1 1 1 4   -27 12 o 19.83517 5.716949  73.47793       75.50754 92.57614       
103.5226 51.76817       110.3739 20.67385 8.138799 18.99649 8.030814 1.677361 
11.43390 
1 1 1 4   -27 13 o 50.32402 4.252620  602.8585       88.09228 465.1652       
119.3705 767.5253       130.5401 43.48481 6.538535 57.16323 5.439364 -13.67842 
8.505240 
1 1 1 4   -26 0  o 58.87142 3.498500  699.3497       80.57254 634.5550       
95.87182 855.1741       148.6752 54.63467 4.179686 63.10817 5.611437 -8.473499 
6.997000 
1 1 1 4   -26 1  o 118.4427 3.956907  3008.646       177.7846 2996.194       
210.4608 3039.669       332.1974 118.6332 4.225578 118.2523 6.691258 0.3808823 
7.913814 
1 1 1 4   -26 2  o 21.16260 5.706589  34.68127       78.53078 154.7065       
116.7613 -64.46067      106.1186 26.67118 8.891322 15.65403 7.155770 11.01715 
11.41318 
1 1 1 4   -26 3  o 67.83754 4.931540  988.9678       140.4532 0.000000       
0.000000 988.9678       140.4532 ?        ?        67.83754 4.931540 ? ? 
1 1 1 4   -26 4  o 22.35094 7.781503  103.5117       89.73251 103.5117       
89.73251 0.000000       0.000000 22.35094 7.781503 ?        ?        ? ? 
1 1 1 4   -26 5  o 70.77467 3.834825  1107.167       108.0713 1151.715       
134.9666 1027.569       180.4101 73.21436 4.390876 68.33499 6.288380 4.879372 
7.669649 
1 1 1 4   -26 6  o 76.08707 3.566049  1206.626       107.2287 1114.514       
129.2046 1410.464       192.2036 71.97081 4.276050 80.20333 5.708083 -8.232521 
7.132098 
1 1 1 4   -26 7  o 31.57383 6.033927  249.6257       82.76899 288.0781       
104.4004 184.5619       135.8032 35.08171 7.326990 28.06595 9.588969 7.015757 
12.06785 
1 1 1 4   -26 8  o 33.93018 5.371894  288.0710       78.74505 395.6628       
105.3137 151.6442       118.5891 42.15973 5.949881 25.70063 8.945830 16.45910 
10.74379 
1 1 1 4   -26 9  o 26.42381 6.033073  167.2506       77.34351 201.3032       
108.8736 132.5567       109.8940 28.64140 8.470505 24.20621 8.593162 4.435194 
12.06615 
1 1 1 4   -26 10 o 45.83968 4.223333  471.9143       80.81920 451.5070       
107.8483 498.0532       122.0572 44.84457 5.728284 46.83477 6.207490 -1.990200 
8.446667 
1 1 1 4   -26 11 o 16.33895 5.079002  -27.13198      71.05708 -103.9457      
98.98343 54.54263       102.0673 13.37378 6.381258 19.30411 7.903454 -5.930331 
10.15800 
1 1 1 4   -26 12 o 47.59948 3.945079  514.8658       78.62620 519.0023       
107.7339 510.1517       115.0110 47.94810 5.351825 47.25085 5.797633 0.6972466 
7.890157 
1 1 1 4   -26 13 o 18.75348 5.499525  52.46710       71.38535 31.40781       
106.5385 69.62498       96.16489 18.12037 7.782803 19.38659 7.772198 -1.266218 
10.99905 
1 1 1 4   -26 14 o 26.56251 5.822944  192.7379       71.59780 184.5475       
109.2316 198.9075       94.80354 25.85147 8.599852 27.27354 7.852977 -1.422077 
11.64589 
1 1 1 4   -26 15 o 20.76269 5.351248  69.03241       56.06165 213.0985       
113.6176 22.66908       64.45432 27.02484 8.770343 14.50055 6.133882 12.52429 
10.70250 
1 1 1 4   -25 0  o 59.35094 3.293871  747.8458       80.84869 743.7833       
105.5072 753.6244       125.8346 59.21826 4.243727 59.48362 5.038762 
-0.2653580     6.587742 
1 1 1 4   -25 1  o 59.58854 3.983519  760.1854       99.64425 748.5721       
141.1966 771.7077       140.6415 59.12383 5.688304 60.05325 5.578250 
-0.9294167     7.967037 
1 1 1 4   -25 2  o 45.91333 6.649781  455.7544       128.1814 0.000000       
0.000000 455.7544       128.1814 ?        ?        45.91333 6.649781 ? ? 
1 1 1 4   -25 3  o 37.17534 5.803340  297.3846       90.57574 297.3846       
90.57574 0.000000       0.000000 37.17534 5.803340 ?        ?        ? ? 
1 1 1 4   -25 4  o 57.56425 3.548877  676.8865       82.16014 602.4726       
100.4508 827.2770       142.8028 53.12510 4.503754 62.00341 5.485828 -8.878311 
7.097754 
1 1 1 4   -25 5  o 32.47388 5.247122  245.2226       69.27026 268.1853       
86.49027 204.1432       115.6827 35.17865 5.856109 29.76912 8.708338 5.409527 
10.49424 
1 1 1 4   -25 6  o 40.46153 4.310125  295.8651       64.58097 218.5238       
74.08949 540.5032       131.7689 31.23215 5.866355 49.69092 6.316215 -18.45877 
8.620250 
1 1 1 4   -25 7  o 35.58429 5.255672  290.2269       75.28693 276.2342       
98.85968 309.5472       116.1652 34.70823 7.029731 36.46035 7.814808 -1.752125 
10.51134 
1 1 1 4   -25 8  o 15.60200 4.850428  -73.54423      70.67647 54.35703       
96.52333 -221.3805      103.7732 19.55965 7.808463 11.64435 5.756258 7.915300 
9.700855 
1 1 1 4   -25 9  o 88.76241 3.648436  1730.182       132.2656 1758.389       
169.6227 1686.426       211.2621 90.12295 4.483008 87.40188 5.757340 2.721069 
7.296872 
1 1 1 4   -25 10 o 25.20891 5.485149  147.6694       67.30117 83.99415       
96.97508 206.8345       93.47770 21.00450 7.972275 29.41332 7.535931 -8.408813 
10.97030 
1 1 1 4   -25 11 o 91.55965 3.591682  1843.257       136.5131 1809.598       
179.5367 1889.388       210.1826 90.88622 4.705179 92.23307 5.427892 -1.346855 
7.183364 
1 1 1 4   -25 12 o 28.14678 5.348584  188.1070       69.61028 294.2639       
101.6018 94.19408       95.56308 35.03410 7.155096 21.25947 7.951981 13.77463 
10.69717 
1 1 1 4   -25 13 o 65.15437 3.425849  926.5510       92.20609 1034.578       
146.7284 856.0497       118.5352 68.01440 5.138475 62.29434 4.532311 5.720066 
6.851698 
1 1 1 4   -25 14 o 20.84420 5.663435  92.07456       69.37228 90.82268       
104.5513 93.05923       92.72444 20.97731 8.199281 20.71110 7.814717 0.2662182 
11.32687 
1 1 1 4   -25 15 o 18.74722 4.970627  74.64658       57.73343 -32.13677      
110.9783 114.2685       67.60113 15.97272 7.308256 21.52172 6.739284 -5.549003 
9.941255 
1 1 1 4   -25 16 o 20.73759 4.499552  67.97032       64.13280 -157.6202      
100.0717 225.1991       83.54427 11.86950 5.834215 29.60567 6.851702 -17.73617 
8.999104 
1 1 1 4   -24 0  o 181.0745 5.493723  6879.394       354.1947 6711.590       
403.2491 7445.966       740.9712 177.6266 5.407374 184.5224 9.564741 -6.895767 
10.98745 
1 1 1 4   -24 1  f 82.73241 4.656061  1452.360       161.7236 0.000000       
0.000000 1452.360       161.7236 ?        ?        82.73241 4.656061 ? ? 
1 1 1 4   -24 2  o 89.15623 3.316877  1678.583       124.1538 1678.583       
124.1538 0.000000       0.000000 89.15623 3.316877 ?        ?        ? ? 
1 1 1 4   -24 3  o 84.70862 3.517008  1487.690       118.3090 1408.883       
143.7731 1652.975       208.2157 81.50096 4.201805 87.91627 5.641119 -6.415306 
7.034016 
1 1 1 4   -24 4  o 40.89044 4.122768  341.7627       68.98016 283.6641       
86.58294 442.7174       114.1334 36.38255 5.668397 45.39834 5.988166 -9.015793 
8.245536 
1 1 1 4   -24 5  o 24.47111 5.292570  82.01398       58.07674 26.74811       
67.05730 247.8895       116.1739 16.02931 6.463616 32.91291 8.382533 -16.88360 
10.58514 
1 1 1 4   -24 6  o 80.36834 2.477795  1368.051       83.49947 1467.596       
120.0677 1274.818       116.1995 83.21181 3.436863 77.52487 3.570131 5.686935 
4.955589 
1 1 1 4   -24 7  o 66.39954 2.622036  936.5859       73.03611 990.6125       
104.9241 885.8012       101.7274 68.26616 3.660925 64.53293 3.754720 3.733231 
5.244072 
1 1 1 4   -24 8  o 18.81684 4.787056  37.43886       60.49265 132.7969       
78.00827 -106.4027      95.80853 24.24121 7.170244 13.39247 6.344384 10.84873 
9.574112 
1 1 1 4   -24 9  o 25.19118 5.674490  135.2763       70.27381 204.6115       
104.1678 77.36436       95.20084 29.52475 8.143953 20.85761 7.904136 8.667133 
11.34898 
1 1 1 4   -24 10 o 19.23209 5.081889  32.77825       64.00403 138.7850       
92.16242 -65.97526      88.95357 24.65001 7.888968 13.81417 6.408321 10.83584 
10.16378 
1 1 1 4   -24 11 o 42.22416 4.114238  382.1153       71.74549 485.6942       
113.5117 313.2088       92.58385 46.85451 5.770457 37.59381 5.865973 9.260700 
8.228476 
1 1 1 4   -24 12 o 48.32360 3.785853  515.6835       76.72156 483.6642       
107.2097 549.2927       109.8394 46.73693 5.463804 49.91027 5.241906 -3.173340 
7.571706 
1 1 1 4   -24 13 f 54.76167 3.812170  673.9863       86.51143 726.5737       
116.8311 610.1489       128.7229 57.45056 4.843789 52.07277 5.887977 5.377792 
7.624341 
1 1 1 4   -24 14 o 17.54475 5.322010  -15.22985      74.14723 -95.17414      
98.56865 88.97166       112.5336 13.56868 6.431289 21.52083 8.481373 -7.952158 
10.64402 
1 1 1 4   -24 15 o 40.01852 4.324475  378.8442       64.81749 354.3013       
113.9409 390.5866       78.81236 37.99456 7.407266 42.04248 4.465057 -4.047920 
8.648950 
1 1 1 4   -24 16 o 15.80607 4.920899  4.749210       61.39809 -3.614892      
103.6824 9.266248       76.19429 16.54295 7.364678 15.06920 6.528593 1.473752 
9.841799 
1 1 1 4   -24 17 o 30.99876 4.870151  231.8706       66.28294 391.9837       
102.7444 117.7301       86.74900 40.46806 6.047372 21.52945 7.635624 18.93862 
9.740301 
1 1 1 4   -24 18 o 20.70743 5.530835  104.9378       63.41899 124.4513       
108.2478 94.73942       78.25581 21.77931 8.377718 19.63555 7.223184 2.143759 
11.06167 
1 1 1 4   -23 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -23 1  o 86.52038 3.966739  1580.772       144.0891 1580.772       
144.0891 0.000000       0.000000 86.52038 3.966739 ?        ?        ? ? 
1 1 1 4   -23 2  o 62.47201 3.213058  809.4626       79.80758 775.7875       
97.30588 878.6696       139.4953 60.60605 3.824231 64.33796 5.164322 -3.731907 
6.426116 
1 1 1 4   -23 3  o 184.0634 4.529040  7178.679       293.8310 7119.659       
334.2031 7379.648       616.7028 183.3539 4.341515 184.7729 7.949847 -1.418961 
9.058081 
1 1 1 4   -23 4  o 85.33327 2.917334  1468.030       92.20559 1391.054       
106.3139 1701.694       185.2286 81.19798 3.118645 89.46856 4.931268 -8.270576 
5.834668 
1 1 1 4   -23 5  o 93.41837 2.324893  1838.540       91.03686 1927.360       
133.4511 1761.228       124.5051 95.51613 3.327870 91.32062 3.247427 4.195511 
4.649786 
1 1 1 4   -23 6  o 80.28431 2.471359  1367.669       83.04139 1439.273       
115.1190 1289.990       119.9036 82.51153 3.323178 78.05709 3.658818 4.454437 
4.942718 
1 1 1 4   -23 7  o 40.33447 3.473388  347.2150       58.44012 349.8559       
87.87782 345.1209       78.25097 40.43350 5.176772 40.23543 4.632358 0.1980705 
6.946776 
1 1 1 4   -23 8  o 37.54562 3.410557  301.6936       53.73613 290.5772       
75.81566 312.9155       76.17434 36.83876 4.902019 38.25248 4.743186 -1.413715 
6.821115 
1 1 1 4   -23 9  o 16.35260 4.603161  30.88943       47.92097 49.79649       
68.77167 13.04466       66.81179 17.59462 6.703210 15.11058 6.310573 2.484042 
9.206322 
1 1 1 4   -23 10 o 27.91144 5.291464  180.2940       63.24430 173.1886       
93.26257 186.3435       86.05363 27.38853 7.757869 28.43435 7.198182 -1.045811 
10.58293 
1 1 1 4   -23 11 o 35.00133 5.917838  276.5026       83.05185 348.4061       
140.9379 238.2512       102.7960 38.13186 8.947924 31.87080 7.747121 6.261066 
11.83568 
1 1 1 4   -23 12 o 20.11275 5.591839  64.83255       68.84193 68.48259       
91.24474 60.00923       104.8895 19.94692 7.687750 20.27857 8.122386 
-0.3316536     11.18368 
1 1 1 4   -23 13 o 71.39072 3.520950  1101.974       103.2321 1052.451       
131.7095 1180.854       166.2268 69.60040 4.507405 73.18102 5.410328 -3.580620 
7.041900 
1 1 1 4   -23 14 o 56.22544 3.848490  709.6730       89.37008 757.4278       
119.1725 648.3033       135.0967 58.73734 4.832624 53.71354 5.990763 5.023792 
7.696980 
1 1 1 4   -23 15 o 27.32310 6.028834  187.7157       77.55291 211.6223       
103.8344 157.5539       116.6302 29.12963 8.164819 25.51658 8.872604 3.613045 
12.05767 
1 1 1 4   -23 16 o 35.13634 4.652830  273.4115       61.25164 338.7399       
116.4317 248.4133       72.02354 36.97115 7.749686 33.30153 5.151472 3.669617 
9.305659 
1 1 1 4   -23 17 o 16.66677 5.067697  17.99842       64.21188 36.53001       
91.80814 0.2519189      89.84239 17.53981 7.365174 15.79372 6.962788 1.746089 
10.13539 
1 1 1 4   -23 18 o 18.84386 5.446474  52.53445       76.64056 -107.6144      
141.2044 119.4157       91.25117 15.86132 7.580900 21.82640 7.822164 -5.965085 
10.89295 
1 1 1 4   -23 19 o 33.01398 6.772721  356.8639       106.2854 245.1530       
176.6017 420.3054       133.0865 27.09052 10.64119 38.93744 8.381173 -11.84692 
13.54544 
1 1 1 4   -22 0  o 53.65763 3.915187  606.9888       88.19885 606.9888       
88.19885 0.000000       0.000000 53.65763 3.915187 ?        ?        ? ? 
1 1 1 4   -22 1  o 73.81824 3.123539  1190.126       91.19570 1285.852       
114.2816 1022.297       151.3197 78.12598 3.484190 69.51048 5.185210 8.615501 
6.247078 
1 1 1 4   -22 2  o 146.8573 3.522016  4371.623       186.8419 4198.918       
213.2035 4943.330       387.9078 141.1418 3.597989 152.5729 6.055811 -11.43109 
7.044031 
1 1 1 4   -22 3  o 52.44946 2.832517  562.7316       61.25716 442.7515       
79.56124 737.4006       95.99635 45.78671 4.138884 59.11222 3.868107 -13.32551 
5.665034 
1 1 1 4   -22 4  o 22.64954 4.680764  111.0241       49.00381 146.5964       
67.85619 72.25008       70.84404 25.71441 6.321508 19.58467 6.904834 6.129738 
9.361527 
1 1 1 4   -22 5  o 116.6946 2.872075  2824.578       137.0958 3121.291       
224.8457 2648.989       172.9681 121.4001 4.411505 111.9892 3.678842 9.410904 
5.744149 
1 1 1 4   -22 6  o 70.44481 3.054558  1092.798       85.87552 897.5688       
137.5238 1217.579       109.9458 64.96357 5.042305 75.92606 3.449123 -10.96249 
6.109115 
1 1 1 4   -22 7  o 131.0690 2.888158  3648.916       158.3543 4008.330       
224.1669 3290.910       223.7274 137.5866 3.880757 124.5515 4.278498 13.03505 
5.776316 
1 1 1 4   -22 8  o 37.33561 3.368630  294.8367       52.61371 267.3917       
71.10802 328.0396       78.21235 35.42731 4.780810 39.24391 4.747054 -3.816597 
6.737259 
1 1 1 4   -22 9  o 52.06354 2.977226  591.6993       63.31430 681.2255       
85.01743 480.2191       94.87059 56.69754 3.571616 47.42953 4.764352 9.268009 
5.954452 
1 1 1 4   -22 10 o 23.84367 4.878512  128.6117       52.77304 156.4406       
70.75849 93.72813       79.22114 26.31456 6.446801 21.37278 7.323816 4.941774 
9.757025 
1 1 1 4   -22 11 o 54.50310 3.314510  638.6430       71.71013 640.7695       
88.26727 634.5145       122.9867 54.83615 3.834015 54.17004 5.407794 0.6661072 
6.629019 
1 1 1 4   -22 12 o 78.87202 3.528324  1299.564       108.6217 1226.207       
129.8581 1470.465       198.2072 75.67017 4.087573 82.07388 5.752220 -6.403717 
7.056648 
1 1 1 4   -22 13 o 56.63662 3.638018  689.7233       85.96548 608.9572       
114.5344 793.9236       130.0937 52.88105 5.158896 60.39218 5.130936 -7.511124 
7.276037 
1 1 1 4   -22 14 o 20.33709 5.541661  67.21613       67.90026 107.2635       
100.1417 33.13728       92.37840 22.62061 8.185634 18.05356 7.472311 4.567051 
11.08332 
1 1 1 4   -22 15 o 34.36959 5.125272  279.6987       74.00769 403.8737       
107.0276 165.9232       102.4479 42.45969 6.003992 26.27949 8.308172 16.18019 
10.25054 
1 1 1 4   -22 16 o 26.16190 6.222177  108.4254       68.68494 305.7553       
158.3451 62.69201       76.22980 33.88080 10.25588 18.44300 7.048318 15.43780 
12.44435 
1 1 1 4   -22 17 o 27.40172 6.003999  182.7861       72.16654 212.9381       
129.7445 169.2787       86.83938 28.59929 9.372626 26.20415 7.506391 2.395142 
12.00800 
1 1 1 4   -22 18 o 30.55253 6.258877  218.9079       76.50038 325.8116       
152.4812 182.9482       88.43571 34.13981 10.00144 26.96524 7.527638 7.174568 
12.51775 
1 1 1 4   -22 19 o 19.43613 8.922003  -15.31443      166.9094 -15.31443      
166.9094 0.000000       0.000000 19.43613 8.922003 ?        ?        ? ? 
1 1 1 4   -22 20 o 16.69417 7.926836  -77.28088      150.3379 0.000000       
0.000000 -77.28088      150.3379 ?        ?        16.69417 7.926836 ? ? 
1 1 1 4   -21 0  o 120.4724 3.715419  3048.595       180.2152 2997.343       
224.1375 3142.319       303.0984 119.1714 4.479850 121.7735 5.928599 -2.602066 
7.430837 
1 1 1 4   -21 1  o 81.07582 3.171535  1392.032       87.09785 1395.328       
97.74948 1379.332       191.8702 81.43951 2.858910 80.71214 5.662258 0.7273636 
6.343070 
1 1 1 4   -21 2  o 79.98669 2.357037  1300.347       77.71823 1622.810       
124.9917 1097.096       99.23340 87.78610 3.391380 72.18727 3.274299 15.59883 
4.714074 
1 1 1 4   -21 3  o 26.03959 4.310110  150.7630       49.87527 221.5585       
68.68552 71.79702       72.54083 32.37006 5.054087 19.70911 6.983151 12.66096 
8.620220 
1 1 1 4   -21 4  o 149.9803 2.944667  4768.937       184.5415 5097.253       
255.1905 4409.033       267.1846 155.4634 3.909826 144.4972 4.404261 10.96620 
5.889334 
1 1 1 4   -21 5  o 69.82433 2.498444  1031.196       72.86700 1066.252       
99.21281 990.1391       107.3687 71.13435 3.322075 68.51430 3.732654 2.620049 
4.996888 
1 1 1 4   -21 6  o 36.30806 3.766719  284.2667       54.59234 370.8479       
79.79156 208.0672       74.85511 41.86033 4.540205 30.75578 6.011591 11.10454 
7.533438 
1 1 1 4   -21 7  o 100.9029 2.456972  2144.504       101.3014 2129.095       
128.9947 2169.298       163.6279 100.4940 3.057403 101.3119 3.846964 
-0.8178329     4.913944 
1 1 1 4   -21 8  o 119.0533 3.253599  3026.790       133.6526 3040.958       
151.1476 2975.998       286.1886 120.0748 2.998266 118.0319 5.775294 2.042961 
6.507197 
1 1 1 4   -21 9  o 45.34772 3.378597  471.2021       59.17663 622.1847       
79.58080 284.4558       88.50564 54.24526 3.494359 36.45018 5.783522 17.79508 
6.757194 
1 1 1 4   -21 10 o 60.20651 2.823702  772.2498       70.19546 787.0288       
91.85670 751.5042       108.8305 60.96392 3.588881 59.44911 4.360401 1.514812 
5.647403 
1 1 1 4   -21 11 o 49.80256 3.308905  529.3096       68.96114 524.6250       
93.65368 534.8580       101.9216 49.59449 4.497928 50.01064 4.854282 
-0.4161491     6.617810 
1 1 1 4   -21 12 o 61.19151 2.958554  799.3375       74.90482 801.0375       
98.05992 796.9560       116.0644 61.35528 3.806805 61.02773 4.529945 0.3275490 
5.917108 
1 1 1 4   -21 13 o 13.74292 4.514691  -69.22504      62.26982 -71.77563      
93.97953 -67.22892      83.13916 14.20750 6.589281 13.27833 6.173420 0.9291649 
9.029382 
1 1 1 4   -21 14 o 78.04285 3.873756  1351.528       122.3400 1233.104       
195.9589 1427.168       156.6106 74.74956 6.244208 81.33613 4.586262 -6.586571 
7.747511 
1 1 1 4   -21 15 o 18.74740 5.804728  -1.214692      85.94896 -17.64408      
137.4790 9.326867       110.1230 19.20335 8.520390 18.29145 7.885583 0.9118919 
11.60946 
1 1 1 4   -21 16 o 65.19949 4.642856  1033.574       94.54288 839.3489       
214.2673 1080.530       105.3532 59.44165 8.585903 70.95734 3.536481 -11.51568 
9.285711 
1 1 1 4   -21 17 o 35.42713 5.255209  318.2740       73.72532 230.4668       
123.0218 367.4823       92.09512 30.21150 9.018775 40.64275 5.397275 -10.43125 
10.51042 
1 1 1 4   -21 18 o 28.25398 6.428608  203.6124       92.26720 113.4136       
135.9867 280.5612       125.6022 23.51037 9.305005 32.99759 8.872705 -9.487211 
12.85722 
1 1 1 4   -21 19 o 49.13169 9.525959  639.2781       189.4809 639.2781       
189.4809 0.000000       0.000000 49.13169 9.525959 ?        ?        ? ? 
1 1 1 4   -21 20 o 33.10491 6.981062  273.1374       93.99883 0.000000       
0.000000 273.1374       93.99883 ?        ?        33.10491 6.981062 ? ? 
1 1 1 4   -21 21 o 19.39293 5.732621  72.12463       78.34875 -50.50923      
167.8882 106.2680       88.58667 18.12719 8.521645 20.65868 7.670289 -2.531496 
11.46524 
1 1 1 4   -20 0  o 226.3276 3.285609  10990.99       300.2418 11511.94       
381.2803 10140.70       487.1133 233.7000 3.886035 218.9552 5.299022 14.74475 
6.571218 
1 1 1 4   -20 1  o 62.23732 2.551132  871.5951       62.21123 1054.607       
80.95844 607.7009       97.21586 70.80728 2.723361 53.66736 4.314674 17.13992 
5.102265 
1 1 1 4   -20 2  o 37.19152 3.341445  292.5408       51.37720 294.5720       
67.18903 289.6809       79.72552 37.36724 4.282806 37.01580 5.130164 0.3514404 
6.682889 
1 1 1 4   -20 3  o 180.9890 3.673866  6908.246       278.7972 7336.364       
406.4905 6527.970       383.1054 186.2694 5.197924 175.7086 5.193336 10.56084 
7.347731 
1 1 1 4   -20 4  o 153.8540 3.029788  5019.034       192.1906 5135.010       
250.9040 4854.368       298.9670 156.0926 3.828656 151.6154 4.696791 4.477234 
6.059575 
1 1 1 4   -20 5  o 98.81041 2.264417  2055.559       93.92500 2097.372       
133.0114 2013.973       132.6494 99.81521 3.174045 97.80561 3.230446 2.009598 
4.528835 
1 1 1 4   -20 6  o 248.6805 3.894295  13106.59       406.4319 13414.58       
572.1184 12792.79       577.4821 251.6690 5.414735 245.6920 5.598460 5.977020 
7.788589 
1 1 1 4   -20 7  o 99.91095 2.789655  2169.196       102.4658 2241.415       
120.1020 1976.026       196.4246 103.1941 2.772148 96.62778 4.841890 6.566330 
5.579310 
1 1 1 4   -20 8  o 108.8896 2.672598  2478.078       119.0731 2394.582       
151.0747 2615.014       193.4721 106.5565 3.377013 111.2227 4.143295 -4.666191 
5.345195 
1 1 1 4   -20 9  o 21.65360 5.191573  92.14099       56.32130 73.82769       
75.75239 114.7769       84.21945 19.96093 7.129638 23.34627 7.548376 -3.385338 
10.38315 
1 1 1 4   -20 10 o 166.7108 4.268050  5984.001       261.6260 6020.604       
304.7258 5881.363       510.2807 168.4928 4.307736 164.9289 7.369423 3.563889 
8.536099 
1 1 1 4   -20 11 f 151.5639 4.141860  4903.953       247.4037 4861.485       
301.4330 4991.612       433.0728 151.1110 4.751338 152.0168 6.785631 
-0.9058685     8.283719 
1 1 1 4   -20 12 o 30.01205 4.684376  211.8254       58.11229 261.7625       
75.15533 137.5768       91.64143 34.97761 5.117887 25.04648 7.847339 9.931129 
9.368752 
1 1 1 4   -20 13 o 102.6350 3.963618  2284.199       169.4431 2156.624       
251.4629 2390.299       229.3220 99.79440 6.001900 105.4755 5.178635 -5.681107 
7.927236 
1 1 1 4   -20 14 o 63.16101 4.181651  866.6322       110.1737 741.8453       
152.2102 1003.961       159.6760 58.27362 6.221469 68.04840 5.589110 -9.774784 
8.363302 
1 1 1 4   -20 15 o 23.14825 6.274301  74.48136       87.27238 168.0770       
137.9830 12.07409       112.6718 27.53238 9.643296 18.76413 8.029586 8.768253 
12.54860 
1 1 1 4   -20 16 o 27.92809 6.140987  180.8031       70.11213 165.5404       
160.2532 184.4161       77.97043 27.65437 10.30673 28.20181 6.679681 
-0.5474415     12.28197 
1 1 1 4   -20 17 o 24.12752 5.689632  138.6536       72.79474 17.42096       
137.5345 185.8326       85.79783 20.26004 8.774304 27.99501 7.245635 -7.734970 
11.37926 
1 1 1 4   -20 18 o 22.75706 6.205190  101.3380       85.53761 58.53687       
129.7253 134.2609       113.7749 21.19181 8.818127 24.32232 8.732592 -3.130503 
12.41038 
1 1 1 4   -20 19 o 39.44060 8.040993  383.6782       128.5335 0.000000       
0.000000 383.6782       128.5335 ?        ?        39.44060 8.040993 ? ? 
1 1 1 4   -20 20 o 26.83045 6.249954  187.0973       78.60146 156.5888       
153.2671 197.9846       91.55841 25.53622 9.938410 28.12468 7.581272 -2.588459 
12.49991 
1 1 1 4   -20 21 o 69.24607 4.578636  1106.242       112.9175 1202.215       
232.1780 1076.509       129.2303 69.00115 8.014671 69.49099 4.429523 
-0.4898376     9.157271 
1 1 1 4   -20 22 o 22.89360 6.275144  137.5701       80.94037 109.7822       
171.0285 145.5900       91.88115 22.48634 9.762158 23.30086 7.887332 
-0.8145199     12.55029 
1 1 1 4   -19 0  o 179.1103 3.361811  6774.238       252.6341 7012.754       
355.9068 6532.010       358.6664 182.3106 4.649920 175.9101 4.856474 6.400513 
6.723622 
1 1 1 4   -19 1  o 106.4209 2.513057  2394.769       111.4073 2756.224       
158.3350 2040.361       156.7840 114.4304 3.295767 98.41142 3.794698 16.01900 
5.026114 
1 1 1 4   -19 2  o 199.4204 3.354935  8416.610       272.8343 8477.865       
347.5590 8318.251       440.4147 200.5116 4.128669 198.3292 5.289276 2.182434 
6.709869 
1 1 1 4   -19 3  o 77.58212 2.306031  1267.086       75.03238 1190.475       
105.2513 1346.255       106.9938 75.19264 3.334058 79.97160 3.186720 -4.778954 
4.612063 
1 1 1 4   -19 4  o 176.6569 3.043998  6605.385       199.0294 6629.323       
232.2792 6539.264       386.0459 177.4732 3.117445 175.8406 5.229267 1.632538 
6.087996 
1 1 1 4   -19 5  o 79.83459 2.336500  1325.767       77.40754 1243.156       
100.8251 1444.366       120.8057 76.85423 3.124798 82.81497 3.474560 -5.960747 
4.673000 
1 1 1 4   -19 6  o 196.8095 3.658454  8187.809       302.2248 8084.398       
422.1763 8296.512       432.8442 195.5438 5.142458 198.0752 5.205022 -2.531372 
7.316907 
1 1 1 4   -19 7  o 212.8611 4.686111  9246.351       325.4571 9029.160       
358.8210 10254.02       772.8888 206.8948 4.130945 218.8274 8.412720 -11.93262 
9.372223 
1 1 1 4   -19 8  o 48.16397 3.115767  486.6028       62.39952 467.3629       
82.04544 513.0018       96.10550 47.05848 4.152768 49.26947 4.646131 -2.210999 
6.231534 
1 1 1 4   -19 9  f 154.4706 3.489485  5031.286       223.3690 4918.484       
291.8018 5190.927       347.1389 152.4894 4.557950 156.4517 5.284988 -3.962357 
6.978969 
1 1 1 4   -19 10 o 29.85777 4.937740  197.4491       60.65043 185.5791       
81.79377 211.9469       90.39510 28.87338 6.843249 30.84215 7.120047 -1.968767 
9.875481 
1 1 1 4   -19 11 o 102.3903 3.664485  2185.531       141.4826 2335.857       
271.0846 2129.253       165.8649 104.4660 6.180892 100.3146 3.938323 4.151321 
7.328970 
1 1 1 4   -19 12 o 120.5727 3.846247  3097.358       194.4369 2953.761       
266.6843 3260.312       284.0911 117.6115 5.400934 123.5340 5.477626 -5.922478 
7.692494 
1 1 1 4   -19 13 o 90.50638 3.215163  1725.815       121.4165 1910.500       
184.6719 1585.196       161.1410 94.69910 4.644896 86.31364 4.446802 8.385460 
6.430327 
1 1 1 4   -19 14 o 21.44107 5.777598  75.45322       71.06441 81.06618       
112.7343 71.75211       91.54316 22.30283 8.557441 20.57932 7.764843 1.723516 
11.55520 
1 1 1 4   -19 15 o 57.05171 3.974097  703.1184       90.94888 709.9464       
153.1247 699.3967       113.0502 57.00873 6.397715 57.09469 4.716250 
-0.8595657E-01 7.948193 
1 1 1 4   -19 16 o 25.06231 5.702397  149.1754       68.27982 49.49641       
141.6259 179.3601       77.93533 22.16958 9.218645 27.95505 6.714603 -5.785475 
11.40479 
1 1 1 4   -19 17 o 17.00156 5.463924  -41.72761      70.74475 2.670630       
148.3496 -54.79636      80.48604 20.65652 9.029850 13.34660 6.154646 7.309922 
10.92785 
1 1 1 4   -19 18 o 78.53043 5.083694  1350.457       167.6086 1350.457       
167.6086 0.000000       0.000000 78.53043 5.083694 ?        ?        ? ? 
1 1 1 4   -19 19 o 36.79370 8.842527  338.0486       135.1011 0.000000       
0.000000 338.0486       135.1011 ?        ?        36.79370 8.842527 ? ? 
1 1 1 4   -19 20 o 52.33504 4.636308  601.4371       87.67677 691.0735       
180.2166 573.6425       100.3538 53.64007 8.002516 51.03000 4.684136 2.610069 
9.272615 
1 1 1 4   -19 21 f 22.37911 6.430768  92.87133       84.51396 101.2583       
175.1171 90.32472       96.49551 23.95996 10.12168 20.79827 7.935401 3.161694 
12.86154 
1 1 1 4   -19 22 o 42.66705 5.839347  523.1656       92.16348 330.1180       
163.8929 612.4445       111.4558 33.38350 10.50135 51.95061 5.110142 -18.56710 
11.67869 
1 1 1 4   -19 23 o 41.36524 5.899286  416.3657       91.37270 609.2899       
174.1944 343.1337       107.3227 46.28651 9.291222 36.44397 7.271829 9.842548 
11.79857 
1 1 1 4   -18 0  o 164.9530 2.372952  5702.145       163.9592 6044.897       
242.0917 5411.716       222.8485 169.5099 3.401778 160.3960 3.309308 9.113892 
4.745904 
1 1 1 4   -18 1  o 163.2666 3.105663  5665.772       209.6171 5929.675       
277.2863 5313.836       320.2126 167.8045 3.935917 158.7288 4.805115 9.075638 
6.211326 
1 1 1 4   -18 2  o 68.33215 2.372089  957.5593       67.10452 1143.312       
106.2008 834.1089       86.57769 73.70370 3.432096 62.96061 3.275353 10.74309 
4.744177 
1 1 1 4   -18 3  o 174.0380 2.683082  6375.743       195.9725 6196.856       
272.7466 6566.658       281.7674 171.5173 3.787672 176.5587 3.801217 -5.041351 
5.366164 
1 1 1 4   -18 4  f 55.23409 2.450274  648.6124       56.26246 725.3799       
77.80111 564.4562       81.45916 58.70778 3.156539 51.76040 3.748551 6.947384 
4.900548 
1 1 1 4   -18 5  o 79.74135 2.475728  1354.515       81.43716 1434.973       
107.6374 1246.801       124.5422 82.57077 3.104974 76.91192 3.856950 5.658852 
4.951457 
1 1 1 4   -18 6  o 105.5991 2.383053  2351.453       105.3389 2396.012       
144.3424 2300.681       154.0772 106.6849 3.222640 104.5133 3.511461 2.171646 
4.766106 
1 1 1 4   -18 7  o 23.62974 4.943462  121.5324       53.43024 146.5069       
71.46621 89.88188       80.45317 25.77531 6.580554 21.48417 7.378860 4.291134 
9.886924 
1 1 1 4   -18 8  o 90.20959 2.631387  1716.789       99.00076 1733.226       
132.9536 1696.334       148.3198 90.71523 3.490930 89.70396 3.938298 1.011269 
5.262773 
1 1 1 4   -18 9  o 112.5963 2.907073  2670.860       137.2378 2740.050       
200.2930 2609.631       188.4180 113.9588 4.186384 111.2338 4.034658 2.724998 
5.814145 
1 1 1 4   -18 10 o 86.51060 3.559412  1591.694       124.7078 1555.513       
204.1422 1613.234       157.5154 85.62405 5.678822 87.39716 4.292861 -1.773117 
7.118825 
1 1 1 4   -18 11 o 71.33424 3.502953  1057.687       102.0055 1166.647       
168.1748 994.2706       128.3009 74.11816 5.404522 68.55033 4.458010 5.567825 
7.005906 
1 1 1 4   -18 12 o 51.33646 4.132753  560.2170       86.93322 571.8841       
139.5719 552.8217       111.1200 51.68403 6.432245 50.98890 5.190841 0.6951332 
8.265507 
1 1 1 4   -18 13 o 45.86319 4.377887  449.5358       82.47177 458.3477       
131.4253 443.8120       105.9229 46.13564 6.785214 45.59074 5.533937 0.5449066 
8.755774 
1 1 1 4   -18 14 o 17.52011 5.385832  -9.474270      72.18745 -9.253007      
115.8195 -9.614826      92.31103 18.52527 8.037847 16.51496 7.170897 2.010307 
10.77166 
1 1 1 4   -18 15 o 70.25899 3.730596  1054.065       107.5593 1080.648       
172.0898 1037.022       137.7887 70.83134 5.786963 69.68665 4.709613 1.144691 
7.461193 
1 1 1 4   -18 16 o 65.43782 3.826910  984.1752       97.40018 720.5316       
156.9405 1149.337       124.2171 57.44453 6.507399 73.43111 4.029232 -15.98658 
7.653819 
1 1 1 4   -18 17 o 63.95299 3.846675  875.2366       91.60716 915.8898       
177.6299 860.5064       106.9231 64.46864 6.562792 63.43734 4.014649 1.031300 
7.693350 
1 1 1 4   -18 18 o 73.37363 5.584420  1178.846       172.0272 1178.846       
172.0272 0.000000       0.000000 73.37363 5.584420 ?        ?        ? ? 
1 1 1 4   -18 19 o 55.23713 4.684321  663.5000       108.6317 0.000000       
0.000000 663.5000       108.6317 ?        ?        55.23713 4.684321 ? ? 
1 1 1 4   -18 20 o 24.92291 6.010360  20.74664       78.70305 347.8645       
163.5137 -77.88873      89.78802 36.47356 10.25333 13.37227 6.274307 23.10129 
12.02072 
1 1 1 4   -18 21 o 31.41154 5.907184  277.0702       90.26424 76.48796       
168.7288 357.4899       106.8376 23.34064 9.901401 39.48244 6.445272 -16.14180 
11.81437 
1 1 1 4   -18 22 o 70.05902 4.042943  1075.390       108.2615 1223.359       
204.1221 1017.474       127.7026 72.23401 6.730841 67.88403 4.480776 4.349976 
8.085887 
1 1 1 4   -18 23 f 31.79101 6.577339  281.9896       87.71703 262.3955       
181.1013 287.9953       100.2627 29.65565 10.97573 33.92637 7.251123 -4.270723 
13.15468 
1 1 1 4   -18 24 o 22.85686 6.418657  134.8812       86.81739 100.0024       
182.2883 145.1136       98.73442 22.48261 9.913971 23.23111 8.155355 
-0.7484989     12.83731 
1 1 1 4   -17 0  o 185.4973 3.446676  7262.981       258.4236 7302.646       
324.7576 7194.506       426.6991 186.2783 4.152582 184.7163 5.502215 1.561981 
6.893353 
1 1 1 4   -17 1  o 100.5933 2.531338  2123.409       106.7693 2268.751       
155.1868 1992.776       147.1247 103.8551 3.559165 97.33147 3.600421 6.523598 
5.062676 
1 1 1 4   -17 2  o 65.00576 2.445681  882.1296       65.95627 847.1520       
86.12617 931.7338       102.5651 63.46813 3.232217 66.54339 3.671267 -3.075260 
4.891363 
1 1 1 4   -17 3  o 72.24928 2.274149  1068.152       65.62059 1006.689       
80.13455 1193.261       114.3287 69.19929 2.758286 75.29928 3.616474 -6.099991 
4.548299 
1 1 1 4   -17 4  o 103.6051 2.532652  2268.613       108.6761 2318.152       
143.3232 2201.601       166.6929 104.9663 3.252277 102.2439 3.883297 2.722450 
5.065304 
1 1 1 4   -17 5  o 95.52873 2.728049  1969.566       98.98447 2038.035       
118.3447 1810.125       180.5932 98.43625 2.863617 92.62122 4.644210 5.815033 
5.456097 
1 1 1 4   -17 6  o 120.7911 2.784585  3076.917       141.1278 3008.118       
201.6060 3143.024       197.6233 119.4561 4.019909 122.1261 3.854347 -2.669960 
5.569170 
1 1 1 4   -17 7  o 248.6119 5.775578  13405.90       525.1588 13619.58       
611.4835 12805.28       1025.169 253.5721 5.743868 243.6517 10.02183 9.920349 
11.55116 
1 1 1 4   -17 8  o 111.7431 2.823399  2608.894       129.7266 2520.771       
166.0959 2746.735       207.7327 109.3885 3.616665 114.0977 4.336596 -4.709198 
5.646798 
1 1 1 4   -17 9  o 59.17611 3.578316  710.4788       85.71079 851.4694       
146.2926 636.7862       105.7644 63.43063 5.493442 54.92159 4.586881 8.509037 
7.156632 
1 1 1 4   -17 10 o 86.80985 3.564244  1593.894       127.3469 1589.532       
200.7971 1596.829       164.7089 86.64940 5.519670 86.97031 4.510940 
-0.3209076     7.128488 
1 1 1 4   -17 11 o 139.2918 4.191506  4149.391       225.2700 4033.948       
405.7242 4200.839       270.8558 137.5770 7.024351 141.0066 4.575302 -3.429672 
8.383012 
1 1 1 4   -17 12 o 59.73183 3.964549  763.1517       97.08137 731.2888       
153.1155 784.5717       125.5416 58.60149 6.223455 60.86218 4.913165 -2.260685 
7.929097 
1 1 1 4   -17 13 o 184.6499 5.438832  7492.335       387.3647 6964.219       
687.8307 7737.629       468.7704 178.7822 9.163858 190.5176 5.860655 -11.73543 
10.87766 
1 1 1 4   -17 14 o 26.30084 5.342853  144.1808       80.11330 -83.68113      
133.0498 273.7836       100.3426 17.54362 8.016605 35.05805 7.065292 -17.51443 
10.68571 
1 1 1 4   -17 15 o 42.42506 4.680142  365.1906       80.11928 475.4152       
138.7949 310.1072       98.11712 46.86330 7.054425 37.98681 6.152236 8.876495 
9.360285 
1 1 1 4   -17 16 o 145.9330 4.644008  4721.922       260.6362 4329.783       
462.9260 4903.917       315.3707 140.4114 7.852902 151.4545 4.959756 -11.04308 
9.288016 
1 1 1 4   -17 17 o 24.53678 6.313227  109.7126       78.50549 147.1064       
144.8803 94.16943       93.40711 27.05776 9.840392 22.01579 7.911638 5.041969 
12.62645 
1 1 1 4   -17 18 o 25.55066 9.931556  114.8988       152.9564 114.8988       
152.9564 0.000000       0.000000 25.55066 9.931556 ?        ?        ? ? 
1 1 1 4   -17 19 o 104.3152 4.239502  2339.895       185.6699 0.000000       
0.000000 2339.895       185.6699 ?        ?        104.3152 4.239502 ? ? 
1 1 1 4   -17 20 o 62.66730 4.355633  894.5859       101.8942 826.4382       
189.4386 922.3275       120.8673 60.06700 7.511968 65.26762 4.410950 -5.200619 
8.711266 
1 1 1 4   -17 21 o 41.55523 5.554251  367.7231       85.11647 517.3544       
169.6572 317.3928       98.39558 45.59412 9.185475 37.51634 6.247067 8.077778 
11.10850 
1 1 1 4   -17 22 o 41.23888 6.082898  432.7932       93.25213 392.6739       
176.6577 448.2906       109.7955 37.93549 10.65526 44.54227 5.871284 -6.606781 
12.16580 
1 1 1 4   -17 23 o 64.59036 4.594280  966.0044       115.9209 982.5441       
204.1968 958.1394       140.8104 63.80226 7.623141 65.37846 5.130043 -1.576195 
9.188560 
1 1 1 4   -17 24 o 22.65425 6.178278  114.0385       92.54756 -44.72144      
167.5383 183.7567       111.0240 18.99159 8.804172 26.31691 8.670124 -7.325317 
12.35656 
1 1 1 4   -17 25 o 20.44823 6.298215  22.53144       92.71444 201.8628       
176.1143 -46.22444      109.0490 25.75924 10.43861 15.13722 7.050217 10.62202 
12.59643 
1 1 1 4   -16 0  o 221.7850 3.364406  9873.134       223.6454 11051.24       
593.2603 9677.977       241.4597 228.9415 6.172226 214.6284 2.679652 14.31308 
6.728812 
1 1 1 4   -16 1  o 113.5264 2.655673  2699.475       126.3233 2914.573       
185.4792 2513.385       172.5201 117.7277 3.752645 109.3250 3.758730 8.402725 
5.311346 
1 1 1 4   -16 2  o 107.8112 2.071128  2302.861       87.29427 2827.169       
161.5460 2086.624       103.7453 115.9639 3.318139 99.65842 2.479565 16.30547 
4.142256 
1 1 1 4   -16 3  o 143.5782 2.624804  4393.844       150.4083 4530.235       
187.3889 4146.843       252.1743 146.8013 3.040430 140.3552 4.279504 6.446106 
5.249607 
1 1 1 4   -16 4  o 210.8797 4.755203  9539.489       364.3757 9676.435       
422.3915 9141.152       720.3912 214.2957 4.694861 207.4637 8.270798 6.832062 
9.510406 
1 1 1 4   -16 5  o 92.54971 2.761001  1836.366       101.3093 1910.064       
125.6635 1699.528       171.2318 95.29883 3.140817 89.80061 4.541782 5.498222 
5.522003 
1 1 1 4   -16 6  o 124.6703 3.355807  3281.983       172.3937 3296.042       
223.6336 3261.392       270.6400 125.0589 4.259352 124.2817 5.186877 0.7772675 
6.711615 
1 1 1 4   -16 7  o 32.70437 4.051766  228.3272       53.43318 221.1997       
68.97146 239.0266       84.50454 32.35968 5.076756 33.04907 6.316152 
-0.6893921     8.103532 
1 1 1 4   -16 8  o 91.74478 3.398433  1794.271       129.1359 1661.589       
195.0802 1897.759       172.2878 88.64452 5.241822 94.84504 4.326742 -6.200523 
6.796866 
1 1 1 4   -16 9  o 37.42730 4.619421  289.2856       69.61890 363.2565       
114.6844 246.1199       87.60783 41.35127 6.605969 33.50333 6.458898 7.847935 
9.238842 
1 1 1 4   -16 10 o 44.05991 4.305980  415.0514       76.42536 398.8618       
126.0748 424.4566       96.09393 43.31028 6.933592 44.80953 5.107949 -1.499252 
8.611959 
1 1 1 4   -16 11 o 162.6515 5.528758  5653.860       373.9723 5589.676       
567.2805 5703.195       497.3465 161.6427 8.359165 163.6604 7.238301 -2.017700 
11.05752 
1 1 1 4   -16 12 o 121.9252 3.780632  3143.613       192.4705 3115.212       
258.5147 3178.936       288.3042 121.3588 5.073819 122.4916 5.606164 -1.132751 
7.561264 
1 1 1 4   -16 13 o 154.4063 4.974605  5084.979       315.4728 5122.292       
501.4915 5060.542       405.8315 154.6037 7.726179 154.2089 6.268407 0.3947449 
9.949210 
1 1 1 4   -16 14 o 85.07755 3.503246  1513.284       123.0401 1653.740       
195.8198 1421.656       158.1605 88.23099 5.286358 81.92410 4.598407 6.306885 
7.006492 
1 1 1 4   -16 15 o 63.40762 4.142911  859.1264       110.2481 830.6423       
155.5219 887.8999       156.3099 62.33505 5.942651 64.48019 5.774059 -2.145145 
8.285823 
1 1 1 4   -16 16 o 81.96821 3.598590  1447.444       113.9553 1393.990       
204.1215 1471.648       137.3522 80.59874 6.032282 83.33768 3.925683 -2.738937 
7.197181 
1 1 1 4   -16 17 o 68.77549 3.932640  955.0964       101.7392 1154.342       
200.7656 886.2496       118.0147 73.02053 6.548854 64.53045 4.356047 8.490082 
7.865280 
1 1 1 4   -16 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -16 19 o 73.77486 4.098647  1169.958       104.8072 1211.949       
224.7549 1158.290       118.4774 73.86399 7.247653 73.68573 3.829774 0.1782608 
8.197294 
1 1 1 4   -16 20 o 73.10445 4.283469  1241.862       117.2954 1015.318       
209.3383 1345.534       141.6133 67.10638 7.430293 79.10252 4.264174 -11.99614 
8.566938 
1 1 1 4   -16 21 o 71.54321 4.413133  1120.700       123.7354 1202.196       
220.7872 1083.384       149.4022 72.67832 7.235859 70.40809 5.054236 2.270233 
8.826265 
1 1 1 4   -16 22 o 22.85308 6.525067  77.01638       87.89028 140.5270       
167.5672 52.91306       103.2296 26.13979 10.33434 19.56637 7.969147 6.573416 
13.05013 
1 1 1 4   -16 23 o 47.18443 5.728003  611.7535       93.38245 383.2617       
171.0284 708.8052       111.4639 37.62431 10.45702 56.74455 4.678766 -19.12024 
11.45601 
1 1 1 4   -16 24 f 51.22868 5.468798  614.8975       100.4418 695.3287       
197.3520 586.7805       116.6846 51.51631 9.479671 50.94106 5.455901 0.5752563 
10.93760 
1 1 1 4   -16 25 o 20.39146 6.255517  30.69211       86.95819 138.3743       
173.4472 -5.461710      100.5015 24.54838 10.20446 16.23455 7.238436 8.313826 
12.51103 
1 1 1 4   -16 26 o 30.50992 6.555930  290.8499       91.50462 229.9044       
184.8146 310.6418       105.3197 26.69623 10.74474 34.32362 7.514754 -7.627392 
13.11186 
1 1 1 4   -15 0  o 141.6819 2.412264  4187.049       142.5918 4488.963       
216.6468 3956.302       189.3991 146.1489 3.530838 137.2148 3.287744 8.934128 
4.824529 
1 1 1 4   -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -15 2  o 174.9211 3.182980  6513.495       228.7729 6856.698       
299.2093 6030.497       354.9537 180.5784 3.946667 169.2637 4.994924 11.31462 
6.365960 
1 1 1 4   -15 3  o 115.4744 2.617900  2793.300       107.5428 2784.148       
122.8272 2823.360       222.6071 115.1208 2.541335 115.8281 4.577687 
-0.7073441     5.235800 
1 1 1 4   -15 4  o 121.5212 2.614779  3097.389       132.0885 3048.537       
174.3150 3163.267       202.4232 120.4134 3.448109 122.6290 3.931770 -2.215591 
5.229557 
1 1 1 4   -15 5  o 152.1298 3.751025  4958.166       223.9286 5112.107       
274.3376 4650.833       387.6240 155.8468 4.192841 148.4129 6.221000 7.433960 
7.502050 
1 1 1 4   -15 6  o 41.68883 3.160563  331.0455       52.40165 226.9587       
64.22743 538.2737       90.62484 32.81949 4.661330 50.55817 4.269500 -17.73868 
6.321125 
1 1 1 4   -15 7  o 86.78791 3.293738  1616.605       116.2010 1462.837       
184.3232 1718.025       149.6945 83.24854 5.273811 90.32728 3.947372 -7.078735 
6.587475 
1 1 1 4   -15 8  o 153.9496 4.281944  5061.176       259.8201 4884.613       
449.2062 5149.939       318.5027 151.6869 7.053728 156.2123 4.856450 -4.525421 
8.563888 
1 1 1 4   -15 9  o 144.0164 4.721394  4414.811       283.1057 4309.123       
425.8483 4498.516       378.9814 142.3554 7.125280 145.6775 6.196502 -3.322021 
9.442788 
1 1 1 4   -15 10 o 214.2960 6.883261  9819.029       594.7571 10146.68       
996.1481 9637.524       741.4087 216.3241 10.96832 212.2680 8.319444 4.056137 
13.76652 
1 1 1 4   -15 11 o 96.34265 3.629498  1948.866       145.5233 2060.971       
223.4045 1866.240       191.7950 98.69740 5.391471 93.98789 4.860561 4.709511 
7.258996 
1 1 1 4   -15 12 f 117.8625 4.259912  2955.458       205.7392 2894.163       
326.9342 2995.647       264.7309 116.7171 6.671860 119.0079 5.298462 -2.290817 
8.519825 
1 1 1 4   -15 13 o 30.18317 5.908867  189.1969       78.50814 277.2921       
122.8217 128.3362       102.0863 35.29523 8.398766 25.07110 8.313820 10.22413 
11.81773 
1 1 1 4   -15 14 o 134.6836 4.912801  3857.467       276.5562 3988.405       
413.7734 3751.745       371.8033 136.6605 7.211748 132.7066 6.673316 3.953873 
9.825603 
1 1 1 4   -15 15 o 60.24752 4.025874  755.9501       100.4101 869.7209       
158.9989 680.4781       129.5005 63.90565 5.926195 56.58939 5.450766 7.316265 
8.051747 
1 1 1 4   -15 16 o 87.62367 3.514009  1552.782       116.4098 1816.055       
226.5455 1458.328       135.6945 92.21589 5.851549 83.03146 3.892609 9.184433 
7.028017 
1 1 1 4   -15 17 o 58.92830 4.209558  738.6188       94.56388 758.4338       
176.0676 730.5855       112.1055 59.22533 7.080973 58.63128 4.554269 0.5940514 
8.419117 
1 1 1 4   -15 18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -15 19 o 29.82538 5.875189  226.3616       77.86261 84.23946       
155.5560 273.8733       89.94064 24.64895 9.883744 35.00182 6.354761 -10.35286 
11.75038 
1 1 1 4   -15 20 o 46.84690 5.280520  512.2687       87.32452 459.1265       
167.6006 532.0708       102.3087 44.00218 9.353415 49.69162 4.903998 -5.689445 
10.56104 
1 1 1 4   -15 21 o 19.49878 5.771740  12.19464       76.39648 92.66198       
132.2254 -28.12790      93.60065 23.40341 9.202973 15.59416 6.968303 7.809253 
11.54348 
1 1 1 4   -15 22 o 63.85898 4.452228  908.2023       105.4708 915.0116       
202.7499 905.6761       123.4958 63.10582 7.652659 64.61213 4.552598 -1.506306 
8.904456 
1 1 1 4   -15 23 o 107.2092 3.966592  2542.296       176.4599 2662.373       
273.3099 2456.461       231.0768 108.9571 5.974766 105.4613 5.218964 3.495796 
7.933184 
1 1 1 4   -15 24 o 49.29180 5.736305  618.6242       95.48026 527.2816       
190.5509 649.2466       110.3303 44.38164 10.39777 54.20197 4.848425 -9.820332 
11.47261 
1 1 1 4   -15 25 o 25.66117 6.793912  154.2938       89.94291 184.3394       
179.1261 144.1647       104.0046 27.09746 10.69373 24.22487 8.382907 2.872589 
13.58782 
1 1 1 4   -15 26 o 32.17181 6.597296  292.6725       91.56557 274.3934       
169.1932 300.2437       108.8899 30.17767 10.66755 34.16594 7.765355 -3.988270 
13.19459 
1 1 1 4   -15 27 o 34.12778 6.511584  366.3285       95.96849 285.8762       
180.1301 398.2158       113.4033 28.92425 10.89799 39.33131 7.129992 -10.40706 
13.02317 
1 1 1 4   -14 0  o 401.9841 6.940526  34222.59       1072.772 34295.24       
1282.784 34053.59       1956.553 403.2983 7.576146 400.6700 11.63123 2.628296 
13.88105 
1 1 1 4   -14 1  o 471.7865 5.582706  47681.59       1043.877 49253.95       
1291.895 44723.98       1771.820 483.5856 6.363189 459.9874 9.174763 23.59821 
11.16541 
1 1 1 4   -14 2  o 461.8350 17.01627  45918.29       3299.364 0.000000       
0.000000 45918.29       3299.364 ?        ?        461.8350 17.01627 ? ? 
1 1 1 4   -14 3  o 292.0251 6.586736  17976.12       807.5499 17976.12       
807.5499 0.000000       0.000000 292.0251 6.586736 ?        ?        ? ? 
1 1 1 4   -14 4  o 157.4195 3.321270  5286.806       200.4909 5397.439       
240.3699 5033.858       363.4560 160.2414 3.572947 154.5976 5.599768 5.643738 
6.642541 
1 1 1 4   -14 5  o 61.78925 2.777395  738.3422       67.05363 640.6064       
79.29494 983.6332       125.6202 55.20366 3.421359 68.37482 4.376072 -13.17116 
5.554791 
1 1 1 4   -14 6  o 63.27608 3.435349  820.7103       87.64060 922.3460       
149.6244 767.6286       108.1314 66.15541 5.387139 60.39676 4.264412 5.758652 
6.870697 
1 1 1 4   -14 7  o 165.1391 4.836227  5748.207       317.9120 5825.423       
545.7514 5708.548       391.1245 165.7862 7.840931 164.4921 5.663582 1.294113 
9.672454 
1 1 1 4   -14 8  f 97.71842 3.609147  1963.046       142.8378 2203.929       
241.1452 1832.850       177.2853 102.1701 5.621808 93.26678 4.527587 8.903275 
7.218294 
1 1 1 4   -14 9  o 31.22031 5.083525  225.6881       66.23601 142.1691       
107.4152 276.9292       84.13604 26.23717 8.528050 36.20344 5.535454 -9.966270 
10.16705 
1 1 1 4   -14 10 o 170.8435 4.527681  6087.213       288.2310 6409.518       
561.2173 5971.744       335.9177 173.4855 7.705289 168.2015 4.756901 5.284042 
9.055363 
1 1 1 4   -14 11 o 148.7209 4.537307  4694.287       283.2950 4705.241       
402.1948 4683.500       399.1025 148.8886 6.434222 148.5531 6.399171 0.3354950 
9.074614 
1 1 1 4   -14 12 o 69.79010 3.519411  1019.709       102.2182 1100.109       
157.3719 961.0351       134.4386 72.12608 5.197038 67.45412 4.747191 4.671959 
7.038823 
1 1 1 4   -14 13 o 93.47449 3.832398  1848.451       150.3824 1863.567       
214.5410 1833.852       210.8526 93.84666 5.445184 93.10231 5.394356 0.7443542 
7.664796 
1 1 1 4   -14 14 o 88.84222 3.698511  1652.000       137.0399 1823.443       
209.0054 1522.712       181.4998 92.82517 5.363061 84.85928 5.094458 7.965889 
7.397021 
1 1 1 4   -14 15 o 66.79121 4.084381  957.0293       113.0594 798.2407       
162.1767 1107.168       157.6977 61.27292 6.304357 72.30949 5.194587 -11.03656 
8.168761 
1 1 1 4   -14 16 o 97.32359 3.449195  2041.217       120.3667 1941.462       
242.1154 2073.966       138.7245 95.47097 6.040489 99.17620 3.331707 -3.705231 
6.898389 
1 1 1 4   -14 17 o 102.9101 4.478135  2239.860       176.0251 2335.412       
327.9385 2201.188       208.6265 104.0230 7.509035 101.7973 4.881512 2.225716 
8.956269 
1 1 1 4   -14 18 o 54.52009 6.860457  641.4058       157.0322 0.000000       
0.000000 641.4058       157.0322 ?        ?        54.52009 6.860457 ? ? 
1 1 1 4   -14 19 f 23.47911 6.133280  103.2692       79.91178 -2.905389      
157.5200 140.0648       92.73064 21.69432 9.392760 25.26390 7.889523 -3.569578 
12.26656 
1 1 1 4   -14 20 o 55.02715 4.373788  610.3245       87.61449 755.4434       
182.6617 566.9606       99.85042 58.57041 7.428314 51.48388 4.619550 7.086529 
8.747577 
1 1 1 4   -14 21 o 20.55988 5.820389  57.17595       76.52179 -33.79408      
143.4319 93.37070       90.47308 19.41475 8.652101 21.70502 7.787738 -2.290264 
11.64078 
1 1 1 4   -14 22 o 44.29057 5.344535  477.5956       85.58485 383.1660       
155.4324 518.6824       102.5271 39.69298 9.450068 48.88815 4.995240 -9.195168 
10.68907 
1 1 1 4   -14 23 o 45.74728 5.411950  470.6786       91.64285 527.0021       
172.8846 448.6677       108.0762 46.45041 9.192180 45.04417 5.714949 1.406239 
10.82390 
1 1 1 4   -14 24 o 96.81164 4.423335  2167.186       165.8769 1963.653       
287.8499 2268.379       202.9658 91.87766 7.462377 101.7456 4.751473 -9.867950 
8.846669 
1 1 1 4   -14 25 o 24.67287 6.383888  143.9529       89.69189 52.81435       
158.5275 186.8629       108.7761 22.05078 9.483093 27.29496 8.549095 -5.244181 
12.76778 
1 1 1 4   -14 26 o 32.11133 6.770512  278.1465       94.85671 280.2912       
168.9700 277.1595       114.6226 31.38190 10.69601 32.84077 8.303898 -1.458870 
13.54102 
1 1 1 4   -14 27 o 70.84608 4.363637  1165.331       124.0807 1264.702       
210.8622 1112.696       153.4631 72.00787 6.974930 69.68430 5.245539 2.323570 
8.727275 
1 1 1 4   -14 28 o 51.29347 5.887221  675.6030       102.4351 779.1002       
214.3643 644.9766       116.6104 50.16936 10.51474 52.41757 5.298846 -2.248207 
11.77444 
1 1 1 4   -13 0  o 216.3525 3.707125  9891.030       332.5070 10163.75       
440.3609 9529.310       507.1529 219.8727 4.770441 212.8323 5.675738 7.040344 
7.414250 
1 1 1 4   -13 1  o 386.6870 4.654891  31320.96       705.9285 31938.08       
1250.462 31032.27       855.2462 389.2636 7.651521 384.1104 5.303421 5.153168 
9.309782 
1 1 1 4   -13 2  o 224.2092 3.310222  10570.05       311.5751 10434.74       
440.6242 10705.37       440.6432 222.7717 4.711178 225.6467 4.651352 -2.874985 
6.620444 
1 1 1 4   -13 3  o 162.5429 3.882047  5490.317       232.3366 5417.332       
269.2100 5703.351       459.9351 160.5437 3.994101 164.5421 6.657951 -3.998444 
7.764094 
1 1 1 4   -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -13 5  o 330.0515 7.960899  23177.79       1030.614 23054.29       
1811.867 23236.87       1253.076 328.6847 13.13009 331.4184 9.005795 -2.733704 
15.92180 
1 1 1 4   -13 6  o 248.9360 6.052943  13430.70       593.6254 12145.57       
1008.496 14112.04       734.3154 239.2326 10.04095 258.6395 6.762526 -19.40691 
12.10589 
1 1 1 4   -13 7  o 185.9968 5.009391  7327.761       343.6996 7264.610       
670.2184 7350.294       400.3501 185.1735 8.621020 186.8201 5.104314 -1.646652 
10.01878 
1 1 1 4   -13 8  o 75.83559 3.680726  1203.511       116.0195 1270.034       
179.0202 1155.338       152.3422 77.61279 5.494014 74.05840 4.899671 3.554398 
7.361451 
1 1 1 4   -13 9  o 180.2618 5.330246  6871.809       354.6495 6920.368       
693.2575 6854.596       412.7471 180.2785 9.159496 180.2451 5.454332 
0.3341675E-01  10.66049 
1 1 1 4   -13 10 o 208.1113 6.463516  9253.795       558.9238 9172.793       
851.3238 9315.160       740.9878 207.0564 9.793259 209.1662 8.438023 -2.109787 
12.92703 
1 1 1 4   -13 11 o 202.6851 5.657213  8790.193       471.4695 8945.998       
611.4156 8561.663       740.4890 205.2298 7.096058 200.1404 8.812616 5.089371 
11.31443 
1 1 1 4   -13 12 o 40.14743 4.402327  335.7263       71.14244 446.6530       
111.2946 259.0834       92.51067 45.92610 5.772125 34.36876 6.648645 11.55733 
8.804653 
1 1 1 4   -13 13 o 122.2062 4.485458  3170.207       230.0662 3080.300       
325.1428 3260.357       325.5830 120.4524 6.429540 123.9600 6.256065 -3.507614 
8.970916 
1 1 1 4   -13 14 o 87.93520 4.003732  1640.284       147.0123 1605.861       
218.2862 1668.858       198.8799 87.04684 5.973025 88.82357 5.333148 -1.776733 
8.007464 
1 1 1 4   -13 15 o 31.41052 6.069353  218.3206       82.36422 209.2473       
117.3905 227.1179       115.5916 30.82072 8.695278 32.00031 8.469965 -1.179588 
12.13871 
1 1 1 4   -13 16 o 36.92526 5.154321  339.4573       72.80912 182.7780       
123.9875 421.9241       89.95215 29.18113 9.124796 44.66939 4.796479 -15.48826 
10.30864 
1 1 1 4   -13 17 o 243.0341 8.744886  13208.11       729.9327 13020.82       
1556.455 13260.91       826.4512 237.8158 15.58895 248.2523 7.929483 -10.43652 
17.48977 
1 1 1 4   -13 18 o 66.24258 7.579133  947.4501       210.7831 0.000000       
0.000000 947.4501       210.7831 ?        ?        66.24258 7.579133 ? ? 
1 1 1 4   -13 19 o 136.7053 5.380163  4116.306       286.4918 3891.130       
501.7108 4225.256       348.9847 132.9927 8.985594 140.4179 5.919773 -7.425186 
10.76033 
1 1 1 4   -13 20 o 84.76184 3.861760  1567.257       116.2849 1488.880       
236.3737 1592.282       133.5654 82.85016 6.795586 86.67352 3.670528 -3.823364 
7.723521 
1 1 1 4   -13 21 o 115.1595 4.085968  2911.552       179.0816 2757.425       
326.8633 2977.661       214.0696 112.2054 6.938628 118.1137 4.316939 -5.908295 
8.171935 
1 1 1 4   -13 22 o 46.85613 5.074483  506.3791       90.12005 453.9121       
154.1238 533.6375       111.0904 44.08156 8.635792 49.63071 5.331473 -5.549145 
10.14897 
1 1 1 4   -13 23 o 25.87443 6.310277  140.0742       77.30664 179.6089       
144.4555 124.2076       91.51408 28.11244 9.864935 23.63643 7.871560 4.476017 
12.62055 
1 1 1 4   -13 24 o 34.31301 6.259966  304.2255       92.59705 208.9707       
151.2873 361.2855       117.0913 29.37602 10.11573 39.25001 7.377038 -9.873985 
12.51993 
1 1 1 4   -13 25 o 23.32400 6.666278  58.03574       95.87234 201.3664       
174.9363 -3.493912      114.6180 28.78014 10.76016 17.86786 7.872479 10.91227 
13.33256 
1 1 1 4   -13 26 o 76.98484 4.375793  1333.101       137.7679 1457.108       
224.9276 1258.648       174.2858 79.18394 6.765918 74.78574 5.550913 4.398209 
8.751587 
1 1 1 4   -13 27 o 44.81850 6.131895  492.3348       107.8833 630.3198       
181.5381 416.9977       134.1394 49.07161 9.152269 40.56540 8.163119 8.506218 
12.26379 
1 1 1 4   -13 28 o 19.05445 5.845090  32.19883       91.92233 -135.5721      
172.2144 99.04208       108.7026 17.07294 8.210710 21.03596 8.321332 -3.963015 
11.69018 
1 1 1 4   -13 29 o 71.32436 5.315495  1307.653       140.5314 1341.520       
264.5584 1294.341       165.8675 68.49856 9.199434 74.15015 5.328074 -5.651596 
10.63099 
1 1 1 4   -12 0  f 201.6386 3.121179  8391.926       258.0946 7877.638       
327.1418 9239.716       420.0262 193.6237 4.024377 209.6536 4.771941 -16.02997 
6.242358 
1 1 1 4   -12 1  o 182.3086 3.466944  6867.193       226.5930 6759.572       
258.9235 7219.218       468.2850 179.3801 3.438097 185.2370 6.021485 -5.856857 
6.933888 
1 1 1 4   -12 2  o 53.13989 2.377119  597.5603       51.55567 612.6192       
66.06740 574.1107       82.44377 54.00714 2.913782 52.27265 3.756682 1.734493 
4.754239 
1 1 1 4   -12 3  o 239.0783 3.120328  11706.42       294.9998 11141.08       
357.1007 12921.31       523.4870 230.2697 3.693813 247.8869 5.030062 -17.61720 
6.240655 
1 1 1 4   -12 4  o 216.7076 4.595105  9816.471       410.5717 10262.53       
651.0358 9521.920       529.0378 220.7088 7.025970 212.7065 5.924164 8.002335 
9.190210 
1 1 1 4   -12 5  o 133.1220 4.392537  3731.483       244.4342 3731.896       
362.9337 3731.140       330.6779 133.1097 6.494394 133.1343 5.916111 
-0.2456665E-01 8.785074 
1 1 1 4   -12 6  o 209.4419 10.24008  9293.991       900.4219 9293.991       
900.4219 0.000000       0.000000 209.4419 10.24008 ?        ?        ? ? 
1 1 1 4   -12 7  o 152.2321 4.812398  4877.572       300.9481 4934.732       
478.9958 4840.292       386.8328 152.8963 7.462010 151.5679 6.079071 1.328400 
9.624796 
1 1 1 4   -12 8  o 152.5586 4.599643  4872.310       290.3777 5123.944       
455.3832 4699.885       376.9565 155.7989 6.961997 149.3184 6.013108 6.480469 
9.199286 
1 1 1 4   -12 9  o 94.88407 3.609549  1889.187       143.3022 1812.445       
193.3941 1982.626       213.3994 92.76456 4.965721 97.00359 5.239941 -4.239029 
7.219097 
1 1 1 4   -12 10 o 240.9173 8.162983  12438.88       823.3676 12535.97       
1212.044 12355.68       1121.997 241.6091 11.94885 240.2255 11.12484 1.383575 
16.32597 
1 1 1 4   -12 11 o 181.0047 5.903646  6872.231       434.4245 7353.826       
719.6672 6596.139       544.9022 185.6581 9.232913 176.3512 7.359719 9.306976 
11.80729 
1 1 1 4   -12 12 f 180.4758 6.079050  6794.093       444.5901 7549.081       
747.7548 6381.255       552.9410 187.7306 9.487357 173.2210 7.603252 14.50960 
12.15810 
1 1 1 4   -12 13 o 37.09196 5.196336  302.8802       78.03607 321.2564       
111.0317 284.9423       109.6997 38.26291 7.176615 35.92101 7.516901 2.341908 
10.39267 
1 1 1 4   -12 14 o 74.78502 3.917397  1181.417       122.8043 1227.688       
179.8658 1141.013       168.0759 76.14390 5.626452 73.42614 5.452251 2.717758 
7.834795 
1 1 1 4   -12 15 o 134.4353 3.976586  3853.895       222.3131 3582.727       
330.8278 4077.171       300.1960 130.0002 6.061484 138.8705 5.148918 -8.870270 
7.953172 
1 1 1 4   -12 16 o 18.66720 5.513933  22.16223       63.44947 10.22466       
130.7955 25.83599       72.55878 20.70073 8.746315 16.63367 6.716830 4.067059 
11.02787 
1 1 1 4   -12 17 o 42.97015 5.469670  425.6869       90.15125 329.5321       
149.6962 480.4054       112.9256 38.34186 9.366750 47.59844 5.650942 -9.256577 
10.93934 
1 1 1 4   -12 18 o 135.2730 8.993023  3965.309       510.7350 0.000000       
0.000000 3965.309       510.7350 ?        ?        135.2730 8.993023 ? ? 
1 1 1 4   -12 19 o 49.34541 5.405967  544.7820       92.03310 512.8658       
185.3668 555.2234       106.0239 47.57355 9.617221 51.11727 4.940342 -3.543724 
10.81193 
1 1 1 4   -12 20 o 108.6652 4.474997  2538.722       151.0894 2537.000       
370.8265 2539.064       165.4447 107.7767 8.195339 109.5536 3.597055 -1.776924 
8.949994 
1 1 1 4   -12 21 o 73.75688 3.846356  1169.397       108.4476 1159.956       
199.2084 1173.373       129.2842 73.21624 6.480690 74.29752 4.144692 -1.081284 
7.692712 
1 1 1 4   -12 22 o 145.9699 4.623374  4593.708       271.1703 4842.844       
459.4001 4460.489       335.9370 148.2096 7.383051 143.7301 5.567127 4.479492 
9.246748 
1 1 1 4   -12 23 o 45.12502 5.159866  432.1951       81.43073 516.1760       
170.2848 407.2968       92.71938 46.84776 8.978046 43.40229 5.088374 3.445473 
10.31973 
1 1 1 4   -12 24 o 72.99273 4.007204  1132.338       108.8579 1252.438       
213.7552 1090.284       126.4893 74.81806 6.805050 71.16740 4.233442 3.650665 
8.014408 
1 1 1 4   -12 25 o 37.26951 5.943112  332.8008       82.49948 329.1684       
164.0152 334.0312       95.45380 35.77675 10.33819 38.76226 5.865502 -2.985512 
11.88622 
1 1 1 4   -12 26 o 22.27768 6.271351  20.00741       90.32937 219.0034       
159.5371 -73.88699      109.5871 29.37791 10.36131 15.17744 7.068425 14.20047 
12.54270 
1 1 1 4   -12 27 o 23.18057 6.674486  102.5239       94.99776 71.13589       
189.4141 113.0726       109.8065 23.69922 10.28087 22.66193 8.514620 1.037292 
13.34897 
1 1 1 4   -12 28 o 21.13530 6.403646  57.25574       92.93784 97.00360       
174.4730 41.50956       109.8143 23.45986 10.01393 18.81075 7.984233 4.649113 
12.80729 
1 1 1 4   -12 29 o 33.56588 7.199269  263.1368       95.79173 565.5291       
209.4125 183.1205       107.7225 41.39935 11.59233 25.73241 8.540241 15.66694 
14.39854 
1 1 1 4   -11 0  o 322.7453 3.311301  21664.97       416.1999 22502.53       
750.4246 21292.88       500.1775 327.1303 5.463958 318.3603 3.742194 8.769989 
6.622602 
1 1 1 4   -11 1  o 493.3067 3.779256  51188.65       768.8074 51274.86       
998.1575 51062.91       1205.461 493.8950 4.813772 492.7184 5.827409 1.176575 
7.558511 
1 1 1 4   -11 2  f 235.4189 4.105086  11725.85       396.3707 11991.80       
511.9610 11327.90       626.2614 238.8244 5.105981 232.0134 6.429298 6.811005 
8.210172 
1 1 1 4   -11 3  o 170.9703 2.908575  6243.093       189.0530 6386.210       
225.3883 5903.415       347.2316 174.3692 3.078808 167.5714 4.935604 6.797745 
5.817151 
1 1 1 4   -11 4  o 183.7338 2.587800  7097.777       195.4323 7066.756       
309.3638 7118.378       252.1075 183.3831 4.018197 184.0844 3.262045 
-0.7012482     5.175601 
1 1 1 4   -11 5  o 216.5029 3.684226  9793.264       268.8105 9749.829       
300.5834 9966.746       600.7259 215.4315 3.323356 217.5742 6.576427 -2.142746 
7.368452 
1 1 1 4   -11 6  o 89.66353 3.426497  1688.906       127.5631 1702.010       
195.8185 1679.246       168.1329 89.95396 5.185068 89.37310 4.480917 0.5808640 
6.852995 
1 1 1 4   -11 7  o 411.3604 11.67979  35925.74       2017.142 0.000000       
0.000000 35925.74       2017.142 ?        ?        411.3604 11.67979 ? ? 
1 1 1 4   -11 8  o 278.5205 7.476427  16462.63       827.1174 16436.21       
1420.364 16476.19       1017.422 277.8761 12.17502 279.1649 8.680830 -1.288788 
14.95285 
1 1 1 4   -11 9  o 131.5027 4.709080  3649.859       259.7986 3717.474       
362.7577 3578.660       372.2475 132.7681 6.507944 130.2373 6.807967 2.530807 
9.418160 
1 1 1 4   -11 10 o 45.29196 3.911694  418.3105       72.92349 505.6179       
118.2873 364.7847       92.61781 48.97320 5.753086 41.61073 5.301641 7.362473 
7.823388 
1 1 1 4   -11 11 o 41.54992 4.653442  370.5979       78.46350 443.0493       
113.3145 303.8605       108.7543 45.81827 5.890711 37.28156 7.205388 8.536713 
9.306884 
1 1 1 4   -11 12 o 22.59875 5.727336  92.14154       69.05997 81.89400       
102.0612 100.7960       93.79290 22.23828 8.237740 22.95923 7.959218 
-0.7209530     11.45467 
1 1 1 4   -11 13 f 145.5188 4.654188  4533.896       279.0940 4761.638       
367.0704 4221.840       429.6801 150.0447 5.827065 140.9929 7.258870 9.051743 
9.308376 
1 1 1 4   -11 14 o 78.79900 3.945362  1288.751       129.2641 1104.688       
169.9809 1541.171       199.0573 72.25181 5.603668 85.34618 5.555398 -13.09438 
7.890725 
1 1 1 4   -11 15 o 28.03694 6.207202  161.9822       83.42830 106.0145       
115.5216 222.9930       120.6140 24.31169 8.792345 31.76219 8.764252 -7.450504 
12.41440 
1 1 1 4   -11 16 o 103.4395 3.920715  2252.237       146.5360 2289.196       
296.5558 2240.299       168.5504 103.7826 6.806174 103.0964 3.894102 0.6861877 
7.841431 
1 1 1 4   -11 17 o 43.60509 5.286777  428.1546       80.97388 381.8761       
159.0802 444.3382       94.07265 41.35480 9.376704 45.85538 4.886458 -4.500584 
10.57355 
1 1 1 4   -11 18 o 172.5939 7.289973  6359.579       528.2390 0.000000       
0.000000 6359.579       528.2390 ?        ?        172.5939 7.289973 ? ? 
1 1 1 4   -11 19 o 54.88504 4.496051  629.3867       92.55881 672.8632       
178.8152 613.4744       108.1789 55.96067 7.611015 53.80941 4.788563 2.151257 
8.992102 
1 1 1 4   -11 20 o 139.4937 4.501540  4172.527       242.6356 4159.616       
438.1462 4178.238       291.3965 138.7791 7.519967 140.2082 4.950307 -1.429031 
9.003080 
1 1 1 4   -11 21 o 122.4499 3.843534  3321.105       178.4512 2920.406       
321.5027 3499.521       214.5325 116.4083 6.578422 128.4915 3.976854 -12.08320 
7.687067 
1 1 1 4   -11 22 o 54.77576 4.222437  626.5714       94.68845 738.2533       
156.1889 561.6725       119.0631 58.41513 6.368628 51.13638 5.545853 7.278744 
8.444875 
1 1 1 4   -11 23 o 82.68366 4.004754  1452.526       120.5181 1533.444       
242.5999 1426.014       138.8653 83.58274 6.913454 81.78458 4.044300 1.798157 
8.009507 
1 1 1 4   -11 24 o 87.34764 3.837077  1622.415       121.1026 1729.999       
246.8031 1588.297       138.9848 88.46968 6.644728 86.22560 3.839300 2.244080 
7.674154 
1 1 1 4   -11 25 o 34.66532 6.272635  303.3151       86.08939 229.8221       
178.6252 325.5511       98.25360 30.98966 10.96022 38.34098 6.103884 -7.351328 
12.54527 
1 1 1 4   -11 26 o 66.89598 4.131482  981.4268       100.0685 1026.321       
201.4620 966.7224       115.2975 66.92669 7.169930 66.86527 4.107149 
0.6141663E-01  8.262963 
1 1 1 4   -11 27 o 64.00557 4.390963  928.8049       106.8888 931.3204       
196.8435 927.7531       127.2905 63.01301 7.440669 64.99812 4.664619 -1.985115 
8.781926 
1 1 1 4   -11 28 o 25.50241 7.003058  128.8031       92.05267 230.8167       
198.0244 100.6824       103.9689 29.29075 11.31786 21.71407 8.250897 7.576685 
14.00612 
1 1 1 4   -11 29 o 39.36334 6.360294  447.0454       96.41423 333.8336       
189.1198 486.8021       112.0718 32.86556 11.31076 45.86112 5.820666 -12.99556 
12.72059 
1 1 1 4   -11 30 f 28.00682 7.136495  201.4168       95.31628 378.6875       
193.7844 144.8415       109.4746 32.83192 11.43485 23.18171 8.541810 9.650213 
14.27299 
1 1 1 4   -10 0  o 98.16110 1.860071  1929.788       73.51057 2352.662       
127.4664 1719.058       89.98148 105.8419 2.868529 90.48033 2.368754 15.36154 
3.720142 
1 1 1 4   -10 1  o 309.7252 3.948597  20684.23       412.8846 21049.32       
464.5977 19312.64       900.5054 316.5539 3.495831 302.8965 7.081302 13.65738 
7.897194 
1 1 1 4   -10 2  o 167.5225 2.971231  5978.749       187.1450 6084.602       
221.1987 5712.146       351.0477 170.2058 3.095489 164.8392 5.072555 5.366638 
5.942463 
1 1 1 4   -10 3  o 453.3422 9.275069  43574.50       1765.151 43152.54       
2504.897 43990.72       2487.792 451.1249 13.22556 455.5595 13.00739 -4.434662 
18.55014 
1 1 1 4   -10 4  o 90.24905 2.707237  1711.615       102.4772 1702.756       
148.0165 1719.771       142.0188 90.02288 3.916321 90.47521 3.738844 
-0.4523315     5.414474 
1 1 1 4   -10 5  o 92.83325 2.731708  1810.945       106.4297 1749.968       
150.1156 1872.575       150.9162 91.26056 3.917993 94.40594 3.807655 -3.145378 
5.463415 
1 1 1 4   -10 6  o 113.2596 3.060792  2674.212       142.8080 2806.568       
227.2625 2587.847       183.5806 115.5447 4.684885 110.9745 3.940259 4.570213 
6.121583 
1 1 1 4   -10 7  o 89.08282 2.682440  1648.159       98.94609 1557.997       
128.2276 1780.860       155.5623 86.11216 3.546812 92.05347 4.025179 -5.941315 
5.364881 
1 1 1 4   -10 8  o 109.8582 3.568100  2562.875       162.2590 2372.810       
245.6939 2709.889       216.0850 106.1900 5.511017 113.5264 4.533656 -7.336418 
7.136199 
1 1 1 4   -10 9  o 249.6548 10.82860  13222.28       1134.988 13222.28       
1134.988 0.000000       0.000000 249.6548 10.82860 ?        ?        ? ? 
1 1 1 4   -10 10 o 323.6156 9.338224  22294.50       1184.054 22651.80       
2095.592 22126.94       1435.084 324.4691 15.38347 322.7621 10.59049 1.707031 
18.67645 
1 1 1 4   -10 11 o 179.7877 6.039996  6784.491       452.7497 6345.583       
599.1937 7368.508       691.1835 173.1290 8.243629 186.4464 8.829995 -13.31737 
12.07999 
1 1 1 4   -10 12 o 165.5396 5.869010  5810.590       407.6795 5862.304       
587.1860 5762.461       566.4640 166.2269 8.413862 164.8522 8.184624 1.374741 
11.73802 
1 1 1 4   -10 13 o 179.2827 6.249290  6814.290       468.4837 6535.389       
629.9448 7159.434       700.7728 175.2738 8.560643 183.2917 9.106586 -8.017807 
12.49858 
1 1 1 4   -10 14 o 148.0897 4.722076  4655.015       291.6108 4703.930       
391.5995 4594.125       436.9113 149.0521 6.257851 147.1273 7.073282 1.924759 
9.444153 
1 1 1 4   -10 15 o 46.94124 6.130879  467.0180       120.8249 467.0180       
120.8249 0.000000       0.000000 46.94124 6.130879 ?        ?        ? ? 
1 1 1 4   -10 16 o 52.18602 3.840004  592.0160       72.96025 544.3840       
142.2285 609.0266       84.99552 50.61349 6.693316 53.75854 3.765907 -3.145050 
7.680009 
1 1 1 4   -10 17 o 85.54507 3.778870  1461.672       120.0738 1735.666       
241.3636 1371.560       138.4176 90.43951 6.356742 80.65065 4.087940 9.788857 
7.557740 
1 1 1 4   -10 18 o 227.0420 10.99958  11188.60       1048.482 0.000000       
0.000000 11188.60       1048.482 ?        ?        227.0420 10.99958 ? ? 
1 1 1 4   -10 19 o 158.6031 6.001066  5313.314       360.3317 5621.327       
683.3613 5194.694       424.0777 160.9642 10.11212 156.2421 6.465000 4.722137 
12.00213 
1 1 1 4   -10 20 o 69.76300 4.281914  1093.653       110.6399 912.1732       
203.8863 1169.400       131.7212 65.16541 7.452328 74.36058 4.219236 -9.195168 
8.563828 
1 1 1 4   -10 21 o 94.19453 3.350384  1874.939       132.1078 1696.540       
180.1754 2082.359       194.2779 89.35834 4.802657 99.03073 4.672770 -9.672394 
6.700768 
1 1 1 4   -10 22 o 22.23259 6.140271  67.74293       79.71337 94.59177       
135.5914 53.56238       98.54078 24.36788 9.375720 20.09729 7.931430 4.270584 
12.28054 
1 1 1 4   -10 23 o 38.28391 6.190173  362.7938       90.55604 252.9681       
176.3634 402.1156       105.5294 33.37270 10.92751 43.19512 5.819153 -9.822426 
12.38035 
1 1 1 4   -10 24 o 31.44304 6.252201  228.4317       80.17132 222.8278       
154.2702 230.5051       93.83784 31.14402 10.22017 31.74204 7.204741 
-0.5980206     12.50440 
1 1 1 4   -10 25 o 65.66348 4.709785  1033.380       106.1981 806.9077       
211.8259 1109.414       122.7373 59.36972 8.498359 71.95724 4.062779 -12.58752 
9.419569 
1 1 1 4   -10 26 o 87.71301 3.914962  1690.082       135.0109 1694.439       
235.8024 1687.958       164.6750 87.08939 6.449174 88.33662 4.440254 -1.247231 
7.829923 
1 1 1 4   -10 27 o 85.44661 4.081820  1627.605       124.0972 1623.703       
252.9052 1628.842       142.4218 84.02780 7.168954 86.86542 3.905266 -2.837616 
8.163639 
1 1 1 4   -10 28 o 22.65043 6.307413  102.6932       82.70934 44.73792       
172.2107 120.0699       94.29700 22.46268 9.774525 22.83818 7.974489 
-0.3754959     12.61483 
1 1 1 4   -10 29 o 35.68310 6.029894  389.4294       90.52056 161.4760       
187.9832 458.2424       103.2837 26.36949 10.74929 44.99671 5.467288 -18.62722 
12.05979 
1 1 1 4   -10 30 o 33.63075 6.319480  333.2250       89.07055 234.3330       
190.6322 360.8437       100.7435 28.12008 11.05257 39.14142 6.130582 -11.02133 
12.63896 
1 1 1 4   -10 31 o 40.21847 6.634491  500.4949       101.3361 429.4044       
209.2305 522.2814       115.8277 33.86212 11.87339 46.57483 5.923551 -12.71271 
13.26898 
1 1 1 4   -9  0  o 103.3770 2.102658  2233.520       90.84673 2555.726       
133.2009 1953.288       124.2219 110.3157 2.876014 96.43842 3.068098 13.87725 
4.205316 
1 1 1 4   -9  1  o 64.78423 2.042066  898.9122       53.23177 948.7491       
67.44123 816.5542       86.69671 67.21788 2.389801 62.35058 3.311946 4.867302 
4.084132 
1 1 1 4   -9  2  o 165.3369 2.696453  5799.671       168.4033 5874.958       
199.3822 5612.276       314.5624 167.2565 2.839385 163.4172 4.584903 3.839294 
5.392907 
1 1 1 4   -9  3  o 165.5661 2.303478  5750.045       157.7025 5714.162       
205.6152 5801.312       245.7678 164.9478 2.969135 166.1844 3.522538 -1.236649 
4.606955 
1 1 1 4   -9  4  o 308.0184 5.480401  19898.38       591.3527 19829.41       
671.0436 20138.14       1251.108 307.1139 5.204421 308.9230 9.646407 -1.809143 
10.96080 
1 1 1 4   -9  5  o 313.2241 6.741824  20691.00       881.3688 20820.38       
1321.655 20587.38       1182.765 314.0184 10.02499 312.4297 9.017109 1.588715 
13.48365 
1 1 1 4   -9  6  f 248.5713 5.313643  13036.46       551.2700 13225.82       
743.5339 12805.31       821.5128 250.6283 7.066296 246.5143 7.937673 4.113937 
10.62729 
1 1 1 4   -9  7  o 74.32806 2.870338  1161.734       89.48440 1103.969       
126.6319 1219.350       126.4684 72.47928 4.161503 76.17683 3.954396 -3.697556 
5.740676 
1 1 1 4   -9  8  o 390.5229 8.365939  32319.27       1371.461 31594.28       
1928.296 33061.41       1950.982 386.0708 11.89673 394.9749 11.76535 -8.904175 
16.73188 
1 1 1 4   -9  9  o 162.3382 4.988628  5598.055       322.8948 5408.057       
545.8686 5700.317       400.4714 160.1015 8.121080 164.5749 5.796007 -4.473434 
9.977257 
1 1 1 4   -9  10 o 148.8132 6.879351  4668.093       429.8014 0.000000       
0.000000 4668.093       429.8014 ?        ?        148.8132 6.879351 ? ? 
1 1 1 4   -9  11 o 148.4424 5.373188  4636.502       332.7009 4513.745       
443.3698 4794.709       503.3344 146.2442 7.221187 150.6405 7.958584 -4.396378 
10.74638 
1 1 1 4   -9  12 o 66.92276 4.095836  945.5502       114.8880 905.7142       
164.8862 983.1393       160.1688 65.54091 5.992292 68.30460 5.585332 -2.763695 
8.191672 
1 1 1 4   -9  13 o 104.1948 4.199013  2290.823       183.6546 2348.941       
261.0288 2233.849       258.4440 105.5075 5.892859 102.8820 5.983399 2.625511 
8.398026 
1 1 1 4   -9  14 o 91.42560 3.906871  1745.095       146.7957 1856.780       
235.9032 1674.520       187.5260 93.74162 5.994078 89.10957 5.012545 4.632042 
7.813743 
1 1 1 4   -9  15 o 118.1231 4.381721  2937.283       213.7527 3045.036       
336.4818 2864.378       276.7741 119.8469 6.687376 116.3992 5.663649 3.447693 
8.763441 
1 1 1 4   -9  16 o 109.6616 3.433726  2441.584       133.6568 2726.120       
283.9580 2360.603       151.4872 113.4380 5.962337 105.8852 3.407703 7.552834 
6.867452 
1 1 1 4   -9  17 o 84.15373 4.004553  1414.390       123.1341 1676.003       
253.7936 1333.849       140.8184 88.78903 6.808360 79.51844 4.218058 9.270592 
8.009106 
1 1 1 4   -9  18 o 116.4447 5.841374  2872.524       285.5709 0.000000       
0.000000 2872.524       285.5709 ?        ?        116.4447 5.841374 ? ? 
1 1 1 4   -9  19 o 122.2818 4.346548  3120.097       215.5570 3373.232       
360.0435 2978.672       269.1180 125.9355 6.809697 118.6282 5.403511 7.307358 
8.693095 
1 1 1 4   -9  20 o 92.93977 4.005310  1839.671       146.4817 1813.797       
255.4075 1852.353       178.8128 92.27248 6.592993 93.60706 4.549996 -1.334579 
8.010619 
1 1 1 4   -9  21 o 81.60475 3.936975  1366.381       126.8841 1565.620       
227.1968 1276.073       152.9608 85.61566 6.320772 77.59385 4.695414 8.021812 
7.873949 
1 1 1 4   -9  22 o 54.61964 4.521610  675.4992       96.66095 523.6459       
157.4987 767.2579       122.4301 49.16837 7.629783 60.07090 4.854506 -10.90253 
9.043220 
1 1 1 4   -9  23 o 71.54374 3.985178  1078.156       107.8068 1141.388       
204.9690 1053.973       126.7561 72.65747 6.719375 70.43001 4.286791 2.227463 
7.970356 
1 1 1 4   -9  24 o 27.64070 6.009012  182.7122       81.77325 38.96502       
154.4669 238.6843       96.38771 22.86339 9.574839 32.41800 7.263288 -9.554607 
12.01802 
1 1 1 4   -9  25 o 120.8837 4.577667  3211.272       218.7019 3179.070       
377.0476 3227.600       268.4811 119.5325 7.513311 122.2348 5.231664 -2.702370 
9.155334 
1 1 1 4   -9  26 o 60.98219 4.376256  831.7330       96.70382 794.7775       
190.1950 844.6174       112.3034 59.28363 7.641620 62.68074 4.267563 -3.397110 
8.752511 
1 1 1 4   -9  27 o 43.23105 5.836588  467.4730       86.90108 390.6038       
176.8029 491.9590       99.78654 39.00914 10.54398 47.45296 5.008754 -8.443829 
11.67318 
1 1 1 4   -9  28 o 44.65781 5.937844  546.4283       90.55305 357.6992       
179.4960 610.8588       104.8771 36.51421 10.89262 52.80141 4.731036 -16.28720 
11.87569 
1 1 1 4   -9  29 o 81.75491 3.798971  1515.250       120.1277 1443.206       
212.4652 1549.103       145.6416 79.24799 6.385879 84.26182 4.116951 -5.013824 
7.597943 
1 1 1 4   -9  30 o 63.39046 4.520217  892.1191       107.2444 1048.349       
210.0079 837.0041       124.7350 65.59695 7.625581 61.18396 4.855922 4.412991 
9.040435 
1 1 1 4   -9  31 o 23.62198 6.805556  116.7967       91.15437 218.5120       
194.4684 88.15561       103.1931 26.96677 10.95308 20.27718 8.080366 6.689590 
13.61111 
1 1 1 4   -9  32 o 21.32749 6.715865  64.41879       105.8903 179.7351       
211.8443 26.01085       122.2593 24.67733 10.78903 17.97765 8.000506 6.699682 
13.43173 
1 1 1 4   -8  0  o 86.77193 2.171118  1553.351       71.81942 1516.132       
84.78456 1647.904       135.1352 84.97281 2.376610 88.57105 3.634108 -3.598244 
4.342237 
1 1 1 4   -8  1  o 155.0847 2.745889  4985.208       145.9684 4936.735       
163.9783 5170.224       320.3651 153.3280 2.547335 156.8414 4.865255 -3.513351 
5.491777 
1 1 1 4   -8  2  o 192.3870 3.391339  7735.989       218.9112 7850.930       
491.8330 7707.592       244.4612 193.2033 6.063511 191.5706 3.039499 1.632706 
6.782678 
1 1 1 4   -8  3  o 384.1906 7.806208  31159.86       1246.986 30998.51       
1650.987 31374.15       1902.685 383.2025 10.26210 385.1787 11.76591 -1.976227 
15.61242 
1 1 1 4   -8  4  o 232.0810 4.578220  11100.46       407.4926 10778.34       
482.6105 11900.42       760.5449 226.4374 5.076560 237.7245 7.620297 -11.28709 
9.156440 
1 1 1 4   -8  5  f 350.7927 6.859135  26045.41       1006.162 27062.62       
1380.172 24891.61       1469.921 358.2205 9.177064 343.3648 10.19669 14.85565 
13.71827 
1 1 1 4   -8  6  o 52.65572 2.946263  580.1262       64.99278 629.6264       
95.48611 537.3978       88.71437 54.73978 4.154877 50.57166 4.178379 4.168129 
5.892525 
1 1 1 4   -8  7  o 232.1568 4.176939  11473.67       390.9435 10832.82       
641.0674 11853.12       493.2851 226.8618 6.730750 237.4518 4.948158 -10.59003 
8.353877 
1 1 1 4   -8  8  o 482.1175 8.728736  49530.75       1523.497 49802.47       
1758.958 48714.75       3048.164 485.9486 8.621565 478.2864 15.17999 7.662262 
17.45747 
1 1 1 4   -8  9  o 475.0137 9.961412  47962.91       1948.368 47801.24       
2519.571 48203.37       3072.899 474.6313 12.64420 475.3961 15.39621 
-0.7648010     19.92282 
1 1 1 4   -8  10 o 177.7232 3.997196  6585.984       286.0190 6438.830       
355.1996 6857.361       482.3610 174.9828 4.835019 180.4635 6.366545 -5.480698 
7.994391 
1 1 1 4   -8  11 o 272.4902 8.534041  15754.74       960.6257 15620.87       
1249.380 15948.33       1502.407 271.3742 10.96597 273.6061 13.07926 -2.231903 
17.06808 
1 1 1 4   -8  12 o 278.2875 13.89210  16578.63       1623.083 16578.63       
1623.083 0.000000       0.000000 278.2875 13.89210 ?        ?        ? ? 
1 1 1 4   -8  13 o 122.8173 4.678028  3180.281       240.9962 2995.994       
335.5195 3376.691       346.3802 119.1363 6.708026 126.4983 6.522129 -7.362038 
9.356056 
1 1 1 4   -8  14 o 108.1889 4.404200  2462.220       199.6451 2323.805       
272.0902 2623.652       293.8446 104.9125 6.177413 111.4652 6.279130 -6.552673 
8.808399 
1 1 1 4   -8  15 o 146.6317 3.731114  4425.339       222.2743 4969.954       
372.3096 4123.719       277.0703 153.3936 5.781201 139.8697 4.718321 13.52393 
7.462227 
1 1 1 4   -8  16 o 125.5381 3.681557  3337.114       193.3071 3009.067       
273.6385 3663.912       273.1173 119.3250 5.462190 131.7511 4.937603 -12.42609 
7.363113 
1 1 1 4   -8  17 o 44.44463 4.620852  373.6715       79.96262 550.5497       
152.1166 306.1329       93.99729 50.87397 7.122001 38.01528 5.889497 12.85868 
9.241703 
1 1 1 4   -8  18 f 70.59177 6.571176  1058.459       194.7494 0.000000       
0.000000 1058.459       194.7494 ?        ?        70.59177 6.571176 ? ? 
1 1 1 4   -8  19 o 112.8586 3.730549  2715.437       172.8362 2584.981       
271.1025 2804.770       224.3389 110.4606 5.845844 115.2567 4.636172 -4.796082 
7.461098 
1 1 1 4   -8  20 o 71.72465 4.195631  1068.671       108.2419 1134.792       
222.8006 1048.243       123.8386 72.96380 7.273274 70.48550 4.184824 2.478302 
8.391262 
1 1 1 4   -8  21 f 247.9044 6.479677  13200.33       639.2482 13005.28       
785.6312 13582.45       1099.649 246.3542 7.595911 249.4547 10.49986 -3.100510 
12.95935 
1 1 1 4   -8  22 o 144.5426 4.627037  4385.975       272.0783 4820.349       
452.1794 4139.461       340.6433 149.7504 7.192237 139.3348 5.823194 10.41553 
9.254073 
1 1 1 4   -8  23 o 20.30724 5.977656  28.90454       83.36253 -75.37335      
156.6985 70.06641       98.45013 19.56247 8.865928 21.05201 8.020274 -1.489534 
11.95531 
1 1 1 4   -8  24 o 59.14171 4.599443  820.9175       99.15844 612.5620       
180.0453 911.6297       118.7988 52.81127 8.120378 65.47215 4.321917 -12.66087 
9.198886 
1 1 1 4   -8  25 o 27.46075 6.218261  169.8452       78.71655 138.9444       
142.2120 183.4944       94.51593 26.58226 9.741312 28.33924 7.731359 -1.756971 
12.43652 
1 1 1 4   -8  26 o 41.62576 5.939045  487.3604       86.56239 236.9994       
177.0509 566.0042       99.23091 31.93965 10.94857 51.31187 4.606279 -19.37221 
11.87809 
1 1 1 4   -8  27 o 23.58175 6.490775  92.82720       80.05888 123.9846       
170.3466 83.99420       90.69987 26.23450 10.40455 20.92900 7.763115 5.305500 
12.98155 
1 1 1 4   -8  28 o 65.01131 4.283266  939.3703       102.2821 949.9719       
199.7890 935.6047       119.0690 64.30743 7.399997 65.71518 4.315728 -1.407745 
8.566531 
1 1 1 4   -8  29 o 34.32163 6.402335  275.0229       85.36506 363.0239       
166.3886 243.5844       99.45124 36.96253 10.32765 31.68073 7.569630 5.281796 
12.80467 
1 1 1 4   -8  30 o 21.74712 5.800569  92.86542       83.59102 -123.3655      
165.6070 166.7909       96.83153 17.62390 8.345263 25.87034 8.058722 -8.246441 
11.60114 
1 1 1 4   -8  31 o 43.30063 6.441397  441.9363       100.9375 643.2969       
205.9497 378.2772       115.7989 47.53669 10.59359 39.06458 7.330914 8.472111 
12.88279 
1 1 1 4   -8  32 f 24.64391 6.957464  172.8127       110.0205 117.5898       
189.1427 201.0524       135.2570 23.16478 10.16060 26.12304 9.507227 -2.958260 
13.91493 
1 1 1 4   -7  0  o 264.3337 2.311311  14759.59       254.7491 15590.67       
346.9982 13787.99       375.1904 272.4612 3.033497 256.2062 3.488054 16.25500 
4.622621 
1 1 1 4   -7  1  o 209.8861 2.538690  9084.462       204.4559 8847.750       
242.3758 9668.457       380.7006 205.2594 2.812596 214.5128 4.227185 -9.253464 
5.077380 
1 1 1 4   -7  2  o 173.2772 2.554305  6284.819       177.6369 6232.082       
220.4380 6382.489       299.9919 172.2611 3.048037 174.2934 4.099678 -2.032257 
5.108609 
1 1 1 4   -7  3  o 222.4208 3.684565  10615.41       326.4775 11137.74       
408.0656 9686.438       544.2031 230.2350 4.221625 214.6066 6.040030 15.62848 
7.369130 
1 1 1 4   -7  4  o 134.4463 2.553485  3802.415       136.1802 3780.632       
234.5006 3813.499       167.2770 134.1401 4.163958 134.7525 2.956788 
-0.6124268     5.106970 
1 1 1 4   -7  5  o 228.1697 4.134360  11052.27       385.9800 11444.52       
498.2409 10463.55       610.3929 233.3314 5.086129 223.0081 6.519433 10.32324 
8.268720 
1 1 1 4   -7  6  o 190.4708 4.187531  7634.056       334.6248 7511.808       
480.0259 7749.619       466.7165 188.9787 6.050244 191.9629 5.791045 -2.984177 
8.375061 
1 1 1 4   -7  7  o 211.0772 4.959403  9378.083       439.3870 9399.920       
628.5850 9357.219       614.4308 211.3114 7.085362 210.8429 6.941206 0.4685059 
9.918805 
1 1 1 4   -7  8  o 47.03865 3.114067  462.5331       61.08789 485.5049       
92.76225 444.9416       81.17525 48.06208 4.597162 46.01523 4.201875 2.046848 
6.228134 
1 1 1 4   -7  9  o 339.3027 6.192321  24273.25       881.9205 23831.29       
1231.990 24737.76       1263.037 336.1412 8.729845 342.4643 8.784599 -6.323090 
12.38464 
1 1 1 4   -7  10 o 189.2189 4.300215  7533.216       341.5821 7411.137       
479.5480 7658.948       486.6709 187.6627 6.086606 190.7752 6.076234 -3.112518 
8.600430 
1 1 1 4   -7  11 o 85.55175 2.809659  1538.656       100.6417 1392.737       
140.8328 1690.946       143.8737 81.40154 4.120901 89.70196 3.820328 -8.300415 
5.619317 
1 1 1 4   -7  12 o 256.1770 7.561567  13861.08       758.5083 13768.53       
918.5763 14059.44       1344.763 255.2900 8.570427 257.0640 12.46021 -1.774017 
15.12313 
1 1 1 4   -7  13 o 69.31535 5.335540  1011.544       155.2697 0.000000       
0.000000 1011.544       155.2697 ?        ?        69.31535 5.335540 ? ? 
1 1 1 4   -7  14 o 107.0366 3.924275  2423.197       170.1534 2379.969       
278.8614 2448.837       214.7671 106.2176 6.253351 107.8555 4.742927 -1.637894 
7.848551 
1 1 1 4   -7  15 o 149.3909 4.308235  4484.913       213.1704 5088.524       
499.8168 4350.704       235.6805 154.9870 7.681335 143.7948 3.903926 11.19218 
8.616469 
1 1 1 4   -7  16 f 42.81672 4.623013  419.3739       71.36884 337.9990       
129.3870 454.9596       85.56245 39.16435 8.139688 46.46908 4.385713 -7.304729 
9.246027 
1 1 1 4   -7  17 o 119.6738 4.376361  2974.411       212.2172 3254.747       
356.1165 2820.036       264.2662 123.8422 6.849276 115.5054 5.449546 8.336739 
8.752722 
1 1 1 4   -7  18 o 62.61887 7.091482  834.2142       186.4323 0.000000       
0.000000 834.2142       186.4323 ?        ?        62.61887 7.091482 ? ? 
1 1 1 4   -7  19 f 164.3791 4.920803  5746.805       339.5870 5741.911       
481.8052 5751.635       478.7068 164.3017 6.984745 164.4565 6.933292 
-0.1548615     9.841605 
1 1 1 4   -7  20 o 38.93345 5.444994  324.6365       83.31071 373.0277       
138.9565 297.4808       104.0941 41.05264 8.352406 36.81426 6.987786 4.238384 
10.88999 
1 1 1 4   -7  21 o 33.35508 5.099182  292.7475       83.42075 -38.45106      
142.6397 464.9150       102.8423 19.84267 8.757228 46.86749 5.226623 -27.02483 
10.19836 
1 1 1 4   -7  22 o 25.20910 6.459917  107.5027       85.40372 155.6433       
143.5345 81.11868       106.2603 28.12346 9.836798 22.29474 8.376128 5.828722 
12.91983 
1 1 1 4   -7  23 o 97.04956 4.192451  1938.482       149.9612 2166.886       
300.8249 1862.955       172.9877 100.3409 7.140967 93.75827 4.394673 6.582581 
8.384901 
1 1 1 4   -7  24 o 27.70399 6.454683  164.4862       80.58202 132.7375       
163.7986 174.6236       92.55716 27.51109 10.38476 27.89689 7.668663 
-0.3858032     12.90937 
1 1 1 4   -7  25 o 26.47585 6.398472  152.1940       82.71471 68.66076       
168.2087 178.8348       94.99327 24.84567 10.15480 28.10604 7.787290 -3.260368 
12.79694 
1 1 1 4   -7  26 o 72.12617 4.002382  1132.331       107.9180 1109.969       
204.6338 1140.947       127.0168 71.12788 6.852650 73.12448 4.137324 -1.996605 
8.004765 
1 1 1 4   -7  27 o 98.76467 4.184481  2191.956       159.2745 1978.038       
280.0333 2294.250       193.6476 94.23481 7.078145 103.2945 4.465353 -9.059723 
8.368961 
1 1 1 4   -7  28 o 81.90907 3.692383  1480.133       113.6008 1433.210       
212.7184 1498.855       134.3661 80.24141 6.314335 83.57674 3.829353 -3.335335 
7.384767 
1 1 1 4   -7  29 o 26.42821 6.616728  139.0595       82.47691 236.6117       
164.4854 106.2944       95.32679 30.61251 10.54714 22.24390 7.992631 8.368608 
13.23346 
1 1 1 4   -7  30 o 58.89488 4.258775  786.0052       97.57725 784.4591       
172.8306 786.7286       118.2216 58.00885 7.096551 59.78091 4.710372 -1.772060 
8.517550 
1 1 1 4   -7  31 o 18.64621 5.696043  12.70762       87.61807 -205.7381      
174.9291 85.86440       101.2319 16.57582 8.036732 20.71660 8.074068 -4.140772 
11.39209 
1 1 1 4   -7  32 o 31.12783 6.938879  304.1681       110.1069 152.5138       
212.7369 359.6583       128.6838 25.47689 10.97144 36.77877 8.498215 -11.30188 
13.87776 
1 1 1 4   -7  33 f 32.39056 7.695147  373.5614       127.5943 313.1582       
232.2089 399.6870       152.7149 28.66066 11.85385 36.12045 9.815673 -7.459789 
15.39029 
1 1 1 4   -6  0  o 178.6583 3.305294  6561.953       191.0482 6481.231       
210.5337 6938.478       454.6961 175.6764 2.854495 181.6402 5.962526 -5.963776 
6.610587 
1 1 1 4   -6  1  o 91.61564 2.323060  1694.968       87.57826 2153.803       
141.6629 1411.123       111.4215 101.2639 3.332135 81.96737 3.237794 19.29654 
4.646120 
1 1 1 4   -6  2  o 99.62066 2.688696  2078.334       112.2282 2185.599       
165.2205 1986.445       152.9213 101.9986 3.858253 97.24268 3.745693 4.755951 
5.377391 
1 1 1 4   -6  3  o 99.72555 2.612173  2077.861       109.0713 2273.429       
161.1794 1912.647       148.1439 104.0311 3.690347 95.41998 3.697989 8.611130 
5.224345 
1 1 1 4   -6  4  o 246.1895 3.285704  12803.56       320.2977 12939.68       
393.5154 12536.36       551.3345 248.1854 3.776649 244.1937 5.377763 3.991623 
6.571409 
1 1 1 4   -6  5  o 204.3140 6.891001  8784.720       591.0978 0.000000       
0.000000 8784.720       591.0978 ?        ?        204.3140 6.891001 ? ? 
1 1 1 4   -6  6  o 169.1952 3.984683  6023.865       282.8116 5882.619       
405.2758 6157.931       394.8404 167.2536 5.771602 171.1368 5.495399 -3.883224 
7.969366 
1 1 1 4   -6  7  o 193.4755 2.629811  7850.860       212.6158 7993.034       
317.6458 7735.460       286.1784 195.0534 3.878919 191.8976 3.552127 3.155823 
5.259622 
1 1 1 4   -6  8  o 257.8639 5.893198  14014.08       637.9011 13916.45       
908.2379 14109.13       896.1407 256.9673 8.418657 258.7606 8.248960 -1.793274 
11.78640 
1 1 1 4   -6  9  o 506.4350 11.37943  54657.39       2419.030 54763.50       
3390.292 54547.34       3452.608 507.0132 15.92718 505.8567 16.25702 1.156525 
22.75886 
1 1 1 4   -6  10 o 244.4137 4.386566  12576.79       449.7845 12364.52       
645.3834 12777.25       627.1895 242.3942 6.341859 246.4331 6.062067 -4.038895 
8.773131 
1 1 1 4   -6  11 o 247.6037 4.469560  13235.25       405.1465 12223.21       
785.0613 13602.63       473.0000 240.8173 7.764918 254.3901 4.428760 -13.57272 
8.939119 
1 1 1 4   -6  12 o 322.4332 6.675321  22022.23       897.1570 21523.90       
1343.397 22423.41       1205.343 318.9931 10.03100 325.8734 8.810143 -6.880219 
13.35064 
1 1 1 4   -6  13 f 254.7423 5.298485  13613.25       542.3964 13428.34       
673.4171 13954.76       915.1608 252.4708 6.353223 257.0138 8.481292 -4.543060 
10.59697 
1 1 1 4   -6  14 o 146.4217 5.430285  4528.241       333.7996 4587.508       
474.4936 4470.173       469.6711 147.3714 7.668991 145.4721 7.690160 1.899338 
10.86057 
1 1 1 4   -6  15 o 129.0226 6.323241  3512.640       342.5188 3512.640       
342.5188 0.000000       0.000000 129.0226 6.323241 ?        ?        ? ? 
1 1 1 4   -6  16 o 61.07541 3.237995  811.7486       80.13190 656.6503       
122.9936 926.1375       105.6261 55.80563 5.249594 66.34518 3.792126 -10.53956 
6.475990 
1 1 1 4   -6  17 o 122.6985 4.353490  3185.558       192.1118 3181.676       
389.7902 3186.803       220.7905 122.4098 7.584653 122.9871 4.276041 
-0.5772705     8.706980 
1 1 1 4   -6  18 o 99.98703 6.148802  2117.915       258.1149 0.000000       
0.000000 2117.915       258.1149 ?        ?        99.98703 6.148802 ? ? 
1 1 1 4   -6  19 o 183.0688 6.435732  7003.937       450.6031 7662.571       
846.8652 6743.830       532.1926 188.1278 10.72216 178.0097 7.121086 10.11813 
12.87146 
1 1 1 4   -6  20 o 96.37829 3.861867  1909.060       143.6595 2109.372       
266.7396 1827.218       170.5001 99.69775 6.372696 93.05882 4.364035 6.638931 
7.723733 
1 1 1 4   -6  21 o 94.04044 3.853530  1809.167       136.6955 2015.115       
264.4135 1734.048       159.6911 97.41407 6.465217 90.66681 4.195207 6.747261 
7.707061 
1 1 1 4   -6  22 o 190.7999 5.999321  7794.874       451.4455 7890.067       
787.9130 7748.349       550.8250 190.9247 9.829632 190.6752 6.880824 0.2494812 
11.99864 
1 1 1 4   -6  23 o 179.3677 5.706882  7012.217       400.7201 6719.074       
698.7133 7155.894       489.1618 175.6452 9.475101 183.0902 6.363683 -7.445023 
11.41376 
1 1 1 4   -6  24 o 120.8081 4.014866  3134.442       172.0831 3080.741       
353.9305 3151.067       196.9265 119.5751 7.050151 122.0411 3.843432 -2.465988 
8.029732 
1 1 1 4   -6  25 o 123.0917 4.253123  3141.198       196.9177 3516.695       
382.3824 3005.675       229.7208 127.3379 7.152558 118.8455 4.604035 8.492355 
8.506247 
1 1 1 4   -6  26 o 83.51080 4.078502  1575.878       126.6907 1338.168       
232.5563 1676.197       151.0771 78.25651 7.078295 88.76510 4.053941 -10.50859 
8.157003 
1 1 1 4   -6  27 o 21.43665 6.126685  41.45543       76.44479 118.5891       
151.2441 14.98871       88.59446 25.73445 9.901987 17.13884 7.217738 8.595612 
12.25337 
1 1 1 4   -6  28 o 39.08702 5.935479  393.9749       85.39388 273.3973       
167.5646 436.2762       99.24891 33.40107 10.63210 44.77298 5.279963 -11.37190 
11.87096 
1 1 1 4   -6  29 o 56.52117 3.966813  688.2509       85.38396 746.0063       
160.7274 665.5434       100.7808 57.57541 6.649269 55.46692 4.327775 2.108490 
7.933625 
1 1 1 4   -6  30 f 49.11469 5.133516  608.3560       82.76801 476.7010       
166.4209 651.6225       95.40377 43.43506 9.392178 54.79430 4.147164 -11.35924 
10.26703 
1 1 1 4   -6  31 o 42.10252 5.920664  442.5030       85.64146 429.5214       
180.5572 446.2713       97.28073 39.48567 10.64751 44.71937 5.181461 -5.233700 
11.84133 
1 1 1 4   -6  32 o 43.61443 6.153152  495.0226       96.08747 474.5128       
189.7031 502.1005       111.4405 40.39257 10.92365 46.83628 5.667371 -6.443714 
12.30630 
1 1 1 4   -6  33 o 24.13116 7.319873  119.3529       122.3210 243.6080       
224.7777 67.07443       145.8000 27.53893 11.54234 20.72338 9.005365 6.815550 
14.63975 
1 1 1 4   -5  0  o 429.4549 6.394010  38947.07       1140.715 39375.44       
1512.379 38381.78       1737.346 432.3338 8.332253 426.5759 9.700876 5.757874 
12.78802 
1 1 1 4   -5  1  o 165.3012 2.855131  5820.231       186.2057 5982.494       
229.0216 5503.773       319.8335 168.7721 3.232190 161.8303 4.707444 6.941803 
5.710261 
1 1 1 4   -5  2  o 219.8985 4.090493  10170.29       361.3638 10175.81       
449.9807 10160.25       606.4261 220.0373 4.871005 219.7596 6.572811 0.2777405 
8.180985 
1 1 1 4   -5  3  f 116.6299 2.510488  2856.288       116.0411 2860.210       
200.5415 2854.314       142.2798 116.6776 4.093905 116.5822 2.906913 
0.9545898E-01  5.020976 
1 1 1 4   -5  4  o 452.2711 5.590059  42441.07       852.2792 44150.70       
1913.554 42018.00       951.9096 457.4413 9.963830 447.1008 5.071207 10.34055 
11.18012 
1 1 1 4   -5  5  o 136.5720 2.763031  3960.312       143.8821 3817.940       
264.3230 4020.262       171.5203 134.7859 4.671019 138.3581 2.952787 -3.572189 
5.526063 
1 1 1 4   -5  6  o 209.2258 3.932554  9247.797       278.8939 9130.050       
613.7957 9278.432       313.0789 208.2822 7.019284 210.1694 3.548177 -1.887268 
7.865107 
1 1 1 4   -5  7  o 397.0303 6.356623  33500.77       881.4243 33720.64       
1001.567 32745.73       1856.058 400.4184 5.957818 393.6422 11.23081 6.776215 
12.71325 
1 1 1 4   -5  8  o 438.9023 9.940013  40871.55       1831.608 40982.91       
2593.931 40760.80       2586.654 439.4984 14.05796 438.3062 14.05665 1.192139 
19.88003 
1 1 1 4   -5  9  o 519.1434 8.615809  57023.55       1875.089 57448.96       
2731.283 56644.31       2578.832 520.8653 12.49000 517.4215 11.87134 3.443787 
17.23162 
1 1 1 4   -5  10 f 301.2719 6.970579  19063.04       875.2661 18388.49       
1160.967 19951.34       1332.265 295.2118 9.367143 307.3319 10.32533 -12.12015 
13.94116 
1 1 1 4   -5  11 o 464.2923 7.258919  46309.30       1359.543 42641.63       
2208.831 48546.21       1725.015 448.7836 11.72321 479.8010 8.563529 -31.01740 
14.51784 
1 1 1 4   -5  12 o 174.6827 3.748052  6466.454       265.2435 6227.646       
432.3922 6610.535       335.8588 172.0312 5.986759 177.3342 4.511129 -5.303055 
7.496104 
1 1 1 4   -5  13 o 107.2516 2.859141  2424.223       128.3913 2286.820       
184.8579 2552.275       178.4566 104.3015 4.221517 110.2016 3.857143 -5.900116 
5.718283 
1 1 1 4   -5  14 o 149.5666 2.679245  4704.901       167.8918 4655.595       
244.7422 4748.729       230.7451 148.8192 3.917156 150.3139 3.656406 -1.494720 
5.358490 
1 1 1 4   -5  15 o 154.5228 4.379347  4894.828       241.6089 5299.223       
505.5544 4775.126       275.0527 158.3797 7.603077 150.6659 4.348325 7.713821 
8.758694 
1 1 1 4   -5  16 o 97.72173 6.892303  2017.631       282.7707 0.000000       
0.000000 2017.631       282.7707 ?        ?        97.72173 6.892303 ? ? 
1 1 1 4   -5  17 o 118.4205 5.258646  2971.541       261.3861 2978.296       
373.8149 2965.079       365.6325 118.5410 7.511197 118.3000 7.361751 0.2409821 
10.51729 
1 1 1 4   -5  18 f 54.04222 6.158220  618.0099       139.7228 0.000000       
0.000000 618.0099       139.7228 ?        ?        54.04222 6.158220 ? ? 
1 1 1 4   -5  19 o 158.8709 5.739465  5171.717       303.1022 5748.428       
702.2960 5039.706       336.0071 163.3221 10.24227 154.4198 5.182826 8.902313 
11.47893 
1 1 1 4   -5  20 o 96.62775 3.878996  1989.311       143.0236 1944.398       
263.0468 2008.161       170.4148 95.67960 6.548392 97.57590 4.159928 -1.896301 
7.757992 
1 1 1 4   -5  21 o 268.4609 7.923867  15679.46       829.8182 15525.71       
1468.078 15751.66       1005.931 265.8309 13.15421 271.0910 8.838408 -5.260162 
15.84773 
1 1 1 4   -5  22 o 98.93959 3.457487  2094.580       135.0597 1991.952       
231.8399 2147.301       166.1679 96.96205 5.695180 100.9171 3.921961 -3.955078 
6.914974 
1 1 1 4   -5  23 o 176.7514 4.827071  6615.101       345.3316 6856.684       
574.1146 6478.142       432.2748 178.8983 7.643871 174.6046 5.896923 4.293762 
9.654142 
1 1 1 4   -5  24 o 76.12427 3.764835  1161.277       105.1414 1381.225       
215.4223 1092.499       120.4639 80.36893 6.384450 71.87961 3.991833 8.489319 
7.529671 
1 1 1 4   -5  25 o 32.41741 5.429523  285.5118       80.32223 18.43963       
154.7709 383.9590       93.96728 22.40138 9.491970 42.43345 5.274598 -20.03207 
10.85905 
1 1 1 4   -5  26 o 83.63619 4.134109  1555.379       115.7331 1415.570       
252.0932 1592.714       130.2728 80.55730 7.453791 86.71509 3.578328 -6.157791 
8.268218 
1 1 1 4   -5  27 o 22.26830 6.388290  61.55165       77.15175 66.88687       
177.7758 60.31364       85.63654 25.07919 10.37217 19.45741 7.460503 5.621788 
12.77658 
1 1 1 4   -5  28 f 20.81028 6.228163  20.09942       77.29787 89.61126       
172.1476 2.545158       86.50928 25.29757 10.29519 16.32300 7.012074 8.974564 
12.45633 
1 1 1 4   -5  29 o 52.91985 5.369873  758.1810       90.85297 430.6454       
172.5909 883.7334       106.8566 41.67987 9.980245 64.15983 3.966971 -22.47995 
10.73975 
1 1 1 4   -5  30 o 38.54267 5.509060  310.7708       78.61288 473.0974       
154.4741 254.0374       91.32306 44.13373 8.645195 32.95162 6.830781 11.18211 
11.01812 
1 1 1 4   -5  31 o 47.77792 5.824438  615.5773       91.70954 433.0591       
183.9723 675.9305       105.7912 40.00987 10.72925 55.54596 4.536472 -15.53609 
11.64888 
1 1 1 4   -5  32 o 43.48735 6.142278  450.2139       93.63067 536.4832       
197.4632 425.1917       106.3460 43.80869 10.79237 43.16601 5.868136 0.6426811 
12.28456 
1 1 1 4   -5  33 o 20.99866 6.093122  79.60829       89.68108 -25.16103      
159.4438 128.0919       108.4647 19.07002 8.739797 22.92731 8.492380 -3.857285 
12.18624 
1 1 1 4   -5  34 o 28.12233 7.244467  259.6339       121.4749 129.6640       
193.1936 344.6165       156.2199 23.35551 10.25638 32.88914 10.23405 -9.533636 
14.48893 
1 1 1 4   -4  0  o 189.0802 3.508398  7481.363       275.9376 7749.258       
422.9940 7282.906       364.0707 191.9998 5.247524 186.1606 4.658210 5.839264 
7.016797 
1 1 1 4   -4  1  o 36.04494 2.484680  272.1463       37.33403 319.7147       
54.40007 229.7951       51.33015 39.01528 3.321129 33.07460 3.696572 5.940681 
4.969360 
1 1 1 4   -4  2  o 227.2760 4.646145  10836.79       442.7095 11550.10       
645.9276 10204.85       607.9669 234.3100 6.566199 220.2419 6.575079 14.06808 
9.292290 
1 1 1 4   -4  3  o 281.8024 4.810044  16749.10       442.8861 16646.38       
1024.649 16772.70       491.1339 281.0604 8.683537 282.5443 4.140324 -1.483948 
9.620089 
1 1 1 4   -4  4  o 192.1990 4.534938  7770.831       365.9303 7765.026       
518.3752 7776.596       516.6364 192.1267 6.426547 192.2714 6.400168 
-0.1447296     9.069877 
1 1 1 4   -4  5  o 105.3340 2.564374  2355.461       111.8087 2157.242       
168.6895 2510.771       149.3193 101.3326 3.965152 109.3354 3.252940 -8.002792 
5.128747 
1 1 1 4   -4  6  o 121.2109 2.306180  3061.437       116.7045 2868.213       
155.3961 3311.409       176.7481 116.8607 3.167326 125.5612 3.352897 -8.700546 
4.612360 
1 1 1 4   -4  7  o 99.45532 2.629086  2077.640       109.7677 2039.918       
154.4103 2116.178       156.0730 98.54252 3.732276 100.3681 3.703848 -1.825600 
5.258173 
1 1 1 4   -4  8  o 287.3577 4.848069  17436.26       582.5351 16549.88       
849.1331 18224.34       800.6602 280.3970 7.213125 294.3184 6.479655 -13.92139 
9.696138 
1 1 1 4   -4  9  o 208.1160 4.153588  9147.641       339.5843 9219.642       
413.7772 8999.091       594.3351 209.4455 4.705616 206.7864 6.845901 2.659164 
8.307177 
1 1 1 4   -4  10 o 290.3052 4.862185  18081.02       504.5517 18405.02       
580.6985 17082.93       1019.214 295.9218 4.674066 284.6886 8.527394 11.23318 
9.724369 
1 1 1 4   -4  11 o 71.19276 2.890764  1070.759       85.76675 1009.379       
127.0800 1122.106       116.2299 69.30392 4.367577 73.08160 3.788183 -3.777687 
5.781527 
1 1 1 4   -4  12 o 240.4423 5.440894  12179.52       549.1817 12298.32       
783.4690 12064.76       770.0259 241.5914 7.724340 239.2932 7.664715 2.298187 
10.88179 
1 1 1 4   -4  13 o 222.7144 5.218355  10383.53       483.7475 10954.60       
741.8683 9961.104       638.0531 227.9633 7.751450 217.4655 6.988558 10.49786 
10.43671 
1 1 1 4   -4  14 o 160.0960 3.244806  5484.161       208.5740 5050.717       
342.7412 5739.081       262.8471 154.9407 5.268923 165.2514 3.788604 -10.31064 
6.489612 
1 1 1 4   -4  15 o 180.5541 3.304492  6866.557       248.9454 6774.418       
372.0208 6941.273       335.0053 179.4338 4.938374 181.6744 4.392169 -2.240616 
6.608984 
1 1 1 4   -4  16 o 211.9327 5.434878  9602.677       441.0890 9223.969       
802.8062 9766.437       527.9107 208.5979 9.166888 215.2675 5.841213 -6.669632 
10.86976 
1 1 1 4   -4  17 o 238.1881 9.792012  12144.68       972.1104 11467.19       
1286.147 13047.46       1484.668 230.7663 13.27514 245.6099 14.39808 -14.84357 
19.58402 
1 1 1 4   -4  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -4  19 o 98.80681 3.691148  1940.395       134.5452 2320.521       
273.8326 1819.422       154.4779 104.6803 6.230765 92.93335 3.959275 11.74692 
7.382296 
1 1 1 4   -4  20 o 57.42652 3.837748  716.7173       85.22147 647.0944       
149.8581 749.9954       103.6054 55.21558 6.464571 59.63747 4.137941 -4.421894 
7.675496 
1 1 1 4   -4  21 o 211.2327 5.659051  9434.409       435.0206 9723.757       
872.6417 9338.722       501.8211 212.4704 9.782699 209.9951 5.691946 2.475235 
11.31810 
1 1 1 4   -4  22 o 52.21194 4.016286  557.0601       80.77801 628.2587       
151.1561 528.5988       95.56916 54.38373 6.620303 50.04015 4.549044 4.343578 
8.032572 
1 1 1 4   -4  23 o 172.4717 4.785813  6403.228       292.2179 6194.812       
600.7970 6467.810       334.4428 169.9633 8.419643 174.9802 4.552543 -5.016922 
9.571627 
1 1 1 4   -4  24 o 32.92722 6.556929  219.3696       81.22731 281.7776       
178.6686 203.1103       91.19669 35.65326 10.91467 30.20118 7.269335 5.452076 
13.11386 
1 1 1 4   -4  25 o 45.85336 5.251506  502.3056       81.16074 385.4736       
161.4627 541.8054       93.88339 41.15183 9.526157 50.55490 4.423302 -9.403069 
10.50301 
1 1 1 4   -4  26 o 38.80989 5.516695  289.0189       74.12741 441.8051       
164.1532 249.8820       83.08074 44.00051 9.185904 33.61927 6.111861 10.38124 
11.03339 
1 1 1 4   -4  27 o 62.76539 4.011259  838.4614       91.36911 866.0383       
183.8963 829.4224       105.2839 63.06164 6.945907 62.46914 4.014370 0.5924950 
8.022517 
1 1 1 4   -4  28 o 43.66695 5.780560  422.2033       81.79627 453.9781       
188.6800 414.8495       90.76931 43.40766 10.46107 43.92624 4.921937 
-0.5185738     11.56112 
1 1 1 4   -4  29 o 109.5831 3.528288  2619.081       150.0204 2548.863       
266.8109 2651.543       181.4136 107.8376 5.893242 111.3287 3.881361 -3.491035 
7.056576 
1 1 1 4   -4  30 o 70.80527 3.584436  1056.129       95.29216 1184.945       
185.2714 1009.794       111.1166 73.05573 6.040531 68.55481 3.860663 4.500916 
7.168872 
1 1 1 4   -4  31 o 28.81858 6.455602  202.2206       79.36798 190.2064       
171.8380 205.4786       89.48476 28.35273 10.65175 29.28444 7.296529 
-0.9317188     12.91120 
1 1 1 4   -4  32 o 20.68847 6.251207  41.26919       80.78403 90.77351       
175.6799 27.99461       90.97263 24.00527 10.13924 17.37167 7.314793 6.633600 
12.50241 
1 1 1 4   -4  33 o 31.04609 6.407926  253.2246       82.80776 258.2631       
163.8169 251.4953       95.97198 30.24558 10.51553 31.84659 7.325954 -1.601006 
12.81585 
1 1 1 4   -4  34 o 65.04828 4.802100  1020.115       106.6755 1046.329       
226.7113 1012.660       120.8950 62.80386 8.598209 67.29269 4.279190 -4.488838 
9.604200 
1 1 1 4   -4  35 o 17.37970 5.670788  -3.742826      86.26201 -16.51259      
171.4881 0.5828167      99.80858 18.85731 8.805393 15.90210 7.148176 2.955215 
11.34158 
1 1 1 4   -3  0  o 228.3035 3.986051  10682.45       287.7360 10542.89       
315.0618 11383.88       706.3459 224.0430 3.349543 232.5640 7.234293 -8.520996 
7.972103 
1 1 1 4   -3  1  o 157.9823 2.978076  5060.167       152.6340 5536.893       
364.9681 4959.113       168.0344 162.2898 5.356543 153.6747 2.604455 8.615097 
5.956151 
1 1 1 4   -3  2  o 360.8296 4.106772  27417.81       610.9302 27164.13       
956.9661 27592.32       793.7228 359.3591 6.342917 362.3000 5.218210 -2.940979 
8.213544 
1 1 1 4   -3  3  o 211.3034 4.754272  9392.221       421.5013 9338.510       
585.0880 9450.173       607.7429 210.6833 6.614730 211.9235 6.830647 -1.240204 
9.508543 
1 1 1 4   -3  4  o 136.4682 3.174977  3912.186       181.8784 3995.027       
259.9203 3832.706       254.5923 137.8833 4.490032 135.0531 4.490158 2.830185 
6.349954 
1 1 1 4   -3  5  o 307.8456 4.966749  19706.45       483.1624 20306.92       
1177.011 19584.76       529.8642 310.3787 9.032538 305.3126 4.133719 5.066132 
9.933498 
1 1 1 4   -3  6  o 165.8757 3.473667  5694.725       218.0313 5986.548       
414.4742 5583.076       256.3694 168.7259 5.851091 163.0255 3.745688 5.700333 
6.947333 
1 1 1 4   -3  7  o 91.10468 2.621555  1739.941       100.0659 1690.506       
136.4543 1797.456       147.1830 89.70905 3.623031 92.50029 3.789968 -2.791237 
5.243110 
1 1 1 4   -3  8  o 101.0387 2.765424  2148.440       116.6953 2106.592       
173.2312 2183.208       157.8969 100.1319 4.120733 101.9456 3.689150 -1.813622 
5.530847 
1 1 1 4   -3  9  o 399.8871 8.029377  33863.93       1314.017 33500.52       
2101.626 34097.19       1683.701 397.8112 12.58345 401.9631 9.976995 -4.151947 
16.05875 
1 1 1 4   -3  10 o 294.4413 4.625949  18531.47       524.9031 18996.39       
632.3469 17501.24       941.3049 300.6169 5.010293 288.2658 7.777827 12.35107 
9.251898 
1 1 1 4   -3  11 o 74.02320 2.824627  1150.484       87.73196 1096.836       
122.4735 1207.026       125.7342 72.25126 4.037549 75.79514 3.951237 -3.543884 
5.649255 
1 1 1 4   -3  12 o 494.6406 5.545259  51561.09       1151.318 50825.41       
1637.473 52280.35       1619.101 491.1272 7.941477 498.1539 7.741612 -7.026703 
11.09052 
1 1 1 4   -3  13 o 146.5430 3.314400  4349.485       176.4684 4845.261       
362.3738 4195.362       202.0445 151.7681 5.687187 141.3180 3.405419 10.45006 
6.628799 
1 1 1 4   -3  14 o 92.23691 2.509657  1822.645       95.18505 1453.025       
138.1604 2156.589       131.3237 83.15057 3.957667 101.3232 3.087131 -18.17267 
5.019313 
1 1 1 4   -3  15 o 90.33174 2.606799  1664.174       87.74116 1825.014       
172.6833 1608.199       101.8712 93.16434 4.414907 87.49913 2.773120 5.665215 
5.213597 
1 1 1 4   -3  16 o 202.3437 4.079830  8645.357       345.6758 8039.720       
493.5445 9228.534       484.3053 195.3401 6.018052 209.3472 5.510272 -14.00711 
8.159659 
1 1 1 4   -3  17 o 198.1407 6.487028  8331.433       538.5767 8292.512       
785.5508 8365.954       739.8290 197.6360 9.467367 198.6454 8.871025 -1.009384 
12.97406 
1 1 1 4   -3  18 o 106.4108 4.234583  2383.727       189.1801 0.000000       
0.000000 2383.727       189.1801 ?        ?        106.4108 4.234583 ? ? 
1 1 1 4   -3  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -3  20 o 206.1970 6.340186  8981.982       505.9929 9408.202       
922.4310 8798.533       605.1660 208.9054 10.51732 203.4886 7.083624 5.416870 
12.68037 
1 1 1 4   -3  21 o 193.1812 4.368807  7883.187       344.3169 8053.581       
559.6137 7779.387       436.7776 194.6256 6.848720 191.7368 5.425951 2.888840 
8.737615 
1 1 1 4   -3  22 o 144.6415 5.056559  4238.984       243.2408 4811.095       
566.3342 4109.574       269.3498 149.7618 9.007262 139.5212 4.598302 10.24062 
10.11312 
1 1 1 4   -3  23 f 152.0268 4.562747  4858.438       222.2986 4986.253       
530.2072 4831.179       244.8592 152.6628 8.272438 151.3909 3.852456 1.271835 
9.125494 
1 1 1 4   -3  24 f 137.5289 3.788924  3927.010       202.2897 4223.362       
369.4647 3800.135       241.7444 140.9241 6.244658 134.1338 4.292787 6.790314 
7.577848 
1 1 1 4   -3  25 o 41.72986 5.935579  354.9105       84.59189 438.7371       
189.2713 333.9865       94.56186 43.85137 10.42052 39.60835 5.686570 4.243027 
11.87116 
1 1 1 4   -3  26 o 44.61042 5.692427  393.3450       90.47792 540.8174       
190.3962 350.3281       102.8306 48.77749 9.640433 40.44334 6.056149 8.334152 
11.38485 
1 1 1 4   -3  27 o 46.92547 5.307722  403.6939       89.33311 641.5534       
198.7218 343.4522       100.0079 53.88315 8.784431 39.96778 5.959985 13.91537 
10.61544 
1 1 1 4   -3  28 o 103.9713 4.169135  2341.830       146.6648 2329.904       
322.0202 2344.951       164.7437 102.8879 7.454864 105.0547 3.735204 -2.166786 
8.338270 
1 1 1 4   -3  29 o 29.61500 6.085689  162.9689       72.03128 314.6870       
148.6132 116.3824       82.35099 36.21605 9.612177 23.01394 7.466492 13.20211 
12.17138 
1 1 1 4   -3  30 o 80.65300 3.700211  1358.918       106.0896 1533.728       
224.2369 1308.505       120.4193 83.09180 6.427914 78.21421 3.667175 4.877586 
7.400422 
1 1 1 4   -3  31 o 23.42197 5.876859  124.4011       73.55445 21.01357       
149.0236 157.7003       84.57424 21.03338 9.121669 25.81056 7.412493 -4.777185 
11.75372 
1 1 1 4   -3  32 o 16.57862 5.557199  -97.59882      80.15611 -17.06716      
174.0911 -119.2637      90.29659 20.87907 9.409891 12.27817 5.914712 8.600904 
11.11440 
1 1 1 4   -3  33 o 33.10619 5.535703  333.2773       82.90533 77.48918       
163.5554 421.7264       96.17698 22.87590 9.727936 43.33647 5.286140 -20.46057 
11.07141 
1 1 1 4   -3  34 o 80.21629 4.114388  1394.482       113.7708 1670.243       
251.6755 1323.656       127.5471 82.81998 7.238139 77.61261 3.914346 5.207367 
8.228777 
1 1 1 4   -3  35 o 22.09951 6.288662  123.3686       89.15515 52.98740       
174.6961 148.1552       103.6724 20.86888 9.414617 23.33015 8.339908 -2.461277 
12.57732 
1 1 1 4   -2  0  o 284.0342 4.632329  16897.45       470.4774 17115.20       
967.0646 16829.93       538.5007 285.0663 8.080360 283.0021 4.532290 2.064148 
9.264657 
1 1 1 4   -2  1  o 157.1282 2.241768  5143.042       143.2390 5020.467       
180.2724 5352.955       235.9114 154.6188 2.777078 159.6377 3.519935 -5.018845 
4.483537 
1 1 1 4   -2  2  o 341.0977 6.013041  24694.47       797.7460 24027.62       
1418.050 25003.23       964.9149 337.4626 10.00891 344.7327 6.666955 -7.270081 
12.02608 
1 1 1 4   -2  3  o 99.64993 2.512072  2038.529       102.8194 2308.770       
167.2225 1874.256       130.3770 104.8350 3.799352 94.46490 3.287391 10.37007 
5.024143 
1 1 1 4   -2  4  o 124.6567 2.798142  3243.587       144.9151 3127.063       
190.1444 3405.061       223.8343 122.0088 3.712046 127.3045 4.187973 -5.295685 
5.596285 
1 1 1 4   -2  5  o 160.7084 3.645584  5384.728       240.7215 5222.699       
307.9559 5639.244       385.9661 157.6460 4.652931 163.7709 5.613498 -6.124863 
7.291167 
1 1 1 4   -2  6  o 126.3314 3.082664  3350.492       163.1395 3310.403       
222.8229 3396.809       239.5078 125.5212 4.228280 127.1415 4.486972 -1.620255 
6.165328 
1 1 1 4   -2  7  o 327.4826 5.910462  22306.17       748.2161 21870.56       
893.4194 23329.25       1369.165 322.4178 6.600205 332.5474 9.806710 -10.12961 
11.82092 
1 1 1 4   -2  8  o 289.7542 6.235583  17655.30       756.6295 18230.71       
1117.302 17167.91       1028.302 294.0740 9.049714 285.4344 8.580948 8.639587 
12.47117 
1 1 1 4   -2  9  o 247.3090 4.055051  12913.22       337.9557 12948.79       
378.5733 12773.62       749.9562 248.2789 3.631879 246.3391 7.251429 1.939743 
8.110103 
1 1 1 4   -2  10 o 117.2146 3.025108  2877.524       147.9154 2967.338       
223.6110 2807.651       197.2316 118.8299 4.482173 115.5993 4.063894 3.230568 
6.050216 
1 1 1 4   -2  11 o 278.5106 5.908607  16293.00       682.0053 16025.28       
892.2280 16669.29       1057.765 275.8474 7.704207 281.1738 8.960567 -5.326385 
11.81721 
1 1 1 4   -2  12 o 100.3910 3.036648  2120.064       127.5653 2146.354       
174.0857 2089.578       187.4654 101.0684 4.102689 99.71350 4.478043 1.354935 
6.073297 
1 1 1 4   -2  13 o 188.3239 3.757025  7440.420       269.5407 7499.363       
501.5017 7416.477       319.6320 188.7789 6.327615 187.8690 4.052436 0.9099121 
7.514050 
1 1 1 4   -2  14 o 136.9315 2.737187  3790.136       148.7143 4393.271       
264.5316 3511.435       179.8205 144.5750 4.358184 129.2880 3.312853 15.28700 
5.474373 
1 1 1 4   -2  15 f 229.4624 4.508994  10988.48       406.9517 11368.91       
719.3619 10809.43       493.5124 232.2363 7.377996 226.6885 5.185488 5.547791 
9.017988 
1 1 1 4   -2  16 f 245.1941 3.576912  12520.61       340.7412 12314.80       
408.7773 12989.19       616.8090 242.0306 4.022884 248.3576 5.915538 -6.326996 
7.153823 
1 1 1 4   -2  17 o 252.6361 8.277893  13625.51       872.2866 13381.10       
1303.398 13823.78       1173.933 250.3494 12.40086 254.9227 10.96872 -4.573288 
16.55579 
1 1 1 4   -2  18 o 201.2631 5.811772  8701.633       438.7274 8314.385       
824.9777 8854.342       518.0595 197.6642 9.941117 204.8620 6.023367 -7.197769 
11.62354 
1 1 1 4   -2  19 o 29.20063 5.667979  157.5331       68.08952 277.7262       
126.8407 108.8762       80.70325 35.44127 8.599738 22.96000 7.385693 12.48127 
11.33596 
1 1 1 4   -2  20 o 79.83736 4.464207  1343.851       149.6337 0.000000       
0.000000 1343.851       149.6337 ?        ?        79.83736 4.464207 ? ? 
1 1 1 4   -2  21 o 129.4161 4.472036  3569.764       240.0257 3432.708       
365.1899 3674.002       318.4794 127.1044 6.843514 131.7278 5.758709 -4.623352 
8.944072 
1 1 1 4   -2  22 o 114.2115 3.993498  2806.688       170.9228 2661.901       
321.2556 2863.856       201.8657 111.8927 6.838641 116.5303 4.126148 -4.637535 
7.986997 
1 1 1 4   -2  23 o 200.4437 5.348768  8496.194       429.7898 8796.286       
730.1082 8337.059       531.6703 202.6922 8.579681 198.1953 6.389550 4.496979 
10.69754 
1 1 1 4   -2  24 o 92.19313 3.678840  1736.466       132.5013 1968.015       
241.9083 1637.225       158.3707 96.31282 5.982569 88.07344 4.283027 8.239380 
7.357680 
1 1 1 4   -2  25 o 80.88316 3.946496  1367.457       115.0203 1433.246       
235.3282 1346.808       131.8412 81.90200 6.843849 79.86432 3.932054 2.037682 
7.892992 
1 1 1 4   -2  26 o 137.6374 4.689961  3913.398       226.4352 4342.794       
487.1691 3795.069       255.7385 141.5010 8.200520 133.7738 4.553506 7.727127 
9.379922 
1 1 1 4   -2  27 o 23.65540 5.910869  110.7420       78.47450 -66.80447      
161.7392 165.4072       89.74588 20.12730 9.070566 27.18350 7.581444 -7.056200 
11.82174 
1 1 1 4   -2  28 o 47.80539 5.315698  500.7722       90.15397 520.9539       
178.9187 493.9043       104.3724 47.59330 9.285562 48.01748 5.177347 
-0.4241791     10.63140 
1 1 1 4   -2  29 o 45.94802 5.790100  541.3667       93.34411 351.8782       
173.2625 618.8555       110.7982 38.23703 10.48388 53.65902 4.918254 -15.42199 
11.58020 
1 1 1 4   -2  30 o 80.31300 3.871268  1487.026       119.2755 1170.905       
202.3476 1655.352       147.6549 72.70427 6.629172 87.92172 4.000117 -15.21745 
7.742536 
1 1 1 4   -2  31 o 32.56964 6.833614  232.3676       89.80951 343.2284       
180.7931 196.0491       103.4800 36.51038 10.94012 28.62889 8.191874 7.881487 
13.66723 
1 1 1 4   -2  32 o 52.57646 4.728089  530.5222       90.94122 858.2248       
195.9071 440.5101       102.6740 60.60609 7.699367 44.54683 5.489906 16.05926 
9.456179 
1 1 1 4   -2  33 o 42.05730 5.992057  416.4425       95.42240 516.3249       
175.4019 374.4547       113.7238 44.52332 9.655088 39.59129 7.099173 4.932030 
11.98411 
1 1 1 4   -2  34 o 45.48816 6.269802  635.0946       100.1413 340.5666       
198.3209 735.8903       116.0182 33.55583 11.57931 57.42049 4.812606 -23.86466 
12.53960 
1 1 1 4   -2  35 o 22.37254 6.481040  110.0977       89.42857 123.6743       
175.0405 105.3021       104.0304 23.53321 10.03725 21.21187 8.201778 2.321342 
12.96208 
1 1 1 4   -2  36 o 32.52534 7.210943  336.1169       102.4279 366.9669       
220.5090 327.6291       115.6633 30.60134 11.91852 34.44934 8.120326 -3.847994 
14.42189 
1 1 1 4   -1  0  o 377.3794 4.096273  29948.22       648.9338 29817.68       
923.2839 30075.66       912.2770 376.5614 5.840104 378.1974 5.745519 -1.635986 
8.192546 
1 1 1 4   -1  1  o 314.1353 6.305516  20802.12       830.3024 20860.31       
1143.595 20737.26       1207.455 314.6363 8.657339 313.6343 9.169985 1.002014 
12.61103 
1 1 1 4   -1  2  o 319.9982 4.507281  20802.48       477.0678 20362.81       
528.1482 22751.30       1111.934 311.3250 4.040759 328.6714 8.058201 -17.34650 
9.014563 
1 1 1 4   -1  3  o 73.64218 2.088574  1143.701       64.27125 1204.394       
88.28990 1075.283       93.74141 75.73114 2.776883 71.55322 3.120494 4.177917 
4.177147 
1 1 1 4   -1  4  o 70.90952 2.297821  1028.836       67.40154 901.9612       
86.72859 1222.327       107.1040 65.53292 3.152273 76.28612 3.344114 -10.75320 
4.595642 
1 1 1 4   -1  5  o 132.6537 2.717014  3674.113       132.9260 3744.012       
261.3282 3649.716       154.3910 133.4761 4.663414 131.8314 2.789486 1.644684 
5.434028 
1 1 1 4   -1  6  o 168.0330 3.792636  5927.879       267.3457 5741.886       
369.2308 6132.846       387.6059 165.2680 5.321452 170.7979 5.405414 -5.529892 
7.585272 
1 1 1 4   -1  7  o 89.37697 2.354841  1679.872       88.11522 1707.496       
120.7579 1648.416       128.8642 90.16584 3.190028 88.58809 3.464800 1.577751 
4.709683 
1 1 1 4   -1  8  o 271.1938 4.936628  15507.88       559.2178 15802.82       
757.8555 15155.33       828.5746 274.0676 6.586426 268.3202 7.355283 5.747406 
9.873257 
1 1 1 4   -1  9  o 216.5361 3.868848  9943.947       283.8832 10004.60       
318.8746 9712.203       623.3150 218.2421 3.480186 214.8302 6.910879 3.411896 
7.737696 
1 1 1 4   -1  10 o 236.0286 4.597389  11800.10       446.1220 12137.57       
579.8470 11310.56       698.3830 240.2495 5.748730 231.8076 7.176075 8.441925 
9.194778 
1 1 1 4   -1  11 o 191.7214 3.315335  7681.975       260.0574 7537.759       
330.9245 7914.855       420.5220 189.4058 4.161565 194.0369 5.162089 -4.631073 
6.630670 
1 1 1 4   -1  12 o 446.2709 8.130774  41603.71       1441.377 43694.99       
2506.073 40569.93       1761.976 454.0452 13.14667 438.4966 9.570946 15.54855 
16.26155 
1 1 1 4   -1  13 o 107.1571 2.201487  2214.628       88.03608 2850.041       
178.4343 2010.187       101.2126 116.4744 3.648959 97.83988 2.463995 18.63451 
4.402973 
1 1 1 4   -1  14 o 295.5898 5.198064  18326.96       622.3782 18695.47       
1029.927 18114.98       781.1345 297.7917 8.237870 293.3879 6.341685 4.403809 
10.39613 
1 1 1 4   -1  15 o 374.0002 4.602959  29559.20       701.1111 29908.75       
892.2324 28994.94       1133.589 377.0409 5.636514 370.9594 7.278641 6.081482 
9.205917 
1 1 1 4   -1  16 o 252.0585 5.509447  13075.00       564.2258 12184.55       
703.3757 14682.13       944.9473 240.4427 6.967819 263.6742 8.536130 -23.23154 
11.01889 
1 1 1 4   -1  17 o 29.98969 9.317237  189.5026       129.5517 189.5026       
129.5517 0.000000       0.000000 29.98969 9.317237 ?        ?        ? ? 
1 1 1 4   -1  18 o 26.63109 5.711645  145.2836       66.04153 168.5670       
116.4312 134.2392       80.18937 28.30458 8.840710 24.95759 7.234183 3.346992 
11.42329 
1 1 1 4   -1  19 o 122.7518 3.589854  3131.532       179.5501 3355.075       
295.9528 3001.332       225.8656 126.1183 5.589401 119.3852 4.506307 6.733147 
7.179708 
1 1 1 4   -1  20 o 136.4076 3.869004  3910.520       206.0277 3978.537       
367.7986 3879.418       248.7112 137.1239 6.388780 135.6913 4.365806 1.432602 
7.738008 
1 1 1 4   -1  21 o 93.18011 3.552494  1840.544       130.1813 1813.866       
227.3512 1853.557       158.7896 92.57587 5.849524 93.78436 4.032856 -1.208496 
7.104988 
1 1 1 4   -1  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   -1  23 o 217.5662 6.718838  10109.90       595.8457 10465.35       
972.7743 9896.468       753.8023 220.0156 10.53125 215.1168 8.346497 4.898758 
13.43768 
1 1 1 4   -1  24 o 203.5328 5.505685  8604.420       444.4094 9571.306       
784.3171 8147.201       539.3452 211.2340 8.844006 195.8316 6.560019 15.40239 
11.01137 
1 1 1 4   -1  25 o 89.48900 4.006088  1622.643       125.5228 1840.153       
272.6545 1564.145       141.3982 92.87605 6.992461 86.10195 3.911579 6.774101 
8.012176 
1 1 1 4   -1  26 o 149.9398 5.416096  4524.069       253.0517 5333.041       
644.1022 4376.413       275.1783 156.1402 9.825646 143.7395 4.559941 12.40073 
10.83219 
1 1 1 4   -1  27 o 70.08241 4.112523  1029.438       105.6090 1093.716       
211.1942 1008.005       121.9514 71.20634 7.064547 68.95847 4.212308 2.247864 
8.225045 
1 1 1 4   -1  28 o 76.52844 4.151162  1263.223       115.7789 1247.724       
229.0039 1268.544       134.1925 75.76920 7.198983 77.28768 4.135605 -1.518478 
8.302324 
1 1 1 4   -1  29 o 46.15942 5.032812  497.9307       85.13273 411.5217       
150.5799 538.5263       103.2112 42.19312 8.789966 50.12573 4.904414 -7.932613 
10.06562 
1 1 1 4   -1  30 o 61.53318 3.999029  784.7800       97.31964 940.7899       
174.9487 714.8712       117.1118 65.46661 6.365197 57.59975 4.842850 7.866863 
7.998058 
1 1 1 4   -1  31 o 74.51019 3.717492  1129.055       105.8523 1416.165       
204.5140 1023.997       123.7119 80.06327 6.084301 68.95712 4.273203 11.10616 
7.434984 
1 1 1 4   -1  32 o 24.64421 6.422000  124.1332       80.48569 153.1788       
154.6716 113.3478       94.25172 26.56971 10.07308 22.71872 7.968774 3.850996 
12.84400 
1 1 1 4   -1  33 o 30.47072 6.144621  262.1835       99.95300 -13.75027      
189.6523 368.3044       117.6132 21.71590 9.802360 39.22554 7.412101 -17.50964 
12.28924 
1 1 1 4   -1  34 o 31.82627 6.806866  284.8365       97.66991 204.9718       
194.9220 311.6106       112.8603 28.25887 11.15425 35.39367 7.804889 -7.134798 
13.61373 
1 1 1 4   -1  35 o 31.04410 6.235164  301.3205       98.43247 66.22699       
197.3801 379.1413       113.5614 22.95937 10.19526 39.12883 7.180935 -16.16947 
12.47033 
1 1 1 4   -1  36 o 17.40119 5.869607  -57.07673      95.91235 -12.64149      
210.2992 -68.74693      107.7738 20.40685 9.579880 14.39554 6.784913 6.011307 
11.73921 
1 1 1 4   0   0  o 525.0245 8.804416  58326.50       1926.790 58370.71       
2576.359 58270.39       2902.486 525.4977 11.67768 524.5513 13.17963 0.9464722 
17.60883 
1 1 1 4   0   1  o 144.8554 3.079469  4409.102       187.2738 4439.312       
264.5232 4378.744       265.1683 145.3536 4.334700 144.3573 4.375260 0.9962616 
6.158939 
1 1 1 4   0   2  o 491.5503 7.416142  51420.66       1278.575 50242.61       
2675.333 51769.37       1455.561 487.1111 13.08190 495.9895 6.990027 -8.878418 
14.83228 
1 1 1 4   0   3  o 157.2732 2.880152  5144.857       168.5094 5086.106       
196.4487 5308.466       327.8266 155.6210 3.006782 158.9254 4.913284 -3.304352 
5.760304 
1 1 1 4   0   4  o 104.7120 2.616551  2305.869       114.6534 2269.303       
168.3714 2337.486       156.5609 103.9339 3.858623 105.4902 3.535025 -1.556252 
5.233103 
1 1 1 4   0   5  o 207.2555 3.370089  9147.249       275.3215 9388.408       
338.1961 8673.354       474.0867 211.4029 3.810472 203.1081 5.559703 8.294769 
6.740178 
1 1 1 4   0   6  o 171.7763 3.425439  6214.334       237.4505 6154.601       
393.6076 6248.511       297.7289 171.0972 5.479508 172.4553 4.112118 -1.358047 
6.850877 
1 1 1 4   0   7  o 95.88490 2.720605  1918.276       108.8005 2041.577       
165.4539 1824.336       144.4170 98.57822 3.997765 93.19159 3.691158 5.386627 
5.441210 
1 1 1 4   0   8  o 202.4863 3.428457  8513.000       224.9603 8454.229       
248.3403 8781.779       531.0837 200.6391 2.948171 204.3336 6.190765 -3.694458 
6.856915 
1 1 1 4   0   9  o 87.76047 2.713658  1615.538       99.72900 1585.374       
135.7094 1650.953       147.0482 86.87321 3.720875 88.64772 3.951057 -1.774513 
5.427317 
1 1 1 4   0   10 o 394.5431 7.172760  32974.93       1170.668 32109.40       
1804.697 33603.72       1538.201 389.8647 11.02583 399.2214 9.177416 -9.356659 
14.34552 
1 1 1 4   0   11 o 63.71224 2.659933  851.9605       71.01754 781.9030       
98.85863 926.6686       102.0871 61.00698 3.859723 66.41750 3.661081 -5.410526 
5.319867 
1 1 1 4   0   12 o 324.8219 5.202563  21873.29       669.5818 23236.15       
1173.693 21215.72       815.2673 332.0590 8.418994 317.5847 6.114506 14.47424 
10.40513 
1 1 1 4   0   13 f 248.0408 4.588217  13095.13       443.2385 12542.30       
782.8311 13355.98       537.7358 244.0280 7.640985 252.0536 5.081562 -8.025528 
9.176434 
1 1 1 4   0   14 o 146.8706 3.046468  4538.306       166.0038 4522.459       
321.5355 4544.065       193.8353 146.6565 5.222141 147.0846 3.138967 
-0.4280396     6.092936 
1 1 1 4   0   15 o 345.6414 4.069348  25120.49       587.4885 25262.02       
877.4550 25005.49       790.9333 346.4859 6.031987 344.7968 5.463836 1.689087 
8.138696 
1 1 1 4   0   16 o 146.0863 3.681807  4518.125       214.8134 4393.876       
362.5797 4585.326       266.6498 144.4810 5.977422 147.6916 4.300378 -3.210602 
7.363615 
1 1 1 4   0   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   0   18 o 128.1989 3.342665  3518.122       176.8099 2929.312       
259.1020 4031.257       241.8794 117.9515 5.232251 138.4463 4.161392 -20.49481 
6.685329 
1 1 1 4   0   19 o 91.62746 3.086897  1786.512       115.4215 1679.786       
183.4647 1856.424       148.4889 89.30671 4.893160 93.94821 3.764667 -4.641502 
6.173794 
1 1 1 4   0   20 o 114.3402 3.353445  2811.282       154.6976 2537.485       
249.7788 2981.658       197.0358 109.6625 5.425237 119.0179 3.943245 -9.355476 
6.706890 
1 1 1 4   0   21 o 124.3868 3.439436  3119.812       138.7702 3497.344       
333.4435 3040.726       152.6145 128.5390 6.178858 120.2346 3.023343 8.304428 
6.878872 
1 1 1 4   0   22 o 91.34033 3.928029  1677.250       125.9643 1929.417       
273.5658 1609.402       141.9022 95.29090 6.838037 87.38977 3.867671 7.901131 
7.856057 
1 1 1 4   0   23 o 23.31625 7.836906  109.0125       90.71007 0.000000       
0.000000 109.0125       90.71007 ?        ?        23.31625 7.836906 ? ? 
1 1 1 4   0   24 o 178.5033 5.432084  6706.886       361.0182 6990.442       
701.4668 6604.716       421.0648 180.3983 9.261805 176.6083 5.678831 3.790039 
10.86417 
1 1 1 4   0   25 o 105.6251 3.684925  2235.302       137.6035 2598.826       
296.5862 2135.586       155.3338 110.5907 6.387831 100.6594 3.675635 9.931229 
7.369849 
1 1 1 4   0   26 o 69.99508 3.967198  841.7018       97.12225 1440.017       
227.1481 707.8480       107.4384 82.13921 6.586877 57.85095 4.423540 24.28827 
7.934397 
1 1 1 4   0   27 o 111.9534 3.482207  2375.773       139.1769 3233.724       
305.0033 2150.150       156.4103 123.0446 5.904227 100.8623 3.693665 22.18232 
6.964414 
1 1 1 4   0   28 o 30.49348 6.259940  200.6708       78.26144 226.9931       
149.8897 190.8055       91.76267 31.88599 10.04518 29.10097 7.472735 2.785021 
12.51988 
1 1 1 4   0   29 o 91.21304 3.502583  1813.156       123.6147 1690.074       
218.7302 1870.916       149.8377 88.54505 5.883904 93.88104 3.801582 -5.335991 
7.005166 
1 1 1 4   0   30 o 65.45734 3.991873  908.1254       101.3600 981.8386       
185.1610 876.5845       121.1193 66.94485 6.587998 63.96981 4.509821 2.975044 
7.983746 
1 1 1 4   0   31 o 37.55978 5.870819  310.9159       84.92559 401.2334       
154.0546 271.4859       101.7893 40.88338 9.198175 34.23617 7.297918 6.647205 
11.74164 
1 1 1 4   0   32 o 27.71489 6.854282  178.4113       92.78732 149.2326       
182.3113 188.6116       107.7924 27.35734 10.79089 28.07244 8.454669 
-0.7150974     13.70856 
1 1 1 4   0   33 o 45.22952 5.599117  500.7062       91.76043 452.3910       
170.5923 520.3764       108.8482 41.99598 9.837729 48.46305 5.349725 -6.467068 
11.19823 
1 1 1 4   0   34 o 34.99491 6.525858  300.6067       89.30755 364.2423       
172.3481 277.2476       104.4202 36.35251 10.62772 33.63730 7.576196 2.715210 
13.05172 
1 1 1 4   0   35 o 20.23972 6.205084  48.70952       88.71629 -25.60160      
192.1704 68.83663       100.0116 20.82473 9.565274 19.65472 7.906820 1.170006 
12.41017 
1 1 1 4   0   36 o 58.10223 6.272854  929.9256       121.6700 836.6005       
240.9525 961.8655       140.9610 51.64733 11.41691 64.55713 5.200869 -12.90980 
12.54571 
1 1 1 4   1   0  o 190.5356 3.016861  7690.572       232.5378 7871.378       
293.9393 7388.129       380.1649 193.5782 3.616782 187.4930 4.829565 6.085175 
6.033723 
1 1 1 4   1   1  o 351.4054 3.831642  25368.73       470.2191 24910.68       
531.0000 27032.99       1012.154 344.3652 3.672792 358.4455 6.725811 -14.08026 
7.663285 
1 1 1 4   1   2  o 180.1657 3.243733  6793.548       244.1044 7082.936       
367.1755 6564.336       326.7769 183.5826 4.763907 176.7489 4.403679 6.833694 
6.487465 
1 1 1 4   1   3  o 154.3635 3.146729  5015.356       203.5740 5291.404       
285.6369 4730.393       290.2119 158.6931 4.287236 150.0340 4.607302 8.659073 
6.293459 
1 1 1 4   1   4  o 466.7504 9.195533  46113.11       1801.305 46573.57       
2587.110 45679.84       2509.522 468.9696 13.13988 464.5311 12.86759 4.438446 
18.39107 
1 1 1 4   1   5  o 459.1526 8.915286  44619.58       1690.030 44647.91       
2199.814 44578.78       2640.103 459.6672 11.39892 458.6379 13.71109 1.029297 
17.83057 
1 1 1 4   1   6  f 535.8835 9.254581  61001.17       1811.253 61203.23       
2099.113 60412.24       3583.567 538.7798 9.279946 532.9873 16.01473 5.792542 
18.50916 
1 1 1 4   1   7  o 206.9356 4.590953  8983.715       397.2379 9272.451       
592.8308 8748.436       535.1459 209.9286 6.726362 203.9426 6.250077 5.985992 
9.181907 
1 1 1 4   1   8  o 121.5592 2.379636  3015.003       116.2537 3404.751       
200.1525 2816.578       142.8129 127.3099 3.744724 115.8085 2.937297 11.50142 
4.759273 
1 1 1 4   1   9  o 125.2945 2.552289  3302.968       133.6035 3354.728       
181.0331 3241.055       197.9915 126.3787 3.411968 124.2103 3.796734 2.168449 
5.104578 
1 1 1 4   1   10 o 298.0886 6.282560  18679.14       779.0850 18368.92       
1030.438 19093.14       1190.372 295.2830 8.311979 300.8942 9.423017 -5.611176 
12.56512 
1 1 1 4   1   11 o 153.9307 2.580829  4928.661       133.2845 5058.785       
300.3496 4896.753       148.7312 155.1512 4.610978 152.7102 2.319826 2.441010 
5.161658 
1 1 1 4   1   12 o 277.4021 4.934249  16193.92       548.2291 16203.36       
926.4278 16188.83       680.0927 277.3551 7.956032 277.4491 5.838561 
-0.9405518E-01 9.868498 
1 1 1 4   1   13 o 101.2930 2.362996  2189.982       91.11756 2071.929       
167.0161 2240.009       108.7230 99.30422 4.006008 103.2818 2.507371 -3.977592 
4.725993 
1 1 1 4   1   14 o 366.7449 5.592135  28022.32       696.6536 28880.41       
1544.525 27803.16       780.5642 369.8368 9.947317 363.6530 5.112608 6.183777 
11.18427 
1 1 1 4   1   15 o 348.0380 3.802451  25475.82       531.4279 25479.97       
661.3332 25468.27       892.8421 348.1711 4.524271 347.9048 6.112732 0.2663879 
7.604901 
1 1 1 4   1   16 o 575.9520 11.62649  71459.26       2597.895 69647.48       
4631.298 72291.08       3138.105 568.4568 19.40557 583.4473 12.81112 -14.99042 
23.25297 
1 1 1 4   1   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   1   18 o 203.3291 3.867779  8638.138       324.7046 9062.504       
512.9158 8354.329       419.4576 207.4158 5.890136 199.2424 5.014496 8.173386 
7.735559 
1 1 1 4   1   19 o 117.4767 3.506867  2909.664       160.3930 2896.013       
286.2921 2915.908       193.6345 117.2077 5.818009 117.7457 3.917046 
-0.5380173     7.013735 
1 1 1 4   1   20 o 83.72041 3.143956  1441.354       95.32792 1544.674       
194.9025 1408.866       109.2929 85.58248 5.424423 81.85835 3.180167 3.724136 
6.287911 
1 1 1 4   1   21 o 127.2870 3.496019  3468.816       169.4323 3294.745       
310.5765 3542.574       202.1662 124.8446 5.925431 129.7295 3.711855 -4.884857 
6.992038 
1 1 1 4   1   22 o 60.99991 3.355140  766.0973       76.44750 827.9017       
149.2794 744.1266       89.00423 62.55370 5.684183 59.44612 3.566221 3.107582 
6.710280 
1 1 1 4   1   23 o 43.75616 5.090511  455.8902       73.44039 344.9075       
151.1847 490.1669       84.01936 39.30382 9.296263 48.20850 4.151231 -8.904675 
10.18102 
1 1 1 4   1   24 o 154.4762 5.008575  5116.108       245.9108 5015.459       
585.5649 5137.661       270.9627 152.8677 9.123898 156.0847 4.134948 -3.217041 
10.01715 
1 1 1 4   1   25 o 66.12888 7.088986  931.0283       196.8132 931.0283       
196.8132 0.000000       0.000000 66.12888 7.088986 ?        ?        ? ? 
1 1 1 4   1   26 o 142.2224 4.803030  4122.956       234.9611 4654.244       
522.0522 3987.999       263.1166 147.1033 8.453032 137.3415 4.563180 9.761826 
9.606059 
1 1 1 4   1   27 o 80.41462 3.619475  1278.245       106.8616 1574.524       
220.2681 1187.047       122.2065 85.88560 6.108751 74.94364 3.884013 10.94196 
7.238950 
1 1 1 4   1   28 o 36.76830 5.572823  233.6646       82.28175 520.6082       
157.9245 126.7462       96.40005 48.98998 7.678267 24.54661 8.078961 24.44337 
11.14565 
1 1 1 4   1   29 o 132.6677 4.139036  3773.229       206.4697 3807.191       
391.2870 3760.125       243.0626 132.3826 7.040206 132.9528 4.354535 
-0.5701447     8.278071 
1 1 1 4   1   30 o 166.4415 4.137199  5953.659       277.7745 6148.991       
464.5282 5844.939       346.5607 167.8783 6.590806 165.0047 5.002695 2.873581 
8.274399 
1 1 1 4   1   31 o 29.74818 6.404052  191.9685       78.90134 244.4658       
156.1752 173.9771       91.42723 32.07402 10.26996 27.42234 7.653461 4.651678 
12.80810 
1 1 1 4   1   32 o 117.7181 4.039160  2985.557       171.4568 3171.886       
349.3970 2926.455       196.7791 118.7325 7.009234 116.7036 4.016203 2.028885 
8.078321 
1 1 1 4   1   33 o 74.19215 3.951163  1173.906       110.9336 1331.066       
213.0978 1115.483       129.9270 76.67500 6.619821 71.70930 4.315636 4.965698 
7.902325 
1 1 1 4   1   34 o 38.85463 6.181850  426.2319       99.96849 225.0759       
174.2939 524.8498       122.0376 29.56584 10.78917 48.14342 6.037785 -18.57759 
12.36370 
1 1 1 4   1   35 o 37.14681 7.075696  358.5567       103.0680 424.7809       
203.5082 335.7102       119.5317 37.73150 11.66867 36.56213 8.006502 1.169376 
14.15139 
1 1 1 4   1   36 o 29.07623 7.401777  259.7785       118.2457 131.5906       
257.7526 293.9479       133.0754 25.71028 11.52413 32.44218 9.291920 -6.731903 
14.80355 
1 1 1 4   1   37 f 25.43993 7.737414  147.3858       116.9532 392.0580       
282.7690 96.89357       128.4552 29.96282 12.76778 20.91705 8.743802 9.045771 
15.47483 
1 1 1 4   2   0  o 304.8107 3.487290  19290.52       416.2434 18884.94       
502.1592 20181.08       744.1078 299.8178 3.989377 309.8035 5.720983 -9.985626 
6.974581 
1 1 1 4   2   1  o 133.7925 2.709781  3769.673       151.4990 3866.830       
206.1118 3655.494       223.4396 135.6777 3.618391 131.9073 4.034711 3.770401 
5.419561 
1 1 1 4   2   2  o 218.3703 3.046751  10043.12       278.6169 9331.453       
397.2720 10731.97       390.8539 210.7305 4.490365 226.0101 4.119151 -15.27960 
6.093503 
1 1 1 4   2   3  o 216.2970 3.641541  9717.847       264.1740 10028.27       
596.2563 9642.029       294.6743 218.3339 6.504783 214.2600 3.275836 4.073883 
7.283083 
1 1 1 4   2   4  o 182.0784 3.088751  6972.439       205.3605 6979.007       
237.7171 6953.120       407.7141 182.2912 3.106103 181.8655 5.339817 0.4256744 
6.177501 
1 1 1 4   2   5  f 204.3140 3.444840  8426.809       240.4751 8190.729       
268.7049 9376.582       538.9598 197.4789 3.240977 211.1492 6.079783 -13.67030 
6.889680 
1 1 1 4   2   6  o 312.7336 5.411067  20724.71       652.5944 20932.98       
783.4686 20252.78       1179.373 315.5035 5.914778 309.9636 9.062780 5.539886 
10.82213 
1 1 1 4   2   7  o 213.2836 3.767452  9132.748       206.5577 10118.59       
654.3044 9023.624       217.6899 219.2685 7.107627 207.2988 2.501282 11.96977 
7.534904 
1 1 1 4   2   8  o 101.7524 2.488585  2202.773       104.2300 2015.271       
160.2280 2340.324       137.2355 97.94305 3.896601 105.5618 3.096567 -7.618797 
4.977170 
1 1 1 4   2   9  o 242.9774 4.854307  12422.92       495.0608 12432.64       
708.3889 12413.65       692.1373 243.0636 6.941813 242.8911 6.787372 0.1724701 
9.708613 
1 1 1 4   2   10 o 50.69128 2.156325  544.6524       43.92640 522.0991       
72.87973 557.5200       55.04911 49.85580 3.481867 51.52677 2.544711 -1.670975 
4.312650 
1 1 1 4   2   11 o 143.5918 3.049909  4233.899       163.2717 4546.790       
319.5396 4123.348       189.9380 147.0696 5.175147 140.1141 3.228874 6.955566 
6.099818 
1 1 1 4   2   12 o 247.6035 4.307168  12836.21       332.7348 12983.30       
819.9421 12807.21       364.0582 248.2850 7.865998 246.9219 3.511819 1.363037 
8.614337 
1 1 1 4   2   13 f 536.5081 5.473002  60749.69       1221.377 59653.68       
1848.679 61598.64       1627.045 532.0783 8.275745 540.9378 7.164291 -8.859497 
10.94600 
1 1 1 4   2   14 o 209.4311 3.895353  9218.984       330.0771 9240.079       
545.4346 9206.795       414.6171 209.5712 6.199149 209.2910 4.718650 0.2802582 
7.790706 
1 1 1 4   2   15 o 132.3700 2.589504  3684.841       141.3377 3661.644       
221.4734 3700.779       183.5805 132.0078 3.996163 132.7323 3.294360 
-0.7245026     5.179008 
1 1 1 4   2   16 o 84.53763 3.094595  1415.426       99.28085 1706.000       
193.3289 1311.350       115.7026 90.07005 5.112549 79.00520 3.488256 11.06485 
6.189191 
1 1 1 4   2   17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   2   18 f 25.67628 5.883650  116.1672       68.68107 194.4386       
125.3358 82.57778       82.10590 30.20989 9.120438 21.14268 7.435520 9.067217 
11.76730 
1 1 1 4   2   19 o 225.0254 5.410681  10896.20       442.7925 10306.50       
871.4893 11101.40       514.0945 220.4594 9.415738 229.5913 5.333456 -9.131836 
10.82136 
1 1 1 4   2   20 f 134.9394 3.700611  3791.681       172.5204 3918.590       
373.9937 3757.377       194.4443 136.2068 6.540135 133.6720 3.464781 2.534744 
7.401221 
1 1 1 4   2   21 o 127.8482 3.248077  3421.194       155.0379 3495.237       
299.0385 3393.976       181.3085 128.6766 5.535395 127.0197 3.399916 1.656937 
6.496155 
1 1 1 4   2   22 o 206.9828 4.126532  8352.021       195.4459 9949.029       
715.3653 8223.196       203.1760 216.1777 7.882028 197.7878 2.446774 18.38991 
8.253064 
1 1 1 4   2   23 o 175.4030 4.487211  6525.799       297.3627 6532.271       
559.2147 6523.247       351.1186 175.0551 7.608954 175.7510 4.758577 
-0.6959229     8.974422 
1 1 1 4   2   24 o 30.16179 5.479879  230.5108       68.80740 66.65742       
148.6926 275.1586       77.61788 24.24714 9.687872 36.07644 5.124590 -11.82930 
10.95976 
1 1 1 4   2   25 f 105.2281 3.878712  2274.684       156.3297 2512.253       
294.1625 2181.179       184.5477 108.7814 6.441006 101.6747 4.323316 7.106735 
7.757423 
1 1 1 4   2   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   2   27 o 77.91161 3.536608  1328.247       110.7233 1123.830       
176.4189 1461.097       142.2222 72.67536 5.782011 83.14787 4.074154 -10.47250 
7.073215 
1 1 1 4   2   28 o 155.3480 4.749900  5119.581       284.4612 5355.878       
521.8033 5019.660       339.3156 157.1722 7.907734 153.5238 5.264403 3.648438 
9.499800 
1 1 1 4   2   29 o 37.70257 5.868400  295.4697       84.56012 404.8970       
156.7766 250.5748       100.4192 42.05528 9.135180 33.34985 7.368917 8.705429 
11.73680 
1 1 1 4   2   30 o 73.70683 3.970153  1216.263       112.9368 1041.675       
195.4703 1303.747       138.3690 69.17184 6.730888 78.24183 4.212317 -9.069984 
7.940307 
1 1 1 4   2   31 o 50.52226 5.885869  661.8661       98.25405 437.8715       
193.1082 740.1097       114.1317 42.33134 10.82293 58.71318 4.630115 -16.38184 
11.77174 
1 1 1 4   2   32 o 44.27800 5.693099  415.0616       88.15513 534.6592       
187.7118 381.2203       99.85139 46.84136 9.855898 41.71463 5.701469 5.126728 
11.38620 
1 1 1 4   2   33 o 40.77206 5.905809  424.5257       86.13765 333.0550       
170.7513 455.7493       99.76176 35.96671 10.59872 45.57741 5.213574 -9.610699 
11.81162 
1 1 1 4   2   34 o 29.16518 6.635622  208.3006       85.75569 216.1714       
168.8420 205.5643       99.55233 29.35426 10.62818 28.97611 7.947810 0.3781528 
13.27124 
1 1 1 4   2   35 o 25.86591 6.386434  174.1150       91.44423 -2.387983      
194.5481 224.1685       103.6021 21.87745 9.898834 29.85438 8.072127 -7.976929 
12.77287 
1 1 1 4   2   36 o 43.61622 6.686863  632.4910       117.2802 274.1388       
236.4504 749.4193       135.0655 30.06762 12.13197 57.16482 5.627776 -27.09719 
13.37373 
1 1 1 4   2   37 o 22.14998 6.418760  107.4878       108.9235 -232.8450      
245.2559 191.1105       121.5709 18.49491 9.104538 25.80505 9.050376 -7.310146 
12.83752 
1 1 1 4   3   0  o 237.4072 3.796252  11805.72       371.9832 11619.53       
481.8621 12080.31       585.1934 235.1292 4.881320 239.6852 5.815396 -4.555923 
7.592504 
1 1 1 4   3   1  o 105.7078 2.149735  2347.318       95.29110 2334.879       
137.9855 2358.660       131.7543 105.4388 3.117126 105.9769 2.961246 
-0.5381470     4.299470 
1 1 1 4   3   2  o 149.8215 2.665286  4734.045       159.6006 4653.747       
269.7584 4777.290       197.9665 148.8233 4.317427 150.8198 3.126472 -1.996460 
5.330573 
1 1 1 4   3   3  o 376.7085 4.881714  29408.31       593.1280 29158.01       
653.6893 30574.47       1410.979 372.5301 4.179564 380.8869 8.823592 -8.356812 
9.763429 
1 1 1 4   3   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   3   5  o 306.5744 5.401941  19976.72       676.1403 18943.65       
1076.008 20650.82       869.1778 299.8478 8.547435 313.3010 6.607967 -13.45316 
10.80388 
1 1 1 4   3   6  o 52.46282 2.458573  577.7897       54.11742 607.6345       
77.46912 549.3442       75.63116 53.78567 3.430703 51.13998 3.522584 2.645691 
4.917146 
1 1 1 4   3   7  o 145.2388 2.448616  4443.777       148.8647 4688.174       
206.7432 4180.635       214.5252 149.4022 3.296062 141.0754 3.621996 8.326782 
4.897232 
1 1 1 4   3   8  o 203.1303 4.227097  8660.949       359.4223 8474.865       
487.5770 8882.410       531.9117 200.7570 5.784870 205.5035 6.165116 -4.746552 
8.454193 
1 1 1 4   3   9  f 141.6501 2.723379  4120.183       138.5073 4398.998       
286.7004 4035.297       158.1927 144.6785 4.720035 138.6216 2.718169 6.056931 
5.446758 
1 1 1 4   3   10 o 349.6815 5.962537  25625.15       772.6028 26055.55       
1506.239 25471.48       900.0210 351.3648 10.21073 347.9982 6.160226 3.366577 
11.92507 
1 1 1 4   3   11 o 32.97134 3.127949  205.7547       40.64498 299.6483       
75.11446 166.8807       48.33201 37.75955 4.738248 28.18314 4.084761 9.576416 
6.255898 
1 1 1 4   3   12 o 83.11203 1.890422  1484.831       63.19195 1322.141       
102.3805 1584.955       80.31660 79.34240 3.073499 86.88165 2.201904 -7.539253 
3.780843 
1 1 1 4   3   13 o 148.4961 2.174195  4596.537       134.3237 4388.985       
176.7688 4880.143       206.6330 144.5629 2.912524 152.4292 3.228884 -7.866257 
4.348390 
1 1 1 4   3   14 o 368.9594 3.794661  28593.21       521.4290 28688.01       
1005.542 28558.35       609.8268 369.2380 6.486567 368.6806 3.939828 0.5574036 
7.589321 
1 1 1 4   3   15 o 285.3113 5.112800  17249.15       566.6098 16856.84       
1010.889 17428.86       684.1875 282.7571 8.515514 287.8654 5.661176 -5.108368 
10.22560 
1 1 1 4   3   16 o 187.4805 3.666581  7414.434       287.1928 6566.280       
405.8487 8265.126       406.4560 176.6891 5.471110 198.2720 4.882849 -21.58286 
7.333162 
1 1 1 4   3   17 o 284.4116 8.167686  17064.48       975.2709 0.000000       
0.000000 17064.48       975.2709 ?        ?        284.4116 8.167686 ? ? 
1 1 1 4   3   18 o 197.2730 3.121805  8267.851       246.7704 7893.869       
411.5430 8477.805       308.3539 193.7008 5.060634 200.8453 3.656864 -7.144531 
6.243611 
1 1 1 4   3   19 o 199.3381 4.046839  8607.490       298.2327 7865.064       
567.4718 8890.797       350.5464 193.0578 7.001289 205.6184 4.060736 -12.56059 
8.093678 
1 1 1 4   3   20 o 90.89069 3.199665  1668.366       100.6880 1865.188       
221.7667 1617.258       113.0072 94.06301 5.615630 87.71838 3.068573 6.344635 
6.399331 
1 1 1 4   3   21 o 216.8527 4.022902  9766.131       323.5045 10268.11       
634.8975 9590.099       375.9721 220.2847 6.864996 213.4208 4.196044 6.863922 
8.045804 
1 1 1 4   3   22 o 117.3482 3.249854  2991.037       138.1440 2729.406       
270.9982 3082.892       160.5735 113.6382 5.680192 121.0582 3.159371 -7.419952 
6.499708 
1 1 1 4   3   23 o 35.39758 5.053898  249.6593       64.46592 319.5739       
133.5460 228.4178       73.61037 37.92788 8.585470 32.86728 5.334532 5.060604 
10.10780 
1 1 1 4   3   24 o 129.4702 3.540558  3595.548       166.1939 3437.876       
329.5401 3649.329       192.4618 127.3094 6.165508 131.6311 3.482629 -4.321648 
7.081116 
1 1 1 4   3   25 o 104.6744 3.238402  2239.633       114.6751 2438.692       
258.9383 2191.065       127.9017 107.3063 5.747677 102.0425 2.985496 5.263763 
6.476803 
1 1 1 4   3   26 f 93.44359 3.559961  1860.889       113.2304 1821.873       
246.9275 1871.278       127.4163 92.61462 6.350545 94.27254 3.219296 -1.657921 
7.119922 
1 1 1 4   3   27 o 71.51218 4.225537  1080.649       126.8647 0.000000       
0.000000 1080.649       126.8647 ?        ?        71.51218 4.225537 ? ? 
1 1 1 4   3   28 o 100.4637 3.852751  2163.062       155.4440 2099.868       
258.7876 2198.732       194.4259 99.09225 6.220492 101.8351 4.547553 -2.742859 
7.705502 
1 1 1 4   3   29 o 104.7381 3.846276  2258.183       153.4137 2549.214       
292.6061 2147.852       180.1618 108.8704 6.401690 100.6058 4.265411 8.264664 
7.692552 
1 1 1 4   3   30 o 55.50642 4.405315  647.6842       94.74389 712.7800       
174.1818 620.3319       112.9078 57.15294 7.259140 53.85991 4.993205 3.293034 
8.810631 
1 1 1 4   3   31 o 49.56355 5.116823  572.0734       89.87985 495.7141       
169.1790 602.1009       106.0902 46.15252 9.053923 52.97457 4.770115 -6.822052 
10.23365 
1 1 1 4   3   32 o 91.68373 4.118872  1880.871       133.6751 1754.183       
270.5146 1921.801       153.7599 88.55749 7.275897 94.80997 3.862870 -6.252480 
8.237744 
1 1 1 4   3   33 o 72.96153 3.890898  1155.551       106.0538 1201.676       
203.9000 1138.445       124.1719 73.20596 6.634251 72.71711 4.067314 0.4888458 
7.781795 
1 1 1 4   3   34 o 59.74487 4.593140  806.2108       101.9949 812.7028       
195.0330 803.7670       119.6624 58.86136 7.892215 60.62837 4.701135 -1.767010 
9.186279 
1 1 1 4   3   35 o 61.91731 4.806918  816.6517       105.6128 1035.900       
227.6379 756.5138       119.2205 65.34193 8.298004 58.49269 4.854788 6.849239 
9.613836 
1 1 1 4   3   36 o 29.63652 7.332793  240.1902       104.4293 216.2140       
229.1783 246.4730       117.3166 28.62020 11.80122 30.65283 8.706924 -2.032631 
14.66559 
1 1 1 4   3   37 o 23.51800 7.224756  80.49604       108.5756 254.9498       
241.0760 36.10531       121.6074 28.23288 11.89881 18.80312 8.197971 9.429754 
14.44951 
1 1 1 4   3   38 f 22.75271 7.190804  59.90088       110.6066 321.3897       
253.3631 -1.667018      122.9402 28.37749 12.08876 17.12793 7.790543 11.24957 
14.38161 
1 1 1 4   4   0  o 294.3025 2.648548  18042.60       306.8218 17764.71       
372.3824 18630.10       541.4442 290.8384 3.049709 297.7665 4.331108 -6.928040 
5.297095 
1 1 1 4   4   1  o 155.9014 2.520433  5053.100       159.8695 4901.487       
201.0950 5313.497       263.5431 152.7675 3.135389 159.0353 3.947109 -6.267868 
5.040867 
1 1 1 4   4   2  o 352.2790 4.758779  25648.81       607.9755 27031.52       
1235.805 25207.29       698.3298 358.2331 8.216852 346.3249 4.802837 11.90814 
9.517557 
1 1 1 4   4   3  o 89.71202 2.332901  1643.743       86.03471 1917.805       
139.9808 1477.364       109.0669 95.55275 3.489365 83.87128 3.097425 11.68147 
4.665802 
1 1 1 4   4   4  o 311.9689 4.152193  20593.05       523.4723 19989.51       
860.2914 20947.89       659.6445 308.2397 6.647803 315.6981 4.976902 -7.458435 
8.304386 
1 1 1 4   4   5  o 141.6952 2.758611  4247.346       162.8810 3896.510       
238.9236 4551.977       222.6350 136.1822 4.178879 147.2082 3.602322 -11.02603 
5.517223 
1 1 1 4   4   6  f 67.56065 2.128574  960.7473       59.91499 813.6208       
83.68897 1115.448       85.81627 62.24050 3.202700 72.88081 2.804642 -10.64032 
4.257147 
1 1 1 4   4   7  o 177.5711 2.615766  6634.726       193.8264 6518.818       
289.1649 6729.291       261.1889 176.1532 3.909993 178.9890 3.475757 -2.835785 
5.231533 
1 1 1 4   4   8  o 218.0727 3.653461  9704.260       268.3424 10490.14       
609.0267 9514.938       298.9223 223.3049 6.496197 212.8405 3.345223 10.46437 
7.306921 
1 1 1 4   4   9  o 83.50594 1.791528  1464.456       62.01657 1170.856       
85.49628 1790.479       90.09355 74.66972 2.727242 92.34216 2.323886 -17.67243 
3.583057 
1 1 1 4   4   10 o 232.3682 2.578148  11374.99       250.3564 10957.45       
368.2831 11733.72       341.3622 228.3836 3.840943 236.3528 3.440137 -7.969177 
5.156296 
1 1 1 4   4   11 o 141.3827 2.813147  4162.580       151.2756 4286.662       
283.7417 4113.304       178.8077 142.8176 4.732193 139.9478 3.043275 2.869797 
5.626294 
1 1 1 4   4   12 o 219.2173 4.158907  10135.76       362.4490 10014.27       
620.2449 10198.77       446.6455 218.1515 6.772141 220.2831 4.829507 -2.131607 
8.317815 
1 1 1 4   4   13 o 471.0124 6.368201  46576.25       1153.781 47275.23       
2114.252 46279.80       1376.875 473.1085 10.64430 468.9163 6.993916 4.192169 
12.73640 
1 1 1 4   4   14 f 418.5257 6.585165  36852.84       894.1672 37102.02       
2093.074 36797.21       988.9526 418.7439 11.90576 418.3076 5.631198 0.4363098 
13.17033 
1 1 1 4   4   15 o 284.9763 3.570495  17072.72       386.5683 17075.61       
721.1833 17071.55       457.9078 284.9013 6.029375 285.0512 3.826275 
-0.1499329     7.140990 
1 1 1 4   4   16 o 176.6862 2.963709  6557.374       201.4336 6568.560       
368.0495 6552.589       240.6797 176.7540 4.959730 176.6183 3.245822 0.1356812 
5.927418 
1 1 1 4   4   17 o 172.5986 3.804702  6259.986       275.7001 0.000000       
0.000000 6259.986       275.7001 ?        ?        172.5986 3.804702 ? ? 
1 1 1 4   4   18 o 312.6826 7.462352  19917.02       721.8069 21923.38       
1831.488 19548.08       785.3721 320.6870 13.60329 304.6782 6.139814 16.00876 
14.92470 
1 1 1 4   4   19 o 80.72955 2.909550  1202.462       83.14339 1697.218       
185.9125 1078.770       92.95737 89.80685 4.930831 71.65224 3.090118 18.15461 
5.819100 
1 1 1 4   4   20 o 175.9686 4.223154  6100.932       216.6733 7143.111       
600.1568 5944.734       232.3437 183.7682 7.778851 168.1689 3.290836 15.59929 
8.446308 
1 1 1 4   4   21 o 157.5860 3.397155  5039.062       184.4982 5574.126       
407.8818 4901.424       206.8715 162.4934 5.978878 152.6786 3.227333 9.814835 
6.794310 
1 1 1 4   4   22 o 142.7715 3.944449  4224.215       198.5175 4456.462       
420.3198 4157.534       225.2202 145.0152 6.903788 140.5278 3.817385 4.487350 
7.888898 
1 1 1 4   4   23 o 106.1111 2.795892  2302.887       104.8408 2502.933       
222.8595 2246.033       118.8086 108.8781 4.875416 103.3441 2.738315 5.534042 
5.591784 
1 1 1 4   4   24 o 106.4879 2.756305  2353.165       112.2190 2480.263       
209.6950 2302.157       132.8421 108.3837 4.608349 104.5921 3.025227 3.791557 
5.512611 
1 1 1 4   4   25 o 237.7514 5.246683  12060.32       468.4778 11998.11       
887.6068 12084.35       551.5595 236.5422 8.937849 238.9606 5.497778 -2.418350 
10.49337 
1 1 1 4   4   26 o 148.9963 3.866386  4576.360       200.5604 4922.670       
433.9539 4482.295       226.1641 152.1477 6.793590 145.8449 3.693632 6.302780 
7.732773 
1 1 1 4   4   27 o 49.53727 4.918082  597.8025       82.82690 402.1277       
153.9995 677.4431       98.24699 42.43095 8.926492 56.64358 4.131328 -14.21262 
9.836164 
1 1 1 4   4   28 o 79.32917 3.731243  1328.341       118.2805 1367.415       
202.0847 1307.980       145.8784 80.06501 6.011899 78.59333 4.421061 1.471680 
7.462486 
1 1 1 4   4   29 o 21.25636 9.246168  -13.45851      153.9891 -13.45851      
153.9891 0.000000       0.000000 21.25636 9.246168 ?        ?        ? ? 
1 1 1 4   4   30 o 29.24743 6.668212  150.1830       87.46397 297.7863       
167.0269 94.41665       102.6654 35.85679 10.45582 22.63807 8.278645 13.21873 
13.33642 
1 1 1 4   4   31 o 169.2334 5.516901  6200.244       339.3080 6625.778       
683.8658 6061.276       390.8041 170.8413 9.534527 167.6255 5.553160 3.215805 
11.03380 
1 1 1 4   4   32 o 91.38238 4.013167  1851.792       143.8787 1715.500       
247.1003 1921.702       176.9734 88.16256 6.675905 94.60220 4.455822 -6.439636 
8.026335 
1 1 1 4   4   33 o 40.28062 5.955080  373.9615       90.07954 400.1205       
170.9512 363.9066       105.9874 40.04614 10.15019 40.51509 6.231011 
-0.4689560     11.91016 
1 1 1 4   4   34 o 36.19426 6.743460  334.1908       95.70165 307.4678       
193.8296 342.8054       110.0514 34.13154 11.45584 38.25699 7.117636 -4.125450 
13.48692 
1 1 1 4   4   35 o 40.56963 6.706782  442.3714       101.3683 366.4572       
211.2774 465.0721       115.5346 35.82103 11.96034 45.31822 6.072399 -9.497196 
13.41356 
1 1 1 4   4   36 o 59.66517 5.818227  747.7521       120.1567 1140.366       
276.4076 656.2721       133.4228 65.77184 10.00993 53.55849 5.933661 12.21335 
11.63645 
1 1 1 4   4   37 o 71.77846 6.138176  1329.087       150.6885 1316.333       
311.7563 1332.975       172.1318 67.27936 11.03709 76.27756 5.375086 -8.998199 
12.27635 
1 1 1 4   4   38 o 17.91645 5.804797  -69.40611      116.8003 -637.8782      
244.7694 98.20378       132.9084 14.72553 7.499353 21.10737 8.862412 -6.381845 
11.60959 
1 1 1 4   5   0  o 286.1616 3.071852  17195.10       368.1266 17361.39       
541.3121 17052.02       502.1142 287.4388 4.485631 284.8844 4.198121 2.554352 
6.143704 
1 1 1 4   5   1  o 87.97608 2.015292  1624.437       73.94089 1617.198       
98.91670 1633.604       111.3141 87.75613 2.684808 88.19603 3.006231 
-0.4398956     4.030585 
1 1 1 4   5   2  o 330.5573 4.388145  22972.32       601.8719 22917.10       
792.4766 23047.58       925.2051 330.1370 5.717594 330.9776 6.658257 
-0.8405762     8.776290 
1 1 1 4   5   3  o 162.4119 2.652334  5534.459       177.2275 5508.027       
228.6113 5574.271       280.5686 161.9379 3.362561 162.8859 4.102765 
-0.9479980     5.304667 
1 1 1 4   5   4  o 131.5722 2.682097  3555.471       139.9049 3880.088       
246.4143 3401.052       169.9542 135.8908 4.319136 127.2537 3.181139 8.637161 
5.364194 
1 1 1 4   5   5  o 248.8932 3.407927  12714.04       311.7806 13652.46       
623.8115 12401.57       359.9651 254.8033 5.831354 242.9832 3.528623 11.82016 
6.815854 
1 1 1 4   5   6  o 292.3885 4.717811  18116.38       566.0597 17347.99       
890.7921 18636.81       733.1082 287.0756 7.390964 297.7014 5.865545 -10.62573 
9.435622 
1 1 1 4   5   7  o 57.39951 1.954758  644.9037       43.49594 815.2495       
82.19579 578.6496       51.26139 62.30335 3.142384 52.49566 2.325884 9.807686 
3.909516 
1 1 1 4   5   8  o 185.5375 3.367175  7165.004       230.0243 7379.649       
454.5322 7091.106       266.6969 187.3367 5.779136 183.7384 3.457317 3.598312 
6.734349 
1 1 1 4   5   9  o 306.7990 4.022031  19722.31       412.3559 19905.92       
930.0510 19677.38       460.0445 307.5311 7.203420 306.0669 3.580177 1.464203 
8.044062 
1 1 1 4   5   10 o 261.2532 4.814713  14070.76       470.9330 15005.85       
913.8114 13732.60       549.5265 266.9080 8.154851 255.5984 5.120963 11.30966 
9.629427 
1 1 1 4   5   11 o 164.8428 3.389111  5433.105       197.7432 6233.433       
424.7379 5211.629       223.4352 172.1666 5.876155 157.5191 3.378621 14.64751 
6.778221 
1 1 1 4   5   12 o 148.4202 1.786321  4625.192       111.3020 4674.461       
158.5166 4577.281       156.3161 149.1996 2.530626 147.6408 2.521846 1.558884 
3.572643 
1 1 1 4   5   13 o 231.1191 2.343418  11194.31       225.8067 11011.99       
300.9308 11429.23       341.5992 228.9778 3.130360 233.2604 3.488163 -4.282639 
4.686836 
1 1 1 4   5   14 o 490.6261 6.645307  50779.91       1368.799 51103.66       
1937.291 50457.16       1934.259 492.1935 9.375192 489.0587 9.420519 3.134796 
13.29061 
1 1 1 4   5   15 o 274.5289 3.798950  15854.09       437.6409 15585.62       
625.4133 16111.69       612.6204 272.2419 5.471837 276.8159 5.271345 -4.574005 
7.597899 
1 1 1 4   5   16 o 191.6449 3.949180  7723.231       315.0485 7738.261       
477.8936 7711.679       418.9869 191.7854 5.935220 191.5043 5.211263 0.2810974 
7.898360 
1 1 1 4   5   17 o 102.3902 2.258676  2207.979       96.82697 2098.220       
139.9082 2308.877       134.1418 99.93840 3.334507 104.8419 3.047546 -4.903542 
4.517353 
1 1 1 4   5   18 o 199.4093 3.357426  8321.541       277.2989 8606.759       
432.0728 8121.785       361.5924 202.2734 5.087909 196.5452 4.382056 5.728165 
6.714852 
1 1 1 4   5   19 o 174.1927 2.910316  6358.736       207.7066 6476.808       
333.6776 6284.044       265.3929 175.4782 4.529235 172.9072 3.655926 2.571030 
5.820632 
1 1 1 4   5   20 o 147.4682 1.955149  4591.180       119.9195 4393.892       
180.2078 4747.978       160.6548 144.6010 2.968408 150.3354 2.545385 -5.734497 
3.910298 
1 1 1 4   5   21 o 132.8620 2.330788  3692.552       129.5307 3503.014       
174.3217 3926.216       193.5520 129.0799 3.216724 136.6441 3.373867 -7.564224 
4.661576 
1 1 1 4   5   22 f 268.0735 4.151392  15133.13       449.2060 15368.78       
748.5414 15000.50       561.5646 269.4640 6.616621 266.6830 5.015629 2.780914 
8.302783 
1 1 1 4   5   23 o 63.09445 2.391257  835.6556       63.13906 864.6766       
93.73926 811.5554       85.42324 64.08929 3.483831 62.09961 3.276485 1.989681 
4.782513 
1 1 1 4   5   24 o 83.28921 2.118227  1459.129       73.56601 1465.024       
110.7813 1454.478       98.39307 83.42809 3.162826 83.15032 2.818524 0.2777710 
4.236454 
1 1 1 4   5   25 o 106.9243 2.220920  2385.796       96.50557 2487.143       
159.2284 2326.953       121.3293 108.6704 3.490040 105.1783 2.747646 3.492111 
4.441839 
1 1 1 4   5   26 o 185.4174 4.211570  7077.314       246.1304 7611.426       
606.6875 6972.086       269.2868 188.9008 7.649840 181.9341 3.525510 6.966629 
8.423140 
1 1 1 4   5   27 o 87.57294 3.419690  1619.280       103.6079 1626.346       
222.4218 1617.322       117.0868 87.51136 6.053881 87.63451 3.182394 
-0.1231461     6.839379 
1 1 1 4   5   28 o 23.02788 6.136942  84.75410       72.06062 89.12160       
147.8248 83.39275       82.53061 25.00862 9.754753 21.04714 7.449363 3.961475 
12.27388 
1 1 1 4   5   29 o 37.63688 6.408127  290.4352       92.94519 413.8097       
175.6401 242.4487       109.5393 42.48309 10.00186 32.79068 8.013683 9.692410 
12.81625 
1 1 1 4   5   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   5   31 o 102.9122 4.012826  2345.947       158.0364 2119.323       
282.1260 2449.574       190.7771 98.59629 6.815592 107.2281 4.237783 -8.631783 
8.025653 
1 1 1 4   5   32 o 21.17820 6.160838  51.33826       84.79276 -1.347054      
156.2010 73.34991       100.9638 21.31733 9.292662 21.03907 8.091362 0.2782555 
12.32168 
1 1 1 4   5   33 o 106.8825 3.794956  2509.021       162.7802 2427.812       
270.4734 2555.139       203.8267 104.8952 6.141717 108.8698 4.459380 -3.974579 
7.589912 
1 1 1 4   5   34 o 79.20897 4.283881  1385.827       129.7841 1426.771       
239.1614 1368.736       154.5139 79.08391 7.203176 79.33404 4.639051 
-0.2501297     8.567761 
1 1 1 4   5   35 o 68.16280 4.963058  1053.671       133.2517 1129.108       
234.6771 1017.777       161.8783 68.89141 8.113844 67.43418 5.717807 1.457230 
9.926116 
1 1 1 4   5   36 o 56.52455 7.002089  889.2906       135.8796 697.9496       
260.9638 960.4602       159.1562 48.03051 12.73272 65.01859 5.830518 -16.98808 
14.00418 
1 1 1 4   5   37 o 39.95309 7.559852  326.7737       120.8885 870.4661       
258.5099 174.5993       136.7639 54.03042 11.72534 25.87576 9.545782 28.15466 
15.11970 
1 1 1 4   5   38 o 20.01649 6.281529  38.84122       110.4677 -158.6550      
214.3726 110.2454       128.8997 18.29740 8.879355 21.73557 8.887489 -3.438169 
12.56306 
1 1 1 4   6   0  f 209.3066 1.945284  9163.970       165.4705 9059.049       
208.6490 9341.811       271.6427 207.7081 2.392676 210.9050 3.067836 -3.196869 
3.890568 
1 1 1 4   6   1  o 120.0391 2.190703  2944.877       107.1744 3357.687       
178.4797 2712.085       134.0289 126.4360 3.362323 113.6423 2.809181 12.79369 
4.381406 
1 1 1 4   6   2  f 212.4270 2.946702  9491.340       262.2643 9301.598       
381.1080 9662.029       361.4664 210.4013 4.314403 214.4527 4.014741 -4.051346 
5.893405 
1 1 1 4   6   3  o 140.6018 2.463340  4176.156       144.3533 3916.073       
213.3807 4395.630       196.0158 136.5362 3.722447 144.6675 3.227314 -8.131317 
4.926679 
1 1 1 4   6   4  o 304.1570 3.731230  19441.99       472.4792 19405.99       
628.5806 19488.75       716.3655 303.8610 4.927279 304.4530 5.604482 
-0.5920715     7.462459 
1 1 1 4   6   5  o 64.93712 1.940026  825.4329       46.61908 1014.308       
94.98814 765.5021       53.50650 69.49335 3.255721 60.38088 2.110708 9.112476 
3.880053 
1 1 1 4   6   6  o 150.7711 2.806493  4490.223       142.5971 5263.170       
329.4641 4312.051       158.1806 158.2439 4.959093 143.2983 2.629259 14.94563 
5.612985 
1 1 1 4   6   7  o 124.7828 1.922047  3207.122       94.48010 3449.256       
168.0270 3095.170       114.2528 128.1534 3.122987 121.4121 2.241433 6.741280 
3.844095 
1 1 1 4   6   8  o 164.7195 3.278110  5395.008       182.0321 6225.281       
418.8941 5201.724       202.1129 172.0607 5.798875 157.3784 3.058932 14.68222 
6.556220 
1 1 1 4   6   9  o 48.35078 1.776831  488.6650       35.98222 457.7038       
48.88668 525.2672       53.15380 46.68726 2.494096 50.01430 2.531403 -3.327038 
3.553662 
1 1 1 4   6   10 o 244.4499 2.392556  12492.14       239.7337 12284.74       
306.2105 12820.56       385.3363 241.8558 3.015675 247.0439 3.715240 -5.188095 
4.785112 
1 1 1 4   6   11 o 74.95807 1.763849  1165.832       55.17206 1024.848       
73.68204 1345.761       83.23936 69.86084 2.512169 80.05531 2.476622 -10.19447 
3.527697 
1 1 1 4   6   12 o 211.0067 2.503874  9270.763       217.9891 9781.887       
345.5439 8932.870       280.9505 215.7843 3.814209 206.2292 3.244896 9.555099 
5.007748 
1 1 1 4   6   13 o 138.0076 2.193044  3997.614       126.8351 4041.628       
185.4974 3958.969       173.8157 138.7186 3.185108 137.2966 3.015436 1.421951 
4.386088 
1 1 1 4   6   14 o 264.6501 3.644375  14728.40       404.6702 14602.06       
581.2954 14847.19       563.6908 263.5409 5.253756 265.7592 5.052121 -2.218292 
7.288750 
1 1 1 4   6   15 o 327.2157 3.759414  22592.35       493.2087 22244.12       
828.2672 22783.66       613.9194 325.1734 6.067035 329.2580 4.441156 -4.084625 
7.518828 
1 1 1 4   6   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   6   17 o 231.1815 3.239274  11210.90       299.9871 11316.53       
507.9200 11154.32       371.7539 231.9664 5.215445 230.3965 3.843268 1.569839 
6.478547 
1 1 1 4   6   18 o 371.5887 4.810018  28999.87       734.6575 29537.67       
1169.241 28649.06       944.3443 374.2927 7.440702 368.8848 6.097624 5.407928 
9.620035 
1 1 1 4   6   19 o 110.4611 2.216386  2556.608       101.8269 2614.714       
155.7591 2513.239       134.5647 111.5477 3.325936 109.3745 2.930462 2.173180 
4.432771 
1 1 1 4   6   20 o 118.0000 2.347708  2922.121       115.5159 2964.480       
174.3808 2888.999       154.2023 118.7526 3.497653 117.2474 3.132627 1.505211 
4.695415 
1 1 1 4   6   21 o 188.8489 3.068482  7532.325       239.4862 7358.182       
370.7678 7656.992       313.7077 186.9221 4.724572 190.7757 3.916726 -3.853668 
6.136963 
1 1 1 4   6   22 o 116.3307 2.359473  2842.307       114.2237 2878.001       
173.9203 2815.234       151.4701 116.9571 3.541968 115.7043 3.118159 1.252800 
4.718946 
1 1 1 4   6   23 o 137.0685 1.943354  3913.750       110.6632 4196.385       
171.5403 3712.277       144.8308 141.2551 2.892565 132.8820 2.596067 8.373093 
3.886707 
1 1 1 4   6   24 o 195.7153 3.301851  8055.516       264.0560 8224.612       
427.4552 7951.168       335.7856 197.2449 5.161856 194.1857 4.118754 3.059189 
6.603703 
1 1 1 4   6   25 o 104.0771 2.395025  2279.205       103.3419 2292.023       
159.4392 2269.919       135.7075 104.3040 3.640955 103.8502 3.112559 0.4537582 
4.790050 
1 1 1 4   6   26 o 138.7253 2.534842  4057.918       147.3551 3982.369       
213.9318 4126.118       203.2608 137.4789 3.706469 139.9718 3.458869 -2.492889 
5.069684 
1 1 1 4   6   27 o 58.89248 2.761305  730.0679       67.93584 744.8553       
101.6909 718.1486       91.29871 59.41786 4.076487 58.36709 3.725784 1.050770 
5.522609 
1 1 1 4   6   28 o 87.58156 2.125246  1588.221       77.36283 1816.324       
120.2539 1427.155       101.0500 92.84662 3.084991 82.31650 2.923954 10.53012 
4.250492 
1 1 1 4   6   29 o 98.35915 2.047051  2041.180       84.45609 1957.677       
120.0913 2122.894       118.7971 96.35641 2.968602 100.3619 2.819410 -4.005455 
4.094102 
1 1 1 4   6   30 o 39.28092 5.608095  283.5736       76.87807 488.4779       
170.2204 231.0678       86.16676 46.37421 9.066286 32.18763 6.603435 14.18659 
11.21619 
1 1 1 4   6   31 o 92.55087 4.073122  1821.336       158.2657 0.000000       
0.000000 1821.336       158.2657 ?        ?        92.55087 4.073122 ? ? 
1 1 1 4   6   32 o 66.76855 4.285546  996.8214       108.6974 903.6212       
196.3016 1038.034       130.5362 63.91169 7.315847 69.62543 4.465645 -5.713741 
8.571092 
1 1 1 4   6   33 o 67.76244 4.099082  1020.721       107.3445 962.5148       
190.2642 1047.899       130.0125 65.74493 6.893120 69.77995 4.437881 -4.035019 
8.198164 
1 1 1 4   6   34 o 113.5214 4.602948  2892.025       190.6196 2870.592       
373.9645 2899.548       221.5639 111.4145 7.994839 115.6284 4.564106 -4.213852 
9.205895 
1 1 1 4   6   35 o 91.02550 5.142425  1822.729       178.8211 2157.186       
339.8923 1694.722       210.2748 94.93329 8.527935 87.11771 5.749126 7.815575 
10.28485 
1 1 1 4   6   36 o 27.45026 7.195227  189.7223       120.4371 -10.30599      
231.6937 263.7820       140.9807 23.31617 10.62919 31.58436 9.700796 -8.268198 
14.39045 
1 1 1 4   6   37 o 18.84866 6.012887  -92.41120      121.6068 -670.5392      
245.1637 96.24819       140.0501 15.20467 7.694911 22.49265 9.241621 -7.287978 
12.02577 
1 1 1 4   6   38 o 26.57908 7.463879  197.4558       116.5246 254.1954       
215.9564 174.1518       138.4005 28.07636 11.49583 25.08180 9.522801 2.994562 
14.92776 
1 1 1 4   7   0  o 389.6936 2.418866  31864.26       395.5293 32959.04       
570.8093 30853.10       548.5787 396.1249 3.432258 383.2623 3.409290 12.86264 
4.837732 
1 1 1 4   7   1  o 266.9034 2.484462  15005.62       273.2218 14739.78       
427.8378 15188.70       355.0502 264.8848 3.847186 268.9220 3.144738 -4.037201 
4.968925 
1 1 1 4   7   2  o 179.5857 2.332433  6787.241       170.1273 6827.337       
215.2505 6720.502       277.6995 180.3066 2.843503 178.8648 3.698037 1.441772 
4.664867 
1 1 1 4   7   3  o 71.06610 1.999252  1050.446       59.29152 1152.840       
90.08968 972.2047       78.75121 74.09129 2.896203 68.04092 2.756818 6.050362 
3.998504 
1 1 1 4   7   4  o 67.74808 1.824080  957.3161       46.53664 978.4786       
88.58351 949.2491       54.69165 68.25671 3.091210 67.23944 1.937394 1.017273 
3.648161 
1 1 1 4   7   5  o 316.4867 3.133371  21050.96       394.7401 21035.46       
675.7361 21058.99       486.3510 316.3478 5.087839 316.6256 3.658683 
-0.2777710     6.266743 
1 1 1 4   7   6  o 118.6289 1.534778  2967.567       75.45346 2871.741       
115.4009 3039.123       99.72246 116.9464 2.350408 120.3113 1.974275 -3.364876 
3.069556 
1 1 1 4   7   7  o 182.8883 1.590634  6975.908       119.8992 6785.071       
154.4445 7265.386       190.2160 179.7655 2.046384 186.0111 2.435730 -6.245682 
3.181269 
1 1 1 4   7   8  o 249.0076 2.547377  12886.36       253.7588 12581.58       
312.5988 13475.30       434.5369 244.7598 3.042064 253.2555 4.086852 -8.495697 
5.094753 
1 1 1 4   7   9  o 207.2780 2.394728  9023.688       208.3889 8942.914       
293.3479 9105.976       296.0838 206.3417 3.386235 208.2143 3.387078 -1.872650 
4.789455 
1 1 1 4   7   10 o 98.70943 1.728365  2043.840       71.39948 2072.061       
105.5793 2020.057       96.92336 99.33556 2.531599 98.08330 2.353719 1.252266 
3.456730 
1 1 1 4   7   11 o 115.0737 1.655475  2778.979       79.87096 2809.009       
116.2946 2752.168       109.8867 115.6610 2.394935 114.4863 2.286192 1.174683 
3.310950 
1 1 1 4   7   12 o 327.4614 4.746393  22480.69       648.2589 23261.67       
981.3553 21876.06       863.4703 332.4507 7.031048 322.4720 6.377881 9.978699 
9.492786 
1 1 1 4   7   13 o 196.9492 1.712854  8122.601       141.1716 8411.681       
209.6481 7882.780       190.9526 200.1445 2.494987 193.7539 2.347450 6.390640 
3.425709 
1 1 1 4   7   14 o 321.7860 4.756347  21702.21       639.2816 20963.89       
855.7047 22634.78       961.7134 315.6495 6.457134 327.9225 6.985469 -12.27295 
9.512694 
1 1 1 4   7   15 o 322.3161 4.863328  21787.23       642.8115 22243.52       
1030.570 21496.66       822.3997 324.9762 7.553481 319.6561 6.128032 5.320068 
9.726656 
1 1 1 4   7   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   7   17 o 367.0075 4.218188  28542.56       590.4719 27865.56       
1087.440 28825.63       703.1625 363.7094 7.121506 370.3055 4.522895 -6.596100 
8.436376 
1 1 1 4   7   18 o 343.0189 3.039250  24637.82       403.7906 24987.56       
731.0908 24484.30       484.3722 344.6686 5.052317 341.3692 3.379683 3.299438 
6.078500 
1 1 1 4   7   19 o 164.0507 2.176107  5670.910       145.7163 5583.200       
234.5037 5726.076       185.9793 162.9971 3.426817 165.1044 2.683040 -2.107285 
4.352215 
1 1 1 4   7   20 o 254.5038 2.874829  13557.92       280.0555 13778.89       
517.9160 13466.61       332.9267 255.8660 4.821341 253.1417 3.132607 2.724228 
5.749657 
1 1 1 4   7   21 o 283.5717 4.124647  16943.21       472.8224 17026.76       
783.2371 16895.30       593.0825 283.9395 6.570350 283.2038 4.988122 0.7356262 
8.249294 
1 1 1 4   7   22 o 75.51543 2.154256  1192.937       68.10053 1280.330       
101.1262 1120.417       92.12001 78.03161 3.086840 72.99924 3.005776 5.032364 
4.308512 
1 1 1 4   7   23 o 146.3786 2.558263  4423.817       150.9502 4816.382       
256.2974 4215.320       186.7830 151.2035 4.037415 141.5538 3.142946 9.649765 
5.116525 
1 1 1 4   7   24 o 122.1171 2.493240  3140.888       126.9126 3137.478       
191.1826 3143.574       169.6956 122.0342 3.731538 122.1999 3.307658 
-0.1657104     4.986479 
1 1 1 4   7   25 o 172.3113 2.662715  6261.072       191.5757 6217.159       
285.7220 6296.939       258.2188 171.7261 3.963041 172.8966 3.557317 -1.170502 
5.325429 
1 1 1 4   7   26 o 185.0083 2.514194  7052.700       168.0481 7519.413       
344.4067 6906.865       192.5214 188.7824 4.345415 181.2343 2.530228 7.548080 
5.028388 
1 1 1 4   7   27 f 81.27989 2.347075  1391.543       80.02059 1385.609       
115.4992 1397.021       110.9691 81.10740 3.391874 81.45239 3.245034 
-0.3449936     4.694151 
1 1 1 4   7   28 o 146.5009 2.675348  4527.603       164.5136 4401.669       
230.2568 4658.929       235.1347 144.4178 3.797632 148.5841 3.769343 -4.166306 
5.350697 
1 1 1 4   7   29 o 48.77978 3.113346  504.2224       63.74543 500.9213       
90.93882 507.4111       89.38068 48.61739 4.455318 48.94216 4.349923 
-0.3247681     6.226692 
1 1 1 4   7   30 o 70.65276 2.417617  1064.300       71.00757 910.7554       
101.7651 1209.987       99.12664 65.60249 3.694872 75.70301 3.118877 -10.10052 
4.835233 
1 1 1 4   7   31 o 30.41153 4.600959  208.4189       57.05145 180.8177       
81.53770 234.8923       79.85452 28.30324 6.912061 32.51982 6.074430 -4.216578 
9.201918 
1 1 1 4   7   32 o 129.1730 4.257987  3586.208       210.3553 3715.713       
389.6942 3532.957       249.8886 129.9225 7.144317 128.4236 4.634710 1.498825 
8.515973 
1 1 1 4   7   33 o 66.54766 6.801653  981.9177       190.0318 981.9177       
190.0318 0.000000       0.000000 66.54766 6.801653 ?        ?        ? ? 
1 1 1 4   7   34 o 20.35177 6.408700  -6.769340      103.5182 -90.07475      
200.5947 23.46895       120.8541 21.09559 9.723572 19.60795 8.350920 1.487638 
12.81740 
1 1 1 4   7   35 o 25.03796 7.422556  78.61042       118.3428 170.8984       
228.3640 44.72681       138.3725 28.86813 11.82099 21.20779 8.980070 7.660341 
14.84511 
1 1 1 4   7   36 o 29.25589 7.059102  231.2781       119.0665 -13.59767      
231.4282 319.4286       138.8532 23.36734 10.64461 35.14445 9.274476 -11.77711 
14.11820 
1 1 1 4   7   37 o 26.07870 6.126869  101.9872       123.3745 -563.6240      
234.2739 357.4251       145.1297 15.59898 7.856489 36.55842 9.403706 -20.95944 
12.25374 
1 1 1 4   7   38 o 30.76737 7.134608  298.6383       123.4080 97.38842       
213.0914 400.1991       151.3774 23.87271 10.59799 37.66203 9.554738 -13.78932 
14.26922 
1 1 1 4   7   39 o 23.99349 7.020679  162.9002       123.0637 22.04466       
221.2581 225.9933       148.0824 21.21709 9.936047 26.76988 9.921427 -5.552788 
14.04136 
1 1 1 4   8   0  o 174.5070 1.365719  6258.634       88.68530 6108.563       
103.1017 6685.531       173.8920 170.5776 1.439676 178.4364 2.321224 -7.858841 
2.731437 
1 1 1 4   8   1  o 123.0624 1.885480  3139.370       95.76120 3395.439       
152.3353 2972.070       123.1320 127.1549 2.853571 118.9700 2.465213 8.184875 
3.770960 
1 1 1 4   8   2  o 123.2745 1.649492  3192.247       83.81445 3183.923       
131.6127 3197.926       108.7077 123.1359 2.545857 123.4130 2.098073 
-0.2770309     3.298985 
1 1 1 4   8   3  o 82.87965 1.641773  1465.217       55.99565 1305.524       
85.34163 1585.941       74.20148 78.84864 2.578029 86.91067 2.033577 -8.062027 
3.283545 
1 1 1 4   8   4  o 125.6140 1.922948  3238.753       96.11516 3544.621       
168.1137 3090.222       117.1502 129.9137 3.082259 121.3142 2.300130 8.599510 
3.845896 
1 1 1 4   8   5  o 147.8014 1.806013  4593.975       111.9014 4398.798       
160.2719 4779.614       156.3074 144.7322 2.637626 150.8705 2.467723 -6.138275 
3.612025 
1 1 1 4   8   6  o 47.69625 1.682992  475.1082       33.55623 417.3499       
45.79211 542.0949       49.31480 44.58196 2.446542 50.81054 2.311769 -6.228584 
3.365983 
1 1 1 4   8   7  o 80.73506 1.473683  1367.011       49.92246 1423.112       
72.01602 1315.113       69.26629 82.32784 2.083548 79.14229 2.084656 3.185547 
2.947365 
1 1 1 4   8   8  o 48.49353 1.799419  494.1566       36.53160 542.6050       
52.10468 447.3151       51.23331 50.83360 2.441445 46.15346 2.644047 4.680141 
3.598838 
1 1 1 4   8   9  o 157.8186 2.273782  5231.059       150.6355 5225.696       
211.2520 5236.606       214.8553 157.7370 3.189983 157.9002 3.241040 
-0.1632233     4.547564 
1 1 1 4   8   10 o 243.1551 1.674289  12208.74       159.4106 11860.67       
191.9733 12981.77       286.0927 237.6777 1.923860 248.6324 2.740754 -10.95476 
3.348577 
1 1 1 4   8   11 o 326.6986 2.956435  22409.12       403.8699 22246.75       
546.2149 22604.95       599.8640 325.4068 3.998140 327.9904 4.356250 -2.583527 
5.912870 
1 1 1 4   8   12 o 461.2620 6.023274  44824.81       1165.555 45102.57       
1683.599 44569.15       1615.214 462.6022 8.668660 459.9217 8.365026 2.680542 
12.04655 
1 1 1 4   8   13 o 392.2282 4.252988  32367.88       699.5725 32576.88       
968.6047 32139.98       1011.477 393.5715 5.861975 390.8849 6.163512 2.686676 
8.505976 
1 1 1 4   8   14 o 97.71958 2.036644  1973.576       82.66825 1799.121       
107.7669 2223.015       128.8621 92.55752 2.773288 102.8816 2.983379 -10.32413 
4.073288 
1 1 1 4   8   15 o 334.6713 5.014372  23595.96       700.8154 23439.81       
1044.507 23723.82       945.1323 333.6112 7.457477 335.7314 6.705353 -2.120239 
10.02874 
1 1 1 4   8   16 o 359.6949 5.285224  26721.61       767.2367 25419.43       
950.5872 29155.33       1299.544 347.5200 6.515282 371.8698 8.323790 -24.34979 
10.57045 
1 1 1 4   8   17 o 334.0031 3.649633  23405.26       505.3300 23808.49       
782.0386 23116.20       662.1259 336.4209 5.536895 331.5853 4.756268 4.835571 
7.299267 
1 1 1 4   8   18 o 219.9998 2.691836  9887.085       202.5994 10666.21       
450.0232 9689.032       226.8930 225.2130 4.759513 214.7867 2.516140 10.42622 
5.383672 
1 1 1 4   8   19 o 243.2780 2.420285  12436.30       247.1665 12378.58       
346.3693 12496.18       352.8122 242.7047 3.399243 243.8512 3.446194 -1.146515 
4.840569 
1 1 1 4   8   20 o 185.9989 3.161868  7283.292       244.9476 7240.130       
369.8874 7317.003       326.8985 185.4810 4.749973 186.5167 4.174613 -1.035706 
6.323737 
1 1 1 4   8   21 o 249.9274 3.537952  13170.51       370.7661 12853.33       
533.9080 13465.94       515.2733 246.9928 5.148766 252.8620 4.853724 -5.869232 
7.075905 
1 1 1 4   8   22 o 268.4411 2.470756  15138.46       266.2357 15228.69       
448.3613 15089.31       330.8860 268.9754 3.970422 267.9068 2.941817 1.068573 
4.941511 
1 1 1 4   8   23 o 183.3671 2.828940  7043.436       212.6135 7260.317       
342.0992 6906.941       271.3926 185.5900 4.390545 181.1441 3.568574 4.445877 
5.657880 
1 1 1 4   8   24 o 274.7641 4.271109  16002.14       488.1302 15949.63       
741.7034 16042.26       648.3224 274.1909 6.443150 275.3373 5.608503 -1.146423 
8.542218 
1 1 1 4   8   25 o 170.6572 2.567230  6186.072       179.4256 5897.076       
283.5566 6379.053       231.7139 167.2326 4.038685 174.0818 3.170441 -6.849274 
5.134459 
1 1 1 4   8   26 o 124.4100 2.598300  3213.436       131.9788 3460.054       
216.5949 3067.795       166.4480 128.1060 4.027170 120.7141 3.284291 7.391884 
5.196601 
1 1 1 4   8   27 o 114.1207 2.341230  2741.137       112.1242 2630.054       
156.8072 2857.354       160.3887 111.7527 3.342174 116.4886 3.279528 -4.735962 
4.682460 
1 1 1 4   8   28 f 172.0605 2.561684  6252.176       184.7914 5954.979       
263.6342 6539.224       259.0938 168.0096 3.737566 176.1115 3.504212 -8.101883 
5.123368 
1 1 1 4   8   29 o 121.7994 2.422448  3130.889       123.8560 3119.724       
173.5667 3142.474       176.7955 121.5831 3.400277 122.0157 3.451250 
-0.4326935     4.844895 
1 1 1 4   8   30 o 16.17635 4.809637  7.825618       55.78350 25.27647       
79.95035 -8.729032      77.87035 17.14512 7.003127 15.20759 6.594440 1.937529 
9.619273 
1 1 1 4   8   31 o 95.76276 2.257110  1938.742       90.69837 1947.004       
130.5241 1931.029       126.1228 95.94952 3.240180 95.57600 3.143155 0.3735199 
4.514220 
1 1 1 4   8   32 o 24.52904 5.024652  130.9588       57.15075 188.2186       
82.88736 79.06723       78.90627 28.76674 6.934151 20.29134 7.273654 8.475403 
10.04930 
1 1 1 4   8   33 o 25.04645 6.386131  128.7623       85.95020 138.8704       
126.2860 120.0396       117.3132 25.72340 9.203731 24.36950 8.855621 1.353905 
12.77226 
1 1 1 4   8   34 o 82.38497 5.978581  1498.803       206.7879 1498.803       
206.7879 0.000000       0.000000 82.38497 5.978581 ?        ?        ? ? 
1 1 1 4   8   35 o 29.43470 7.075007  222.4098       117.6744 -25.01112      
232.4807 307.6362       136.4444 23.76645 10.78369 35.10295 9.161599 -11.33651 
14.15001 
1 1 1 4   8   36 o 24.03187 7.324285  67.99822       120.5235 112.1147       
235.5704 52.35577       140.2726 26.72323 11.52711 21.34052 9.039154 5.382706 
14.64857 
1 1 1 4   8   37 o 45.34875 7.644198  508.1942       129.8190 753.9267       
257.9422 424.8364       150.2327 50.29340 12.30105 40.40410 9.078510 9.889297 
15.28840 
1 1 1 4   8   38 o 21.38704 6.769442  -14.30563      116.6172 184.7518       
210.3405 -102.6471      140.1251 26.64266 11.16604 16.13142 7.656423 10.51125 
13.53888 
1 1 1 4   8   39 f 21.34216 6.689723  75.64558       121.3475 -57.81343      
224.0294 131.0599       144.3585 20.00964 9.560050 22.67468 9.360290 -2.665043 
13.37945 
1 1 1 4   9   0  o 126.4652 1.321481  3293.359       58.98886 3477.510       
124.8366 3240.420       66.93275 128.6915 2.310538 124.2390 1.283222 4.452560 
2.642961 
1 1 1 4   9   1  o 165.0425 1.603147  5748.942       103.3855 5638.534       
182.6831 5800.964       125.3986 163.8626 2.655459 166.2224 1.796902 -2.359787 
3.206293 
1 1 1 4   9   2  o 120.7082 1.514199  3067.342       76.53462 2885.344       
109.9566 3238.380       106.5943 117.2246 2.234210 124.1918 2.044382 -6.967194 
3.028398 
1 1 1 4   9   3  o 261.2738 2.335392  14393.47       252.1552 14012.89       
390.1544 14666.47       330.4409 258.2827 3.598010 264.2650 2.978347 -5.982269 
4.670784 
1 1 1 4   9   4  o 161.1442 2.078378  5589.921       122.7149 5172.754       
237.7186 5741.475       143.2821 156.9248 3.608218 165.3636 2.063826 -8.438812 
4.156756 
1 1 1 4   9   5  o 343.6010 3.901334  24815.67       562.5497 25026.53       
808.9143 24618.17       782.8561 345.0076 5.584637 342.1943 5.449169 2.813263 
7.802667 
1 1 1 4   9   6  o 56.58316 1.625962  665.0891       38.30901 556.7385       
51.55506 798.6752       57.24480 51.49176 2.384815 61.67457 2.210808 -10.18281 
3.251925 
1 1 1 4   9   7  o 205.0931 2.813903  8637.602       235.9670 8020.759       
297.0297 9692.903       388.5088 195.4055 3.620630 214.7806 4.308507 -19.37511 
5.627806 
1 1 1 4   9   8  o 224.4478 2.793793  10587.03       261.6983 10550.97       
391.6982 10616.10       351.7165 224.0926 4.163371 224.8031 3.726589 
-0.7104950     5.587587 
1 1 1 4   9   9  o 68.29506 1.701953  979.1901       48.78889 950.6822       
68.50372 1008.536       69.50297 67.28635 2.424980 69.30377 2.388733 -2.017426 
3.403906 
1 1 1 4   9   10 o 276.7451 2.375916  15933.75       265.3689 15548.21       
330.4170 16634.30       445.3997 272.0951 2.892429 281.3950 3.770115 -9.299866 
4.751833 
1 1 1 4   9   11 o 389.8065 4.487997  31971.02       734.2976 32309.92       
1030.454 31621.38       1046.642 391.9166 6.262621 387.6964 6.430244 4.220184 
8.975994 
1 1 1 4   9   12 o 361.6648 4.705011  27430.38       708.9022 28246.42       
1078.118 26808.82       940.9094 366.3403 7.009751 356.9892 6.277891 9.351135 
9.410023 
1 1 1 4   9   13 o 278.8299 2.092838  16316.26       243.8489 16449.39       
363.5171 16207.35       328.7995 279.8570 3.093925 277.8028 2.819133 2.054138 
4.185676 
1 1 1 4   9   14 o 364.1845 3.282927  27703.18       485.0398 28538.56       
801.6226 27220.69       609.2161 368.4340 5.182405 359.9351 4.031515 8.498901 
6.565854 
1 1 1 4   9   15 o 206.3656 4.366082  8822.062       342.6226 9285.605       
646.0870 8640.699       404.1278 209.9829 7.328719 202.7484 4.747692 7.234558 
8.732164 
1 1 1 4   9   16 o 501.0663 6.898520  52875.96       1396.823 53561.52       
2320.138 52486.22       1749.388 503.2043 10.98223 498.9282 8.351588 4.276154 
13.79704 
1 1 1 4   9   17 f 165.7042 2.307505  5696.243       155.1083 6042.152       
258.0634 5500.605       194.0762 169.5791 3.624727 161.8293 2.856513 7.749786 
4.615009 
1 1 1 4   9   18 o 249.4240 2.903642  12910.25       268.1266 13431.04       
526.5920 12727.97       311.5346 252.6992 4.963540 246.1487 3.014600 6.550461 
5.807283 
1 1 1 4   9   19 o 172.2800 2.078379  6151.147       146.1625 6587.680       
239.7760 5893.021       184.3798 177.0639 3.225499 167.4960 2.621984 9.567856 
4.156758 
1 1 1 4   9   20 o 125.2322 2.158686  3296.950       113.2944 3046.814       
159.1142 3554.180       161.3544 120.4081 3.147561 130.0563 2.955090 -9.648132 
4.317371 
1 1 1 4   9   21 o 39.39732 3.328943  324.4029       54.84003 355.0020       
82.16586 299.8224       73.64320 41.05870 4.766584 37.73595 4.648346 3.322746 
6.657886 
1 1 1 4   9   22 o 79.00293 2.166322  1307.496       71.63174 1371.272       
106.4255 1254.674       96.85469 80.75455 3.139062 77.25130 2.986317 3.503258 
4.332644 
1 1 1 4   9   23 f 153.4600 1.963667  4952.005       126.5070 4910.575       
179.3957 4992.987       178.4241 152.8198 2.796104 154.1003 2.757853 -1.280518 
3.927334 
1 1 1 4   9   24 f 146.0880 2.136953  4480.014       130.4172 4591.405       
195.4020 4390.532       175.1337 147.7070 3.151005 144.4689 2.887462 3.238068 
4.273906 
1 1 1 4   9   25 o 103.9091 2.117536  2276.402       91.50166 2239.888       
138.7180 2304.526       121.7431 103.1516 3.203153 104.6666 2.770496 -1.514923 
4.235073 
1 1 1 4   9   26 o 205.7779 3.076017  8843.634       254.6722 9248.521       
430.5088 8625.671       315.8684 209.2238 4.901083 202.3320 3.718456 6.891754 
6.152035 
1 1 1 4   9   27 o 90.19843 2.121676  1710.290       79.91994 1730.797       
119.6466 1693.767       107.3917 90.67487 3.142929 89.72200 2.850971 0.9528656 
4.243352 
1 1 1 4   9   28 o 63.57119 2.507400  850.6682       66.74608 940.3544       
96.39447 768.0617       92.51163 66.79324 3.437484 60.34914 3.651290 6.444099 
5.014800 
1 1 1 4   9   29 o 56.87344 2.516082  669.1928       59.34505 772.0920       
93.25007 599.1479       76.93631 60.46377 3.673457 53.28311 3.439243 7.180660 
5.032165 
1 1 1 4   9   30 o 58.72421 2.570079  720.9402       62.99058 633.2088       
84.25858 832.0947       94.84185 54.71642 3.667901 62.73201 3.601072 -8.015598 
5.140158 
1 1 1 4   9   31 o 55.73866 2.762239  660.1597       64.51962 632.8860       
92.79774 685.6808       89.76678 54.60091 4.048169 56.87640 3.759279 -2.275490 
5.524477 
1 1 1 4   9   32 o 96.08859 2.429797  1956.337       97.97222 1883.170       
136.1763 2034.846       141.0600 94.22623 3.442316 97.95095 3.430176 -3.724716 
4.859593 
1 1 1 4   9   33 o 28.68830 6.513730  188.8687       88.76318 199.3704       
128.2351 179.2086       122.9893 29.33130 9.297436 28.04531 9.125372 1.285984 
13.02746 
1 1 1 4   9   34 o 58.17694 4.299212  737.5845       104.3066 857.4587       
157.8786 644.7300       138.9511 62.33942 6.032280 54.01447 6.127354 8.324955 
8.598423 
1 1 1 4   9   35 o 35.86479 9.159477  319.6816       138.4236 0.000000       
0.000000 319.6816       138.4236 ?        ?        35.86479 9.159477 ? ? 
1 1 1 4   9   36 f 26.93655 6.613468  173.2296       91.11930 145.5123       
120.7359 209.9069       138.8864 25.04317 8.995332 28.82992 9.697208 -3.786751 
13.22694 
1 1 1 4   9   37 o 41.58085 7.810723  462.8625       126.5349 555.4298       
250.5812 431.1801       146.5984 42.08113 12.93477 41.08056 8.759077 1.000572 
15.62145 
1 1 1 4   9   38 o 22.90098 6.968728  86.81216       121.0519 10.95927       
213.3914 122.8041       146.9919 22.24998 10.16106 23.55198 9.539680 -1.302000 
13.93746 
1 1 1 4   9   39 o 27.35834 7.105478  235.9522       120.9568 71.71140       
199.1792 331.9092       152.2445 22.08894 10.00412 32.62773 10.09301 -10.53878 
14.21096 
1 1 1 4   10  0  f 238.7379 1.201194  11988.01       111.1373 11909.49       
200.0138 12023.08       133.6721 238.1644 2.000342 239.3114 1.330450 -1.146973 
2.402387 
1 1 1 4   10  1  o 177.8055 1.453792  6610.804       91.17229 6688.063       
191.1514 6588.052       103.7318 178.4647 2.551210 177.1463 1.394765 1.318420 
2.907583 
1 1 1 4   10  2  o 38.39482 1.960149  328.5859       29.08403 255.8568       
48.89894 368.3989       36.17912 34.90189 3.337119 41.88776 2.057273 -6.985878 
3.920298 
1 1 1 4   10  3  o 145.0510 1.762065  4374.754       92.69382 4504.030       
187.4217 4332.894       106.6506 146.4441 3.048380 143.6579 1.768295 2.786240 
3.524129 
1 1 1 4   10  4  o 307.2888 2.921926  19902.89       375.4269 18987.22       
548.5208 20709.88       514.9367 300.6039 4.346298 313.9738 3.906444 -13.36981 
5.843853 
1 1 1 4   10  5  o 176.1367 1.674452  6464.108       121.4296 6764.969       
193.4724 6268.562       155.9771 179.4877 2.567471 172.7857 2.150176 6.701996 
3.348905 
1 1 1 4   10  6  o 22.02717 3.014413  104.2063       27.26900 88.98335       
38.34698 119.7791       38.78513 20.17633 4.623669 23.87801 3.868906 -3.701679 
6.028827 
1 1 1 4   10  7  o 356.5194 4.357332  26676.22       648.0173 26239.03       
865.3876 27234.29       977.7315 353.2375 5.835323 359.8014 6.472586 -6.563904 
8.714664 
1 1 1 4   10  8  o 215.0105 2.689151  9691.653       240.3166 9573.226       
317.2297 9851.147       368.1434 213.4830 3.539416 216.5379 4.049526 -3.054871 
5.378301 
1 1 1 4   10  9  o 163.8974 2.259503  5590.975       153.6382 5961.612       
239.2870 5331.008       200.4023 168.4719 3.383083 159.3229 2.996026 9.148987 
4.519007 
1 1 1 4   10  10 o 237.3679 2.625919  11824.95       261.4059 12064.54       
380.0646 11609.86       360.1097 239.6445 3.777557 235.0913 3.648541 4.553146 
5.251837 
1 1 1 4   10  11 o 134.1582 1.359031  3743.107       75.32938 3588.713       
97.30292 3974.066       119.0089 130.7400 1.772713 137.5764 2.060424 -6.836365 
2.718061 
1 1 1 4   10  12 o 84.17532 1.809631  1488.318       63.85172 1480.218       
92.80522 1495.599       87.98723 83.95691 2.632916 84.39374 2.483307 
-0.4368286     3.619263 
1 1 1 4   10  13 o 376.4764 5.261688  29842.61       831.3473 29913.21       
1192.605 29775.88       1159.499 376.8944 7.536988 376.0583 7.344061 0.8360901 
10.52338 
1 1 1 4   10  14 o 265.7925 3.517063  14858.84       387.9480 14798.84       
594.8921 14903.23       511.7335 265.2964 5.341065 266.2887 4.577330 
-0.9922791     7.034126 
1 1 1 4   10  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   10  16 o 268.6852 4.053380  15151.80       452.8713 15434.70       
692.7282 14940.65       598.4739 270.8335 6.092305 266.5370 5.348213 4.296417 
8.106760 
1 1 1 4   10  17 o 163.0620 2.350960  5532.993       157.6342 5841.512       
252.5707 5336.137       201.7513 166.7387 3.608010 159.3852 3.015014 7.353439 
4.701920 
1 1 1 4   10  18 o 175.3246 2.410683  6435.642       170.4874 6541.651       
284.7225 6376.388       212.8670 176.4236 3.844025 174.2257 2.910162 2.197830 
4.821366 
1 1 1 4   10  19 o 153.4479 2.093169  4944.426       134.2130 4972.425       
200.0026 4921.488       181.0248 153.8368 3.096682 153.0589 2.817089 0.7778625 
4.186338 
1 1 1 4   10  20 o 172.5064 2.458160  6252.179       176.8421 6284.243       
266.2207 6226.857       236.5799 172.8885 3.667725 172.1243 3.273834 0.7641449 
4.916319 
1 1 1 4   10  21 o 19.52325 4.506978  59.62425       50.82503 -32.87424      
75.09148 137.8232       69.04367 13.96629 6.241134 25.08022 6.503817 -11.11394 
9.013955 
1 1 1 4   10  22 o 176.6386 3.042352  6541.015       225.0394 6159.702       
305.1911 6995.398       333.1516 171.0292 4.250330 182.2481 4.354116 -11.21884 
6.084705 
1 1 1 4   10  23 o 258.6128 3.318838  14187.38       347.6701 13788.62       
568.2057 14426.02       439.5570 255.5250 5.296552 261.7006 4.000659 -6.175613 
6.637675 
1 1 1 4   10  24 o 143.8447 2.552972  4364.460       153.7680 4256.562       
224.1819 4460.324       211.3100 142.1436 3.756593 145.5458 3.458132 -3.402161 
5.105944 
1 1 1 4   10  25 o 53.79887 2.742858  610.2157       61.93183 604.1620       
88.45727 616.0363       86.73772 53.53382 3.935739 54.06392 3.821392 
-0.5300903     5.485716 
1 1 1 4   10  26 o 79.87549 2.170456  1341.487       72.74312 1406.469       
104.4984 1280.394       101.3236 81.75215 3.044610 77.99883 3.094167 3.753319 
4.340912 
1 1 1 4   10  27 o 99.06129 2.278394  2051.427       94.30395 1924.730       
126.0766 2212.342       142.0859 95.62100 3.140524 102.5016 3.301730 -6.880592 
4.556787 
1 1 1 4   10  28 o 27.93383 4.388567  167.9535       51.85992 230.9668       
75.86832 112.6890       71.05051 33.00200 5.475720 22.86566 6.859633 10.13634 
8.777134 
1 1 1 4   10  29 o 91.87806 2.355878  1762.968       90.41653 1591.646       
120.9003 1980.392       136.1989 86.86582 3.315122 96.89030 3.348224 -10.02448 
4.711755 
1 1 1 4   10  30 f 59.51460 2.733672  752.0626       68.07536 695.0338       
97.49877 806.3112       95.09250 57.28173 4.054190 61.74747 3.668159 -4.465733 
5.467344 
1 1 1 4   10  31 o 74.01759 2.366105  1158.466       73.47150 1097.889       
103.0044 1221.208       104.8284 72.03829 3.405754 75.99689 3.285521 -3.958595 
4.732210 
1 1 1 4   10  32 o 90.74171 2.045423  1735.450       77.69993 1674.433       
105.2628 1808.497       115.1734 89.01132 2.816765 92.47211 2.966623 -3.460793 
4.090846 
1 1 1 4   10  33 o 59.66738 3.992944  773.5944       99.73235 700.1638       
139.6700 849.9849       142.4570 56.69740 5.867606 62.63736 5.417158 -5.939957 
7.985888 
1 1 1 4   10  34 o 31.08096 6.408587  231.3262       89.38855 268.0960       
127.4370 195.7133       125.4163 33.35630 8.922904 28.80561 9.201180 4.550686 
12.81717 
1 1 1 4   10  35 o 18.93958 5.844422  -0.3270005     88.44850 32.13515       
125.0398 -32.83620      125.1304 20.10209 8.525414 17.77706 7.996650 2.325029 
11.68884 
1 1 1 4   10  36 o 23.87463 6.752941  92.84618       115.4555 -255.6888      
248.5211 188.7722       130.3792 20.07499 9.702216 27.67428 9.395523 -7.599289 
13.50588 
1 1 1 4   10  37 o 50.63636 4.841253  600.7874       102.3110 539.3448       
145.8698 660.2806       143.5376 47.74665 7.276853 53.52607 6.387359 -5.779411 
9.682507 
1 1 1 4   10  38 o 44.23950 6.421371  615.1249       135.3465 134.5003       
213.9953 935.5726       174.7349 25.56979 11.00756 62.90921 6.615864 -37.33942 
12.84274 
1 1 1 4   10  39 o 32.01612 6.097267  285.6296       118.3408 -71.07527      
178.5023 565.3556       158.0723 18.37317 8.683076 45.65908 8.562177 -27.28591 
12.19453 
1 1 1 4   11  0  o 465.3401 2.359146  44793.97       417.0645 47097.22       
787.6889 43896.72       491.6340 473.4699 3.962629 457.2104 2.561220 16.25958 
4.718291 
1 1 1 4   11  1  o 268.6826 1.515122  15109.33       167.2407 15389.63       
266.6204 14927.51       214.7391 270.7240 2.345782 266.6411 1.918249 4.082886 
3.030243 
1 1 1 4   11  2  o 254.5078 1.820580  13452.79       187.0749 13076.45       
232.8546 14137.90       314.1781 249.5539 2.222499 259.4618 2.884188 -9.907959 
3.641160 
1 1 1 4   11  3  o 209.6151 1.634651  9223.597       143.8157 9128.534       
200.6378 9324.052       206.2505 208.5050 2.292015 210.7251 2.331309 -2.220078 
3.269301 
1 1 1 4   11  4  o 325.9812 2.544903  22375.13       313.0354 22199.64       
589.5128 22444.04       369.4211 325.0404 4.319932 326.9219 2.691527 -1.881500 
5.089806 
1 1 1 4   11  5  o 219.0937 1.987985  10090.43       173.5448 10049.48       
296.2496 10111.82       214.1335 218.7407 3.225888 219.4467 2.324217 
-0.7059784     3.975970 
1 1 1 4   11  6  o 113.5110 1.533793  2695.240       72.63284 2792.421       
109.8528 2619.759       96.81482 115.3208 2.268948 111.7012 2.064453 3.619568 
3.067587 
1 1 1 4   11  7  o 347.1159 2.707687  25242.89       383.4937 25604.89       
622.4213 25021.37       486.8877 349.0858 4.246913 345.1460 3.360060 3.939758 
5.415374 
1 1 1 4   11  8  o 128.7014 1.774148  3476.459       95.71799 3447.083       
131.5331 3509.527       139.5541 128.1248 2.445247 129.2779 2.571220 -1.153137 
3.548296 
1 1 1 4   11  9  o 49.36546 1.891775  511.9753       39.17784 505.3752       
56.30739 518.1691       54.54623 49.05650 2.733946 49.67441 2.615490 
-0.6179047     3.783550 
1 1 1 4   11  10 o 356.0051 3.090487  26386.94       405.3091 26125.72       
470.1028 27143.46       800.0300 352.6897 3.174835 359.3206 5.303288 -6.630890 
6.180974 
1 1 1 4   11  11 o 144.1200 2.300881  4345.551       138.8611 4135.898       
188.3190 4595.379       205.5716 140.3267 3.196503 147.9133 3.310374 -7.586624 
4.601761 
1 1 1 4   11  12 o 381.4503 4.439828  30509.53       699.4337 31164.12       
1097.641 30062.04       907.5472 384.8128 6.794099 378.0878 5.717388 6.725006 
8.879657 
1 1 1 4   11  13 o 249.4513 2.434242  13088.35       253.4329 12907.50       
378.1656 13235.79       341.4557 247.8754 3.633873 251.0272 3.239923 -3.151779 
4.868484 
1 1 1 4   11  14 o 427.1073 4.481619  38341.18       730.3477 38488.29       
1353.762 38280.78       867.4077 427.4734 7.543179 426.7412 4.841497 0.7321777 
8.963239 
1 1 1 4   11  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   11  16 o 276.7904 3.169093  16118.49       338.0975 16067.43       
614.8372 16140.62       404.7946 276.4021 5.298340 277.1787 3.478531 
-0.7766113     6.338185 
1 1 1 4   11  17 o 92.30490 1.818594  1788.092       70.42161 1821.482       
101.9635 1757.638       97.37712 93.12758 2.607879 91.48222 2.535370 1.645363 
3.637188 
1 1 1 4   11  18 o 131.9387 2.228168  3660.357       123.2050 3601.259       
178.8422 3713.739       169.9723 130.9206 3.253742 132.9568 3.045010 -2.036240 
4.456335 
1 1 1 4   11  19 o 91.36209 2.299232  1727.940       87.47751 1970.113       
134.5218 1550.497       115.1489 96.82452 3.309240 85.89967 3.192930 10.92486 
4.598464 
1 1 1 4   11  20 o 355.2296 4.893445  26648.50       728.4132 26495.63       
1061.688 26784.46       1001.232 354.2021 7.139484 356.2571 6.694100 -2.054993 
9.786889 
1 1 1 4   11  21 o 55.31727 2.350624  632.5164       53.86109 799.8996       
81.70306 503.8642       71.62934 61.68495 3.154861 48.94958 3.485483 12.73536 
4.701249 
1 1 1 4   11  22 o 144.6438 1.786585  4398.342       108.4185 4200.186       
153.0271 4598.058       153.6285 141.3682 2.578326 147.9194 2.473818 -6.551208 
3.573169 
1 1 1 4   11  23 o 130.5827 1.973454  3584.383       108.0823 3610.915       
156.6608 3560.283       149.3072 131.0391 2.847610 130.1262 2.732983 0.9129028 
3.946908 
1 1 1 4   11  24 o 204.1442 2.640740  8778.802       226.1875 8800.809       
325.8890 8758.346       314.1867 204.3786 3.798005 203.9098 3.670040 0.4687500 
5.281480 
1 1 1 4   11  25 o 91.24323 2.118798  1748.014       81.05087 1680.463       
111.0770 1824.938       118.5324 89.36481 2.960591 93.12164 3.031849 -3.756828 
4.237595 
1 1 1 4   11  26 o 164.3232 1.756631  5649.963       120.7165 5383.313       
162.3328 5979.837       180.5553 160.0144 2.416397 168.6320 2.550300 -8.617630 
3.513261 
1 1 1 4   11  27 o 222.9691 2.264438  10353.02       206.1583 9999.354       
260.5993 10944.55       337.0273 218.0030 2.847291 227.9352 3.521882 -9.932190 
4.528876 
1 1 1 4   11  28 o 132.8959 2.281258  3702.239       126.8366 3513.983       
170.9150 3932.997       189.2279 129.1648 3.151789 136.6270 3.298905 -7.462173 
4.562515 
1 1 1 4   11  29 o 61.76301 2.535776  820.8917       64.40343 656.2916       
93.54278 969.2319       88.80241 55.72007 3.998708 67.80595 3.119450 -12.08588 
5.071551 
1 1 1 4   11  30 o 60.66238 2.731330  772.6475       69.24050 883.0787       
102.8254 681.0311       93.65718 64.60598 3.790957 56.71879 3.933102 7.887192 
5.462659 
1 1 1 4   11  31 f 149.6164 2.632226  4742.846       165.3224 4704.060       
234.9545 4780.879       232.6648 148.9981 3.755987 150.2346 3.688771 -1.236481 
5.264453 
1 1 1 4   11  32 o 71.54530 2.441744  1090.572       72.93500 1153.865       
100.0018 1018.643       106.6059 73.81887 3.226723 69.27173 3.665612 4.547142 
4.883488 
1 1 1 4   11  33 o 146.4924 3.593267  4606.549       220.4487 5016.869       
325.1636 4257.534       299.8908 152.5018 5.078649 140.4830 5.084643 12.01878 
7.186534 
1 1 1 4   11  34 o 81.67889 3.463746  1435.755       118.3793 1579.255       
176.1055 1317.459       159.8935 85.36961 4.913498 77.98817 4.883410 7.381439 
6.927493 
1 1 1 4   11  35 o 42.94373 5.420893  430.4361       95.35289 405.9986       
137.1129 453.3239       132.6943 41.21675 8.214813 44.67072 7.075392 -3.453972 
10.84179 
1 1 1 4   11  36 o 51.94713 4.646150  609.7631       100.7616 705.8091       
149.4748 529.7664       136.4158 55.78145 6.382625 48.11280 6.753439 7.668648 
9.292300 
1 1 1 4   11  37 o 49.65698 4.870849  577.0061       101.0779 603.1244       
139.0693 547.7582       147.1655 51.14038 6.477215 48.17359 7.276425 2.966789 
9.741698 
1 1 1 4   11  38 o 37.83204 8.956921  378.3461       140.2414 378.3461       
140.2414 0.000000       0.000000 37.83204 8.956921 ?        ?        ? ? 
1 1 1 4   11  39 o 43.53795 5.730516  491.2234       101.0396 350.7289       
136.0113 664.2386       150.9342 35.20489 9.127933 51.87101 6.930809 -16.66613 
11.46103 
1 1 1 4   12  0  f 199.2121 1.764211  8057.175       85.47787 8677.607       
286.2819 7996.450       89.56332 203.2555 3.354846 195.1686 1.093053 8.086884 
3.528421 
1 1 1 4   12  1  o 234.8218 1.841092  11317.66       142.9429 12006.79       
331.0652 11159.75       158.4758 239.0902 3.298168 230.5533 1.637241 8.536880 
3.682183 
1 1 1 4   12  2  o 185.0025 1.029735  7187.876       79.95116 7062.063       
113.9461 7309.885       112.2099 183.4070 1.479806 186.5980 1.432337 -3.190994 
2.059469 
1 1 1 4   12  3  o 174.9227 1.415102  6417.620       102.4567 6464.756       
159.0800 6384.207       133.9344 175.4679 2.159428 174.3775 1.829459 1.090469 
2.830203 
1 1 1 4   12  4  o 313.7223 2.369977  20669.88       309.4821 20650.88       
411.5415 20694.61       469.5135 313.5685 3.126096 313.8761 3.562960 
-0.3075562     4.739953 
1 1 1 4   12  5  o 376.9978 3.090990  30077.59       474.9920 28954.67       
762.5229 30789.60       607.1859 371.1589 4.893438 382.8368 3.777714 -11.67789 
6.181979 
1 1 1 4   12  6  o 17.88675 3.049446  63.08231       26.14735 120.0815       
38.50636 14.31294       35.61818 23.90806 3.836270 11.86543 4.741257 12.04263 
6.098892 
1 1 1 4   12  7  o 311.7851 2.776760  20400.82       348.8138 20500.93       
582.4814 20344.85       435.5448 312.3452 4.441895 311.2251 3.333338 1.120117 
5.553519 
1 1 1 4   12  8  o 289.9044 2.017212  17665.63       241.5358 17737.39       
314.8616 17563.01       376.5132 290.6319 2.580462 289.1768 3.101258 1.455109 
4.034425 
1 1 1 4   12  9  o 360.4659 2.980371  27091.47       418.4666 27864.09       
752.5190 26745.59       503.4951 364.0951 4.922931 356.8368 3.360831 7.258301 
5.960741 
1 1 1 4   12  10 o 398.4481 5.051036  33212.82       830.3033 32347.56       
1072.170 34509.18       1312.360 392.0982 6.513132 404.7979 7.722109 -12.69971 
10.10207 
1 1 1 4   12  11 o 247.2176 2.750023  12828.34       285.0709 13066.02       
415.1747 12616.32       392.1152 249.3781 3.965461 245.0571 3.811250 4.320969 
5.500046 
1 1 1 4   12  12 o 112.7629 1.802563  2672.891       85.24693 2556.573       
121.3370 2786.266       119.7925 110.3367 2.619355 115.1891 2.477077 -4.852325 
3.605126 
1 1 1 4   12  13 o 313.3917 4.231112  20617.21       554.2892 20219.42       
746.6279 21105.66       827.3373 310.0575 5.735655 316.7260 6.221857 -6.668488 
8.462225 
1 1 1 4   12  14 o 467.1290 4.611063  45918.89       903.7496 45749.89       
1255.131 46100.85       1302.367 466.2567 6.411878 468.0013 6.628379 -1.744629 
9.222125 
1 1 1 4   12  15 f 221.5103 4.146998  10279.54       383.4848 10713.69       
578.5364 9939.290       512.1672 225.6439 6.107003 217.3766 5.612031 8.267334 
8.293996 
1 1 1 4   12  16 o 60.82856 2.433556  760.1355       61.45514 915.1884       
95.55888 650.7762       80.25259 66.00102 3.448589 55.65609 3.434531 10.34493 
4.867111 
1 1 1 4   12  17 o 93.03575 2.256597  1815.414       87.94587 1861.384       
129.4059 1775.958       119.8873 94.12646 3.274639 91.94505 3.105745 2.181412 
4.513193 
1 1 1 4   12  18 o 285.2288 3.705182  17025.95       435.1728 17592.41       
691.1349 16653.85       560.1550 289.0749 5.694735 281.3827 4.741677 7.692200 
7.410365 
1 1 1 4   12  19 o 124.8093 1.762949  3271.488       92.24240 3261.222       
126.9673 3282.963       134.2370 124.6041 2.427061 125.0145 2.557602 
-0.4104004     3.525898 
1 1 1 4   12  20 f 79.94685 2.156104  1341.628       72.14955 1202.520       
100.1466 1491.745       104.0342 75.64011 3.153588 84.25360 2.941092 -8.613487 
4.312209 
1 1 1 4   12  21 o 293.2231 4.514449  18080.45       540.1833 18496.70       
877.9131 17826.84       685.2596 295.7234 7.071099 290.7229 5.614316 5.000458 
9.028897 
1 1 1 4   12  22 o 157.3274 2.705679  5207.305       178.5009 5261.437       
259.4378 5158.644       245.9767 158.0942 3.908755 156.5606 3.742248 1.533585 
5.411357 
1 1 1 4   12  23 o 203.6813 3.229692  8718.806       275.2093 8408.295       
371.3473 9097.161       409.9138 199.7004 4.429171 207.6623 4.701712 -7.961884 
6.459384 
1 1 1 4   12  24 o 148.6166 2.511099  4639.245       156.0256 4781.953       
232.9502 4523.139       210.1189 150.6655 3.682734 146.5677 3.414664 4.097809 
5.022197 
1 1 1 4   12  25 o 60.52196 2.427369  771.3448       61.67176 775.3951       
87.91818 767.4212       86.53240 60.67731 3.451226 60.36661 3.414311 0.3107033 
4.854738 
1 1 1 4   12  26 o 170.9860 2.145578  6051.546       151.1377 5664.853       
193.2678 6660.310       242.4939 164.1004 2.805246 177.8715 3.247248 -13.77109 
4.291156 
1 1 1 4   12  27 o 90.34985 2.093584  1715.949       79.36600 1640.641       
110.2790 1796.864       114.3105 88.29466 2.974949 92.40504 2.946534 -4.110382 
4.187169 
1 1 1 4   12  28 o 55.38013 2.777481  651.6918       64.11169 594.3459       
93.64799 702.2772       87.95480 53.05002 4.204690 57.71024 3.630177 -4.660217 
5.554962 
1 1 1 4   12  29 o 46.94627 3.266267  466.0931       64.15522 522.3535       
92.83743 414.6680       88.75833 49.66825 4.452105 44.22429 4.780456 5.443954 
6.532533 
1 1 1 4   12  30 o 66.60586 2.523478  937.1215       70.41116 854.8644       
98.12073 1024.448       101.0989 63.58054 3.675849 69.63117 3.458309 -6.050632 
5.046956 
1 1 1 4   12  31 o 162.8918 2.242197  5607.060       153.3351 5556.819       
216.6262 5657.509       217.0718 162.1567 3.181977 163.6268 3.159876 -1.470123 
4.484395 
1 1 1 4   12  32 o 108.3256 2.911608  2480.927       131.4044 2368.395       
173.7981 2631.106       200.7752 105.5471 3.922108 111.1040 4.304291 -5.556847 
5.823217 
1 1 1 4   12  33 o 56.11229 3.793021  671.7969       87.06917 722.2404       
141.9107 641.3440       110.2620 57.61554 5.866736 54.60903 4.809309 3.006508 
7.586043 
1 1 1 4   12  34 o 64.65369 3.363679  903.4023       91.24030 858.5970       
127.8759 949.8669       130.2227 62.99000 4.835464 66.31738 4.677138 -3.327381 
6.727357 
1 1 1 4   12  35 o 41.43470 5.679500  408.9977       95.89095 265.6805       
133.1362 563.4859       138.2276 32.78295 9.263705 50.08646 6.573482 -17.30351 
11.35900 
1 1 1 4   12  36 o 35.70567 6.331242  320.0770       94.89335 303.4401       
134.4626 336.5843       133.9378 34.66623 9.116745 36.74511 8.787688 -2.078884 
12.66248 
1 1 1 4   12  37 o 59.61089 3.905134  810.2639       95.94093 930.1177       
131.7803 675.0889       139.9499 64.82833 4.841797 54.39345 6.128399 10.43488 
7.810267 
1 1 1 4   12  38 o 21.31059 6.220870  52.07662       95.23891 -37.67920      
129.2114 158.8454       140.9261 17.28753 7.899809 25.33364 9.611966 -8.046103 
12.44174 
1 1 1 4   12  39 o 34.79367 11.03480  387.2282       180.6203 387.2282       
180.6203 0.000000       0.000000 34.79367 11.03480 ?        ?        ? ? 
1 1 1 4   12  40 o 31.57487 6.631681  296.8912       93.27619 262.5011       
121.6831 345.8912       145.2483 29.75296 8.987372 33.39679 9.754174 -3.643831 
13.26336 
1 1 1 4   13  0  o 192.8765 1.940884  7519.240       81.70897 8162.053       
308.7866 7470.841       84.72917 197.1076 3.731437 188.6454 1.069813 8.462219 
3.881768 
1 1 1 4   13  1  o 421.8487 1.999735  37436.39       350.0982 36945.09       
535.5423 37803.05       462.6455 419.4129 3.041397 424.2845 2.597241 -4.871643 
3.999469 
1 1 1 4   13  2  o 351.2237 1.856431  25911.55       273.5700 26107.45       
381.0048 25703.07       393.0491 352.5970 2.573789 349.8504 2.675996 2.746552 
3.712862 
1 1 1 4   13  3  o 315.1206 2.338216  20847.46       288.0911 20829.99       
348.7557 20885.01       511.1708 314.9470 2.637575 315.2943 3.861633 
-0.3472595     4.676432 
1 1 1 4   13  4  o 269.4405 2.279909  15252.63       233.9488 15237.86       
434.6225 15258.65       277.5964 269.3166 3.843883 269.5644 2.452858 
-0.2478333     4.559819 
1 1 1 4   13  5  f 288.4216 2.433658  17480.12       292.0445 17424.94       
443.3781 17522.40       388.1389 288.0070 3.666843 288.8363 3.200785 
-0.8293152     4.867316 
1 1 1 4   13  6  o 79.03548 1.498926  1307.211       49.64394 1206.802       
68.14806 1420.745       72.46490 75.81227 2.141091 82.25867 2.098298 -6.446404 
2.997853 
1 1 1 4   13  7  o 184.9647 2.142714  7192.155       165.9121 7090.047       
243.1305 7281.142       226.9724 183.7311 3.151939 186.1983 2.903477 -2.467148 
4.285429 
1 1 1 4   13  8  o 424.8240 3.378053  37451.50       537.8732 36880.67       
629.2917 38999.22       1036.212 419.0087 3.577256 430.6393 5.731336 -11.63065 
6.756107 
1 1 1 4   13  9  o 143.3884 1.430696  4309.817       85.36442 4369.601       
130.0647 4264.577       113.1434 144.2584 2.147530 142.5183 1.890948 1.740112 
2.861392 
1 1 1 4   13  10 o 476.5217 5.863020  47873.73       1169.623 48172.19       
1597.796 47529.16       1716.802 478.1945 7.958622 474.8488 8.611641 3.345734 
11.72604 
1 1 1 4   13  11 o 205.0973 2.518171  8816.976       213.3032 8944.387       
334.2082 8729.406       277.0740 206.3318 3.858086 203.8628 3.237270 2.469070 
5.036342 
1 1 1 4   13  12 o 68.28107 1.878235  976.1050       53.75900 912.6977       
73.78632 1047.844       78.48438 65.92476 2.665928 70.63738 2.646487 -4.712624 
3.756469 
1 1 1 4   13  13 o 219.7856 2.124754  10053.15       190.7415 10538.43       
311.0398 9760.667       241.4761 223.9849 3.307640 215.5863 2.667927 8.398621 
4.249508 
1 1 1 4   13  14 o 439.1296 12.41033  40875.07       2287.994 0.000000       
0.000000 40875.07       2287.994 ?        ?        439.1296 12.41033 ? ? 
1 1 1 4   13  15 o 195.4547 2.168690  8030.889       176.1907 7978.587       
268.3374 8070.525       233.6009 194.8859 3.279608 196.0234 2.838491 -1.137527 
4.337379 
1 1 1 4   13  16 o 36.39680 3.853997  284.1398       54.70095 413.0530       
81.28134 177.4203       73.95439 44.32733 4.367575 28.46627 6.351179 15.86106 
7.707995 
1 1 1 4   13  17 o 117.5748 1.762495  2904.369       86.58193 2893.005       
128.7922 2913.740       116.9529 117.3618 2.613869 117.7877 2.365005 
-0.4258957     3.524991 
1 1 1 4   13  18 o 176.6447 2.303459  6555.736       170.7518 6524.111       
237.6808 6589.467       245.4664 176.2070 3.212861 177.0825 3.301698 
-0.8755035     4.606917 
1 1 1 4   13  19 o 143.3142 2.404773  4315.467       144.6636 4400.130       
207.0508 4234.720       202.2056 144.6866 3.408551 141.9418 3.393157 2.744781 
4.809546 
1 1 1 4   13  20 o 59.50596 2.391729  744.5812       59.73127 738.4114       
85.39662 750.4910       83.57829 59.26323 3.432230 59.74870 3.331855 
-0.4854698     4.783457 
1 1 1 4   13  21 f 65.73935 2.110346  902.6354       57.65231 735.8833       
78.37817 1099.223       85.10153 59.16084 3.155599 72.31786 2.802934 -13.15702 
4.220693 
1 1 1 4   13  22 o 73.41231 2.062804  1130.113       63.39128 1013.874       
87.40221 1259.121       92.07804 69.43688 2.998149 77.38774 2.834033 -7.950859 
4.125608 
1 1 1 4   13  23 o 77.89164 2.101519  1277.822       68.63494 1227.216       
98.20763 1326.137       95.96033 76.37732 3.062682 79.40596 2.878457 -3.028641 
4.203039 
1 1 1 4   13  24 o 65.30226 2.388308  892.8549       65.22755 1010.463       
95.98102 791.9257       88.91507 69.28029 3.299869 61.32424 3.453538 7.956047 
4.776616 
1 1 1 4   13  25 o 36.10858 3.665962  275.9107       55.50135 292.8227       
78.62650 259.1150       78.35574 37.21988 5.031704 34.99728 5.332828 2.222603 
7.331923 
1 1 1 4   13  26 o 41.13453 3.238061  367.1162       53.66985 250.4216       
76.09127 482.6487       75.71142 34.41046 5.267026 47.85859 3.768101 -13.44814 
6.476121 
1 1 1 4   13  27 o 145.8106 1.911570  4465.680       116.8563 4352.651       
160.3135 4593.821       170.6942 143.8504 2.654483 147.7707 2.751385 -3.920319 
3.823140 
1 1 1 4   13  28 o 127.5975 1.856477  3413.382       99.23016 3244.452       
134.9363 3612.322       146.4328 124.1765 2.588276 131.0185 2.662116 -6.842010 
3.712955 
1 1 1 4   13  29 o 80.92866 2.168591  1369.975       73.37082 1265.507       
98.41171 1500.712       110.0920 77.48639 3.025119 84.37093 3.108021 -6.884537 
4.337181 
1 1 1 4   13  30 o 37.64867 3.899719  302.7421       61.45152 333.1314       
87.64965 273.3632       86.18011 39.53402 5.280806 35.76332 5.739714 3.770699 
7.799438 
1 1 1 4   13  31 o 103.1210 2.371348  2249.148       102.6555 2282.279       
145.1063 2215.953       145.2474 103.8874 3.326936 102.3547 3.380040 1.532738 
4.742696 
1 1 1 4   13  32 o 112.7690 3.373900  2719.989       156.5377 2720.366       
247.0961 2719.736       202.3144 112.5649 5.228581 112.9730 4.265530 
-0.4081039     6.747800 
1 1 1 4   13  33 o 52.46018 3.493813  598.0974       76.13780 540.3294       
112.3989 647.0810       103.5008 49.98177 5.356382 54.93859 4.487324 -4.956821 
6.987625 
1 1 1 4   13  34 o 30.73322 6.324140  226.4630       87.06438 195.9825       
127.9461 252.7484       118.8155 28.90490 9.299639 32.56155 8.572963 -3.656654 
12.64828 
1 1 1 4   13  35 o 44.97077 5.350355  481.1301       95.64146 366.5069       
139.8931 581.7261       131.0541 38.81220 8.788143 51.12934 6.105222 -12.31714 
10.70071 
1 1 1 4   13  36 o 47.44538 5.108914  523.9372       97.47358 653.6260       
142.0182 408.4348       134.0257 53.78051 6.289846 41.11026 8.052444 12.67025 
10.21783 
1 1 1 4   13  37 o 27.27690 6.505951  186.2050       88.38314 165.0462       
120.7537 210.6196       129.7118 25.92913 9.026937 28.62466 9.371447 -2.695538 
13.01190 
1 1 1 4   13  38 o 80.36176 3.874868  1464.510       130.6110 1429.003       
180.1241 1503.880       189.6690 79.42123 5.402021 81.30230 5.556669 -1.881073 
7.749735 
1 1 1 4   13  39 o 20.88958 6.253390  75.81708       95.00764 96.25533       
135.0335 55.78091       133.6987 21.69829 9.010777 20.08086 8.673261 1.617426 
12.50678 
1 1 1 4   13  40 o 18.55238 8.164030  41.15770       122.9287 0.000000       
0.000000 41.15770       122.9287 ?        ?        18.55238 8.164030 ? ? 
1 1 1 4   14  0  o 237.6210 2.904220  11913.17       233.5535 11783.17       
515.4019 11946.77       261.9972 236.7297 5.185781 238.5122 2.616418 -1.782455 
5.808440 
1 1 1 4   14  1  o 252.9436 1.641597  13376.64       150.4852 13319.94       
173.3082 13550.37       303.3838 251.8792 1.638883 254.0080 2.844894 -2.128830 
3.283193 
1 1 1 4   14  2  o 65.82558 1.364079  909.8754       37.69296 919.1354       
53.07630 900.4532       53.53848 66.16365 1.910743 65.48751 1.947281 0.6761398 
2.728157 
1 1 1 4   14  3  o 164.3663 1.445611  5518.452       80.12968 5933.084       
181.3672 5417.888       89.31989 168.0869 2.570075 160.6456 1.324343 7.441345 
2.891223 
1 1 1 4   14  4  o 376.1263 2.670322  29709.70       420.9675 29915.91       
614.3361 29527.16       578.0001 377.3480 3.877797 374.9046 3.672215 2.443359 
5.340643 
1 1 1 4   14  5  o 269.1412 2.096452  15095.67       226.2836 14824.36       
279.9166 15607.38       384.4188 265.6969 2.509361 272.5855 3.359100 -6.888611 
4.192904 
1 1 1 4   14  6  o 325.2183 2.793309  21802.69       325.6487 21429.01       
371.9569 23029.38       673.9198 319.4352 2.773518 331.0015 4.849526 -11.56631 
5.586618 
1 1 1 4   14  7  o 386.9182 3.743537  31405.76       577.0549 31255.53       
710.7450 31696.31       988.4554 385.6589 4.389666 388.1775 6.065238 -2.518555 
7.487074 
1 1 1 4   14  8  o 103.0027 1.592723  2189.003       66.97532 2071.629       
84.32259 2389.606       110.2368 99.33015 2.022013 106.6753 2.461409 -7.345192 
3.185447 
1 1 1 4   14  9  o 51.95100 1.986310  565.3604       43.24171 544.5899       
59.00156 589.4631       63.55840 50.92318 2.759745 52.97882 2.857536 -2.055637 
3.972620 
1 1 1 4   14  10 o 175.7597 1.732962  6442.966       124.1898 6668.647       
202.8902 6307.747       157.0476 178.1974 2.711945 173.3220 2.158235 4.875381 
3.465923 
1 1 1 4   14  11 o 140.7354 1.828709  4119.955       106.5532 4388.698       
167.2173 3936.238       138.2573 144.5590 2.755227 136.9119 2.405293 7.647049 
3.657418 
1 1 1 4   14  12 o 459.5799 3.734591  44355.01       690.8456 44619.32       
1156.395 44208.32       861.4749 460.5320 5.980914 458.6278 4.474075 1.904175 
7.469182 
1 1 1 4   14  13 o 240.8079 2.725894  12067.49       271.3889 12834.06       
427.8808 11551.54       351.0319 247.1283 4.124026 234.4875 3.565726 12.64079 
5.451788 
1 1 1 4   14  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   14  15 o 401.6833 3.923444  33952.54       659.1652 34025.29       
894.7941 33866.20       974.7275 402.1932 5.299189 401.1734 5.787248 1.019806 
7.846888 
1 1 1 4   14  16 o 228.4206 2.440838  10963.75       234.0126 10641.86       
330.0581 11289.11       331.8367 225.0466 3.493326 231.7947 3.409903 -6.748123 
4.881677 
1 1 1 4   14  17 o 145.8876 1.955266  4470.916       119.7182 4475.861       
167.2234 4465.716       171.4706 145.9717 2.728661 145.8035 2.801190 0.1681366 
3.910531 
1 1 1 4   14  18 o 252.3595 2.459547  13371.30       259.2371 13250.33       
348.5466 13521.07       387.8240 251.0986 3.306265 253.6204 3.642266 -2.521774 
4.919094 
1 1 1 4   14  19 o 222.5382 3.353961  10425.67       313.3065 10283.56       
445.0219 10565.34       441.1679 221.0276 4.795743 224.0489 4.690101 -3.021255 
6.707921 
1 1 1 4   14  20 o 178.0113 2.061456  6531.038       148.6715 6195.727       
185.0733 7141.088       249.6335 171.7186 2.567128 184.3041 3.226184 -12.58551 
4.122913 
1 1 1 4   14  21 o 91.15097 2.065018  1745.073       78.98241 1794.412       
114.0112 1699.544       109.5201 92.38780 2.939369 89.91414 2.901261 2.473663 
4.130037 
1 1 1 4   14  22 o 186.0271 2.955323  7290.230       230.7986 7269.735       
324.4016 7311.239       328.4330 185.7656 4.159478 186.2887 4.199343 
-0.5231476     5.910646 
1 1 1 4   14  23 o 106.3311 2.139490  2378.642       95.50911 2377.250       
134.7386 2380.049       135.4045 106.3003 3.019106 106.3619 3.032272 
-0.6154633E-01 4.278981 
1 1 1 4   14  24 o 56.63976 2.586991  677.1010       61.39695 648.5905       
88.38226 703.6910       85.35372 55.47762 3.794621 57.80189 3.517236 -2.324276 
5.173983 
1 1 1 4   14  25 o 77.74538 2.079940  1269.850       67.83749 1216.879       
93.80115 1327.935       98.22507 76.04839 2.937915 79.44238 2.945040 -3.393990 
4.159881 
1 1 1 4   14  26 o 55.30362 2.506310  644.2740       58.08910 643.3094       
84.67665 645.1315       79.83754 55.25884 3.649917 55.34840 3.435763 
-0.8956146E-01 5.012620 
1 1 1 4   14  27 o 213.7020 2.147321  9490.131       189.0673 9013.863       
242.3384 10230.94       302.2387 206.9830 2.788744 220.4209 3.266016 -13.43796 
4.294642 
1 1 1 4   14  28 o 89.83120 1.867385  1697.780       70.41798 1667.843       
98.65866 1728.869       100.5401 89.02427 2.639659 90.63813 2.642102 -1.613861 
3.734770 
1 1 1 4   14  29 o 66.72549 2.315285  937.5883       64.77827 969.9188       
94.52550 908.9599       88.94919 67.80358 3.320606 65.64741 3.227346 2.156174 
4.630571 
1 1 1 4   14  30 o 27.96309 4.826104  172.3147       57.01013 123.8358       
77.68024 228.9097       83.93111 23.81544 7.178184 32.11075 6.452813 -8.295315 
9.652208 
1 1 1 4   14  31 o 90.57609 2.291608  1731.099       87.02897 1796.816       
127.0999 1673.090       119.4144 92.18286 3.284098 88.96931 3.196962 3.213547 
4.583216 
1 1 1 4   14  32 o 19.83790 5.797314  -10.06335      84.38212 110.6515       
127.6922 -103.6438      112.4285 24.59863 9.193817 15.07717 7.064639 9.521462 
11.59463 
1 1 1 4   14  33 o 33.33895 6.117904  257.2031       86.59922 310.3723       
129.6267 214.3448       116.3809 36.37394 8.611011 30.30396 8.692842 6.069984 
12.23581 
1 1 1 4   14  34 f 87.76112 3.469301  1672.793       127.3803 1594.141       
185.0757 1743.585       175.5847 85.66010 5.146263 89.86214 4.654048 -4.202042 
6.938601 
1 1 1 4   14  35 o 25.11311 5.966678  126.6340       85.97244 -8.660687      
127.2082 240.3910       116.6443 18.77680 8.280578 31.44942 8.592847 -12.67263 
11.93336 
1 1 1 4   14  36 o 38.82346 4.947939  357.8022       76.87447 309.2504       
117.5375 394.0973       101.6242 35.64500 8.044636 42.00192 5.763007 -6.356918 
9.895879 
1 1 1 4   14  37 o 37.67720 6.212539  362.6781       97.04985 303.5152       
137.9663 420.6268       136.5432 34.09647 9.358212 41.25793 8.173521 -7.161461 
12.42508 
1 1 1 4   14  38 o 51.35637 4.803053  622.5151       103.5431 626.7916       
147.9218 618.4068       144.9866 51.48674 6.843177 51.22601 6.741529 0.2607307 
9.606107 
1 1 1 4   14  39 o 53.76293 4.491135  693.6650       100.5816 638.2901       
146.6283 742.8788       138.2307 51.23085 6.817221 56.29502 5.848647 -5.064175 
8.982270 
1 1 1 4   14  40 o 21.66327 5.996958  107.8606       87.81236 -1.186903      
132.1975 193.9694       117.4732 17.61972 8.031410 25.70681 8.907887 -8.087084 
11.99392 
1 1 1 4   15  0  o 228.1678 2.602940  10960.28       248.6317 10597.78       
361.9948 11284.01       342.0858 224.5802 3.839299 231.7554 3.515817 -7.175262 
5.205880 
1 1 1 4   15  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   15  2  o 324.3654 3.069966  22143.94       416.5746 21706.89       
612.2936 22520.58       568.4028 321.3638 4.538202 327.3670 4.135636 -6.003204 
6.139932 
1 1 1 4   15  3  o 167.1081 1.308240  5817.746       91.04410 5528.832       
120.1471 6207.381       139.5271 162.2748 1.763531 171.9413 1.932855 -9.666550 
2.616480 
1 1 1 4   15  4  o 106.9605 1.379503  2402.415       61.92509 2413.537       
86.52522 2390.737       88.66458 107.2147 1.922248 106.7064 1.979160 0.5083466 
2.759006 
1 1 1 4   15  5  f 105.3879 1.405158  2320.314       61.28097 2265.311       
79.73135 2399.705       95.79074 103.8715 1.828327 106.9044 2.134268 -3.032936 
2.810317 
1 1 1 4   15  6  o 232.4080 2.017153  11151.63       182.4297 11852.72       
331.1826 10846.24       218.5812 237.5431 3.320826 227.2729 2.290795 10.27028 
4.034306 
1 1 1 4   15  7  o 136.1715 1.450130  3893.700       82.87296 3882.211       
118.7264 3904.616       115.7311 135.9751 2.079740 136.3679 2.021432 
-0.3927917     2.900260 
1 1 1 4   15  8  o 59.42642 1.898258  735.5964       47.07825 859.2917       
69.85302 632.6504       63.72549 63.96729 2.601048 54.88555 2.765516 9.081734 
3.796515 
1 1 1 4   15  9  o 513.8669 4.374142  55265.38       831.5010 54940.77       
967.6664 56181.52       1625.620 511.2765 4.508073 516.4573 7.497315 -5.180817 
8.748283 
1 1 1 4   15  10 o 329.1058 2.547102  22702.36       348.4529 22392.77       
460.0006 23119.18       533.7581 326.4967 3.355836 331.7150 3.832661 -5.218353 
5.094205 
1 1 1 4   15  11 o 190.9303 1.827049  7642.219       142.1723 7600.189       
180.3134 7711.289       231.1486 190.2471 2.257517 191.6135 2.873335 -1.366409 
3.654099 
1 1 1 4   15  12 o 201.2868 1.671509  8436.702       139.9395 8018.505       
183.8694 9012.426       215.7375 195.4120 2.241193 207.1616 2.480489 -11.74966 
3.343019 
1 1 1 4   15  13 o 375.7690 5.092376  29718.16       802.7455 29084.73       
1109.181 30414.85       1163.256 371.5851 7.109924 379.9529 7.292335 -8.367767 
10.18475 
1 1 1 4   15  14 o 247.6790 2.390969  12864.46       230.7359 12824.78       
278.3367 12951.63       412.5613 247.1078 2.682904 248.2501 3.958404 -1.142288 
4.781938 
1 1 1 4   15  15 o 259.7075 2.498644  14091.65       265.0013 13832.83       
336.1777 14516.42       430.6725 256.6041 3.120516 262.8108 3.903238 -6.206726 
4.997288 
1 1 1 4   15  16 o 328.8427 3.012297  22710.40       413.2365 22512.08       
552.9280 22961.34       621.9517 327.2463 4.024528 330.4391 4.483182 -3.192719 
6.024595 
1 1 1 4   15  17 f 71.74841 1.938714  1081.504       58.35208 1079.354       
84.18258 1083.492       80.95653 71.67870 2.797391 71.81814 2.684966 
-0.1394424     3.877427 
1 1 1 4   15  18 o 43.23295 2.911434  393.8783       52.61295 349.1190       
73.97562 439.6944       74.84387 40.73833 4.325202 45.72756 3.898516 -4.989227 
5.822869 
1 1 1 4   15  19 o 185.6932 2.688109  7233.222       208.0681 7099.205       
276.9565 7406.867       315.2551 183.7429 3.590228 187.6435 4.001748 -3.900574 
5.376218 
1 1 1 4   15  20 o 308.0905 2.871215  19974.46       371.3322 20098.09       
530.2418 19855.47       520.1886 309.0208 4.087025 307.1602 4.033823 1.860565 
5.742430 
1 1 1 4   15  21 o 213.5996 3.271980  9613.506       293.2956 9678.479       
421.5826 9552.563       408.3015 214.2881 4.686036 212.9111 4.567764 1.377014 
6.543959 
1 1 1 4   15  22 o 205.0438 2.572275  8845.068       221.2098 8980.564       
321.1255 8722.712       305.1606 206.5263 3.703570 203.5613 3.570708 2.965027 
5.144549 
1 1 1 4   15  23 o 122.1614 2.161596  3134.982       110.3054 3189.709       
165.1024 3090.859       148.2462 123.1096 3.194350 121.2132 2.913094 1.896378 
4.323192 
1 1 1 4   15  24 o 64.57674 2.453869  874.1071       66.28424 775.8327       
90.64340 987.0604       97.17747 60.68861 3.557543 68.46487 3.380795 -7.776260 
4.907737 
1 1 1 4   15  25 o 139.6428 2.173035  4081.102       126.7865 4326.967       
190.7977 3886.688       169.6635 143.3768 3.169679 135.9088 2.973459 7.468048 
4.346070 
1 1 1 4   15  26 o 140.1114 1.852864  4124.126       108.9254 3998.669       
150.8525 4260.792       157.4466 137.8890 2.605817 142.3338 2.634793 -4.444778 
3.705727 
1 1 1 4   15  27 o 85.45049 1.881040  1535.613       67.47271 1566.546       
96.37558 1505.876       94.49389 86.29424 2.660151 84.60672 2.660235 1.687523 
3.762081 
1 1 1 4   15  28 o 167.1670 2.465366  5850.119       172.2447 5460.951       
230.5806 6341.454       259.0851 160.9386 3.412587 173.3953 3.558985 -12.45677 
4.930732 
1 1 1 4   15  29 o 125.3793 2.368990  3316.082       124.6243 3281.086       
172.8639 3353.957       179.8333 124.7003 3.301855 126.0583 3.397970 -1.358040 
4.737979 
1 1 1 4   15  30 o 67.03793 2.570467  952.9956       71.98128 839.7673       
101.4040 1067.996       102.1944 62.98534 3.834747 71.09052 3.424021 -8.105171 
5.140934 
1 1 1 4   15  31 o 83.76404 2.345453  1484.070       82.13329 1484.015       
111.1721 1484.135       121.8719 83.79153 3.160216 83.73654 3.466646 
0.5499268E-01  4.690906 
1 1 1 4   15  32 o 65.24379 3.649849  902.1086       98.83648 992.0614       
154.2693 839.4790       128.7248 67.89348 5.412186 62.59411 4.898350 5.299370 
7.299698 
1 1 1 4   15  33 o 45.83632 4.867776  460.4012       90.08870 588.2285       
136.8152 362.5516       119.7022 51.83596 6.286721 39.83668 7.433581 11.99928 
9.735553 
1 1 1 4   15  34 o 131.1941 3.500700  3696.310       188.1549 3892.659       
304.1112 3574.532       239.4974 133.5741 5.422895 128.8140 4.428521 4.760056 
7.001400 
1 1 1 4   15  35 o 18.51462 5.432440  24.41062       73.43233 -57.13001      
116.6779 77.89179       94.49355 16.42452 7.506049 20.60471 7.855245 -4.180189 
10.86488 
1 1 1 4   15  36 o 131.0513 3.385082  3756.447       185.0027 3845.402       
279.3705 3686.970       246.8956 132.1319 5.036096 129.9706 4.524693 2.161224 
6.770163 
1 1 1 4   15  37 o 19.67751 5.898672  14.43727       87.67157 111.7320       
131.9262 -62.51481      117.3266 23.36013 9.190458 15.99489 7.396810 7.365235 
11.79734 
1 1 1 4   15  38 o 24.24586 6.472890  137.3133       92.24595 89.26919       
133.2871 181.4810       127.7970 22.02397 9.026785 26.46774 9.279569 -4.443771 
12.94578 
1 1 1 4   15  39 o 32.13974 6.734009  296.6622       99.84946 367.1287       
142.1407 228.0146       140.2943 36.17731 9.306771 28.10216 9.735065 8.075150 
13.46802 
1 1 1 4   15  40 o 33.22304 6.586075  332.2919       100.9223 452.3801       
145.4767 220.8763       140.1252 39.76305 8.933083 26.68303 9.680164 13.08001 
13.17215 
1 1 1 4   16  0  f 61.46762 1.607849  791.1932       41.36649 766.4736       
56.00594 820.8673       61.36242 60.41484 2.208063 62.52040 2.337770 -2.105560 
3.215698 
1 1 1 4   16  1  o 234.2493 2.177178  11436.40       204.3062 11231.70       
252.4080 11825.31       347.9220 231.2561 2.599746 237.2424 3.493098 -5.986206 
4.354355 
1 1 1 4   16  2  o 172.7349 3.219228  6267.841       233.4591 0.000000       
0.000000 6267.841       233.4591 ?        ?        172.7349 3.219228 ? ? 
1 1 1 4   16  3  o 248.6169 4.837714  12995.26       504.9515 12995.26       
504.9515 0.000000       0.000000 248.6169 4.837714 ?        ?        ? ? 
1 1 1 4   16  4  o 451.2518 3.986340  42193.84       630.0182 41685.07       
713.3097 43998.74       1343.507 445.4105 3.814510 457.0932 7.000939 -11.68271 
7.972681 
1 1 1 4   16  5  o 132.6048 1.387406  3694.637       76.87355 3665.617       
114.1896 3718.691       103.9603 132.1266 2.058531 133.0830 1.860655 
-0.9563904     2.774813 
1 1 1 4   16  6  o 432.8057 3.264218  39164.44       571.9320 40164.43       
949.0934 38594.24       716.6737 437.0455 5.172534 428.5658 3.983135 8.479767 
6.528436 
1 1 1 4   16  7  o 209.9362 2.196097  9259.402       193.5170 9449.211       
272.9638 9067.604       274.3907 212.1014 3.065368 207.7711 3.145613 4.330292 
4.392193 
1 1 1 4   16  8  o 98.17999 1.568656  2025.402       64.58659 1911.541       
91.21745 2139.874       91.46151 95.41032 2.277213 100.9497 2.158015 -5.539352 
3.137312 
1 1 1 4   16  9  o 37.08775 2.706105  288.3487       42.02399 297.7396       
62.11803 280.4235       57.06481 37.64230 3.930634 36.53320 3.720504 1.109100 
5.412211 
1 1 1 4   16  10 o 345.3176 3.439977  25002.75       470.5249 24866.80       
575.9545 25275.56       815.8759 343.9987 3.987975 346.6364 5.606231 -2.637695 
6.879954 
1 1 1 4   16  11 o 301.5988 2.236389  19045.26       279.0733 18750.05       
363.6049 19468.46       435.3532 298.7804 2.898670 304.4171 3.406385 -5.636749 
4.472778 
1 1 1 4   16  12 o 191.4824 1.932960  7700.585       155.3881 7730.529       
220.7630 7671.183       218.7547 191.8510 2.740838 191.1137 2.726381 0.7372742 
3.865921 
1 1 1 4   16  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   16  14 o 117.5173 1.866774  2890.906       91.40175 2977.412       
138.9557 2824.934       121.3491 119.0580 2.779961 115.9765 2.492226 3.081497 
3.733547 
1 1 1 4   16  15 o 215.2621 1.999215  9736.529       180.2420 9770.959       
246.7113 9697.114       263.9637 215.6758 2.724636 214.8484 2.926396 0.8273773 
3.998429 
1 1 1 4   16  16 f 229.6588 3.172316  11055.75       304.9109 11549.38       
453.0223 10646.94       412.2711 234.3172 4.605072 225.0003 4.364363 9.316940 
6.344632 
1 1 1 4   16  17 o 80.67485 2.060354  1367.518       69.77136 1332.462       
98.35966 1403.022       98.98656 79.63346 2.941999 81.71625 2.885286 -2.082787 
4.120708 
1 1 1 4   16  18 o 178.7678 2.126529  6681.689       157.4019 6919.586       
245.6236 6515.921       205.0342 181.4386 3.224493 176.0970 2.773290 5.341629 
4.253057 
1 1 1 4   16  19 o 219.6582 2.103279  10141.23       193.9601 10239.55       
275.2243 10044.21       273.3868 220.7164 2.970115 218.6001 2.978848 2.116287 
4.206557 
1 1 1 4   16  20 o 143.7112 1.599608  4284.477       94.42824 4089.322       
120.3819 4596.604       152.2428 139.5221 2.055130 147.9002 2.451822 -8.378159 
3.199217 
1 1 1 4   16  21 o 97.69751 1.957539  2004.667       80.25086 1934.305       
111.4339 2080.479       115.6682 95.91846 2.767173 99.47657 2.769582 -3.558113 
3.915077 
1 1 1 4   16  22 o 84.07271 2.024929  1486.643       71.46594 1514.210       
101.2425 1459.265       100.8946 84.85076 2.842028 83.29465 2.885172 1.556107 
4.049858 
1 1 1 4   16  23 o 46.59113 2.849508  464.1799       54.77536 552.7049       
76.58062 371.4489       78.37879 51.22657 3.560776 41.95570 4.449679 9.270866 
5.699015 
1 1 1 4   16  24 o 79.33781 1.864088  1310.400       61.72875 1522.550       
92.34476 1139.027       82.99682 85.08682 2.585062 73.58879 2.686401 11.49803 
3.728176 
1 1 1 4   16  25 o 206.3369 2.679027  8931.060       230.3154 8658.193       
305.3690 9291.069       350.7582 202.7392 3.587635 209.9347 3.979649 -7.195465 
5.358053 
1 1 1 4   16  26 o 187.4632 2.664186  7355.792       207.5881 7068.832       
272.6199 7751.770       320.2451 183.1843 3.544790 191.7422 3.978194 -8.557938 
5.328373 
1 1 1 4   16  27 o 26.30640 4.634124  154.8804       52.71527 97.30905       
76.18166 207.7724       73.02010 21.81370 7.181945 30.79911 5.858335 -8.985407 
9.268249 
1 1 1 4   16  28 o 168.3477 2.692524  5953.095       189.6422 5638.468       
255.5544 6338.706       282.9174 163.4432 3.724240 173.2523 3.889572 -9.809097 
5.385047 
1 1 1 4   16  29 o 26.31238 5.081618  153.2006       59.49123 103.3670       
84.52822 202.1137       83.74387 22.51381 7.565154 30.11094 6.786737 -7.597128 
10.16324 
1 1 1 4   16  30 o 80.65308 2.166211  1373.076       73.34951 1377.896       
103.6666 1368.244       103.7973 80.79590 3.056122 80.51027 3.070829 0.2856293 
4.332421 
1 1 1 4   16  31 o 69.34430 3.520234  1026.710       101.9110 1032.911       
152.5551 1021.712       136.9521 69.47058 5.230544 69.21803 4.712707 0.2525558 
7.040469 
1 1 1 4   16  32 o 19.87845 5.931343  21.17935       84.58433 3.726049       
128.1096 34.66776       112.6220 19.78059 8.516130 19.97631 8.258258 
-0.1957188     11.86269 
1 1 1 4   16  33 o 161.9263 4.124150  5715.607       277.7600 5690.833       
421.5206 5734.620       369.2689 161.2007 6.228351 162.6520 5.407598 -1.451355 
8.248301 
1 1 1 4   16  34 o 48.58666 4.006379  515.2619       81.51321 545.3348       
120.6780 490.0287       110.5419 49.84878 5.766267 47.32454 5.563673 2.524235 
8.012757 
1 1 1 4   16  35 o 81.78970 3.352087  1425.414       113.4490 1640.971       
179.9580 1283.243       146.1491 86.68301 4.944910 76.89639 4.527009 9.786621 
6.704173 
1 1 1 4   16  36 o 52.44321 4.402979  626.3015       95.92168 546.0567       
138.4991 700.2748       132.9768 48.86136 6.751536 56.02505 5.653464 -7.163692 
8.805958 
1 1 1 4   16  37 o 34.14491 5.995376  281.0487       87.21531 418.7031       
136.3609 185.7548       113.4560 41.12046 8.189089 27.16936 8.758821 13.95109 
11.99075 
1 1 1 4   16  38 o 45.07544 5.087798  485.2052       96.01924 505.2313       
142.0423 468.3534       130.2998 45.77608 7.390948 44.37480 6.994044 1.401279 
10.17560 
1 1 1 4   16  39 o 39.97575 6.019990  425.9289       97.73022 441.3961       
144.2218 412.7959       132.8948 40.41553 8.746902 39.53597 8.273623 0.8795586 
12.03998 
1 1 1 4   16  40 o 20.45707 5.921587  67.96146       87.64242 -34.82214      
121.0549 181.1823       127.0527 16.08587 7.467367 24.82826 9.192344 -8.742392 
11.84317 
1 1 1 4   17  0  o 231.7399 1.828145  11275.50       171.8383 11262.17       
216.6013 11298.15       282.2669 231.5732 2.227890 231.9066 2.899132 
-0.3333435     3.656290 
1 1 1 4   17  1  o 184.8592 2.175350  7150.680       167.0681 6988.948       
219.7612 7372.148       257.1629 182.4021 2.869738 187.3163 3.270045 -4.914246 
4.350700 
1 1 1 4   17  2  o 284.3983 3.254858  17007.15       388.6275 16915.04       
548.2147 17100.21       551.0005 283.6241 4.603929 285.1725 4.602200 -1.548370 
6.509717 
1 1 1 4   17  3  o 304.1121 3.617395  19153.70       442.9663 18439.78       
548.4125 20493.75       751.3509 296.1626 4.410605 312.0615 5.734871 -15.89890 
7.234789 
1 1 1 4   17  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   17  5  o 83.39162 1.920083  1460.033       66.98875 1454.134       
90.92391 1467.038       99.07253 83.20924 2.602721 83.57401 2.823600 
-0.3647766     3.840166 
1 1 1 4   17  6  o 184.4156 2.025801  7081.147       137.2240 7016.106       
158.9348 7271.624       271.9874 182.7921 2.071012 186.0390 3.482297 -3.246933 
4.051603 
1 1 1 4   17  7  o 115.5799 1.580947  2800.193       76.60925 2714.829       
105.0662 2897.100       111.9443 113.7031 2.200958 117.4567 2.270101 -3.753670 
3.161895 
1 1 1 4   17  8  o 230.9426 2.470508  11197.51       237.0447 11261.36       
362.7914 11149.95       313.1285 231.5025 3.732694 230.3828 3.237381 1.119736 
4.941016 
1 1 1 4   17  9  o 100.5381 1.643522  2122.273       69.36351 2076.382       
97.42890 2169.440       98.77459 99.43599 2.333809 101.6401 2.314734 -2.204140 
3.287044 
1 1 1 4   17  10 o 278.2571 2.501900  16154.29       270.4958 16568.88       
488.3257 15970.78       324.8939 280.7668 4.142714 275.7475 2.806409 5.019257 
5.003800 
1 1 1 4   17  11 o 316.3780 3.237839  20970.00       429.2037 19868.48       
584.7404 22256.68       631.9797 307.4080 4.530739 325.3481 4.626749 -17.94012 
6.475678 
1 1 1 4   17  12 o 209.2298 2.262168  9162.834       193.4312 9049.844       
246.0246 9345.750       313.0269 207.5660 2.823211 210.8936 3.535406 -3.327591 
4.524336 
1 1 1 4   17  13 f 154.0587 3.849509  4988.526       248.9835 4988.526       
248.9835 0.000000       0.000000 154.0587 3.849509 ?        ?        ? ? 
1 1 1 4   17  14 o 372.4423 4.704102  29223.55       733.5606 29057.51       
999.9298 29417.05       1079.451 371.3506 6.413668 373.5340 6.883254 -2.183441 
9.408204 
1 1 1 4   17  15 o 81.99525 1.839652  1410.393       63.25876 1319.985       
87.86176 1507.698       91.15171 79.26984 2.640055 84.72066 2.562693 -5.450821 
3.679305 
1 1 1 4   17  16 o 228.5973 2.459265  10978.79       232.1110 10953.60       
301.8560 11015.24       363.0629 228.3043 3.149247 228.8903 3.778119 
-0.5859680     4.918530 
1 1 1 4   17  17 f 207.4594 2.430784  9034.005       209.8372 9153.029       
319.6925 8943.911       278.1374 208.6385 3.649715 206.2803 3.211609 2.358231 
4.861569 
1 1 1 4   17  18 o 90.38693 1.939031  1702.223       73.23787 1566.726       
97.97589 1873.816       110.2562 86.34647 2.702687 94.42739 2.781161 -8.080925 
3.878063 
1 1 1 4   17  19 o 238.3580 2.200831  11861.56       215.9516 11534.69       
277.4729 12363.71       343.9170 234.2566 2.821304 242.4594 3.378592 -8.202774 
4.401663 
1 1 1 4   17  20 o 72.18761 2.097330  1091.677       63.44555 1176.126       
93.01122 1018.190       86.76517 74.78898 2.962230 69.58624 2.969909 5.202744 
4.194659 
1 1 1 4   17  21 o 100.0668 2.074056  2106.076       87.11338 2102.421       
124.5152 2109.579       121.9196 99.97964 2.966415 100.1540 2.899521 
-0.1744080     4.148112 
1 1 1 4   17  22 o 65.67657 2.353915  905.6679       64.81541 971.6206       
94.25745 846.5084       89.27133 67.94032 3.304526 63.41283 3.353173 4.527481 
4.707829 
1 1 1 4   17  23 o 82.76999 1.893075  1441.154       65.74805 1433.906       
94.42566 1447.975       91.60220 82.56510 2.724047 82.97488 2.629543 
-0.4097824     3.786150 
1 1 1 4   17  24 o 208.1801 3.192037  9118.541       277.6626 9438.016       
416.2923 8862.517       372.6679 211.4087 4.690256 204.9515 4.331038 6.457230 
6.384074 
1 1 1 4   17  25 o 164.4746 2.164572  5677.011       149.1570 5458.120       
203.1479 5933.033       219.7032 161.0522 3.004462 167.8970 3.116840 -6.844879 
4.329144 
1 1 1 4   17  26 o 43.17968 3.438066  398.2845       61.22547 312.1190       
86.34906 485.4019       86.82467 38.40113 5.355927 47.95824 4.312221 -9.557106 
6.876132 
1 1 1 4   17  27 o 61.53217 2.587562  796.7625       66.55540 698.5432       
91.94157 904.8923       96.46864 57.54499 3.805620 65.51934 3.507016 -7.974350 
5.175124 
1 1 1 4   17  28 o 78.47787 2.173618  1297.930       71.61378 1311.092       
101.6794 1284.975       100.8797 78.87297 3.070619 78.08279 3.077298 0.7901840 
4.347236 
1 1 1 4   17  29 o 43.14933 3.500375  395.6462       63.38908 401.7173       
91.10457 389.9490       88.25474 43.46542 4.992491 42.83325 4.907701 0.6321716 
7.000750 
1 1 1 4   17  30 o 59.87448 2.771010  759.6771       69.62873 787.9626       
98.91081 731.8902       98.03481 60.98728 3.863008 58.76168 3.973810 2.225597 
5.542021 
1 1 1 4   17  31 o 42.87490 5.169185  416.0581       88.87260 343.0120       
132.0201 476.5917       120.1821 38.74543 8.354217 47.00438 6.090071 -8.258953 
10.33837 
1 1 1 4   17  32 o 92.06468 2.653719  1800.843       102.0989 1819.266       
152.1781 1785.761       137.6863 92.43812 3.921229 91.69125 3.576711 0.7468643 
5.307437 
1 1 1 4   17  33 o 66.62139 3.572711  956.9232       99.09507 976.3079       
150.7293 942.1664       131.5114 67.09850 5.350643 66.14429 4.735787 0.9542084 
7.145422 
1 1 1 4   17  34 o 58.17581 4.083047  752.6727       98.34619 646.0114       
143.4586 847.2441       135.0839 53.97640 6.330586 62.37522 5.158370 -8.398819 
8.166095 
1 1 1 4   17  35 o 27.01584 6.504772  172.2261       88.55335 154.8962       
132.2637 186.3056       119.2167 26.19275 9.414310 27.83892 8.978809 -1.646164 
13.00954 
1 1 1 4   17  36 o 31.63414 6.357936  255.1333       90.04282 204.0185       
132.8683 298.5455       122.4485 28.57775 9.484786 34.69054 8.469489 -6.112787 
12.71587 
1 1 1 4   17  37 o 96.12779 3.490990  2048.790       140.1880 2069.725       
209.1603 2031.715       188.8963 96.31950 5.172329 95.93607 4.689890 0.3834305 
6.981981 
1 1 1 4   17  38 o 18.04691 5.713822  -7.678141      89.65971 -34.92379      
134.5520 14.08198       120.2465 17.69014 8.074471 18.40369 8.086654 
-0.7135506     11.42764 
1 1 1 4   17  39 o 32.60590 6.577533  302.2911       94.11282 306.3162       
141.0511 299.0613       126.3503 32.44866 9.651054 32.76314 8.939404 
-0.3144798     13.15507 
1 1 1 4   17  40 o 45.32320 4.934957  518.5369       93.24739 541.7411       
141.1793 500.5810       124.1915 45.80233 7.341833 44.84408 6.596414 0.9582520 
9.869913 
1 1 1 4   18  0  o 95.28969 1.506864  1898.636       59.94055 1832.908       
80.01765 1982.677       90.48090 93.42086 2.040154 97.15852 2.218182 -3.737656 
3.013728 
1 1 1 4   18  1  o 143.2507 1.976082  4310.589       118.2996 4305.106       
159.7809 4317.241       175.9935 143.1554 2.658509 143.3460 2.924369 
-0.1905670     3.952164 
1 1 1 4   18  2  o 120.0377 1.916687  3024.593       96.54818 2900.978       
134.6393 3155.441       138.5229 117.5143 2.728992 122.5612 2.692092 -5.046844 
3.833374 
1 1 1 4   18  3  o 151.1458 2.113602  4789.637       133.4340 4894.072       
200.0081 4705.874       179.1229 152.6219 3.121419 149.6697 2.850614 2.952164 
4.227204 
1 1 1 4   18  4  o 270.9409 3.616932  15483.29       401.6431 15268.03       
639.4266 15623.57       516.1788 269.3125 5.655295 272.5694 4.510702 -3.256927 
7.233864 
1 1 1 4   18  5  o 101.8711 1.948600  2182.718       81.85611 2164.630       
128.1782 2195.175       106.3717 101.5079 3.007705 102.2343 2.478282 
-0.7263031     3.897201 
1 1 1 4   18  6  o 246.1757 5.126041  12749.49       529.7930 12749.49       
529.7930 0.000000       0.000000 246.1757 5.126041 ?        ?        ? ? 
1 1 1 4   18  7  o 260.9772 3.595714  14364.15       390.2834 14052.78       
590.4642 14605.72       520.0964 258.4186 5.442404 263.5357 4.700731 -5.117065 
7.191428 
1 1 1 4   18  8  o 127.1320 1.589658  3393.386       84.21684 3387.353       
112.4074 3401.105       127.1521 127.0064 2.108096 127.2575 2.379913 
-0.2511139     3.179317 
1 1 1 4   18  9  o 162.4648 2.234859  5520.502       148.7104 5434.678       
189.7231 5657.242       239.4778 160.8490 2.809460 164.0807 3.476394 -3.231644 
4.469718 
1 1 1 4   18  10 o 169.3010 2.072412  6008.087       144.4497 5954.888       
186.4057 6088.053       228.5385 168.3768 2.636926 170.2251 3.197841 -1.848282 
4.144824 
1 1 1 4   18  11 o 216.4748 2.717283  9685.504       237.2544 10432.19       
401.4378 9284.686       294.1184 222.7442 4.292723 210.2054 3.332724 12.53879 
5.434566 
1 1 1 4   18  12 f 101.0339 2.263435  2117.371       89.12045 2218.389       
160.8146 2072.595       107.0650 102.7335 3.728503 99.33424 2.567258 3.399277 
4.526869 
1 1 1 4   18  13 o 253.4300 2.964800  13478.77       297.0476 13586.26       
516.6730 13425.70       363.0470 254.1095 4.843017 252.7505 3.421307 1.358978 
5.929600 
1 1 1 4   18  14 o 188.3794 1.802146  7453.104       138.1947 7460.125       
224.9230 7448.847       175.1544 188.4347 2.843114 188.3242 2.215317 0.1104889 
3.604293 
1 1 1 4   18  15 o 474.9911 3.786626  47430.57       731.6504 47876.52       
1195.164 47163.28       925.2944 476.5803 5.973274 473.4019 4.655550 3.178436 
7.573252 
1 1 1 4   18  16 f 254.2436 3.371233  13590.35       359.5729 13133.52       
496.8190 14092.88       521.0733 249.7675 4.737873 258.7196 4.797229 -8.952164 
6.742466 
1 1 1 4   18  17 o 116.4226 1.947084  2848.260       95.15974 2839.069       
133.4959 2857.756       135.6832 116.2325 2.735656 116.6127 2.771412 
-0.3802414     3.894167 
1 1 1 4   18  18 o 239.1842 2.919615  12049.50       292.6152 11932.78       
426.1732 12153.59       402.4830 238.0656 4.263936 240.3029 3.989419 -2.237305 
5.839230 
1 1 1 4   18  19 o 74.44679 1.976175  1166.195       61.66922 1088.904       
87.08376 1243.948       87.34371 71.96667 2.882218 76.92691 2.704422 -4.960243 
3.952351 
1 1 1 4   18  20 o 102.0112 1.739571  2183.279       74.43351 2078.250       
102.7729 2299.150       107.9474 99.43555 2.461831 104.5869 2.458419 -5.151329 
3.479143 
1 1 1 4   18  21 o 161.2622 1.772717  5458.704       119.6658 5359.916       
162.4549 5575.892       176.9371 159.6777 2.423315 162.8467 2.587981 -3.168976 
3.545434 
1 1 1 4   18  22 o 19.08589 3.979416  44.46172       45.00002 -59.91254      
62.27663 158.5011       65.09623 11.34279 5.300315 26.82899 5.937144 -15.48620 
7.958832 
1 1 1 4   18  23 o 60.38951 2.285036  765.8142       57.79091 693.4318       
79.75507 845.8327       83.85649 57.38835 3.310211 63.39068 3.150884 -6.002331 
4.570073 
1 1 1 4   18  24 o 75.81554 2.131418  1209.990       67.72787 1217.216       
93.25784 1201.924       98.52216 76.06084 2.920420 75.57024 3.105305 0.4906082 
4.262836 
1 1 1 4   18  25 o 88.58026 2.227586  1650.377       82.79977 1614.261       
114.8822 1689.418       119.4441 87.57452 3.124612 89.58601 3.175744 -2.011490 
4.455171 
1 1 1 4   18  26 o 122.2490 2.284118  3148.731       117.1693 3077.917       
167.1532 3217.140       164.2888 120.8894 3.293424 123.6087 3.165776 -2.719322 
4.568236 
1 1 1 4   18  27 o 108.5746 2.216045  2468.106       100.4814 2628.617       
151.7196 2342.695       134.1086 111.6866 3.235652 105.4627 3.028858 6.223915 
4.432091 
1 1 1 4   18  28 o 40.87002 4.154702  375.9010       63.45463 587.5927       
92.57314 188.2894       87.14908 52.69734 4.184247 29.04269 7.179015 23.65465 
8.309403 
1 1 1 4   18  29 o 123.0943 2.253939  3179.700       115.7450 3042.269       
153.9104 3358.601       175.6026 120.0790 3.052967 126.1097 3.316680 -6.030724 
4.507879 
1 1 1 4   18  30 o 79.07613 2.127147  1320.578       70.59505 1308.914       
100.8961 1331.763       98.80949 78.72716 3.052608 79.42509 2.963207 
-0.6979370     4.254293 
1 1 1 4   18  31 o 60.81643 3.495540  789.7055       88.61404 804.5807       
134.0505 778.1601       118.0982 61.26017 5.212084 60.37268 4.659332 0.8874855 
6.991080 
1 1 1 4   18  32 o 19.83711 5.789049  -9.226887      84.73536 114.7762       
127.3304 -107.7941      113.5225 24.66482 9.188270 15.00940 7.044717 9.655421 
11.57810 
1 1 1 4   18  33 o 60.99632 3.837143  813.3329       97.51998 758.0359       
143.7187 860.5187       132.7604 58.91081 5.810845 63.08182 5.012857 -4.171009 
7.674285 
1 1 1 4   18  34 o 23.60001 6.173769  112.1593       81.13703 101.0338       
112.6188 124.1666       116.9966 22.87391 8.617306 24.32610 8.843288 -1.452194 
12.34754 
1 1 1 4   18  35 o 31.50707 6.281923  247.7132       89.21043 180.6995       
131.2036 305.3336       121.6613 27.54678 9.425183 35.46735 8.307595 -7.920567 
12.56385 
1 1 1 4   18  36 o 77.34908 3.523886  1323.022       113.9244 1276.227       
167.1823 1363.590       155.6608 75.86447 5.248955 78.83369 4.703146 -2.969215 
7.047773 
1 1 1 4   18  37 o 28.63060 6.161685  208.6421       80.52212 225.6548       
118.3701 193.9885       109.8568 29.60628 8.848352 27.65492 8.577419 1.951359 
12.32337 
1 1 1 4   18  38 o 22.33428 6.287493  104.7814       88.29445 102.6088       
125.4313 106.9153       124.3107 22.25040 8.894675 22.41816 8.889040 
-0.1677589     12.57499 
1 1 1 4   18  39 o 50.21412 5.257874  653.4414       102.5898 483.2437       
150.9995 799.3561       139.8131 42.04724 8.834176 58.38099 5.704236 -16.33375 
10.51575 
1 1 1 4   18  40 o 21.86003 6.022941  124.1136       81.35217 86.30128       
122.6746 153.7959       108.6894 20.26353 8.511535 23.45654 8.523911 -3.193014 
12.04588 
1 1 1 4   19  0  o 185.9665 1.937479  7233.191       146.3805 7133.854       
184.3938 7402.472       240.7110 184.2725 2.383455 187.6605 3.055232 -3.388031 
3.874958 
1 1 1 4   19  1  o 127.2070 1.733238  3343.604       90.50117 3657.777       
146.7283 3150.689       114.9770 131.9423 2.648810 122.4717 2.236126 9.470604 
3.466476 
1 1 1 4   19  2  o 173.1989 2.334893  6294.209       169.5368 6504.560       
247.8941 6109.364       232.3796 175.9089 3.356599 170.4889 3.246557 5.420029 
4.669785 
1 1 1 4   19  3  o 94.30387 1.852459  1868.299       73.34266 1865.515       
103.6818 1871.088       103.7626 94.23352 2.620707 94.37422 2.618837 
-0.1407013     3.704917 
1 1 1 4   19  4  o 152.6967 2.227661  4897.858       142.5444 4869.351       
195.4467 4930.254       208.3476 152.2269 3.058144 153.1665 3.240006 
-0.9395447     4.455321 
1 1 1 4   19  5  o 64.18202 1.951399  865.3829       52.57726 849.2775       
74.13194 881.6841       74.58105 63.58084 2.777155 64.78320 2.742125 -1.202351 
3.902799 
1 1 1 4   19  6  f 365.2942 3.760855  28336.29       528.0172 27478.57       
957.9927 28710.55       632.8162 361.0744 6.319557 369.5140 4.079132 -8.439667 
7.521709 
1 1 1 4   19  7  o 248.2538 4.317438  12961.25       449.9881 0.000000       
0.000000 12961.25       449.9881 ?        ?        248.2538 4.317438 ? ? 
1 1 1 4   19  8  o 160.7211 3.712343  5429.872       250.4955 5429.872       
250.4955 0.000000       0.000000 160.7211 3.712343 ?        ?        ? ? 
1 1 1 4   19  9  o 200.8399 3.098859  8324.085       242.2783 8070.418       
290.2007 8907.598       440.1413 195.9532 3.527501 205.7265 5.095924 -9.773285 
6.197718 
1 1 1 4   19  10 o 118.9869 1.916433  2976.057       95.57096 2941.354       
138.8500 3007.301       131.7452 118.3245 2.795067 119.6494 2.622681 -1.324852 
3.832865 
1 1 1 4   19  11 o 125.3024 2.045956  3289.125       106.9849 3384.041       
161.3322 3214.625       142.9323 126.9059 3.028029 123.6990 2.752234 3.206993 
4.091913 
1 1 1 4   19  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   19  13 o 104.2608 2.056237  2288.632       89.08411 2251.916       
135.4916 2316.591       118.2326 103.5150 3.117671 105.0065 2.681896 -1.491554 
4.112473 
1 1 1 4   19  14 o 129.8157 1.965712  3429.936       101.0600 3871.676       
179.5872 3225.223       122.2544 135.7223 3.151702 123.9091 2.350079 11.81324 
3.931424 
1 1 1 4   19  15 o 228.5908 2.518456  11016.67       233.4356 10877.40       
382.2679 11099.48       294.7818 227.3831 4.004338 229.7985 3.055445 -2.415466 
5.036911 
1 1 1 4   19  16 o 245.8527 3.004500  12601.24       287.9269 13050.06       
517.8332 12400.38       346.4127 248.8698 4.956084 242.8355 3.397838 6.034332 
6.009000 
1 1 1 4   19  17 o 71.00513 2.098141  1051.844       62.30719 1171.425       
92.88593 954.0193       84.01215 74.64625 2.963897 67.36401 2.970539 7.282234 
4.196282 
1 1 1 4   19  18 o 244.6597 1.999793  12592.04       204.6715 12676.49       
278.3939 12492.71       301.9357 245.5694 2.700266 243.7500 2.950468 1.819397 
3.999587 
1 1 1 4   19  19 o 88.91240 1.978335  1609.565       72.01719 1441.838       
90.54278 1898.425       118.8221 82.81684 2.604091 95.00795 2.978916 -12.19111 
3.956670 
1 1 1 4   19  20 o 181.0833 2.400369  6899.253       182.2484 6841.773       
250.9024 6963.453       265.1649 180.2968 3.314651 181.8697 3.472775 -1.572845 
4.800737 
1 1 1 4   19  21 o 155.5097 2.068290  5055.172       134.0074 5342.951       
204.6526 4839.163       177.3057 159.3428 3.059187 151.6765 2.784360 7.666245 
4.136579 
1 1 1 4   19  22 o 91.33524 2.007706  1742.116       76.62080 1526.750       
103.8685 1999.209       113.4854 85.18365 2.904347 97.48682 2.772779 -12.30316 
4.015412 
1 1 1 4   19  23 o 109.1425 2.023312  2504.341       92.64854 2461.552       
128.2545 2551.036       133.9827 108.1714 2.824108 110.1137 2.898202 -1.942307 
4.046624 
1 1 1 4   19  24 o 53.03544 2.756279  593.0505       61.28841 553.7675       
86.14058 633.3234       87.21928 51.25032 4.003430 54.82056 3.789572 -3.570236 
5.512559 
1 1 1 4   19  25 f 73.01891 2.148117  1114.402       65.62138 1021.706       
88.53310 1227.419       97.75613 69.67332 3.026636 76.36449 3.049114 -6.691170 
4.296233 
1 1 1 4   19  26 o 103.4308 1.785749  2249.760       77.47732 2265.909       
112.1000 2234.991       107.2029 103.7820 2.572792 103.0797 2.477163 0.7022705 
3.571498 
1 1 1 4   19  27 o 54.08697 2.899006  618.5623       65.70772 667.0525       
93.53613 571.3196       92.32520 56.19252 3.964806 51.98141 4.230515 4.211113 
5.798012 
1 1 1 4   19  28 o 53.45888 2.727151  604.1591       61.19875 618.5945       
87.27804 590.1967       85.83617 54.08825 3.843466 52.82950 3.870035 1.258751 
5.454301 
1 1 1 4   19  29 o 89.59121 2.417861  1686.987       90.68434 1538.426       
123.3061 1861.998       133.8339 85.31483 3.442556 93.86759 3.396029 -8.552765 
4.835722 
1 1 1 4   19  30 o 137.1022 3.198208  4010.854       182.9790 3907.701       
272.1344 4095.972       247.2014 135.3746 4.788144 138.8298 4.241206 -3.455185 
6.396417 
1 1 1 4   19  31 o 24.12368 6.017986  112.9277       76.23813 151.7247       
114.4194 81.95089       102.2397 26.46778 8.801705 21.77957 8.209422 4.688210 
12.03597 
1 1 1 4   19  32 o 62.42815 3.747288  843.5913       97.66280 823.9121       
144.9610 859.9477       132.1574 61.65732 5.599993 63.19897 4.980839 -1.541653 
7.494577 
1 1 1 4   19  33 o 52.30216 4.259974  584.4836       91.28158 796.3273       
140.8708 431.1557       119.8461 60.43017 5.552496 44.17416 6.462145 16.25601 
8.519949 
1 1 1 4   19  34 o 69.62607 3.330384  1024.263       95.72196 1206.772       
153.4516 908.0088       122.4708 74.47218 4.907929 64.77996 4.503116 9.692215 
6.660767 
1 1 1 4   19  35 o 110.1691 2.941152  2620.383       134.5961 2672.848       
206.6193 2581.707       177.3997 110.8948 4.437933 109.4434 3.860862 1.451370 
5.882305 
1 1 1 4   19  36 o 69.28687 3.726537  1076.013       107.2699 948.0142       
155.9617 1190.926       147.7744 65.00437 5.714740 73.56936 4.784354 -8.564987 
7.453073 
1 1 1 4   19  37 o 20.60649 5.963485  38.74493       91.44257 -90.16642      
135.7059 145.9546       123.7571 16.47573 7.727415 24.73725 9.085135 -8.261524 
11.92697 
1 1 1 4   19  38 o 46.23616 4.539115  502.8096       87.96866 491.8016       
126.9166 512.9878       122.0396 45.58241 6.631965 46.88991 6.199298 -1.307499 
9.078230 
1 1 1 4   19  39 f 25.61411 6.603399  182.4440       91.49323 220.0227       
141.1796 155.2335       120.1350 27.24360 9.732959 23.98462 8.926870 3.258980 
13.20680 
1 1 1 4   20  0  o 100.1649 1.616915  2094.885       67.56302 1998.455       
89.79034 2220.738       102.5787 97.52839 2.192904 102.8014 2.376726 -5.273026 
3.233829 
1 1 1 4   20  1  o 159.6656 2.110932  5366.154       140.2830 5411.500       
186.9634 5307.737       212.2055 160.4547 2.775399 158.8765 3.181398 1.578140 
4.221864 
1 1 1 4   20  2  f 111.7668 1.841050  2623.668       86.34722 2665.884       
124.4220 2584.446       119.9287 112.6324 2.631206 110.9012 2.575775 1.731224 
3.682100 
1 1 1 4   20  3  o 45.99429 2.101570  442.2543       40.26089 369.6120       
54.92834 526.5905       59.18460 41.93176 3.120142 50.05681 2.816220 -8.125050 
4.203140 
1 1 1 4   20  4  o 57.69754 2.023647  696.4821       48.90944 751.5508       
72.08532 649.5048       66.57912 59.80133 2.871158 55.59375 2.852549 4.207573 
4.047294 
1 1 1 4   20  5  o 58.19766 2.035668  709.5053       49.65973 666.4274       
68.05309 758.5709       72.62894 56.31411 2.878404 60.08122 2.879334 -3.767109 
4.071335 
1 1 1 4   20  6  o 114.7884 1.948215  2766.490       93.72428 2803.079       
137.0533 2734.348       128.4563 115.4979 2.826417 114.0789 2.682078 1.419052 
3.896431 
1 1 1 4   20  7  o 62.26074 2.031379  813.2113       52.26738 822.1183       
81.65528 807.0286       68.03051 62.54364 3.109726 61.97785 2.614498 0.5657921 
4.062757 
1 1 1 4   20  8  o 39.26765 2.730944  323.3367       44.82075 333.7901       
67.06205 314.8977       60.25515 39.83680 4.009714 38.69851 3.708694 1.138298 
5.461888 
1 1 1 4   20  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   20  10 o 108.9294 2.393189  2489.164       109.0413 2436.696       
147.3073 2552.760       162.1784 107.6680 3.258808 110.1908 3.505651 -2.522842 
4.786378 
1 1 1 4   20  11 o 200.3625 3.523784  8446.859       246.9299 8440.862       
280.2099 8467.699       522.3992 200.3813 3.330791 200.3438 6.210801 
0.3744507E-01  7.047568 
1 1 1 4   20  12 o 57.22626 3.412627  682.9340       81.58738 775.9399       
122.3092 608.3716       109.5125 60.70361 4.799163 53.74892 4.853052 6.954685 
6.825253 
1 1 1 4   20  13 o 168.1394 2.490062  5964.593       174.1700 5792.377       
262.6870 6099.692       232.6639 165.9447 3.770476 170.3340 3.253484 -4.389313 
4.980125 
1 1 1 4   20  14 o 92.36636 1.960852  1792.397       75.87807 1802.481       
111.1268 1783.590       103.8572 92.60626 2.858246 92.12645 2.685181 0.4798126 
3.921705 
1 1 1 4   20  15 o 109.3170 2.001129  2515.644       91.69867 2381.250       
130.6811 2646.004       128.7045 106.4316 2.924578 112.2025 2.732199 -5.770882 
4.002258 
1 1 1 4   20  16 o 160.4655 2.011525  5419.770       133.0575 5377.666       
208.5916 5448.654       172.7726 159.9168 3.106874 161.0142 2.555829 -1.097336 
4.023049 
1 1 1 4   20  17 o 63.39058 2.182143  847.0850       57.81944 822.0932       
85.15292 868.4644       78.75895 62.51472 3.244429 64.26643 2.919019 -1.751701 
4.364286 
1 1 1 4   20  18 o 139.7092 2.047462  4096.548       119.9688 3912.730       
165.2115 4301.596       174.4916 136.4014 2.884979 143.0170 2.906081 -6.615662 
4.094925 
1 1 1 4   20  19 o 231.1884 2.526729  11260.91       245.0901 11660.32       
345.3569 10855.65       347.8764 235.3362 3.495430 227.0406 3.649577 8.295547 
5.053458 
1 1 1 4   20  20 o 156.4200 2.261619  5118.462       147.2935 5385.302       
225.4745 4919.817       194.5410 159.9331 3.357996 152.9068 3.030438 7.026291 
4.523239 
1 1 1 4   20  21 o 65.38504 2.246929  899.4881       61.62382 954.4214       
88.17220 847.0320       86.16108 67.33897 3.118791 63.43111 3.235415 3.907867 
4.493858 
1 1 1 4   20  22 o 146.1609 1.986737  4490.974       121.6972 4544.694       
177.9408 4443.765       166.8096 146.9732 2.883757 145.3486 2.733577 1.624557 
3.973474 
1 1 1 4   20  23 o 111.3189 1.866932  2581.415       86.79480 2366.814       
115.7498 2857.077       131.1874 106.0870 2.598837 116.5509 2.681004 -10.46393 
3.733864 
1 1 1 4   20  24 o 88.37312 2.022756  1643.443       75.03588 1615.752       
106.4180 1670.823       105.8181 87.63040 2.892554 89.11584 2.828303 -1.485435 
4.045512 
1 1 1 4   20  25 o 78.83662 2.206670  1303.866       72.90407 1222.488       
99.62943 1397.669       106.9648 76.19869 3.114305 81.47455 3.127088 -5.275856 
4.413341 
1 1 1 4   20  26 o 28.88839 4.895123  185.8369       58.88486 213.3922       
82.91227 157.7929       83.64410 31.06089 6.561234 26.71589 7.266299 4.345001 
9.790245 
1 1 1 4   20  27 o 35.38816 3.973065  276.7056       54.95824 170.6048       
75.99607 393.0281       79.57262 27.69268 6.617261 43.08363 4.399187 -15.39095 
7.946130 
1 1 1 4   20  28 f 108.1648 2.000965  2466.251       90.68524 2470.006       
132.5412 2462.946       124.3473 108.2278 2.916977 108.1018 2.739833 0.1259384 
4.001930 
1 1 1 4   20  29 o 16.95050 4.953532  19.28802       57.62968 5.993862       
82.03859 32.23913       80.97320 16.30071 6.909018 17.60028 7.100379 -1.299570 
9.907063 
1 1 1 4   20  30 o 54.17281 3.877290  629.2109       87.88197 701.5880       
126.4816 561.6544       122.1969 57.22850 5.264243 51.11711 5.693966 6.111393 
7.754580 
1 1 1 4   20  31 o 44.37218 5.236031  457.3736       91.44695 323.2962       
134.5827 572.3720       124.6399 37.29529 8.738843 51.44909 5.770329 -14.15380 
10.47206 
1 1 1 4   20  32 o 94.97335 2.936928  1946.289       115.7359 1796.069       
173.2321 2067.397       155.5436 91.47485 4.510741 98.47186 3.762367 -6.997009 
5.873856 
1 1 1 4   20  33 o 64.75549 3.986108  942.7010       104.9886 766.3885       
158.7307 1079.824       139.9829 58.82775 6.426874 70.68322 4.717150 -11.85547 
7.972215 
1 1 1 4   20  34 o 24.03124 6.262737  115.3775       87.21667 45.64962       
130.1492 172.2140       117.5039 21.01288 8.793697 27.04961 8.919550 -6.036732 
12.52547 
1 1 1 4   20  35 o 53.46454 4.373742  644.9939       97.15344 625.9456       
146.7411 659.8600       129.6349 52.47473 6.660744 54.45435 5.670359 -1.979614 
8.747484 
1 1 1 4   20  36 o 25.14104 6.141090  115.2328       89.40061 271.1556       
134.4161 -8.457605      119.7194 32.36246 9.361369 17.91962 7.950893 14.44284 
12.28218 
1 1 1 4   20  37 o 21.21395 6.126273  73.71311       84.76923 105.6843       
134.5869 52.68980       109.1376 22.93902 9.195395 19.48887 8.097506 3.450148 
12.25255 
1 1 1 4   20  38 o 32.82975 6.456642  290.5145       91.36494 320.1755       
140.6627 268.8685       120.1642 33.97882 9.496320 31.68068 8.750590 2.298138 
12.91328 
1 1 1 4   20  39 o 63.33204 3.628341  947.9517       93.04929 822.2761       
145.0132 1035.912       121.3177 58.76526 5.877707 67.89882 4.255818 -9.133560 
7.256681 
1 1 1 4   21  0  o 181.0113 1.827918  6854.464       130.1186 6792.065       
158.0266 6985.841       229.2975 179.7863 2.093604 182.2362 2.996992 -2.449905 
3.655836 
1 1 1 4   21  1  o 123.8112 1.843218  3221.063       95.70827 3192.094       
132.0575 3253.115       138.9059 123.2287 2.552537 124.3936 2.659768 -1.164879 
3.686436 
1 1 1 4   21  2  o 25.11621 3.274818  138.9595       32.99755 77.64378       
45.69356 205.7851       47.70242 18.96321 5.449241 31.26921 3.633662 -12.30600 
6.549636 
1 1 1 4   21  3  o 11.55074 3.545067  -9.769546      32.19652 -23.20103      
44.60621 4.838911       46.51955 10.57153 4.763860 12.52995 5.251251 -1.958427 
7.090134 
1 1 1 4   21  4  o 112.6298 2.112586  2656.340       96.54726 2708.497       
159.1074 2625.942       121.4660 113.4796 3.339595 111.7801 2.588279 1.699478 
4.225173 
1 1 1 4   21  5  o 23.98326 3.788779  124.9764       39.50259 190.5452       
56.38844 61.78666       55.35606 30.07839 4.465360 17.88813 6.122087 12.19026 
7.577558 
1 1 1 4   21  6  o 159.6552 2.569644  5358.849       171.8515 5315.578       
234.8254 5408.748       252.1700 158.9722 3.518398 160.3382 3.746084 -1.365997 
5.139287 
1 1 1 4   21  7  f 210.2291 3.464257  9282.481       303.4731 9077.861       
403.1793 9549.945       460.9507 207.6073 4.625690 212.8508 5.158225 -5.243469 
6.928513 
1 1 1 4   21  8  o 169.5814 2.495356  6018.789       170.3045 6151.700       
286.2573 5945.971       211.8812 170.9784 3.987829 168.1844 3.000736 2.794022 
4.990711 
1 1 1 4   21  9  o 79.44481 1.971273  1326.709       65.64227 1322.390       
95.51705 1330.574       90.36170 79.31949 2.868283 79.57014 2.704926 
-0.2506485     3.942546 
1 1 1 4   21  10 o 135.2762 2.397321  3849.080       124.6496 3846.439       
227.9166 3850.207       148.8900 135.1943 4.015492 135.3582 2.620004 
-0.1639557     4.794643 
1 1 1 4   21  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   21  12 o 71.45705 2.588496  1066.129       77.36070 967.1158       
104.3357 1187.029       115.2921 67.79981 3.665434 75.11428 3.655933 -7.314468 
5.176992 
1 1 1 4   21  13 o 24.14366 4.355437  126.4345       44.55174 153.9787       
65.50111 102.7215       60.77531 26.47696 6.026099 21.81035 6.290109 4.666609 
8.710875 
1 1 1 4   21  14 o 116.9415 1.914945  2850.357       92.62503 3011.437       
145.6350 2740.938       120.0300 119.6810 2.898422 114.2020 2.503440 5.479042 
3.829891 
1 1 1 4   21  15 f 116.1649 2.019376  2838.435       97.91971 2826.214       
146.3737 2848.335       131.7385 115.9282 3.007425 116.4015 2.695722 
-0.4732666     4.038752 
1 1 1 4   21  16 o 179.0778 2.157013  6746.194       162.1361 6690.763       
231.1375 6799.892       227.4961 178.3492 3.086884 179.8064 3.013630 -1.457184 
4.314026 
1 1 1 4   21  17 o 36.44943 3.248342  278.7715       49.55156 298.9012       
73.75158 262.2075       66.90116 37.63967 4.667095 35.25920 4.519416 2.380470 
6.496683 
1 1 1 4   21  18 o 218.0406 2.145307  10003.67       190.7776 9999.084       
308.8326 10006.50       242.6010 217.9406 3.375250 218.1405 2.648973 
-0.1998138     4.290614 
1 1 1 4   21  19 o 149.5352 1.962338  4710.738       122.9234 4577.813       
178.3723 4830.961       169.6365 147.5113 2.880203 151.5590 2.665992 -4.047653 
3.924676 
1 1 1 4   21  20 o 66.91972 2.308096  942.7040       64.83939 935.6251       
90.89848 950.0372       92.51643 66.66496 3.247731 67.17448 3.280467 
-0.5095215     4.616191 
1 1 1 4   21  21 o 160.1559 2.129941  5379.118       142.7455 5183.571       
192.8544 5616.060       212.2872 156.9588 2.926611 163.3530 3.095408 -6.394211 
4.259883 
1 1 1 4   21  22 o 31.22720 4.225564  213.3922       53.38946 217.8329       
75.91177 209.0455       75.10291 31.55889 5.947231 30.89551 6.004334 0.6633739 
8.451129 
1 1 1 4   21  23 o 182.7360 2.715525  7008.978       207.3914 6749.173       
278.2813 7333.542       311.0359 178.9689 3.703629 186.5030 3.972335 -7.534042 
5.431051 
1 1 1 4   21  24 o 18.96142 4.912286  49.43695       54.79215 105.5970       
78.16779 -4.810511      76.82524 22.54178 7.270512 15.38106 6.607713 7.160715 
9.824572 
1 1 1 4   21  25 o 163.1132 2.342911  5612.462       159.8081 5678.386       
217.2768 5534.770       235.8721 164.1873 3.152064 162.0392 3.467191 2.148102 
4.685821 
1 1 1 4   21  26 o 65.20814 2.514267  895.1981       68.35546 758.0886       
94.13580 1048.129       99.41885 59.92018 3.741992 70.49609 3.359114 -10.57591 
5.028533 
1 1 1 4   21  27 o 21.63917 4.740783  99.03810       48.38911 125.6514       
68.68893 72.81851       68.17900 23.84556 6.626853 19.43278 6.781217 4.412775 
9.481565 
1 1 1 4   21  28 o 97.92671 2.209276  2025.039       90.77715 2046.510       
126.6369 2002.344       130.1935 98.47148 3.063169 97.38195 3.184432 1.089531 
4.418553 
1 1 1 4   21  29 o 111.0644 2.665817  2617.247       123.7767 2579.336       
182.9306 2649.260       168.1015 110.2698 3.951398 111.8590 3.579495 -1.589180 
5.331635 
1 1 1 4   21  30 o 33.14970 5.463047  257.5709       77.64348 161.9142       
117.9205 330.7825       103.1624 27.22168 8.935349 39.07771 6.288010 -11.85603 
10.92609 
1 1 1 4   21  31 o 67.86391 3.827858  996.8705       108.4655 969.9329       
160.6787 1019.422       147.0169 66.90923 5.719966 68.81858 5.088417 -1.909355 
7.655717 
1 1 1 4   21  32 o 83.56271 2.754340  1488.162       95.92933 1525.675       
145.3901 1459.239       127.6614 84.41186 4.102537 82.71355 3.676241 1.698303 
5.508680 
1 1 1 4   21  33 f 53.14132 4.225924  616.2381       93.44365 742.5993       
139.4127 513.1617       125.9144 58.14761 5.710730 48.13503 6.230674 10.01258 
8.451848 
1 1 1 4   21  34 f 58.03036 4.188132  737.3802       101.0758 830.1806       
156.6046 671.1213       132.3281 61.00780 6.114209 55.05291 5.725230 5.954891 
8.376265 
1 1 1 4   21  35 o 69.68814 3.408779  1054.873       99.13091 1168.051       
150.6533 968.4522       131.6458 72.88544 4.923331 66.49084 4.715920 6.394608 
6.817557 
1 1 1 4   21  36 f 36.33144 5.347867  308.7745       80.80450 457.4000       
123.8832 198.7194       106.6034 44.51361 6.628887 28.14926 8.393841 16.36434 
10.69573 
1 1 1 4   21  37 o 72.69653 3.543552  1178.891       104.6074 1196.642       
171.0613 1168.287       132.2087 72.55733 5.615540 72.83572 4.323514 
-0.2783813     7.087105 
1 1 1 4   21  38 o 40.66029 5.160558  370.5166       82.34025 556.2029       
147.3435 286.1950       99.29114 47.53406 7.383244 33.78651 7.212014 13.74755 
10.32112 
1 1 1 4   21  39 o 58.12230 3.546342  732.8534       80.74621 924.6723       
148.7100 652.6563       96.15538 62.42407 5.674260 53.82053 4.255462 8.603539 
7.092685 
1 1 1 4   22  0  f 137.0038 1.941587  3948.612       111.6267 3933.216       
160.1469 3963.160       155.6761 136.7395 2.789622 137.2680 2.701305 
-0.5284729     3.883174 
1 1 1 4   22  1  o 198.4667 2.294781  8139.587       183.5275 7777.339       
227.1139 8821.287       311.5572 192.2862 2.813305 204.6473 3.626209 -12.36113 
4.589561 
1 1 1 4   22  2  o 241.8509 3.116302  12360.00       310.1646 12455.90       
401.6512 12218.34       488.1784 243.1313 3.934859 240.5705 4.833451 2.560852 
6.232605 
1 1 1 4   22  3  o 140.8530 2.106556  4182.244       123.8667 4264.150       
167.4606 4083.293       184.0620 142.3958 2.801151 139.3102 3.147041 3.085617 
4.213112 
1 1 1 4   22  4  o 148.4477 2.303006  4609.344       142.7553 4390.977       
190.4864 4889.121       215.6135 144.4727 3.140503 152.4227 3.369359 -7.949997 
4.606011 
1 1 1 4   22  5  o 136.3856 2.335870  3938.115       132.0569 3746.579       
200.7345 4084.260       175.3434 133.4160 3.583730 139.3551 2.997006 -5.939117 
4.671741 
1 1 1 4   22  6  o 78.61737 1.908005  1287.608       62.61648 1408.499       
94.96032 1194.607       83.28925 81.84993 2.763407 75.38480 2.631638 6.465126 
3.816011 
1 1 1 4   22  7  o 139.8966 2.482236  4121.643       145.6696 3995.503       
208.0598 4242.927       204.0156 137.7869 3.596674 142.0063 3.421975 -4.219345 
4.964471 
1 1 1 4   22  8  o 122.6786 2.110279  3165.167       108.2006 3169.333       
146.3016 3160.136       160.7550 122.7778 2.838246 122.5793 3.123693 0.1984940 
4.220557 
1 1 1 4   22  9  o 96.67643 2.152312  1972.055       87.06197 1846.266       
125.6023 2088.385       120.7873 93.69043 3.193179 99.66243 2.886761 -5.972000 
4.304624 
1 1 1 4   22  10 o 21.59168 5.017561  93.19616       52.87364 75.81873       
72.51595 112.9208       77.25840 20.04745 6.993777 23.13592 7.196580 -3.088474 
10.03512 
1 1 1 4   22  11 o 296.6026 13.94348  19179.56       1736.302 19179.56       
1736.302 0.000000       0.000000 296.6026 13.94348 ?        ?        ? ? 
1 1 1 4   22  12 o 72.75985 3.695491  1114.405       112.8867 0.000000       
0.000000 1114.405       112.8867 ?        ?        72.75985 3.695491 ? ? 
1 1 1 4   22  13 o 81.45660 3.921813  1397.391       134.1196 1397.391       
134.1196 0.000000       0.000000 81.45660 3.921813 ?        ?        ? ? 
1 1 1 4   22  14 o 126.0781 3.088692  3290.323       158.8471 3601.382       
262.1191 3109.783       199.6931 130.6495 4.778727 121.5067 3.914568 9.142769 
6.177384 
1 1 1 4   22  15 o 85.63133 2.059869  1528.026       73.36485 1643.524       
113.2073 1444.396       96.33099 88.38698 3.050754 82.87569 2.768598 5.511292 
4.119738 
1 1 1 4   22  16 f 192.7733 2.524437  7821.583       204.1552 7923.448       
295.3118 7728.333       282.5489 193.9652 3.626420 191.5814 3.512865 2.383850 
5.048875 
1 1 1 4   22  17 o 80.02472 2.200437  1347.981       73.73891 1223.626       
103.1854 1477.769       105.4156 76.24467 3.223515 83.80477 2.996105 -7.560097 
4.400874 
1 1 1 4   22  18 o 105.9363 2.115181  2335.043       91.46268 2472.457       
149.7092 2253.212       115.5298 108.3680 3.290550 103.5045 2.658617 4.863487 
4.230362 
1 1 1 4   22  19 o 174.1674 2.367017  6432.596       170.0201 6131.160       
263.1485 6648.596       222.7571 170.5852 3.674351 177.7496 2.984998 -7.164383 
4.734033 
1 1 1 4   22  20 f 93.01305 1.928724  1814.160       75.20050 1944.200       
109.8326 1699.400       103.1782 96.14163 2.721077 89.88447 2.734162 6.257164 
3.857447 
1 1 1 4   22  21 o 149.9442 1.938673  4728.918       122.0071 4717.625       
170.3924 4740.801       174.7794 149.7640 2.709967 150.1244 2.773064 
-0.3604431     3.877345 
1 1 1 4   22  22 o 148.6847 2.036437  4651.502       127.0270 4655.799       
176.3372 4646.867       183.1425 148.7627 2.823392 148.6067 2.935432 0.1560211 
4.072874 
1 1 1 4   22  23 o 41.61468 3.348821  366.0002       58.49859 362.2488       
83.21216 369.6657       82.25513 41.40082 4.787391 41.82854 4.683940 
-0.4277191     6.697642 
1 1 1 4   22  24 o 49.40589 2.938255  515.1910       60.83444 558.5601       
87.11827 473.9180       84.98709 51.44266 4.033731 47.36912 4.273451 4.073544 
5.876510 
1 1 1 4   22  25 o 163.4044 2.061606  5593.329       138.8576 5467.841       
179.1029 5782.413       219.8509 161.1679 2.646946 165.6409 3.161417 -4.473022 
4.123213 
1 1 1 4   22  26 o 44.88802 3.034402  426.1036       56.79230 361.7398       
78.48517 496.8457       82.28218 41.31259 4.525080 48.46346 4.044013 -7.150867 
6.068805 
1 1 1 4   22  27 o 66.24478 2.469222  934.8279       68.07654 812.8612       
97.84191 1049.281       94.78059 61.98750 3.759602 70.50206 3.202128 -8.514561 
4.938444 
1 1 1 4   22  28 o 35.66568 4.168415  302.2045       61.28058 40.88502       
84.30504 594.9631       89.23238 18.36127 7.307717 52.97009 4.012480 -34.60881 
8.336829 
1 1 1 4   22  29 o 23.45058 6.197329  92.05653       81.43966 130.2004       
127.6538 65.87581       105.7577 25.74758 9.249337 21.15357 8.250896 4.594007 
12.39466 
1 1 1 4   22  30 o 71.10457 3.394249  1084.881       101.0174 1056.670       
147.5573 1109.765       138.5848 70.16969 5.008782 72.03944 4.582118 -1.869751 
6.788498 
1 1 1 4   22  31 o 31.66388 5.972931  212.7949       86.69203 377.5992       
134.8723 96.76826       113.1664 40.34598 8.247280 22.98178 8.642107 17.36420 
11.94586 
1 1 1 4   22  32 o 87.39108 2.765408  1626.175       100.8440 1708.636       
152.6614 1562.337       134.3222 89.27532 4.073042 85.50683 3.741692 3.768494 
5.530816 
1 1 1 4   22  33 o 42.31104 5.098675  410.6486       86.90195 408.0061       
135.2863 412.5049       113.3888 41.56003 8.040502 43.06205 6.271865 -1.502018 
10.19735 
1 1 1 4   22  34 o 78.06013 3.212303  1360.284       102.2350 1112.679       
154.0538 1555.152       136.6670 71.14662 5.157499 84.97365 3.830897 -13.82703 
6.424607 
1 1 1 4   22  35 o 20.95043 5.996210  70.77921       80.58894 52.73091       
133.0464 81.23862       101.2835 21.06650 8.857141 20.83436 8.085123 0.2321377 
11.99242 
1 1 1 4   22  36 o 45.50650 4.704562  411.9054       80.21951 800.6777       
146.2298 244.5375       95.94548 59.38182 5.865479 31.63119 7.357158 27.75063 
9.409124 
1 1 1 4   22  37 o 36.43134 5.679267  316.0639       81.11304 415.5043       
141.1296 267.0131       99.11960 40.06790 8.636130 32.79477 7.377909 7.273125 
11.35853 
1 1 1 4   22  38 f 44.15881 4.754032  443.6260       84.27170 575.9828       
147.7439 379.7983       102.5985 48.22356 7.297451 40.09405 6.095119 8.129513 
9.508063 
1 1 1 4   22  39 o 31.24745 6.217290  274.2227       81.62308 314.0101       
142.0759 254.6210       99.72249 31.84620 9.729695 30.64870 7.742857 1.197506 
12.43458 
1 1 1 4   23  0  o 89.29844 1.878517  1683.286       70.14355 1530.708       
100.1520 1830.187       98.27067 85.30279 2.796517 93.29409 2.508943 -7.991302 
3.757034 
1 1 1 4   23  1  o 55.44371 1.930419  647.7738       44.82634 597.5910       
63.52382 697.5485       63.26502 53.29638 2.838965 57.59105 2.616554 -4.294678 
3.860839 
1 1 1 4   23  2  o 101.3531 1.868989  2161.364       79.48859 2193.940       
111.1988 2127.324       113.6696 102.1380 2.593187 100.5682 2.692185 1.569794 
3.737978 
1 1 1 4   23  3  o 152.0068 2.211058  4851.006       137.0919 4812.283       
174.0117 4914.367       222.5913 151.2556 2.740238 152.7581 3.470765 -1.502518 
4.422116 
1 1 1 4   23  4  o 73.22177 1.899402  1127.998       58.34343 1183.393       
82.71068 1073.137       82.31091 75.01474 2.626250 71.42880 2.744764 3.585938 
3.798805 
1 1 1 4   23  5  o 82.32536 1.978869  1418.169       68.11262 1349.518       
91.45534 1503.677       102.0676 80.10427 2.719409 84.54646 2.875503 -4.442184 
3.957739 
1 1 1 4   23  6  o 164.6999 2.700747  5706.722       186.5960 5515.749       
257.6065 5917.523       270.6496 161.8094 3.792051 167.5904 3.846620 -5.780991 
5.401495 
1 1 1 4   23  7  o 130.8724 2.275037  3580.280       124.2466 3399.107       
165.2622 3815.812       188.4311 127.1020 3.097008 134.6429 3.333423 -7.540871 
4.550073 
1 1 1 4   23  8  o 146.0567 2.677679  4500.782       163.8854 4649.207       
227.3777 4340.311       236.4248 148.5851 3.644967 143.5282 3.923529 5.056961 
5.355359 
1 1 1 4   23  9  o 104.8296 2.278179  2310.229       100.1795 2179.593       
139.4877 2449.394       143.9689 101.7685 3.264703 107.8906 3.178384 -6.122101 
4.556359 
1 1 1 4   23  10 o 179.1688 5.954735  6735.409       421.1980 7198.307       
743.7359 6516.846       511.0507 183.1476 9.672500 175.1901 6.948252 7.957474 
11.90947 
1 1 1 4   23  11 o 142.1503 3.208725  4269.854       190.4980 4189.963       
282.7899 4336.226       257.7566 140.8923 4.780767 143.4082 4.281113 -2.515884 
6.417450 
1 1 1 4   23  12 o 178.1618 4.299218  6718.945       316.9024 6750.942       
492.2509 6696.296       414.1385 178.3887 6.572644 177.9348 5.543776 0.4538879 
8.598436 
1 1 1 4   23  13 o 140.7114 3.287128  4179.006       194.1832 4203.932       
274.1364 4153.904       275.0993 141.1362 4.626466 140.2867 4.670831 0.8495178 
6.574256 
1 1 1 4   23  14 o 94.81595 3.929469  1894.713       156.4207 0.000000       
0.000000 1894.713       156.4207 ?        ?        94.81595 3.929469 ? ? 
1 1 1 4   23  15 o 39.74476 3.995243  332.3808       66.30344 385.2642       
97.64928 287.1439       90.31416 42.67179 5.450662 36.81773 5.842786 5.854061 
7.990486 
1 1 1 4   23  16 o 62.84132 2.627482  818.0129       67.47920 774.2232       
85.11758 892.0939       110.7101 60.63834 3.343436 65.04429 4.054144 -4.405949 
5.254964 
1 1 1 4   23  17 o 74.26129 2.119403  1168.286       65.59101 1076.542       
96.32966 1247.588       89.55933 71.51159 3.208519 77.01100 2.769996 -5.499413 
4.238805 
1 1 1 4   23  18 o 138.4425 1.980206  4032.595       115.0729 3947.379       
162.9437 4117.382       162.5324 136.9797 2.833365 139.9053 2.767113 -2.925644 
3.960413 
1 1 1 4   23  19 o 50.01312 2.854096  519.8321       59.37986 583.1447       
91.87919 474.4200       77.81413 52.58390 4.161840 47.44233 3.906730 5.141571 
5.708192 
1 1 1 4   23  20 o 113.9732 1.931852  2708.648       91.11685 2868.275       
143.0673 2599.716       118.1859 116.7575 2.918614 111.1889 2.531778 5.568626 
3.863703 
1 1 1 4   23  21 o 47.05298 2.952525  468.6341       58.08776 424.0475       
82.70277 512.0451       81.60523 44.82418 4.394695 49.28178 3.944143 -4.457596 
5.905050 
1 1 1 4   23  22 o 63.02083 2.432850  835.1263       64.30450 788.0190       
88.92284 886.7653       93.10161 61.15988 3.463122 64.88178 3.417869 -3.721905 
4.865701 
1 1 1 4   23  23 o 93.54010 2.078073  1842.219       81.59919 1853.023       
114.7210 1831.156       116.0885 93.82012 2.912515 93.26009 2.964930 0.5600357 
4.156147 
1 1 1 4   23  24 o 14.74821 4.565810  -19.08427      54.40172 -41.26802      
77.16560 2.837016       76.70775 13.77872 6.234334 15.71771 6.672297 -1.938987 
9.131619 
1 1 1 4   23  25 o 169.6269 2.176736  6070.922       154.7951 5971.970       
223.9386 6161.466       214.2118 168.2800 3.169696 170.9737 2.984249 -2.693680 
4.353472 
1 1 1 4   23  26 o 60.73119 2.707720  777.6554       68.27158 629.3047       
93.47401 947.2823       99.95245 54.51121 4.084380 66.95117 3.555955 -12.43996 
5.415439 
1 1 1 4   23  27 o 100.0440 2.234386  2110.344       93.65040 2064.477       
127.7733 2163.585       137.6622 98.88674 3.077678 101.2013 3.240036 -2.314514 
4.468773 
1 1 1 4   23  28 o 81.66199 2.456221  1410.729       84.16331 1384.879       
116.7054 1438.743       121.4885 80.89028 3.436493 82.43370 3.510357 -1.543419 
4.912443 
1 1 1 4   23  29 o 57.92772 3.334938  690.5646       76.86311 801.1862       
135.8161 638.4397       93.22962 61.07668 5.296596 54.77877 4.053804 6.297909 
6.669877 
1 1 1 4   23  30 o 84.20963 3.039694  1480.402       101.4037 1622.719       
178.7958 1412.918       123.1202 86.89708 4.900870 81.52219 3.597281 5.374893 
6.079388 
1 1 1 4   23  31 o 26.44244 6.191795  152.4464       77.56796 177.6950       
129.7194 138.3936       96.77600 27.99676 9.371722 24.88813 8.094699 3.108635 
12.38359 
1 1 1 4   23  32 o 37.52664 4.845163  307.2765       73.47325 429.1739       
115.8288 225.2060       95.04141 44.02980 6.266010 31.02348 7.391857 13.00632 
9.690327 
1 1 1 4   23  33 o 63.46519 3.436338  798.2576       84.76153 1100.394       
160.9439 682.2914       99.70999 70.73028 5.419886 56.20010 4.225934 14.53018 
6.872676 
1 1 1 4   23  34 o 43.47028 4.886675  431.2700       80.57767 452.6885       
143.6913 421.4452       97.31930 43.27992 8.205526 43.66064 5.309210 
-0.3807259     9.773350 
1 1 1 4   23  35 o 72.01965 3.285229  1117.748       93.89375 1209.116       
164.1207 1073.293       114.4791 73.67366 5.306060 70.36563 3.875132 3.308029 
6.570458 
1 1 1 4   23  36 o 36.81440 5.117123  324.3715       73.80775 331.5099       
125.7841 320.6230       91.14933 36.08506 8.443887 37.54375 5.782783 -1.458694 
10.23425 
1 1 1 4   23  37 o 47.14805 4.704051  483.3086       87.44778 665.2325       
160.7495 406.8412       104.2180 52.36160 7.312365 41.93450 5.919601 10.42710 
9.408101 
1 1 1 4   23  38 o 17.98755 5.646483  13.79936       78.91341 63.18391       
141.5288 -8.480727      95.06218 20.46025 8.881461 15.51485 6.975009 4.945391 
11.29297 
1 1 1 4   23  39 o 23.77757 7.151434  54.22322       103.0779 411.6034       
233.9016 -31.91009      114.8295 31.76589 12.29504 15.78925 7.307810 15.97664 
14.30287 
1 1 1 4   24  0  o 167.8443 2.141405  5886.186       146.7888 6110.044       
238.9026 5750.419       186.0507 170.3433 3.340541 165.3454 2.680158 4.997940 
4.282810 
1 1 1 4   24  1  o 151.3633 1.987589  4799.972       125.1629 4679.299       
165.2759 4962.235       191.6527 149.1611 2.639217 153.5656 2.972639 -4.404434 
3.975179 
1 1 1 4   24  2  o 41.97955 2.350246  369.8853       41.35223 343.3737       
56.80846 399.7662       60.31029 40.38345 3.350662 43.57566 3.296618 -3.192207 
4.700492 
1 1 1 4   24  3  f 32.35323 2.908918  223.1348       39.07145 245.2332       
53.31623 197.5012       57.42274 34.11565 3.722432 30.59080 4.471098 3.524858 
5.817836 
1 1 1 4   24  4  o 101.0201 1.875277  2154.118       79.12563 2237.631       
107.8900 2056.920       116.3943 103.1579 2.491151 98.88237 2.803715 4.275482 
3.750554 
1 1 1 4   24  5  o 88.21725 1.913991  1637.931       70.65902 1649.753       
96.32713 1624.160       103.9631 88.56953 2.590510 87.86498 2.818281 0.7045517 
3.827983 
1 1 1 4   24  6  o 174.7366 2.724448  6438.065       199.1980 6404.390       
293.5582 6466.803       271.1869 174.2830 4.011993 175.1902 3.687057 
-0.9072113     5.448897 
1 1 1 4   24  7  o 192.4320 3.239034  7807.937       249.7563 7851.503       
422.0459 7784.458       309.8318 192.6812 5.217249 192.1828 3.840010 0.4983215 
6.478068 
1 1 1 4   24  8  o 26.86680 4.285507  158.1985       47.28775 185.9713       
68.87804 133.4368       65.03709 29.12466 5.838906 24.60893 6.274508 4.515732 
8.571013 
1 1 1 4   24  9  f 87.97678 2.372570  1621.846       86.31905 1674.373       
135.1747 1585.678       112.1667 89.15251 3.611460 86.80105 3.077940 2.351463 
4.745140 
1 1 1 4   24  10 o 87.50751 4.855547  1617.748       178.3867 1617.748       
178.3867 0.000000       0.000000 87.50751 4.855547 ?        ?        ? ? 
1 1 1 4   24  11 o 227.9265 4.600988  11030.04       440.2167 11089.20       
628.4182 10973.04       616.8635 228.5092 6.550375 227.3439 6.462891 1.165237 
9.201976 
1 1 1 4   24  12 o 178.9979 3.534809  6798.135       262.6617 6584.925       
399.1214 6961.021       348.8524 176.4141 5.388809 181.5816 4.576051 -5.167572 
7.069618 
1 1 1 4   24  13 o 166.7825 3.726204  5896.123       257.5987 5803.312       
395.4295 5964.547       339.5265 165.5352 5.689837 168.0299 4.812915 -2.494675 
7.452408 
1 1 1 4   24  14 f 183.8310 4.065338  7123.756       311.9313 6855.399       
416.0221 7468.355       471.4301 179.9645 5.506184 187.6976 5.982460 -7.733109 
8.130675 
1 1 1 4   24  15 o 105.7682 3.038660  2362.017       134.8250 2293.780       
192.6181 2427.564       188.7825 104.2564 4.400634 107.2800 4.191448 -3.023560 
6.077320 
1 1 1 4   24  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   24  17 o 95.73023 2.838441  1924.333       113.5788 2011.389       
170.1823 1854.414       152.5153 97.66035 4.150661 93.80012 3.872853 3.860229 
5.676881 
1 1 1 4   24  18 o 212.8848 3.555024  9580.643       317.4659 9632.845       
440.6659 9524.313       457.7505 213.5196 4.915782 212.2500 5.136913 1.269653 
7.110048 
1 1 1 4   24  19 o 57.39513 2.632031  704.5967       62.42821 583.0918       
90.52547 814.7839       86.20644 52.58234 4.100643 62.20792 3.300769 -9.625576 
5.264062 
1 1 1 4   24  20 f 167.5912 2.399027  5921.298       167.2118 5871.754       
253.9298 5959.228       222.1836 166.9328 3.623207 168.2495 3.145424 -1.316742 
4.798054 
1 1 1 4   24  21 o 100.9971 2.249537  2144.584       95.23651 1981.930       
132.1001 2320.622       137.4274 97.00956 3.243468 104.9847 3.117944 -7.975128 
4.499073 
1 1 1 4   24  22 o 51.63746 2.886395  561.9988       62.51154 597.6181       
90.40253 529.3630       86.53368 53.20512 4.047140 50.06979 4.116522 3.135326 
5.772789 
1 1 1 4   24  23 o 137.8466 2.213036  4008.427       127.9207 3899.947       
183.8826 4110.161       178.0718 136.0218 3.219980 139.6714 3.036748 -3.649612 
4.426071 
1 1 1 4   24  24 o 77.78699 2.283815  1276.263       74.57435 1248.591       
105.1502 1304.267       105.7807 76.93568 3.255394 78.63828 3.204007 -1.702599 
4.567630 
1 1 1 4   24  25 o 107.1373 2.335052  2424.000       105.0026 2472.313       
147.9057 2374.907       149.0937 108.2225 3.255280 106.0521 3.348585 2.170479 
4.670104 
1 1 1 4   24  26 o 69.60860 2.444732  1026.633       71.09758 905.0459       
100.0043 1150.896       101.0989 65.40498 3.641909 73.81222 3.262416 -8.407242 
4.889464 
1 1 1 4   24  27 o 45.35276 3.259536  439.9651       61.66735 494.1688       
86.94018 385.0812       87.48396 48.21936 4.294575 42.48616 4.904582 5.733196 
6.519072 
1 1 1 4   24  28 o 31.31517 5.622963  208.6556       69.08239 268.5015       
128.2312 184.1838       81.99919 34.09245 8.874016 28.53788 6.908161 5.554573 
11.24593 
1 1 1 4   24  29 o 57.89799 3.453362  679.1013       77.41888 825.0521       
145.4529 621.4088       91.44894 61.79515 5.606463 54.00082 4.033660 7.794323 
6.906725 
1 1 1 4   24  30 o 68.72511 3.012348  927.1567       81.27039 1258.814       
150.9702 791.8298       96.43587 76.50963 4.699984 60.94060 3.769233 15.56903 
6.024696 
1 1 1 4   24  31 o 27.64957 5.417461  151.3413       64.82906 279.1636       
113.8235 89.96659       78.87215 34.44854 8.013926 20.85060 7.291949 13.59794 
10.83492 
1 1 1 4   24  32 o 50.91582 3.953403  556.6074       80.34315 613.9440       
139.3814 528.0762       98.32131 52.51187 6.322201 49.31977 4.748405 3.192104 
7.906806 
1 1 1 4   24  33 o 27.08003 6.124197  163.9091       74.36164 219.9331       
132.5759 138.1930       89.82128 29.81704 9.453695 24.34301 7.787863 5.474030 
12.24839 
1 1 1 4   24  34 o 32.53975 5.977115  250.0020       78.08653 306.3099       
139.4563 224.2849       94.24638 34.59692 9.370207 30.48257 7.423130 4.114344 
11.95423 
1 1 1 4   24  35 o 50.23049 3.948938  566.6414       75.97723 569.4413       
138.5818 565.4382       90.84755 49.61208 6.653344 50.84890 4.255521 -1.236820 
7.897876 
1 1 1 4   24  36 o 47.20538 4.356915  546.3951       76.93208 419.0043       
125.9297 622.2490       97.17355 41.28048 7.546699 53.13027 4.356394 -11.84978 
8.713830 
1 1 1 4   24  37 o 17.99663 5.525603  28.09087       68.32124 44.04540       
138.0862 22.91917       78.61848 20.09500 8.748594 15.89827 6.752131 4.196731 
11.05121 
1 1 1 4   24  38 o 35.91051 5.734682  363.7268       81.43338 300.3091       
146.0000 392.3655       98.11246 31.16928 9.924682 40.65175 5.748651 -9.482473 
11.46936 
1 1 1 4   25  0  o 110.7941 1.906332  2583.001       88.67313 2593.497       
125.6016 2572.571       125.2048 111.0186 2.694762 110.5696 2.697159 0.4490509 
3.812665 
1 1 1 4   25  1  o 135.1157 2.174690  3844.290       123.2031 3824.182       
178.5809 3862.554       170.1926 134.7682 3.156231 135.4633 2.992542 
-0.6951447     4.349379 
1 1 1 4   25  2  o 122.5370 2.053630  3142.606       105.1736 3332.183       
157.9804 2991.703       140.9483 125.8291 2.990494 119.2448 2.815408 6.584312 
4.107260 
1 1 1 4   25  3  o 54.57201 2.112899  626.5297       48.40017 610.1505       
67.85960 643.4897       69.05233 53.84561 3.001802 55.29840 2.974314 -1.452785 
4.225797 
1 1 1 4   25  4  o 34.87473 2.958186  255.7366       42.62740 198.3166       
58.20329 322.1715       62.60567 30.65109 4.522960 39.09836 3.813960 -8.447275 
5.916372 
1 1 1 4   25  5  o 143.1346 2.204130  4292.386       132.1055 4047.064       
179.0711 4585.334       195.6830 138.6726 3.075784 147.5966 3.157897 -8.923935 
4.408260 
1 1 1 4   25  6  o 279.0336 4.283428  16459.65       488.9249 16302.57       
623.5138 16710.45       787.8536 277.6104 5.349725 280.4568 6.691147 -2.846466 
8.566855 
1 1 1 4   25  7  o 84.73550 2.077347  1505.025       73.58517 1319.888       
101.0052 1714.430       107.4212 79.19630 3.037806 90.27470 2.834293 -11.07841 
4.154694 
1 1 1 4   25  8  o 145.2644 2.497284  4404.976       149.1779 4256.983       
191.0382 4636.232       238.8063 142.2092 3.199732 148.3196 3.835027 -6.110382 
4.994569 
1 1 1 4   25  9  o 165.0430 4.877861  5785.236       287.5090 5802.930       
589.3626 5779.711       329.3578 164.6561 8.525616 165.4298 4.742148 
-0.7736969     9.755721 
1 1 1 4   25  10 o 94.46300 3.243936  1892.349       122.7036 1912.824       
152.6348 1854.941       206.3076 95.27092 3.816052 93.65508 5.246927 1.615837 
6.487873 
1 1 1 4   25  11 o 120.5504 2.846265  3055.916       143.6637 3168.339       
212.5454 2961.349       194.9369 122.5725 4.130281 118.5283 3.917355 4.044197 
5.692530 
1 1 1 4   25  12 o 124.6786 2.874142  3276.337       150.2798 3305.063       
218.1215 3250.379       207.3434 125.1869 4.150120 124.1704 3.977346 1.016571 
5.748284 
1 1 1 4   25  13 o 165.5481 3.894447  5802.915       270.4805 5554.641       
382.7190 6050.667       382.3156 161.9790 5.627850 169.1172 5.384624 -7.138184 
7.788894 
1 1 1 4   25  14 o 138.3006 3.015071  4016.124       174.4390 4247.498       
260.3212 3827.564       235.0048 141.8822 4.370215 134.7191 4.154977 7.163055 
6.030143 
1 1 1 4   25  15 f 61.76792 3.204809  807.8352       82.74178 722.3486       
117.1971 892.7914       116.8329 58.48110 4.773338 65.05474 4.277669 -6.573643 
6.409619 
1 1 1 4   25  16 o 63.60582 3.033070  852.1868       80.86341 875.9124       
118.3842 831.4351       110.7167 64.42792 4.376641 62.78371 4.200366 1.644203 
6.066140 
1 1 1 4   25  17 o 110.5549 3.160752  2579.032       146.5723 2430.500       
205.1839 2733.806       209.4511 107.2938 4.555012 113.8159 4.383296 -6.522057 
6.321504 
1 1 1 4   25  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   25  19 o 48.64604 4.009366  503.3608       81.57582 473.2007       
118.1937 530.7977       112.7313 47.22481 5.961356 50.06728 5.363050 -2.842464 
8.018732 
1 1 1 4   25  20 o 133.4879 2.435576  3764.535       135.7298 3660.063       
201.3780 3851.503       183.7348 131.7560 3.640514 135.2197 3.236477 -3.463699 
4.871153 
1 1 1 4   25  21 o 251.4790 3.535269  13447.48       358.8734 13217.69       
592.8795 13580.36       450.8498 249.4512 5.661114 253.5069 4.236071 -4.055649 
7.070538 
1 1 1 4   25  22 o 29.74088 4.663861  195.0463       56.87471 233.9939       
83.06213 160.6672       78.03866 32.59259 6.294902 26.88915 6.883358 5.703440 
9.327723 
1 1 1 4   25  23 o 105.8443 1.877853  2356.019       83.38091 2242.227       
115.4872 2479.924       120.5099 103.1773 2.666066 108.5113 2.645263 -5.334000 
3.755706 
1 1 1 4   25  24 o 130.7992 2.034832  3597.265       111.0650 3520.287       
148.3960 3695.300       167.4668 129.2406 2.734919 132.3578 3.013701 -3.117249 
4.069665 
1 1 1 4   25  25 o 22.30225 4.940722  99.86272       56.05762 163.1006       
78.28229 33.30379       80.31155 26.98316 6.886206 17.62133 7.086827 9.361828 
9.881445 
1 1 1 4   25  26 o 102.0373 2.069975  2177.224       87.87900 2052.382       
115.4862 2348.948       135.4458 98.62254 2.789171 105.4521 3.059365 -6.829575 
4.139950 
1 1 1 4   25  27 o 89.25188 2.094395  1680.887       78.14282 1656.633       
105.3915 1710.502       116.4564 88.56303 2.834484 89.94072 3.084098 -1.377686 
4.188790 
1 1 1 4   25  28 o 141.0785 2.819751  4200.234       147.6475 4319.013       
287.4167 4157.652       172.0901 141.9611 4.822407 140.1958 2.923760 1.765213 
5.639503 
1 1 1 4   25  29 o 125.1313 2.852560  3199.214       126.5651 3619.018       
269.5913 3080.530       143.3437 129.6320 4.953529 120.6307 2.830362 9.001343 
5.705120 
1 1 1 4   25  30 o 61.23151 3.279814  784.2303       79.89629 882.4908       
140.3270 737.0988       97.18679 63.76660 5.241664 58.69643 3.943816 5.070168 
6.559628 
1 1 1 4   25  31 o 31.23606 5.750311  234.2525       73.05833 217.6670       
130.0758 241.8958       88.30206 30.08007 9.334203 32.39204 6.718405 -2.311977 
11.50062 
1 1 1 4   25  32 o 56.57365 3.795086  700.4975       84.00360 713.0078       
148.6281 694.6253       101.8277 56.47477 6.268559 56.67254 4.279707 
-0.1977768     7.590173 
1 1 1 4   25  33 o 107.7948 2.971385  2461.909       120.1426 2655.138       
232.0299 2391.126       140.4342 109.8606 5.030640 105.7291 3.163731 4.131485 
5.942771 
1 1 1 4   25  34 o 49.25712 4.782179  602.2925       85.33254 455.1490       
146.6460 677.6224       104.9260 42.89963 8.442901 55.61461 4.493816 -12.71498 
9.564359 
1 1 1 4   25  35 o 53.03682 3.748373  637.8064       79.76858 605.8687       
131.4485 656.4237       100.3604 51.42682 6.088172 54.64682 4.374399 -3.220005 
7.496746 
1 1 1 4   25  36 o 28.27907 5.695366  225.0115       78.09226 89.72545       
138.7486 287.7380       94.47739 22.11867 9.156422 34.43947 6.775599 -12.32080 
11.39073 
1 1 1 4   25  37 o 29.97067 6.185890  249.6954       80.72859 238.0069       
143.1443 255.1469       97.75831 28.51267 9.837667 31.42867 7.502085 -2.916004 
12.37178 
1 1 1 4   25  38 o 22.48333 6.189348  116.6121       79.38614 205.8893       
141.8161 75.86958       95.80294 25.95216 9.691079 19.01450 7.701629 6.937660 
12.37870 
1 1 1 4   26  0  o 151.2339 2.159759  4747.575       133.8508 5149.783       
217.7171 4503.178       169.7129 156.2489 3.318920 146.2190 2.764599 10.02985 
4.319519 
1 1 1 4   26  1  o 49.65201 2.376030  501.5795       48.24790 600.6803       
79.97939 444.8821       60.49523 53.35783 3.570269 45.94619 3.136120 7.411636 
4.752060 
1 1 1 4   26  2  o 147.0587 2.237559  4555.795       138.1359 4640.980       
196.3094 4472.248       194.4118 148.4225 3.150376 145.6948 3.178335 2.727753 
4.475118 
1 1 1 4   26  3  o 57.10406 2.157701  689.0235       51.48161 716.0134       
70.32413 657.8563       75.57066 58.32328 2.871994 55.88484 3.220922 2.438442 
4.315402 
1 1 1 4   26  4  o 81.47644 2.049262  1400.747       69.81343 1443.114       
95.41495 1351.932       102.4189 82.81675 2.744222 80.13612 3.044199 2.680626 
4.098525 
1 1 1 4   26  5  o 26.21331 4.132670  151.0904       44.51277 123.3618       
61.86249 180.8595       64.09815 23.67006 6.164797 28.75657 5.505554 -5.086504 
8.265340 
1 1 1 4   26  6  o 154.3855 2.599964  5005.587       166.1927 5125.677       
258.7086 4921.209       216.8556 155.9100 3.952374 152.8610 3.379052 3.048950 
5.199928 
1 1 1 4   26  7  o 156.5503 2.484608  5148.935       162.5143 5029.884       
218.2349 5297.138       243.4940 154.5470 3.363446 158.5535 3.657915 -4.006454 
4.969216 
1 1 1 4   26  8  o 177.9954 3.558378  6768.228       257.4067 6403.734       
414.0824 6997.785       328.6142 173.8793 5.672310 182.1115 4.298036 -8.232193 
7.116755 
1 1 1 4   26  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   26  10 o 62.81756 2.976119  831.7765       78.37828 771.9302       
109.2941 895.1414       112.4610 60.48602 4.303906 65.14911 4.111635 -4.663094 
5.952239 
1 1 1 4   26  11 o 194.6022 3.955734  8072.657       315.2061 7762.151       
499.4112 8278.250       406.3733 191.2738 6.219047 197.9306 4.890276 -6.656754 
7.911469 
1 1 1 4   26  12 o 258.7783 5.676473  14360.61       610.3412 13921.56       
923.8940 14700.59       813.0056 254.8998 8.633240 262.6568 7.372690 -7.757034 
11.35295 
1 1 1 4   26  13 o 188.5535 3.767656  7533.453       296.6878 7409.114       
440.7574 7636.468       401.1882 187.0473 5.612667 190.0597 5.027814 -3.012405 
7.535313 
1 1 1 4   26  14 o 26.60377 5.525690  152.2065       67.74722 103.3864       
96.48730 199.6775       95.14489 23.19022 8.069515 30.01731 7.550888 -6.827099 
11.05138 
1 1 1 4   26  15 o 49.08352 3.590857  511.9511       73.62083 475.6735       
107.0679 544.4861       101.3947 47.40396 5.379796 50.76308 4.757605 -3.359112 
7.181714 
1 1 1 4   26  16 o 74.10251 2.928638  1155.422       90.81181 1196.236       
134.9121 1121.610       122.7958 75.28396 4.268445 72.92106 4.010991 2.362900 
5.857275 
1 1 1 4   26  17 o 103.9350 2.916093  2279.559       126.6826 2281.541       
188.2310 2277.918       171.2790 103.9505 4.313063 103.9196 3.925796 
0.3086853E-01  5.832186 
1 1 1 4   26  18 o 120.7180 3.349811  3081.312       169.7236 2977.240       
237.9428 3189.110       242.1635 118.6359 4.777247 122.8002 4.697111 -4.164322 
6.699622 
1 1 1 4   26  19 f 108.5736 3.052148  2475.041       136.7212 2579.113       
216.1597 2405.644       176.5147 110.4013 4.663606 106.7459 3.938681 3.655380 
6.104296 
1 1 1 4   26  20 o 68.69788 4.654588  999.3983       134.2467 999.3983       
134.2467 0.000000       0.000000 68.69788 4.654588 ?        ?        ? ? 
1 1 1 4   26  21 o 59.71082 3.634174  761.1944       90.62467 693.3972       
130.6750 824.0171       125.7898 57.09217 5.451765 62.32948 4.806987 -5.237309 
7.268347 
1 1 1 4   26  22 o 87.38994 2.259185  1611.889       82.82549 1596.016       
119.1374 1626.737       115.2263 86.96382 3.263103 87.81605 3.125351 
-0.8522263     4.518369 
1 1 1 4   26  23 o 16.17850 4.693730  2.651782       55.47499 -66.39921      
81.88748 61.22336       75.41817 13.33060 6.170372 19.02640 7.074668 -5.695804 
9.387461 
1 1 1 4   26  24 o 92.83543 2.252074  1820.179       87.77172 1796.757       
123.5206 1844.068       124.7444 92.23132 3.189935 93.43953 3.179885 -1.208206 
4.504149 
1 1 1 4   26  25 o 46.81361 3.091618  466.2603       60.45583 407.2269       
84.33102 528.6766       86.71368 43.73231 4.593102 49.89491 4.139543 -6.162601 
6.183235 
1 1 1 4   26  26 o 90.13495 2.341039  1718.289       88.54604 1770.862       
127.6707 1669.563       122.9109 91.45894 3.324957 88.81096 3.296439 2.647980 
4.682077 
1 1 1 4   26  27 o 25.46092 5.820747  137.3962       66.70274 153.2444       
122.3382 130.6919       79.57049 26.71920 9.101185 24.20265 7.258983 2.516552 
11.64149 
1 1 1 4   26  28 o 44.41414 4.746722  493.7526       74.02313 314.3439       
129.3709 581.0778       90.25783 36.67194 8.551918 52.15634 4.121913 -15.48439 
9.493443 
1 1 1 4   26  29 o 67.64718 3.157964  925.3295       82.35215 1133.610       
156.1879 845.1301       96.91885 72.34891 5.142053 62.94545 3.667457 9.403461 
6.315928 
1 1 1 4   26  30 o 26.51118 5.767336  166.6039       68.46883 130.7323       
127.0586 181.2833       81.27973 25.08307 9.206165 27.93929 6.949473 -2.856216 
11.53467 
1 1 1 4   26  31 o 56.58872 3.508001  617.8135       77.68170 949.1442       
146.0654 487.1397       91.72993 65.79774 5.287587 47.37969 4.611475 18.41805 
7.016001 
1 1 1 4   26  32 o 19.15309 5.456315  14.43256       68.15051 130.6233       
117.6771 -44.20302      83.59624 24.38340 8.868492 13.92277 6.358877 10.46062 
10.91263 
1 1 1 4   26  33 o 44.32502 4.411126  469.0933       73.66163 384.9802       
122.8754 516.2794       92.03238 40.06160 7.581410 48.58845 4.511580 -8.526852 
8.822252 
1 1 1 4   26  34 f 28.92057 5.936759  218.4177       76.23349 167.8938       
134.7096 242.2214       92.46394 26.20614 9.492827 31.63500 7.132087 -5.428864 
11.87352 
1 1 1 4   26  35 o 18.22286 5.626769  7.416420       76.74488 63.40400       
134.1333 -19.83160      93.57463 21.05237 8.874198 15.39335 6.920313 5.659019 
11.25354 
1 1 1 4   26  36 o 37.35914 5.124194  350.2110       71.66717 328.3581       
130.3054 359.6880       85.81161 34.91392 8.869144 39.80437 5.134952 -4.890450 
10.24839 
1 1 1 4   26  37 o 36.69041 5.502332  301.6877       82.78812 593.0768       
148.7447 170.9085       99.64929 48.37783 7.323458 25.00299 8.213986 23.37484 
11.00466 
1 1 1 4   27  0  o 95.85988 1.979176  1936.646       78.82524 1943.070       
120.5487 1931.849       104.1846 95.96869 2.991948 95.75108 2.591677 0.2176132 
3.958351 
1 1 1 4   27  1  o 141.6782 2.398456  4236.678       142.6098 4314.905       
205.1321 4163.502       198.3977 142.9368 3.418305 140.4197 3.365346 2.517044 
4.796912 
1 1 1 4   27  2  o 42.92372 2.456485  389.2531       44.22801 407.7056       
62.48793 370.7296       62.60794 43.94987 3.386566 41.89756 3.559277 2.052311 
4.912971 
1 1 1 4   27  3  o 118.4563 2.150965  2963.866       106.0424 3007.528       
141.5509 2908.021       160.0871 119.4863 2.821730 117.4263 3.247221 2.059998 
4.301930 
1 1 1 4   27  4  f 51.54002 2.368963  559.8211       51.23628 548.9244       
71.14728 571.5603       73.84615 51.02138 3.321446 52.05865 3.378749 -1.037277 
4.737926 
1 1 1 4   27  5  o 67.57503 2.146230  962.9343       60.67779 1066.409       
86.53569 862.8533       85.10490 71.16051 2.896525 63.98955 3.167865 7.170967 
4.292461 
1 1 1 4   27  6  o 79.30807 2.112073  1322.218       70.09350 1296.514       
94.94449 1353.009       103.9163 78.47128 2.881908 80.14485 3.088369 -1.673569 
4.224146 
1 1 1 4   27  7  o 36.58370 3.300756  281.1859       50.41949 266.2092       
67.21992 300.4495       76.23596 35.48640 4.511876 37.68100 4.819018 -2.194592 
6.601511 
1 1 1 4   27  8  o 167.1282 3.450098  5903.206       240.6107 5850.006       
322.3296 5970.157       361.5953 166.3479 4.615341 167.9084 5.129458 -1.560440 
6.900196 
1 1 1 4   27  9  o 76.18993 3.758857  1224.164       120.2354 1224.164       
120.2354 0.000000       0.000000 76.18993 3.758857 ?        ?        ? ? 
1 1 1 4   27  10 f 88.14973 2.579679  1627.521       95.10130 1759.107       
142.3523 1521.451       127.8074 91.34026 3.712131 84.95921 3.583163 6.381050 
5.159358 
1 1 1 4   27  11 o 132.1352 2.850892  3680.688       157.9819 3755.720       
229.7182 3613.355       217.6133 133.3997 4.101677 130.8707 3.960629 2.529022 
5.701784 
1 1 1 4   27  12 o 55.84030 3.270581  660.7966       76.30559 584.3711       
107.5701 738.2026       108.2580 52.56065 4.874746 59.11995 4.361610 -6.559303 
6.541162 
1 1 1 4   27  13 o 46.23635 3.638043  463.1668       68.90511 364.3521       
100.6561 550.3114       94.52560 41.43440 5.786292 51.03830 4.411379 -9.603897 
7.276086 
1 1 1 4   27  14 o 19.48243 5.204318  24.02318       65.50597 125.8567       
96.83417 -61.89626      88.94650 24.67419 8.097132 14.29067 6.540349 10.38352 
10.40864 
1 1 1 4   27  15 o 64.85765 3.061944  889.2099       83.33311 875.1332       
119.1648 902.6823       116.5793 64.34709 4.411032 65.36822 4.247917 -1.021126 
6.123888 
1 1 1 4   27  16 o 151.1985 3.316087  4829.873       209.5487 4922.758       
312.8141 4754.261       282.2328 152.4623 4.887031 149.9346 4.483597 2.527618 
6.632173 
1 1 1 4   27  17 o 52.45292 3.814746  584.5128       83.74616 644.5296       
119.5666 526.7155       117.3348 55.12225 5.166592 49.78358 5.613863 5.338676 
7.629491 
1 1 1 4   27  18 o 186.7152 4.124881  7343.380       314.0040 7755.940       
514.9527 7099.183       396.1812 190.5570 6.436705 182.8734 5.160174 7.683533 
8.249762 
1 1 1 4   27  19 o 25.62238 5.897506  135.8196       75.61506 78.52176       
111.0086 185.4176       103.2808 22.36744 8.517911 28.87732 8.158892 -6.509878 
11.79501 
1 1 1 4   27  20 o 68.00957 3.246858  974.5361       91.86942 1028.412       
141.1639 934.9517       121.0003 69.59144 4.831577 66.42770 4.338687 3.163742 
6.493716 
1 1 1 4   27  21 o 49.96570 5.478279  532.5499       114.9199 0.000000       
0.000000 532.5499       114.9199 ?        ?        49.96570 5.478279 ? ? 
1 1 1 4   27  22 o 55.94535 5.501140  668.5969       129.2099 668.5969       
129.2099 0.000000       0.000000 55.94535 5.501140 ?        ?        ? ? 
1 1 1 4   27  23 o 48.49517 4.374953  490.5212       87.66377 627.1014       
137.6160 397.2492       113.7236 54.02819 6.066938 42.96215 6.305007 11.06604 
8.749906 
1 1 1 4   27  24 o 77.66434 2.252368  1273.813       73.24963 1294.390       
107.9228 1256.238       99.74149 78.22749 3.286055 77.10120 3.081313 1.126297 
4.504736 
1 1 1 4   27  25 f 86.55445 2.340456  1589.497       84.86964 1494.925       
121.2533 1680.329       118.8309 83.99582 3.438406 89.11308 3.176209 -5.117264 
4.680912 
1 1 1 4   27  26 o 18.38828 5.043362  50.54855       55.67010 50.56932       
80.71099 50.52969       76.88697 18.52721 7.211747 18.24936 7.052141 0.2778530 
10.08672 
1 1 1 4   27  27 o 76.80847 2.753691  1250.699       81.92613 1276.825       
148.2867 1239.221       98.28896 77.15502 4.577825 76.46191 3.061827 0.6931076 
5.507383 
1 1 1 4   27  28 o 80.64479 2.886072  1348.149       90.68655 1511.891       
165.8598 1278.323       108.3102 83.76333 4.716373 77.52625 3.327682 6.237076 
5.772143 
1 1 1 4   27  29 o 50.53208 3.673273  501.1849       73.02606 725.0718       
135.5060 409.5478       86.69214 57.55478 5.607872 43.50938 4.745892 14.04539 
7.346545 
1 1 1 4   27  30 o 71.77113 2.814313  1060.237       77.39704 1226.365       
146.7161 996.1794       91.10499 75.18578 4.647968 68.35649 3.174560 6.829292 
5.628626 
1 1 1 4   27  31 o 42.54848 4.483021  442.5476       67.48770 339.2225       
122.3869 487.6940       80.89899 37.57641 7.996719 47.52056 4.054923 -9.944149 
8.966043 
1 1 1 4   27  32 o 48.51898 3.891486  549.1462       70.74495 459.7553       
126.8826 589.4720       85.22101 44.82282 6.742546 52.21513 3.887508 -7.392311 
7.782971 
1 1 1 4   27  33 o 38.23882 5.235915  344.9878       76.49615 360.6251       
137.0697 337.9145       92.18784 37.71900 8.806992 38.75864 5.665342 -1.039642 
10.47183 
1 1 1 4   27  34 f 47.06454 4.500924  516.0797       82.72370 498.8646       
143.8076 524.5934       101.1310 45.62087 7.508263 48.50822 4.965809 -2.887356 
9.001848 
1 1 1 4   27  35 o 43.77779 5.022715  469.8132       82.84535 444.3155       
144.0931 482.4036       101.2540 41.39372 8.579895 46.16185 5.224564 -4.768131 
10.04543 
1 1 1 4   27  36 o 56.60535 3.666478  723.4005       83.43019 778.9731       
141.3638 693.6981       103.3484 57.58858 5.846865 55.62210 4.425653 1.966480 
7.332955 
1 1 1 4   27  37 o 13.47351 4.656540  -128.3976      75.21680 -92.53181      
137.3941 -143.7471      89.88232 15.67407 7.488178 11.27296 5.537207 4.401107 
9.313081 
1 1 1 4   28  0  o 36.99752 3.280530  306.7631       45.90926 254.8137       
81.65516 330.7748       55.51444 34.45530 5.644802 39.53975 3.344207 -5.084454 
6.561060 
1 1 1 4   28  1  o 123.3119 2.183092  3176.260       112.0512 2958.452       
147.3000 3475.399       172.6248 118.3795 2.963788 128.2442 3.206170 -9.864685 
4.366184 
1 1 1 4   28  2  o 33.71162 3.489594  239.3297       48.24846 254.6180       
77.96986 229.8426       61.42064 34.52855 5.378603 32.89468 4.447437 1.633877 
6.979188 
1 1 1 4   28  3  o 59.84902 2.230663  755.2433       56.01539 790.2148       
80.72067 722.7603       77.79572 61.18513 3.142389 58.51291 3.166832 2.672222 
4.461326 
1 1 1 4   28  4  o 126.5276 2.361015  3355.951       124.7896 3148.216       
166.6304 3621.258       188.3099 122.1210 3.250012 130.9342 3.425636 -8.813202 
4.722029 
1 1 1 4   28  5  o 64.22028 2.249662  874.5665       60.34124 936.9796       
83.33466 805.7775       87.48753 66.66127 2.977647 61.77930 3.373061 4.881969 
4.499325 
1 1 1 4   28  6  o 63.05342 2.299808  834.7064       60.73169 774.3698       
82.57649 905.7939       89.63184 60.58416 3.246522 65.52267 3.258305 -4.938515 
4.599615 
1 1 1 4   28  7  o 11.23810 3.789336  -92.14367      49.75877 -107.9202      
74.24409 -79.27855      67.04443 11.23996 5.402001 11.23623 5.315511 
0.3738403E-02  7.578672 
1 1 1 4   28  8  o 44.76503 6.249477  427.8713       117.4523 0.000000       
0.000000 427.8713       117.4523 ?        ?        44.76503 6.249477 ? ? 
1 1 1 4   28  9  o 134.1900 2.963454  3790.351       165.3960 3682.173       
218.0848 3936.814       253.7578 132.0062 3.935069 136.3739 4.432096 -4.367722 
5.926908 
1 1 1 4   28  10 f 227.9015 4.924293  11071.67       458.8930 11361.27       
741.6718 10892.03       584.1265 229.8075 7.687208 225.9955 6.156419 3.811996 
9.848586 
1 1 1 4   28  11 o 112.0641 2.722301  2648.138       127.7212 2708.901       
188.6923 2596.758       173.5113 113.2269 3.969407 110.9014 3.726593 2.325516 
5.444602 
1 1 1 4   28  12 o 94.77129 2.726214  1896.499       108.4375 1964.640       
154.7626 1830.784       151.9829 96.44804 3.822026 93.09453 3.888585 3.353516 
5.452428 
1 1 1 4   28  13 o 89.24794 2.758569  1672.381       103.0375 1524.889       
139.6586 1848.566       152.6392 84.95432 3.915645 93.54156 3.886713 -8.587234 
5.517138 
1 1 1 4   28  14 o 39.33024 4.633282  328.8802       74.11974 403.1051       
113.7075 274.0402       97.73794 43.45610 6.232460 35.20438 6.857524 8.251717 
9.266563 
1 1 1 4   28  15 o 42.97388 4.093208  395.6750       73.39165 367.2456       
107.3451 420.6284       100.5689 41.47355 6.164988 44.47422 5.386124 -3.000671 
8.186416 
1 1 1 4   28  16 o 66.14191 3.190737  931.2485       88.04125 883.7524       
130.0265 971.4592       119.6393 64.53658 4.798959 67.74725 4.206330 -3.210678 
6.381474 
1 1 1 4   28  17 o 133.1593 3.202512  3761.606       178.8628 3714.449       
257.7403 3805.413       248.4177 132.3209 4.639539 133.9976 4.415770 -1.676712 
6.405025 
1 1 1 4   28  18 o 67.39560 3.171470  959.2314       89.42898 1078.479       
130.9168 854.9086       122.4506 71.32276 4.372083 63.46844 4.595408 7.854317 
6.342939 
1 1 1 4   28  19 o 148.2034 3.291823  4677.508       203.6827 4544.561       
301.9330 4788.537       275.9227 146.1635 4.920315 150.2434 4.374345 -4.079926 
6.583646 
1 1 1 4   28  20 o 68.30734 3.349167  997.0800       95.53857 929.0863       
139.2516 1057.549       131.3208 66.04147 5.022324 70.57323 4.432150 -4.531761 
6.698335 
1 1 1 4   28  21 o 21.85243 5.895939  69.00861       76.34759 114.9801       
113.5285 31.05193       103.1585 24.41343 8.727325 19.29143 7.929828 5.121996 
11.79188 
1 1 1 4   28  22 o 57.48550 3.851018  723.3662       90.76937 601.1926       
135.6782 822.3483       122.1237 52.84484 6.115450 62.12617 4.682161 -9.281330 
7.702036 
1 1 1 4   28  23 o 79.46502 4.171249  1342.876       139.1621 0.000000       
0.000000 1342.876       139.1621 ?        ?        79.46502 4.171249 ? ? 
1 1 1 4   28  24 o 81.20989 3.313788  1403.546       112.2122 1358.154       
149.1965 1462.663       170.2670 79.77573 4.454602 82.64405 4.907269 -2.868317 
6.627576 
1 1 1 4   28  25 o 31.01976 5.341864  219.4705       67.17157 217.0042       
84.33531 223.7498       111.0894 30.94928 6.680545 31.09024 8.337406 
-0.1409550     10.68373 
1 1 1 4   28  26 o 83.70969 2.655523  1444.572       88.17547 1641.119       
156.2226 1352.685       106.8164 87.57782 4.248845 79.84155 3.186618 7.736275 
5.311047 
1 1 1 4   28  27 o 29.94742 5.543467  206.5830       66.79901 212.2145       
120.7545 204.0999       80.18495 30.01921 8.929985 29.87563 6.570805 0.1435814 
11.08693 
1 1 1 4   28  28 o 63.91521 3.094339  861.6544       77.88847 933.2732       
138.4865 828.5176       94.19935 65.55521 5.031775 62.27521 3.602913 3.280006 
6.188679 
1 1 1 4   28  29 o 33.51308 5.152030  307.0989       70.84286 123.4680       
125.2027 393.5764       85.91960 24.47725 9.112613 42.54892 4.809776 -18.07167 
10.30406 
1 1 1 4   28  30 o 49.01464 3.977621  506.9060       76.04573 601.6646       
140.0156 467.2584       90.56804 51.71007 6.449446 46.31921 4.657307 5.390854 
7.955241 
1 1 1 4   28  31 o 25.10947 5.422793  160.7293       70.42789 17.52699       
129.9778 220.2472       83.79504 19.64732 8.519690 30.57162 6.711306 -10.92430 
10.84559 
1 1 1 4   28  32 o 26.25763 6.084822  144.6247       71.50137 246.7224       
136.5465 106.0532       83.92782 30.84059 9.562216 21.67467 7.527565 9.165916 
12.16964 
1 1 1 4   28  33 o 20.88902 5.531782  46.63417       66.94683 191.6440       
119.2873 -20.04045      80.88644 27.38844 8.986984 14.38961 6.452641 12.99882 
11.06356 
1 1 1 4   28  34 o 29.98128 6.062582  236.1516       77.92087 222.9566       
138.1100 242.3131       94.37608 28.71175 9.670067 31.25081 7.315013 -2.539059 
12.12516 
1 1 1 4   28  35 o 47.73071 4.413118  523.7098       83.21701 582.3917       
146.7644 495.9039       101.0270 48.80793 7.162283 46.65348 5.157919 2.154442 
8.826236 
1 1 1 4   28  36 o 51.35349 4.460136  619.4122       91.76938 715.6458       
158.4875 570.8730       112.5584 53.35359 7.075424 49.35338 5.432278 4.000210 
8.920273 
1 1 1 4   29  0  o 72.14451 2.440947  1104.250       72.17695 1106.015       
115.2937 1103.113       92.55811 72.10693 3.808461 72.18209 3.054261 
-0.7516479E-01 4.881894 
1 1 1 4   29  1  o 37.60620 3.792008  332.6261       53.45882 202.4091       
80.60339 434.8889       71.42956 29.96164 6.586398 45.25076 3.759873 -15.28911 
7.584015 
1 1 1 4   29  2  o 36.84261 3.252865  275.8510       49.02601 381.0433       
79.19296 210.4848       62.42684 42.28642 4.460738 31.39881 4.735646 10.88761 
6.505730 
1 1 1 4   29  3  o 102.5252 2.037730  2196.405       86.21232 2101.075       
111.0219 2341.206       136.8287 99.79828 2.649761 105.2522 3.096472 -5.453880 
4.075459 
1 1 1 4   29  4  o 111.4537 2.074450  2576.595       96.05230 2318.311       
125.2541 2945.327       149.6574 104.8100 2.846493 118.0973 3.018417 -13.28728 
4.148900 
1 1 1 4   29  5  o 20.67303 4.556931  90.48994       44.43982 69.17046       
62.10603 112.8586       63.61594 18.75310 6.479025 22.59296 6.409735 -3.839857 
9.113861 
1 1 1 4   29  6  o 50.56260 2.606593  547.9125       54.40076 655.4243       
76.41232 437.4120       77.46709 55.70034 3.267583 45.42486 4.062045 10.27549 
5.213186 
1 1 1 4   29  7  o 155.8877 3.065069  5172.227       198.9316 5022.155       
298.8223 5291.671       266.5918 153.7337 4.629830 158.0418 4.017869 -4.308136 
6.130139 
1 1 1 4   29  8  o 130.0871 5.779073  3618.485       315.6251 3618.485       
315.6251 0.000000       0.000000 130.0871 5.779073 ?        ?        ? ? 
1 1 1 4   29  9  o 27.76815 5.012103  176.0237       62.92071 256.5846       
85.70791 81.85249       92.66546 34.09601 6.217879 21.44029 7.862741 12.65572 
10.02421 
1 1 1 4   29  10 o 118.8490 2.798336  2997.383       139.1183 2890.292       
203.4412 3091.446       190.6655 116.8010 4.148713 120.8970 3.756451 -4.095985 
5.596673 
1 1 1 4   29  11 o 78.33731 2.651123  1295.395       86.74741 1321.694       
129.9536 1274.258       116.5041 79.02648 3.916848 77.64813 3.573810 1.378349 
5.302247 
1 1 1 4   29  12 o 47.02684 3.559146  468.6705       70.06487 493.7359       
104.0054 447.8433       94.80573 48.15967 5.143911 45.89400 4.920392 2.265667 
7.118292 
1 1 1 4   29  13 o 179.0170 3.734041  6760.170       270.9583 7087.135       
450.0958 6574.327       339.3362 182.0567 5.888699 175.9772 4.592982 6.079468 
7.468082 
1 1 1 4   29  14 o 42.89769 4.228558  400.2951       74.83557 340.8967       
110.6976 450.2910       101.5589 39.82571 6.620575 45.96968 5.262205 -6.143967 
8.457116 
1 1 1 4   29  15 o 23.71937 5.741969  114.4283       68.46512 97.32136       
108.2688 125.8273       88.37941 23.20160 8.499920 24.23714 7.722189 -1.035540 
11.48394 
1 1 1 4   29  16 o 44.56041 4.311549  424.9684       80.55428 438.6484       
117.6032 412.8770       110.5643 45.22002 6.194545 43.90080 5.998786 1.319218 
8.623098 
1 1 1 4   29  17 o 63.08278 3.140124  846.3398       82.97332 912.0295       
117.3701 780.7131       117.3139 65.56174 4.264108 60.60383 4.610737 4.957909 
6.280248 
1 1 1 4   29  18 o 142.8853 3.411891  4347.776       204.6723 4366.520       
289.5879 4329.068       289.3131 143.1965 4.816917 142.5741 4.833354 0.6223602 
6.823782 
1 1 1 4   29  19 o 62.96674 3.282562  844.3423       86.68940 836.8495       
125.1100 851.2620       120.2302 62.67646 4.754540 63.25702 4.527162 
-0.5805550     6.565124 
1 1 1 4   29  20 o 125.9735 3.169068  3371.150       167.2845 3484.710       
245.7545 3273.100       228.3545 127.9091 4.576369 124.0379 4.385066 3.871155 
6.338135 
1 1 1 4   29  21 o 56.39267 3.617927  680.0579       85.60190 699.1712       
123.7950 662.5455       118.4974 57.14184 5.160241 55.64351 5.072424 1.498337 
7.235853 
1 1 1 4   29  22 o 48.23756 4.212687  502.6768       85.30864 494.4654       
120.1844 511.0152       121.1102 47.83437 5.984516 48.64076 5.930639 
-0.8063965     8.425373 
1 1 1 4   29  23 o 58.55709 3.751681  751.9578       90.39678 630.9604       
133.9640 853.1098       122.4863 53.97418 5.911847 63.14000 4.620661 -9.165813 
7.503362 
1 1 1 4   29  24 o 33.16881 5.470328  238.8135       81.12154 396.9927       
122.2668 114.4261       108.4231 42.49483 6.853199 23.84279 8.528284 18.65205 
10.94066 
1 1 1 4   29  25 o 21.69203 8.332440  79.87994       106.9819 0.000000       
0.000000 79.87994       106.9819 ?        ?        21.69203 8.332440 ? ? 
1 1 1 4   29  26 o 65.68355 3.809243  945.0205       103.5956 767.4153       
145.9289 1125.464       147.0905 59.20076 5.871311 72.16634 4.854796 -12.96558 
7.618487 
1 1 1 4   29  27 o 46.57633 4.475552  481.2035       87.31551 475.5227       
127.3222 486.2473       119.9710 46.22472 6.560712 46.92794 6.089278 
-0.7032127     8.951103 
1 1 1 4   29  28 o 47.70049 3.927633  491.8546       73.51994 525.9453       
130.9499 476.1626       88.84367 48.51377 6.429263 46.88722 4.513288 1.626545 
7.855265 
1 1 1 4   29  29 o 29.09976 5.580090  203.0183       67.38872 200.4381       
117.5409 204.2817       82.24852 28.67843 8.867785 29.52109 6.775841 
-0.8426590     11.16018 
1 1 1 4   29  30 o 22.11248 5.906484  91.45546       69.18584 128.4875       
129.5480 76.67880       81.83321 24.47753 9.236674 19.74742 7.364105 4.730108 
11.81297 
1 1 1 4   29  31 o 20.36237 5.749713  69.46230       69.33196 72.85619       
128.9295 68.08161       82.23421 21.62992 8.873768 19.09483 7.313893 2.535089 
11.49943 
1 1 1 4   29  32 o 33.55206 5.593775  249.4401       72.73772 380.0369       
135.2302 196.2749       86.28221 38.76570 8.539170 28.33841 7.227990 10.42728 
11.18755 
1 1 1 4   29  33 o 41.18515 4.851799  364.0750       78.08767 562.5963       
139.0952 272.7136       94.36045 48.86793 6.779683 33.50238 6.942314 15.36555 
9.703598 
1 1 1 4   29  34 o 29.81552 6.143309  211.9628       77.32986 333.1180       
140.5251 159.3388       92.61369 34.70416 9.409085 24.92688 7.901271 9.777281 
12.28662 
1 1 1 4   29  35 o 51.91597 4.251632  624.2374       88.21553 703.4655       
152.4892 584.3851       108.1497 53.46987 6.792834 50.36207 5.114967 3.107800 
8.503263 
1 1 1 4   29  36 o 40.67210 4.791564  415.5689       76.81010 422.7700       
125.5901 411.2658       97.08394 39.73032 7.807529 41.61388 5.556871 -1.883560 
9.583127 
1 1 1 4   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   30  1  o 17.17138 4.743651  38.49261       49.05316 64.50421       
77.35361 20.99667       63.44037 19.11967 7.153811 15.22309 6.231525 3.896583 
9.487303 
1 1 1 4   30  2  o 120.1893 2.568604  3042.323       128.0117 2892.657       
166.6940 3257.464       199.8570 116.7173 3.401775 123.6612 3.849524 -6.943886 
5.137209 
1 1 1 4   30  3  o 14.94810 4.572099  -4.798078      52.69741 2.002507       
72.52612 -12.40387      76.69968 15.08644 6.448555 14.80976 6.483248 0.2766848 
9.144198 
1 1 1 4   30  4  o 24.52546 4.268914  132.1872       45.72095 199.6381       
67.02637 73.48945       62.52632 30.00469 5.528090 19.04622 6.506513 10.95847 
8.537827 
1 1 1 4   30  5  o 75.65165 2.099214  1210.918       66.58408 1139.542       
94.19823 1282.192       94.13005 73.40579 3.056564 77.89751 2.878232 -4.491714 
4.198428 
1 1 1 4   30  6  o 144.4756 2.509409  4422.766       150.5737 4420.422       
198.9261 4425.910       230.4135 144.5302 3.278342 144.4210 3.800132 0.1092072 
5.018817 
1 1 1 4   30  7  o 164.0688 4.849702  5884.451       293.1647 5745.951       
567.6324 5934.834       342.3599 161.4229 8.375740 166.7148 4.891362 -5.291901 
9.699405 
1 1 1 4   30  8  o 32.92732 6.074849  240.6001       77.49472 235.0171       
90.01164 256.5913       152.3373 32.36018 6.836869 33.49446 10.04352 -1.134281 
12.14970 
1 1 1 4   30  9  f 83.92232 2.559933  1491.263       90.06900 1487.300       
124.0653 1495.679       130.9685 83.82344 3.525378 84.02119 3.712780 
-0.1977463     5.119866 
1 1 1 4   30  10 o 21.96327 5.402475  95.53316       61.28983 84.29187       
87.27122 106.4734       86.09458 21.23032 7.645579 22.69622 7.634925 -1.465900 
10.80495 
1 1 1 4   30  11 o 97.62869 2.650851  2006.887       108.3205 1848.163       
146.5994 2197.740       160.7536 93.40558 3.738355 101.8518 3.759354 -8.446220 
5.301702 
1 1 1 4   30  12 o 62.86102 3.127146  846.3811       81.88177 752.1496       
118.4527 932.6151       113.3147 59.42450 4.747889 66.29755 4.071083 -6.873051 
6.254292 
1 1 1 4   30  13 o 23.50605 5.469127  117.4172       63.52959 80.07475       
99.74247 142.9078       82.40788 21.66275 8.119812 25.34936 7.328988 -3.686613 
10.93825 
1 1 1 4   30  14 o 28.74332 5.501448  180.7738       70.60097 261.0669       
103.9406 111.9974       96.19802 34.01296 7.481363 23.47369 8.068019 10.53928 
11.00290 
1 1 1 4   30  15 o 108.1109 3.102077  2464.130       139.6727 2648.321       
214.1654 2327.805       184.2475 111.5360 4.573568 104.6857 4.192136 6.850380 
6.204154 
1 1 1 4   30  16 o 78.16106 2.991884  1294.934       98.04541 1382.849       
142.8198 1216.569       134.8385 80.66670 4.217112 75.65540 4.245168 5.011299 
5.983768 
1 1 1 4   30  17 o 76.97552 2.993204  1268.719       96.02756 1148.286       
139.7380 1376.482       132.1836 73.41759 4.533520 80.53345 3.909510 -7.115868 
5.986408 
1 1 1 4   30  18 o 91.05322 2.842268  1761.965       108.5919 1689.378       
153.1462 1835.366       154.0017 89.14685 4.091865 92.95959 3.945958 -3.812744 
5.684536 
1 1 1 4   30  19 o 65.36240 3.173445  910.0023       87.01173 961.7332       
125.5801 862.2350       120.6729 67.15427 4.454183 63.57052 4.521424 3.583755 
6.346890 
1 1 1 4   30  20 o 33.61461 5.371404  258.7257       74.83057 191.3418       
104.6852 329.1303       107.0058 28.93874 8.226380 38.29049 6.909021 -9.351748 
10.74281 
1 1 1 4   30  21 o 34.10092 5.214985  267.3314       74.71159 172.5412       
106.7770 358.2499       104.5737 27.59199 8.435863 40.60985 6.133553 -13.01786 
10.42997 
1 1 1 4   30  22 o 29.22330 5.857136  195.4955       76.15888 241.8729       
109.7748 152.4583       105.7479 32.28340 8.104490 26.16319 8.458216 6.120203 
11.71427 
1 1 1 4   30  23 o 166.5212 3.475808  5973.398       241.5321 5998.499       
362.1073 5953.280       324.1860 166.6003 5.177053 166.4421 4.639297 0.1582031 
6.951616 
1 1 1 4   30  24 o 40.09522 5.346514  385.8723       85.31061 258.8322       
128.0826 487.1717       114.3729 32.95470 9.004386 47.23575 5.767313 -14.28105 
10.69303 
1 1 1 4   30  25 o 23.72202 6.161713  111.9660       82.70811 58.79771       
128.1756 149.8978       108.2633 21.68319 8.863688 25.76085 8.561651 -4.077662 
12.32343 
1 1 1 4   30  26 o 36.39030 5.577847  303.4203       85.37792 429.8075       
127.7837 201.5001       114.7504 43.72832 6.960393 29.05229 8.717939 14.67603 
11.15569 
1 1 1 4   30  27 o 33.76857 11.13143  291.8810       183.0073 0.000000       
0.000000 291.8810       183.0073 ?        ?        33.76857 11.13143 ? ? 
1 1 1 4   30  28 o 24.34040 6.421533  124.0008       87.82451 144.6864       
131.2092 107.2107       118.2105 25.53156 9.356828 23.14924 8.797392 2.382324 
12.84307 
1 1 1 4   30  29 o 17.26721 5.498238  -33.89525      84.87897 -77.41935      
124.3134 4.115745       116.1736 16.26289 7.556332 18.27153 7.989012 -2.008640 
10.99648 
1 1 1 4   30  30 o 19.17348 4.700768  64.95032       61.12299 -205.8642      
128.5016 144.1391       69.48718 13.71815 6.706128 24.62881 6.589138 -10.91065 
9.401537 
1 1 1 4   30  31 o 30.10808 5.929991  225.2616       73.00287 236.8470       
136.8774 220.6559       86.30222 29.98501 9.615899 30.23115 6.942167 
-0.2461414     11.85998 
1 1 1 4   30  32 o 37.41335 5.147252  329.6979       73.68847 366.1927       
132.9185 313.5043       88.54041 37.72683 8.582749 37.09988 5.684472 0.6269569 
10.29450 
1 1 1 4   30  33 o 46.56183 4.448627  507.2338       80.69473 511.2817       
142.3075 505.3155       97.96772 45.74571 7.409664 47.37795 4.925244 -1.632240 
8.897255 
1 1 1 4   30  34 o 30.97446 6.002191  223.3971       79.68302 421.2831       
143.2207 134.6819       95.89529 39.10343 8.918248 22.84549 8.035549 16.25795 
12.00438 
1 1 1 4   30  35 o 90.35008 3.550911  1850.334       125.2442 2016.951       
225.0098 1775.540       150.7568 91.70452 5.844289 88.99564 4.034868 2.708878 
7.101821 
1 1 1 4   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   31  1  o 25.80430 4.748057  159.7706       51.84568 119.7938       
86.20047 182.4287       64.89577 23.19315 7.639619 28.41545 5.640247 -5.222305 
9.496114 
1 1 1 4   31  2  f 13.93005 4.362088  -23.15689      51.89593 -65.62379      
78.56017 9.722499       69.12560 12.81084 5.973392 15.04925 6.358446 -2.238412 
8.724176 
1 1 1 4   31  3  o 15.36749 4.631003  5.321254       52.57161 -1.323048      
72.52640 12.67747       76.31302 14.83166 6.396810 15.90333 6.698177 -1.071666 
9.262006 
1 1 1 4   31  4  o 21.20455 5.009714  96.06322       53.42921 118.7684       
70.20789 64.81852       82.35905 22.97862 6.803748 19.43049 7.355130 3.548126 
10.01943 
1 1 1 4   31  5  o 20.80265 4.125440  70.31356       48.47026 189.6579       
69.91069 -40.15459      67.26067 29.04081 5.939017 12.56449 5.727573 16.47633 
8.250880 
1 1 1 4   31  6  o 87.62868 2.284269  1635.923       83.22384 1569.478       
125.2874 1688.395       111.3365 85.95999 3.471618 89.29737 2.969750 -3.337379 
4.568539 
1 1 1 4   31  7  o 52.19131 5.534517  588.1475       121.2710 0.000000       
0.000000 588.1475       121.2710 ?        ?        52.19131 5.534517 ? ? 
1 1 1 4   31  8  o 87.40331 2.669833  1626.577       97.40675 1599.845       
145.0668 1648.524       131.4461 86.68526 3.986059 88.12135 3.552938 -1.436089 
5.339666 
1 1 1 4   31  9  o 81.81230 2.616251  1395.271       88.76604 1261.678       
115.0991 1591.352       139.4431 77.10612 3.555527 86.51849 3.838920 -9.412361 
5.232502 
1 1 1 4   31  10 o 83.05008 2.502910  1460.996       87.06137 1493.077       
128.1896 1433.529       118.6139 83.87000 3.640553 82.23015 3.435783 1.639854 
5.005819 
1 1 1 4   31  11 o 27.93066 5.363853  178.1455       66.52464 230.3923       
92.17923 121.3555       96.10351 31.88828 7.072116 23.97304 8.066525 7.915232 
10.72771 
1 1 1 4   31  12 o 87.52466 2.657473  1612.369       97.15757 1773.114       
146.6945 1486.756       129.6769 91.35848 3.824601 83.69084 3.690674 7.667641 
5.314946 
1 1 1 4   31  13 o 30.64887 5.284652  213.2659       67.11783 221.3319       
101.1406 206.9186       89.72021 31.11308 7.760255 30.18467 7.175558 0.9284058 
10.56930 
1 1 1 4   31  14 o 78.45862 2.734054  1307.280       89.84708 1322.328       
131.9807 1294.283       122.6569 78.84864 3.986918 78.06860 3.742284 0.7800446 
5.468108 
1 1 1 4   31  15 o 93.52415 2.867220  1848.170       112.1408 1707.214       
150.7197 2022.967       167.8404 89.57351 4.007850 97.47478 4.101335 -7.901276 
5.734440 
1 1 1 4   31  16 o 85.78416 2.764783  1560.853       99.34071 1629.600       
146.6510 1502.557       135.0436 87.50065 3.992041 84.06768 3.826186 3.432968 
5.529565 
1 1 1 4   31  17 o 45.32257 4.069928  446.7842       76.94231 486.2480       
106.5667 403.8086       111.2073 47.51754 5.341815 43.12761 6.141846 4.389927 
8.139855 
1 1 1 4   31  18 o 23.54540 5.693554  114.2545       69.38499 74.42285       
100.0226 151.2009       96.33180 21.13885 8.075114 25.95195 8.028623 -4.813101 
11.38711 
1 1 1 4   31  19 o 56.41171 3.629836  687.8931       85.60610 653.0688       
124.8108 718.8298       117.6380 54.97970 5.407179 57.84372 4.844094 -2.864017 
7.259671 
1 1 1 4   31  20 f 73.54324 3.170639  1160.660       97.79572 1213.869       
137.8176 1106.693       138.7956 75.28439 4.360346 71.80209 4.604258 3.482292 
6.341278 
1 1 1 4   31  21 o 61.70370 3.633547  830.9576       93.06584 706.5917       
133.6149 948.1466       129.7023 57.01447 5.582013 66.39293 4.653147 -9.378464 
7.267093 
1 1 1 4   31  22 o 66.74989 3.343750  961.3408       93.60646 949.0640       
134.9700 972.7182       129.9327 66.29319 4.849417 67.20658 4.604978 
-0.9133911     6.687500 
1 1 1 4   31  23 o 29.86804 6.116601  211.6812       83.44663 151.9981       
120.0652 267.4482       116.0594 26.14840 9.010943 33.58768 8.273701 -7.439289 
12.23320 
1 1 1 4   31  24 o 30.23443 6.014207  218.5717       80.36897 180.3146       
113.9941 256.3820       113.3266 27.68775 8.764923 32.78111 8.237649 -5.093357 
12.02841 
1 1 1 4   31  25 o 88.85023 3.479344  1725.372       128.7401 1668.080       
192.6674 1771.588       173.0418 87.28451 5.257655 90.41597 4.558552 -3.131462 
6.958687 
1 1 1 4   31  26 o 33.45918 5.651721  279.1567       89.08480 97.36095       
132.6781 428.3957       120.2122 23.30490 9.201398 43.61345 6.565219 -20.30856 
11.30344 
1 1 1 4   31  27 o 103.2388 3.564389  2350.185       152.2888 2288.459       
233.8484 2395.640       200.6753 101.6376 5.480258 104.8400 4.559192 -3.202400 
7.128777 
1 1 1 4   31  28 o 56.12082 4.222085  707.7753       99.21918 719.6293       
146.0744 697.6217       135.1909 56.43219 6.165501 55.80944 5.769803 0.6227455 
8.444171 
1 1 1 4   31  29 o 69.98646 7.444344  1153.268       218.7355 0.000000       
0.000000 1153.268       218.7355 ?        ?        69.98646 7.444344 ? ? 
1 1 1 4   31  30 o 25.89580 6.512869  159.9249       89.97000 214.8283       
134.5153 115.4817       121.0249 28.69419 9.543390 23.09741 8.865302 5.596777 
13.02574 
1 1 1 4   31  31 o 49.77435 4.669688  579.6555       97.24652 584.5381       
143.5778 575.5172       132.1825 49.75347 6.873611 49.79524 6.322770 
-0.4177094E-01 9.339376 
1 1 1 4   31  32 o 33.20186 5.376535  315.6015       73.65155 168.3230       
134.4454 378.7522       88.03699 25.49549 9.452672 40.90823 5.125964 -15.41274 
10.75307 
1 1 1 4   31  33 o 27.46547 6.183702  189.7693       74.90016 273.1063       
137.7924 154.8187       89.23462 30.59482 9.629873 24.33612 7.760042 6.258696 
12.36740 
1 1 1 4   31  34 f 23.11287 6.105499  142.2470       76.40848 153.8967       
136.0995 136.8852       92.33277 23.59205 9.317855 22.63369 7.892150 0.9583569 
12.21100 
1 1 1 4   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   32  1  o 49.98558 3.005457  532.3069       61.34891 577.6957       
100.6534 505.4783       77.38442 51.50277 4.654994 48.46840 3.802909 3.034378 
6.010914 
1 1 1 4   32  2  o 30.70551 4.830373  221.3318       60.18369 209.0483       
92.56405 230.3273       79.21235 29.70463 7.433042 31.70639 6.170893 -2.001768 
9.660747 
1 1 1 4   32  3  o 37.92256 3.714932  314.2144       59.11568 322.1825       
85.29531 306.8490       82.00607 38.37303 5.294441 37.47209 5.212656 0.9009399 
7.429865 
1 1 1 4   32  4  o 60.60511 2.711066  786.9862       67.53008 786.7009       
87.10118 787.4162       106.9215 60.71846 3.416838 60.49176 4.210075 0.2267036 
5.422132 
1 1 1 4   32  5  o 76.39114 2.551772  1238.478       80.83447 1198.581       
105.6013 1294.938       125.6221 75.00340 3.353586 77.77890 3.847028 -2.775505 
5.103544 
1 1 1 4   32  6  o 47.25228 3.752887  475.9307       73.62024 551.4592       
115.0878 423.6180       95.78050 50.32001 5.447654 44.18455 5.163305 6.135464 
7.505774 
1 1 1 4   32  7  o 69.32503 5.860527  1050.658       170.5712 1050.658       
170.5712 0.000000       0.000000 69.32503 5.860527 ?        ?        ? ? 
1 1 1 4   32  8  o 39.11539 4.178104  344.8164       65.37089 290.9353       
97.50448 388.8101       88.10520 35.79160 6.736052 42.43919 4.944878 -6.647583 
8.356208 
1 1 1 4   32  9  o 133.7480 3.095717  3828.504       171.9050 3885.485       
264.1746 3786.656       226.3952 134.4076 4.681536 133.0885 4.051798 1.319061 
6.191434 
1 1 1 4   32  10 o 86.98886 2.784455  1613.746       100.8517 1627.746       
152.9902 1602.986       134.1177 87.23146 4.177453 86.74626 3.682615 0.4851990 
5.568910 
1 1 1 4   32  11 o 71.58353 2.785049  1094.080       83.08247 1088.929       
125.1152 1098.143       111.1188 71.36004 4.176151 71.80703 3.685885 
-0.4469910     5.570097 
1 1 1 4   32  12 o 75.97279 2.846581  1232.157       90.78443 1212.036       
127.2657 1253.005       129.5417 75.34214 4.023413 76.60344 4.027933 -1.261299 
5.693162 
1 1 1 4   32  13 o 37.32592 4.641900  310.0063       70.99488 341.5907       
101.6843 279.9664       99.16687 39.56238 6.121990 35.08945 6.979267 4.472923 
9.283799 
1 1 1 4   32  14 o 80.83423 2.792721  1379.765       93.77310 1492.708       
145.5880 1299.688       122.5885 83.56264 4.149871 78.10580 3.738414 5.456841 
5.585443 
1 1 1 4   32  15 f 42.28778 4.108554  385.4871       72.44244 419.5264       
110.5565 359.8758       95.89819 43.85791 6.004232 40.71765 5.609818 3.140259 
8.217109 
1 1 1 4   32  16 o 48.82072 3.715648  511.8105       74.65018 534.9403       
118.9264 496.7718       95.89532 49.59254 5.711931 48.04890 4.753736 1.543633 
7.431295 
1 1 1 4   32  17 o 27.45362 5.263186  169.2453       74.33990 13.39179       
110.6601 297.4313       100.3583 18.73817 7.986042 36.16907 6.857673 -17.43090 
10.52637 
1 1 1 4   32  18 o 98.36330 2.930295  2075.613       120.4650 2035.606       
177.9990 2109.423       163.6328 97.38561 4.353553 99.34099 3.923404 -1.955376 
5.860591 
1 1 1 4   32  19 o 54.09010 3.821137  637.0906       86.12639 737.0994       
123.5500 542.5508       120.1244 58.34656 5.043694 49.83363 5.741559 8.512936 
7.642273 
1 1 1 4   32  20 o 72.35857 3.189952  1128.664       96.85677 1095.205       
137.5661 1161.556       136.3938 71.25832 4.598295 73.45882 4.422539 -2.200500 
6.379904 
1 1 1 4   32  21 o 75.23779 3.029744  1218.745       95.66903 1197.270       
136.2394 1239.635       134.3728 74.55405 4.352639 75.92152 4.215678 -1.367470 
6.059489 
1 1 1 4   32  22 o 24.59696 6.087358  130.8019       77.20277 151.0654       
117.3638 115.3456       102.5016 25.88259 8.909995 23.31133 8.296727 2.571262 
12.17472 
1 1 1 4   32  23 o 52.29358 3.971718  598.7974       86.31991 491.7792       
117.6536 723.5627       127.0350 47.11253 5.948260 57.47464 5.264635 -10.36211 
7.943436 
1 1 1 4   32  24 o 21.65121 6.095396  75.83485       81.79915 87.05604       
128.2632 68.14228       106.1985 22.65249 9.014338 20.64993 8.207137 2.002560 
12.19079 
1 1 1 4   32  25 o 108.5830 3.464949  2591.367       157.2514 2447.518       
228.9754 2719.773       216.3364 105.4642 5.171362 111.7017 4.613079 -6.237518 
6.929897 
1 1 1 4   32  26 o 45.93858 5.099396  495.7114       95.04802 439.7936       
137.5192 546.8552       131.5180 42.74136 7.960497 49.13581 6.375409 -6.394455 
10.19879 
1 1 1 4   32  27 f 23.25635 6.411054  103.2028       90.44260 146.8516       
136.1898 68.76532       120.9691 25.39949 9.494473 21.11321 8.617507 4.286272 
12.82211 
1 1 1 4   32  28 o 31.53577 6.603228  259.9666       93.48281 244.9384       
142.5632 271.3027       123.8189 30.51605 9.816342 32.55548 8.834586 -2.039434 
13.20646 
1 1 1 4   32  29 o 37.05475 6.271094  350.0139       95.82304 399.6371       
145.8243 312.3035       127.1213 39.28489 9.025879 34.82460 8.708617 4.460285 
12.54219 
1 1 1 4   32  30 o 77.40336 3.787433  1370.812       121.2417 1201.731       
178.9446 1514.298       164.8451 72.35479 5.890774 82.45193 4.762076 -10.09714 
7.574865 
1 1 1 4   32  31 o 30.26894 11.45522  279.1552       199.7348 0.000000       
0.000000 279.1552       199.7348 ?        ?        30.26894 11.45522 ? ? 
1 1 1 4   32  32 o 24.59305 6.017489  131.2716       87.21675 287.6753       
129.3296 0.8104805      118.1177 31.83229 9.174281 17.35381 7.789306 14.47849 
12.03498 
1 1 1 4   32  33 o 68.70219 4.699199  1074.552       123.2393 947.1179       
143.8909 1425.390       238.7507 63.48397 5.398713 73.92043 7.693099 -10.43646 
9.398397 
1 1 1 4   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   33  1  f 52.95956 2.866908  606.3050       63.55019 645.6961       
94.47662 573.7535       85.88374 54.48985 4.129808 51.42928 3.977605 3.060570 
5.733817 
1 1 1 4   33  2  o 56.10512 3.298016  666.0369       75.03591 779.5302       
126.9386 605.0803       93.02927 59.43480 5.087144 52.77543 4.198642 6.659370 
6.596031 
1 1 1 4   33  3  o 18.97900 5.077405  64.23540       56.47703 38.59969       
79.27794 90.65224       80.47671 17.29082 7.004951 20.66717 7.351927 -3.376350 
10.15481 
1 1 1 4   33  4  f 37.32571 4.248274  320.9979       62.98336 234.3960       
89.50639 405.9385       88.64371 31.57530 6.940191 43.07611 4.901540 -11.50081 
8.496549 
1 1 1 4   33  5  o 11.98625 4.030190  -98.34957      54.05283 -132.9048      
69.93736 -47.08834      85.18182 9.956893 4.888707 14.01560 6.408608 -4.058709 
8.060380 
1 1 1 4   33  6  o 17.42744 5.233841  -1.190156      69.02820 65.26055       
102.6443 -56.05632      93.26900 20.36570 8.076666 14.48918 6.658818 5.876522 
10.46768 
1 1 1 4   33  7  o 15.90633 5.289990  -101.4274      87.05959 -89.53845      
107.9832 -123.5079      147.1599 14.80580 6.934989 17.00687 7.990114 -2.201070 
10.57998 
1 1 1 4   33  8  o 37.33700 4.805296  324.0511       72.26297 242.1189       
104.0750 400.3203       100.4139 31.97258 7.809693 42.70143 5.601088 -10.72885 
9.610592 
1 1 1 4   33  9  o 26.63359 5.616402  166.9606       66.99911 151.3858       
108.0568 176.6879       85.39562 25.77042 8.553481 27.49677 7.281061 -1.726355 
11.23280 
1 1 1 4   33  10 o 35.21613 4.776348  282.0313       68.52412 273.9304       
103.8642 288.2751       91.18462 34.26328 7.429339 36.16899 6.004907 -1.905712 
9.552695 
1 1 1 4   33  11 o 45.79980 3.572591  452.0313       68.20663 534.1148       
100.9165 383.0029       92.54391 49.66135 4.840215 41.93824 5.256040 7.723103 
7.145183 
1 1 1 4   33  12 o 47.85989 3.497957  498.2476       70.00534 469.1006       
101.5324 524.6602       96.65276 46.43907 5.207655 49.28070 4.671523 -2.841625 
6.995913 
1 1 1 4   33  13 f 56.78299 3.408059  697.2021       81.21479 719.4590       
116.7885 676.3603       113.0146 57.65812 4.824591 55.90785 4.814851 1.750267 
6.816119 
1 1 1 4   33  14 o 49.80885 3.761890  539.2379       77.48843 669.6096       
113.2318 424.4056       106.2696 55.61372 4.849619 44.00397 5.752257 11.60975 
7.523780 
1 1 1 4   33  15 o 20.55048 5.419568  62.16064       67.98987 -11.58155      
95.78333 137.0498       96.52536 16.43849 7.220276 24.66246 8.084210 -8.223972 
10.83914 
1 1 1 4   33  16 o 38.51328 4.372710  325.4423       70.23132 347.1941       
106.8329 308.8873       93.20097 39.55984 6.432378 37.46670 5.925105 2.093143 
8.745420 
1 1 1 4   33  17 o 55.94646 3.405446  663.5860       79.00839 779.1989       
124.1387 584.8681       102.4332 59.90785 4.935654 51.98508 4.693354 7.922775 
6.810892 
1 1 1 4   33  18 o 62.25814 3.394560  846.4449       88.03334 744.9647       
126.4020 942.0328       122.6775 58.45773 5.150305 66.05855 4.423406 -7.600815 
6.789121 
1 1 1 4   33  19 o 80.62048 3.109613  1403.724       105.2169 1419.693       
151.0827 1388.685       146.6162 81.04330 4.440366 80.19767 4.354530 0.8456345 
6.219227 
1 1 1 4   33  20 o 77.64977 3.222887  1305.954       104.6446 1319.278       
155.3641 1294.889       141.5748 77.90620 4.750067 77.39332 4.357161 0.5128860 
6.445773 
1 1 1 4   33  21 o 62.93446 3.548139  865.9938       93.73640 871.1257       
131.7411 860.7318       133.4010 63.14750 4.969199 62.72143 5.065988 0.4260674 
7.096279 
1 1 1 4   33  22 o 64.11559 3.388265  893.6662       90.88957 940.0936       
135.4288 855.6174       122.6010 65.55765 4.920495 62.67352 4.659409 2.884129 
6.776530 
1 1 1 4   33  23 f 61.44563 3.693431  827.4902       93.53246 1055.320       
138.0256 634.0344       127.1879 69.48912 4.731119 53.40214 5.672939 16.08698 
7.386861 
1 1 1 4   33  24 o 29.88190 6.497455  221.3698       89.08015 254.8356       
133.7929 194.7211       119.3905 31.68113 9.394715 28.08267 8.978141 3.598455 
12.99491 
1 1 1 4   33  25 o 50.89788 4.621589  591.5490       98.57581 602.1423       
144.2613 582.2704       135.0124 51.21308 6.709496 50.58268 6.357594 0.6303978 
9.243178 
1 1 1 4   33  26 o 28.02000 6.573187  173.9301       94.64781 314.4057       
149.4694 79.89890       122.2891 34.46122 9.840461 21.57878 8.717366 12.88244 
13.14637 
1 1 1 4   33  27 o 45.30413 5.239511  479.5875       98.42275 538.1207       
154.4233 439.5429       127.7274 47.33228 7.770994 43.27598 7.030045 4.056297 
10.47902 
1 1 1 4   33  28 o 21.75255 6.285043  69.10145       91.68388 148.6377       
142.6836 13.16620       119.6560 25.05632 9.623405 18.44878 8.086848 6.607538 
12.57009 
1 1 1 4   33  29 o 18.09240 5.728554  -2.992013      88.35873 -20.70948      
140.2785 8.660545       113.7629 18.39324 8.354235 17.79156 7.840414 0.6016827 
11.45711 
1 1 1 4   33  30 o 28.22262 6.677717  205.6385       93.17494 309.3462       
149.6182 139.9392       119.0856 32.74652 9.980618 23.69872 8.874394 9.047798 
13.35543 
1 1 1 4   33  31 o 21.84751 6.250036  75.52261       92.42480 212.0929       
146.2433 -15.30274      119.2618 26.85146 9.874668 16.84356 7.664382 10.00790 
12.50007 
1 1 1 4   33  32 o 17.82028 5.564333  -8.056639      87.01420 110.6661       
126.5070 -114.6562      119.8741 21.50271 8.800500 14.13786 6.811637 7.364847 
11.12867 
1 1 1 4   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   34  1  f 17.67509 6.954814  54.02212       75.55886 0.000000       
0.000000 54.02212       75.55886 ?        ?        17.67509 6.954814 ? ? 
1 1 1 4   34  2  o 17.47844 5.090281  28.67746       58.30338 78.52733       
98.66233 1.928510       72.27245 20.35366 7.963071 14.60321 6.342978 5.750445 
10.18056 
1 1 1 4   34  3  o 26.04239 5.341909  166.8302       61.90920 149.4192       
94.25789 180.0396       82.10126 24.81386 7.981852 27.27093 7.101690 -2.457071 
10.68382 
1 1 1 4   34  4  o 15.15782 4.733244  -9.649591      59.04120 -9.732254      
82.58654 -9.563180      84.43797 15.07403 6.656677 15.24161 6.730755 
-0.1675844     9.466489 
1 1 1 4   34  5  o 33.53080 4.570933  259.5722       61.34782 242.7579       
80.08837 283.4467       95.43268 32.36873 6.116430 34.69288 6.794336 -2.324150 
9.141866 
1 1 1 4   34  6  o 28.05709 6.503590  161.0365       84.01337 300.6208       
155.2661 103.2501       99.90140 33.97895 10.12967 22.13523 8.159443 11.84372 
13.00718 
1 1 1 4   34  7  o 17.13032 5.312098  -1.962129      71.82836 -3.887362      
113.6716 -0.6824343     92.67516 17.85815 7.854614 16.40249 7.153920 1.455660 
10.62420 
1 1 1 4   34  8  o 65.51671 3.416706  940.4132       93.79859 905.7652       
135.1517 972.6107       130.2846 64.25124 5.010269 66.78217 4.646797 -2.530930 
6.833411 
1 1 1 4   34  9  o 20.89903 5.666230  78.40312       71.14898 42.25311       
104.9378 109.1603       96.79453 19.26354 7.968051 22.53452 8.058214 -3.270977 
11.33246 
1 1 1 4   34  10 o 68.65260 3.113116  991.3242       88.23627 1281.230       
138.1917 791.7801       114.6496 76.93364 4.278452 60.37157 4.523362 16.56207 
6.226231 
1 1 1 4   34  11 o 79.82176 3.040914  1388.871       100.1762 1317.727       
154.1596 1440.871       131.7957 77.79451 4.720008 81.84901 3.835382 -4.054504 
6.081828 
1 1 1 4   34  12 o 52.82632 3.744051  627.9155       80.05167 542.9933       
125.6895 685.8740       103.8356 49.38269 6.062408 56.26995 4.395324 -6.887264 
7.488101 
1 1 1 4   34  13 o 48.76459 3.793282  511.9373       75.97501 683.2589       
115.8906 382.8110       100.6119 55.94421 4.934169 41.58496 5.762805 14.35924 
7.586564 
1 1 1 4   34  14 f 33.48432 5.392857  266.4975       74.16785 274.1079       
104.3833 258.7378       105.4025 34.02822 7.507987 32.94043 7.743496 1.087791 
10.78571 
1 1 1 4   34  15 o 38.06902 4.842425  332.3132       74.86343 259.8582       
103.2826 412.5214       108.6683 33.07443 7.594056 43.06359 6.010543 -9.989162 
9.684850 
1 1 1 4   34  16 f 29.68771 5.330502  216.3027       69.63987 131.1947       
103.6599 286.3118       94.01618 24.17211 8.368584 35.20331 6.604831 -11.03121 
10.66100 
1 1 1 4   34  17 o 38.25897 4.328811  326.6411       69.40313 331.2784       
101.5200 322.5721       95.09635 38.45013 6.288900 38.06781 5.950139 0.3823242 
8.657621 
1 1 1 4   34  18 o 75.73889 3.010536  1235.548       95.39144 1322.144       
142.3882 1165.034       128.4879 78.08616 4.343312 73.39162 4.170006 4.694534 
6.021072 
1 1 1 4   34  19 o 28.20658 5.883827  194.2915       75.94832 150.1566       
111.1528 232.9410       104.0163 25.39718 8.675152 31.01599 7.951065 -5.618807 
11.76765 
1 1 1 4   34  20 o 34.81594 5.771614  296.3478       82.44771 286.3610       
125.2355 303.9873       109.5331 33.96936 8.734080 35.66252 7.547315 -1.693161 
11.54323 
1 1 1 4   34  21 o 28.70520 6.038518  203.7178       77.90229 194.6359       
118.0369 210.7265       103.6926 28.08639 8.921829 29.32401 8.139764 -1.237627 
12.07704 
1 1 1 4   34  22 o 16.93246 5.424625  -36.88063      82.84554 -26.86829      
123.9936 -44.95469      111.3467 17.67496 7.954950 16.18997 7.377329 1.484989 
10.84925 
1 1 1 4   34  23 o 42.53375 4.826091  414.6560       85.45893 440.5655       
130.8749 395.3968       112.8359 43.48497 7.168667 41.58254 6.463344 1.902428 
9.652182 
1 1 1 4   34  24 o 81.92595 3.382931  1467.779       115.7045 1615.691       
175.3628 1353.743       153.9769 85.45878 4.887670 78.39313 4.678415 7.065651 
6.765862 
1 1 1 4   34  25 o 96.57683 3.947798  2098.124       157.8497 2138.838       
244.8003 2069.148       206.5168 96.82944 6.021791 96.32421 5.106708 0.5052338 
7.895595 
1 1 1 4   34  26 o 65.39623 3.915684  976.8938       106.1859 841.3260       
153.5506 1101.145       147.0024 60.55584 6.039717 70.23663 4.985190 -9.680782 
7.831367 
1 1 1 4   34  27 o 20.62426 5.826828  -8.790641      90.32962 205.6643       
137.1652 -173.0194      120.0329 27.76490 9.625151 13.48362 6.569947 14.28127 
11.65366 
1 1 1 4   34  28 o 19.10604 5.904241  26.58392       90.37039 -13.93457      
139.3550 55.98999       118.7174 18.41590 8.352840 19.79619 8.346873 -1.380285 
11.80848 
1 1 1 4   34  29 f 26.91323 6.366254  159.0043       93.21824 355.5854       
149.7267 34.57499       119.1213 35.10699 9.792912 18.71947 8.137299 16.38753 
12.73251 
1 1 1 4   34  30 o 25.21612 6.695765  175.9433       94.62702 225.8445       
150.1326 143.0532       121.8855 27.21721 10.00551 23.21502 8.900727 4.002190 
13.39153 
1 1 1 4   34  31 o 21.85651 6.355986  90.22707       94.90238 216.8789       
152.6618 10.45423       121.1580 26.26679 9.993007 17.44624 7.857103 8.820543 
12.71197 
1 1 1 4   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   35  2  o 28.86516 5.085000  208.8077       61.30095 199.0912       
91.52601 216.7121       82.55211 27.99879 7.594587 29.73153 6.763959 -1.732742 
10.17000 
1 1 1 4   35  3  o 52.28735 3.609971  632.7971       73.76598 555.2332       
124.8018 674.4445       91.45029 49.04069 6.061573 55.53400 3.922357 -6.493313 
7.219941 
1 1 1 4   35  4  o 60.47106 3.145177  806.5882       79.83681 812.6409       
114.0790 800.7781       111.7690 60.67321 4.478471 60.26892 4.417222 0.4042854 
6.290354 
1 1 1 4   35  5  o 33.52029 5.088742  274.3614       69.57139 247.6158       
99.92638 299.5220       96.92007 31.62443 7.607675 35.41615 6.760507 -3.791718 
10.17748 
1 1 1 4   35  6  o 18.22884 7.363832  50.01308       87.25814 0.000000       
0.000000 50.01308       87.25814 ?        ?        18.22884 7.363832 ? ? 
1 1 1 4   35  7  o 34.82370 5.041952  281.4941       74.09163 465.1888       
112.7987 142.0955       98.26183 45.31394 5.929160 24.33346 8.156603 20.98048 
10.08390 
1 1 1 4   35  8  o 39.31853 5.038971  356.3559       80.37251 469.1323       
123.1166 272.5999       106.1000 45.25013 6.480639 33.38692 7.717916 11.86322 
10.07794 
1 1 1 4   35  9  o 59.24380 3.464921  773.3838       85.54479 900.4295       
123.6724 656.8343       118.4535 64.07664 4.597208 54.41097 5.185403 9.665665 
6.929843 
1 1 1 4   35  10 o 42.05468 4.774221  411.3029       81.26157 338.0534       
113.4722 488.4172       116.4272 37.54895 7.463121 46.56041 5.956055 -9.011459 
9.548443 
1 1 1 4   35  11 o 72.11118 3.292164  1131.427       98.99159 1208.045       
150.7101 1073.288       131.2825 74.11820 4.843270 70.10416 4.460506 4.014046 
6.584328 
1 1 1 4   35  12 o 60.10893 3.508462  794.6255       88.19909 891.3536       
127.3194 705.3784       122.2969 63.73444 4.758186 56.48341 5.157218 7.251030 
7.016924 
1 1 1 4   35  13 o 70.54840 3.119429  1092.031       90.67152 1045.630       
140.5962 1125.071       118.6395 68.97987 4.854810 72.11692 3.918439 -3.137047 
6.238858 
1 1 1 4   35  14 o 14.66168 4.735635  -100.0755      70.46996 28.45341       
102.0182 -217.3692      97.45734 18.29665 7.727206 11.02670 5.476790 7.269947 
9.471270 
1 1 1 4   35  15 o 44.62313 4.562574  455.6281       80.98524 598.9783       
118.9794 331.8793       110.5459 51.89942 5.460472 37.34684 7.311058 14.55258 
9.125148 
1 1 1 4   35  16 o 74.84445 3.058050  1208.715       95.24592 1005.313       
128.7331 1454.730       141.5773 67.82536 4.520840 81.86356 4.119307 -14.03820 
6.116101 
1 1 1 4   35  17 o 32.04377 5.866961  253.0309       79.61565 282.0928       
116.7466 227.7654       108.8544 33.76956 8.285645 30.31798 8.308610 3.451576 
11.73392 
1 1 1 4   35  18 o 21.61302 5.897955  91.00420       75.88433 89.58273       
110.1305 92.28915       104.7081 21.65068 8.424880 21.57536 8.256203 
0.7532501E-01  11.79591 
1 1 1 4   35  19 o 43.92571 4.284487  423.1950       77.60756 551.9222       
121.4934 334.4630       100.8690 49.50621 5.845400 38.34522 6.265670 11.16098 
8.568974 
1 1 1 4   35  20 o 46.08463 4.149137  482.2591       79.38976 406.5459       
112.4941 557.3827       112.0553 42.17998 6.352499 49.98929 5.339204 -7.809315 
8.298274 
1 1 1 4   35  21 o 44.84544 4.586082  463.4644       86.06980 428.2316       
122.4604 497.8590       120.9950 42.97071 6.788035 46.72017 6.168565 -3.749462 
9.172165 
1 1 1 4   35  22 o 56.23448 3.986129  707.3723       92.91686 873.8356       
137.8021 568.5942       125.8221 62.51022 5.250804 49.95874 5.998830 12.55149 
7.972259 
1 1 1 4   35  23 o 49.39772 4.604153  556.6665       94.62896 642.2914       
146.2017 494.9337       124.1396 52.52565 6.629826 46.26979 6.390487 6.255856 
9.208306 
1 1 1 4   35  24 f 62.57678 4.254632  899.8066       109.0519 896.5792       
173.3017 901.9223       140.3149 61.86420 6.672438 63.28936 5.280732 -1.425167 
8.509263 
1 1 1 4   35  25 o 38.60465 6.125645  381.5662       96.22006 436.8078       
147.7977 340.9300       126.7628 40.89226 8.858662 36.31705 8.462754 4.575214 
12.25129 
1 1 1 4   35  26 o 26.97712 6.458980  196.2808       89.80453 141.4903       
135.6855 238.9920       119.7986 24.16208 9.361832 29.79217 8.901113 -5.630093 
12.91796 
1 1 1 4   35  27 f 75.31323 4.841958  1402.525       145.5751 1509.947       
186.0887 1233.102       233.6994 80.92516 5.477185 69.70130 7.986155 11.22386 
9.683916 
1 1 1 4   35  28 o 21.17315 6.204526  84.33827       96.52558 -19.38160      
152.7963 153.2200       124.5185 18.44258 8.495274 23.90372 9.045160 -5.461138 
12.40905 
1 1 1 4   35  29 o 21.71355 6.293509  97.39445       91.19812 186.2908       
145.5316 39.91193       117.0262 25.07116 9.699377 18.35595 8.022162 6.715204 
12.58702 
1 1 1 4   35  30 o 24.87849 6.659513  172.5532       94.13648 252.7186       
151.6629 122.3125       120.0641 27.94102 10.07728 21.81596 8.708898 6.125053 
13.31903 
1 1 1 4   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 4   36  2  o 28.91968 4.669407  204.4574       59.83157 107.4515       
80.02977 327.3848       90.09003 20.71397 7.335207 37.12540 5.779984 -16.41143 
9.338815 
1 1 1 4   36  3  o 39.74568 4.622591  394.5393       70.88770 348.5270       
116.1025 421.8868       89.50822 36.51870 7.801240 42.97266 4.961257 -6.453960 
9.245183 
1 1 1 4   36  4  o 46.68136 4.029684  494.4063       77.59299 567.7866       
124.4504 447.7402       99.24473 49.18760 6.026450 44.17512 5.351195 5.012482 
8.059367 
1 1 1 4   36  5  o 34.88364 5.924081  294.9973       82.80701 419.1341       
142.9487 232.3040       101.5875 39.79819 8.790441 29.96908 7.943997 9.829111 
11.84816 
1 1 1 4   36  6  o 14.69061 7.010930  -110.9551      119.6292 0.000000       
0.000000 -110.9551      119.6292 ?        ?        14.69061 7.010930 ? ? 
1 1 1 4   36  7  o 17.60964 5.333072  17.67674       73.13364 -44.72272      
112.1727 63.81124       96.45164 15.94760 7.317919 19.27168 7.759811 -3.324087 
10.66614 
1 1 1 4   36  8  o 28.98520 6.070930  212.0531       79.61678 272.7705       
120.8644 165.5106       105.8197 32.35885 8.705019 25.61156 8.464478 6.747288 
12.14186 
1 1 1 4   36  9  o 44.00544 4.763607  450.2233       87.45506 481.7632       
132.7329 426.0269       116.2583 45.17793 6.997989 42.83295 6.464979 2.344982 
9.527214 
1 1 1 4   36  10 o 84.06221 3.388616  1565.014       119.2543 1604.404       
176.1767 1531.702       162.0142 84.89194 4.943141 83.23249 4.636403 1.659447 
6.777233 
1 1 1 4   36  11 o 27.32287 5.999225  180.9391       80.99463 275.2175       
117.9071 96.70016       111.4526 32.84115 8.491118 21.80458 8.477247 11.03657 
11.99845 
1 1 1 4   36  12 o 19.20589 5.730002  37.81790       80.75207 -19.11656      
127.5624 75.89132       104.3148 17.94227 8.072306 20.46952 8.134469 -2.527254 
11.46000 
1 1 1 4   36  13 o 21.58029 5.868935  35.06460       84.55733 208.4357       
132.4511 -84.20337      109.8573 28.38175 9.469883 14.77883 6.935337 13.60292 
11.73787 
1 1 1 4   36  14 o 69.91469 3.576890  1086.317       104.4891 1232.128       
150.9882 952.3072       144.7491 74.59281 4.821332 65.23656 5.285009 9.356247 
7.153780 
1 1 1 4   36  15 o 39.41214 5.367563  389.9873       83.60645 311.6915       
132.7154 441.5051       107.6541 34.69100 9.026925 44.13328 5.810126 -9.442280 
10.73513 
1 1 1 4   36  16 o 45.62927 4.323582  475.6667       82.77399 453.4848       
115.7755 498.8612       118.3884 44.49018 6.198313 46.76836 6.029457 -2.278187 
8.647163 
1 1 1 4   36  17 f 32.79819 5.975361  274.1671       82.96596 257.8958       
118.5562 289.7831       116.1442 31.69246 8.664636 33.90392 8.230666 -2.211462 
11.95072 
1 1 1 4   36  18 f 74.37192 3.303941  1213.814       102.7639 1351.957       
153.2483 1100.941       138.5247 78.19067 4.668334 70.55316 4.676617 7.637512 
6.607881 
1 1 1 4   36  19 o 51.07760 3.825491  587.3519       81.99875 566.1453       
114.1744 609.9420       117.8399 50.11563 5.426460 52.03957 5.393613 -1.923943 
7.650982 
1 1 1 4   36  20 o 25.83899 5.525409  168.2969       73.01846 60.07929       
111.9681 248.3760       96.31747 19.94317 8.238782 31.73481 7.364987 -11.79165 
11.05082 
1 1 1 4   36  21 o 38.27612 5.032288  344.3685       77.68369 514.8904       
119.0821 218.0385       102.4966 47.31874 5.994246 29.23350 8.084845 18.08524 
10.06458 
1 1 1 4   36  22 o 20.53117 5.857726  76.14063       79.08298 32.47474       
124.8333 105.4133       102.2093 19.31813 8.362764 21.74420 8.204632 -2.426069 
11.71545 
1 1 1 4   36  23 o 45.96434 4.959792  506.2258       95.60938 537.9336       
138.4176 477.2942       132.2194 47.38441 6.957879 44.54426 7.070083 2.840149 
9.919584 
1 1 1 4   36  24 o 32.11044 6.335944  296.2925       99.00510 142.6039       
152.2602 408.8731       130.3158 24.35012 9.772428 39.87076 8.066995 -15.52064 
12.67189 
1 1 1 4   36  25 o 24.57608 5.987521  110.5158       88.58877 307.5340       
135.7558 -35.60418      116.9123 32.92639 9.370533 16.22578 7.456187 16.70061 
11.97504 
1 1 1 4   36  26 o 46.40450 5.657878  569.8931       105.4326 503.0352       
157.5911 624.0659       141.8555 42.37537 9.119322 50.43362 6.699575 -8.058247 
11.31576 
1 1 1 4   36  27 o 17.75495 5.534245  -34.71956      84.47919 135.7714       
134.2145 -146.5860      108.7173 22.78265 9.161896 12.72724 6.210567 10.05541 
11.06849 
1 1 1 4   36  28 o 24.39623 6.524773  172.3057       90.14989 177.9220       
147.6961 168.9710       113.8093 24.49770 9.696851 24.29477 8.732797 0.2029324 
13.04955 
1 1 1 4   37  4  o 17.50928 5.348166  16.48064       70.50611 106.7872       
118.3002 -33.26814      87.80453 21.09153 8.551947 13.92703 6.424617 7.164500 
10.69633 
1 1 1 4   37  5  o 48.05524 4.131912  533.9427       81.14638 634.2050       
134.4350 476.4742       101.7791 51.04034 6.273645 45.07015 5.378864 5.970188 
8.263824 
1 1 1 4   37  6  o 15.37814 7.423115  -134.6550      144.0090 -134.6550      
144.0090 0.000000       0.000000 15.37814 7.423115 ?        ?        ? ? 
1 1 1 4   37  7  f 50.75788 3.949837  601.1677       82.74127 598.0860       
128.5365 603.3481       108.1214 50.15371 6.104423 51.36205 5.014068 -1.208344 
7.899675 
1 1 1 4   37  8  f 20.38949 5.853091  81.24942       77.51529 89.27567       
120.2353 75.54071       101.4016 21.05331 8.591906 19.72566 7.950715 1.327644 
11.70618 
1 1 1 4   37  9  o 64.90228 3.802612  947.6310       102.6186 1143.004       
156.9549 801.7610       135.6207 70.73273 5.285373 59.07183 5.468480 11.66090 
7.605224 
1 1 1 4   37  10 o 27.13209 6.323249  192.8076       84.68049 250.6687       
125.6396 144.6437       114.6289 30.26562 9.130328 23.99855 8.750487 6.267075 
12.64650 
1 1 1 4   37  11 o 34.36427 5.219820  293.4133       82.40072 520.5203       
121.0088 97.05788       112.5183 47.26689 6.097910 21.46164 8.473580 25.80525 
10.43964 
1 1 1 4   37  12 o 40.34026 5.469353  408.8575       90.09947 461.3580       
124.5867 351.2944       130.4556 44.07862 6.732321 36.60189 8.621551 7.476730 
10.93871 
1 1 1 4   37  13 o 59.77443 3.937356  816.3010       98.74944 780.3282       
138.6838 853.2969       140.6423 58.35769 5.660423 61.19117 5.474549 -2.833488 
7.874711 
1 1 1 4   37  14 o 45.56125 4.769492  485.6601       90.64248 561.1630       
137.2431 427.2459       120.7169 48.68549 6.714476 42.43701 6.775545 6.248486 
9.538983 
1 1 1 4   37  15 o 32.54973 6.349148  283.0233       89.46371 289.3944       
129.9221 277.2782       123.3733 32.79992 9.113467 32.29954 8.842593 0.5003738 
12.69830 
1 1 1 4   37  16 o 87.60463 3.562652  1704.797       128.1951 1838.738       
206.3814 1620.651       163.5795 89.83924 5.471741 85.37002 4.563990 4.469223 
7.125304 
1 1 1 4   37  17 o 36.65029 6.216644  340.9030       92.32139 424.4826       
151.9368 291.9819       116.2415 39.76091 9.264901 33.53967 8.291458 6.221237 
12.43329 
1 1 1 4   37  18 o 52.70706 3.982616  629.3916       87.35296 699.0884       
134.8170 578.9583       114.6825 55.02481 5.835891 50.38932 5.421006 4.635490 
7.965232 
1 1 1 4   37  19 o 45.07988 4.999536  497.8046       91.22739 438.2087       
132.3147 551.8054       125.9505 41.60489 7.861723 48.55488 6.178571 -6.949989 
9.999071 
1 1 1 4   37  20 o 31.31443 5.387124  242.6660       82.26366 81.79874       
112.9363 424.4908       120.0677 20.59690 8.353999 42.03196 6.804051 -21.43506 
10.77425 
1 1 1 4   37  21 o 34.85950 5.890980  316.9831       84.75414 375.1909       
128.7958 272.5263       112.5592 37.71278 8.355935 32.00622 8.306197 5.706562 
11.78196 
1 1 1 4   37  22 o 46.96663 5.319825  556.2229       100.0805 701.1794       
145.3630 425.5895       137.9947 54.06602 6.403989 39.86725 8.496534 14.19877 
10.63965 
1 1 1 4   37  23 o 44.80549 5.757593  532.3172       104.1708 404.0539       
145.8575 665.8561       148.8269 37.63258 9.278371 51.97840 6.819923 -14.34583 
11.51519 
1 1 1 4   37  24 o 22.01470 6.246818  102.4857       96.39281 199.8849       
131.7812 -9.591797      141.3627 26.04329 9.393492 17.98610 8.237308 8.057194 
12.49364 
1 1 1 4   37  25 o 21.17361 6.313056  94.82819       98.26565 39.62845       
144.9561 141.7645       133.6666 19.40271 8.670908 22.94451 9.177910 -3.541807 
12.62611 
1 1 1 4   37  26 o 20.03693 6.134499  71.28790       95.30722 53.59460       
139.0192 86.97847       130.9151 19.57028 8.640115 20.50357 8.710725 
-0.9332867     12.26900 
1 1 1 4   38  8  o 33.39333 5.518058  319.3951       80.14421 206.5317       
123.9271 400.5306       105.0740 26.27447 9.145009 40.51219 6.177754 -14.23772 
11.03612 
1 1 1 4   38  9  o 21.11612 6.006086  107.2614       82.34190 83.48746       
124.3252 125.8393       109.9021 20.27584 8.545071 21.95640 8.442395 -1.680559 
12.01217 
1 1 1 4   38  10 o 46.69780 4.937436  545.4146       96.22555 578.4969       
145.4542 519.6681       128.3180 47.61843 7.275658 45.77716 6.676666 1.841270 
9.874871 
1 1 1 4   38  11 o 67.04619 3.845014  1052.457       108.1378 1018.439       
149.1940 1090.109       156.9615 65.97202 5.386572 68.12035 5.488293 -2.148331 
7.690028 
1 1 1 4   38  12 o 20.82551 5.966677  52.65617       87.99608 203.4902       
135.8276 -56.43922      115.5158 26.32124 9.532371 15.32978 7.179058 10.99146 
11.93335 
1 1 1 4   38  13 o 43.79673 5.324477  483.1613       93.48993 656.7454       
141.1209 347.3917       124.8066 51.97134 6.467678 35.62213 8.459868 16.34921 
10.64895 
1 1 1 4   38  14 o 25.97649 6.559572  189.1931       90.14056 228.0124       
136.3758 159.0758       120.1216 27.76604 9.600120 24.18694 8.941458 3.579105 
13.11914 
1 1 1 4   38  15 o 29.15915 6.278781  232.4335       89.52880 354.6902       
133.1655 131.5926       120.9411 35.56542 8.924982 22.75289 8.833859 12.81254 
12.55756 
1 1 1 4   38  16 o 20.99851 6.195815  89.57165       91.19316 75.17426       
135.7301 101.4187       123.1229 20.64547 8.823116 21.35156 8.700868 
-0.7060928     12.39163 
1 1 1 4   38  17 o 32.31926 6.300220  298.5208       94.45087 182.2954       
132.4754 418.6820       134.6998 25.33490 9.385154 39.30362 8.407734 -13.96873 
12.60044 
1 1 1 4   38  18 o 30.88332 7.003085  291.9525       102.8208 300.1204       
143.9762 283.4508       146.8885 31.41795 9.834579 30.34869 9.972656 1.069262 
14.00617 
1 1 1 4   38  19 o 41.47710 5.821004  444.6250       94.30672 542.4992       
160.3291 392.8474       116.6137 44.01326 8.987458 38.94095 7.400132 5.072304 
11.64201 
1 1 1 4   38  20 o 19.64296 5.768508  64.51076       81.25002 133.0048       
117.3546 1.451729       112.6024 22.49619 8.708547 16.78973 7.567297 5.706459 
11.53702 
1 1 1 4   38  21 o 44.97046 4.850126  502.2437       91.03603 579.2157       
136.6396 440.8049       122.0765 48.14037 6.760648 41.80054 6.956187 6.339832 
9.700253 
1 1 1 4   38  22 o 23.62556 6.314183  143.5930       96.05635 252.1170       
131.0117 17.43706       141.2542 28.69811 9.418288 18.55302 8.412579 10.14509 
12.62837 
1 1 1 5   -33 0  o 38.90398 6.630757  457.7866       106.4879 484.5593       
130.0257 403.2520       185.5747 43.70278 7.086651 34.10518 11.20924 9.597607 
13.26151 
1 1 1 5   -33 1  o 19.65114 6.137582  57.02077       93.92505 61.17181       
111.9190 47.13398       172.7242 18.86316 8.035081 20.43911 9.279931 -1.575949 
12.27516 
1 1 1 5   -32 0  o 56.54160 5.057887  731.9803       112.8515 647.8898       
135.3536 923.7269       204.3904 52.56300 6.133533 60.52021 8.044168 -7.957203 
10.11577 
1 1 1 5   -32 1  o 27.05408 6.595892  185.0020       91.38323 110.9904       
115.4881 308.9465       149.4518 21.85303 8.598429 32.25514 10.00451 -10.40211 
13.19178 
1 1 1 5   -32 2  o 29.88206 6.274591  249.1507       89.14477 154.2176       
120.6107 363.4528       132.3441 23.79646 8.927076 35.96766 8.819823 -12.17119 
12.54918 
1 1 1 5   -32 3  f 30.22429 6.518493  273.4845       90.18913 273.2724       
125.4481 273.7113       129.7543 30.33232 9.117923 30.11626 9.318073 0.2160606 
13.03699 
1 1 1 5   -31 0  o 26.06014 6.334276  154.1441       88.67203 68.09966       
118.7112 262.7453       133.3667 20.67060 8.503344 31.44968 9.390707 -10.77908 
12.66855 
1 1 1 5   -31 1  o 25.58208 6.308769  160.1852       89.45944 236.9702       
121.8643 70.44839       131.7418 29.95256 8.983306 21.21159 8.860162 8.740971 
12.61754 
1 1 1 5   -31 2  o 50.93587 4.305429  597.8881       91.34838 564.6285       
120.6692 642.5329       139.8051 49.51439 5.804787 52.35736 6.360137 -2.842972 
8.610859 
1 1 1 5   -31 3  o 30.36961 6.455075  254.7059       88.45065 252.9706       
117.1749 257.0044       134.8568 30.56919 8.707582 30.17003 9.531525 0.3991585 
12.91015 
1 1 1 5   -31 4  o 72.40930 3.811735  1170.817       111.7828 1049.514       
138.2502 1399.856       189.9706 67.85813 4.852718 76.96048 5.879491 -9.102348 
7.623469 
1 1 1 5   -31 5  o 17.63135 5.377592  16.24886       78.12981 100.9693       
107.3166 -79.29803      113.9676 20.70031 8.242975 14.56238 6.908496 6.137937 
10.75518 
1 1 1 5   -31 6  o 34.63831 5.633375  347.7630       86.42284 466.9296       
116.0655 199.4788       129.4712 43.54607 6.348559 25.73054 9.307817 17.81553 
11.26675 
1 1 1 5   -30 0  f 37.70185 5.582408  345.5977       87.46318 245.9372       
122.4703 449.3353       124.9502 31.17318 8.909359 44.23052 6.728777 -13.05734 
11.16482 
1 1 1 5   -30 1  o 33.18154 6.292649  282.1609       89.83665 305.5560       
124.5701 256.8069       129.6803 34.81375 8.569217 31.54934 9.217281 3.264416 
12.58530 
1 1 1 5   -30 2  o 35.96568 5.685475  321.8138       83.29295 321.0221       
111.3122 322.8212       125.5584 36.23293 7.564308 35.69843 8.489980 0.5344925 
11.37095 
1 1 1 5   -30 3  o 19.88367 5.783441  52.83502       80.91293 104.1407       
109.7971 -8.142329      119.6995 22.05368 8.450039 17.71366 7.898709 4.340025 
11.56688 
1 1 1 5   -30 4  o 62.04699 3.931867  899.7507       98.06212 985.7369       
126.5786 770.6741       155.0848 66.67916 4.521591 57.41482 6.433781 9.264343 
7.863735 
1 1 1 5   -30 5  o 64.61435 3.705569  911.8522       96.69942 818.3321       
119.1054 1092.706       165.6315 60.44258 4.693636 68.78611 5.735393 -8.343525 
7.411137 
1 1 1 5   -30 6  o 20.97993 5.774645  90.22386       80.19074 159.9577       
104.6590 -8.920916      124.7929 24.51454 8.416360 17.44531 7.908917 7.069231 
11.54929 
1 1 1 5   -30 7  o 28.49641 5.818226  241.3705       82.35908 320.7437       
105.2057 115.7318       132.3622 35.04622 7.381845 21.94660 8.995298 13.09962 
11.63645 
1 1 1 5   -30 8  o 37.38819 6.041420  386.0381       90.26398 362.9883       
113.3775 425.9369       149.1677 36.95535 7.568374 37.82104 9.418852 
-0.8656960     12.08284 
1 1 1 5   -29 0  o 41.02307 5.230322  398.3428       85.20712 425.8111       
110.2155 357.5369       134.3348 43.71318 6.005527 38.33296 8.564971 5.380226 
10.46064 
1 1 1 5   -29 1  o 48.25237 4.469153  525.9595       90.18985 495.3678       
130.4355 553.9844       124.8436 46.72902 6.648600 49.77573 5.974063 -3.046707 
8.938306 
1 1 1 5   -29 2  o 48.96379 4.644015  574.8122       87.30269 668.8877       
113.7123 439.7476       136.2510 55.15882 4.910362 42.76877 7.883898 12.39005 
9.288030 
1 1 1 5   -29 3  o 39.99491 5.124712  371.7866       83.82906 329.9494       
110.9435 427.4568       127.9770 37.09227 7.386237 42.89755 7.105925 -5.805275 
10.24942 
1 1 1 5   -29 4  o 16.20129 5.277227  -57.15205      77.99393 -78.88528      
95.60056 -13.89730      134.8699 13.76501 6.461397 18.63758 8.345469 -4.872577 
10.55445 
1 1 1 5   -29 5  o 20.45690 5.828609  52.18538       73.82685 10.28974       
89.71277 140.0800       129.9424 16.38620 7.091431 24.52761 9.252152 -8.141405 
11.65722 
1 1 1 5   -29 6  o 39.56403 5.360220  377.6374       81.22154 366.9759       
98.18268 400.7514       144.5647 40.01867 5.843773 39.10938 8.987668 0.9092827 
10.72044 
1 1 1 5   -29 7  o 26.76947 6.377574  175.8335       80.20243 142.7774       
96.68696 248.7537       143.6039 23.81560 8.090975 29.72334 9.860525 -5.907743 
12.75515 
1 1 1 5   -29 8  o 22.03821 6.403332  102.8166       95.25723 75.65784       
130.9824 133.3071       138.7840 20.72757 8.754858 23.34886 9.346824 -2.621288 
12.80666 
1 1 1 5   -29 9  o 21.38361 6.399306  91.74161       100.5742 146.0701       
145.8966 42.54637       138.8331 23.37896 9.490043 19.38826 8.587407 3.990702 
12.79861 
1 1 1 5   -28 0  f 30.09865 6.043991  201.1878       78.14994 155.6408       
97.43427 283.3415       130.8565 25.94341 8.084222 34.25389 8.986916 -8.310484 
12.08798 
1 1 1 5   -28 1  o 54.58255 3.800478  651.5155       82.13222 650.4099       
100.8126 653.6980       141.6366 54.89145 4.374528 54.27365 6.215949 0.6177979 
7.600955 
1 1 1 5   -28 2  o 27.61945 6.016217  184.7683       81.26263 243.7586       
106.4002 102.1908       125.8875 31.90309 7.960797 23.33580 9.022483 8.567284 
12.03243 
1 1 1 5   -28 3  o 28.57269 6.083402  193.2781       76.03106 181.5605       
93.67033 215.9067       130.1697 27.54127 7.766363 29.60411 9.365614 -2.062841 
12.16680 
1 1 1 5   -28 4  o 53.96313 4.242797  623.1666       90.22301 570.7296       
108.3735 741.5834       162.8585 50.92429 5.068964 57.00198 6.805212 -6.077694 
8.485594 
1 1 1 5   -28 5  o 47.12004 4.608354  492.4614       82.47259 473.4726       
97.21386 541.2218       155.7804 46.32141 4.998819 47.91866 7.743353 -1.597248 
9.216708 
1 1 1 5   -28 6  o 20.34282 5.848193  65.91480       75.39072 69.15089       
92.48671 59.50611       130.1529 19.63454 7.704081 21.05109 8.800715 -1.416546 
11.69639 
1 1 1 5   -28 7  o 45.62462 5.352584  534.2505       90.42422 603.6027       
112.0953 405.0450       153.0024 51.97429 5.137124 39.27496 9.392049 12.69933 
10.70517 
1 1 1 5   -28 8  o 38.47137 5.938518  399.5009       92.64995 465.3941       
116.7006 287.1619       152.3764 44.83616 6.199631 32.10659 10.13058 12.72957 
11.87704 
1 1 1 5   -28 9  o 27.74227 9.915389  213.1842       146.5356 0.000000       
0.000000 213.1842       146.5356 ?        ?        27.74227 9.915389 ? ? 
1 1 1 5   -28 10 o 17.28879 7.883468  -18.29109      127.6276 0.000000       
0.000000 -18.29109      127.6276 ?        ?        17.28879 7.883468 ? ? 
1 1 1 5   -28 11 o 20.10030 8.728447  67.99577       136.7895 67.99577       
136.7895 0.000000       0.000000 20.10030 8.728447 ?        ?        ? ? 
1 1 1 5   -27 0  o 63.93951 3.431037  899.1944       88.44524 960.4730       
112.9925 802.2518       142.1190 67.06386 4.013121 60.81517 5.566231 6.248688 
6.862074 
1 1 1 5   -27 1  o 78.91011 3.615348  1372.491       113.6292 1436.041       
142.1616 1260.063       189.0867 81.89358 4.134792 75.92664 5.931818 5.966942 
7.230697 
1 1 1 5   -27 2  o 53.49529 3.724906  608.3685       80.91557 570.8755       
100.9721 675.6591       135.2707 51.43663 4.675737 55.55396 5.799757 -4.117332 
7.449812 
1 1 1 5   -27 3  o 38.31849 5.543892  334.8015       81.34102 326.0414       
97.36452 355.0425       148.0003 38.44500 6.032286 38.19197 9.303252 0.2530289 
11.08778 
1 1 1 5   -27 4  o 71.36893 3.896685  1127.012       111.6061 1148.558       
139.8377 1089.204       185.2355 72.80947 4.574647 69.92839 6.309456 2.881081 
7.793371 
1 1 1 5   -27 5  o 29.61068 6.292823  215.2860       82.88890 224.7123       
102.2228 197.1902       141.6341 30.58206 7.905838 28.63931 9.792661 1.942755 
12.58565 
1 1 1 5   -27 6  o 22.53680 6.099199  100.0379       79.01640 107.2263       
98.51482 87.07233       132.3067 22.40142 8.117633 22.67217 9.105216 
-0.2707539     12.19840 
1 1 1 5   -27 7  o 31.29819 6.224220  243.1772       83.57552 232.7532       
106.4794 259.9038       134.8810 30.72807 8.127456 31.86831 9.429111 -1.140236 
12.44844 
1 1 1 5   -27 8  o 19.82835 6.087809  9.310389       92.92140 82.39812       
148.3115 -37.91848      119.2220 22.76594 9.448110 16.89075 7.679771 5.875185 
12.17562 
1 1 1 5   -27 9  o 26.90682 9.046623  184.4044       120.8758 0.000000       
0.000000 184.4044       120.8758 ?        ?        26.90682 9.046623 ? ? 
1 1 1 5   -27 10 o 37.23990 8.362207  355.5995       127.5276 0.000000       
0.000000 355.5995       127.5276 ?        ?        37.23990 8.362207 ? ? 
1 1 1 5   -27 11 o 26.93563 9.772280  199.6602       142.8062 199.6602       
142.8062 0.000000       0.000000 26.93563 9.772280 ?        ?        ? ? 
1 1 1 5   -27 12 o 18.76679 8.087683  46.79980       115.7629 46.79980       
115.7629 0.000000       0.000000 18.76679 8.087683 ?        ?        ? ? 
1 1 1 5   -27 13 o 37.44800 9.435440  417.4567       148.3824 417.4567       
148.3824 0.000000       0.000000 37.44800 9.435440 ?        ?        ? ? 
1 1 1 5   -26 0  o 124.8783 4.228721  3442.385       202.9722 3563.829       
245.2062 3178.061       361.7526 129.2172 4.519935 120.5393 7.148322 8.677895 
8.457441 
1 1 1 5   -26 1  o 71.14095 3.563360  1111.516       102.3147 1192.988       
131.1010 984.5851       163.6386 74.80189 4.174597 67.48000 5.776062 7.321884 
7.126721 
1 1 1 5   -26 2  o 23.21524 5.621494  114.5568       69.58379 157.1249       
84.63021 25.73024       122.2517 26.25776 7.374889 20.17271 8.486211 6.085052 
11.24299 
1 1 1 5   -26 3  o 55.71382 3.847852  694.0722       83.35255 736.3799       
102.4252 611.1151       143.4245 58.67337 4.158021 52.75426 6.475704 5.919109 
7.695705 
1 1 1 5   -26 4  o 29.64025 5.654040  188.9750       74.33430 110.7141       
95.68095 308.1282       118.0609 22.96229 8.031365 36.31822 7.960518 -13.35593 
11.30808 
1 1 1 5   -26 5  o 39.20086 5.466625  411.3530       81.21603 509.2253       
99.18772 212.2356       141.4759 48.48156 4.873067 29.92015 9.787193 18.56142 
10.93325 
1 1 1 5   -26 6  o 19.76594 5.694038  8.491484       76.11723 -59.85484      
94.99467 131.0822       127.2244 14.55040 6.700879 24.98148 9.207958 -10.43108 
11.38808 
1 1 1 5   -26 7  o 31.66648 6.585957  235.9543       96.70234 350.5995       
147.0757 148.6502       128.3454 37.54318 9.354344 25.78978 9.273379 11.75341 
13.17191 
1 1 1 5   -26 8  o 38.61433 7.802971  357.1806       122.0728 0.000000       
0.000000 357.1806       122.0728 ?        ?        38.61433 7.802971 ? ? 
1 1 1 5   -26 9  o 54.98177 5.663473  676.2969       130.7316 0.000000       
0.000000 676.2969       130.7316 ?        ?        54.98177 5.663473 ? ? 
1 1 1 5   -26 10 o 44.86774 10.51449  542.4192       194.8117 542.4192       
194.8117 0.000000       0.000000 44.86774 10.51449 ?        ?        ? ? 
1 1 1 5   -26 11 o 22.63503 9.411275  87.49811       147.5842 87.49811       
147.5842 0.000000       0.000000 22.63503 9.411275 ?        ?        ? ? 
1 1 1 5   -26 12 o 18.99113 8.019873  45.09158       109.8782 45.09158       
109.8782 0.000000       0.000000 18.99113 8.019873 ?        ?        ? ? 
1 1 1 5   -26 13 o 13.25055 6.500743  -189.1027      123.2547 -189.1027      
123.2547 0.000000       0.000000 13.25055 6.500743 ?        ?        ? ? 
1 1 1 5   -26 14 o 24.69138 9.482637  175.9585       138.5328 175.9585       
138.5328 0.000000       0.000000 24.69138 9.482637 ?        ?        ? ? 
1 1 1 5   -25 0  o 102.2382 3.152807  2165.173       122.5926 2091.088       
144.2509 2357.829       232.6175 99.42723 3.455686 105.0492 5.274374 -5.621925 
6.305615 
1 1 1 5   -25 1  o 162.3072 4.070211  5665.334       274.8116 5722.090       
366.0131 5591.994       416.0648 163.4989 5.332155 161.1155 6.150984 2.383408 
8.140423 
1 1 1 5   -25 2  f 73.19716 3.328545  1143.432       95.48979 1143.219       
115.9689 1143.880       168.2790 73.40463 3.763044 72.98968 5.491480 0.4149551 
6.657091 
1 1 1 5   -25 3  f 36.16438 5.046226  295.0599       71.30624 303.1923       
88.02715 279.5396       121.6076 37.51530 5.588938 34.81347 8.403652 2.701824 
10.09245 
1 1 1 5   -25 4  o 76.61627 3.035700  1247.481       96.00666 1220.877       
124.3022 1286.818       151.1490 75.72003 3.910110 77.51250 4.644668 -1.792473 
6.071400 
1 1 1 5   -25 5  o 138.7527 4.866989  4289.460       267.3631 4393.128       
330.6629 4093.699       454.3868 142.3748 5.531890 135.1305 8.009277 7.244217 
9.733978 
1 1 1 5   -25 6  o 57.50095 4.413325  720.9722       103.6490 749.8112       
168.2990 703.3500       131.5587 58.13890 6.895025 56.86300 5.510751 1.275894 
8.826650 
1 1 1 5   -25 7  o 20.41137 8.169205  59.16037       105.9843 0.000000       
0.000000 59.16037       105.9843 ?        ?        20.41137 8.169205 ? ? 
1 1 1 5   -25 8  o 48.53074 5.998357  521.2432       122.2160 0.000000       
0.000000 521.2432       122.2160 ?        ?        48.53074 5.998357 ? ? 
1 1 1 5   -25 9  o 42.78910 9.965075  462.1333       175.8448 462.1333       
175.8448 0.000000       0.000000 42.78910 9.965075 ?        ?        ? ? 
1 1 1 5   -25 10 o 29.71121 11.64852  207.4548       211.3491 207.4548       
211.3491 0.000000       0.000000 29.71121 11.64852 ?        ?        ? ? 
1 1 1 5   -25 11 o 16.71351 7.387744  -8.370880      102.0535 -8.370880      
102.0535 0.000000       0.000000 16.71351 7.387744 ?        ?        ? ? 
1 1 1 5   -25 12 o 25.72884 8.482236  163.8941       106.2642 163.8941       
106.2642 0.000000       0.000000 25.72884 8.482236 ?        ?        ? ? 
1 1 1 5   -25 13 o 21.53278 8.497334  93.31988       113.0965 93.31988       
113.0965 0.000000       0.000000 21.53278 8.497334 ?        ?        ? ? 
1 1 1 5   -25 14 o 19.03489 8.281553  31.62880       123.5822 31.62880       
123.5822 0.000000       0.000000 19.03489 8.281553 ?        ?        ? ? 
1 1 1 5   -25 15 o 22.29535 10.11733  63.22985       204.7000 63.22985       
204.7000 0.000000       0.000000 22.29535 10.11733 ?        ?        ? ? 
1 1 1 5   -25 16 o 21.69562 6.806796  90.85896       121.5637 50.51393       
212.8264 110.3957       148.1004 21.58975 9.975787 21.80149 9.263561 
-0.2117386     13.61359 
1 1 1 5   -24 0  o 117.5242 3.825825  2758.416       157.6564 2618.641       
177.2028 3289.208       345.3168 111.2769 3.793034 123.7716 6.645348 -12.49474 
7.651650 
1 1 1 5   -24 1  o 32.34642 5.431159  219.1309       72.67176 149.3306       
92.24467 333.3316       117.9906 26.05841 7.815781 38.63444 7.543444 -12.57603 
10.86232 
1 1 1 5   -24 2  o 37.22086 5.213208  293.5154       76.21658 246.5085       
94.52646 380.8592       128.8513 33.18687 7.002318 41.25484 7.725135 -8.067966 
10.42642 
1 1 1 5   -24 3  o 119.3272 3.672738  2962.745       175.1595 2795.971       
214.2396 3298.980       304.1992 114.6695 4.450134 123.9850 5.843998 -9.315514 
7.345475 
1 1 1 5   -24 4  o 21.67908 6.217574  50.09039       86.69246 68.96292       
137.0926 37.51477       111.9087 23.18876 9.286795 20.16940 8.269724 3.019352 
12.43515 
1 1 1 5   -24 5  o 17.08013 7.546030  -24.49416      106.2934 0.000000       
0.000000 -24.49416      106.2934 ?        ?        17.08013 7.546030 ? ? 
1 1 1 5   -24 6  o 95.66505 4.831773  1962.484       194.0612 0.000000       
0.000000 1962.484       194.0612 ?        ?        95.66505 4.831773 ? ? 
1 1 1 5   -24 7  o 120.1318 7.686043  3217.849       387.6498 3217.849       
387.6498 0.000000       0.000000 120.1318 7.686043 ?        ?        ? ? 
1 1 1 5   -24 8  f 18.30389 8.308086  -56.25991      138.2209 -56.25991      
138.2209 0.000000       0.000000 18.30389 8.308086 ?        ?        ? ? 
1 1 1 5   -24 9  o 21.13870 8.457414  65.40312       113.5391 65.40312       
113.5391 0.000000       0.000000 21.13870 8.457414 ?        ?        ? ? 
1 1 1 5   -24 10 o 23.92300 8.920671  116.5966       120.0801 116.5966       
120.0801 0.000000       0.000000 23.92300 8.920671 ?        ?        ? ? 
1 1 1 5   -24 11 o 22.18538 8.466100  95.05450       109.8494 95.05450       
109.8494 0.000000       0.000000 22.18538 8.466100 ?        ?        ? ? 
1 1 1 5   -24 12 o 21.36366 8.092335  90.65192       99.75176 90.65192       
99.75176 0.000000       0.000000 21.36366 8.092335 ?        ?        ? ? 
1 1 1 5   -24 13 o 45.61454 5.842022  469.8105       111.8782 469.8105       
111.8782 0.000000       0.000000 45.61454 5.842022 ?        ?        ? ? 
1 1 1 5   -24 14 o 26.48747 8.710356  177.7303       112.0567 177.7303       
112.0567 0.000000       0.000000 26.48747 8.710356 ?        ?        ? ? 
1 1 1 5   -24 15 f 22.63694 10.18269  35.28525       202.8914 35.28525       
202.8914 0.000000       0.000000 22.63694 10.18269 ?        ?        ? ? 
1 1 1 5   -24 16 o 21.82434 9.075353  96.47543       137.2636 0.000000       
0.000000 96.47543       137.2636 ?        ?        21.82434 9.075353 ? ? 
1 1 1 5   -24 17 o 48.59729 5.113841  549.2945       104.3370 0.000000       
0.000000 549.2945       104.3370 ?        ?        48.59729 5.113841 ? ? 
1 1 1 5   -23 0  o 89.84698 3.254930  1757.453       110.6206 1827.322       
132.1310 1593.717       202.2716 93.09000 3.380826 86.60395 5.563118 6.486053 
6.509859 
1 1 1 5   -23 1  o 125.6694 4.188726  3305.991       191.8864 3246.481       
221.0919 3487.663       386.2973 123.8754 4.251174 127.4633 7.218673 -3.587967 
8.377453 
1 1 1 5   -23 2  o 115.1584 3.619545  2849.214       170.7019 2971.730       
221.3373 2669.375       268.1645 118.4206 4.451931 111.8961 5.708305 6.524422 
7.239091 
1 1 1 5   -23 3  f 54.23766 4.776892  643.9425       106.0593 569.3726       
163.3748 698.2596       139.4350 51.30755 7.584462 57.16776 5.809538 -5.860210 
9.553784 
1 1 1 5   -23 4  o 40.61275 6.348845  354.2621       108.2520 0.000000       
0.000000 354.2621       108.2520 ?        ?        40.61275 6.348845 ? ? 
1 1 1 5   -23 5  o 90.61940 6.432179  1769.058       244.7137 1769.058       
244.7137 0.000000       0.000000 90.61940 6.432179 ?        ?        ? ? 
1 1 1 5   -23 6  o 31.94488 7.595934  231.4721       100.5206 231.4721       
100.5206 0.000000       0.000000 31.94488 7.595934 ?        ?        ? ? 
1 1 1 5   -23 7  o 52.06097 5.051033  580.6827       110.4006 580.6827       
110.4006 0.000000       0.000000 52.06097 5.051033 ?        ?        ? ? 
1 1 1 5   -23 8  o 42.40353 5.863951  389.5301       104.3930 389.5301       
104.3930 0.000000       0.000000 42.40353 5.863951 ?        ?        ? ? 
1 1 1 5   -23 9  o 13.22041 6.312957  -118.9134      97.35598 -118.9134      
97.35598 0.000000       0.000000 13.22041 6.312957 ?        ?        ? ? 
1 1 1 5   -23 10 o 31.35462 8.474383  232.5237       114.2132 232.5237       
114.2132 0.000000       0.000000 31.35462 8.474383 ?        ?        ? ? 
1 1 1 5   -23 11 o 65.14153 4.848543  920.6161       132.6014 920.6161       
132.6014 0.000000       0.000000 65.14153 4.848543 ?        ?        ? ? 
1 1 1 5   -23 12 o 37.98346 6.011347  320.6784       95.86172 320.6784       
95.86172 0.000000       0.000000 37.98346 6.011347 ?        ?        ? ? 
1 1 1 5   -23 13 o 41.85213 6.181625  393.6888       108.6173 393.6888       
108.6173 0.000000       0.000000 41.85213 6.181625 ?        ?        ? ? 
1 1 1 5   -23 14 o 44.56852 6.479367  453.6619       121.2383 453.6619       
121.2383 0.000000       0.000000 44.56852 6.479367 ?        ?        ? ? 
1 1 1 5   -23 15 o 58.08648 9.569625  861.9415       233.3721 861.9415       
233.3721 0.000000       0.000000 58.08648 9.569625 ?        ?        ? ? 
1 1 1 5   -23 16 o 25.40009 9.638238  158.3792       141.7104 0.000000       
0.000000 158.3792       141.7104 ?        ?        25.40009 9.638238 ? ? 
1 1 1 5   -23 17 o 24.75529 6.113031  163.1948       77.92424 107.2101       
150.0718 183.8613       91.17949 22.82720 9.490661 26.68339 7.707397 -3.856188 
12.22606 
1 1 1 5   -23 18 o 25.47075 5.726048  135.3886       74.74673 326.9932       
127.3599 34.71499       92.31821 33.94319 8.847845 16.99831 7.270909 16.94488 
11.45210 
1 1 1 5   -22 0  o 91.58199 3.401257  1712.021       122.3427 1609.414       
146.8453 1944.865       221.2099 87.34843 4.004295 95.81554 5.499075 -8.467110 
6.802515 
1 1 1 5   -22 1  o 201.8980 5.759092  8701.432       450.9807 8634.708       
542.0102 8851.563       813.0210 201.4640 6.408126 202.3320 9.571023 
-0.8679504     11.51818 
1 1 1 5   -22 2  o 194.4030 10.30294  8239.374       840.8975 0.000000       
0.000000 8239.374       840.8975 ?        ?        194.4030 10.30294 ? ? 
1 1 1 5   -22 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -22 4  o 128.9941 8.154751  3599.062       441.6309 3599.062       
441.6309 0.000000       0.000000 128.9941 8.154751 ?        ?        ? ? 
1 1 1 5   -22 5  o 49.26871 5.119617  516.3987       105.8980 516.3987       
105.8980 0.000000       0.000000 49.26871 5.119617 ?        ?        ? ? 
1 1 1 5   -22 6  o 63.43073 3.723694  863.4567       97.59325 892.5417       
128.4913 823.8010       150.0350 64.79750 4.723202 62.06395 5.758033 2.733555 
7.447388 
1 1 1 5   -22 7  o 22.87933 5.863841  85.91022       75.43763 28.59376       
103.0406 152.1190       110.7455 19.16308 7.909235 26.59558 8.659244 -7.432505 
11.72768 
1 1 1 5   -22 8  o 85.45177 3.210474  1554.770       114.8944 1705.932       
164.8575 1412.007       160.2125 89.53017 4.385918 81.37337 4.689594 8.156807 
6.420948 
1 1 1 5   -22 9  o 49.32463 3.925788  525.8412       80.26140 537.9498       
106.2031 509.7157       122.5593 50.09562 5.049619 48.55364 6.012370 1.541985 
7.851576 
1 1 1 5   -22 10 o 59.68541 3.644607  764.8170       90.24321 752.4968       
118.4568 781.8569       139.3106 59.22359 4.764160 60.14723 5.516830 
-0.9236412     7.289214 
1 1 1 5   -22 11 o 75.41638 3.708311  1219.914       116.7309 1130.399       
155.1892 1336.550       177.1460 72.31686 5.111438 78.51591 5.373963 -6.199051 
7.416622 
1 1 1 5   -22 12 o 59.36195 5.821101  772.6346       145.0749 772.6346       
145.0749 0.000000       0.000000 59.36195 5.821101 ?        ?        ? ? 
1 1 1 5   -22 13 o 24.68814 7.840142  140.5641       91.15494 140.5641       
91.15494 0.000000       0.000000 24.68814 7.840142 ?        ?        ? ? 
1 1 1 5   -22 14 o 65.26113 4.848906  930.7348       132.8548 930.7348       
132.8548 0.000000       0.000000 65.26113 4.848906 ?        ?        ? ? 
1 1 1 5   -22 15 o 21.16705 9.768703  -69.97803      203.2861 -69.97803      
203.2861 0.000000       0.000000 21.16705 9.768703 ?        ?        ? ? 
1 1 1 5   -22 16 o 21.50655 9.142221  54.84803       144.3577 0.000000       
0.000000 54.84803       144.3577 ?        ?        21.50655 9.142221 ? ? 
1 1 1 5   -22 17 o 26.19041 7.958616  172.3075       95.23037 0.000000       
0.000000 172.3075       95.23037 ?        ?        26.19041 7.958616 ? ? 
1 1 1 5   -22 18 o 20.43786 5.956945  70.49842       78.03647 91.00916       
138.9194 61.04238       94.32504 22.02069 9.141766 18.85503 7.639954 3.165665 
11.91389 
1 1 1 5   -22 19 o 46.96121 4.869202  555.5150       85.24948 516.3199       
148.9342 574.6144       103.9658 43.85100 8.389117 50.07143 4.945628 -6.220428 
9.738404 
1 1 1 5   -22 20 o 21.94615 6.307488  118.4152       84.16154 129.9601       
166.5566 114.4567       97.52861 22.75950 9.751719 21.13280 8.002600 1.626707 
12.61498 
1 1 1 5   -21 0  o 80.61668 3.786563  1369.743       127.4192 1329.471       
170.2002 1421.095       192.1936 79.30120 5.112124 81.93215 5.587347 -2.630951 
7.573127 
1 1 1 5   -21 1  o 78.51472 4.789191  1302.273       157.8673 0.000000       
0.000000 1302.273       157.8673 ?        ?        78.51472 4.789191 ? ? 
1 1 1 5   -21 2  o 22.25199 8.767608  62.47231       120.2331 62.47231       
120.2331 0.000000       0.000000 22.25199 8.767608 ?        ?        ? ? 
1 1 1 5   -21 3  o 130.0794 4.834592  3577.622       264.0264 3577.622       
264.0264 0.000000       0.000000 130.0794 4.834592 ?        ?        ? ? 
1 1 1 5   -21 4  o 45.35951 4.223093  426.3644       79.32875 372.1573       
102.4378 507.5768       125.3842 41.86047 5.828772 48.85854 6.112566 -6.998070 
8.446185 
1 1 1 5   -21 5  o 66.92065 3.310873  953.7899       91.83163 1141.297       
131.0176 772.7139       128.7511 73.47518 4.247272 60.36612 5.080178 13.10907 
6.621747 
1 1 1 5   -21 6  o 32.37637 5.170409  254.3076       72.84299 355.4712       
93.87006 101.1806       115.4890 40.87607 5.469895 23.87666 8.775692 16.99941 
10.34082 
1 1 1 5   -21 7  o 26.36764 5.599444  134.7920       70.00459 66.31033       
90.65722 235.9359       110.1754 20.37667 7.715752 32.35861 8.116789 -11.98194 
11.19889 
1 1 1 5   -21 8  o 50.23148 3.546021  549.5092       68.86421 570.5782       
83.54936 504.8688       121.6146 51.91634 3.833188 48.54662 5.966887 3.369713 
7.092042 
1 1 1 5   -21 9  o 23.22498 5.676490  98.24184       68.40715 54.49656       
89.61560 159.3228       105.8939 19.51752 7.598768 26.93244 8.434979 -7.414928 
11.35298 
1 1 1 5   -21 10 o 32.87067 5.578906  241.2114       74.68192 221.2549       
95.30370 272.9639       120.2143 31.23687 7.376198 34.50446 8.371886 -3.267586 
11.15781 
1 1 1 5   -21 11 o 57.69728 3.702978  705.8151       89.02690 634.4766       
117.4965 801.9799       136.4177 54.34417 5.149834 61.05039 5.322349 -6.706223 
7.405956 
1 1 1 5   -21 12 o 46.03949 4.604736  468.1499       85.54530 367.5315       
117.0506 583.5099       125.3321 40.24555 7.186393 51.83343 5.759351 -11.58788 
9.209472 
1 1 1 5   -21 13 o 70.36457 4.411659  1064.141       130.3271 1064.141       
130.3271 0.000000       0.000000 70.36457 4.411659 ?        ?        ? ? 
1 1 1 5   -21 14 o 22.62822 9.926077  8.043554       180.5425 8.043554       
180.5425 0.000000       0.000000 22.62822 9.926077 ?        ?        ? ? 
1 1 1 5   -21 15 o 21.65266 9.895989  -64.08418      202.8462 -64.08418      
202.8462 0.000000       0.000000 21.65266 9.895989 ?        ?        ? ? 
1 1 1 5   -21 16 o 81.78091 6.646620  1522.314       228.2085 0.000000       
0.000000 1522.314       228.2085 ?        ?        81.78091 6.646620 ? ? 
1 1 1 5   -21 17 o 36.12034 6.928430  286.0168       84.03344 447.3696       
218.1031 257.8883       91.06408 39.29942 12.06494 32.94126 6.815401 6.358154 
13.85686 
1 1 1 5   -21 18 o 42.52173 6.002236  422.2919       88.73151 516.5147       
190.2982 396.1155       100.3025 43.27374 10.55427 41.76972 5.719673 1.504025 
12.00447 
1 1 1 5   -21 19 o 24.70033 5.997036  112.9688       78.03272 280.0052       
134.8248 28.83163       95.68816 31.96752 9.417224 17.43314 7.427898 14.53439 
11.99407 
1 1 1 5   -21 20 o 35.11905 6.192651  353.7820       86.69138 300.6531       
174.1656 371.2805       99.95328 30.67439 10.82518 39.56369 6.017571 -8.889299 
12.38530 
1 1 1 5   -21 21 o 31.42307 5.945639  317.6583       85.28529 170.0925       
181.6482 359.3857       96.59370 24.28423 10.28614 38.56192 5.966385 -14.27769 
11.89128 
1 1 1 5   -20 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -20 1  o 96.00224 3.975872  1942.964       160.2480 1942.964       
160.2480 0.000000       0.000000 96.00224 3.975872 ?        ?        ? ? 
1 1 1 5   -20 2  o 178.6255 5.578459  6847.032       390.1422 6915.327       
474.6401 6704.771       685.0323 180.5512 6.261597 176.6998 9.234135 3.851456 
11.15692 
1 1 1 5   -20 3  o 93.30934 3.430539  1830.398       130.0581 1804.196       
163.8687 1874.996       213.7900 92.48380 4.220378 94.13488 5.409511 -1.651085 
6.861078 
1 1 1 5   -20 4  o 153.6213 4.132609  4922.522       256.0646 4727.640       
317.6482 5284.195       432.7292 149.5318 5.059808 157.7108 6.535455 -8.179047 
8.265219 
1 1 1 5   -20 5  o 108.4760 2.973154  2353.506       125.2559 2163.360       
148.3371 2825.916       233.8118 101.3311 3.486808 115.6209 4.816716 -14.28981 
5.946308 
1 1 1 5   -20 6  o 37.44121 4.111018  282.7968       62.10482 247.8856       
76.15658 352.1047       107.3043 34.20004 5.303981 40.68238 6.282489 -6.482342 
8.222036 
1 1 1 5   -20 7  o 101.4878 2.930316  2178.569       117.6941 2182.195       
144.2353 2171.342       203.5984 101.7292 3.377125 101.2463 4.789785 0.4828491 
5.860632 
1 1 1 5   -20 8  o 47.22646 3.715091  477.0682       70.35939 484.3788       
87.81557 463.9611       117.5845 47.82592 4.373501 46.62698 6.006671 1.198940 
7.430182 
1 1 1 5   -20 9  o 122.8746 3.880565  3280.094       167.4264 3332.650       
191.2863 3107.967       346.1780 125.5621 3.628660 120.1871 6.860610 5.375053 
7.761130 
1 1 1 5   -20 10 o 83.44540 3.394057  1427.539       105.3884 1368.063       
122.1327 1600.934       208.5358 80.41345 3.617632 86.47736 5.743800 -6.063911 
6.788115 
1 1 1 5   -20 11 o 51.81287 3.735049  595.5124       75.24438 637.6057       
92.65015 513.9609       128.9601 54.80692 4.026538 48.81881 6.292006 5.988110 
7.470098 
1 1 1 5   -20 12 o 112.4071 4.549848  2730.843       214.1786 3013.950       
312.9724 2481.478       293.7310 117.9292 6.321289 106.8850 6.545668 11.04418 
9.099695 
1 1 1 5   -20 13 o 69.46245 4.400908  1072.889       122.8024 964.4931       
199.1351 1139.408       155.9960 66.16137 7.169095 72.76353 5.106470 -6.602165 
8.801816 
1 1 1 5   -20 14 o 32.34689 10.01626  249.3603       149.8868 249.3603       
149.8868 0.000000       0.000000 32.34689 10.01626 ?        ?        ? ? 
1 1 1 5   -20 15 o 21.47136 9.872427  -92.66328      205.2927 -92.66328      
205.2927 0.000000       0.000000 21.47136 9.872427 ?        ?        ? ? 
1 1 1 5   -20 16 o 35.55878 10.27229  320.4540       161.9534 0.000000       
0.000000 320.4540       161.9534 ?        ?        35.55878 10.27229 ? ? 
1 1 1 5   -20 17 o 30.03330 6.546277  241.1736       85.71381 96.56905       
216.9942 267.9073       93.30116 26.23864 11.18287 33.82796 6.808692 -7.589317 
13.09255 
1 1 1 5   -20 18 o 26.77773 5.980464  195.8645       80.97997 -25.14957      
193.4192 242.8403       89.17167 21.59627 9.809258 31.95919 6.844142 -10.36292 
11.96093 
1 1 1 5   -20 19 o 23.32855 5.324366  127.7561       71.48023 -23.52755      
119.7880 211.4135       89.07777 17.27604 7.794734 29.38106 7.255177 -12.10502 
10.64873 
1 1 1 5   -20 20 o 17.87609 5.691072  -8.107183      74.83838 43.82562       
158.2313 -23.07215      84.93942 21.24511 9.306124 14.50708 6.553570 6.738036 
11.38214 
1 1 1 5   -20 21 o 45.05053 6.193789  584.6928       95.83807 453.7276       
193.6311 627.1863       110.2956 37.66126 11.32935 52.43979 5.009775 -14.77853 
12.38758 
1 1 1 5   -20 22 o 27.46768 6.830257  211.8067       87.25024 294.5048       
180.6735 186.6553       99.63869 29.14447 10.92750 25.79089 8.197530 3.353579 
13.66051 
1 1 1 5   -19 0  o 148.2468 4.246156  4705.219       234.7943 4764.925       
275.9661 4548.696       446.8225 150.2900 4.373677 146.2036 7.279443 4.086411 
8.492311 
1 1 1 5   -19 1  o 67.17445 3.087639  927.1163       81.99439 881.3505       
99.22017 1025.685       145.6123 64.68010 3.653847 69.66879 4.978299 -4.988693 
6.175278 
1 1 1 5   -19 2  o 151.7594 4.502084  4940.796       264.8723 5029.157       
320.1351 4749.043       471.5990 154.2657 4.942936 149.2530 7.526116 5.012711 
9.004168 
1 1 1 5   -19 3  o 93.92326 3.080443  1907.010       96.51657 1937.913       
108.1567 1786.172       213.8684 95.98776 2.683851 91.85876 5.545580 4.128998 
6.160886 
1 1 1 5   -19 4  o 189.4861 2.829677  7525.393       221.0703 7799.649       
349.9008 7343.179       285.2062 192.2722 4.334605 186.7000 3.638612 5.572220 
5.659355 
1 1 1 5   -19 5  o 47.62246 2.933419  484.5580       57.79985 528.4361       
77.83340 430.6098       86.30398 50.08014 3.701873 45.16478 4.551474 4.915359 
5.866837 
1 1 1 5   -19 6  o 140.0098 3.317213  4220.945       184.0480 4401.353       
228.4065 3886.933       310.7872 144.5121 3.764655 135.5074 5.462874 9.004715 
6.634427 
1 1 1 5   -19 7  o 41.07964 3.669293  354.4211       60.67181 347.7204       
75.39894 366.7298       102.1906 40.57864 4.425770 41.58065 5.853837 -1.002010 
7.338586 
1 1 1 5   -19 8  o 32.99416 4.670197  237.5714       62.17311 215.4019       
83.02849 265.8704       93.80692 31.22549 6.543513 34.76282 6.665236 -3.537334 
9.340393 
1 1 1 5   -19 9  o 178.9287 3.943838  6804.941       295.7627 6841.226       
431.4579 6772.776       406.2248 179.3151 5.731161 178.5423 5.419338 0.7728119 
7.887676 
1 1 1 5   -19 10 o 124.1030 3.161977  3251.177       164.4082 3041.235       
224.1455 3495.660       241.8829 119.7881 4.456946 128.4179 4.486427 -8.629837 
6.323954 
1 1 1 5   -19 11 o 73.95433 3.922228  1169.801       121.4647 1135.922       
176.6619 1200.177       167.2762 72.88494 5.773328 75.02372 5.310760 -2.138779 
7.844456 
1 1 1 5   -19 12 o 94.40376 4.254909  1873.735       166.0247 1697.155       
213.2923 2145.205       264.4630 88.98772 5.709079 99.81981 6.310579 -10.83208 
8.509817 
1 1 1 5   -19 13 o 98.13444 4.364099  2094.054       178.0382 1952.471       
265.2499 2210.140       240.1806 94.86934 6.659635 101.3995 5.641869 -6.530197 
8.728197 
1 1 1 5   -19 14 o 62.29270 7.126119  851.9869       186.3671 851.9869       
186.3671 0.000000       0.000000 62.29270 7.126119 ?        ?        ? ? 
1 1 1 5   -19 15 o 51.62775 6.678718  586.6741       144.7622 586.6741       
144.7622 0.000000       0.000000 51.62775 6.678718 ?        ?        ? ? 
1 1 1 5   -19 16 o 49.63710 6.131764  542.3442       127.7823 0.000000       
0.000000 542.3442       127.7823 ?        ?        49.63710 6.131764 ? ? 
1 1 1 5   -19 17 o 18.53073 5.987171  -46.62599      69.61670 64.05759       
189.3152 -63.93355      74.86206 24.64758 10.47322 12.41388 5.804874 12.23370 
11.97434 
1 1 1 5   -19 18 o 21.22150 6.383403  53.92643       77.07520 12.78845       
206.9053 60.55482       83.05280 23.58177 10.45918 18.86122 7.320995 4.720551 
12.76681 
1 1 1 5   -19 19 f 36.61534 5.295749  345.4557       76.52092 230.3533       
126.0845 412.5725       96.27979 30.13815 9.157447 43.09253 5.321746 -12.95438 
10.59150 
1 1 1 5   -19 20 o 25.33168 7.848681  157.9285       92.01504 0.000000       
0.000000 157.9285       92.01504 ?        ?        25.33168 7.848681 ? ? 
1 1 1 5   -19 21 o 28.81168 6.533199  211.6754       83.13490 246.8407       
159.9758 198.6652       97.30595 29.70388 10.38535 27.91947 7.929389 1.784410 
13.06640 
1 1 1 5   -19 22 o 28.10352 7.171344  199.3218       94.09937 319.1574       
200.8034 165.6008       106.5192 31.23840 11.55819 24.96865 8.492409 6.269751 
14.34269 
1 1 1 5   -19 23 o 22.09983 5.833748  111.0676       94.76791 -213.4130      
184.7275 226.9691       110.4032 16.08464 7.912718 28.11502 8.574344 -12.03038 
11.66750 
1 1 1 5   -18 0  o 55.77016 3.456272  645.9445       76.74948 624.7961       
93.88199 688.5583       133.2655 54.45753 4.106250 57.08279 5.560753 -2.625263 
6.912544 
1 1 1 5   -18 1  o 267.2436 7.881598  15398.06       736.2739 15380.53       
836.5434 15458.32       1550.974 268.9857 7.407649 265.5016 13.91421 3.484131 
15.76320 
1 1 1 5   -18 2  o 217.1882 3.532551  9870.044       318.7029 10580.93       
494.2198 9363.981       416.9865 223.7478 5.261170 210.6285 4.715480 13.11931 
7.065102 
1 1 1 5   -18 3  o 154.5273 2.609663  4994.998       168.7062 5527.041       
251.1156 4557.308       227.7634 161.9741 3.692743 147.0806 3.688499 14.89355 
5.219327 
1 1 1 5   -18 4  o 235.9092 3.417978  11936.71       309.9993 12219.40       
372.7448 11302.57       558.2797 240.8215 3.686696 230.9969 5.756610 9.824646 
6.835956 
1 1 1 5   -18 5  o 204.5245 4.727451  8883.844       372.9731 8876.750       
446.8714 8900.131       677.1379 204.8806 5.195205 204.1684 7.899684 0.7122803 
9.454902 
1 1 1 5   -18 6  o 184.2929 3.923974  7167.382       303.0681 7546.316       
445.1570 6840.001       413.7683 188.8014 5.616025 179.7845 5.481837 9.016907 
7.847948 
1 1 1 5   -18 7  o 53.23952 3.309450  624.2524       70.76501 770.2382       
95.70630 448.1806       105.1066 60.45748 3.770610 46.02156 5.439884 14.43591 
6.618900 
1 1 1 5   -18 8  o 38.80058 4.107603  332.5871       62.64063 435.1390       
88.33947 228.8767       88.83707 45.39024 4.635679 32.21093 6.782337 13.17931 
8.215206 
1 1 1 5   -18 9  o 117.7892 3.341341  2951.502       163.9189 3117.581       
222.3623 2753.835       242.5889 121.5027 4.359095 114.0756 5.065228 7.427032 
6.682683 
1 1 1 5   -18 10 o 114.4572 3.713575  2769.558       178.1582 2951.007       
260.9604 2611.163       243.8196 117.9531 5.269705 110.9614 5.233809 6.991768 
7.427149 
1 1 1 5   -18 11 o 88.69981 3.842896  1638.983       140.3991 1847.503       
226.0949 1508.110       179.1190 93.12070 5.783165 84.27894 5.062251 8.841759 
7.685791 
1 1 1 5   -18 12 o 41.20232 5.616241  396.7734       94.16161 187.7750       
134.2591 599.0932       132.0965 29.47336 9.530691 52.93129 5.944289 -23.45794 
11.23248 
1 1 1 5   -18 13 o 26.43354 6.512444  141.3807       88.00327 134.5342       
137.8793 146.0872       114.3169 26.53158 9.604534 26.33551 8.797762 0.1960735 
13.02489 
1 1 1 5   -18 14 o 30.20346 6.671806  197.7809       92.45143 244.8092       
147.0745 167.0583       118.8740 32.74572 9.878517 27.66119 8.970334 5.084526 
13.34361 
1 1 1 5   -18 15 f 91.30122 5.221820  1790.637       200.1601 1790.637       
200.1601 0.000000       0.000000 91.30122 5.221820 ?        ?        ? ? 
1 1 1 5   -18 16 o 43.97744 7.074453  427.0711       130.6176 0.000000       
0.000000 427.0711       130.6176 ?        ?        43.97744 7.074453 ? ? 
1 1 1 5   -18 17 o 63.95995 4.775745  908.2681       128.0966 884.6660       
183.8344 930.5430       178.5912 63.05326 6.944489 64.86663 6.557823 -1.813366 
9.551491 
1 1 1 5   -18 18 o 44.08970 6.468409  480.6860       90.83946 437.3133       
216.7850 489.9237       100.0465 40.74866 11.92137 47.43074 5.024155 -6.682087 
12.93682 
1 1 1 5   -18 19 o 62.05196 3.575851  849.8340       90.56940 817.9393       
144.3246 870.5540       116.3257 60.75178 5.658514 63.35213 4.373565 -2.600346 
7.151702 
1 1 1 5   -18 20 o 69.36510 3.912876  1085.267       107.6846 1028.995       
181.6375 1115.764       133.7183 67.24889 6.433414 71.48130 4.455735 -4.232407 
7.825751 
1 1 1 5   -18 21 o 20.37267 5.947067  59.16912       84.29918 -51.05502      
158.0365 103.0039       99.66174 18.91442 8.682139 21.83091 8.129630 -2.916483 
11.89413 
1 1 1 5   -18 22 o 22.13645 6.494859  76.37002       88.45693 139.1343       
174.1989 54.56301       102.6803 25.14432 10.31495 19.12858 7.895219 6.015736 
12.98972 
1 1 1 5   -18 23 o 41.72934 6.414792  494.4105       100.6840 418.8658       
191.9690 523.0769       118.2539 36.25694 11.35735 47.20175 5.967309 -10.94481 
12.82958 
1 1 1 5   -18 24 o 17.77222 5.553908  15.68963       87.19137 -191.1344      
174.7274 84.26920       100.6139 15.92704 7.793839 19.61739 7.914521 -3.690351 
11.10782 
1 1 1 5   -17 0  o 239.2327 3.786118  11961.56       377.9381 13065.54       
574.6143 11119.84       501.7377 248.8392 5.500204 229.6261 5.204470 19.21304 
7.572235 
1 1 1 5   -17 1  o 23.01345 4.483715  117.2577       45.03574 135.0909       
59.16729 92.69519       69.43907 24.79990 5.783494 21.22701 6.853174 3.572893 
8.967429 
1 1 1 5   -17 2  o 87.60764 2.177490  1602.645       79.54994 1709.914       
121.1146 1521.257       105.4967 90.16077 3.199632 85.05450 2.954355 5.106277 
4.354981 
1 1 1 5   -17 3  o 138.7799 2.388863  4068.151       134.4121 4112.094       
169.8579 3994.539       219.8430 139.8325 2.893335 137.7274 3.802011 2.105087 
4.777727 
1 1 1 5   -17 4  o 84.57028 2.675902  1475.389       84.85757 1438.810       
99.10166 1575.910       164.2832 82.70889 2.853973 86.43169 4.527321 -3.722801 
5.351803 
1 1 1 5   -17 5  o 162.0748 4.204181  5635.285       264.9166 5758.215       
321.2381 5373.954       468.3740 165.1626 4.632723 158.9870 7.017011 6.175598 
8.408362 
1 1 1 5   -17 6  o 36.54584 3.895621  273.4083       58.67248 235.4405       
74.76231 334.2866       94.66879 33.36045 5.337918 39.73123 5.675392 -6.370781 
7.791242 
1 1 1 5   -17 7  o 53.57164 3.122827  598.2005       68.47383 573.7666       
86.80397 638.4507       111.4106 52.16898 3.963222 54.97431 4.827117 -2.805332 
6.245654 
1 1 1 5   -17 8  o 256.2023 5.299616  13966.31       556.7485 14085.91       
889.5286 13889.28       713.8625 256.6964 8.253937 255.7083 6.649529 0.9881897 
10.59923 
1 1 1 5   -17 9  o 79.91180 3.767853  1335.847       119.4364 1397.086       
208.0498 1305.743       145.8672 81.16570 6.105423 78.65792 4.417090 2.507774 
7.535707 
1 1 1 5   -17 10 o 62.40897 3.534717  820.3284       91.91771 849.9540       
139.8273 797.7843       121.9761 63.37307 5.255429 61.44486 4.728358 1.928204 
7.069435 
1 1 1 5   -17 11 o 81.87789 3.660547  1422.186       122.7059 1411.323       
196.1701 1429.169       157.2713 81.53648 5.730623 82.21930 4.556137 
-0.6828156     7.321095 
1 1 1 5   -17 12 o 66.51815 4.030228  948.0471       108.7566 914.1320       
176.5678 968.7801       138.0534 65.43268 6.427436 67.60362 4.864053 -2.170944 
8.060455 
1 1 1 5   -17 13 o 116.2197 4.658893  2872.325       223.9409 2761.149       
290.2567 3035.830       351.9993 113.6460 6.083442 118.7934 7.057822 -5.147408 
9.317785 
1 1 1 5   -17 14 o 40.67921 6.079176  325.5991       102.6248 605.1810       
174.2072 177.0088       127.0009 52.75526 7.865410 28.60316 9.271509 24.15211 
12.15835 
1 1 1 5   -17 15 o 50.06217 6.903380  543.1653       145.0943 543.1653       
145.0943 0.000000       0.000000 50.06217 6.903380 ?        ?        ? ? 
1 1 1 5   -17 16 o 26.27913 9.358607  139.6670       130.4360 0.000000       
0.000000 139.6670       130.4360 ?        ?        26.27913 9.358607 ? ? 
1 1 1 5   -17 17 o 60.20839 4.555084  785.1881       114.3409 853.5090       
174.5643 733.8503       151.3203 62.39722 6.663634 58.01955 6.212176 4.377670 
9.110168 
1 1 1 5   -17 18 o 35.06879 5.840826  333.4386       84.75427 142.2720       
163.0580 404.2055       99.20901 27.03486 10.31527 43.10271 5.482361 -16.06784 
11.68165 
1 1 1 5   -17 19 o 13.50667 4.587998  -128.4547      72.44138 -128.1631      
117.0690 -128.6357      92.21684 14.62591 6.968547 12.38743 5.969778 2.238487 
9.175996 
1 1 1 5   -17 20 o 41.03770 4.922512  363.6196       80.31611 481.6900       
138.0560 303.2146       98.74641 45.92665 7.159979 36.14876 6.757159 9.777885 
9.845024 
1 1 1 5   -17 21 o 19.36637 5.963360  1.348248       80.27274 82.82893       
157.6558 -27.16838      93.26782 23.39379 9.726952 15.33894 6.901670 8.054846 
11.92672 
1 1 1 5   -17 22 f 33.03624 6.345215  245.7388       86.31967 411.2985       
157.5750 174.7558       103.1780 39.59261 9.571500 26.47987 8.332672 13.11274 
12.69043 
1 1 1 5   -17 23 o 26.30620 6.894097  142.7931       90.31706 282.9732       
182.5221 97.33994       103.9333 31.24072 11.07609 21.37168 8.211854 9.869038 
13.78819 
1 1 1 5   -17 24 o 22.30865 6.409824  76.12188       88.90544 213.8086       
161.7507 16.51874       106.4228 27.25614 10.31048 17.36117 7.618223 9.894968 
12.81965 
1 1 1 5   -17 25 o 42.34808 6.441641  494.9697       102.4729 556.2369       
195.5222 471.7677       120.3217 41.06237 11.08326 43.63380 6.568132 -2.571430 
12.88328 
1 1 1 5   -16 0  o 346.0028 8.262955  25360.66       1200.312 25360.66       
1200.312 0.000000       0.000000 346.0028 8.262955 ?        ?        ? ? 
1 1 1 5   -16 1  o 217.4543 3.803722  9968.123       347.2373 10002.35       
488.7288 9933.237       493.4406 217.8372 5.343884 217.0715 5.414435 0.7657166 
7.607444 
1 1 1 5   -16 2  o 41.49863 2.979606  371.5883       50.60222 439.9403       
69.09837 292.5363       74.31025 45.73292 3.598819 37.26434 4.749811 8.468578 
5.959211 
1 1 1 5   -16 3  o 231.7258 5.539982  11162.32       438.8096 10999.08       
492.1557 11795.24       969.0823 228.3792 5.132951 235.0724 9.819287 -6.693268 
11.07996 
1 1 1 5   -16 4  o 13.94853 4.311405  -18.04271      46.73821 -31.45469      
59.44083 3.679555       75.64687 12.16853 5.490523 15.72853 6.648835 -3.560007 
8.622809 
1 1 1 5   -16 5  o 137.2117 2.959972  3902.620       166.3176 4252.267       
271.2936 3692.084       210.5177 142.0082 4.550375 132.4151 3.786797 9.593124 
5.919944 
1 1 1 5   -16 6  o 55.99446 2.873359  661.6410       67.06232 668.1115       
89.86634 653.5092       100.7439 56.31770 3.800784 55.67122 4.310315 0.6464806 
5.746718 
1 1 1 5   -16 7  o 128.5734 3.544330  3418.153       180.1358 3279.232       
218.3558 3714.129       318.7200 124.7013 4.170756 132.4454 5.731832 -7.744087 
7.088660 
1 1 1 5   -16 8  o 32.87284 5.517763  225.5646       73.02118 303.3181       
122.8508 183.0872       90.80232 36.96984 8.134981 28.77584 7.456871 8.194006 
11.03553 
1 1 1 5   -16 9  o 107.0186 3.866822  2405.886       168.8441 2498.335       
275.4265 2350.227       213.7101 108.5584 6.043149 105.4787 4.825932 3.079697 
7.733644 
1 1 1 5   -16 10 o 48.35760 4.138042  506.0585       78.51274 464.3939       
135.0003 527.3532       96.51312 46.73632 6.880203 49.97889 4.599608 -3.242569 
8.276085 
1 1 1 5   -16 11 o 24.38904 6.019652  116.1564       75.47789 70.47775       
128.8483 140.0195       93.12926 23.18578 9.094138 25.59229 7.889328 -2.406511 
12.03930 
1 1 1 5   -16 12 o 127.3138 4.641354  3453.765       246.5288 3408.953       
368.4886 3490.076       331.6956 126.4631 6.940351 128.1645 6.164431 -1.701439 
9.282708 
1 1 1 5   -16 13 o 170.5257 6.552694  6216.526       433.9972 6068.917       
520.4769 6553.352       786.2292 168.2656 7.367621 172.7858 10.83833 -4.520203 
13.10539 
1 1 1 5   -16 14 o 88.82983 3.779848  1674.735       140.6106 1734.146       
207.6706 1624.441       191.0717 90.25058 5.480827 87.40909 5.206681 2.841492 
7.559696 
1 1 1 5   -16 15 o 70.87135 5.700561  1073.533       169.6162 1073.533       
169.6162 0.000000       0.000000 70.87135 5.700561 ?        ?        ? ? 
1 1 1 5   -16 16 o 83.65891 6.857183  1514.611       240.8446 0.000000       
0.000000 1514.611       240.8446 ?        ?        83.65891 6.857183 ? ? 
1 1 1 5   -16 17 o 56.79681 5.083939  698.7210       120.5760 765.3639       
182.4630 647.0584       160.6521 59.12934 7.350095 54.46428 7.025798 4.665062 
10.16788 
1 1 1 5   -16 18 o 30.17898 6.375469  215.3987       82.36388 165.4902       
164.5120 232.0931       95.14727 28.50350 10.47416 31.85446 7.271754 -3.350962 
12.75094 
1 1 1 5   -16 19 o 37.14352 6.034070  310.2702       82.98134 340.1311       
168.6822 300.7365       95.31185 37.25780 10.39482 37.02925 6.130883 0.2285423 
12.06814 
1 1 1 5   -16 20 f 24.83558 6.464317  95.87802       82.82948 221.4460       
157.5765 47.93671       97.36589 30.43406 10.32910 19.23710 7.775551 11.19695 
12.92863 
1 1 1 5   -16 21 o 78.34985 4.218051  1349.624       134.4102 1437.173       
221.6242 1298.686       169.0481 79.82114 6.613333 76.87856 5.237525 2.942589 
8.436103 
1 1 1 5   -16 22 o 57.39538 4.652558  714.0117       103.6973 855.1049       
192.3726 656.2228       123.1154 60.44094 7.581114 54.34982 5.395544 6.091125 
9.305116 
1 1 1 5   -16 23 o 65.05595 4.982251  932.5112       123.3465 1140.423       
237.3347 855.5715       144.3765 68.46719 8.256573 61.64470 5.578556 6.822491 
9.964501 
1 1 1 5   -16 24 o 33.02132 6.591383  315.2502       98.97543 202.9754       
177.9118 365.5722       119.1083 27.69549 10.72228 38.34714 7.669290 -10.65165 
13.18277 
1 1 1 5   -16 25 o 24.76056 6.825973  145.2157       91.38548 214.1344       
184.0201 122.6554       105.2857 27.15729 10.80035 22.36382 8.350338 4.793467 
13.65195 
1 1 1 5   -16 26 o 19.25746 6.043357  45.54639       94.34708 21.71809       
167.5442 56.61097       114.1696 19.70274 9.000202 18.81219 8.067529 0.8905563 
12.08671 
1 1 1 5   -15 0  o 196.9313 3.043985  8154.427       251.6273 8018.987       
351.7941 8296.306       360.0595 195.2588 4.291400 198.6039 4.318247 -3.345169 
6.087970 
1 1 1 5   -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -15 2  o 109.5503 2.843397  2542.084       115.5364 2562.598       
135.1274 2486.323       222.7861 110.4299 2.914592 108.6707 4.883112 1.759262 
5.686794 
1 1 1 5   -15 3  o 132.1774 2.946680  3750.869       152.9578 3899.775       
187.9619 3458.938       263.1817 136.1992 3.287126 128.1555 4.891471 8.043701 
5.893360 
1 1 1 5   -15 4  o 218.1841 4.359276  10144.89       390.7773 10550.92       
509.0867 9562.481       609.7096 223.6912 5.420807 212.6770 6.828471 11.01413 
8.718553 
1 1 1 5   -15 5  o 108.5362 3.116718  2494.415       136.3008 2529.517       
170.9649 2433.188       225.7916 109.6423 3.714070 107.4301 5.006137 2.212105 
6.233436 
1 1 1 5   -15 6  o 64.36021 2.529098  855.0973       66.94772 794.8477       
85.23501 952.1285       108.1675 61.46892 3.302809 67.25151 3.831031 -5.782593 
5.058196 
1 1 1 5   -15 7  o 170.6992 5.665341  6104.965       392.5290 6585.074       
653.8793 5834.471       490.8030 175.5927 8.869768 165.8057 7.050643 9.786926 
11.33068 
1 1 1 5   -15 8  o 41.71827 4.513037  396.9572       71.95358 297.3941       
114.9059 461.1818       92.28771 36.69301 7.704220 46.74353 4.702658 -10.05052 
9.026073 
1 1 1 5   -15 9  o 210.6069 5.615980  9431.690       461.2616 9571.512       
823.3505 9367.734       556.8502 211.0914 9.290420 210.1225 6.312291 0.9689026 
11.23196 
1 1 1 5   -15 10 o 61.37973 3.846253  813.0389       94.57877 741.4133       
155.5885 855.0173       119.1122 59.11192 6.269364 63.64754 4.457545 -4.535622 
7.692505 
1 1 1 5   -15 11 o 52.99102 3.867313  595.8943       85.39853 579.3796       
127.8314 609.2058       114.7658 52.29784 5.822036 53.68420 5.091987 -1.386356 
7.734626 
1 1 1 5   -15 12 f 59.86926 3.950675  768.6339       97.26502 704.6189       
149.9557 815.1258       127.7940 57.63059 6.197707 62.10792 4.900997 -4.477333 
7.901350 
1 1 1 5   -15 13 o 188.4730 6.383000  7658.278       503.9652 7270.702       
723.5981 8023.383       702.3076 183.6469 9.385013 193.2991 8.654035 -9.652176 
12.76600 
1 1 1 5   -15 14 o 85.23474 4.303868  1543.722       153.1361 1525.119       
205.3550 1567.026       229.8423 84.71494 5.773860 85.75454 6.384015 -1.039604 
8.607736 
1 1 1 5   -15 15 o 124.9961 7.045679  3353.876       369.7416 3353.876       
369.7416 0.000000       0.000000 124.9961 7.045679 ?        ?        ? ? 
1 1 1 5   -15 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -15 17 o 58.85162 5.213656  762.8572       126.8019 666.6121       
188.2347 842.8167       171.5714 55.19292 8.123389 62.51033 6.537538 -7.317402 
10.42731 
1 1 1 5   -15 18 o 54.47823 4.602364  652.7407       94.16465 621.5500       
175.8073 665.2885       111.5082 53.14863 7.878905 55.80782 4.759189 -2.659195 
9.204728 
1 1 1 5   -15 19 o 46.76873 4.571994  446.9167       83.39277 563.0499       
155.3556 399.9095       98.83960 50.50449 7.326860 43.03296 5.470800 7.471535 
9.143989 
1 1 1 5   -15 20 o 44.12571 5.589213  518.5695       89.14551 274.5489       
154.3719 640.6572       109.1921 33.73672 10.10920 54.51470 4.770880 -20.77798 
11.17843 
1 1 1 5   -15 21 o 63.91243 4.525659  854.9726       105.8434 1020.977       
216.6316 802.9182       121.3083 66.95259 7.706825 60.87226 4.746705 6.080326 
9.051318 
1 1 1 5   -15 22 o 26.58550 6.364874  172.9139       85.92162 64.58934       
171.4859 209.2232       99.28279 23.66300 10.00720 29.50800 7.867814 -5.844994 
12.72975 
1 1 1 5   -15 23 o 47.23022 6.000040  542.9395       101.3214 536.4905       
196.5253 545.2742       118.2485 45.08464 10.55760 49.37582 5.704299 -4.291180 
12.00008 
1 1 1 5   -15 24 f 55.27206 5.782348  760.1680       113.9024 702.2244       
212.7086 783.4626       134.8684 51.46982 10.20643 59.07431 5.437918 -7.604485 
11.56470 
1 1 1 5   -15 25 o 46.95506 5.868488  565.4896       92.11511 527.6348       
192.1107 576.7912       104.9688 43.15848 10.65303 50.75164 4.926418 -7.593166 
11.73698 
1 1 1 5   -15 26 o 68.25383 4.420259  1043.896       120.1999 1333.890       
214.0642 910.3570       145.2623 73.87032 6.902321 62.63734 5.523833 11.23299 
8.840519 
1 1 1 5   -15 27 o 20.86359 6.390132  86.64495       98.52147 38.96212       
194.9823 102.9928       114.1678 20.90555 9.616074 20.82163 8.418213 
0.8392525E-01  12.78026 
1 1 1 5   -14 0  o 231.2755 4.132239  11324.50       368.7267 11423.34       
442.6790 11100.54       666.3438 233.0700 4.524011 229.4811 6.916279 3.588898 
8.264478 
1 1 1 5   -14 1  o 151.1336 2.773259  4795.350       175.8519 5004.459       
254.0340 4602.948       243.6738 154.2930 3.921630 147.9741 3.922330 6.318939 
5.546517 
1 1 1 5   -14 2  o 249.3871 4.145197  13112.27       418.1948 13145.78       
525.7466 13054.55       690.0392 249.9355 5.010367 248.8387 6.605062 1.096878 
8.290394 
1 1 1 5   -14 3  o 19.12979 6.684730  68.30669       66.27199 68.30669       
66.27199 0.000000       0.000000 19.12979 6.684730 ?        ?        ? ? 
1 1 1 5   -14 4  o 92.47063 2.623610  1783.450       101.2011 1678.232       
134.2772 1921.805       153.9766 89.34412 3.579788 95.59713 3.836462 -6.253006 
5.247221 
1 1 1 5   -14 5  o 252.7047 5.127072  13538.53       540.9568 13105.29       
800.9155 13901.97       733.5698 248.8715 7.665361 256.5380 6.810998 -7.666504 
10.25414 
1 1 1 5   -14 6  o 77.88087 3.178612  1253.512       97.12487 1343.394       
173.9098 1212.771       117.0858 79.83183 5.188825 75.92992 3.672927 3.901909 
6.357224 
1 1 1 5   -14 7  o 86.93150 3.255054  1589.871       118.6966 1652.823       
172.2938 1533.003       163.7561 88.56468 4.633723 85.29832 4.572757 3.266365 
6.510107 
1 1 1 5   -14 8  o 36.34098 4.945091  268.6393       72.67119 395.4976       
118.1581 191.4580       92.16375 43.21880 6.511961 29.46317 7.443794 13.75562 
9.890182 
1 1 1 5   -14 9  o 16.95664 5.231989  -17.02606      67.86882 -13.47118      
112.0370 -19.08673      85.30103 18.30198 7.922711 15.61130 6.835605 2.690675 
10.46398 
1 1 1 5   -14 10 o 171.1107 5.763232  6246.008       404.5101 6285.500       
645.1994 6220.432       519.2307 171.2456 8.974198 170.9758 7.233472 0.2698364 
11.52646 
1 1 1 5   -14 11 o 21.82171 5.925329  56.92762       75.27705 114.9936       
123.5608 22.65507       94.92773 25.21361 9.095642 18.42982 7.596537 6.783798 
11.85066 
1 1 1 5   -14 12 o 119.4029 4.307817  3045.217       213.2273 2863.213       
322.6388 3186.356       284.1186 116.1049 6.618918 122.7009 5.515349 -6.595970 
8.615634 
1 1 1 5   -14 13 o 170.6717 5.338121  6257.166       377.8309 5860.801       
569.8597 6568.092       504.7181 165.5772 8.197634 175.7662 6.839661 -10.18901 
10.67624 
1 1 1 5   -14 14 o 93.59007 4.504546  1871.634       175.7364 1635.811       
250.5432 2100.022       246.5623 87.67401 6.806639 99.50613 5.901984 -11.83212 
9.009092 
1 1 1 5   -14 15 o 24.90762 6.373902  111.4830       86.83266 77.18081       
126.3245 142.2072       119.5548 23.28757 9.031030 26.52767 8.997057 -3.240103 
12.74780 
1 1 1 5   -14 16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -14 17 o 53.81971 6.816921  623.2421       154.0311 0.000000       
0.000000 623.2421       154.0311 ?        ?        53.81971 6.816921 ? ? 
1 1 1 5   -14 18 o 59.43040 4.164245  651.2377       89.69366 984.5931       
195.1363 561.9424       100.9948 67.47765 6.888096 51.38316 4.681651 16.09449 
8.328489 
1 1 1 5   -14 19 o 118.2984 3.725824  2987.353       179.8835 3056.969       
291.9908 2944.771       228.3654 119.1221 5.838455 117.4746 4.630280 1.647469 
7.451647 
1 1 1 5   -14 20 o 56.64524 4.479542  732.5364       93.03262 626.3386       
174.5578 774.6696       109.9495 53.08561 7.832194 60.20488 4.349935 -7.119278 
8.959085 
1 1 1 5   -14 21 f 31.64302 6.287148  243.0787       83.52115 199.7853       
157.6269 259.9784       98.48248 29.68741 10.31557 33.59863 7.190402 -3.911222 
12.57430 
1 1 1 5   -14 22 o 48.92329 5.284031  570.6431       93.88656 492.5898       
169.3675 605.2678       112.8047 45.12691 9.257926 52.71967 5.096543 -7.592762 
10.56806 
1 1 1 5   -14 23 o 62.30164 4.557792  890.2488       111.0616 818.0682       
190.3974 927.4755       136.7339 59.52188 7.619131 65.08141 5.004268 -5.559521 
9.115583 
1 1 1 5   -14 24 o 61.88507 5.286947  874.9276       109.1357 925.9719       
243.5569 862.1039       122.0774 61.04228 9.503654 62.72786 4.635492 -1.685581 
10.57389 
1 1 1 5   -14 25 o 21.85864 6.312175  83.60706       90.17860 30.95259       
161.0164 107.6710       108.8518 21.36312 9.372522 22.35416 8.457542 
-0.9910393     12.62435 
1 1 1 5   -14 26 o 61.68454 4.668449  844.8395       110.9939 1036.559       
209.1042 769.6310       130.9673 65.12092 7.648270 58.24816 5.355523 6.872761 
9.336898 
1 1 1 5   -14 27 o 45.33811 6.380991  519.2806       103.0016 657.3412       
212.6190 476.9444       117.7399 46.07544 11.10546 44.60079 6.287849 1.474648 
12.76198 
1 1 1 5   -14 28 o 18.82635 5.970418  30.64585       98.14893 -129.0371      
200.7122 80.83021       112.5197 17.91145 8.667372 19.74125 8.213417 -1.829792 
11.94084 
1 1 1 5   -13 0  o 297.8378 3.800397  18031.79       422.3535 17335.19       
490.2783 20036.31       831.6816 287.1948 4.066185 308.4809 6.421698 -21.28616 
7.600794 
1 1 1 5   -13 1  o 145.6001 2.802044  4470.001       156.2495 4491.100       
186.3472 4420.047       286.7369 146.2169 3.035612 144.9832 4.710717 1.233734 
5.604087 
1 1 1 5   -13 2  o 131.5439 2.741317  3528.656       128.7729 3435.782       
146.5253 3843.780       269.9023 127.8955 2.728841 135.1922 4.755280 -7.296608 
5.482633 
1 1 1 5   -13 3  o 103.8974 2.627126  2263.311       114.1022 2212.867       
153.6317 2325.366       170.3971 102.6144 3.566100 105.1804 3.858768 -2.565933 
5.254251 
1 1 1 5   -13 4  o 69.29282 4.411739  1009.823       128.3444 0.000000       
0.000000 1009.823       128.3444 ?        ?        69.29282 4.411739 ? ? 
1 1 1 5   -13 5  o 145.5341 3.917555  4491.088       235.4448 4282.532       
362.8771 4642.719       309.4150 142.5487 6.063416 148.5195 4.962252 -5.970856 
7.835110 
1 1 1 5   -13 6  o 286.9341 7.352107  17485.67       789.4902 17567.11       
1508.417 17454.94       926.5303 286.5431 12.53870 287.3251 7.680811 
-0.7820740     14.70421 
1 1 1 5   -13 7  o 146.8561 4.575859  4569.883       274.7528 4482.117       
439.5789 4626.154       351.9785 145.5938 7.191425 148.1184 5.660153 -2.524597 
9.151717 
1 1 1 5   -13 8  o 179.6043 5.030140  6671.681       313.8180 7108.002       
679.6165 6553.437       353.7946 182.8476 8.853106 176.3610 4.778260 6.486649 
10.06028 
1 1 1 5   -13 9  o 80.28644 3.521924  1357.419       118.2620 1382.675       
175.7687 1336.529       159.8568 80.95300 5.171657 79.61987 4.782234 1.333130 
7.043848 
1 1 1 5   -13 10 o 66.50237 3.388112  919.6288       93.88594 1053.124       
143.7557 820.3386       123.9783 70.64614 4.846830 62.35859 4.735550 8.287552 
6.776223 
1 1 1 5   -13 11 o 65.44618 3.820497  905.0125       104.9250 929.3583       
151.2533 882.4288       145.6764 66.29112 5.434636 64.60124 5.371176 1.689880 
7.640995 
1 1 1 5   -13 12 o 63.80157 3.680320  869.7360       97.06689 802.2783       
147.4361 921.3447       128.9586 61.54799 5.705729 66.05515 4.650125 -4.507160 
7.360639 
1 1 1 5   -13 13 o 192.2461 6.036563  7985.451       479.3990 7438.330       
731.6393 8397.079       634.6116 186.0417 9.367155 198.4505 7.616876 -12.40877 
12.07313 
1 1 1 5   -13 14 o 81.81860 4.025861  1417.627       137.6933 1417.571       
204.3937 1417.674       186.3150 81.78385 5.952797 81.85336 5.421663 
-0.6950378E-01 8.051722 
1 1 1 5   -13 15 o 116.9948 4.431748  2907.135       217.6121 2838.345       
308.7955 2975.002       306.7150 115.5992 6.362638 118.3905 6.170769 -2.791252 
8.863496 
1 1 1 5   -13 16 o 97.02296 6.801384  2007.966       277.0453 2007.966       
277.0453 0.000000       0.000000 97.02296 6.801384 ?        ?        ? ? 
1 1 1 5   -13 17 o 19.05631 8.569361  -62.31179      143.5809 0.000000       
0.000000 -62.31179      143.5809 ?        ?        19.05631 8.569361 ? ? 
1 1 1 5   -13 18 o 34.45947 6.656436  221.6456       88.99636 394.5228       
182.3476 167.5899       101.9652 41.37038 10.48140 27.54856 8.208091 13.82182 
13.31287 
1 1 1 5   -13 19 o 42.37612 5.584211  454.6352       85.98009 273.7912       
154.0157 536.5119       103.6318 34.58052 10.02638 50.17172 4.919887 -15.59119 
11.16842 
1 1 1 5   -13 20 o 74.84000 4.662723  1351.585       119.5745 963.8909       
233.8466 1488.842       139.1404 65.96873 8.443335 83.71127 3.959046 -17.74254 
9.325446 
1 1 1 5   -13 21 o 86.68189 3.899957  1580.036       129.3113 1731.583       
242.8688 1520.077       152.7649 89.02368 6.498113 84.34010 4.314301 4.683578 
7.799914 
1 1 1 5   -13 22 o 87.59286 4.042192  1543.031       128.4563 1946.376       
270.0431 1425.071       146.0371 93.67802 6.866199 81.50769 4.267620 12.17033 
8.084384 
1 1 1 5   -13 23 o 62.96276 4.358466  917.2192       102.6952 782.2590       
185.8227 976.5649       123.2226 58.64960 7.546659 67.27593 4.362665 -8.626335 
8.716931 
1 1 1 5   -13 24 o 40.97033 5.456307  389.7308       89.75697 416.3464       
144.1631 372.8825       114.7003 41.37594 8.586329 40.56473 6.734992 0.8112106 
10.91261 
1 1 1 5   -13 25 o 58.08213 4.933508  801.0788       101.8750 729.2325       
200.8698 825.9588       118.2055 54.76234 8.736827 61.40192 4.585397 -6.639572 
9.867017 
1 1 1 5   -13 26 o 33.05225 6.299270  316.3806       96.12582 135.4102       
193.2299 375.8944       110.8102 25.84370 10.75854 40.26080 6.555688 -14.41710 
12.59854 
1 1 1 5   -13 27 o 41.57500 6.738634  477.8621       103.9520 439.8524       
211.9905 489.8951       119.2767 37.32460 11.96664 45.82541 6.199697 -8.500805 
13.47727 
1 1 1 5   -13 28 o 24.55749 7.108455  139.8508       104.3017 254.9953       
206.0867 100.2014       120.9335 27.89581 11.29710 21.21918 8.631111 6.676632 
14.21691 
1 1 1 5   -12 0  f 132.7086 2.154054  3701.333       112.7915 3705.457       
137.7532 3692.944       196.4708 132.8344 2.470085 132.5827 3.529655 0.2517395 
4.308107 
1 1 1 5   -12 1  o 245.3948 4.478914  12490.48       408.8324 12283.03       
476.0544 13073.37       797.9990 241.7179 4.691037 249.0718 7.631307 -7.353882 
8.957828 
1 1 1 5   -12 2  o 225.4005 4.062779  10702.90       375.2647 10751.38       
481.5794 10627.96       598.7675 226.1084 5.073086 224.6926 6.347322 1.415787 
8.125558 
1 1 1 5   -12 3  o 346.6935 4.389782  25254.66       626.8016 25555.64       
990.1238 25053.37       809.7084 348.3199 6.770679 345.0672 5.589154 3.252777 
8.779564 
1 1 1 5   -12 4  o 325.9851 4.367773  22414.94       554.3651 22271.12       
988.9759 22480.84       669.4225 325.0327 7.247359 326.9376 4.877042 -1.904968 
8.735545 
1 1 1 5   -12 5  o 292.4307 8.849033  18046.80       1015.657 18635.71       
1799.761 17771.61       1230.280 295.2081 14.52137 289.6532 10.11688 5.554840 
17.69807 
1 1 1 5   -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -12 7  o 121.7566 4.042219  3112.964       202.5241 3175.422       
321.3567 3071.814       260.8436 122.7239 6.237052 120.7893 5.143668 1.934601 
8.084438 
1 1 1 5   -12 8  o 104.4640 3.669482  2278.894       157.5243 2393.897       
252.5895 2205.699       201.5116 106.5686 5.645560 102.3595 4.689139 4.209122 
7.338963 
1 1 1 5   -12 9  o 106.9177 3.895269  2366.391       171.5548 2633.995       
275.7925 2197.491       219.1041 111.7233 5.879763 102.1122 5.110859 9.611069 
7.790539 
1 1 1 5   -12 10 o 77.28462 3.543911  1242.158       111.5640 1329.635       
183.9997 1191.302       140.2941 79.36950 5.521850 75.19974 4.443693 4.169762 
7.087822 
1 1 1 5   -12 11 o 156.4104 5.377549  5126.211       344.9547 5529.037       
559.0496 4878.546       438.3530 161.1322 8.263976 151.6886 6.883227 9.443619 
10.75510 
1 1 1 5   -12 12 o 173.8837 5.732288  6451.516       417.9862 6402.437       
604.4949 6496.479       578.5987 173.1783 8.314197 174.5892 7.893710 -1.410919 
11.46458 
1 1 1 5   -12 13 o 111.2130 4.415504  2618.638       205.8214 2708.878       
301.6681 2540.046       281.5257 112.9803 6.359859 109.4456 6.126899 3.534737 
8.831008 
1 1 1 5   -12 14 o 28.93833 6.076623  180.8604       78.70972 191.9117       
118.6227 172.1676       105.2058 29.71919 8.852861 28.15746 8.326358 1.561731 
12.15325 
1 1 1 5   -12 15 o 98.06763 4.369456  2039.505       179.8575 1978.893       
252.9971 2101.437       255.7389 96.58490 6.239179 99.55035 6.118924 -2.965446 
8.738913 
1 1 1 5   -12 16 o 43.86805 8.325159  424.9483       147.7767 424.9483       
147.7767 0.000000       0.000000 43.86805 8.325159 ?        ?        ? ? 
1 1 1 5   -12 17 o 58.01728 7.709456  721.1426       187.7846 0.000000       
0.000000 721.1426       187.7846 ?        ?        58.01728 7.709456 ? ? 
1 1 1 5   -12 18 o 73.11473 4.106065  1201.397       112.1105 993.9792       
203.4273 1291.874       134.3552 68.06540 7.118753 78.16405 4.094195 -10.09866 
8.212130 
1 1 1 5   -12 19 o 134.5665 5.110314  3849.098       270.4030 4077.563       
479.6890 3742.687       327.3739 136.8346 8.349967 132.2984 5.894004 4.536224 
10.22063 
1 1 1 5   -12 20 o 80.42497 3.774029  1393.423       118.8857 1351.266       
208.0140 1413.874       144.8796 79.24636 6.252221 81.60358 4.228819 -2.357224 
7.548058 
1 1 1 5   -12 21 o 42.70276 6.029348  417.5345       102.4820 388.2670       
167.5422 435.0315       129.5427 40.71091 9.886950 44.69461 6.903651 -3.983700 
12.05870 
1 1 1 5   -12 22 o 68.09914 4.273000  1025.181       112.0677 963.9506       
199.8809 1053.254       135.3414 66.09239 7.203454 70.10589 4.598300 -4.013496 
8.546000 
1 1 1 5   -12 23 o 63.29256 4.042532  806.7158       98.43906 1051.399       
189.1281 715.7988       115.2860 68.98891 6.529767 57.59621 4.767642 11.39270 
8.085065 
1 1 1 5   -12 24 o 26.25949 6.271806  130.6577       81.34482 252.1216       
140.5312 69.45448       99.75543 32.03783 9.654526 20.48115 8.008266 11.55669 
12.54361 
1 1 1 5   -12 25 o 31.59197 6.175923  258.6404       82.38839 189.7148       
158.4814 284.1665       96.44523 28.30319 10.29207 34.88075 6.829452 -6.577557 
12.35185 
1 1 1 5   -12 26 o 25.46207 6.862191  146.0038       101.2343 115.2972       
168.1894 163.4487       126.7701 24.85124 10.15517 26.07290 9.232075 -1.221663 
13.72438 
1 1 1 5   -12 27 o 40.15577 6.471933  424.9191       103.8492 387.3046       
180.6684 443.4793       126.9100 36.91350 10.90994 43.39803 6.965414 -6.484528 
12.94387 
1 1 1 5   -12 28 o 26.67879 6.795104  196.8145       101.5348 101.9702       
181.9632 239.6971       122.3541 23.65179 10.16535 29.70579 9.019943 -6.053997 
13.59021 
1 1 1 5   -12 29 o 24.44479 7.046166  161.7285       106.6005 173.0286       
209.1991 157.7653       123.8918 24.97431 10.81881 23.91527 9.030346 1.059040 
14.09233 
1 1 1 5   -11 0  o 76.90442 2.258070  1252.344       69.17798 1274.998       
85.69566 1209.966       117.2097 77.91856 2.619624 75.89027 3.678735 2.028297 
4.516140 
1 1 1 5   -11 1  o 150.5628 2.592867  4635.590       143.9252 4503.995       
166.2909 5028.476       287.3305 146.4459 2.704659 154.6797 4.424552 -8.233871 
5.185735 
1 1 1 5   -11 2  o 186.2437 2.499864  7278.249       195.3450 7029.223       
270.5210 7549.587       282.3796 182.9194 3.522591 189.5681 3.548046 -6.648682 
4.999728 
1 1 1 5   -11 3  o 309.7072 5.646257  20169.67       683.2160 20084.39       
826.0244 20354.37       1215.612 308.9076 6.369206 310.5067 9.324919 -1.599121 
11.29251 
1 1 1 5   -11 4  o 308.2124 6.076850  20046.54       779.0836 20068.46       
1034.409 20017.81       1184.327 308.5142 7.986161 307.9106 9.161530 0.6035767 
12.15370 
1 1 1 5   -11 5  o 77.64854 2.706754  1267.188       87.47522 1265.920       
132.6897 1268.163       116.3347 77.60858 4.072382 77.68850 3.566759 
-0.7991791E-01 5.413508 
1 1 1 5   -11 6  o 64.57423 3.608693  869.3436       95.77325 914.7689       
153.5726 840.4327       122.5168 65.92970 5.548220 63.21877 4.616050 2.710922 
7.217386 
1 1 1 5   -11 7  o 52.28967 4.971598  575.2643       109.1417 0.000000       
0.000000 575.2643       109.1417 ?        ?        52.28967 4.971598 ? ? 
1 1 1 5   -11 8  o 102.6977 3.907015  2231.422       166.5090 2148.433       
252.9488 2294.882       221.1920 100.9775 5.966629 104.4179 5.045631 -3.440369 
7.814030 
1 1 1 5   -11 9  o 131.9216 4.505923  3639.724       245.6283 3501.548       
317.6055 3845.363       387.4577 128.8825 5.869691 134.9608 6.838135 -6.078339 
9.011847 
1 1 1 5   -11 10 o 188.9817 5.390725  7557.359       375.2018 7565.198       
734.9642 7554.596       436.3441 188.6692 9.278682 189.2942 5.490513 
-0.6250153     10.78145 
1 1 1 5   -11 11 o 177.1982 4.967677  6771.292       343.4224 6301.798       
599.3242 7000.811       419.0408 172.2468 8.287655 182.1497 5.479602 -9.902847 
9.935354 
1 1 1 5   -11 12 o 70.76810 3.897454  1060.354       115.5114 991.9083       
165.1812 1125.859       161.5935 68.50905 5.742934 73.02715 5.270606 -4.518105 
7.794907 
1 1 1 5   -11 13 o 197.9909 7.002699  8372.329       579.2200 8921.486       
872.6536 7939.871       774.4013 203.6163 10.20823 192.3655 9.588705 11.25082 
14.00540 
1 1 1 5   -11 14 o 133.1375 4.661167  3735.834       258.9625 3520.459       
344.2063 4016.746       393.1015 128.8014 6.365305 137.4736 6.810934 -8.672119 
9.322334 
1 1 1 5   -11 15 f 117.9464 5.172001  2894.657       246.9883 2719.222       
306.7997 3217.761       416.3585 113.1725 6.457065 122.7203 8.081133 -9.547775 
10.34400 
1 1 1 5   -11 16 o 84.10692 5.643636  1497.750       199.2827 1497.750       
199.2827 0.000000       0.000000 84.10692 5.643636 ?        ?        ? ? 
1 1 1 5   -11 17 o 108.0041 4.993795  2466.376       226.4382 0.000000       
0.000000 2466.376       226.4382 ?        ?        108.0041 4.993795 ? ? 
1 1 1 5   -11 18 o 162.8531 6.158941  5711.795       399.3604 5722.344       
681.9012 5706.288       492.6975 162.2954 10.00775 163.4108 7.181591 -1.115402 
12.31788 
1 1 1 5   -11 19 o 87.43562 4.055279  1721.195       139.7920 1279.967       
220.9834 2015.556       180.4963 77.30004 6.809276 97.57121 4.406235 -20.27117 
8.110558 
1 1 1 5   -11 20 o 53.00992 5.118067  657.0899       99.15890 504.1732       
171.6945 733.6202       121.4634 47.28974 8.972832 58.73009 4.926127 -11.44035 
10.23613 
1 1 1 5   -11 21 o 78.37224 4.069256  1267.579       121.8468 1438.883       
231.2906 1201.773       143.3523 81.58588 6.752490 75.15860 4.543046 6.427284 
8.138513 
1 1 1 5   -11 22 o 102.7009 4.290236  2247.264       163.4178 2351.049       
319.0449 2210.350       190.2729 103.6002 7.335206 101.8016 4.451880 1.798630 
8.580471 
1 1 1 5   -11 23 o 25.26899 6.204045  136.7817       78.21902 103.0503       
141.7012 151.5640       93.80530 24.65089 9.563831 25.88709 7.905305 -1.236204 
12.40809 
1 1 1 5   -11 24 o 61.12464 3.868792  810.8665       92.89275 823.0359       
163.2109 805.0355       112.9768 61.06733 6.365920 61.18194 4.398324 
-0.1146088     7.737583 
1 1 1 5   -11 25 o 114.8340 4.642807  2934.581       188.6510 2983.268       
389.0151 2919.610       215.7135 113.4848 8.164881 116.1832 4.422368 -2.698425 
9.285613 
1 1 1 5   -11 26 o 54.19108 4.616386  643.4410       93.33340 714.8997       
181.9606 617.9279       108.7258 55.28714 7.839247 53.09501 4.877530 2.192127 
9.232772 
1 1 1 5   -11 27 o 41.82189 6.544991  482.6128       101.8422 357.4210       
203.1750 524.6233       117.6958 35.41265 11.72876 48.23113 5.812389 -12.81848 
13.08998 
1 1 1 5   -11 28 o 26.05533 6.863449  169.0166       96.71659 144.0136       
182.3112 178.8092       114.0952 25.66197 10.54406 26.44869 8.789226 
-0.7867241     13.72690 
1 1 1 5   -11 29 o 38.54860 6.874213  374.5897       100.0195 532.7961       
200.5737 322.2279       115.3902 41.82737 11.19667 35.26982 7.978326 6.557549 
13.74843 
1 1 1 5   -11 30 o 28.45681 6.426911  267.2108       105.5031 38.09567       
199.8785 355.6984       124.2168 21.13192 9.726863 35.78170 8.402910 -14.64977 
12.85382 
1 1 1 5   -10 0  o 221.1067 4.150291  10319.78       368.1804 10410.95       
458.7240 10154.71       617.2420 222.5487 4.909616 219.6646 6.692932 2.884018 
8.300582 
1 1 1 5   -10 1  o 23.52262 3.890677  132.5591       37.59177 161.0193       
45.37577 70.28421       67.12145 27.68375 3.904094 19.36150 6.731086 8.322248 
7.781353 
1 1 1 5   -10 2  o 77.81504 1.938428  1250.834       60.33318 1205.879       
74.11145 1339.174       103.8897 75.78065 2.329421 79.84943 3.099000 -4.068787 
3.876855 
1 1 1 5   -10 3  o 180.2957 3.072812  6866.069       216.1861 6926.323       
261.9092 6737.246       382.9603 181.5817 3.435577 179.0096 5.095636 2.572083 
6.145624 
1 1 1 5   -10 4  f 325.4229 6.389983  22410.99       861.4199 22774.51       
1134.956 21917.01       1323.017 328.6872 8.224649 322.1587 9.781752 6.528503 
12.77997 
1 1 1 5   -10 5  o 202.9959 3.845816  8522.202       262.5384 8910.284       
592.2583 8427.294       292.8870 205.7077 6.857750 200.2840 3.483171 5.423676 
7.691633 
1 1 1 5   -10 6  o 339.1137 7.303597  24321.15       1039.565 24290.72       
1453.559 24353.02       1487.358 338.9242 10.21530 339.3032 10.44116 
-0.3789368     14.60719 
1 1 1 5   -10 7  o 329.6243 7.375132  22980.77       1015.070 23194.55       
1519.801 22808.60       1363.875 330.8682 10.94089 328.3804 9.892784 2.487762 
14.75026 
1 1 1 5   -10 8  o 85.17126 3.859911  1523.500       136.5559 1548.645       
209.6986 1504.987       179.9380 85.76488 5.823809 84.57766 5.067436 1.187218 
7.719822 
1 1 1 5   -10 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -10 10 o 121.2405 4.293633  3099.767       218.4610 3063.413       
312.3390 3134.585       305.6698 120.5357 6.172081 121.9452 5.970476 -1.409500 
8.587267 
1 1 1 5   -10 11 o 27.14966 5.899903  152.4239       79.89298 54.66531       
120.2514 229.6732       106.8956 22.00321 8.736968 32.29610 7.931004 -10.29289 
11.79981 
1 1 1 5   -10 12 o 32.29111 5.784288  230.5971       78.53510 215.7662       
115.2844 243.4396       107.2781 31.35612 8.531629 33.22609 7.813020 -1.869968 
11.56858 
1 1 1 5   -10 13 o 159.3155 4.973100  5383.081       332.0042 5344.772       
483.6399 5417.222       456.5777 158.7284 7.257527 159.9026 6.801118 -1.174194 
9.946200 
1 1 1 5   -10 14 o 154.1635 5.770489  5058.532       372.4324 5192.117       
550.5574 4945.831       505.6956 155.9622 8.408227 152.3648 7.905434 3.597397 
11.54098 
1 1 1 5   -10 15 o 45.84337 5.341969  442.1367       101.6378 412.0780       
132.3616 485.3275       158.6620 44.00404 7.164573 47.68269 7.925618 -3.678650 
10.68394 
1 1 1 5   -10 16 o 103.2323 5.674122  2256.726       245.9197 2256.726       
245.9197 0.000000       0.000000 103.2323 5.674122 ?        ?        ? ? 
1 1 1 5   -10 17 f 213.6609 13.30999  10042.85       1193.938 0.000000       
0.000000 10042.85       1193.938 ?        ?        213.6609 13.30999 ? ? 
1 1 1 5   -10 18 o 55.88774 4.440690  605.9970       96.13183 816.3452       
183.4462 526.3655       112.8708 61.91200 7.057566 49.86348 5.391629 12.04853 
8.881380 
1 1 1 5   -10 19 o 130.3732 4.851444  3548.132       232.5389 3795.623       
463.5678 3464.915       268.8053 132.8408 8.311951 127.9057 5.005749 4.935081 
9.702888 
1 1 1 5   -10 20 o 74.42336 4.099270  1225.224       116.3475 1067.766       
207.1401 1297.796       140.6265 70.54254 6.994137 78.30418 4.277629 -7.761642 
8.198541 
1 1 1 5   -10 21 o 122.5111 4.813870  3239.842       228.8679 3209.566       
409.1808 3253.626       276.0958 121.4952 8.021898 123.5269 5.323771 -2.031647 
9.627741 
1 1 1 5   -10 22 o 163.7241 4.697810  5797.798       322.1998 5733.129       
469.8755 5855.192       442.6600 162.6914 6.879220 164.7567 6.399531 -2.065323 
9.395619 
1 1 1 5   -10 23 o 133.3261 4.820553  3895.984       262.7485 3787.592       
418.3897 3966.569       337.6303 131.1815 7.596779 135.4707 5.936319 -4.289185 
9.641107 
1 1 1 5   -10 24 o 69.44183 3.875778  1048.893       106.9251 1030.676       
182.3521 1058.438       131.9987 68.62118 6.329564 70.26250 4.474733 -1.641319 
7.751555 
1 1 1 5   -10 25 o 24.00060 5.934858  124.1023       81.34097 -44.45226      
157.8806 185.0100       94.90622 19.88981 8.962728 28.11139 7.782009 -8.221581 
11.86972 
1 1 1 5   -10 26 o 88.42262 4.102435  1771.824       138.3507 1620.098       
248.0769 1840.317       166.6781 84.58240 6.985981 92.26284 4.303015 -7.680443 
8.204869 
1 1 1 5   -10 27 o 24.69916 6.586474  129.8678       85.28426 115.5922       
175.3274 134.2925       97.61047 25.34949 10.36520 24.04883 8.129523 1.300652 
13.17295 
1 1 1 5   -10 28 o 45.25433 6.086262  503.8830       101.2708 517.6163       
191.6921 498.5660       119.2743 43.71006 10.55072 46.79860 6.070647 -3.088539 
12.17252 
1 1 1 5   -10 29 o 81.76227 4.490911  1525.663       140.4086 1632.920       
259.8926 1481.453       166.8551 82.10296 7.539736 81.42159 4.881135 0.6813736 
8.981821 
1 1 1 5   -10 30 o 20.56874 6.435950  37.60143       95.44919 116.3738       
192.1674 11.80282       109.9742 23.80285 10.34101 17.33462 7.664815 6.468231 
12.87190 
1 1 1 5   -10 31 o 17.04192 5.594311  -22.90966      93.62841 -211.7910      
197.0124 32.19581       106.4134 16.60910 8.171003 17.47474 7.643296 
-0.8656406     11.18862 
1 1 1 5   -9  0  o 356.3810 6.370180  26802.30       907.9692 26856.79       
1125.258 26700.62       1537.135 357.1401 7.504719 355.6218 10.29543 1.518311 
12.74036 
1 1 1 5   -9  1  o 180.1515 3.043893  6983.010       188.3285 7108.868       
213.2194 6536.394       401.6558 183.9861 2.760342 176.3169 5.426015 7.669159 
6.087785 
1 1 1 5   -9  2  o 252.4066 3.383361  13299.66       334.4882 13642.86       
594.9256 13141.03       404.4707 254.7149 5.563261 250.0984 3.852098 4.616516 
6.766722 
1 1 1 5   -9  3  o 205.5311 3.540192  8838.883       245.1756 8811.094       
274.2214 8949.607       547.3780 204.8165 3.189022 206.2457 6.321548 -1.429184 
7.080384 
1 1 1 5   -9  4  o 131.1162 3.176995  3615.660       174.6504 3669.373       
241.8736 3557.146       252.4516 132.1389 4.359926 130.0935 4.622146 2.045349 
6.353990 
1 1 1 5   -9  5  o 185.3108 4.265386  7215.750       331.3723 7380.269       
483.8579 7070.424       454.7570 187.2894 6.153550 183.3322 5.908289 3.957214 
8.530771 
1 1 1 5   -9  6  o 428.4185 5.408226  38051.46       778.6319 37644.89       
868.6137 39714.41       1756.719 423.1551 4.889317 433.6819 9.648326 -10.52679 
10.81645 
1 1 1 5   -9  7  o 253.3847 5.784439  13534.50       614.7307 13631.26       
890.9294 13446.57       849.2859 254.2252 8.347294 252.5442 8.010095 1.681046 
11.56888 
1 1 1 5   -9  8  o 175.4882 3.137629  6626.778       216.3402 6026.650       
370.4555 6937.366       266.5060 169.2677 5.212943 181.7086 3.493435 -12.44084 
6.275258 
1 1 1 5   -9  9  o 179.6100 5.134305  6593.904       287.2257 7116.650       
720.1622 6495.022       313.2154 183.4529 9.350325 175.7671 4.244501 7.685852 
10.26861 
1 1 1 5   -9  10 o 164.1242 8.156582  5690.867       562.0303 0.000000       
0.000000 5690.867       562.0303 ?        ?        164.1242 8.156582 ? ? 
1 1 1 5   -9  11 o 140.5938 6.538315  4169.514       385.9322 4169.514       
385.9322 0.000000       0.000000 140.5938 6.538315 ?        ?        ? ? 
1 1 1 5   -9  12 o 90.08215 3.905944  1715.418       147.2582 1579.553       
210.0880 1846.643       206.4684 86.54782 5.781841 93.61649 5.253181 -7.068672 
7.811888 
1 1 1 5   -9  13 o 140.2246 4.537876  4144.568       255.3386 4193.788       
430.7688 4117.907       317.0388 140.7267 7.291028 139.7225 5.404644 1.004181 
9.075751 
1 1 1 5   -9  14 o 21.79184 6.017325  60.48892       80.21156 37.64403       
115.6388 81.67258       111.3550 20.80816 8.448057 22.77552 8.571065 -1.967365 
12.03465 
1 1 1 5   -9  15 o 155.1811 7.675764  5126.167       500.0799 5126.167       
500.0799 0.000000       0.000000 155.1811 7.675764 ?        ?        ? ? 
1 1 1 5   -9  16 o 128.4183 6.311358  3498.958       340.2740 3498.958       
340.2740 0.000000       0.000000 128.4183 6.311358 ?        ?        ? ? 
1 1 1 5   -9  17 o 53.90830 7.483114  619.3342       169.3624 0.000000       
0.000000 619.3342       169.3624 ?        ?        53.90830 7.483114 ? ? 
1 1 1 5   -9  18 o 169.8802 5.680479  6229.948       365.5617 6007.412       
677.1019 6321.500       434.2958 167.0660 9.653550 172.6945 5.990020 -5.628464 
11.36096 
1 1 1 5   -9  19 o 108.1227 4.028845  2493.854       178.0945 2404.008       
283.5387 2552.397       228.8775 106.3789 6.348597 109.8665 4.962025 -3.487526 
8.057691 
1 1 1 5   -9  20 o 153.4021 5.016627  5031.981       320.1548 5029.572       
486.2627 5033.825       425.3591 153.1793 7.561220 153.6248 6.595009 
-0.4455109     10.03325 
1 1 1 5   -9  21 o 119.3570 4.504764  3039.774       209.4698 3068.729       
374.0197 3026.543       252.8428 119.3531 7.464176 119.3610 5.045560 
-0.7896423E-02 9.009528 
1 1 1 5   -9  22 o 127.5293 5.046793  3517.320       241.2136 3504.583       
457.6505 3522.220       283.8400 126.5416 8.614332 128.5170 5.260586 -1.975372 
10.09359 
1 1 1 5   -9  23 o 41.75934 5.771429  434.0087       89.21794 286.5912       
160.9244 499.4282       107.2016 35.21369 10.26135 48.30499 5.286039 -13.09130 
11.54286 
1 1 1 5   -9  24 o 80.79870 3.775480  1457.563       121.3091 1213.523       
196.2374 1608.499       154.3293 74.74834 6.253185 86.84906 4.232572 -12.10072 
7.550959 
1 1 1 5   -9  25 o 75.90700 4.510150  1383.946       121.1109 1020.224       
228.0256 1526.870       142.9389 67.29527 8.070865 84.51873 4.028271 -17.22346 
9.020301 
1 1 1 5   -9  26 o 125.6743 4.886075  3547.227       234.6219 3498.624       
427.8413 3568.129       280.5724 123.3779 8.259743 127.9708 5.222220 -4.592926 
9.772151 
1 1 1 5   -9  27 o 72.08238 4.488441  1181.086       117.8328 1127.381       
229.1857 1200.384       137.3809 69.75426 7.825965 74.41051 4.397575 -4.656258 
8.976881 
1 1 1 5   -9  28 o 17.80638 5.854962  -76.73502      82.66338 33.32095       
181.5178 -105.5317      92.85031 22.73499 9.963013 12.87776 6.153105 9.857226 
11.70992 
1 1 1 5   -9  29 o 40.15258 6.231554  490.4277       89.55570 256.1644       
200.8128 548.5862       100.0567 30.53671 11.50643 49.76844 4.788650 -19.23173 
12.46311 
1 1 1 5   -9  30 o 68.50105 5.008608  1166.151       115.6008 1033.239       
240.2838 1206.180       131.8643 63.09355 9.071113 73.90856 4.249653 -10.81501 
10.01722 
1 1 1 5   -9  31 o 31.61404 6.918004  289.3338       92.04004 324.0690       
200.2168 280.0265       103.6401 30.65025 11.50111 32.57782 7.691527 -1.927570 
13.83601 
1 1 1 5   -8  0  o 227.5311 4.003799  10941.24       358.2196 11045.79       
437.0573 10727.24       625.2612 229.2645 4.540698 225.7976 6.595734 3.466873 
8.007599 
1 1 1 5   -8  1  o 291.9873 4.525436  17945.61       551.5389 18026.96       
742.0507 17845.20       824.4236 292.7621 6.037259 291.2125 6.743129 1.549652 
9.050872 
1 1 1 5   -8  2  o 81.65757 2.250795  1395.121       77.01522 1500.096       
113.0789 1304.297       105.1814 84.51160 3.187031 78.80354 3.179173 5.708069 
4.501589 
1 1 1 5   -8  3  o 298.9272 5.157629  18800.24       473.7342 18829.66       
1186.475 18794.66       516.7090 298.7712 9.458908 299.0833 4.115049 
-0.3120117     10.31526 
1 1 1 5   -8  4  o 121.4003 2.611945  3037.783       128.5150 2884.871       
160.0949 3314.877       215.5115 117.1955 3.253776 125.6052 4.086804 -8.409721 
5.223890 
1 1 1 5   -8  5  o 20.14554 4.673501  71.62084       48.47390 127.5278       
71.94527 25.14282       65.59840 24.27668 6.793710 16.01440 6.419654 8.262281 
9.347003 
1 1 1 5   -8  6  o 125.7576 2.514299  3313.270       128.6657 3358.914       
210.2594 3285.946       162.6814 126.4367 3.960986 125.0784 3.097966 1.358315 
5.028599 
1 1 1 5   -8  7  o 133.3357 3.479497  3735.328       194.2127 3767.053       
286.3264 3708.293       264.3094 133.8525 5.095139 132.8188 4.739953 1.033630 
6.958994 
1 1 1 5   -8  8  f 235.4787 5.524548  11686.22       545.8637 11708.60       
785.5533 11665.33       759.0637 235.6813 7.939107 235.2762 7.684602 0.4051208 
11.04910 
1 1 1 5   -8  9  o 274.5180 6.323911  15910.43       728.8196 15817.59       
1025.452 16005.20       1036.043 273.7123 8.923638 275.3237 8.963038 -1.611420 
12.64782 
1 1 1 5   -8  10 o 156.5060 3.453819  5192.839       220.0188 4979.508       
354.0892 5327.007       280.8079 153.8270 5.482783 159.1850 4.201731 -5.357971 
6.907638 
1 1 1 5   -8  11 o 219.4735 6.421126  10310.16       581.5778 9440.926       
886.2351 10967.63       770.7535 211.0717 10.00092 227.8754 8.056364 -16.80376 
12.84225 
1 1 1 5   -8  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -8  13 f 46.99236 4.927101  465.8456       97.10640 496.2111       
140.2937 437.9177       134.5450 48.46323 6.895198 45.52148 7.039995 2.941757 
9.854201 
1 1 1 5   -8  14 o 58.98637 3.881175  733.9659       95.93887 735.3436       
140.0409 732.7476       131.6991 59.02972 5.650739 58.94303 5.321957 
0.8669662E-01  7.762350 
1 1 1 5   -8  15 o 41.26933 5.459765  365.6612       92.04979 288.1625       
125.0208 457.4113       136.0311 36.08657 8.401385 46.45208 6.975162 -10.36550 
10.91953 
1 1 1 5   -8  16 o 123.0689 7.478127  3222.441       386.3849 3222.441       
386.3849 0.000000       0.000000 123.0689 7.478127 ?        ?        ? ? 
1 1 1 5   -8  17 o 95.93115 6.490406  1953.926       261.4029 0.000000       
0.000000 1953.926       261.4029 ?        ?        95.93115 6.490406 ? ? 
1 1 1 5   -8  18 o 165.2971 5.604541  5915.190       359.6351 5610.159       
635.8905 6058.642       436.0766 161.5681 9.374491 169.0261 6.145115 -7.457947 
11.20908 
1 1 1 5   -8  19 o 66.62343 3.930511  913.4113       104.9246 1026.489       
181.6399 856.7838       128.5394 69.56110 6.219651 63.68576 4.807453 5.875336 
7.861022 
1 1 1 5   -8  20 o 115.6820 4.242424  2756.683       191.1338 3064.005       
349.4973 2625.550       228.2986 119.9328 6.941076 111.4312 4.879972 8.501587 
8.484849 
1 1 1 5   -8  21 o 27.90329 6.686638  140.9373       88.66403 222.2650       
158.4173 103.8412       106.9912 32.14851 10.34841 23.65806 8.470824 8.490454 
13.37328 
1 1 1 5   -8  22 o 20.63168 5.989825  19.68267       90.13649 -199.2851      
174.1997 99.74325       105.3335 18.01645 8.544305 23.24690 8.396836 -5.230457 
11.97965 
1 1 1 5   -8  23 o 32.65443 7.903180  241.1650       107.3373 0.000000       
0.000000 241.1650       107.3373 ?        ?        32.65443 7.903180 ? ? 
1 1 1 5   -8  24 o 71.51920 4.043545  1141.877       116.4394 889.6339       
178.1549 1329.982       153.8467 64.06801 6.623348 78.97039 4.640288 -14.90238 
8.087090 
1 1 1 5   -8  25 o 41.25309 5.679994  312.2204       89.72150 618.0145       
175.8056 204.5267       104.3310 52.71525 7.943602 29.79094 8.120870 22.92431 
11.35999 
1 1 1 5   -8  26 o 52.91119 5.130677  664.0839       94.79507 558.5297       
179.9117 704.6499       111.5330 48.61597 9.150403 57.20641 4.643866 -8.590439 
10.26135 
1 1 1 5   -8  27 o 27.65097 6.423388  187.2625       86.83344 81.90166       
173.3746 222.5410       100.3231 24.65551 10.22274 30.64644 7.780442 -5.990927 
12.84678 
1 1 1 5   -8  28 o 22.57955 6.321806  94.00200       84.33495 -6.788946      
183.3905 121.0334       94.97300 21.93995 9.780226 23.21915 8.012997 -1.279209 
12.64361 
1 1 1 5   -8  29 o 40.42703 6.454834  337.1342       94.28286 613.2433       
201.0213 259.2669       106.7529 48.38449 10.21324 32.46957 7.896156 15.91492 
12.90967 
1 1 1 5   -8  30 o 85.80328 4.269678  1678.017       132.8680 1702.982       
263.2912 1669.486       153.9021 84.35665 7.434265 87.24991 4.201464 -2.893257 
8.539355 
1 1 1 5   -8  31 o 25.75594 6.555849  178.5353       86.17300 101.6429       
199.8100 196.1051       95.51212 24.00641 10.48705 27.50547 7.870093 -3.499060 
13.11170 
1 1 1 5   -8  32 o 41.44841 6.559484  525.5330       96.18739 444.2299       
213.0143 546.3567       107.8039 34.58360 11.99416 48.31322 5.314833 -13.72963 
13.11897 
1 1 1 5   -7  0  o 251.5652 4.538809  13379.11       451.4565 13512.08       
553.7866 13115.63       779.5091 253.5306 5.202753 249.5998 7.438716 3.930756 
9.077618 
1 1 1 5   -7  1  o 75.93166 2.316181  1186.392       72.61971 1344.049       
116.0286 1084.863       93.11160 79.99214 3.454926 71.87118 3.085817 8.120964 
4.632362 
1 1 1 5   -7  2  o 255.2957 5.449309  13701.69       582.8580 13392.54       
795.3520 14060.30       856.6259 252.2102 7.511346 258.3812 7.896806 -6.170975 
10.89862 
1 1 1 5   -7  3  o 197.7369 3.249058  8140.985       222.9074 8352.283       
479.8170 8082.831       251.7199 199.2961 5.734530 196.1776 3.056252 3.118500 
6.498116 
1 1 1 5   -7  4  o 579.9161 8.037577  71516.91       1613.260 71853.66       
1826.111 70319.70       3443.133 584.1883 7.445528 575.6439 14.24692 8.544373 
16.07515 
1 1 1 5   -7  5  o 251.1535 4.475415  13033.04       337.5123 13612.63       
878.7111 12932.73       365.5533 254.1799 8.234287 248.1271 3.509114 6.052765 
8.950830 
1 1 1 5   -7  6  o 30.02171 4.108493  195.5373       49.85023 188.9658       
68.13192 203.1085       73.13100 29.48050 5.708488 30.56292 5.910332 -1.082426 
8.216986 
1 1 1 5   -7  7  o 180.8373 3.815809  6891.699       286.4137 6772.063       
437.3624 6981.528       378.9820 179.4360 5.805676 182.2386 4.953353 -2.802551 
7.631618 
1 1 1 5   -7  8  o 155.6535 3.002590  5119.035       182.9426 5168.624       
222.2878 5014.942       322.0578 156.8597 3.375400 154.4473 4.966775 2.412399 
6.005179 
1 1 1 5   -7  9  o 215.5871 3.930027  9886.311       297.8016 9574.434       
620.3276 9979.716       339.4797 213.2326 6.929286 217.9415 3.710180 -4.708862 
7.860054 
1 1 1 5   -7  10 o 474.5892 10.64752  48015.25       2117.718 47527.31       
2902.978 48570.28       3096.156 472.2195 14.64269 476.9588 15.46191 -4.739288 
21.29505 
1 1 1 5   -7  11 o 196.2494 4.732084  8039.230       385.6387 7638.011       
504.1504 8605.072       598.7100 190.4422 6.305478 202.0566 7.057721 -11.61440 
9.464168 
1 1 1 5   -7  12 o 214.0040 6.344335  9446.845       500.2807 10192.38       
997.3103 9196.166       578.3042 219.1334 10.84034 208.8747 6.594647 10.25867 
12.68867 
1 1 1 5   -7  13 o 18.86575 8.099861  -8.065936      115.3192 0.000000       
0.000000 -8.065936      115.3192 ?        ?        18.86575 8.099861 ? ? 
1 1 1 5   -7  14 o 45.87886 4.784090  445.9969       91.34013 433.6539       
137.5695 455.7280       122.1498 45.28884 7.235225 46.46887 6.261115 -1.180031 
9.568179 
1 1 1 5   -7  15 o 151.2033 5.729899  4723.945       343.5995 4478.177       
417.0074 5243.613       606.3802 145.4833 6.827342 156.9233 9.204042 -11.44002 
11.45980 
1 1 1 5   -7  16 o 24.08060 9.578156  66.70557       144.7477 66.70557       
144.7477 0.000000       0.000000 24.08060 9.578156 ?        ?        ? ? 
1 1 1 5   -7  17 o 119.4968 7.867591  3043.405       394.7089 0.000000       
0.000000 3043.405       394.7089 ?        ?        119.4968 7.867591 ? ? 
1 1 1 5   -7  18 o 179.4293 5.049623  6729.888       374.9460 7568.569       
593.6454 6173.285       483.6172 188.4337 7.503942 170.4249 6.759113 18.00882 
10.09925 
1 1 1 5   -7  19 o 64.03920 3.994185  870.4606       102.6235 860.7678       
172.1569 875.8033       127.8149 63.68014 6.439342 64.39825 4.727466 
-0.7181129     7.988370 
1 1 1 5   -7  20 o 74.27200 4.298081  1084.316       116.0892 1345.318       
243.2206 1007.313       132.1086 79.47073 7.289778 69.07328 4.555562 10.39745 
8.596163 
1 1 1 5   -7  21 o 107.7146 4.621864  2524.736       198.9572 2272.675       
327.4881 2672.192       250.4811 103.1096 7.565146 112.3196 5.311784 -9.209969 
9.243728 
1 1 1 5   -7  22 o 76.69234 3.876625  1240.227       117.8404 1279.709       
204.8556 1220.702       144.0613 77.44678 6.300362 75.93789 4.518663 1.508896 
7.753249 
1 1 1 5   -7  23 o 22.60780 6.245071  67.36700       89.28667 -33.42898      
151.0143 121.5398       110.7101 20.44405 9.018191 24.77155 8.641521 -4.327503 
12.49014 
1 1 1 5   -7  24 o 79.10120 3.885497  1339.890       124.8257 1333.266       
203.7246 1343.871       157.9468 78.75329 6.161633 79.44910 4.735251 
-0.6958084     7.770993 
1 1 1 5   -7  25 f 73.19212 4.227733  1195.214       116.9673 1061.661       
212.0284 1253.637       140.2367 69.67979 7.247837 76.70445 4.354741 -7.024666 
8.455465 
1 1 1 5   -7  26 o 25.96201 6.623356  138.2615       86.38043 107.4168       
170.0732 148.9845       100.2774 26.11045 10.38332 25.81357 8.225691 0.2968826 
13.24671 
1 1 1 5   -7  27 o 35.09895 6.246204  290.1421       81.36098 275.1760       
178.2165 294.0826       91.44678 33.58644 10.98477 36.61147 5.949388 -3.025036 
12.49241 
1 1 1 5   -7  28 o 27.65110 6.865831  148.8822       85.46840 254.2979       
182.4760 119.2567       96.73556 32.00171 11.10093 23.30050 8.082573 8.701210 
13.73166 
1 1 1 5   -7  29 o 23.19878 6.050220  113.9337       86.38046 -122.8833      
188.2262 177.1152       97.22291 19.33528 9.074373 27.06229 8.004774 -7.727011 
12.10044 
1 1 1 5   -7  30 o 22.60994 6.560637  89.98380       89.42065 50.32423       
193.0901 100.8115       100.8916 23.42053 10.26948 21.79935 8.167354 1.621181 
13.12127 
1 1 1 5   -7  31 o 47.57753 5.761803  539.1784       97.87415 618.4334       
194.5170 512.3109       113.2553 47.77208 10.01902 47.38299 5.693210 0.3890839 
11.52361 
1 1 1 5   -7  32 o 20.44868 6.368501  52.29995       98.11228 6.724751       
199.4078 66.85684       112.6970 21.18678 9.736671 19.71057 8.211482 1.476208 
12.73700 
1 1 1 5   -7  33 o 27.92925 6.599015  259.3484       99.58559 111.7970       
211.2190 301.5234       112.9246 22.93040 10.34795 32.92810 8.191939 -9.997700 
13.19803 
1 1 1 5   -6  0  o 259.6407 4.052442  14373.01       412.2029 14744.93       
503.4246 13616.42       718.0207 264.8910 4.526768 254.3904 6.722909 10.50060 
8.104884 
1 1 1 5   -6  1  o 173.2534 2.480360  5978.198       148.8021 5745.357       
166.7045 6890.964       330.0632 165.4129 2.400485 181.0939 4.341246 -15.68103 
4.960720 
1 1 1 5   -6  2  o 194.0535 3.195488  7885.693       250.2773 8012.650       
417.3716 7814.409       312.7444 195.2411 5.091815 192.8659 3.862382 2.375275 
6.390976 
1 1 1 5   -6  3  o 221.6519 4.389220  10370.00       399.6340 10155.99       
631.0007 10513.33       516.4038 219.6879 6.841398 223.6159 5.500572 -3.928024 
8.778440 
1 1 1 5   -6  4  o 178.8762 3.512302  6752.365       243.5695 6654.881       
437.1187 6796.262       293.3272 177.8910 5.852836 179.8614 3.884503 -1.970383 
7.024604 
1 1 1 5   -6  5  o 413.7998 7.042771  36393.51       875.8860 35761.54       
2241.429 36507.41       951.5454 410.8997 12.99302 416.7000 5.439101 -5.800262 
14.08554 
1 1 1 5   -6  6  o 13.63129 4.051063  4.290130       39.30886 3.960688       
56.81504 4.592638       54.44304 13.75132 5.785050 13.51125 5.672534 0.2400694 
8.102126 
1 1 1 5   -6  7  o 398.8898 8.127621  33701.90       1357.544 34532.25       
1867.753 32771.96       1976.582 404.2284 11.00560 393.5513 11.96285 10.67706 
16.25524 
1 1 1 5   -6  8  o 352.4933 5.916024  26800.38       766.4518 27495.18       
896.3132 24910.14       1478.390 361.5486 5.904922 343.4380 10.25325 18.11053 
11.83205 
1 1 1 5   -6  9  o 231.5088 4.610240  11200.76       400.2387 11105.12       
469.1983 11456.28       766.9360 229.8396 4.862422 233.1780 7.834164 -3.338333 
9.220481 
1 1 1 5   -6  10 o 208.6468 3.825480  9415.358       304.3109 8523.892       
549.5038 9809.697       365.4707 201.2332 6.504172 216.0603 4.029013 -14.82703 
7.650961 
1 1 1 5   -6  11 f 218.6890 4.058396  9915.199       346.4126 9671.855       
416.4189 10462.02       624.2253 214.4861 4.624368 222.8920 6.670648 -8.405853 
8.116793 
1 1 1 5   -6  12 o 283.4583 4.285601  16626.67       479.9603 16086.36       
582.4275 17770.05       847.2529 276.5395 5.016558 290.3770 6.949794 -13.83755 
8.571201 
1 1 1 5   -6  13 o 260.6001 6.177686  14360.02       675.8581 14326.34       
950.3582 14394.50       961.3521 260.2996 8.696308 260.9006 8.776643 
-0.6010437     12.35537 
1 1 1 5   -6  14 o 45.41602 5.130491  433.7519       94.47398 545.3346       
143.9707 349.3684       125.2000 50.83594 6.745656 39.99609 7.732003 10.83986 
10.26098 
1 1 1 5   -6  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -6  16 o 108.4269 4.293818  2468.655       179.2362 2522.087       
328.3866 2445.982       213.9086 109.1202 7.168056 107.7335 4.729317 1.386635 
8.587635 
1 1 1 5   -6  17 o 65.72070 6.902750  915.9799       190.4597 0.000000       
0.000000 915.9799       190.4597 ?        ?        65.72070 6.902750 ? ? 
1 1 1 5   -6  18 o 290.7231 10.30502  18630.67       1155.559 18876.62       
2092.658 18522.78       1386.038 289.1136 17.24053 292.3325 11.29325 -3.218842 
20.61003 
1 1 1 5   -6  19 o 193.3313 6.457598  8032.595       496.7678 8004.514       
848.4857 8047.243       612.7717 192.3723 10.50565 194.2903 7.512228 -1.917923 
12.91520 
1 1 1 5   -6  20 o 117.7333 4.302644  2981.999       190.2064 2840.229       
356.7006 3038.326       224.8396 115.4805 7.357259 119.9860 4.463375 -4.505455 
8.605288 
1 1 1 5   -6  21 o 116.1521 4.414778  2796.359       190.7313 3009.720       
374.2959 2721.525       221.6705 118.7907 7.505051 113.5135 4.651374 5.277191 
8.829556 
1 1 1 5   -6  22 o 138.5808 4.863679  3950.714       261.5098 4482.530       
483.3370 3730.595       310.9547 144.5607 7.963810 132.6008 5.585628 11.95985 
9.727359 
1 1 1 5   -6  23 o 133.3134 4.710960  3767.638       251.7481 3928.497       
428.2792 3682.715       311.1855 135.0996 7.550818 131.5272 5.635401 3.572372 
9.421921 
1 1 1 5   -6  24 f 59.56331 4.292565  742.3985       105.1678 846.7079       
170.3427 678.1489       133.6894 62.78622 6.462196 56.34040 5.651946 6.445824 
8.585131 
1 1 1 5   -6  25 o 83.30202 4.078275  1403.715       121.7411 1659.604       
257.6891 1330.192       138.1278 87.46387 7.017597 79.14017 4.157241 8.323700 
8.156550 
1 1 1 5   -6  26 o 98.05669 3.956277  2076.280       151.4622 2062.355       
267.9933 2082.816       183.5964 97.33363 6.558161 98.77975 4.427079 -1.446121 
7.912554 
1 1 1 5   -6  27 o 39.13972 5.904160  369.8347       86.51646 308.9678       
163.9830 393.3126       101.8444 35.74933 10.33941 42.53012 5.703765 -6.780796 
11.80832 
1 1 1 5   -6  28 o 77.79962 4.356218  1278.269       115.6337 1442.252       
257.9218 1237.017       129.3632 79.69090 7.709041 75.90834 4.059217 3.782562 
8.712437 
1 1 1 5   -6  29 o 76.45163 4.408499  1322.284       118.2108 1274.694       
243.2753 1336.993       135.2515 74.20116 7.809232 78.70210 4.093332 -4.500931 
8.816998 
1 1 1 5   -6  30 o 34.67340 6.993478  265.0580       91.73616 426.4974       
200.5482 222.3402       103.1616 39.26586 11.45941 30.08093 8.019785 9.184931 
13.98696 
1 1 1 5   -6  31 o 20.62924 6.330941  -0.5620888E-02 87.22113 151.4597       
182.1383 -45.07484      99.35381 26.18052 10.61304 15.07796 6.905560 11.10256 
12.66188 
1 1 1 5   -6  32 o 44.22846 5.990362  487.6693       97.60149 531.9911       
185.9212 470.8082       114.6734 43.44620 10.33022 45.01073 6.068309 -1.564526 
11.98072 
1 1 1 5   -6  33 o 28.36886 7.143057  234.3521       99.96226 297.0528       
187.9991 209.6380       118.0300 29.68502 11.14354 27.05271 8.939498 2.632307 
14.28611 
1 1 1 5   -5  0  o 210.0704 2.188024  9262.220       188.6577 9240.143       
242.3802 9296.153       300.4941 209.7638 2.752249 210.3770 3.402193 
-0.6132050     4.376047 
1 1 1 5   -5  1  o 344.4012 3.821232  24849.26       511.2573 25165.27       
920.3423 24708.22       614.8531 345.8824 6.337849 342.9200 4.270705 2.962402 
7.642464 
1 1 1 5   -5  2  o 108.2789 2.486095  2417.260       106.1855 2594.135       
188.2545 2334.727       128.5946 111.1194 4.035307 105.4385 2.904990 5.680870 
4.972189 
1 1 1 5   -5  3  o 216.3685 4.493890  9833.486       405.3765 9728.485       
540.8794 9968.058       612.3229 215.0778 5.989988 217.6593 6.700765 -2.581467 
8.987781 
1 1 1 5   -5  4  o 162.5605 3.468408  5558.316       235.6757 5509.218       
349.2547 5599.364       319.3419 161.8910 5.138551 163.2300 4.659905 -1.338989 
6.936816 
1 1 1 5   -5  5  o 159.5406 3.792464  5339.179       253.2457 5497.284       
375.2709 5206.967       343.1657 161.6970 5.527950 157.3842 5.193545 4.312805 
7.584929 
1 1 1 5   -5  6  o 102.2599 2.110480  2189.621       90.11874 2256.825       
135.5126 2136.334       120.6692 103.6604 3.113781 100.8594 2.849713 2.800964 
4.220959 
1 1 1 5   -5  7  o 68.86963 2.500375  997.8158       72.15315 967.7915       
104.4131 1025.258       99.82167 67.87484 3.664098 69.86443 3.403218 -1.989586 
5.000751 
1 1 1 5   -5  8  f 198.5353 3.869218  8274.246       292.7670 8320.536       
544.0148 8255.374       347.3566 198.8567 6.516158 198.2139 4.174097 0.6428223 
7.738436 
1 1 1 5   -5  9  o 273.3839 5.337693  15683.68       555.5397 15875.53       
1035.634 15606.18       658.2629 274.3661 8.990766 272.4016 5.755867 1.964539 
10.67539 
1 1 1 5   -5  10 o 311.5717 7.159499  20327.90       925.4378 21623.04       
1440.679 19418.06       1207.511 319.8288 10.72928 303.3145 9.482416 16.51434 
14.31900 
1 1 1 5   -5  11 o 146.3148 2.745714  4470.873       167.9966 4204.474       
225.6546 4802.127       251.6280 141.4579 3.799601 151.1716 3.964695 -9.713654 
5.491427 
1 1 1 5   -5  12 o 111.6416 2.804832  2640.772       130.3859 2369.507       
190.1138 2881.679       179.1603 106.1742 4.264966 117.1089 3.643953 -10.93469 
5.609664 
1 1 1 5   -5  13 o 212.2101 4.490054  9500.618       385.2154 9543.331       
484.1096 9426.893       636.0200 212.9584 5.414643 211.4617 7.164074 1.496719 
8.980107 
1 1 1 5   -5  14 o 23.80823 5.666356  111.6404       66.75369 111.6239       
89.57111 111.6609       100.1143 23.57056 7.787550 24.04589 8.233129 
-0.4753284     11.33271 
1 1 1 5   -5  15 o 200.4082 7.626875  8559.519       633.9579 8621.465       
836.1904 8475.782       972.2087 201.4826 9.885275 199.3338 11.61715 2.148788 
15.25375 
1 1 1 5   -5  16 o 98.18282 4.702629  2030.217       193.8452 0.000000       
0.000000 2030.217       193.8452 ?        ?        98.18282 4.702629 ? ? 
1 1 1 5   -5  17 f 136.9803 8.719633  3993.935       501.4589 0.000000       
0.000000 3993.935       501.4589 ?        ?        136.9803 8.719633 ? ? 
1 1 1 5   -5  18 o 21.08868 6.077113  41.52369       80.11428 19.65515       
145.0177 51.12953       96.11221 22.13790 9.274471 20.03946 7.855532 2.098440 
12.15423 
1 1 1 5   -5  19 o 237.5298 8.263484  12204.32       757.2772 12439.06       
1376.138 12102.36       906.9484 237.5292 13.79959 237.5305 9.094614 
-0.1296997E-02 16.52697 
1 1 1 5   -5  20 o 72.52905 4.186850  1077.685       118.6764 1216.542       
216.3218 1017.899       141.9442 75.64815 6.811192 69.40996 4.870986 6.238190 
8.373699 
1 1 1 5   -5  21 o 183.0164 6.464231  7281.748       478.1733 6828.436       
776.1901 7559.017       607.0457 177.7707 10.39989 188.2621 7.680323 -10.49139 
12.92846 
1 1 1 5   -5  22 o 89.52765 3.865234  1659.463       138.3967 1821.307       
239.4561 1578.283       169.5907 92.62582 6.157648 86.42947 4.673704 6.196350 
7.730468 
1 1 1 5   -5  23 o 120.0994 3.648490  2995.315       179.5598 3340.521       
293.3918 2788.579       227.0474 125.4194 5.571912 114.7793 4.711659 10.64011 
7.296981 
1 1 1 5   -5  24 o 71.58517 4.066292  1075.471       113.4637 1140.229       
204.8856 1046.826       136.2673 72.91465 6.692952 70.25571 4.619883 2.658943 
8.132585 
1 1 1 5   -5  25 o 102.7419 3.937283  2274.834       153.1759 2213.266       
284.5514 2299.954       181.7574 101.3439 6.687815 104.1399 4.157154 -2.795990 
7.874567 
1 1 1 5   -5  26 o 55.38640 4.325659  588.1682       92.72987 866.0692       
178.6612 485.7015       108.4867 63.18513 6.734981 47.58767 5.430040 15.59746 
8.651318 
1 1 1 5   -5  27 o 44.53764 5.550055  404.1543       89.50101 545.3821       
182.8016 359.6255       102.6455 48.37191 9.334499 40.70337 6.006627 7.668549 
11.10011 
1 1 1 5   -5  28 o 44.02645 6.075386  491.0762       89.06614 375.8026       
190.8789 523.1596       100.7008 38.82792 11.13095 49.22498 4.872688 -10.39705 
12.15077 
1 1 1 5   -5  29 o 91.32831 4.017671  1813.659       135.3540 1881.094       
265.0956 1789.880       157.4200 91.46188 6.903726 91.19473 4.111605 0.2671585 
8.035342 
1 1 1 5   -5  30 o 66.55704 4.550012  1001.207       108.8527 993.9805       
217.8318 1003.612       125.6680 65.15787 7.962979 67.95622 4.404701 -2.798355 
9.100023 
1 1 1 5   -5  31 o 32.61735 5.683161  321.0718       88.72337 23.82991       
182.3285 413.2937       101.5586 22.32268 9.869951 42.91202 5.637137 -20.58934 
11.36632 
1 1 1 5   -5  32 o 43.93797 6.254661  526.3290       95.46590 424.2177       
195.2509 558.4091       109.4394 38.03557 11.36348 49.84037 5.230142 -11.80481 
12.50932 
1 1 1 5   -5  33 o 16.39808 5.396523  -40.48375      83.52348 -110.6122      
161.2520 -14.77015      97.64265 17.14163 8.170911 15.65452 7.051670 1.487109 
10.79305 
1 1 1 5   -5  34 o 19.37661 6.173988  35.05785       104.2348 -60.71446      
195.8220 72.92193       123.1276 18.95272 9.021784 19.80049 8.430893 
-0.8477612     12.34798 
1 1 1 5   -4  0  o 262.7822 5.343150  14530.55       586.1160 14468.18       
787.1297 14608.17       878.0980 262.1896 7.150755 263.3748 7.941267 -1.185211 
10.68630 
1 1 1 5   -4  1  o 32.80782 3.201194  231.5515       40.56776 338.4971       
60.01758 141.5861       55.04711 40.14322 3.561127 25.47242 5.320614 14.67080 
6.402387 
1 1 1 5   -4  2  o 182.9507 3.364101  7095.830       215.8108 6922.349       
451.9895 7147.059       245.6167 181.4307 5.933877 184.4707 3.171405 -3.039963 
6.728203 
1 1 1 5   -4  3  o 74.97281 2.404151  1174.827       75.44431 1254.547       
112.1646 1108.962       101.9536 77.28329 3.456936 72.66232 3.342059 4.620972 
4.808302 
1 1 1 5   -4  4  o 213.5112 3.932355  9358.573       281.7223 9964.042       
640.2719 9213.209       313.7234 217.5926 7.008764 209.4298 3.568038 8.162735 
7.864711 
1 1 1 5   -4  5  o 197.8228 4.226315  8247.713       348.7763 8065.674       
520.4025 8396.158       469.9375 195.8147 6.330167 199.8310 5.601421 -4.016357 
8.452629 
1 1 1 5   -4  6  o 457.8585 8.633957  44352.54       1622.548 44365.82       
2086.603 44332.23       2580.571 458.3194 10.84408 457.3976 13.43826 0.9218445 
17.26791 
1 1 1 5   -4  7  o 356.4982 7.952602  26827.28       1189.329 26137.01       
1642.718 27587.71       1724.167 351.7097 11.12499 361.2867 11.36706 -9.577026 
15.90520 
1 1 1 5   -4  8  o 271.8446 4.730297  15594.83       418.5256 15621.00       
463.6232 15479.60       972.8367 272.6702 4.049940 271.0191 8.549903 1.651093 
9.460594 
1 1 1 5   -4  9  o 318.7890 6.473413  21406.57       865.8201 22156.47       
1252.571 20720.40       1198.150 324.1210 9.204843 313.4570 9.104461 10.66397 
12.94683 
1 1 1 5   -4  10 o 314.1990 5.397168  20842.73       679.5431 20625.23       
1143.796 20961.39       844.8013 312.7697 8.710536 315.6283 6.375286 -2.858643 
10.79434 
1 1 1 5   -4  11 o 91.19357 2.765779  1754.984       105.4294 1879.358       
146.1847 1620.170       152.1962 94.58015 3.681485 87.80699 4.128534 6.773163 
5.531558 
1 1 1 5   -4  12 o 84.94315 2.875564  1506.342       102.0123 1610.042       
154.0397 1425.335       136.1460 87.52710 4.191903 82.35918 3.937439 5.167915 
5.751128 
1 1 1 5   -4  13 o 285.4663 6.373143  17203.20       763.6714 16797.17       
1068.767 17626.75       1091.583 282.0236 9.026486 288.9091 8.999465 -6.885559 
12.74629 
1 1 1 5   -4  14 o 99.10554 2.780071  2048.609       113.8109 1979.719       
147.1520 2151.167       179.5438 97.05833 3.611224 101.1527 4.227795 -4.094406 
5.560143 
1 1 1 5   -4  15 o 53.34521 3.724117  602.4149       82.73837 515.9193       
117.1806 688.4078       116.8396 49.49415 5.639272 57.19628 4.865676 -7.702129 
7.448235 
1 1 1 5   -4  16 o 223.6794 7.789289  10697.34       683.3912 10568.76       
1198.901 10759.23       831.7462 222.0658 12.85945 225.2928 8.793555 -3.227005 
15.57858 
1 1 1 5   -4  17 o 48.73748 8.027017  503.6921       164.2465 0.000000       
0.000000 503.6921       164.2465 ?        ?        48.73748 8.027017 ? ? 
1 1 1 5   -4  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -4  19 o 133.6269 4.213816  3676.880       228.5924 4178.923       
384.3393 3402.070       284.3550 140.3806 6.521221 126.8732 5.338413 13.50739 
8.427631 
1 1 1 5   -4  20 o 56.10970 4.331789  625.9304       89.17284 755.0822       
183.2836 585.8780       102.0676 59.54186 7.331996 52.67754 4.615127 6.864319 
8.663577 
1 1 1 5   -4  21 o 252.0797 9.038182  13672.67       741.2683 14333.55       
1729.795 13524.00       820.4156 252.3787 16.32537 251.7807 7.761266 0.5980072 
18.07636 
1 1 1 5   -4  22 o 57.24599 4.023297  672.1495       91.90869 764.0132       
160.8684 627.6328       111.9853 59.99197 6.387025 54.50001 4.894241 5.491962 
8.046595 
1 1 1 5   -4  23 o 236.1299 5.798980  11945.24       573.5410 11815.94       
782.9877 12094.95       842.4965 234.9077 7.939239 237.3522 8.454655 -2.444550 
11.59796 
1 1 1 5   -4  24 o 161.7440 5.190331  5625.892       323.8392 5581.989       
585.6659 5645.227       388.6600 160.5824 8.687063 162.9056 5.682702 -2.323166 
10.38066 
1 1 1 5   -4  25 o 54.61030 4.884212  638.9432       96.37569 647.3344       
194.2688 636.2038       110.9976 54.50459 8.489676 54.71600 4.831924 
-0.2114067     9.768424 
1 1 1 5   -4  26 o 37.34304 6.417017  282.0557       86.17209 398.4375       
186.0839 250.2852       97.22506 41.30921 10.66090 33.37687 7.145454 7.932346 
12.83403 
1 1 1 5   -4  27 o 53.91678 4.532595  651.7891       89.33186 584.9940       
171.0033 676.8592       104.7633 51.49708 7.909391 56.33647 4.429358 -4.839390 
9.065190 
1 1 1 5   -4  28 o 57.06708 4.555766  716.0323       93.72911 706.9434       
187.6307 719.0544       108.1959 56.20355 7.951724 57.93061 4.448604 -1.727066 
9.111531 
1 1 1 5   -4  29 o 50.28252 5.474563  641.7018       87.98360 468.9477       
181.9011 694.4620       100.5251 43.70664 10.10690 56.85839 4.211154 -13.15174 
10.94913 
1 1 1 5   -4  30 o 20.69460 6.118939  47.06779       75.03165 60.99893       
165.7198 43.47562       84.15097 23.37253 9.858611 18.01667 7.250757 5.355856 
12.23788 
1 1 1 5   -4  31 o 39.98228 6.095163  468.0722       87.95205 242.5469       
187.6308 531.5808       99.56867 30.75538 11.19719 49.20919 4.819451 -18.45382 
12.19033 
1 1 1 5   -4  32 o 60.19901 5.489703  996.8990       103.5964 621.1492       
200.9534 1132.906       120.9003 48.27262 10.22772 72.12539 3.992641 -23.85277 
10.97941 
1 1 1 5   -4  33 o 25.98831 6.568961  137.7663       79.83370 280.8080       
165.9366 94.68513       91.06572 31.22675 10.59956 20.74987 7.762363 10.47687 
13.13792 
1 1 1 5   -4  34 o 46.34863 5.946609  525.9771       94.12083 663.7535       
202.4795 488.0010       106.3039 47.01436 10.52273 45.68289 5.542640 1.331467 
11.89322 
1 1 1 5   -3  0  o 308.6595 4.597986  19854.80       482.6906 20363.04       
1067.427 19724.16       541.1836 310.9261 8.177155 306.3929 4.207140 4.533173 
9.195971 
1 1 1 5   -3  1  o 189.8320 3.198891  7560.452       254.2282 7419.470       
345.3743 7727.179       375.5892 187.9099 4.377856 191.7542 4.665405 -3.844315 
6.397783 
1 1 1 5   -3  2  o 231.9170 3.493785  11487.66       320.1133 11871.84       
394.8619 10751.02       546.7662 237.7174 3.956447 226.1166 5.759572 11.60078 
6.987570 
1 1 1 5   -3  3  o 120.2958 2.715757  3046.286       135.0610 3003.527       
209.4120 3076.741       176.7300 119.5633 4.171812 121.0282 3.478122 -1.464890 
5.431514 
1 1 1 5   -3  4  o 137.4989 3.330245  3934.442       189.8324 4209.707       
296.6581 3743.571       247.0309 141.5220 4.992905 133.4757 4.408290 8.046295 
6.660490 
1 1 1 5   -3  5  o 236.1263 4.904072  11786.19       482.7058 12249.36       
652.8780 11227.72       716.9033 241.3062 6.444431 230.9463 7.393849 10.35989 
9.808145 
1 1 1 5   -3  6  o 101.5463 2.732082  2163.296       115.7532 2140.201       
154.9006 2192.502       174.1919 100.9375 3.655287 102.1551 4.061522 -1.217583 
5.464164 
1 1 1 5   -3  7  o 215.2990 4.906316  9750.218       443.3546 9948.879       
636.4219 9562.901       617.9808 217.4260 6.971955 213.1718 6.905040 4.254196 
9.812632 
1 1 1 5   -3  8  f 405.1892 7.299596  34957.67       1101.635 35316.73       
1292.580 34004.48       2106.010 409.5591 7.517300 400.8194 12.51506 8.739655 
14.59919 
1 1 1 5   -3  9  o 453.5273 9.519742  43558.07       1810.195 42819.04       
2487.665 44389.77       2639.042 449.5339 13.18106 457.5206 13.73905 -7.986694 
19.03948 
1 1 1 5   -3  10 o 303.0106 6.807689  19374.12       865.9813 19294.82       
1230.168 19452.02       1219.269 302.3857 9.690011 303.6354 9.564633 -1.249664 
13.61538 
1 1 1 5   -3  11 o 303.6213 6.861532  19449.69       874.1979 19697.35       
1259.763 19219.66       1214.106 305.4643 9.823123 301.7784 9.582730 3.685822 
13.72306 
1 1 1 5   -3  12 o 108.2578 2.673052  2397.007       116.1428 2681.198       
200.2242 2252.894       142.5815 112.9535 4.222193 103.5621 3.279317 9.391380 
5.346105 
1 1 1 5   -3  13 o 148.6946 3.295234  4692.449       202.9755 4333.463       
306.2426 4973.703       271.0668 143.5536 5.081273 153.8356 4.197015 -10.28197 
6.590468 
1 1 1 5   -3  14 f 304.8874 6.865396  19652.19       878.6219 19516.05       
1228.945 19794.54       1256.635 303.8242 9.634546 305.9505 9.783158 -2.126312 
13.73079 
1 1 1 5   -3  15 o 147.2112 3.219923  4486.932       181.7325 4730.974       
338.0970 4387.772       215.5134 149.9285 5.371284 144.4939 3.552595 5.434616 
6.439847 
1 1 1 5   -3  16 o 98.71481 4.106906  2064.073       156.3417 2025.300       
282.8193 2081.136       187.6141 97.97047 6.875984 99.45915 4.493055 -1.488678 
8.213812 
1 1 1 5   -3  17 o 106.9171 7.199043  2416.536       323.1476 0.000000       
0.000000 2416.536       323.1476 ?        ?        106.9171 7.199043 ? ? 
1 1 1 5   -3  18 f 103.4516 4.044310  2198.070       157.2757 2396.873       
304.6093 2125.807       183.6483 106.4336 6.816874 100.4696 4.353850 5.964073 
8.088620 
1 1 1 5   -3  19 o 89.57281 4.199728  1690.522       157.9343 0.000000       
0.000000 1690.522       157.9343 ?        ?        89.57281 4.199728 ? ? 
1 1 1 5   -3  20 o 202.8234 6.720706  8571.695       444.0715 9258.791       
1047.488 8421.152       490.3127 206.2216 12.09863 199.4252 5.856176 6.796432 
13.44141 
1 1 1 5   -3  21 o 186.5303 6.512592  7270.296       388.0451 7796.448       
936.7286 7161.299       426.3479 189.1290 11.79714 183.9316 5.521140 5.197403 
13.02518 
1 1 1 5   -3  22 o 103.1418 3.868422  2144.982       149.5702 2489.307       
294.8500 2025.677       173.5588 108.2847 6.485675 97.99903 4.218383 10.28564 
7.736843 
1 1 1 5   -3  23 o 139.2484 3.733239  4063.497       215.1784 4332.012       
337.9321 3880.383       279.0648 143.0045 5.628604 135.4922 4.905823 7.512344 
7.466477 
1 1 1 5   -3  24 o 147.2434 4.768684  4595.215       222.7936 4669.152       
536.1365 4579.782       244.9442 147.1898 8.675981 147.2970 3.960904 
-0.1071625     9.537369 
1 1 1 5   -3  25 o 73.91408 4.069451  1017.700       102.3169 1429.949       
241.6262 927.6286       112.9426 81.60399 7.052671 66.22416 4.062212 15.37983 
8.138903 
1 1 1 5   -3  26 o 31.36361 5.245720  274.5080       88.22398 -189.8176      
186.9519 407.5368       100.0671 19.03608 8.961583 43.69114 5.455305 -24.65507 
10.49144 
1 1 1 5   -3  27 o 27.86935 6.615724  168.6443       82.67085 106.3753       
185.9415 183.9859       92.29482 27.21977 10.84672 28.51894 7.577592 -1.299177 
13.23145 
1 1 1 5   -3  28 o 82.90477 3.730614  1479.364       107.8128 1478.714       
227.8903 1479.551       122.3735 82.31740 6.594097 83.49214 3.491105 -1.174744 
7.461228 
1 1 1 5   -3  29 o 57.49743 4.467301  627.6167       88.53516 914.7009       
205.8489 562.4572       98.06924 63.85051 7.679011 51.14435 4.567265 12.70615 
8.934602 
1 1 1 5   -3  30 o 61.30799 4.607441  834.2047       101.0864 843.1976       
205.0698 831.3182       116.1825 60.57748 8.063278 62.03850 4.460674 -1.461025 
9.214883 
1 1 1 5   -3  31 o 59.04425 4.393483  808.1716       96.13313 718.5083       
178.4306 844.8433       114.1110 55.69233 7.631238 62.39618 4.356028 -6.703850 
8.786966 
1 1 1 5   -3  32 o 20.84518 6.101614  61.83931       87.05936 -86.18826      
181.2532 106.2318       99.25887 19.53473 9.094897 22.15564 8.136436 -2.620914 
12.20323 
1 1 1 5   -3  33 f 27.61523 6.205314  208.2329       85.05762 98.35152       
161.5217 250.3964       100.0546 23.49593 9.812224 31.73454 7.598944 -8.238604 
12.41063 
1 1 1 5   -3  34 o 31.42090 6.533814  291.3070       89.50237 206.0391       
198.4018 313.0932       100.2867 27.23140 11.06238 35.61040 6.956048 -8.379002 
13.06763 
1 1 1 5   -3  35 o 29.15194 7.040241  265.5505       98.91708 269.4829       
200.1524 264.2797       113.7837 27.82396 11.18871 30.47993 8.548260 -2.655970 
14.08048 
1 1 1 5   -2  0  o 116.9476 2.444675  2881.688       119.6294 2725.888       
173.3243 3023.434       165.3222 113.9159 3.624068 119.9794 3.282053 -6.063515 
4.889350 
1 1 1 5   -2  1  o 153.9099 2.934967  4897.438       169.3314 4803.615       
197.9444 5153.431       326.9663 151.2349 3.117541 156.5850 4.973636 -5.350037 
5.869933 
1 1 1 5   -2  2  o 257.5851 3.798271  13944.42       410.0611 14018.44       
598.3135 13878.84       563.1138 258.2191 5.519015 256.9512 5.219954 1.267883 
7.596541 
1 1 1 5   -2  3  o 154.6307 3.079447  5006.122       180.2650 4982.662       
212.7759 5065.782       339.3131 154.0232 3.290465 155.2382 5.206228 -1.214935 
6.158894 
1 1 1 5   -2  4  o 177.5430 3.458571  6407.831       208.3792 6997.403       
469.3012 6263.050       232.5616 182.4011 6.128375 172.6849 3.207782 9.716217 
6.917141 
1 1 1 5   -2  5  o 21.90361 3.939595  102.7329       38.53441 156.2994       
55.32581 52.26421       53.70222 26.82768 5.096264 16.97955 6.009138 9.848127 
7.879191 
1 1 1 5   -2  6  o 247.4949 4.428945  12689.94       323.9004 12611.93       
349.7592 13159.72       858.3339 245.0402 3.399797 249.9497 8.179461 -4.909531 
8.857890 
1 1 1 5   -2  7  o 247.3207 5.501420  12793.00       564.6340 13438.03       
876.1410 12334.81       738.4297 252.5670 8.262631 242.0743 7.265768 10.49272 
11.00284 
1 1 1 5   -2  8  o 168.7476 3.375565  5817.908       194.7550 6274.309       
432.9176 5702.106       218.0673 172.7245 5.969975 164.7708 3.152327 7.953659 
6.751131 
1 1 1 5   -2  9  o 207.6445 4.195507  9024.889       360.2419 8828.203       
468.0709 9310.668       564.2102 204.9134 5.440795 210.3757 6.388024 -5.462296 
8.391013 
1 1 1 5   -2  10 o 384.9758 8.462159  31256.56       1362.594 30296.11       
1837.543 32429.81       2030.938 378.5251 11.56282 391.4265 12.35855 -12.90134 
16.92432 
1 1 1 5   -2  11 o 333.3856 5.567876  23762.40       627.0409 24008.43       
704.4286 22823.60       1376.041 337.9529 4.964801 328.8182 9.967733 9.134644 
11.13575 
1 1 1 5   -2  12 o 315.8313 4.646090  20972.39       519.6483 20954.82       
592.7186 21030.75       1080.348 315.7623 4.471048 315.9004 8.145817 
-0.1381226     9.292179 
1 1 1 5   -2  13 o 131.3494 3.570857  3621.383       196.7307 3487.015       
271.1449 3770.751       285.8777 128.7824 5.014943 133.9164 5.084725 -5.134033 
7.141714 
1 1 1 5   -2  14 o 304.5223 6.744551  19591.78       861.5597 19567.04       
1243.728 19614.60       1194.615 304.2971 9.735283 304.7475 9.337031 
-0.4503479     13.48910 
1 1 1 5   -2  15 o 304.0961 4.300324  19724.46       516.1152 18711.09       
886.4346 20244.18       634.8132 297.9466 7.086460 310.2457 4.873728 -12.29907 
8.600648 
1 1 1 5   -2  16 o 204.3877 5.374056  8804.877       458.3595 8938.556       
689.3437 8698.936       613.6718 205.7176 7.981517 203.0579 7.198424 2.659729 
10.74811 
1 1 1 5   -2  17 o 131.7048 8.080075  3669.482       446.7823 0.000000       
0.000000 3669.482       446.7823 ?        ?        131.7048 8.080075 ? ? 
1 1 1 5   -2  18 o 173.3900 5.121819  6367.398       342.6722 6341.695       
621.2637 6378.637       410.8155 172.8720 8.559973 173.9080 5.626630 -1.035950 
10.24364 
1 1 1 5   -2  19 o 83.01506 3.391270  1465.854       112.8848 1407.963       
188.2350 1498.368       141.0666 81.66867 5.489920 84.36145 3.982918 -2.692780 
6.782540 
1 1 1 5   -2  20 o 155.2142 5.642439  4837.807       295.1477 5638.660       
679.2199 4651.385       327.7042 162.0444 9.983838 148.3840 5.260368 13.66040 
11.28488 
1 1 1 5   -2  21 o 107.6798 5.376045  2452.810       243.0390 2452.810       
243.0390 0.000000       0.000000 107.6798 5.376045 ?        ?        ? ? 
1 1 1 5   -2  22 o 228.7009 6.356094  11244.82       543.6373 11163.19       
1035.176 11275.90       638.8210 226.9961 10.86218 230.4058 6.603996 -3.409760 
12.71219 
1 1 1 5   -2  23 o 32.04485 6.454224  204.5810       81.02225 274.6137       
165.5767 182.5324       92.90513 35.34448 10.44374 28.74523 7.586587 6.599249 
12.90845 
1 1 1 5   -2  24 o 81.46059 3.843144  1317.857       113.9256 1585.381       
236.9994 1237.463       129.9207 86.33549 6.538512 76.58569 4.040656 9.749802 
7.686289 
1 1 1 5   -2  25 o 109.9134 4.056149  2599.116       163.4956 2506.908       
319.0051 2631.965       190.4041 108.2206 7.021157 111.6061 4.063586 -3.385475 
8.112298 
1 1 1 5   -2  26 o 81.64040 3.844181  1393.138       118.6339 1483.727       
226.1639 1358.751       139.3429 83.18000 6.476278 80.10078 4.143518 3.079216 
7.688362 
1 1 1 5   -2  27 o 65.81367 3.901119  948.6237       94.32541 879.8438       
181.3978 974.1134       110.4292 63.82686 6.769392 67.80049 3.879467 -3.973633 
7.802238 
1 1 1 5   -2  28 o 127.1510 4.393618  3391.317       192.5516 3689.935       
421.7316 3312.673       216.4265 129.5235 7.755481 124.7786 4.131346 4.744911 
8.787235 
1 1 1 5   -2  29 o 47.09666 5.626939  540.9760       85.14279 438.2552       
183.4742 569.1682       96.11917 42.64093 10.34056 51.55239 4.441015 -8.911469 
11.25388 
1 1 1 5   -2  30 o 28.16604 6.826653  174.4924       85.83712 168.2323       
191.4936 176.0665       96.02457 28.86438 11.13452 27.46770 7.901598 1.396681 
13.65331 
1 1 1 5   -2  31 o 58.65065 4.305109  793.2261       93.02386 699.6010       
174.1047 830.6321       110.0489 55.28186 7.501513 62.01944 4.226480 -6.737572 
8.610217 
1 1 1 5   -2  32 o 45.00217 5.405892  463.1863       87.39722 513.2026       
171.7643 445.7136       101.5217 45.17984 9.369753 44.82450 5.394664 0.3553314 
10.81178 
1 1 1 5   -2  33 o 20.44979 6.115005  55.90618       84.23531 -45.48608      
184.3333 82.66780       94.70168 20.45244 9.383336 20.44714 7.843863 
0.5298615E-02  12.23001 
1 1 1 5   -2  34 o 28.37957 6.028049  231.8995       92.77535 10.25612       
173.8499 320.1534       109.7019 20.91535 9.416057 35.84378 7.529100 -14.92843 
12.05610 
1 1 1 5   -2  35 f 20.97359 6.415737  75.85014       96.58305 47.62774       
191.1244 85.52896       111.9259 21.59976 9.790264 20.34742 8.294423 1.252335 
12.83147 
1 1 1 5   -1  0  f 135.6804 2.580243  3900.027       139.9618 3757.321       
235.1725 3978.296       174.1645 133.7275 4.188775 137.6333 3.014096 -3.905838 
5.160485 
1 1 1 5   -1  1  o 88.84621 2.388946  1659.178       89.03735 1726.701       
125.4565 1590.652       126.3842 90.67007 3.295721 87.02233 3.459260 3.647743 
4.777893 
1 1 1 5   -1  2  o 334.4275 5.394320  23566.12       754.2988 23764.28       
1023.982 23331.02       1115.343 336.0126 7.258687 332.8423 7.981617 3.170288 
10.78864 
1 1 1 5   -1  3  o 315.8759 5.402791  21312.61       666.0921 20165.15       
1167.818 21865.90       810.9372 309.3020 8.993182 322.4499 5.990264 -13.14795 
10.80558 
1 1 1 5   -1  4  o 276.5247 4.180867  16132.23       476.8586 16367.99       
621.5223 15794.83       743.5154 279.0368 5.305378 274.0127 6.463093 5.024109 
8.361734 
1 1 1 5   -1  5  o 66.34877 2.379438  925.7585       66.07090 939.8884       
90.31227 909.4877       96.91331 66.89581 3.215651 65.80174 3.508061 1.094063 
4.758876 
1 1 1 5   -1  6  o 191.8146 4.360930  7646.263       346.7225 7198.194       
450.3298 8298.538       543.3430 185.0178 5.797468 198.6114 6.516150 -13.59361 
8.721860 
1 1 1 5   -1  7  o 181.0028 3.816478  6896.403       278.6478 6855.908       
462.7871 6919.433       349.0013 180.5475 6.105353 181.4580 4.581123 
-0.9104919     7.632956 
1 1 1 5   -1  8  o 39.64549 3.162432  330.3978       52.60809 317.5114       
74.36586 343.3073       74.43233 38.87061 4.556940 40.42038 4.386138 -1.549770 
6.324864 
1 1 1 5   -1  9  o 38.01646 3.320774  303.8131       52.98802 297.9898       
75.26779 309.5349       74.60930 37.65459 4.761155 38.37832 4.630502 
-0.7237282     6.641547 
1 1 1 5   -1  10 o 135.1219 3.140234  3832.703       178.0449 3676.382       
247.4704 4000.445       256.3515 132.2682 4.456449 137.9757 4.425419 -5.707474 
6.280468 
1 1 1 5   -1  11 o 140.3100 3.304151  4130.273       187.4406 4110.599       
235.0115 4164.668       310.7374 139.8740 4.001964 140.7460 5.258701 
-0.8719635     6.608302 
1 1 1 5   -1  12 o 140.4962 3.641841  4146.553       214.6985 4247.737       
309.9160 4053.182       297.7106 142.1411 5.193325 138.8513 5.106996 3.289795 
7.283682 
1 1 1 5   -1  13 o 114.3366 3.016877  2742.072       144.6481 2643.873       
198.7622 2852.635       210.9040 112.1659 4.220793 116.5074 4.311739 -4.341492 
6.033754 
1 1 1 5   -1  14 o 300.8015 5.498585  19284.28       667.9156 18254.77       
1091.649 19900.27       844.4146 294.1382 8.840006 307.4647 6.541564 -13.32651 
10.99717 
1 1 1 5   -1  15 o 90.48679 2.553068  1755.993       90.24855 1621.181       
156.9314 1822.610       110.3155 87.82118 4.256293 93.15240 2.820742 -5.331223 
5.106135 
1 1 1 5   -1  16 o 398.5389 13.10051  34703.48       2079.893 33118.89       
3499.898 35568.63       2586.083 389.4902 21.40326 407.5876 15.11272 -18.09747 
26.20103 
1 1 1 5   -1  17 o 213.0457 8.800034  9605.809       787.1111 0.000000       
0.000000 9605.809       787.1111 ?        ?        213.0457 8.800034 ? ? 
1 1 1 5   -1  18 o 177.8893 5.147049  6701.822       367.4207 6644.634       
616.6310 6733.303       457.5062 177.1168 8.292522 178.6618 6.099388 -1.545029 
10.29410 
1 1 1 5   -1  19 o 123.8198 3.945069  3230.156       193.9266 3249.286       
334.1921 3220.444       238.1181 123.9933 6.419762 123.6463 4.587039 0.3470459 
7.890138 
1 1 1 5   -1  20 o 69.00591 3.656199  1067.583       95.24934 853.6275       
168.2656 1168.467       115.5434 63.50883 6.310769 74.50298 3.693961 -10.99415 
7.312397 
1 1 1 5   -1  21 o 82.74284 3.744166  1408.453       121.5527 1555.792       
218.9761 1342.834       146.1346 85.69413 6.086486 79.79155 4.362316 5.902580 
7.488332 
1 1 1 5   -1  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   -1  23 o 208.3749 6.274796  9382.775       524.5430 9042.102       
872.8940 9575.328       656.2480 204.7200 10.15599 212.0298 7.372116 -7.309814 
12.54959 
1 1 1 5   -1  24 o 85.04836 4.222845  1384.622       125.5779 1814.181       
281.7448 1278.129       140.2831 92.27078 7.272987 77.82593 4.293407 14.44485 
8.445690 
1 1 1 5   -1  25 o 131.6357 4.825503  3632.682       236.3529 3836.220       
461.1299 3560.158       275.2590 133.6187 8.220100 129.6526 5.056865 3.966080 
9.651007 
1 1 1 5   -1  26 o 135.4008 4.860191  3839.972       248.3900 4143.480       
475.7252 3726.219       291.2414 138.3952 8.187589 132.4065 5.239200 5.988785 
9.720382 
1 1 1 5   -1  27 o 148.9100 5.213408  4759.079       274.4773 4871.483       
571.6608 4725.402       312.9046 148.8397 9.148307 148.9803 5.002695 
-0.1406555     10.42682 
1 1 1 5   -1  28 o 48.68341 4.747931  448.0478       88.42636 686.4109       
174.9671 366.2809       102.4768 56.10132 7.428555 41.26550 5.915062 14.83583 
9.495862 
1 1 1 5   -1  29 o 24.18919 6.795561  86.61897       90.35081 82.56387       
191.6819 87.77728       102.4453 26.29798 10.80957 22.08040 8.238434 4.217583 
13.59112 
1 1 1 5   -1  30 o 34.48612 6.102513  297.1903       84.29346 207.2517       
167.6750 327.6074       97.51110 30.27044 10.62767 38.70180 6.001281 -8.431360 
12.20503 
1 1 1 5   -1  31 o 52.42426 4.815208  579.6701       87.16251 683.1743       
192.8056 553.0832       97.71799 54.29218 8.458699 50.55634 4.603837 3.735836 
9.630416 
1 1 1 5   -1  32 f 39.43995 5.840023  344.2497       85.05665 457.1660       
166.2686 304.2261       98.98980 42.72309 9.516798 36.15680 6.771561 6.566292 
11.68005 
1 1 1 5   -1  33 o 57.34917 4.643743  700.7745       93.62901 859.4735       
203.1835 657.9903       105.4976 59.93415 8.074864 54.76420 4.588460 5.169949 
9.287486 
1 1 1 5   -1  34 o 46.18618 5.992509  598.3785       98.16199 388.8474       
179.8753 687.2452       117.1432 36.92279 10.87749 55.44957 5.031991 -18.52678 
11.98502 
1 1 1 5   -1  35 o 25.46730 7.154643  163.8339       105.2010 150.2192       
223.5478 167.7067       119.2285 25.72489 11.16438 25.20971 8.950550 0.5151825 
14.30929 
1 1 1 5   -1  36 o 31.39454 7.306964  254.5939       95.77504 494.1566       
208.0235 190.1536       107.8901 36.97771 11.85402 25.81137 8.546883 11.16635 
14.61393 
1 1 1 5   0   0  o 383.6252 3.549408  30928.53       570.8069 30854.39       
785.5507 31011.46       830.8374 383.1514 4.883429 384.0990 5.152214 
-0.9476013     7.098816 
1 1 1 5   0   1  f 174.3628 2.632068  6226.394       171.5563 6738.167       
334.9230 6044.354       199.7511 179.0717 4.454910 169.6538 2.804444 9.417953 
5.264136 
1 1 1 5   0   2  o 356.5004 3.890788  26629.86       579.2505 25891.22       
775.4742 27562.16       871.2294 350.9503 5.263114 362.0504 5.731714 -11.10013 
7.781576 
1 1 1 5   0   3  o 338.0249 6.164215  24058.41       874.4259 24820.84       
1258.575 23346.94       1215.784 343.1953 8.734921 332.8546 8.700076 10.34064 
12.32843 
1 1 1 5   0   4  o 185.5303 3.039881  7233.815       236.7039 7175.424       
338.3655 7289.776       331.2477 184.7944 4.361323 186.2662 4.235843 -1.471786 
6.079762 
1 1 1 5   0   5  o 121.5525 3.106667  3083.670       157.5908 3288.501       
238.9470 2925.988       209.6501 125.0965 4.549643 118.0085 4.231581 7.087990 
6.213335 
1 1 1 5   0   6  o 24.57833 4.013011  132.4134       40.66242 119.4940       
57.80564 145.0678       57.20969 23.38152 5.887973 25.77513 5.454248 -2.393612 
8.026023 
1 1 1 5   0   7  o 267.6729 2.851618  15043.60       319.7685 15190.91       
468.9076 14915.54       437.1976 268.8903 4.153682 266.4556 3.908175 2.434662 
5.703236 
1 1 1 5   0   8  o 202.0421 4.516644  8584.850       382.9236 8520.361       
532.1639 8654.090       551.4209 201.2614 6.298049 202.8228 6.475713 -1.561401 
9.033288 
1 1 1 5   0   9  o 157.9473 3.396247  5218.326       221.1123 5116.257       
285.3583 5371.688       349.7865 156.0405 4.355865 159.8541 5.211950 -3.813660 
6.792494 
1 1 1 5   0   10 o 54.29856 2.903459  619.0777       66.16777 635.8720       
95.00845 603.2598       92.20524 55.01313 4.113552 53.58399 4.098657 1.429134 
5.806918 
1 1 1 5   0   11 o 305.0820 4.812022  19769.03       596.8417 20356.32       
761.2286 18831.93       961.5669 311.1194 5.827859 299.0445 7.658870 12.07492 
9.624044 
1 1 1 5   0   12 o 87.66022 2.656502  1615.773       96.68888 1604.603       
147.8806 1624.114       127.7870 87.39014 4.030602 87.93031 3.461538 
-0.5401611     5.313003 
1 1 1 5   0   13 o 456.6049 5.712267  43919.07       1079.743 44014.66       
1673.199 43850.86       1413.433 456.8862 8.722896 456.3237 7.377741 0.5625305 
11.42453 
1 1 1 5   0   14 o 203.7862 3.881525  8805.513       311.5869 8525.418       
540.2158 8945.146       381.4270 201.2694 6.393085 206.3030 4.403794 -5.033524 
7.763050 
1 1 1 5   0   15 o 146.8310 3.194556  4548.855       190.3520 4465.852       
310.6412 4598.761       240.8725 145.7273 5.077376 147.9347 3.878271 -2.207474 
6.389111 
1 1 1 5   0   16 o 269.5902 8.338788  15453.52       908.3663 15528.54       
1141.303 15323.88       1500.380 270.8935 10.03514 268.2870 13.32057 2.606537 
16.67758 
1 1 1 5   0   17 o 96.57314 4.869668  1962.198       197.4398 0.000000       
0.000000 1962.198       197.4398 ?        ?        96.57314 4.869668 ? ? 
1 1 1 5   0   18 o 129.7577 4.149169  3399.405       201.7500 3881.232       
396.7795 3231.396       234.2987 135.5910 6.970105 123.9243 4.503336 11.66669 
8.298338 
1 1 1 5   0   19 o 182.6982 5.259319  7113.342       390.1323 6862.338       
632.4969 7267.481       495.6518 179.8812 8.375173 185.5152 6.363823 -5.634064 
10.51864 
1 1 1 5   0   20 o 138.3587 3.451241  4022.011       184.6098 4072.541       
335.0878 3999.990       221.2084 138.8633 5.747676 137.8542 3.822105 1.009109 
6.902483 
1 1 1 5   0   21 o 56.57103 3.553344  645.3840       81.02727 783.8655       
140.0015 575.6342       99.35927 60.89884 5.475763 52.24321 4.530015 8.655632 
7.106688 
1 1 1 5   0   22 o 124.8462 4.029660  3210.176       181.1908 3477.681       
374.1127 3128.199       207.1011 127.8852 6.967924 121.8071 4.049774 6.078018 
8.059319 
1 1 1 5   0   23 o 220.5026 6.948829  10340.39       643.2863 0.000000       
0.000000 10340.39       643.2863 ?        ?        220.5026 6.948829 ? ? 
1 1 1 5   0   24 o 128.9464 4.299240  3454.289       208.8566 3688.451       
400.8677 3367.041       244.6917 131.6117 7.254838 126.2812 4.615320 5.330544 
8.598480 
1 1 1 5   0   25 o 106.7514 4.114021  2382.791       162.9693 2491.786       
318.8427 2344.246       189.6084 108.1265 7.023694 105.3763 4.285838 2.750153 
8.228042 
1 1 1 5   0   26 o 164.9089 5.831162  5682.167       353.0407 6250.997       
708.8020 5494.489       407.1367 169.2067 9.977655 160.6111 6.037899 8.595627 
11.66232 
1 1 1 5   0   27 o 217.6389 7.424865  10293.88       577.8471 10933.76       
1189.689 10096.31       661.0626 218.9175 12.94417 216.3603 7.277565 2.557175 
14.84973 
1 1 1 5   0   28 o 87.09094 4.068479  1666.762       127.7309 1542.893       
252.4549 1709.382       148.0836 84.38172 7.126175 89.80017 3.927812 -5.418449 
8.136958 
1 1 1 5   0   29 o 110.2120 4.283473  2546.911       174.5627 2794.178       
346.3395 2462.705       202.1125 112.9749 7.301992 107.4491 4.480345 5.525742 
8.566947 
1 1 1 5   0   30 o 39.47945 6.374839  329.8289       90.89457 447.5822       
190.0083 294.8859       103.5060 42.95389 10.58969 36.00502 7.100188 6.948872 
12.74968 
1 1 1 5   0   31 o 67.27446 4.065360  979.5738       103.9044 1019.138       
194.5974 963.7957       122.8883 67.62440 6.854165 66.92451 4.373675 0.6998901 
8.130720 
1 1 1 5   0   32 o 38.80153 6.243655  393.4222       89.64487 291.6734       
184.5618 424.8388       102.5549 33.71001 11.17861 43.89305 5.565213 -10.18304 
12.48731 
1 1 1 5   0   33 o 76.44788 4.151046  1334.898       120.9493 1243.271       
217.7996 1375.754       145.4357 73.41958 7.065879 79.47619 4.358681 -6.056610 
8.302093 
1 1 1 5   0   34 o 21.75937 6.555904  62.63304       101.7068 -6.373091      
190.0494 90.32782       120.3986 21.63575 9.786898 21.88300 8.725604 
-0.2472477     13.11181 
1 1 1 5   0   35 o 44.95716 6.820650  602.2509       104.0709 442.3596       
235.2824 641.1427       116.0397 36.65233 12.61571 53.26199 5.189317 -16.60966 
13.64130 
1 1 1 5   0   36 o 53.15135 6.633793  907.7318       117.8426 533.8316       
225.7105 1047.843       138.1691 38.60069 12.34500 67.70200 4.861054 -29.10131 
13.26759 
1 1 1 5   1   0  o 259.5417 4.055896  14123.31       441.2348 14893.03       
646.8660 13453.56       603.3995 266.1318 5.789468 252.9516 5.681834 13.18016 
8.111793 
1 1 1 5   1   1  o 75.83745 2.083280  1198.094       66.04264 1358.650       
98.27909 1065.892       89.17938 80.43327 2.910359 71.24164 2.981616 9.191628 
4.166560 
1 1 1 5   1   2  o 218.5793 3.654767  9909.941       263.8350 9828.979       
292.8214 10259.22       608.1972 216.3290 3.224105 220.8297 6.560064 -4.500656 
7.309535 
1 1 1 5   1   3  o 260.6344 3.978154  14277.49       417.7094 14264.05       
521.7651 14301.46       697.0657 260.5226 4.770354 260.7461 6.367618 
-0.2234497     7.956308 
1 1 1 5   1   4  o 257.3835 3.803586  13765.30       372.5399 14308.58       
699.6639 13550.33       440.1162 260.8089 6.389812 253.9580 4.127875 6.850891 
7.607171 
1 1 1 5   1   5  o 142.3335 3.058422  4257.508       181.2342 4262.705       
241.2991 4250.782       274.5080 142.4420 4.034956 142.2250 4.597270 0.2169342 
6.116843 
1 1 1 5   1   6  o 20.12738 4.248513  85.28231       39.00669 103.2392       
55.88164 68.21934       54.47291 21.80682 5.942849 18.44795 6.073054 3.358875 
8.497025 
1 1 1 5   1   7  o 82.34457 2.215633  1433.397       76.01881 1612.860       
106.5094 1247.050       108.5328 87.63564 2.894865 77.05350 3.354978 10.58213 
4.431266 
1 1 1 5   1   8  o 40.49199 3.102789  344.2412       52.49481 300.2681       
72.82156 391.8123       75.74231 37.80029 4.588660 43.18369 4.177725 -5.383404 
6.205577 
1 1 1 5   1   9  o 44.78078 2.998548  421.7979       56.29721 445.7602       
79.43336 397.6137       79.80048 46.06133 4.107594 43.50023 4.369534 2.561100 
5.997096 
1 1 1 5   1   10 o 20.80941 4.728166  83.52895       49.38005 39.42189       
69.58027 128.2851       70.09039 17.30598 6.704321 24.31283 6.668905 -7.006855 
9.456332 
1 1 1 5   1   11 o 297.2407 5.734267  18611.22       715.3676 18591.12       
999.0178 18632.38       1024.841 297.0887 8.009551 297.3928 8.208188 
-0.3040771     11.46853 
1 1 1 5   1   12 o 50.28051 3.142517  532.1194       66.20630 495.8574       
93.93895 567.9081       93.32378 48.57374 4.606439 51.98728 4.275790 -3.413540 
6.285034 
1 1 1 5   1   13 o 172.1106 2.890339  6218.756       170.0225 6233.382       
371.4846 6214.881       191.2267 172.1909 5.138682 172.0303 2.647675 0.1605377 
5.780678 
1 1 1 5   1   14 o 193.6619 3.212976  7978.447       252.9584 7481.779       
405.7724 8294.158       323.5162 188.6394 5.123553 198.6843 3.878408 -10.04494 
6.425951 
1 1 1 5   1   15 o 128.2232 3.065365  3476.874       163.2776 3292.441       
245.7736 3622.580       218.4522 125.1476 4.677713 131.2988 3.962934 -6.151131 
6.130730 
1 1 1 5   1   16 o 326.0482 9.824952  22605.93       1315.432 22782.34       
2092.830 22490.73       1691.274 326.6217 15.26194 325.4747 12.37707 1.147034 
19.64990 
1 1 1 5   1   17 o 157.3838 4.370224  5208.298       288.7637 0.000000       
0.000000 5208.298       288.7637 ?        ?        157.3838 4.370224 ? ? 
1 1 1 5   1   18 o 180.7014 4.967135  6832.895       338.7153 7022.236       
642.9208 6760.151       398.5048 182.2161 8.404112 179.1868 5.297227 3.029266 
9.934270 
1 1 1 5   1   19 o 269.2471 7.747668  15381.42       808.1781 15665.46       
1461.394 15256.28       970.0049 270.2226 12.88151 268.2717 8.612320 1.950836 
15.49534 
1 1 1 5   1   20 o 112.2376 3.254978  2703.772       144.9549 2495.329       
244.3932 2816.898       180.0430 108.7676 5.351933 115.7076 3.706258 -6.939964 
6.509956 
1 1 1 5   1   21 o 134.9492 3.391333  3841.043       192.1326 3862.476       
273.2433 3820.082       270.2149 135.3197 4.809607 134.5786 4.782492 0.7410278 
6.782665 
1 1 1 5   1   22 o 75.28743 3.305454  1148.706       97.30635 1327.004       
178.0592 1072.786       116.1908 79.22231 5.353503 71.35255 3.878675 7.869759 
6.610909 
1 1 1 5   1   23 o 134.7813 3.622683  3721.763       183.1953 4108.064       
356.7995 3583.469       213.4831 139.1799 6.106171 130.3827 3.900001 8.797180 
7.245366 
1 1 1 5   1   24 o 154.0882 4.599065  5027.350       293.8032 5126.410       
454.6050 4956.298       385.0135 155.2580 6.974312 152.9183 5.997047 2.339661 
9.198131 
1 1 1 5   1   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   1   26 o 81.87048 4.165998  1434.205       129.4196 1401.538       
240.1000 1447.583       153.6520 80.98903 7.061337 82.75194 4.422634 -1.762909 
8.331997 
1 1 1 5   1   27 o 35.94249 6.719790  268.5161       91.97613 345.1547       
187.1623 244.1152       105.6080 38.88213 10.98248 33.00285 7.746447 5.879280 
13.43958 
1 1 1 5   1   28 o 150.7835 4.426158  4652.724       222.9546 5271.521       
514.8778 4509.916       247.3475 155.6827 7.877438 145.8843 4.038500 9.798401 
8.852316 
1 1 1 5   1   29 f 74.14429 4.506443  1282.305       121.4799 983.4656       
223.5322 1407.558       144.7158 66.93005 7.954996 81.35853 4.236762 -14.42848 
9.012885 
1 1 1 5   1   30 o 74.84740 3.807639  1215.226       110.0848 1187.696       
197.6969 1227.599       132.5329 73.83237 6.377847 75.86243 4.161194 -2.030060 
7.615278 
1 1 1 5   1   31 o 68.40224 4.433944  1129.747       112.2266 764.1273       
190.9153 1322.794       138.7258 58.24892 7.806818 78.55555 4.206310 -20.30663 
8.867888 
1 1 1 5   1   32 f 56.22565 4.659547  693.8060       97.72273 735.2433       
188.7281 678.6262       114.2283 56.57433 7.945812 55.87696 4.869248 0.6973763 
9.319094 
1 1 1 5   1   33 f 45.41644 6.236424  595.1014       100.6582 314.6668       
193.2294 699.5429       117.9217 34.36560 11.43809 56.46729 4.974138 -22.10170 
12.47285 
1 1 1 5   1   34 o 23.84912 6.597596  114.9296       89.97577 123.1711       
167.2050 111.5704       106.7492 25.03549 10.16052 22.66275 8.418843 2.372740 
13.19519 
1 1 1 5   1   35 o 34.68351 6.174233  366.1965       97.15350 132.6795       
196.1938 442.0615       111.8270 25.54646 10.74884 43.82056 6.078408 -18.27411 
12.34847 
1 1 1 5   1   36 o 46.77583 6.374755  551.1343       103.7768 658.2689       
217.8326 519.6797       118.0321 46.48639 11.26360 47.06528 5.973387 
-0.5788994     12.74951 
1 1 1 5   1   37 o 18.85930 6.231999  1.788011       105.7249 -79.37789      
242.7997 20.77853       117.4437 20.11139 9.690802 17.60721 7.838342 2.504177 
12.46400 
1 1 1 5   2   0  o 489.3254 7.820131  50661.43       1565.298 50963.03       
2003.560 50188.98       2507.653 491.5450 9.708681 487.1058 12.26211 4.439178 
15.64026 
1 1 1 5   2   1  o 142.5990 2.413666  4115.863       124.7524 3972.807       
142.6786 4580.274       257.0737 137.5488 2.470719 147.6492 4.147130 -10.10043 
4.827332 
1 1 1 5   2   2  o 196.1038 3.193528  8017.941       240.5485 7926.431       
286.3476 8237.372       443.4099 194.2576 3.511046 197.9499 5.335451 -3.692291 
6.387056 
1 1 1 5   2   3  o 203.7277 2.396302  8563.840       192.9492 9169.201       
340.5841 8277.718       234.1488 208.9174 3.883031 198.5380 2.809115 10.37941 
4.792604 
1 1 1 5   2   4  o 326.4135 5.310967  22663.77       623.5219 22888.55       
718.1655 21975.56       1256.623 329.9800 5.183917 322.8470 9.271058 7.133026 
10.62193 
1 1 1 5   2   5  o 371.1319 5.917038  29018.55       810.5536 29013.62       
1583.270 29020.30       943.5843 370.7955 10.17048 371.4682 6.050344 
-0.6727295     11.83408 
1 1 1 5   2   6  o 290.9909 5.899529  17802.69       710.8250 17627.33       
929.1392 18050.18       1103.787 289.3486 7.648573 292.6331 8.984269 -3.284546 
11.79906 
1 1 1 5   2   7  o 337.4113 7.154400  23954.85       1008.751 24708.61       
1510.656 23348.27       1355.157 342.1169 10.51749 332.7055 9.701764 9.411407 
14.30880 
1 1 1 5   2   8  o 179.8483 2.578981  6803.238       194.4787 7095.456       
272.5405 6500.075       277.5979 183.7920 3.532039 175.9046 3.758893 7.887390 
5.157962 
1 1 1 5   2   9  o 262.3371 5.344697  14490.12       588.6155 14673.70       
831.9272 14306.10       832.9298 264.0064 7.505713 260.6678 7.611005 3.338562 
10.68939 
1 1 1 5   2   10 f 192.1072 4.042565  7745.435       320.9137 7843.309       
501.6789 7677.646       417.5075 193.1044 6.188063 191.1100 5.203578 1.994446 
8.085131 
1 1 1 5   2   11 o 182.1558 3.237686  6994.273       216.7817 6928.753       
425.3578 7017.262       251.9592 181.5288 5.581231 182.7829 3.283339 -1.254120 
6.475372 
1 1 1 5   2   12 o 376.4832 6.850981  29439.81       944.6774 30861.38       
1888.601 28965.45       1090.965 381.9958 11.77613 370.9706 7.004744 11.02524 
13.70196 
1 1 1 5   2   13 o 490.0598 8.873216  50857.03       1627.044 50860.89       
3108.253 50855.57       1909.562 489.0963 15.13712 491.0233 9.263021 -1.927094 
17.74643 
1 1 1 5   2   14 o 155.7505 2.771070  5170.484       165.4368 4914.753       
300.0527 5282.181       198.3017 152.9137 4.673821 158.5873 2.978373 -5.673569 
5.542139 
1 1 1 5   2   15 o 333.8831 6.287636  23612.32       876.6803 22428.94       
1288.394 24632.64       1196.344 325.9612 9.414643 341.8051 8.336783 -15.84390 
12.57527 
1 1 1 5   2   16 o 244.2137 7.070648  12474.01       690.2600 13042.39       
1183.274 12180.82       849.8409 248.1386 11.35827 240.2888 8.424130 7.849762 
14.14130 
1 1 1 5   2   17 o 367.9012 10.09387  29074.50       1406.760 28439.35       
2615.890 29332.92       1668.579 363.7260 17.13035 372.0763 10.68159 -8.350220 
20.18775 
1 1 1 5   2   18 o 107.3689 3.306727  2285.791       131.6266 2724.912       
265.7684 2143.070       151.5143 113.7609 5.564565 100.9768 3.573987 12.78410 
6.613453 
1 1 1 5   2   19 o 54.59874 3.522594  582.4116       75.44955 756.7147       
139.7639 510.7245       89.63198 59.92826 5.555006 49.26922 4.333197 10.65904 
7.045188 
1 1 1 5   2   20 f 54.99353 3.614289  553.1909       77.73899 939.0443       
143.8379 393.9767       92.39594 66.74990 5.132675 43.23717 5.089988 23.51273 
7.228577 
1 1 1 5   2   21 o 46.55513 4.902006  539.1107       75.52701 338.3745       
144.5958 614.4259       88.56956 39.08739 8.992728 54.02288 3.905061 -14.93549 
9.804012 
1 1 1 5   2   22 o 96.19679 2.980155  1898.123       100.0270 2046.120       
216.0546 1857.746       112.8497 98.41059 5.229289 93.98299 2.860040 4.427605 
5.960310 
1 1 1 5   2   23 o 154.3821 3.320679  5206.699       188.7296 4666.131       
359.3354 5412.622       221.7824 148.4244 5.766546 160.3398 3.294631 -11.91542 
6.641359 
1 1 1 5   2   24 o 162.5799 4.258807  5595.191       251.7626 5618.424       
503.0824 5587.429       290.7958 162.4096 7.378167 162.7501 4.255865 
-0.3405151     8.517613 
1 1 1 5   2   25 o 159.9616 5.244098  5441.223       323.4752 5482.942       
588.2584 5423.140       387.2844 159.9258 8.761341 159.9974 5.765516 
-0.7153320E-01 10.48820 
1 1 1 5   2   26 o 55.75846 4.744235  657.3710       111.0596 0.000000       
0.000000 657.3710       111.0596 ?        ?        55.75846 4.744235 ? ? 
1 1 1 5   2   27 f 93.64076 4.334759  1779.505       137.2498 2026.563       
312.7245 1720.563       152.7470 97.05666 7.674634 90.22487 4.032435 6.831795 
8.669518 
1 1 1 5   2   28 o 89.40727 3.910071  1587.914       119.4485 1915.464       
271.7993 1509.509       132.9783 94.33439 6.862767 84.48015 3.749275 9.854240 
7.820143 
1 1 1 5   2   29 o 45.31493 5.287383  411.4231       85.74603 545.8605       
177.7424 370.6459       97.89014 49.04010 8.966351 41.58976 5.606265 7.450340 
10.57477 
1 1 1 5   2   30 o 67.56075 4.158930  926.1514       99.32764 1101.439       
214.4680 878.2864       112.0716 70.90341 7.204707 64.21809 4.156800 6.685326 
8.317860 
1 1 1 5   2   31 o 65.17022 4.132320  883.6895       98.06229 1009.944       
200.7898 844.1430       112.3756 67.54440 7.080654 62.79605 4.262465 4.748348 
8.264640 
1 1 1 5   2   32 f 74.07922 3.819239  1241.829       109.2438 1074.428       
189.0331 1325.773       133.8606 69.57018 6.471960 78.58826 4.057104 -9.018082 
7.638479 
1 1 1 5   2   33 o 43.70128 5.952749  521.4826       95.75628 300.6369       
171.0334 622.3131       115.5666 34.14494 10.72505 53.25763 5.168583 -19.11269 
11.90550 
1 1 1 5   2   34 o 52.22424 5.301716  658.4175       99.45129 601.2096       
184.3506 681.9008       118.1123 48.89046 9.316196 55.55803 5.063718 -6.667564 
10.60343 
1 1 1 5   2   35 o 40.73788 6.753082  421.5081       103.3804 475.6753       
201.5364 402.1655       120.4322 40.69329 11.36498 40.78246 7.297514 
-0.8916855E-01 13.50616 
1 1 1 5   2   36 o 25.40698 7.179695  140.8621       95.18990 212.6321       
228.4357 125.7811       104.7144 27.97420 11.67485 22.83976 8.360026 5.134441 
14.35939 
1 1 1 5   2   37 o 23.45589 6.886237  119.3660       94.47433 229.7374       
205.6158 89.82964       106.3669 26.71289 11.10777 20.19890 8.142390 6.513996 
13.77247 
1 1 1 5   3   0  o 286.6443 3.984920  17333.86       476.7513 17883.01       
646.4288 16678.92       705.9529 291.6674 5.279027 281.6214 5.970782 10.04599 
7.969841 
1 1 1 5   3   1  o 156.4321 2.200550  5154.026       142.3745 5227.068       
186.6994 5052.520       220.0919 157.7672 2.818690 155.0969 3.380040 2.670273 
4.401101 
1 1 1 5   3   2  o 178.0872 3.585421  6650.483       267.4442 6885.843       
394.4644 6450.254       363.8360 180.9907 5.191257 175.1836 4.946901 5.807098 
7.170843 
1 1 1 5   3   3  o 158.4645 2.917656  5191.700       159.0428 5130.582       
178.8134 5423.144       347.9675 156.3064 2.724861 160.6227 5.160039 -4.316254 
5.835312 
1 1 1 5   3   4  o 71.81093 2.139286  1085.131       64.23902 1057.228       
94.49945 1109.101       87.58900 70.94937 3.172501 72.67249 2.870785 -1.723114 
4.278571 
1 1 1 5   3   5  o 103.4772 2.493740  2241.066       105.4976 2284.217       
170.5211 2214.306       134.2815 104.2741 3.895137 102.6803 3.114944 1.593811 
4.987481 
1 1 1 5   3   6  o 158.1828 2.937902  5324.662       190.1726 5592.024       
246.6258 4932.535       298.6770 163.1610 3.600336 153.2046 4.643559 9.956421 
5.875803 
1 1 1 5   3   7  o 292.6387 4.046764  17867.65       418.3403 18265.28       
877.1400 17750.57       475.9613 294.5990 7.091837 290.6785 3.900136 3.920471 
8.093529 
1 1 1 5   3   8  o 128.7497 2.862004  3480.435       154.6533 3381.662       
215.6299 3585.065       221.9318 126.8698 4.048290 130.6297 4.046680 -3.759850 
5.724009 
1 1 1 5   3   9  o 146.3925 3.326325  4502.970       204.3690 4341.318       
286.9730 4669.320       291.1144 143.7254 4.755856 149.0598 4.651836 -5.334396 
6.652650 
1 1 1 5   3   10 o 169.3796 3.716724  6010.317       262.5348 5860.147       
349.6248 6204.461       397.5324 166.9742 4.987396 171.7849 5.511991 -4.810730 
7.433448 
1 1 1 5   3   11 o 243.1240 4.329593  12395.74       372.2364 12501.03       
776.6581 12364.34       424.1226 243.6637 7.592069 242.5844 4.164373 1.079285 
8.659186 
1 1 1 5   3   12 o 217.2921 3.487216  10058.44       263.4169 9685.324       
556.5158 10166.16       299.0370 214.5795 6.177466 220.0047 3.237532 -5.425186 
6.974432 
1 1 1 5   3   13 f 334.9532 6.358226  23441.20       813.9033 24178.45       
1514.139 23141.62       965.2081 338.3209 10.66002 331.5856 6.933402 6.735291 
12.71645 
1 1 1 5   3   14 o 220.5487 3.322977  10363.62       292.2446 9765.596       
490.6966 10692.34       363.8037 215.5040 5.423489 225.5934 3.841155 -10.08943 
6.645954 
1 1 1 5   3   15 o 233.7862 3.646135  11356.44       344.4110 11010.75       
428.9112 11983.96       577.8771 228.8847 4.463460 238.6877 5.766690 -9.802933 
7.292269 
1 1 1 5   3   16 o 188.0011 7.843064  7450.257       619.0491 7450.257       
619.0491 0.000000       0.000000 188.0011 7.843064 ?        ?        ? ? 
1 1 1 5   3   17 o 359.7078 8.789188  27491.47       1021.679 27475.73       
2394.867 27494.98       1129.633 358.2806 15.92132 361.1349 7.450560 -2.854340 
17.57838 
1 1 1 5   3   18 o 172.0369 4.499964  6085.465       279.4592 6532.583       
574.3228 5946.760       319.8824 175.9200 7.776100 168.1538 4.531112 7.766251 
8.999928 
1 1 1 5   3   19 o 362.2781 6.280869  27882.54       919.6094 27464.58       
1515.901 28125.92       1156.778 359.6821 10.03860 364.8741 7.551409 -5.191986 
12.56174 
1 1 1 5   3   20 o 127.8397 2.701339  3424.859       143.5891 3528.098       
220.2466 3348.542       189.3655 129.4927 4.051210 126.1867 3.574441 3.306000 
5.402678 
1 1 1 5   3   21 o 83.65252 2.878251  1555.434       93.88465 1224.516       
155.6578 1744.653       117.7046 76.21620 4.864573 91.08884 3.077863 -14.87263 
5.756502 
1 1 1 5   3   22 o 67.80016 3.121873  956.2311       79.37675 997.8379       
152.7881 940.8498       92.89729 68.73329 5.294724 66.86701 3.309117 1.866280 
6.243746 
1 1 1 5   3   23 o 100.7299 3.123265  2178.413       119.2551 2052.153       
219.7339 2231.132       141.9856 98.51005 5.312972 102.9497 3.285036 -4.439651 
6.246530 
1 1 1 5   3   24 o 18.56157 5.459445  25.91798       62.37759 -3.347213      
129.1477 34.82230       71.23791 20.05105 8.588999 17.07209 6.741754 2.978956 
10.91889 
1 1 1 5   3   25 o 163.7600 4.183118  5664.903       238.9336 5715.187       
507.5342 5650.585       270.8218 163.7970 7.380407 163.7231 3.939987 
0.7395935E-01  8.366237 
1 1 1 5   3   26 o 55.95609 3.704591  609.8444       77.70580 782.6765       
156.1546 552.9606       89.58529 60.72101 6.125436 51.19117 4.168336 9.529839 
7.409183 
1 1 1 5   3   27 o 183.8915 5.984831  7367.118       404.1301 7134.319       
785.6677 7450.874       471.2537 180.6715 10.35787 187.1115 5.998953 -6.439941 
11.96966 
1 1 1 5   3   28 o 58.97534 5.652916  872.8425       98.99828 600.0812       
220.0068 942.0931       110.8554 51.21824 10.59084 66.73244 3.956772 -15.51421 
11.30583 
1 1 1 5   3   29 o 100.9642 4.010869  2186.012       153.3192 2172.374       
286.4004 2191.491       181.5197 100.3159 6.800252 101.6126 4.254978 -1.296669 
8.021737 
1 1 1 5   3   30 f 65.24576 3.817815  890.5656       94.70096 968.8137       
179.5540 860.4105       111.4650 66.89373 6.393382 63.59779 4.174626 3.295940 
7.635629 
1 1 1 5   3   31 o 24.55079 6.010314  129.7701       81.07044 -30.71195      
161.6049 183.7392       93.71593 20.82121 9.238066 28.28036 7.691138 -7.459145 
12.02063 
1 1 1 5   3   32 o 82.17422 3.820478  1606.931       115.3803 1143.916       
202.9980 1827.896       140.2348 71.79169 6.735014 92.55676 3.608850 -20.76506 
7.640956 
1 1 1 5   3   33 o 25.10403 6.536162  125.7394       82.69739 161.5246       
160.6615 112.8407       96.45674 27.33721 10.29376 22.87086 8.057559 4.466349 
13.07232 
1 1 1 5   3   34 o 41.46386 6.227763  407.8341       92.34752 446.9110       
191.2998 395.9610       105.4478 40.90862 10.92753 42.01910 5.977393 -1.110477 
12.45553 
1 1 1 5   3   35 o 20.32476 6.222687  40.85570       89.45589 -50.68918      
192.9975 65.90471       100.9555 20.78984 9.564593 19.85968 7.962782 0.9301529 
12.44537 
1 1 1 5   3   36 o 21.60774 6.327441  83.01550       92.50174 -65.33153      
200.5865 123.0852       104.2486 20.36492 9.514734 22.85056 8.343612 -2.485636 
12.65488 
1 1 1 5   3   37 o 17.18464 5.564207  -30.90705      93.51464 -341.2468      
207.5755 48.11781       104.7464 15.94472 7.929563 18.42457 7.807920 -2.479857 
11.12841 
1 1 1 5   3   38 f 24.29537 6.835483  176.9053       106.3876 59.01168       
231.0714 208.6186       119.8455 22.10749 10.28355 26.48325 9.007988 -4.375755 
13.67097 
1 1 1 5   4   0  o 124.8189 2.288365  3258.190       119.4077 3130.104       
160.3858 3417.475       178.8562 122.0806 3.129250 127.5572 3.339797 -5.476570 
4.576729 
1 1 1 5   4   1  o 262.8630 3.484346  14474.44       347.5587 14635.27       
651.4719 14410.45       410.9223 263.8114 5.881976 261.9147 3.736981 1.896637 
6.968692 
1 1 1 5   4   2  o 89.43657 1.928823  1563.454       68.79256 2062.123       
123.0195 1336.570       82.97932 99.09142 2.957053 79.78172 2.477351 19.30970 
3.857645 
1 1 1 5   4   3  o 88.05000 1.983577  1537.770       69.52751 1366.186       
83.93206 1912.999       124.1189 80.66080 2.478486 95.43919 3.097649 -14.77838 
3.967155 
1 1 1 5   4   4  o 246.4477 3.944910  12748.30       366.8078 12720.76       
432.3012 12819.12       693.1437 246.0585 4.184746 246.8369 6.688585 
-0.7784424     7.889821 
1 1 1 5   4   5  o 139.9232 2.901454  4079.023       166.2215 4265.659       
269.1397 3963.935       211.3460 142.4770 4.499395 137.3695 3.664586 5.107498 
5.802909 
1 1 1 5   4   6  o 174.8129 2.201211  6311.582       152.8131 6101.549       
186.3467 6742.823       267.0175 170.4592 2.603888 179.1665 3.549801 -8.707306 
4.402422 
1 1 1 5   4   7  o 171.3039 3.411030  6169.235       243.3250 6152.602       
368.0799 6182.146       324.2916 171.0857 5.124475 171.5221 4.503359 
-0.4364319     6.822059 
1 1 1 5   4   8  o 78.86577 2.409395  1313.676       79.25718 1153.985       
113.0004 1468.304       111.1946 74.11890 3.631382 83.61263 3.167619 -9.493736 
4.818791 
1 1 1 5   4   9  o 76.64452 2.509268  1231.648       80.20672 1253.349       
121.0730 1214.675       107.0719 77.24241 3.733470 76.04662 3.353641 1.195786 
5.018537 
1 1 1 5   4   10 o 87.07201 1.991346  1596.348       68.10728 1580.238       
119.4390 1604.110       82.90726 86.73924 3.279831 87.40478 2.259324 
-0.6655350     3.982692 
1 1 1 5   4   11 o 315.5936 4.869192  21071.99       532.3870 20760.37       
1136.427 21159.62       602.6042 313.8680 8.624137 317.3192 4.523315 -3.451172 
9.738384 
1 1 1 5   4   12 o 215.5589 2.736373  9752.922       246.5833 9855.688       
366.9217 9668.285       332.9860 216.5859 4.035192 214.5318 3.697049 2.054077 
5.472746 
1 1 1 5   4   13 o 257.0925 4.874083  13839.26       483.7479 14093.69       
881.7887 13729.72       578.5864 258.6444 8.120494 255.5406 5.392986 3.103836 
9.748165 
1 1 1 5   4   14 o 249.0820 4.519926  13182.12       448.1097 12644.58       
758.9518 13469.80       555.2184 245.0492 7.377037 253.1148 5.224773 -8.065582 
9.039852 
1 1 1 5   4   15 o 313.2868 8.248275  20655.04       984.7087 21056.81       
1834.644 20492.46       1167.057 314.8812 13.87798 311.6924 8.918397 3.188812 
16.49655 
1 1 1 5   4   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   4   17 o 278.8620 6.065358  16305.69       696.1822 16949.36       
1108.368 15886.27       894.6970 283.2405 9.320724 274.4836 7.763913 8.756897 
12.13072 
1 1 1 5   4   18 o 113.2799 3.178013  2747.091       141.3222 2558.283       
244.0557 2842.336       173.3404 110.2612 5.272143 116.2985 3.550150 -6.037262 
6.356025 
1 1 1 5   4   19 o 114.7691 3.499406  2741.292       156.3349 2854.448       
282.2480 2691.211       187.7698 116.4049 5.775381 113.1333 3.953269 3.271584 
6.998811 
1 1 1 5   4   20 o 238.8193 5.762577  11999.82       548.7324 12324.72       
941.6628 11832.76       675.2234 240.9359 9.309258 236.7027 6.794623 4.233185 
11.52515 
1 1 1 5   4   21 o 298.6868 4.790112  18004.41       485.3081 20367.97       
1101.202 17434.71       540.6425 309.6583 8.470428 287.7154 4.475774 21.94287 
9.580225 
1 1 1 5   4   22 f 154.7405 4.029995  5118.716       227.2673 4941.129       
448.2903 5180.147       263.6614 152.6517 6.994857 156.8293 4.004426 -4.177673 
8.059991 
1 1 1 5   4   23 o 90.36946 3.048402  1740.793       105.2239 1677.283       
192.5831 1767.822       125.6350 89.09251 5.148706 91.64641 3.265249 -2.553894 
6.096805 
1 1 1 5   4   24 o 158.2172 3.882621  5124.914       203.4222 5585.485       
472.3645 5020.050       225.3935 162.0483 6.943105 154.3861 3.477396 7.662216 
7.765243 
1 1 1 5   4   25 o 49.11011 4.987837  638.2598       78.25855 323.3968       
147.1747 762.3810       92.40501 38.06408 9.280484 60.15614 3.658782 -22.09206 
9.975675 
1 1 1 5   4   26 o 140.3421 3.764787  4277.347       198.6071 3917.552       
367.9576 4425.261       235.9254 135.8030 6.453708 144.8811 3.878679 -9.078125 
7.529575 
1 1 1 5   4   27 o 57.35984 3.981237  730.4230       85.37408 625.2188       
156.3756 775.0967       101.9009 54.12554 6.881576 60.59415 4.005609 -6.468613 
7.962474 
1 1 1 5   4   28 o 54.95086 4.924939  658.5930       97.53902 626.6083       
194.2315 669.3792       112.7927 53.72715 8.610867 56.17457 4.782581 -2.447422 
9.849878 
1 1 1 5   4   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   4   30 o 46.60757 5.531371  536.9158       90.44696 371.2753       
166.5670 606.1783       107.7098 39.91528 9.960705 53.29986 4.813380 -13.38458 
11.06274 
1 1 1 5   4   31 o 63.38937 4.328399  911.6302       102.6702 778.9476       
186.7489 969.1066       122.9125 59.41230 7.486912 67.36643 4.345838 -7.954136 
8.656798 
1 1 1 5   4   32 o 47.07289 4.901038  462.5311       87.56004 561.9154       
169.8801 426.5771       102.1780 49.84512 8.117849 44.30066 5.493744 5.544464 
9.802076 
1 1 1 5   4   33 o 157.3989 4.489025  5351.981       246.9657 5798.174       
527.2593 5226.575       279.5249 159.0810 7.894546 155.7168 4.275689 3.364136 
8.978049 
1 1 1 5   4   34 o 21.55178 6.721434  4.944543       98.08533 88.75240       
213.2741 -17.53673      110.4603 25.94699 11.07345 17.15657 7.621645 8.790426 
13.44287 
1 1 1 5   4   35 o 37.61800 6.876118  388.5002       98.84904 300.6827       
228.7992 408.6533       109.6061 32.81486 12.29835 42.42114 6.154225 -9.606277 
13.75224 
1 1 1 5   4   36 o 33.55853 6.895706  326.9420       97.47169 219.7276       
231.6667 350.0039       107.4446 29.01048 11.89721 38.10657 6.975640 -9.096088 
13.79141 
1 1 1 5   4   37 o 44.12402 6.973926  589.8987       106.4541 470.7192       
245.3461 617.5399       118.1558 36.40388 12.84813 51.84416 5.428456 -15.44028 
13.94785 
1 1 1 5   4   38 o 22.13753 6.712861  113.0710       111.8994 -15.49756      
232.7011 151.7435       127.6238 20.89866 9.894244 23.37640 9.074906 -2.477741 
13.42572 
1 1 1 5   5   0  o 213.1041 2.983344  9527.904       266.1788 9364.594       
361.8328 9720.518       392.9579 211.1230 4.082191 215.0853 4.351675 -3.962250 
5.966687 
1 1 1 5   5   1  o 371.5016 4.171322  28669.21       532.9601 28410.74       
599.5939 29642.05       1163.256 367.7477 3.883545 375.2555 7.383616 -7.507843 
8.342645 
1 1 1 5   5   2  o 265.8616 3.311953  14860.22       368.3537 14928.27       
500.8412 14780.04       543.6495 266.5378 4.475714 265.1854 4.883042 1.352417 
6.623905 
1 1 1 5   5   3  o 82.87073 2.057598  1436.936       71.44483 1358.089       
97.36205 1528.928       105.1650 80.41696 2.883786 85.32450 2.935746 -4.907539 
4.115195 
1 1 1 5   5   4  o 209.9198 3.216607  9233.786       282.5660 8954.091       
382.1453 9571.171       419.7083 206.4292 4.409389 213.4103 4.684392 -6.981049 
6.433214 
1 1 1 5   5   5  f 178.2544 3.434462  6689.792       248.7376 6631.313       
405.7625 6724.997       314.8286 177.6019 5.441834 178.9069 4.191487 -1.304993 
6.868925 
1 1 1 5   5   6  o 168.4226 3.296126  5974.643       232.5203 6243.662       
322.9767 5685.186       335.0208 172.3751 4.462905 164.4702 4.851831 7.904938 
6.592252 
1 1 1 5   5   7  o 203.1673 3.348057  8624.188       284.3967 9214.339       
426.4163 8151.356       381.6864 209.3855 4.850743 196.9491 4.616084 12.43636 
6.696114 
1 1 1 5   5   8  o 85.85602 2.669813  1513.692       94.37531 1722.464       
152.3835 1383.786       120.2030 90.54652 4.008550 81.16552 3.527483 9.380997 
5.339626 
1 1 1 5   5   9  o 176.3541 3.111562  6452.142       181.5983 6670.520       
417.4062 6401.157       201.6863 178.1178 5.581779 174.5903 2.751549 3.527496 
6.223125 
1 1 1 5   5   10 o 90.19669 2.323407  1767.362       85.02053 1373.708       
127.7664 2080.202       113.8993 80.86552 3.763347 99.52785 2.725821 -18.66232 
4.646814 
1 1 1 5   5   11 o 158.4012 3.226530  5130.417       195.0670 5613.559       
368.8341 4942.800       229.8422 163.4052 5.376334 153.3971 3.568895 10.00812 
6.453059 
1 1 1 5   5   12 f 269.9190 4.622613  15208.98       463.6319 15586.21       
901.9169 15073.50       540.5153 272.0352 7.897007 267.8028 4.807440 4.232330 
9.245226 
1 1 1 5   5   13 o 276.8115 4.976354  15939.96       523.9395 16573.54       
984.7148 15689.77       618.8027 280.4494 8.363287 273.1735 5.395538 7.275970 
9.952708 
1 1 1 5   5   14 o 182.0099 3.514244  6760.364       203.7403 7279.519       
496.7604 6655.375       223.3938 186.0067 6.361205 178.0130 2.989100 7.993729 
7.028488 
1 1 1 5   5   15 o 357.0403 7.761744  26731.68       1005.738 27397.27       
2026.673 26514.21       1158.446 359.3263 13.43432 354.7543 7.778019 4.571960 
15.52349 
1 1 1 5   5   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   5   17 f 167.2886 4.065288  5780.000       269.0185 6209.877       
474.3221 5576.144       326.6355 171.7280 6.578902 162.8492 4.777478 8.878723 
8.130575 
1 1 1 5   5   18 o 309.5388 5.463325  20130.21       686.7895 20543.54       
1129.334 19887.63       865.1570 311.8593 8.625506 307.2182 6.707629 4.641113 
10.92665 
1 1 1 5   5   19 o 290.5139 5.067763  17966.72       605.4771 16968.37       
942.5560 18668.13       790.0397 283.4156 7.921446 297.6123 6.322941 -14.19672 
10.13553 
1 1 1 5   5   20 o 154.4913 3.959269  5020.031       223.9357 5049.824       
443.5717 5009.840       259.4223 154.6513 6.831740 154.3312 4.003820 0.3200684 
7.918539 
1 1 1 5   5   21 o 99.55228 2.828106  2075.652       111.6971 2116.035       
193.4403 2055.452       136.8092 100.2354 4.596707 98.86917 3.295911 1.366226 
5.656213 
1 1 1 5   5   22 o 119.1801 3.371416  2932.222       145.9580 3120.729       
296.5394 2871.952       167.6754 121.5266 5.812085 116.8336 3.418399 4.693062 
6.742832 
1 1 1 5   5   23 o 122.8508 2.774873  3219.026       133.0654 3071.874       
233.7696 3289.557       161.8430 120.6616 4.614665 125.0400 3.082946 -4.378418 
5.549747 
1 1 1 5   5   24 o 23.13907 5.775544  102.6794       65.05361 64.54763       
131.4004 115.0602       74.87341 23.08425 9.143465 23.19390 7.058659 
-0.1096516     11.55109 
1 1 1 5   5   25 o 49.76653 4.178864  529.1756       74.39655 516.3375       
151.1672 533.2790       85.46298 49.24154 7.312184 50.29153 4.047662 -1.049984 
8.357727 
1 1 1 5   5   26 o 213.0111 3.593679  9039.135       252.6573 10512.29       
598.2927 8719.400       278.7306 222.5163 6.404319 203.5060 3.262334 19.01033 
7.187359 
1 1 1 5   5   27 o 116.3923 3.086532  2821.779       137.6899 2958.994       
255.8320 2765.825       163.3691 118.2145 5.154719 114.5700 3.396409 3.644501 
6.173065 
1 1 1 5   5   28 o 52.29110 4.206315  569.2584       81.65137 611.7095       
160.5739 554.4538       94.82616 53.40084 7.162223 51.18137 4.413035 2.219471 
8.412629 
1 1 1 5   5   29 o 179.7580 5.372854  6995.923       317.3143 6989.849       
724.5929 6997.364       352.9583 177.9937 9.696400 181.5223 4.631423 -3.528610 
10.74571 
1 1 1 5   5   30 o 58.58158 4.907922  731.9485       120.7085 0.000000       
0.000000 731.9485       120.7085 ?        ?        58.58158 4.907922 ? ? 
1 1 1 5   5   31 o 114.4875 4.026602  2663.830       168.1620 3167.292       
346.8748 2509.152       192.2665 120.4598 6.858856 108.5152 4.220212 11.94460 
8.053205 
1 1 1 5   5   32 o 91.19678 3.837689  1851.229       133.3748 1676.646       
239.7367 1929.487       160.5076 87.35644 6.536733 95.03712 4.022754 -7.680687 
7.675378 
1 1 1 5   5   33 o 24.47966 6.415715  59.12094       83.37283 254.7457       
164.8854 -8.075248      96.63682 32.32089 10.56594 16.63842 7.280562 15.68247 
12.83143 
1 1 1 5   5   34 o 64.78081 4.619531  939.0406       108.7134 953.8987       
215.7328 933.9833       125.8626 64.00907 8.027784 65.55255 4.573285 -1.543480 
9.239061 
1 1 1 5   5   35 o 58.41170 5.630877  890.8230       108.7887 645.3652       
208.2006 983.0082       127.5922 49.78502 10.30901 67.03838 4.533376 -17.25336 
11.26175 
1 1 1 5   5   36 o 24.13658 6.311807  137.0169       93.32835 -75.67986      
196.4157 199.0421       106.0669 20.25347 9.444263 28.01969 8.376248 -7.766212 
12.62361 
1 1 1 5   5   37 o 68.78944 4.642162  1056.740       134.0667 0.000000       
0.000000 1056.740       134.0667 ?        ?        68.78944 4.642162 ? ? 
1 1 1 5   5   38 o 17.67779 5.816992  -34.36174      104.3338 -202.4780      
202.4869 26.40567       121.7383 17.17176 8.399950 18.18382 8.049249 -1.012056 
11.63398 
1 1 1 5   6   0  o 264.6085 2.799718  14673.03       309.8436 15112.64       
461.4940 14312.23       418.0851 268.2005 4.098524 261.0164 3.815205 7.184082 
5.599437 
1 1 1 5   6   1  o 204.8356 2.318393  8707.618       190.7471 8463.981       
235.8746 9168.061       324.2625 200.7595 2.798506 208.9118 3.697047 -8.152237 
4.636786 
1 1 1 5   6   2  o 77.21779 2.033504  1256.607       65.65675 1316.194       
90.29617 1189.760       95.63935 79.16873 2.716669 75.26685 3.026593 3.901886 
4.067008 
1 1 1 5   6   3  o 197.7745 3.025793  8279.366       238.2481 8414.649       
294.8118 8024.689       404.4989 200.1508 3.508396 195.3982 4.930805 4.752563 
6.051585 
1 1 1 5   6   4  o 205.9585 2.334815  8904.930       201.5885 8829.716       
277.0903 8989.502       293.8232 205.0379 3.218906 206.8791 3.382911 -1.841171 
4.669630 
1 1 1 5   6   5  o 140.3845 2.121647  4134.746       124.8964 4058.789       
171.8269 4219.833       181.8603 139.0201 2.943978 141.7489 3.055901 -2.728745 
4.243293 
1 1 1 5   6   6  o 68.65376 2.296910  990.3372       65.77307 993.4081       
88.20105 986.4901       98.71949 68.77584 3.054632 68.53167 3.431094 0.2441711 
4.593820 
1 1 1 5   6   7  o 311.5173 5.059619  20122.36       484.8361 20871.63       
1223.307 19982.73       528.0822 314.6320 9.260914 308.4027 4.078537 6.229248 
10.11924 
1 1 1 5   6   8  o 202.9046 3.482647  8544.483       233.8725 8830.515       
537.4316 8477.664       259.7574 204.8963 6.247557 200.9130 3.079506 3.983292 
6.965294 
1 1 1 5   6   9  o 223.7311 3.653003  10508.03       277.3394 10545.75       
612.0065 10498.29       311.1184 223.8930 6.510834 223.5691 3.314629 0.3238525 
7.306006 
1 1 1 5   6   10 o 83.82545 2.165132  1492.072       70.22415 1433.359       
125.6453 1518.745       84.68600 82.60478 3.622948 85.04613 2.371800 -2.441353 
4.330264 
1 1 1 5   6   11 o 175.9658 3.614680  6265.051       225.7628 6968.822       
479.6465 6064.761       255.8796 182.0149 6.276759 169.9166 3.586914 12.09828 
7.229361 
1 1 1 5   6   12 o 274.5147 4.820018  15753.97       513.4050 16131.01       
928.6136 15587.98       616.1360 276.7376 7.992599 272.2918 5.389681 4.445801 
9.640037 
1 1 1 5   6   13 o 112.4937 2.025838  2666.785       92.34100 2622.500       
151.3372 2693.052       116.5521 111.7403 3.225943 113.2470 2.451401 -1.506653 
4.051676 
1 1 1 5   6   14 o 246.9810 4.380757  12847.19       435.8140 12781.13       
726.2672 12884.36       544.8052 246.4082 7.020407 247.5537 5.241949 -1.145523 
8.761515 
1 1 1 5   6   15 o 53.92705 3.844858  633.7357       78.59985 558.6957       
142.2231 666.7329       94.31088 51.52334 6.574869 56.33076 3.987836 -4.807419 
7.689717 
1 1 1 5   6   16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   6   17 o 443.2057 9.833301  41824.99       1775.094 41687.81       
2878.966 41909.13       2254.669 441.8849 15.51846 444.5265 12.08109 -2.641632 
19.66660 
1 1 1 5   6   18 o 198.9238 3.474168  8273.316       261.9384 8438.800       
492.9589 8208.212       309.2009 200.2179 5.864470 197.6297 3.726574 2.588257 
6.948336 
1 1 1 5   6   19 o 177.6726 4.400856  6657.282       272.7624 6641.551       
578.3644 6661.780       309.3220 177.3505 7.767659 177.9947 4.139279 
-0.6441650     8.801713 
1 1 1 5   6   20 o 65.49275 3.168233  878.7838       75.97894 951.3741       
153.1712 855.0936       87.50307 67.20254 5.428910 63.78297 3.267681 3.419571 
6.336466 
1 1 1 5   6   21 o 51.10725 3.849988  532.5023       68.59916 583.8104       
148.9150 518.6815       77.28814 52.55760 6.748759 49.65689 3.707272 2.900715 
7.699975 
1 1 1 5   6   22 o 147.7956 3.565051  4676.361       189.0659 4473.142       
380.8554 4742.820       217.7979 145.4469 6.237012 150.1442 3.455144 -4.697266 
7.130101 
1 1 1 5   6   23 o 155.5639 2.975922  5082.806       177.4606 5145.165       
326.9405 5056.760       211.2959 156.1095 4.988389 155.0184 3.246602 1.091156 
5.951845 
1 1 1 5   6   24 o 238.2445 5.234293  11775.32       407.3107 12600.75       
957.2488 11592.84       450.0880 242.1440 9.416124 234.3450 4.574701 7.798950 
10.46859 
1 1 1 5   6   25 o 55.54359 4.022799  658.8481       79.78562 642.6387       
162.5538 663.9924       91.57523 54.96065 7.044763 56.12654 3.886251 -1.165894 
8.045597 
1 1 1 5   6   26 o 220.5878 5.411931  10344.50       402.9407 10433.48       
893.6557 10321.79       451.4341 220.1450 9.669019 221.0306 4.864778 
-0.8855438     10.82386 
1 1 1 5   6   27 o 67.50163 3.779232  1032.318       91.77365 830.5348       
175.1788 1108.648       107.7423 62.47076 6.679219 72.53251 3.538136 -10.06174 
7.558464 
1 1 1 5   6   28 o 185.0341 4.628587  7066.405       293.7318 7742.134       
650.5081 6893.344       329.2036 189.5336 8.174996 180.5347 4.343351 8.998901 
9.257174 
1 1 1 5   6   29 o 73.89059 3.468461  1136.315       93.00859 1208.543       
188.9498 1113.217       106.8500 75.18752 5.985792 72.59365 3.505878 2.593872 
6.936922 
1 1 1 5   6   30 o 29.09074 6.234238  168.5180       73.49184 237.6094       
150.5360 146.8978       84.20902 32.48366 10.03375 25.69781 7.401810 6.785843 
12.46848 
1 1 1 5   6   31 o 77.80590 3.900831  1335.639       118.6266 1201.129       
203.7607 1404.605       145.9021 74.39908 6.523397 81.21272 4.279161 -6.813644 
7.801662 
1 1 1 5   6   32 o 75.25786 4.148342  1308.509       119.1349 1015.304       
203.0705 1462.384       147.1114 67.80547 7.133509 82.71025 4.236509 -14.90479 
8.296684 
1 1 1 5   6   33 o 59.49702 4.838152  813.6046       112.0627 708.9024       
190.8193 868.7255       138.4532 55.76624 8.150272 63.22780 5.215739 -7.461559 
9.676305 
1 1 1 5   6   34 o 51.50556 6.203910  709.7621       109.5278 468.6311       
204.9923 806.1031       129.5737 42.28758 11.31909 60.72355 5.082539 -18.43596 
12.40782 
1 1 1 5   6   35 o 47.58044 6.463081  588.8401       108.9835 491.2427       
211.7900 623.9914       127.1032 42.29848 11.58821 52.86240 5.727046 -10.56392 
12.92616 
1 1 1 5   6   36 o 53.00027 5.453861  574.4023       103.1723 881.4918       
228.3555 495.6387       115.6490 59.25915 9.178615 46.74138 5.893336 12.51777 
10.90772 
1 1 1 5   6   37 f 24.33673 6.203789  138.5681       98.72025 -122.3700      
187.8421 238.1422       116.0373 18.61018 8.847960 30.06327 8.698368 -11.45309 
12.40758 
1 1 1 5   6   38 f 26.36417 6.776095  211.5545       111.2331 -31.94167      
238.7578 279.0553       125.7089 21.39418 10.08797 31.33417 9.049575 -9.939997 
13.55219 
1 1 1 5   7   0  o 144.7366 1.920111  4399.128       116.6306 4398.006       
162.6634 4400.313       167.3162 144.7184 2.677238 144.7548 2.753125 
-0.3642273E-01 3.840221 
1 1 1 5   7   1  o 15.94921 3.185274  50.49802       24.91606 89.26141       
35.60609 13.30279       34.87844 20.21969 4.320811 11.67872 4.681290 8.540970 
6.370548 
1 1 1 5   7   2  o 81.67871 2.070876  1400.305       70.98324 1376.704       
98.66132 1425.631       102.2033 80.96596 2.902455 82.39146 2.954634 -1.425507 
4.141752 
1 1 1 5   7   3  o 17.02802 3.593525  55.64164       31.13081 100.2129       
43.81610 10.20755       44.23815 21.40933 4.966715 12.64671 5.194751 8.762626 
7.187050 
1 1 1 5   7   4  o 154.6276 2.344198  5002.487       147.3130 5098.581       
241.8133 4945.778       185.7632 155.7932 3.697027 153.4619 2.883235 2.331329 
4.688396 
1 1 1 5   7   5  o 244.7844 3.362164  12288.08       291.0151 12037.68       
330.1460 13160.51       616.2537 239.4017 3.284731 250.1671 5.867465 -10.76538 
6.724329 
1 1 1 5   7   6  o 291.6000 5.170535  17922.63       628.7374 18116.14       
844.2150 17681.60       942.1650 293.4183 6.853097 289.7817 7.744209 3.636597 
10.34107 
1 1 1 5   7   7  o 194.5708 3.429170  7974.949       254.8352 7912.309       
470.2511 8000.994       303.2183 193.9797 5.774236 195.1619 3.700679 -1.182205 
6.858339 
1 1 1 5   7   8  o 150.2904 2.675287  4850.159       156.0445 4463.407       
274.4099 5034.991       189.7022 145.7419 4.484731 154.8388 2.918190 -9.096924 
5.350574 
1 1 1 5   7   9  o 165.8621 2.124882  5672.242       135.0275 6034.170       
252.0726 5526.598       159.9041 169.4898 3.542445 162.2343 2.347675 7.255524 
4.249764 
1 1 1 5   7   10 o 89.89071 2.010524  1713.896       71.48103 1645.658       
122.6932 1748.958       87.94859 88.51610 3.301561 91.26532 2.295325 -2.749222 
4.021047 
1 1 1 5   7   11 o 243.5241 3.595149  12430.88       366.9182 11467.68       
505.2531 13505.68       533.7177 233.5664 5.152519 253.4819 5.015171 -19.91542 
7.190299 
1 1 1 5   7   12 o 31.74731 4.046813  256.4749       46.49126 126.7696       
80.83537 320.5853       56.83123 24.42779 7.314419 39.06683 3.464974 -14.63904 
8.093625 
1 1 1 5   7   13 o 173.5117 3.261722  6294.752       213.7185 6401.459       
404.4121 6253.404       251.7433 174.4831 5.520671 172.5403 3.475270 1.942841 
6.523444 
1 1 1 5   7   14 o 86.60908 1.859735  1574.370       67.60239 1626.780       
96.82551 1524.523       94.42799 88.01477 2.620326 85.20338 2.639763 2.811386 
3.719470 
1 1 1 5   7   15 o 320.0890 4.606421  21561.48       619.0252 21697.55       
877.5798 21426.74       873.3035 321.0946 6.509906 319.0833 6.519018 2.011230 
9.212842 
1 1 1 5   7   16 o 270.1891 4.405410  14947.97       462.4062 16448.94       
848.3355 14313.53       551.5423 279.4630 7.230434 260.9152 5.035013 18.54785 
8.810820 
1 1 1 5   7   17 o 373.9672 6.263899  29497.41       981.5302 29184.88       
1343.397 29855.29       1437.570 371.9020 8.603929 376.0325 9.105939 -4.130463 
12.52780 
1 1 1 5   7   18 o 233.8918 3.056011  11323.59       272.0991 11921.11       
512.2429 11088.72       321.1549 238.0519 5.125371 229.7318 3.329772 8.320145 
6.112022 
1 1 1 5   7   19 o 88.84948 2.198542  1662.211       81.76211 1605.784       
119.1555 1712.419       112.3983 87.41775 3.246652 90.28121 2.965400 -2.863464 
4.397084 
1 1 1 5   7   20 o 128.1543 2.440688  3446.456       129.7265 3490.090       
200.2022 3414.875       170.3210 128.8390 3.701199 127.4696 3.182603 1.369392 
4.881376 
1 1 1 5   7   21 o 178.7403 2.894150  6760.247       214.9155 6438.106       
323.9358 7013.529       287.2359 174.8804 4.412034 182.6002 3.746783 -7.719803 
5.788301 
1 1 1 5   7   22 o 140.4337 1.861023  4094.096       104.5987 4312.104       
179.2278 3981.490       128.8105 143.2090 2.980959 137.6584 2.228792 5.550629 
3.722047 
1 1 1 5   7   23 o 106.8744 2.112767  2404.624       94.71194 2306.897       
134.7483 2500.049       133.1518 104.7208 3.064865 109.0281 2.908908 -4.307266 
4.225534 
1 1 1 5   7   24 f 110.5644 2.153828  2549.730       99.17902 2745.434       
152.1194 2405.033       130.8025 114.2106 3.172482 106.9181 2.913975 7.292526 
4.307655 
1 1 1 5   7   25 o 216.8235 4.563895  9802.305       357.3468 10336.40       
729.9181 9633.939       409.8186 220.0283 7.901630 213.6187 4.569551 6.409592 
9.127789 
1 1 1 5   7   26 o 132.8230 3.147921  3581.120       147.1976 3987.493       
316.2588 3468.744       166.3095 137.2648 5.487880 128.3813 3.085578 8.883499 
6.295841 
1 1 1 5   7   27 o 100.1361 3.080233  2173.450       115.9592 1987.311       
214.7844 2250.025       137.7616 96.89679 5.279763 103.3754 3.174184 -6.478622 
6.160466 
1 1 1 5   7   28 o 51.07233 4.495908  582.9297       82.19742 502.9085       
161.1043 611.0916       95.57302 48.37247 7.932861 53.77218 4.233492 -5.399712 
8.991816 
1 1 1 5   7   29 f 40.55817 5.043244  243.1059       76.64625 741.6862       
161.6830 98.58414       87.04889 58.82745 6.546443 22.28889 7.673417 36.53856 
10.08649 
1 1 1 5   7   30 o 45.73756 5.128595  486.5798       79.37249 411.1524       
160.1243 511.1504       91.39054 42.41953 9.247647 49.05560 4.437453 -6.636074 
10.25719 
1 1 1 5   7   31 o 31.83290 6.103632  217.4793       74.71676 259.5147       
152.7747 204.2643       85.66004 33.57497 10.05597 30.09082 6.920609 3.484156 
12.20726 
1 1 1 5   7   32 f 33.75899 6.589950  237.5688       89.86548 361.0998       
168.8459 188.7455       106.1490 38.84735 10.21596 28.67063 8.327295 10.17673 
13.17990 
1 1 1 5   7   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   7   34 o 60.88768 4.876089  834.5400       112.9053 833.5292       
208.0052 834.9622       134.4332 59.96249 8.262579 61.81287 5.180226 -1.850384 
9.752177 
1 1 1 5   7   35 o 87.83955 4.286599  1594.481       143.1775 2069.282       
280.1235 1426.576       166.5808 95.03353 7.020916 80.64556 4.920005 14.38797 
8.573197 
1 1 1 5   7   36 o 38.61140 6.502828  439.4605       104.1386 225.2535       
205.3896 513.5845       120.8205 29.65824 11.51263 47.56456 6.050319 -17.90632 
13.00566 
1 1 1 5   7   37 o 16.42080 5.487693  -122.4982      104.0689 -463.7339      
210.9897 -12.78920      119.6341 15.35062 7.675311 17.49099 7.845297 -2.140365 
10.97539 
1 1 1 5   7   38 o 23.86793 6.824114  138.0354       110.9448 -14.21654      
218.3222 191.0403       128.8173 21.44406 9.983006 26.29180 9.306651 -4.847744 
13.64823 
1 1 1 5   7   39 o 24.09974 6.645303  167.1740       112.4109 -69.24728      
220.3587 250.3401       130.6953 19.59046 9.388837 28.60901 9.406909 -9.018543 
13.29061 
1 1 1 5   8   0  o 134.1087 1.801354  3662.210       96.40573 4139.458       
168.6379 3430.522       117.4990 140.3964 2.861016 127.8210 2.189541 12.57541 
3.602707 
1 1 1 5   8   1  o 117.0195 1.984269  2821.421       94.38552 3087.447       
157.2007 2671.458       118.0277 121.2465 3.088209 112.7926 2.492439 8.453873 
3.968537 
1 1 1 5   8   2  o 81.90956 2.105394  1409.394       72.36186 1466.282       
102.5065 1352.886       102.1646 83.55824 2.922021 80.26089 3.031918 3.297356 
4.210788 
1 1 1 5   8   3  o 354.2721 4.417267  26413.87       627.9870 26449.46       
781.0963 26348.82       1056.054 354.7140 5.245022 353.8303 7.109059 0.8836670 
8.834534 
1 1 1 5   8   4  o 96.59506 2.149590  1972.987       86.05407 2053.077       
114.3185 1868.265       130.7221 98.87668 2.753871 94.31345 3.301386 4.563232 
4.299181 
1 1 1 5   8   5  o 217.8589 3.190516  9604.131       226.9229 10568.53       
538.9002 9396.276       250.1849 224.1911 5.725468 211.5267 2.817195 12.66444 
6.381032 
1 1 1 5   8   6  f 90.76665 1.919794  1788.072       69.63950 1520.421       
112.7315 1953.241       88.55739 85.08375 3.155874 96.44954 2.186985 -11.36579 
3.839589 
1 1 1 5   8   7  o 289.6293 4.829109  17413.48       503.6816 18115.21       
1031.315 17193.67       577.2017 293.2348 8.377164 286.0238 4.806694 7.211029 
9.658218 
1 1 1 5   8   8  o 164.1292 2.795666  5585.006       178.5046 5856.266       
323.2167 5465.959       214.1211 166.9352 4.611763 161.3232 3.161430 5.611984 
5.591332 
1 1 1 5   8   9  f 217.4886 3.932931  9806.893       318.7826 10246.07       
620.1799 9649.188       371.6367 220.6737 6.694036 214.3034 4.130576 6.370361 
7.865862 
1 1 1 5   8   10 o 170.4097 1.987262  6108.173       141.9487 5809.349       
202.9268 6394.485       198.6335 166.3196 2.906143 174.4998 2.711306 -8.180176 
3.974525 
1 1 1 5   8   11 o 124.0700 1.573155  3229.718       81.89595 3300.876       
118.2919 3164.215       113.4938 125.3811 2.247211 122.7589 2.202116 2.622253 
3.146311 
1 1 1 5   8   12 o 198.5007 2.098956  8174.791       171.5728 7790.272       
219.7770 8774.808       274.5399 192.6042 2.717925 204.3973 3.199274 -11.79308 
4.197913 
1 1 1 5   8   13 o 378.3637 3.099061  30030.22       489.6400 30582.54       
734.4307 29588.30       656.9421 381.4709 4.585751 375.2564 4.169846 6.214539 
6.198123 
1 1 1 5   8   14 o 265.0948 3.369670  14771.84       375.0123 14878.54       
529.0204 14664.06       531.6846 266.0593 4.736038 264.1305 4.794647 1.928802 
6.739339 
1 1 1 5   8   15 o 435.4979 7.411237  40074.68       1355.045 40029.65       
1912.918 40120.03       1919.746 435.2559 10.46822 435.7400 10.49391 
-0.4841614     14.82247 
1 1 1 5   8   16 o 309.0989 3.849427  19931.94       485.3320 20767.11       
793.1825 19432.12       613.6056 314.1685 6.013559 304.0293 4.807231 10.13922 
7.698854 
1 1 1 5   8   17 o 173.5370 2.175064  6319.440       158.3790 6133.838       
219.5256 6520.915       228.7206 170.8829 3.059903 176.1910 3.092022 -5.308105 
4.350127 
1 1 1 5   8   18 o 209.7272 2.507144  9211.312       208.5874 9338.479       
360.8747 9147.512       255.6114 210.7761 4.078084 208.6783 2.917588 2.097748 
5.014288 
1 1 1 5   8   19 o 137.8350 1.871407  3953.834       105.9523 4164.962       
170.2367 3820.342       135.3653 140.8022 2.879817 134.8678 2.390672 5.934372 
3.742814 
1 1 1 5   8   20 o 176.0858 2.360686  6513.805       174.2959 6580.573       
253.5426 6453.980       239.9980 176.9358 3.413157 175.2358 3.262164 1.699966 
4.721373 
1 1 1 5   8   21 o 106.1554 2.199291  2358.941       97.31003 2448.176       
147.8775 2290.790       129.2334 107.9112 3.264049 104.3995 2.948474 3.511665 
4.398581 
1 1 1 5   8   22 o 72.67722 2.262739  1110.778       68.84472 1001.798       
96.15077 1225.424       98.61840 69.01437 3.318443 76.34005 3.076993 -7.325676 
4.525478 
1 1 1 5   8   23 o 43.91624 3.110796  403.9576       57.17030 444.1176       
84.93507 370.6894       77.30457 45.89874 4.407653 41.93375 4.390991 3.964981 
6.221591 
1 1 1 5   8   24 o 260.3335 3.119317  14324.20       340.0038 13899.22       
495.0912 14703.53       467.7488 256.6169 4.595377 264.0502 4.219368 -7.433319 
6.238634 
1 1 1 5   8   25 f 24.51038 4.818932  132.9367       54.49369 68.57211       
81.67674 184.5733       73.15671 20.07220 7.379806 28.94855 6.198941 -8.876341 
9.637863 
1 1 1 5   8   26 o 121.7724 2.041744  3131.690       102.4705 3055.586       
160.0107 3184.599       133.4175 120.4860 3.163249 123.0587 2.582390 -2.572609 
4.083489 
1 1 1 5   8   27 o 97.77383 2.129104  1977.220       85.26286 2166.419       
139.1461 1863.472       107.8907 101.4313 3.267536 94.11642 2.730484 7.314842 
4.258208 
1 1 1 5   8   28 o 142.4337 2.628786  4275.091       155.8027 4317.102       
237.1489 4243.188       206.6606 143.0028 3.950004 141.8647 3.469801 1.138168 
5.257571 
1 1 1 5   8   29 o 36.99702 5.698521  293.5745       75.13769 315.8805       
159.0054 287.1615       85.25732 37.27083 9.965617 36.72322 5.529833 0.5476151 
11.39704 
1 1 1 5   8   30 o 133.8093 3.435082  3653.303       170.0824 4147.001       
340.4357 3489.086       196.3421 139.1889 5.825747 128.4298 3.641404 10.75911 
6.870163 
1 1 1 5   8   31 o 84.61356 2.858000  1474.884       92.69035 1633.107       
174.2283 1412.425       109.4672 87.49828 4.742860 81.72882 3.190287 5.769463 
5.716000 
1 1 1 5   8   32 o 20.67046 5.755464  61.83443       70.11544 58.14594       
123.2821 63.59796       85.24491 21.70863 8.759758 19.63229 7.467804 2.076344 
11.51093 
1 1 1 5   8   33 o 41.56643 6.648237  413.8471       104.5511 387.4637       
202.3012 423.4620       122.1249 39.34020 11.51846 43.79265 6.642383 -4.452446 
13.29647 
1 1 1 5   8   34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   8   35 o 45.12097 6.395802  501.7881       105.6693 482.2925       
202.8369 509.0500       123.7949 42.59894 11.19467 47.64300 6.189063 -5.044064 
12.79160 
1 1 1 5   8   36 o 28.88013 7.080221  216.1539       102.5298 150.1505       
202.5419 238.8950       118.8879 27.03664 11.11210 30.72362 8.777201 -3.686981 
14.16044 
1 1 1 5   8   37 o 33.75603 7.870847  237.9523       119.2122 584.9110       
244.4545 129.6931       136.5500 43.44223 12.64328 24.06984 9.378079 19.37239 
15.74169 
1 1 1 5   8   38 o 22.95851 6.749706  90.81606       120.1169 -137.8545      
215.7571 193.5235       144.5975 19.32656 9.269097 26.59045 9.814172 -7.263897 
13.49941 
1 1 1 5   8   39 o 22.72980 7.029254  115.3455       120.9300 125.6527       
221.0183 110.9413       144.4743 23.58398 10.61720 21.87563 9.215031 1.708351 
14.05851 
1 1 1 5   9   0  f 98.68521 1.729008  2039.303       71.40431 1978.761       
96.58456 2112.276       106.0381 97.07536 2.369844 100.2951 2.518276 -3.219704 
3.458016 
1 1 1 5   9   1  o 108.9868 1.876820  2464.857       85.15342 2281.098       
111.9531 2717.101       131.1664 104.2255 2.558487 113.7480 2.746628 -9.522491 
3.753641 
1 1 1 5   9   2  o 115.3536 2.041793  2778.989       98.36307 2939.005       
148.3860 2653.558       131.3750 118.2976 2.987709 112.4096 2.783751 5.888039 
4.083586 
1 1 1 5   9   3  o 101.2830 1.669054  2148.764       68.60903 2174.373       
112.8057 2133.729       86.43333 101.7571 2.640508 100.8088 2.042226 0.9482651 
3.338108 
1 1 1 5   9   4  f 268.9738 2.856587  14939.11       271.0684 15681.88       
573.1828 14725.13       307.6455 273.1466 4.998255 264.8010 2.767272 8.345612 
5.713173 
1 1 1 5   9   5  o 95.42909 2.025194  1762.367       67.66847 2190.638       
150.1572 1653.225       75.80201 102.1231 3.502218 88.73508 2.034728 13.38801 
4.050389 
1 1 1 5   9   6  o 220.4341 2.331286  9895.621       182.9162 10793.99       
385.3685 9634.363       207.8184 226.6643 4.049618 214.2039 2.310881 12.46045 
4.662572 
1 1 1 5   9   7  o 171.6027 2.702697  6261.889       184.4694 5945.146       
312.0707 6432.006       228.7034 168.2046 4.419124 175.0008 3.112817 -6.796204 
5.405394 
1 1 1 5   9   8  o 92.95582 1.903214  1759.552       68.65676 1957.656       
126.5168 1676.861       81.73944 96.54596 3.121297 89.36568 2.178622 7.180283 
3.806427 
1 1 1 5   9   9  o 143.4852 1.755872  4270.890       101.9141 4515.174       
170.6070 4135.354       127.0794 146.6310 2.771354 140.3393 2.156836 6.291763 
3.511744 
1 1 1 5   9   10 o 272.1514 2.642989  15544.37       300.9688 15383.26       
408.2139 15736.25       445.4937 270.6154 3.592993 273.6874 3.877107 -3.071991 
5.285977 
1 1 1 5   9   11 o 162.8840 2.493011  5455.774       166.5733 5061.892       
210.9058 6108.847       271.5729 155.2427 3.235926 170.5254 3.793311 -15.28275 
4.986022 
1 1 1 5   9   12 o 223.6589 2.047953  10504.28       192.2736 10249.92       
270.4308 10764.31       273.4258 220.9204 2.915690 226.3974 2.876664 -5.476959 
4.095906 
1 1 1 5   9   13 o 247.3856 3.075652  12854.42       319.0874 12739.09       
440.1197 12982.21       463.2865 246.2218 4.257604 248.5493 4.439745 -2.327499 
6.151303 
1 1 1 5   9   14 o 247.6985 3.933908  12825.94       405.5025 12358.53       
534.8275 13457.94       621.9077 242.4457 5.254366 252.9513 5.856121 -10.50565 
7.867815 
1 1 1 5   9   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   9   16 o 448.5399 4.886722  42574.45       857.7189 41775.34       
1511.065 42954.32       1041.823 445.1649 8.085058 451.9149 5.491087 -6.749908 
9.773444 
1 1 1 5   9   17 o 128.5098 2.089572  3476.696       112.4844 3275.005       
161.1473 3668.345       157.0845 124.8636 3.074032 132.1560 2.831180 -7.292450 
4.179145 
1 1 1 5   9   18 o 173.4649 2.387319  6362.801       170.8573 6092.478       
264.4953 6556.381       223.8230 170.2666 3.700066 176.6632 3.017726 -6.396530 
4.774637 
1 1 1 5   9   19 o 114.2260 2.038678  2756.318       96.97385 2603.978       
144.3178 2881.723       130.9397 111.3257 3.087772 117.1262 2.662799 -5.800438 
4.077356 
1 1 1 5   9   20 o 223.2584 2.096031  10469.32       195.2338 10513.93       
293.2560 10433.81       261.6448 223.6729 3.122874 222.8439 2.796613 0.8289948 
4.192062 
1 1 1 5   9   21 o 247.9917 3.825535  13001.70       393.2308 12716.96       
602.7408 13212.70       518.8624 245.5344 5.847084 250.4491 4.934622 -4.914688 
7.651071 
1 1 1 5   9   22 o 138.6205 2.180650  4022.275       126.5807 3792.205       
171.6306 4296.672       187.4363 134.2967 3.044040 142.9443 3.123260 -8.647583 
4.361300 
1 1 1 5   9   23 o 158.9793 2.852247  5333.098       189.8848 5183.865       
276.3447 5466.583       261.3570 156.8458 4.196615 161.1129 3.863892 -4.267029 
5.704493 
1 1 1 5   9   24 o 66.50667 2.180871  926.1603       60.72982 995.7014       
89.99721 868.0210       82.28931 68.78577 3.116387 64.22755 3.051709 4.558220 
4.361742 
1 1 1 5   9   25 o 181.0984 2.457385  6954.178       177.4792 6755.949       
300.3590 7060.519       219.9924 179.0053 3.996647 183.1915 2.860378 -4.186172 
4.914769 
1 1 1 5   9   26 o 218.8211 3.540296  10035.84       314.6137 10445.61       
519.6476 9798.719       395.2961 222.1430 5.571822 215.4991 4.369162 6.643906 
7.080592 
1 1 1 5   9   27 o 67.19313 2.566351  956.3715       71.90117 899.8751       
106.1722 1004.231       97.72002 65.33305 3.870786 69.05321 3.370705 -3.720161 
5.132703 
1 1 1 5   9   28 o 42.57309 3.882870  385.7933       63.49476 587.8094       
96.42790 231.1544       84.36630 52.74121 4.354855 32.40498 6.429772 20.33623 
7.765741 
1 1 1 5   9   29 o 71.28978 2.408940  1065.410       70.94667 1111.304       
111.7148 1034.390       91.84570 72.53806 3.668309 70.04151 3.123377 2.496544 
4.817881 
1 1 1 5   9   30 o 25.39906 5.227169  134.2489       60.92829 201.3839       
92.78162 83.34750       80.78908 29.93122 7.412727 20.86691 7.371883 9.064310 
10.45434 
1 1 1 5   9   31 o 84.30112 2.319204  1501.174       82.02817 1431.266       
113.9342 1576.407       118.1937 82.26223 3.298944 86.34001 3.260643 -4.077782 
4.638407 
1 1 1 5   9   32 o 113.6347 2.346849  2778.278       108.8277 2544.557       
171.4488 2935.990       140.8381 109.4268 3.731916 117.8426 2.846682 -8.415825 
4.693697 
1 1 1 5   9   33 o 53.90099 5.403445  572.5417       110.9961 852.2737       
220.5841 477.6985       128.4417 61.22051 8.582194 46.58148 6.567708 14.63903 
10.80689 
1 1 1 5   9   34 o 56.56587 5.298610  720.9068       113.6330 732.8466       
211.1861 716.0413       134.8121 55.98553 8.984844 57.14621 5.619044 -1.160679 
10.59722 
1 1 1 5   9   35 o 48.97575 6.113059  568.9019       107.6750 585.8015       
208.3666 562.7449       125.7692 47.69149 10.67483 50.26001 5.960363 -2.568516 
12.22612 
1 1 1 5   9   36 o 31.82601 7.606406  239.4481       109.4527 357.3331       
214.5529 197.9760       127.2574 35.51178 12.05269 28.14024 9.282360 7.371548 
15.21281 
1 1 1 5   9   37 f 37.94488 7.591293  435.1635       129.3685 298.5420       
245.4456 487.7186       152.2309 31.92883 12.54394 43.96094 8.553389 -12.03211 
15.18259 
1 1 1 5   9   38 o 25.27701 7.296107  153.7259       119.9126 109.6705       
216.6377 173.1857       143.9808 24.77568 10.87057 25.77834 9.734647 -1.002661 
14.59221 
1 1 1 5   9   39 o 32.53666 6.467040  347.3141       131.8153 -92.34318      
227.1223 570.6211       161.8653 19.70910 9.466475 45.36421 8.813415 -25.65511 
12.93408 
1 1 1 5   10  0  o 356.8871 2.145643  26749.30       321.4326 26724.55       
450.2415 26775.03       459.0347 356.7204 3.006344 357.0539 3.062195 
-0.3335266     4.291286 
1 1 1 5   10  1  o 277.9965 1.843082  16140.50       188.4624 16411.41       
371.8616 16046.87       218.6189 279.5341 3.168601 276.4589 1.883554 3.075287 
3.686164 
1 1 1 5   10  2  o 316.7468 2.066746  21050.07       274.6953 20450.14       
381.0392 21699.25       396.3698 312.0530 2.908455 321.4406 2.937115 -9.387573 
4.133492 
1 1 1 5   10  3  o 211.8814 2.068201  9277.498       165.5969 9773.316       
315.6838 9089.270       194.5064 215.7048 3.485889 208.0579 2.226746 7.646896 
4.136402 
1 1 1 5   10  4  o 308.2865 3.083299  19970.62       399.0630 19847.08       
564.6024 20093.96       564.1187 307.3327 4.375776 309.2404 4.345056 -1.907684 
6.166598 
1 1 1 5   10  5  o 145.1270 1.978980  4476.106       104.9922 4315.000       
206.3200 4532.405       121.9652 143.3289 3.428692 146.9251 1.977248 -3.596161 
3.957959 
1 1 1 5   10  6  o 319.4144 3.655917  20820.84       331.5624 22307.18       
928.9135 20603.83       354.9429 325.5957 6.795441 313.2330 2.699057 12.36270 
7.311835 
1 1 1 5   10  7  o 236.3539 2.366298  11613.32       214.9786 12031.46       
396.5901 11439.32       255.8250 239.3090 3.947335 233.3989 2.610749 5.910080 
4.732596 
1 1 1 5   10  8  o 212.9713 2.476011  9535.084       220.2342 9605.724       
297.2802 9449.151       327.8797 213.8535 3.311088 212.0891 3.682284 1.764404 
4.952022 
1 1 1 5   10  9  o 530.0096 5.064968  59178.54       1119.168 58681.74       
1681.461 59573.68       1499.592 527.9241 7.586412 532.0952 6.712819 -4.171082 
10.12994 
1 1 1 5   10  10 o 176.8343 2.326048  6597.274       159.6567 6490.797       
285.8040 6645.575       192.4916 175.7729 3.872911 177.8957 2.577315 -2.122772 
4.652096 
1 1 1 5   10  11 o 274.2960 2.382085  15824.25       270.7837 15672.05       
416.7887 15935.42       356.2013 273.1394 3.634566 275.4525 3.080136 -2.313019 
4.764169 
1 1 1 5   10  12 o 218.3661 2.165789  10019.45       198.4313 9857.770       
284.2835 10173.07       277.1027 216.6450 3.125533 220.0871 2.998936 -3.442108 
4.331578 
1 1 1 5   10  13 o 146.1784 1.852014  4486.593       113.6414 4451.254       
159.0501 4523.448       162.4297 145.5908 2.602082 146.7660 2.636096 -1.175156 
3.704029 
1 1 1 5   10  14 f 276.1253 2.104315  15972.75       235.0357 16164.95       
389.5831 15862.76       294.7104 277.4091 3.345033 274.8414 2.554080 2.567749 
4.208630 
1 1 1 5   10  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   10  16 o 346.3721 5.106480  25309.34       738.5351 24887.94       
1098.469 25656.96       997.6829 343.6710 7.613178 349.0732 6.807648 -5.402222 
10.21296 
1 1 1 5   10  17 o 364.2861 5.551018  27813.62       826.2554 28707.77       
1341.138 27266.61       1048.974 368.7993 8.661723 359.7729 6.944764 9.026398 
11.10204 
1 1 1 5   10  18 o 98.28319 2.292415  2027.586       93.70589 2043.371       
142.8765 2015.670       124.1319 98.61283 3.451029 97.95354 3.018453 0.6592865 
4.584829 
1 1 1 5   10  19 o 254.1409 2.973490  13640.74       307.0903 13342.43       
498.9519 13822.64       389.6295 251.8375 4.719101 256.4442 3.618929 -4.606720 
5.946980 
1 1 1 5   10  20 o 243.1637 3.171840  12441.89       323.2757 12433.56       
470.7904 12449.32       444.6872 243.0701 4.613358 243.2572 4.354216 
-0.1870880     6.343679 
1 1 1 5   10  21 o 122.8405 2.421427  3182.216       123.7699 3100.095       
186.6477 3246.668       165.3544 121.4070 3.661844 124.2740 3.169248 -2.867012 
4.842854 
1 1 1 5   10  22 o 128.5498 1.859579  3479.719       100.1523 3339.834       
144.4791 3609.114       138.9558 126.0520 2.730085 131.0476 2.525623 -4.995590 
3.719158 
1 1 1 5   10  23 o 52.89194 2.761283  597.9156       60.41027 509.6734       
88.64365 674.4385       82.54774 49.17591 4.293548 56.60796 3.473352 -7.432049 
5.522565 
1 1 1 5   10  24 o 23.35764 4.628584  103.2792       53.62009 203.9809       
79.56850 19.50431       72.57379 30.44124 6.425518 16.27404 6.663923 14.16720 
9.257168 
1 1 1 5   10  25 o 145.8956 1.973773  4447.985       117.8632 4609.563       
190.6248 4347.986       149.9641 147.9937 3.068013 143.7974 2.484034 4.196365 
3.947547 
1 1 1 5   10  26 o 201.6163 2.767960  8495.622       228.5823 8892.906       
369.7090 8249.775       290.8317 205.3165 4.289012 197.9160 3.500111 7.400421 
5.535919 
1 1 1 5   10  27 o 94.84778 2.322110  1885.252       91.40443 1952.182       
141.4072 1837.218       119.7952 96.26722 3.498760 93.42833 3.054090 2.838890 
4.644221 
1 1 1 5   10  28 o 30.33156 4.460049  190.7051       61.31580 378.2894       
92.29160 42.48510       82.03841 42.25422 5.202512 18.40890 7.245827 23.84532 
8.920098 
1 1 1 5   10  29 o 81.56244 2.420093  1397.485       82.56035 1473.167       
123.3147 1336.001       111.1469 83.54322 3.515805 79.58166 3.326638 3.961563 
4.840187 
1 1 1 5   10  30 o 22.03934 4.922617  98.81589       54.91046 153.4886       
75.56290 37.63895       79.93134 26.21729 6.806401 17.86138 7.113475 8.355909 
9.845234 
1 1 1 5   10  31 o 24.06400 5.139744  124.4726       57.68649 165.8198       
83.38737 86.52374       79.88719 27.14576 7.198060 20.98223 7.338651 6.163530 
10.27949 
1 1 1 5   10  32 o 82.32708 2.336834  1434.753       80.73171 1491.597       
116.1438 1381.612       112.2971 83.90515 3.297073 80.74901 3.312474 3.156143 
4.673668 
1 1 1 5   10  33 o 89.76534 3.363383  1741.691       125.7534 1655.970       
187.1234 1812.290       169.8179 87.58448 5.088878 91.94620 4.399169 -4.361717 
6.726765 
1 1 1 5   10  34 o 90.07772 5.006011  1877.835       165.2325 1685.593       
312.8396 1952.213       194.5883 85.25798 8.739926 94.89746 4.884085 -9.639481 
10.01202 
1 1 1 5   10  35 o 28.47412 7.101558  173.3542       102.3862 271.3133       
174.7309 122.1321       126.3502 32.63770 10.87682 24.31055 9.133639 8.327145 
14.20312 
1 1 1 5   10  36 o 80.91408 5.390374  1438.852       162.6759 1762.187       
323.1422 1329.092       188.2731 84.84927 9.071239 76.97889 5.825560 7.870377 
10.78075 
1 1 1 5   10  37 o 26.37192 11.54666  109.1001       243.3693 109.1001       
243.3693 0.000000       0.000000 26.37192 11.54666 ?        ?        ? ? 
1 1 1 5   10  38 f 24.25903 7.106956  124.0758       120.9656 19.51560       
214.8050 172.6339       146.3835 22.61809 10.29040 25.89998 9.805253 -3.281889 
14.21391 
1 1 1 5   10  39 o 21.64497 6.885566  55.93845       123.7688 116.1308       
216.3933 26.67322       150.8861 23.74684 10.60371 19.54310 8.786658 4.203747 
13.77113 
1 1 1 5   11  0  o 507.8518 2.580251  53553.46       504.9653 55750.27       
928.4741 52630.74       601.7422 515.0927 4.293440 500.6108 2.863065 14.48187 
5.160501 
1 1 1 5   11  1  o 239.7576 1.544541  12169.81       138.0899 11852.02       
263.8308 12289.73       162.0611 237.5698 2.645181 241.9454 1.595447 -4.375595 
3.089083 
1 1 1 5   11  2  o 279.9287 2.026994  16387.70       224.6986 16662.08       
390.4091 16251.78       274.7702 281.6538 3.301606 278.2036 2.352491 3.450226 
4.053988 
1 1 1 5   11  3  o 211.8347 1.721036  9408.542       146.9966 9473.655       
245.1871 9372.005       183.6646 212.3969 2.749606 211.2725 2.070636 1.124420 
3.442073 
1 1 1 5   11  4  o 212.4043 2.032181  9470.718       170.4828 9486.270       
296.6753 9463.049       208.3115 212.5189 3.325101 212.2897 2.337251 0.2291870 
4.064362 
1 1 1 5   11  5  o 96.89555 1.967104  1970.512       74.73041 1974.878       
131.9262 1968.448       90.68214 96.96755 3.240601 96.82355 2.230806 0.1440048 
3.934208 
1 1 1 5   11  6  o 59.87949 2.006755  742.6722       46.46009 779.3394       
85.08488 727.0947       55.45775 60.91342 3.327059 58.84556 2.244758 2.067856 
4.013510 
1 1 1 5   11  7  o 503.1048 3.951003  53337.89       826.5875 52339.57       
1252.479 54108.23       1100.210 498.8650 5.980100 507.3446 5.165277 -8.479614 
7.902005 
1 1 1 5   11  8  o 172.6851 2.073794  6007.629       137.4341 5665.516       
161.9063 6889.734       259.9794 164.2601 2.347755 181.1102 3.419142 -16.85007 
4.147588 
1 1 1 5   11  9  o 153.3393 1.908580  4898.957       119.6950 5105.982       
194.2488 4772.233       151.9755 155.9242 2.967330 150.7543 2.401181 5.169876 
3.817161 
1 1 1 5   11  10 o 321.5969 2.694663  21654.24       361.1880 21145.76       
480.0966 22317.33       548.2565 317.2749 3.604242 325.9189 4.006779 -8.643982 
5.389327 
1 1 1 5   11  11 o 251.6882 2.417608  13147.02       234.0107 12916.60       
278.4156 13701.54       431.9152 248.0076 2.673927 255.3688 4.028577 -7.361252 
4.835217 
1 1 1 5   11  12 o 298.1620 2.474518  18671.93       309.7060 18810.20       
442.6945 18539.38       433.4333 299.2416 3.523734 297.0825 3.475091 2.159088 
4.949037 
1 1 1 5   11  13 o 173.6599 2.344089  6333.979       170.8951 6266.815       
240.2069 6402.819       243.1849 172.7278 3.312411 174.5919 3.317673 -1.864059 
4.688179 
1 1 1 5   11  14 o 285.0653 3.392453  17022.96       404.1860 16497.17       
542.8877 17676.86       605.4224 280.1582 4.615595 289.9724 4.973050 -9.814209 
6.784905 
1 1 1 5   11  15 o 204.0544 4.310102  8684.320       365.2928 8269.242       
477.9838 9267.163       566.4018 198.2705 5.742171 209.8382 6.429261 -11.56772 
8.620205 
1 1 1 5   11  16 o 190.0210 3.097312  7589.221       242.9820 7591.476       
379.8730 7587.659       316.1052 190.0224 4.761619 190.0195 3.962366 
0.2899170E-02  6.194623 
1 1 1 5   11  17 o 254.9882 3.314621  13661.87       333.3884 13698.66       
581.7040 13643.88       406.8348 255.1715 5.429889 254.8048 3.803046 0.3666840 
6.629242 
1 1 1 5   11  18 o 127.8616 2.327504  3429.691       123.3931 3468.980       
190.5782 3401.332       161.9133 128.4820 3.533067 127.2412 3.030929 1.240829 
4.655007 
1 1 1 5   11  19 o 197.0695 2.042455  8091.210       162.4753 8404.187       
272.2733 7918.128       202.4772 199.9828 3.242899 194.1563 2.483967 5.826584 
4.084909 
1 1 1 5   11  20 o 332.3602 5.256370  23163.88       713.6208 24111.13       
1161.259 22589.11       904.5788 337.5399 8.194547 327.1805 6.585369 10.35941 
10.51274 
1 1 1 5   11  21 o 273.1470 2.467742  15627.77       271.7381 15911.78       
454.5787 15469.84       338.9693 275.0036 3.937239 271.2905 2.976095 3.713043 
4.935483 
1 1 1 5   11  22 o 61.70472 2.472545  802.2187       63.86349 784.0414       
93.38931 818.1859       87.52853 61.04129 3.644135 62.36814 3.342781 -1.326843 
4.945089 
1 1 1 5   11  23 o 288.9733 2.955717  17544.46       336.7921 17749.09       
589.2073 17445.16       410.4564 290.0328 4.838849 287.9138 3.395671 2.118988 
5.911433 
1 1 1 5   11  24 o 77.29726 2.297241  1247.638       74.01609 1338.203       
113.0067 1179.599       97.94969 79.72589 3.376181 74.86862 3.116193 4.857269 
4.594481 
1 1 1 5   11  25 o 190.6987 2.520629  7712.288       197.0587 7411.615       
311.2575 7913.424       254.5762 187.4991 3.954046 193.8982 3.127267 -6.399094 
5.041258 
1 1 1 5   11  26 o 193.8419 3.253177  7946.933       263.9934 7714.689       
384.8351 8153.368       362.8227 191.1142 4.796260 196.5695 4.396422 -5.455261 
6.506354 
1 1 1 5   11  27 o 108.1262 2.048146  2465.915       91.66113 2424.417       
141.4345 2495.966       120.3580 107.3175 3.139106 108.9349 2.631656 -1.617363 
4.096291 
1 1 1 5   11  28 o 25.16824 5.299511  136.0894       60.11729 155.3673       
89.05698 119.9507       81.48420 26.60641 7.595251 23.73008 7.392660 2.876328 
10.59902 
1 1 1 5   11  29 o 76.02652 2.204622  1203.892       69.94495 1069.141       
93.19994 1377.653       105.8345 71.21436 3.117232 80.83868 3.118380 -9.624329 
4.409244 
1 1 1 5   11  30 o 25.63506 5.225687  145.5098       59.38642 135.7152       
84.76088 154.9539       83.23019 24.89845 7.496910 26.37166 7.282001 -1.473209 
10.45137 
1 1 1 5   11  31 o 142.6130 1.936287  4280.044       115.4393 4402.868       
172.3842 4180.179       155.4391 144.4357 2.842783 140.7902 2.629716 3.645508 
3.872573 
1 1 1 5   11  32 o 18.19886 4.867329  2.448212       60.23110 -97.12382      
80.73010 127.4588       90.45659 12.17722 5.794706 24.22050 7.822081 -12.04328 
9.734657 
1 1 1 5   11  33 o 33.00605 6.240345  253.8783       90.05774 330.9817       
130.2540 183.2639       124.6524 37.63688 8.450960 28.37522 9.184166 9.261656 
12.48069 
1 1 1 5   11  34 o 61.59041 4.088046  831.4666       105.6514 844.4737       
152.3504 819.4161       146.6404 62.02236 5.850817 61.15846 5.711077 0.8638954 
8.176091 
1 1 1 5   11  35 o 36.87021 6.123344  330.9016       93.42165 368.5952       
133.4855 294.7139       130.7920 39.11413 8.371614 34.62629 8.938538 4.487846 
12.24669 
1 1 1 5   11  36 f 32.38472 6.554478  300.6476       111.0216 13.39222       
213.2310 407.4815       130.0382 23.59642 10.53153 41.17302 7.805868 -17.57660 
13.10896 
1 1 1 5   11  37 o 42.28203 7.665217  394.5484       125.3285 791.6644       
254.5827 267.5230       143.9844 52.87941 11.77389 31.68466 9.818241 21.19475 
15.33043 
1 1 1 5   11  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   11  39 o 20.76321 6.614049  37.53725       121.6578 -79.81639      
219.8517 89.33233       146.0582 19.96618 9.522853 21.56023 9.181387 -1.594057 
13.22810 
1 1 1 5   12  0  o 249.3704 1.261491  13017.35       121.9615 13157.10       
220.2855 12955.57       146.4567 250.3244 2.096060 248.4164 1.404268 1.907974 
2.522982 
1 1 1 5   12  1  o 197.5754 1.191175  8268.814       96.79831 7808.312       
150.6964 8592.280       126.2993 192.8472 1.861275 202.3036 1.487025 -9.456482 
2.382349 
1 1 1 5   12  2  o 243.7320 1.855034  12365.60       161.5169 12683.01       
333.6034 12268.42       184.5949 245.7337 3.233603 241.7303 1.818903 4.003372 
3.710068 
1 1 1 5   12  3  o 366.7766 3.400090  28497.73       483.5362 27686.99       
864.3606 28867.02       583.3554 362.8610 5.673823 370.6923 3.748355 -7.831329 
6.800179 
1 1 1 5   12  4  o 413.7533 4.438726  36120.29       733.4561 35656.75       
1242.937 36367.93       908.4951 411.5749 7.193188 415.9317 5.202614 -4.356842 
8.877452 
1 1 1 5   12  5  o 330.1465 2.514494  22888.46       347.2041 22813.00       
470.5774 22978.61       514.3831 329.5590 3.401096 330.7340 3.704494 -1.174988 
5.028989 
1 1 1 5   12  6  o 325.4541 3.315471  22261.08       439.8120 22262.65       
558.6736 22258.50       713.2362 325.5149 4.087976 325.3933 5.220905 0.1215820 
6.630942 
1 1 1 5   12  7  o 96.04993 1.504013  1870.745       58.12400 2165.602       
100.2224 1721.311       71.34824 101.5549 2.350635 90.54498 1.876895 11.00990 
3.008026 
1 1 1 5   12  8  o 182.9947 1.975217  7047.744       150.5847 6904.256       
226.2489 7161.857       201.7658 181.3139 2.972189 184.6756 2.602310 -3.361679 
3.950434 
1 1 1 5   12  9  o 402.4816 3.270857  34148.02       538.0344 33585.19       
862.6868 34506.30       688.3003 399.7044 5.140853 405.2588 4.045448 -5.554352 
6.541714 
1 1 1 5   12  10 f 308.0187 2.515551  19741.38       316.3026 19154.38       
400.0091 20720.84       516.7042 301.9890 3.155003 314.0484 3.918921 -12.05936 
5.031102 
1 1 1 5   12  11 o 475.7704 4.676689  47671.07       932.9294 46769.73       
1346.715 48502.74       1293.610 471.4091 6.804539 480.1318 6.417472 -8.722748 
9.353378 
1 1 1 5   12  12 o 233.0253 2.632577  11323.72       253.5463 10952.69       
328.3040 11872.07       399.1167 228.3445 3.424574 237.7061 3.999268 -9.361618 
5.265155 
1 1 1 5   12  13 o 31.48123 3.439248  212.1819       44.06992 242.7428       
62.60070 182.1548       62.05148 33.98616 4.387309 28.97629 5.297663 5.009869 
6.878496 
1 1 1 5   12  14 o 369.1617 7.742388  28157.07       846.5631 29767.67       
2244.119 27889.84       914.0995 374.2240 14.28352 364.0994 5.979909 10.12457 
15.48478 
1 1 1 5   12  15 o 170.9280 2.348437  6107.996       165.2428 6284.723       
262.4518 5991.930       212.6924 172.9553 3.614405 168.9008 2.999449 4.054520 
4.696873 
1 1 1 5   12  16 o 456.6371 5.210977  43576.16       900.6331 44781.19       
1701.503 43107.13       1061.536 460.6149 8.798645 452.6594 5.585784 7.955444 
10.42195 
1 1 1 5   12  17 o 180.8967 2.425152  6790.550       178.7750 7221.883       
294.1854 6537.996       225.1090 185.3769 3.779955 176.4165 3.039308 8.960327 
4.850304 
1 1 1 5   12  18 o 321.3908 3.140403  21642.64       404.5588 21985.59       
685.1176 21459.04       501.2866 323.2550 5.048250 319.5266 3.736803 3.728455 
6.280806 
1 1 1 5   12  19 o 94.52348 1.919539  1882.713       75.84476 1806.109       
111.2323 1949.275       103.6862 92.71709 2.857540 96.32986 2.563782 -3.612778 
3.839077 
1 1 1 5   12  20 o 87.45424 2.023351  1606.368       73.99433 1616.014       
109.8019 1598.343       100.1504 87.69072 2.982478 87.21777 2.735072 0.4729538 
4.046702 
1 1 1 5   12  21 o 107.9743 2.317899  2432.376       103.5561 2559.910       
162.4961 2345.159       134.3785 110.3262 3.508209 105.6225 3.030364 4.703751 
4.635799 
1 1 1 5   12  22 o 294.7370 2.755394  17756.60       287.0706 19278.30       
609.9394 17323.61       325.3596 302.3962 4.804314 287.0778 2.699511 15.31842 
5.510789 
1 1 1 5   12  23 o 118.6061 2.274618  2960.123       113.2163 2848.944       
159.5325 3072.932       160.6978 116.3580 3.265683 120.8542 3.167154 -4.496201 
4.549236 
1 1 1 5   12  24 o 65.31439 2.470877  901.1462       67.53976 846.8735       
97.43155 951.3504       93.70847 63.40532 3.660117 67.22346 3.320313 -3.818146 
4.941754 
1 1 1 5   12  25 o 174.4864 2.403832  6376.402       171.3635 6561.582       
278.0596 6262.999       217.5977 176.4573 3.753351 172.5155 3.004328 3.941849 
4.807663 
1 1 1 5   12  26 o 134.8656 2.314209  3802.028       130.3358 3582.307       
173.8136 4084.284       197.0019 130.4572 3.173486 139.2740 3.369159 -8.816742 
4.628417 
1 1 1 5   12  27 o 179.5494 1.949483  6730.852       144.9940 6484.426       
188.6621 7086.420       226.6223 175.5921 2.559180 183.5068 2.941518 -7.914780 
3.898965 
1 1 1 5   12  28 o 116.0357 1.928488  2825.376       93.78531 2972.967       
137.6823 2697.614       128.1004 118.8512 2.759280 113.2203 2.694927 5.630829 
3.856976 
1 1 1 5   12  29 o 68.33274 2.442678  981.8176       69.95059 1058.796       
102.4088 914.4901       95.77433 70.83578 3.443542 65.82970 3.465360 5.006088 
4.885356 
1 1 1 5   12  30 o 87.36256 2.121642  1609.937       77.77927 1613.261       
111.8101 1606.821       108.2684 87.44344 3.045614 87.28170 2.954606 0.1617355 
4.243284 
1 1 1 5   12  31 o 82.35057 2.226494  1432.658       76.83652 1437.700       
112.1995 1428.205       105.4416 82.47107 3.240487 82.23007 3.054235 0.2409973 
4.452988 
1 1 1 5   12  32 f 41.40777 4.211158  374.2485       72.32345 404.0668       
97.78677 338.2408       107.4574 43.35743 5.372020 39.45810 6.486663 3.899326 
8.422316 
1 1 1 5   12  33 o 68.90841 3.815684  1033.173       109.6969 1104.968       
150.7937 952.4709       159.8739 71.60544 5.016007 66.21138 5.751301 5.394058 
7.631369 
1 1 1 5   12  34 o 48.70601 4.971219  542.0718       97.02890 430.0048       
138.0703 651.4188       136.3844 42.96698 7.953091 54.44503 5.966607 -11.47805 
9.942437 
1 1 1 5   12  35 f 34.96481 6.347147  300.2523       93.66933 305.6068       
132.9636 294.9769       131.9788 35.28469 8.956661 34.64493 8.995737 0.6397591 
12.69429 
1 1 1 5   12  36 o 77.75324 3.760669  1336.136       122.6371 1407.191       
178.2013 1272.206       169.0318 79.70791 5.325133 75.79858 5.311638 3.909332 
7.521339 
1 1 1 5   12  37 o 71.16118 3.910463  1108.001       115.2150 1389.145       
179.6156 911.4465       150.1833 78.70938 5.435489 63.61298 5.623374 15.09640 
7.820925 
1 1 1 5   12  38 o 38.45129 6.996795  472.1535       122.3304 217.0713       
253.2551 549.7816       139.7100 28.77955 12.16563 48.12303 6.915056 -19.34348 
13.99359 
1 1 1 5   12  39 o 36.19265 9.961818  385.5402       156.0661 0.000000       
0.000000 385.5402       156.0661 ?        ?        36.19265 9.961818 ? ? 
1 1 1 5   12  40 o 18.47410 6.103421  -42.61224      123.3746 -286.7592      
227.3997 59.23196       146.8698 16.93349 8.404469 20.01472 8.852791 -3.081232 
12.20684 
1 1 1 5   13  0  o 426.1175 2.080184  38588.33       352.0714 36710.64       
597.6649 39586.18       435.6909 418.0487 3.405272 434.1863 2.390141 -16.13754 
4.160367 
1 1 1 5   13  1  o 109.4011 1.478274  2495.006       61.48863 2555.496       
115.2627 2470.943       72.69688 110.3157 2.488701 108.4865 1.596104 1.829178 
2.956548 
1 1 1 5   13  2  o 273.9867 1.842924  15660.00       208.7883 15190.05       
270.7844 16349.03       327.8841 268.9588 2.398053 279.0146 2.799075 -10.05579 
3.685848 
1 1 1 5   13  3  o 248.9013 1.800959  13024.21       187.9604 12620.42       
269.9218 13404.32       261.8923 245.1491 2.622580 252.6534 2.468986 -7.504272 
3.601918 
1 1 1 5   13  4  o 285.0065 2.870442  17140.67       288.7140 16930.06       
601.1188 17203.82       329.1661 283.7937 5.045203 286.2192 2.739286 -2.425537 
5.740885 
1 1 1 5   13  5  o 299.9163 2.020107  18793.97       248.3327 18456.41       
317.0720 19329.58       399.4016 296.4642 2.547456 303.3683 3.135888 -6.904114 
4.040214 
1 1 1 5   13  6  o 466.3774 4.876087  45709.64       948.7202 45189.84       
1268.889 46368.58       1428.663 463.4389 6.521568 469.3160 7.250795 -5.877045 
9.752173 
1 1 1 5   13  7  o 180.8816 1.994927  6885.400       145.4125 6819.917       
241.8482 6922.477       181.9801 180.1954 3.196835 181.5677 2.387296 -1.372284 
3.989854 
1 1 1 5   13  8  o 274.1630 2.707128  15757.70       306.4079 15609.60       
397.7119 15973.98       480.6182 272.6009 3.475061 275.7251 4.151882 -3.124237 
5.414256 
1 1 1 5   13  9  o 120.9207 1.622182  3057.054       81.62846 2975.236       
107.8438 3166.811       124.9069 119.0365 2.157924 122.8049 2.422655 -3.768448 
3.244363 
1 1 1 5   13  10 o 428.0417 3.973977  38616.22       706.2656 37928.77       
1077.035 39134.86       935.4783 424.6328 6.041397 431.4506 5.164445 -6.817841 
7.947954 
1 1 1 5   13  11 o 235.7090 2.939512  11658.89       288.4488 11557.10       
383.0678 11792.19       438.3560 234.5369 3.890322 236.8811 4.407757 -2.344147 
5.879025 
1 1 1 5   13  12 o 166.5053 2.213384  5820.493       154.5682 5767.200       
213.3796 5879.330       224.2070 165.7056 3.067161 167.3049 3.191990 -1.599274 
4.426768 
1 1 1 5   13  13 o 240.8441 3.111122  12057.75       294.2605 12565.45       
522.7002 11822.20       356.0395 244.4664 5.092775 237.2217 3.574908 7.244751 
6.222244 
1 1 1 5   13  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   13  15 o 295.9430 2.428336  18419.88       296.4289 18291.98       
463.9068 18508.13       385.3629 295.0513 3.745022 296.8347 3.092262 -1.783417 
4.856673 
1 1 1 5   13  16 o 202.3354 2.037078  8621.148       169.5537 8488.462       
266.9854 8710.833       219.4992 201.0145 3.163599 203.6564 2.567177 -2.641998 
4.074157 
1 1 1 5   13  17 o 145.2544 1.952580  4401.708       114.1728 4537.060       
192.2005 4327.904       141.9277 146.9555 3.115229 143.5533 2.354914 3.402176 
3.905159 
1 1 1 5   13  18 o 92.15681 2.032945  1757.504       76.52526 1896.873       
125.5109 1675.038       96.54667 95.01406 3.146405 89.29957 2.575188 5.714493 
4.065890 
1 1 1 5   13  19 o 140.9993 1.836499  4176.574       107.1629 4176.049       
166.1715 4176.947       140.2155 140.9828 2.807447 141.0159 2.368367 
-0.3314209E-01 3.672999 
1 1 1 5   13  20 o 145.1559 2.481470  4437.809       149.6284 4377.632       
228.0091 4483.326       198.3006 144.2721 3.764356 146.0397 3.234253 -1.767578 
4.962940 
1 1 1 5   13  21 o 155.8955 2.474699  5107.913       160.4336 5140.022       
244.6504 5083.686       212.5052 156.3043 3.728173 155.4868 3.255346 0.8175507 
4.949399 
1 1 1 5   13  22 o 97.77829 2.105733  2010.657       86.39124 2002.903       
124.1948 2017.927       120.2520 97.59258 3.031151 97.96400 2.923793 
-0.3714218     4.211466 
1 1 1 5   13  23 o 119.7922 2.287084  3025.741       114.7860 2884.993       
165.0972 3157.439       159.7012 117.0788 3.358789 122.5056 3.105084 -5.426842 
4.574168 
1 1 1 5   13  24 o 100.9605 1.931564  2155.090       81.14597 2050.708       
121.4715 2239.211       109.0468 98.72620 2.930644 103.1948 2.516958 -4.468597 
3.863127 
1 1 1 5   13  25 o 72.46330 2.362665  1103.561       71.59664 973.7843       
99.00642 1245.824       103.6597 67.99735 3.468107 76.92925 3.209514 -8.931900 
4.725330 
1 1 1 5   13  26 o 52.97163 2.648785  586.5747       58.24240 473.1232       
78.89076 722.4875       86.34782 47.37418 3.966483 58.56909 3.511591 -11.19492 
5.297571 
1 1 1 5   13  27 o 171.9605 2.081028  6200.913       148.7063 6373.307       
228.5300 6074.311       195.8392 173.9982 3.128380 169.9228 2.745169 4.075394 
4.162056 
1 1 1 5   13  28 o 155.3192 1.919371  5076.855       125.1501 4991.229       
176.3779 5163.679       177.6064 153.9983 2.728030 156.6402 2.700702 -2.641830 
3.838742 
1 1 1 5   13  29 o 143.7983 2.336572  4360.668       141.0402 4303.599       
197.3221 4420.281       201.6709 142.8396 3.290397 144.7571 3.318367 -1.917511 
4.673143 
1 1 1 5   13  30 o 76.12928 2.375026  1223.872       75.85723 1162.264       
106.3544 1287.668       108.2267 74.17161 3.415379 78.08695 3.301240 -3.915344 
4.750053 
1 1 1 5   13  31 o 54.34212 2.681594  625.8256       60.63944 520.6739       
83.95688 740.5059       87.67837 49.53545 4.037023 59.14879 3.530756 -9.613338 
5.363188 
1 1 1 5   13  32 o 73.75775 3.250621  1159.945       100.5687 1109.290       
138.7847 1215.954       145.9358 72.06796 4.586914 75.44754 4.607208 -3.379585 
6.501242 
1 1 1 5   13  33 o 58.71576 3.794134  729.1094       91.96404 568.1171       
121.3154 946.6117       141.0085 51.17018 5.647029 66.26133 5.068814 -15.09115 
7.588269 
1 1 1 5   13  34 o 39.23803 5.676221  358.1354       91.97401 462.3493       
132.3240 260.7290       127.9291 45.52513 6.923225 32.95094 8.997050 12.57419 
11.35244 
1 1 1 5   13  35 o 69.28829 3.994788  1059.162       115.5336 918.7112       
160.7456 1209.248       166.1678 64.35271 5.949674 74.22387 5.332419 -9.871155 
7.989575 
1 1 1 5   13  36 o 25.09369 6.623925  138.7510       93.60819 141.3164       
135.5207 136.4102       129.4517 25.29663 9.468131 24.89074 9.266069 0.4058876 
13.24785 
1 1 1 5   13  37 o 24.08832 6.462898  122.8906       93.19099 61.79083       
133.4137 181.1071       130.2279 21.25348 8.899427 26.92317 9.374242 -5.669695 
12.92580 
1 1 1 5   13  38 o 55.16633 4.658459  711.4102       107.1867 821.4183       
155.7213 612.3606       147.7616 59.51185 6.232546 50.82080 6.925340 8.691048 
9.316917 
1 1 1 5   13  39 o 23.23551 5.606304  83.03816       90.01199 281.7630       
120.8371 -164.6907      134.9157 32.02934 8.743532 14.44167 7.019487 17.58767 
11.21261 
1 1 1 5   13  40 o 23.68211 6.872023  147.6808       122.3650 -29.84011      
205.8307 244.7146       152.1762 19.79588 9.343771 27.56834 10.07932 -7.772455 
13.74405 
1 1 1 5   14  0  o 105.9386 2.597931  2356.882       115.5476 2356.882       
115.5476 0.000000       0.000000 105.9386 2.597931 ?        ?        ? ? 
1 1 1 5   14  1  o 317.7354 4.487052  21197.43       597.5003 21982.85       
876.8569 20516.64       816.3680 323.2038 6.462094 312.2671 6.227029 10.93677 
8.974105 
1 1 1 5   14  2  o 226.4904 1.764359  10839.95       157.9273 10570.20       
272.6196 10976.19       193.7479 224.3421 2.894458 228.6387 2.018405 -4.296539 
3.528718 
1 1 1 5   14  3  o 241.8466 1.698753  12274.76       172.2588 12144.27       
237.0537 12420.75       250.7437 240.4875 2.347877 243.2059 2.455710 -2.718399 
3.397505 
1 1 1 5   14  4  o 70.73190 1.842739  1081.843       51.77037 947.9250       
85.77203 1158.591       64.93198 67.18125 3.041016 74.28256 2.082058 -7.101311 
3.685477 
1 1 1 5   14  5  o 243.0012 1.749580  12176.24       163.2032 11861.98       
193.5385 12949.72       303.6303 237.6883 1.939459 248.3141 2.912493 -10.62582 
3.499160 
1 1 1 5   14  6  o 123.0791 1.663696  3154.415       84.61510 3038.795       
109.4317 3326.316       133.4341 120.3008 2.166685 125.8575 2.525276 -5.556656 
3.327393 
1 1 1 5   14  7  o 460.1602 3.386499  44256.77       614.3864 43786.69       
747.6671 45234.23       1078.125 456.5193 3.900948 463.8010 5.536796 -7.281647 
6.772998 
1 1 1 5   14  8  o 257.4065 2.922423  13909.19       306.2161 13868.88       
387.8903 13975.86       498.8633 256.9425 3.595787 257.8705 4.607878 
-0.9279785     5.844846 
1 1 1 5   14  9  o 135.3131 1.611642  3847.633       91.48539 3726.136       
130.4978 3965.054       128.2902 133.2099 2.333391 137.4163 2.223701 -4.206314 
3.223284 
1 1 1 5   14  10 f 203.6678 2.087549  8705.612       176.8044 8757.813       
269.6247 8666.231       234.1827 204.1961 3.145092 203.1396 2.745878 1.056458 
4.175099 
1 1 1 5   14  11 o 112.1848 1.764190  2629.368       82.80694 2487.953       
111.6119 2802.518       123.5021 108.8476 2.442379 115.5221 2.546421 -6.674538 
3.528381 
1 1 1 5   14  12 o 211.9160 2.587819  9434.438       228.9075 9438.976       
342.6686 9430.782       307.6099 211.9526 3.850850 211.8794 3.458060 
0.7319641E-01  5.175638 
1 1 1 5   14  13 o 250.0247 2.350461  13059.47       235.7573 13375.27       
399.3354 12890.51       292.0935 252.3068 3.769902 247.7426 2.808292 4.564117 
4.700922 
1 1 1 5   14  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   14  15 o 154.5852 2.158362  5006.930       136.5583 5076.815       
219.7916 4962.992       174.2779 155.4500 3.367762 153.7203 2.700424 1.729691 
4.316724 
1 1 1 5   14  16 o 104.8495 1.923719  2308.663       84.61650 2187.326       
118.6714 2434.155       120.6856 102.0464 2.769936 107.6526 2.670251 -5.606216 
3.847439 
1 1 1 5   14  17 o 214.8801 2.267832  9702.181       204.5785 9632.940       
290.2078 9770.578       288.4357 214.1166 3.228344 215.6435 3.185912 -1.526886 
4.535663 
1 1 1 5   14  18 o 180.5472 2.866138  6824.883       212.4397 6993.705       
339.8241 6716.581       272.1813 182.3414 4.439050 178.7529 3.626821 3.588455 
5.732276 
1 1 1 5   14  19 o 220.0029 2.510262  10180.34       231.5934 10074.92       
334.7020 10277.18       320.7860 218.9008 3.641933 221.1050 3.455716 -2.204132 
5.020523 
1 1 1 5   14  20 o 199.7945 3.002491  8424.674       250.0995 8188.791       
373.5788 8616.262       336.6802 197.2197 4.511833 202.3694 3.962724 -5.149719 
6.004983 
1 1 1 5   14  21 f 203.7699 2.103472  8730.614       179.4533 8715.004       
263.6550 8744.089       244.9469 203.5884 3.084637 203.9513 2.860662 
-0.3628540     4.206943 
1 1 1 5   14  22 o 113.6154 2.193778  2704.183       103.8607 2801.280       
157.9674 2630.250       137.8430 115.3928 3.260690 111.8379 2.935735 3.554939 
4.387556 
1 1 1 5   14  23 o 147.1132 2.614449  4543.901       159.1877 4641.840       
247.9981 4475.270       207.6012 148.4186 3.979980 145.8077 3.391332 2.610901 
5.228899 
1 1 1 5   14  24 f 30.78222 4.436044  208.1793       55.42033 223.4957       
78.97923 193.3220       77.78676 31.95275 6.105772 29.61168 6.436885 2.341076 
8.872087 
1 1 1 5   14  25 o 183.9052 2.498824  7108.180       191.6735 6991.828       
255.8596 7256.989       289.3546 182.2264 3.344349 185.5841 3.713734 -3.357681 
4.997648 
1 1 1 5   14  26 o 223.8624 2.310978  10547.22       217.1140 10658.44       
312.0709 10442.89       302.2555 224.9988 3.303651 222.7261 3.232394 2.272690 
4.621956 
1 1 1 5   14  27 o 71.79726 2.283041  1090.833       68.46862 991.6266       
98.55309 1183.390       95.19283 68.61259 3.421271 74.98193 3.023908 -6.369339 
4.566083 
1 1 1 5   14  28 o 76.17125 2.117590  1220.231       67.54527 1102.946       
93.74126 1346.879       97.41130 72.36202 3.085611 79.98047 2.900992 -7.618446 
4.235179 
1 1 1 5   14  29 o 36.94379 3.997291  291.3675       61.83462 277.4483       
89.30597 304.1854       85.70016 36.07085 5.897190 37.81673 5.397824 -1.745876 
7.994582 
1 1 1 5   14  30 o 45.15690 3.305140  438.5866       61.82402 388.6821       
91.71714 480.1449       83.69697 42.72010 5.113748 47.59370 4.188719 -4.873604 
6.610279 
1 1 1 5   14  31 o 98.06995 2.003103  2026.439       82.31418 1978.663       
112.4221 2081.650       120.8545 96.83843 2.765189 99.30148 2.898866 -2.463043 
4.006207 
1 1 1 5   14  32 o 92.43062 3.034884  1822.291       117.6863 1757.705       
167.2910 1885.569       165.5891 90.77584 4.389585 94.08540 4.192090 -3.309555 
6.069767 
1 1 1 5   14  33 f 86.77968 3.400310  1612.966       123.5800 1713.984       
182.7751 1527.895       167.7296 89.24217 4.878293 84.31718 4.738215 4.924995 
6.800620 
1 1 1 5   14  34 o 117.8918 3.557395  3002.155       175.7115 3223.708       
258.5638 2812.043       239.5152 121.9008 5.052220 113.8828 5.009522 8.018036 
7.114790 
1 1 1 5   14  35 o 80.53165 3.717788  1415.826       125.3651 1502.628       
185.7441 1343.201       169.8996 82.73018 5.347762 78.33312 5.166162 4.397057 
7.435575 
1 1 1 5   14  36 o 41.35381 5.661328  411.4924       95.80659 327.7878       
135.0094 496.4019       135.9778 36.19675 8.928084 46.51088 6.963610 -10.31413 
11.32266 
1 1 1 5   14  37 o 67.16827 3.979990  1013.997       112.1441 1071.086       
161.4670 960.7960       155.8723 69.03862 5.570738 65.29794 5.685785 3.740685 
7.959980 
1 1 1 5   14  38 o 59.38586 4.218262  809.4609       104.9231 886.5554       
151.4306 738.2734       145.5136 62.24710 5.794493 56.52463 6.131785 5.722469 
8.436524 
1 1 1 5   14  39 o 46.91709 5.195366  546.4156       102.2383 531.3797       
145.9153 560.9161       143.2940 46.09011 7.540743 47.74408 7.148742 -1.653969 
10.39073 
1 1 1 5   14  40 f 24.74036 6.631306  180.6414       94.96754 195.7294       
132.2973 164.6018       136.4056 25.53413 9.391865 23.94659 9.364281 1.587540 
13.26261 
1 1 1 5   15  0  o 509.1766 3.550114  55104.02       655.1800 53347.28       
1305.277 55695.71       757.5225 503.4720 6.175164 514.8813 3.504367 -11.40930 
7.100228 
1 1 1 5   15  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   15  2  o 97.47357 1.955111  2000.224       74.25132 1982.434       
132.2516 2008.412       89.72778 97.14755 3.242576 97.79958 2.185300 
-0.6520309     3.910222 
1 1 1 5   15  3  o 149.8666 1.988383  4729.356       123.5447 4636.877       
189.3695 4797.887       163.0147 148.5817 3.035748 151.1515 2.568831 -2.569809 
3.976765 
1 1 1 5   15  4  o 207.1417 1.552674  8983.827       132.8472 9152.220       
208.2737 8868.323       172.4927 208.7682 2.376244 205.5151 1.999163 3.253174 
3.105348 
1 1 1 5   15  5  o 60.49594 1.637446  768.2286       41.51513 764.0983       
56.97065 772.9052       60.62183 60.32317 2.249511 60.66871 2.380046 
-0.3455429     3.274892 
1 1 1 5   15  6  o 182.3970 1.714839  6992.748       130.8703 6902.610       
192.5365 7070.158       178.4252 181.3005 2.529502 183.4934 2.316098 -2.192841 
3.429678 
1 1 1 5   15  7  o 127.5909 1.504817  3417.190       80.59088 3369.602       
112.5406 3467.280       115.4610 126.6796 2.116038 128.5022 2.140158 -1.822578 
3.009634 
1 1 1 5   15  8  o 40.21302 2.370735  339.3422       40.00064 349.4544       
57.81081 330.0542       55.40478 40.78699 3.376047 39.63904 3.329240 1.147949 
4.741469 
1 1 1 5   15  9  o 93.90656 1.688368  1851.113       66.55116 1886.451       
95.28188 1817.451       92.99492 94.78123 2.394468 93.03188 2.380940 1.749352 
3.376737 
1 1 1 5   15  10 o 104.0280 1.690114  2272.295       73.65447 2275.565       
107.8148 2269.433       100.8590 104.0970 2.466955 103.9590 2.310860 0.1379623 
3.380228 
1 1 1 5   15  11 o 264.7536 2.627280  14707.35       289.3175 14585.36       
383.1289 14869.22       441.3294 263.4930 3.463355 266.0142 3.951656 -2.521240 
5.254561 
1 1 1 5   15  12 o 137.3296 1.839544  3933.040       103.4476 3839.537       
131.6883 4083.725       167.1749 135.2192 2.319690 139.4400 2.855649 -4.220871 
3.679088 
1 1 1 5   15  13 o 177.0290 2.634444  6484.281       188.3271 6946.361       
317.4348 6233.297       233.9475 181.8007 4.158916 172.2574 3.234905 9.543289 
5.268889 
1 1 1 5   15  14 o 260.9030 4.996610  14345.02       546.7716 14264.07       
789.7660 14419.53       757.7322 260.1736 7.230300 261.6325 6.898348 -1.458954 
9.993220 
1 1 1 5   15  15 o 179.2480 2.688720  6722.136       193.3586 6854.719       
327.1092 6650.928       239.7240 180.5707 4.314858 177.9254 3.209185 2.645340 
5.377441 
1 1 1 5   15  16 o 160.2719 2.456829  5402.495       164.1176 5359.313       
246.9144 5436.672       219.6630 159.6871 3.682966 160.8567 3.252661 -1.169586 
4.913659 
1 1 1 5   15  17 o 160.6796 1.817522  5322.285       118.3600 5057.701       
147.4585 5801.487       198.4483 155.1821 2.263336 166.1770 2.844444 -10.99489 
3.635045 
1 1 1 5   15  18 o 136.1696 2.165936  3890.227       123.0855 3952.538       
185.0985 3840.833       164.8023 137.1382 3.214886 135.2011 2.903381 1.937134 
4.331872 
1 1 1 5   15  19 o 138.9444 2.114355  4044.027       122.6562 4179.624       
184.6642 3936.976       164.0788 141.0145 3.119177 136.8743 2.855299 4.140198 
4.228711 
1 1 1 5   15  20 o 199.7301 3.137705  8422.971       260.8032 8216.511       
393.2071 8585.142       348.4909 197.4951 4.742267 201.9650 4.109949 -4.469849 
6.275410 
1 1 1 5   15  21 o 141.5361 1.738412  4143.999       101.9649 3827.942       
132.0905 4610.026       160.3966 134.9707 2.331059 148.1015 2.579625 -13.13080 
3.476823 
1 1 1 5   15  22 o 103.4717 1.810735  2249.429       78.63049 2206.875       
109.3808 2294.939       113.1137 102.4605 2.542761 104.4828 2.578646 -2.022217 
3.621470 
1 1 1 5   15  23 o 143.8171 2.174462  4353.524       131.2386 4295.828       
187.5516 4408.879       183.7069 142.8774 3.126643 144.7569 3.022786 -1.879456 
4.348923 
1 1 1 5   15  24 o 43.09709 3.135728  392.0485       56.72893 397.0800       
79.93016 386.9416       80.52680 43.37811 4.388954 42.81606 4.479760 0.5620499 
6.271457 
1 1 1 5   15  25 o 90.44920 2.146993  1711.789       81.29533 1579.453       
110.1799 1869.925       120.4421 86.63458 3.029231 94.26382 3.043368 -7.629242 
4.293987 
1 1 1 5   15  26 o 162.1529 2.265106  5530.699       154.0450 5445.522       
212.4185 5625.186       223.7261 160.8451 3.145614 163.4606 3.260052 -2.615494 
4.530212 
1 1 1 5   15  27 f 173.2907 2.151546  6321.430       156.5302 6312.074       
221.8850 6330.699       220.8530 173.1616 3.052091 173.4199 3.033371 
-0.2582550     4.303092 
1 1 1 5   15  28 o 106.0124 1.807226  2354.783       80.26208 2184.824       
109.4879 2552.214       118.0056 101.8948 2.559382 110.1299 2.552221 -8.235115 
3.614453 
1 1 1 5   15  29 o 126.8581 1.796259  3388.617       95.66286 3415.841       
134.9896 3361.151       135.5878 127.3724 2.524329 126.3438 2.556158 1.028580 
3.592518 
1 1 1 5   15  30 o 79.87502 2.309896  1346.990       77.15440 1191.774       
107.4072 1512.472       110.9024 75.10108 3.406497 84.64895 3.120616 -9.547867 
4.619791 
1 1 1 5   15  31 o 169.8239 2.704071  6020.276       184.5029 5800.491       
227.9032 6438.285       314.3001 165.6198 3.277626 174.0280 4.301764 -8.408249 
5.408143 
1 1 1 5   15  32 f 47.83569 4.600764  495.9904       92.11759 519.2347       
136.7590 476.6858       124.6318 48.81472 6.673079 46.85665 6.335467 1.958073 
9.201529 
1 1 1 5   15  33 o 18.25465 5.630256  -20.16351      84.40807 -98.44038      
127.8112 40.38387       112.4087 16.41505 7.640460 20.09424 8.271790 -3.679184 
11.26051 
1 1 1 5   15  34 o 72.90840 3.518557  1152.115       107.3192 1156.766       
158.6384 1148.191       145.7269 72.94711 5.179898 72.86970 4.763363 
0.7741547E-01  7.037114 
1 1 1 5   15  35 o 32.93647 6.433931  263.9533       94.98761 354.5154       
137.2334 180.6628       131.6086 38.18089 8.744920 27.69206 9.439716 10.48884 
12.86786 
1 1 1 5   15  36 o 44.81833 5.509954  475.5093       101.4043 443.0418       
141.9117 509.3826       144.9512 42.76640 8.196157 46.87025 7.366233 -4.103848 
11.01991 
1 1 1 5   15  37 o 51.10573 4.496635  597.3338       95.88972 586.2721       
128.3625 611.3010       144.2388 50.79572 6.019106 51.41574 6.682011 
-0.6200142     8.993271 
1 1 1 5   15  38 o 29.39334 6.843673  233.2125       97.73833 247.2473       
141.7543 220.4942       134.9429 30.10724 9.796816 28.67944 9.558548 1.427801 
13.68735 
1 1 1 5   15  39 o 50.33556 4.965534  618.9667       104.8648 647.4584       
151.4067 592.6983       145.3794 51.46222 7.007736 49.20890 7.036883 2.253315 
9.931067 
1 1 1 5   15  40 o 28.01208 6.708197  241.2469       100.0513 149.5601       
144.6165 325.4214       138.5653 23.31570 9.454750 32.70847 9.518787 -9.392776 
13.41639 
1 1 1 5   16  0  o 415.3525 5.007751  36507.24       634.0658 36133.65       
1598.354 36577.01       690.7422 413.5306 9.206325 417.1744 3.943841 -3.643829 
10.01550 
1 1 1 5   16  1  o 231.6704 2.827165  11130.26       171.7578 11472.28       
522.6738 11088.85       181.8573 233.5342 5.330908 229.8066 1.884904 3.727615 
5.654329 
1 1 1 5   16  2  f 94.71795 2.141806  1860.359       80.58067 1958.215       
140.2776 1812.166       98.44334 96.54391 3.460864 92.89199 2.524231 3.651917 
4.283611 
1 1 1 5   16  3  o 135.4321 2.462522  3851.848       140.0169 3851.848       
140.0169 0.000000       0.000000 135.4321 2.462522 ?        ?        ? ? 
1 1 1 5   16  4  o 126.8774 1.954235  3340.748       101.0463 3221.198       
127.2795 3544.537       166.1788 123.8508 2.447828 129.9041 3.047010 -6.053337 
3.908469 
1 1 1 5   16  5  o 444.6081 2.226719  41553.10       414.9901 40928.71       
601.4918 42120.32       573.2924 441.4094 3.245706 447.8068 3.049345 -6.397430 
4.453438 
1 1 1 5   16  6  o 218.6779 1.917955  10028.24       171.8494 9975.798       
219.9308 10110.45       275.3748 217.9560 2.403467 219.3998 2.989572 -1.443817 
3.835909 
1 1 1 5   16  7  o 215.3195 1.710273  9730.115       153.9805 9672.167       
208.2897 9799.947       228.6549 214.6165 2.311670 216.0225 2.521173 -1.406006 
3.420546 
1 1 1 5   16  8  o 123.9528 1.590179  3224.425       82.68114 3183.797       
114.2709 3269.067       119.7812 123.1345 2.210432 124.7711 2.286628 -1.636635 
3.180358 
1 1 1 5   16  9  o 190.7671 1.863876  7645.002       148.4725 7664.054       
199.9813 7621.602       221.6267 191.0366 2.493411 190.4977 2.771108 0.5389404 
3.727752 
1 1 1 5   16  10 f 355.3758 2.839259  26493.74       419.3030 26224.83       
553.4807 26855.95       642.3655 353.2891 3.731585 357.4625 4.280285 -4.173431 
5.678518 
1 1 1 5   16  11 o 75.29095 1.937359  1186.010       61.09663 1125.983       
83.00544 1256.981       90.25667 73.22047 2.700195 77.36143 2.778919 -4.140961 
3.874718 
1 1 1 5   16  12 o 244.6959 2.316573  12374.59       211.4208 12142.08       
246.4185 13023.21       411.5712 240.4525 2.440984 248.9392 3.937973 -8.486649 
4.633146 
1 1 1 5   16  13 o 86.14681 4.237482  1559.983       153.2590 0.000000       
0.000000 1559.983       153.2590 ?        ?        86.14681 4.237482 ? ? 
1 1 1 5   16  14 o 202.9293 2.864717  8655.288       244.0466 8596.350       
342.6228 8715.987       347.7011 202.2292 4.035465 203.6294 4.067117 -1.400253 
5.729434 
1 1 1 5   16  15 o 83.17300 2.123552  1444.657       73.82339 1542.418       
110.9056 1366.880       98.92298 85.68269 3.083056 80.66331 2.921072 5.019379 
4.247105 
1 1 1 5   16  16 o 126.0220 2.075947  3332.742       109.5309 3286.395       
148.9757 3387.274       161.5926 125.0731 2.837088 126.9711 3.031362 -1.898003 
4.151894 
1 1 1 5   16  17 o 343.7367 2.356873  24803.37       339.4348 24388.18       
463.7573 25282.44       498.1530 340.6535 3.242641 346.8199 3.421210 -6.166412 
4.713746 
1 1 1 5   16  18 o 79.48917 2.090410  1327.819       69.75662 1350.257       
98.90757 1305.612       98.39594 80.15782 2.939035 78.82050 2.973439 1.337318 
4.180821 
1 1 1 5   16  19 o 200.6699 1.986653  8462.806       167.3633 8456.910       
235.4418 8468.827       237.9532 200.6004 2.795585 200.7394 2.823450 
-0.1389618     3.973306 
1 1 1 5   16  20 o 68.27431 2.218389  979.7644       63.54313 929.4436       
88.93766 1032.237       90.81899 66.48244 3.186396 70.06617 3.087375 -3.583725 
4.436779 
1 1 1 5   16  21 o 239.1735 2.157057  11902.64       210.2875 11517.89       
265.1582 12554.82       345.2217 234.0687 2.698253 244.2783 3.366156 -10.20963 
4.314114 
1 1 1 5   16  22 f 182.0293 1.971560  6967.890       150.6671 6912.706       
212.1378 7024.061       214.0255 181.3023 2.786993 182.7564 2.789421 -1.454147 
3.943120 
1 1 1 5   16  23 f 212.7190 2.914299  9543.851       260.0745 9614.552       
361.6789 9468.154       374.2447 213.5549 4.033989 211.8831 4.207077 1.671829 
5.828599 
1 1 1 5   16  24 o 53.92802 2.629510  612.6317       59.52380 622.2408       
85.17141 603.4576       83.22118 54.34045 3.733289 53.51560 3.704031 0.8248558 
5.259020 
1 1 1 5   16  25 o 168.8415 2.206142  5974.131       155.4270 5780.104       
207.1876 6223.860       235.0542 165.7393 2.977552 171.9437 3.256138 -6.204407 
4.412284 
1 1 1 5   16  26 o 143.0699 1.949962  4290.686       116.8988 4061.778       
159.3843 4557.178       171.9721 138.9576 2.732022 147.1822 2.783068 -8.224579 
3.899925 
1 1 1 5   16  27 o 150.1694 2.077673  4737.571       129.9536 4817.851       
197.2972 4676.052       172.7111 151.2670 3.106690 149.0719 2.759597 2.195053 
4.155346 
1 1 1 5   16  28 o 39.56371 3.406918  332.0743       56.47749 321.9460       
81.70544 341.3414       78.15524 38.97189 4.993679 40.15554 4.635896 -1.183655 
6.813836 
1 1 1 5   16  29 o 226.2578 2.618399  10739.85       242.3152 11161.80       
392.7908 10480.61       307.8831 229.6609 4.073758 222.8547 3.290677 6.806274 
5.236798 
1 1 1 5   16  30 o 39.09885 3.790530  344.3517       56.79065 213.9898       
80.75268 471.9196       79.88261 31.00771 6.419909 47.18999 4.032027 -16.18228 
7.581059 
1 1 1 5   16  31 o 131.2188 3.224623  3640.937       175.0495 3821.339       
274.5836 3517.418       227.2063 133.7952 4.888268 128.6423 4.206854 5.152924 
6.449247 
1 1 1 5   16  32 o 26.87998 5.970845  123.5715       87.50163 290.3627       
130.5180 -12.59673      117.9293 35.33170 8.817395 18.42826 8.053416 16.90343 
11.94169 
1 1 1 5   16  33 o 64.72746 3.772652  907.1296       101.0141 906.5319       
156.6116 907.5553       132.1855 64.53832 5.779992 64.91661 4.850083 
-0.3782883     7.545304 
1 1 1 5   16  34 o 58.87633 3.991865  740.1740       97.27251 938.0717       
150.5961 598.5029       127.4188 65.53530 5.473428 52.21735 5.812189 13.31795 
7.983730 
1 1 1 5   16  35 o 66.23267 3.412015  946.4623       94.36322 1051.360       
142.7885 865.1284       125.7323 69.42094 4.899184 63.04441 4.750304 6.376530 
6.824030 
1 1 1 5   16  36 o 89.35658 3.579386  1759.037       134.1200 1647.695       
187.7506 1875.062       191.6584 86.37202 5.177610 92.34113 4.943719 -5.969109 
7.158771 
1 1 1 5   16  37 o 68.73647 3.975006  1065.312       114.2900 965.4234       
161.4034 1165.765       161.8585 65.27225 5.889864 72.20068 5.339681 -6.928429 
7.950012 
1 1 1 5   16  38 o 46.20478 4.937681  504.4702       95.54478 464.0865       
130.1660 551.6467       140.6880 44.18328 7.017149 48.22628 6.948554 -4.043007 
9.875362 
1 1 1 5   16  39 o 67.87460 4.114903  1075.489       117.1282 1118.834       
170.6415 1036.875       161.0620 69.08897 5.882974 66.66022 5.755027 2.428749 
8.229807 
1 1 1 5   16  40 o 23.25368 6.623957  146.7308       99.96519 179.9380       
143.2268 115.1898       139.5876 24.64688 9.604269 21.86048 9.124978 2.786406 
13.24791 
1 1 1 5   17  0  o 256.8313 3.555771  13879.93       324.0980 13877.72       
671.2762 13880.60       370.0906 256.6570 6.229731 257.0056 3.429941 
-0.3485718     7.111543 
1 1 1 5   17  1  o 294.7983 4.370293  18225.05       490.7595 18489.75       
914.5110 18118.00       581.5969 296.0932 7.356676 293.5035 4.719868 2.589661 
8.740585 
1 1 1 5   17  2  o 177.5140 2.935797  6465.681       153.9866 6849.290       
410.2871 6402.787       166.1312 180.4180 5.416627 174.6100 2.266225 5.808014 
5.871594 
1 1 1 5   17  3  o 148.8463 2.085743  4649.942       129.6861 4692.997       
193.7543 4614.998       174.5527 149.4651 3.087681 148.2275 2.804910 1.237686 
4.171486 
1 1 1 5   17  4  o 244.8286 4.736856  12603.80       486.8904 0.000000       
0.000000 12603.80       486.8904 ?        ?        244.8286 4.736856 ? ? 
1 1 1 5   17  5  o 288.3692 5.850552  17499.73       708.3120 17499.73       
708.3120 0.000000       0.000000 288.3692 5.850552 ?        ?        ? ? 
1 1 1 5   17  6  o 212.8042 2.405905  9480.627       192.2190 9439.537       
225.7080 9589.102       366.7261 212.0072 2.535815 213.6012 4.089397 -1.594009 
4.811811 
1 1 1 5   17  7  o 293.6443 2.285087  18022.60       262.8167 17862.47       
318.0246 18367.52       466.7501 291.6363 2.597409 295.6524 3.760313 -4.016113 
4.570174 
1 1 1 5   17  8  o 119.7978 1.519663  2977.649       75.68032 2774.304       
99.04926 3262.876       117.3090 114.9442 2.052511 124.6515 2.241584 -9.707321 
3.039326 
1 1 1 5   17  9  o 167.4455 1.843480  5793.311       120.7232 5634.152       
145.2630 6148.683       217.0600 163.8020 2.112307 171.0889 3.021892 -7.286972 
3.686960 
1 1 1 5   17  10 o 454.3260 3.158730  43276.43       595.0257 44130.65       
920.7517 42663.86       779.7122 458.1151 4.787282 450.5369 4.122162 7.578186 
6.317459 
1 1 1 5   17  11 o 177.3164 1.867152  6603.100       138.7271 6611.735       
202.6735 6595.487       190.2910 177.4226 2.720878 177.2103 2.557704 0.2122345 
3.734305 
1 1 1 5   17  12 o 255.0658 1.884458  13634.91       200.5502 13926.40       
302.2755 13405.71       268.0420 257.4881 2.796191 252.6434 2.527062 4.844727 
3.768916 
1 1 1 5   17  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   17  14 o 233.4070 2.162369  11440.89       211.8389 11659.02       
303.9337 11234.82       295.4187 235.5685 3.073142 231.2454 3.042888 4.323151 
4.324739 
1 1 1 5   17  15 o 131.8439 1.976945  3618.762       108.0518 3455.758       
140.6704 3853.338       168.7505 128.2620 2.612315 135.4258 2.968006 -7.163834 
3.953890 
1 1 1 5   17  16 o 187.7370 2.109067  7404.379       165.9047 7381.653       
227.4103 7430.235       242.5724 187.4348 2.889887 188.0392 3.072656 
-0.6043854     4.218135 
1 1 1 5   17  17 o 138.6070 2.208866  4037.798       128.5255 4033.433       
180.4326 4042.293       183.1222 138.5322 3.102312 138.6819 3.145157 
-0.1497192     4.417731 
1 1 1 5   17  18 o 85.64954 1.882694  1540.649       67.58709 1527.408       
92.76326 1555.630       98.67564 85.25980 2.591509 86.03928 2.731708 
-0.7794800     3.765388 
1 1 1 5   17  19 o 104.9630 1.892552  2293.952       82.75376 2482.583       
126.8397 2154.150       109.1953 108.6801 2.779880 101.2458 2.568907 7.434395 
3.785104 
1 1 1 5   17  20 o 60.82463 2.168563  776.4667       55.16386 685.7726       
76.25104 876.0587       79.90408 57.10138 3.180682 64.54788 2.948547 -7.446507 
4.337127 
1 1 1 5   17  21 o 89.36671 1.955619  1682.000       73.24594 1582.656       
104.2525 1778.842       102.9310 86.75129 2.862407 91.98215 2.665408 -5.230858 
3.911237 
1 1 1 5   17  22 o 154.5910 2.580329  5033.785       167.4584 5068.939       
235.9521 4998.107       237.7015 155.1386 3.622638 154.0435 3.675443 1.095169 
5.160657 
1 1 1 5   17  23 o 119.5731 1.860543  3006.153       93.07195 3017.094       
137.6341 2996.935       126.3375 119.7642 2.737285 119.3819 2.520664 0.3823090 
3.721085 
1 1 1 5   17  24 o 48.29498 2.623900  491.4437       53.20173 489.1241       
75.16382 493.7726       75.31362 48.18053 3.715851 48.40943 3.705652 
-0.2289009     5.247800 
1 1 1 5   17  25 o 212.0971 2.328325  9423.021       203.3036 9233.845       
261.6844 9711.058       322.8995 209.4822 2.975443 214.7119 3.582055 -5.229675 
4.656649 
1 1 1 5   17  26 o 51.27121 2.928926  555.1346       62.94794 519.9146       
89.07661 590.2681       88.96717 49.63686 4.274452 52.90556 4.005434 -3.268692 
5.857853 
1 1 1 5   17  27 o 39.52431 3.695275  332.0451       61.10589 310.4315       
88.11273 352.0713       84.81512 38.26275 5.485087 40.78587 4.953186 -2.523121 
7.390550 
1 1 1 5   17  28 o 162.7969 2.015112  5581.675       137.7050 5613.380       
196.8078 5551.266       192.7445 163.2455 2.871588 162.3483 2.827843 0.8972626 
4.030225 
1 1 1 5   17  29 o 88.35225 2.142401  1634.127       79.16929 1804.052       
118.2070 1495.901       106.6131 92.48449 3.044354 84.22001 3.015200 8.264481 
4.284802 
1 1 1 5   17  30 o 104.6163 2.134693  2310.735       93.68536 2195.191       
131.9480 2428.200       133.0410 101.9662 3.082249 107.2665 2.954218 -5.300323 
4.269386 
1 1 1 5   17  31 o 123.7549 3.052072  3261.744       157.1400 3238.099       
238.2628 3279.946       209.0506 123.2420 4.604881 124.2678 4.006949 -1.025803 
6.104144 
1 1 1 5   17  32 f 16.84659 5.273902  -28.63598      74.85760 -67.36423      
112.2097 2.422992       100.4870 16.08236 7.354362 17.61081 7.561053 -1.528446 
10.54780 
1 1 1 5   17  33 o 38.70341 5.713626  346.8021       89.74528 378.4389       
131.2928 319.0559       122.9550 40.42475 8.021062 36.98207 8.139081 3.442684 
11.42725 
1 1 1 5   17  34 o 27.38580 5.815321  131.2079       87.59051 330.9992       
131.8422 -26.64756      117.1914 37.20602 8.605108 17.56557 7.824574 19.64044 
11.63064 
1 1 1 5   17  35 f 22.41872 6.156474  92.11468       81.83855 88.26846       
129.8047 94.65221       105.4335 22.78727 9.068229 22.05017 8.329221 0.7371044 
12.31295 
1 1 1 5   17  36 o 33.40904 5.829762  276.5215       80.95401 259.7614       
123.2680 289.2321       107.3484 32.16909 8.852958 34.64899 7.587464 -2.479897 
11.65952 
1 1 1 5   17  37 o 27.00641 6.514022  179.7256       92.81578 104.6450       
134.2581 248.4577       128.4567 23.08909 9.211753 30.92372 9.212685 -7.834627 
13.02804 
1 1 1 5   17  38 o 40.86751 5.670223  420.6825       94.91847 480.3275       
131.7898 356.3961       136.8215 44.94232 6.984694 36.79269 8.934192 8.149632 
11.34045 
1 1 1 5   17  39 o 32.43924 6.819179  305.6973       100.2922 275.0861       
145.4150 333.4690       138.5062 30.55234 9.922508 34.32614 9.356744 -3.773804 
13.63836 
1 1 1 5   17  40 f 45.48098 5.764541  559.2288       107.5602 549.8418       
155.5416 567.8315       148.9017 44.36958 8.658830 46.59238 7.612121 -2.222805 
11.52908 
1 1 1 5   18  0  o 191.2063 2.464304  7716.664       179.9046 7609.501       
331.6479 7761.346       214.1508 190.2059 4.153119 192.2067 2.653825 -2.000793 
4.928608 
1 1 1 5   18  1  o 235.3163 4.802284  11581.03       336.3767 11822.64       
879.4031 11539.62       364.0625 236.3408 8.862789 234.2919 3.701176 2.048874 
9.604568 
1 1 1 5   18  2  o 73.87882 1.711700  1138.667       52.91199 1038.161       
71.54327 1260.020       78.61310 70.30440 2.423859 77.45325 2.417555 -7.148849 
3.423399 
1 1 1 5   18  3  o 293.2734 2.917305  18126.57       355.3541 17778.88       
540.9686 18390.47       471.2976 290.7582 4.431606 295.7887 3.795200 -5.030518 
5.834610 
1 1 1 5   18  4  o 137.5984 2.056301  3977.413       118.7744 3892.233       
167.5063 4063.549       168.4424 136.1160 2.931184 139.0809 2.884728 -2.964981 
4.112602 
1 1 1 5   18  5  o 260.0313 3.155842  14189.71       343.1767 13911.22       
463.2137 14528.54       510.9387 257.2258 4.289315 262.8369 4.630241 -5.611023 
6.311684 
1 1 1 5   18  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   18  7  o 87.22569 1.949616  1591.589       70.75935 1551.279       
93.47427 1645.690       108.2902 85.94070 2.590683 88.51069 2.914168 -2.569984 
3.899232 
1 1 1 5   18  8  o 77.02148 1.830884  1241.192       59.08548 1327.129       
86.93545 1167.418       80.54855 79.48936 2.605007 74.55360 2.573417 4.935760 
3.661767 
1 1 1 5   18  9  o 49.59329 2.259872  516.6624       46.87377 458.1542       
65.30496 578.8369       67.32000 46.69584 3.331111 52.49074 3.054798 -5.794907 
4.519744 
1 1 1 5   18  10 o 313.9650 2.168859  20722.92       275.6339 20657.62       
454.4055 20760.93       346.6998 313.5394 3.452014 314.3905 2.626668 
-0.8511658     4.337717 
1 1 1 5   18  11 o 305.1084 3.796527  19596.20       486.0942 19436.13       
696.4557 19748.23       678.7675 303.8801 5.458991 306.3368 5.277679 -2.456726 
7.593054 
1 1 1 5   18  12 o 194.0754 2.007196  7817.012       153.1734 8183.407       
271.7286 7646.362       185.4445 197.3439 3.279689 190.8068 2.314948 6.537109 
4.014392 
1 1 1 5   18  13 o 360.4697 3.014646  27326.49       456.2111 27450.77       
643.1707 27200.65       647.2082 361.2982 4.240153 359.6413 4.286427 1.656860 
6.029292 
1 1 1 5   18  14 f 201.7749 2.159524  8526.629       179.8784 8707.958       
282.6927 8403.265       233.1725 203.5541 3.307927 199.9957 2.777013 3.558411 
4.319049 
1 1 1 5   18  15 f 203.3576 1.981961  8672.366       168.7774 8909.144       
249.1208 8471.481       229.4635 205.9131 2.881689 200.8021 2.721864 5.110977 
3.963922 
1 1 1 5   18  16 f 311.8568 4.218225  20471.35       550.7528 20027.88       
748.0198 20996.38       813.9092 308.2187 5.780631 315.4950 6.144753 -7.276367 
8.436450 
1 1 1 5   18  17 o 123.8221 2.008288  3213.451       103.7052 3149.487       
138.2573 3295.736       156.8112 122.4245 2.689930 125.2196 2.982812 -2.795151 
4.016577 
1 1 1 5   18  18 o 146.4977 2.362130  4504.889       145.1190 4339.038       
199.5165 4691.196       211.4624 143.6426 3.308389 149.3528 3.372415 -5.710114 
4.724259 
1 1 1 5   18  19 o 119.8343 2.023089  3020.669       101.7190 3076.100       
142.1973 2962.581       145.5666 120.9646 2.799975 118.7039 2.920907 2.260651 
4.046179 
1 1 1 5   18  20 o 117.3756 2.223380  2887.911       109.2773 3034.411       
161.7934 2765.019       148.1846 120.0981 3.208825 114.6531 3.078494 5.444969 
4.446761 
1 1 1 5   18  21 o 76.02571 1.995310  1202.717       63.01700 1301.764       
97.83479 1132.486       82.38298 78.66486 2.962331 73.38655 2.673881 5.278313 
3.990619 
1 1 1 5   18  22 o 167.8436 2.084611  5923.656       146.7833 6017.655       
212.4337 5837.778       203.0499 169.1112 2.992074 166.5760 2.903430 2.535110 
4.169222 
1 1 1 5   18  23 o 64.40308 2.369317  873.3759       64.05573 891.2473       
90.82478 855.6893       90.35402 65.06010 3.325146 63.74605 3.376100 1.314045 
4.738633 
1 1 1 5   18  24 o 43.33992 3.224545  396.5463       58.65696 408.0048       
83.10828 385.1727       82.79951 43.96687 4.502355 42.71296 4.617311 1.253910 
6.449090 
1 1 1 5   18  25 o 139.0836 1.938290  4051.313       112.8141 3861.211       
152.2974 4282.450       167.9325 135.4907 2.677343 142.6765 2.803517 -7.185867 
3.876580 
1 1 1 5   18  26 o 108.8586 2.234333  2476.006       101.4019 2650.281       
154.6365 2344.535       134.3100 112.1805 3.283341 105.5367 3.031279 6.643753 
4.468667 
1 1 1 5   18  27 o 139.1479 2.459807  4053.847       142.7378 4319.484       
217.2261 3852.002       189.3553 143.1069 3.615534 135.1888 3.336244 7.918106 
4.919614 
1 1 1 5   18  28 o 76.92009 2.401728  1249.572       77.39968 1151.500       
109.0083 1349.285       109.9168 73.85944 3.515397 79.98074 3.273404 -6.121292 
4.803456 
1 1 1 5   18  29 o 140.1628 2.174697  4137.895       127.8242 4000.656       
175.7110 4292.163       186.2942 137.7069 3.039235 142.6186 3.111316 -4.911697 
4.349395 
1 1 1 5   18  30 o 62.35769 2.768626  825.4249       71.78546 682.9871       
99.73084 978.5630       103.4090 56.72346 4.187818 67.99191 3.622615 -11.26845 
5.537252 
1 1 1 5   18  31 o 28.64681 6.130299  164.5115       86.91908 294.9308       
130.5359 60.62748       116.5020 35.75780 8.753802 21.53582 8.584475 14.22198 
12.26060 
1 1 1 5   18  32 o 41.69193 5.407670  388.0258       92.40913 441.0426       
136.9006 343.6503       125.2479 44.71099 7.293098 38.67286 7.986380 6.038132 
10.81534 
1 1 1 5   18  33 o 71.23048 3.499905  1103.680       103.8507 1003.452       
151.6671 1192.153       142.4958 68.01184 5.311631 74.44913 4.558937 -6.437286 
6.999809 
1 1 1 5   18  34 o 88.75954 3.385099  1715.882       125.1300 1636.528       
186.4326 1780.935       168.7995 86.67834 5.123094 90.84073 4.426001 -4.162392 
6.770197 
1 1 1 5   18  35 o 26.49078 5.771160  161.2408       79.65736 44.11284       
118.1148 258.9569       107.8841 20.16658 8.404324 32.81497 7.911543 -12.64839 
11.54232 
1 1 1 5   18  36 o 44.28307 5.325693  470.5350       94.66201 411.5273       
142.0617 517.6592       126.9533 40.80458 8.565500 47.76155 6.331211 -6.956974 
10.65139 
1 1 1 5   18  37 o 29.94012 6.594533  231.5724       92.00249 270.1438       
135.3701 198.4623       125.4211 32.03790 9.435706 27.84234 9.215145 4.195555 
13.18907 
1 1 1 5   18  38 o 49.69274 5.162166  593.4796       100.7559 820.0023       
149.7993 406.3386       136.1564 59.60601 5.986054 39.77948 8.411836 19.82653 
10.32433 
1 1 1 5   18  39 o 28.77324 6.966701  245.2230       103.0745 199.8883       
150.8463 284.9296       141.1727 26.41000 9.966727 31.13648 9.736735 -4.726484 
13.93340 
1 1 1 5   18  40 o 51.62415 4.901041  680.5933       103.7685 728.0247       
137.7478 618.3582       157.7865 54.84897 5.981874 48.39933 7.765179 6.449646 
9.802082 
1 1 1 5   19  0  o 134.3873 2.441272  3780.194       136.9084 3950.547       
207.0534 3647.851       182.4984 137.0551 3.598391 131.7195 3.300124 5.335587 
4.882544 
1 1 1 5   19  1  o 223.0491 3.769777  10365.37       298.4424 10704.48       
622.8241 10264.30       340.0206 225.1693 6.588358 220.9290 3.665841 4.240387 
7.539553 
1 1 1 5   19  2  o 196.3892 2.341779  8067.525       190.4605 7875.339       
248.2823 8342.334       296.8928 193.5807 3.054955 199.1977 3.550065 -5.617020 
4.683558 
1 1 1 5   19  3  o 171.7377 2.253269  6172.233       161.1993 6401.774       
245.5970 5998.502       213.6645 174.5203 3.351954 168.9550 3.012191 5.565308 
4.506538 
1 1 1 5   19  4  o 275.3680 3.292878  15907.41       374.0991 16209.59       
588.7068 15702.73       484.4999 277.4974 5.053138 273.2386 4.223502 4.258850 
6.585755 
1 1 1 5   19  5  o 136.5753 2.186915  3925.672       124.8628 3848.230       
184.3094 3991.363       169.7527 135.3216 3.244155 137.8290 2.933573 -2.507477 
4.373830 
1 1 1 5   19  6  o 64.85497 2.133992  882.9693       57.94754 873.2984       
78.89237 894.2997       85.39358 64.47170 2.914654 65.23824 3.117769 
-0.7665405     4.267984 
1 1 1 5   19  7  o 170.4908 2.523723  6120.445       180.1914 5927.727       
261.7858 6293.958       248.3991 167.9268 3.713189 173.0547 3.418910 -5.127914 
5.047446 
1 1 1 5   19  8  o 19.16607 6.724248  68.07194       67.11432 68.07194       
67.11432 0.000000       0.000000 19.16607 6.724248 ?        ?        ? ? 
1 1 1 5   19  9  o 212.3983 3.523502  9416.021       308.6729 9898.594       
489.4628 9097.374       397.7340 216.8362 5.376615 207.9605 4.555469 8.875748 
7.047005 
1 1 1 5   19  10 o 40.10826 2.683400  336.8232       44.26348 437.5763       
65.38032 251.5648       60.14314 45.62915 3.412917 34.58737 4.141805 11.04178 
5.366801 
1 1 1 5   19  11 o 166.4934 1.815557  5820.210       126.5711 5860.661       
186.1911 5785.459       172.5798 167.0269 2.655178 165.9599 2.476897 1.067017 
3.631114 
1 1 1 5   19  12 o 77.62402 3.402065  1266.479       110.8709 0.000000       
0.000000 1266.479       110.8709 ?        ?        77.62402 3.402065 ? ? 
1 1 1 5   19  13 o 70.23827 1.949844  1033.344       57.40661 977.4452       
78.57027 1097.359       84.07992 68.20717 2.743780 72.26936 2.771144 -4.062195 
3.899688 
1 1 1 5   19  14 o 106.3540 1.768981  2376.283       78.62920 2376.206       
106.2626 2376.376       116.8929 106.3561 2.379794 106.3519 2.617967 
0.4196167E-02  3.537961 
1 1 1 5   19  15 o 244.5158 2.210117  12528.24       224.2894 12315.76       
294.5254 12821.57       346.0553 242.0784 2.897929 246.9531 3.337736 -4.874695 
4.420235 
1 1 1 5   19  16 o 217.8669 2.427586  9964.184       218.4265 10078.30       
342.0116 9885.577       283.8568 218.8846 3.721745 216.8492 3.117902 2.035400 
4.855172 
1 1 1 5   19  17 o 79.94257 2.026478  1343.346       67.96493 1345.014       
98.02645 1341.802       94.31481 79.98827 2.919026 79.89685 2.811715 
0.9142303E-01  4.052957 
1 1 1 5   19  18 o 332.5566 2.206477  23068.19       296.5093 22575.90       
370.0497 23951.14       495.5826 327.7191 2.689548 337.3941 3.498643 -9.674957 
4.412955 
1 1 1 5   19  19 o 101.5220 1.966479  2162.771       83.72221 2076.209       
115.1182 2259.964       121.9818 99.37119 2.759336 103.6728 2.802539 -4.301567 
3.932958 
1 1 1 5   19  20 o 230.4704 2.198373  11137.75       211.8921 10770.05       
285.4478 11589.03       316.2326 226.2655 3.004896 234.6753 3.209669 -8.409836 
4.396746 
1 1 1 5   19  21 o 112.3377 1.819405  2649.490       85.73872 2764.424       
124.3195 2545.238       118.4025 114.6566 2.582624 110.0188 2.563394 4.637878 
3.638809 
1 1 1 5   19  22 o 38.85152 3.306151  319.7018       53.69239 285.7944       
75.99162 353.5039       75.87354 36.77579 4.921808 40.92725 4.415692 -4.151459 
6.612302 
1 1 1 5   19  23 o 90.87617 2.198107  1730.158       83.66929 1868.088       
123.4237 1612.873       113.8123 94.21117 3.120450 87.54118 3.096691 6.669983 
4.396215 
1 1 1 5   19  24 o 190.7617 2.011198  7643.700       160.1504 7764.947       
240.5340 7547.151       214.6445 192.0977 2.982466 189.4258 2.698993 2.671936 
4.022396 
1 1 1 5   19  25 o 165.5318 2.203372  5763.085       151.9858 5806.722       
229.7624 5729.135       202.6606 166.0613 3.295577 165.0022 2.925502 1.059067 
4.406744 
1 1 1 5   19  26 o 102.6820 1.751557  2216.609       75.48475 2141.247       
105.5471 2295.513       107.9983 100.8951 2.491708 104.4689 2.462357 -3.573769 
3.503114 
1 1 1 5   19  27 o 41.70153 3.228015  368.1146       56.34909 331.8470       
78.75661 406.1534       80.65664 39.58353 4.739075 43.81954 4.384231 -4.236012 
6.456029 
1 1 1 5   19  28 o 134.8438 1.870831  3813.973       105.2342 3696.883       
140.1625 3965.255       159.3183 132.5029 2.519578 137.1848 2.766182 -4.681961 
3.741662 
1 1 1 5   19  29 o 67.37169 2.179796  956.8780       61.59790 900.6136       
85.66626 1017.109       88.63471 65.31860 3.123878 69.42478 3.040958 -4.106186 
4.359591 
1 1 1 5   19  30 o 86.28624 2.923943  1570.315       105.1200 1665.075       
160.5652 1499.233       139.0661 88.50344 4.321279 84.06905 3.940091 4.434395 
5.847886 
1 1 1 5   19  31 o 44.03376 4.969648  419.7816       88.56210 534.3685       
135.7070 334.7799       116.8821 49.59505 6.517558 38.47248 7.504068 11.12257 
9.939296 
1 1 1 5   19  32 o 33.90952 6.085919  270.4223       86.80321 248.5651       
128.9943 288.5108       117.3472 32.53424 9.094352 35.28480 8.089896 -2.750561 
12.17184 
1 1 1 5   19  33 o 47.42293 4.616660  500.6230       91.06472 459.0092       
134.2250 536.1136       123.9569 45.38846 7.043830 49.45740 5.969812 -4.068939 
9.233320 
1 1 1 5   19  34 o 29.79112 5.803628  198.8970       78.88193 317.8634       
120.4002 109.4283       104.4121 36.57792 8.057439 23.00432 8.355004 13.57360 
11.60726 
1 1 1 5   19  35 o 23.53530 6.082356  109.2107       79.67789 171.2276       
120.6478 61.23919       106.1100 26.83905 9.038090 20.23155 8.142061 6.607500 
12.16471 
1 1 1 5   19  36 f 41.60449 5.253943  415.5240       86.96504 380.7943       
136.8934 439.0241       112.6074 39.14149 8.565621 44.06749 6.086527 -4.925995 
10.50789 
1 1 1 5   19  37 o 71.49193 3.344501  1136.748       99.72106 1062.204       
146.2459 1201.525       136.3294 69.03634 5.045766 73.94752 4.391239 -4.911179 
6.689001 
1 1 1 5   19  38 f 20.45432 5.962317  26.36140       86.02723 169.6780       
139.3462 -61.90259      109.3550 25.73682 9.607179 15.17182 7.063924 10.56500 
11.92463 
1 1 1 5   19  39 o 22.27780 6.205251  113.1292       86.16721 170.2959       
129.1696 67.29218       115.6637 24.86848 9.256329 19.68711 8.266858 5.181374 
12.41050 
1 1 1 5   19  40 o 57.23044 4.230553  793.4161       101.2098 787.7891       
149.3725 798.1920       137.6139 56.65519 6.279889 57.80569 5.670389 -1.150501 
8.461106 
1 1 1 5   20  0  f 131.6539 3.041194  3644.677       168.0957 0.000000       
0.000000 3644.677       168.0957 ?        ?        131.6539 3.041194 ? ? 
1 1 1 5   20  1  f 119.6434 2.340063  3055.251       106.5084 2903.687       
195.6454 3119.089       126.9727 117.4546 3.967534 121.8322 2.482387 -4.377571 
4.680125 
1 1 1 5   20  2  o 79.42413 1.820230  1322.020       60.56638 1450.122       
87.97594 1206.603       83.50631 83.07350 2.522449 75.77477 2.624918 7.298729 
3.640459 
1 1 1 5   20  3  o 60.11904 1.875999  759.1662       47.33460 747.9534       
65.92471 771.0982       68.00627 59.66150 2.631935 60.57658 2.674024 
-0.9150734     3.751997 
1 1 1 5   20  4  o 49.04982 2.076121  505.7896       42.72897 526.2813       
60.50203 485.3981       60.35404 50.04241 2.879737 48.05724 2.991359 1.985168 
4.152242 
1 1 1 5   20  5  o 99.23251 1.838111  2069.748       76.54055 2000.358       
108.4524 2138.610       108.0382 97.57311 2.647463 100.8919 2.550598 -3.318794 
3.676223 
1 1 1 5   20  6  o 178.6404 2.275604  6678.250       149.4502 6768.930       
294.8370 6646.894       173.3740 179.3969 3.914608 177.8840 2.321497 1.512878 
4.551209 
1 1 1 5   20  7  o 116.2249 1.895904  2823.802       91.93496 2961.273       
139.2674 2717.627       122.3924 118.7149 2.794251 113.7350 2.563195 4.979881 
3.791808 
1 1 1 5   20  8  o 311.3124 4.422431  20258.52       560.8353 19709.05       
707.3520 21188.65       920.3131 305.8456 5.508766 316.7791 6.919904 -10.93350 
8.844862 
1 1 1 5   20  9  o 111.7327 3.159425  2623.873       148.2066 0.000000       
0.000000 2623.873       148.2066 ?        ?        111.7327 3.159425 ? ? 
1 1 1 5   20  10 o 150.8880 3.668379  4784.522       213.2982 4768.124       
255.0572 4822.670       389.0112 150.5590 4.035078 151.2169 6.127493 
-0.6578827     7.336758 
1 1 1 5   20  11 o 151.9154 2.680424  4546.108       122.6893 4421.169       
132.3846 5306.580       326.6110 145.0815 2.173434 158.7493 4.900497 -13.66779 
5.360847 
1 1 1 5   20  12 o 149.9810 3.796199  4731.110       239.0364 4731.110       
239.0364 0.000000       0.000000 149.9810 3.796199 ?        ?        ? ? 
1 1 1 5   20  13 o 129.3344 2.076618  3486.358       112.1528 3795.327       
169.6933 3246.724       149.4452 134.3761 3.007903 124.2928 2.863894 10.08327 
4.153236 
1 1 1 5   20  14 o 120.5005 2.102280  3051.445       106.3329 3019.233       
148.5824 3085.261       152.2392 119.8498 2.952915 121.1511 2.993094 -1.301231 
4.204559 
1 1 1 5   20  15 o 86.68199 1.918428  1564.531       69.37518 1456.091       
92.03027 1707.260       105.5827 83.23830 2.633471 90.12569 2.790393 -6.887383 
3.836856 
1 1 1 5   20  16 o 141.2054 1.956576  4169.686       115.0743 4029.072       
152.3084 4356.717       175.6570 138.4558 2.620197 143.9550 2.906429 -5.499237 
3.913152 
1 1 1 5   20  17 o 181.0312 1.991873  6884.336       151.3187 6695.479       
210.1357 7087.742       218.0791 178.4558 2.804724 183.6065 2.829092 -5.150650 
3.983747 
1 1 1 5   20  18 o 82.13463 1.996480  1412.491       68.66416 1337.516       
93.07246 1502.034       101.7134 79.75546 2.779597 84.51380 2.866631 -4.758347 
3.992960 
1 1 1 5   20  19 o 158.4339 2.396695  5284.610       159.2665 5263.178       
230.0760 5304.330       220.6907 158.1155 3.465915 158.7524 3.311197 
-0.6368713     4.793390 
1 1 1 5   20  20 o 307.0086 2.470670  19853.73       317.5748 19778.74       
466.2810 19918.63       433.7215 306.4306 3.624405 307.5865 3.358650 -1.155945 
4.941339 
1 1 1 5   20  21 o 119.9017 1.959386  3024.386       98.62115 2965.967       
139.3426 3083.022       139.6005 118.7393 2.795185 121.0641 2.746582 -2.324875 
3.918772 
1 1 1 5   20  22 o 126.2052 2.123723  3350.914       112.4922 3236.610       
157.8576 3468.853       160.3477 124.0160 3.031857 128.3943 2.974664 -4.378296 
4.247445 
1 1 1 5   20  23 o 22.33805 4.816148  98.93650       53.44802 163.0539       
76.04613 36.34483       75.13592 27.17023 6.699980 17.50587 6.920361 9.664370 
9.632296 
1 1 1 5   20  24 o 117.8975 1.968321  2918.448       97.23140 2840.338       
132.6650 3009.098       142.9187 116.2022 2.719337 119.5927 2.846462 -3.390533 
3.936641 
1 1 1 5   20  25 o 23.22617 4.666435  112.1375       50.86742 175.3192       
73.41338 53.79329       70.54702 28.17591 6.356976 18.27644 6.833105 9.899467 
9.332870 
1 1 1 5   20  26 o 88.59224 2.256980  1647.039       83.63847 1459.793       
114.7146 1859.538       122.2058 83.22879 3.282964 93.95568 3.098060 -10.72689 
4.513960 
1 1 1 5   20  27 o 87.91864 2.080544  1628.845       76.78846 1622.218       
109.2168 1635.324       107.9843 87.73921 2.964945 88.09807 2.919546 
-0.3588562     4.161088 
1 1 1 5   20  28 o 42.46332 3.627988  389.9359       63.31001 302.9956       
90.37296 473.7207       88.71774 37.66988 5.714329 47.25676 4.471648 -9.586872 
7.255977 
1 1 1 5   20  29 f 32.57068 4.111399  231.9073       54.73788 216.8662       
79.57313 245.4179       75.41615 31.23958 6.288006 33.90179 5.298621 -2.662207 
8.222797 
1 1 1 5   20  30 o 27.16344 6.133335  156.1081       86.73695 43.77390       
131.3962 242.8616       115.4703 21.74795 8.946267 32.57893 8.392586 -10.83098 
12.26667 
1 1 1 5   20  31 o 23.03547 6.249878  87.93437       84.49169 95.78951       
127.8481 81.84325       112.5812 23.78747 9.117104 22.28347 8.551161 1.504002 
12.49976 
1 1 1 5   20  32 o 78.63062 3.079285  1309.378       101.0514 1511.729       
152.1505 1149.677       135.1686 84.01888 4.313377 73.24235 4.395767 10.77654 
6.158570 
1 1 1 5   20  33 o 31.87307 5.808197  237.9233       78.36703 278.3735       
116.2106 204.1866       106.1296 34.32545 8.170621 29.42068 8.257215 4.904774 
11.61639 
1 1 1 5   20  34 o 53.89117 4.307653  639.1863       96.76015 755.7057       
143.7796 542.7308       130.8162 58.45115 5.859023 49.33118 6.316277 9.119968 
8.615306 
1 1 1 5   20  35 o 49.15452 4.839015  549.7614       95.32610 713.4575       
141.9962 415.4587       128.6174 56.46451 5.989938 41.84454 7.601639 14.61997 
9.678031 
1 1 1 5   20  36 o 39.48402 5.807318  389.7476       94.51328 289.9456       
138.0138 477.8845       129.6975 33.45466 9.424906 45.51337 6.787558 -12.05871 
11.61464 
1 1 1 5   20  37 o 46.14171 5.068410  504.1824       97.80499 504.9329       
144.4509 503.5471       132.9038 45.93160 7.490826 46.35183 6.829542 
-0.4202271     10.13682 
1 1 1 5   20  38 o 28.25072 6.559007  217.6418       89.87581 202.9105       
141.2249 227.6692       116.5164 27.31970 9.737082 29.18174 8.790421 -1.862034 
13.11801 
1 1 1 5   20  39 o 34.60475 6.522960  349.1373       97.56081 301.3795       
144.7035 388.9381       132.0999 31.53240 9.857183 37.67710 8.545875 -6.144699 
13.04592 
1 1 1 5   21  0  o 33.00853 3.860473  229.5092       53.49899 0.000000       
0.000000 229.5092       53.49899 ?        ?        33.00853 3.860473 ? ? 
1 1 1 5   21  1  o 74.32111 2.160255  1155.378       61.43606 1177.490       
113.7505 1146.271       72.99877 74.79028 3.622673 73.85194 2.354370 0.9383469 
4.320511 
1 1 1 5   21  2  o 106.4517 1.723535  2371.666       76.40411 2456.923       
116.5515 2307.419       101.1759 108.1155 2.567740 104.7880 2.299783 3.327538 
3.447070 
1 1 1 5   21  3  o 30.19081 2.944644  192.1987       37.23738 207.8225       
52.77111 176.7040       52.55277 31.41816 4.000706 28.96348 4.321814 2.454679 
5.889289 
1 1 1 5   21  4  o 118.9235 1.918176  2972.094       95.76237 2923.036       
134.4199 3022.652       136.4600 117.9271 2.715008 119.9200 2.710411 -1.992889 
3.836351 
1 1 1 5   21  5  o 97.61461 1.906244  1997.175       77.92264 1930.936       
105.8135 2075.660       115.1799 95.85390 2.629373 99.37531 2.760700 -3.521400 
3.812488 
1 1 1 5   21  6  f 101.2955 1.900830  2126.599       79.27563 2304.027       
127.1256 2013.696       101.4089 104.6959 2.892174 97.89522 2.467377 6.800652 
3.801660 
1 1 1 5   21  7  f 172.5872 2.139182  6202.214       144.8394 6427.570       
257.4478 6097.854       175.1952 174.8169 3.507736 170.3575 2.449526 4.459381 
4.278363 
1 1 1 5   21  8  o 202.3287 3.213204  8622.402       272.7734 8567.293       
392.0810 8674.097       379.7350 201.6897 4.630342 202.9676 4.456306 -1.277832 
6.426409 
1 1 1 5   21  9  o 164.1621 2.962899  5679.756       203.3430 5587.673       
300.4091 5757.624       276.2487 162.9107 4.392225 165.4135 3.977869 -2.502808 
5.925798 
1 1 1 5   21  10 o 64.21111 2.319904  870.2130       62.19486 765.6592       
88.01084 974.5102       87.90288 60.33743 3.474325 68.08480 3.075204 -7.747372 
4.639808 
1 1 1 5   21  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   21  12 f 38.69048 4.017432  318.8626       62.03297 424.0201       
91.98829 231.1564       84.00940 44.85548 4.884702 32.52547 6.379554 12.33001 
8.034863 
1 1 1 5   21  13 o 92.09685 2.064685  1778.463       78.86066 1753.957       
103.4148 1812.514       121.9036 91.35072 2.696447 92.84296 3.127437 -1.492241 
4.129369 
1 1 1 5   21  14 o 121.1541 1.767478  3079.095       89.78928 3193.991       
131.0467 2977.428       123.2721 123.2786 2.531974 119.0295 2.466784 4.249146 
3.534957 
1 1 1 5   21  15 o 98.13148 1.930782  2023.138       79.37687 2005.456       
108.5447 2043.465       116.3756 97.67518 2.646949 98.58778 2.811642 
-0.9125977     3.861563 
1 1 1 5   21  16 o 76.75301 1.968234  1225.669       63.08511 1401.335       
94.79121 1086.006       84.52109 81.63864 2.765625 71.86738 2.801266 9.771263 
3.936467 
1 1 1 5   21  17 o 123.6842 1.995967  3218.446       103.6008 3303.409       
145.8806 3131.992       147.1551 125.3357 2.772324 122.0326 2.872238 3.303078 
3.991933 
1 1 1 5   21  18 o 40.36000 2.944122  343.8557       49.77660 317.0677       
70.30038 370.7880       70.48947 38.77505 4.318435 41.94495 4.002817 -3.169899 
5.888244 
1 1 1 5   21  19 f 49.63725 2.601205  518.7255       53.89295 597.0809       
77.80762 446.4683       74.71847 53.24733 3.480530 46.02717 3.866649 7.220161 
5.202410 
1 1 1 5   21  20 o 178.2505 2.197828  6590.857       158.6508 6337.306       
197.8736 7047.234       265.4704 173.5757 2.715314 182.9254 3.456712 -9.349686 
4.395655 
1 1 1 5   21  21 o 188.6035 2.680583  7480.988       212.0171 7172.817       
291.5431 7826.907       308.8826 184.4946 3.763918 192.7125 3.817726 -8.217865 
5.361167 
1 1 1 5   21  22 o 249.0134 3.001924  13064.98       313.6266 12684.66       
433.9639 13480.82       453.7688 245.2326 4.214989 252.7941 4.275517 -7.561508 
6.003847 
1 1 1 5   21  23 o 206.4721 2.274795  8977.797       197.1036 8704.091       
279.4191 9248.885       278.0789 203.3282 3.273252 209.6159 3.159839 -6.287628 
4.549589 
1 1 1 5   21  24 o 234.9923 2.509250  11598.28       244.8051 11395.07       
321.7334 11877.70       377.2758 232.6156 3.294415 237.3691 3.785784 -4.753433 
5.018499 
1 1 1 5   21  25 o 61.10401 2.620986  787.4554       67.23112 801.4168       
95.19865 773.5638       94.96013 61.64652 3.678267 60.56150 3.734786 1.085018 
5.241973 
1 1 1 5   21  26 o 76.01024 2.264354  1219.262       72.15765 1250.446       
100.2476 1185.735       103.9455 77.02989 3.099814 74.99059 3.301566 2.039299 
4.528707 
1 1 1 5   21  27 o 39.77530 3.997533  350.1242       62.32680 239.6205       
87.93337 461.6900       88.35495 32.88368 6.601827 46.66692 4.509650 -13.78323 
7.995065 
1 1 1 5   21  28 o 87.83272 2.375222  1630.007       87.57235 1645.807       
123.1162 1613.826       124.5889 88.26969 3.322192 87.39574 3.395551 0.8739548 
4.750444 
1 1 1 5   21  29 f 116.2522 2.171285  2855.948       105.9077 2744.876       
149.9477 2966.515       149.6053 113.9808 3.133497 118.5236 3.006513 -4.542809 
4.342571 
1 1 1 5   21  30 o 78.07683 3.530226  1304.353       114.2679 1307.556       
176.0468 1302.021       150.2097 78.04057 5.373147 78.11308 4.580314 
-0.7250214E-01 7.060452 
1 1 1 5   21  31 o 40.20697 5.476116  371.3134       89.42704 314.7115       
133.3998 417.5107       120.5170 36.71099 8.763999 43.70295 6.568388 -6.991959 
10.95223 
1 1 1 5   21  32 o 21.21861 5.753588  66.49784       76.90597 -16.45883      
117.8215 128.0801       101.5142 18.11014 7.980154 24.32709 8.290491 -6.216955 
11.50718 
1 1 1 5   21  33 o 46.04668 4.671345  462.5391       89.38327 549.7986       
138.5547 400.3382       116.9803 49.67627 6.643446 42.41710 6.568902 7.259178 
9.342690 
1 1 1 5   21  34 o 32.57231 5.829020  253.8331       79.82563 293.9768       
118.6364 220.6227       107.9060 34.92333 8.218869 30.22128 8.268015 4.702049 
11.65804 
1 1 1 5   21  35 o 78.81902 3.520243  1345.121       114.9102 1494.302       
181.0785 1244.543       148.6836 82.22301 5.245592 75.41503 4.695979 6.807976 
7.040487 
1 1 1 5   21  36 o 36.77115 5.655934  330.3039       84.41153 363.9824       
127.7709 304.2205       112.4443 38.33691 8.179650 35.20539 7.813557 3.131519 
11.31187 
1 1 1 5   21  37 o 42.66342 5.606557  442.7002       97.09086 592.5721       
145.6432 322.8229       130.2561 50.11678 6.921943 35.21006 8.821600 14.90672 
11.21311 
1 1 1 5   21  38 o 62.38351 4.201403  902.7230       108.8989 929.5118       
166.9697 882.8922       143.6585 62.76500 6.336381 62.00202 5.518823 0.7629776 
8.402805 
1 1 1 5   21  39 o 44.65274 4.755435  493.2460       88.88985 498.1888       
130.7045 488.9926       121.2462 44.59790 6.980669 44.70759 6.459635 
-0.1096916     9.510869 
1 1 1 5   22  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   22  1  o 148.0261 2.673150  4703.888       160.5223 4248.378       
255.8130 4999.741       206.1633 141.9242 4.293259 154.1279 3.186040 -12.20363 
5.346300 
1 1 1 5   22  2  o 40.98685 2.128235  353.3602       36.56013 326.2573       
51.14521 381.6804       52.28117 39.37742 3.093704 42.59627 2.923445 -3.218845 
4.256469 
1 1 1 5   22  3  o 119.6899 1.819360  2979.316       89.60984 3171.212       
143.4722 2856.576       114.7430 122.8003 2.782849 116.5795 2.344364 6.220711 
3.638721 
1 1 1 5   22  4  o 128.9769 1.944098  3497.262       104.8122 3503.269       
155.7229 3492.287       141.7186 129.0683 2.873784 128.8855 2.619051 0.1827393 
3.888195 
1 1 1 5   22  5  o 24.16208 3.725363  124.5224       38.26820 71.04905       
52.13080 187.0115       56.35443 18.53976 5.933197 29.78440 4.506717 -11.24463 
7.450726 
1 1 1 5   22  6  o 48.27707 2.304969  488.6320       46.59324 468.9031       
63.17116 512.1693       68.99950 47.21430 3.186885 49.33984 3.330959 -2.125546 
4.609937 
1 1 1 5   22  7  f 93.30842 1.932067  1828.441       75.32471 1849.128       
112.4432 1811.600       101.4530 93.78041 2.855894 92.83643 2.602960 0.9439850 
3.864134 
1 1 1 5   22  8  f 83.98340 1.949167  1482.300       68.71094 1503.717       
98.43474 1461.948       95.95652 84.57414 2.772246 83.39265 2.740740 1.181496 
3.898334 
1 1 1 5   22  9  o 173.6445 2.757736  6342.566       200.1341 6403.901       
298.1943 6292.292       269.9705 174.3849 4.072973 172.9041 3.719049 1.480759 
5.515472 
1 1 1 5   22  10 o 195.1338 3.750132  8044.343       306.6758 8186.033       
423.4761 7888.084       444.7129 196.9780 5.120733 193.2895 5.480151 3.688522 
7.500264 
1 1 1 5   22  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   22  12 o 107.3858 2.788428  2421.936       125.1287 2491.938       
187.3090 2365.519       168.1541 108.7697 4.101775 106.0020 3.778459 2.767746 
5.576855 
1 1 1 5   22  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   22  14 o 47.40853 3.373900  473.5883       67.08468 444.4648       
93.25222 504.8272       96.57936 45.89633 4.839520 48.92073 4.702322 -3.024406 
6.747799 
1 1 1 5   22  15 o 52.30267 2.420420  575.6595       53.14179 585.6607       
75.89414 566.0392       74.43478 52.74807 3.427068 51.85726 3.418908 0.8908081 
4.840839 
1 1 1 5   22  16 o 50.51783 2.442680  536.0737       51.74709 505.5353       
71.32343 570.0153       75.19265 49.00165 3.466910 52.03401 3.441986 -3.032364 
4.885359 
1 1 1 5   22  17 o 82.60269 2.048619  1420.879       70.66734 1291.455       
94.25635 1587.014       106.7906 78.35262 2.865353 86.85277 2.928669 -8.500145 
4.097237 
1 1 1 5   22  18 o 96.89023 1.818874  1963.373       73.70033 1858.631       
99.06286 2093.215       110.2957 94.01612 2.509745 99.76434 2.633323 -5.748222 
3.637748 
1 1 1 5   22  19 o 115.0256 2.077376  2784.032       100.3187 2776.210       
142.1365 2791.797       141.6093 114.8637 2.947432 115.1875 2.928245 
-0.3237839     4.154753 
1 1 1 5   22  20 o 99.11110 1.913501  2065.356       79.59441 2142.813       
113.6605 1990.819       111.4977 100.9356 2.682169 97.28659 2.729819 3.649025 
3.827002 
1 1 1 5   22  21 o 22.78143 4.897863  109.0531       52.46784 73.53424       
74.28887 144.4039       74.11292 19.94986 7.066956 25.61301 6.783390 -5.663155 
9.795726 
1 1 1 5   22  22 o 119.6996 2.171288  3012.039       108.6738 3053.110       
161.6071 2978.135       146.8295 120.4307 3.196275 118.9685 2.939694 1.462196 
4.342577 
1 1 1 5   22  23 o 132.4672 1.923983  3677.175       106.7302 3499.399       
144.7828 3888.768       157.9544 128.9790 2.673738 135.9553 2.767303 -6.976273 
3.847965 
1 1 1 5   22  24 o 21.21372 4.956948  91.10461       52.39868 115.7234       
70.72557 61.14925       78.01546 23.12277 6.823516 19.30468 7.192008 3.818092 
9.913897 
1 1 1 5   22  25 o 94.26975 2.062228  1845.642       81.04514 1635.781       
107.3796 2123.438       123.5429 88.13084 2.902116 100.4087 2.930675 -12.27782 
4.124455 
1 1 1 5   22  26 o 122.9949 2.292236  3191.582       118.3252 3216.837       
165.5811 3165.227       169.1503 123.5010 3.193461 122.4888 3.289254 1.012184 
4.584472 
1 1 1 5   22  27 o 90.49775 2.314769  1728.880       87.91669 1666.393       
123.5328 1793.012       125.1489 88.83485 3.312225 92.16064 3.234467 -3.325790 
4.629537 
1 1 1 5   22  28 o 105.3161 2.029593  2318.453       89.31968 2096.344       
119.7062 2597.437       134.1600 99.68025 2.860413 110.9520 2.880110 -11.27176 
4.059186 
1 1 1 5   22  29 o 166.0067 4.283108  5942.577       295.7054 5908.416       
448.9705 5968.749       392.9813 165.2822 6.470126 166.7312 5.614048 -1.448975 
8.566216 
1 1 1 5   22  30 o 108.2159 3.176475  2500.610       143.7056 2509.120       
213.3550 2493.544       194.4227 108.2995 4.692427 108.1323 4.282651 0.1672363 
6.352950 
1 1 1 5   22  31 o 71.08553 3.605843  1095.922       106.9393 1000.901       
155.2180 1181.779       147.5436 68.00660 5.436408 74.16445 4.738552 -6.157852 
7.211686 
1 1 1 5   22  32 o 81.63728 3.063850  1441.003       103.6858 1367.146       
157.2250 1497.844       137.9300 79.60680 4.704272 83.66777 3.926644 -4.060974 
6.127700 
1 1 1 5   22  33 o 28.41224 6.066988  190.1049       87.48699 65.76743       
131.4796 288.8993       117.1988 22.01963 8.985210 34.80485 8.154716 -12.78522 
12.13398 
1 1 1 5   22  34 o 45.98907 5.072309  519.6475       88.38728 302.8251       
129.1782 710.5143       121.1999 35.05919 8.785761 56.91895 5.071852 -21.85975 
10.14462 
1 1 1 5   22  35 o 73.13431 3.200863  1175.495       97.68980 1071.653       
141.3094 1270.554       135.2014 69.82912 4.820095 76.43950 4.212931 -6.610382 
6.401727 
1 1 1 5   22  36 o 20.11661 6.069542  39.35628       91.09837 6.029598       
136.3064 66.25912       122.4671 19.33584 8.543575 20.89739 8.623496 -1.561550 
12.13908 
1 1 1 5   22  37 o 66.25595 4.053217  996.7973       111.5788 1201.593       
164.0296 820.4214       152.2234 72.89235 5.359957 59.61955 6.081542 13.27280 
8.106435 
1 1 1 5   22  38 o 41.00987 5.802513  435.0200       96.09931 481.0111       
143.7201 397.8293       129.2401 42.95184 8.264895 39.06790 8.146665 3.883938 
11.60503 
1 1 1 5   22  39 o 60.50684 4.024399  870.7535       101.2902 874.8232       
153.4827 867.6135       134.8175 60.12764 6.080037 60.88604 5.274115 
-0.7584076     8.048798 
1 1 1 5   23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   23  1  o 161.1695 2.140079  5462.639       142.0321 5446.945       
183.6441 5486.000       224.0584 160.9207 2.718230 161.4182 3.306205 
-0.4975433     4.280159 
1 1 1 5   23  2  o 50.32961 1.932814  532.8556       40.82351 533.8508       
56.94304 531.8033       58.55711 50.37950 2.692204 50.27971 2.774009 
0.9978485E-01  3.865629 
1 1 1 5   23  3  o 102.2446 1.853505  2150.971       77.12355 2017.396       
96.47116 2387.529       128.3815 97.96012 2.345683 106.5291 2.870486 -8.568939 
3.707010 
1 1 1 5   23  4  o 78.83759 1.913551  1307.993       63.29465 1355.388       
89.19659 1259.922       89.83109 80.28027 2.646431 77.39492 2.764619 2.885345 
3.827102 
1 1 1 5   23  5  o 135.1275 2.326976  3841.589       131.8448 3806.738       
181.5609 3880.469       191.7711 134.4879 3.215588 135.7672 3.364412 -1.279358 
4.653953 
1 1 1 5   23  6  o 123.7157 2.071665  3211.413       106.2083 3169.158       
139.0021 3270.686       164.6319 122.7603 2.697022 124.6710 3.145354 -1.910683 
4.143329 
1 1 1 5   23  7  o 157.7328 2.384711  5230.341       157.7208 5112.104       
216.7289 5363.456       229.9605 155.8479 3.312356 159.6178 3.431571 -3.769943 
4.769421 
1 1 1 5   23  8  o 33.92168 3.340523  245.3984       45.29954 320.9910       
66.78593 180.9884       61.64848 39.02715 4.076048 28.81621 5.293600 10.21094 
6.681046 
1 1 1 5   23  9  o 79.82205 1.993003  1330.040       65.21149 1385.276       
105.1429 1295.510       83.13233 81.14399 3.086348 78.50012 2.522439 2.643867 
3.986006 
1 1 1 5   23  10 o 36.55446 4.043532  289.9087       59.83430 245.9218       
86.21017 330.7906       83.11181 33.52914 6.354875 39.57978 5.001617 -6.050644 
8.087064 
1 1 1 5   23  11 o 132.2343 5.717806  3699.211       317.4332 3699.211       
317.4332 0.000000       0.000000 132.2343 5.717806 ?        ?        ? ? 
1 1 1 5   23  12 o 52.39276 3.009514  577.2822       65.95733 511.5468       
90.98201 650.0979       95.75653 49.24921 4.400249 55.53631 4.106884 -6.287098 
6.019027 
1 1 1 5   23  13 o 120.1410 2.773191  3044.046       139.6867 2857.943       
197.3816 3230.773       197.7124 116.4455 4.037430 123.8364 3.802829 -7.390877 
5.546381 
1 1 1 5   23  14 o 88.50981 3.802227  1650.588       141.2890 0.000000       
0.000000 1650.588       141.2890 ?        ?        88.50981 3.802227 ? ? 
1 1 1 5   23  15 o 149.4933 5.040012  4722.821       316.3241 4722.821       
316.3241 0.000000       0.000000 149.4933 5.040012 ?        ?        ? ? 
1 1 1 5   23  16 o 76.66499 3.029918  1207.547       96.23981 1020.715       
124.9081 1480.493       150.9743 69.55875 4.277205 83.77125 4.292685 -14.21250 
6.059837 
1 1 1 5   23  17 o 90.17407 1.977044  1706.525       74.40111 1674.813       
99.49635 1746.750       112.0584 89.23550 2.655771 91.11264 2.929454 -1.877136 
3.954089 
1 1 1 5   23  18 o 41.20799 3.029719  361.7867       51.50035 442.2353       
73.22119 283.0239       72.44991 45.80827 3.807273 36.60772 4.713964 9.200554 
6.059437 
1 1 1 5   23  19 o 164.5606 2.295915  5689.093       158.4500 5965.312       
230.6492 5442.236       218.0459 168.3330 3.263650 160.7882 3.230091 7.544815 
4.591830 
1 1 1 5   23  20 o 104.8883 1.938735  2306.180       85.22002 2139.617       
116.8487 2495.450       124.5591 100.8549 2.759613 108.9218 2.723841 -8.066917 
3.877470 
1 1 1 5   23  21 o 139.5562 2.027797  4105.241       118.5245 4231.209       
163.6450 3966.248       171.8972 141.8251 2.748341 137.2872 2.982358 4.537872 
4.055593 
1 1 1 5   23  22 o 167.1665 2.567595  5888.159       180.1398 5681.245       
253.2174 6100.181       256.3234 164.1858 3.673491 170.1472 3.588265 -5.961334 
5.135190 
1 1 1 5   23  23 o 98.95219 2.030163  2060.660       84.23914 2067.467       
122.2541 2054.507       116.2377 99.10141 2.938359 98.80296 2.802194 0.2984467 
4.060326 
1 1 1 5   23  24 o 32.54442 4.283319  242.7032       55.48594 323.9216       
75.75245 148.6918       81.50040 39.12307 4.611953 25.96577 7.219224 13.15729 
8.566639 
1 1 1 5   23  25 o 108.0389 1.869887  2461.203       84.65376 2520.781       
117.0447 2395.851       122.5843 109.4239 2.547772 106.6540 2.737656 2.769913 
3.739774 
1 1 1 5   23  26 o 121.1752 1.809121  3049.126       90.71457 3343.236       
143.2529 2852.232       117.2100 125.9596 2.708901 116.3908 2.398651 9.568810 
3.618242 
1 1 1 5   23  27 o 66.82668 2.481393  944.0212       69.60226 973.1536       
99.26595 915.8472       97.61961 67.84389 3.485063 65.80948 3.533212 2.034409 
4.962787 
1 1 1 5   23  28 o 70.82898 2.460980  1058.975       73.07064 1114.151       
106.9872 1010.735       100.0375 72.54819 3.512580 69.10976 3.447821 3.438423 
4.921959 
1 1 1 5   23  29 o 39.42646 5.403602  349.7719       87.14919 321.1946       
128.3402 374.2242       118.7167 37.39905 8.382444 41.45388 6.821311 -4.054832 
10.80720 
1 1 1 5   23  30 o 55.33311 3.716684  635.8506       84.73068 827.1425       
134.9059 511.2318       108.8866 61.97617 5.184745 48.69004 5.326667 13.28613 
7.433368 
1 1 1 5   23  31 o 87.94508 3.519250  1675.602       129.3995 1585.500       
188.3251 1756.186       178.0997 85.56406 5.242492 90.32610 4.696463 -4.762039 
7.038501 
1 1 1 5   23  32 o 59.59129 3.752554  775.0485       92.09580 593.4836       
126.9550 976.7222       133.8007 51.98993 5.816365 67.19264 4.743052 -15.20272 
7.505108 
1 1 1 5   23  33 o 96.39769 3.351266  2008.908       133.5954 2087.960       
209.2578 1954.519       173.5718 97.72567 5.100280 95.06972 4.348686 2.655952 
6.702531 
1 1 1 5   23  34 o 118.8398 2.786973  3032.173       137.6911 3173.956       
211.8546 2928.482       181.1743 121.0336 4.169201 116.6459 3.699544 4.387749 
5.573946 
1 1 1 5   23  35 o 55.47684 4.458385  725.8833       99.02744 529.8262       
146.9457 889.0024       134.0349 47.56851 7.357976 63.38517 5.036762 -15.81667 
8.916770 
1 1 1 5   23  36 o 29.39895 6.189446  223.2499       93.39882 77.85453       
139.3965 341.6966       125.8167 22.01463 9.149479 36.78326 8.338107 -14.76863 
12.37889 
1 1 1 5   23  37 o 78.42006 3.418102  1371.143       111.9442 1431.770       
168.4268 1323.168       149.8266 79.76453 5.029473 77.07560 4.630128 2.688927 
6.836204 
1 1 1 5   23  38 f 67.02572 4.132380  1072.005       113.8385 938.7430       
170.7403 1178.654       152.7429 62.32523 6.525191 71.72620 5.072291 -9.400970 
8.264760 
1 1 1 5   23  39 o 21.22784 6.126637  86.70143       86.77018 190.6558       
139.6306 21.30177       110.7508 25.16675 9.562108 17.28894 7.662169 7.877813 
12.25327 
1 1 1 5   24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   24  1  o 71.04883 1.775628  1059.503       52.91492 1013.552       
72.96512 1110.482       76.85209 69.42721 2.503264 72.67044 2.518947 -3.243233 
3.551256 
1 1 1 5   24  2  o 160.1925 2.083148  5392.455       139.8671 5514.321       
204.7055 5285.744       191.5528 161.8794 3.012027 158.5056 2.878492 3.373840 
4.166296 
1 1 1 5   24  3  o 68.85323 1.892834  985.0914       54.37264 1113.347       
82.65782 887.2639       72.18989 72.75473 2.706100 64.95174 2.647321 7.802994 
3.785668 
1 1 1 5   24  4  o 151.6781 2.333208  4839.611       148.4816 4954.849       
214.7217 4734.009       205.5481 153.4022 3.333997 149.9540 3.264949 3.448257 
4.666415 
1 1 1 5   24  5  o 231.4582 3.214499  11309.15       312.2654 11338.33       
447.6064 11281.47       435.8481 231.7333 4.600753 231.1832 4.490555 0.5500946 
6.428998 
1 1 1 5   24  6  o 105.9999 2.069806  2335.029       90.16927 2229.437       
115.0804 2502.938       145.1183 102.9558 2.662390 109.0440 3.169868 -6.088280 
4.139612 
1 1 1 5   24  7  o 86.11424 2.060539  1561.985       73.97988 1575.092       
99.19080 1545.554       111.0589 86.53397 2.730272 85.69453 3.086893 0.8394394 
4.121078 
1 1 1 5   24  8  o 286.3989 3.708936  17276.97       440.6510 16906.91       
577.3869 17793.18       681.9280 282.8905 4.861493 289.9072 5.602741 -7.016693 
7.417871 
1 1 1 5   24  9  o 80.77066 2.063195  1373.055       69.93844 1352.758       
99.78506 1392.653       98.05344 80.18079 2.964260 81.36053 2.870584 -1.179741 
4.126389 
1 1 1 5   24  10 f 220.7577 5.940958  10420.74       548.3853 10474.59       
813.6451 10375.92       742.3207 221.0974 8.765414 220.4179 8.021688 0.6794281 
11.88192 
1 1 1 5   24  11 o 80.01253 2.643773  1345.149       88.21075 1381.092       
133.4592 1317.265       117.5479 80.94338 3.927247 79.08167 3.540463 1.861717 
5.287546 
1 1 1 5   24  12 o 37.68645 4.146849  305.6579       63.81860 344.4826       
91.03624 268.1410       89.48988 40.35129 5.373756 35.02161 6.317290 5.329674 
8.293697 
1 1 1 5   24  13 o 139.5945 3.281090  4114.165       192.2656 4145.934       
274.6736 4083.647       269.2177 140.1176 4.669229 139.0714 4.610913 1.046265 
6.562181 
1 1 1 5   24  14 o 279.1840 6.162257  16708.78       720.8199 16621.82       
1051.650 16785.83       989.9340 278.3082 9.000491 280.0598 8.419312 -1.751617 
12.32451 
1 1 1 5   24  15 o 109.9760 2.949457  2551.397       136.1599 2577.979       
191.5124 2524.224       193.6232 110.5610 4.125873 109.3910 4.215964 1.170006 
5.898914 
1 1 1 5   24  16 f 135.0731 4.337090  3849.462       245.9498 0.000000       
0.000000 3849.462       245.9498 ?        ?        135.0731 4.337090 ? ? 
1 1 1 5   24  17 o 172.6142 4.909616  6272.313       341.4188 6115.003       
424.2611 6561.401       575.1364 169.8683 5.948974 175.3601 7.811979 -5.491867 
9.819232 
1 1 1 5   24  18 o 63.34812 2.715012  859.2088       68.09637 888.3467       
84.20528 804.1362       115.7652 64.96941 3.087106 61.72683 4.467094 3.242588 
5.430023 
1 1 1 5   24  19 o 107.9725 1.935105  2451.481       87.69477 2421.815       
122.3009 2482.874       125.8119 107.3021 2.714828 108.6428 2.758302 -1.340706 
3.870209 
1 1 1 5   24  20 o 186.3186 2.743675  7317.231       214.6024 7418.509       
305.7277 7218.862       301.3077 187.5889 3.881939 185.0482 3.878345 2.540680 
5.487350 
1 1 1 5   24  21 o 79.77536 2.149211  1337.928       71.90430 1253.156       
99.89352 1429.078       103.5829 77.15311 3.083933 82.39761 2.994294 -5.244492 
4.298423 
1 1 1 5   24  22 o 89.61975 2.104506  1684.360       78.91750 1614.562       
106.5130 1769.312       117.5077 87.57649 2.896918 91.66302 3.053466 -4.086525 
4.209013 
1 1 1 5   24  23 o 154.0479 1.970881  4951.952       126.0509 4715.790       
164.7394 5285.485       195.7772 149.6836 2.621467 158.4123 2.943706 -8.728638 
3.941763 
1 1 1 5   24  24 o 113.5676 2.253980  2719.577       107.4593 2668.424       
151.3466 2771.583       152.6021 112.4880 3.204701 114.6473 3.170426 -2.159317 
4.507961 
1 1 1 5   24  25 o 98.26913 2.270996  2038.199       93.67347 2020.211       
133.5230 2055.634       131.4499 97.83576 3.250720 98.70251 3.172146 
-0.8667450     4.541992 
1 1 1 5   24  26 o 64.05120 2.670840  858.2383       70.65651 663.0016       
94.90720 1100.998       105.8295 55.93541 4.041415 72.16698 3.492923 -16.23157 
5.341680 
1 1 1 5   24  27 o 87.94898 2.099314  1633.098       77.46066 1715.927       
110.2703 1552.410       108.8356 90.15987 2.913172 85.73809 3.023559 4.421783 
4.198628 
1 1 1 5   24  28 o 80.71322 2.536511  1364.122       84.35088 1466.460       
134.7466 1298.177       108.1663 83.10962 3.861779 78.31682 3.289713 4.792801 
5.073022 
1 1 1 5   24  29 o 20.90144 5.606063  15.48383       81.77043 -138.9695      
116.5380 165.2710       114.7641 14.53785 6.933678 27.26504 8.811122 -12.72719 
11.21213 
1 1 1 5   24  30 o 147.8435 3.288632  4694.449       204.1085 4611.852       
287.1798 4778.763       290.1491 146.5166 4.668615 149.1704 4.632973 -2.653748 
6.577264 
1 1 1 5   24  31 o 57.98905 4.098034  718.8306       97.98271 940.5528       
150.4259 555.4302       129.1351 65.71455 5.452329 50.26355 6.119447 15.45099 
8.196068 
1 1 1 5   24  32 o 22.86796 5.613400  91.33065       78.26826 -50.64823      
119.6612 197.4899       103.4715 16.92500 7.694960 28.81092 8.174879 -11.88592 
11.22680 
1 1 1 5   24  33 o 140.4428 3.217891  4252.819       186.8385 4484.708       
293.8228 4095.401       242.0876 143.2642 4.885050 137.6214 4.189936 5.642715 
6.435781 
1 1 1 5   24  34 o 44.46230 4.607359  444.1433       85.45753 507.2454       
129.7935 395.8549       113.5410 47.19663 6.550329 41.72797 6.481065 5.468655 
9.214718 
1 1 1 5   24  35 o 34.16204 6.060105  307.8103       89.17521 213.3432       
137.8787 375.7432       116.9222 28.77721 9.661965 39.54686 7.317507 -10.76965 
12.12021 
1 1 1 5   24  36 o 30.82549 5.979741  229.9453       78.29260 320.9647       
129.8629 177.9711       98.13233 35.10757 8.815742 26.54341 8.081577 8.564167 
11.95948 
1 1 1 5   24  37 o 22.46115 5.913552  110.6305       85.27631 -32.38415      
142.0730 191.1722       106.6183 18.01466 8.253557 26.90765 8.471079 -8.892984 
11.82710 
1 1 1 5   24  38 o 36.38973 5.681166  355.0686       81.56336 342.1709       
142.6241 361.3365       99.42632 33.98243 9.583432 38.79704 6.104131 -4.814602 
11.36233 
1 1 1 5   25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   25  1  o 125.2888 2.416163  3311.935       122.7213 3286.704       
201.3017 3326.859       154.8183 124.8505 3.840416 125.7271 2.933015 
-0.8766403     4.832326 
1 1 1 5   25  2  o 145.1398 2.295002  4446.391       139.4956 4700.738       
194.6216 4177.675       200.0434 149.4378 3.102070 140.8418 3.383090 8.595963 
4.590004 
1 1 1 5   25  3  o 173.2769 2.430501  6319.693       176.4524 6267.127       
241.4762 6379.921       258.4728 172.5209 3.333909 174.0328 3.537567 -1.511917 
4.861001 
1 1 1 5   25  4  o 103.9880 1.900613  2243.939       80.91663 2144.179       
102.5477 2408.529       131.7191 100.9858 2.418725 106.9901 2.932421 -6.004288 
3.801226 
1 1 1 5   25  5  o 90.98468 1.987152  1741.680       75.89424 1774.641       
107.2083 1708.569       107.4535 91.84975 2.780170 90.11961 2.840025 1.730148 
3.974304 
1 1 1 5   25  6  o 243.5217 3.257850  12520.79       333.0034 12474.56       
475.5516 12565.26       466.4560 243.0647 4.660117 243.9787 4.553862 
-0.9140320     6.515700 
1 1 1 5   25  7  o 47.88387 2.559678  482.0585       51.39284 501.5422       
75.02573 464.8339       70.54219 48.79165 3.662568 46.97610 3.576787 1.815556 
5.119357 
1 1 1 5   25  8  o 87.64381 1.925507  1608.254       70.58437 1535.271       
95.00158 1698.187       105.4580 85.43919 2.648468 89.84843 2.795698 -4.409233 
3.851015 
1 1 1 5   25  9  o 76.95613 2.485112  1247.185       80.21974 1243.753       
111.0575 1250.930       115.9995 76.85066 3.442082 77.06159 3.585414 
-0.2109299     4.970224 
1 1 1 5   25  10 o 142.1517 5.510797  4276.712       328.8860 4276.712       
328.8860 0.000000       0.000000 142.1517 5.510797 ?        ?        ? ? 
1 1 1 5   25  11 o 222.0468 4.709608  10482.61       433.5685 10419.57       
666.5898 10528.83       570.8093 221.2558 7.176043 222.8378 6.101314 -1.581909 
9.419215 
1 1 1 5   25  12 o 183.2240 3.658390  7103.987       280.5345 7020.409       
412.0567 7176.194       383.0057 182.1631 5.387877 184.2849 4.950359 -2.121796 
7.316781 
1 1 1 5   25  13 o 44.34293 3.603541  415.6797       67.07928 422.3668       
94.84474 408.9872       94.88415 44.70233 5.053638 43.98352 5.138363 0.7188148 
7.207082 
1 1 1 5   25  14 o 106.0324 2.846485  2343.341       125.9712 2110.534       
167.6374 2645.324       190.9263 100.0558 3.990706 112.0090 4.060071 -11.95322 
5.692970 
1 1 1 5   25  15 o 105.0113 2.921725  2295.795       127.2511 2510.804       
199.1287 2147.384       165.4387 109.0881 4.347879 100.9344 3.904081 8.153687 
5.843449 
1 1 1 5   25  16 o 159.6465 3.560483  5384.768       238.4418 5439.810       
345.0924 5334.484       329.8397 160.4073 5.124272 158.8856 4.944694 1.521729 
7.120966 
1 1 1 5   25  17 o 106.5924 2.927813  2388.601       130.7995 2219.489       
179.5210 2579.963       190.9660 102.5804 4.168426 110.6043 4.112491 -8.023956 
5.855626 
1 1 1 5   25  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   25  19 o 185.4052 4.175509  7277.510       323.9556 7450.958       
480.2570 7132.695       438.8259 187.3627 6.105365 183.4476 5.697722 3.915115 
8.351019 
1 1 1 5   25  20 o 103.2355 2.345791  2228.827       95.40581 2198.586       
115.9521 2292.212       167.8717 102.2206 2.701852 104.2505 3.835484 -2.029976 
4.691581 
1 1 1 5   25  21 o 73.67358 2.184925  1142.508       67.49174 1226.793       
96.79311 1062.752       94.15695 76.32185 3.020763 71.02533 3.157622 5.296516 
4.369850 
1 1 1 5   25  22 o 88.51133 2.190396  1641.991       81.16908 1500.918       
110.3767 1808.125       119.7799 84.39185 3.115285 92.63081 3.079991 -8.238953 
4.380793 
1 1 1 5   25  23 o 32.92014 4.187119  240.0577       55.60748 194.1849       
81.61257 279.8086       75.97179 29.53806 6.729076 36.30221 4.984715 -6.764149 
8.374237 
1 1 1 5   25  24 o 30.97880 4.530842  213.0740       57.00517 221.9125       
80.65020 204.2499       80.58480 31.66505 6.290096 30.29255 6.522944 1.372498 
9.061684 
1 1 1 5   25  25 o 80.31262 2.357804  1361.017       79.44723 1298.518       
110.2727 1428.471       114.5606 78.39544 3.350413 82.22980 3.318388 -3.834358 
4.715609 
1 1 1 5   25  26 o 117.1634 2.131377  2886.915       104.5218 2756.507       
141.3027 3044.484       155.3223 114.2691 2.945391 120.0578 3.081517 -5.788719 
4.262754 
1 1 1 5   25  27 o 134.1814 2.097752  3804.873       118.0670 3790.686       
170.4792 3817.951       163.6725 133.9215 3.032091 134.4413 2.899773 
-0.5198517     4.195505 
1 1 1 5   25  28 o 21.86637 6.044093  63.66474       80.26927 113.0945       
124.8421 28.82882       104.8046 24.57133 9.109062 19.16141 7.946649 5.409912 
12.08819 
1 1 1 5   25  29 o 47.20243 4.749074  518.0438       86.66380 372.5942       
130.6156 632.4352       115.8338 40.23117 8.017282 54.17369 5.092934 -13.94252 
9.498147 
1 1 1 5   25  30 o 85.89624 3.170363  1592.190       113.7624 1509.610       
166.5707 1664.383       155.7433 83.68117 4.741239 88.11131 4.210163 -4.430138 
6.340727 
1 1 1 5   25  31 o 26.29498 6.026253  158.0832       83.07976 51.63794       
130.7714 230.1214       107.5799 21.46571 8.887903 31.12426 8.140522 -9.658545 
12.05251 
1 1 1 5   25  32 o 116.2348 2.844650  2877.458       135.0009 3050.210       
220.5930 2774.013       170.7002 118.6803 4.427253 113.7893 3.573171 4.890984 
5.689299 
1 1 1 5   25  33 o 89.96449 3.235689  1780.571       115.5044 1712.832       
196.1638 1816.520       142.9038 88.06484 5.305634 91.86413 3.705263 -3.799286 
6.471377 
1 1 1 5   25  34 o 34.44477 5.919812  297.0665       83.08800 284.4169       
135.8649 304.6237       105.0143 33.22322 9.348514 35.66632 7.265121 -2.443104 
11.83962 
1 1 1 5   25  35 o 13.18237 4.569593  -173.9355      73.39311 -101.4438      
133.3785 -205.4175      87.89677 16.07707 7.568824 10.28767 5.122269 5.789407 
9.139187 
1 1 1 5   25  36 o 50.70465 4.276315  585.3056       84.41655 617.8762       
151.2178 570.5601       101.7464 50.85111 7.083100 50.55820 4.793452 0.2929153 
8.552630 
1 1 1 5   25  37 o 48.89870 4.494984  552.1925       86.93707 623.3707       
153.4236 518.5289       105.5112 50.25592 7.271532 47.54150 5.286240 2.714420 
8.989967 
1 1 1 5   25  38 o 40.35886 4.868822  383.9466       75.02911 494.5884       
137.8804 337.4019       89.42886 43.03151 7.929346 37.68622 5.652183 5.345295 
9.737643 
1 1 1 5   26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   26  1  o 28.61537 4.466029  173.2384       53.65372 0.000000       
0.000000 173.2384       53.65372 ?        ?        28.61537 4.466029 ? ? 
1 1 1 5   26  2  f 85.59239 1.951537  1541.326       70.07735 1625.263       
100.2259 1461.044       98.01961 87.87475 2.716670 83.31004 2.802442 4.564713 
3.903073 
1 1 1 5   26  3  o 106.7257 1.988527  2397.506       89.07922 2410.557       
124.8218 2383.959       127.1649 107.0251 2.777961 106.4263 2.846030 0.5987549 
3.977054 
1 1 1 5   26  4  o 156.3990 2.256223  5156.579       146.3726 5188.808       
192.9962 5112.938       224.5792 157.0136 2.927740 155.7845 3.433731 1.229065 
4.512446 
1 1 1 5   26  5  o 134.1923 2.235100  3793.180       125.7974 3839.819       
174.6880 3742.941       181.3053 135.0594 3.080772 133.3251 3.239063 1.734222 
4.470200 
1 1 1 5   26  6  o 134.7391 2.259581  3822.281       127.7998 3910.617       
181.0872 3734.625       180.3872 136.2940 3.164698 133.1843 3.226068 3.109634 
4.519163 
1 1 1 5   26  7  o 45.36897 2.840976  434.9641       53.99002 406.3123       
76.99976 462.6738       75.72308 43.88775 4.178950 46.85017 3.849800 -2.962421 
5.681952 
1 1 1 5   26  8  o 55.42876 2.425605  646.8027       56.40353 612.5578       
78.96408 682.4761       80.59418 53.92834 3.487656 56.92917 3.372018 -3.000832 
4.851211 
1 1 1 5   26  9  o 36.52165 5.260038  277.5374       71.56848 319.0295       
138.6370 262.4627       83.56407 37.83832 8.871703 35.20498 5.653750 2.633343 
10.52008 
1 1 1 5   26  10 o 22.11526 5.993746  39.45868       71.55522 1.720015       
82.84013 150.3599       142.0090 16.30408 6.927956 27.92644 9.782810 -11.62236 
11.98749 
1 1 1 5   26  11 o 78.15501 2.823788  1282.765       92.47092 1378.740       
135.9103 1200.042       126.1786 80.86534 4.003233 75.44469 3.983621 5.420647 
5.647575 
1 1 1 5   26  12 o 103.4210 2.574123  2249.235       111.6032 2328.023       
163.2600 2180.120       152.9094 105.1118 3.699555 101.7302 3.580186 3.381607 
5.148246 
1 1 1 5   26  13 o 48.14861 3.674417  490.2122       74.01933 546.1241       
106.2290 437.4484       103.1952 50.83149 4.977732 45.46574 5.406250 5.365742 
7.348834 
1 1 1 5   26  14 o 90.75731 2.818228  1734.492       107.2052 1774.655       
156.8965 1699.319       146.8261 91.73246 4.073909 89.78215 3.895241 1.950310 
5.636456 
1 1 1 5   26  15 o 45.00095 4.080191  432.6324       76.06776 351.9518       
107.4005 513.8427       107.7524 40.71721 6.282746 49.28468 5.207583 -8.567471 
8.160381 
1 1 1 5   26  16 o 155.9577 3.421473  5150.785       223.5813 4913.847       
321.3376 5373.132       311.2854 152.4335 5.021140 159.4820 4.649093 -7.048553 
6.842946 
1 1 1 5   26  17 o 107.3881 2.944019  2426.473       131.8331 2494.300       
199.5250 2373.919       175.6323 108.6867 4.372623 106.0895 3.943241 2.597214 
5.888037 
1 1 1 5   26  18 o 175.2391 3.815232  6496.677       279.9516 6361.993       
380.6368 6655.380       413.1859 173.3138 5.231169 177.1644 5.555076 -3.850662 
7.630465 
1 1 1 5   26  19 o 80.59820 3.190380  1383.057       107.1530 1217.596       
153.8917 1538.766       149.2876 75.84370 4.833001 85.35269 4.166079 -9.508987 
6.380761 
1 1 1 5   26  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   26  21 o 154.8955 3.866361  5057.130       245.9497 5315.848       
394.9897 4893.297       314.3201 157.9158 5.957736 151.8752 4.929541 6.040634 
7.732722 
1 1 1 5   26  22 o 106.8074 2.068944  2406.696       92.69469 2493.559       
130.1883 2317.385       132.0109 108.7749 2.850783 104.8399 2.999191 3.934990 
4.137887 
1 1 1 5   26  23 o 63.52037 2.463879  851.8322       65.66267 897.1096       
94.22045 809.0768       91.55881 65.16494 3.443914 61.87580 3.524523 3.289143 
4.927759 
1 1 1 5   26  24 o 30.77057 4.443969  211.1173       56.42137 141.1465       
79.65242 281.5803       79.93204 25.21062 7.178643 36.33052 5.240471 -11.11990 
8.887938 
1 1 1 5   26  25 o 16.74954 4.851054  22.65938       54.58948 8.366932       
77.52188 36.71775       76.88443 15.98592 6.742855 17.51315 6.976017 -1.527229 
9.702108 
1 1 1 5   26  26 o 128.6836 1.999976  3494.642       107.7407 3467.743       
146.6569 3526.180       158.8037 128.1733 2.725374 129.1938 2.927790 -1.020554 
3.999952 
1 1 1 5   26  27 o 20.05325 5.374835  63.52266       61.21692 89.08795       
97.47335 46.87098       78.66647 21.93374 8.062148 18.17276 7.110357 3.760984 
10.74967 
1 1 1 5   26  28 o 114.9889 3.192035  2782.349       138.9326 2948.965       
263.7940 2718.393       163.4368 116.8482 5.377296 113.1296 3.441079 3.718643 
6.384069 
1 1 1 5   26  29 o 22.38445 5.902103  71.71912       71.51339 161.8889       
128.0967 30.89047       86.19656 27.06840 9.309433 17.70049 7.257668 9.367907 
11.80421 
1 1 1 5   26  30 o 75.55586 3.122674  1161.235       91.14029 1408.008       
171.8605 1064.680       107.5020 80.51476 5.084190 70.59698 3.627035 9.917778 
6.245348 
1 1 1 5   26  31 o 91.65703 2.970743  1787.412       104.4838 1872.288       
193.1745 1752.314       124.2226 92.69238 4.963943 90.62167 3.265047 2.070709 
5.941487 
1 1 1 5   26  32 o 61.97750 3.571101  858.7232       85.60381 797.1558       
150.7816 888.0063       103.9875 59.75099 6.010690 64.20402 3.857804 -4.453026 
7.142202 
1 1 1 5   26  33 o 19.32758 5.718723  22.23539       73.56915 102.9290       
131.3607 -14.64205      88.80273 23.20649 9.157802 15.44868 6.851995 7.757818 
11.43745 
1 1 1 5   26  34 o 24.13442 6.019946  139.2002       75.51942 97.86926       
133.8702 158.4928       91.46219 22.81705 9.160742 25.45179 7.812797 -2.634745 
12.03989 
1 1 1 5   26  35 o 80.45294 3.266078  1455.662       101.4463 1370.381       
179.7076 1495.550       122.9015 77.81864 5.500522 83.08725 3.523253 -5.268608 
6.532155 
1 1 1 5   26  36 o 32.02521 5.768893  283.4478       80.11924 191.9475       
141.8718 326.2933       97.08176 26.70781 9.735273 37.34261 6.192329 -10.63480 
11.53779 
1 1 1 5   26  37 o 57.24956 4.068551  806.6064       88.66333 665.0775       
152.1931 879.3170       109.0866 51.75243 7.004630 62.74669 4.140965 -10.99425 
8.137102 
1 1 1 5   26  38 o 19.62298 6.216685  49.98937       99.89326 -121.2451      
236.4551 87.18951       110.2111 19.27773 9.345817 19.96824 8.200270 
-0.6905117     12.43337 
1 1 1 5   27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   27  1  o 119.8177 2.815978  3025.925       141.6541 0.000000       
0.000000 3025.925       141.6541 ?        ?        119.8177 2.815978 ? ? 
1 1 1 5   27  2  o 170.2594 2.257760  6078.314       157.6381 6281.071       
253.3913 5950.295       201.3444 172.4799 3.499245 168.0389 2.853979 4.440948 
4.515519 
1 1 1 5   27  3  o 53.06798 2.211934  594.1011       49.21227 632.3229       
69.76912 556.2550       69.42548 54.77452 3.033931 51.36143 3.219607 3.413094 
4.423868 
1 1 1 5   27  4  o 38.57877 2.821887  314.3578       45.68725 312.0546       
63.62206 316.8100       65.64864 38.43584 3.942688 38.72169 4.038243 
-0.2858467     5.643775 
1 1 1 5   27  5  o 129.0669 2.080742  3508.048       112.7440 3553.566       
160.1057 3463.274       158.7905 129.8983 2.935785 128.2355 2.949426 1.662857 
4.161484 
1 1 1 5   27  6  o 15.82027 4.455076  24.07236       44.83903 5.284288       
60.67110 46.68559       66.56135 14.19388 5.975014 17.44665 6.609842 -3.252770 
8.910151 
1 1 1 5   27  7  o 187.1457 2.818522  7420.973       220.3047 7043.285       
323.3938 7748.020       300.9331 182.6250 4.217863 191.6664 3.739772 -9.041367 
5.637043 
1 1 1 5   27  8  o 88.80807 2.407563  1659.150       89.52653 1697.549       
132.1344 1626.564       121.7246 89.74622 3.506878 87.86993 3.299583 1.876289 
4.815126 
1 1 1 5   27  9  o 146.4605 5.584226  4547.575       343.3700 0.000000       
0.000000 4547.575       343.3700 ?        ?        146.4605 5.584226 ? ? 
1 1 1 5   27  10 o 141.3249 2.914040  4216.085       172.8522 4146.231       
245.9187 4284.294       243.0072 140.1569 4.179247 142.4928 4.062069 -2.335892 
5.828080 
1 1 1 5   27  11 o 58.22318 3.075037  712.7098       74.85311 810.9571       
109.5193 626.5829       102.5415 61.98324 4.208597 54.46313 4.484542 7.520111 
6.150074 
1 1 1 5   27  12 o 93.46497 2.543969  1839.831       99.78455 1909.434       
143.2895 1774.296       139.0398 95.18119 3.585785 91.74876 3.609607 3.432434 
5.087938 
1 1 1 5   27  13 o 91.65279 2.713092  1771.125       104.3816 1807.421       
149.1191 1736.255       146.1609 92.57321 3.836798 90.73237 3.836986 1.840843 
5.426185 
1 1 1 5   27  14 o 155.6212 3.613675  5122.438       233.8050 5163.027       
356.9392 5091.936       309.4275 156.0705 5.447466 155.1720 4.749706 0.8984833 
7.227351 
1 1 1 5   27  15 o 20.77094 5.512326  37.02254       73.62469 -64.91662      
103.8384 140.0791       104.4060 15.65515 7.131112 25.88671 8.407746 -10.23156 
11.02465 
1 1 1 5   27  16 o 109.8955 2.936350  2569.448       134.4648 2328.392       
196.1007 2783.365       184.7319 104.9448 4.450811 114.8462 3.831303 -9.901337 
5.872699 
1 1 1 5   27  17 o 77.57072 2.970128  1265.391       96.49004 1378.314       
142.2877 1169.250       131.2899 80.75946 4.196574 74.38197 4.204213 6.377487 
5.940256 
1 1 1 5   27  18 f 153.6223 3.691202  5009.860       237.9019 4771.746       
334.8965 5252.427       338.0135 149.9038 5.321315 157.3408 5.116980 -7.437027 
7.382403 
1 1 1 5   27  19 f 113.5093 2.820646  2722.396       134.3827 2780.308       
192.7810 2667.659       187.4238 114.6799 4.004035 112.3386 3.973899 2.341324 
5.641291 
1 1 1 5   27  20 o 140.2645 3.621782  4183.082       213.2198 4131.938       
303.9451 4232.636       299.1879 139.3956 5.193586 141.1335 5.049345 -1.737946 
7.243564 
1 1 1 5   27  21 o 74.75932 3.177560  1179.814       99.13453 1374.762       
145.3761 1010.366       135.5354 80.53678 4.299520 68.98185 4.679924 11.55493 
6.355121 
1 1 1 5   27  22 o 28.63645 10.85619  142.1226       179.6496 142.1226       
179.6496 0.000000       0.000000 28.63645 10.85619 ?        ?        ? ? 
1 1 1 5   27  23 o 21.03027 5.730207  25.22833       82.28672 146.5057       
114.9080 -102.4279      117.8913 26.36834 8.820477 15.69220 7.317121 10.67614 
11.46041 
1 1 1 5   27  24 o 28.06317 4.858492  175.1778       57.37774 224.0624       
84.14290 132.6896       78.44514 31.65658 6.552556 24.46976 7.175222 7.186825 
9.716985 
1 1 1 5   27  25 o 54.54506 2.652259  631.0374       60.53833 628.3199       
82.28328 634.2442       89.38525 54.44002 3.600098 54.65010 3.895794 
-0.2100792     5.304519 
1 1 1 5   27  26 o 99.00185 2.313439  2071.155       96.02316 2191.906       
140.3015 1964.755       131.7007 101.7050 3.285800 96.29869 3.257532 5.406311 
4.626878 
1 1 1 5   27  27 o 60.29181 3.461632  772.3885       81.01559 805.3505       
146.6873 757.9207       97.18241 60.94411 5.732998 59.63951 3.881277 1.304596 
6.923264 
1 1 1 5   27  28 o 44.45357 4.130907  397.3453       73.64802 557.7331       
129.8426 321.2681       89.42496 50.46195 6.128784 38.44518 5.540359 12.01677 
8.261814 
1 1 1 5   27  29 o 125.4190 2.552762  3151.564       109.5789 3727.684       
247.6709 3011.339       122.1889 131.5316 4.485036 119.3065 2.439432 12.22511 
5.105524 
1 1 1 5   27  30 o 88.23007 2.616448  1621.660       90.34042 1796.046       
163.4459 1544.949       108.4044 91.25753 4.266055 85.20261 3.030506 6.054924 
5.232895 
1 1 1 5   27  31 o 80.68750 2.899214  1425.929       93.37431 1336.502       
155.6893 1476.166       116.6903 78.30732 4.735627 83.06769 3.345983 -4.760368 
5.798428 
1 1 1 5   27  32 o 19.62727 5.766448  43.40500       72.97885 66.32638       
131.8993 33.29216       87.61102 21.67981 8.948283 17.57473 7.275706 4.105087 
11.53290 
1 1 1 5   27  33 o 33.77534 5.607150  301.6462       77.74172 200.2214       
138.0003 348.7981       94.09301 28.15163 9.664483 39.39904 5.688435 -11.24742 
11.21430 
1 1 1 5   27  34 o 20.04970 5.698613  69.70019       72.26462 51.57091       
120.4713 79.88990       90.31802 20.07263 8.433208 20.02677 7.666666 
0.4586220E-01  11.39723 
1 1 1 5   27  35 o 30.62122 5.187922  256.2054       66.46667 151.5749       
120.8822 301.5464       79.57549 24.68629 8.987492 36.55615 5.184894 -11.86987 
10.37584 
1 1 1 5   27  36 o 107.3274 3.204400  2568.751       133.1141 2618.777       
239.5899 2546.413       160.0978 106.7340 5.346713 107.9208 3.533467 -1.186874 
6.408801 
1 1 1 5   27  37 o 26.60159 5.916014  212.4683       79.90218 113.2185       
141.4156 259.0120       96.84178 21.95037 9.174936 31.25280 7.471107 -9.302425 
11.83203 
1 1 1 5   28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   28  1  o 87.54268 2.749965  1616.509       101.0708 0.000000       
0.000000 1616.509       101.0708 ?        ?        87.54268 2.749965 ? ? 
1 1 1 5   28  2  o 60.92051 1.974665  780.3691       50.21379 762.2381       
67.14645 803.3741       75.63501 60.13304 2.659690 61.70797 2.919461 -1.574928 
3.949329 
1 1 1 5   28  3  o 16.11117 4.292155  40.33694       39.89112 27.61443       
56.72523 52.78451       56.10895 15.17000 6.007943 17.05234 6.131476 -1.882342 
8.584311 
1 1 1 5   28  4  o 37.26697 2.907914  294.7243       45.25660 257.9222       
63.52450 332.6554       64.49146 34.88118 4.337817 39.65276 3.873913 -4.771580 
5.815828 
1 1 1 5   28  5  o 126.7738 2.255708  3387.685       119.8474 3439.074       
175.3146 3342.601       164.2097 127.6593 3.271046 125.8884 3.106949 1.770927 
4.511416 
1 1 1 5   28  6  o 56.15965 2.375408  666.2427       55.87268 676.4149       
76.75091 654.7744       81.49403 56.62743 3.228329 55.69187 3.485420 0.9355621 
4.750816 
1 1 1 5   28  7  o 58.65577 2.391881  724.2590       58.81705 673.3109       
81.20980 780.4693       85.30064 56.48737 3.424350 60.82416 3.340390 -4.336792 
4.783762 
1 1 1 5   28  8  o 165.8365 3.367588  5812.978       232.3385 5948.489       
354.9531 5711.396       307.3223 167.4235 5.049818 164.2496 4.456673 3.173874 
6.735176 
1 1 1 5   28  9  o 37.90548 7.609060  319.2012       116.8262 319.2012       
116.8262 0.000000       0.000000 37.90548 7.609060 ?        ?        ? ? 
1 1 1 5   28  10 o 24.62556 5.476902  129.6458       63.49292 110.9046       
94.02695 145.3540       86.08310 23.49444 7.978900 25.75667 7.504864 -2.262230 
10.95380 
1 1 1 5   28  11 o 180.4345 3.819082  6920.005       289.0903 7152.911       
406.3005 6681.193       411.4185 183.5614 5.272142 177.3076 5.526848 6.253769 
7.638163 
1 1 1 5   28  12 o 60.77513 3.275870  778.9630       82.61523 627.2012       
112.8980 953.9117       121.2161 54.39143 4.943981 67.15883 4.299109 -12.76740 
6.551739 
1 1 1 5   28  13 o 37.25812 4.672833  305.5488       70.58789 267.1030       
104.1189 338.2492       96.02442 34.64409 7.378086 39.87214 5.736318 -5.228050 
9.345667 
1 1 1 5   28  14 o 52.54002 3.521026  587.1395       76.06411 441.3427       
104.7652 749.6724       110.6148 45.56533 5.476504 59.51470 4.427008 -13.94936 
7.042052 
1 1 1 5   28  15 o 34.78053 4.820879  272.1937       68.37040 383.4453       
96.74559 161.1959       96.63519 42.46786 5.426150 27.09318 7.969966 15.37468 
9.641757 
1 1 1 5   28  16 o 57.86523 3.490400  705.5540       84.33391 610.7980       
114.4664 818.0555       124.7252 53.62698 5.084119 62.10347 4.783650 -8.476498 
6.980801 
1 1 1 5   28  17 f 27.45333 6.001843  162.7424       76.30094 186.5107       
110.9372 141.4054       105.1101 29.02881 8.539413 25.87784 8.436049 3.150972 
12.00369 
1 1 1 5   28  18 o 155.7122 3.468041  5146.487       223.9399 5185.587       
345.2021 5118.075       294.2604 156.0782 5.268078 155.3462 4.511827 0.7320251 
6.936081 
1 1 1 5   28  19 o 136.2611 3.288475  3941.449       187.4648 3960.575       
277.2146 3925.332       254.4733 136.5014 4.837267 136.0208 4.456131 0.4805756 
6.576950 
1 1 1 5   28  20 o 41.32645 4.640052  368.4608       78.35815 428.5006       
117.0148 319.6496       105.5068 44.68808 6.236921 37.96481 6.871764 6.723278 
9.280104 
1 1 1 5   28  21 o 35.00920 5.774062  277.1353       84.02545 342.8482       
121.0838 216.0973       116.6974 39.10834 7.647345 30.91006 8.653167 8.198286 
11.54812 
1 1 1 5   28  22 o 37.16257 5.587378  314.5533       84.49107 276.4192       
122.3957 349.2677       116.7789 34.80449 8.449263 39.52065 7.313351 -4.716164 
11.17476 
1 1 1 5   28  23 o 73.02455 3.029222  1131.964       92.19886 956.3575       
127.0643 1327.231       133.9888 67.00159 4.517099 79.04752 4.037396 -12.04592 
6.058444 
1 1 1 5   28  24 o 41.55600 6.925653  376.5743       120.8296 376.5743       
120.8296 0.000000       0.000000 41.55600 6.925653 ?        ?        ? ? 
1 1 1 5   28  25 o 49.82606 4.118913  538.4384       85.94836 503.4199       
122.7414 572.1286       120.3913 48.16895 6.069389 51.48317 5.569946 -3.314213 
8.237826 
1 1 1 5   28  26 o 15.99889 4.681086  8.457143       53.65896 53.71610       
76.38765 -35.63036      75.39259 18.36110 7.044390 13.63668 6.166590 4.724419 
9.362171 
1 1 1 5   28  27 o 65.83070 2.860269  925.2745       75.36049 933.3882       
127.6106 920.9294       93.38340 65.86518 4.614791 65.79621 3.380569 
0.6896973E-01  5.720538 
1 1 1 5   28  28 o 40.33571 5.052092  421.4138       73.01073 253.3135       
129.1550 500.3595       88.50981 32.45286 9.109256 48.21856 4.372182 -15.76570 
10.10418 
1 1 1 5   28  29 o 41.37121 4.486402  365.2129       74.02908 432.4059       
130.3125 333.1952       89.95388 43.77196 7.091060 38.97047 5.498008 4.801491 
8.972804 
1 1 1 5   28  30 o 34.11980 5.509724  260.9212       73.74408 339.8808       
129.5790 223.0973       89.68410 37.45042 8.442913 30.78919 7.081346 6.661228 
11.01945 
1 1 1 5   28  31 o 54.88792 3.825764  626.3508       83.06329 794.3310       
150.4485 552.6957       99.62315 59.51065 6.021634 50.26518 4.720783 9.245464 
7.651527 
1 1 1 5   28  32 o 36.53878 5.424039  307.1337       77.26691 385.6135       
133.8688 267.9277       94.61864 39.51588 8.329619 33.56168 6.949695 5.954193 
10.84808 
1 1 1 5   28  33 o 45.37587 4.788483  479.1700       81.31805 492.6036       
146.9291 473.2383       97.63457 44.64109 8.141400 46.11065 5.043401 -1.469551 
9.576966 
1 1 1 5   28  34 o 21.09225 5.978763  64.46101       76.92516 152.8335       
135.8359 22.73877       93.33397 25.07139 9.458942 17.11312 7.315110 7.958271 
11.95753 
1 1 1 5   28  35 o 55.89436 3.615238  683.1466       79.70054 786.4588       
142.5558 636.1704       96.12764 58.22836 5.831381 53.56036 4.274899 4.668003 
7.230475 
1 1 1 5   28  36 o 14.81483 4.881401  -55.08642      75.53339 -193.3656      
139.4638 2.311210       89.85252 14.10687 6.918978 15.52279 6.887672 -1.415920 
9.762801 
1 1 1 5   28  37 o 25.54673 6.308499  187.2238       79.98614 204.4599       
142.3039 179.2634       96.70872 25.77333 9.691180 25.32014 8.078963 0.4531918 
12.61700 
1 1 1 5   29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   29  1  o 59.80487 3.538919  758.4844       88.85587 0.000000       
0.000000 758.4844       88.85587 ?        ?        59.80487 3.538919 ? ? 
1 1 1 5   29  2  o 28.96353 3.894345  174.4358       45.65974 254.7876       
72.92188 122.6172       58.56022 34.51399 5.032499 23.41306 5.944548 11.10093 
7.788690 
1 1 1 5   29  3  o 95.33249 2.022352  1888.854       79.84601 2095.078       
125.8702 1749.989       103.2878 99.59019 3.010423 91.07478 2.701293 8.515404 
4.044704 
1 1 1 5   29  4  o 81.52057 2.072008  1403.387       70.87175 1347.959       
100.2710 1458.719       100.1847 79.90226 2.989078 83.13887 2.870240 -3.236610 
4.144016 
1 1 1 5   29  5  o 139.2426 2.141989  4088.289       124.3884 4053.196       
166.2756 4132.887       187.4444 138.6078 2.857339 139.8773 3.191877 -1.269485 
4.283978 
1 1 1 5   29  6  o 68.40732 2.197011  971.7484       62.57410 855.4591       
82.43788 1129.823       96.11443 63.66039 3.084456 73.15425 3.129465 -9.493866 
4.394021 
1 1 1 5   29  7  o 89.54079 2.126918  1692.027       79.84684 1700.169       
110.2296 1683.039       115.8185 89.77988 2.924424 89.30169 3.089153 0.4781952 
4.253836 
1 1 1 5   29  8  o 93.77631 3.216846  1860.270       116.0510 1883.646       
212.2886 1850.306       138.5932 93.98561 5.380051 93.56699 3.528094 0.4186172 
6.433692 
1 1 1 5   29  9  o 97.35077 3.318989  2075.013       127.4433 2216.794       
158.7333 1817.848       213.7791 102.3909 3.692560 92.31059 5.516135 10.08036 
6.637978 
1 1 1 5   29  10 o 133.8600 3.013571  3801.115       167.9435 3766.853       
253.8114 3827.798       223.9900 133.2385 4.537351 134.4815 3.967228 -1.243011 
6.027143 
1 1 1 5   29  11 o 142.1160 3.148751  4287.095       187.4987 4219.167       
272.6402 4348.050       258.2695 140.9963 4.605779 143.2356 4.294803 -2.239258 
6.297503 
1 1 1 5   29  12 o 22.76208 5.596812  101.0473       66.12878 76.40192       
94.98309 124.2307       92.12294 21.25724 7.932434 24.26693 7.897703 -3.009689 
11.19362 
1 1 1 5   29  13 o 80.81519 2.766675  1378.943       93.69431 1503.700       
135.7155 1265.335       129.5097 84.31279 3.834045 77.31760 3.989745 6.995193 
5.533350 
1 1 1 5   29  14 o 36.98499 4.680180  282.4162       69.66099 551.2695       
111.2556 109.0439       89.34162 50.88055 5.208240 23.08941 7.777568 27.79114 
9.360359 
1 1 1 5   29  15 f 114.3051 3.199523  2763.897       153.2733 2611.193       
209.4039 2940.121       224.9526 110.9235 4.496579 117.6867 4.552865 -6.763168 
6.399046 
1 1 1 5   29  16 o 87.53919 2.831462  1625.001       103.5289 1602.329       
153.8061 1643.783       139.9909 86.93855 4.213881 88.13983 3.783108 -1.201279 
5.662923 
1 1 1 5   29  17 o 43.38656 4.241748  403.1219       77.23042 410.9816       
111.2306 395.8059       107.3152 43.78698 6.050628 42.98615 5.946395 0.8008347 
8.483497 
1 1 1 5   29  18 o 30.43876 5.853225  209.3470       76.75272 206.9907       
109.4521 211.6267       107.6596 30.27986 8.346087 30.59767 8.208763 
-0.3178082     11.70645 
1 1 1 5   29  19 o 25.78533 6.087168  132.9944       81.20163 64.33392       
115.4918 200.1181       114.1921 21.76021 8.586920 29.81046 8.630136 -8.050251 
12.17434 
1 1 1 5   29  20 o 36.36795 5.214774  296.6927       76.73813 308.6619       
112.2098 286.1764       105.1792 37.04440 7.476826 35.69150 7.271352 1.352894 
10.42955 
1 1 1 5   29  21 o 102.6212 2.962877  2241.011       127.3671 2205.968       
185.5949 2272.207       175.1106 101.8144 4.341884 103.4281 4.032692 -1.613701 
5.925754 
1 1 1 5   29  22 o 43.08146 4.458230  398.3470       80.26326 452.5537       
119.8226 354.2285       108.0992 45.72973 6.241102 40.43319 6.368040 5.296547 
8.916461 
1 1 1 5   29  23 o 77.44595 3.101513  1277.518       100.7222 1337.457       
146.9263 1224.376       138.3459 79.14561 4.421748 75.74631 4.350366 3.399300 
6.203026 
1 1 1 5   29  24 o 55.17861 3.806832  659.4298       87.85020 616.2474       
126.8841 699.1901       121.7526 53.35656 5.664226 57.00066 5.087675 -3.644100 
7.613665 
1 1 1 5   29  25 o 33.91386 8.001595  267.5086       112.2235 0.000000       
0.000000 267.5086       112.2235 ?        ?        33.91386 8.001595 ? ? 
1 1 1 5   29  26 o 25.71078 9.220542  139.1629       126.8128 139.1629       
126.8128 0.000000       0.000000 25.71078 9.220542 ?        ?        ? ? 
1 1 1 5   29  27 o 15.29897 5.078991  -107.9050      83.81145 -163.7287      
127.5441 -65.48168      111.1870 14.74535 7.085160 15.85259 7.279088 -1.107245 
10.15798 
1 1 1 5   29  28 o 32.53951 5.290443  271.9985       70.07440 163.1364       
124.6329 322.3196       84.73634 26.68864 9.182331 38.39036 5.257370 -11.70172 
10.58089 
1 1 1 5   29  29 o 65.53139 3.100406  925.9960       81.23367 946.2132       
138.1264 915.3058       100.4397 65.76496 5.002687 65.29781 3.663769 0.4671555 
6.200812 
1 1 1 5   29  30 o 16.97080 5.321763  -9.425074      70.22110 -2.822495      
125.7952 -12.41379      84.63489 18.71068 8.245145 15.23092 6.730693 3.479767 
10.64353 
1 1 1 5   29  31 o 31.51734 5.449953  263.7799       72.60546 153.9533       
131.8243 311.6035       86.98868 25.68923 9.382231 37.34544 5.548125 -11.65621 
10.89991 
1 1 1 5   29  32 o 13.89983 4.603212  -68.58017      66.03909 -123.9292      
112.9622 -39.84138      81.39780 14.07901 6.741359 13.72066 6.269954 0.3583479 
9.206424 
1 1 1 5   29  33 o 20.86063 5.663224  90.64831       69.05493 61.13022       
118.3730 105.8761       85.02119 20.28443 8.430926 21.43683 7.563590 -1.152401 
11.32645 
1 1 1 5   29  34 o 50.34996 3.914951  568.7673       81.15259 639.9415       
130.6585 524.0658       103.5469 52.56329 5.920744 48.13663 5.123686 4.426662 
7.829902 
1 1 1 5   29  35 o 17.24356 5.154061  39.79062       62.32357 9.376824       
112.0184 53.42585       75.00412 17.29269 7.679529 17.19442 6.876207 
0.9826660E-01  10.30812 
1 1 1 5   29  36 o 35.04953 5.417341  314.0455       75.09332 389.3550       
126.5130 273.0800       93.30816 37.65902 8.228686 32.44004 7.048337 5.218971 
10.83468 
1 1 1 5   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   30  1  o 35.69943 4.639948  273.6971       69.54298 0.000000       
0.000000 273.6971       69.54298 ?        ?        35.69943 4.639948 ? ? 
1 1 1 5   30  2  o 59.71635 2.624555  752.0537       65.51303 677.8693       
88.06254 843.9946       98.03683 56.44638 3.716004 62.98634 3.707353 -6.539959 
5.249110 
1 1 1 5   30  3  o 68.38988 2.490993  983.3215       71.16686 1095.202       
107.2860 895.4096       95.10216 71.82307 3.557954 64.95670 3.487285 6.866379 
4.981987 
1 1 1 5   30  4  o 57.76400 2.289021  705.5809       55.45274 687.1417       
76.33043 726.1894       80.69556 56.97292 3.191173 58.55507 3.282511 -1.582146 
4.578042 
1 1 1 5   30  5  o 67.94701 2.139631  975.6798       61.02264 948.1685       
85.44677 1004.317       87.17735 66.96770 3.039144 68.92630 3.012588 -1.958595 
4.279262 
1 1 1 5   30  6  o 39.18291 3.064587  323.0775       49.97091 268.9297       
67.19202 390.0912       74.74967 35.52881 4.504620 42.83701 4.156341 -7.308205 
6.129174 
1 1 1 5   30  7  o 51.98489 2.767399  569.0324       60.03259 665.2836       
88.87365 488.2612       81.41379 56.01604 3.779042 47.95375 4.043863 8.062283 
5.534798 
1 1 1 5   30  8  o 159.2123 6.534059  5474.754       436.7557 0.000000       
0.000000 5474.754       436.7557 ?        ?        159.2123 6.534059 ? ? 
1 1 1 5   30  9  o 108.9239 2.577553  2502.119       115.8938 2567.472       
182.3014 2457.792       150.1380 110.0316 3.946332 107.8162 3.316864 2.215446 
5.155107 
1 1 1 5   30  10 o 119.2688 2.854188  3009.912       142.5839 2914.105       
193.9456 3122.598       210.3389 117.2376 3.940342 121.2999 4.130287 -4.062210 
5.708377 
1 1 1 5   30  11 o 14.77390 4.603851  -64.37367      61.83925 34.94818       
87.02975 -165.6556      87.88432 18.23511 7.359212 11.31269 5.533874 6.922412 
9.207702 
1 1 1 5   30  12 o 32.83277 4.876767  241.6216       66.19461 188.5672       
95.98727 289.7338       91.40720 28.91985 7.747561 36.74569 5.925093 -7.825834 
9.753533 
1 1 1 5   30  13 o 60.92288 3.212460  792.4875       81.36037 930.3267       
116.1463 659.6831       114.0054 66.20624 4.178569 55.63952 4.880488 10.56672 
6.424921 
1 1 1 5   30  14 o 102.2636 2.684242  2216.837       115.1806 2155.427       
163.9741 2276.649       161.8270 100.8456 3.872927 103.6816 3.717667 -2.835953 
5.368483 
1 1 1 5   30  15 o 88.49305 2.863294  1661.908       106.3540 1694.195       
149.9310 1629.209       150.8880 89.37065 3.995927 87.61545 4.101996 1.755203 
5.726587 
1 1 1 5   30  16 o 44.82144 4.064426  433.6752       75.73809 365.6025       
107.1127 501.7407       107.1070 41.20411 6.191866 48.43877 5.266785 -7.234661 
8.128852 
1 1 1 5   30  17 o 26.22804 5.862512  149.0711       71.27744 160.8519       
111.6663 140.9709       92.59439 27.11668 8.684224 25.33941 7.877846 1.777273 
11.72502 
1 1 1 5   30  18 o 45.12151 4.232975  439.9243       79.86115 481.0000       
112.3869 398.0289       113.5028 47.31726 5.657403 42.92577 6.298103 4.391495 
8.465950 
1 1 1 5   30  19 o 35.62536 5.406178  287.1768       78.31395 308.3299       
114.5069 268.5870       107.3450 36.87701 7.652122 34.37372 7.638853 2.503288 
10.81236 
1 1 1 5   30  20 o 112.0266 3.080741  2686.426       144.2898 2474.848       
207.6038 2884.136       200.6854 107.6459 4.593657 116.4072 4.106359 -8.761284 
6.161483 
1 1 1 5   30  21 o 30.95492 5.976723  217.7662       79.37239 250.9703       
121.4151 192.9862       104.8886 32.88783 8.669636 29.02202 8.229356 3.865808 
11.95345 
1 1 1 5   30  22 o 28.11331 5.450734  175.9810       76.29072 38.61689       
111.3402 297.5523       104.7444 20.01390 8.234480 36.21273 7.143902 -16.19883 
10.90147 
1 1 1 5   30  23 o 54.81569 3.751087  647.8750       84.93296 812.7193       
124.4183 504.0232       116.2264 61.46836 4.821183 48.16302 5.747939 13.30534 
7.502174 
1 1 1 5   30  24 f 48.56974 4.310167  512.6382       87.54439 571.9078       
130.5934 464.2661       117.9784 51.10220 6.086989 46.03728 6.103993 5.064915 
8.620335 
1 1 1 5   30  25 o 58.58376 3.785307  745.3234       92.99992 791.4883       
134.9685 703.5906       128.3262 60.31638 5.329891 56.85114 5.376472 3.465233 
7.570613 
1 1 1 5   30  26 o 76.55788 3.455041  1251.413       109.6264 1398.579       
172.4024 1151.516       142.0414 80.15129 5.123348 72.96446 4.636867 7.186829 
6.910082 
1 1 1 5   30  27 o 18.80514 8.040875  17.54050       112.8345 0.000000       
0.000000 17.54050       112.8345 ?        ?        18.80514 8.040875 ? ? 
1 1 1 5   30  28 o 93.68314 4.924361  1919.198       193.6824 1919.198       
193.6824 0.000000       0.000000 93.68314 4.924361 ?        ?        ? ? 
1 1 1 5   30  29 o 44.02201 5.077043  455.2204       89.63655 426.0242       
138.0775 476.4866       117.8438 41.99918 8.120588 46.04485 6.096024 -4.045677 
10.15409 
1 1 1 5   30  30 o 52.54457 3.800270  609.3578       79.29906 631.2073       
136.8226 598.3059       97.30921 52.76696 6.176134 52.32218 4.429852 0.4447746 
7.600541 
1 1 1 5   30  31 o 94.58069 2.801478  1876.540       97.81261 2096.410       
195.1915 1802.815       113.0281 97.39851 4.773419 91.76288 2.933868 5.635628 
5.602955 
1 1 1 5   30  32 o 62.99166 3.497277  899.4723       86.90823 837.4694       
147.3960 932.5157       107.6026 60.60874 5.792574 65.37458 3.920440 -4.765839 
6.994553 
1 1 1 5   30  33 o 37.09543 5.556057  332.9061       80.03021 401.8113       
139.6763 299.2289       97.64819 39.16245 8.721907 35.02840 6.885306 4.134048 
11.11211 
1 1 1 5   30  34 o 29.16068 5.798796  221.3615       70.10196 243.5942       
127.4659 211.7210       83.93566 29.35190 9.266000 28.96946 6.974624 0.3824406 
11.59759 
1 1 1 5   30  35 f 50.08229 4.039417  525.6475       77.54885 791.1135       
152.3122 432.7497       90.10169 56.86952 6.379348 43.29506 4.956963 13.57446 
8.078835 
1 1 1 5   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   31  1  o 53.44882 5.650605  625.8568       126.7979 0.000000       
0.000000 625.8568       126.7979 ?        ?        53.44882 5.650605 ? ? 
1 1 1 5   31  2  o 38.83536 4.790916  325.7404       78.11327 0.000000       
0.000000 325.7404       78.11327 ?        ?        38.83536 4.790916 ? ? 
1 1 1 5   31  3  o 20.57856 4.899884  61.91694       55.96486 164.1099       
87.11684 -9.892590      73.02687 26.67807 7.479056 14.47905 6.332390 12.19902 
9.799767 
1 1 1 5   31  4  o 81.22974 2.543135  1398.390       86.05791 1452.998       
131.0916 1357.033       114.0821 82.55754 3.782154 79.90192 3.400802 2.655617 
5.086270 
1 1 1 5   31  5  o 25.85435 4.949793  152.3017       54.97555 151.8130       
79.99761 152.7390       75.67655 25.81359 7.144142 25.89511 6.852960 
-0.8152199E-01 9.899587 
1 1 1 5   31  6  o 24.46384 4.388255  135.9993       47.05332 187.2052       
65.77896 82.34193       67.33522 28.97848 5.606822 19.94919 6.752087 9.029285 
8.776509 
1 1 1 5   31  7  o 34.58396 4.181158  274.2299       56.84439 210.3548       
87.32504 321.1987       74.88205 30.42253 6.981190 38.74539 4.603401 -8.322866 
8.362315 
1 1 1 5   31  8  o 117.7962 5.254092  2982.710       259.8412 2982.710       
259.8412 0.000000       0.000000 117.7962 5.254092 ?        ?        ? ? 
1 1 1 5   31  9  o 123.4816 2.908717  3247.167       150.5334 3006.800       
211.3902 3494.461       214.4146 118.7907 4.238611 128.1726 3.984560 -9.381889 
5.817434 
1 1 1 5   31  10 o 67.93539 2.795461  979.7685       79.27953 968.1741       
106.3264 994.2849       118.9728 67.52623 3.750505 68.34456 4.146338 
-0.8183289     5.590922 
1 1 1 5   31  11 o 82.48421 2.713291  1439.015       93.75208 1324.058       
128.1473 1571.401       137.5192 78.94736 3.866275 86.02106 3.807848 -7.073700 
5.426582 
1 1 1 5   31  12 o 95.01098 2.533881  1915.166       100.9538 1895.513       
145.9427 1933.198       139.7959 94.51773 3.677817 95.50423 3.486527 
-0.9864960     5.067761 
1 1 1 5   31  13 o 30.71422 5.237617  218.0016       67.31783 170.8348       
99.68796 257.5402       91.27143 27.52589 8.094117 33.90255 6.649495 -6.376667 
10.47523 
1 1 1 5   31  14 o 52.07077 3.453693  586.9321       74.22397 468.3124       
105.4794 703.2812       104.4650 46.69199 5.380795 57.44956 4.331171 -10.75758 
6.907387 
1 1 1 5   31  15 o 51.95266 3.534096  575.8594       76.46738 481.9496       
104.7724 682.8996       111.8574 47.38046 5.267064 56.52486 4.713531 -9.144398 
7.068192 
1 1 1 5   31  16 o 66.15503 3.035086  934.2328       84.16783 900.7772       
120.9453 965.6513       117.2054 64.97108 4.433940 67.33899 4.145741 -2.367912 
6.070172 
1 1 1 5   31  17 o 67.07764 3.159668  958.9663       88.82381 993.8845       
130.3408 928.6894       121.3700 68.19340 4.552598 65.96188 4.382678 2.231514 
6.319336 
1 1 1 5   31  18 o 50.90794 3.606746  558.0987       76.85456 605.4242       
108.5045 510.4502       108.8740 53.13182 4.864229 48.68407 5.326702 4.447746 
7.213493 
1 1 1 5   31  19 o 122.3951 3.448691  3219.292       176.6522 3183.003       
259.4583 3250.649       241.1888 121.6348 5.080786 123.1555 4.664706 -1.520752 
6.897382 
1 1 1 5   31  20 o 33.06692 5.371009  251.9757       73.03368 245.5315       
104.1693 258.2057       102.4232 32.60952 7.718922 33.52432 7.470556 
-0.9148026     10.74202 
1 1 1 5   31  21 o 32.85765 5.973018  253.4288       82.97585 264.6502       
116.5159 241.8821       118.1933 33.62606 8.294141 32.08924 8.597383 1.536819 
11.94604 
1 1 1 5   31  22 o 20.01114 5.627378  42.10826       73.51984 106.1286       
107.8498 -13.46795      100.4858 23.18830 8.484588 16.83397 7.394680 6.354328 
11.25476 
1 1 1 5   31  23 o 87.80559 3.176321  1659.927       117.0458 1721.888       
166.3864 1599.229       164.6824 89.45767 4.430179 86.15350 4.552976 3.304169 
6.352643 
1 1 1 5   31  24 o 47.63546 4.216173  495.6754       83.94941 562.1926       
124.9208 440.8965       113.3637 50.55466 5.885650 44.71626 6.038507 5.838406 
8.432345 
1 1 1 5   31  25 o 47.73146 4.318337  497.5086       85.87962 583.3724       
130.7616 432.3793       113.8842 51.31435 6.069634 44.14856 6.144239 7.165787 
8.636674 
1 1 1 5   31  26 o 70.53369 3.587697  1078.704       105.6228 1178.300       
160.2656 1002.228       140.4372 73.31015 5.207117 67.75723 4.936822 5.552925 
7.175395 
1 1 1 5   31  27 o 86.66190 3.313345  1645.618       119.7941 1556.478       
176.3815 1721.945       163.2128 84.25717 4.986172 89.06664 4.364759 -4.809464 
6.626691 
1 1 1 5   31  28 o 26.92566 6.167597  167.6611       88.46861 53.38339       
128.8153 269.6856       121.7136 20.96381 8.759225 32.88752 8.685218 -11.92371 
12.33519 
1 1 1 5   31  29 o 28.63099 8.378639  204.0510       107.0689 0.000000       
0.000000 204.0510       107.0689 ?        ?        28.63099 8.378639 ? ? 
1 1 1 5   31  30 o 20.92146 8.811316  56.22186       132.0487 56.22186       
132.0487 0.000000       0.000000 20.92146 8.811316 ?        ?        ? ? 
1 1 1 5   31  31 o 71.75885 3.877333  1165.970       116.6164 1224.241       
163.7413 1105.990       166.1256 73.76139 5.287498 69.75631 5.672495 4.005081 
7.754665 
1 1 1 5   31  32 o 41.56483 5.207479  446.9673       79.57193 356.9688       
140.3802 489.5725       96.58735 36.43470 9.175907 46.69496 4.926872 -10.26027 
10.41496 
1 1 1 5   31  33 o 58.26336 3.876810  803.0213       86.38196 725.5865       
152.4438 839.6441       104.8375 54.94149 6.608921 61.58523 4.054724 -6.643742 
7.753620 
1 1 1 5   31  34 o 37.37246 5.510450  348.1579       79.25268 446.6220       
141.6858 303.3227       95.60862 40.14457 8.653546 34.60035 6.824690 5.544212 
11.02090 
1 1 1 5   31  35 o 42.86995 5.039552  428.4337       84.65919 644.6623       
150.4835 328.3085       102.4010 50.19381 7.141014 35.54609 7.112964 14.64773 
10.07910 
1 1 1 5   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   32  2  o 23.37966 6.989338  126.1017       73.84975 0.000000       
0.000000 126.1017       73.84975 ?        ?        23.37966 6.989338 ? ? 
1 1 1 5   32  3  o 43.65667 3.459124  411.9165       63.15619 465.8238       
92.89612 365.5857       86.12089 46.33292 4.775611 40.98042 5.005565 5.352497 
6.918247 
1 1 1 5   32  4  o 37.85397 3.646819  305.2671       57.07961 391.0988       
87.37537 241.3679       75.38985 42.46356 4.901101 33.24439 5.401515 9.219173 
7.293638 
1 1 1 5   32  5  o 56.51583 2.798014  683.8876       66.36430 692.6601       
95.40043 675.6620       92.37907 56.85552 3.996674 56.17615 3.916902 0.6793709 
5.596028 
1 1 1 5   32  6  o 82.87015 2.400505  1460.004       83.35613 1337.740       
115.7222 1591.848       120.1703 79.24045 3.478492 86.49986 3.309047 -7.259407 
4.801010 
1 1 1 5   32  7  o 33.01666 4.521213  226.0272       61.00611 409.2749       
98.83924 113.2521       77.53835 43.41051 5.423199 22.62281 7.235632 20.78770 
9.042425 
1 1 1 5   32  8  o 57.42567 3.670827  693.0092       83.45868 654.7169       
101.1217 774.8187       147.8055 55.25854 4.358792 59.59279 5.907691 -4.334255 
7.341654 
1 1 1 5   32  9  o 86.57948 2.489913  1581.362       90.03146 1725.418       
136.1148 1469.318       120.0419 90.02892 3.601177 83.13004 3.439505 6.898880 
4.979826 
1 1 1 5   32  10 o 22.25296 5.397508  103.7843       60.94587 108.2638       
83.99046 98.80261       88.57294 22.50250 7.541050 22.00343 7.724307 0.4990654 
10.79502 
1 1 1 5   32  11 o 65.12651 3.202879  909.5472       87.54870 926.1185       
123.1592 892.6198       124.4764 65.74646 4.461857 64.50657 4.596255 1.239891 
6.405758 
1 1 1 5   32  12 o 44.65409 3.803116  436.6196       70.20087 361.3694       
101.2761 506.2136       97.39558 40.76595 5.917395 48.54224 4.779039 -7.776291 
7.606233 
1 1 1 5   32  13 o 47.02242 3.613598  475.7003       71.16754 488.2343       
104.8551 464.9946       96.90636 47.56159 5.251151 46.48325 4.965659 1.078339 
7.227195 
1 1 1 5   32  14 o 15.16251 4.809212  -51.39005      64.46688 11.60987       
97.84915 -99.71107      85.69492 17.74193 7.533913 12.58309 5.979485 5.158843 
9.618424 
1 1 1 5   32  15 o 34.79393 5.051184  276.9396       71.27811 299.1595       
99.82254 253.8252       101.8118 36.37061 6.789645 33.21725 7.480546 3.153355 
10.10237 
1 1 1 5   32  16 o 19.45422 5.275429  31.98794       68.58931 -66.37009      
97.98759 126.4779       96.04153 14.77199 6.803950 24.13645 8.063925 -9.364463 
10.55086 
1 1 1 5   32  17 o 70.46660 3.152882  1067.150       92.72350 1045.538       
138.0154 1084.930       125.1834 69.72599 4.714698 71.20721 4.187395 -1.481216 
6.305763 
1 1 1 5   32  18 o 31.56800 5.530498  232.1489       72.99158 235.1923       
101.9721 228.9511       104.5267 31.81020 7.705805 31.32579 7.935123 0.4844131 
11.06100 
1 1 1 5   32  19 o 33.57703 5.665820  260.1326       79.09608 325.5730       
117.8972 206.5702       106.6622 37.46718 7.757040 29.68688 8.260410 7.780302 
11.33164 
1 1 1 5   32  20 f 77.11412 2.992215  1276.361       96.86616 1296.931       
137.2345 1255.936       136.7457 77.74415 4.204521 76.48409 4.258569 1.260056 
5.984430 
1 1 1 5   32  21 o 33.48356 5.312072  262.8674       75.51665 175.9442       
108.2784 345.1901       105.3741 27.46146 8.515205 39.50566 6.353246 -12.04420 
10.62414 
1 1 1 5   32  22 o 58.91537 3.797207  761.5114       93.41540 681.6962       
133.1922 838.7825       131.0525 55.72066 5.693555 62.11008 5.025788 -6.389423 
7.594413 
1 1 1 5   32  23 o 27.14357 5.878242  169.4066       77.87736 91.62160       
110.4739 246.2451       109.7997 22.20786 8.485631 32.07928 8.136889 -9.871424 
11.75648 
1 1 1 5   32  24 o 19.49270 5.729294  36.82219       77.45874 62.06679       
114.6885 15.64907       105.0336 20.84099 8.432710 18.14441 7.758134 2.696573 
11.45859 
1 1 1 5   32  25 o 28.17496 6.431328  192.9049       87.28102 167.4231       
127.4087 215.4377       119.8095 26.72278 9.275304 29.62715 8.911603 -2.904366 
12.86266 
1 1 1 5   32  26 o 124.5085 3.691422  3428.397       192.0798 3335.042       
282.8782 3508.265       261.6463 122.6033 5.495640 126.4137 4.929941 -3.810341 
7.382844 
1 1 1 5   32  27 o 27.54399 6.043628  163.6595       86.39864 311.7429       
129.6250 45.28171       115.8966 35.23168 8.783987 19.85630 8.303211 15.37538 
12.08726 
1 1 1 5   32  28 o 31.32128 6.365496  252.4625       88.43744 230.0327       
130.3908 271.5710       120.3506 29.88008 9.360271 32.76248 8.629223 -2.882401 
12.73099 
1 1 1 5   32  29 o 27.63958 6.555976  194.1228       89.66823 221.2549       
132.2013 171.0056       122.0287 29.10161 9.460950 26.17754 9.078199 2.924067 
13.11195 
1 1 1 5   32  30 o 30.17918 5.730223  223.2491       92.87952 10.07567       
134.0418 420.1278       128.8169 19.13762 8.462051 41.22074 7.728874 -22.08312 
11.46045 
1 1 1 5   32  31 o 26.56997 9.173930  186.8392       124.4994 0.000000       
0.000000 186.8392       124.4994 ?        ?        26.56997 9.173930 ? ? 
1 1 1 5   32  32 o 20.86198 6.217194  54.35121       98.61853 152.3341       
139.4019 -43.81685      139.5336 24.33941 9.477067 17.38456 8.049796 6.954844 
12.43439 
1 1 1 5   32  33 o 21.57388 5.961176  94.88204       89.42178 -42.61686      
136.3316 198.7035       118.4652 16.87898 7.869769 26.26877 8.955961 -9.389784 
11.92235 
1 1 1 5   32  34 o 27.32003 6.195252  203.2578       74.13592 263.0161       
142.9890 181.2882       86.69915 28.78075 9.839389 25.85932 7.530672 2.921438 
12.39050 
1 1 1 5   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   33  2  o 15.74135 6.602766  18.98749       73.65105 0.000000       
0.000000 18.98749       73.65105 ?        ?        15.74135 6.602766 ? ? 
1 1 1 5   33  3  o 35.01625 4.397435  289.2694       60.92267 134.6177       
83.82552 462.4144       88.69597 23.97300 7.504090 46.05949 4.586758 -22.08649 
8.794869 
1 1 1 5   33  4  o 41.98670 4.165288  358.9192       68.48662 553.5863       
119.8026 264.4205       83.47047 49.97234 5.710283 34.00107 6.065572 15.97127 
8.330576 
1 1 1 5   33  5  o 51.34212 3.104478  569.5021       66.84126 606.7523       
96.95063 535.7559       92.27802 52.94921 4.361263 49.73504 4.419334 3.214165 
6.208956 
1 1 1 5   33  6  o 28.38242 4.894182  189.9374       58.36160 225.6933       
80.96282 151.2612       84.20410 31.32770 6.377080 25.43714 7.425962 5.890568 
9.788364 
1 1 1 5   33  7  o 40.03860 5.220708  350.3242       78.51157 418.2259       
147.6313 323.5471       92.70853 41.74808 8.708152 38.32911 5.761187 3.418968 
10.44142 
1 1 1 5   33  8  o 51.13905 3.426513  559.9466       72.93246 674.0634       
109.7045 469.5639       97.63200 55.80273 4.682630 46.47536 5.003692 9.327370 
6.853025 
1 1 1 5   33  9  o 43.22705 3.797688  411.2347       64.71651 397.0807       
111.4168 418.4416       79.50332 42.36333 6.264431 44.09077 4.294955 -1.727436 
7.595376 
1 1 1 5   33  10 o 51.14347 3.116372  566.6422       66.18952 471.5939       
93.34300 662.7696       93.87147 46.69536 4.761339 55.59158 4.022033 -8.896214 
6.232744 
1 1 1 5   33  11 o 17.12516 5.060819  -1.537036      65.64649 -77.04449      
93.53295 71.76778       92.15862 13.93721 6.506036 20.31310 7.753648 -6.375892 
10.12164 
1 1 1 5   33  12 o 15.21600 4.856356  -37.47860      65.78776 -35.42916      
94.42111 -39.41221      91.71382 15.41143 6.938695 15.02056 6.796417 0.3908710 
9.712712 
1 1 1 5   33  13 o 26.35490 5.552930  157.5711       66.94926 201.6982       
98.51092 119.6968       91.26484 29.32669 7.845216 23.38312 7.860834 5.943567 
11.10586 
1 1 1 5   33  14 o 23.32207 5.612255  117.4225       67.72034 73.16058       
102.3610 151.8754       90.30924 20.96325 8.129486 25.68089 7.739578 -4.717638 
11.22451 
1 1 1 5   33  15 o 13.45621 4.453160  -73.82816      61.33326 -102.8458      
102.4735 -57.63033      76.56115 14.04076 6.617192 12.87166 5.961149 1.169104 
8.906320 
1 1 1 5   33  16 o 76.00488 2.997286  1240.782       95.59875 1190.031       
133.5905 1294.050       136.8629 74.39686 4.277029 77.61290 4.200230 -3.216042 
5.994573 
1 1 1 5   33  17 o 63.85552 3.279861  884.2322       87.52827 835.7328       
127.6506 927.2698       120.2481 62.09287 4.896684 65.61816 4.364911 -3.525291 
6.559722 
1 1 1 5   33  18 o 60.65335 3.452617  798.7409       87.77459 746.3853       
123.9682 851.3741       124.2964 58.59454 5.039348 62.71216 4.720935 -4.117615 
6.905234 
1 1 1 5   33  19 o 99.74615 3.088884  2144.795       129.1630 2178.308       
188.4098 2115.079       177.4138 100.4178 4.469035 99.07449 4.265271 1.343323 
6.177767 
1 1 1 5   33  20 o 26.31458 5.908764  158.0084       74.52280 205.5778       
109.5211 116.9939       101.6958 29.28652 8.443149 23.34265 8.268448 5.943863 
11.81753 
1 1 1 5   33  21 o 95.09969 3.006220  1953.635       119.7542 1959.184       
164.1242 1947.316       175.1269 95.33717 4.100449 94.86221 4.397244 0.4749603 
6.012440 
1 1 1 5   33  22 o 51.50033 4.063577  591.7911       87.12374 536.4894       
127.2126 640.6445       119.5658 49.00441 6.183238 53.99624 5.274296 -4.991829 
8.127153 
1 1 1 5   33  23 o 43.14225 4.432745  419.4268       79.90444 397.9203       
116.6452 438.4416       109.6800 41.93144 6.625953 44.35306 5.890131 -2.421616 
8.865489 
1 1 1 5   33  24 o 30.64479 6.208519  224.7463       83.58636 294.1558       
131.2905 177.4373       108.3917 34.25475 9.008578 27.03484 8.545663 7.219917 
12.41704 
1 1 1 5   33  25 f 36.25308 5.938231  331.9937       91.90966 231.4986       
137.2602 413.6757       123.7473 30.13588 9.625822 42.37028 6.956574 -12.23440 
11.87646 
1 1 1 5   33  26 o 19.20118 5.899133  16.35847       89.03030 -10.76287      
133.5133 38.07435       119.4697 18.73567 8.348579 19.66670 8.336685 
-0.9310303     11.79827 
1 1 1 5   33  27 o 27.62717 6.560840  194.5164       90.06178 180.2435       
133.3110 206.5000       122.1524 26.85054 9.471305 28.40379 9.081456 -1.553251 
13.12168 
1 1 1 5   33  28 o 65.32755 3.997202  966.7968       108.8668 973.1268       
163.7834 961.7861       145.7171 65.23058 5.980529 65.42450 5.305071 
-0.1939163     7.994405 
1 1 1 5   33  29 o 16.40838 5.360149  -73.26640      86.21806 13.16074       
132.9378 -136.0134      113.2713 19.11739 8.443449 13.69936 6.605524 5.418026 
10.72030 
1 1 1 5   33  30 o 34.09550 6.277258  305.8621       90.35499 368.7635       
139.0653 259.9093       118.8624 37.03570 9.015853 31.15530 8.736719 5.880400 
12.55452 
1 1 1 5   33  31 o 27.26391 6.451360  196.2551       91.11208 303.1761       
136.6742 110.7321       122.2353 32.52861 9.449476 21.99921 8.785647 10.52940 
12.90272 
1 1 1 5   33  32 o 36.20616 5.809496  344.9793       92.94967 558.9274       
143.0241 188.5478       122.2974 46.87304 7.267870 25.53928 9.065267 21.33376 
11.61899 
1 1 1 5   33  33 o 18.06956 7.875031  41.10868       112.1229 0.000000       
0.000000 41.10868       112.1229 ?        ?        18.06956 7.875031 ? ? 
1 1 1 5   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   34  2  o 25.57267 6.795631  157.5245       74.22315 0.000000       
0.000000 157.5245       74.22315 ?        ?        25.57267 6.795631 ? ? 
1 1 1 5   34  3  o 44.63131 5.142410  442.5617       96.35743 0.000000       
0.000000 442.5617       96.35743 ?        ?        44.63131 5.142410 ? ? 
1 1 1 5   34  4  o 41.78516 3.979127  389.9865       69.13458 463.4297       
100.4150 323.7993       95.32557 45.69408 5.234312 37.87624 5.994646 7.817833 
7.958254 
1 1 1 5   34  5  o 21.41447 5.401167  97.55886       61.07961 117.3045       
92.41569 82.24366       81.39021 22.76635 7.899776 20.06260 7.367766 2.703753 
10.80233 
1 1 1 5   34  6  o 32.09072 4.708547  240.8092       61.34030 257.8370       
88.90491 225.3389       84.74135 33.22889 6.607439 30.95255 6.709949 2.276344 
9.417093 
1 1 1 5   34  7  o 27.92973 8.883477  190.1112       116.9965 0.000000       
0.000000 190.1112       116.9965 ?        ?        27.92973 8.883477 ? ? 
1 1 1 5   34  8  o 22.78815 5.593109  112.9112       65.41911 136.9389       
97.90994 93.53368       87.92639 24.36530 8.141985 21.21101 7.670693 3.154287 
11.18622 
1 1 1 5   34  9  o 75.14246 3.017564  1209.557       93.53381 1288.317       
148.4880 1157.750       120.4293 76.96937 4.595096 73.31556 3.912526 3.653809 
6.035127 
1 1 1 5   34  10 o 68.05466 3.072608  1004.205       87.24055 987.6643       
130.1743 1017.692       117.5438 67.42105 4.598868 68.68826 4.076037 -1.267204 
6.145215 
1 1 1 5   34  11 o 78.93208 2.851444  1338.245       92.08804 1361.297       
148.2234 1323.753       117.5207 79.26006 4.454341 78.60410 3.561150 0.6559601 
5.702889 
1 1 1 5   34  12 o 43.40930 3.874656  412.9704       70.25037 474.2469       
102.5585 358.8062       96.42314 46.51240 5.251993 40.30620 5.698106 6.206200 
7.749312 
1 1 1 5   34  13 o 23.17032 5.624226  102.1468       71.69656 23.57213       
98.15562 192.0206       104.9762 18.01837 7.593118 28.32228 8.298930 -10.30391 
11.24845 
1 1 1 5   34  14 o 34.66860 5.183046  282.2489       73.01883 284.3312       
105.9122 280.3625       100.8054 34.71947 7.479715 34.61773 7.177028 0.1017456 
10.36609 
1 1 1 5   34  15 o 17.75941 5.269411  18.03479       68.58455 -36.13963      
102.9976 61.19177       91.92965 16.00173 7.223373 19.51709 7.673958 -3.515352 
10.53882 
1 1 1 5   34  16 o 33.16679 4.759396  229.0508       69.16547 473.1689       
110.9571 73.91196       88.45360 46.26852 5.712033 20.06506 7.614464 26.20346 
9.518791 
1 1 1 5   34  17 o 58.85137 3.407344  756.4221       83.83486 736.2258       
123.2745 773.7995       114.3488 58.00656 5.061941 59.69619 4.562535 -1.689629 
6.814688 
1 1 1 5   34  18 o 45.44285 4.361977  465.9902       82.17650 418.2351       
121.5882 506.1471       111.4967 43.01448 6.732832 47.87121 5.547644 -4.856728 
8.723954 
1 1 1 5   34  19 o 24.95034 5.965236  142.3470       74.03742 161.2191       
110.9729 127.2085       99.39127 26.13933 8.668131 23.76135 8.197541 2.377983 
11.93047 
1 1 1 5   34  20 o 73.43953 3.228839  1174.485       98.99324 1018.748       
137.6260 1341.440       142.4961 68.25422 4.802774 78.62485 4.316823 -10.37063 
6.457678 
1 1 1 5   34  21 o 34.54417 5.421130  277.4021       79.84827 409.9866       
119.9168 171.7933       107.0247 42.41858 6.733566 26.66977 8.497864 15.74881 
10.84226 
1 1 1 5   34  22 o 70.00921 3.316369  1074.375       97.38023 1099.102       
135.8683 1048.255       139.6421 70.91579 4.563481 69.10263 4.813300 1.813156 
6.632738 
1 1 1 5   34  23 o 22.68531 6.114626  99.74107       83.99036 41.35916       
121.5780 153.0422       116.1673 19.98404 8.437461 25.38659 8.852337 -5.402544 
12.22925 
1 1 1 5   34  24 o 25.17198 6.528188  147.4448       90.77872 131.2107       
130.4604 162.6834       126.3970 24.37691 9.248405 25.96705 9.216071 -1.590145 
13.05638 
1 1 1 5   34  25 o 75.56070 3.755966  1278.031       119.0151 1244.816       
170.7849 1309.389       165.9451 74.47196 5.462326 76.64944 5.156756 -2.177483 
7.511933 
1 1 1 5   34  26 o 37.01653 6.163695  354.5380       94.90101 294.4009       
136.2333 411.2312       132.2748 33.34119 9.354547 40.69185 8.028512 -7.350658 
12.32739 
1 1 1 5   34  27 o 22.25929 6.240485  73.76698       92.04702 187.7215       
138.6252 -16.09429      123.1014 26.90940 9.641415 17.60919 7.925763 9.300209 
12.48097 
1 1 1 5   34  28 f 23.92240 6.256558  135.8604       88.98676 47.78605       
137.8492 198.7838       116.5161 20.43364 8.816008 27.41117 8.880096 -6.977530 
12.51312 
1 1 1 5   34  29 o 24.47333 6.649975  137.2531       94.51176 223.3805       
155.1048 86.38821       119.1964 27.95512 10.18023 20.99154 8.558714 6.963583 
13.29995 
1 1 1 5   34  30 o 21.08702 6.160647  60.49764       92.70291 188.1131       
143.2476 -31.46115      121.5997 25.68099 9.706318 16.49305 7.589577 9.187941 
12.32129 
1 1 1 5   34  31 o 26.52323 6.608676  211.3604       91.88970 195.1399       
137.3692 224.4962       123.6191 25.56156 9.539372 27.48490 9.148705 -1.923336 
13.21735 
1 1 1 5   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   35  2  o 26.45931 6.951765  173.0992       78.23034 0.000000       
0.000000 173.0992       78.23034 ?        ?        26.45931 6.951765 ? ? 
1 1 1 5   35  3  o 45.14022 5.159004  457.9966       97.77063 0.000000       
0.000000 457.9966       97.77063 ?        ?        45.14022 5.159004 ? ? 
1 1 1 5   35  4  o 28.73884 5.161643  201.5413       63.51802 148.9696       
86.95894 261.6727       93.00127 24.59976 7.631631 32.87792 6.951866 -8.278164 
10.32329 
1 1 1 5   35  5  o 22.20192 5.467689  112.6730       68.75694 16.29300       
114.9510 166.3647       85.79707 18.38288 7.992325 26.02095 7.463593 -7.638075 
10.93538 
1 1 1 5   35  6  o 27.13442 5.148773  179.3708       60.05229 163.3732       
84.44693 195.7373       85.41486 25.88111 7.398555 28.38773 7.162460 -2.506624 
10.29755 
1 1 1 5   35  7  o 23.97154 8.999989  127.4311       122.6375 127.4311       
122.6375 0.000000       0.000000 23.97154 8.999989 ?        ?        ? ? 
1 1 1 5   35  8  o 29.11943 5.251070  174.8890       70.76896 367.0625       
115.7965 60.31938       89.40947 39.19897 7.308372 19.03988 7.542060 20.15910 
10.50214 
1 1 1 5   35  9  o 58.55122 3.440680  748.2775       84.15223 821.5714       
127.0495 690.9886       112.3246 61.03110 4.958416 56.07135 4.771501 4.959755 
6.881360 
1 1 1 5   35  10 o 23.90202 5.921731  122.0014       74.40512 184.8914       
114.1070 75.48171       98.13860 27.40528 8.778815 20.39875 7.949842 7.006535 
11.84346 
1 1 1 5   35  11 o 30.16905 5.804025  223.1202       74.20013 225.3183       
119.9221 221.7567       94.45042 30.01733 8.892984 30.32076 7.460673 
-0.3034306     11.60805 
1 1 1 5   35  12 o 68.83495 3.280307  1034.935       94.59724 1056.995       
138.9286 1015.867       129.1656 69.44154 4.765336 68.22836 4.509237 1.213181 
6.560613 
1 1 1 5   35  13 o 63.30034 3.444927  889.0116       89.09322 833.5549       
140.4702 926.3343       115.2374 61.27560 5.460313 65.32507 4.201791 -4.049469 
6.889853 
1 1 1 5   35  14 o 65.85655 3.156086  945.2834       87.24261 972.3514       
123.9541 918.7115       122.8131 66.81490 4.418846 64.89821 4.507474 1.916687 
6.312172 
1 1 1 5   35  15 o 24.47196 5.792709  129.4675       73.61325 207.5166       
108.7932 63.55838       99.97470 29.03270 8.429701 19.91122 7.947457 9.121471 
11.58542 
1 1 1 5   35  16 o 66.86975 3.153047  972.0292       88.08222 1004.567       
132.0981 945.9812       118.1928 67.76936 4.642845 65.97014 4.267413 1.799225 
6.306094 
1 1 1 5   35  17 o 71.66968 3.074690  1121.178       92.26479 1066.979       
133.1619 1171.224       127.9579 69.88422 4.538599 73.45513 4.149216 -3.570915 
6.149380 
1 1 1 5   35  18 o 48.90596 3.888556  526.7066       78.32303 563.8002       
124.9518 502.6995       100.5225 50.07170 5.943896 47.74023 5.015333 2.331474 
7.777112 
1 1 1 5   35  19 f 43.72063 4.634606  444.1435       82.01759 378.1736       
117.2040 507.4500       114.8137 39.87247 7.270988 47.56880 5.749003 -7.696335 
9.269213 
1 1 1 5   35  20 o 60.20463 3.710760  803.1630       93.11063 938.9387       
135.4514 681.5283       128.2039 65.20071 4.948257 55.20855 5.531158 9.992157 
7.421520 
1 1 1 5   35  21 o 79.01976 3.191625  1376.349       105.2861 1267.944       
152.6952 1474.602       145.3689 75.81868 4.797007 82.22084 4.211247 -6.402161 
6.383250 
1 1 1 5   35  22 o 31.39023 6.208486  246.5401       87.09496 332.7065       
129.6952 175.7664       117.5415 36.22719 8.636974 26.55327 8.920978 9.673918 
12.41697 
1 1 1 5   35  23 o 52.46060 4.237189  615.1377       91.92658 783.1353       
140.0992 488.1245       121.8172 58.84655 5.670687 46.07466 6.297490 12.77188 
8.474378 
1 1 1 5   35  24 o 29.15934 6.618909  218.5421       92.35104 279.7514       
139.6760 171.0007       123.0975 32.27345 9.604907 26.04523 9.109643 6.228216 
13.23782 
1 1 1 5   35  25 o 32.91543 6.668748  293.1295       96.49667 282.8197       
148.9551 300.5853       126.6710 31.97192 10.00222 33.85894 8.822950 -1.887018 
13.33750 
1 1 1 5   35  26 o 58.87138 4.311170  796.5632       105.4808 864.5157       
163.2836 747.8968       138.1832 60.70893 6.406358 57.03383 5.770903 3.675095 
8.622340 
1 1 1 5   35  27 o 27.05772 6.012568  119.1124       96.08562 406.0643       
151.7349 -72.98836      124.1497 38.31678 9.473545 15.79865 7.406475 22.51813 
12.02514 
1 1 1 5   35  28 f 42.07072 5.686075  434.8851       96.65959 640.9949       
156.2143 307.0151       123.0427 50.68165 7.341605 33.45979 8.684851 17.22186 
11.37215 
1 1 1 5   35  29 o 17.59936 5.618232  -1.115354      90.27346 -62.16481      
138.9739 43.44664       118.7339 16.54220 7.769744 18.65652 8.117216 -2.114319 
11.23646 
1 1 1 5   35  30 o 18.81198 5.889199  7.471918       93.85457 132.2530       
144.9699 -82.56686      123.1454 22.61158 9.359898 15.01239 7.150035 7.599186 
11.77840 
1 1 1 5   36  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 5   36  3  o 29.30438 7.114981  218.3921       86.78244 0.000000       
0.000000 218.3921       86.78244 ?        ?        29.30438 7.114981 ? ? 
1 1 1 5   36  4  o 16.78409 4.995281  30.95981       60.50959 50.40118       
81.94167 7.644309       89.73537 17.56630 7.119560 16.00189 7.008794 1.564415 
9.990562 
1 1 1 5   36  5  f 26.67281 5.733706  184.3495       69.88966 173.8230       
104.6749 192.8172       93.88146 25.89839 8.418569 27.44722 7.786480 -1.548828 
11.46741 
1 1 1 5   36  6  o 30.94730 4.985831  234.6897       63.33473 216.2404       
86.63869 255.8645       92.81790 29.61024 7.059066 32.28436 7.042986 -2.674126 
9.971663 
1 1 1 5   36  7  o 30.79060 8.689127  247.4978       117.2090 247.4978       
117.2090 0.000000       0.000000 30.79060 8.689127 ?        ?        ? ? 
1 1 1 5   36  8  f 15.10194 4.907078  -50.81202      72.43898 -101.6321      
110.9535 -13.05704      95.63356 14.35931 6.814229 15.84456 7.062856 -1.485246 
9.814156 
1 1 1 5   36  9  o 34.55589 5.174416  282.2186       74.36429 385.2231       
112.7869 203.0040       98.90842 40.69780 6.600987 28.41397 7.970275 12.28384 
10.34883 
1 1 1 5   36  10 o 44.45259 4.326363  445.5133       80.06504 507.8813       
123.3610 400.1197       105.2432 47.02053 6.249011 41.88466 5.984942 5.135864 
8.652726 
1 1 1 5   36  11 o 15.85955 5.103225  -44.53049      74.62161 0.8537388      
112.2824 -80.43305      99.86703 17.65657 7.783995 14.06254 6.601593 3.594031 
10.20645 
1 1 1 5   36  12 o 34.17922 5.636850  304.7338       82.82134 191.8427       
129.4909 382.8850       107.7401 27.48608 9.363462 40.87236 6.278684 -13.38627 
11.27370 
1 1 1 5   36  13 f 79.06583 3.320697  1376.216       109.9800 1419.875       
161.9693 1338.866       149.8116 80.12921 4.814631 78.00245 4.574653 2.126762 
6.641395 
1 1 1 5   36  14 o 18.38382 5.788142  -7.973423      89.28718 3.874414       
137.2181 -16.67350      117.5854 19.34274 8.556087 17.42490 7.797675 1.917839 
11.57628 
1 1 1 5   36  15 o 48.35747 4.552749  533.9088       90.05639 554.5537       
145.2143 521.0065       114.7985 48.65071 7.109534 48.06422 5.688992 0.5864868 
9.105498 
1 1 1 5   36  16 o 26.49150 6.074834  175.0787       78.01761 148.5849       
112.5765 199.5615       108.2195 24.84707 8.709646 28.13594 8.470921 -3.288864 
12.14967 
1 1 1 5   36  17 o 54.32568 3.618763  659.8871       82.16863 615.0136       
118.8213 701.0137       113.7523 52.36838 5.404385 56.28299 4.813980 -3.914608 
7.237525 
1 1 1 5   36  18 o 35.72241 4.958603  307.4043       72.44528 252.7250       
104.8275 357.3956       100.2331 31.85868 7.872619 39.58615 6.030993 -7.727476 
9.917207 
1 1 1 5   36  19 o 32.89935 5.705907  271.5125       78.27926 283.8822       
113.0035 260.1009       108.5386 33.62063 8.091611 32.17807 8.047070 1.442566 
11.41181 
1 1 1 5   36  20 o 33.54829 5.301736  282.2161       75.78403 181.6434       
109.5602 374.4828       104.9387 26.74987 8.605484 40.34672 6.195100 -13.59685 
10.60347 
1 1 1 5   36  21 o 34.09203 5.905719  297.8067       83.78533 307.7914       
113.9069 286.0359       123.6757 35.02949 7.928901 33.15457 8.754577 1.874920 
11.81144 
1 1 1 5   36  22 o 29.42825 5.395247  197.5903       80.27100 397.6239       
119.7943 34.58721       108.1390 40.30990 7.351047 18.54659 7.899168 21.76331 
10.79049 
1 1 1 5   36  23 o 24.55795 6.219488  150.0066       84.00710 96.51929       
126.6793 191.9923       112.2356 22.01638 8.881410 27.09953 8.709114 -5.083149 
12.43898 
1 1 1 5   36  24 o 32.23049 6.658211  275.6816       99.51341 405.1326       
151.5303 177.5126       131.9575 38.49717 9.435908 25.96380 9.396314 12.53337 
13.31642 
1 1 1 5   36  25 o 34.86170 6.101634  308.8495       92.77087 497.6319       
145.8548 180.5856       120.2243 43.81378 8.232188 25.90963 9.008374 17.90415 
12.20327 
1 1 1 5   36  26 o 43.57566 5.429588  491.7128       94.99681 430.0156       
142.2545 541.3724       127.6247 39.71304 8.766893 47.43827 6.408063 -7.725231 
10.85918 
1 1 1 5   36  27 f 21.96134 6.235042  100.9673       88.86485 191.5356       
138.3267 37.32090       115.9591 25.60345 9.569077 18.31923 7.995983 7.284220 
12.47008 
1 1 1 5   36  28 o 19.23467 5.945508  52.71347       90.00378 61.05566       
138.6357 46.63592       118.3312 19.87253 8.707821 18.59682 8.097537 1.275715 
11.89102 
1 1 1 5   37  3  o 20.80913 7.585084  110.8899       86.12315 0.000000       
0.000000 110.8899       86.12315 ?        ?        20.80913 7.585084 ? ? 
1 1 1 5   37  4  o 22.46674 7.965765  135.0912       94.40665 0.000000       
0.000000 135.0912       94.40665 ?        ?        22.46674 7.965765 ? ? 
1 1 1 5   37  5  o 38.08356 4.686647  359.5516       73.21052 356.0966       
100.5484 363.4499       106.8053 38.34781 6.245335 37.81931 6.989596 0.5284920 
9.373295 
1 1 1 5   37  6  o 17.04970 5.258619  1.916286       75.43063 -77.80506      
108.0098 77.81510       105.3885 14.33410 6.766607 19.76531 8.051418 -5.431205 
10.51724 
1 1 1 5   37  7  o 16.55609 7.113311  23.91150       89.04939 23.91150       
89.04939 0.000000       0.000000 16.55609 7.113311 ?        ?        ? ? 
1 1 1 5   37  8  o 53.50100 3.821172  656.8060       85.82380 654.1922       
120.5879 659.4889       122.1740 53.41566 5.377199 53.58634 5.430576 
-0.1706734     7.642344 
1 1 1 5   37  9  o 22.75704 6.050815  123.0290       77.98425 127.3955       
119.5770 119.7973       102.8714 23.11748 8.829741 22.39660 8.275574 0.7208862 
12.10163 
1 1 1 5   37  10 o 37.18147 5.241173  341.6407       78.34723 364.2577       
119.5155 324.5973       103.7491 38.00281 7.759230 36.36013 7.047973 1.642685 
10.48235 
1 1 1 5   37  11 o 25.36375 6.028656  159.1291       75.76431 209.0331       
116.8256 122.9049       99.53358 28.06087 8.872098 22.66664 8.164844 5.394236 
12.05731 
1 1 1 5   37  12 o 50.57336 4.061674  590.8364       84.68813 556.7563       
129.8518 616.0623       111.7177 48.83313 6.333656 52.31361 5.086608 -3.480480 
8.123347 
1 1 1 5   37  13 f 20.38322 5.964829  67.12364       83.22726 35.17942       
133.1591 87.60300       106.6186 19.84901 8.615469 20.91744 8.251693 -1.068428 
11.92966 
1 1 1 5   37  14 o 41.63020 5.317772  425.3214       90.09895 500.7073       
128.7112 352.8882       126.1652 46.13134 6.645711 37.12906 8.303574 9.002289 
10.63554 
1 1 1 5   37  15 o 34.04824 6.542199  311.2689       95.98375 321.1892       
135.6103 301.3100       135.8732 34.66845 9.173191 33.42803 9.330275 1.240417 
13.08440 
1 1 1 5   37  16 o 21.13976 6.317498  64.81794       96.73968 44.31286       
139.7360 83.69144       134.0615 20.49754 8.860250 21.78197 9.007725 -1.284430 
12.63500 
1 1 1 5   37  17 o 47.33090 4.762507  513.9984       92.01827 598.2308       
152.5141 465.7853       115.3860 49.83647 7.289265 44.82533 6.131275 5.011135 
9.525015 
1 1 1 5   37  18 o 59.06776 3.669228  789.9739       90.68053 755.7819       
131.6653 820.8273       125.0718 57.64147 5.440734 60.49405 4.924566 -2.852585 
7.338456 
1 1 1 5   37  19 o 33.92361 5.157768  249.4669       78.93124 530.3841       
129.8974 85.02822       99.38330 47.43117 6.523156 20.41605 7.991166 27.01512 
10.31554 
1 1 1 5   37  20 o 48.05016 4.811072  544.5616       91.77567 740.1441       
138.7620 392.4818       122.3605 56.56620 5.842984 39.53412 7.644946 17.03207 
9.622145 
1 1 1 5   37  21 o 21.16856 5.891319  80.73555       84.63898 -24.17322      
128.0513 162.1295       112.7909 17.39976 7.923977 24.93735 8.720157 -7.537584 
11.78264 
1 1 1 5   37  22 o 21.09902 5.871549  12.38586       85.78241 236.6489       
141.4402 -118.1041      107.8903 28.70575 9.785955 13.49229 6.491181 15.21346 
11.74310 
1 1 1 5   37  23 o 38.65543 6.004475  406.3672       94.07887 371.8081       
144.3640 431.8779       124.0335 36.12885 9.421122 41.18201 7.446969 -5.053165 
12.00895 
1 1 1 5   37  24 o 24.43401 5.498598  65.03307       91.43971 359.1184       
133.0537 -198.1752      125.8752 35.73439 8.893373 13.13364 6.468867 22.60075 
10.99720 
1 1 1 5   37  25 o 37.46173 6.264717  398.5899       96.14790 393.7383       
148.9610 402.0546       125.8815 36.28416 9.620294 38.63931 8.027244 -2.355141 
12.52943 
1 1 1 5   37  26 o 45.16981 5.435310  551.9656       96.25500 384.8441       
139.4841 703.9054       132.9978 36.23626 9.158989 54.10335 5.855193 -17.86709 
10.87062 
1 1 1 5   38  7  o 15.56515 5.191976  -41.34258      78.67574 -19.41171      
89.41450 -116.5465      165.5771 14.51072 6.611823 16.61958 8.006886 -2.108862 
10.38395 
1 1 1 5   38  8  o 21.90141 5.694780  111.0809       69.44717 58.86917       
88.58435 194.3445       111.8667 17.86796 7.347139 25.93487 8.702966 -8.066908 
11.38956 
1 1 1 5   38  9  o 20.62487 5.743648  85.54177       79.21465 169.2960       
111.2822 -0.4910055     112.7858 24.51861 8.652980 16.73113 7.555389 7.787481 
11.48730 
1 1 1 5   38  10 o 20.62379 5.890107  94.15018       78.00224 106.3665       
121.0452 85.47463       102.0059 21.37252 8.656879 19.87505 7.989487 1.497473 
11.78021 
1 1 1 5   38  11 o 29.02505 5.694369  212.3722       80.94812 385.3391       
123.5745 82.36808       107.1336 38.09077 7.983470 19.95934 8.122042 18.13144 
11.38874 
1 1 1 5   38  12 o 49.63429 4.259909  581.2534       87.99619 626.4524       
135.2151 548.0468       115.8972 51.00391 6.314555 48.26468 5.719587 2.739231 
8.519817 
1 1 1 5   38  13 o 20.70150 5.784829  67.98154       80.20477 178.9687       
120.3926 -20.58173      107.5450 25.42196 8.997334 15.98104 7.273579 9.440920 
11.56966 
1 1 1 5   38  14 o 33.66599 5.983294  302.4760       83.71031 348.1385       
129.9163 270.0598       109.4626 35.60248 8.743662 31.72950 8.169923 3.872986 
11.96659 
1 1 1 5   38  15 o 29.14435 5.657103  194.4781       86.20853 428.0785       
132.8728 24.66006       113.2900 40.34101 8.130567 17.94769 7.867983 22.39332 
11.31421 
1 1 1 5   38  16 o 42.21658 5.843297  469.6644       99.65979 493.9102       
146.8602 448.9688       135.6829 43.08039 8.420144 41.35278 8.104176 1.727615 
11.68659 
1 1 1 5   38  17 o 34.27434 6.850253  341.1407       103.4481 400.5969       
152.0479 289.8990       141.1541 37.22024 9.651338 31.32844 9.723969 5.891806 
13.70051 
1 1 1 5   38  18 o 21.50871 6.166151  68.57014       98.05020 202.4224       
136.7189 -73.17952      140.6944 26.47707 9.566083 16.54034 7.783041 9.936733 
12.33230 
1 1 1 5   38  19 o 46.89629 5.396139  561.3150       102.2773 685.5984       
150.2537 454.0078       139.6153 52.75846 6.783504 41.03411 8.393886 11.72435 
10.79228 
1 1 1 5   38  20 o 24.96385 6.207675  160.4651       80.48917 248.5527       
129.9952 105.6990       102.5004 28.95966 9.379483 20.96805 8.134262 7.991606 
12.41535 
1 1 1 5   38  21 o 30.19901 6.401290  262.4930       87.09759 308.5074       
132.8528 227.8079       115.3438 32.29905 9.295019 28.09897 8.803902 4.200073 
12.80258 
1 1 1 5   38  22 o 27.46412 6.887802  235.7482       104.4789 300.6591       
141.2080 157.2277       155.3073 31.15135 9.737267 23.77689 9.744377 7.374454 
13.77560 
1 1 1 5   38  23 o 21.66425 6.442397  102.6677       98.88710 59.42265       
129.6966 162.7140       152.8282 19.46152 8.475816 23.86697 9.704557 -4.405447 
12.88479 
1 1 1 5   39  14 o 40.77668 5.857686  453.8894       94.85381 477.7652       
152.2080 438.7295       121.2849 40.56534 9.154173 40.98801 7.311022 
-0.4226761     11.71537 
1 1 1 5   39  15 o 24.41374 6.238840  174.1678       87.96548 89.86374       
141.4982 227.2733       112.3043 20.88605 8.969937 27.94144 8.673680 -7.055395 
12.47768 
1 1 1 5   39  16 o 19.74485 5.994443  69.26305       90.26546 34.99436       
136.2962 96.03662       120.4726 18.86347 8.419504 20.62623 8.534948 -1.762764 
11.98889 
1 1 1 5   39  17 o 35.41250 6.584392  372.0234       98.69319 387.9676       
149.1361 359.6005       131.6417 35.58089 9.713776 35.24411 8.891538 0.3367882 
13.16878 
1 1 1 6   -32 0  o 49.58834 5.457747  635.2310       107.1868 474.4994       
151.1110 797.9952       152.0635 41.50682 8.927640 57.66986 6.280544 -16.16304 
10.91549 
1 1 1 6   -32 1  o 24.83932 6.375845  172.9544       86.31054 141.8427       
117.7896 209.0278       126.8348 23.03303 8.773386 26.64560 9.253827 -3.612572 
12.75169 
1 1 1 6   -32 2  o 36.13210 6.230093  366.7227       93.00542 318.4562       
122.0469 433.5723       143.6328 33.41787 8.638272 38.84634 8.979784 -5.428478 
12.46019 
1 1 1 6   -31 0  o 55.11239 4.257008  701.0817       97.57162 819.8820       
140.2877 589.7667       135.7961 59.99756 5.569381 50.22721 6.439756 9.770351 
8.514016 
1 1 1 6   -31 1  o 44.36015 5.386017  478.4728       97.35598 407.8856       
128.3283 574.1870       149.4333 40.13389 7.897450 48.58641 7.325777 -8.452518 
10.77203 
1 1 1 6   -31 2  o 15.91484 5.161875  -51.56141      82.29040 21.08467       
106.9296 -157.0770      128.8695 17.60016 7.680276 14.22952 6.898780 3.370649 
10.32375 
1 1 1 6   -31 3  o 24.25574 6.278451  154.5405       89.12441 226.7095       
121.7593 71.24567       130.8085 28.15081 9.073517 20.36067 8.680269 7.790140 
12.55690 
1 1 1 6   -31 4  o 24.43513 5.987690  165.6964       83.32636 242.3594       
109.8357 61.74500       127.8986 29.26868 8.460880 19.60158 8.474858 9.667103 
11.97538 
1 1 1 6   -31 5  o 26.14713 6.133726  203.0481       84.28564 262.3203       
110.7927 121.6174       129.8613 30.38163 8.407116 21.91262 8.933687 8.469011 
12.26745 
1 1 1 6   -30 0  o 43.52358 5.609158  459.2933       98.11388 429.2967       
130.4527 498.3590       148.8728 42.06057 7.671970 44.98659 8.184832 -2.926018 
11.21832 
1 1 1 6   -30 1  o 36.03952 6.251002  339.1676       94.65107 389.2264       
128.7494 280.2949       139.6246 39.61753 8.020779 32.46151 9.589954 7.156021 
12.50200 
1 1 1 6   -30 2  o 48.40098 5.039139  582.4518       93.10881 659.0327       
119.4476 463.8663       148.6392 54.13469 5.255606 42.66727 8.599436 11.46742 
10.07828 
1 1 1 6   -30 3  o 28.98990 6.274411  224.9658       84.88097 255.7819       
113.6316 186.0647       127.6708 31.33352 8.445649 26.64628 9.281377 4.687237 
12.54882 
1 1 1 6   -30 4  o 27.66197 6.311570  187.4975       85.30879 111.9820       
109.0367 306.6739       136.9776 22.06198 8.430150 33.26195 9.395542 -11.19997 
12.62314 
1 1 1 6   -30 5  o 66.52776 3.816082  978.5414       99.67594 900.6788       
119.5432 1156.162       180.5540 63.31261 4.497340 69.74289 6.166350 -6.430275 
7.632164 
1 1 1 6   -30 6  o 60.90083 4.186447  794.6683       98.54451 662.7923       
115.3301 1151.394       189.6825 53.44952 5.139488 68.35214 6.609919 -14.90262 
8.372894 
1 1 1 6   -30 7  o 25.31311 6.500379  145.0949       84.45647 73.33580       
99.43806 330.8824       160.0009 18.97498 7.790240 31.65124 10.40826 -12.67625 
13.00076 
1 1 1 6   -29 0  f 20.73290 5.883661  64.34309       77.49986 41.17051       
101.8187 96.25911       119.4936 18.93402 7.841271 22.53179 8.774073 -3.597776 
11.76732 
1 1 1 6   -29 1  o 24.81033 6.166238  130.5047       87.07531 31.27615       
125.6290 222.2501       120.7991 19.85640 8.487261 29.76427 8.947423 -9.907869 
12.33248 
1 1 1 6   -29 2  o 33.57280 5.899555  296.7933       87.84962 369.9125       
111.5793 177.5508       142.4897 40.13128 6.622496 27.01431 9.765323 13.11697 
11.79911 
1 1 1 6   -29 3  o 29.73034 6.003432  241.8704       85.31279 306.8909       
104.0493 108.4882       149.0262 35.70170 7.194232 23.75898 9.612897 11.94272 
12.00686 
1 1 1 6   -29 4  o 35.22502 6.294973  299.0886       89.44897 243.6450       
109.1610 412.3993       156.0547 30.97089 8.246335 39.47914 9.513397 -8.508247 
12.58995 
1 1 1 6   -29 5  o 26.43382 6.744590  170.2985       97.61614 108.2853       
130.8938 248.0070       146.5250 22.80686 9.096718 30.06078 9.960307 -7.253914 
13.48918 
1 1 1 6   -29 6  o 22.02651 6.008601  104.6933       84.76236 160.9013       
104.5865 -2.890448      144.6939 25.01670 8.415011 19.03633 8.579085 5.980362 
12.01720 
1 1 1 6   -29 7  o 33.71296 6.690206  297.1778       92.05302 250.9770       
109.4995 408.5124       169.9817 30.57551 8.312854 36.85040 10.48484 -6.274889 
13.38041 
1 1 1 6   -29 8  o 36.79624 6.439038  378.0672       98.22417 317.2404       
127.8447 465.7064       153.4562 33.27642 8.953312 40.31607 9.256515 -7.039654 
12.87808 
1 1 1 6   -29 9  o 29.78763 7.087949  277.0969       105.9618 206.8529       
140.6677 369.2391       161.1088 25.92482 9.657535 33.65043 10.37729 -7.725609 
14.17590 
1 1 1 6   -28 0  o 23.75422 5.908963  122.1632       75.48827 160.3684       
98.87337 68.76931       116.8863 26.15545 8.142384 21.35299 8.565335 4.802458 
11.81793 
1 1 1 6   -28 1  f 25.80138 5.676653  160.0170       78.31001 238.6272       
96.88686 11.89654       132.9943 31.75588 7.397724 19.84688 8.612274 11.90900 
11.35331 
1 1 1 6   -28 2  o 55.67300 4.674560  723.0953       99.35877 763.5370       
120.6397 637.8187       175.1826 59.08850 4.863047 52.25751 7.984787 6.830997 
9.349120 
1 1 1 6   -28 3  o 30.61686 6.014749  197.9790       83.57277 96.65295       
104.0681 382.0002       140.2462 21.92943 8.277613 39.30429 8.728684 -17.37486 
12.02950 
1 1 1 6   -28 4  o 54.99561 4.478231  647.9931       98.35674 567.1118       
119.1407 821.0835       174.2901 50.35560 5.635515 59.63563 6.961264 -9.280033 
8.956462 
1 1 1 6   -28 5  o 31.29272 6.385867  251.0896       86.00452 253.8681       
105.0396 245.4381       149.8062 32.06524 7.854164 30.52021 10.07121 1.545027 
12.77173 
1 1 1 6   -28 6  o 28.40722 6.526742  208.4117       87.34897 211.8351       
107.8508 201.8849       148.9172 28.87240 8.396328 27.94203 9.994755 0.9303646 
13.05348 
1 1 1 6   -28 7  o 49.50270 4.765088  556.5740       94.93491 509.4161       
116.8128 648.3191       162.9313 47.13844 5.902503 51.86697 7.482293 -4.728539 
9.530176 
1 1 1 6   -28 8  o 17.08128 5.524848  -32.45533      88.37158 -25.03485      
116.6260 -42.46046      135.4224 16.74571 7.608985 17.41686 8.012437 
-0.6711559     11.04970 
1 1 1 6   -28 9  o 22.43444 6.441176  111.4377       94.28978 91.29152       
126.8744 136.2916       140.9208 21.29248 8.780348 23.57641 9.426584 -2.283928 
12.88235 
1 1 1 6   -28 10 o 25.60173 6.707250  192.9183       95.80349 189.1697       
139.0551 196.3053       132.1795 25.37884 9.571715 25.82462 9.398461 
-0.4457760     13.41450 
1 1 1 6   -28 11 o 23.15432 6.300447  149.2825       86.30502 155.6834       
118.3580 142.0146       126.1188 23.50153 8.838008 22.80712 8.981766 0.6944141 
12.60089 
1 1 1 6   -27 0  o 22.72561 5.596821  70.54285       70.71439 -9.219853      
89.51240 202.9674       115.3367 16.04634 7.014380 29.40488 8.723308 -13.35854 
11.19364 
1 1 1 6   -27 1  o 51.55759 4.238239  587.9162       85.04158 594.6425       
103.1643 573.6542       150.2216 52.47322 4.682877 50.64196 7.065503 1.831257 
8.476478 
1 1 1 6   -27 2  o 53.70794 3.973303  601.5471       85.74322 532.0026       
104.6777 743.3530       149.4755 49.45136 5.041931 57.96452 6.142270 -8.513161 
7.946606 
1 1 1 6   -27 3  o 38.10582 5.651400  329.1430       85.99566 267.2651       
108.8278 432.0155       140.3208 33.51181 7.862192 42.69983 8.120297 -9.188019 
11.30280 
1 1 1 6   -27 4  o 50.52214 5.091349  610.3802       98.51145 677.1838       
125.2723 502.1259       159.4694 55.45374 5.380782 45.59055 8.644913 9.863197 
10.18270 
1 1 1 6   -27 5  o 30.87093 6.561594  226.7168       84.92406 211.5088       
99.57375 267.2971       162.6544 29.54824 7.879694 32.19362 10.49421 -2.645376 
13.12319 
1 1 1 6   -27 6  o 53.76541 4.336293  653.3048       93.88650 655.1180       
117.7736 650.1436       155.5071 54.42455 5.154351 53.10627 6.974699 1.318283 
8.672586 
1 1 1 6   -27 7  o 69.72383 3.825541  1103.410       108.9971 1182.462       
142.6121 992.3705       169.0213 73.33968 4.631679 66.10798 6.089879 7.231697 
7.651083 
1 1 1 6   -27 8  o 59.95827 4.093242  841.4732       98.78069 957.9812       
129.7928 681.0956       152.2805 65.82100 4.696854 54.09555 6.705079 11.72545 
8.186484 
1 1 1 6   -27 9  o 52.49694 4.479028  641.7531       97.64909 653.3833       
130.1026 626.7493       147.7721 53.45377 5.797341 51.54011 6.829174 1.913658 
8.958056 
1 1 1 6   -27 10 o 18.28341 5.798851  0.2160430      90.17759 -6.593010      
146.6988 4.351760       114.3296 19.00784 8.598337 17.55897 7.783014 1.448872 
11.59770 
1 1 1 6   -27 11 o 38.45548 5.749790  393.2105       89.88354 357.4004       
130.6790 425.3636       123.8266 36.12637 8.705727 40.78460 7.513365 -4.658230 
11.49958 
1 1 1 6   -27 12 o 22.97996 5.880989  124.2071       85.39921 243.9057       
117.1059 -11.75248      124.8071 28.95111 8.831077 17.00880 7.768926 11.94231 
11.76198 
1 1 1 6   -26 0  o 111.3524 3.930879  2696.299       173.1698 2733.856       
213.1180 2623.313       297.0901 113.0498 4.490259 109.6551 6.453280 3.394714 
7.861758 
1 1 1 6   -26 1  o 126.2002 3.812662  3398.781       194.1875 3285.167       
241.5748 3606.254       326.4500 123.7283 4.650544 128.6720 6.043014 -4.943733 
7.625324 
1 1 1 6   -26 2  o 76.88557 3.418911  1279.206       108.5165 1306.504       
142.1296 1241.051       168.0332 78.06685 4.336497 75.70431 5.286832 2.362541 
6.837821 
1 1 1 6   -26 3  o 81.04929 3.510468  1416.230       116.8902 1398.045       
150.2313 1444.129       186.0777 80.63294 4.437814 81.46562 5.440528 
-0.8326797     7.020936 
1 1 1 6   -26 4  o 82.77174 3.801020  1497.833       128.8575 1509.602       
165.6285 1479.786       205.0972 83.54239 4.722252 82.00111 5.957460 1.541283 
7.602039 
1 1 1 6   -26 5  o 50.79771 4.353899  540.3508       89.82732 450.3123       
111.1229 710.1232       152.5889 45.16532 5.860297 56.43010 6.440703 -11.26478 
8.707798 
1 1 1 6   -26 6  o 36.60221 5.579483  317.1134       81.95486 307.6707       
105.8461 331.2487       129.5035 36.25080 7.210680 36.95362 8.516372 
-0.7028236     11.15897 
1 1 1 6   -26 7  o 56.34533 3.845977  677.9315       88.64706 600.0000       
111.2230 813.6528       146.7784 52.25094 5.070160 60.43972 5.784431 -8.188778 
7.691955 
1 1 1 6   -26 8  o 40.56516 5.008473  381.0937       83.24754 340.5281       
112.1034 430.9649       124.2983 37.81288 7.322921 43.31743 6.834767 -5.504547 
10.01695 
1 1 1 6   -26 9  o 33.78498 6.051866  289.4873       86.42971 252.7755       
124.3054 323.8460       120.2553 31.40513 8.975927 36.16483 8.119916 -4.759706 
12.10373 
1 1 1 6   -26 10 o 33.41793 6.514655  272.9979       94.76692 414.2668       
154.6717 188.0926       119.9099 39.69778 9.411455 27.13808 9.010406 12.55970 
13.02931 
1 1 1 6   -26 11 o 54.09088 4.394493  678.7012       99.69202 640.8721       
139.9002 717.7277       142.0971 52.44300 6.354068 55.73876 6.072240 -3.295761 
8.788986 
1 1 1 6   -26 12 o 16.20912 5.328309  -55.29967      86.99901 -51.17572      
116.1147 -60.57775      131.3615 15.84071 7.338120 16.57753 7.727580 
-0.7368183     10.65662 
1 1 1 6   -26 13 o 24.09241 6.597489  142.4370       95.12740 81.74207       
122.2592 235.5587       151.4368 20.42434 8.533590 27.76049 10.06406 -7.336151 
13.19498 
1 1 1 6   -26 14 o 23.10233 6.327469  107.4923       95.56676 -13.19414      
125.2989 275.3409       147.7668 16.92278 7.752352 29.28187 10.00243 -12.35909 
12.65494 
1 1 1 6   -25 0  o 73.95573 3.322118  1141.185       95.32876 1101.855       
113.8547 1233.414       174.3497 72.08014 3.762325 75.83132 5.476383 -3.751183 
6.644235 
1 1 1 6   -25 1  o 136.4268 3.829155  4021.241       214.1381 4116.011       
276.6631 3879.631       338.1937 138.8003 4.747686 134.0533 6.009093 4.746918 
7.658310 
1 1 1 6   -25 2  o 20.80440 5.656425  65.15424       72.16938 105.5364       
94.22031 7.829437       112.2589 22.81366 7.970738 18.79514 8.027945 4.018526 
11.31285 
1 1 1 6   -25 3  o 60.77161 4.075014  814.5208       99.02155 853.2551       
124.4806 747.7739       163.4065 63.08980 4.699631 58.45343 6.658561 4.636372 
8.150028 
1 1 1 6   -25 4  o 40.91203 5.268869  434.5261       81.61939 576.6390       
104.2697 209.6769       131.1557 51.77764 4.796639 30.04643 9.382760 21.73121 
10.53774 
1 1 1 6   -25 5  o 88.04468 3.604226  1666.929       132.2422 1593.301       
175.1331 1764.598       201.7073 85.92030 4.855047 90.16907 5.328256 -4.248772 
7.208453 
1 1 1 6   -25 6  o 26.69165 6.038079  162.7610       80.81481 224.3734       
108.9960 87.53478       120.4374 30.77082 8.261516 22.61247 8.808004 8.158354 
12.07616 
1 1 1 6   -25 7  o 52.67595 4.115837  617.6144       89.41343 649.6142       
118.1333 574.6951       136.8125 54.56051 5.157214 50.79139 6.415887 3.769127 
8.231674 
1 1 1 6   -25 8  o 27.71143 5.671835  157.2135       80.89435 24.56988       
108.5989 322.5531       121.2470 18.75394 7.948991 36.66891 8.092737 -17.91496 
11.34367 
1 1 1 6   -25 9  o 51.25004 4.504921  579.4879       95.70179 474.4318       
125.8753 723.4042       147.3279 45.76358 6.551515 56.73650 6.185055 -10.97292 
9.009842 
1 1 1 6   -25 10 o 36.65173 6.240720  343.9751       102.0287 469.2324       
140.2700 203.2522       148.6776 44.79419 7.458718 28.50927 10.00769 16.28491 
12.48144 
1 1 1 6   -25 11 f 20.66474 6.175968  50.52451       92.24039 61.78282       
125.7474 37.41011       135.7177 20.90098 8.688529 20.42850 8.779510 0.4724751 
12.35194 
1 1 1 6   -25 12 o 25.65297 6.419186  164.8410       86.18343 175.9908       
111.0753 147.9745       136.6137 26.33662 8.672127 24.96932 9.466680 1.367308 
12.83837 
1 1 1 6   -25 13 o 18.10893 5.409101  -23.73792      87.16981 120.6716       
108.7050 -283.8738      145.8988 22.69650 8.482806 13.52137 6.713827 9.175124 
10.81820 
1 1 1 6   -25 14 o 34.95943 6.595626  327.9501       95.39618 280.1724       
118.3362 416.6295       161.2191 32.08072 8.605967 37.83814 9.997324 -5.757423 
13.19125 
1 1 1 6   -25 15 o 21.92774 6.405055  96.83115       96.45228 29.07550       
124.8450 197.1511       151.9120 18.32174 8.125575 25.53374 9.903228 -7.211994 
12.81011 
1 1 1 6   -24 0  o 84.24690 3.152642  1477.562       104.0238 1427.541       
125.2181 1588.969       186.8715 82.15234 3.630515 86.34146 5.155190 -4.189125 
6.305285 
1 1 1 6   -24 1  o 87.54050 3.580662  1600.650       121.1170 1550.212       
144.2724 1721.054       222.9054 85.50706 4.018855 89.57395 5.927342 -4.066895 
7.161325 
1 1 1 6   -24 2  o 48.21405 4.336197  514.8182       85.05215 593.9332       
113.6402 414.0636       128.2433 52.72687 5.133586 43.70123 6.989758 9.025646 
8.672394 
1 1 1 6   -24 3  o 28.84848 6.187153  184.9111       80.52625 172.9947       
105.0957 201.8541       125.3170 27.78469 8.344262 29.91227 9.137654 -2.127581 
12.37431 
1 1 1 6   -24 4  o 30.07736 5.799685  206.9829       76.14890 246.4708       
107.4477 167.1355       107.9356 32.81301 7.885760 27.34172 8.506477 5.471287 
11.59937 
1 1 1 6   -24 5  o 47.62354 4.371673  496.2598       85.75334 512.3423       
112.1916 473.6615       132.9911 48.73114 5.483716 46.51595 6.809917 2.215187 
8.743346 
1 1 1 6   -24 6  o 59.69245 3.518031  765.6218       88.06309 804.6322       
128.3298 730.9019       121.0673 61.11850 5.001218 58.26639 4.949142 2.852112 
7.036063 
1 1 1 6   -24 7  o 68.66246 3.553552  1039.538       99.45055 1124.817       
129.7322 918.0052       154.8725 72.42458 4.266610 64.90035 5.683923 7.524223 
7.107105 
1 1 1 6   -24 8  o 74.61564 3.632604  1215.085       111.8701 1241.260       
146.5156 1178.493       173.2366 75.83389 4.601948 73.39738 5.621862 2.436508 
7.265209 
1 1 1 6   -24 9  o 52.10569 5.263475  656.3073       102.5187 735.5333       
128.2846 516.2885       170.5430 57.99257 5.268941 46.21882 9.113449 11.77375 
10.52695 
1 1 1 6   -24 10 o 17.13230 5.558160  -62.21549      90.90940 -40.58147      
124.0021 -87.35535      133.6725 17.44029 7.896405 16.82430 7.824280 0.6159935 
11.11632 
1 1 1 6   -24 11 o 66.72657 4.038941  1012.623       109.0355 1086.280       
140.5436 901.2650       172.8079 70.43780 4.752545 63.01534 6.531882 7.422455 
8.077882 
1 1 1 6   -24 12 o 38.50874 5.753117  319.5993       85.79572 229.7939       
102.4866 529.9501       156.8512 30.54000 7.925914 46.47748 8.341062 -15.93748 
11.50623 
1 1 1 6   -24 13 o 39.93831 5.566685  362.3821       84.76092 307.7560       
101.3552 489.4534       154.5860 35.81924 6.989209 44.05738 8.666192 -8.238136 
11.13337 
1 1 1 6   -24 14 o 23.06887 6.366096  105.2454       86.21467 69.52736       
107.1672 170.7690       145.1500 20.08232 8.140895 26.05541 9.789511 -5.973083 
12.73219 
1 1 1 6   -24 15 o 27.40667 6.750332  194.5104       94.11663 142.9865       
119.9504 277.0386       151.8095 23.90235 8.915280 30.91099 10.13833 -7.008644 
13.50066 
1 1 1 6   -24 16 o 18.69965 5.824951  13.74424       95.89339 100.5068       
123.1824 -119.7084      152.7728 21.23828 8.686820 16.16101 7.762691 5.077265 
11.64990 
1 1 1 6   -24 17 o 18.19629 5.806287  16.59284       94.61680 35.43171       
126.3378 -7.469662      142.7829 18.48135 8.188008 17.91124 8.234586 0.5701141 
11.61257 
1 1 1 6   -23 0  o 109.7600 3.662459  2519.818       140.3723 2487.890       
158.8106 2633.863       300.1455 108.5624 3.484344 110.9576 6.443119 -2.395142 
7.324918 
1 1 1 6   -23 1  o 220.7929 5.712651  10558.99       524.9320 10500.66       
697.5036 10635.17       797.1718 220.5465 7.532988 221.0393 8.590206 
-0.4927216     11.42530 
1 1 1 6   -23 2  o 141.2726 3.950503  4274.411       222.2379 4305.640       
274.6570 4215.196       378.2092 142.4035 4.593999 140.1417 6.428146 2.261826 
7.901006 
1 1 1 6   -23 3  o 92.69547 3.641420  1866.891       135.8281 1969.296       
172.2500 1698.518       220.8700 96.34595 4.258405 89.04498 5.908108 7.300972 
7.282840 
1 1 1 6   -23 4  o 20.62371 5.920996  44.87311       79.59881 60.05296       
103.1590 22.53607       125.1371 20.74513 8.137139 20.50230 8.603472 0.2428360 
11.84199 
1 1 1 6   -23 5  o 89.16646 3.439632  1695.916       128.6761 1665.895       
178.1377 1728.671       186.0725 88.36076 4.801949 89.97215 4.926008 -1.611382 
6.879263 
1 1 1 6   -23 6  o 38.39519 5.102640  329.8997       79.36603 217.9870       
109.0458 455.9604       115.7335 30.84379 8.255410 45.94659 5.999662 -15.10281 
10.20528 
1 1 1 6   -23 7  o 37.57867 5.226377  325.5713       79.22005 368.0012       
104.4005 267.9801       121.6312 41.18716 6.037567 33.97018 8.532750 7.216976 
10.45275 
1 1 1 6   -23 8  o 80.53692 3.588252  1410.496       114.6430 1437.381       
141.6606 1359.468       195.1624 82.02258 4.113740 79.05125 5.880421 2.971329 
7.176504 
1 1 1 6   -23 9  f 86.46111 3.395400  1634.905       120.8474 1754.456       
160.0045 1476.145       184.3850 90.46037 4.213034 82.46184 5.325909 7.998528 
6.790800 
1 1 1 6   -23 10 f 77.99014 3.814614  1329.262       121.8040 1334.610       
156.3055 1320.993       194.3611 78.53172 4.740785 77.44858 5.977465 1.083138 
7.629229 
1 1 1 6   -23 11 o 28.52959 6.245503  170.8158       87.86362 73.15944       
114.2150 312.3938       137.5215 21.40437 8.509919 35.65482 9.143661 -14.25045 
12.49101 
1 1 1 6   -23 12 o 44.35298 4.984576  427.1057       89.31127 372.4267       
109.7413 534.3553       153.6944 40.66018 6.428680 48.04578 7.619453 -7.385601 
9.969152 
1 1 1 6   -23 13 o 33.87859 6.000005  285.2683       81.80970 288.5253       
99.71400 278.5613       143.0921 34.89101 7.053826 32.86618 9.707923 2.024830 
12.00001 
1 1 1 6   -23 14 o 27.23127 6.508393  155.8879       84.69747 97.86448       
101.5897 288.1618       153.3857 21.65877 8.177567 32.80377 10.12739 -11.14500 
13.01679 
1 1 1 6   -23 15 o 63.43603 4.687488  904.0457       121.2213 799.5192       
151.2367 1091.865       202.7280 58.98304 6.107327 67.88902 7.112715 -8.905979 
9.374975 
1 1 1 6   -23 16 o 15.59657 5.221586  -98.77027      90.91419 -91.71929      
121.1309 -107.8660      137.5780 15.22493 7.180875 15.96822 7.582538 
-0.7432899     10.44317 
1 1 1 6   -23 17 o 28.67042 6.874657  247.9876       102.4384 288.3642       
129.0630 179.2459       168.4019 31.86674 9.158510 25.47410 10.25501 6.392641 
13.74931 
1 1 1 6   -23 18 o 39.17725 7.752643  394.0180       104.6747 755.3835       
265.4896 327.5045       113.9014 43.68711 13.29102 34.66740 7.985153 9.019714 
15.50529 
1 1 1 6   -22 0  o 156.2976 4.236115  4958.409       237.9407 4753.165       
270.8055 5653.398       498.3222 149.9925 4.300403 162.6028 7.299674 -12.61029 
8.472231 
1 1 1 6   -22 1  o 121.9770 3.748178  3236.417       180.3031 3410.689       
223.5115 2911.716       305.0902 127.0406 4.190620 116.9134 6.215630 10.12727 
7.496356 
1 1 1 6   -22 2  o 112.6301 3.787404  2731.972       169.3348 2814.603       
209.8431 2577.714       286.7133 115.3376 4.333558 109.9225 6.212728 5.415131 
7.574808 
1 1 1 6   -22 3  o 73.28532 3.286922  1149.306       98.96859 1194.861       
128.9467 1084.000       154.3898 75.15225 4.086857 71.41840 5.149079 3.733849 
6.573843 
1 1 1 6   -22 4  o 18.87294 5.632558  -10.15139      77.76812 -63.68538      
101.1516 67.23524       121.6160 15.36985 7.011102 22.37603 8.817442 -7.006182 
11.26512 
1 1 1 6   -22 5  o 87.32204 3.375868  1605.928       119.1687 1565.382       
148.7458 1678.590       199.1273 85.94006 4.122590 88.70402 5.346979 -2.763962 
6.751736 
1 1 1 6   -22 6  o 47.86360 4.252674  492.9180       83.47298 497.0054       
107.4681 486.7019       132.5300 48.23224 5.307174 47.49496 6.646417 0.7372742 
8.505348 
1 1 1 6   -22 7  o 82.06207 3.274364  1457.936       110.9250 1629.595       
150.2680 1252.397       164.4301 87.59087 4.086287 76.53326 5.117432 11.05760 
6.548729 
1 1 1 6   -22 8  o 31.30231 5.166448  197.3966       75.86465 56.43428       
99.82594 390.1152       116.7222 20.22755 7.982936 42.37708 6.560601 -22.14953 
10.33290 
1 1 1 6   -22 9  o 41.93256 4.757727  383.7047       81.37849 330.1244       
108.1413 453.6628       123.5686 38.25847 6.992507 45.60666 6.453582 -7.348183 
9.515454 
1 1 1 6   -22 10 o 82.69232 3.399534  1470.469       117.9453 1398.309       
164.5824 1546.652       169.1093 80.58411 4.864689 84.80054 4.749959 -4.216438 
6.799067 
1 1 1 6   -22 11 o 42.61428 5.697527  476.7717       93.36124 622.7721       
118.7495 240.4568       151.0777 53.53712 5.283211 31.69145 10.09628 21.84566 
11.39505 
1 1 1 6   -22 12 o 20.73962 5.970323  57.19231       80.75019 74.66932       
101.0775 26.35949       134.2542 20.86992 8.081440 20.60933 8.790298 0.2605858 
11.94065 
1 1 1 6   -22 13 o 21.82315 5.977501  57.02104       76.31032 5.572083       
92.52080 166.4910       134.9579 16.74794 7.224140 26.89836 9.525433 -10.15042 
11.95500 
1 1 1 6   -22 14 o 51.30991 4.613563  593.4383       92.55459 587.2821       
112.2683 606.4989       163.5242 51.60143 5.182226 51.01840 7.634422 0.5830269 
9.227126 
1 1 1 6   -22 15 o 78.32878 4.278980  1407.076       132.0476 1449.424       
163.1246 1326.580       224.9017 81.12608 4.789389 75.53149 7.092280 5.594589 
8.557960 
1 1 1 6   -22 16 o 62.72443 7.274610  931.9147       191.5691 0.000000       
0.000000 931.9147       191.5691 ?        ?        62.72443 7.274610 ? ? 
1 1 1 6   -22 17 o 41.46327 7.258013  528.4772       134.0209 322.5802       
233.5622 629.5504       163.6423 32.13828 12.32137 50.78825 7.674560 -18.64997 
14.51603 
1 1 1 6   -22 18 o 25.15849 6.960194  157.9128       90.73728 147.8288       
234.7503 159.6839       98.38384 25.61436 11.27672 24.70262 8.161665 0.9117470 
13.92039 
1 1 1 6   -22 19 o 34.77185 6.736704  355.9459       92.78511 382.8448       
194.9279 348.0659       105.5039 32.74364 11.46237 36.80005 7.081446 -4.056408 
13.47341 
1 1 1 6   -21 0  o 152.5586 4.755788  4963.119       289.5010 4996.841       
358.4476 4899.853       490.9635 153.6128 5.558011 151.5044 7.718717 2.108414 
9.511576 
1 1 1 6   -21 1  o 226.7080 7.120655  11186.04       631.7555 11322.01       
769.3498 10904.55       1106.974 230.0798 7.964646 223.3362 11.80590 6.743515 
14.24131 
1 1 1 6   -21 2  o 159.5272 4.916040  5328.461       287.9369 5228.332       
332.9398 5625.565       573.5087 157.1807 5.045305 161.8737 8.438881 -4.692932 
9.832081 
1 1 1 6   -21 3  o 129.9805 3.748639  3532.486       197.5352 3398.916       
246.8490 3770.316       329.3914 126.7622 4.638340 133.1988 5.890244 -6.436546 
7.497278 
1 1 1 6   -21 4  o 91.59125 3.540748  1784.297       135.2555 1833.715       
182.6620 1724.312       201.2459 93.05794 4.675368 90.12456 5.318695 2.933380 
7.081496 
1 1 1 6   -21 5  o 23.92215 5.966648  79.57193       79.86055 -1.425005      
104.0238 195.8326       124.6278 17.98752 7.706859 29.85678 9.110865 -11.86926 
11.93330 
1 1 1 6   -21 6  o 48.33177 4.582430  483.0037       91.28214 608.6200       
146.7142 403.6648       116.5983 53.26325 6.560932 43.40029 6.399127 9.862961 
9.164860 
1 1 1 6   -21 7  o 35.00429 6.264413  265.1927       88.69479 330.7520       
152.3877 231.6055       109.0736 37.99633 9.554931 32.01226 8.103997 5.984070 
12.52883 
1 1 1 6   -21 8  o 47.51933 5.402427  496.9587       103.6818 504.5891       
161.6847 491.6295       135.1213 47.33107 8.440023 47.70758 6.746175 
-0.3765030     10.80485 
1 1 1 6   -21 9  o 16.39503 5.339860  -102.1150      84.74396 -22.86938      
130.2725 -160.2500      111.5794 19.10945 8.406784 13.68061 6.586532 5.428839 
10.67972 
1 1 1 6   -21 10 o 21.56465 6.322351  39.52528       89.90524 55.07632       
152.6874 31.27220       111.2324 23.37249 9.634157 19.75680 8.189718 3.615690 
12.64470 
1 1 1 6   -21 11 o 62.45663 3.733493  839.6104       97.30598 825.1153       
130.1787 857.9634       146.4825 61.93163 5.006663 62.98164 5.539783 -1.050003 
7.466986 
1 1 1 6   -21 12 o 50.38355 4.303764  558.1401       90.54291 586.4941       
124.0495 525.8122       132.4577 51.88852 5.694358 48.87859 6.454752 3.009926 
8.607528 
1 1 1 6   -21 13 o 50.20769 4.415406  535.7335       86.14946 502.6521       
102.5958 614.8278       158.6390 48.10432 5.080031 52.31105 7.223333 -4.206722 
8.830812 
1 1 1 6   -21 14 o 48.71358 5.805133  556.2249       116.2719 551.9294       
167.0150 560.2648       161.9676 48.06794 8.585420 49.35922 7.815936 -1.291283 
11.61027 
1 1 1 6   -21 15 o 20.85793 6.656093  -50.81763      121.5558 51.67630       
194.7962 -116.1800      155.5591 24.13772 10.44784 17.57813 8.249664 6.559589 
13.31219 
1 1 1 6   -21 16 o 103.4977 6.823776  2676.820       292.4871 2664.987       
447.7981 2685.624       386.2677 101.8212 10.47527 105.1743 8.747822 -3.353119 
13.64755 
1 1 1 6   -21 17 o 21.65172 6.636583  28.04699       118.1847 -152.3948      
204.8013 118.1367       144.7110 19.29150 9.198702 24.01194 9.568742 -4.720448 
13.27317 
1 1 1 6   -21 18 o 28.61107 7.351941  172.2371       93.29498 351.1179       
219.2001 132.6645       103.0993 33.75203 12.12077 23.47011 8.324130 10.28192 
14.70388 
1 1 1 6   -21 19 o 21.31808 6.387435  82.98493       88.64539 -87.03349      
238.0953 110.3445       95.51191 21.02037 9.978481 21.61579 7.976666 
-0.5954170     12.77487 
1 1 1 6   -21 20 o 18.89854 5.745903  51.75531       79.75649 64.75108       
132.1477 44.30909       100.0292 19.97292 8.624673 17.82417 7.594515 2.148750 
11.49181 
1 1 1 6   -20 0  o 180.2875 5.044390  7038.472       334.6184 7177.881       
391.1466 6657.995       646.1879 184.2824 5.055647 176.2927 8.730630 7.989731 
10.08878 
1 1 1 6   -20 1  o 55.56520 3.574329  632.5333       80.38015 582.3732       
99.47056 726.9238       136.4519 52.52724 4.510566 58.60315 5.545998 -6.075905 
7.148657 
1 1 1 6   -20 2  o 113.5763 3.942688  2652.081       173.6950 2532.695       
206.8672 2937.398       319.8005 109.5370 4.498333 117.6155 6.476429 -8.078468 
7.885375 
1 1 1 6   -20 3  o 127.3449 3.734191  3405.470       196.5458 3290.516       
254.5100 3575.319       309.3665 124.7800 4.858262 129.9098 5.672215 -5.129753 
7.468381 
1 1 1 6   -20 4  o 30.75597 5.966073  179.6759       91.10692 367.2246       
136.2530 28.01160       122.5266 40.69984 8.261660 20.81209 8.609360 19.88775 
11.93215 
1 1 1 6   -20 5  o 21.68144 8.336718  68.81919       107.1683 0.000000       
0.000000 68.81919       107.1683 ?        ?        21.68144 8.336718 ? ? 
1 1 1 6   -20 6  o 35.19913 8.149131  277.0930       118.1460 0.000000       
0.000000 277.0930       118.1460 ?        ?        35.19913 8.149131 ? ? 
1 1 1 6   -20 7  o 53.98883 6.031199  621.9588       136.7057 0.000000       
0.000000 621.9588       136.7057 ?        ?        53.98883 6.031199 ? ? 
1 1 1 6   -20 8  o 141.3383 6.277472  4279.094       372.4977 0.000000       
0.000000 4279.094       372.4977 ?        ?        141.3383 6.277472 ? ? 
1 1 1 6   -20 9  o 85.45325 5.784210  1562.792       207.5160 0.000000       
0.000000 1562.792       207.5160 ?        ?        85.45325 5.784210 ? ? 
1 1 1 6   -20 10 o 83.98604 5.661508  1512.178       199.6265 0.000000       
0.000000 1512.178       199.6265 ?        ?        83.98604 5.661508 ? ? 
1 1 1 6   -20 11 o 117.1883 4.569637  2999.096       202.1258 2917.075       
376.5797 3032.288       239.5573 115.2330 7.783972 119.1435 4.789167 -3.910583 
9.139275 
1 1 1 6   -20 12 o 30.62018 6.829202  212.9274       95.77663 212.8594       
160.1777 212.9652       119.4906 30.84597 10.41401 30.39439 8.837444 0.4515820 
13.65840 
1 1 1 6   -20 13 o 26.20624 6.711701  120.2934       94.93673 220.4659       
155.5332 60.80756       119.8549 30.91034 10.26191 21.50214 8.653372 9.408195 
13.42340 
1 1 1 6   -20 14 o 37.62612 6.497023  334.5409       113.2907 149.8954       
159.2015 523.9753       161.2528 27.19440 10.24552 48.05785 7.992157 -20.86345 
12.99405 
1 1 1 6   -20 15 o 79.93755 4.971525  1437.546       166.5625 1471.780       
243.7804 1407.573       228.1096 80.70007 7.195251 79.17504 6.862406 1.525024 
9.943050 
1 1 1 6   -20 16 o 78.00990 5.854596  1420.399       184.1029 1450.824       
305.4111 1403.033       230.7373 77.49292 9.387367 78.52687 6.998751 -1.033951 
11.70919 
1 1 1 6   -20 17 o 74.00049 6.549635  1316.860       183.5887 1403.423       
341.9988 1281.817       217.5988 73.32568 11.10937 74.67530 6.940657 -1.349625 
13.09927 
1 1 1 6   -20 18 o 29.98273 7.448305  242.5752       117.6982 159.1059       
213.9214 278.8116       140.9496 27.39736 11.35722 32.56810 9.639638 -5.170734 
14.89661 
1 1 1 6   -20 19 o 64.65562 6.317026  1022.422       119.6787 1096.269       
294.3091 1007.792       130.9987 61.86031 11.75670 67.45093 4.625942 -5.590614 
12.63405 
1 1 1 6   -20 20 o 29.40851 6.110895  219.7614       76.72777 272.6904       
134.4344 194.1899       93.44198 31.33624 9.442714 27.48078 7.759336 3.855461 
12.22179 
1 1 1 6   -20 21 o 25.54226 6.327339  185.5015       82.58698 161.7599       
149.2339 195.9824       99.15456 24.30949 9.707774 26.77504 8.117880 -2.465546 
12.65468 
1 1 1 6   -19 0  o 152.9518 4.126816  4955.989       264.9348 4925.461       
370.0568 4988.090       379.4692 152.4821 5.780571 153.4215 5.891303 
-0.9394379     8.253633 
1 1 1 6   -19 1  o 155.8197 4.813559  5151.170       310.9214 5095.789       
407.6423 5228.203       480.7697 154.9704 6.265441 156.6691 7.309285 -1.698715 
9.627117 
1 1 1 6   -19 2  o 182.4183 9.896712  7170.773       757.9460 0.000000       
0.000000 7170.773       757.9460 ?        ?        182.4183 9.896712 ? ? 
1 1 1 6   -19 3  o 56.32870 5.743591  671.9699       135.8289 0.000000       
0.000000 671.9699       135.8289 ?        ?        56.32870 5.743591 ? ? 
1 1 1 6   -19 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -19 5  o 117.7661 6.472384  2945.749       320.0099 2945.749       
320.0099 0.000000       0.000000 117.7661 6.472384 ?        ?        ? ? 
1 1 1 6   -19 6  o 40.44705 8.734603  364.5017       144.1089 364.5017       
144.1089 0.000000       0.000000 40.44705 8.734603 ?        ?        ? ? 
1 1 1 6   -19 7  o 68.88194 6.933991  1012.535       200.5246 1012.535       
200.5246 0.000000       0.000000 68.88194 6.933991 ?        ?        ? ? 
1 1 1 6   -19 8  o 80.81346 6.582874  1394.801       223.3460 1394.801       
223.3460 0.000000       0.000000 80.81346 6.582874 ?        ?        ? ? 
1 1 1 6   -19 9  o 89.42966 7.058085  1718.115       265.0009 1718.115       
265.0009 0.000000       0.000000 89.42966 7.058085 ?        ?        ? ? 
1 1 1 6   -19 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -19 11 o 114.4760 5.831221  2808.490       280.2547 0.000000       
0.000000 2808.490       280.2547 ?        ?        114.4760 5.831221 ? ? 
1 1 1 6   -19 12 o 84.85944 6.004470  1550.412       213.9212 0.000000       
0.000000 1550.412       213.9212 ?        ?        84.85944 6.004470 ? ? 
1 1 1 6   -19 13 o 62.23133 4.407371  833.7036       113.0300 869.8195       
179.2114 809.8469       145.6534 63.17021 6.757319 61.29245 5.660238 1.877758 
8.814741 
1 1 1 6   -19 14 o 77.99486 4.619447  1325.220       149.5821 1077.246       
204.3574 1611.409       219.5398 69.95596 6.958035 86.03375 6.078067 -16.07779 
9.238894 
1 1 1 6   -19 15 o 22.81316 6.457401  63.25388       93.18229 130.9887       
148.7058 19.46263       119.5682 26.04534 9.876139 19.58098 8.321898 6.464361 
12.91480 
1 1 1 6   -19 16 o 40.89190 7.470232  409.2080       120.7351 444.6222       
225.3076 394.9421       142.9999 41.12331 12.19077 40.66048 8.637273 0.4628334 
14.94046 
1 1 1 6   -19 17 o 39.09941 7.452292  368.1562       117.7330 474.4932       
213.3053 321.5687       141.1869 42.19950 11.65990 35.99931 9.284041 6.200195 
14.90458 
1 1 1 6   -19 18 o 55.24640 6.667151  723.7308       134.7585 830.8871       
258.5097 683.7463       157.9115 55.84077 11.42098 54.65203 6.882220 1.188736 
13.33430 
1 1 1 6   -19 19 o 22.06005 6.699096  53.97020       84.43242 99.26651       
218.3422 46.00587       91.55479 25.76546 11.10559 18.35463 7.495155 7.410839 
13.39819 
1 1 1 6   -19 20 o 36.17112 5.732517  302.1731       82.10955 443.7566       
142.2464 231.4240       100.5532 41.97127 8.369049 30.37097 7.836199 11.60030 
11.46503 
1 1 1 6   -19 21 f 55.70679 4.124962  703.7058       90.82996 757.4894       
159.0868 677.6942       110.6350 56.42971 6.715020 54.98387 4.792679 1.445843 
8.249925 
1 1 1 6   -19 22 o 16.04474 5.427226  -78.16750      84.18958 -31.84605      
173.7312 -92.38381      96.24550 19.04402 8.881017 13.04546 6.240727 5.998553 
10.85445 
1 1 1 6   -19 23 o 25.17529 6.866588  181.3481       94.07075 224.7241       
190.4583 167.3519       108.1884 26.09804 10.75921 24.25254 8.534605 1.845503 
13.73318 
1 1 1 6   -18 0  o 51.25637 5.867579  556.1279       126.2658 0.000000       
0.000000 556.1279       126.2658 ?        ?        51.25637 5.867579 ? ? 
1 1 1 6   -18 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -18 2  o 136.9415 7.148198  3990.501       410.9704 3990.501       
410.9704 0.000000       0.000000 136.9415 7.148198 ?        ?        ? ? 
1 1 1 6   -18 3  o 56.33099 4.285792  669.4679       101.3579 669.4679       
101.3579 0.000000       0.000000 56.33099 4.285792 ?        ?        ? ? 
1 1 1 6   -18 4  o 109.7134 4.237016  2539.182       195.1636 2539.182       
195.1636 0.000000       0.000000 109.7134 4.237016 ?        ?        ? ? 
1 1 1 6   -18 5  o 136.0576 3.799681  3925.626       216.2751 4049.943       
296.6172 3784.511       316.0226 138.4144 5.104301 133.7008 5.629958 4.713547 
7.599363 
1 1 1 6   -18 6  o 126.7736 3.680664  3399.253       195.4857 3387.428       
285.6084 3409.677       268.1354 126.5351 5.376268 127.0120 5.028407 
-0.4768829     7.361327 
1 1 1 6   -18 7  o 49.74563 4.060617  536.5908       82.43444 662.4821       
114.6802 401.9979       118.5772 55.98914 4.878718 43.50213 6.492499 12.48701 
8.121234 
1 1 1 6   -18 8  o 20.62631 8.132456  53.06532       103.5077 53.06532       
103.5077 0.000000       0.000000 20.62631 8.132456 ?        ?        ? ? 
1 1 1 6   -18 9  o 40.05988 6.489981  341.9923       109.1521 341.9923       
109.1521 0.000000       0.000000 40.05988 6.489981 ?        ?        ? ? 
1 1 1 6   -18 10 o 194.8714 12.42709  8495.954       1016.708 8495.954       
1016.708 0.000000       0.000000 194.8714 12.42709 ?        ?        ? ? 
1 1 1 6   -18 11 o 111.1191 6.313071  2643.837       294.5155 2643.837       
294.5155 0.000000       0.000000 111.1191 6.313071 ?        ?        ? ? 
1 1 1 6   -18 12 o 58.84429 5.248634  738.4008       129.6670 0.000000       
0.000000 738.4008       129.6670 ?        ?        58.84429 5.248634 ? ? 
1 1 1 6   -18 13 o 76.34070 5.721753  1250.097       183.3851 0.000000       
0.000000 1250.097       183.3851 ?        ?        76.34070 5.721753 ? ? 
1 1 1 6   -18 14 o 21.49889 6.267919  34.72050       94.99625 -69.05878      
156.7776 94.92873       119.4143 19.56697 8.868054 23.43081 8.860295 -3.863840 
12.53584 
1 1 1 6   -18 15 o 85.29697 4.150022  1574.731       148.4973 1645.078       
215.1640 1510.747       205.2038 87.10648 5.883561 83.48747 5.854436 3.619003 
8.300043 
1 1 1 6   -18 16 o 37.64083 6.166378  335.5693       95.65962 310.4521       
138.2868 358.6169       132.4671 36.10451 9.115944 39.17716 8.306411 -3.072647 
12.33276 
1 1 1 6   -18 17 o 30.47231 6.512898  219.3417       101.7303 67.18853       
153.2726 339.1461       136.0067 23.31649 9.636271 37.62813 8.764341 -14.31164 
13.02580 
1 1 1 6   -18 18 o 28.73838 7.624194  174.5521       113.5811 222.0803       
222.2858 157.7584       132.1326 31.03875 11.99159 26.43802 9.418866 4.600727 
15.24839 
1 1 1 6   -18 19 o 63.38787 6.217870  1039.261       120.7357 834.2898       
262.3717 1094.325       135.9895 55.94002 11.56451 70.83573 4.572716 -14.89571 
12.43574 
1 1 1 6   -18 20 f 62.37333 4.268658  858.3049       103.2535 941.9729       
188.4678 822.4218       123.4245 63.66114 7.051537 61.08552 4.812650 2.575626 
8.537316 
1 1 1 6   -18 21 o 20.50043 5.874962  68.40704       81.27082 -1.566255      
133.9691 109.1527       102.2303 18.83377 8.378386 22.16709 8.237922 -3.333313 
11.74992 
1 1 1 6   -18 22 o 47.53828 5.582611  536.9283       100.4975 641.3757       
184.3585 492.7690       119.8741 49.13832 9.275259 45.93824 6.215445 3.200085 
11.16522 
1 1 1 6   -18 23 o 18.69677 5.828697  26.14035       91.81635 -128.0417      
177.8710 82.14693       107.2032 17.37297 8.352430 20.02056 8.132142 -2.647594 
11.65739 
1 1 1 6   -18 24 o 31.24611 7.112526  314.8424       102.5718 313.0551       
205.4965 315.4355       118.3720 29.05938 11.45833 33.43285 8.429637 -4.373465 
14.22505 
1 1 1 6   -17 0  o 192.4258 9.070857  7899.267       732.8087 7899.267       
732.8087 0.000000       0.000000 192.4258 9.070857 ?        ?        ? ? 
1 1 1 6   -17 1  o 112.8264 4.637610  2684.410       219.6767 2684.410       
219.6767 0.000000       0.000000 112.8264 4.637610 ?        ?        ? ? 
1 1 1 6   -17 2  o 79.60067 3.325098  1365.134       107.8312 1477.618       
140.3194 1202.901       168.5164 83.74638 3.990917 75.45496 5.319557 8.291412 
6.650196 
1 1 1 6   -17 3  o 115.6543 3.359473  2825.426       162.8857 3010.599       
230.9862 2642.263       229.7291 119.4454 4.606144 111.8631 4.891592 7.582329 
6.718946 
1 1 1 6   -17 4  o 110.2266 4.113460  2584.720       181.9712 2613.466       
227.0264 2533.066       304.3309 111.2342 4.861373 109.2189 6.636961 2.015350 
8.226919 
1 1 1 6   -17 5  o 68.49731 3.171343  989.9733       88.50768 988.8438       
112.3469 991.8215       143.6995 68.49105 3.907045 68.50359 4.996466 
-0.1253510E-01 6.342687 
1 1 1 6   -17 6  o 78.93384 3.414481  1288.859       110.0013 1206.851       
138.2208 1430.525       181.6670 75.62740 4.353268 82.24027 5.261538 -6.612877 
6.828962 
1 1 1 6   -17 7  o 95.99182 3.888998  1976.444       149.9926 2047.118       
188.6673 1855.047       247.2697 98.47645 4.563365 93.50719 6.298643 4.969254 
7.777995 
1 1 1 6   -17 8  o 40.50498 5.559877  364.1375       89.93191 325.5981       
143.7525 388.9205       115.2763 38.20661 9.082906 42.80334 6.414806 -4.596733 
11.11975 
1 1 1 6   -17 9  o 191.6456 6.653232  7975.437       510.2259 7670.949       
852.8529 8145.164       636.7446 188.0085 10.80482 195.2827 7.766450 -7.274216 
13.30646 
1 1 1 6   -17 10 o 111.8896 7.079664  2671.099       332.5687 2671.099       
332.5687 0.000000       0.000000 111.8896 7.079664 ?        ?        ? ? 
1 1 1 6   -17 11 o 87.81462 6.515317  1645.559       240.2046 1645.559       
240.2046 0.000000       0.000000 87.81462 6.515317 ?        ?        ? ? 
1 1 1 6   -17 12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -17 13 o 88.41815 6.119058  1674.764       227.1459 0.000000       
0.000000 1674.764       227.1459 ?        ?        88.41815 6.119058 ? ? 
1 1 1 6   -17 14 o 65.80793 4.578053  969.1575       120.6764 781.1086       
189.6683 1097.058       156.4213 59.93334 7.537848 71.68253 5.197609 -11.74919 
9.156107 
1 1 1 6   -17 15 o 77.87381 4.368807  1248.671       136.0042 1509.985       
239.3449 1124.059       165.2811 83.36768 6.838291 72.37994 5.439087 10.98774 
8.737614 
1 1 1 6   -17 16 o 86.21128 4.151870  1567.660       143.4662 1476.120       
176.0652 1748.542       247.4939 82.89956 5.058740 89.52300 6.584927 -6.623444 
8.303741 
1 1 1 6   -17 17 o 75.00044 4.418650  1233.290       137.6720 1218.629       
209.4473 1244.443       182.6812 74.37196 6.707898 75.62893 5.753431 -1.256966 
8.837299 
1 1 1 6   -17 18 o 18.38645 5.938853  -78.99957      103.3134 -20.73092      
152.1913 -128.8004      140.6988 20.23712 8.973698 16.53578 7.781558 3.701338 
11.87771 
1 1 1 6   -17 19 o 25.72448 7.139400  50.08780       86.74461 308.2017       
224.5523 4.813869       94.04504 34.57119 12.28248 16.87778 7.281815 17.69341 
14.27880 
1 1 1 6   -17 20 o 17.88171 5.825774  -65.17916      82.06803 25.93288       
175.1739 -90.80067      92.89321 22.43985 9.810848 13.32358 6.285367 9.116270 
11.65155 
1 1 1 6   -17 21 o 29.90627 6.376221  207.1248       85.46843 318.1493       
143.5993 146.2188       106.3586 35.01889 9.519059 24.79365 8.486005 10.22525 
12.75244 
1 1 1 6   -17 22 o 34.23005 6.182518  327.6808       88.83971 210.2088       
175.5815 368.1034       102.9967 28.39750 10.74225 40.06260 6.123581 -11.66510 
12.36504 
1 1 1 6   -17 23 o 31.17937 6.644937  273.8141       94.46044 225.3082       
164.8256 297.5363       115.2673 28.40842 10.47958 33.95033 8.173079 -5.541904 
13.28987 
1 1 1 6   -17 24 o 57.06498 6.013278  905.7609       114.1240 739.2088       
220.7696 966.4980       133.3188 49.06633 10.99171 65.06363 4.880613 -15.99730 
12.02656 
1 1 1 6   -17 25 o 18.11356 5.971722  -49.41499      96.12262 112.9508       
185.0573 -109.4066      112.4875 22.52743 9.954180 13.69969 6.600013 8.827737 
11.94344 
1 1 1 6   -16 0  o 86.84488 4.072485  1587.315       148.4850 1587.315       
148.4850 0.000000       0.000000 86.84488 4.072485 ?        ?        ? ? 
1 1 1 6   -16 1  o 181.9552 4.456439  7014.025       336.0485 7109.401       
442.9475 6884.684       515.8220 183.5183 5.749021 180.3921 6.810884 3.126221 
8.912877 
1 1 1 6   -16 2  o 39.36866 4.027683  323.9449       62.40216 317.8649       
75.68200 336.8561       110.2869 38.83662 4.641648 39.90069 6.583618 -1.064068 
8.055366 
1 1 1 6   -16 3  o 120.0633 3.783516  3113.595       159.3358 3174.152       
182.0079 2914.936       329.6566 122.8137 3.529917 117.3128 6.693254 5.500885 
7.567031 
1 1 1 6   -16 4  o 26.38739 4.597990  161.0653       55.27959 225.8238       
70.99873 61.37122       88.09205 32.70245 5.171201 20.07234 7.604257 12.63010 
9.195979 
1 1 1 6   -16 5  o 123.2120 2.981581  3203.816       145.3389 3210.338       
178.0473 3190.792       251.6092 123.4893 3.434212 122.9346 4.874986 0.5546951 
5.963162 
1 1 1 6   -16 6  o 119.7427 3.351873  3057.728       158.3454 3118.450       
194.3796 2937.942       273.0112 121.6523 3.805847 117.8330 5.518672 3.819305 
6.703747 
1 1 1 6   -16 7  o 36.12481 5.484794  300.5555       81.65497 194.9696       
125.5521 377.9535       107.4945 30.03003 9.140787 42.21959 6.064476 -12.18956 
10.96959 
1 1 1 6   -16 8  o 46.14201 4.607492  452.8985       89.04801 466.8526       
123.0423 437.5516       129.0373 46.91091 6.247436 45.37312 6.773882 1.537792 
9.214984 
1 1 1 6   -16 9  o 151.7893 4.831366  4910.518       307.0280 4621.600       
441.6052 5180.846       427.1614 147.3698 7.137507 156.2088 6.513398 -8.838959 
9.662731 
1 1 1 6   -16 10 o 60.63722 4.502065  767.5971       109.4420 823.9228       
187.4721 738.4778       134.7951 62.20478 7.178504 59.06966 5.435389 3.135128 
9.004130 
1 1 1 6   -16 11 o 111.2593 4.169030  2564.723       186.3656 2835.431       
319.6116 2425.264       229.4012 115.4569 6.593616 107.0617 5.103672 8.395248 
8.338059 
1 1 1 6   -16 12 o 117.3316 8.448121  2964.650       416.1541 2964.650       
416.1541 0.000000       0.000000 117.3316 8.448121 ?        ?        ? ? 
1 1 1 6   -16 13 o 150.9409 8.630893  4938.441       546.9424 0.000000       
0.000000 4938.441       546.9424 ?        ?        150.9409 8.630893 ? ? 
1 1 1 6   -16 14 o 94.87279 6.985806  1937.720       278.2513 0.000000       
0.000000 1937.720       278.2513 ?        ?        94.87279 6.985806 ? ? 
1 1 1 6   -16 15 o 26.41593 6.901707  86.78500       108.3160 237.4403       
166.6821 -23.33824      142.5070 32.74597 10.62236 20.08589 8.814742 12.66008 
13.80341 
1 1 1 6   -16 16 o 28.63524 6.581897  164.2049       94.56129 83.67997       
126.4021 266.5465       142.5001 23.27199 9.031987 33.99848 9.576466 -10.72649 
13.16379 
1 1 1 6   -16 17 o 26.68261 6.754869  123.1999       98.31185 229.7361       
154.2028 50.24055       127.6098 31.70970 10.21010 21.65551 8.846860 10.05420 
13.50974 
1 1 1 6   -16 18 o 44.05749 5.980546  457.1024       106.9717 262.3551       
149.3394 662.3162       153.2999 33.23040 9.940138 54.88458 6.652924 -21.65418 
11.96109 
1 1 1 6   -16 19 o 39.78788 6.197078  410.6673       88.65745 288.9051       
185.2934 446.8193       100.9647 34.25616 11.20074 45.31960 5.306456 -11.06345 
12.39416 
1 1 1 6   -16 20 o 21.87403 5.960154  83.63373       81.73255 -49.59168      
153.7506 136.1115       96.49643 19.30126 8.761215 24.44680 8.082998 -5.145535 
11.92031 
1 1 1 6   -16 21 o 30.07935 5.800298  238.9348       81.23003 104.3218       
138.5327 309.4676       100.2777 23.73058 9.391851 36.42811 6.809327 -12.69753 
11.60060 
1 1 1 6   -16 22 o 75.88484 3.964617  1277.708       120.9918 1331.003       
203.5772 1248.602       150.4457 76.43240 6.344139 75.33727 4.756538 1.095131 
7.929234 
1 1 1 6   -16 23 o 18.23119 5.876693  -22.88709      92.40446 -66.90451      
174.4182 -5.711924      108.9507 19.33055 8.969678 17.13184 7.595194 2.198713 
11.75339 
1 1 1 6   -16 24 o 60.56637 5.396702  881.0925       129.1388 957.7205       
225.6443 843.7686       157.4794 61.03469 8.805796 60.09804 6.241437 0.9366493 
10.79340 
1 1 1 6   -16 25 o 19.14576 6.093396  18.18239       102.7716 -75.99967      
184.6630 60.44313       123.6985 18.61810 8.814287 19.67341 8.415832 -1.055305 
12.18679 
1 1 1 6   -16 26 o 25.58284 6.859972  201.8545       99.18910 160.4135       
203.5768 214.7548       113.5832 24.08736 10.55338 27.07833 8.767158 -2.990973 
13.71994 
1 1 1 6   -15 0  o 263.5959 5.705089  13521.87       240.5458 13430.65       
244.8605 16041.99       1287.024 252.8606 2.306528 274.3312 11.17462 -21.47058 
11.41018 
1 1 1 6   -15 1  o 182.5943 4.925331  7021.397       377.5735 0.000000       
0.000000 7021.397       377.5735 ?        ?        182.5943 4.925331 ? ? 
1 1 1 6   -15 2  o 164.6562 3.540057  5820.060       203.0694 5909.156       
231.0400 5517.475       425.7756 167.6486 3.282527 161.6638 6.273200 5.984863 
7.080114 
1 1 1 6   -15 3  o 225.6979 4.630226  10873.42       388.2933 11000.85       
455.1660 10532.80       744.1721 228.5140 4.744365 222.8818 7.952796 5.632172 
9.260451 
1 1 1 6   -15 4  o 132.3363 2.847570  3708.443       156.2789 3839.797       
207.6645 3536.902       237.3149 135.0872 3.661584 129.5854 4.362045 5.501846 
5.695141 
1 1 1 6   -15 5  o 77.43843 2.599141  1272.459       81.73547 1304.540       
103.9407 1220.477       132.3094 78.75551 3.143589 76.12135 4.140046 2.634163 
5.198281 
1 1 1 6   -15 6  o 62.45352 3.239428  800.2820       83.77336 994.7657       
131.2921 666.7274       108.7994 68.68183 4.553212 56.22522 4.609104 12.45662 
6.478857 
1 1 1 6   -15 7  o 129.0212 4.421614  3488.120       232.2946 3689.791       
382.4195 3370.197       292.4261 131.8069 6.910716 126.2355 5.517669 5.571342 
8.843227 
1 1 1 6   -15 8  o 79.61671 3.424857  1315.535       112.6393 1466.856       
179.3714 1217.010       144.7360 83.30058 5.128922 75.93285 4.540127 7.367729 
6.849715 
1 1 1 6   -15 9  o 61.76081 3.771492  769.7208       91.18903 910.1481       
167.1637 710.2292       108.8037 65.51404 6.077550 58.00758 4.467659 7.506462 
7.542983 
1 1 1 6   -15 10 o 144.7142 5.366292  4465.833       325.9213 4542.561       
457.6823 4386.894       464.2322 146.0112 7.466189 143.4171 7.710017 2.594070 
10.73258 
1 1 1 6   -15 11 o 91.03636 4.519551  1759.794       171.8895 1752.098       
255.7306 1766.136       232.1532 90.80380 6.708102 91.26891 6.058609 
-0.4651108     9.039103 
1 1 1 6   -15 12 f 115.9896 7.642665  2872.342       372.1714 2872.342       
372.1714 0.000000       0.000000 115.9896 7.642665 ?        ?        ? ? 
1 1 1 6   -15 13 o 179.8659 11.62183  7103.308       877.6115 7103.308       
877.6115 0.000000       0.000000 179.8659 11.62183 ?        ?        ? ? 
1 1 1 6   -15 14 o 75.85408 6.027463  1226.065       191.9519 0.000000       
0.000000 1226.065       191.9519 ?        ?        75.85408 6.027463 ? ? 
1 1 1 6   -15 15 o 179.2329 7.875827  7157.489       592.2361 6955.615       
819.1941 7378.526       857.1943 176.6771 11.04403 181.7888 11.23138 -5.111740 
15.75165 
1 1 1 6   -15 16 o 154.1974 5.343982  5145.054       345.3248 4741.898       
475.6212 5594.503       502.1870 147.7535 7.667336 160.6413 7.446107 -12.88785 
10.68796 
1 1 1 6   -15 17 o 45.03271 6.073926  451.5149       111.3692 619.5416       
165.6486 312.9139       150.4464 53.31173 7.400926 36.75370 9.633100 16.55803 
12.14785 
1 1 1 6   -15 18 o 48.54005 5.755914  537.8351       109.6374 785.1614       
160.2747 320.3170       150.3064 60.13180 6.348657 36.94830 9.602956 23.18350 
11.51183 
1 1 1 6   -15 19 o 20.09089 6.010702  27.13341       79.76208 24.57347       
152.5908 28.09584       93.56198 21.99903 9.376849 18.18275 7.522557 3.816278 
12.02140 
1 1 1 6   -15 20 o 50.71067 5.295724  583.1673       100.6423 587.5316       
181.3453 581.2248       120.9837 49.82116 8.999465 51.60018 5.584659 -1.779026 
10.59145 
1 1 1 6   -15 21 o 76.66612 4.202687  1183.305       115.3309 1540.639       
248.4576 1085.164       130.2090 82.46857 7.176042 70.86369 4.376613 11.60488 
8.405375 
1 1 1 6   -15 22 o 106.3918 4.669791  2579.686       181.1760 2521.456       
353.3588 2600.454       211.0249 103.5627 8.127061 109.2208 4.602030 -5.658081 
9.339582 
1 1 1 6   -15 23 o 73.11618 4.673585  1321.101       123.0491 1000.401       
224.8673 1458.175       147.0125 64.46587 8.308403 81.76649 4.282527 -17.30062 
9.347171 
1 1 1 6   -15 24 o 33.05266 7.181712  253.5142       96.96323 423.7201       
199.2147 200.6737       110.9986 38.10399 11.49739 28.00133 8.609183 10.10266 
14.36342 
1 1 1 6   -15 25 o 28.16147 6.993455  222.0391       102.3974 174.8047       
184.5262 243.0562       123.0880 26.32293 10.67760 30.00002 9.034513 -3.677094 
13.98691 
1 1 1 6   -15 26 o 32.38414 6.993779  313.7171       96.24226 325.4416       
210.2799 310.6103       108.2452 30.40061 11.68071 34.36768 7.694984 -3.967062 
13.98756 
1 1 1 6   -14 0  o 95.18289 2.287163  1928.977       89.57485 2051.749       
117.8968 1761.334       137.7676 98.82413 2.841582 91.54165 3.584672 7.282486 
4.574326 
1 1 1 6   -14 1  o 168.2990 3.295202  5785.563       186.8838 5672.433       
208.2258 6254.129       423.7700 164.3047 3.018600 172.2932 5.858455 -7.988495 
6.590405 
1 1 1 6   -14 2  o 306.0134 4.644286  19046.90       436.1814 18729.49       
473.8055 20810.73       1116.906 298.4576 3.781277 313.5692 8.484074 -15.11163 
9.288571 
1 1 1 6   -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -14 4  o 39.82370 3.883355  356.3822       59.40763 409.5927       
76.40697 275.0425       94.46828 44.12005 4.124944 35.52736 6.580776 8.592697 
7.766709 
1 1 1 6   -14 5  o 88.70185 2.536608  1629.526       93.16634 1511.961       
120.4703 1804.469       146.9563 84.79230 3.384112 92.61140 3.779592 -7.819107 
5.073217 
1 1 1 6   -14 6  o 142.9316 4.509084  4333.217       268.2404 4208.710       
403.6204 4431.710       358.9885 141.0133 6.817639 144.8498 5.903148 -3.836487 
9.018168 
1 1 1 6   -14 7  o 138.1407 4.121253  4033.470       238.9377 4170.098       
339.1115 3898.765       336.7191 140.4766 5.749891 135.8048 5.905731 4.671753 
8.242506 
1 1 1 6   -14 8  o 148.9951 5.178311  4702.982       318.6804 4797.929       
499.5415 4637.824       413.8270 150.1037 7.926859 147.8865 6.665172 2.217209 
10.35662 
1 1 1 6   -14 9  o 76.28903 3.200642  1229.441       98.68349 1223.241       
163.1449 1233.018       123.9253 76.08282 5.107495 76.49523 3.858749 
-0.4124069     6.401285 
1 1 1 6   -14 10 o 89.79814 3.683130  1718.677       137.0266 1612.330       
207.6654 1800.686       182.3609 87.25745 5.668689 92.33883 4.704013 -5.081375 
7.366259 
1 1 1 6   -14 11 o 102.1589 4.169867  2212.500       178.7597 2162.160       
254.7218 2261.352       250.9296 100.9953 6.007395 103.3224 5.784667 -2.327179 
8.339734 
1 1 1 6   -14 12 o 153.2936 5.196707  4959.164       324.1780 4823.893       
408.3497 5189.722       533.1147 150.7453 6.452224 155.8419 8.148120 -5.096588 
10.39341 
1 1 1 6   -14 13 o 43.63885 9.151268  424.0121       162.2954 424.0121       
162.2954 0.000000       0.000000 43.63885 9.151268 ?        ?        ? ? 
1 1 1 6   -14 14 o 135.9821 6.898733  3941.658       393.8491 0.000000       
0.000000 3941.658       393.8491 ?        ?        135.9821 6.898733 ? ? 
1 1 1 6   -14 15 o 101.2232 4.011584  2176.188       169.4573 2199.309       
254.4987 2157.774       227.1279 101.6381 5.964170 100.8082 5.366554 0.8298721 
8.023169 
1 1 1 6   -14 16 o 128.4449 4.581089  3580.359       235.2303 3695.639       
294.0581 3375.495       392.0025 131.7765 5.315160 125.1133 7.462880 6.663208 
9.162178 
1 1 1 6   -14 17 o 89.51742 4.653030  1731.109       173.7216 1655.864       
257.4048 1794.052       235.4232 87.57941 7.000606 91.45542 6.131417 -3.876007 
9.306061 
1 1 1 6   -14 18 o 135.2928 5.587674  4020.539       316.2506 4282.074       
440.2781 3741.766       454.5554 140.1414 7.483101 130.4442 8.300097 9.697281 
11.17535 
1 1 1 6   -14 19 o 53.01851 4.600415  597.6116       92.79736 643.9319       
175.0456 579.5050       109.4418 54.04416 7.714778 51.99285 5.013730 2.051315 
9.200830 
1 1 1 6   -14 20 o 61.12232 4.372615  772.8693       94.74843 898.8077       
202.3945 737.5234       107.2232 63.54934 7.585928 58.69530 4.351176 4.854042 
8.745230 
1 1 1 6   -14 21 f 30.20933 6.520407  212.2390       86.19901 223.9961       
153.6107 206.8351       104.1413 30.77116 10.19830 29.64750 8.127583 1.123663 
13.04081 
1 1 1 6   -14 22 o 126.3709 5.354942  3460.173       255.5125 4105.845       
495.8952 3226.796       298.1347 131.9366 8.952528 120.8051 5.878254 11.13151 
10.70988 
1 1 1 6   -14 23 o 20.73452 6.222087  13.17569       88.76153 122.4200       
159.4954 -35.83826      106.8338 25.24603 10.05032 16.22300 7.338160 9.023035 
12.44417 
1 1 1 6   -14 24 o 24.56446 6.393282  139.0422       91.26811 17.70820       
169.9550 188.2130       108.1922 21.61084 9.545527 27.51808 8.507593 -5.907244 
12.78656 
1 1 1 6   -14 25 o 59.66296 5.354613  773.3989       112.7295 1021.330       
245.8439 707.3898       126.8515 63.28370 9.253128 56.04221 5.391397 7.241489 
10.70923 
1 1 1 6   -14 26 o 47.21310 6.410741  663.0554       109.2772 415.6434       
201.1402 766.6633       130.1622 36.41939 11.65436 58.00681 5.344744 -21.58743 
12.82148 
1 1 1 6   -14 27 o 25.26389 6.678643  186.4897       96.05537 127.5216       
180.6222 209.7431       113.4242 23.36246 10.08571 27.16532 8.757602 -3.802866 
13.35729 
1 1 1 6   -13 0  o 110.0243 2.087815  2480.574       86.76441 2404.219       
101.6427 2685.632       166.5684 106.9967 2.262699 113.0518 3.509428 -6.055069 
4.175630 
1 1 1 6   -13 1  o 41.97707 2.800234  361.8334       47.85320 337.7087       
59.84623 404.6036       79.68499 40.08733 3.555909 43.86679 4.326749 -3.779461 
5.600469 
1 1 1 6   -13 2  o 206.1352 2.790292  8919.193       241.2773 9423.449       
348.5231 8455.107       334.3531 211.7236 3.920880 200.5468 3.971098 11.17673 
5.580584 
1 1 1 6   -13 3  o 107.1169 2.254512  2398.286       100.7011 2516.479       
152.9925 2307.938       133.7625 109.4281 3.330139 104.8057 3.039978 4.622437 
4.509024 
1 1 1 6   -13 4  o 117.0350 5.077306  2883.521       249.4755 0.000000       
0.000000 2883.521       249.4755 ?        ?        117.0350 5.077306 ? ? 
1 1 1 6   -13 5  o 97.67589 4.985330  2008.930       204.4373 2008.930       
204.4373 0.000000       0.000000 97.67589 4.985330 ?        ?        ? ? 
1 1 1 6   -13 6  o 70.41616 3.401110  1056.975       98.42341 975.8366       
152.4728 1114.937       128.8690 68.04473 5.337267 72.78759 4.217082 -4.742859 
6.802220 
1 1 1 6   -13 7  o 139.0502 5.932216  4081.802       346.3119 0.000000       
0.000000 4081.802       346.3119 ?        ?        139.0502 5.932216 ? ? 
1 1 1 6   -13 8  o 218.3380 6.077914  10179.83       553.4182 10491.71       
747.9508 9802.511       822.6783 222.2390 8.016296 214.4370 9.138005 7.802032 
12.15583 
1 1 1 6   -13 9  f 197.6017 6.664258  8229.467       532.5998 8810.789       
893.3001 7908.852       663.4078 202.4863 10.50807 192.7172 8.199381 9.769012 
13.32852 
1 1 1 6   -13 10 o 21.95808 7.756472  89.78888       89.43610 0.000000       
0.000000 89.78888       89.43610 ?        ?        21.95808 7.756472 ? ? 
1 1 1 6   -13 11 o 99.21774 4.527510  2079.414       187.5121 2002.839       
250.2133 2177.513       283.2049 97.18866 6.132195 101.2468 6.662549 -4.058159 
9.055019 
1 1 1 6   -13 12 o 112.2662 5.442191  2689.063       256.4511 2671.402       
365.8288 2706.129       359.6046 111.8821 7.788221 112.6502 7.603512 
-0.7680893     10.88438 
1 1 1 6   -13 13 o 199.2982 12.24431  8674.678       1024.511 8674.678       
1024.511 0.000000       0.000000 199.2982 12.24431 ?        ?        ? ? 
1 1 1 6   -13 14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -13 15 o 124.0356 7.966726  3294.093       414.8635 0.000000       
0.000000 3294.093       414.8635 ?        ?        124.0356 7.966726 ? ? 
1 1 1 6   -13 16 f 74.15112 4.526109  1142.504       138.6395 902.7595       
181.6159 1477.313       214.6237 65.02061 6.653098 83.28164 6.138318 -18.26102 
9.052218 
1 1 1 6   -13 17 o 162.4042 6.134739  5737.313       418.2785 5694.190       
589.9539 5780.902       593.1291 161.7842 8.685666 163.0243 8.665984 -1.240128 
12.26948 
1 1 1 6   -13 18 o 99.49194 4.173766  2105.771       173.4942 2255.042       
261.3746 1988.202       231.9653 102.5674 6.069811 96.41650 5.730504 6.150864 
8.347531 
1 1 1 6   -13 19 o 113.0975 4.048365  2707.114       188.8768 2948.155       
301.0752 2550.689       242.5400 117.0088 6.128828 109.1863 5.290984 7.822540 
8.096730 
1 1 1 6   -13 20 o 25.17433 6.617453  122.4845       89.38961 33.40980       
182.7488 150.4989       102.4868 24.24759 10.29623 26.10106 8.315667 -1.853472 
13.23491 
1 1 1 6   -13 21 o 56.32704 4.503771  693.8093       96.12186 695.4324       
179.0998 693.1526       113.9186 55.86909 7.635624 56.78498 4.778397 
-0.9158936     9.007543 
1 1 1 6   -13 22 o 22.11920 6.297756  30.04237       82.35852 167.7097       
161.3932 -18.42871      95.76594 28.05070 10.36541 16.18770 7.155779 11.86300 
12.59551 
1 1 1 6   -13 23 o 16.21042 5.440215  -116.8952      83.80035 -58.40652      
165.4973 -137.0621      97.17951 19.79164 9.011947 12.62920 6.096604 7.162438 
10.88043 
1 1 1 6   -13 24 o 38.74626 6.382438  397.2992       94.99207 299.4320       
187.8988 430.8997       110.0977 33.61566 11.27922 43.87686 5.976733 -10.26120 
12.76488 
1 1 1 6   -13 25 o 28.80163 6.976942  217.5361       102.4413 139.5477       
190.3790 249.3197       121.5362 26.30428 10.78584 31.29899 8.853055 -4.994711 
13.95388 
1 1 1 6   -13 26 o 66.78522 4.917773  1019.273       117.5652 1115.371       
240.8481 989.2135       134.7035 66.86926 8.579022 66.70118 4.810235 0.1680832 
9.835546 
1 1 1 6   -13 27 o 25.07932 7.022280  140.3893       95.62423 217.5987       
202.4014 118.2036       108.4964 27.77630 11.21747 22.38234 8.450913 5.393965 
14.04456 
1 1 1 6   -13 28 o 31.69631 6.491296  340.7106       102.2857 145.8237       
215.3167 397.5083       116.2390 24.20455 10.71083 39.18806 7.336609 -14.98352 
12.98259 
1 1 1 6   -12 0  o 304.0965 5.219356  19610.29       661.3642 20787.96       
899.9157 18227.23       975.2390 314.1718 6.822690 294.0212 7.900481 20.15063 
10.43871 
1 1 1 6   -12 1  o 134.5862 2.556652  3915.294       133.0252 4104.966       
161.7058 3518.233       233.9659 139.8004 2.755105 129.3719 4.307583 10.42848 
5.113304 
1 1 1 6   -12 2  o 126.6790 2.721800  3391.316       134.7505 3424.534       
163.5084 3320.995       237.9004 127.6786 3.050303 125.6795 4.508706 1.999138 
5.443600 
1 1 1 6   -12 3  o 63.73979 2.511758  853.8442       65.04652 854.1356       
82.22453 853.3569       106.3360 63.76281 3.071532 63.71677 3.975098 
0.4604340E-01  5.023516 
1 1 1 6   -12 4  o 195.8493 3.603042  8025.558       279.1413 7937.305       
340.7910 8205.485       486.6025 194.2979 4.177738 197.4007 5.871469 -3.102783 
7.206084 
1 1 1 6   -12 5  o 100.8931 3.337899  2141.085       141.3025 2126.787       
196.1464 2156.511       203.7334 100.5465 4.646589 101.2397 4.793276 
-0.6931534     6.675799 
1 1 1 6   -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -12 7  o 91.11216 3.432527  1722.862       126.8332 1842.961       
211.5009 1655.419       158.4942 93.52428 5.386528 88.70004 4.256087 4.824234 
6.865054 
1 1 1 6   -12 8  f 93.89951 3.515383  1854.916       138.4250 1734.623       
192.0667 1984.935       199.6803 90.73146 5.042144 97.06757 4.899844 -6.336105 
7.030767 
1 1 1 6   -12 9  f 181.8371 5.949490  7028.046       447.9115 7014.670       
692.7695 7037.654       587.1401 181.5034 9.091280 182.1707 7.676872 
-0.6672821     11.89898 
1 1 1 6   -12 10 o 40.37845 5.233534  362.7385       83.47991 311.0464       
133.5388 395.8981       106.9548 37.48067 8.654840 43.27622 5.886702 -5.795551 
10.46707 
1 1 1 6   -12 11 o 122.7359 4.182551  3167.097       206.9131 3263.576       
347.0867 3113.907       257.7141 124.0413 6.664885 121.4305 5.055121 2.610855 
8.365103 
1 1 1 6   -12 12 o 23.02136 6.140949  73.39532       84.23863 12.85815       
119.1726 133.8489       119.0903 19.93836 8.382719 26.10436 8.976360 -6.165997 
12.28190 
1 1 1 6   -12 13 o 160.9189 6.779202  5599.515       453.9315 5348.694       
679.4983 5801.666       610.0197 157.3491 10.28597 164.4888 8.833416 -7.139633 
13.55840 
1 1 1 6   -12 14 o 65.68578 6.919713  917.3959       190.8264 917.3959       
190.8264 0.000000       0.000000 65.68578 6.919713 ?        ?        ? ? 
1 1 1 6   -12 15 o 161.4746 9.020882  5596.964       611.5501 0.000000       
0.000000 5596.964       611.5501 ?        ?        161.4746 9.020882 ? ? 
1 1 1 6   -12 16 o 43.94356 5.745689  421.5790       103.1004 344.2289       
143.3450 504.4788       148.3983 39.26206 8.899983 48.62505 7.269254 -9.362995 
11.49138 
1 1 1 6   -12 17 o 32.78841 7.326259  234.4116       113.4571 199.4475       
170.4933 262.2018       151.9996 31.27666 10.74171 34.30017 9.965540 -3.023508 
14.65252 
1 1 1 6   -12 18 o 159.6161 6.871186  5533.018       457.6292 6119.507       
695.9489 5086.252       607.4178 166.8335 9.936083 152.3986 9.493526 14.43484 
13.74237 
1 1 1 6   -12 19 o 97.81951 4.300865  2058.919       166.4082 2027.705       
286.8084 2074.760       204.3150 96.90908 7.049340 98.72994 4.929155 -1.820862 
8.601730 
1 1 1 6   -12 20 o 85.99821 3.859814  1562.105       127.3938 1640.332       
235.8010 1529.861       151.3892 87.15536 6.444254 84.84106 4.250205 2.314301 
7.719628 
1 1 1 6   -12 21 o 76.97991 3.863616  1313.957       119.5731 1118.869       
190.2863 1441.259       153.7122 71.79407 6.313064 82.16576 4.455933 -10.37169 
7.727232 
1 1 1 6   -12 22 o 132.6477 4.305590  3776.512       223.3754 4019.039       
400.2174 3666.777       269.2080 134.8062 7.071426 130.4891 4.913995 4.317093 
8.611179 
1 1 1 6   -12 23 o 73.81126 4.124172  1051.209       105.7639 1470.434       
241.3867 951.6057       117.6591 81.06274 7.092726 66.55978 4.210511 14.50296 
8.248343 
1 1 1 6   -12 24 o 28.09404 6.833887  155.7993       90.37158 281.2806       
171.3232 107.4243       106.3746 33.31276 10.76555 22.87532 8.420863 10.43744 
13.66777 
1 1 1 6   -12 25 o 87.24435 3.971320  1740.491       135.5116 1544.452       
230.1786 1844.479       167.6430 82.38071 6.655191 92.10799 4.335201 -9.727272 
7.942640 
1 1 1 6   -12 26 o 19.11499 6.173096  -53.01377      100.3189 43.87827       
183.4643 -94.34021      119.8179 22.88611 10.02285 15.34388 7.209080 7.542233 
12.34619 
1 1 1 6   -12 27 o 36.89072 6.904376  341.7762       102.6388 466.3591       
184.8220 286.2216       123.4197 40.65696 10.68675 33.12448 8.744998 7.532475 
13.80875 
1 1 1 6   -12 28 o 31.42257 7.262966  290.7138       107.4627 288.5906       
192.5445 291.6743       129.5104 30.37867 11.30240 32.46646 9.124601 -2.087793 
14.52593 
1 1 1 6   -12 29 o 31.45792 7.415140  314.9394       109.8152 364.5516       
198.8658 293.1740       131.7192 31.63966 11.52672 31.27618 9.331232 0.3634796 
14.83028 
1 1 1 6   -11 0  o 109.2415 2.003706  2473.124       86.79514 2408.129       
105.8380 2606.600       151.6719 107.0876 2.354094 111.3955 3.243084 -4.307983 
4.007412 
1 1 1 6   -11 1  o 228.4445 3.945073  11118.42       339.2452 11302.54       
401.1755 10656.33       635.5611 231.9118 4.120336 224.9771 6.728837 6.934677 
7.890146 
1 1 1 6   -11 2  o 53.54522 2.749515  648.2282       57.27890 791.7540       
74.36918 438.9348       89.80608 61.39712 2.885134 45.69332 4.681382 15.70380 
5.499031 
1 1 1 6   -11 3  o 171.0374 3.405074  6137.624       227.4744 6114.545       
274.9425 6187.695       404.9873 170.5805 3.839137 171.4944 5.624869 
-0.9139862     6.810149 
1 1 1 6   -11 4  o 89.10255 2.662294  1651.132       97.74625 1755.866       
155.8292 1583.191       125.5079 91.40010 4.060908 86.80500 3.443875 4.595100 
5.324589 
1 1 1 6   -11 5  o 305.1426 5.205770  19693.71       649.9457 19365.19       
1038.650 19905.13       833.2471 302.8860 8.167912 307.3993 6.456423 -4.513367 
10.41154 
1 1 1 6   -11 6  o 122.0747 3.447535  3117.556       174.0084 3233.856       
272.9579 3037.935       225.8509 123.9608 5.244842 120.1885 4.475894 3.772270 
6.895070 
1 1 1 6   -11 7  o 106.7900 3.803841  2403.972       167.8259 2385.043       
261.1746 2417.284       219.0317 106.4024 5.846560 107.1776 4.867704 
-0.7751389     7.607681 
1 1 1 6   -11 8  o 169.6662 5.948457  6068.333       423.7196 6068.333       
423.7196 0.000000       0.000000 169.6662 5.948457 ?        ?        ? ? 
1 1 1 6   -11 9  o 101.1724 3.716157  2080.792       142.8653 2336.286       
273.6031 1985.017       167.5159 105.2160 6.193845 97.12880 4.107988 8.087166 
7.432314 
1 1 1 6   -11 10 o 148.1905 4.590583  4699.457       280.8684 4266.117       
426.0397 5032.568       373.5349 141.9650 7.148089 154.4160 5.761825 -12.45097 
9.181166 
1 1 1 6   -11 11 o 184.3588 6.126170  7242.186       470.4490 7205.777       
709.9568 7270.687       628.1581 183.7767 9.201585 184.9409 8.090159 -1.164230 
12.25234 
1 1 1 6   -11 12 o 197.0568 6.689752  8268.772       544.3588 8582.502       
857.0389 8056.612       704.7823 199.8464 10.21469 194.2673 8.641246 5.579056 
13.37950 
1 1 1 6   -11 13 o 124.8584 5.611937  3232.351       285.6180 3711.851       
475.7021 2962.050       357.1609 131.7200 8.602098 117.9968 7.209663 13.72324 
11.22387 
1 1 1 6   -11 14 o 29.72450 10.05679  178.7423       149.3774 178.7423       
149.3774 0.000000       0.000000 29.72450 10.05679 ?        ?        ? ? 
1 1 1 6   -11 15 o 73.78932 6.691232  1156.762       207.2901 0.000000       
0.000000 1156.762       207.2901 ?        ?        73.78932 6.691232 ? ? 
1 1 1 6   -11 16 o 99.13819 4.755945  2048.324       189.4989 1954.440       
233.7454 2228.351       323.6791 96.04595 5.796757 102.2304 7.541462 -6.184479 
9.511889 
1 1 1 6   -11 17 o 43.34434 6.345337  411.3131       113.8056 507.0350       
164.9554 324.3643       157.2145 48.65731 8.074942 38.03136 9.790227 10.62595 
12.69067 
1 1 1 6   -11 18 o 42.42262 6.556576  400.0890       116.6455 291.9642       
163.5105 512.1392       166.4521 36.07045 10.28984 48.77480 8.128586 -12.70434 
13.11315 
1 1 1 6   -11 19 o 138.9160 5.215074  4127.624       270.0676 4222.953       
520.4753 4092.500       315.9265 139.1893 8.906673 138.6427 5.427630 0.5466003 
10.43015 
1 1 1 6   -11 20 o 60.41208 4.491327  691.7191       104.8024 1039.875       
203.0569 565.3004       122.3592 69.40887 6.968252 51.41528 5.668468 17.99360 
8.982654 
1 1 1 6   -11 21 o 70.31497 4.104009  1049.361       112.9377 1099.134       
201.6818 1026.623       136.3149 71.22952 6.744157 69.40043 4.678452 1.829086 
8.208018 
1 1 1 6   -11 22 o 23.96113 5.917960  112.7406       83.86928 -92.15379      
161.8585 187.9457       98.06048 19.24894 8.815076 28.67332 7.898319 -9.424377 
11.83592 
1 1 1 6   -11 23 o 72.25341 4.446371  1190.120       114.3304 1049.288       
225.9009 1238.615       132.5616 68.40984 7.865394 76.09698 4.149268 -7.687134 
8.892741 
1 1 1 6   -11 24 o 49.14372 5.416308  578.1365       94.44556 497.1267       
176.8853 610.4412       111.7006 45.25751 9.600727 53.02993 5.017131 -7.772423 
10.83262 
1 1 1 6   -11 25 o 31.81549 6.304633  253.8685       86.06827 213.9605       
150.4656 273.2768       104.9300 29.67463 10.09336 33.95635 7.557631 -4.281723 
12.60927 
1 1 1 6   -11 26 o 49.13663 4.917108  535.4096       96.05625 617.5248       
169.0588 496.2623       116.7286 51.23158 7.859975 47.04169 5.910379 4.189892 
9.834215 
1 1 1 6   -11 27 o 24.50503 6.886606  118.2828       99.49578 163.7723       
177.9347 97.58923       120.0114 26.74695 10.62557 22.26312 8.763477 4.483829 
13.77321 
1 1 1 6   -11 28 f 87.08854 4.885019  1785.599       172.6004 1847.536       
283.0256 1748.925       217.7856 86.99275 7.749323 87.18433 5.949929 
-0.1915741     9.770039 
1 1 1 6   -11 29 o 33.81429 7.322765  341.7188       109.9400 358.4618       
198.8608 334.3489       131.9363 32.86231 11.57025 34.76627 8.978906 -1.903961 
14.64553 
1 1 1 6   -11 30 o 21.06589 6.617449  71.43413       109.5277 117.4025       
197.7555 51.09361       131.5468 22.88336 10.17965 19.24843 8.457966 3.634930 
13.23490 
1 1 1 6   -10 0  o 97.47559 2.175832  2048.522       84.43891 2180.299       
105.9523 1819.134       139.7897 101.8954 2.476719 93.05576 3.578105 8.839668 
4.351664 
1 1 1 6   -10 1  o 151.7186 2.892314  4889.986       155.6506 4937.169       
178.1194 4737.561       320.1461 153.3254 2.767057 150.1117 5.079894 3.213684 
5.784629 
1 1 1 6   -10 2  o 222.1615 4.132252  10162.23       331.9039 9956.754       
380.3847 10817.70       679.3956 217.6715 4.162388 226.6515 7.139787 -8.979996 
8.264504 
1 1 1 6   -10 3  o 136.2417 3.293602  3902.602       188.3268 3869.940       
269.2206 3933.899       263.5389 135.6806 4.726195 136.8028 4.588500 -1.122223 
6.587204 
1 1 1 6   -10 4  o 177.1412 3.246725  6697.311       236.1908 6043.624       
363.9306 7173.007       310.4552 169.5289 5.113238 184.7536 4.002461 -15.22473 
6.493450 
1 1 1 6   -10 5  f 51.65881 3.304821  569.7823       70.54027 492.3901       
104.6609 634.2018       95.48703 48.38588 5.152133 54.93174 4.140398 -6.545864 
6.609642 
1 1 1 6   -10 6  o 127.4475 3.082075  3422.354       164.0883 3332.607       
242.7684 3497.842       222.6469 125.8953 4.593074 128.9997 4.111012 -3.104393 
6.164151 
1 1 1 6   -10 7  o 83.92433 2.935797  1484.493       103.0646 1429.326       
150.6624 1533.016       141.2986 82.44890 4.352522 85.39977 3.940961 -2.950874 
5.871594 
1 1 1 6   -10 8  o 275.3730 8.214879  16150.87       888.5313 16063.12       
1557.770 16193.18       1081.759 274.1768 13.53299 276.5692 9.316394 -2.392395 
16.42976 
1 1 1 6   -10 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -10 10 o 86.55917 3.754953  1575.756       136.3304 1659.911       
197.7265 1499.495       188.2249 88.75832 5.306116 84.36001 5.314491 4.398315 
7.509905 
1 1 1 6   -10 11 o 104.4477 3.894892  2268.753       161.7876 2400.860       
281.1698 2203.362       197.8168 106.6144 6.281650 102.2810 4.606690 4.333389 
7.789783 
1 1 1 6   -10 12 o 121.9706 4.413212  3131.261       225.4343 3361.951       
333.2941 2936.722       306.0677 126.0846 6.296316 117.8566 6.185641 8.228073 
8.826424 
1 1 1 6   -10 13 o 84.16228 3.751188  1505.555       130.6166 1437.328       
200.0822 1556.226       172.4273 82.44115 5.780766 85.88340 4.782091 -3.442245 
7.502376 
1 1 1 6   -10 14 o 131.1590 6.255599  3647.388       344.4658 3647.388       
344.4658 0.000000       0.000000 131.1590 6.255599 ?        ?        ? ? 
1 1 1 6   -10 15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -10 16 o 74.32862 4.285124  1171.458       133.5629 1245.549       
190.0415 1099.141       187.7521 76.67001 5.903969 71.98723 6.212271 4.682785 
8.570249 
1 1 1 6   -10 17 o 83.56717 4.709463  1461.287       163.7780 1317.534       
214.9241 1660.363       252.9214 78.76489 6.499405 88.36945 6.817175 -9.604561 
9.418925 
1 1 1 6   -10 18 o 75.38049 4.758834  1200.109       149.7506 1297.366       
226.9119 1125.066       199.3196 78.03365 6.926223 72.72733 6.527898 5.306320 
9.517669 
1 1 1 6   -10 19 o 189.4466 6.947908  7802.653       521.7609 7868.106       
899.3457 7769.445       640.5862 188.8967 11.34027 189.9966 8.030690 -1.099869 
13.89582 
1 1 1 6   -10 20 o 62.55421 4.824829  923.4052       106.6787 676.7355       
202.0732 1018.715       125.6088 55.76314 8.631426 69.34529 4.314437 -13.58215 
9.649657 
1 1 1 6   -10 21 o 61.71435 4.307128  834.4666       100.8064 774.9679       
184.3215 859.8574       120.4098 59.81028 7.340425 63.61841 4.508167 -3.808132 
8.614257 
1 1 1 6   -10 22 o 73.83151 4.342785  1186.473       118.5276 1151.212       
228.2223 1199.496       138.7000 72.59573 7.488039 75.06728 4.400953 -2.471550 
8.685570 
1 1 1 6   -10 23 o 47.32584 5.727077  500.5125       94.50484 515.8907       
192.5505 495.6326       108.4680 46.68964 10.10845 47.96205 5.386727 -1.272411 
11.45415 
1 1 1 6   -10 24 o 82.33763 4.289199  1480.023       132.4139 1488.630       
251.1618 1476.710       155.8291 81.74609 7.318257 82.92916 4.475715 -1.183067 
8.578399 
1 1 1 6   -10 25 o 73.56073 3.925318  1214.294       112.8746 1096.682       
193.4920 1274.963       138.9709 70.18287 6.566789 76.93858 4.302300 -6.755714 
7.850637 
1 1 1 6   -10 26 o 114.7316 4.259920  2959.924       197.1125 2827.119       
322.0067 3039.510       249.2726 111.6524 6.869383 117.8108 5.039768 -6.158333 
8.519840 
1 1 1 6   -10 27 o 38.02301 6.383622  290.2404       93.19022 589.4773       
186.7370 191.0016       107.5384 48.22029 9.564033 27.82573 8.457647 20.39456 
12.76724 
1 1 1 6   -10 28 o 43.89532 6.328464  523.0830       103.5083 401.4043       
190.5225 574.0374       123.2906 37.50947 11.22885 50.28117 5.840440 -12.77170 
12.65693 
1 1 1 6   -10 29 o 26.75211 6.936097  188.2521       97.61632 165.3505       
189.0333 196.5799       113.9913 26.17704 10.74300 27.32718 8.776433 -1.150146 
13.87219 
1 1 1 6   -10 30 o 59.20662 5.330142  852.0800       116.6057 974.4282       
228.4605 808.9797       135.5978 59.53180 9.140781 58.88145 5.485234 0.6503487 
10.66028 
1 1 1 6   -9  0  o 529.3705 7.613306  59824.31       1254.232 60132.95       
1374.365 58286.85       3067.505 534.6563 6.122779 524.0847 13.94135 10.57166 
15.22661 
1 1 1 6   -9  1  o 446.0609 7.434294  42188.39       1272.430 42424.38       
1520.427 41636.77       2324.616 448.7238 8.070632 443.3981 12.48759 5.325745 
14.86859 
1 1 1 6   -9  2  o 343.9326 4.745220  24243.36       497.5389 25856.45       
1277.934 23955.17       540.1585 350.1953 8.691989 337.6699 3.810219 12.52542 
9.490439 
1 1 1 6   -9  3  o 243.0950 5.229260  12446.88       533.6287 12338.00       
758.6451 12553.49       750.7467 242.0351 7.465887 244.1548 7.324015 -2.119690 
10.45852 
1 1 1 6   -9  4  o 40.43706 3.448474  342.0951       56.38583 481.6404       
84.27944 229.0208       75.86575 47.87424 4.193153 32.99987 5.475888 14.87437 
6.896947 
1 1 1 6   -9  5  o 78.05688 2.621865  1259.707       85.13929 1132.801       
111.5928 1436.467       131.7003 73.42942 3.619822 82.68434 3.793889 -9.254921 
5.243730 
1 1 1 6   -9  6  o 153.6305 3.454177  4934.215       220.4021 5150.557       
340.4923 4778.193       289.1537 156.4967 5.182308 150.7643 4.568265 5.732422 
6.908355 
1 1 1 6   -9  7  o 83.31898 2.783219  1459.170       97.34090 1476.555       
136.9465 1441.418       138.3864 83.82172 3.891486 82.81624 3.980147 1.005478 
5.566438 
1 1 1 6   -9  8  o 298.3002 5.873773  18887.17       705.1088 19151.23       
883.1334 18422.85       1171.073 301.4407 6.978234 295.1598 9.450349 6.280853 
11.74755 
1 1 1 6   -9  9  o 145.6573 4.373445  4218.629       170.2426 4804.015       
518.9174 4148.024       180.2172 150.8048 8.196040 140.5097 3.054998 10.29509 
8.746890 
1 1 1 6   -9  10 o 139.0801 4.813101  4098.862       279.1125 3905.813       
414.0121 4259.705       377.9038 136.0181 7.249993 142.1421 6.332565 -6.124023 
9.626203 
1 1 1 6   -9  11 o 178.0053 8.392699  6711.459       627.2108 6711.459       
627.2108 0.000000       0.000000 178.0053 8.392699 ?        ?        ? ? 
1 1 1 6   -9  12 o 141.9880 4.722697  4203.057       263.7068 4426.139       
468.0435 4099.305       319.1928 144.5500 7.712391 139.4260 5.452936 5.124069 
9.445395 
1 1 1 6   -9  13 f 63.03735 4.238439  847.3043       110.3763 888.4167       
145.8790 792.2502       168.8113 64.88414 5.355196 61.19057 6.571099 3.693573 
8.476878 
1 1 1 6   -9  14 o 55.17840 4.982623  646.8439       114.9192 571.5823       
160.9291 725.1575       164.1597 51.86966 7.389964 58.48713 6.685400 -6.617466 
9.965246 
1 1 1 6   -9  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -9  16 o 109.8847 5.067154  2511.961       224.9315 2366.910       
278.6698 2783.137       381.0263 105.6134 6.284806 114.1560 7.950185 -8.542587 
10.13431 
1 1 1 6   -9  17 o 107.9211 6.510723  2472.824       294.9950 2472.824       
294.9950 0.000000       0.000000 107.9211 6.510723 ?        ?        ? ? 
1 1 1 6   -9  18 o 138.5833 6.313930  4034.460       359.6632 4539.787       
582.8301 3723.678       457.0712 145.2241 9.559263 131.9425 8.251261 13.28162 
12.62786 
1 1 1 6   -9  19 o 154.6540 5.010437  5041.399       307.5493 5284.857       
534.9998 4921.236       375.8611 157.0307 8.115029 152.2773 5.879134 4.753433 
10.02087 
1 1 1 6   -9  20 o 42.16232 5.847243  372.8016       92.83016 436.6239       
175.1573 347.8733       109.4683 43.95530 9.749037 40.36934 6.458892 3.585964 
11.69449 
1 1 1 6   -9  21 o 81.35625 3.918592  1408.475       127.4084 1419.762       
216.4450 1402.491       157.6066 81.41389 6.332426 81.29861 4.617559 0.1152725 
7.837185 
1 1 1 6   -9  22 o 125.4607 4.816661  3322.295       216.2135 3546.936       
447.6185 3253.932       246.9309 127.2744 8.376989 123.6469 4.756781 3.627464 
9.633323 
1 1 1 6   -9  23 o 69.70168 4.561963  1121.143       122.1198 848.5933       
204.1009 1273.124       152.4116 62.16569 7.820152 77.23766 4.700133 -15.07196 
9.123926 
1 1 1 6   -9  24 o 52.03544 4.610322  574.6404       96.88353 653.0685       
164.7922 533.2134       119.7684 54.44608 7.209266 49.62480 5.748633 4.821274 
9.220645 
1 1 1 6   -9  25 o 60.20731 4.371532  797.6791       103.9400 789.1371       
179.4077 801.9949       127.5216 59.50397 7.181516 60.91064 4.986682 -1.406673 
8.743064 
1 1 1 6   -9  26 o 53.84421 4.307149  660.5881       93.20268 560.1266       
147.5598 727.2704       120.2192 49.86317 7.048702 57.82525 4.951964 -7.962074 
8.614299 
1 1 1 6   -9  27 o 33.46639 6.660718  279.2556       90.48173 273.5769       
179.8456 281.1801       104.6971 32.55200 11.03486 34.38078 7.462740 -1.828781 
13.32144 
1 1 1 6   -9  28 o 59.72266 5.535694  941.5455       112.6995 621.4694       
199.6197 1091.300       136.5419 48.91339 10.06547 70.53193 4.611066 -21.61854 
11.07139 
1 1 1 6   -9  29 o 23.94592 6.755040  113.2572       89.04881 146.8875       
190.9510 103.9107       100.6652 26.08815 10.76715 21.80368 8.160319 4.284468 
13.51008 
1 1 1 6   -9  30 o 20.31846 6.459162  -41.02900      100.0112 173.6555       
200.4259 -112.2073      115.4057 26.35021 10.96243 14.28671 6.834333 12.06350 
12.91832 
1 1 1 6   -9  31 o 17.85427 5.790985  -20.22416      102.0896 -247.8223      
203.7873 56.03188       117.9587 16.62118 8.185957 19.08737 8.193421 -2.466190 
11.58197 
1 1 1 6   -8  0  o 152.7415 1.929500  4810.807       119.7693 5243.829       
199.4531 4566.611       149.7802 158.0132 3.006551 147.4700 2.419201 10.54320 
3.859000 
1 1 1 6   -8  1  o 310.2298 3.535706  19845.24       341.3152 19660.73       
372.5518 20809.20       851.5330 305.9676 2.900229 314.4920 6.449305 -8.524384 
7.071412 
1 1 1 6   -8  2  o 66.61491 2.551593  932.6321       71.29162 943.1408       
98.98382 921.3051       102.7656 67.00619 3.518604 66.22363 3.696205 0.7825546 
5.103186 
1 1 1 6   -8  3  o 268.3157 5.569842  15114.22       619.0373 14859.27       
808.6354 15475.15       962.1400 265.6631 7.250076 270.9682 8.457480 -5.305084 
11.13968 
1 1 1 6   -8  4  o 175.1805 3.061672  6271.020       186.1625 6767.442       
405.3975 6138.364       209.5652 179.4009 5.382418 170.9602 2.919747 8.440750 
6.123344 
1 1 1 6   -8  5  o 237.5476 5.169913  11878.76       515.4297 12050.59       
740.3821 11717.17       717.9889 239.2075 7.372286 235.8877 7.249924 3.319778 
10.33983 
1 1 1 6   -8  6  o 317.8422 7.079368  21313.10       940.7064 21617.31       
1400.290 21062.89       1269.958 319.8228 10.42869 315.8616 9.576651 3.961243 
14.15874 
1 1 1 6   -8  7  o 330.4365 5.297824  22969.25       670.2078 23093.42       
1235.401 22917.46       797.8147 330.8191 8.894848 330.0540 5.757555 0.7651062 
10.59565 
1 1 1 6   -8  8  o 277.2001 4.442647  16454.18       475.5182 15454.64       
848.4543 16911.92       574.1678 270.7967 7.462875 283.6036 4.822233 -12.80692 
8.885294 
1 1 1 6   -8  9  o 78.23001 3.168762  1282.683       103.7465 1335.575       
154.0878 1238.822       140.3167 79.69707 4.605185 76.76295 4.353904 2.934113 
6.337523 
1 1 1 6   -8  10 o 248.0005 5.311217  13014.66       550.7172 12490.44       
806.5712 13472.50       753.7706 243.2417 7.898157 252.7593 7.103185 -9.517609 
10.62243 
1 1 1 6   -8  11 o 196.6252 5.997410  8279.405       482.9073 8694.320       
627.2904 7675.778       756.6133 202.9313 7.362761 190.3191 9.469185 12.61217 
11.99482 
1 1 1 6   -8  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -8  13 o 137.4553 4.990656  3938.424       284.7865 3634.529       
370.8486 4375.230       444.6097 131.1320 6.736110 143.7787 7.365556 -12.64671 
9.981312 
1 1 1 6   -8  14 o 71.87897 4.615804  1093.604       138.8581 1086.125       
204.2128 1100.035       189.3756 71.62726 6.790874 72.13067 6.253530 
-0.5034103     9.231608 
1 1 1 6   -8  15 o 75.09086 5.353992  1191.178       168.7888 1191.178       
168.7888 0.000000       0.000000 75.09086 5.353992 ?        ?        ? ? 
1 1 1 6   -8  16 o 178.4548 10.10671  6861.118       757.2110 0.000000       
0.000000 6861.118       757.2110 ?        ?        178.4548 10.10671 ? ? 
1 1 1 6   -8  17 o 106.7725 4.714302  2421.097       210.4105 2408.203       
284.3169 2436.709       312.8571 106.5169 6.357774 107.0281 6.962563 
-0.5112152     9.428603 
1 1 1 6   -8  18 o 153.7217 5.719260  5105.964       345.5834 4876.024       
598.1534 5221.173       423.3983 150.6041 9.460128 156.8393 6.430063 -6.235245 
11.43852 
1 1 1 6   -8  19 o 273.2332 9.067871  16366.54       916.3424 16449.73       
1773.713 16336.26       1070.228 270.8015 15.60104 275.6650 9.247316 -4.863525 
18.13574 
1 1 1 6   -8  20 o 85.40869 3.855859  1607.094       130.4133 1341.382       
213.6159 1764.972       164.6605 79.40042 6.408139 91.41695 4.290262 -12.01653 
7.711718 
1 1 1 6   -8  21 o 20.39256 6.252073  -3.542361      91.45171 -23.45182      
169.8420 4.586916       108.5279 22.15110 9.672696 18.63401 7.924179 3.517090 
12.50415 
1 1 1 6   -8  22 o 139.6262 5.426084  4236.175       301.6655 4166.461       
512.3093 4273.176       373.2312 138.0526 8.839112 141.1998 6.296002 -3.147186 
10.85217 
1 1 1 6   -8  23 o 62.02166 4.598494  821.6282       111.1121 850.1802       
199.4295 808.7755       133.8035 62.49718 7.600638 61.54613 5.178308 0.9510574 
9.196988 
1 1 1 6   -8  24 o 77.10688 4.167927  1215.801       116.3142 1418.336       
241.7542 1154.796       132.6802 80.58056 7.146029 73.63320 4.291937 6.947357 
8.335854 
1 1 1 6   -8  25 o 84.39017 3.694639  1532.057       119.8729 1546.071       
218.8444 1526.051       143.2791 84.20895 6.190107 84.57138 4.035343 
-0.3624268     7.389277 
1 1 1 6   -8  26 o 35.94624 6.133006  324.4089       91.99999 219.9573       
159.8814 376.1152       112.4896 30.64896 10.40437 41.24353 6.496471 -10.59457 
12.26601 
1 1 1 6   -8  27 o 80.78313 4.471397  1468.704       134.3345 1420.730       
254.4844 1487.235       158.1660 78.71688 7.700420 82.84939 4.547209 -4.132507 
8.942795 
1 1 1 6   -8  28 o 52.08668 5.131602  590.0761       99.91432 708.8149       
197.3271 549.1385       115.8649 54.43852 8.633788 49.73483 5.548969 4.703693 
10.26320 
1 1 1 6   -8  29 o 27.47415 6.373456  203.4891       94.26558 -0.2313293     
196.2628 264.5781       107.4738 22.21896 10.00369 32.72935 7.899997 -10.51039 
12.74691 
1 1 1 6   -8  30 o 69.85555 4.892432  1083.353       112.7045 1271.881       
261.5210 1040.352       124.8980 70.98465 8.775326 68.72643 4.328653 2.258217 
9.784864 
1 1 1 6   -8  31 o 43.35998 6.649136  509.0681       103.7172 527.7992       
213.0094 503.2472       118.7443 40.51262 11.80582 46.20734 6.121006 -5.694721 
13.29827 
1 1 1 6   -8  32 o 20.78245 6.239991  92.21709       91.44461 -36.25970      
211.7051 121.6858       101.3910 19.91852 9.433568 21.64637 8.170542 -1.727852 
12.47998 
1 1 1 6   -7  0  o 100.7893 1.677117  2164.744       69.89983 2407.314       
94.77472 1875.409       103.5082 107.0757 2.108253 94.50290 2.608860 12.57275 
3.354233 
1 1 1 6   -7  1  o 254.7568 3.998500  13598.66       412.6122 13830.35       
682.4144 13465.15       518.0303 256.4054 6.339311 253.1081 4.874950 3.297256 
7.997000 
1 1 1 6   -7  2  o 255.4667 4.581217  13694.64       421.9984 13660.29       
485.0723 13801.58       855.7996 254.9564 4.531705 255.9771 7.963282 -1.020676 
9.162435 
1 1 1 6   -7  3  o 113.9143 2.644494  2723.988       126.3490 2770.481       
183.4193 2682.004       174.2983 114.8371 3.804380 112.9915 3.674247 1.845581 
5.288989 
1 1 1 6   -7  4  o 143.8137 3.313627  4350.060       198.6291 4319.863       
298.8664 4373.952       265.8342 143.3556 4.965734 144.2718 4.388847 
-0.9161835     6.627254 
1 1 1 6   -7  5  o 301.1939 6.636436  19066.77       835.0333 19828.30       
1254.399 18460.78       1118.997 306.5154 9.747754 295.8724 9.008353 10.64304 
13.27287 
1 1 1 6   -7  6  o 307.4293 6.803919  19948.03       877.1882 19932.50       
1270.753 19962.16       1212.369 307.2753 9.850414 307.5833 9.388430 
-0.3080139     13.60784 
1 1 1 6   -7  7  o 541.3224 9.514241  62122.61       1662.546 62083.43       
1837.201 62299.76       3906.799 542.7521 8.062623 539.8926 17.23593 2.859436 
19.02848 
1 1 1 6   -7  8  o 339.7986 5.804604  24277.96       625.2029 24243.76       
687.0615 24442.65       1507.669 339.5865 4.819103 340.0107 10.56172 
-0.4241333     11.60921 
1 1 1 6   -7  9  o 145.5030 3.613958  4452.073       220.7610 4489.511       
313.5327 4415.263       310.8905 146.1096 5.111227 144.8964 5.110589 1.213181 
7.227915 
1 1 1 6   -7  10 o 98.13029 3.209164  2016.465       131.3536 2094.037       
198.9295 1956.498       174.9049 99.78933 4.748279 96.47125 4.318423 3.318077 
6.418328 
1 1 1 6   -7  11 o 292.8707 4.064415  17646.83       417.1425 17322.01       
471.7231 18811.86       893.3762 287.0624 3.914099 298.6789 7.124444 -11.61642 
8.128830 
1 1 1 6   -7  12 o 135.1019 3.648526  3832.270       205.4428 3923.128       
311.4221 3762.262       273.3640 136.4953 5.434412 133.7084 4.869715 2.786926 
7.297051 
1 1 1 6   -7  13 o 93.08243 4.038595  1829.725       157.4990 1712.267       
224.3199 1943.927       221.1876 90.11577 5.929091 96.04910 5.485150 -5.933327 
8.077190 
1 1 1 6   -7  14 o 92.17439 6.947379  1796.660       268.8501 1796.660       
268.8501 0.000000       0.000000 92.17439 6.947379 ?        ?        ? ? 
1 1 1 6   -7  15 o 30.34272 9.251646  197.3427       128.5436 197.3427       
128.5436 0.000000       0.000000 30.34272 9.251646 ?        ?        ? ? 
1 1 1 6   -7  16 o 106.7589 6.186789  2413.219       277.2990 0.000000       
0.000000 2413.219       277.2990 ?        ?        106.7589 6.186789 ? ? 
1 1 1 6   -7  17 o 95.36105 4.209383  1892.731       165.1914 1766.677       
210.6964 2093.831       266.1251 91.37837 5.492054 99.34372 6.380673 -7.965347 
8.418767 
1 1 1 6   -7  18 o 115.6799 4.682658  2798.124       206.0375 2949.690       
387.9974 2738.598       243.1539 117.5450 7.862232 113.8149 5.088657 3.730064 
9.365315 
1 1 1 6   -7  19 o 75.53609 4.246531  1219.833       124.7158 1181.141       
221.3679 1237.825       150.9524 74.50956 7.076585 76.56262 4.696175 -2.053062 
8.493063 
1 1 1 6   -7  20 o 168.2381 5.353240  5938.296       328.9878 6248.003       
659.6695 5835.766       379.5580 170.4494 9.218323 166.0267 5.445294 4.422760 
10.70648 
1 1 1 6   -7  21 o 146.1103 5.234793  4576.502       295.3116 4541.794       
533.4896 4591.836       354.5932 145.1642 8.753614 147.0563 5.743383 -1.892090 
10.46959 
1 1 1 6   -7  22 o 143.4417 4.921407  4417.672       275.2284 4398.599       
488.8718 4426.523       333.0185 142.6430 8.163298 144.2405 5.499233 -1.597534 
9.842814 
1 1 1 6   -7  23 o 73.53534 4.345859  1163.382       124.2927 1146.530       
221.1772 1171.161       150.2636 72.85445 7.231116 74.21623 4.822543 -1.361786 
8.691717 
1 1 1 6   -7  24 o 34.96115 6.669562  278.6577       93.96981 276.3400       
175.7014 279.5861       111.2119 34.77800 10.85978 35.14431 7.745799 
-0.3663101     13.33912 
1 1 1 6   -7  25 o 79.34749 4.009334  1395.378       128.7755 1182.605       
201.1492 1543.149       167.6308 73.74848 6.496603 84.94650 4.700340 -11.19802 
8.018668 
1 1 1 6   -7  26 o 67.44167 4.301539  1017.039       113.7255 919.0444       
194.0561 1068.301       140.3535 64.39745 7.177608 70.48588 4.742880 -6.088432 
8.603079 
1 1 1 6   -7  27 o 42.52174 5.822818  460.2210       90.02110 331.2253       
167.0930 512.9734       106.8542 36.50013 10.39862 48.54334 5.243039 -12.04321 
11.64564 
1 1 1 6   -7  28 o 57.80815 5.312230  832.0151       105.9000 636.4396       
196.7014 911.8409       125.6671 50.83906 9.566977 64.77724 4.620832 -13.93818 
10.62446 
1 1 1 6   -7  29 o 47.71880 6.202315  582.0605       116.2475 434.8616       
180.1444 687.0934       152.1707 40.54995 10.50086 54.88765 6.603550 -14.33769 
12.40463 
1 1 1 6   -7  30 o 64.54145 5.635453  1100.491       111.4661 825.5067       
236.0008 1179.448       126.4603 55.56233 10.49990 73.52057 4.097004 -17.95824 
11.27091 
1 1 1 6   -7  31 o 21.08422 6.322857  54.83407       103.3796 -143.0151      
199.5009 127.4636       120.8744 18.80167 8.992141 23.36678 8.891316 -4.565113 
12.64571 
1 1 1 6   -7  32 o 28.81086 7.748300  264.4968       128.0035 269.5749       
212.9752 261.6250       160.1586 28.55430 11.51703 29.06743 10.36834 
-0.5131283     15.49660 
1 1 1 6   -6  0  o 221.6757 3.441362  10397.98       300.7597 10534.99       
368.1936 10123.25       521.3853 223.9333 3.916324 219.4180 5.659884 4.515305 
6.882723 
1 1 1 6   -6  1  o 101.5615 2.310603  2162.844       94.17707 2154.212       
116.9840 2178.742       158.7563 101.2823 2.751149 101.8407 3.713048 
-0.5584335     4.621206 
1 1 1 6   -6  2  o 436.3071 9.298623  40293.64       1700.861 40887.68       
2480.047 39766.12       2337.077 439.2506 13.44834 433.3637 12.84522 5.886902 
18.59725 
1 1 1 6   -6  3  o 178.3725 2.600984  6677.458       192.2885 6644.906       
252.2519 6722.612       297.0907 177.8641 3.378059 178.8810 3.955907 -1.016830 
5.201969 
1 1 1 6   -6  4  o 209.7938 4.725679  9244.901       415.5900 9543.913       
608.2521 8983.090       569.1597 212.9607 6.803072 206.6269 6.560975 6.333862 
9.451359 
1 1 1 6   -6  5  o 234.6612 4.250461  11716.17       371.4969 11877.38       
436.1798 11290.29       708.9359 237.7439 4.369957 231.5785 7.291717 6.165421 
8.500921 
1 1 1 6   -6  6  o 113.3419 2.347968  2696.239       111.0562 2717.326       
166.7436 2679.426       148.8839 113.7362 3.491980 112.9475 3.139728 0.7886124 
4.695936 
1 1 1 6   -6  7  o 228.6728 4.261608  10713.09       295.8960 11419.88       
763.7758 10588.28       320.9609 232.8319 7.813480 224.5138 3.405103 8.318100 
8.523215 
1 1 1 6   -6  8  o 172.5012 4.225029  6254.873       305.8612 6065.777       
425.4645 6457.117       440.0081 169.8056 5.968048 175.1967 5.982129 -5.391098 
8.450057 
1 1 1 6   -6  9  o 244.1556 3.060047  12533.32       313.2467 12624.54       
432.7672 12432.93       453.9900 245.0973 4.205687 243.2140 4.446095 1.883270 
6.120095 
1 1 1 6   -6  10 o 254.2406 4.718942  13680.18       493.7180 13978.57       
641.7071 13247.31       772.8971 257.7378 5.930343 250.7434 7.341981 6.994415 
9.437884 
1 1 1 6   -6  11 o 324.3901 6.867580  22279.81       929.0752 22002.04       
1391.851 22503.04       1247.750 322.4210 10.28230 326.3591 9.106531 -3.938110 
13.73516 
1 1 1 6   -6  12 o 190.9945 3.866774  7635.525       306.9676 7391.427       
403.6288 7970.394       472.7562 187.4247 5.129515 194.5642 5.787559 -7.139435 
7.733548 
1 1 1 6   -6  13 o 27.42118 5.027310  159.3366       62.58307 251.5618       
90.32883 74.19836       86.78891 33.97414 6.567242 20.86822 7.613588 13.10593 
10.05462 
1 1 1 6   -6  14 o 82.54248 4.296352  1434.253       148.3158 1407.085       
200.3086 1467.224       220.6666 81.69366 5.840262 83.39130 6.302848 -1.697647 
8.592704 
1 1 1 6   -6  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -6  16 o 164.0430 7.431758  5708.889       511.8329 0.000000       
0.000000 5708.889       511.8329 ?        ?        164.0430 7.431758 ? ? 
1 1 1 6   -6  17 o 118.2452 5.111291  2970.013       253.6889 3008.002       
363.2970 2933.860       354.4086 118.9741 7.273282 117.5163 7.183352 1.457787 
10.22258 
1 1 1 6   -6  18 o 136.0526 4.718580  3914.159       261.7533 4006.265       
426.2258 3858.389       331.6635 137.1473 7.402417 134.9579 5.853564 2.189377 
9.437160 
1 1 1 6   -6  19 o 47.56935 5.661454  498.9766       96.86330 476.5146       
186.1363 507.3184       113.4325 46.18115 9.886956 48.95755 5.518725 -2.776398 
11.32291 
1 1 1 6   -6  20 o 45.28816 5.743934  464.7856       96.48935 401.3769       
174.3272 492.7909       115.8541 42.33875 9.962179 48.23757 5.720673 -5.898827 
11.48787 
1 1 1 6   -6  21 o 41.03940 5.770212  434.3574       92.95437 178.3799       
155.4030 576.9644       115.9923 29.86979 10.25563 52.20900 5.291817 -22.33921 
11.54042 
1 1 1 6   -6  22 o 158.6871 6.286869  5456.637       412.6424 5354.117       
636.8770 5530.813       541.7300 156.9859 9.663091 160.3883 8.045096 -3.402451 
12.57374 
1 1 1 6   -6  23 o 20.82842 6.465258  -14.24225      95.35317 -15.42388      
191.0405 -13.85021      110.0403 23.68014 10.29952 17.97670 7.817803 5.703444 
12.93052 
1 1 1 6   -6  24 o 82.13519 4.064940  1346.516       125.8786 1669.586       
248.7505 1235.306       145.9448 88.02150 6.731258 76.24889 4.559069 11.77261 
8.129880 
1 1 1 6   -6  25 o 51.39507 4.547228  568.7756       96.19300 582.6238       
152.4632 559.6176       123.9851 51.77130 7.014506 51.01883 5.788422 0.7524719 
9.094456 
1 1 1 6   -6  26 f 107.5295 3.910650  2523.120       173.2199 2328.509       
265.7798 2666.827       228.3895 103.5586 6.113034 111.5004 4.878888 -7.941788 
7.821300 
1 1 1 6   -6  27 o 19.69191 6.039620  12.53505       86.73857 -107.6364      
179.9716 48.89440       98.99461 19.82897 9.166524 19.55484 7.866567 0.2741337 
12.07924 
1 1 1 6   -6  28 o 82.11728 4.334988  1441.570       131.4011 1603.532       
261.3202 1386.760       152.0174 84.13174 7.398338 80.10281 4.520294 4.028938 
8.669975 
1 1 1 6   -6  29 o 28.60443 6.836480  178.5353       90.18475 265.9318       
169.6371 144.1020       106.4787 32.23040 10.71710 24.97846 8.490792 7.251942 
13.67296 
1 1 1 6   -6  30 o 62.09090 5.958148  993.1359       109.4682 820.6401       
249.5898 1034.221       121.8092 55.26556 11.14783 68.91624 4.209974 -13.65067 
11.91630 
1 1 1 6   -6  31 o 30.44625 6.952720  249.3366       94.18330 216.9585       
205.9548 257.8980       105.9058 28.83111 11.43852 32.06138 7.907055 -3.230270 
13.90544 
1 1 1 6   -6  32 o 48.28025 6.781982  624.6102       108.3818 636.6650       
239.4099 621.5027       121.5505 44.54644 12.36927 52.01405 5.566177 -7.467609 
13.56396 
1 1 1 6   -6  33 o 31.64507 6.794016  332.6299       106.2082 203.1343       
201.6253 382.3611       124.9488 25.74828 10.86816 37.54185 8.155841 -11.79357 
13.58803 
1 1 1 6   -5  0  o 221.3400 3.592069  10360.97       291.1747 10427.87       
338.0456 10168.63       573.1604 222.8059 3.613846 219.8741 6.209023 2.931839 
7.184138 
1 1 1 6   -5  1  o 160.1359 3.051728  5413.855       194.9218 5305.449       
330.6158 5471.613       241.3246 158.8767 4.956606 161.3952 3.561494 -2.518448 
6.103457 
1 1 1 6   -5  2  o 158.3757 3.652527  5257.686       242.1552 5459.432       
358.9123 5089.114       328.0793 161.1505 5.304907 155.6008 5.022130 5.549652 
7.305055 
1 1 1 6   -5  3  o 230.2845 4.813237  11167.20       462.5960 11083.34       
691.5395 11235.11       622.3380 229.4703 7.178135 231.0987 6.414310 -1.628418 
9.626474 
1 1 1 6   -5  4  o 244.8722 4.592854  12574.52       422.3379 12524.53       
496.0753 12706.17       805.0903 244.1116 4.840390 245.6328 7.806911 -1.521271 
9.185708 
1 1 1 6   -5  5  o 405.6386 7.673197  34558.09       1233.216 35360.13       
2142.467 34160.68       1508.102 408.7284 12.48534 402.5489 8.923455 6.179443 
15.34639 
1 1 1 6   -5  6  o 478.0997 10.01979  48498.11       2001.696 48434.79       
2702.384 48575.09       2979.516 478.0033 13.46596 478.1961 14.84092 
-0.1927490     20.03958 
1 1 1 6   -5  7  o 345.0047 7.578140  25093.80       1092.360 25654.60       
1634.623 24641.27       1468.376 348.3850 11.17582 341.6243 10.23787 6.760742 
15.15628 
1 1 1 6   -5  8  o 294.9273 5.378546  18261.64       533.6444 18416.79       
1192.268 18222.77       596.7574 295.4173 9.613006 294.4374 4.827541 0.9798889 
10.75709 
1 1 1 6   -5  9  f 113.6294 2.977536  2708.231       141.2311 2759.149       
212.2551 2667.778       189.1907 114.5801 4.412352 112.6787 3.999255 1.901421 
5.955072 
1 1 1 6   -5  10 o 360.3406 6.248363  27753.30       803.7802 26701.82       
1633.670 28089.13       923.2590 355.3008 10.95189 365.3803 6.018656 -10.07944 
12.49673 
1 1 1 6   -5  11 o 232.1060 5.018901  11369.97       487.7759 11700.61       
671.9393 11001.64       709.2071 235.7143 6.789928 228.4977 7.392857 7.216599 
10.03780 
1 1 1 6   -5  12 o 139.6366 3.542490  4097.828       207.1368 4056.763       
282.2753 4145.739       304.9028 138.8883 4.840924 140.3848 5.173237 -1.496521 
7.084979 
1 1 1 6   -5  13 o 195.9041 4.354803  8069.411       357.6766 7819.251       
490.4880 8353.520       522.7105 192.6777 6.063425 199.1305 6.252368 -6.452774 
8.709605 
1 1 1 6   -5  14 o 145.2374 5.166342  4151.253       258.1236 3945.370       
287.9180 4994.424       582.6614 136.9077 5.009129 153.5671 9.037311 -16.65942 
10.33268 
1 1 1 6   -5  15 o 177.8513 8.812731  6708.329       658.0311 6708.329       
658.0311 0.000000       0.000000 177.8513 8.812731 ?        ?        ? ? 
1 1 1 6   -5  16 o 50.94795 7.924653  550.4721       169.5063 0.000000       
0.000000 550.4721       169.5063 ?        ?        50.94795 7.924653 ? ? 
1 1 1 6   -5  17 o 86.70467 6.229999  1590.410       226.7824 1590.410       
226.7824 0.000000       0.000000 86.70467 6.229999 ?        ?        ? ? 
1 1 1 6   -5  18 o 182.9324 6.485259  7394.053       460.3464 6536.787       
797.6808 7822.143       563.6877 173.9651 10.92164 191.8998 6.996571 -17.93463 
12.97052 
1 1 1 6   -5  19 o 63.17742 4.088508  872.8207       100.2632 770.2588       
173.8745 923.9128       122.7215 60.18813 6.880913 66.16671 4.417761 -5.978580 
8.177015 
1 1 1 6   -5  20 f 80.11562 3.968676  1350.443       126.6384 1385.372       
217.7554 1332.593       155.6708 80.78930 6.420015 79.44195 4.667435 1.347351 
7.937351 
1 1 1 6   -5  21 o 82.58424 4.264194  1458.065       132.3892 1418.518       
249.1809 1473.619       156.2695 81.61131 7.272530 83.55716 4.454629 -1.945847 
8.528389 
1 1 1 6   -5  22 o 166.3782 6.295609  5896.897       392.7539 6087.335       
751.8455 5825.424       460.5956 167.3080 10.70368 165.4484 6.630989 1.859558 
12.59122 
1 1 1 6   -5  23 o 58.75165 5.065385  783.0652       112.0944 633.3718       
198.8288 852.8122       135.7191 54.09723 8.754380 63.40607 5.098367 -9.308842 
10.13077 
1 1 1 6   -5  24 o 34.96100 6.326548  280.5231       92.67124 248.6770       
145.5368 302.2409       120.1858 33.26131 9.779670 36.66070 8.028628 -3.399391 
12.65310 
1 1 1 6   -5  25 o 74.20367 3.801842  1152.564       114.2131 1267.429       
192.1493 1089.809       142.0259 76.85383 5.955174 71.55353 4.727782 5.300301 
7.603685 
1 1 1 6   -5  26 f 137.1711 4.616027  4049.665       241.7489 4158.400       
448.2066 4005.053       287.0891 137.5448 7.761672 136.7975 4.998728 0.7472229 
9.232055 
1 1 1 6   -5  27 o 54.54234 5.444359  732.9234       102.7687 529.5722       
188.2352 819.2755       122.6631 47.29905 9.808312 61.78564 4.728763 -14.48660 
10.88872 
1 1 1 6   -5  28 o 33.15009 6.061732  284.9903       91.48866 116.8536       
164.2310 360.6467       110.1658 25.91385 10.23540 40.38634 6.497306 -14.47248 
12.12346 
1 1 1 6   -5  29 o 22.31244 6.228052  81.06241       90.68111 -128.8512      
192.2522 141.1272       102.8398 19.74131 9.247960 24.88356 8.344444 -5.142254 
12.45610 
1 1 1 6   -5  30 o 72.36043 4.346928  1144.469       113.1724 1243.920       
231.7580 1113.329       129.6861 73.14330 7.547120 71.57755 4.315566 1.565742 
8.693856 
1 1 1 6   -5  31 o 21.30251 6.538740  45.42003       90.55860 43.19946       
205.9637 45.95219       100.8275 23.71936 10.48849 18.88566 7.811018 4.833696 
13.07748 
1 1 1 6   -5  32 o 62.81964 4.998812  899.3392       103.4753 1002.594       
236.7732 874.9631       115.0428 62.65290 9.001449 62.98638 4.350449 
-0.3334770     9.997623 
1 1 1 6   -5  33 o 20.17355 5.838833  42.18501       97.41631 -315.9923      
194.8368 161.5706       112.4858 15.69903 7.790103 24.64806 8.699550 -8.949029 
11.67767 
1 1 1 6   -5  34 o 43.07405 6.172562  503.5056       103.1717 571.3502       
182.1937 471.4808       125.1755 42.93977 10.23655 43.20834 6.900375 
-0.2685699     12.34512 
1 1 1 6   -4  0  o 194.4267 3.958853  7909.229       321.0960 8278.401       
486.5793 7624.450       427.3592 198.4121 5.841260 190.4413 5.345066 7.970840 
7.917705 
1 1 1 6   -4  1  o 391.6366 6.593072  32432.48       1078.045 31387.47       
1596.436 33308.46       1461.639 385.7181 9.858311 397.5551 8.757174 -11.83691 
13.18614 
1 1 1 6   -4  2  o 42.03068 2.670738  370.4273       46.96776 415.0313       
67.95862 329.6401       64.98593 44.44955 3.641650 39.61180 3.907652 4.837757 
5.341475 
1 1 1 6   -4  3  o 164.8177 3.155828  5699.927       194.5499 5689.929       
228.0737 5726.638       372.7799 164.5912 3.300577 165.0442 5.379889 
-0.4530334     6.311657 
1 1 1 6   -4  4  o 258.8813 4.452956  14315.21       456.2243 14781.04       
563.6104 13429.89       776.9956 265.1786 5.062459 252.5840 7.327127 12.59460 
8.905912 
1 1 1 6   -4  5  o 306.6469 5.840462  19806.07       751.8274 20203.24       
1070.871 19420.02       1055.779 309.6809 8.236518 303.6128 8.282740 6.068115 
11.68092 
1 1 1 6   -4  6  o 363.2116 5.435558  27778.84       776.7450 27777.16       
945.9268 27782.31       1361.000 363.3932 6.200144 363.0301 8.929691 0.3631592 
10.87112 
1 1 1 6   -4  7  o 226.9370 5.296240  10826.07       503.7549 10560.39       
689.3475 11130.55       737.9694 223.9682 7.331163 229.9057 7.645567 -5.937469 
10.59248 
1 1 1 6   -4  8  o 302.9453 5.812679  19239.72       664.7682 19560.90       
1258.001 19115.29       783.0240 304.4464 9.842175 301.4443 6.187127 3.002075 
11.62536 
1 1 1 6   -4  9  o 197.9668 4.145292  8254.217       341.5710 8330.879       
455.3901 8155.613       516.4619 199.0455 5.449446 196.8880 6.247985 2.157425 
8.290584 
1 1 1 6   -4  10 o 220.0150 5.110525  10193.76       471.7156 10182.73       
680.0053 10203.98       654.9152 219.8870 7.366036 220.1431 7.085999 
-0.2560883     10.22105 
1 1 1 6   -4  11 o 222.8813 4.140393  10565.10       349.8820 10182.78       
648.6974 10721.95       415.4999 219.8993 7.026507 225.8634 4.381735 -5.964157 
8.280786 
1 1 1 6   -4  12 o 90.10692 2.807259  1707.724       106.0684 1740.928       
147.2813 1671.946       152.8821 91.02051 3.854158 89.19332 4.082679 1.827187 
5.614517 
1 1 1 6   -4  13 o 136.1424 2.912701  3908.087       164.9245 3803.940       
249.1515 3989.312       220.0305 134.5093 4.411966 137.7754 3.803926 -3.266098 
5.825401 
1 1 1 6   -4  14 o 105.2677 4.192119  2294.144       169.8880 2236.648       
201.9615 2433.284       314.1771 103.1167 4.665098 107.4187 6.966514 -4.302048 
8.384238 
1 1 1 6   -4  15 o 153.4834 4.909165  4890.793       309.7158 4598.549       
394.4711 5360.490       500.0932 147.6701 6.362734 159.2968 7.477649 -11.62668 
9.818331 
1 1 1 6   -4  16 o 158.6095 6.836063  5315.299       455.2126 0.000000       
0.000000 5315.299       455.2126 ?        ?        158.6095 6.836063 ? ? 
1 1 1 6   -4  17 o 142.4080 5.044021  4210.287       283.1177 4538.771       
502.8474 4057.827       342.5762 146.1965 8.192569 138.6194 5.886460 7.577118 
10.08804 
1 1 1 6   -4  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -4  19 o 89.59225 3.836878  1735.581       135.8773 1579.354       
229.7713 1819.595       168.4969 86.30092 6.341638 92.88358 4.320899 -6.582657 
7.673757 
1 1 1 6   -4  20 o 90.19390 3.916479  1700.759       140.7055 1789.352       
243.3344 1656.257       172.4612 91.82377 6.312035 88.56403 4.638260 3.259735 
7.832958 
1 1 1 6   -4  21 o 224.1101 8.153486  11023.53       712.3965 10623.61       
1252.081 11214.96       866.2849 219.5746 13.58224 228.6457 9.024411 -9.071091 
16.30697 
1 1 1 6   -4  22 o 108.4523 4.543800  2436.550       185.7836 2638.851       
357.2684 2361.570       217.5046 111.1988 7.652716 105.7059 4.901062 5.492882 
9.087600 
1 1 1 6   -4  23 o 78.18354 4.214394  1300.069       128.4652 1295.134       
228.4870 1302.350       155.3441 77.89919 6.986338 78.46790 4.715456 
-0.5687103     8.428787 
1 1 1 6   -4  24 o 120.1035 4.173844  3090.141       201.2787 3020.631       
335.8323 3129.107       251.4435 118.7683 6.735082 121.4386 4.931793 -2.670250 
8.347689 
1 1 1 6   -4  25 o 41.17716 6.116154  398.3668       97.60905 317.5660       
171.2752 437.2321       118.7867 37.20513 10.50513 45.14919 6.266701 -7.944061 
12.23231 
1 1 1 6   -4  26 o 43.63071 5.585215  469.1689       87.11103 325.9763       
160.4799 528.9852       103.7219 37.47715 10.00761 49.78428 4.962486 -12.30712 
11.17043 
1 1 1 6   -4  27 o 98.25671 4.030593  2109.418       145.7576 2026.521       
281.7557 2139.709       170.3189 96.25778 6.972008 100.2556 4.046459 -3.997856 
8.061186 
1 1 1 6   -4  28 o 33.21924 6.857672  264.2277       94.27943 232.3369       
192.1426 274.3405       108.2001 32.00224 11.36241 34.43624 7.681552 -2.434010 
13.71534 
1 1 1 6   -4  29 o 57.16049 4.615622  633.3685       95.23394 924.4276       
206.8189 555.0478       107.2847 63.78480 7.723142 50.53619 5.056573 13.24861 
9.231243 
1 1 1 6   -4  30 o 45.69899 6.259504  672.7662       95.19012 234.4679       
211.3436 784.3093       106.6168 31.17299 11.78750 60.22499 4.216675 -29.05199 
12.51901 
1 1 1 6   -4  31 o 28.62032 7.092237  166.4720       84.56837 294.2080       
206.3624 140.6902       92.71088 32.89000 11.76552 24.35063 7.922865 8.539370 
14.18447 
1 1 1 6   -4  32 o 59.98473 5.133699  836.8409       100.3650 869.7695       
228.7003 828.9866       111.6952 58.50928 9.310287 61.46018 4.328744 -2.950901 
10.26740 
1 1 1 6   -4  33 o 15.50059 5.291013  -102.0732      86.62672 -220.8813      
192.6889 -71.97829      96.97966 17.12498 8.340619 13.87620 6.512552 3.248778 
10.58203 
1 1 1 6   -4  34 o 64.87451 4.989059  1040.908       129.1646 1094.903       
219.1300 1012.159       159.8947 64.48888 8.093532 65.26015 5.835889 
-0.7712708     9.978119 
1 1 1 6   -3  0  o 56.08785 2.320288  654.0593       54.33894 596.9121       
72.39570 727.7957       82.23492 53.31070 3.234591 58.86500 3.327516 -5.554298 
4.640576 
1 1 1 6   -3  1  o 348.6784 6.065308  25523.20       798.8426 25402.27       
941.7052 25833.56       1508.599 347.4949 6.454871 349.8619 10.27066 -2.366943 
12.13062 
1 1 1 6   -3  2  o 123.8343 2.393367  3142.676       118.3800 3471.124       
205.7742 2980.200       144.7279 128.5430 3.812971 119.1255 2.893799 9.417503 
4.786734 
1 1 1 6   -3  3  o 115.3283 2.857026  2784.263       137.5755 2703.152       
183.9885 2887.124       207.1945 113.4342 3.863383 117.2223 4.210065 -3.788124 
5.714051 
1 1 1 6   -3  4  o 312.2676 5.371653  20643.57       598.8817 20314.20       
1224.612 20747.11       686.5842 310.3754 9.397933 314.1598 5.205522 -3.784454 
10.74331 
1 1 1 6   -3  5  o 359.2973 6.821817  27375.49       1021.517 25811.96       
1513.004 28685.25       1384.783 349.6972 10.30550 368.8974 8.941227 -19.20020 
13.64363 
1 1 1 6   -3  6  o 391.1171 6.877761  32200.83       924.9996 32392.65       
2004.355 32148.92       1042.673 391.3029 12.20064 390.9312 6.352851 0.3716736 
13.75552 
1 1 1 6   -3  7  o 114.7053 2.619065  2743.341       122.0305 2684.677       
153.4124 2844.404       201.3603 113.0580 3.232065 116.3525 4.122107 -3.294479 
5.238130 
1 1 1 6   -3  8  o 587.4888 9.104121  73493.09       1692.448 73703.32       
1861.551 72491.13       4064.026 591.6461 7.494350 583.3315 16.59442 8.314575 
18.20824 
1 1 1 6   -3  9  o 170.6525 3.984704  6119.795       283.4643 6088.836       
378.5371 6159.321       427.7097 170.1789 5.298146 171.1262 5.953245 
-0.9473114     7.969409 
1 1 1 6   -3  10 o 313.4064 6.853154  20743.04       899.7383 20934.08       
1235.309 20527.18       1313.094 315.0042 9.340720 311.8087 10.03064 3.195587 
13.70631 
1 1 1 6   -3  11 f 314.1574 6.767830  20747.69       887.9985 21636.21       
1336.415 20045.28       1188.242 320.0860 9.944795 308.2288 9.182328 11.85715 
13.53566 
1 1 1 6   -3  12 o 161.6750 3.198626  5588.340       209.4658 5888.450       
267.6089 5113.637       336.5671 167.4062 3.807588 155.9437 5.140729 11.46249 
6.397251 
1 1 1 6   -3  13 o 252.5974 5.440632  13478.66       573.6946 13728.07       
775.3056 13176.83       852.8852 255.2476 7.234898 249.9473 8.127618 5.300293 
10.88126 
1 1 1 6   -3  14 o 214.6991 5.426428  9039.192       366.6535 8716.009       
399.0616 10790.01       928.8290 203.5822 4.668970 225.8160 9.797204 -22.23375 
10.85286 
1 1 1 6   -3  15 o 141.2565 4.092899  4162.087       230.0370 4078.730       
281.9437 4328.067       397.8522 139.2324 4.823288 143.2807 6.613863 -4.048279 
8.185799 
1 1 1 6   -3  16 o 287.6686 15.09962  17847.85       1823.633 0.000000       
0.000000 17847.85       1823.633 ?        ?        287.6686 15.09962 ? ? 
1 1 1 6   -3  17 o 167.9008 5.207506  6041.092       313.9491 5818.207       
632.4958 6113.960       361.6451 165.4640 9.104900 170.3377 5.057000 -4.873672 
10.41501 
1 1 1 6   -3  18 o 22.13793 6.049414  60.31483       84.76125 -63.90623      
147.5921 121.4468       103.5380 19.51204 8.733795 24.76381 8.372722 -5.251762 
12.09883 
1 1 1 6   -3  19 o 97.35295 4.483858  1998.607       183.2651 0.000000       
0.000000 1998.607       183.2651 ?        ?        97.35295 4.483858 ? ? 
1 1 1 6   -3  20 o 39.82591 5.369416  338.1007       82.13255 362.7672       
146.8133 326.8643       99.08929 40.37926 8.899723 39.27256 6.009779 1.106693 
10.73883 
1 1 1 6   -3  21 f 121.0589 4.520831  3096.667       198.5575 3138.885       
398.9207 3082.763       228.9301 121.2693 7.835318 120.8484 4.512144 0.4209213 
9.041661 
1 1 1 6   -3  22 f 133.2695 4.735247  3784.611       223.6082 3752.748       
462.2681 3794.344       255.4872 132.4689 8.311917 134.0702 4.538976 -1.601349 
9.470494 
1 1 1 6   -3  23 o 137.6693 5.098358  4017.760       253.0702 4085.077       
513.0980 3996.120       290.9172 137.8876 8.863314 137.4510 5.041298 0.4365845 
10.19672 
1 1 1 6   -3  24 o 77.65187 3.689308  1261.502       115.1752 1338.793       
195.5928 1220.476       142.5011 79.34172 5.871816 75.96201 4.468304 3.379707 
7.378615 
1 1 1 6   -3  25 o 63.46139 4.097179  872.5601       102.6801 818.5169       
175.2816 900.7949       126.6944 61.75681 6.760404 65.16598 4.630816 -3.409172 
8.194359 
1 1 1 6   -3  26 o 93.54727 3.642578  1802.472       129.0872 2016.282       
247.9364 1722.961       151.1962 96.92932 6.092650 90.16522 3.994136 6.764099 
7.285157 
1 1 1 6   -3  27 o 63.63902 4.226168  817.9045       100.8694 998.5942       
200.3286 756.5345       116.7492 67.72791 7.045248 59.55013 4.669737 8.177780 
8.452335 
1 1 1 6   -3  28 o 70.06490 4.077025  1026.124       104.3033 1140.950       
211.5209 989.2320       119.8935 72.05430 6.992211 68.07551 4.194942 3.978790 
8.154051 
1 1 1 6   -3  29 o 23.81459 6.472189  66.74929       78.83456 197.6314       
168.9754 30.33493       89.12918 29.75581 10.64631 17.87337 7.362955 11.88244 
12.94438 
1 1 1 6   -3  30 o 89.40164 4.316881  1687.147       127.6392 1917.960       
296.8094 1634.777       141.3798 91.53520 7.723435 87.26807 3.858806 4.267128 
8.633761 
1 1 1 6   -3  31 o 40.87666 5.964226  384.1808       85.06413 439.2739       
181.9714 368.7756       96.22478 41.01017 10.51869 40.74316 5.625398 0.2670097 
11.92845 
1 1 1 6   -3  32 o 54.97501 6.345433  841.0233       107.7230 585.8489       
228.6173 913.8464       122.1309 45.39860 11.86379 64.55141 4.506514 -19.15282 
12.69087 
1 1 1 6   -3  33 o 25.26979 6.838551  146.3137       89.75783 159.1861       
195.2122 142.8627       101.0759 26.41695 10.89201 24.12264 8.272079 2.294304 
13.67710 
1 1 1 6   -3  34 f 21.51316 6.213118  76.09287       100.3952 -98.31972      
169.2786 170.7276       124.6920 17.76613 8.424250 25.26020 9.134732 -7.494068 
12.42624 
1 1 1 6   -3  35 o 47.97964 6.529229  729.8839       111.4851 499.0176       
210.5184 819.8654       131.4275 36.87108 11.93546 59.08821 5.297932 -22.21714 
13.05846 
1 1 1 6   -2  0  o 136.2121 2.420999  3796.630       118.2550 4091.014       
245.7596 3707.933       134.8987 139.5391 4.195037 132.8852 2.417977 6.653870 
4.841999 
1 1 1 6   -2  1  f 69.35188 2.286585  1009.261       66.41759 1109.146       
95.53696 915.8298       92.39895 72.67099 3.131348 66.03278 3.332948 6.638206 
4.573170 
1 1 1 6   -2  2  f 247.0751 4.551755  12831.12       471.8831 13144.46       
681.6301 12542.73       653.9192 249.9646 6.495182 244.1855 6.378598 5.779099 
9.103510 
1 1 1 6   -2  3  o 373.9593 6.232067  29691.89       813.8267 29870.71       
924.5577 29076.66       1714.977 376.8936 5.843007 371.0249 11.00972 5.868652 
12.46413 
1 1 1 6   -2  4  o 169.9451 3.957633  6072.226       282.3087 6061.625       
394.8881 6083.309       403.7489 169.7962 5.539456 170.0941 5.653836 
-0.2978516     7.915266 
1 1 1 6   -2  5  o 254.5094 5.719639  13602.72       609.2649 14135.85       
904.3051 13159.57       824.4784 259.0381 8.315194 249.9806 7.855865 9.057495 
11.43928 
1 1 1 6   -2  6  o 83.35487 2.580805  1460.748       90.20421 1377.285       
127.5948 1544.142       127.5412 80.97086 3.753405 85.73888 3.543185 -4.768021 
5.161609 
1 1 1 6   -2  7  o 147.4024 2.446163  4561.374       151.2871 4497.729       
209.7179 4630.431       218.4538 146.3322 3.413632 148.4727 3.504565 -2.140549 
4.892326 
1 1 1 6   -2  8  o 383.5274 6.985632  31156.27       1042.461 31357.90       
1259.443 30717.58       1857.732 385.8816 7.774021 381.1732 11.60865 4.708344 
13.97126 
1 1 1 6   -2  9  o 125.4546 2.629447  3297.478       137.7942 3222.482       
184.8495 3391.271       206.7204 123.8575 3.554815 127.0517 3.875468 -3.194153 
5.258893 
1 1 1 6   -2  10 o 262.4514 4.191747  14771.29       424.5431 13755.38       
756.6004 15238.14       512.8973 255.6298 7.049789 269.2729 4.536896 -13.64314 
8.383493 
1 1 1 6   -2  11 o 330.2350 4.131059  22950.20       570.7735 23088.88       
776.9136 22787.58       841.3191 331.3475 5.584831 329.1224 6.088697 2.225159 
8.262117 
1 1 1 6   -2  12 o 209.4453 3.910653  9222.388       301.7289 9218.582       
350.7951 9233.208       591.5353 209.4569 3.989146 209.4337 6.727521 
0.2313232E-01  7.821306 
1 1 1 6   -2  13 o 80.50208 3.248568  1356.087       109.3381 1427.645       
163.7352 1298.496       146.8880 82.40657 4.732618 78.59760 4.451415 3.808975 
6.497135 
1 1 1 6   -2  14 o 172.6238 3.539910  6278.935       255.4076 6132.745       
377.0332 6402.912       347.2091 170.7465 5.259552 174.5010 4.739300 -3.754486 
7.079821 
1 1 1 6   -2  15 o 158.6810 5.179817  5200.908       335.5053 4871.887       
421.6653 5768.613       553.8824 152.0522 6.605356 165.3098 7.980683 -13.25760 
10.35963 
1 1 1 6   -2  16 o 215.8993 11.86905  9930.231       1075.836 0.000000       
0.000000 9930.231       1075.836 ?        ?        215.8993 11.86905 ? ? 
1 1 1 6   -2  17 o 115.2367 4.160574  2867.658       180.3114 2645.952       
334.7101 2958.305       214.0215 111.9028 7.124408 118.5705 4.299338 -6.667709 
8.321148 
1 1 1 6   -2  18 o 42.88981 5.265029  381.5092       84.60916 434.0284       
158.5795 360.6090       100.0378 44.44346 8.812135 41.33616 5.764410 3.107300 
10.53006 
1 1 1 6   -2  19 o 101.0308 3.727371  2179.287       153.6712 2043.492       
243.9979 2268.562       197.8379 98.32020 5.911047 103.7415 4.542325 -5.421280 
7.454743 
1 1 1 6   -2  20 o 188.2078 6.462346  7422.089       465.0251 7992.791       
871.5024 7194.920       549.8420 192.4153 10.78823 184.0004 7.117710 8.414886 
12.92469 
1 1 1 6   -2  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   -2  22 o 160.7152 5.011249  5388.389       322.8893 5854.053       
554.3763 5149.320       397.2184 165.5816 7.974688 155.8488 6.070816 9.732834 
10.02250 
1 1 1 6   -2  23 o 189.6877 5.421276  7572.447       382.9255 7905.965       
744.1409 7452.323       446.5927 191.7971 9.241325 187.5783 5.670876 4.218765 
10.84255 
1 1 1 6   -2  24 o 47.98923 5.144533  517.0646       90.68272 455.8307       
163.6351 544.2056       108.9414 45.27927 8.925773 50.69919 5.118149 -5.419922 
10.28907 
1 1 1 6   -2  25 o 63.71825 4.225389  903.5133       105.0527 750.9897       
176.8078 986.7403       130.6065 59.17709 7.116541 68.25940 4.557467 -9.082306 
8.450779 
1 1 1 6   -2  26 o 45.73566 5.863394  477.8457       93.51807 434.8813       
188.2762 491.9176       107.7498 43.43204 10.43914 48.03928 5.342460 -4.607239 
11.72679 
1 1 1 6   -2  27 o 36.48395 6.406787  320.7108       86.41759 234.3989       
193.9982 342.0775       96.52319 33.03485 11.44731 39.93305 5.757318 -6.898205 
12.81357 
1 1 1 6   -2  28 o 54.19810 5.798063  759.6940       96.71719 500.6268       
205.0479 833.8250       109.6854 45.82603 10.81831 62.57018 4.175442 -16.74415 
11.59613 
1 1 1 6   -2  29 o 71.59361 3.944502  1038.180       99.37957 1253.513       
216.5265 980.7128       111.8571 75.39782 6.840271 67.78939 3.930276 7.608429 
7.889003 
1 1 1 6   -2  30 o 27.01225 6.802112  157.0734       84.70596 132.1510       
197.1070 162.7186       93.81027 27.56798 11.09602 26.45652 7.871045 1.111454 
13.60422 
1 1 1 6   -2  31 o 20.97755 6.281965  46.49356       87.44469 4.520795       
175.1900 60.42057       100.9148 21.98794 9.704423 19.96716 7.979756 2.020786 
12.56393 
1 1 1 6   -2  32 o 62.31007 4.952752  928.3961       105.0851 826.2896       
218.1796 959.2375       119.9101 58.24690 8.922005 66.37325 4.303122 -8.126343 
9.905504 
1 1 1 6   -2  33 o 29.94481 6.990765  216.1015       87.87881 280.5839       
198.4618 200.3747       98.01112 31.57879 11.51398 28.31083 7.931672 3.267958 
13.98153 
1 1 1 6   -2  34 o 54.09504 5.170928  699.3719       111.9081 742.4138       
189.9781 676.5010       138.4845 54.26371 8.339025 53.92636 6.116754 0.3373413 
10.34186 
1 1 1 6   -2  35 o 26.36010 7.198709  177.0089       102.0183 319.6484       
198.3870 125.7283       118.9514 30.38256 11.43900 22.33764 8.742706 8.044920 
14.39742 
1 1 1 6   -1  0  o 139.2856 2.897368  4034.192       167.2747 3830.341       
217.5061 4329.302       261.7022 135.0303 3.836732 143.5409 4.342631 -8.510590 
5.794735 
1 1 1 6   -1  1  o 135.2674 2.595505  3897.808       144.5256 4173.847       
190.8672 3526.843       221.2655 140.9706 3.224957 129.5643 4.067706 11.40634 
5.191009 
1 1 1 6   -1  2  o 153.4720 3.517024  4918.569       225.4937 5262.281       
339.9084 4648.406       301.3539 158.2240 5.116944 148.7200 4.826458 9.503998 
7.034047 
1 1 1 6   -1  3  o 191.3122 4.149186  7652.347       331.1698 7326.998       
440.4918 8075.324       502.2518 186.6759 5.620445 195.9486 6.105207 -9.272736 
8.298371 
1 1 1 6   -1  4  o 39.56154 2.657762  315.7535       43.04368 437.3156       
68.30898 235.6978       55.43381 45.62803 3.565884 33.49505 3.941987 12.13298 
5.315523 
1 1 1 6   -1  5  o 192.3483 3.456313  7726.038       231.6720 7686.758       
262.1982 7865.879       494.7209 191.3059 3.264544 193.3907 6.093205 -2.084793 
6.912626 
1 1 1 6   -1  6  o 87.46332 2.596936  1613.162       94.76228 1670.516       
128.4267 1544.615       140.4006 89.18034 3.430103 85.74629 3.900090 3.434044 
5.193872 
1 1 1 6   -1  7  o 195.3924 3.553441  8148.360       253.6264 7773.370       
497.5263 8280.023       294.8090 192.2438 6.164313 198.5411 3.536807 -6.297272 
7.106881 
1 1 1 6   -1  8  o 186.3586 3.842603  7236.928       271.7568 7152.046       
320.7519 7452.866       511.5944 184.4996 4.140901 188.2177 6.474205 -3.718048 
7.685206 
1 1 1 6   -1  9  o 316.9001 4.677867  21137.22       606.0468 21161.03       
773.8782 21099.47       974.5731 317.2151 5.810852 316.5852 7.332378 0.6299133 
9.355734 
1 1 1 6   -1  10 o 318.1127 5.440837  21517.18       568.5011 21644.25       
632.1851 20980.10       1299.707 320.9124 4.692226 315.3130 9.818038 5.599335 
10.88167 
1 1 1 6   -1  11 o 304.7729 6.917574  19601.64       885.0809 19431.17       
1243.373 19776.75       1260.183 303.4335 9.760209 306.1123 9.805593 -2.678864 
13.83515 
1 1 1 6   -1  12 o 159.3794 3.705483  5346.937       246.5910 5281.795       
367.2891 5400.397       332.7310 158.4804 5.520184 160.2783 4.944695 -1.797913 
7.410967 
1 1 1 6   -1  13 o 279.7793 6.116962  16506.97       716.5386 16480.71       
977.5209 16537.46       1053.406 279.5869 8.327800 279.9716 8.961956 
-0.3846741     12.23392 
1 1 1 6   -1  14 o 277.4460 5.978669  16195.63       691.8828 16607.36       
1045.193 15874.48       923.0844 280.5067 8.875123 274.3853 8.013121 6.121490 
11.95734 
1 1 1 6   -1  15 o 49.97874 5.557263  554.9370       108.4730 621.2852       
140.1870 455.9413       171.2383 54.32119 6.146946 45.63630 9.260008 8.684887 
11.11453 
1 1 1 6   -1  16 o 154.1240 7.778543  5014.878       503.3239 0.000000       
0.000000 5014.878       503.3239 ?        ?        154.1240 7.778543 ? ? 
1 1 1 6   -1  17 f 200.8059 5.166837  8500.736       430.4073 8616.215       
663.7056 8416.929       565.4162 201.8901 7.830354 199.7216 6.743172 2.168518 
10.33367 
1 1 1 6   -1  18 o 82.01995 3.907285  1387.372       122.2918 1492.504       
230.3447 1346.108       144.3091 84.06641 6.526445 79.97349 4.298024 4.092926 
7.814570 
1 1 1 6   -1  19 o 101.1241 3.559256  2184.554       136.6864 2089.429       
252.1291 2224.148       162.6647 99.44462 6.038967 102.8035 3.768829 -3.358879 
7.118511 
1 1 1 6   -1  20 o 103.2815 3.294595  2240.598       132.7606 2275.185       
237.1672 2224.815       160.2144 103.7698 5.443830 102.7932 3.712431 0.9766541 
6.589190 
1 1 1 6   -1  21 o 139.6006 4.750627  4145.523       229.7150 4127.179       
490.7787 4150.669       259.9482 138.9411 8.413484 140.2601 4.414421 -1.318924 
9.501254 
1 1 1 6   -1  22 o 61.03893 4.502713  786.4565       115.3879 0.000000       
0.000000 786.4565       115.3879 ?        ?        61.03893 4.502713 ? ? 
1 1 1 6   -1  23 o 209.7828 4.895510  9354.505       431.0455 9499.029       
618.5731 9218.079       600.9881 211.3385 6.971615 208.2270 6.874638 3.111465 
9.791019 
1 1 1 6   -1  24 o 25.65199 6.434253  123.9009       83.97963 112.5198       
145.0094 129.6445       103.0130 26.11847 9.790375 25.18549 8.351468 0.9329815 
12.86851 
1 1 1 6   -1  25 o 110.3342 3.914148  2538.688       168.8535 2711.047       
303.8311 2461.664       203.1074 112.7814 6.416762 107.8869 4.484127 4.894440 
7.828297 
1 1 1 6   -1  26 o 164.3861 5.188534  5781.793       290.9666 5884.082       
636.2065 5754.739       327.1902 164.0856 9.235249 164.6865 4.732203 
-0.6009064     10.37707 
1 1 1 6   -1  27 o 130.1843 4.150471  3442.448       176.9478 3941.220       
420.6065 3335.188       195.0480 134.8301 7.430368 125.5386 3.700713 9.291512 
8.300942 
1 1 1 6   -1  28 o 79.97798 3.840861  1413.043       112.2520 1285.499       
216.3454 1460.028       131.3101 76.99202 6.693035 82.96395 3.769900 -5.971931 
7.681722 
1 1 1 6   -1  29 o 39.00814 5.866283  276.4801       80.62173 526.0012       
178.6465 212.6646       90.34497 47.49742 9.290050 30.51886 7.165758 16.97855 
11.73257 
1 1 1 6   -1  30 o 80.30939 4.176819  1434.350       116.9100 1365.689       
243.1060 1455.006       133.3410 78.10113 7.414118 82.51765 3.848912 -4.416527 
8.353638 
1 1 1 6   -1  31 o 66.29112 4.226731  905.4644       99.54778 1104.708       
213.8307 850.3331       112.4803 69.79318 7.297568 62.78907 4.266909 7.004112 
8.453462 
1 1 1 6   -1  32 o 39.49390 6.473604  417.0256       90.04529 316.0822       
205.6048 440.9817       100.1619 34.30906 11.79479 44.67874 5.339770 -10.36968 
12.94721 
1 1 1 6   -1  33 o 30.32188 6.667017  210.5409       84.39163 312.4188       
168.2977 176.3194       97.54105 33.88935 10.63777 26.75441 8.039552 7.134941 
13.33403 
1 1 1 6   -1  34 f 53.83899 5.396316  663.6365       110.2256 796.5105       
211.5322 614.1100       129.1444 55.93481 9.007730 51.74316 5.944887 4.191643 
10.79263 
1 1 1 6   -1  35 o 27.10450 7.297925  175.8560       106.2619 327.5122       
199.6236 115.8925       125.5237 31.75552 11.55065 22.45349 8.923080 9.302027 
14.59585 
1 1 1 6   -1  36 f 44.32162 7.210054  631.2031       121.5687 565.3348       
245.3278 652.6418       139.9613 37.27514 12.87716 51.36809 6.489865 -14.09295 
14.42011 
1 1 1 6   0   0  o 127.4238 2.568984  3347.683       132.9081 3652.645       
221.8934 3177.057       165.9755 131.8564 4.008335 122.9911 3.214337 8.865349 
5.137968 
1 1 1 6   0   1  o 107.2121 2.380590  2379.477       104.5168 2567.823       
170.2119 2265.481       132.4211 110.5629 3.666923 103.8613 3.036859 6.701584 
4.761180 
1 1 1 6   0   2  o 164.2874 3.053383  5531.175       178.1457 5413.612       
202.4347 5934.785       375.0871 160.5533 3.003217 168.0215 5.317263 -7.468246 
6.106767 
1 1 1 6   0   3  o 135.9722 2.616165  3917.650       138.5002 3792.523       
245.5079 3976.062       167.7406 134.3475 4.352682 137.5969 2.903693 -3.249374 
5.232329 
1 1 1 6   0   4  o 67.25033 2.340698  946.6845       65.94449 1037.934       
96.19397 865.7779       90.57835 70.29793 3.259315 64.20273 3.360408 6.095200 
4.681397 
1 1 1 6   0   5  o 23.59669 4.087700  121.2636       41.84296 69.84626       
58.64291 174.5898       59.72160 18.82410 6.301220 28.36927 5.208820 -9.545166 
8.175401 
1 1 1 6   0   6  o 85.39227 2.534375  1523.299       90.27261 1462.453       
120.0258 1602.545       136.9765 83.44215 3.426179 87.34238 3.735443 -3.900230 
5.068751 
1 1 1 6   0   7  o 218.9314 4.048397  10173.15       341.4621 9838.911       
616.6270 10320.97       410.0772 216.2382 6.792212 221.6247 4.407259 -5.386505 
8.096794 
1 1 1 6   0   8  o 172.9855 3.463332  6281.804       244.1208 6320.926       
396.8150 6257.980       309.6524 173.3926 5.451031 172.5784 4.273750 0.8141937 
6.926665 
1 1 1 6   0   9  o 343.0262 7.037010  24785.88       996.9230 24590.75       
1295.757 25068.93       1560.625 341.5308 9.036801 344.5217 10.78954 -2.990936 
14.07402 
1 1 1 6   0   10 o 240.2209 2.670255  12098.14       268.4403 11831.58       
363.5935 12417.54       397.9991 237.3242 3.649179 243.1177 3.899300 -5.793472 
5.340510 
1 1 1 6   0   11 o 346.7243 6.742450  25295.83       977.8097 24637.55       
1319.594 26097.39       1456.130 341.7953 9.195919 351.6534 9.862940 -9.858032 
13.48490 
1 1 1 6   0   12 o 260.6671 4.557834  14274.97       494.9108 14122.25       
658.3611 14473.40       750.4682 259.1031 6.052190 262.2309 6.816626 -3.127777 
9.115667 
1 1 1 6   0   13 o 305.2395 5.297894  19707.80       534.6093 19760.00       
595.1890 19489.80       1216.263 306.6109 4.623686 303.8681 9.533742 2.742798 
10.59579 
1 1 1 6   0   14 o 151.6613 3.980189  4770.516       248.4491 4516.152       
317.5839 5171.744       398.8659 146.5488 5.161755 156.7738 6.060024 -10.22510 
7.960377 
1 1 1 6   0   15 o 126.6621 3.855745  3357.749       181.4945 3412.530       
352.2817 3337.954       211.7612 127.2981 6.591576 126.0261 4.002276 1.272034 
7.711490 
1 1 1 6   0   16 o 59.46407 7.540822  745.8785       188.2575 0.000000       
0.000000 745.8785       188.2575 ?        ?        59.46407 7.540822 ? ? 
1 1 1 6   0   17 o 198.4123 6.360579  8321.024       456.5050 8355.899       
919.5373 8309.618       525.8881 198.2711 11.04666 198.5535 6.308656 
-0.2824402     12.72116 
1 1 1 6   0   18 o 328.0164 10.14386  23135.79       1268.729 23265.86       
2347.256 23082.11       1507.997 326.9096 17.10227 329.1231 10.91348 -2.213562 
20.28772 
1 1 1 6   0   19 o 57.31388 4.279727  684.8024       96.02212 717.7444       
171.7457 669.8226       115.8143 58.24662 7.023219 56.38113 4.892712 1.865494 
8.559453 
1 1 1 6   0   20 o 224.9024 5.566220  11101.63       477.7677 9865.432       
854.9665 11662.94       576.1146 214.8858 9.476818 234.9190 5.841332 -20.03322 
11.13244 
1 1 1 6   0   21 o 146.2484 4.702411  4403.278       247.0149 4801.451       
512.6647 4282.893       281.8944 150.0410 8.138503 142.4558 4.713325 7.585159 
9.404821 
1 1 1 6   0   22 o 131.5237 3.420603  3665.130       188.1559 3507.013       
274.7296 3804.818       258.2221 128.8012 5.080501 134.2462 4.581550 -5.444992 
6.841206 
1 1 1 6   0   23 o 67.00475 3.925569  957.6136       103.2708 929.2307       
180.1451 971.5071       126.0368 66.15873 6.485693 67.85078 4.424493 -1.692047 
7.851138 
1 1 1 6   0   24 o 231.4927 11.31784  11650.24       1099.967 11650.24       
1099.967 0.000000       0.000000 231.4927 11.31784 ?        ?        ? ? 
1 1 1 6   0   25 o 161.9861 4.686049  5340.423       278.2179 6102.347       
565.8871 5097.543       319.4993 168.7490 7.987477 155.2231 4.902694 13.52596 
9.372097 
1 1 1 6   0   26 o 158.2200 4.669071  5218.856       254.4515 5591.369       
557.0800 5120.650       286.0323 160.8901 8.247254 155.5499 4.379920 5.340118 
9.338142 
1 1 1 6   0   27 o 55.07619 4.716918  666.8571       95.94176 619.8032       
182.9682 684.7012       112.6745 53.38306 8.163815 56.76934 4.727515 -3.386280 
9.433837 
1 1 1 6   0   28 o 105.1915 4.213561  2377.637       153.8838 2376.421       
327.1999 2377.983       174.3719 104.4882 7.458769 105.8949 3.922134 -1.406754 
8.427121 
1 1 1 6   0   29 o 56.96485 4.525030  632.0618       88.53548 838.9835       
203.4991 583.7509       98.32919 61.63554 7.864158 52.29415 4.478684 9.341393 
9.050060 
1 1 1 6   0   30 o 27.09516 6.212548  180.2901       85.26595 -56.83678      
201.7136 231.8782       94.08490 22.41839 10.11490 31.77193 7.216074 -9.353537 
12.42510 
1 1 1 6   0   31 o 102.6286 3.915735  2360.463       146.5816 2179.842       
283.3023 2426.493       171.2919 98.80553 6.829515 106.4517 3.832705 -7.646187 
7.831469 
1 1 1 6   0   32 o 52.81264 5.220779  664.1713       92.23886 603.2604       
188.9504 683.2280       105.6874 49.51557 9.428553 56.10970 4.486486 -6.594131 
10.44156 
1 1 1 6   0   33 o 96.16003 3.966303  2093.998       136.1053 2000.688       
272.8752 2124.900       157.0336 93.13058 6.978994 99.18948 3.770926 -6.058899 
7.932606 
1 1 1 6   0   34 o 73.16591 4.415369  1231.890       124.8699 1219.904       
222.7275 1237.384       150.7981 71.61921 7.407393 74.71261 4.807541 -3.093399 
8.830737 
1 1 1 6   0   35 o 66.75075 5.134588  1102.366       132.7868 993.9426       
227.1643 1158.642       163.6586 62.26722 8.689636 71.23428 5.472313 -8.967064 
10.26918 
1 1 1 6   0   36 o 67.81232 4.874794  1150.049       125.8721 1109.519       
225.3411 1168.431       151.7541 64.51443 8.319641 71.11020 5.083111 -6.595764 
9.749587 
1 1 1 6   1   0  o 268.9540 4.054308  15408.36       438.4653 15938.78       
551.6183 14498.13       722.6116 275.3918 4.770992 262.5161 6.556469 12.87573 
8.108616 
1 1 1 6   1   1  o 300.0771 5.206444  18903.00       649.3797 19313.21       
995.7238 18599.40       856.6179 302.8480 7.831325 297.3063 6.862843 5.541656 
10.41289 
1 1 1 6   1   2  o 275.9688 4.951447  15660.20       515.9114 15210.26       
604.5479 16866.03       989.6954 268.9842 5.353342 282.9532 8.331207 -13.96902 
9.902893 
1 1 1 6   1   3  o 144.3948 2.804718  4382.625       166.7088 4392.320       
215.6511 4368.227       262.8040 144.6048 3.552139 144.1848 4.341438 0.4200287 
5.609436 
1 1 1 6   1   4  o 154.7580 2.994461  4994.727       161.5154 4965.366       
182.7702 5099.397       345.0891 153.7667 2.831159 155.7494 5.277473 -1.982697 
5.988922 
1 1 1 6   1   5  o 93.21430 2.331568  1825.961       91.10574 1844.051       
125.7659 1805.984       132.1576 93.70194 3.196946 92.72666 3.394756 0.9752808 
4.663136 
1 1 1 6   1   6  o 309.0922 6.308285  20144.89       818.1594 20422.83       
1143.112 19852.96       1171.515 311.3033 8.746333 306.8810 9.092828 4.422394 
12.61657 
1 1 1 6   1   7  o 85.14713 2.695869  1520.197       95.69347 1546.592       
144.7125 1499.686       127.5656 85.79918 4.017389 84.49506 3.596029 1.304115 
5.391738 
1 1 1 6   1   8  o 370.8325 6.468590  28697.82       876.6653 29593.10       
1751.647 28398.63       1012.610 374.2641 11.14781 367.4010 6.564825 6.863098 
12.93718 
1 1 1 6   1   9  o 178.0016 2.611317  6544.946       177.0659 6919.122       
333.3145 6397.838       208.9940 181.4612 4.375134 174.5420 2.852037 6.919266 
5.222635 
1 1 1 6   1   10 o 105.9664 2.969404  2320.832       129.9688 2567.764       
206.8556 2159.768       167.0623 110.5413 4.457219 101.3915 3.924622 9.149719 
5.938809 
1 1 1 6   1   11 o 467.0650 8.168634  46184.79       1566.877 45831.38       
2483.362 46418.53       2019.631 465.2241 12.71449 468.9059 10.25905 -3.681885 
16.33727 
1 1 1 6   1   12 o 400.7264 8.233110  33911.78       1375.614 34412.94       
2077.090 33520.22       1835.971 403.1924 12.27055 398.2603 10.98044 4.932098 
16.46622 
1 1 1 6   1   13 o 426.2117 7.277532  38495.79       1020.805 38165.61       
2335.924 38573.72       1134.908 424.2563 13.11449 428.1671 6.313475 -3.910797 
14.55506 
1 1 1 6   1   14 o 101.7034 2.821265  2177.407       120.2428 2057.910       
171.7925 2292.173       168.3576 98.95919 4.134939 104.4477 3.839326 -5.488472 
5.642530 
1 1 1 6   1   15 o 186.8991 5.413241  7265.481       376.8949 7572.963       
733.0445 7154.991       439.4249 189.3824 9.219594 184.4159 5.675543 4.966507 
10.82648 
1 1 1 6   1   16 o 71.59566 6.808150  1079.970       204.6420 0.000000       
0.000000 1079.970       204.6420 ?        ?        71.59566 6.808150 ? ? 
1 1 1 6   1   17 o 186.8416 4.568106  7276.163       318.6476 7533.958       
616.6472 7182.249       372.1905 188.9110 7.775003 184.7722 4.797884 4.138809 
9.136211 
1 1 1 6   1   18 o 126.1743 3.667198  3339.769       193.8840 3090.649       
265.5295 3624.279       283.7646 121.1503 5.220468 131.1983 5.151707 -10.04797 
7.334396 
1 1 1 6   1   19 o 93.97252 3.144699  1742.980       113.1699 2144.072       
217.6952 1594.444       132.4780 100.8739 5.140330 87.07111 3.624020 13.80283 
6.289397 
1 1 1 6   1   20 o 201.7725 5.745056  8680.550       447.9777 8560.215       
807.4655 8734.059       538.4430 200.2905 9.602509 203.2546 6.309872 -2.964081 
11.49011 
1 1 1 6   1   21 o 101.3342 3.546471  2165.177       144.7170 2176.098       
241.8624 2159.087       180.6165 101.4539 5.678332 101.2146 4.250455 0.2393112 
7.092942 
1 1 1 6   1   22 o 221.1061 5.767359  10414.71       498.9169 10515.17       
884.0919 10367.77       604.3438 221.1998 9.519932 221.0124 6.513111 0.1873322 
11.53472 
1 1 1 6   1   23 o 105.8683 3.097136  2344.581       130.9880 2431.748       
224.4689 2299.572       161.2993 107.2657 4.984441 104.4709 3.677548 2.794762 
6.194272 
1 1 1 6   1   24 o 35.04331 5.888105  315.9779       97.13149 18.87395       
173.8409 450.8293       117.1184 23.97202 10.10369 46.11460 6.049338 -22.14257 
11.77621 
1 1 1 6   1   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   1   26 o 146.4170 4.218976  4342.660       232.1656 5057.719       
455.8003 4092.146       269.7860 153.7749 7.060091 139.0590 4.621058 14.71585 
8.437953 
1 1 1 6   1   27 o 105.2507 4.065800  2252.966       153.2204 2578.867       
322.7234 2158.127       174.0927 109.5236 7.018495 100.9778 4.106538 8.545776 
8.131600 
1 1 1 6   1   28 o 75.44395 4.205186  1148.445       120.2642 1391.364       
234.4256 1061.676       140.1062 80.24653 6.958247 70.64137 4.724103 9.605164 
8.410372 
1 1 1 6   1   29 o 125.4670 4.633115  3467.481       220.5534 3272.841       
404.0866 3550.069       263.2183 122.0340 7.887051 128.9001 4.863893 -6.866066 
9.266231 
1 1 1 6   1   30 f 79.10576 4.349429  1300.121       121.0795 1479.591       
260.1764 1250.508       136.7954 81.70071 7.585130 76.51081 4.258629 5.189903 
8.698857 
1 1 1 6   1   31 o 55.00475 4.842096  633.0721       97.73520 756.0309       
199.2130 594.0950       112.1612 57.64661 8.231234 52.36290 5.101996 5.283703 
9.684192 
1 1 1 6   1   32 o 78.87797 4.170232  1369.695       118.7290 1387.198       
238.4165 1363.922       136.9135 78.17309 7.264406 79.58285 4.097774 -1.409760 
8.340464 
1 1 1 6   1   33 o 43.81982 5.888614  508.7721       91.95654 358.0977       
173.3483 567.7759       108.4774 36.84889 10.62186 50.79076 5.087165 -13.94187 
11.77723 
1 1 1 6   1   34 o 25.11212 7.026154  131.8631       104.4009 142.7309       
187.4060 126.9726       125.7151 26.24315 10.72107 23.98109 9.084382 2.262064 
14.05231 
1 1 1 6   1   35 f 16.73217 5.612242  -106.6579      103.6719 -259.2159      
193.4669 -45.20459      122.7897 16.77352 8.206443 16.69082 7.657894 
0.8269501E-01  11.22448 
1 1 1 6   1   36 o 31.71121 7.372836  240.9150       104.2710 502.6646       
207.7118 152.7309       120.5628 39.27636 11.71771 24.14606 8.951548 15.13030 
14.74567 
1 1 1 6   1   37 o 24.51757 6.696293  182.3139       103.1809 59.26910       
207.6636 222.6482       118.8957 21.64599 9.942869 27.38915 8.972219 -5.743162 
13.39259 
1 1 1 6   2   0  o 28.45581 3.128549  174.8370       35.02424 243.6110       
51.17066 114.2187       48.04086 34.05510 3.578985 22.85651 5.132459 11.19859 
6.257097 
1 1 1 6   2   1  o 56.24918 2.164491  664.5828       51.00343 663.0823       
74.59626 665.8998       69.89275 56.18865 3.162201 56.30970 2.956446 
-0.1210556     4.328983 
1 1 1 6   2   2  o 188.8035 2.788105  7122.437       173.0401 6913.666       
190.8461 8087.223       410.2640 181.4514 2.505210 196.1556 4.981772 -14.70418 
5.576211 
1 1 1 6   2   3  f 198.5239 3.624274  8311.292       297.1882 8440.105       
388.6483 8129.920       461.1710 200.4072 4.619177 196.6407 5.586112 3.766495 
7.248549 
1 1 1 6   2   4  o 115.8079 3.013382  2815.872       146.4260 2761.527       
202.9504 2874.874       211.4673 114.6445 4.216556 116.9714 4.306107 -2.326874 
6.026765 
1 1 1 6   2   5  o 334.7310 4.791966  23396.70       604.2142 23174.13       
710.1245 23980.42       1150.013 332.0394 5.094082 337.4225 8.118010 -5.383148 
9.583932 
1 1 1 6   2   6  o 181.0686 3.908749  6902.451       295.7580 6995.243       
400.9312 6791.676       438.0605 182.4200 5.235021 179.7172 5.805845 2.702820 
7.817498 
1 1 1 6   2   7  o 297.3749 5.989465  18652.92       743.6796 18841.36       
1003.483 18423.31       1107.660 299.1030 7.991172 295.6468 8.923896 3.456177 
11.97893 
1 1 1 6   2   8  o 118.9773 2.636886  2972.925       124.0242 2971.510       
151.6945 2975.777       215.3951 118.9490 3.037597 119.0056 4.311111 
-0.5664825E-01 5.273773 
1 1 1 6   2   9  o 206.0717 4.303507  8665.212       333.9073 8349.444       
389.9234 9533.511       646.5914 199.3239 4.659519 212.8195 7.236682 -13.49565 
8.607014 
1 1 1 6   2   10 o 105.0714 2.579988  2284.155       103.2574 2237.666       
121.9293 2402.043       194.1615 103.2245 2.813498 106.9183 4.325457 -3.693871 
5.159976 
1 1 1 6   2   11 o 183.0858 3.952451  7062.928       299.9073 6954.938       
460.8096 7142.283       395.0171 181.8438 6.035929 184.3279 5.104414 -2.484085 
7.904903 
1 1 1 6   2   12 o 488.6265 10.50561  50724.71       2154.984 50434.55       
3025.698 51023.43       3070.000 487.2344 14.79138 490.0186 14.92268 -2.784241 
21.01122 
1 1 1 6   2   13 o 330.2345 5.473925  23297.25       614.0509 23532.45       
691.1215 22415.59       1338.075 334.5859 4.920032 325.8831 9.780016 8.702759 
10.94785 
1 1 1 6   2   14 o 305.8006 4.093238  19670.64       525.4982 19482.95       
742.8088 19858.69       743.5251 304.3376 5.813564 307.2636 5.763755 -2.926025 
8.186477 
1 1 1 6   2   15 o 322.2841 8.041932  21885.17       1018.325 22285.41       
1795.822 21695.48       1236.309 323.9726 13.20311 320.5956 9.185240 3.376984 
16.08386 
1 1 1 6   2   16 o 373.4978 19.22816  30088.02       3015.120 0.000000       
0.000000 30088.02       3015.120 ?        ?        373.4978 19.22816 ? ? 
1 1 1 6   2   17 o 223.4672 6.979987  10601.64       602.1357 10494.58       
1089.002 10648.79       722.6512 222.2784 11.66951 224.6560 7.661818 -2.377563 
13.95997 
1 1 1 6   2   18 o 178.8249 5.597944  6762.102       371.1106 6745.954       
719.2136 6767.961       433.2409 178.4037 9.602298 179.2460 5.757063 
-0.8423920     11.19589 
1 1 1 6   2   19 o 83.58034 3.471630  1524.958       115.4690 1282.674       
187.8890 1672.001       146.3726 78.00218 5.737407 89.15850 3.910373 -11.15632 
6.943260 
1 1 1 6   2   20 o 226.4400 6.176092  10641.44       483.9602 11355.96       
1053.095 10450.14       544.9102 230.3763 10.88807 222.5038 5.833224 7.872574 
12.35218 
1 1 1 6   2   21 o 36.40757 5.384938  304.1581       76.04599 237.6206       
132.8258 336.6029       92.75171 32.89558 9.239182 39.91955 5.534232 -7.023964 
10.76988 
1 1 1 6   2   22 f 144.4650 4.058955  4364.335       223.5267 4542.063       
418.3180 4293.309       264.4455 146.2611 6.812377 142.6689 4.414970 3.592194 
8.117909 
1 1 1 6   2   23 o 156.5527 4.433578  5232.319       285.0669 5038.536       
447.9187 5364.243       369.5744 153.9157 6.931662 159.1897 5.529783 -5.274017 
8.867155 
1 1 1 6   2   24 o 217.9914 5.884052  10203.72       525.9890 9954.815       
832.7135 10368.96       678.4781 215.3203 9.211527 220.6625 7.323664 -5.342133 
11.76810 
1 1 1 6   2   25 o 107.3526 3.930180  2475.251       153.5261 2369.338       
302.7470 2511.917       178.1291 105.5474 6.832086 109.1577 3.886883 -3.610298 
7.860360 
1 1 1 6   2   26 o 138.7650 5.751269  4087.496       335.0599 0.000000       
0.000000 4087.496       335.0599 ?        ?        138.7650 5.751269 ? ? 
1 1 1 6   2   27 o 27.06317 7.093739  61.83424       95.10286 274.6256       
205.7805 4.040236       107.2429 35.63235 11.80372 18.49399 7.871253 17.13836 
14.18748 
1 1 1 6   2   28 o 19.97301 5.975513  -2.196591      92.34007 -240.2889      
181.4192 81.05272       107.2756 17.72899 8.502090 22.21703 8.398897 -4.488037 
11.95103 
1 1 1 6   2   29 o 70.64963 3.999231  954.3144       102.1223 1311.762       
219.8211 855.9358       115.3225 77.85090 6.725535 63.44835 4.329269 14.40255 
7.998462 
1 1 1 6   2   30 o 76.17313 4.457168  1196.462       116.5381 1376.358       
259.8802 1151.181       130.3824 78.86687 7.848734 73.47939 4.226437 5.387482 
8.914336 
1 1 1 6   2   31 o 45.64775 5.358096  392.0578       89.49121 661.4617       
188.9379 314.1359       101.6125 54.05908 8.324757 37.23642 6.747976 16.82266 
10.71619 
1 1 1 6   2   32 o 44.76286 5.587705  415.6125       91.05630 577.7458       
185.0291 363.7986       104.5989 48.96399 9.336049 40.56174 6.142312 8.402256 
11.17541 
1 1 1 6   2   33 o 35.87891 6.734307  303.9849       90.49165 359.5744       
193.2715 288.3769       102.4104 36.76276 11.37188 34.99506 7.216919 1.767693 
13.46861 
1 1 1 6   2   34 o 22.56773 6.753624  58.99630       102.3697 109.6264       
186.8365 37.27638       122.3732 25.28976 10.55673 19.84571 8.426221 5.444052 
13.50725 
1 1 1 6   2   35 o 20.40969 6.445446  -15.24786      101.5740 107.1146       
191.1779 -63.37460      119.8966 24.75719 10.52235 16.06219 7.446831 8.694998 
12.89089 
1 1 1 6   2   36 o 26.66275 6.881405  200.2831       111.1411 -16.34628      
231.5116 265.1604       126.6952 22.19191 10.31145 31.13359 9.115316 -8.941683 
13.76281 
1 1 1 6   2   37 o 21.38359 6.595075  79.94502       95.27351 135.7060       
206.7452 64.91097       107.3516 23.76937 10.50978 18.99782 7.970236 4.771547 
13.19015 
1 1 1 6   3   0  o 326.9692 4.216987  22427.39       508.4050 22598.76       
996.9048 22367.15       591.0421 327.6703 7.246658 326.2682 4.314841 1.402069 
8.433973 
1 1 1 6   3   1  o 301.1124 4.426935  19084.11       559.1403 19447.71       
779.0969 18697.91       802.9290 304.0869 6.102598 298.1378 6.414772 5.949188 
8.853869 
1 1 1 6   3   2  o 97.15562 2.448035  1963.185       98.53386 2098.554       
154.3549 1870.082       128.0095 99.95071 3.678371 94.36052 3.231268 5.590195 
4.896070 
1 1 1 6   3   3  o 72.15428 2.218010  1098.363       66.88654 1183.608       
92.95065 1006.820       96.32316 75.07290 2.949106 69.23567 3.313766 5.837227 
4.436019 
1 1 1 6   3   4  o 161.1139 3.644456  5451.739       246.4047 5616.327       
354.9878 5298.709       342.2964 163.4577 5.172840 158.7701 5.135169 4.687668 
7.288911 
1 1 1 6   3   5  o 101.5098 2.338417  2173.138       97.47077 2208.235       
125.9339 2120.699       153.9323 102.5424 2.925232 100.4772 3.649080 2.065155 
4.676833 
1 1 1 6   3   6  o 78.25328 2.436919  1292.228       79.12755 1328.641       
105.0611 1244.498       120.2838 79.53703 3.146253 76.96952 3.722284 2.567513 
4.873839 
1 1 1 6   3   7  o 98.74698 2.741463  2013.377       112.2058 1842.951       
145.3325 2264.883       176.5500 93.66565 3.695758 103.8283 4.050168 -10.16266 
5.482927 
1 1 1 6   3   8  f 97.24496 2.502472  2008.815       98.84211 1894.210       
159.1817 2080.731       126.0968 94.95358 3.993034 99.53635 3.017473 -4.582771 
5.004943 
1 1 1 6   3   9  o 85.73282 2.403689  1536.148       84.88316 1505.295       
109.3694 1582.883       134.6086 84.66029 3.077068 86.80534 3.693580 -2.145050 
4.807378 
1 1 1 6   3   10 o 192.9626 3.998677  7838.665       322.5797 7936.637       
438.1107 7722.661       476.7245 194.2968 5.370803 191.6283 5.925552 2.668518 
7.997355 
1 1 1 6   3   11 o 162.2874 3.248480  5511.679       199.3854 5481.734       
235.1568 5588.264       376.0685 161.5457 3.467233 163.0291 5.494431 -1.483398 
6.496959 
1 1 1 6   3   12 o 54.11780 3.088038  630.7365       68.27921 530.9004       
104.0739 706.1810       90.47145 50.25671 4.932518 57.97889 3.716744 -7.722187 
6.176076 
1 1 1 6   3   13 o 242.9534 3.676948  12492.72       335.0100 12224.19       
634.9257 12596.32       394.3752 241.0476 6.273952 244.8593 3.836313 -3.811737 
7.353895 
1 1 1 6   3   14 f 184.3724 3.679018  7222.808       271.3187 6893.405       
454.1750 7405.592       338.3227 181.0219 5.976038 187.7229 4.292744 -6.701035 
7.358035 
1 1 1 6   3   15 o 165.5855 4.313118  5735.437       296.6153 5993.029       
458.3694 5549.857       389.0564 168.7409 6.470179 162.4301 5.705149 6.310776 
8.626236 
1 1 1 6   3   16 o 230.2292 8.320591  11181.26       804.2544 0.000000       
0.000000 11181.26       804.2544 ?        ?        230.2292 8.320591 ? ? 
1 1 1 6   3   17 o 292.6878 8.701368  18318.33       1057.379 17362.63       
1594.497 19068.51       1412.678 285.5290 13.30131 299.8467 11.22187 -14.31769 
17.40274 
1 1 1 6   3   18 o 38.17661 5.987526  309.0875       84.98875 322.4854       
168.5692 304.5210       98.41214 38.33620 10.26569 38.01702 6.165832 0.3191795 
11.97505 
1 1 1 6   3   19 o 271.7812 7.791526  15786.52       838.9089 15560.30       
1442.838 15902.05       1031.112 269.6460 12.74514 273.9164 8.966205 -4.270386 
15.58305 
1 1 1 6   3   20 o 43.09706 5.305803  461.9603       80.21847 277.7108       
146.7815 540.4291       95.78915 35.53176 9.608563 50.66236 4.503519 -15.13061 
10.61161 
1 1 1 6   3   21 o 248.0375 5.220850  12956.33       536.4910 12513.41       
698.7442 13592.40       837.3542 243.0856 6.846681 252.9894 7.883659 -9.903854 
10.44170 
1 1 1 6   3   22 o 81.45804 3.169488  1385.302       102.7979 1443.530       
177.5967 1355.964       126.0627 82.67515 5.116595 80.24094 3.742069 2.434212 
6.338977 
1 1 1 6   3   23 o 231.8889 5.084960  11471.15       489.0877 11264.15       
748.1953 11625.59       646.2896 229.7994 7.755096 233.9783 6.579192 -4.178986 
10.16992 
1 1 1 6   3   24 o 79.48485 3.030704  1316.651       94.14062 1377.067       
168.8553 1289.401       113.4003 80.72256 4.982426 78.24713 3.451969 2.475433 
6.061408 
1 1 1 6   3   25 o 135.8239 3.246305  3917.529       147.1236 3857.403       
330.1015 3932.433       164.3497 134.9318 5.827124 136.7160 2.863324 -1.784225 
6.492611 
1 1 1 6   3   26 o 126.4283 3.580274  3459.650       165.9398 3220.660       
321.2161 3546.648       193.8034 123.1289 6.213816 129.7276 3.558360 -6.598747 
7.160547 
1 1 1 6   3   27 o 119.9250 3.826381  3082.898       183.0719 2960.772       
308.3187 3149.404       227.5228 117.8460 6.231696 122.0041 4.441928 -4.158119 
7.652762 
1 1 1 6   3   28 o 85.62833 7.164380  1579.965       257.5580 1579.965       
257.5580 0.000000       0.000000 85.62833 7.164380 ?        ?        ? ? 
1 1 1 6   3   29 o 112.3215 4.127553  2585.821       169.3585 2953.729       
345.8439 2469.765       194.2423 116.7998 7.052759 107.8432 4.290145 8.956573 
8.255105 
1 1 1 6   3   30 o 126.1749 4.827856  3597.400       217.6385 3200.763       
429.3754 3734.537       252.4747 120.0549 8.518795 132.2950 4.545646 -12.24001 
9.655711 
1 1 1 6   3   31 o 98.70935 3.640854  1997.501       134.9234 2338.611       
265.2379 1878.421       156.7145 103.5842 6.099064 93.83451 3.978026 9.749680 
7.281708 
1 1 1 6   3   32 o 16.13682 5.390968  -147.8738      83.22345 -14.01429      
156.8922 -200.2865      98.17369 20.75513 9.168969 11.51852 5.672755 9.236609 
10.78194 
1 1 1 6   3   33 f 33.04129 5.742460  304.5818       89.20731 60.52596       
165.3661 404.7563       105.9450 23.35685 9.849853 42.72573 5.906250 -19.36888 
11.48492 
1 1 1 6   3   34 o 50.40557 6.357713  580.3254       115.7954 724.4072       
231.5013 532.2487       133.7263 52.46638 10.87536 48.34477 6.588529 4.121613 
12.71543 
1 1 1 6   3   35 o 23.39565 6.692167  105.6095       101.7733 0.4503786E-01  
196.3177 144.4067       119.0147 22.09908 9.974341 24.69221 8.924848 -2.593132 
13.38433 
1 1 1 6   3   36 o 21.35120 5.958687  63.61988       97.60913 -290.1342      
197.4799 177.9843       112.2839 16.49341 8.124019 26.20899 8.719181 -9.715582 
11.91737 
1 1 1 6   3   37 o 30.52118 6.901064  291.2241       100.0453 221.7274       
209.9387 311.6437       113.7978 26.89290 11.20587 34.14946 8.057747 -7.256557 
13.80213 
1 1 1 6   4   0  o 197.3645 2.574347  8144.577       206.6798 8333.811       
338.7881 8032.402       260.8414 199.1661 4.051666 195.5629 3.176956 3.603241 
5.148694 
1 1 1 6   4   1  o 201.7404 2.720829  8600.740       224.6968 8788.140       
289.1298 8314.955       357.0487 204.5495 3.366786 198.9313 4.275091 5.618225 
5.441659 
1 1 1 6   4   2  o 128.4311 2.263587  3463.990       121.3519 3467.256       
181.6466 3461.358       163.0851 128.4822 3.367483 128.3800 3.025784 0.1021881 
4.527175 
1 1 1 6   4   3  o 141.4518 2.643255  4110.386       152.0994 4569.311       
253.5289 3852.336       190.1117 147.4739 4.094806 135.4297 3.343614 12.04425 
5.286510 
1 1 1 6   4   4  o 103.4450 2.737794  2231.558       118.2705 2403.356       
178.7846 2097.875       157.7102 106.9569 3.981459 99.93298 3.758997 7.023956 
5.475589 
1 1 1 6   4   5  o 171.7496 3.307436  6167.975       234.9973 6377.087       
367.6913 6023.577       305.5443 174.1833 5.028030 169.3160 4.298306 4.867325 
6.614872 
1 1 1 6   4   6  o 97.41006 2.186533  1987.104       88.70276 1949.333       
117.6805 2036.797       134.9809 96.34398 2.909383 98.47614 3.264843 -2.132164 
4.373066 
1 1 1 6   4   7  o 133.4204 2.673408  3749.520       149.3392 3491.534       
213.6647 3995.924       208.8138 128.9170 3.947695 137.9239 3.606126 -9.006836 
5.346816 
1 1 1 6   4   8  o 129.4770 3.142041  3522.203       170.2678 3528.932       
250.9888 3516.466       231.7503 129.5864 4.613346 129.3676 4.266935 0.2188416 
6.284082 
1 1 1 6   4   9  o 184.0777 3.836195  7111.381       287.7627 7175.350       
467.9721 7072.486       364.9060 184.7090 6.034663 183.4465 4.737976 1.262512 
7.672390 
1 1 1 6   4   10 o 283.9698 4.850834  16963.42       565.4106 16941.88       
726.7322 16996.46       899.9884 283.8144 6.099033 284.1251 7.544811 
-0.3106689     9.701669 
1 1 1 6   4   11 o 125.4819 2.884982  3321.390       151.1685 3158.676       
222.3668 3461.203       206.1250 122.6065 4.319940 128.3573 3.824997 -5.750893 
5.769964 
1 1 1 6   4   12 o 329.5757 5.750247  22736.66       727.3926 22524.75       
865.9766 23244.42       1340.480 327.2191 6.303598 331.9322 9.619043 -4.713074 
11.50049 
1 1 1 6   4   13 o 253.6715 3.962108  13634.70       327.7555 13368.26       
757.7158 13696.02       363.5240 251.9946 7.162030 255.3484 3.390946 -3.353790 
7.924215 
1 1 1 6   4   14 o 225.3159 3.712278  10547.68       328.3261 11028.70       
584.1692 10325.57       396.9555 228.9647 6.077027 221.6672 4.265417 7.297531 
7.424557 
1 1 1 6   4   15 o 158.0146 4.965551  5321.065       288.2688 5125.460       
561.7800 5390.978       335.8571 155.8997 8.583055 160.1295 4.995792 -4.229706 
9.931102 
1 1 1 6   4   16 o 57.41692 5.303217  693.3671       127.8375 0.000000       
0.000000 693.3671       127.8375 ?        ?        57.41692 5.303217 ? ? 
1 1 1 6   4   17 o 198.0240 4.219732  8276.223       339.0410 8169.518       
554.2613 8340.021       428.5742 196.9292 6.703869 199.1188 5.126664 -2.189575 
8.439464 
1 1 1 6   4   18 o 146.7382 4.008660  4503.497       208.2489 4589.247       
434.8271 4477.974       237.2242 147.5226 7.020678 145.9538 3.871368 1.568771 
8.017320 
1 1 1 6   4   19 o 216.1116 4.301080  9878.062       369.7623 9739.729       
631.4444 9950.253       456.1512 214.8109 7.001641 217.4123 4.997419 -2.601410 
8.602160 
1 1 1 6   4   20 f 170.3994 3.828288  5972.777       258.1146 6556.900       
456.8729 5698.931       312.8211 176.2668 6.173707 164.5320 4.528629 11.73479 
7.656575 
1 1 1 6   4   21 f 91.44726 3.117237  1766.698       113.8972 1744.199       
192.8051 1778.758       141.1604 90.95022 5.049354 91.94430 3.656868 
-0.9940796     6.234473 
1 1 1 6   4   22 o 129.0348 3.179166  3515.260       166.7608 3491.245       
271.7375 3529.769       211.2094 128.6093 5.032668 129.4603 3.885955 
-0.8509369     6.358332 
1 1 1 6   4   23 o 51.61774 4.183456  558.8566       75.17645 574.2983       
160.8588 554.5416       85.03399 51.94117 7.376565 51.29432 3.948611 0.6468430 
8.366913 
1 1 1 6   4   24 o 66.49438 3.507922  987.9827       85.64537 820.7907       
160.1222 1054.983       101.3637 62.20975 6.130759 70.77901 3.411137 -8.569260 
7.015843 
1 1 1 6   4   25 o 207.5333 5.172668  9034.230       368.7793 9414.646       
805.5324 8933.358       414.8011 209.4146 9.162144 205.6519 4.804278 3.762695 
10.34534 
1 1 1 6   4   26 o 132.9220 2.976238  3727.755       139.4238 3728.785       
291.5154 3727.449       158.7588 132.7470 5.230677 133.0970 2.841126 
-0.3499756     5.952477 
1 1 1 6   4   27 o 79.98312 3.522069  1408.157       103.6878 1242.596       
196.4781 1472.064       122.0702 76.41142 6.124589 83.55482 3.479839 -7.143410 
7.044137 
1 1 1 6   4   28 o 21.23542 6.451303  10.13356       92.14155 -3.777300      
183.7228 14.80836       106.5044 23.58476 10.17667 18.88608 7.931748 4.698679 
12.90261 
1 1 1 6   4   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   4   30 o 56.06408 4.898113  692.1312       98.53668 664.3433       
197.4219 701.3503       113.7135 54.79406 8.581889 57.33409 4.724112 -2.540028 
9.796227 
1 1 1 6   4   31 o 66.80844 4.552867  1048.319       105.6975 831.5755       
209.4157 1122.408       122.4372 61.04550 8.171028 72.57139 4.018546 -11.52589 
9.105735 
1 1 1 6   4   32 o 80.71129 3.719615  1431.531       118.6058 1354.770       
202.3572 1471.700       146.3864 78.57215 6.134387 82.85043 4.208498 -4.278282 
7.439231 
1 1 1 6   4   33 f 82.12787 3.944735  1517.086       125.7959 1380.599       
218.6794 1584.590       153.7893 78.54205 6.631728 85.71368 4.273632 -7.171638 
7.889471 
1 1 1 6   4   34 o 66.31690 5.088224  1024.838       127.1192 970.4570       
233.3207 1047.795       151.5942 63.69514 8.725054 68.93866 5.237702 -5.243519 
10.17645 
1 1 1 6   4   35 o 36.67781 6.442562  392.4549       107.4101 163.1907       
197.7122 488.4513       127.9360 27.28118 11.05819 46.07444 6.613840 -18.79326 
12.88512 
1 1 1 6   4   36 o 27.37072 7.054520  198.9612       105.0675 129.1178       
198.5476 226.1268       123.8260 25.48045 10.77145 29.26098 9.112675 -3.780537 
14.10904 
1 1 1 6   4   37 f 30.53493 5.040507  292.7192       101.5439 -406.9838      
223.7719 474.1643       113.9518 16.16893 8.067615 44.90094 6.044869 -28.73201 
10.08101 
1 1 1 6   4   38 o 22.84456 6.027355  137.2066       95.63100 -123.9750      
186.8158 229.9495       111.3224 17.46669 8.436512 28.22243 8.610535 -10.75573 
12.05471 
1 1 1 6   5   0  o 130.0356 2.338969  3551.913       127.6781 3517.658       
181.3558 3585.576       179.7825 129.4133 3.337904 130.6580 3.277424 -1.244705 
4.677939 
1 1 1 6   5   1  o 171.3168 2.671554  6179.173       191.6659 5722.837       
272.7220 6624.531       269.4213 165.0477 3.935788 177.5859 3.613637 -12.53813 
5.343108 
1 1 1 6   5   2  o 182.9385 2.653692  7037.007       203.3921 7596.623       
288.7360 6485.810       286.5561 190.1695 3.616438 175.7076 3.884546 14.46198 
5.307384 
1 1 1 6   5   3  o 63.71445 2.241675  853.0510       59.91144 840.5891       
86.18431 864.7046       83.34228 63.26314 3.244879 64.16576 3.093735 
-0.9026260     4.483351 
1 1 1 6   5   4  o 59.30577 2.318762  740.5018       57.59487 782.0844       
80.36626 696.5947       82.58181 61.02296 3.136907 57.58857 3.415617 3.434387 
4.637523 
1 1 1 6   5   5  o 269.2290 4.180951  15294.42       467.8891 14858.01       
708.1105 15632.62       623.3537 265.7721 6.346184 272.6859 5.444937 -6.913788 
8.361901 
1 1 1 6   5   6  o 118.9550 2.454558  3010.195       117.3021 2837.640       
193.8365 3109.903       147.3452 116.2195 3.972627 121.6905 2.884036 -5.470993 
4.909117 
1 1 1 6   5   7  o 292.2050 5.848211  17962.80       711.9197 18174.87       
1078.559 17799.07       947.7001 293.6707 8.747907 290.7393 7.764047 2.931366 
11.69642 
1 1 1 6   5   8  o 175.1401 3.742253  6398.330       266.4630 6253.833       
335.3448 6645.827       438.8817 172.5080 4.630238 177.7723 5.880368 -5.264252 
7.484506 
1 1 1 6   5   9  o 174.9343 3.474133  6293.238       239.7001 6043.593       
289.9214 6832.505       426.1099 169.6043 4.071593 180.2642 5.630321 -10.65987 
6.948265 
1 1 1 6   5   10 o 291.9733 3.778719  17927.62       462.9741 18568.42       
654.7021 17286.67       654.7866 297.2015 5.247033 286.7451 5.439072 10.45642 
7.557437 
1 1 1 6   5   11 o 394.8033 8.245640  32956.25       1366.534 32890.13       
1948.226 33020.29       1917.287 394.3879 11.76621 395.2186 11.55502 
-0.8306885     16.49128 
1 1 1 6   5   12 f 292.8313 5.201107  17942.50       600.0151 18372.28       
1054.758 17736.88       729.5629 295.2637 8.508715 290.3989 5.983963 4.864868 
10.40221 
1 1 1 6   5   13 o 380.9533 5.196360  30216.65       695.9728 31179.12       
1472.123 29939.61       789.8128 384.5091 9.119241 377.3976 4.984782 7.111511 
10.39272 
1 1 1 6   5   14 o 141.7205 2.128951  4142.118       121.0570 4473.076       
207.4122 3971.128       149.0845 145.9266 3.385486 137.5145 2.582290 8.412079 
4.257903 
1 1 1 6   5   15 o 240.3472 6.188352  12158.93       622.0677 12455.61       
925.5853 11914.52       840.0891 242.9735 9.073580 237.7209 8.417420 5.252548 
12.37670 
1 1 1 6   5   16 o 312.6507 7.676453  21042.33       793.7085 20090.52       
1786.665 21276.35       885.9267 307.4045 13.84376 317.8969 6.637929 -10.49234 
15.35291 
1 1 1 6   5   17 o 80.08746 3.653637  1389.030       109.8719 1258.676       
203.5455 1442.630       130.5203 77.31931 6.270392 82.85561 3.752124 -5.536308 
7.307273 
1 1 1 6   5   18 o 169.9350 4.742126  5971.630       276.2564 6286.192       
607.9935 5889.791       310.1179 172.5105 8.394686 167.3595 4.413647 5.150986 
9.484251 
1 1 1 6   5   19 o 145.4315 4.088664  4469.469       232.5806 4417.550       
410.8259 4493.958       282.1497 144.7128 6.761950 146.1502 4.598341 -1.437454 
8.177328 
1 1 1 6   5   20 o 299.6754 6.914587  19524.51       747.9084 18223.35       
1481.500 19969.54       866.4193 291.8325 12.09175 307.5182 6.710861 -15.68573 
13.82917 
1 1 1 6   5   21 o 153.6551 4.227459  5078.666       259.3079 4670.247       
431.0790 5310.242       324.6020 148.5718 6.911010 158.7384 4.870687 -10.16663 
8.454918 
1 1 1 6   5   22 o 163.6882 3.791962  5669.373       258.0463 5571.709       
391.4858 5744.404       343.1397 162.3684 5.742958 165.0079 4.953215 -2.639557 
7.583924 
1 1 1 6   5   23 o 82.18318 2.943901  1384.894       91.08646 1512.301       
176.0596 1338.328       106.4384 84.61986 4.955740 79.74651 3.179126 4.873352 
5.887801 
1 1 1 6   5   24 f 78.94891 3.392719  1401.352       101.8903 1100.354       
176.5611 1551.641       124.7606 72.06421 5.835747 85.83361 3.462112 -13.76940 
6.785438 
1 1 1 6   5   25 o 91.69391 2.865916  1797.982       100.3343 1711.318       
183.1694 1835.133       119.9267 90.00592 4.847333 93.38190 3.058962 -3.375984 
5.731831 
1 1 1 6   5   26 o 124.8493 3.673930  3281.856       163.2320 3325.756       
337.5319 3268.455       186.4898 125.1418 6.424414 124.5569 3.566223 0.5849304 
7.347859 
1 1 1 6   5   27 o 72.64990 3.593098  1126.161       93.99643 1100.974       
189.2936 1134.404       108.2908 71.94174 6.267237 73.35806 3.516130 -1.416313 
7.186197 
1 1 1 6   5   28 o 28.73821 5.960100  196.2001       74.57338 87.95694       
155.4937 228.5338       84.98467 25.34018 9.975042 32.13624 6.526079 -6.796059 
11.92020 
1 1 1 6   5   29 o 134.1463 3.926589  3770.271       186.7588 3979.137       
391.4039 3708.700       212.5105 135.9114 6.859468 132.3812 3.823623 3.530151 
7.853177 
1 1 1 6   5   30 o 73.04474 4.019670  1132.420       123.2703 0.000000       
0.000000 1132.420       123.2703 ?        ?        73.04474 4.019670 ? ? 
1 1 1 6   5   31 o 119.2351 3.613469  3114.562       162.8772 2904.019       
299.6704 3202.838       194.0410 115.7076 6.168833 122.7626 3.764856 -7.055054 
7.226939 
1 1 1 6   5   32 o 38.55270 6.030751  353.0497       87.37804 317.6761       
168.6916 366.0204       102.1493 36.15323 10.49672 40.95218 5.941271 -4.798946 
12.06150 
1 1 1 6   5   33 o 103.8647 3.948823  2345.784       165.7868 2432.170       
275.9468 2296.991       207.3877 104.7779 6.273021 102.9514 4.798128 1.826515 
7.897646 
1 1 1 6   5   34 o 26.77021 6.828495  167.8006       100.2983 57.73475       
190.2425 210.1707       118.0350 24.21883 10.40103 29.32159 8.850533 -5.102760 
13.65699 
1 1 1 6   5   35 o 46.56165 6.457642  577.1375       109.3923 453.4429       
204.8333 626.4943       129.3895 40.33155 11.52059 52.79173 5.837867 -12.46018 
12.91528 
1 1 1 6   5   36 o 53.87510 5.422480  591.5170       104.8449 935.3848       
231.2384 502.5325       117.6309 60.85476 9.050788 46.89543 5.974646 13.95934 
10.84496 
1 1 1 6   5   37 o 35.83717 5.921641  399.8035       100.8154 110.7687       
179.3178 533.3881       121.9064 23.86171 10.16768 47.81264 6.073020 -23.95093 
11.84328 
1 1 1 6   5   38 o 22.19383 6.144569  119.9964       95.36505 -78.96257      
181.3008 196.1013       112.1306 18.18207 8.666176 26.20560 8.713226 -8.023523 
12.28914 
1 1 1 6   6   0  o 178.9022 2.722654  6665.310       202.9529 7182.411       
310.6373 6280.190       268.0797 184.8982 4.001677 172.9061 3.692961 11.99208 
5.445307 
1 1 1 6   6   1  o 385.5633 5.147829  31298.46       813.2667 31326.33       
1042.521 31255.14       1299.855 385.8966 6.434799 385.2299 8.037036 0.6666260 
10.29566 
1 1 1 6   6   2  o 314.0033 5.005571  20615.14       647.2451 20081.25       
832.5059 21431.00       1029.130 308.9685 6.417918 319.0381 7.683314 -10.06955 
10.01114 
1 1 1 6   6   3  o 77.55782 2.201439  1254.534       71.34222 1440.256       
105.4882 1097.981       96.85061 82.81200 3.034112 72.30363 3.190534 10.50838 
4.402879 
1 1 1 6   6   4  o 305.6478 4.580194  19731.42       574.6235 20039.20       
741.8291 19269.74       908.5717 308.7112 5.723642 302.5843 7.152105 6.126923 
9.160387 
1 1 1 6   6   5  o 67.22955 2.306329  949.3713       65.08734 929.5217       
91.96097 969.2957       92.13407 66.52500 3.292606 67.93410 3.230380 -1.409096 
4.612657 
1 1 1 6   6   6  o 272.9951 4.848863  15703.57       527.4089 15750.69       
650.9502 15613.52       899.8091 273.6962 5.665003 272.2940 7.871064 1.402191 
9.697726 
1 1 1 6   6   7  o 221.5697 4.553675  10310.78       421.3317 10171.04       
565.5275 10485.10       631.6465 219.9076 6.125401 223.2317 6.739680 -3.324097 
9.107349 
1 1 1 6   6   8  o 118.3041 2.817597  2943.869       139.2529 2976.874       
188.3883 2904.113       206.7579 119.0411 3.769451 117.5672 4.188871 1.473900 
5.635193 
1 1 1 6   6   9  o 139.9205 2.679206  4104.438       157.2255 4340.005       
228.2218 3891.644       216.9101 143.7341 3.781972 136.1069 3.795954 7.627213 
5.358412 
1 1 1 6   6   10 o 271.1824 5.028647  15570.62       555.8419 15082.84       
893.7853 15878.25       709.7973 267.6086 7.955256 274.7562 6.153296 -7.147583 
10.05729 
1 1 1 6   6   11 o 120.5033 2.793622  3004.233       129.9349 3168.453       
238.9543 2935.291       154.8249 122.7870 4.635360 118.2196 3.119411 4.567444 
5.587244 
1 1 1 6   6   12 o 224.1070 2.951535  10219.03       243.5748 11249.62       
488.7725 9878.527       280.9457 231.3386 5.032453 216.8754 3.085555 14.46323 
5.903070 
1 1 1 6   6   13 o 191.9952 2.351672  7752.720       188.1996 7657.530       
282.7342 7828.451       252.1864 190.9283 3.527193 193.0621 3.111327 -2.133820 
4.703344 
1 1 1 6   6   14 o 71.08487 2.372386  1095.507       68.53499 832.0049       
101.2082 1318.671       93.13994 62.92956 3.830735 79.24019 2.799700 -16.31063 
4.744771 
1 1 1 6   6   15 o 285.1057 8.734535  17120.25       1042.348 15821.11       
1410.488 18683.41       1547.183 273.2722 12.29405 296.9390 12.41068 -23.66678 
17.46907 
1 1 1 6   6   16 o 300.7262 5.647440  18802.52       611.2734 19574.33       
1252.413 18561.17       700.3585 304.4037 9.799836 297.0487 5.615827 7.354980 
11.29488 
1 1 1 6   6   17 o 244.9309 5.374692  12479.53       475.0396 12976.48       
969.3111 12322.44       544.9716 247.8357 9.315804 242.0261 5.363307 5.809601 
10.74938 
1 1 1 6   6   18 o 465.9446 9.984466  46253.38       1858.604 46695.25       
3160.476 46019.77       2297.963 466.4364 16.13917 465.4529 11.75949 0.9834595 
19.96893 
1 1 1 6   6   19 o 106.6474 3.133886  2391.051       134.5040 2397.010       
225.0326 2387.739       167.7707 106.7200 5.022508 106.5747 3.749584 0.1453247 
6.267772 
1 1 1 6   6   20 o 116.0841 2.659342  2813.263       126.5150 2926.745       
204.0653 2742.412       161.2430 117.9510 4.120868 114.2171 3.362566 3.733871 
5.318685 
1 1 1 6   6   21 o 69.35558 3.278857  933.0507       86.93519 1210.471       
169.2241 833.5838       101.3286 75.76812 5.319817 62.94303 3.834472 12.82509 
6.557714 
1 1 1 6   6   22 o 83.13621 3.181971  1408.839       93.47993 1546.038       
199.1596 1370.072       105.8662 85.56165 5.544255 80.71077 3.124259 4.850876 
6.363942 
1 1 1 6   6   23 o 120.3245 3.069939  3023.046       131.2378 3109.272       
273.1815 2997.175       149.6360 121.2865 5.364881 119.3626 2.985994 1.923912 
6.139879 
1 1 1 6   6   24 o 191.9091 4.892232  7567.608       321.1151 8296.209       
714.4944 7383.190       359.4644 196.8088 8.647197 187.0094 4.578398 9.799454 
9.784464 
1 1 1 6   6   25 o 75.39914 3.338157  1265.843       91.97388 1064.935       
173.9126 1343.851       108.3684 70.89958 5.842632 79.89870 3.230607 -8.999115 
6.676314 
1 1 1 6   6   26 o 91.33539 2.887606  1742.195       100.0987 1799.189       
188.4515 1719.795       118.1428 92.27811 4.864318 90.39265 3.113115 1.885460 
5.775212 
1 1 1 6   6   27 o 121.8965 3.415536  3185.631       158.2926 3038.653       
291.0702 3247.354       188.6241 119.6751 5.793156 124.1180 3.619793 -4.442902 
6.831073 
1 1 1 6   6   28 o 64.27632 3.929649  872.1141       90.95667 890.6363       
185.0512 866.2137       104.4440 64.51530 6.832036 64.03735 3.884824 0.4779587 
7.859298 
1 1 1 6   6   29 o 84.54584 3.462310  1476.097       104.7977 1603.967       
218.2859 1437.796       119.4661 86.59025 6.004511 82.50142 3.449087 4.088829 
6.924620 
1 1 1 6   6   30 o 68.59875 4.025414  1101.164       95.91442 837.0263       
188.6178 1193.287       111.3918 62.10398 7.234095 75.09352 3.533228 -12.98954 
8.050828 
1 1 1 6   6   31 o 104.3227 3.392818  2298.716       134.7259 2396.499       
252.4993 2259.798       159.2963 105.4576 5.703001 103.1878 3.677041 2.269775 
6.785636 
1 1 1 6   6   32 o 134.4219 5.492764  3913.224       309.9844 3913.224       
309.9844 0.000000       0.000000 134.4219 5.492764 ?        ?        ? ? 
1 1 1 6   6   33 o 45.25920 5.650488  457.6425       99.21670 519.4002       
173.6960 427.7335       120.8773 46.60798 9.204300 43.91042 6.556898 2.697567 
11.30098 
1 1 1 6   6   34 o 51.14519 6.283168  704.4686       112.1062 454.0800       
205.0556 811.2133       133.8868 41.47705 11.41988 60.81332 5.243968 -19.33627 
12.56634 
1 1 1 6   6   35 f 18.36354 5.884086  -28.57234      94.58909 -200.3369      
192.6404 25.99507       108.5793 18.10642 8.701944 18.62066 7.922503 
-0.5142365     11.76817 
1 1 1 6   6   36 o 39.71544 6.756185  318.5995       97.73129 661.8892       
213.3981 227.4870       109.9384 49.47559 10.58173 29.95529 8.403043 19.52030 
13.51237 
1 1 1 6   6   37 o 38.22144 6.018816  451.3661       100.3218 170.0565       
179.8975 578.3351       120.8597 26.23878 10.58418 50.20409 5.734075 -23.96531 
12.03763 
1 1 1 6   6   38 o 17.57373 5.730347  -15.28225      92.65710 -102.7179      
180.9690 15.78262       107.8685 17.94172 8.576895 17.20575 7.601603 0.7359715 
11.46069 
1 1 1 6   7   0  o 299.6660 3.125951  18781.11       374.4102 18584.34       
462.1676 19156.85       638.6345 297.4379 3.701044 301.8940 5.038705 -4.456146 
6.251902 
1 1 1 6   7   1  o 68.13383 1.981333  975.0099       56.64682 970.5410       
81.32781 979.2212       78.94666 67.98170 2.849496 68.28597 2.753742 
-0.3042679     3.962667 
1 1 1 6   7   2  o 168.2144 2.746001  5938.398       186.4413 5922.563       
233.3449 5966.353       310.0441 167.9224 3.309870 168.5064 4.382562 
-0.5840607     5.492002 
1 1 1 6   7   3  o 264.2909 3.734154  14733.15       381.9272 14812.32       
459.1698 14555.39       688.0220 265.5208 4.119039 263.0609 6.229698 2.459839 
7.468307 
1 1 1 6   7   4  o 210.1686 3.321834  9133.714       232.0982 9040.781       
258.0045 9528.007       531.4387 207.4823 2.961879 212.8549 5.946898 -5.372650 
6.643669 
1 1 1 6   7   5  o 216.1324 3.776664  9809.133       338.3657 9750.772       
443.9679 9890.011       522.6432 215.3907 4.909595 216.8740 5.740092 -1.483307 
7.553329 
1 1 1 6   7   6  o 107.2132 2.620183  2405.966       117.2496 2491.742       
176.8916 2338.748       156.5902 108.9081 3.868726 105.5184 3.534741 3.389771 
5.240366 
1 1 1 6   7   7  o 35.68310 3.341189  268.0030       49.60255 316.4079       
71.40302 222.8562       68.95808 38.80474 4.382813 32.56147 5.044316 6.243271 
6.682377 
1 1 1 6   7   8  o 39.29897 3.265544  325.6532       52.66000 420.9894       
76.69745 240.6295       72.43055 44.76354 4.081103 33.83441 5.098991 10.92913 
6.531088 
1 1 1 6   7   9  o 286.2178 5.593536  17250.16       669.1619 17228.11       
904.5057 17276.83       994.5682 286.0591 7.531415 286.3766 8.272145 
-0.3174744     11.18707 
1 1 1 6   7   10 o 240.0770 2.875476  12051.49       272.5155 12279.37       
476.6895 11940.86       332.1439 241.7201 4.697251 238.4339 3.318022 3.286179 
5.750951 
1 1 1 6   7   11 o 246.4338 4.664130  12533.02       423.7661 13290.27       
841.3259 12275.60       490.5350 251.1949 7.977643 241.6728 4.834631 9.522049 
9.328260 
1 1 1 6   7   12 o 587.9351 9.541582  72443.73       1858.649 74644.01       
4253.182 71924.38       2066.404 591.6423 17.12284 584.2278 8.424694 7.414429 
19.08316 
1 1 1 6   7   13 o 182.6401 3.265785  7101.682       210.6281 6842.115       
435.3494 7181.008       240.6709 180.3736 5.748918 184.9066 3.100217 -4.533066 
6.531570 
1 1 1 6   7   14 o 391.6123 7.577541  31767.22       1093.486 33748.84       
2172.168 31094.59       1265.536 399.0329 12.96599 384.1917 7.845989 14.84119 
15.15508 
1 1 1 6   7   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   7   16 o 52.44841 4.366172  599.9626       86.29852 530.0693       
157.7717 629.8016       103.0869 50.15852 7.492133 54.73830 4.485730 -4.579781 
8.732344 
1 1 1 6   7   17 o 20.09493 5.918446  -2.694082      77.84610 76.19560       
141.8116 -36.71938      93.13278 24.46411 9.551847 15.72575 6.991010 8.738360 
11.83689 
1 1 1 6   7   18 o 234.8748 5.128230  11524.58       488.4400 12041.30       
810.5056 11229.91       612.0678 238.8448 8.082788 230.9048 6.313755 7.940079 
10.25646 
1 1 1 6   7   19 o 49.59103 3.871372  472.8970       69.62202 609.1837       
147.6708 433.9445       78.94696 53.75461 6.543348 45.42746 4.139406 8.327156 
7.742744 
1 1 1 6   7   20 o 191.2921 4.841924  7664.168       346.0623 7861.054       
667.1454 7591.691       404.7780 192.7131 8.245752 189.8710 5.077843 2.842087 
9.683848 
1 1 1 6   7   21 o 136.0607 2.958198  3696.579       141.4884 4267.226       
307.2462 3542.995       159.3954 142.2904 5.143184 129.8309 2.924277 12.45941 
5.916395 
1 1 1 6   7   22 o 135.1905 3.742475  3834.582       183.8521 3901.789       
369.2472 3812.428       211.9996 135.7959 6.476669 134.5852 3.751965 1.210663 
7.484950 
1 1 1 6   7   23 o 167.7247 3.453328  5635.563       171.4406 6375.340       
462.5096 5517.727       184.5902 173.4608 6.350976 161.9885 2.714223 11.47231 
6.906657 
1 1 1 6   7   24 o 231.0712 4.637640  11081.73       370.4142 11795.04       
806.9301 10891.29       416.9383 234.9438 8.180749 227.1987 4.371063 7.745056 
9.275281 
1 1 1 6   7   25 o 135.1870 3.721943  3885.721       186.9379 3820.729       
359.6650 3909.777       218.8161 134.1702 6.385036 136.2038 3.826584 -2.033600 
7.443886 
1 1 1 6   7   26 o 158.9679 4.033291  5244.012       215.3572 5534.062       
486.9470 5173.485       240.1164 161.2322 7.193679 156.7036 3.649756 4.528549 
8.066582 
1 1 1 6   7   27 o 76.56572 3.483296  1175.263       91.93897 1355.040       
204.9563 1129.975       102.8695 79.88826 6.110818 73.24319 3.345342 6.645073 
6.966593 
1 1 1 6   7   28 o 86.94447 2.861396  1606.953       97.26060 1569.389       
171.3640 1624.803       118.1312 86.08698 4.741363 87.80197 3.204656 -1.714996 
5.722792 
1 1 1 6   7   29 o 57.14155 3.951738  666.6607       84.22912 761.6108       
166.6616 634.0894       97.61269 59.57104 6.663793 54.71206 4.249563 4.858986 
7.903475 
1 1 1 6   7   30 o 114.1864 3.030343  2634.295       124.0320 3029.877       
261.2988 2519.240       140.9196 119.1411 5.223925 109.2317 3.072867 9.909370 
6.060685 
1 1 1 6   7   31 f 23.83002 6.191897  101.7966       72.64650 112.4795       
149.1918 98.47639       83.17295 25.71753 9.851113 21.94252 7.504261 3.775009 
12.38379 
1 1 1 6   7   32 o 62.46962 4.157476  783.2881       100.1909 1014.966       
191.4358 695.8896       117.5800 68.04020 6.701601 56.89903 4.922090 11.14117 
8.314952 
1 1 1 6   7   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   7   34 o 48.25330 6.099440  569.0269       105.7642 511.4735       
200.1169 591.3340       124.5860 44.73895 10.76815 51.76765 5.732337 -7.028702 
12.19888 
1 1 1 6   7   35 o 28.99425 6.923441  207.9738       93.05787 170.6920       
197.0693 218.6726       105.5692 28.08746 11.17470 29.90104 8.176938 -1.813578 
13.84688 
1 1 1 6   7   36 o 62.26876 4.984405  926.3917       110.4095 852.1944       
217.6975 952.0859       128.1081 58.76776 8.823388 65.76977 4.639501 -7.002007 
9.968809 
1 1 1 6   7   37 o 17.67180 5.714890  -45.58359      97.87801 -235.1109      
182.9092 30.46422       115.8625 16.53260 8.065346 18.81100 8.098769 -2.278402 
11.42978 
1 1 1 6   7   38 o 20.08614 6.304911  21.77408       94.08956 121.3026       
181.9173 -14.57381      109.9359 23.76090 10.18649 16.41138 7.432570 7.349520 
12.60982 
1 1 1 6   7   39 o 30.73023 5.536603  306.3699       101.6329 -63.76828      
186.6395 462.3887       121.1742 18.48726 8.803778 42.97320 6.716353 -24.48594 
11.07321 
1 1 1 6   8   0  o 365.0479 3.004529  27858.46       447.5170 27413.32       
567.2156 28592.43       728.3452 361.2430 3.739985 368.8527 4.703329 -7.609741 
6.009059 
1 1 1 6   8   1  f 178.1522 2.434454  6681.560       181.6605 6990.506       
252.5094 6350.116       261.5421 182.4350 3.296783 173.8693 3.582943 8.565781 
4.868908 
1 1 1 6   8   2  o 128.7766 2.376216  3470.870       127.0830 3402.261       
167.0824 3565.039       195.7472 127.2771 3.126811 130.2761 3.578919 -2.998985 
4.752432 
1 1 1 6   8   3  o 240.5248 3.749518  12135.82       376.4996 11926.52       
504.3406 12399.29       565.8546 238.2038 5.043084 242.8457 5.550032 -4.641876 
7.499036 
1 1 1 6   8   4  o 148.7324 2.830401  4636.361       176.3038 4499.049       
239.6570 4798.322       260.2802 146.3411 3.900722 151.1237 4.102322 -4.782623 
5.660802 
1 1 1 6   8   5  o 274.7885 2.834172  15789.17       313.4895 16124.34       
526.6474 15605.23       390.1371 277.0050 4.528490 272.5718 3.409238 4.433197 
5.668344 
1 1 1 6   8   6  o 204.0382 3.171344  8735.693       270.9194 8586.728       
368.3208 8911.299       399.9002 202.1524 4.339787 205.9240 4.625575 -3.771591 
6.342688 
1 1 1 6   8   7  o 169.8501 2.915218  6028.077       194.3189 6154.313       
343.9643 5968.901       235.5002 171.1231 4.787688 168.5771 3.327466 2.545944 
5.830436 
1 1 1 6   8   8  o 313.5722 3.111102  20661.23       409.1597 20657.99       
566.0579 20664.78       592.0985 313.5535 4.300018 313.5909 4.497297 
-0.3741455E-01 6.222205 
1 1 1 6   8   9  o 63.19915 2.256799  798.1927       54.73850 939.1952       
104.0625 744.2538       64.36228 66.86486 3.706955 59.53344 2.575084 7.331417 
4.513599 
1 1 1 6   8   10 o 436.8944 4.078783  40017.90       694.9727 40464.17       
1241.660 39814.32       838.6432 438.5227 6.744219 435.2661 4.589269 3.256683 
8.157566 
1 1 1 6   8   11 o 228.5374 2.800252  11010.17       244.3203 10883.55       
450.7836 11062.84       290.7242 227.5639 4.718303 229.5110 3.017163 -1.947098 
5.600505 
1 1 1 6   8   12 o 110.2578 2.489723  2609.634       111.4858 2307.628       
175.9908 2812.057       144.0826 104.8020 3.999829 115.7135 2.965848 -10.91142 
4.979446 
1 1 1 6   8   13 o 323.7836 3.957741  21909.55       479.8586 22345.97       
921.0885 21746.98       562.1748 325.8567 6.732800 321.7105 4.162241 4.146210 
7.915482 
1 1 1 6   8   14 o 217.2524 4.208926  9748.249       347.2095 10349.53       
657.6746 9515.904       408.8257 221.7217 7.065192 212.7830 4.576383 8.938660 
8.417851 
1 1 1 6   8   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   8   16 o 300.1095 5.312830  18943.48       635.6658 19081.88       
1086.495 18871.46       783.8152 300.7688 8.604310 299.4502 6.234623 1.318604 
10.62566 
1 1 1 6   8   17 o 389.1054 9.385630  32298.20       1455.392 31845.03       
2473.763 32538.09       1799.847 386.2162 15.25628 391.9946 10.93646 -5.778351 
18.77126 
1 1 1 6   8   18 o 129.4865 3.284901  3587.166       166.1940 3355.737       
289.9312 3700.423       202.8234 126.2767 5.468810 132.6963 3.640661 -6.419624 
6.569801 
1 1 1 6   8   19 o 172.3735 4.156595  6275.397       282.4677 6209.706       
491.6339 6307.769       345.1166 171.5955 6.824284 173.1515 4.747451 -1.556061 
8.313190 
1 1 1 6   8   20 o 265.6306 4.801028  14915.87       509.0860 14824.11       
864.7144 14964.55       629.8018 264.7741 7.778902 266.4871 5.629226 -1.713043 
9.602057 
1 1 1 6   8   21 o 315.6986 7.612628  21416.30       877.7361 21007.37       
1729.502 21558.16       1018.672 312.3083 13.19042 319.0889 7.604031 -6.780640 
15.22526 
1 1 1 6   8   22 f 188.8829 4.190840  7115.500       244.9230 8179.669       
628.1044 6924.674       265.9777 196.3457 7.619588 181.4201 3.492054 14.92560 
8.381680 
1 1 1 6   8   23 o 152.7642 2.624767  4859.724       145.0204 5021.715       
294.5356 4807.886       166.6162 154.3070 4.546461 151.2215 2.624368 3.085464 
5.249534 
1 1 1 6   8   24 o 108.2111 2.926167  2480.093       116.0940 2446.675       
228.2974 2491.749       134.8284 107.5973 5.053830 108.8248 2.951036 -1.227493 
5.852334 
1 1 1 6   8   25 o 103.5339 3.272360  2295.546       123.2199 2198.365       
243.3382 2329.058       142.8944 101.8851 5.688801 105.1827 3.235877 -3.297585 
6.544720 
1 1 1 6   8   26 o 144.9996 4.199836  4307.170       202.9677 4704.444       
467.4290 4214.860       225.3178 148.5759 7.493565 141.4232 3.794859 7.152618 
8.399672 
1 1 1 6   8   27 o 59.22025 3.865151  665.0801       84.44579 911.8322       
176.1192 591.4158       96.22878 65.50896 6.403642 52.93152 4.330236 12.57744 
7.730302 
1 1 1 6   8   28 o 134.1716 3.770455  3811.404       174.3186 3832.890       
376.1457 3805.527       196.7187 134.0067 6.685759 134.3364 3.487971 
-0.3297424     7.540910 
1 1 1 6   8   29 o 107.0006 3.675438  2555.464       147.1847 2156.016       
267.8355 2728.281       176.1697 100.3706 6.355982 113.6305 3.692813 -13.25989 
7.350875 
1 1 1 6   8   30 o 92.20938 3.423074  1890.348       118.8797 1618.351       
215.0207 2010.092       142.6675 86.91390 5.892670 97.50485 3.485138 -10.59095 
6.846148 
1 1 1 6   8   31 o 20.79753 6.022960  40.56062       72.87937 65.51599       
151.4225 33.03691       83.14277 23.82461 9.669102 17.77046 7.184196 6.054150 
12.04592 
1 1 1 6   8   32 o 95.10561 3.634851  1975.508       122.2225 1888.529       
250.3760 2002.719       140.0420 93.07224 6.407572 97.13898 3.433885 -4.066734 
7.269701 
1 1 1 6   8   33 o 64.54522 4.774765  948.5698       117.6002 851.6008       
209.5259 993.1658       142.0920 61.30992 8.140067 67.78053 4.993278 -6.470608 
9.549529 
1 1 1 6   8   34 o 20.29012 8.503501  37.80164       121.9846 0.000000       
0.000000 37.80164       121.9846 ?        ?        20.29012 8.503501 ? ? 
1 1 1 6   8   35 o 25.94839 6.979668  142.7494       96.45950 130.7930       
196.0021 146.5707       110.8069 26.73418 10.95000 25.16261 8.657974 1.571571 
13.95934 
1 1 1 6   8   36 o 21.95773 6.621038  56.76486       92.84319 78.43530       
196.7641 50.55824       105.3027 24.50062 10.55128 19.41483 8.001447 5.085791 
13.24208 
1 1 1 6   8   37 o 32.22115 6.974220  283.2775       97.35493 264.7127       
197.7809 289.2141       111.8429 30.55595 11.43780 33.88635 7.983464 -3.330399 
13.94844 
1 1 1 6   8   38 o 25.66292 6.883621  170.3074       95.97971 185.0629       
183.4693 164.7477       112.6194 26.30140 10.65598 25.02444 8.717060 1.276955 
13.76724 
1 1 1 6   8   39 o 19.82049 6.177712  55.70374       100.4323 -72.07030      
197.5466 100.2407       116.6295 18.83495 8.993662 20.80603 8.471749 -1.971073 
12.35542 
1 1 1 6   9   0  o 323.5078 2.444381  21863.26       322.7307 22487.43       
525.1918 21484.57       409.0811 327.1749 3.823482 319.8408 3.046469 7.334137 
4.888761 
1 1 1 6   9   1  o 276.9528 2.851782  15990.12       295.8494 15841.12       
346.4889 16391.06       568.3727 274.6418 3.004995 279.2636 4.847746 -4.621796 
5.703564 
1 1 1 6   9   2  f 49.65752 2.298024  518.0908       47.87014 522.6811       
66.53715 513.1654       68.92309 49.88621 3.176908 49.42882 3.321280 0.4573898 
4.596047 
1 1 1 6   9   3  o 151.2149 2.449915  4809.729       155.3012 4632.706       
223.0671 4976.243       216.3453 148.5078 3.577728 153.9220 3.347865 -5.414154 
4.899830 
1 1 1 6   9   4  o 218.9202 2.890231  10061.03       265.4961 10307.11       
383.3014 9834.086       368.0964 221.4897 4.122000 216.3507 4.052512 5.138977 
5.780461 
1 1 1 6   9   5  o 171.9357 2.499110  6153.857       170.4996 6378.884       
296.3922 6042.566       208.4404 174.2464 4.051576 169.6251 2.926933 4.621277 
4.998220 
1 1 1 6   9   6  o 104.3533 2.575088  2277.983       112.1877 2373.710       
169.1921 2202.868       149.8733 106.2987 3.791169 102.4079 3.485878 3.890839 
5.150176 
1 1 1 6   9   7  o 106.9626 2.399245  2369.611       99.54626 2490.219       
181.3000 2317.557       119.1062 108.8722 3.966448 105.0530 2.700518 3.819206 
4.798490 
1 1 1 6   9   8  f 331.4249 2.844871  23044.10       394.6039 22676.26       
535.2919 23481.91       583.9913 328.5420 3.880796 334.3078 4.160839 -5.765808 
5.689742 
1 1 1 6   9   9  o 443.1478 4.200599  40899.65       693.2412 42167.84       
1345.892 40441.69       808.7818 447.5924 7.162235 438.7031 4.391185 8.889374 
8.401197 
1 1 1 6   9   10 o 135.9412 2.211264  3893.398       124.1133 3813.029       
192.9195 3950.151       162.1169 134.7339 3.410518 137.1486 2.815516 -2.414658 
4.422529 
1 1 1 6   9   11 o 378.5002 4.931753  30317.60       748.9119 29581.76       
1252.770 30726.81       934.2227 374.7572 7.962372 382.2432 5.821457 -7.485962 
9.863505 
1 1 1 6   9   12 o 87.76733 2.415950  1548.028       80.24021 1779.841       
155.5690 1464.005       93.66001 92.03937 4.025970 83.49529 2.671858 8.544075 
4.831901 
1 1 1 6   9   13 o 488.4178 7.642656  50351.64       1183.034 50486.66       
2848.786 50323.51       1300.473 487.7654 13.91137 489.0702 6.333607 -1.304749 
15.28531 
1 1 1 6   9   14 o 204.3662 4.682172  8799.303       370.9626 8765.078       
667.4452 8814.600       446.2335 203.9775 7.793891 204.7550 5.190973 
-0.7774200     9.364345 
1 1 1 6   9   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   9   16 o 134.1658 3.747645  3814.659       197.6183 3702.364       
344.3370 3869.811       241.3161 132.6372 6.183574 135.6945 4.235894 -3.057312 
7.495290 
1 1 1 6   9   17 o 139.7973 2.719143  4176.732       155.2469 3774.502       
243.2030 4453.351       201.6842 134.0003 4.322990 145.5943 3.299503 -11.59401 
5.438287 
1 1 1 6   9   18 o 87.58078 3.389420  1656.922       111.7163 1513.543       
206.6647 1716.117       132.7901 84.79169 5.805425 90.36987 3.499960 -5.578171 
6.778841 
1 1 1 6   9   19 o 84.11795 3.271314  1364.089       95.86689 1717.488       
214.7555 1276.140       107.1338 90.30818 5.664196 77.92773 3.274579 12.38046 
6.542628 
1 1 1 6   9   20 o 98.46541 2.910573  1995.609       94.85822 2111.179       
219.1562 1968.966       105.2257 100.1211 5.213737 96.80968 2.588953 3.311455 
5.821145 
1 1 1 6   9   21 o 138.4895 2.862318  3831.726       131.2291 4373.797       
308.5265 3711.996       144.9992 144.0678 5.100899 132.9112 2.598515 11.15660 
5.724635 
1 1 1 6   9   22 o 161.4691 3.347125  5489.743       203.7973 5508.622       
385.1019 5482.399       240.1868 161.5166 5.679101 161.4215 3.544122 
0.9503174E-01  6.694251 
1 1 1 6   9   23 o 134.8359 3.387891  3647.916       144.6852 4129.130       
359.1825 3554.708       158.0776 139.6641 6.125642 130.0078 2.896156 9.656281 
6.775781 
1 1 1 6   9   24 o 65.28101 3.495228  864.1360       83.11762 973.8931       
170.3211 829.8267       95.22657 67.79565 5.983948 62.76636 3.613701 5.029285 
6.990456 
1 1 1 6   9   25 o 67.58723 3.350788  901.8304       84.99015 1107.325       
169.1481 832.4282       98.29991 72.32194 5.570807 62.85254 3.725215 9.469398 
6.701575 
1 1 1 6   9   26 o 179.5340 3.858238  6761.458       250.1400 6937.410       
507.8525 6705.101       287.4224 180.7007 6.694201 178.3673 3.838189 2.333420 
7.716477 
1 1 1 6   9   27 o 141.2294 3.262959  4208.984       179.8991 4223.897       
320.0447 4202.096       217.5151 141.2517 5.396821 141.2072 3.669050 
0.4449463E-01  6.525918 
1 1 1 6   9   28 o 61.26907 3.799003  729.7473       85.88232 939.5620       
177.1523 665.2854       98.19292 66.41814 6.353032 56.12001 4.167576 10.29813 
7.598007 
1 1 1 6   9   29 o 25.20942 6.021583  113.3685       72.38657 188.0240       
128.3672 78.56066       87.65192 29.42633 9.299642 20.99250 7.652091 8.433826 
12.04317 
1 1 1 6   9   30 o 59.58178 3.948249  712.4948       86.53938 856.5220       
176.8403 667.1426       99.23338 63.07416 6.678069 56.08940 4.214034 6.984760 
7.896498 
1 1 1 6   9   31 o 122.8718 3.571944  3258.130       160.9482 3159.574       
314.2017 3293.190       187.4020 121.0566 6.182173 124.6870 3.579925 -3.630432 
7.143887 
1 1 1 6   9   32 o 19.72542 5.879043  31.96507       73.66525 -16.47458      
156.1262 45.83723       83.55018 20.99427 9.219781 18.45657 7.297137 2.537708 
11.75809 
1 1 1 6   9   33 o 33.92396 7.233791  242.6344       104.7277 390.0396       
194.2117 182.1969       124.3577 39.63009 11.18535 28.21783 9.175996 11.41225 
14.46758 
1 1 1 6   9   34 o 22.13167 6.721085  34.09986       102.6062 38.24471       
195.0428 32.51384       120.6506 24.23548 10.47182 20.02785 8.428109 4.207624 
13.44217 
1 1 1 6   9   35 o 27.21960 6.750341  176.4507       96.44907 119.2852       
161.4734 208.1584       120.2587 25.28790 10.09817 29.15131 8.960771 -3.863411 
13.50068 
1 1 1 6   9   36 o 22.64742 7.442558  -61.71167      164.1738 -21.09512      
198.8463 -148.6866      290.9799 21.96589 9.968835 23.32895 11.05391 -1.363064 
14.88512 
1 1 1 6   9   37 o 42.23729 6.682828  549.2177       113.0636 282.4440       
220.8982 643.9139       131.6095 31.34574 11.99277 53.12883 5.900354 -21.78309 
13.36566 
1 1 1 6   9   38 o 29.72297 6.130790  266.9282       96.15678 39.63802       
183.5839 352.8569       112.8791 21.85941 9.763709 37.58653 7.417299 -15.72712 
12.26158 
1 1 1 6   9   39 o 21.90472 6.573260  106.7373       105.7879 -6.218842      
210.5656 144.8736       122.3496 20.63314 9.668011 23.17631 8.908454 -2.543177 
13.14652 
1 1 1 6   10  0  o 463.6489 2.913427  45151.67       566.4667 44864.84       
781.4476 45469.29       822.3243 462.1069 4.027898 465.1909 4.210494 -3.083984 
5.826853 
1 1 1 6   10  1  o 90.90100 1.920203  1729.630       73.15217 1641.227       
99.90051 1831.830       107.4131 88.40508 2.691606 93.39693 2.739340 -4.991844 
3.840407 
1 1 1 6   10  2  o 47.70324 2.347853  477.9264       47.01134 476.2487       
65.74659 479.6816       67.24695 47.61784 3.288702 47.78863 3.351730 
-0.1707840     4.695706 
1 1 1 6   10  3  o 254.0424 2.908670  13562.44       310.0792 13662.11       
432.7961 13457.31       444.4733 255.0055 4.042545 253.0793 4.183214 1.926178 
5.817340 
1 1 1 6   10  4  o 15.38984 4.078976  32.06598       36.66762 8.851176       
50.46676 58.02503       53.36633 13.31739 5.518162 17.46230 6.008500 -4.144904 
8.157951 
1 1 1 6   10  5  o 240.8133 2.903196  12089.70       260.5536 12388.90       
504.6018 11980.92       304.2520 242.7813 4.950564 238.8453 3.034155 3.935989 
5.806392 
1 1 1 6   10  6  o 228.1660 3.247229  10598.21       205.7597 11402.66       
592.2819 10487.80       219.4264 232.8431 6.058793 223.4888 2.338590 9.354309 
6.494457 
1 1 1 6   10  7  o 149.3948 2.953099  4377.894       152.1815 5246.467       
342.2260 4163.807       169.9045 157.9817 5.159733 140.8079 2.874080 17.17383 
5.906199 
1 1 1 6   10  8  o 491.3624 6.213355  49939.10       999.7537 52417.00       
2336.701 49383.87       1106.105 498.0714 11.17462 484.6534 5.436085 13.41803 
12.42671 
1 1 1 6   10  9  o 156.7777 2.644662  5078.370       144.5858 5316.761       
310.5952 5012.419       163.3661 159.0562 4.651202 154.4992 2.518586 4.556976 
5.289324 
1 1 1 6   10  10 o 239.9868 3.154467  12029.81       293.2999 12291.93       
531.7535 11915.19       351.6246 241.8061 5.237984 238.1675 3.516558 3.638565 
6.308934 
1 1 1 6   10  11 o 402.6008 5.907188  34055.39       928.7496 34422.97       
1654.655 33886.32       1122.199 403.9053 9.757733 401.2962 6.660791 2.609131 
11.81438 
1 1 1 6   10  12 o 329.1157 5.403803  22980.34       668.7044 22429.00       
1260.802 23196.14       788.7898 326.1087 9.208857 332.1227 5.656969 -6.014069 
10.80761 
1 1 1 6   10  13 o 164.4973 2.127065  5701.409       140.5928 5619.855       
235.0665 5746.830       175.4290 163.5659 3.423095 165.4286 2.525876 -1.862671 
4.254131 
1 1 1 6   10  14 o 221.3467 2.181009  10285.42       202.4377 10188.68       
278.9590 10393.04       294.2313 220.2505 3.016786 222.4429 3.150586 -2.192429 
4.362017 
1 1 1 6   10  15 o 350.3813 4.442684  25843.27       653.1473 25557.98       
936.8602 26113.06       911.0596 348.4825 6.403464 352.2801 6.159986 -3.797668 
8.885368 
1 1 1 6   10  16 o 170.3527 2.790296  6099.223       199.4470 6067.857       
286.5765 6128.687       277.7518 169.9246 4.017032 170.7808 3.873816 
-0.8561249     5.580591 
1 1 1 6   10  17 o 116.2748 3.347287  2921.295       130.9983 2711.971       
286.4448 2976.653       147.3051 113.5083 6.010828 119.0413 2.947414 -5.532959 
6.694573 
1 1 1 6   10  18 o 192.7633 3.307401  7797.392       262.8376 7906.271       
414.1199 7723.945       340.1253 193.8542 5.088290 191.6724 4.226690 2.181824 
6.614801 
1 1 1 6   10  19 o 110.4533 2.339622  2571.827       107.8624 2482.370       
159.8517 2646.604       146.1485 108.6770 3.503488 112.2296 3.101758 -3.552605 
4.679245 
1 1 1 6   10  20 o 187.4068 3.084203  7402.430       241.5171 7251.154       
357.4140 7529.552       327.6385 185.6188 4.586388 189.1948 4.124837 -3.576065 
6.168406 
1 1 1 6   10  21 o 109.9284 2.318508  2545.454       106.4512 2492.143       
157.8939 2589.879       144.1345 108.8615 3.454715 110.9953 3.093034 -2.133774 
4.637015 
1 1 1 6   10  22 o 56.41470 2.597552  670.5040       61.24517 661.4362       
90.70448 678.1023       83.03085 56.05672 3.854093 56.77269 3.483542 
-0.7159729     5.195103 
1 1 1 6   10  23 o 55.85785 2.436439  664.9794       56.06265 517.9625       
79.31156 811.7961       79.25758 49.59299 3.809231 62.12271 3.038866 -12.52973 
4.872879 
1 1 1 6   10  24 o 71.74960 2.422382  1096.010       72.10036 980.1763       
106.8250 1192.927       97.71376 68.20861 3.730393 75.29060 3.091263 -7.081993 
4.844765 
1 1 1 6   10  25 o 197.7480 2.434362  8236.549       202.0250 8193.150       
289.3750 8277.814       282.1741 197.2300 3.494694 198.2660 3.389925 -1.036011 
4.868724 
1 1 1 6   10  26 o 172.9942 2.630084  6316.133       189.6575 6214.730       
284.5355 6397.205       254.4171 171.7021 3.947135 174.2863 3.476994 -2.584259 
5.260168 
1 1 1 6   10  27 o 89.26599 1.886055  1677.558       70.48074 1656.746       
103.3254 1695.668       96.38571 88.74033 2.773366 89.79164 2.556806 -1.051308 
3.772110 
1 1 1 6   10  28 o 123.7712 3.566344  3033.813       145.6656 3596.073       
346.3630 2912.999       160.5546 129.9621 6.347984 117.5804 3.252437 12.38176 
7.132689 
1 1 1 6   10  29 o 143.4248 3.912875  4439.124       212.2310 4234.996       
393.3144 4522.973       252.0785 140.6230 6.661999 146.2266 4.106110 -5.603607 
7.825750 
1 1 1 6   10  30 o 86.99922 3.539973  1672.171       113.0901 1481.950       
215.1063 1744.832       132.9463 83.13830 6.162729 90.86015 3.485169 -7.721848 
7.079946 
1 1 1 6   10  31 o 107.1615 2.967731  2496.359       116.6187 2321.531       
225.3983 2560.266       136.2766 104.2143 5.151628 110.1087 2.947955 -5.894379 
5.935462 
1 1 1 6   10  32 o 109.9415 3.404560  2585.507       132.2662 2593.985       
274.8654 2582.952       150.8839 109.4664 5.980813 110.4166 3.254841 
-0.9501648     6.809119 
1 1 1 6   10  33 f 39.80697 7.135869  388.0009       112.7383 357.5140       
209.6902 400.3966       133.7072 37.94302 11.86690 41.67092 7.928373 -3.727898 
14.27174 
1 1 1 6   10  34 o 77.50540 4.598878  1324.005       132.4326 1357.761       
255.3865 1311.589       154.8842 77.16862 7.882758 77.84217 4.739289 
-0.6735458     9.197757 
1 1 1 6   10  35 o 49.77675 5.389413  553.9147       107.2036 630.5709       
186.1597 515.8804       131.1292 51.67725 8.580394 47.87626 6.523797 3.800995 
10.77883 
1 1 1 6   10  36 f 39.62680 7.090248  336.3298       109.7761 638.4647       
215.9822 231.0920       127.4687 49.05912 10.77895 30.19448 9.214161 18.86465 
14.18050 
1 1 1 6   10  37 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   10  38 o 29.37697 6.508423  247.6493       111.8394 -23.58439      
197.7235 375.2556       135.6196 20.97734 9.663239 37.77660 8.721246 -16.79926 
13.01685 
1 1 1 6   10  39 o 21.31694 6.561581  74.31164       114.3335 -68.23948      
206.8409 137.0309       137.1991 19.52068 9.282642 23.11320 9.276309 -3.592524 
13.12316 
1 1 1 6   11  0  o 390.3953 2.409009  32004.31       394.3326 31840.28       
543.3868 32186.80       573.1432 389.3448 3.324266 391.4459 3.487486 -2.101166 
4.818018 
1 1 1 6   11  1  f 316.5095 2.156461  20951.03       281.7184 20569.57       
364.7482 21515.04       443.5251 312.9672 2.775975 320.0518 3.300798 -7.084625 
4.312923 
1 1 1 6   11  2  o 218.6634 2.367522  10042.83       217.3162 9826.239       
306.4513 10261.93       308.2193 216.2908 3.374773 221.0360 3.321376 -4.745193 
4.735043 
1 1 1 6   11  3  o 166.5880 1.787910  5833.812       115.8863 5810.716       
207.2000 5844.325       139.7959 166.3372 2.967026 166.8388 1.995807 
-0.5015717     3.575819 
1 1 1 6   11  4  o 427.9229 3.262184  38358.02       559.9795 38904.36       
946.4167 38063.72       694.6170 430.1903 5.240139 425.6555 3.886943 4.534760 
6.524369 
1 1 1 6   11  5  o 189.3089 2.279686  7498.449       176.5398 7653.185       
284.9968 7402.107       224.8799 190.8763 3.556387 187.7414 2.853065 3.134872 
4.559371 
1 1 1 6   11  6  o 297.7214 4.255584  17847.58       289.4583 19609.75       
1043.251 17700.60       301.2875 305.1077 8.144353 290.3351 2.471739 14.77255 
8.511168 
1 1 1 6   11  7  o 333.4862 4.911374  23355.77       638.9984 23539.07       
1139.850 23271.76       771.6555 334.2824 8.121860 332.6900 5.524651 1.592407 
9.822747 
1 1 1 6   11  8  o 540.9045 8.205628  61943.96       1775.639 61567.46       
3001.721 62146.64       2202.274 539.0489 13.26366 542.7601 9.664613 -3.711182 
16.41126 
1 1 1 6   11  9  o 96.81008 2.158034  1859.425       71.30222 2158.393       
161.6005 1787.151       79.45454 101.3615 3.797438 92.25868 2.051316 9.102798 
4.316067 
1 1 1 6   11  10 o 301.5326 3.504871  18551.82       393.6688 20326.67       
774.9758 17934.57       457.0256 310.8805 5.937665 292.1847 3.725668 18.69586 
7.009741 
1 1 1 6   11  11 o 359.4396 4.760901  27061.73       537.9877 27380.36       
1313.095 26997.45       589.7592 360.4088 8.678045 358.4703 3.918705 1.938568 
9.521803 
1 1 1 6   11  12 o 139.1583 2.105606  4060.600       122.5825 4141.753       
181.9316 3993.126       165.8922 140.4271 3.085876 137.8895 2.865601 2.537537 
4.211212 
1 1 1 6   11  13 f 257.3856 2.674088  13925.79       288.2051 14028.23       
394.3770 13808.38       422.2124 258.4102 3.635156 256.3611 3.922835 2.049133 
5.348176 
1 1 1 6   11  14 o 290.5824 4.533530  17875.98       523.2780 17437.07       
893.9662 18104.75       645.3967 287.7320 7.400380 293.4327 5.238890 -5.700684 
9.067060 
1 1 1 6   11  15 o 179.5528 1.966399  6770.156       148.1869 6740.514       
206.8166 6801.432       212.4320 179.1499 2.749728 179.9557 2.811743 
-0.8057251     3.932798 
1 1 1 6   11  16 o 340.5901 3.753703  24126.72       473.8373 24978.07       
927.8224 23826.33       551.1274 344.4559 6.415822 336.7243 3.898510 7.731537 
7.507406 
1 1 1 6   11  17 o 431.9945 3.314576  39248.28       599.2943 39159.18       
882.3890 39324.58       816.5007 431.5098 4.870690 432.4792 4.496891 
-0.9693909     6.629152 
1 1 1 6   11  18 o 51.98260 2.836934  558.7547       61.40031 660.4106       
93.83818 482.6481       81.19408 56.04982 3.987736 47.91538 4.036180 8.134438 
5.673869 
1 1 1 6   11  19 o 192.6945 3.179874  7828.885       255.4106 7654.050       
382.5461 7969.504       343.0787 190.7227 4.777519 194.6662 4.197824 -3.943481 
6.359749 
1 1 1 6   11  20 o 109.3603 2.313962  2517.287       106.0799 2435.477       
152.6946 2593.606       147.4805 107.6357 3.379002 111.0849 3.162282 -3.449196 
4.627924 
1 1 1 6   11  21 o 155.8346 2.446403  5094.405       158.4851 5195.680       
242.7598 5019.177       209.2243 157.1624 3.679164 154.5067 3.225416 2.655685 
4.892807 
1 1 1 6   11  22 o 162.3158 2.036643  5535.499       138.4258 5588.380       
203.6974 5490.120       188.6900 163.0272 2.976093 161.6045 2.781100 1.422699 
4.073285 
1 1 1 6   11  23 o 44.64858 2.859462  410.5086       52.95951 507.5797       
81.89091 340.7247       69.43346 49.08570 3.973761 40.21146 4.112823 8.874241 
5.718924 
1 1 1 6   11  24 o 127.7888 2.152569  3433.893       115.4434 3345.905       
160.6420 3527.864       166.0137 126.0982 3.034391 129.4795 3.053963 -3.381371 
4.305139 
1 1 1 6   11  25 o 37.64472 4.037208  317.6461       59.40030 222.9182       
87.29688 399.3198       81.05895 31.79209 6.744910 43.49734 4.438736 -11.70525 
8.074415 
1 1 1 6   11  26 o 116.3749 1.901336  2858.516       92.56371 2672.795       
133.6495 3029.728       128.3227 112.7176 2.824209 120.0322 2.546401 -7.314636 
3.802671 
1 1 1 6   11  27 o 92.05981 2.342770  1790.161       89.70000 1742.555       
135.5043 1827.293       119.6752 90.94565 3.548887 93.17397 3.059360 -2.228325 
4.685540 
1 1 1 6   11  28 o 68.35119 2.730211  980.9315       77.91671 1030.664       
117.5886 942.0037       104.0339 69.87418 4.008388 66.82819 3.707971 3.045990 
5.460423 
1 1 1 6   11  29 o 75.94663 2.288095  1220.680       72.69366 1123.596       
104.1246 1312.992       101.5331 72.97219 3.398731 78.92107 3.064333 -5.948883 
4.576190 
1 1 1 6   11  30 o 51.59180 3.099653  561.3619       66.88724 603.0908       
100.0254 527.6095       89.95901 53.30496 4.469551 49.87863 4.295871 3.426334 
6.199306 
1 1 1 6   11  31 o 78.55363 3.701959  1385.520       100.8293 1199.287       
206.8136 1443.589       115.4840 74.48971 6.613083 82.61757 3.329435 -8.127861 
7.403918 
1 1 1 6   11  32 o 71.06275 3.818854  1102.472       112.0981 919.9822       
163.1519 1265.657       154.2809 65.22166 5.958286 76.90384 4.778430 -11.68217 
7.637707 
1 1 1 6   11  33 o 85.62713 4.431350  1627.127       142.9013 1549.823       
265.1934 1658.758       169.6364 83.36446 7.577098 87.88980 4.597287 -4.525345 
8.862700 
1 1 1 6   11  34 o 49.23506 6.785570  665.6030       121.4012 393.1297       
223.8860 779.0858       144.4874 38.87891 12.28098 59.59121 5.775225 -20.71230 
13.57114 
1 1 1 6   11  35 o 42.51211 6.757477  490.7768       113.7169 320.9476       
208.2220 562.9594       135.7491 34.93657 11.87354 50.08764 6.455466 -15.15107 
13.51495 
1 1 1 6   11  36 o 59.34476 5.539417  729.4911       125.7506 1102.174       
248.1345 600.6967       145.8700 67.49134 8.757097 51.19817 6.786295 16.29317 
11.07883 
1 1 1 6   11  37 o 23.99484 7.062141  103.3796       110.3399 84.02814       
209.4649 110.8116       129.8105 24.80668 10.78705 23.18300 9.117835 1.623674 
14.12428 
1 1 1 6   11  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   11  39 o 17.77859 6.055612  -111.1538      122.7496 -116.8465      
221.4820 -108.6300      147.4699 19.39441 9.323311 16.16276 7.730306 3.231647 
12.11122 
1 1 1 6   12  0  f 292.2480 1.683162  17531.42       176.9258 18718.14       
365.3069 17167.75       202.2263 298.5410 2.914573 285.9551 1.684460 12.58588 
3.366325 
1 1 1 6   12  1  o 104.6570 1.478352  2299.380       62.27875 2301.272       
104.1197 2298.327       77.71368 104.6869 2.368980 104.6271 1.769190 
0.5986786E-01  2.956704 
1 1 1 6   12  2  o 262.6477 2.046214  14416.13       218.1137 14763.75       
359.6712 14213.92       274.3084 265.1250 3.231291 260.1705 2.511320 4.954468 
4.092429 
1 1 1 6   12  3  o 142.8495 2.004664  4285.094       96.79008 4286.009       
214.5982 4284.861       108.4472 142.8407 3.578451 142.8583 1.808147 
-0.1760864E-01 4.009327 
1 1 1 6   12  4  o 98.94756 2.013852  1986.758       70.64676 2186.429       
149.9986 1929.840       80.08543 102.0235 3.501936 95.87161 1.989686 6.151878 
4.027705 
1 1 1 6   12  5  o 70.37679 1.912622  1067.639       53.36585 952.1815       
89.24448 1131.903       66.58117 67.33167 3.157062 73.42192 2.159965 -6.090256 
3.825244 
1 1 1 6   12  6  o 293.0458 3.948225  18167.62       447.3247 17771.73       
805.1498 18344.38       537.9968 290.6253 6.598791 295.4662 4.337035 -4.840942 
7.896450 
1 1 1 6   12  7  f 152.3216 2.269284  4762.414       137.1973 5208.617       
241.1873 4548.962       166.8160 157.4639 3.648332 147.1792 2.699680 10.28473 
4.538568 
1 1 1 6   12  8  o 274.2220 2.568061  15596.91       279.8339 16409.34       
486.6869 15195.66       342.0244 279.4594 4.148127 268.9846 3.028661 10.47476 
5.136122 
1 1 1 6   12  9  o 354.4258 3.004222  26068.14       388.0135 27055.30       
780.3484 25743.92       447.2169 358.7428 5.181153 350.1088 3.042540 8.634003 
6.008444 
1 1 1 6   12  10 o 64.34806 1.866739  869.5123       50.38686 918.9169       
71.77934 821.5179       70.74743 66.15053 2.584564 62.54560 2.694232 3.604931 
3.733478 
1 1 1 6   12  11 o 463.8636 4.294431  45273.21       825.0256 45330.80       
1081.954 45193.20       1275.255 464.2956 5.550542 463.4316 6.554391 0.8639832 
8.588862 
1 1 1 6   12  12 o 176.1957 1.895924  6516.229       140.1925 6778.514       
200.5769 6265.713       196.0258 179.6610 2.659183 172.7304 2.703120 6.930573 
3.791848 
1 1 1 6   12  13 f 243.4359 3.447349  12389.22       345.9848 12812.79       
547.5377 12107.68       446.3995 246.8503 5.283254 240.0215 4.429907 6.828766 
6.894698 
1 1 1 6   12  14 o 113.9898 3.962701  2730.285       189.6427 0.000000       
0.000000 2730.285       189.6427 ?        ?        113.9898 3.962701 ? ? 
1 1 1 6   12  15 o 280.4480 2.336741  16548.94       273.0028 16301.41       
410.9066 16744.55       365.2774 278.5542 3.513617 282.3418 3.081547 -3.787598 
4.673482 
1 1 1 6   12  16 o 150.2986 2.378964  4735.826       147.7844 4802.474       
230.9409 4689.607       192.3177 151.1817 3.638503 149.4154 3.065808 1.766251 
4.757928 
1 1 1 6   12  17 o 246.0757 3.108924  12601.10       312.5811 13285.70       
509.8507 12188.81       395.6632 251.3357 4.831810 240.8157 3.913469 10.52003 
6.217848 
1 1 1 6   12  18 o 111.4746 1.818059  2603.729       84.32487 2657.326       
128.7243 2563.439       111.6060 112.4727 2.726053 110.4764 2.406241 1.996315 
3.636119 
1 1 1 6   12  19 o 153.5012 1.815187  4939.750       115.8394 5020.450       
177.2610 4879.599       153.0385 154.5859 2.731269 152.4164 2.391608 2.169418 
3.630375 
1 1 1 6   12  20 o 95.08134 1.920205  1892.589       76.51013 1765.155       
104.6460 2038.945       112.1463 91.65516 2.719486 98.50754 2.711667 -6.852379 
3.840409 
1 1 1 6   12  21 o 236.7123 3.006146  11751.92       285.4084 11944.22       
482.6866 11648.54       353.9036 238.0979 4.828705 235.3268 3.582075 2.771149 
6.012292 
1 1 1 6   12  22 o 152.8855 2.651134  4856.891       164.8993 5169.846       
272.5309 4676.143       207.1143 156.6756 4.143195 149.0955 3.308771 7.580124 
5.302267 
1 1 1 6   12  23 o 148.6542 2.019021  4548.645       122.4458 4256.491       
153.7196 5055.810       202.5341 142.2887 2.573239 155.0197 3.111948 -12.73103 
4.038041 
1 1 1 6   12  24 o 58.40110 2.431763  727.3625       58.86288 626.6054       
86.04706 815.9849       80.69940 54.53345 3.758323 62.26875 3.086891 -7.735291 
4.863526 
1 1 1 6   12  25 o 125.5855 2.029738  3302.331       106.5479 3159.486       
142.9422 3480.926       159.8312 122.5531 2.778161 128.6179 2.959928 -6.064812 
4.059476 
1 1 1 6   12  26 o 63.51667 2.624761  856.9656       69.10548 800.7072       
104.4224 900.8045       92.17859 61.62532 4.036043 65.40802 3.356759 -3.782703 
5.249521 
1 1 1 6   12  27 o 144.4336 2.537609  4405.373       153.3908 4247.489       
223.5719 4545.790       210.8420 141.9582 3.751265 146.9090 3.418456 -4.950745 
5.075218 
1 1 1 6   12  28 o 134.0114 1.982466  3777.863       111.4885 3703.146       
154.8620 3858.253       160.6334 132.6397 2.780945 135.3830 2.826133 -2.743362 
3.964932 
1 1 1 6   12  29 o 64.87160 2.651595  891.5630       71.88395 857.9592       
105.6881 920.4904       98.05859 63.70841 3.951396 66.03478 3.536991 -2.326374 
5.303191 
1 1 1 6   12  30 o 83.84457 2.574906  1445.367       88.20385 1662.379       
146.0294 1320.719       110.6735 88.61253 3.925242 79.07661 3.333624 9.535912 
5.149813 
1 1 1 6   12  31 o 102.7800 2.187270  2233.473       94.30135 2141.507       
133.9555 2323.828       132.7768 100.6644 3.169608 104.8955 3.014995 -4.231049 
4.374540 
1 1 1 6   12  32 o 66.69901 3.851338  951.9928       107.5080 1061.711       
158.2634 857.9836       146.4960 70.27253 5.364336 63.12550 5.527669 7.147034 
7.702676 
1 1 1 6   12  33 o 58.56656 3.937027  743.2065       96.69474 793.8573       
138.8639 695.5308       134.7241 60.53667 5.463764 56.59645 5.669921 3.940216 
7.874054 
1 1 1 6   12  34 o 45.90155 6.477378  492.2716       112.1138 516.0939       
207.6826 482.4742       133.1877 45.27827 11.01505 46.52483 6.818680 -1.246567 
12.95476 
1 1 1 6   12  35 o 79.71081 4.659377  1350.894       141.9386 1623.761       
271.2707 1248.027       166.5578 83.99609 7.692454 75.42553 5.259782 8.570557 
9.318753 
1 1 1 6   12  36 o 31.13047 7.160146  262.5947       112.7001 121.2535       
213.4709 317.2128       132.7006 26.68753 11.21975 35.57341 8.898764 -8.885887 
14.32029 
1 1 1 6   12  37 o 37.76914 7.425993  374.3875       113.2826 431.2697       
216.4094 352.9179       132.9534 38.22243 12.07424 37.31585 8.648363 0.9065819 
14.85199 
1 1 1 6   12  38 o 70.15617 4.837697  1120.568       130.6794 1287.943       
242.9390 1052.421       155.0168 72.20746 8.013757 68.10490 5.421525 4.102562 
9.675393 
1 1 1 6   12  39 o 18.74288 6.220388  -49.92086      121.4717 -167.8336      
221.4621 0.8181542      145.2747 18.73262 9.071612 18.75314 8.513446 
-0.2051926E-01 12.44078 
1 1 1 6   12  40 o 22.92521 6.888320  123.7157       129.0888 -100.1094      
234.5005 221.0321       154.6259 19.50407 9.425994 26.34636 10.04721 -6.842287 
13.77664 
1 1 1 6   13  0  o 223.8996 3.192928  10584.87       254.5660 10628.75       
291.4029 10443.49       523.0805 224.9550 3.085456 222.8441 5.590986 2.110870 
6.385857 
1 1 1 6   13  1  o 527.8056 3.257369  57877.18       603.9518 59781.22       
1279.754 57331.62       685.0345 533.1531 5.717361 522.4581 3.123072 10.69507 
6.514738 
1 1 1 6   13  2  o 230.0600 2.017879  11058.98       153.8131 11207.77       
351.3165 11023.70       171.0815 230.9801 3.622806 229.1398 1.778376 1.840317 
4.035758 
1 1 1 6   13  3  o 54.25476 2.000667  642.3815       42.96946 538.5099       
70.65808 703.3396       54.12889 50.63359 3.323872 57.87593 2.227677 -7.242348 
4.001333 
1 1 1 6   13  4  o 248.5284 2.121735  12868.91       214.4953 12567.45       
270.1024 13383.63       352.9315 244.6335 2.629866 252.4232 3.330291 -7.789673 
4.243470 
1 1 1 6   13  5  o 287.6803 3.389359  17202.51       268.9147 17651.22       
771.3165 17140.42       286.9172 289.6556 6.342665 285.7049 2.391993 3.950684 
6.778718 
1 1 1 6   13  6  o 209.5209 2.791335  9188.867       209.9421 9289.162       
428.9952 9157.283       240.7399 210.2235 4.860626 208.8183 2.746000 1.405182 
5.582670 
1 1 1 6   13  7  o 381.1081 3.120284  30526.73       498.0597 30452.20       
729.5753 30591.78       681.5956 380.6580 4.565163 381.5582 4.254878 
-0.9002075     6.240569 
1 1 1 6   13  8  o 525.4304 7.418573  58328.14       1451.389 58264.52       
2794.683 58351.64       1698.388 524.4929 12.69153 526.3679 7.685439 -1.874939 
14.83715 
1 1 1 6   13  9  f 284.9323 3.140329  16984.89       362.5615 16773.94       
455.1139 17351.31       599.8151 282.5618 3.836434 287.3029 4.972771 -4.741089 
6.280659 
1 1 1 6   13  10 o 214.1168 2.189790  9650.707       195.4687 9438.438       
292.6097 9821.769       262.6756 211.9784 3.287898 216.2552 2.893172 -4.276840 
4.379579 
1 1 1 6   13  11 o 584.1053 7.263369  72040.01       1777.660 72377.95       
2599.621 71743.19       2436.301 585.2831 10.57950 582.9276 9.954911 2.355530 
14.52674 
1 1 1 6   13  12 o 273.2857 1.966781  15689.64       224.3115 15727.79       
301.4070 15642.28       335.8257 273.6652 2.623341 272.9063 2.931039 0.7589722 
3.933562 
1 1 1 6   13  13 o 50.44047 2.541012  528.9412       53.49178 615.1083       
80.09633 459.5679       71.86837 54.11072 3.525741 46.77021 3.660071 7.340511 
5.082024 
1 1 1 6   13  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   13  15 f 369.4811 4.605404  28616.31       687.1917 29200.88       
1145.414 28287.57       858.9498 372.2708 7.328658 366.6915 5.579407 5.579285 
9.210809 
1 1 1 6   13  16 o 188.8005 2.395379  7458.292       188.5636 7239.186       
250.7213 7743.608       286.1070 185.6296 3.217103 191.9714 3.549875 -6.341751 
4.790758 
1 1 1 6   13  17 o 149.3724 2.230740  4630.685       131.5598 4854.252       
231.5940 4524.169       159.8567 151.9810 3.629601 146.7637 2.594379 5.217377 
4.461481 
1 1 1 6   13  18 o 101.2085 2.261419  2156.332       95.78165 2097.682       
140.0977 2207.804       131.2465 99.90933 3.339996 102.5076 3.049669 -2.598305 
4.522837 
1 1 1 6   13  19 o 401.8727 4.525925  33603.16       654.7843 34960.61       
1340.820 33178.05       750.3400 406.6516 7.853607 397.0938 4.500762 9.557739 
9.051850 
1 1 1 6   13  20 o 223.3195 3.588127  10360.65       322.6311 11012.56       
546.5000 10011.90       399.7209 228.5345 5.695863 218.1045 4.365293 10.42996 
7.176255 
1 1 1 6   13  21 o 71.40273 2.070846  1070.701       61.92097 1086.158       
91.15881 1057.460       84.37328 71.87744 3.020836 70.92800 2.833403 0.9494400 
4.141693 
1 1 1 6   13  22 o 137.8198 2.383125  3997.742       137.8144 3945.699       
197.4635 4047.167       192.4318 136.9389 3.434637 138.7007 3.304604 -1.761703 
4.766250 
1 1 1 6   13  23 o 237.6716 3.230351  11942.12       321.3441 11532.31       
468.3290 12306.70       441.7346 233.7570 4.772078 241.5862 4.355222 -7.829224 
6.460703 
1 1 1 6   13  24 o 109.3501 2.206652  2463.250       98.18788 2728.504       
163.4296 2313.424       122.8266 113.8304 3.419742 104.8699 2.789735 8.960548 
4.413304 
1 1 1 6   13  25 o 58.81657 2.625622  725.7778       64.58100 762.9517       
96.54652 695.6759       86.87918 60.16712 3.822068 57.46603 3.601021 2.701096 
5.251243 
1 1 1 6   13  26 o 53.14016 2.950594  592.8692       65.61768 663.7823       
96.15067 531.0526       89.77216 56.10625 4.081898 50.17407 4.261705 5.932178 
5.901188 
1 1 1 6   13  27 o 87.97606 2.244081  1610.371       82.39097 1417.446       
110.0620 1856.294       124.2631 82.05095 3.195029 93.90117 3.152044 -11.85022 
4.488161 
1 1 1 6   13  28 o 29.80525 4.675770  183.6332       62.28833 331.4848       
94.06337 68.16814       83.12522 39.51336 5.670191 20.09714 7.436414 19.41621 
9.351541 
1 1 1 6   13  29 o 212.1529 3.522830  9577.675       309.3803 9407.169       
476.7932 9701.673       406.6015 210.3125 5.399904 213.9933 4.525744 -3.680740 
7.045660 
1 1 1 6   13  30 o 66.07220 2.641007  930.2178       72.71748 834.7823       
105.5014 1016.590       100.3668 62.78254 4.002583 69.36187 3.446594 -6.579327 
5.282015 
1 1 1 6   13  31 o 62.97403 2.689342  841.1268       71.01602 792.2874       
100.2954 890.2332       100.5688 61.12254 3.908416 64.82552 3.695203 -3.702976 
5.378684 
1 1 1 6   13  32 o 34.27673 6.178534  272.5410       93.26901 163.7871       
132.1619 380.4447       131.6443 27.65586 9.459539 40.89759 7.950737 -13.24172 
12.35707 
1 1 1 6   13  33 o 92.46661 3.437594  1838.607       133.2463 1816.855       
183.0015 1863.150       194.3914 91.94046 4.740991 92.99277 4.979078 -1.052307 
6.875188 
1 1 1 6   13  34 o 29.46360 6.434582  205.5596       87.43116 208.0547       
119.7876 202.7150       127.9038 29.62457 8.910779 29.30263 9.285117 0.3219376 
12.86916 
1 1 1 6   13  35 o 71.38976 3.784841  1123.587       112.8975 1183.658       
155.3411 1056.335       164.3630 73.60623 5.026814 69.17329 5.659612 4.432938 
7.569681 
1 1 1 6   13  36 f 24.41296 6.865049  107.8474       101.7177 153.1937       
169.8475 82.48882       127.0136 26.67188 10.44536 22.15405 8.911227 4.517824 
13.73010 
1 1 1 6   13  37 o 69.38557 6.138911  1282.821       149.1941 896.3376       
256.8518 1479.616       183.2839 57.45713 11.04176 81.31402 5.368834 -23.85689 
12.27782 
1 1 1 6   13  38 o 39.27063 7.549512  435.3633       119.5503 450.4645       
233.6080 430.0051       139.1526 37.44379 12.57653 41.09746 8.355327 -3.653671 
15.09902 
1 1 1 6   13  39 o 43.75736 7.423746  490.5901       124.5522 809.3531       
239.7422 372.7473       145.7680 51.28032 11.43098 36.23441 9.475267 15.04591 
14.84749 
1 1 1 6   13  40 o 19.87317 6.573766  -6.810483      125.3638 73.12471       
226.3359 -42.18652      150.5702 22.33519 10.30775 17.41114 8.161369 4.924042 
13.14753 
1 1 1 6   14  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   14  1  o 409.7729 4.589817  35359.82       789.1408 34309.22       
1123.426 36383.13       1108.746 403.7384 6.627741 415.8073 6.351277 -12.06885 
9.179633 
1 1 1 6   14  2  o 294.4044 1.731316  18224.70       212.4032 18000.77       
319.4785 18402.10       284.3482 292.7749 2.599136 296.0339 2.287863 -3.259064 
3.462632 
1 1 1 6   14  3  o 88.14172 1.733023  1629.685       61.48377 1637.491       
102.9008 1625.351       76.67595 88.30131 2.775702 87.98213 2.075801 0.3191757 
3.466046 
1 1 1 6   14  4  o 38.38430 2.671486  335.5612       38.87903 241.4227       
65.79218 386.0746       48.19409 33.89193 4.623800 42.87668 2.677280 -8.984749 
5.342973 
1 1 1 6   14  5  o 141.3624 2.374547  4133.246       119.8391 4320.110       
248.8654 4076.835       136.7365 143.3870 4.134049 139.3378 2.337420 4.049240 
4.749094 
1 1 1 6   14  6  o 176.2877 2.198616  6394.092       139.1841 6785.136       
287.6286 6274.527       159.0453 179.7107 3.812231 172.8647 2.191470 6.846054 
4.397232 
1 1 1 6   14  7  o 145.9632 2.040623  4488.971       113.8261 4439.453       
209.6969 4509.656       135.5309 145.3761 3.435738 146.5503 2.202788 -1.174179 
4.081246 
1 1 1 6   14  8  o 469.6677 4.074996  46392.14       803.4898 45828.10       
1132.513 46963.81       1140.138 466.7909 5.778856 472.5445 5.746928 -5.753632 
8.149991 
1 1 1 6   14  9  o 182.7665 2.492291  7015.084       191.2025 6916.635       
267.2690 7118.288       273.6461 181.4540 3.508350 184.0789 3.540839 -2.624893 
4.984583 
1 1 1 6   14  10 o 260.7641 2.972821  14160.55       306.4426 14668.07       
536.6589 13915.01       373.2841 264.1552 4.839051 257.3730 3.454599 6.782288 
5.945643 
1 1 1 6   14  11 o 480.7668 5.496108  48721.43       1108.803 47269.01       
1574.801 50149.32       1561.452 473.6242 7.919774 487.9094 7.622729 -14.28519 
10.99222 
1 1 1 6   14  12 o 434.3502 3.734063  39596.67       638.1785 39889.50       
1120.177 39455.96       776.5200 435.4054 6.127934 433.2950 4.268644 2.110321 
7.468126 
1 1 1 6   14  13 o 177.4532 1.827634  6450.753       129.8221 6104.156       
159.0536 7142.518       224.7039 170.4976 2.222011 184.4088 2.902352 -13.91118 
3.655268 
1 1 1 6   14  14 o 206.1906 5.506260  8943.308       476.6553 8943.308       
476.6553 0.000000       0.000000 206.1906 5.506260 ?        ?        ? ? 
1 1 1 6   14  15 o 127.5594 2.293156  3417.068       122.5839 3439.133       
179.1096 3397.625       168.1305 127.9438 3.334424 127.1751 3.148948 0.7686996 
4.586312 
1 1 1 6   14  16 o 195.2576 2.894347  7894.688       228.2467 8444.834       
384.4544 7595.230       283.6442 200.3991 4.569516 190.1161 3.553662 10.28297 
5.788695 
1 1 1 6   14  17 o 130.6045 2.052568  3513.935       108.9914 3855.760       
181.5185 3321.215       136.2957 135.4643 3.191664 125.7446 2.581749 9.719681 
4.105136 
1 1 1 6   14  18 o 109.7116 1.867928  2526.598       83.83469 2537.381       
134.7997 2519.797       107.0575 109.8932 2.921725 109.5299 2.328121 0.3632507 
3.735856 
1 1 1 6   14  19 o 52.41772 2.733721  584.6078       59.45808 507.3602       
86.80297 652.8891       81.60992 49.10833 4.210178 55.72712 3.488168 -6.618793 
5.467442 
1 1 1 6   14  20 o 84.64847 2.261929  1506.050       80.34522 1517.226       
115.6532 1495.625       111.7005 84.95016 3.242757 84.34679 3.154334 0.6033707 
4.523858 
1 1 1 6   14  21 f 196.9113 2.825002  8163.035       229.5809 8158.217       
359.1907 8166.364       298.5165 196.8112 4.347066 197.0113 3.609096 
-0.2000275     5.650005 
1 1 1 6   14  22 o 24.40107 4.913376  128.9326       52.59717 135.5116       
78.17986 123.4925       71.09163 24.96356 7.113153 23.83859 6.779980 1.124969 
9.826753 
1 1 1 6   14  23 o 142.0674 2.563266  4258.203       152.5903 4078.661       
219.6138 4425.778       212.1691 139.1496 3.759228 144.9851 3.485618 -5.835495 
5.126532 
1 1 1 6   14  24 o 75.02911 2.228560  1186.338       69.83600 1170.184       
103.8121 1199.692       94.38551 74.55115 3.316767 75.50708 2.977411 
-0.9559326     4.457119 
1 1 1 6   14  25 o 75.20463 2.156160  1185.832       67.50356 1223.178       
103.0346 1157.748       89.35007 76.22730 3.219539 74.18195 2.868915 2.045349 
4.312320 
1 1 1 6   14  26 o 77.17407 2.485668  1248.324       80.09518 1310.421       
120.8576 1199.691       106.9556 78.86702 3.650057 75.48113 3.375095 3.385887 
4.971336 
1 1 1 6   14  27 o 211.6979 2.562190  9424.560       226.8213 9232.653       
306.0487 9658.422       337.8517 209.3434 3.482189 214.0525 3.759472 -4.709076 
5.124381 
1 1 1 6   14  28 o 76.42484 2.282264  1230.609       73.16211 1233.455       
105.7951 1228.001       101.2858 76.50352 3.293860 76.34614 3.159967 0.1573868 
4.564527 
1 1 1 6   14  29 o 117.1068 2.351471  2884.667       114.8394 2967.395       
173.7499 2820.493       153.0309 118.5630 3.490572 115.6505 3.151757 2.912437 
4.702942 
1 1 1 6   14  30 o 128.7578 2.369553  3510.815       127.5952 3387.477       
186.9104 3618.456       174.6107 126.5939 3.516750 130.9218 3.176728 -4.327812 
4.739107 
1 1 1 6   14  31 o 77.64516 2.433817  1263.535       78.84068 1086.038       
106.3003 1480.552       117.5402 71.62518 3.535003 83.66515 3.346284 -12.03997 
4.867635 
1 1 1 6   14  32 o 63.60453 4.006814  871.9792       105.3958 686.4638       
145.0946 1079.212       153.3522 56.29703 6.138849 70.91204 5.150996 -14.61501 
8.013628 
1 1 1 6   14  33 o 114.9799 3.207424  2829.946       154.6618 2682.155       
213.1161 2994.388       224.8009 111.8132 4.539879 118.1466 4.532083 -6.333397 
6.414848 
1 1 1 6   14  34 o 28.85091 6.397770  192.0939       90.79367 110.7608       
130.3227 268.8019       126.5631 24.22554 9.228133 33.47629 8.863827 -9.250750 
12.79554 
1 1 1 6   14  35 o 62.17762 4.012958  853.4161       104.7377 863.4268       
149.8023 843.8423       146.4959 62.51678 5.707459 61.83845 5.642714 0.6783295 
8.025915 
1 1 1 6   14  36 f 24.48028 6.568521  127.1939       93.18041 112.5562       
133.8675 140.9518       129.7815 23.82520 9.284944 25.13536 9.293639 -1.310162 
13.13704 
1 1 1 6   14  37 o 19.77356 6.471147  -86.88283      110.3910 71.31821       
212.1716 -145.6044      129.2651 24.66936 10.79136 14.87775 7.144894 9.791612 
12.94229 
1 1 1 6   14  38 o 63.94505 5.297107  902.9009       129.3769 1212.403       
251.4259 791.4348       150.8862 69.37813 8.631941 58.51197 6.142227 10.86616 
10.59421 
1 1 1 6   14  39 o 20.99051 6.388356  45.00205       114.4729 -245.4271      
222.8665 149.0839       133.4174 17.89674 8.768111 24.08429 9.293255 -6.187553 
12.77671 
1 1 1 6   14  40 o 39.85192 5.788999  549.1326       121.2573 47.72798       
201.7515 832.6800       151.7174 21.28545 9.786928 58.41839 6.185957 -37.13295 
11.57800 
1 1 1 6   15  0  o 179.2295 1.998463  6517.123       89.94149 7038.173       
290.8319 6462.020       94.57780 183.0165 3.785061 175.4425 1.284031 7.573959 
3.996926 
1 1 1 6   15  1  o 185.8421 2.087763  7252.075       162.8937 0.000000       
0.000000 7252.075       162.8937 ?        ?        185.8421 2.087763 ? ? 
1 1 1 6   15  2  o 349.3278 7.250274  25702.31       1063.326 25702.31       
1063.326 0.000000       0.000000 349.3278 7.250274 ?        ?        ? ? 
1 1 1 6   15  3  o 306.1094 3.083580  19502.69       313.2154 19383.68       
348.3114 20005.59       715.9924 303.8032 2.730841 308.4156 5.529592 -4.612427 
6.167161 
1 1 1 6   15  4  o 138.1344 1.611863  3968.991       92.60020 3749.753       
121.5464 4272.265       142.9560 133.6331 2.166453 142.6357 2.387234 -9.002640 
3.223726 
1 1 1 6   15  5  o 400.1672 4.294117  33666.89       579.0031 33730.38       
1289.058 33650.85       648.0549 400.1351 7.673385 400.1993 3.857061 
-0.6417847E-01 8.588234 
1 1 1 6   15  6  o 179.8528 2.210215  6743.801       165.8422 6373.812       
220.2609 7228.117       252.0037 174.2029 3.011640 185.5026 3.235772 -11.29967 
4.420429 
1 1 1 6   15  7  f 335.1669 3.324814  23654.17       452.9622 23448.51       
738.1028 23778.41       573.6957 333.9392 5.264662 336.3947 4.062127 -2.455475 
6.649628 
1 1 1 6   15  8  o 90.06555 1.613212  1704.021       60.97133 1648.464       
86.39732 1759.141       86.05665 88.60200 2.322618 91.52910 2.239475 -2.927101 
3.226423 
1 1 1 6   15  9  o 324.9600 3.432296  22148.04       454.8678 22414.53       
738.7779 21985.35       577.2593 326.4755 5.389946 323.4445 4.251012 3.031036 
6.864592 
1 1 1 6   15  10 o 205.8500 2.633443  8838.470       224.3808 9275.629       
351.4775 8537.752       291.5132 210.1022 3.984629 201.5977 3.444243 8.504578 
5.266885 
1 1 1 6   15  11 o 91.96100 1.713211  1769.848       65.95770 1969.043       
96.14206 1592.737       90.65606 96.83334 2.364883 87.08865 2.479456 9.744682 
3.426422 
1 1 1 6   15  12 o 324.1614 4.308146  22097.07       585.5513 22412.54       
852.6649 21815.51       805.5328 326.3320 6.223573 321.9908 5.958828 4.341187 
8.616292 
1 1 1 6   15  13 o 168.7303 3.372552  5935.288       191.1059 6070.495       
429.6200 5901.935       213.3790 169.8379 6.025192 167.6226 3.032076 2.215317 
6.745103 
1 1 1 6   15  14 o 115.6725 1.822171  2807.333       88.34621 2856.875       
129.1545 2763.768       121.1136 116.6293 2.637686 114.7158 2.514726 1.913521 
3.644343 
1 1 1 6   15  15 o 88.40553 2.129873  1635.195       78.37490 1691.045       
119.7640 1593.362       103.6515 89.71672 3.179611 87.09433 2.834697 2.622391 
4.259746 
1 1 1 6   15  16 o 162.4676 2.185571  5522.915       146.5395 5667.573       
230.7750 5425.180       189.6899 164.2308 3.346996 160.7044 2.811496 3.526428 
4.371143 
1 1 1 6   15  17 o 56.25475 2.414950  665.5878       56.98573 680.1876       
79.51011 650.1670       81.71509 56.89120 3.328881 55.61828 3.499498 1.272923 
4.829900 
1 1 1 6   15  18 o 323.3799 2.982680  21978.34       403.3544 21787.47       
545.6156 22208.37       598.9687 321.8609 4.037752 324.8988 4.391137 -3.037933 
5.965361 
1 1 1 6   15  19 o 217.8697 2.410411  9812.224       202.4813 10402.12       
373.4818 9566.667       240.9674 222.3647 4.000595 213.3747 2.689901 8.989975 
4.820823 
1 1 1 6   15  20 o 103.6131 2.175582  2255.683       94.38639 2274.876       
138.9125 2239.222       128.6432 104.0169 3.180962 103.2093 2.968857 0.8076172 
4.351164 
1 1 1 6   15  21 o 165.0699 2.606511  5742.138       180.3721 5427.700       
256.4898 6049.778       253.7023 160.5794 3.804533 169.5603 3.563864 -8.980942 
5.213022 
1 1 1 6   15  22 o 68.35180 2.210922  990.4165       62.59338 800.2791       
88.11349 1184.107       88.93304 61.66475 3.403505 75.03884 2.822917 -13.37409 
4.421844 
1 1 1 6   15  23 o 133.8658 2.184749  3789.665       121.7235 3612.425       
182.1356 3932.725       163.6331 130.9989 3.311679 136.7327 2.850492 -5.733734 
4.369499 
1 1 1 6   15  24 o 56.32587 2.673275  668.5072       63.07811 670.0006       
92.35513 667.2014       86.35835 56.37765 3.901891 56.27410 3.655248 0.1035500 
5.346549 
1 1 1 6   15  25 o 102.1272 2.230569  2185.404       94.86269 2270.526       
144.7921 2121.388       125.5651 103.8469 3.321026 100.4076 2.978679 3.439323 
4.461137 
1 1 1 6   15  26 o 43.88192 3.497453  412.8987       63.46396 345.9986       
92.36909 472.7186       87.34470 40.43476 5.441177 47.32908 4.395716 -6.894321 
6.994907 
1 1 1 6   15  27 o 104.7974 2.179579  2311.442       95.78304 2325.235       
139.0653 2298.993       132.1170 105.0879 3.152007 104.5070 3.011163 0.5809021 
4.359158 
1 1 1 6   15  28 o 109.8521 1.865700  2538.252       85.99883 2585.440       
124.0892 2494.640       119.2939 110.8308 2.666826 108.8734 2.609862 1.957405 
3.731399 
1 1 1 6   15  29 o 86.51839 2.337168  1581.369       84.78876 1648.862       
118.8951 1511.523       120.9502 88.41271 3.203099 84.62406 3.404346 3.788651 
4.674335 
1 1 1 6   15  30 f 63.94518 2.747106  869.5953       73.32387 767.7811       
104.1971 969.4724       103.2013 60.18617 4.123635 67.70418 3.630702 -7.518009 
5.494212 
1 1 1 6   15  31 o 32.22413 4.700312  232.3499       62.11328 201.3987       
93.04131 257.2345       83.42609 29.83389 7.444182 34.61437 5.740722 -4.780487 
9.400624 
1 1 1 6   15  32 o 35.96073 6.172062  298.7879       92.64025 347.5039       
133.9500 254.1219       128.2613 38.83450 8.451263 33.08696 8.997420 5.747543 
12.34412 
1 1 1 6   15  33 f 77.82659 3.612856  1303.328       116.4849 1605.939       
170.4691 1038.267       159.5423 86.44245 4.697205 69.21073 5.490645 17.23172 
7.225713 
1 1 1 6   15  34 o 97.70712 3.426975  2069.596       140.3326 1951.711       
199.7581 2184.466       197.1873 94.85041 5.016331 100.5638 4.670443 -5.713432 
6.853949 
1 1 1 6   15  35 o 75.18506 3.741816  1234.161       117.5932 1304.444       
176.3911 1177.935       157.7670 76.99930 5.456460 73.37081 5.121696 3.628487 
7.483631 
1 1 1 6   15  36 o 32.56746 6.572636  270.1923       95.97044 216.1008       
138.5626 320.0658       133.0506 29.36063 9.685897 35.77428 8.887158 -6.413651 
13.14527 
1 1 1 6   15  37 o 41.35605 5.576631  420.3129       93.13456 378.2346       
142.3013 451.8437       123.1822 38.47863 8.966436 44.23347 6.633120 -5.754837 
11.15326 
1 1 1 6   15  38 o 18.62197 5.873363  -11.64617      95.57853 -78.58127      
137.3861 51.13510       133.0549 16.74941 7.841259 20.49454 8.746443 -3.745132 
11.74673 
1 1 1 6   15  39 o 39.15467 7.081093  494.8891       125.0853 307.1172       
231.5341 572.2813       148.6443 30.28232 12.09221 48.02702 7.371971 -17.74471 
14.16219 
1 1 1 6   15  40 o 33.95830 6.289519  412.0088       116.7246 69.57179       
234.4814 524.8215       134.5851 22.46736 10.41554 45.44925 7.053285 -22.98189 
12.57904 
1 1 1 6   16  0  o 179.6368 2.375134  6804.218       158.3102 6728.339       
306.0066 6831.948       184.9896 178.9122 4.073914 180.3615 2.443007 -1.449203 
4.750269 
1 1 1 6   16  1  o 365.8793 4.172699  28166.09       622.1078 28210.97       
1009.912 28138.65       789.7329 365.9992 6.572408 365.7595 5.142872 0.2397156 
8.345398 
1 1 1 6   16  2  o 266.8309 3.301758  14876.40       316.6932 15149.02       
646.9072 14790.47       363.1905 268.3224 5.742566 265.3394 3.260271 2.983032 
6.603517 
1 1 1 6   16  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   16  4  o 415.6907 5.337920  35964.16       583.4856 36992.26       
1767.532 35838.42       618.1375 418.3676 10.06307 413.0138 3.564853 5.353790 
10.67584 
1 1 1 6   16  5  o 115.7756 2.030974  2872.509       90.34549 2671.309       
162.2266 2962.965       108.7748 112.7637 3.426682 118.7875 2.181117 -6.023750 
4.061947 
1 1 1 6   16  6  o 238.7814 2.631598  11953.01       251.9832 12069.34       
425.7354 11890.29       312.6234 239.6420 4.231535 237.9209 3.129752 1.721115 
5.263196 
1 1 1 6   16  7  o 454.8884 3.878777  43544.86       739.6342 43090.22       
1072.991 43956.46       1020.950 452.5982 5.646825 457.1785 5.319117 -4.580231 
7.757554 
1 1 1 6   16  8  o 329.9003 3.789449  22856.04       524.3402 22170.89       
722.3127 23619.30       762.3655 324.6884 5.298825 335.1123 5.418685 -10.42392 
7.578898 
1 1 1 6   16  9  o 125.5799 1.591432  3311.439       83.89879 3367.560       
119.0536 3256.072       118.2521 126.6370 2.239251 124.5227 2.261941 2.114311 
3.182864 
1 1 1 6   16  10 o 547.4314 4.006679  63098.36       913.6566 63474.72       
1220.246 62618.13       1378.365 549.3674 5.290610 545.4955 6.018583 3.871887 
8.013357 
1 1 1 6   16  11 o 136.6451 2.054547  3911.352       117.2518 3823.708       
157.1864 4021.294       176.0506 134.9276 2.774823 138.3626 3.030678 -3.435028 
4.109094 
1 1 1 6   16  12 f 198.5142 2.476250  8289.814       203.1794 8222.550       
315.7556 8337.347       265.4305 197.8102 3.802099 199.2182 3.173531 -1.408066 
4.952500 
1 1 1 6   16  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   16  14 o 179.3176 2.449416  6760.622       184.2157 6857.699       
255.9367 6656.265       265.3595 180.6586 3.374387 177.9765 3.551347 2.682129 
4.898831 
1 1 1 6   16  15 o 310.6870 3.322717  20224.69       361.5024 20445.66       
765.2347 20161.21       410.1548 311.6048 5.849403 309.7692 3.153774 1.835602 
6.645435 
1 1 1 6   16  16 o 297.3998 2.924895  18544.64       349.5998 18783.90       
588.1680 18413.93       434.7290 298.8063 4.688487 295.9934 3.498305 2.812897 
5.849791 
1 1 1 6   16  17 o 303.5315 2.714037  19156.31       327.8592 18711.67       
401.6266 20044.49       567.6349 298.3870 3.206001 308.6761 4.380132 -10.28909 
5.428075 
1 1 1 6   16  18 o 256.2445 2.209353  13775.86       233.1255 13928.24       
368.3980 13674.09       301.0760 257.3934 3.409109 255.0956 2.811217 2.297867 
4.418706 
1 1 1 6   16  19 o 88.91748 1.886820  1667.842       70.07636 1586.484       
102.9308 1738.131       95.67264 86.88290 2.821839 90.95206 2.505511 -4.069160 
3.773640 
1 1 1 6   16  20 o 150.3051 2.361902  4755.896       147.4834 4721.984       
225.0481 4781.423       195.2562 149.8134 3.578046 150.7968 3.084138 
-0.9833984     4.723804 
1 1 1 6   16  21 o 34.94456 3.699685  255.9343       54.04333 277.5677       
81.17842 238.7143       72.42590 36.25755 5.332898 33.63158 5.129413 2.625961 
7.399370 
1 1 1 6   16  22 o 185.7272 2.680845  7253.250       205.8545 7337.073       
321.1419 7194.786       268.2023 186.5830 4.099643 184.8714 3.455524 1.711624 
5.361690 
1 1 1 6   16  23 o 84.55708 2.192589  1504.826       77.55396 1503.507       
114.6398 1505.940       105.3090 84.51366 3.230945 84.60050 2.964925 
-0.8683777E-01 4.385178 
1 1 1 6   16  24 o 51.08275 2.966600  558.7053       62.63883 483.6415       
92.83411 621.4424       84.87002 47.85925 4.620221 54.30625 3.722421 -6.446999 
5.933200 
1 1 1 6   16  25 o 194.1660 2.142240  7920.966       173.1246 8028.222       
263.4749 7839.471       229.6633 195.2910 3.213500 193.0411 2.833759 2.249847 
4.284480 
1 1 1 6   16  26 o 34.37204 4.162874  254.3770       56.60099 151.0644       
76.03176 382.8053       84.77126 26.17417 6.842557 42.56991 4.743151 -16.39574 
8.325747 
1 1 1 6   16  27 o 131.4875 1.980923  3599.287       108.4990 3345.480       
143.0191 3943.408       166.5324 126.0966 2.701543 136.8783 2.897912 -10.78169 
3.961846 
1 1 1 6   16  28 o 104.4487 1.960452  2296.401       85.94325 2219.479       
120.5282 2375.968       122.5821 102.6671 2.796266 106.2303 2.748523 -3.563255 
3.920903 
1 1 1 6   16  29 o 59.04298 2.546312  733.7664       62.59053 610.6152       
85.78282 873.9691       91.52911 53.74296 3.801892 64.34300 3.388278 -10.60004 
5.092623 
1 1 1 6   16  30 o 68.31331 2.546567  987.5529       72.99971 1007.378       
102.3335 967.0114       104.1653 69.02167 3.531452 67.60495 3.669996 1.416718 
5.093135 
1 1 1 6   16  31 o 94.23531 3.271118  1893.470       129.3424 1837.468       
183.9737 1948.205       181.8797 92.82763 4.720626 95.64297 4.529521 -2.815346 
6.542237 
1 1 1 6   16  32 o 62.14463 3.960104  840.1407       102.3801 750.7325       
149.3400 919.4205       140.6272 58.86097 6.043240 65.42828 5.119467 -6.567314 
7.920208 
1 1 1 6   16  33 f 54.66449 4.193614  651.3666       96.14499 691.7969       
137.3985 612.5756       134.5843 56.36853 5.805855 52.96045 6.052906 3.408081 
8.387229 
1 1 1 6   16  34 o 100.5934 3.497277  2196.210       147.4545 2158.146       
213.5812 2230.876       203.8252 99.65475 5.104886 101.5321 4.781624 -1.877373 
6.994554 
1 1 1 6   16  35 o 47.81483 4.975027  519.7523       99.60869 551.8866       
139.5970 486.4206       142.1743 49.48063 6.719886 46.14902 7.338031 3.331608 
9.950053 
1 1 1 6   16  36 o 31.59411 6.676106  253.4556       95.25502 257.0033       
137.1785 250.1521       132.3719 31.76128 9.532125 31.42693 9.349874 0.3343468 
13.35221 
1 1 1 6   16  37 o 32.23279 6.102211  249.7639       92.71213 426.7566       
139.4190 109.4456       124.1371 41.46452 8.301866 23.00106 8.945778 18.46346 
12.20442 
1 1 1 6   16  38 o 34.58349 6.260304  307.7309       92.98495 415.7350       
139.8354 222.1198       124.4980 40.24403 8.535551 28.92296 9.160239 11.32107 
12.52061 
1 1 1 6   16  39 o 31.98127 6.817272  295.2187       99.20013 282.3624       
145.2172 306.4671       135.8328 31.05994 9.898869 32.90259 9.376204 -1.842648 
13.63454 
1 1 1 6   16  40 o 30.98978 7.673490  323.7444       118.4039 352.1074       
228.5681 313.3416       138.4248 29.98159 11.99794 31.99797 9.569707 -2.016382 
15.34698 
1 1 1 6   17  0  o 178.1616 1.877381  6756.125       113.4485 6517.707       
248.0516 6819.188       127.5730 176.1116 3.354866 180.2115 1.686155 -4.099869 
3.754762 
1 1 1 6   17  1  o 228.7146 3.303591  10920.58       263.1543 11149.00       
562.6832 10856.64       297.7198 230.1107 5.824359 227.3185 3.119566 2.792297 
6.607182 
1 1 1 6   17  2  o 333.4015 4.896618  23518.65       634.4254 23184.83       
1133.298 23671.01       765.6365 331.4158 8.145019 335.3871 5.437476 -3.971283 
9.793236 
1 1 1 6   17  3  o 190.2502 2.914165  7494.646       220.8207 7963.701       
383.0310 7261.142       270.2522 194.6043 4.688162 185.8961 3.462742 8.708206 
5.828331 
1 1 1 6   17  4  o 35.53447 3.243433  247.9878       45.19571 314.9251       
83.54517 220.2937       53.73790 38.69350 5.142857 32.37544 3.953539 6.318054 
6.486867 
1 1 1 6   17  5  f 165.1782 4.814519  5737.294       333.8756 5737.294       
333.8756 0.000000       0.000000 165.1782 4.814519 ?        ?        ? ? 
1 1 1 6   17  6  o 575.9391 5.856530  68799.05       1122.992 71944.69       
2565.568 68053.52       1249.000 583.0734 10.48048 568.8048 5.230222 14.26855 
11.71306 
1 1 1 6   17  7  o 316.3264 2.186285  20941.56       285.4190 20605.52       
369.6315 21437.81       449.1858 313.2143 2.810920 319.4385 3.349344 -6.224182 
4.372571 
1 1 1 6   17  8  o 218.0735 1.646884  9977.106       150.6541 10212.73       
218.4686 9763.461       208.0288 220.5249 2.359676 215.6220 2.298008 4.902893 
3.293769 
1 1 1 6   17  9  o 150.3400 1.955992  4752.787       123.0368 4817.866       
167.8580 4677.226       180.8703 151.4573 2.639812 149.2227 2.887043 2.234573 
3.911984 
1 1 1 6   17  10 o 148.2461 1.612236  4599.556       99.05514 4520.419       
129.5571 4710.910       153.6825 146.7208 2.103249 149.7714 2.444087 -3.050674 
3.224472 
1 1 1 6   17  11 o 134.6112 2.061989  3788.693       114.9399 3910.575       
179.1614 3703.442       149.8396 136.4358 3.127788 132.7867 2.687776 3.649078 
4.123978 
1 1 1 6   17  12 f 133.7025 1.916745  3778.193       106.4776 3574.105       
160.1112 3940.022       142.5741 130.4385 2.923729 136.9665 2.479405 -6.528061 
3.833489 
1 1 1 6   17  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   17  14 o 61.32412 2.211231  783.0127       56.64839 864.7888       
85.44876 718.8890       75.66615 64.15413 3.172504 58.49411 3.081133 5.660015 
4.422462 
1 1 1 6   17  15 o 43.92078 2.860050  403.5091       52.57672 449.6263       
77.33686 363.8774       71.69292 46.24313 3.983460 41.59843 4.105069 4.644699 
5.720099 
1 1 1 6   17  16 o 16.23727 4.597870  26.36136       47.63140 16.70098       
70.44655 34.49694       64.64830 15.95708 6.555075 16.51747 6.449235 
-0.5603924     9.195741 
1 1 1 6   17  17 o 264.4926 2.884638  14704.73       304.2804 14753.40       
519.2870 14679.29       375.4966 264.7381 4.672101 264.2471 3.384674 0.4909973 
5.769276 
1 1 1 6   17  18 o 122.9143 2.015968  3177.761       103.7882 3135.253       
151.5074 3215.349       142.4668 122.1338 2.954738 123.6949 2.743361 -1.561073 
4.031936 
1 1 1 6   17  19 o 114.5858 2.332958  2719.115       110.0423 2969.012       
176.7952 2561.073       140.5974 118.8018 3.544610 110.3699 3.034225 8.431946 
4.665916 
1 1 1 6   17  20 o 28.38773 4.464788  176.8537       51.72016 181.4164       
76.40609 172.9949       70.26580 28.71607 6.489691 28.05939 6.133616 0.6566792 
8.929577 
1 1 1 6   17  21 o 145.8096 1.922275  4421.363       113.9837 4663.783       
188.2344 4281.005       143.2290 148.9036 3.011027 142.7156 2.390456 6.188065 
3.844550 
1 1 1 6   17  22 o 110.2862 2.396481  2563.335       110.7863 2505.354       
160.1699 2616.519       153.4003 109.0789 3.497529 111.4935 3.277161 -2.414635 
4.792963 
1 1 1 6   17  23 o 60.92833 2.285379  780.7458       58.43050 806.3532       
84.25567 757.0202       81.10100 61.88931 3.242684 59.96735 3.221309 1.921959 
4.570758 
1 1 1 6   17  24 o 126.4692 2.307176  3340.477       121.8427 3123.447       
162.3701 3620.200       184.3356 121.8145 3.174884 131.1239 3.348486 -9.309326 
4.614352 
1 1 1 6   17  25 o 151.3167 2.342588  4819.865       148.7938 4778.027       
208.1327 4863.601       212.7972 150.6481 3.290771 151.9852 3.334922 -1.337051 
4.685176 
1 1 1 6   17  26 o 50.44400 2.715150  536.3787       57.49591 525.5710       
80.93364 547.3904       81.69469 49.92986 3.860911 50.95813 3.818576 -1.028275 
5.430300 
1 1 1 6   17  27 o 122.0489 2.116021  3110.953       107.6909 2932.393       
142.6947 3347.228       164.1437 118.0267 2.879709 126.0710 3.101202 -8.044289 
4.232042 
1 1 1 6   17  28 o 112.3300 2.237311  2658.958       105.3701 2676.831       
153.2668 2642.938       145.1000 112.6765 3.239933 111.9836 3.086272 0.6929016 
4.474621 
1 1 1 6   17  29 o 83.28954 2.361091  1463.449       82.53019 1510.350       
118.6770 1419.525       114.8478 84.58039 3.342090 81.99869 3.336082 2.581703 
4.722183 
1 1 1 6   17  30 o 64.53231 2.678736  883.8726       72.38921 843.9213       
104.6090 920.5826       100.2760 63.10560 3.948411 65.95901 3.621128 -2.853413 
5.357473 
1 1 1 6   17  31 o 149.8484 3.800874  4763.952       234.0264 5053.976       
375.8506 4580.311       299.0775 153.2520 5.841577 146.4449 4.864416 6.807175 
7.601748 
1 1 1 6   17  32 o 106.1390 3.151748  2457.489       134.6108 2217.156       
218.2455 2605.057       171.0145 101.5618 5.118421 110.7163 3.679107 -9.154503 
6.303496 
1 1 1 6   17  33 o 61.48013 3.997748  805.9087       99.57634 1144.690       
151.9724 551.0434       131.8137 72.82983 4.970231 50.13041 6.262968 22.69942 
7.995497 
1 1 1 6   17  34 o 39.72052 5.459516  353.7342       88.56635 479.6765       
136.7974 262.8479       116.2094 46.23867 7.046826 33.20238 8.340713 13.03629 
10.91903 
1 1 1 6   17  35 o 36.59435 6.170700  331.1194       94.91563 249.7370       
136.2844 407.7752       132.2676 31.71335 9.497632 41.47535 7.880682 -9.761995 
12.34140 
1 1 1 6   17  36 o 61.58885 4.102920  851.6440       105.6712 920.0197       
148.0659 780.6666       150.8566 64.32144 5.483028 58.85626 6.105097 5.465179 
8.205840 
1 1 1 6   17  37 o 35.86253 6.272562  331.6388       97.68217 452.4783       
139.5785 215.6440       136.7518 42.88428 8.049195 28.84077 9.622400 14.04352 
12.54512 
1 1 1 6   17  38 o 63.07897 4.341775  906.5955       112.7766 1174.032       
169.6357 694.7715       150.9713 71.76242 5.630426 54.39552 6.610775 17.36691 
8.683550 
1 1 1 6   17  39 o 68.63962 3.928273  1089.198       112.9850 1004.469       
155.3533 1184.335       164.6187 65.72687 5.629874 71.55236 5.479947 -5.825493 
7.856545 
1 1 1 6   17  40 o 39.18312 6.418638  443.3114       103.5936 466.6704       
148.8383 421.3629       144.2752 40.31330 9.021100 38.05294 9.133204 2.260361 
12.83728 
1 1 1 6   18  0  o 159.1529 2.302928  5320.486       153.8771 0.000000       
0.000000 5320.486       153.8771 ?        ?        159.1529 2.302928 ? ? 
1 1 1 6   18  1  o 217.5312 2.911957  10090.48       179.2454 9764.220       
491.5358 10140.52       192.5012 215.3257 5.437263 219.7367 2.086660 -4.411026 
5.823915 
1 1 1 6   18  2  o 510.9114 6.553841  55528.48       1373.988 54018.44       
2171.094 56537.31       1774.560 504.5996 10.24832 517.2233 8.172099 -12.62369 
13.10768 
1 1 1 6   18  3  o 265.0655 3.741466  14788.38       415.6723 14785.04       
605.5040 14791.35       571.6542 265.0168 5.442077 265.1142 5.135958 
-0.9744263E-01 7.482932 
1 1 1 6   18  4  o 113.5622 2.513634  2755.447       110.9255 2589.197       
195.7395 2834.095       134.6307 110.9709 4.201365 116.1534 2.760788 -5.182510 
5.027268 
1 1 1 6   18  5  o 309.7111 4.278991  20061.85       539.7695 19643.57       
681.5155 20765.81       884.1382 305.5240 5.313142 313.8982 6.708917 -8.374207 
8.557981 
1 1 1 6   18  6  o 334.2997 4.830576  23506.85       677.9752 0.000000       
0.000000 23506.85       677.9752 ?        ?        334.2997 4.830576 ? ? 
1 1 1 6   18  7  o 208.9633 2.315019  9220.461       182.7954 9069.023       
342.6778 9280.691       216.1103 207.7161 3.929497 210.2106 2.448735 -2.494568 
4.630038 
1 1 1 6   18  8  o 162.0196 1.681447  5524.800       112.6646 5582.699       
147.5616 5443.871       174.4583 163.0466 2.155673 160.9927 2.581110 2.053864 
3.362894 
1 1 1 6   18  9  o 139.2806 1.811260  4060.450       105.7131 3845.797       
144.2003 4309.847       155.4326 135.3157 2.538278 143.2456 2.584531 -7.929977 
3.622520 
1 1 1 6   18  10 o 45.64613 2.505348  438.6804       47.11422 556.3409       
68.58300 333.5315       64.83408 51.45803 3.174566 39.83422 3.876753 11.62381 
5.010697 
1 1 1 6   18  11 f 85.06358 1.801011  1517.713       64.27397 1451.773       
89.04826 1589.427       92.86615 83.13739 2.551233 86.98976 2.542789 -3.852371 
3.602022 
1 1 1 6   18  12 o 168.1108 2.396433  5903.512       167.4215 6180.177       
258.1687 5702.717       219.9391 171.4786 3.586037 164.7431 3.179921 6.735519 
4.792866 
1 1 1 6   18  13 o 218.4526 3.543928  10016.77       276.3622 9993.192       
316.2138 10093.03       568.6752 218.0549 3.454109 218.8503 6.189252 
-0.7953796     7.087856 
1 1 1 6   18  14 o 264.0872 2.276787  14408.41       224.5688 15199.98       
436.4199 14123.33       261.9036 268.8714 3.866171 259.3030 2.405775 9.568359 
4.553573 
1 1 1 6   18  15 o 246.0736 2.949264  12716.85       303.9851 12455.24       
414.2162 13022.21       447.5115 243.3491 4.054323 248.7980 4.284285 -5.448883 
5.898528 
1 1 1 6   18  16 o 115.4906 1.970194  2804.064       94.85630 2791.532       
142.7080 2813.983       126.9625 115.2522 2.949307 115.7289 2.613091 
-0.4767151     3.940388 
1 1 1 6   18  17 o 60.39538 2.297914  758.3812       57.93219 853.6463       
87.74630 684.7680       77.13299 63.71948 3.280029 57.07127 3.219168 6.648209 
4.595828 
1 1 1 6   18  18 o 190.0054 2.827791  7596.053       225.2144 7642.846       
328.3782 7554.494       309.4651 190.5442 4.104873 189.4665 3.890454 1.077637 
5.655582 
1 1 1 6   18  19 o 168.0857 2.077017  5942.436       146.4804 6003.826       
204.2042 5877.365       210.2366 168.9857 2.878297 167.1857 2.995230 1.799988 
4.154034 
1 1 1 6   18  20 o 63.35233 2.238679  829.2416       59.00841 977.4794       
90.81371 720.9208       77.62964 68.16460 3.173318 58.54007 3.158606 9.624531 
4.477358 
1 1 1 6   18  21 o 28.20905 4.230216  173.5064       48.58829 143.7442       
66.25798 208.1308       71.46557 25.54040 6.226830 30.87769 5.727609 -5.337290 
8.460432 
1 1 1 6   18  22 o 229.7195 2.561784  11108.96       246.7583 11258.65       
359.1089 10975.06       339.6421 231.1674 3.700161 228.2717 3.543973 2.895615 
5.123567 
1 1 1 6   18  23 o 125.7423 2.157724  3327.817       113.8934 3264.988       
161.0491 3390.680       161.0902 124.5518 3.079847 126.9327 3.022851 -2.380852 
4.315447 
1 1 1 6   18  24 o 126.2068 1.735873  3315.428       90.72180 3545.957       
142.3549 3157.769       117.7255 129.8506 2.611258 122.5631 2.287872 7.287445 
3.471747 
1 1 1 6   18  25 o 88.42493 2.210973  1645.646       82.06868 1652.341       
117.1398 1639.191       115.0146 88.59986 3.149145 88.24999 3.104270 0.3498688 
4.421946 
1 1 1 6   18  26 f 79.35822 2.358150  1322.204       78.44133 1411.385       
114.8120 1244.134       107.4219 81.85932 3.340722 76.85712 3.329124 5.002205 
4.716300 
1 1 1 6   18  27 o 187.4612 2.794509  7416.578       219.8141 7353.074       
305.2617 7484.968       316.7867 186.6431 3.895664 188.2794 4.007608 -1.636307 
5.589017 
1 1 1 6   18  28 o 185.5459 2.227627  7225.053       172.1953 7524.493       
262.4103 6998.601       228.1996 188.8638 3.309431 182.2281 2.982777 6.635742 
4.455254 
1 1 1 6   18  29 o 22.15120 5.322696  98.98679       59.37686 86.72348       
84.72330 110.8243       83.23948 21.32122 7.547541 22.98117 7.507262 -1.659946 
10.64539 
1 1 1 6   18  30 o 76.07623 2.458586  1223.432       78.46854 1203.265       
108.5660 1245.490       113.5438 75.42834 3.428311 76.72411 3.524949 -1.295761 
4.917172 
1 1 1 6   18  31 o 45.40960 5.129053  466.4885       92.93594 387.7581       
138.9436 530.2294       125.0190 41.24606 8.315399 49.57314 6.006903 -8.327084 
10.25811 
1 1 1 6   18  32 o 57.79647 3.996704  721.3310       96.72147 739.9600       
142.7831 705.5336       131.4841 58.43316 5.820207 57.15978 5.479029 1.273373 
7.993408 
1 1 1 6   18  33 o 34.42333 6.011622  269.3317       90.37768 418.0316       
136.2024 152.3517       120.8051 42.52111 7.924815 26.32556 9.041886 16.19555 
12.02324 
1 1 1 6   18  34 o 54.10442 4.491618  650.7710       101.6788 637.8231       
149.0334 662.0461       139.0737 53.46373 6.639656 54.74512 6.050910 -1.281384 
8.983236 
1 1 1 6   18  35 o 28.33074 6.644820  193.8814       92.30151 180.8517       
132.3844 206.2072       128.7592 27.60188 9.466763 29.05960 9.327108 -1.457718 
13.28964 
1 1 1 6   18  36 o 24.36442 6.249457  103.6382       93.64806 237.3822       
133.1689 -27.21085      131.7197 30.53256 9.438470 18.19627 8.193786 12.33629 
12.49891 
1 1 1 6   18  37 o 27.49189 6.631384  193.1452       91.95995 173.5967       
140.5877 207.7642       121.5761 26.53574 9.689294 28.44805 9.056414 -1.912310 
13.26277 
1 1 1 6   18  38 o 113.2420 3.259982  2839.036       154.6525 2685.810       
210.4004 3019.115       228.0927 110.0050 4.555700 116.4790 4.664282 -6.474014 
6.519964 
1 1 1 6   18  39 o 46.32014 4.908081  526.3466       95.24716 537.9508       
131.8963 513.7004       137.6901 47.11001 6.668686 45.53027 7.203170 1.579746 
9.816162 
1 1 1 6   18  40 o 18.56146 5.923240  6.178641       99.87508 85.72996       
146.1390 -63.54167      136.8113 20.88672 9.045146 16.23620 7.650124 4.650513 
11.84648 
1 1 1 6   19  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   19  1  o 105.4741 2.208258  2288.922       85.03516 2438.863       
171.5923 2240.111       97.90241 107.6818 3.795565 103.2664 2.258163 4.415367 
4.416516 
1 1 1 6   19  2  o 14.14481 3.866252  3.301293       31.65035 67.54222       
60.66478 -20.72473      37.09981 18.72143 6.408925 9.568190 4.326350 9.153240 
7.732504 
1 1 1 6   19  3  o 270.8362 4.564794  15477.00       441.3867 15466.44       
905.7777 15480.28       505.4622 270.4271 7.977972 271.2452 4.438617 
-0.8181152     9.129587 
1 1 1 6   19  4  o 243.6980 3.953217  12562.07       400.0309 12138.01       
606.9336 12887.79       531.9180 239.9784 6.024071 247.4176 5.120768 -7.439209 
7.906434 
1 1 1 6   19  5  o 274.7755 4.383417  15717.69       493.7308 16803.11       
800.2050 15050.48       627.3909 282.2354 6.753220 267.3157 5.590295 14.91962 
8.766834 
1 1 1 6   19  6  o 244.5309 3.489438  12577.11       358.0566 12029.34       
500.5860 13150.95       512.3562 239.0755 4.987291 249.9863 4.881765 -10.91080 
6.978876 
1 1 1 6   19  7  o 167.7839 2.455546  5864.475       165.9986 5735.625       
206.3438 6100.825       279.4657 165.2225 2.974700 170.3454 3.907683 -5.122879 
4.911093 
1 1 1 6   19  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   19  9  o 61.48003 2.246379  794.5427       57.89734 739.9020       
81.37540 850.5578       82.39248 59.33688 3.266551 63.62317 3.084561 -4.286289 
4.492758 
1 1 1 6   19  10 o 252.2635 2.226625  12807.60       168.4249 14192.87       
445.6832 12576.81       181.9147 259.7956 4.086161 244.7314 1.770513 15.06427 
4.453249 
1 1 1 6   19  11 o 98.92798 1.746732  2044.856       71.98930 1972.912       
95.33038 2140.326       109.8159 96.91717 2.342889 100.9388 2.591363 -4.021614 
3.493464 
1 1 1 6   19  12 o 57.21393 4.306827  688.5873       103.4518 0.000000       
0.000000 688.5873       103.4518 ?        ?        57.21393 4.306827 ? ? 
1 1 1 6   19  13 o 64.11689 2.106799  865.9595       56.34931 990.5440       
80.43074 745.8612       78.96927 68.66116 2.790179 59.57262 3.157421 9.088531 
4.213597 
1 1 1 6   19  14 f 83.72855 1.962466  1468.025       68.83083 1401.031       
93.59737 1546.924       101.5742 81.65677 2.730188 85.80033 2.819781 -4.143562 
3.924932 
1 1 1 6   19  15 o 141.9310 1.866110  4243.688       110.7786 4087.415       
162.0958 4380.639       151.7451 139.4660 2.768372 144.3960 2.503114 -4.929916 
3.732220 
1 1 1 6   19  16 o 182.1215 1.614618  6962.090       123.3830 6799.394       
170.9584 7138.960       178.2498 179.9040 2.263449 184.3389 2.303208 -4.434967 
3.229236 
1 1 1 6   19  17 o 124.2776 1.665875  3244.207       86.79694 3264.139       
126.3159 3226.378       119.4689 124.6361 2.413989 123.9190 2.296350 0.7171783 
3.331751 
1 1 1 6   19  18 o 64.44212 2.106755  870.7703       56.79136 771.5289       
78.25776 981.1799       82.54374 60.57048 3.077425 68.31377 2.878041 -7.743282 
4.213510 
1 1 1 6   19  19 o 90.08730 2.002981  1704.523       75.70480 1623.094       
105.1663 1792.103       109.0657 87.85581 2.851196 92.31877 2.813968 -4.462959 
4.005963 
1 1 1 6   19  20 o 92.20330 2.114260  1785.292       81.75229 1853.186       
119.1022 1724.804       112.4176 93.85585 3.022592 90.55075 2.957080 3.305099 
4.228520 
1 1 1 6   19  21 o 31.31725 3.683604  204.8572       46.79235 256.8358       
73.00430 168.6136       60.96088 34.86516 4.987441 27.76934 5.422287 7.095819 
7.367209 
1 1 1 6   19  22 o 145.4863 2.494965  4459.875       152.3401 4375.465       
216.9014 4542.051       214.0105 144.1193 3.584770 146.8533 3.471143 -2.734009 
4.989931 
1 1 1 6   19  23 o 155.4752 1.698365  5083.219       110.8216 5036.190       
158.3654 5128.350       155.1354 154.7667 2.437270 156.1836 2.365901 -1.416901 
3.396729 
1 1 1 6   19  24 o 114.3974 2.210125  2741.724       105.8210 2912.417       
157.3692 2600.835       142.9717 117.6266 3.186655 111.1682 3.063307 6.458435 
4.420251 
1 1 1 6   19  25 o 136.1895 2.322856  3873.813       132.2384 3562.901       
177.2821 4263.778       198.5457 130.0843 3.246095 142.2947 3.323479 -12.21043 
4.645713 
1 1 1 6   19  26 o 19.61947 4.741438  74.58417       47.22217 89.64483       
67.44861 60.10432       66.13524 20.82736 6.757244 18.41158 6.653165 2.415783 
9.482877 
1 1 1 6   19  27 o 94.70959 2.237014  1889.540       88.91073 1862.243       
123.6029 1918.810       127.9893 94.00484 3.131841 95.41434 3.195074 -1.409500 
4.474028 
1 1 1 6   19  28 o 70.94558 2.580504  1063.089       76.71393 1154.042       
109.8196 976.4119       107.2073 73.92191 3.538569 67.96925 3.756931 5.952667 
5.161007 
1 1 1 6   19  29 o 123.5081 2.493287  3221.519       129.2089 3128.827       
179.0227 3322.306       186.6754 121.6608 3.504923 125.3554 3.547030 -3.694649 
4.986573 
1 1 1 6   19  30 o 65.31643 3.021984  916.4956       81.93760 798.8503       
119.4954 1020.898       112.5691 61.24417 4.647373 69.38869 3.864127 -8.144516 
6.043969 
1 1 1 6   19  31 o 45.88486 5.166696  481.4650       93.75848 383.9474       
141.1476 558.4722       125.4289 40.90353 8.501891 50.86619 5.873399 -9.962658 
10.33339 
1 1 1 6   19  32 o 95.70462 3.214680  1948.436       128.0122 2067.326       
196.7513 1861.163       168.5712 98.11625 4.776367 93.29300 4.303833 4.823250 
6.429359 
1 1 1 6   19  33 o 59.62062 3.981401  789.5860       97.62284 660.5193       
144.4662 898.0519       132.4360 54.77816 6.281740 64.46308 4.893460 -9.684917 
7.962801 
1 1 1 6   19  34 o 21.80844 6.187457  63.05824       87.51091 116.5312       
130.1094 18.88434       118.2563 24.34121 9.235633 19.27568 8.236600 5.065533 
12.37491 
1 1 1 6   19  35 o 31.35458 6.567275  242.6219       92.64192 281.1979       
136.8496 209.9881       125.8690 33.48498 9.369463 29.22419 9.204865 4.260794 
13.13455 
1 1 1 6   19  36 o 29.92516 6.650585  226.4122       94.65513 276.4386       
135.2740 178.4205       132.4944 32.81228 9.358947 27.03805 9.451519 5.774231 
13.30117 
1 1 1 6   19  37 o 64.80767 4.056204  951.8033       110.3256 969.1290       
155.1510 934.0821       156.9118 65.48068 5.643682 64.13466 5.827523 1.346024 
8.112409 
1 1 1 6   19  38 f 33.89536 6.468485  312.5209       100.4116 188.5808       
142.5197 434.6815       141.4928 26.73295 9.756197 41.05777 8.495989 -14.32483 
12.93697 
1 1 1 6   19  39 f 39.23640 6.462928  431.6914       105.9346 538.2194       
152.4959 332.3407       147.2691 44.97004 8.389203 33.50275 9.833568 11.46729 
12.92586 
1 1 1 6   19  40 o 64.65519 4.340908  1020.770       117.4190 943.3497       
166.9598 1096.536       165.1657 61.77752 6.437282 67.53285 5.825402 -5.755329 
8.681815 
1 1 1 6   20  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   20  1  o 57.62064 2.291293  612.2191       48.22360 880.9316       
103.0279 536.8328       54.57042 64.70005 3.792899 50.54122 2.571773 14.15883 
4.582586 
1 1 1 6   20  2  o 108.3622 2.068222  2469.461       91.70480 2463.086       
147.0986 2473.515       117.2870 108.2312 3.237257 108.4933 2.574945 
-0.2621689     4.136445 
1 1 1 6   20  3  o 97.65920 2.101844  2004.194       76.52571 2005.750       
147.2476 2003.618       89.57246 97.65569 3.591467 97.66272 2.184574 
-0.7034302E-02 4.203689 
1 1 1 6   20  4  o 352.2928 6.207799  26242.07       814.2502 26535.27       
1571.627 26134.50       951.9791 352.7648 10.61171 351.8208 6.445060 0.9440002 
12.41560 
1 1 1 6   20  5  o 225.5086 2.959382  10750.33       273.6798 10942.60       
352.9364 10460.36       433.4317 228.1086 3.685325 222.9085 4.631430 5.200134 
5.918764 
1 1 1 6   20  6  o 196.6791 2.945237  8102.112       239.1660 7944.505       
309.8013 8334.602       376.2689 194.3594 3.796634 198.9989 4.503693 -4.639435 
5.890473 
1 1 1 6   20  7  o 167.5359 2.580946  5917.554       180.8355 5696.658       
264.7272 6110.807       247.6100 164.5825 3.831210 170.4893 3.459330 -5.906769 
5.161892 
1 1 1 6   20  8  o 224.6359 3.176768  10602.92       297.5949 10759.61       
449.0328 10480.19       397.4059 226.0828 4.730766 223.1890 4.241140 2.893860 
6.353536 
1 1 1 6   20  9  f 170.0915 2.914320  6093.566       206.0757 6031.469       
313.3281 6140.906       273.5711 169.3009 4.408198 170.8821 3.813244 -1.581238 
5.828640 
1 1 1 6   20  10 f 235.3975 4.992798  11668.84       493.4291 11668.84       
493.4291 0.000000       0.000000 235.3975 4.992798 ?        ?        ? ? 
1 1 1 6   20  11 o 120.9674 3.223547  3068.891       161.8438 3152.865       
249.8890 3008.215       212.4138 122.3649 4.864199 119.5699 4.231381 2.795044 
6.447093 
1 1 1 6   20  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   20  13 o 160.5409 1.807978  5415.420       121.8571 5450.610       
172.3278 5380.227       172.3360 161.0630 2.548476 160.0188 2.565229 1.044266 
3.615956 
1 1 1 6   20  14 o 205.1278 2.266338  8813.642       183.2827 8942.605       
321.0587 8751.294       223.2321 206.1823 3.708978 204.0734 2.605501 2.108856 
4.532676 
1 1 1 6   20  15 o 160.3405 2.056134  5411.620       138.1330 5537.826       
190.7557 5272.478       200.2921 162.3169 2.799207 158.3642 3.012507 3.952713 
4.112269 
1 1 1 6   20  16 o 241.7456 2.457606  12281.64       249.2228 11997.65       
344.1012 12594.99       361.4469 238.8158 3.431975 244.6755 3.518643 -5.859650 
4.915211 
1 1 1 6   20  17 o 107.7650 1.835538  2441.063       83.04518 2437.355       
117.1105 2444.813       117.7796 107.6830 2.590418 107.8470 2.601257 
-0.1640167     3.671077 
1 1 1 6   20  18 o 198.2809 2.204283  8291.274       181.9790 8441.285       
243.4801 8101.418       273.9142 200.3469 2.894688 196.2150 3.325090 4.131943 
4.408565 
1 1 1 6   20  19 o 71.17355 2.105209  1063.748       62.80467 1152.791       
90.75420 981.9143       87.00294 74.02961 2.919997 68.31748 3.033354 5.712128 
4.210418 
1 1 1 6   20  20 o 84.64752 2.032434  1506.204       72.19290 1472.450       
100.1883 1542.657       104.1174 83.66328 2.852353 85.63177 2.896072 -1.968491 
4.064867 
1 1 1 6   20  21 o 138.9705 2.012933  4063.507       117.4002 4047.528       
168.1642 4078.701       163.9729 138.6994 2.887885 139.2415 2.804946 
-0.5420685     4.025867 
1 1 1 6   20  22 o 87.26546 2.169445  1596.917       79.31548 1465.602       
108.7986 1745.865       115.8734 83.44765 3.105490 91.08327 3.030165 -7.635628 
4.338891 
1 1 1 6   20  23 o 217.4654 2.295662  9922.888       207.2979 9741.815       
272.5241 10171.51       319.3363 215.1609 3.016912 219.7699 3.460997 -4.608994 
4.591325 
1 1 1 6   20  24 o 91.83244 2.210704  1772.853       85.14104 1660.990       
118.3221 1892.965       122.6075 88.82847 3.172742 94.83641 3.079377 -6.007942 
4.421408 
1 1 1 6   20  25 o 73.57037 2.101193  1139.934       64.85696 1163.871       
90.70787 1114.897       92.77006 74.36539 2.905328 72.77537 3.036299 1.590019 
4.202385 
1 1 1 6   20  26 o 148.1309 2.421435  4622.458       150.5255 4518.619       
209.1496 4734.041       216.8073 146.4102 3.402566 149.8515 3.446147 -3.441284 
4.842870 
1 1 1 6   20  27 o 26.35833 5.094204  152.9318       60.21629 96.56573       
85.56464 208.2407       84.75846 22.11171 7.608171 30.60496 6.776384 -8.493254 
10.18841 
1 1 1 6   20  28 o 144.1699 2.282499  4371.251       137.5572 4228.263       
184.8767 4548.583       205.8851 141.5661 3.110599 146.7736 3.341166 -5.207565 
4.564999 
1 1 1 6   20  29 o 79.43242 2.386277  1331.310       79.45473 1440.610       
114.8103 1230.847       110.0713 82.56582 3.312088 76.29903 3.436183 6.266792 
4.772554 
1 1 1 6   20  30 o 89.25638 2.915341  1696.757       108.9865 1605.434       
156.5902 1782.559       151.7825 86.87601 4.293246 91.63676 3.945235 -4.760750 
5.830681 
1 1 1 6   20  31 o 79.40565 2.973832  1325.679       97.88201 1457.747       
153.6013 1235.379       127.0107 82.62356 4.428045 76.18774 3.970785 6.435814 
5.947664 
1 1 1 6   20  32 o 64.05739 3.366690  883.1266       90.43098 901.4326       
125.6820 863.4761       130.2159 64.79070 4.620421 63.32408 4.897970 1.466621 
6.733380 
1 1 1 6   20  33 o 41.90557 4.762864  387.4164       81.07703 479.1173       
123.7747 318.4996       107.3020 46.57982 6.329293 37.23133 7.118956 9.348492 
9.525727 
1 1 1 6   20  34 o 54.64510 4.038173  672.7450       88.06803 606.2797       
144.6965 711.8541       110.9942 51.99675 6.628314 57.29344 4.614414 -5.296696 
8.076346 
1 1 1 6   20  35 o 30.91130 5.961773  232.8360       80.02989 275.0850       
116.6438 195.2584       110.0063 33.53281 8.315616 28.28979 8.545261 5.243017 
11.92355 
1 1 1 6   20  36 o 36.56776 5.634289  323.0819       84.34039 414.1221       
126.1802 249.5594       113.3926 41.54391 7.509725 31.59161 8.401482 9.952303 
11.26858 
1 1 1 6   20  37 o 46.72812 4.704227  508.0745       92.18204 520.3989       
134.1468 497.0480       126.8862 47.18068 6.772316 46.27557 6.531059 0.9051056 
9.408454 
1 1 1 6   20  38 o 22.17498 6.280059  77.92988       97.69724 -40.99209      
141.2370 187.0392       135.2846 17.81339 8.189720 26.53657 9.522871 -8.723186 
12.56012 
1 1 1 6   20  39 o 27.74557 6.210952  216.4229       89.69403 103.3521       
130.1288 318.7639       123.8007 21.60815 8.898289 33.88300 8.667418 -12.27486 
12.42190 
1 1 1 6   21  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   21  1  o 111.6109 1.976975  2639.788       90.23677 2525.934       
143.3472 2714.517       116.1345 109.5790 3.115896 113.6427 2.434113 -4.063683 
3.953949 
1 1 1 6   21  2  o 131.1775 2.995886  3647.741       129.4701 3588.810       
295.4875 3661.743       144.0321 130.3702 5.398608 131.9848 2.599300 -1.614548 
5.991772 
1 1 1 6   21  3  o 215.3893 3.925645  9719.610       320.8399 9972.417       
603.2020 9619.871       378.8804 217.0652 6.619020 213.7133 4.222713 3.351837 
7.851289 
1 1 1 6   21  4  o 149.7311 2.584787  4749.529       142.7554 4649.907       
277.7117 4785.308       166.4271 148.5709 4.452270 150.8913 2.627126 -2.320389 
5.169574 
1 1 1 6   21  5  o 160.0640 2.292231  5382.576       152.9220 5430.536       
231.0508 5345.190       203.9959 160.6814 3.425019 159.4467 3.047383 1.234665 
4.584463 
1 1 1 6   21  6  o 120.0681 2.104259  3030.187       106.0660 2991.904       
148.9819 3069.534       151.0392 119.2993 2.974520 120.8369 2.977221 -1.537643 
4.208518 
1 1 1 6   21  7  o 62.87275 2.089249  834.4177       54.80426 867.3327       
74.38265 795.3312       81.05656 64.24031 2.757942 61.50520 3.139044 2.735115 
4.178498 
1 1 1 6   21  8  o 150.1994 2.238878  4744.917       141.0889 4541.812       
199.3529 4948.745       199.7072 146.9730 3.230771 153.4258 3.100391 -6.452789 
4.477757 
1 1 1 6   21  9  o 94.16501 2.028379  1853.865       79.64288 1784.364       
105.7793 1944.832       121.0162 92.14358 2.734367 96.18643 2.996753 -4.042854 
4.056759 
1 1 1 6   21  10 o 204.7052 3.322863  8837.740       285.2206 8492.419       
407.9860 9167.841       398.8933 200.7678 4.840301 208.6427 4.553807 -7.874954 
6.645726 
1 1 1 6   21  11 o 200.3298 4.804939  8455.633       404.1219 0.000000       
0.000000 8455.633       404.1219 ?        ?        200.3298 4.804939 ? ? 
1 1 1 6   21  12 o 241.6596 8.543295  12408.29       866.7789 12408.29       
866.7789 0.000000       0.000000 241.6596 8.543295 ?        ?        ? ? 
1 1 1 6   21  13 o 222.6280 3.509257  10055.40       223.8224 9915.790       
239.8345 10997.45       623.0065 217.2089 2.629997 228.0471 6.507123 -10.83824 
7.018514 
1 1 1 6   21  14 o 79.00254 1.895479  1311.609       62.85403 1324.964       
90.06237 1298.927       87.76039 79.39370 2.701957 78.61138 2.659097 0.7823181 
3.790958 
1 1 1 6   21  15 o 26.69882 3.999156  162.0095       44.57839 224.6398       
60.75417 88.96205       65.61250 32.64985 4.432166 20.74779 6.657994 11.90206 
7.998312 
1 1 1 6   21  16 o 183.3932 2.597522  7065.561       199.3173 6909.843       
269.6818 7253.018       295.8925 181.1890 3.545202 185.5975 3.797371 -4.408493 
5.195045 
1 1 1 6   21  17 o 124.3329 1.899608  3250.479       99.15375 3289.219       
140.3318 3211.856       140.1176 125.0738 2.672458 123.5920 2.700371 1.481773 
3.799215 
1 1 1 6   21  18 o 163.5057 2.436889  5621.665       166.3596 5565.100       
223.3074 5692.211       249.3824 162.6064 3.271046 164.4051 3.613029 -1.798752 
4.873779 
1 1 1 6   21  19 o 88.50478 1.984790  1649.892       73.62532 1693.368       
102.0567 1602.709       106.3178 89.72847 2.709146 87.28109 2.901395 2.447380 
3.969580 
1 1 1 6   21  20 o 167.8402 2.325533  5908.591       163.5391 5572.579       
222.8647 6300.618       240.7251 162.6935 3.262812 172.9870 3.314584 -10.29349 
4.651065 
1 1 1 6   21  21 o 43.74213 3.074366  403.9260       56.42961 413.3347       
79.18576 394.2178       80.43596 44.26438 4.261022 43.21988 4.432899 1.044502 
6.148732 
1 1 1 6   21  22 o 154.7531 2.063222  5037.206       133.5660 5056.713       
197.6287 5020.804       181.2180 155.0140 3.036687 154.4921 2.793935 0.5219879 
4.126444 
1 1 1 6   21  23 o 171.5248 2.464530  6196.030       177.4656 6243.756       
252.6550 6149.553       249.3266 172.1750 3.495254 170.8745 3.475461 1.300552 
4.929060 
1 1 1 6   21  24 o 54.47385 2.762808  625.7261       63.18312 619.4100       
89.35454 632.0421       89.35431 54.19768 3.926965 54.75003 3.887337 
-0.5523453     5.525617 
1 1 1 6   21  25 o 119.7779 2.085370  3018.189       104.8142 3154.589       
150.3682 2889.283       146.1798 122.4108 2.925886 117.1449 2.972248 5.265900 
4.170739 
1 1 1 6   21  26 o 78.88121 2.269806  1317.832       74.70293 1244.624       
110.0901 1380.306       101.6998 76.81975 3.413474 80.94267 2.992703 -4.122925 
4.539612 
1 1 1 6   21  27 o 119.2400 2.437117  2988.521       121.5396 2859.011       
163.5700 3148.168       181.6074 116.3879 3.347471 122.0922 3.542964 -5.704308 
4.874234 
1 1 1 6   21  28 o 60.15784 2.666413  764.5750       67.28919 797.1899       
97.56234 734.9841       92.92921 61.37761 3.786111 58.93808 3.755582 2.439529 
5.332826 
1 1 1 6   21  29 o 36.66005 3.593060  286.8834       55.26003 272.3660       
77.61671 301.8063       78.69337 35.70792 5.177400 37.61217 4.983457 -1.904255 
7.186120 
1 1 1 6   21  30 o 78.79112 3.342424  1322.255       110.0300 1362.042       
164.8741 1290.306       147.7435 79.80017 4.921184 77.78208 4.524283 2.018089 
6.684847 
1 1 1 6   21  31 f 75.49474 3.378792  1204.229       106.2185 1371.425       
163.4208 1081.928       139.7684 79.93378 4.869654 71.05569 4.685235 8.878082 
6.757585 
1 1 1 6   21  32 o 59.37608 3.640602  794.3470       86.74458 586.3329       
130.3105 959.8709       116.2421 51.78820 5.993349 66.96394 4.134695 -15.17574 
7.281204 
1 1 1 6   21  33 o 27.93884 6.193489  181.7593       87.82432 76.57841       
133.0827 262.9036       116.8913 22.67817 9.121812 33.19951 8.380321 -10.52135 
12.38698 
1 1 1 6   21  34 o 99.43656 3.543293  2174.368       145.3891 2076.051       
224.1222 2245.802       191.0400 97.08414 5.498670 101.7890 4.470383 -4.704849 
7.086585 
1 1 1 6   21  35 o 50.95546 4.594160  586.3901       97.23495 606.8173       
149.5657 571.4363       127.9684 51.46399 6.922286 50.44692 6.042118 1.017067 
9.188320 
1 1 1 6   21  36 o 29.70719 6.430685  213.7496       92.09652 327.4819       
138.3463 123.2395       123.4168 35.65583 9.187065 23.75855 9.000704 11.89728 
12.86137 
1 1 1 6   21  37 o 47.70252 4.813080  526.3798       95.60226 625.9473       
144.9922 449.7971       127.1601 51.73027 6.676069 43.67478 6.934915 8.055492 
9.626160 
1 1 1 6   21  38 o 39.42835 5.698002  398.6047       91.13406 443.0399       
130.6112 356.4458       127.2217 41.93753 7.706347 36.91916 8.395304 5.018372 
11.39600 
1 1 1 6   21  39 o 22.20014 6.289948  120.8359       89.75285 145.3758       
126.1558 95.68450       127.7180 23.31494 9.028433 21.08535 8.760205 2.229593 
12.57990 
1 1 1 6   22  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   22  1  o 184.7294 2.531338  7153.119       186.6086 7297.439       
319.3053 7078.259       229.9691 186.0441 4.088002 183.4147 2.986458 2.629471 
5.062676 
1 1 1 6   22  2  o 151.8283 2.825238  4874.635       162.7221 4819.219       
303.3297 4897.027       192.8146 151.0913 4.781857 152.5653 3.010268 -1.473984 
5.650475 
1 1 1 6   22  3  o 206.8047 3.698816  9022.173       292.1739 9067.171       
540.4327 9003.589       347.3048 206.8953 6.221743 206.7141 4.001860 0.1812439 
7.397633 
1 1 1 6   22  4  o 28.44875 3.304048  174.0119       38.17476 144.7936       
53.41731 204.5114       54.57585 25.74470 5.123957 31.15281 4.172770 -5.408102 
6.608097 
1 1 1 6   22  5  o 129.8786 1.876218  3549.975       102.1946 3394.100       
145.4977 3701.749       143.5715 127.0563 2.727603 132.7009 2.577007 -5.644630 
3.752437 
1 1 1 6   22  6  f 79.59315 1.909223  1333.547       63.64679 1223.901       
89.78864 1444.281       90.23331 76.29592 2.803117 82.89037 2.592889 -6.594452 
3.818446 
1 1 1 6   22  7  o 50.26026 2.294504  530.2578       48.36437 501.2660       
66.71716 562.3663       70.21165 48.81513 3.255399 51.70539 3.234405 -2.890263 
4.589008 
1 1 1 6   22  8  o 54.33657 2.263996  620.3639       51.60004 659.0251       
74.18185 584.1229       71.82228 55.97652 3.156552 52.69662 3.246366 3.279903 
4.527992 
1 1 1 6   22  9  o 99.49853 2.021041  2080.339       84.32811 1945.230       
117.8141 2222.280       120.7563 96.18433 2.917520 102.8127 2.797589 -6.628387 
4.042082 
1 1 1 6   22  10 o 155.4106 2.727239  5094.393       175.4823 5024.998       
270.7051 5144.689       230.4627 154.4576 4.174537 156.3636 3.510638 -1.905975 
5.454479 
1 1 1 6   22  11 o 79.73677 5.201144  1341.776       174.1151 0.000000       
0.000000 1341.776       174.1151 ?        ?        79.73677 5.201144 ? ? 
1 1 1 6   22  12 o 157.7011 3.645698  5234.993       239.3875 5353.754       
364.3975 5144.826       317.5144 159.2206 5.451263 156.1817 4.842331 3.038910 
7.291395 
1 1 1 6   22  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   22  14 o 235.9611 4.977976  11705.79       470.7202 12182.87       
801.4852 11454.58       581.5941 239.2338 7.979837 232.6884 5.953417 6.545410 
9.955952 
1 1 1 6   22  15 o 96.52577 2.016330  1973.593       81.12492 2150.311       
111.8718 1777.600       117.8147 101.1290 2.634912 91.92257 3.052800 9.206406 
4.032660 
1 1 1 6   22  16 o 77.22209 2.066185  1250.034       66.86110 1182.107       
91.22345 1328.881       98.28239 74.96452 2.898490 79.47965 2.945377 -4.515129 
4.132370 
1 1 1 6   22  17 o 104.3330 1.944110  2289.365       85.15241 2302.070       
121.1883 2276.976       119.6734 104.6181 2.759145 104.0478 2.739592 0.5703430 
3.888219 
1 1 1 6   22  18 o 160.7448 2.250679  5420.551       150.7955 5292.726       
200.4789 5587.097       228.8382 158.5928 3.010968 162.8967 3.346087 -4.303864 
4.501359 
1 1 1 6   22  19 o 25.74976 4.676228  146.6757       50.80312 154.2385       
69.00020 137.7221       75.07676 26.43723 6.297761 25.06229 6.914233 1.374939 
9.352455 
1 1 1 6   22  20 o 48.95121 2.764769  505.4355       56.23013 413.7560       
77.84251 605.4742       81.31387 44.29121 4.186203 53.61122 3.612684 -9.320015 
5.529538 
1 1 1 6   22  21 o 217.2238 3.141795  9903.883       284.4232 9537.553       
377.0547 10387.53       433.2436 212.6439 4.223501 221.8038 4.652477 -9.159927 
6.283590 
1 1 1 6   22  22 o 168.7513 2.087359  5991.211       147.8432 5796.000       
207.7512 6191.505       210.4386 165.9626 2.981634 171.5399 2.922007 -5.577301 
4.174717 
1 1 1 6   22  23 o 161.0685 2.486795  5465.629       168.1588 5485.396       
237.2815 5445.684       238.3469 161.3635 3.502512 160.7736 3.531147 0.5898743 
4.973589 
1 1 1 6   22  24 o 76.57036 2.116853  1237.118       67.88770 1179.705       
97.93265 1290.229       94.19196 74.84696 3.116552 78.29376 2.865548 -3.446800 
4.233706 
1 1 1 6   22  25 o 27.86378 4.905042  172.5671       58.36857 120.9741       
82.33046 224.7030       82.76247 23.80630 7.433867 31.92126 6.401199 -8.114962 
9.810083 
1 1 1 6   22  26 o 111.8578 2.443581  2641.370       114.7072 2659.720       
160.2485 2622.087       164.2672 112.2660 3.399905 111.4495 3.510699 0.8164749 
4.887163 
1 1 1 6   22  27 o 43.60320 3.197126  409.8672       56.96027 301.5343       
80.24907 519.8622       80.86238 37.64168 5.077992 49.56472 3.885930 -11.92303 
6.394252 
1 1 1 6   22  28 o 45.74181 3.217868  441.7165       61.55886 481.1415       
92.11041 409.8940       82.75402 47.56568 4.612497 43.91795 4.488158 3.647732 
6.435736 
1 1 1 6   22  29 o 123.6723 2.499453  3220.048       116.9770 3284.421       
220.4885 3194.832       137.9995 124.2918 4.225366 123.0528 2.671205 1.239082 
4.998905 
1 1 1 6   22  30 o 45.98456 4.880068  455.4791       88.98502 643.8687       
137.2432 318.8408       116.8823 54.55022 5.992603 37.41890 7.703827 17.13132 
9.760136 
1 1 1 6   22  31 o 53.11711 4.218039  619.1160       92.93044 573.8003       
139.3374 655.4233       124.7210 51.18034 6.484633 55.05387 5.396011 -3.873531 
8.436077 
1 1 1 6   22  32 o 22.82103 5.900347  81.30102       77.96008 176.5782       
118.4680 8.524722       103.5384 27.69833 8.952280 17.94372 7.688501 9.754608 
11.80069 
1 1 1 6   22  33 o 77.20158 3.549571  1273.828       113.9498 1484.779       
176.4611 1122.945       149.2370 82.54397 5.091958 71.85921 4.946695 10.68476 
7.099143 
1 1 1 6   22  34 o 18.84555 5.770131  -15.06332      90.65809 -140.8978      
139.4592 77.03126       119.3066 15.96653 7.606579 21.72458 8.678572 -5.758049 
11.54026 
1 1 1 6   22  35 o 98.75144 3.359125  2109.261       136.4709 2291.006       
219.1623 1994.160       174.4113 101.8250 5.126636 95.67787 4.341945 6.147141 
6.718250 
1 1 1 6   22  36 o 24.93079 6.422672  132.4315       90.33730 222.1664       
135.8691 61.33046       120.9422 29.23359 9.591295 20.62798 8.544585 8.605608 
12.84534 
1 1 1 6   22  37 o 60.77575 3.821374  825.7518       96.68079 912.7595       
148.9191 762.3621       127.1106 63.34870 5.599302 58.20280 5.201866 5.145901 
7.642747 
1 1 1 6   22  38 f 35.21372 6.417195  335.2769       95.60700 403.7809       
144.2129 281.5588       127.7046 38.51364 9.060186 31.91381 9.090357 6.599836 
12.83439 
1 1 1 6   22  39 o 48.69331 4.931012  595.7218       99.46912 600.1945       
152.6519 592.4214       131.1295 48.15657 7.550362 49.23004 6.344410 -1.073471 
9.862023 
1 1 1 6   23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   23  1  o 113.8604 2.308702  2778.283       100.4089 2609.953       
182.5700 2851.276       120.2241 111.2718 3.908099 116.4490 2.459104 -5.177208 
4.617405 
1 1 1 6   23  2  o 106.8825 2.370629  2338.036       94.61843 2553.442       
185.3482 2262.117       110.0363 110.0474 4.011709 103.7176 2.526998 6.329887 
4.741258 
1 1 1 6   23  3  o 61.09901 2.557784  750.1625       57.33736 861.6535       
116.7480 714.7228       65.82243 63.90458 4.351494 58.29344 2.689523 5.611137 
5.115568 
1 1 1 6   23  4  o 218.3607 2.786155  10023.59       247.1730 9945.795       
311.8535 10155.03       405.3673 217.3343 3.417775 219.3872 4.401073 -2.052902 
5.572309 
1 1 1 6   23  5  o 182.9033 2.463403  7027.178       188.7921 6787.613       
257.4812 7305.727       277.6418 179.5511 3.415691 186.2556 3.550559 -6.704483 
4.926805 
1 1 1 6   23  6  o 90.34869 1.833566  1721.991       69.25094 1644.531       
101.3679 1789.781       94.82992 88.42906 2.730402 92.26833 2.448013 -3.839264 
3.667133 
1 1 1 6   23  7  o 161.0753 2.230841  5415.586       134.7502 5557.349       
258.4177 5362.646       157.9191 162.4254 3.789564 159.7251 2.354955 2.700363 
4.461683 
1 1 1 6   23  8  o 104.5723 2.167505  2294.734       94.99390 2398.159       
139.4596 2205.212       129.7487 106.7613 3.111400 102.3833 3.018527 4.377930 
4.335010 
1 1 1 6   23  9  o 123.9700 2.379871  3238.067       123.3342 3197.933       
182.4751 3271.822       167.3469 123.2458 3.526570 124.6941 3.196632 -1.448311 
4.759742 
1 1 1 6   23  10 o 128.1393 2.522981  3448.353       134.8610 3532.974       
203.6073 3382.209       180.0098 129.5169 3.744451 126.7618 3.382428 2.755028 
5.045962 
1 1 1 6   23  11 o 166.9070 7.550362  5927.508       529.0800 5927.508       
529.0800 0.000000       0.000000 166.9070 7.550362 ?        ?        ? ? 
1 1 1 6   23  12 o 108.1958 2.677818  2454.730       120.9380 2367.740       
161.3844 2566.151       182.6468 106.0351 3.625207 110.3564 3.942171 -4.321304 
5.355636 
1 1 1 6   23  13 o 123.0246 2.744520  3167.664       140.9227 3004.581       
187.5677 3379.032       213.5380 119.4296 3.740822 126.6196 4.016940 -7.189941 
5.489040 
1 1 1 6   23  14 o 201.1979 4.422287  8568.135       366.1955 8656.962       
579.2310 8508.993       472.6340 201.8712 6.834371 200.5246 5.614077 1.346573 
8.844574 
1 1 1 6   23  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   23  16 o 147.3169 3.314638  4566.338       204.4067 4790.277       
303.3357 4380.064       276.6529 150.5927 4.797782 144.0411 4.574777 6.551666 
6.629276 
1 1 1 6   23  17 o 143.1526 1.914208  4315.910       114.7921 4403.573       
158.1505 4218.298       166.8822 144.7017 2.603262 141.6035 2.807096 3.098236 
3.828416 
1 1 1 6   23  18 o 170.7013 1.780443  6114.281       127.0461 6263.369       
189.6507 5992.911       171.1161 172.5730 2.617596 168.8296 2.414146 3.743423 
3.560886 
1 1 1 6   23  19 o 42.16090 3.040674  372.2324       53.55445 324.9383       
72.61696 428.6295       79.29816 39.24109 4.407761 45.08072 4.189801 -5.839630 
6.081347 
1 1 1 6   23  20 o 81.64088 2.115533  1402.565       72.50984 1395.049       
102.6847 1410.041       102.4046 81.42191 3.003901 81.85986 2.979680 
-0.4379501     4.231066 
1 1 1 6   23  21 o 203.7895 2.197304  8704.343       184.9935 8540.204       
239.9971 8944.642       290.3871 201.4775 2.837270 206.1016 3.355962 -4.624100 
4.394608 
1 1 1 6   23  22 o 38.25093 3.487769  309.5778       55.96142 297.1666       
79.57015 321.7252       78.71951 37.48484 5.056100 39.01702 4.805619 -1.532188 
6.975537 
1 1 1 6   23  23 o 105.5204 2.056751  2344.722       91.03288 2320.021       
131.1961 2367.657       126.4167 104.9774 2.976775 106.0635 2.838963 -1.086037 
4.113503 
1 1 1 6   23  24 o 58.51645 2.721658  722.1398       66.82488 742.8516       
96.53999 703.0871       92.59287 59.31889 3.876460 57.71401 3.821355 1.604877 
5.443316 
1 1 1 6   23  25 o 85.54140 2.007030  1523.835       71.62517 1706.030       
108.9954 1385.359       95.02271 89.98498 2.885088 81.09782 2.790868 8.887161 
4.014060 
1 1 1 6   23  26 o 74.59772 2.351187  1175.145       73.55460 1167.263       
106.3605 1182.370       101.8311 74.34731 3.407504 74.84814 3.240562 
-0.5008240     4.702374 
1 1 1 6   23  27 o 55.00872 2.868561  641.7659       66.17942 608.4684       
93.60984 675.0378       93.57384 53.56739 4.162383 56.45006 3.948309 -2.882668 
5.737123 
1 1 1 6   23  28 f 105.9016 2.020856  2361.050       89.72340 2206.361       
123.5374 2533.739       130.5270 102.2360 2.878164 109.5672 2.837534 -7.331131 
4.041711 
1 1 1 6   23  29 o 35.83656 5.448134  291.4458       81.61070 204.3594       
115.5283 378.1914       115.3020 29.93791 8.684835 41.73520 6.580447 -11.79729 
10.89627 
1 1 1 6   23  30 o 20.72082 6.018451  34.11158       84.49048 85.11826       
127.6836 -5.619956      112.6910 23.19872 9.062381 18.24291 7.922137 4.955811 
12.03690 
1 1 1 6   23  31 o 63.05610 3.651633  860.4833       95.58530 855.8240       
146.1696 863.9644       126.3434 62.76442 5.547084 63.34779 4.750531 
-0.5833702     7.303266 
1 1 1 6   23  32 o 40.97438 5.023657  399.1527       80.93933 276.6255       
120.4001 500.1845       109.3300 34.07479 8.447491 47.87397 5.439526 -13.79918 
10.04731 
1 1 1 6   23  33 o 23.09291 6.131842  91.78400       87.82370 -11.07661      
132.0206 173.4357       117.6250 19.04224 8.411749 27.14357 8.924149 -8.101334 
12.26368 
1 1 1 6   23  34 o 84.71813 3.630072  1572.674       128.4297 1641.115       
193.2943 1518.579       171.8459 86.20116 5.341053 83.23510 4.917607 2.966064 
7.260145 
1 1 1 6   23  35 o 58.58801 3.749579  764.7439       91.68229 747.3961       
136.1751 779.1272       123.9957 57.78132 5.613469 59.39471 4.972559 -1.613392 
7.499158 
1 1 1 6   23  36 o 35.62291 5.944786  331.9205       95.30240 174.0581       
139.4845 470.1392       130.5178 26.46447 9.652384 44.78134 6.942146 -18.31687 
11.88957 
1 1 1 6   23  37 o 35.79857 5.924751  319.1556       95.11335 512.5894       
143.6313 168.0853       126.9324 45.97315 7.441593 25.62398 9.221354 20.34917 
11.84950 
1 1 1 6   23  38 o 29.85318 6.685978  251.0881       95.31019 324.6560       
142.5818 191.6607       128.1484 33.49884 9.625787 26.20752 9.281889 7.291321 
13.37196 
1 1 1 6   23  39 o 21.15125 6.198907  93.89447       95.47385 8.043973       
142.6649 163.5287       128.4863 18.37465 8.366868 23.92786 9.148842 -5.553207 
12.39781 
1 1 1 6   24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   24  1  o 78.55652 2.089394  1250.305       64.12147 1429.292       
117.3260 1174.074       76.56811 82.38695 3.392009 74.72608 2.440601 7.660866 
4.178787 
1 1 1 6   24  2  o 52.54522 2.437994  608.8257       50.12511 498.6336       
83.68528 670.4775       62.59613 48.62793 4.099061 56.46251 2.640635 -7.834583 
4.875987 
1 1 1 6   24  3  o 105.4931 2.538674  2354.834       96.09398 2323.815       
195.2006 2364.757       110.3976 104.9367 4.430724 106.0494 2.479548 -1.112701 
5.077349 
1 1 1 6   24  4  o 81.73454 2.764580  1419.088       84.16157 1384.495       
161.0596 1432.083       98.71062 80.96440 4.738201 82.50468 2.849747 -1.540276 
5.529160 
1 1 1 6   24  5  o 79.15425 1.882614  1316.647       62.53534 1275.714       
86.93658 1360.536       90.02068 77.88072 2.658849 80.42777 2.665983 -2.547050 
3.765228 
1 1 1 6   24  6  o 190.0771 2.765958  7614.110       219.2831 7598.898       
293.6797 7633.278       329.6549 189.9077 3.683430 190.2465 4.127280 
-0.3388214     5.531916 
1 1 1 6   24  7  f 183.1657 2.577936  7068.729       198.1792 7048.966       
283.6400 7087.580       277.0129 182.9068 3.693676 183.4246 3.597190 
-0.5178680     5.155872 
1 1 1 6   24  8  o 23.89892 4.039070  120.6164       41.18509 185.0561       
62.53826 71.26554       54.72887 29.12940 5.310467 18.66844 6.087306 10.46096 
8.078140 
1 1 1 6   24  9  o 58.07845 2.241897  710.0679       54.59844 664.6331       
76.65264 756.8580       77.78758 56.18846 3.249384 59.96843 3.089645 -3.779972 
4.483794 
1 1 1 6   24  10 o 191.1160 4.183348  7676.654       304.6122 7891.065       
568.7591 7590.417       360.7062 192.6017 7.033787 189.6302 4.530720 2.971573 
8.366695 
1 1 1 6   24  11 o 20.60241 5.466322  57.15956       70.90993 120.7688       
86.12856 -76.67014      124.9290 23.98419 7.621360 17.22063 7.838212 6.763552 
10.93264 
1 1 1 6   24  12 o 151.6978 2.848323  4848.932       179.9012 4875.951       
272.8553 4828.153       239.2765 152.0293 4.274903 151.3663 3.765233 0.6629333 
5.696646 
1 1 1 6   24  13 o 110.2292 2.749370  2551.565       126.6988 2661.196       
189.5810 2463.079       170.3209 112.3453 4.019398 108.1132 3.752410 4.232124 
5.498740 
1 1 1 6   24  14 o 41.88171 4.323956  371.7880       70.85092 549.1265       
107.9378 237.5319       93.91584 50.96786 5.044269 32.79556 7.024367 18.17231 
8.647912 
1 1 1 6   24  15 o 163.6359 3.795979  5622.768       253.2090 5842.079       
414.0847 5491.786       320.0108 166.0208 5.940838 161.2511 4.726973 4.769745 
7.591958 
1 1 1 6   24  16 o 50.70591 4.299892  558.6502       87.86202 491.6507       
140.9756 601.2044       112.3515 48.07765 6.984280 53.33416 5.017581 -5.256508 
8.599784 
1 1 1 6   24  17 o 86.35751 4.009647  1572.272       145.3735 1572.272       
145.3735 0.000000       0.000000 86.35751 4.009647 ?        ?        ? ? 
1 1 1 6   24  18 o 46.86546 4.095916  462.7818       78.66126 337.3660       
106.5050 613.2984       116.6772 39.87201 6.362430 53.85891 5.159999 -13.98690 
8.191832 
1 1 1 6   24  19 o 88.93011 2.055217  1664.684       76.69570 1610.009       
108.7260 1718.835       108.2041 87.47223 2.960630 90.38799 2.851374 -2.915756 
4.110433 
1 1 1 6   24  20 o 310.9617 4.073697  20488.84       530.9601 20489.32       
730.3778 20488.31       773.2358 311.0486 5.592942 310.8748 5.924443 0.1738586 
8.147394 
1 1 1 6   24  21 o 62.80723 2.393020  830.2477       63.07151 865.2015       
90.57005 797.3368       87.88377 64.09082 3.365967 61.52364 3.402418 2.567177 
4.786040 
1 1 1 6   24  22 o 83.00287 2.207630  1449.700       76.83953 1475.047       
111.8083 1427.013       105.7774 83.68458 3.182362 82.32115 3.060570 1.363426 
4.415259 
1 1 1 6   24  23 o 97.29359 2.023809  1991.474       82.55083 1960.109       
113.3932 2026.842       120.4117 96.48592 2.799264 98.10127 2.923581 -1.615349 
4.047618 
1 1 1 6   24  24 o 118.4660 2.361727  2960.547       117.4119 2960.228       
168.5458 2960.848       163.6534 118.4511 3.389220 118.4808 3.290017 
-0.2967834E-01 4.723454 
1 1 1 6   24  25 o 43.37495 3.368528  399.5654       61.32822 390.9605       
86.89351 408.1063       86.56980 42.90324 4.824122 43.84665 4.702741 
-0.9434090     6.737057 
1 1 1 6   24  26 o 105.9748 2.061818  2368.847       91.73170 2387.397       
130.3213 2350.630       129.1432 106.3857 2.917785 105.5640 2.913915 0.8217087 
4.123635 
1 1 1 6   24  27 o 133.3296 2.125048  3721.589       118.4079 3417.070       
158.5132 4106.019       178.1012 127.2214 2.967743 139.4378 3.042337 -12.21644 
4.250096 
1 1 1 6   24  28 o 82.63690 2.596790  1466.998       88.27850 1339.953       
135.7555 1560.081       116.2021 79.40079 4.072430 85.87301 3.223133 -6.472221 
5.193580 
1 1 1 6   24  29 o 37.09653 5.475988  309.3402       81.03056 339.2193       
129.9140 290.3147       103.6668 38.37155 8.299234 35.82150 7.146221 2.550045 
10.95198 
1 1 1 6   24  30 o 66.23766 3.358087  942.5573       93.27329 881.5411       
130.4563 1006.367       133.4099 64.01093 4.854362 68.46437 4.641354 -4.453438 
6.716174 
1 1 1 6   24  31 o 23.21655 6.312513  92.93646       86.24898 121.8453       
130.2279 70.34823       115.1144 24.87129 9.286850 21.56180 8.552526 3.309490 
12.62503 
1 1 1 6   24  32 o 53.10381 3.931637  622.3388       86.48211 592.5527       
131.4743 645.0561       114.8190 51.76656 6.049407 54.44106 5.023520 -2.674500 
7.863274 
1 1 1 6   24  33 o 69.86192 3.733335  1074.960       108.8962 1050.266       
161.4589 1095.567       147.4920 68.94140 5.578313 70.78244 4.963224 -1.841042 
7.466671 
1 1 1 6   24  34 o 72.27248 3.779357  1148.875       113.5289 1218.159       
175.1474 1098.673       149.0903 73.91836 5.643810 70.62660 5.028078 3.291756 
7.558714 
1 1 1 6   24  35 o 17.80289 5.661217  -42.01589      90.28620 37.47013       
134.7449 -106.7800      121.6281 20.42040 8.761037 15.18538 7.172289 5.235027 
11.32243 
1 1 1 6   24  36 o 39.08929 5.874486  393.8024       94.87106 299.8671       
141.1258 471.2545       128.1471 33.38163 9.571427 44.79697 6.813673 -11.41534 
11.74897 
1 1 1 6   24  37 o 18.29336 5.788240  -11.65584      91.18352 55.19249       
139.4510 -61.58382      120.5170 20.66749 8.891392 15.91923 7.413369 4.748256 
11.57648 
1 1 1 6   24  38 o 17.94666 5.602004  22.53791       83.22422 -10.37179      
128.7541 46.15550       109.0729 17.46236 7.950662 18.43097 7.894097 
-0.9686165     11.20401 
1 1 1 6   24  39 o 25.48607 7.721045  166.8595       141.0349 373.1023       
244.1768 63.60798       172.7681 30.09896 12.25723 20.87318 9.392467 9.225786 
15.44209 
1 1 1 6   25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   25  1  o 237.4488 5.146238  11604.62       300.1176 12559.19       
989.9957 11508.02       314.9377 241.1227 9.779490 233.7748 3.208839 7.347885 
10.29248 
1 1 1 6   25  2  o 117.6794 2.313284  2929.365       111.5967 2852.426       
176.9442 2980.182       143.8034 116.3497 3.622365 119.0092 2.878125 -2.659492 
4.626568 
1 1 1 6   25  3  o 61.66208 2.374821  814.0298       58.95749 751.0853       
96.31514 851.7490       74.55836 59.69411 3.843122 63.63004 2.790970 -3.935928 
4.749642 
1 1 1 6   25  4  o 151.2807 2.732627  4824.041       173.1165 4818.667       
253.9453 4828.706       236.6195 151.1799 4.000986 151.3814 3.723051 
-0.2014771     5.465254 
1 1 1 6   25  5  o 80.61955 1.944129  1363.073       65.68265 1302.047       
89.63528 1433.841       96.52554 78.67873 2.713580 82.56038 2.784785 -3.881653 
3.888257 
1 1 1 6   25  6  o 72.18440 2.016373  1096.063       61.06131 1092.990       
84.67013 1099.394       88.14192 72.08192 2.797853 72.28687 2.904318 
-0.2049484     4.032747 
1 1 1 6   25  7  o 93.30605 1.905413  1822.495       74.09892 1900.083       
112.7206 1763.452       98.33056 95.03754 2.825069 91.57456 2.557612 3.462975 
3.810826 
1 1 1 6   25  8  o 58.14808 2.305096  711.5765       56.23866 705.4553       
78.02631 718.1946       81.13151 57.89042 3.210373 58.40574 3.308683 
-0.5153160     4.610193 
1 1 1 6   25  9  f 164.9691 2.729209  5691.774       184.9154 5944.605       
296.6350 5531.078       236.4884 167.8799 4.208670 162.0584 3.475836 5.821457 
5.458419 
1 1 1 6   25  10 o 24.00674 8.092858  115.3363       96.73199 0.000000       
0.000000 115.3363       96.73199 ?        ?        24.00674 8.092858 ? ? 
1 1 1 6   25  11 o 62.06256 2.750083  808.3246       71.10208 839.4036       
108.3205 784.7960       94.24873 63.09281 4.089326 61.03231 3.678212 2.060493 
5.500167 
1 1 1 6   25  12 o 23.03341 5.271094  106.5181       58.49224 137.3461       
87.75074 81.86819       78.46673 25.27469 7.631569 20.79214 7.273024 4.482552 
10.54219 
1 1 1 6   25  13 o 177.9646 3.536644  6686.101       263.9377 6834.750       
384.2056 6553.256       363.2075 179.8146 5.089320 176.1146 4.912251 3.700058 
7.073287 
1 1 1 6   25  14 o 60.15213 2.910449  748.3739       72.77045 904.4478       
111.7799 633.5705       95.86858 65.49421 4.065201 54.81005 4.166172 10.68415 
5.820898 
1 1 1 6   25  15 o 211.2173 4.126020  9442.303       364.4552 9547.884       
541.0893 9354.625       493.0841 212.2172 6.073087 210.2175 5.586928 1.999619 
8.252040 
1 1 1 6   25  16 f 141.2959 3.155479  4215.718       186.9845 4162.166       
269.7924 4265.218       259.3865 140.4123 4.576629 142.1795 4.345418 -1.767166 
6.310958 
1 1 1 6   25  17 o 197.6538 4.158847  8271.510       344.9379 8513.145       
497.4980 8047.812       478.6779 200.4214 5.912462 194.8862 5.850370 5.535172 
8.317694 
1 1 1 6   25  18 o 188.2477 6.029223  7515.269       476.5078 0.000000       
0.000000 7515.269       476.5078 ?        ?        188.2477 6.029223 ? ? 
1 1 1 6   25  19 o 160.0073 4.654800  5408.824       312.6942 5408.824       
312.6942 0.000000       0.000000 160.0073 4.654800 ?        ?        ? ? 
1 1 1 6   25  20 o 64.55473 2.777387  854.2931       71.01186 808.1320       
86.01327 953.1115       125.8478 61.93893 3.307675 67.17053 4.462601 -5.231602 
5.554774 
1 1 1 6   25  21 o 100.3921 2.247000  2123.031       94.69075 2068.878       
133.2291 2178.311       134.6074 99.09573 3.202324 101.6884 3.152961 -2.592697 
4.494001 
1 1 1 6   25  22 o 71.28465 2.300082  1069.911       68.79428 1111.780       
99.37769 1031.384       95.32822 72.62154 3.259451 69.94776 3.246151 2.673782 
4.600165 
1 1 1 6   25  23 o 58.04663 2.655324  711.8020       64.70247 696.7372       
91.18072 727.0817       91.82895 57.42537 3.781989 58.66789 3.728209 -1.242519 
5.310648 
1 1 1 6   25  24 o 107.5294 2.165542  2438.934       97.75657 2445.124       
137.5867 2432.623       138.9203 107.6704 3.043695 107.3885 3.081267 0.2819138 
4.331084 
1 1 1 6   25  25 o 112.6463 2.373823  2679.043       112.1421 2644.413       
154.5885 2717.508       162.9254 111.8925 3.290768 113.4000 3.422131 -1.507492 
4.747646 
1 1 1 6   25  26 o 78.18713 2.207597  1284.859       72.16415 1130.838       
98.61893 1462.389       105.8784 73.15429 3.211009 83.21999 3.030405 -10.06570 
4.415194 
1 1 1 6   25  27 o 71.38468 2.425593  1073.846       72.39899 946.4067       
99.04267 1220.084       106.0962 66.83993 3.529453 75.92944 3.328209 -9.089508 
4.851187 
1 1 1 6   25  28 o 92.09576 3.154842  1811.693       121.4194 1800.782       
180.2274 1820.761       164.3013 91.76509 4.678046 92.42643 4.234148 
-0.6613388     6.309684 
1 1 1 6   25  29 o 32.44008 5.894356  234.0600       79.98283 310.9259       
128.1939 185.0654       102.3469 36.51883 8.510790 28.36133 8.157218 8.157495 
11.78871 
1 1 1 6   25  30 o 84.34227 3.252396  1530.381       114.4407 1532.672       
171.6915 1528.550       153.5164 84.28297 4.852104 84.40157 4.332367 
-0.1185989     6.504792 
1 1 1 6   25  31 o 43.84076 4.748626  453.3150       80.31519 293.7897       
116.6911 596.9072       110.7104 35.26059 8.055594 52.42093 5.030426 -17.16034 
9.497252 
1 1 1 6   25  32 o 76.91570 3.298963  1288.767       106.0632 1160.216       
150.5575 1415.417       149.4406 72.95440 4.915549 80.87698 4.401137 -7.922585 
6.597926 
1 1 1 6   25  33 o 85.55354 3.439773  1584.086       121.9206 1716.844       
191.2224 1493.151       158.2604 88.31911 5.157094 82.78799 4.553298 5.531120 
6.879545 
1 1 1 6   25  34 o 54.72138 4.304945  663.4372       97.87399 803.0427       
150.8004 561.8279       128.6524 59.63666 6.022966 49.80610 6.152569 9.830563 
8.609891 
1 1 1 6   25  35 o 40.07945 5.684894  399.5321       92.90916 352.6729       
139.9023 436.5042       124.2694 36.89948 9.080445 43.25943 6.842336 -6.359943 
11.36979 
1 1 1 6   25  36 o 22.77260 6.333549  109.3520       90.79614 61.15806       
136.7213 147.3764       121.4426 21.01050 8.912923 24.53470 9.000844 -3.524200 
12.66710 
1 1 1 6   25  37 o 26.78332 6.825025  199.9148       95.99257 171.3621       
179.0717 211.4281       113.7107 25.67791 10.48337 27.88873 8.742019 -2.210821 
13.65005 
1 1 1 6   25  38 o 38.15017 6.334969  417.9414       99.93607 376.1751       
147.3901 453.4822       135.9624 35.37742 9.656091 40.92292 8.202879 -5.545502 
12.66994 
1 1 1 6   26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   26  1  o 36.16834 3.294051  281.0532       49.26538 241.0936       
72.55702 315.2336       67.10544 33.71528 5.125942 38.62140 4.138575 -4.906116 
6.588101 
1 1 1 6   26  2  o 179.8841 3.094348  6863.438       217.7819 6771.861       
384.1417 6906.814       264.3737 178.7707 5.118187 180.9975 3.479098 -2.226761 
6.188696 
1 1 1 6   26  3  o 96.52077 2.518973  1949.145       96.10428 2007.179       
168.0431 1920.937       117.1544 97.51486 4.104600 95.52667 2.921158 1.988190 
5.037947 
1 1 1 6   26  4  o 122.4273 2.089924  3154.555       105.4918 3153.514       
136.8408 3156.081       165.6215 122.4333 2.662178 122.4212 3.222413 
0.1215363E-01  4.179849 
1 1 1 6   26  5  o 162.8284 2.456064  5589.864       167.0350 5631.276       
225.5474 5539.564       248.5742 163.5272 3.285253 162.1297 3.651865 1.397583 
4.912128 
1 1 1 6   26  6  o 180.4366 2.634434  6844.422       199.2207 7141.580       
292.4253 6587.048       272.1476 184.0710 3.783996 176.8023 3.666382 7.268738 
5.268869 
1 1 1 6   26  7  o 32.60120 3.772326  236.7907       48.25624 322.1042       
68.08031 150.6486       68.41013 39.07756 4.149685 26.12483 6.300944 12.95272 
7.544652 
1 1 1 6   26  8  o 37.31123 3.442265  309.2729       50.11883 393.2381       
69.03496 215.6977       72.87859 43.19493 3.806777 31.42752 5.736305 11.76740 
6.884529 
1 1 1 6   26  9  o 26.91343 4.922230  154.6415       57.99510 226.5505       
86.05367 94.80170       78.50063 32.07980 6.615356 21.74706 7.290435 10.33274 
9.844460 
1 1 1 6   26  10 o 42.78735 6.747115  389.1085       121.2027 389.1085       
121.2027 0.000000       0.000000 42.78735 6.747115 ?        ?        ? ? 
1 1 1 6   26  11 o 101.9861 2.746304  2189.688       116.3924 2211.488       
178.1384 2173.450       153.7491 102.3994 4.143630 101.5728 3.605422 0.8266296 
5.492608 
1 1 1 6   26  12 o 91.00388 2.726837  1741.642       102.9589 1771.064       
158.8079 1720.309       135.2294 91.63838 4.127773 90.36938 3.564273 1.269005 
5.453673 
1 1 1 6   26  13 o 68.24068 2.829968  980.0907       80.31086 994.7048       
122.6925 969.1349       106.2311 68.66525 4.256004 67.81610 3.731128 0.8491516 
5.659937 
1 1 1 6   26  14 o 92.35160 2.600132  1790.588       100.0130 1847.509       
152.3221 1747.453       132.5994 93.61775 3.875481 91.08545 3.467478 2.532303 
5.200265 
1 1 1 6   26  15 o 95.78822 2.669064  1942.315       106.6022 1851.914       
158.1538 2017.584       144.3119 93.71079 4.019861 97.86565 3.512310 -4.154854 
5.338128 
1 1 1 6   26  16 o 174.8213 4.015026  6436.354       284.8713 6630.625       
470.0836 6323.604       358.1199 176.6929 6.336902 172.9496 4.932078 3.743347 
8.030051 
1 1 1 6   26  17 o 204.1729 3.801774  8836.582       321.2897 8774.124       
496.8156 8881.479       421.2275 203.3999 5.817891 204.9459 4.895517 -1.546005 
7.603548 
1 1 1 6   26  18 o 84.47733 2.894839  1504.230       101.3188 1518.171       
156.8130 1494.241       132.7480 84.77686 4.405810 84.17780 3.756223 0.5990601 
5.789679 
1 1 1 6   26  19 o 56.46411 3.487065  673.4789       82.51753 699.4423       
121.1045 650.9788       112.7389 57.46900 5.019354 55.45922 4.841958 2.009785 
6.974129 
1 1 1 6   26  20 o 53.17149 8.356302  609.5321       186.5400 0.000000       
0.000000 609.5321       186.5400 ?        ?        53.17149 8.356302 ? ? 
1 1 1 6   26  21 o 238.9019 4.388458  12155.80       439.4350 12568.18       
643.8980 11796.30       601.2062 242.6142 6.321526 235.1896 6.088726 7.424606 
8.776917 
1 1 1 6   26  22 o 42.57539 3.904392  361.2718       66.83353 305.7425       
81.42364 475.9384       117.0060 37.92722 5.113526 47.22357 5.901607 -9.296345 
7.808784 
1 1 1 6   26  23 o 68.22635 2.304407  982.4271       65.99821 1004.555       
94.07577 960.9821       92.61259 68.98393 3.248261 67.46876 3.269553 1.515175 
4.608815 
1 1 1 6   26  24 o 84.51392 2.224092  1502.336       78.75996 1390.230       
107.8183 1630.601       115.3274 81.14311 3.164912 87.88471 3.125648 -6.741600 
4.448184 
1 1 1 6   26  25 o 22.63381 4.896575  103.5392       55.80423 33.96372       
78.98605 172.8793       78.85232 17.52616 7.036576 27.74146 6.811197 -10.21530 
9.793151 
1 1 1 6   26  26 o 95.13976 2.248986  1912.609       89.76868 1873.959       
124.2039 1954.880       129.8911 94.14262 3.142462 96.13688 3.218182 -1.994255 
4.497972 
1 1 1 6   26  27 o 72.15874 2.370046  1103.587       71.78663 1087.928       
101.9994 1118.955       101.0505 71.64345 3.391112 72.67403 3.311924 -1.030586 
4.740093 
1 1 1 6   26  28 o 103.0845 3.129273  2276.145       134.1330 2254.218       
203.6470 2292.946       178.2627 102.5061 4.732053 103.6629 4.095983 -1.156876 
6.258546 
1 1 1 6   26  29 o 106.2458 3.607193  2431.664       159.8155 2511.125       
241.9424 2370.154       212.8658 107.6243 5.354548 104.8673 4.834892 2.756966 
7.214386 
1 1 1 6   26  30 o 60.75694 3.933747  817.5820       98.73674 683.6796       
143.4839 938.0215       136.0798 55.70787 6.134904 65.80600 4.925487 -10.09813 
7.867495 
1 1 1 6   26  31 o 43.53163 4.486209  423.6580       81.23271 408.6542       
121.9487 435.6257       108.9140 42.64481 6.811331 44.41845 5.840382 -1.773636 
8.972419 
1 1 1 6   26  32 o 83.15262 3.297687  1480.329       113.1880 1646.277       
180.5609 1372.903       145.2758 86.72791 4.958906 79.57732 4.348355 7.150581 
6.595373 
1 1 1 6   26  33 f 30.74846 6.027555  245.5236       84.38131 151.1225       
134.7166 306.4715       108.2460 25.72094 9.475718 35.77599 7.452279 -10.05505 
12.05511 
1 1 1 6   26  34 o 41.02477 4.940000  392.3413       83.11317 428.2048       
125.8748 364.6198       110.6677 42.88008 6.992046 39.16946 6.980380 3.710613 
9.880000 
1 1 1 6   26  35 o 45.24198 4.730285  472.1609       86.62662 595.7722       
132.4795 379.8315       114.4958 50.84439 6.206213 39.63957 7.140399 11.20482 
9.460569 
1 1 1 6   26  36 o 33.25889 5.874415  280.6532       81.78031 359.4645       
126.1782 223.5649       107.3900 37.30947 8.273980 29.20831 8.341240 8.101162 
11.74883 
1 1 1 6   26  37 o 21.40068 5.944168  88.61441       80.28378 178.9636       
124.5915 24.46224       104.9861 25.37326 9.135451 17.42810 7.607631 7.945158 
11.88834 
1 1 1 6   26  38 o 40.46897 5.243560  433.7716       83.74120 391.6984       
133.5450 461.0355       107.5027 37.14806 8.705571 43.78988 5.847454 -6.641815 
10.48712 
1 1 1 6   27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   27  2  o 33.78174 3.741627  250.9251       47.06058 235.4362       
84.71927 257.8373       56.59556 32.63944 6.410934 34.92404 3.859926 -2.284599 
7.483254 
1 1 1 6   27  3  o 145.8670 2.842605  4509.680       167.6887 4452.689       
276.2092 4542.947       211.0302 144.9962 4.537354 146.7378 3.425496 -1.741684 
5.685209 
1 1 1 6   27  4  o 20.80225 4.378225  93.13323       47.97025 -7.511946      
79.66268 150.3889       60.08522 15.50366 6.695596 26.10083 5.643086 -10.59717 
8.756451 
1 1 1 6   27  5  o 27.51560 3.944402  165.4072       44.89451 97.71483       
61.87594 240.6563       65.23826 21.30639 6.403386 33.72482 4.607590 -12.41843 
7.888804 
1 1 1 6   27  6  o 149.8488 2.372532  4739.261       148.4374 4801.222       
200.4318 4663.997       220.9022 150.9682 3.162294 148.7293 3.537730 2.238922 
4.745064 
1 1 1 6   27  7  o 56.84084 2.427374  679.8638       57.87053 704.1979       
84.13129 658.0099       79.72864 57.80252 3.466825 55.87915 3.398487 1.923370 
4.854749 
1 1 1 6   27  8  o 167.8855 2.426183  5916.010       169.9594 5740.659       
226.6611 6141.240       256.8837 165.0839 3.270343 170.6871 3.584734 -5.603195 
4.852366 
1 1 1 6   27  9  o 111.9172 3.368148  2686.317       145.4315 2549.607       
260.4362 2748.263       175.3113 109.6547 5.657117 114.1797 3.657144 -4.524994 
6.736295 
1 1 1 6   27  10 o 103.4000 3.066504  2224.288       118.7045 2185.137       
138.7421 2331.229       229.3028 101.8599 3.244337 104.9401 5.204620 -3.080177 
6.133009 
1 1 1 6   27  11 o 194.7854 3.682345  8030.973       298.5005 8037.318       
453.0449 8026.107       396.8096 194.7458 5.541077 194.8251 4.851302 
-0.7928467E-01 7.364691 
1 1 1 6   27  12 o 167.4586 3.760203  5935.447       256.1913 5950.935       
417.4282 5926.088       324.4939 167.4531 5.937583 167.4640 4.615366 
-0.1091003E-01 7.520405 
1 1 1 6   27  13 o 103.1036 2.906264  2238.546       124.6287 2278.597       
190.4095 2208.528       164.8450 103.8734 4.366216 102.3337 3.836880 1.539742 
5.812528 
1 1 1 6   27  14 o 119.8608 2.787360  3023.699       139.8069 3117.748       
207.5193 2945.537       189.1838 121.5440 4.066736 118.1777 3.813025 3.366310 
5.574720 
1 1 1 6   27  15 o 76.49489 2.820515  1188.823       88.64226 1470.898       
144.7627 1019.617       112.1197 83.46849 4.131000 69.52128 3.841362 13.94721 
5.641030 
1 1 1 6   27  16 o 58.28886 3.458381  712.9103       84.14443 777.7006       
127.6392 663.1099       111.9038 60.59769 5.017056 55.98003 4.761380 4.617661 
6.916762 
1 1 1 6   27  17 o 63.04047 3.401987  850.3324       89.01292 723.3248       
128.2445 968.3987       123.6478 58.40080 5.230474 67.68014 4.351573 -9.279339 
6.803973 
1 1 1 6   27  18 f 57.94272 3.602796  714.0359       87.13247 692.7615       
129.2974 731.7349       117.9331 57.11401 5.392227 58.77143 4.779587 -1.657425 
7.205593 
1 1 1 6   27  19 o 117.8068 2.949446  2930.480       143.9872 2965.594       
222.8130 2905.302       188.6754 118.3428 4.484559 117.2708 3.832187 1.072052 
5.898892 
1 1 1 6   27  20 o 34.77945 5.215896  257.1171       75.67105 378.8510       
115.8900 166.6410       99.90952 42.05539 6.563646 27.50351 8.108072 14.55188 
10.43179 
1 1 1 6   27  21 o 35.08887 5.471139  266.9940       78.39893 364.0603       
121.5229 197.7935       102.6074 40.47824 7.428186 29.69949 8.034643 10.77874 
10.94228 
1 1 1 6   27  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   27  23 o 63.99358 3.385897  856.9385       90.18039 1019.667       
137.8727 735.2631       119.2197 69.22154 4.744147 58.76561 4.832212 10.45594 
6.771795 
1 1 1 6   27  24 o 79.40860 2.361348  1320.777       78.21504 1226.752       
103.6784 1444.968       119.1550 76.17728 3.241782 82.63992 3.434341 -6.462631 
4.722695 
1 1 1 6   27  25 o 27.54703 4.820580  171.1787       55.51913 174.4629       
78.92920 167.9624       78.10903 27.80814 6.806462 27.28593 6.828181 0.5222111 
9.641160 
1 1 1 6   27  26 o 36.83302 3.543019  290.6620       54.61025 287.9123       
74.15376 293.9206       80.72514 36.67228 4.816331 36.99375 5.197585 
-0.3214684     7.086038 
1 1 1 6   27  27 o 36.61637 4.965314  316.0752       70.73612 246.9288       
116.5486 356.3993       89.00311 32.56767 8.452210 40.66507 5.213204 -8.097397 
9.930628 
1 1 1 6   27  28 o 49.87933 4.335487  535.5786       89.90264 609.8493       
139.5807 482.9226       117.5276 52.72757 6.305342 47.03107 5.952181 5.696499 
8.670974 
1 1 1 6   27  29 o 35.75316 5.444046  292.9980       78.48575 335.4771       
122.2665 263.2257       102.3591 37.86318 7.945090 33.64314 7.444869 4.220043 
10.88809 
1 1 1 6   27  30 o 29.68042 5.831770  183.1557       83.58626 358.3880       
130.1389 60.10518       109.0541 38.81841 8.235119 20.54244 8.259599 18.27597 
11.66354 
1 1 1 6   27  31 o 90.04033 3.381321  1771.664       127.2430 1709.029       
186.8937 1825.782       173.7245 88.37073 5.037410 91.70994 4.511966 -3.339211 
6.762643 
1 1 1 6   27  32 o 34.66032 5.763366  309.4528       87.39987 174.7569       
136.0750 404.0418       114.0305 27.07524 9.567122 42.24540 6.429287 -15.17016 
11.52673 
1 1 1 6   27  33 o 36.28178 5.815405  344.2441       89.50561 213.7214       
140.2914 433.8425       116.2353 28.94534 9.746134 43.61822 6.347331 -14.67288 
11.63081 
1 1 1 6   27  34 o 42.69144 5.112671  428.9555       86.33701 458.9694       
142.9522 411.7209       108.3252 42.94973 8.220957 42.43315 6.080584 0.5165787 
10.22534 
1 1 1 6   27  35 o 61.54678 3.917085  856.9932       97.66562 880.2390       
160.8906 843.4293       122.8996 61.58045 6.223131 61.51310 4.758871 
0.6735611E-01  7.834170 
1 1 1 6   27  36 o 60.90747 3.771612  802.5950       89.74919 988.2375       
165.4959 725.2527       106.8211 64.84583 6.078918 56.96911 4.466207 7.876713 
7.543225 
1 1 1 6   27  37 o 61.97939 3.884943  881.4572       96.40964 981.8226       
165.7313 830.1214       118.5286 63.66486 6.200489 60.29393 4.682421 3.370930 
7.769886 
1 1 1 6   28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   28  2  o 104.5184 3.153939  2197.677       103.4083 2509.792       
259.9609 2139.007       112.7092 108.3037 5.717234 100.7332 2.665063 7.570435 
6.307878 
1 1 1 6   28  3  o 128.9740 2.808040  3493.148       140.3072 3598.371       
254.6592 3447.285       168.1270 130.1463 4.660675 127.8017 3.133444 2.344597 
5.616080 
1 1 1 6   28  4  o 93.11222 1.958572  1832.045       76.34012 1744.420       
110.5407 1911.942       105.5543 90.96099 2.894596 95.26345 2.639191 -4.302460 
3.917143 
1 1 1 6   28  5  o 73.23070 2.098548  1130.664       64.48918 1132.926       
89.88462 1128.263       92.57796 73.31120 2.920358 73.15019 3.014485 0.1610031 
4.197096 
1 1 1 6   28  6  o 68.46090 2.126691  985.4071       61.03732 940.1938       
83.61668 1036.979       89.30327 66.78667 2.982113 70.13512 3.032864 -3.348450 
4.253382 
1 1 1 6   28  7  o 92.74741 2.076636  1787.089       80.23328 1610.429       
105.7456 2026.771       123.1715 87.42822 2.880923 98.06659 2.991646 -10.63837 
4.153271 
1 1 1 6   28  8  o 125.4413 2.500722  3291.964       122.5691 3399.323       
219.2464 3243.157       147.8275 126.7980 4.118519 124.0846 2.837646 2.713402 
5.001443 
1 1 1 6   28  9  o 94.89996 4.722005  1907.899       188.1358 0.000000       
0.000000 1907.899       188.1358 ?        ?        94.89996 4.722005 ? ? 
1 1 1 6   28  10 o 133.4996 3.061245  3772.408       171.1453 3726.645       
250.2226 3812.636       234.6036 132.7000 4.491349 134.2993 4.160851 -1.599304 
6.122491 
1 1 1 6   28  11 o 70.08978 2.867953  1040.195       83.73456 1019.866       
125.8707 1056.334       112.1504 69.44366 4.317309 70.73591 3.776435 -1.292244 
5.735906 
1 1 1 6   28  12 o 58.18823 3.100014  713.9641       75.58263 779.0596       
110.1447 656.0318       103.9078 60.69321 4.322595 55.68326 4.444719 5.009945 
6.200028 
1 1 1 6   28  13 f 121.5937 2.956943  3117.091       148.4451 3172.608       
232.9424 3079.129       192.6238 122.4280 4.531989 120.7593 3.799359 1.668671 
5.913887 
1 1 1 6   28  14 o 28.02061 5.595669  177.1776       69.55580 133.4649       
109.1997 207.0203       90.22709 25.55568 8.598597 30.48554 7.163113 -4.929861 
11.19134 
1 1 1 6   28  15 o 121.3614 2.910076  3093.414       143.0577 3193.062       
237.3210 3036.538       179.2950 122.7762 4.604081 119.9465 3.560422 2.829704 
5.820152 
1 1 1 6   28  16 o 29.28828 5.813198  192.4389       78.64186 104.6578       
117.0522 264.6633       106.1746 24.15433 8.839048 34.42223 7.552766 -10.26790 
11.62640 
1 1 1 6   28  17 o 58.19438 3.614080  721.4483       87.89589 698.4108       
129.4248 741.1689       119.7458 57.29167 5.380804 59.09710 4.826309 -1.805424 
7.228161 
1 1 1 6   28  18 f 80.61978 2.891623  1365.418       97.25362 1464.594       
147.8224 1289.728       129.1381 83.15756 4.234085 78.08201 3.939349 5.075554 
5.783247 
1 1 1 6   28  19 o 121.1482 2.735716  3105.692       138.7833 3100.734       
203.6299 3109.993       189.6531 121.0231 4.007694 121.2733 3.724910 
-0.2502213     5.471432 
1 1 1 6   28  20 o 149.9598 3.241217  4774.599       203.9325 4822.799       
294.2982 4730.076       282.8505 150.6611 4.652727 149.2585 4.513766 1.402573 
6.482434 
1 1 1 6   28  21 o 105.8099 3.008379  2384.297       133.1445 2225.118       
192.1724 2531.247       184.6428 102.3413 4.472611 109.2784 4.024565 -6.937088 
6.016758 
1 1 1 6   28  22 o 105.6726 2.926309  2353.813       128.8666 2500.634       
196.7110 2243.430       170.5629 108.4874 4.318875 102.8578 3.949740 5.629585 
5.852617 
1 1 1 6   28  23 o 64.22694 3.377873  867.2829       90.01379 961.7002       
140.8409 802.0846       117.0364 67.08997 5.000257 61.36390 4.542855 5.726063 
6.755746 
1 1 1 6   28  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   28  25 o 45.22137 4.562917  434.4742       85.57870 528.2042       
133.6290 369.3026       111.4270 49.25412 6.462184 41.18863 6.443681 8.065487 
9.125834 
1 1 1 6   28  26 o 86.46864 2.221155  1585.390       80.61321 1545.957       
114.0789 1624.720       113.9299 85.38327 3.182391 87.55402 3.099436 -2.170753 
4.442309 
1 1 1 6   28  27 o 85.50432 2.955508  1555.621       99.59694 1594.013       
174.6512 1537.119       121.2434 85.99672 4.837387 85.01192 3.397029 0.9848022 
5.911016 
1 1 1 6   28  28 o 71.30949 3.080130  1090.723       88.70893 1104.259       
147.2918 1083.018       111.1230 71.42402 4.911967 71.19498 3.717710 0.2290421 
6.160259 
1 1 1 6   28  29 o 43.65548 4.767161  444.5786       78.32390 393.0573       
134.8037 470.8354       96.23425 40.77015 8.163730 46.54081 4.925119 -5.770668 
9.534322 
1 1 1 6   28  30 o 21.90046 5.761417  96.39144       72.13394 29.41470       
127.1582 128.1718       87.59148 20.14043 8.571470 23.66049 7.701012 -3.520058 
11.52283 
1 1 1 6   28  31 o 55.77779 3.835246  709.9013       82.94151 625.8384       
142.9596 752.5540       101.8322 52.59793 6.473896 58.95764 4.114016 -6.359707 
7.670492 
1 1 1 6   28  32 o 75.84681 2.978228  1235.870       91.24151 1312.371       
153.0483 1193.690       113.6450 77.30181 4.715848 74.39181 3.638699 2.910004 
5.956455 
1 1 1 6   28  33 o 44.94073 4.118965  452.7430       71.79969 469.7790       
129.1859 445.1285       86.36772 44.91557 6.850768 44.96588 4.574982 
-0.5030441E-01 8.237929 
1 1 1 6   28  34 o 20.96444 5.971207  71.78555       75.97639 123.3624       
134.9000 47.82512       91.94582 23.66933 9.299387 18.25955 7.492841 5.409781 
11.94241 
1 1 1 6   28  35 o 20.79390 5.976993  74.22592       76.56592 121.8679       
137.0800 52.62317       92.30687 23.26724 9.299626 18.32057 7.510974 4.946671 
11.95399 
1 1 1 6   28  36 o 71.50238 3.248435  1138.485       90.31026 1207.270       
162.7301 1107.871       108.5629 72.07985 5.377435 70.92491 3.645890 1.154938 
6.496870 
1 1 1 6   28  37 o 25.92090 5.916793  123.3816       81.32661 387.9884       
144.7762 1.389589       98.30202 35.98576 9.458153 15.85604 7.111760 20.12972 
11.83359 
1 1 1 6   29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   29  2  o 98.13395 3.077052  1910.030       100.2965 2286.891       
236.7504 1827.601       110.7231 103.2377 5.462272 93.03018 2.834885 10.20753 
6.154103 
1 1 1 6   29  3  o 51.51012 2.772097  544.9536       56.22765 614.3763       
100.9754 513.7524       67.69389 53.73023 4.476285 49.29002 3.271233 4.440205 
5.544195 
1 1 1 6   29  4  o 54.11548 2.263952  616.1259       51.22837 590.8946       
68.87740 647.3634       76.63812 52.89182 3.101768 55.33914 3.298629 -2.447327 
4.527905 
1 1 1 6   29  5  o 115.8516 2.042239  2832.011       99.31447 2895.558       
140.5679 2768.674       140.3362 117.1555 2.857884 114.5477 2.918128 2.607735 
4.084479 
1 1 1 6   29  6  o 106.6549 2.124985  2392.567       94.98791 2584.594       
138.7101 2222.999       130.3461 110.6752 2.985236 102.6346 3.024999 8.040588 
4.249970 
1 1 1 6   29  7  o 53.22225 2.477668  597.0746       55.26403 550.3714       
76.15242 649.0355       80.32466 51.02418 3.554911 55.42032 3.452240 -4.396141 
4.955336 
1 1 1 6   29  8  o 80.51456 2.433448  1372.767       81.87302 1332.999       
120.7769 1406.579       111.3666 79.40532 3.622891 81.62380 3.249820 -2.218483 
4.866895 
1 1 1 6   29  9  o 91.46311 5.254119  1781.701       201.7553 1781.701       
201.7553 0.000000       0.000000 91.46311 5.254119 ?        ?        ? ? 
1 1 1 6   29  10 o 138.5739 2.796482  4064.217       159.9579 4060.688       
250.0499 4066.661       208.1102 138.4205 4.302761 138.7272 3.573163 
-0.3066559     5.592964 
1 1 1 6   29  11 o 55.46548 3.206230  651.1081       74.24927 750.2979       
107.8173 561.6342       102.4006 59.50149 4.316001 51.42946 4.742548 8.072033 
6.412459 
1 1 1 6   29  12 o 107.4880 2.768709  2444.559       124.9295 2461.385       
175.7148 2427.359       177.6552 107.8697 3.879986 107.1064 3.950786 0.7632523 
5.537418 
1 1 1 6   29  13 o 80.38905 2.723180  1359.823       91.44856 1435.332       
137.7013 1300.243       122.3169 82.35400 3.982670 78.42411 3.714993 3.929893 
5.446359 
1 1 1 6   29  14 o 147.7586 2.921839  4607.518       179.0742 4728.751       
277.0236 4520.497       234.7037 149.3284 4.418709 146.1888 3.824080 3.139633 
5.843678 
1 1 1 6   29  15 o 57.47333 3.008294  698.5990       72.27641 715.9454       
107.8669 684.4655       97.36629 58.09719 4.422362 56.84947 4.079465 1.247723 
6.016587 
1 1 1 6   29  16 o 52.50820 3.822710  579.0081       83.54193 695.1280       
126.7848 489.9021       111.0625 57.10737 5.288055 47.90904 5.521677 9.198330 
7.645420 
1 1 1 6   29  17 o 98.74199 2.832041  2043.024       115.7440 2194.460       
182.0388 1940.258       149.9591 101.7211 4.262593 95.76286 3.729897 5.958267 
5.664083 
1 1 1 6   29  18 o 31.48460 5.366884  231.5448       74.42704 125.0897       
115.2046 307.8047       97.50674 25.09716 8.809445 37.87204 6.132491 -12.77489 
10.73377 
1 1 1 6   29  19 f 26.84004 5.997789  141.9166       76.68597 228.5964       
122.2825 85.72974       98.45150 31.73510 8.849267 21.94497 8.098418 9.790129 
11.99558 
1 1 1 6   29  20 o 72.74237 3.038191  1119.890       92.26509 1165.543       
139.1151 1084.038       123.2804 74.02291 4.476402 71.46183 4.109045 2.561081 
6.076382 
1 1 1 6   29  21 o 123.2676 2.900467  3228.611       149.1728 3222.599       
223.5919 3233.433       200.2562 123.0816 4.326970 123.4536 3.863699 
-0.3719788     5.800934 
1 1 1 6   29  22 o 39.08993 4.889513  340.4247       77.47747 316.5037       
116.1672 359.5906       103.9820 37.36963 7.667970 40.81024 6.068903 -3.440613 
9.779026 
1 1 1 6   29  23 o 27.25341 5.922095  167.6900       74.92604 139.3973       
112.0235 190.5919       100.7877 25.62214 8.709062 28.88467 8.027272 -3.262526 
11.84419 
1 1 1 6   29  24 o 68.42891 3.332340  1014.505       94.60880 900.4707       
139.3844 1111.926       128.8318 64.69314 5.131888 72.16468 4.252258 -7.471542 
6.664681 
1 1 1 6   29  25 o 26.99886 5.510658  124.6273       78.61700 315.2132       
121.4121 -12.97858      103.1656 36.86272 8.066583 17.13498 7.509971 19.72774 
11.02132 
1 1 1 6   29  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   29  27 o 75.36114 3.450335  1223.949       108.6990 1076.142       
148.8111 1393.023       159.1571 70.43254 5.032491 80.28973 4.721575 -9.857193 
6.900669 
1 1 1 6   29  28 o 80.74077 2.892259  1380.515       91.79115 1465.171       
163.0701 1341.251       111.0562 82.19799 4.725352 79.28355 3.336419 2.914444 
5.784518 
1 1 1 6   29  29 o 58.66183 3.476362  720.3931       81.52150 853.4008       
142.9429 656.2789       99.24329 62.24117 5.470234 55.08250 4.291495 7.158676 
6.952725 
1 1 1 6   29  30 o 49.65329 3.917722  514.8820       77.54955 652.2064       
138.0679 451.5919       93.73169 53.92463 6.098552 45.38195 4.919538 8.542675 
7.835444 
1 1 1 6   29  31 o 46.43185 4.206421  449.0597       77.75971 607.6877       
139.7238 377.8854       93.59269 51.65260 6.443164 41.21111 5.409395 10.44149 
8.412842 
1 1 1 6   29  32 o 88.85159 2.820834  1646.812       95.84867 1892.784       
181.8577 1552.203       112.7854 92.67551 4.673991 85.02768 3.159465 7.647835 
5.641667 
1 1 1 6   29  33 o 23.20576 5.993464  126.9409       75.65189 86.08255       
133.3848 146.3173       91.85509 22.03172 9.030046 24.37980 7.883193 -2.348083 
11.98693 
1 1 1 6   29  34 o 66.68649 3.571652  973.4917       93.12017 1083.474       
168.1665 924.8549       111.8304 68.55351 5.842931 64.81946 4.109373 3.734055 
7.143304 
1 1 1 6   29  35 o 33.92759 5.979586  291.0753       80.93140 379.4803       
142.7487 249.1985       98.24727 36.85549 9.235611 30.99969 7.597714 5.855797 
11.95917 
1 1 1 6   29  36 o 20.04505 5.729301  66.79721       68.57852 165.1436       
130.1840 29.02429       80.68053 24.11419 9.212281 15.97592 6.814209 8.138269 
11.45860 
1 1 1 6   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   30  2  o 41.43943 4.329115  367.0237       75.31679 0.000000       
0.000000 367.0237       75.31679 ?        ?        41.43943 4.329115 ? ? 
1 1 1 6   30  3  o 93.67818 3.209405  1866.905       118.4491 1902.475       
207.6091 1849.738       144.2267 94.04762 5.257989 93.30873 3.681667 0.7388916 
6.418810 
1 1 1 6   30  4  o 43.51548 3.280508  401.3324       57.19523 415.3385       
97.24690 393.9253       70.72002 43.98198 5.266500 43.04898 3.912917 0.9329948 
6.561017 
1 1 1 6   30  5  o 31.73552 3.435717  215.3089       45.76353 218.5848       
64.30464 211.9471       65.14229 31.98833 4.788194 31.48270 4.928470 0.5056362 
6.871435 
1 1 1 6   30  6  o 63.17302 2.250395  844.2134       59.65893 871.3163       
84.24866 816.9532       84.49280 64.19855 3.125784 62.14748 3.238301 2.051064 
4.500791 
1 1 1 6   30  7  o 12.58899 4.016591  -33.15057      45.43813 -22.91993      
63.23957 -44.06869      65.32983 12.92221 5.752267 12.25577 5.607446 0.6664419 
8.033182 
1 1 1 6   30  8  o 63.79331 2.705498  861.6891       72.39047 916.7902       
104.1084 810.1097       100.7265 65.77462 3.770063 61.81201 3.881432 3.962612 
5.410997 
1 1 1 6   30  9  o 88.39757 3.146195  1725.566       109.1247 1869.518       
135.9226 1464.524       183.0373 94.01033 3.443794 82.78480 5.266353 11.22553 
6.292391 
1 1 1 6   30  10 o 97.50336 2.617716  1997.082       106.2824 2133.543       
162.9738 1896.099       140.1967 100.3398 3.868702 94.66689 3.527449 5.672958 
5.235432 
1 1 1 6   30  11 o 19.40166 5.092314  52.21986       61.02008 -29.56304      
93.59129 112.6889       80.47677 15.82715 7.025261 22.97618 7.373760 -7.149027 
10.18463 
1 1 1 6   30  12 o 68.59203 2.805836  999.7836       80.58817 950.0682       
116.2850 1045.726       111.7859 66.91789 4.139067 70.26616 3.789325 -3.348267 
5.611672 
1 1 1 6   30  13 o 79.47533 2.626645  1337.506       87.44611 1335.094       
127.9408 1339.620       119.7956 79.38496 3.838768 79.56570 3.586212 
-0.1807327     5.253290 
1 1 1 6   30  14 o 27.77723 5.467416  173.2543       66.11482 169.1135       
94.09598 177.2920       92.91614 27.47577 7.795624 28.07868 7.668037 
-0.6029072     10.93483 
1 1 1 6   30  15 o 106.6136 2.694663  2404.910       120.2180 2449.720       
178.0513 2367.368       162.9751 107.4894 3.945486 105.7377 3.671237 1.751686 
5.389326 
1 1 1 6   30  16 o 25.45937 5.590678  141.4687       66.98223 110.4289       
96.45258 170.3826       93.09119 23.37881 8.074489 27.53993 7.734686 -4.161119 
11.18136 
1 1 1 6   30  17 o 20.67626 5.734935  51.55532       74.42134 99.06476       
107.7028 8.143749       102.9531 23.17038 8.478726 18.18213 7.724578 4.988251 
11.46987 
1 1 1 6   30  18 o 90.91164 2.861441  1759.035       108.7882 1708.394       
159.7208 1802.859       148.5819 89.63571 4.244255 92.18755 3.838969 -2.551842 
5.722883 
1 1 1 6   30  19 o 72.54189 3.022829  1110.684       90.71992 1172.928       
142.4619 1068.225       117.6610 74.16546 4.575284 70.91830 3.951803 3.247154 
6.045657 
1 1 1 6   30  20 o 25.50735 6.269350  127.9699       82.35432 177.7488       
125.8400 90.67893       108.9174 28.36140 9.230523 22.65331 8.486250 5.708086 
12.53870 
1 1 1 6   30  21 o 43.99230 4.299283  420.1547       79.16289 406.6258       
115.3443 432.2018       108.8447 43.25900 6.350979 44.72559 5.796583 -1.466591 
8.598565 
1 1 1 6   30  22 o 101.2389 3.127483  2168.979       131.1068 2323.123       
205.7367 2063.581       170.1245 104.1149 4.706738 98.36293 4.119612 5.751930 
6.254965 
1 1 1 6   30  23 o 69.52403 3.181185  1035.170       92.71534 1049.158       
135.2355 1022.763       127.3574 69.93249 4.606094 69.11559 4.389039 0.8169022 
6.362370 
1 1 1 6   30  24 o 74.91544 3.126164  1204.660       98.22499 1196.368       
141.8375 1212.302       136.1587 74.62814 4.526989 75.20274 4.312538 
-0.5746078     6.252329 
1 1 1 6   30  25 o 62.44565 3.353449  838.2626       87.69560 887.5546       
129.7694 796.8309       118.9733 64.09972 4.822111 60.79159 4.661516 3.308128 
6.706899 
1 1 1 6   30  26 o 52.43275 4.145418  603.8691       91.20387 630.1771       
131.3011 579.3412       126.7811 53.54384 5.840903 51.32166 5.884031 2.222183 
8.290836 
1 1 1 6   30  27 o 47.86567 4.567501  511.6123       91.75816 527.3381       
130.1203 496.0569       129.4139 48.63568 6.372519 47.09566 6.545170 1.540020 
9.135001 
1 1 1 6   30  28 o 50.61922 6.446231  575.5175       136.9936 575.5175       
136.9936 0.000000       0.000000 50.61922 6.446231 ?        ?        ? ? 
1 1 1 6   30  29 o 27.47963 6.517605  178.5799       90.56776 235.9651       
130.6382 125.4760       125.6705 30.67549 9.321473 24.28377 9.111906 6.391720 
13.03521 
1 1 1 6   30  30 o 53.87327 3.826740  623.0181       81.22298 714.0023       
145.6622 581.9630       97.84701 56.16302 6.177568 51.58351 4.518119 4.579517 
7.653480 
1 1 1 6   30  31 o 56.02029 3.895885  717.4760       85.34866 661.6229       
146.5742 746.1287       104.9823 53.62309 6.510685 58.41748 4.280499 -4.794392 
7.791771 
1 1 1 6   30  32 o 15.34344 5.029434  -49.54645      72.75497 -88.00678      
131.9777 -32.75599      87.20179 16.24665 7.620072 14.44023 6.566226 1.806421 
10.05887 
1 1 1 6   30  33 o 62.64696 3.247892  828.1968       81.62186 1028.133       
142.8700 731.3222       99.44907 67.62032 5.032514 57.67360 4.107190 9.946724 
6.495783 
1 1 1 6   30  34 o 34.39040 5.854636  303.2942       79.86594 345.5193       
139.2687 282.6035       97.48914 35.22600 9.284829 33.55479 7.134353 1.671204 
11.70927 
1 1 1 6   30  35 o 23.36929 6.134825  147.2764       78.45418 136.0309       
138.5912 152.5794       95.17118 22.96689 9.279371 23.77169 8.027302 
-0.8048019     12.26965 
1 1 1 6   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   31  2  o 28.43920 5.857236  182.8998       67.54121 0.000000       
0.000000 182.8998       67.54121 ?        ?        28.43920 5.857236 ? ? 
1 1 1 6   31  3  f 20.64197 5.488012  55.18808       60.44487 136.6055       
114.0572 23.39219       71.27702 25.22365 8.773858 16.06028 6.594885 9.163372 
10.97602 
1 1 1 6   31  4  o 92.15479 3.306236  1905.259       114.1548 1635.252       
207.9820 2021.670       136.5637 86.75403 5.710276 97.55553 3.334297 -10.80151 
6.612472 
1 1 1 6   31  5  o 40.14846 3.479387  349.6715       57.70016 366.8531       
76.32063 326.7493       88.15308 41.40689 4.390262 38.89003 5.399086 2.516857 
6.958774 
1 1 1 6   31  6  o 44.41714 2.739817  420.0777       51.08234 426.2307       
71.93885 413.8201       72.54768 44.75255 3.828836 44.08173 3.919999 0.6708183 
5.479633 
1 1 1 6   31  7  o 44.05840 2.900936  417.6742       53.10299 468.1196       
73.42915 362.3640       76.88814 46.93207 3.726661 41.18473 4.446765 5.747337 
5.801872 
1 1 1 6   31  8  o 69.08617 3.434175  1010.182       89.98538 1050.256       
169.5067 994.4561       106.1830 69.74193 5.789140 68.43042 3.695956 1.311508 
6.868351 
1 1 1 6   31  9  o 59.25887 2.804245  746.6080       69.75089 768.8713       
99.20792 724.8449       98.08692 60.13932 3.929243 58.37842 4.002025 1.760902 
5.608490 
1 1 1 6   31  10 o 78.74091 2.462059  1312.600       81.14518 1334.005       
119.9141 1294.518       110.2120 79.30587 3.601522 78.17595 3.357970 1.129921 
4.924117 
1 1 1 6   31  11 o 49.06096 3.165023  516.1463       64.39063 492.7675       
97.76241 534.0591       85.57409 48.00776 4.850444 50.11416 4.067269 -2.106396 
6.330046 
1 1 1 6   31  12 o 134.2829 3.186607  3839.338       179.4814 4076.163       
259.0960 3620.850       248.8634 138.2782 4.463010 130.2876 4.549659 7.990616 
6.373214 
1 1 1 6   31  13 o 62.23532 2.983262  818.7623       76.95432 1016.283       
113.7684 652.1669       104.4832 69.16709 3.917809 55.30355 4.500020 13.86354 
5.966524 
1 1 1 6   31  14 o 31.72663 5.112823  228.4800       66.68575 216.5871       
95.25439 239.9116       93.38903 30.86426 7.429523 32.58899 7.026098 -1.724728 
10.22565 
1 1 1 6   31  15 o 33.81886 5.071056  258.3377       69.88663 291.6923       
100.2974 226.8604       97.43404 36.06121 6.871739 31.57649 7.459332 4.484722 
10.14211 
1 1 1 6   31  16 o 71.59484 2.874375  1074.148       85.38006 1196.193       
133.6702 990.0410       110.9660 74.93360 4.248925 68.25608 3.872307 6.677521 
5.748749 
1 1 1 6   31  17 o 83.45613 2.783624  1485.546       97.20701 1415.086       
141.1590 1549.095       134.0586 81.51546 4.124673 85.39680 3.739162 -3.881332 
5.567249 
1 1 1 6   31  18 o 65.16512 3.168932  912.3781       86.00175 784.3892       
121.9501 1039.010       121.3021 60.50865 4.800494 69.82159 4.138089 -9.312943 
6.337864 
1 1 1 6   31  19 o 19.92782 5.668176  43.86197       72.34669 75.96022       
111.4130 20.45924       95.13239 21.86938 8.481233 17.98626 7.522071 3.883120 
11.33635 
1 1 1 6   31  20 o 118.2359 2.904436  2975.959       143.6376 3073.521       
213.8934 2895.825       193.8507 119.9280 4.248132 116.5438 3.961863 3.384186 
5.808871 
1 1 1 6   31  21 o 109.2782 2.958634  2522.632       132.6712 2698.925       
214.2831 2413.045       168.9475 112.1524 4.550932 106.4041 3.781940 5.748337 
5.917268 
1 1 1 6   31  22 o 21.56820 5.743802  65.57072       78.25168 -33.59231      
115.9841 148.4210       106.0157 17.36321 7.757895 25.77319 8.472314 -8.409973 
11.48760 
1 1 1 6   31  23 o 18.31704 5.558741  8.766564       76.54032 -20.43777      
120.1567 28.70909       99.29205 18.09717 8.005637 18.53692 7.714153 
-0.4397564     11.11748 
1 1 1 6   31  24 f 93.62521 3.092178  1898.356       119.9501 1812.565       
182.5721 1963.513       159.1084 91.54147 4.750482 95.70896 3.959694 -4.167488 
6.184355 
1 1 1 6   31  25 o 30.94393 5.956555  228.2835       79.08282 243.8449       
118.7497 215.8816       106.0112 31.80149 8.661624 30.08637 8.179150 1.715118 
11.91311 
1 1 1 6   31  26 o 68.84467 3.649318  1030.729       105.1042 958.6616       
141.5589 1119.266       156.9021 66.21748 5.091968 71.47185 5.228952 -5.254364 
7.298635 
1 1 1 6   31  27 o 33.45248 6.328366  277.1415       90.48451 277.9901       
132.4109 276.3981       123.9377 33.40102 9.168100 33.50393 8.725756 
-0.1029091     12.65673 
1 1 1 6   31  28 o 103.4342 3.564757  2352.340       154.7149 2264.645       
214.7282 2447.017       223.1125 101.4306 5.042445 105.4378 5.040209 -4.007210 
7.129514 
1 1 1 6   31  29 o 46.10562 5.172055  504.4311       95.55796 393.4167       
134.2847 618.3173       136.0105 39.99963 8.276550 52.21161 6.204781 -12.21198 
10.34411 
1 1 1 6   31  30 o 25.61196 9.415509  156.3253       132.9492 156.3253       
132.9492 0.000000       0.000000 25.61196 9.415509 ?        ?        ? ? 
1 1 1 6   31  31 o 37.69456 6.031639  367.2754       94.09979 288.0380       
135.0831 441.9751       131.1581 32.92412 9.340068 42.46500 7.634515 -9.540886 
12.06328 
1 1 1 6   31  32 o 66.97763 3.411669  991.2460       91.49750 1042.607       
155.7716 964.1910       113.0563 67.69294 5.481077 66.26232 4.063956 1.430618 
6.823338 
1 1 1 6   31  33 o 27.32158 5.634729  213.3159       76.76721 77.85400       
136.2873 276.2686       92.90820 21.21508 8.944091 33.42809 6.855942 -12.21302 
11.26946 
1 1 1 6   31  34 o 25.11581 5.952999  114.7035       77.46490 339.3151       
141.2280 18.04529       92.64539 33.89789 9.528939 16.33373 7.138075 17.56417 
11.90600 
1 1 1 6   31  35 o 52.34548 4.392663  661.0977       89.59743 692.3721       
158.8277 646.5000       108.5116 51.83092 7.298917 52.86004 4.889558 -1.029121 
8.785327 
1 1 1 6   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   32  2  o 74.67507 4.566305  1208.872       143.1593 0.000000       
0.000000 1208.872       143.1593 ?        ?        74.67507 4.566305 ? ? 
1 1 1 6   32  3  o 41.99720 4.739135  382.3986       83.55997 0.000000       
0.000000 382.3986       83.55997 ?        ?        41.99720 4.739135 ? ? 
1 1 1 6   32  4  o 32.15323 5.144242  265.6220       66.77515 151.7263       
119.2745 317.6161       80.58813 26.06177 8.981210 38.24470 5.019042 -12.18294 
10.28848 
1 1 1 6   32  5  o 55.78674 3.599869  641.0197       79.83829 782.6288       
142.4029 576.1025       96.41695 59.83698 5.668529 51.73650 4.438922 8.100479 
7.199739 
1 1 1 6   32  6  o 46.36026 3.278251  463.5139       63.36922 533.7742       
90.85569 396.9570       88.42880 49.85877 4.340419 42.86174 4.914111 6.997025 
6.556502 
1 1 1 6   32  7  o 57.45880 2.760573  705.7346       66.49072 714.2302       
91.85502 696.3829       96.37167 57.85303 3.781794 57.06457 4.022573 0.7884636 
5.521146 
1 1 1 6   32  8  o 20.80912 7.886358  75.51337       94.77904 0.000000       
0.000000 75.51337       94.77904 ?        ?        20.80912 7.886358 ? ? 
1 1 1 6   32  9  o 70.41576 2.660597  1056.576       78.63308 1055.777       
109.8953 1057.414       112.5605 70.40083 3.718111 70.43067 3.806672 
-0.2983856E-01 5.321194 
1 1 1 6   32  10 o 99.64290 2.784855  2115.307       116.4259 2186.537       
168.3728 2050.045       161.1657 101.2392 3.961360 98.04659 3.915264 3.192619 
5.569710 
1 1 1 6   32  11 o 54.03635 3.021619  617.2082       68.05477 683.4695       
104.1707 567.8702       89.88893 56.51029 4.390752 51.56240 4.152352 4.947884 
6.043239 
1 1 1 6   32  12 o 80.69739 2.779339  1391.217       93.77565 1349.790       
137.7888 1426.962       127.9903 79.51266 4.127610 81.88212 3.723136 -2.369461 
5.558679 
1 1 1 6   32  13 o 109.2968 2.876223  2553.633       131.4448 2492.365       
193.4369 2606.193       179.1646 107.9876 4.266643 110.6059 3.858290 -2.618317 
5.752446 
1 1 1 6   32  14 o 68.68752 2.966927  1006.495       85.07769 1020.753       
127.6106 995.0864       114.1479 69.06515 4.400976 68.30989 3.980205 0.7552567 
5.933854 
1 1 1 6   32  15 o 46.30046 3.725557  468.1109       71.19350 427.2025       
108.1178 499.4274       94.59708 44.35719 5.805694 48.24374 4.670440 -3.886551 
7.451113 
1 1 1 6   32  16 o 36.24453 4.902567  290.2950       72.72449 368.2663       
109.0815 227.9073       97.57385 41.03677 6.331391 31.45229 7.486931 9.584473 
9.805134 
1 1 1 6   32  17 o 62.64902 3.190288  840.4470       83.65174 860.0966       
123.8329 823.9542       113.4506 63.27619 4.661405 62.02186 4.356955 1.254326 
6.380576 
1 1 1 6   32  18 o 94.11577 2.820120  1904.139       110.7065 1730.947       
160.6651 2060.706       152.7593 89.90128 4.256735 98.33025 3.700339 -8.428970 
5.640240 
1 1 1 6   32  19 o 30.66967 5.811688  220.7875       76.62244 200.4949       
109.3604 240.3547       107.3876 29.28332 8.435237 32.05603 7.996854 -2.772713 
11.62338 
1 1 1 6   32  20 o 87.70631 2.921970  1653.022       107.2768 1563.367       
154.7923 1735.880       148.8091 85.32777 4.320958 90.08486 3.934583 -4.757088 
5.843939 
1 1 1 6   32  21 o 66.89113 3.322227  962.5518       92.50177 993.3800       
141.1805 939.3627       122.4453 67.71706 4.965897 66.06519 4.414592 1.651863 
6.644453 
1 1 1 6   32  22 f 51.04079 3.955408  580.6661       83.04906 478.3377       
121.7517 669.7078       113.5726 46.50156 6.236322 55.58002 4.867164 -9.078468 
7.910815 
1 1 1 6   32  23 o 74.12233 3.251672  1165.645       100.0182 1443.515       
153.2470 959.4497       132.0110 81.72852 4.466213 66.51614 4.727201 15.21238 
6.503344 
1 1 1 6   32  24 o 43.80770 4.874478  440.5331       86.66587 501.2628       
121.7775 378.2086       123.3661 47.47822 6.109329 40.13718 7.597252 7.341042 
9.748956 
1 1 1 6   32  25 o 25.03855 6.252922  139.8257       82.72478 110.5653       
116.9640 169.1127       117.0170 23.34503 8.784494 26.73207 8.901054 -3.387035 
12.50584 
1 1 1 6   32  26 o 32.95193 5.968510  267.4832       86.17428 174.7158       
121.1819 362.3843       122.5676 26.97556 9.058072 38.92829 7.774559 -11.95273 
11.93702 
1 1 1 6   32  27 o 20.26583 5.969967  48.29239       84.81367 25.88606       
120.6075 70.21284       119.2926 19.35784 8.296375 21.17382 8.586745 -1.815981 
11.93993 
1 1 1 6   32  28 o 33.47866 6.214470  284.3589       89.39167 234.9737       
125.8430 334.6585       127.0028 30.31805 9.136021 36.63927 8.426844 -6.321224 
12.42894 
1 1 1 6   32  29 o 19.08647 5.862537  18.39135       88.00493 -5.035156      
125.6713 40.93432       123.2787 18.31462 8.133625 19.85833 8.445206 -1.543715 
11.72507 
1 1 1 6   32  30 o 28.69681 6.505894  213.6903       90.94061 273.5871       
130.2705 156.7539       127.0103 32.13136 9.190450 25.26226 9.210986 6.869097 
13.01179 
1 1 1 6   32  31 o 20.62030 5.903637  33.55395       88.43667 172.9532       
130.4140 -85.12200      120.3304 25.88186 9.343708 15.35874 7.218508 10.52312 
11.80727 
1 1 1 6   32  32 o 32.92723 9.541688  306.7489       139.5228 306.7489       
139.5228 0.000000       0.000000 32.92723 9.541688 ?        ?        ? ? 
1 1 1 6   32  33 o 16.64485 5.364726  -47.51583      86.71093 61.29454       
125.2323 -147.7226      120.1793 19.67532 8.443911 13.61437 6.619781 6.060956 
10.72945 
1 1 1 6   32  34 o 31.72490 4.933558  190.1661       71.78416 542.4556       
133.1962 45.95741       85.21922 46.43148 6.832825 17.01833 7.118462 29.41315 
9.867117 
1 1 1 6   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   33  3  o 37.05054 5.374434  303.1734       83.59998 0.000000       
0.000000 303.1734       83.59998 ?        ?        37.05054 5.374434 ? ? 
1 1 1 6   33  4  o 47.85206 4.168969  450.6949       76.05381 660.0911       
150.8180 379.2887       88.07183 54.08585 6.641875 41.61827 5.040505 12.46758 
8.337937 
1 1 1 6   33  5  o 28.24706 4.501290  193.9163       52.95863 238.6618       
68.02760 125.0823       84.37469 33.08707 4.897202 23.40705 7.554062 9.680012 
9.002580 
1 1 1 6   33  6  o 68.51971 2.757363  1008.357       79.20090 1006.772       
109.0367 1010.127       115.2341 68.50535 3.791134 68.53407 4.004936 
-0.2872467E-01 5.514727 
1 1 1 6   33  7  f 58.27615 2.863945  729.9465       70.04098 730.0294       
97.66786 729.8587       100.4986 58.29953 3.990319 58.25277 4.109268 
0.4676437E-01  5.727890 
1 1 1 6   33  8  o 78.60202 4.784326  1338.458       157.8823 1338.458       
157.8823 0.000000       0.000000 78.60202 4.784326 ?        ?        ? ? 
1 1 1 6   33  9  o 39.91066 4.374467  374.9747       66.51611 534.5720       
93.46163 211.1675       94.68629 49.79634 4.470510 30.02498 7.520532 19.77136 
8.748935 
1 1 1 6   33  10 o 64.71732 2.905788  897.7873       78.90348 922.9609       
114.0584 874.6838       109.2684 65.57500 4.142953 63.85962 4.075579 1.715385 
5.811575 
1 1 1 6   33  11 o 26.17468 5.264868  152.6833       65.58191 238.6630       
93.88593 70.75315       91.64822 32.11216 7.150026 20.23720 7.729972 11.87497 
10.52974 
1 1 1 6   33  12 o 63.09511 2.954106  839.0820       77.55765 989.1188       
119.2683 729.1516       102.0904 67.89363 4.184244 58.29659 4.171219 9.597046 
5.908211 
1 1 1 6   33  13 o 52.58772 3.265538  585.1373       70.95929 657.4431       
112.9454 537.9861       91.20709 55.14211 4.878723 50.03333 4.342004 5.108780 
6.531075 
1 1 1 6   33  14 o 34.18603 4.927962  265.2681       68.08154 308.5456       
102.3135 230.8782       91.20484 36.74819 6.886074 31.62387 7.051330 5.124317 
9.855925 
1 1 1 6   33  15 o 49.68940 3.623150  533.7021       75.31470 558.0453       
112.2208 513.7515       101.5927 50.66829 5.275433 48.71050 4.967763 1.957787 
7.246300 
1 1 1 6   33  16 o 34.57788 4.992132  264.6562       71.09303 357.7082       
109.0587 195.8939       93.75027 40.20737 6.460641 28.94839 7.612202 11.25898 
9.984263 
1 1 1 6   33  17 o 59.28407 3.309533  761.6358       82.08405 711.4389       
118.2280 808.3503       114.0533 57.30650 4.914027 61.26165 4.434453 -3.955151 
6.619067 
1 1 1 6   33  18 o 90.51088 2.810200  1753.182       106.5525 1811.121       
156.8927 1703.580       145.1658 91.84984 4.068603 89.17192 3.877548 2.677917 
5.620401 
1 1 1 6   33  19 o 80.57747 3.079326  1398.591       104.1111 1334.296       
145.2257 1466.572       149.3307 78.65266 4.397958 82.50227 4.311261 -3.849617 
6.158653 
1 1 1 6   33  20 o 65.85513 3.268061  942.2161       89.91869 841.1158       
127.4510 1042.412       126.8794 62.21019 4.879807 69.50007 4.348376 -7.289879 
6.536122 
1 1 1 6   33  21 o 22.11310 5.738622  98.47071       70.64950 70.19083       
104.8243 122.0091       95.63390 20.75925 8.184286 23.46695 8.046401 -2.707701 
11.47724 
1 1 1 6   33  22 o 109.4725 3.065801  2591.927       140.8226 2633.775       
203.2657 2553.302       195.2806 110.2803 4.390231 108.6648 4.280469 1.615509 
6.131602 
1 1 1 6   33  23 o 39.41128 5.149232  359.6724       80.96914 393.1789       
127.4767 337.0128       104.8315 40.71317 7.737326 38.10939 6.796481 2.603786 
10.29846 
1 1 1 6   33  24 o 30.38280 5.572238  206.8555       79.52747 374.8448       
120.6967 77.96345       105.7226 39.75616 7.505344 21.00944 8.238276 18.74672 
11.14448 
1 1 1 6   33  25 o 43.85432 5.060969  450.2755       88.89806 576.4277       
128.9767 336.1035       122.6997 50.59236 6.072217 37.11628 8.098260 13.47608 
10.12194 
1 1 1 6   33  26 o 55.83637 4.149002  696.9583       96.90771 775.1925       
144.1689 632.4741       130.8880 58.68452 5.851527 52.98822 5.883579 5.696293 
8.298004 
1 1 1 6   33  27 o 17.62577 5.583484  -21.94645      86.22254 -59.98328      
123.4808 14.24601       120.4499 16.52484 7.621416 18.72670 8.161813 -2.201860 
11.16697 
1 1 1 6   33  28 o 20.50828 5.975430  47.18627       88.24281 -37.38062      
126.7650 126.6913       122.9126 17.31026 7.883446 23.70630 8.981890 -6.396036 
11.95086 
1 1 1 6   33  29 o 18.71904 5.712082  -13.49088      87.17621 111.0845       
129.5683 -116.5283      117.8366 22.92817 9.080175 14.50992 6.932673 8.418250 
11.42416 
1 1 1 6   33  30 o 45.55463 5.253454  483.9644       93.61742 981.0461       
150.3412 169.1462       119.6449 65.57355 5.460978 25.53571 8.976237 40.03784 
10.50691 
1 1 1 6   33  31 o 23.99088 6.403288  144.5469       87.85439 177.5518       
132.2896 118.5051       117.5093 25.59568 9.393814 22.38608 8.704288 3.209600 
12.80658 
1 1 1 6   33  32 o 20.10430 5.943294  67.84119       89.12321 -17.87506      
135.0741 133.9289       118.6044 17.51007 8.032958 22.69853 8.761424 -5.188459 
11.88659 
1 1 1 6   33  33 o 31.00260 6.327582  267.1832       95.17123 452.2764       
146.3556 131.5710       125.2748 39.66523 8.994051 22.33996 8.902822 17.32527 
12.65516 
1 1 1 6   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   34  3  o 35.84545 5.457700  287.2534       82.13393 0.000000       
0.000000 287.2534       82.13393 ?        ?        35.84545 5.457700 ? ? 
1 1 1 6   34  4  o 58.64663 4.239512  748.8035       104.3850 0.000000       
0.000000 748.8035       104.3850 ?        ?        58.64663 4.239512 ? ? 
1 1 1 6   34  5  o 18.81187 5.559782  38.94600       72.04782 -2.107313      
124.7384 59.49836       88.25861 18.61053 8.204494 19.01321 7.505397 
-0.4026833     11.11956 
1 1 1 6   34  6  o 43.58940 3.530070  410.3910       64.03633 351.0221       
84.71338 489.5440       97.81514 39.95029 5.050718 47.22851 4.933134 -7.278214 
7.060139 
1 1 1 6   34  7  o 27.72216 4.936775  171.8218       63.55069 65.64719       
85.65489 301.8392       94.78562 19.30816 7.447096 36.13617 6.482881 -16.82802 
9.873549 
1 1 1 6   34  8  o 42.44425 4.997983  394.4823       89.06203 394.4823       
89.06203 0.000000       0.000000 42.44425 4.997983 ?        ?        ? ? 
1 1 1 6   34  9  o 61.94325 3.207316  818.3344       82.57895 729.8743       
107.8997 943.4070       128.3004 58.02218 4.429424 65.86432 4.639796 -7.842140 
6.414632 
1 1 1 6   34  10 o 17.58862 5.205442  23.92834       65.10529 45.28220       
89.16340 -0.4593066     95.28694 18.45322 7.448199 16.72402 7.273983 1.729197 
10.41088 
1 1 1 6   34  11 o 70.07761 3.199464  1058.844       91.82674 1090.911       
147.8074 1038.688       117.1850 70.70280 4.979442 69.45242 4.018886 1.250381 
6.398929 
1 1 1 6   34  12 o 46.30713 3.792662  469.4604       73.64722 494.1900       
107.3446 447.4680       101.2299 47.44721 5.388783 45.16704 5.338367 2.280170 
7.585324 
1 1 1 6   34  13 o 47.41223 3.592713  501.9919       69.49558 428.8500       
106.4332 556.3513       91.75534 44.07349 5.752026 50.75097 4.306338 -6.677475 
7.185426 
1 1 1 6   34  14 o 28.39902 5.483486  188.4393       66.59608 215.2044       
103.0472 169.2430       87.26923 29.99782 8.023389 26.80022 7.476609 3.197594 
10.96697 
1 1 1 6   34  15 o 34.29703 4.943393  281.7332       68.19277 217.8918       
106.9987 325.4016       88.49350 30.11794 8.230274 38.47612 5.478241 -8.358183 
9.886786 
1 1 1 6   34  16 o 21.36276 5.512966  82.45313       67.27705 28.23273       
92.82737 142.4456       97.64348 17.85910 7.447124 24.86642 8.130898 -7.007324 
11.02593 
1 1 1 6   34  17 o 27.10206 5.375175  181.5782       70.09383 69.88663       
111.4849 254.5925       90.13844 21.06282 8.397074 33.14131 6.712614 -12.07849 
10.75035 
1 1 1 6   34  18 o 66.97322 3.168122  974.8295       88.82772 897.7133       
126.1131 1050.755       125.1353 64.24317 4.675784 69.70327 4.276099 -5.460098 
6.336243 
1 1 1 6   34  19 o 53.57358 3.766767  623.1499       84.14196 725.3780       
127.5418 544.3691       111.9637 57.42889 5.289848 49.71828 5.363920 7.710609 
7.533534 
1 1 1 6   34  20 o 59.94468 3.599947  785.6038       90.40949 843.6539       
133.1090 735.8880       123.1837 61.97941 5.115417 57.90995 5.066653 4.069458 
7.199893 
1 1 1 6   34  21 o 50.50596 4.089271  572.1302       85.57533 540.5892       
129.4771 596.5953       114.0325 48.99083 6.295048 52.02108 5.221198 -3.030251 
8.178541 
1 1 1 6   34  22 o 52.93659 4.068089  621.4277       90.00875 708.2272       
133.0805 548.2439       122.1979 56.39230 5.621027 49.48088 5.882301 6.911419 
8.136179 
1 1 1 6   34  23 o 48.19980 4.003881  515.4413       80.60118 593.9412       
119.3367 449.5927       109.2982 51.62951 5.505506 44.77009 5.814952 6.859425 
8.007763 
1 1 1 6   34  24 o 18.29583 5.524348  -28.59164      81.19624 108.8831       
123.6824 -132.7155      107.6395 23.09102 8.939951 13.50064 6.492376 9.590378 
11.04870 
1 1 1 6   34  25 o 44.51768 4.880491  460.9803       91.19466 450.5946       
129.0110 471.3524       128.9265 43.96079 6.990083 45.07457 6.812893 -1.113777 
9.760983 
1 1 1 6   34  26 o 65.40572 3.735371  957.9048       102.4765 1014.966       
146.7095 903.5398       143.2014 67.38139 5.186082 63.43005 5.377410 3.951336 
7.470742 
1 1 1 6   34  27 o 50.33181 4.814449  599.0096       95.04607 812.1925       
139.2464 413.0422       130.0548 59.87684 5.539187 40.78678 7.876107 19.09006 
9.628898 
1 1 1 6   34  28 o 16.34952 5.235595  -66.81240      84.38996 -205.6849      
125.1533 48.97322       114.2777 13.27669 6.525445 19.42236 8.189285 -6.145673 
10.47119 
1 1 1 6   34  29 o 20.96600 5.878359  74.21577       85.25051 -35.56923      
129.2985 158.6432       113.3872 17.16776 7.868977 24.76424 8.734964 -7.596483 
11.75672 
1 1 1 6   34  30 o 40.35468 5.418423  399.2042       91.47441 738.0114       
144.0043 170.0153       118.4393 55.69587 6.158482 25.01348 8.916857 30.68238 
10.83685 
1 1 1 6   34  31 o 20.84025 6.110594  93.96035       87.24640 97.23901       
131.5090 91.38285       116.6018 21.15821 8.846032 20.52229 8.432387 0.6359234 
12.22119 
1 1 1 6   34  32 o 14.65014 4.966900  -105.5058      87.53423 -71.70475      
131.4778 -132.4164      117.3137 15.74222 7.445534 13.55807 6.576049 2.184145 
9.933801 
1 1 1 6   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   35  3  o 22.84285 7.194118  126.4902       76.88734 0.000000       
0.000000 126.4902       76.88734 ?        ?        22.84285 7.194118 ? ? 
1 1 1 6   35  4  o 30.73551 7.281003  231.7714       92.62854 0.000000       
0.000000 231.7714       92.62854 ?        ?        30.73551 7.281003 ? ? 
1 1 1 6   35  5  o 27.74482 6.311635  193.5193       78.03616 184.4340       
156.2904 196.5365       90.06654 27.22711 10.17234 28.26254 7.474655 -1.035433 
12.62327 
1 1 1 6   35  6  o 23.08254 5.334731  124.2216       59.01184 109.6960       
77.80672 143.8926       90.54488 21.75871 7.258141 24.40638 7.820282 -2.647663 
10.66946 
1 1 1 6   35  7  o 26.63028 5.343259  166.3179       68.61002 72.66058       
95.46230 266.3870       98.67593 20.01662 7.832530 33.24393 7.270019 -13.22730 
10.68652 
1 1 1 6   35  8  o 30.82593 5.889117  155.0216       78.72323 53.08253       
90.79442 463.7536       158.0082 18.73819 7.535506 42.91367 9.052236 -24.17548 
11.77823 
1 1 1 6   35  9  o 24.38481 4.967705  103.8244       68.82567 -45.07064      
93.83581 277.1969       101.2555 14.75603 6.738458 34.01360 7.301065 -19.25757 
9.935410 
1 1 1 6   35  10 o 57.35241 3.262533  722.0945       78.24666 769.4026       
108.6968 671.2119       112.7283 59.43509 4.356069 55.26973 4.858102 4.165363 
6.525066 
1 1 1 6   35  11 o 36.83858 4.928010  321.2898       73.60986 235.5562       
104.4119 406.0069       103.7910 31.06636 7.967464 42.61080 5.801779 -11.54444 
9.856020 
1 1 1 6   35  12 f 41.42893 5.353207  430.5891       86.71357 285.6952       
132.9130 537.9637       114.4178 33.65594 9.162236 49.20192 5.539017 -15.54597 
10.70641 
1 1 1 6   35  13 o 30.76432 5.863646  218.0630       75.26065 296.5363       
127.2158 175.8103       93.34852 34.52883 8.758629 26.99981 7.798447 7.529022 
11.72729 
1 1 1 6   35  14 o 61.79144 3.192028  835.5504       82.16853 801.7382       
122.4677 863.2330       110.8123 60.48853 4.822470 63.09433 4.183296 -2.605801 
6.384057 
1 1 1 6   35  15 o 38.15364 4.834788  353.3877       72.51823 255.3350       
110.6893 427.1232       95.98739 32.30857 8.154694 43.99871 5.196312 -11.69014 
9.669576 
1 1 1 6   35  16 o 58.49644 3.419569  725.5627       82.57525 924.0529       
130.9825 594.6404       106.3777 64.93287 4.804737 52.06002 4.867064 12.87285 
6.839139 
1 1 1 6   35  17 o 51.61198 3.571895  582.6457       77.07964 659.9281       
114.1117 517.7950       104.5314 54.78038 4.961651 48.44359 5.139626 6.336796 
7.143790 
1 1 1 6   35  18 o 14.24392 4.743020  -106.6058      75.63755 -189.4967      
112.9247 -39.15795      101.8637 12.83820 6.278427 15.64964 7.111000 -2.811440 
9.486040 
1 1 1 6   35  19 o 44.24693 4.175382  434.5608       77.08693 498.6227       
116.6829 384.9446       102.6879 47.10767 5.899793 41.38619 5.909965 5.721481 
8.350763 
1 1 1 6   35  20 o 25.91291 5.773577  155.2318       72.39415 226.9390       
108.3888 97.47875       97.27251 30.22608 8.294098 21.59974 8.033971 8.626337 
11.54715 
1 1 1 6   35  21 o 30.09149 5.755454  228.2625       75.22005 188.4806       
113.6992 259.2260       100.3091 27.49246 8.758720 32.69052 7.468989 -5.198059 
11.51091 
1 1 1 6   35  22 o 83.18407 3.179777  1517.362       110.5663 1530.671       
164.3780 1506.365       149.4189 83.35236 4.697284 83.01577 4.287125 0.3365936 
6.359553 
1 1 1 6   35  23 o 82.51112 3.124155  1493.587       107.8331 1507.283       
159.6215 1482.089       146.2521 82.70967 4.596805 82.31257 4.232110 0.3971024 
6.248309 
1 1 1 6   35  24 o 57.38686 4.353097  755.0897       104.6337 769.8345       
153.7909 742.3823       142.7715 57.75707 6.342297 57.01665 5.964320 0.7404251 
8.706195 
1 1 1 6   35  25 o 35.08874 6.316272  322.3449       93.59307 289.5740       
131.1048 356.4021       133.6531 33.05538 9.144650 37.12210 8.715304 -4.066727 
12.63254 
1 1 1 6   35  26 o 51.69404 4.742927  632.3087       102.2102 553.1512       
144.1051 712.4446       144.9930 48.04373 7.144368 55.34435 6.240148 -7.300617 
9.485854 
1 1 1 6   35  27 f 25.70810 6.411858  164.0683       93.82128 61.06623       
135.1154 259.9741       130.3780 20.69124 8.821630 30.72495 9.307338 -10.03371 
12.82372 
1 1 1 6   35  28 o 22.72805 6.293205  105.7169       90.17799 199.9492       
137.2694 34.17206       119.6088 26.72107 9.592134 18.73504 8.149154 7.986023 
12.58641 
1 1 1 6   35  29 o 17.38603 5.583322  -6.140469      88.52243 -20.19934      
135.9065 4.219193       116.6643 17.53591 8.050196 17.23615 7.738751 0.2997551 
11.16664 
1 1 1 6   35  30 o 22.61906 6.266146  123.1721       89.35441 208.5320       
133.9563 54.74590       119.9355 26.25178 9.470500 18.98635 8.207799 7.265425 
12.53229 
1 1 1 6   36  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   36  3  f 44.55672 6.458943  474.9763       120.8241 0.000000       
0.000000 474.9763       120.8241 ?        ?        44.55672 6.458943 ? ? 
1 1 1 6   36  4  f 44.95253 4.986296  456.5731       94.10466 0.000000       
0.000000 456.5731       94.10466 ?        ?        44.95253 4.986296 ? ? 
1 1 1 6   36  5  o 21.25561 7.894432  102.1525       93.85461 0.000000       
0.000000 102.1525       93.85461 ?        ?        21.25561 7.894432 ? ? 
1 1 1 6   36  6  f 26.84657 6.313224  130.5696       79.32230 340.9724       
156.7641 58.16012       91.96416 34.95027 10.10959 18.74287 7.564620 16.20740 
12.62645 
1 1 1 6   36  7  o 21.98509 6.509306  31.17505       88.04633 207.5275       
183.1924 -21.79882      100.4032 28.10357 10.88025 15.86661 7.148741 12.23696 
13.01861 
1 1 1 6   36  8  o 43.00603 4.087346  422.8495       72.64700 340.0743       
101.8395 508.6131       103.6615 38.36980 6.321901 47.64227 5.182580 -9.272476 
8.174691 
1 1 1 6   36  9  o 27.46163 6.114547  208.4014       81.98763 247.5811       
92.14879 59.55987       179.6063 31.95797 7.056894 22.96530 9.987542 8.992672 
12.22909 
1 1 1 6   36  10 o 31.41076 5.146986  234.8208       70.84627 136.2786       
96.57814 349.6273       104.2439 23.84179 8.086420 38.97974 6.369904 -15.13795 
10.29397 
1 1 1 6   36  11 o 64.85746 3.264420  919.4172       88.52834 841.9308       
118.9537 1015.617       132.5416 61.84166 4.581608 67.87327 4.651302 -6.031612 
6.528839 
1 1 1 6   36  12 o 30.74425 5.759120  237.2395       77.12947 178.2215       
109.1188 296.1684       109.0364 26.72692 8.587129 34.76157 7.676656 -8.034641 
11.51824 
1 1 1 6   36  13 o 47.87804 4.629165  532.9346       91.44222 489.7966       
138.5750 566.2059       121.6998 45.68321 7.225191 50.07287 5.789067 -4.389664 
9.258330 
1 1 1 6   36  14 o 27.40357 6.252230  191.2923       86.00121 115.8303       
133.7780 244.4460       112.2761 23.65043 9.268496 31.15671 8.393837 -7.506277 
12.50446 
1 1 1 6   36  15 o 43.00864 5.126496  456.6717       84.70852 370.0469       
137.2645 509.9528       107.6525 38.25385 8.735188 47.76343 5.368459 -9.509586 
10.25299 
1 1 1 6   36  16 o 31.83174 5.622160  244.9530       73.99253 293.3623       
117.1545 212.8286       95.43604 34.25889 8.234899 29.40458 7.656447 4.854303 
11.24432 
1 1 1 6   36  17 o 18.21210 5.344160  31.12616       70.19926 -28.03221      
104.2162 80.26238       94.97905 16.07685 7.261160 20.34737 7.843197 -4.270521 
10.68832 
1 1 1 6   36  18 o 38.40485 5.196865  343.6097       81.11501 514.3914       
124.6475 218.1618       106.8304 47.38640 6.265433 29.42330 8.293008 17.96310 
10.39373 
1 1 1 6   36  19 o 34.69258 5.342253  295.0701       75.63940 295.8878       
106.2836 294.2308       107.6704 34.77941 7.492988 34.60575 7.616680 0.1736603 
10.68451 
1 1 1 6   36  20 o 22.71499 6.025972  113.6123       78.16490 95.94656       
110.0606 131.5904       111.0295 21.70681 8.427248 23.72318 8.615734 -2.016361 
12.05194 
1 1 1 6   36  21 o 19.34985 5.782357  32.83613       84.16782 -36.34261      
124.6126 90.87415       114.1384 17.15658 7.814201 21.54312 8.525308 -4.386538 
11.56471 
1 1 1 6   36  22 o 58.65871 3.908411  775.4907       95.45087 919.6631       
140.1017 650.6015       130.3961 63.95572 5.217772 53.36170 5.820443 10.59402 
7.816822 
1 1 1 6   36  23 o 26.41814 5.923845  173.3788       84.03268 49.36925       
124.2326 277.9734       114.0939 19.96885 8.484583 32.86744 8.269197 -12.89859 
11.84769 
1 1 1 6   36  24 o 21.86788 6.282917  79.43930       94.13450 4.913440       
131.0034 158.9994       135.3558 18.60735 8.281177 25.12840 9.451048 -6.521057 
12.56583 
1 1 1 6   36  25 o 75.75523 3.795753  1314.038       120.4654 1240.830       
171.9408 1384.621       168.8293 73.43332 5.577081 78.07715 5.150449 -4.643829 
7.591505 
1 1 1 6   36  26 o 22.25988 6.286625  99.37323       94.52225 10.05348       
135.7230 183.4971       131.7163 18.68059 8.368093 25.83917 9.384117 -7.158575 
12.57325 
1 1 1 6   36  27 o 30.95345 6.284494  270.8435       98.16579 113.1635       
138.0181 432.2768       139.6511 22.17397 9.152940 39.73292 8.614125 -17.55895 
12.56899 
1 1 1 6   36  28 o 34.54182 5.505391  290.1730       96.45499 635.4340       
150.9294 51.81390       125.4054 49.95209 7.196832 19.13157 8.333242 30.82052 
11.01078 
1 1 1 6   36  29 o 26.26981 6.438646  159.9510       97.78008 382.4358       
155.8185 15.42740       125.5851 34.75703 10.08727 17.78258 8.004479 16.97445 
12.87729 
1 1 1 6   37  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 6   37  4  o 33.82032 6.431871  286.0261       88.03191 0.000000       
0.000000 286.0261       88.03191 ?        ?        33.82032 6.431871 ? ? 
1 1 1 6   37  5  o 22.59143 8.043764  133.5612       96.35513 0.000000       
0.000000 133.5612       96.35513 ?        ?        22.59143 8.043764 ? ? 
1 1 1 6   37  6  o 30.92038 6.644749  197.7729       84.42291 488.6574       
181.7287 117.7206       95.33449 40.04849 10.62928 21.79227 7.976792 18.25622 
13.28950 
1 1 1 6   37  7  o 21.33679 6.324998  82.89252       91.08363 92.77048       
160.4518 78.19587       110.6382 22.44570 9.592772 20.22789 8.246280 2.217808 
12.65000 
1 1 1 6   37  8  o 23.02994 5.940311  129.7320       75.50880 155.2596       
105.6821 103.1097       107.9244 24.53800 8.454192 21.52188 8.347203 3.016117 
11.88062 
1 1 1 6   37  9  o 50.79538 3.934008  614.0214       79.23869 784.4182       
108.5484 419.6382       115.9370 59.48535 4.346447 42.10541 6.558512 17.37994 
7.868016 
1 1 1 6   37  10 o 16.30570 5.095220  -3.553446      69.60601 23.29910       
94.48767 -35.41800      102.9286 17.11770 7.340010 15.49370 7.068897 1.624001 
10.19044 
1 1 1 6   37  11 o 27.04694 5.955497  189.3531       74.68139 190.3545       
101.4052 188.1661       110.3978 27.19762 8.202196 26.89627 8.636883 0.3013458 
11.91099 
1 1 1 6   37  12 o 24.49275 5.692263  133.1935       76.36491 245.7747       
110.0978 28.81574       106.0107 30.83961 8.313633 18.14590 7.777593 12.69372 
11.38453 
1 1 1 6   37  13 o 41.50009 5.317577  431.0594       88.42005 327.3197       
129.1858 522.4876       121.2781 35.41337 8.732513 47.58681 6.070395 -12.17344 
10.63515 
1 1 1 6   37  14 o 16.59128 5.347992  -39.16299      83.84595 -89.87175      
127.8159 -0.8586444     111.0881 15.83748 7.442389 17.34509 7.682117 -1.507609 
10.69598 
1 1 1 6   37  15 o 52.52261 4.921999  639.3735       102.1805 896.3748       
157.1249 451.0362       134.5072 62.42254 5.995489 42.62268 7.807588 19.79987 
9.843999 
1 1 1 6   37  16 o 28.24548 6.442394  202.3319       87.27342 271.3557       
134.8163 152.5410       114.5032 31.71458 9.435879 24.77639 8.773937 6.938190 
12.88479 
1 1 1 6   37  17 o 39.01781 5.580970  392.0719       86.92676 318.0510       
138.5992 440.0679       111.6057 34.38369 9.354306 43.65192 6.089815 -9.268230 
11.16194 
1 1 1 6   37  18 o 18.73259 5.571509  43.17255       74.68149 7.668567       
119.1217 66.16397       95.85954 18.11626 7.998085 19.34892 7.758704 -1.232660 
11.14302 
1 1 1 6   37  19 f 70.70781 3.220893  1089.338       94.20181 1235.756       
149.4679 992.8548       121.3325 74.36977 4.787100 67.04586 4.310485 7.323906 
6.441786 
1 1 1 6   37  20 o 36.92160 5.602304  345.2430       83.13901 351.0777       
130.4885 341.2560       107.8676 36.58752 8.625515 37.25568 7.151485 
-0.6681633     11.20461 
1 1 1 6   37  21 o 27.17634 6.071737  187.8793       77.60200 250.3892       
120.6963 143.8285       101.3205 30.46900 8.889266 23.88368 8.273145 6.585320 
12.14347 
1 1 1 6   37  22 o 38.58236 5.112796  369.1366       79.56367 392.0072       
117.6594 349.8670       108.0002 39.60269 7.351982 37.56203 7.107117 2.040657 
10.22559 
1 1 1 6   37  23 o 30.10642 6.380618  247.6544       88.41151 321.0631       
131.8387 187.6634       119.1825 34.02003 9.064479 26.19281 8.982449 7.827223 
12.76124 
1 1 1 6   37  24 o 23.34652 6.153377  134.0777       86.84190 47.74581       
125.9704 212.2656       119.8817 19.32527 8.383787 27.36776 9.009346 -8.042498 
12.30675 
1 1 1 6   37  25 o 40.90703 5.729185  429.2688       102.3615 811.8698       
160.7402 168.2681       132.7615 57.36452 6.674245 24.44953 9.313897 32.91499 
11.45837 
1 1 1 6   37  26 o 29.43180 6.465432  258.3612       96.23920 370.3244       
135.4998 144.3825       136.7139 35.76048 9.020335 23.10313 9.265030 12.65735 
12.93086 
1 1 1 6   37  27 o 21.14442 6.220966  89.66559       95.16860 174.2779       
136.9116 10.56144       132.3802 24.34577 9.410016 17.94307 8.139612 6.402695 
12.44193 
1 1 1 6   38  7  o 23.67996 6.470626  158.6583       89.68614 137.5237       
163.3126 167.7845       107.3171 23.02448 9.752903 24.33543 8.506285 -1.310949 
12.94125 
1 1 1 6   38  8  f 43.11393 4.591446  457.5404       82.95133 448.3935       
113.5452 468.0102       121.4780 42.82533 6.315228 43.40254 6.666588 
-0.5772133     9.182892 
1 1 1 6   38  9  o 31.77058 5.393753  282.8582       79.21989 399.3622       
106.8679 140.7475       118.0295 40.55944 6.275908 22.98173 8.774012 17.57771 
10.78751 
1 1 1 6   38  10 o 31.32505 5.598341  257.5293       76.16967 169.4958       
101.7534 369.7354       114.8770 24.89915 8.300252 37.75095 7.514751 -12.85179 
11.19668 
1 1 1 6   38  11 o 20.03466 5.496455  72.88116       74.01902 156.2413       
100.4395 -26.20482      109.5044 24.16735 8.246490 15.90198 7.269078 8.265369 
10.99291 
1 1 1 6   38  12 o 16.87605 5.301804  -3.637525      77.63688 50.99576       
107.4844 -63.23505      112.2616 18.69562 7.915366 15.05648 7.055741 3.639141 
10.60361 
1 1 1 6   38  13 o 49.71247 4.121824  579.3347       85.11672 683.3574       
122.6647 482.7377       118.2055 54.41288 5.369565 45.01205 6.255037 9.400826 
8.243648 
1 1 1 6   38  14 o 13.79677 4.697122  -140.4787      82.95650 -254.2244      
127.9137 -57.90894      108.9834 12.55680 6.241937 15.03674 7.020687 -2.479937 
9.394243 
1 1 1 6   38  15 o 19.96378 5.944011  53.35835       90.13814 -39.74099      
138.7966 121.2621       118.5366 17.43053 8.054777 22.49703 8.743319 -5.066507 
11.88802 
1 1 1 6   38  16 o 20.71000 6.024609  26.14950       93.50537 196.9984       
141.3493 -106.7916      124.6859 26.49088 9.711339 14.92913 7.132570 11.56176 
12.04922 
1 1 1 6   38  17 o 47.16930 5.214706  542.9384       98.35527 727.0321       
150.6174 406.0726       129.8684 54.98301 6.524808 39.35559 8.136309 15.62741 
10.42941 
1 1 1 6   38  18 o 32.31566 6.023269  256.2734       84.75309 443.2096       
142.0486 152.9408       105.6110 40.57853 8.600131 24.05279 8.435450 16.52575 
12.04654 
1 1 1 6   38  19 o 54.38871 4.185535  689.9805       93.78411 751.1820       
149.6755 650.4213       120.3356 55.84829 6.383545 52.92914 5.415272 2.919144 
8.371071 
1 1 1 6   38  20 f 40.59848 4.752104  393.2455       79.32339 463.6680       
128.8760 350.2951       100.6469 43.07552 7.126278 38.12144 6.288571 4.954071 
9.504208 
1 1 1 6   38  21 o 42.16539 4.797154  438.4981       84.71968 466.7178       
125.2086 414.6686       115.0575 43.31531 6.885156 41.01546 6.681721 2.299843 
9.594309 
1 1 1 6   38  22 f 24.62230 6.430790  173.2227       87.93817 170.3865       
129.2215 175.6692       120.0149 24.44341 9.224667 24.80120 8.962465 
-0.3577881     12.86158 
1 1 1 6   38  23 o 40.50394 5.617533  438.2939       93.58928 374.0581       
129.4942 508.5375       135.4146 36.44791 8.592585 44.55997 7.238385 -8.112064 
11.23507 
1 1 1 6   38  24 f 23.63217 6.413797  157.9703       89.31813 172.9401       
130.2166 144.6693       122.7442 24.33845 9.238018 22.92589 8.899787 1.412565 
12.82759 
1 1 1 6   39  12 o 25.16320 5.584566  168.5534       79.64511 294.0794       
108.4740 21.73114       117.3153 32.72568 7.960246 17.60072 7.834793 15.12497 
11.16913 
1 1 1 6   39  13 o 32.34431 5.813122  294.2448       81.19263 217.3420       
113.9818 373.4622       115.6845 27.23863 8.778889 37.45000 7.622379 -10.21137 
11.62624 
1 1 1 6   39  14 f 18.12973 5.591240  40.99965       80.06035 42.75551       
113.1209 39.23745       113.3242 18.19042 7.918864 18.06903 7.895535 0.1213894 
11.18248 
1 1 1 6   39  15 o 25.18393 6.220559  177.4531       85.21268 259.0776       
123.2020 102.5949       117.9851 29.48674 9.070960 20.88113 8.514640 8.605612 
12.44112 
1 1 1 6   39  16 o 26.58790 6.779369  213.6550       95.50301 247.1288       
151.4279 191.5466       123.0645 27.72221 10.06243 25.45359 9.087736 2.268620 
13.55874 
1 1 1 6   39  17 o 26.48857 6.804538  207.0271       97.95810 287.6318       
151.8380 149.5587       128.2079 29.77347 10.13928 23.20366 9.077555 6.569817 
13.60908 
1 1 1 6   39  18 o 23.63130 6.470154  152.1407       99.10570 49.77413       
149.9475 231.5447       132.0631 19.81933 8.839024 27.44327 9.451097 -7.623943 
12.94031 
1 1 1 6   39  19 o 31.60001 6.528922  306.8271       93.86273 261.3501       
146.2292 338.6945       122.4086 28.55663 9.934385 34.64339 8.474390 -6.086769 
13.05784 
1 1 1 7   -32 0  o 22.52430 6.279640  108.0718       95.57053 232.5003       
138.7979 -4.106733      131.7886 27.45760 9.666397 17.59099 8.018495 9.866604 
12.55928 
1 1 1 7   -32 1  o 20.85958 6.187588  94.47720       89.56247 80.56133       
114.5078 116.4049       143.7396 19.78860 8.262699 21.93057 9.212643 -2.141972 
12.37518 
1 1 1 7   -31 0  o 45.80987 5.824261  521.6465       108.2860 451.7185       
138.8711 630.1174       172.9588 41.86097 8.193964 49.75877 8.279312 -7.897797 
11.64852 
1 1 1 7   -31 1  o 48.65452 5.505155  598.9448       108.6813 498.0983       
148.8377 714.1327       159.0692 43.34645 8.481097 53.96259 7.021248 -10.61614 
11.01031 
1 1 1 7   -31 2  o 18.94270 5.882416  38.83356       88.88471 32.35635       
116.7178 47.77593       137.1416 18.22813 7.988558 19.65727 8.636795 -1.429138 
11.76483 
1 1 1 7   -31 3  o 32.88384 6.726564  323.2538       97.64696 289.2187       
130.1443 367.0928       147.7036 31.11062 9.273948 34.65706 9.745798 -3.546438 
13.45313 
1 1 1 7   -30 0  o 19.33683 5.737987  0.3809996      87.30322 -123.8217      
121.6950 132.0835       125.3153 14.69027 7.025156 23.98338 9.074423 -9.293111 
11.47597 
1 1 1 7   -30 1  o 19.31644 5.821359  11.93131       88.72355 113.0830       
126.7215 -85.33308      124.2627 22.92397 9.011004 15.70891 7.372563 7.215058 
11.64272 
1 1 1 7   -30 2  o 68.61922 3.944928  1085.938       112.1241 1162.246       
151.0154 992.1981       167.3792 71.87862 5.004291 65.35982 6.099745 6.518799 
7.889855 
1 1 1 7   -30 3  o 50.67659 5.222912  636.3683       100.2873 644.1369       
122.8988 620.8862       173.4982 52.91070 5.532550 48.44248 8.860369 4.468216 
10.44582 
1 1 1 7   -30 4  o 27.13405 6.886082  207.8144       95.99899 193.8776       
117.2155 236.2071       167.3040 26.39264 8.908599 27.87546 10.50283 -1.482817 
13.77216 
1 1 1 7   -30 5  o 24.14165 6.186638  167.3085       88.62461 219.5540       
105.7902 44.34685       162.2952 27.99535 8.364575 20.28795 9.117667 7.707394 
12.37328 
1 1 1 7   -30 6  o 23.37062 6.263540  73.28983       88.71403 -42.09837      
106.6235 332.8732       159.9229 14.98015 6.974861 31.76110 10.40572 -16.78095 
12.52708 
1 1 1 7   -29 0  o 33.36901 6.144327  289.5355       89.72483 355.7068       
118.6495 201.1497       137.1267 38.42068 7.626703 28.31735 9.635582 10.10333 
12.28865 
1 1 1 7   -29 1  o 54.11346 5.614645  740.9653       110.7679 815.0151       
135.8486 594.0757       191.3324 60.42410 5.355079 47.80281 9.870160 12.62129 
11.22929 
1 1 1 7   -29 2  o 27.03494 6.436540  160.0245       84.57076 100.5792       
103.5991 278.7672       146.4202 21.80580 8.250697 32.26409 9.881407 -10.45829 
12.87308 
1 1 1 7   -29 3  o 45.85965 5.717945  547.7820       95.13924 594.6159       
114.3744 442.5929       171.4092 51.43076 5.296964 40.28854 10.13517 11.14222 
11.43589 
1 1 1 7   -29 4  o 59.14494 4.710736  763.1495       108.6470 669.2816       
128.6654 996.3906       202.8175 54.15919 5.658621 64.13068 7.532872 -9.971493 
9.421473 
1 1 1 7   -29 5  o 19.87986 6.130200  11.72963       91.07590 -41.71802      
110.5120 124.8817       160.7964 15.79407 7.254204 23.96566 9.884025 -8.171590 
12.26040 
1 1 1 7   -29 6  o 23.17013 6.256188  131.1502       93.32127 195.5872       
113.1264 -6.098553      165.1014 26.75180 8.751830 19.58846 8.942318 7.163336 
12.51238 
1 1 1 7   -29 7  o 35.97945 6.650101  353.9812       97.56913 291.8373       
119.4953 478.2816       169.0004 32.20043 8.652496 39.75848 10.10097 -7.558048 
13.30020 
1 1 1 7   -29 8  o 28.35105 6.846551  252.4758       97.40457 258.5060       
121.7798 241.7672       162.2840 29.51608 9.006016 27.18602 10.31469 2.330067 
13.69310 
1 1 1 7   -28 0  o 34.04564 5.721365  267.1248       78.71490 224.0801       
98.82858 341.8105       130.1791 30.58516 7.696842 37.50613 8.467273 -6.920967 
11.44273 
1 1 1 7   -28 1  o 48.54139 4.708691  512.2631       89.97445 472.2974       
108.1295 602.2200       162.2250 46.13587 5.582474 50.94691 7.584396 -4.811039 
9.417381 
1 1 1 7   -28 2  o 27.03661 6.452020  177.4346       84.94165 184.3051       
104.4708 164.0336       145.9050 27.45579 8.334334 26.61742 9.851555 0.8383675 
12.90404 
1 1 1 7   -28 3  o 58.19695 4.617240  774.2692       106.1261 774.4671       
130.3548 773.8801       182.7621 59.04930 5.258155 57.34461 7.591273 1.704685 
9.234480 
1 1 1 7   -28 4  o 30.92926 6.942620  238.3078       97.16994 201.3295       
119.6155 310.0626       166.6246 28.16580 8.984769 33.69272 10.58649 -5.526918 
13.88524 
1 1 1 7   -28 5  o 48.87292 5.466424  567.0134       102.4580 544.3444       
124.7198 614.0675       179.6875 48.75929 6.092551 48.98656 9.077884 
-0.2272720     10.93285 
1 1 1 7   -28 6  o 30.97375 6.863521  246.9475       94.57207 213.6789       
115.2294 315.6032       165.5330 28.60946 8.766759 33.33804 10.56293 -4.728580 
13.72704 
1 1 1 7   -28 7  o 24.11579 6.467236  138.3737       88.49608 119.7343       
113.6042 167.1409       141.1327 22.69534 8.624464 25.53624 9.639459 -2.840897 
12.93447 
1 1 1 7   -28 8  o 24.70932 6.237548  144.9821       86.88992 58.12312       
116.7551 252.8059       130.0846 19.54677 8.261387 29.87188 9.347593 -10.32511 
12.47510 
1 1 1 7   -28 9  o 20.91162 6.153233  89.99142       89.29912 64.28184       
120.3372 121.4999       133.2191 19.54186 8.328218 22.28137 9.060347 -2.739502 
12.30647 
1 1 1 7   -28 10 o 19.11038 5.965270  41.64814       96.23135 -29.19481      
150.9506 90.15163       124.9030 17.73223 8.272771 20.48853 8.596454 -2.756304 
11.93054 
1 1 1 7   -27 0  o 88.79874 3.299968  1724.036       121.1195 1841.914       
161.5933 1572.908       182.9690 92.56962 4.157918 85.02787 5.125512 7.541748 
6.599936 
1 1 1 7   -27 1  o 61.97000 3.717619  809.7211       91.08013 755.1327       
109.9846 928.8580       162.4819 59.11899 4.431248 64.82101 5.970495 -5.702026 
7.435238 
1 1 1 7   -27 2  o 45.27107 5.421617  518.5836       91.09805 614.8324       
114.2687 350.7245       150.9044 53.01021 5.134391 37.53194 9.550589 15.47827 
10.84323 
1 1 1 7   -27 3  o 95.12637 4.186586  1989.842       146.2389 1963.312       
169.7743 2066.127       287.8861 95.23465 4.246177 95.01810 7.216648 0.2165527 
8.373173 
1 1 1 7   -27 4  o 24.60529 6.637215  126.6739       94.31740 127.3215       
122.9228 125.7468       147.0720 24.28521 9.031623 24.92537 9.728324 
-0.6401672     13.27443 
1 1 1 7   -27 5  o 27.53895 6.240968  193.4743       87.42203 250.0848       
108.6933 89.76125       147.1197 31.86556 8.103624 23.21233 9.493682 8.653229 
12.48194 
1 1 1 7   -27 6  o 41.18158 5.375529  372.2138       89.69521 168.1823       
112.9554 720.4500       147.5691 26.15594 8.745214 56.20722 6.253519 -30.05128 
10.75106 
1 1 1 7   -27 7  o 95.35451 3.684901  2026.042       145.1411 1991.315       
188.6685 2076.390       227.1741 94.86588 4.737076 95.84313 5.645714 
-0.9772568     7.369802 
1 1 1 7   -27 8  o 23.15939 6.212615  120.7832       84.76074 151.5275       
114.6079 83.66428       125.9301 24.75794 8.776884 21.56085 8.795033 3.197094 
12.42523 
1 1 1 7   -27 9  o 21.72089 6.203400  91.36214       88.82500 128.9055       
125.0612 53.14329       126.1813 23.38911 9.003223 20.05266 8.536431 3.336445 
12.40680 
1 1 1 7   -27 10 o 43.68573 5.977192  480.6255       106.0585 674.1948       
169.1623 355.2565       136.1384 51.55215 7.815880 35.81931 9.045403 15.73284 
11.95438 
1 1 1 7   -27 11 o 22.78543 6.403952  129.6127       97.93577 36.97463       
150.7290 197.2956       128.8374 19.66321 8.813157 25.90765 9.293583 -6.244446 
12.80790 
1 1 1 7   -26 0  o 46.72551 4.604715  481.7968       84.91581 486.6611       
104.2567 472.2100       146.3611 47.44399 5.234119 46.00703 7.577440 1.436958 
9.209430 
1 1 1 7   -26 1  o 53.12119 4.082315  605.6891       90.16288 545.6805       
117.9071 690.1951       139.9191 50.06075 5.610008 56.18164 5.932033 -6.120892 
8.164631 
1 1 1 7   -26 2  o 109.4582 3.850658  2580.733       170.2337 2502.393       
212.1985 2722.195       285.1465 107.6702 4.694266 111.2462 6.105254 -3.576012 
7.701315 
1 1 1 7   -26 3  o 43.36274 4.812291  415.0762       86.50025 388.8471       
112.3853 453.1973       135.4879 41.85761 6.395232 44.86787 7.192605 -3.010262 
9.624581 
1 1 1 7   -26 4  o 60.32843 3.894814  803.0581       98.07990 846.2918       
134.3556 753.7334       143.5082 62.24719 5.141111 58.40968 5.852118 3.837513 
7.789628 
1 1 1 7   -26 5  o 42.37720 5.225035  427.1505       87.56970 593.1866       
124.9614 266.9320       122.7527 51.74683 5.751925 33.00758 8.724639 18.73925 
10.45007 
1 1 1 7   -26 6  o 19.10423 5.684524  32.94017       77.76694 47.97020       
106.8918 16.03905       113.3502 19.59714 8.066553 18.61131 8.011615 0.9858322 
11.36905 
1 1 1 7   -26 7  o 29.93227 6.053118  217.0620       83.32806 138.5903       
113.6588 308.2578       122.5276 24.55535 8.736901 35.30919 8.380186 -10.75385 
12.10624 
1 1 1 7   -26 8  o 31.30349 6.192821  253.3411       86.10016 292.7915       
114.3342 201.6620       130.8602 34.40615 8.050001 28.20084 9.412842 6.205307 
12.38564 
1 1 1 7   -26 9  f 26.39137 6.564335  174.0894       90.54932 190.0757       
128.4125 158.2793       127.7026 27.28054 9.324393 25.50220 9.242167 1.778341 
13.12867 
1 1 1 7   -26 10 o 19.23136 6.029557  -11.26248      98.07394 79.37163       
148.7383 -80.97800      130.4493 22.22314 9.355180 16.23958 7.609391 5.983564 
12.05911 
1 1 1 7   -26 11 o 34.11755 6.669147  327.5471       107.1922 462.9277       
149.8078 185.5166       153.4430 41.86750 8.801355 26.36760 10.02229 15.49990 
13.33829 
1 1 1 7   -26 12 o 19.74872 6.041097  49.91849       94.14290 90.74067       
122.2653 -9.530695      147.5462 20.96240 8.627603 18.53503 8.458361 2.427370 
12.08219 
1 1 1 7   -26 13 o 16.33477 5.436998  -50.87012      92.49516 -32.32201      
113.8137 -86.94976      158.7361 15.76226 7.287703 16.90727 8.070514 -1.145009 
10.87400 
1 1 1 7   -25 0  o 119.0407 3.753194  3068.540       178.0514 3123.385       
220.9516 2966.965       300.6939 121.0221 4.348642 117.0593 6.118429 3.962807 
7.506388 
1 1 1 7   -25 1  o 83.21091 3.345344  1495.355       114.7737 1555.314       
150.7281 1412.615       177.0626 85.38802 4.204539 81.03380 5.204533 4.354225 
6.690688 
1 1 1 7   -25 2  o 24.23473 5.216958  108.6207       76.01184 242.4109       
97.69707 -96.59047      120.9957 32.52683 7.329738 15.94262 7.425735 16.58421 
10.43392 
1 1 1 7   -25 3  o 28.47924 6.294100  186.5139       84.26100 214.5693       
117.7638 157.0843       120.6134 30.27902 8.763507 26.67947 9.036799 3.599550 
12.58820 
1 1 1 7   -25 4  o 66.45398 3.887511  960.4855       106.4155 957.7015       
137.8623 964.5895       167.3864 66.56491 4.933116 66.34305 6.009602 0.2218628 
7.775021 
1 1 1 7   -25 5  f 20.28744 5.588206  29.57786       81.32417 142.0612       
105.8451 -132.5123      127.0588 25.18845 8.465492 15.38643 7.297096 9.802025 
11.17641 
1 1 1 7   -25 6  o 71.20328 3.879556  1138.128       109.4564 1202.576       
136.7827 1023.378       182.5171 74.63477 4.365271 67.77178 6.414690 6.862984 
7.759113 
1 1 1 7   -25 7  o 46.51545 4.764834  478.0626       92.06023 404.6115       
120.8524 579.6097       142.0985 42.31621 6.802514 50.71469 6.673858 -8.398479 
9.529668 
1 1 1 7   -25 8  o 55.64256 4.142719  691.2126       96.66056 675.1843       
138.9772 706.2313       134.5286 54.92142 6.027303 56.36369 5.685077 -1.442272 
8.285438 
1 1 1 7   -25 9  o 53.18994 4.817725  627.9891       105.2795 549.0663       
133.1718 759.5132       171.9151 49.11496 6.458321 57.26492 7.150663 -8.149960 
9.635449 
1 1 1 7   -25 10 o 52.13366 5.012748  629.3273       108.6103 598.2535       
142.5679 672.3026       167.6614 50.91518 6.669534 53.35215 7.485179 -2.436974 
10.02550 
1 1 1 7   -25 11 o 33.17437 7.035438  299.1023       105.8215 310.9530       
148.5548 286.8943       150.7782 33.90609 9.852266 32.44265 10.04601 1.463440 
14.07088 
1 1 1 7   -25 12 o 38.77085 6.147000  396.6289       98.13515 432.6638       
126.5711 342.3178       155.3880 42.54399 7.086267 34.99770 10.04626 7.546288 
12.29400 
1 1 1 7   -25 13 o 40.40857 6.125989  415.6381       94.26868 385.1303       
112.5912 487.1675       172.4014 39.44875 7.052711 41.36839 10.01849 -1.919632 
12.25198 
1 1 1 7   -25 14 o 27.12047 6.661549  200.2785       90.09930 148.1378       
111.8502 296.6391       152.0542 23.44457 8.634442 30.79638 10.14649 -7.351810 
13.32310 
1 1 1 7   -25 15 o 18.82686 5.982208  25.77828       97.26077 -0.6356242     
126.5799 63.85139       151.9699 17.34263 7.892695 20.31109 8.991808 -2.968462 
11.96442 
1 1 1 7   -24 0  o 66.83353 3.508930  972.0001       93.76678 1022.340       
117.8939 885.3305       154.6919 69.41477 4.045391 64.25228 5.734560 5.162491 
7.017861 
1 1 1 7   -24 1  o 29.20851 5.997540  180.6203       78.37596 125.8299       
101.0548 263.3293       124.1598 24.53003 8.271710 33.88699 8.686815 -9.356962 
11.99508 
1 1 1 7   -24 2  o 63.97203 3.686203  909.1272       94.98441 1039.811       
124.4911 727.0646       146.9391 69.89826 4.242217 58.04580 6.029590 11.85246 
7.372405 
1 1 1 7   -24 3  o 24.02236 6.015557  101.5204       79.40391 35.62744       
107.4136 180.9161       117.9067 19.68085 8.091115 28.36388 8.904018 -8.683031 
12.03111 
1 1 1 7   -24 4  f 66.53372 3.600243  956.2845       97.73556 971.0379       
124.9998 933.0779       156.7727 67.39380 4.417846 65.67365 5.685915 1.720146 
7.200485 
1 1 1 7   -24 5  o 49.39375 4.227499  532.0110       87.58078 546.9420       
122.4443 516.3701       125.3216 50.15260 5.815223 48.63491 6.137605 1.517681 
8.454999 
1 1 1 7   -24 6  o 52.86856 4.346984  607.2582       96.01936 548.8322       
128.5435 681.0114       144.4233 50.02943 6.119916 55.70770 6.175088 -5.678268 
8.693968 
1 1 1 7   -24 7  o 28.49347 5.967103  198.1738       81.30999 257.8866       
103.1184 100.0208       132.2069 33.22509 7.560365 23.76186 9.233968 9.463232 
11.93421 
1 1 1 7   -24 8  o 54.14488 4.168131  657.9788       91.43210 695.6890       
117.3799 599.7951       145.8023 56.54642 4.944355 51.74334 6.711678 4.803078 
8.336262 
1 1 1 7   -24 9  o 74.81265 4.497234  1265.767       131.4338 1289.826       
160.4954 1216.778       229.0187 76.81828 4.976444 72.80704 7.492360 4.011238 
8.994468 
1 1 1 7   -24 10 o 30.63770 6.635869  237.2966       92.52309 249.8151       
115.9811 215.3863       153.4386 31.82772 8.511674 29.44767 10.18285 2.380054 
13.27174 
1 1 1 7   -24 11 o 32.63863 6.750315  261.4755       97.42242 201.6772       
124.3609 356.4715       156.7444 28.36797 9.172584 36.90929 9.906096 -8.541325 
13.50063 
1 1 1 7   -24 12 f 25.42045 6.542809  153.3292       88.43692 152.4906       
110.2369 154.8437       148.1366 25.06934 8.634727 25.77155 9.832341 
-0.7022133     13.08562 
1 1 1 7   -24 13 o 56.07478 4.383977  717.7474       97.87650 700.8849       
120.4855 750.4683       167.8356 55.91304 5.132663 56.23652 7.108642 
-0.3234863     8.767954 
1 1 1 7   -24 14 o 18.97078 5.959102  -32.42363      89.68188 -103.2121      
108.1257 123.6315       160.5413 13.96706 6.665554 23.97449 9.879978 -10.00743 
11.91820 
1 1 1 7   -24 15 o 29.94849 6.920799  258.5374       96.37540 245.5077       
116.7307 286.4366       170.8104 29.72309 8.764624 30.17389 10.71313 
-0.4507980     13.84160 
1 1 1 7   -24 16 o 20.35607 6.131350  62.67894       101.6024 155.2438       
128.4663 -91.92770      166.0275 23.55375 9.112836 17.15839 8.205487 6.395359 
12.26270 
1 1 1 7   -23 0  o 53.84810 4.058087  602.1061       87.90331 562.4575       
108.1630 679.2322       150.8571 51.42055 5.010294 56.27566 6.385079 -4.855110 
8.116174 
1 1 1 7   -23 1  f 92.69620 3.192810  1839.303       122.5521 1928.018       
162.9304 1723.716       185.9771 95.39068 4.068339 90.00172 4.921864 5.388962 
6.385619 
1 1 1 7   -23 2  o 63.29005 3.989739  883.8871       100.4422 954.7528       
126.7437 764.2388       164.6878 67.02641 4.504030 59.55370 6.586788 7.472713 
7.979478 
1 1 1 7   -23 3  o 103.1528 3.480748  2270.005       149.5010 2273.342       
199.2322 2265.704       226.1739 103.3455 4.591862 102.9601 5.232326 0.3854599 
6.961496 
1 1 1 7   -23 4  o 30.77800 5.912872  218.2988       78.47820 238.6213       
103.4230 190.7148       120.4920 32.40006 7.705229 29.15594 8.970934 3.244116 
11.82574 
1 1 1 7   -23 5  o 121.0376 4.426795  3104.458       211.7451 2974.163       
256.8078 3381.137       374.2257 117.7414 5.195172 124.3338 7.169116 -6.592354 
8.853589 
1 1 1 7   -23 6  o 46.89262 4.324403  481.4262       84.36517 526.9106       
115.9646 430.2858       122.9635 49.39329 5.592148 44.39196 6.597706 5.001335 
8.648806 
1 1 1 7   -23 7  f 41.79140 5.098095  378.2495       85.85670 287.2054       
111.2339 512.4301       135.0381 35.28470 7.720894 48.29811 6.659587 -13.01342 
10.19619 
1 1 1 7   -23 8  o 61.41419 3.640525  817.1366       93.81297 844.2382       
132.2718 789.7047       133.0750 62.47757 5.042712 60.35081 5.252118 2.126762 
7.281049 
1 1 1 7   -23 9  o 66.44318 3.595321  940.2585       96.59826 891.9471       
120.0568 1028.958       162.6752 64.33393 4.444957 68.55242 5.652229 -4.218491 
7.190642 
1 1 1 7   -23 10 o 23.49129 6.082426  72.68131       82.26897 -10.56373      
103.1931 217.8681       136.2810 17.00066 7.480614 29.98193 9.592916 -12.98127 
12.16485 
1 1 1 7   -23 11 o 85.77885 4.577241  1672.343       152.9029 1705.539       
186.3237 1603.886       267.5659 88.23877 5.029556 83.31895 7.649059 4.919823 
9.154482 
1 1 1 7   -23 12 o 25.60643 6.364752  155.3370       86.99200 190.5996       
108.6342 92.30727       145.2385 27.87594 8.506154 23.33692 9.470250 4.539015 
12.72950 
1 1 1 7   -23 13 o 24.11321 6.351315  90.94988       85.59931 20.32996       
104.0162 239.1256       150.6697 17.97113 7.703430 30.25529 10.10020 -12.28416 
12.70263 
1 1 1 7   -23 14 o 23.60479 6.394197  109.7640       84.13123 75.93345       
102.2725 180.5749       147.9635 20.35111 8.064817 26.85847 9.924803 -6.507355 
12.78839 
1 1 1 7   -23 15 o 18.75111 5.828976  17.87969       87.21077 39.16204       
108.3030 -21.37220      147.0824 18.70667 7.934020 18.79555 8.541615 
-0.8887863E-01 11.65795 
1 1 1 7   -23 16 o 23.37395 6.614186  108.2370       97.29239 46.51558       
122.8390 212.1279       159.3703 19.42651 8.350858 27.32139 10.25929 -7.894878 
13.22837 
1 1 1 7   -23 17 o 18.21846 5.884937  -2.093084      100.2080 30.75471       
124.2813 -63.12817      169.4113 18.42998 8.148777 18.00695 8.492785 0.4230309 
11.76987 
1 1 1 7   -22 0  o 26.90259 6.076377  130.1765       78.38176 68.02285       
97.98203 240.6415       130.6248 21.00899 8.001972 32.79618 9.146469 -11.78719 
12.15275 
1 1 1 7   -22 1  o 49.21693 4.067194  514.6197       83.91719 488.6965       
114.9739 544.1740       122.7623 47.89853 5.717394 50.53534 5.786164 -2.636814 
8.134389 
1 1 1 7   -22 2  f 66.07498 3.718306  935.0084       100.8545 959.8407       
130.6971 898.4554       158.5691 67.26654 4.627943 64.88343 5.821112 2.383110 
7.436612 
1 1 1 7   -22 3  o 122.2833 3.504320  3181.556       179.8384 3252.825       
252.9550 3108.716       255.7275 123.6956 4.870910 120.8710 5.039371 2.824593 
7.008639 
1 1 1 7   -22 4  o 132.7503 3.787534  3751.543       209.1883 3690.528       
276.8672 3832.710       319.3297 131.6325 5.009905 133.8680 5.681768 -2.235504 
7.575067 
1 1 1 7   -22 5  o 73.88719 3.322061  1147.420       100.3368 1100.127       
126.9373 1226.174       163.8058 71.98737 4.200045 75.78701 5.148202 -3.799637 
6.644123 
1 1 1 7   -22 6  o 34.33525 5.551464  287.0026       82.25677 384.6670       
106.1187 139.9920       130.1962 42.27077 5.979612 26.39973 9.355171 15.87104 
11.10293 
1 1 1 7   -22 7  o 28.37833 5.973427  178.8923       84.44102 274.0717       
113.6726 61.70445       126.1322 34.61525 7.979834 22.14142 8.890982 12.47383 
11.94685 
1 1 1 7   -22 8  o 29.77140 5.676702  197.7479       80.22468 321.0230       
113.7953 75.93743       113.1173 37.56834 7.480124 21.97445 8.540933 15.59390 
11.35340 
1 1 1 7   -22 9  o 19.92645 5.644085  49.30653       72.99709 80.06863       
97.24047 9.589318       110.4913 21.24112 8.006276 18.61179 7.957533 2.629333 
11.28817 
1 1 1 7   -22 10 o 88.36041 3.863645  1716.895       137.5579 1769.040       
173.6732 1629.112       225.3362 90.65166 4.563291 86.06918 6.235974 4.582481 
7.727289 
1 1 1 7   -22 11 o 54.35683 4.715787  654.3305       104.8466 638.6223       
133.4852 679.6295       169.4026 53.85639 5.903601 54.85727 7.355412 -1.000881 
9.431575 
1 1 1 7   -22 12 o 29.95948 6.469096  218.2107       86.24535 222.9237       
105.1654 208.5307       150.7176 30.47214 8.085122 29.44682 10.10087 1.025314 
12.93819 
1 1 1 7   -22 13 o 39.09921 5.630319  302.3161       87.30276 182.2565       
103.5470 597.4788       162.3566 27.45272 8.290219 50.74569 7.620646 -23.29297 
11.26064 
1 1 1 7   -22 14 o 25.89548 6.203354  166.3518       84.85867 212.9228       
102.1443 62.60492       152.4556 29.41928 8.042322 22.37169 9.447087 7.047583 
12.40671 
1 1 1 7   -22 15 o 46.41804 5.883337  602.0516       98.75437 728.9559       
120.9589 348.3687       171.0193 57.27702 5.030121 35.55906 10.63732 21.71797 
11.76667 
1 1 1 7   -22 16 o 50.95185 7.339545  710.1302       150.1017 675.8413       
240.4642 732.0201       192.1299 47.67886 12.01042 54.22485 8.439519 -6.545990 
14.67909 
1 1 1 7   -22 17 o 28.56306 7.949413  220.8087       133.4734 312.7140       
230.1630 174.2412       163.8349 31.19155 12.17083 25.93457 10.22955 5.256985 
15.89883 
1 1 1 7   -22 18 o 26.21809 7.433381  204.1555       134.7953 58.79627       
228.5678 281.6688       166.9098 22.73721 10.43874 29.69897 10.58552 -6.961761 
14.86676 
1 1 1 7   -22 19 o 20.50571 6.477336  68.00401       97.95602 23.83651       
237.9770 77.01389       107.4839 21.59553 10.15025 19.41589 8.049601 2.179638 
12.95467 
1 1 1 7   -21 0  o 107.4410 3.226399  2444.003       145.1007 2514.688       
199.4672 2364.558       211.4648 109.1256 4.353775 105.7564 4.762694 3.369232 
6.452798 
1 1 1 7   -21 1  o 60.94910 3.602750  758.9972       90.07532 664.5120       
113.5513 919.3646       147.9342 56.04082 4.826239 65.85738 5.350386 -9.816555 
7.205499 
1 1 1 7   -21 2  o 26.58779 6.019169  149.0979       79.29966 200.0460       
105.1386 81.87072       120.7732 29.99575 8.141364 23.17983 8.867908 6.815920 
12.03834 
1 1 1 7   -21 3  o 81.57831 3.591125  1417.347       121.9396 1456.644       
163.5028 1368.097       183.0441 82.92017 4.696628 80.23643 5.433821 2.683739 
7.182250 
1 1 1 7   -21 4  o 149.0401 4.505167  4746.861       281.7137 4635.220       
389.9151 4868.782       407.4713 147.2360 6.307790 150.8443 6.434122 -3.608292 
9.010335 
1 1 1 7   -21 5  o 108.3850 3.804602  2513.293       172.3713 2669.068       
238.2378 2342.161       249.7060 112.0151 5.065882 104.7548 5.677748 7.260307 
7.609204 
1 1 1 7   -21 6  o 95.65289 3.661040  1955.072       145.0352 1982.036       
190.9291 1918.285       223.0083 96.55924 4.709767 94.74654 5.606330 1.812706 
7.322079 
1 1 1 7   -21 7  o 118.8673 4.271797  3035.619       207.7039 3038.347       
265.6977 3031.331       333.0633 119.2439 5.307288 118.4907 6.695199 0.7531815 
8.543593 
1 1 1 7   -21 8  f 84.70461 3.688363  1519.907       129.6251 1438.877       
168.9901 1635.731       202.0409 82.08463 4.903661 87.32459 5.510916 -5.239960 
7.376726 
1 1 1 7   -21 9  o 65.70737 3.582647  927.7682       98.43880 955.5284       
134.6650 895.9130       144.2563 66.83556 4.799194 64.57917 5.320636 2.256386 
7.165294 
1 1 1 7   -21 10 o 99.36238 3.619317  2108.820       150.3540 2303.343       
225.5504 1953.250       201.7072 103.4189 5.194750 95.30585 5.041072 8.113075 
7.238635 
1 1 1 7   -21 11 o 41.54703 5.096534  391.6003       85.97610 359.9178       
127.2105 418.2414       116.6516 39.43766 7.961899 43.65639 6.364496 -4.218731 
10.19307 
1 1 1 7   -21 12 o 40.88621 5.335159  394.6328       86.90662 450.0258       
114.3393 318.8508       133.7368 45.25389 6.018117 36.51853 8.811241 8.735363 
10.67032 
1 1 1 7   -21 13 o 46.95532 4.992697  475.7929       93.06786 434.1941       
112.5701 565.6375       165.4355 44.28415 6.054745 49.62650 7.940288 -5.342342 
9.985394 
1 1 1 7   -21 14 o 60.56197 5.007985  828.4228       126.6146 767.3397       
168.4817 907.6824       191.9192 58.14014 6.902362 62.98379 7.257894 -4.843647 
10.01597 
1 1 1 7   -21 15 o 57.49398 5.526553  776.1905       133.2548 781.2178       
193.0697 771.6171       184.1481 57.53123 7.993400 57.45673 7.633918 
0.7449722E-01  11.05311 
1 1 1 7   -21 16 o 27.21367 7.315794  98.90981       125.0577 361.8959       
205.2964 -56.25401      157.6922 35.56210 11.78983 18.86525 8.665060 16.69685 
14.63159 
1 1 1 7   -21 17 o 55.99805 7.452634  888.9255       155.4329 713.5551       
271.6951 974.2445       189.5075 47.73212 13.14654 64.26399 7.023924 -16.53187 
14.90527 
1 1 1 7   -21 18 o 24.87960 7.431769  130.1594       130.4301 94.10050       
228.9455 147.4861       158.7025 24.81526 11.00473 24.94395 9.991033 
-0.1286945     14.86354 
1 1 1 7   -21 19 o 27.26466 7.768960  224.5462       135.1989 202.6526       
233.7641 235.5503       165.7287 26.63437 11.48574 27.89495 10.46445 -1.260580 
15.53792 
1 1 1 7   -21 20 o 60.19850 7.333052  1121.718       130.2434 984.0279       
299.0935 1153.937       144.6814 49.71865 13.83188 70.67834 4.875818 -20.95969 
14.66610 
1 1 1 7   -20 0  o 104.4497 3.649233  2364.875       143.6217 2444.498       
170.8121 2172.771       265.3183 107.7015 3.777616 101.1979 6.244775 6.503616 
7.298465 
1 1 1 7   -20 1  o 136.3654 4.557797  3887.165       232.0015 3815.191       
270.7204 4086.188       450.1804 134.3781 4.798591 138.3527 7.750329 -3.974609 
9.115595 
1 1 1 7   -20 2  o 112.7749 3.729007  2720.204       169.3298 2797.715       
213.1145 2587.484       278.8697 115.1153 4.409619 110.4345 6.014750 4.680740 
7.458013 
1 1 1 7   -20 3  o 21.13660 5.851487  53.80752       78.07491 97.44697       
100.9895 -11.02306      123.0911 23.01892 8.231027 19.25429 8.319242 3.764624 
11.70297 
1 1 1 7   -20 4  o 52.70816 4.232589  610.1957       90.03096 772.4411       
124.5341 432.5562       130.3081 60.40198 4.910866 45.01434 6.895116 15.38763 
8.465178 
1 1 1 7   -20 5  o 66.17095 3.615776  952.0021       97.86731 1088.166       
131.2795 781.6610       146.8335 71.72473 4.359624 60.61718 5.769665 11.10756 
7.231553 
1 1 1 7   -20 6  o 75.64588 3.351779  1207.466       105.8986 1157.145       
141.5727 1271.388       159.5626 73.89381 4.563443 77.39796 4.910467 -3.504150 
6.703558 
1 1 1 7   -20 7  o 183.3422 6.006071  7306.226       456.6129 7231.694       
599.6567 7409.075       704.4156 182.7376 7.816203 183.9468 9.121323 -1.209183 
12.01214 
1 1 1 7   -20 8  o 125.2095 4.190817  3373.216       209.5359 3409.627       
260.0431 3305.812       353.8122 126.5739 4.893531 123.8452 6.804788 2.728653 
8.381634 
1 1 1 7   -20 9  o 64.99706 3.730427  890.3744       98.30714 856.3105       
122.8887 950.9191       163.8339 63.43051 4.614608 66.56361 5.862570 -3.133102 
7.460854 
1 1 1 7   -20 10 o 41.11977 5.203314  366.6639       87.20811 319.4399       
113.8202 433.7977       135.7089 37.64558 7.466987 44.59395 7.248588 -6.948364 
10.40663 
1 1 1 7   -20 11 o 52.80746 4.277084  591.5704       92.49170 550.5580       
116.8506 660.3732       151.3479 50.54786 5.506165 55.06707 6.546445 -4.519215 
8.554169 
1 1 1 7   -20 12 o 83.52798 4.898190  1479.998       167.0170 1784.497       
278.4183 1308.826       208.7473 89.71835 7.391586 77.33762 6.429115 12.38072 
9.796380 
1 1 1 7   -20 13 o 89.30837 4.627242  1757.297       166.5149 1771.711       
277.0118 1749.142       208.3609 88.97247 7.415898 89.64428 5.536238 
-0.6718140     9.254484 
1 1 1 7   -20 14 o 53.92433 5.157432  656.2643       116.6148 664.6539       
161.7261 647.1781       168.3072 54.39035 7.082381 53.45831 7.499087 0.9320412 
10.31486 
1 1 1 7   -20 15 o 60.25972 5.310316  817.5247       132.6512 1019.895       
201.1422 661.7643       176.4651 66.98225 7.152611 53.53720 7.850985 13.44505 
10.62063 
1 1 1 7   -20 16 o 62.85258 5.780322  926.0132       151.9369 1042.897       
224.6514 827.4775       206.2665 66.60204 8.034201 59.10313 8.312647 7.498909 
11.56064 
1 1 1 7   -20 17 o 27.77325 7.685672  180.5072       132.2725 90.35835       
228.7654 225.7814       162.1197 25.94833 11.27812 29.59818 10.44425 -3.649841 
15.37134 
1 1 1 7   -20 18 o 30.61965 7.916915  256.7280       129.1856 249.0774       
227.2759 260.3796       157.0176 30.29123 12.01658 30.94808 10.31077 
-0.6568565     15.83383 
1 1 1 7   -20 19 o 29.18028 7.664895  239.2431       122.0533 205.0016       
230.1063 252.6483       143.9759 28.12835 11.72692 30.23221 9.873287 -2.103859 
15.32979 
1 1 1 7   -20 20 o 38.18626 7.045769  422.2279       96.05462 421.0714       
250.6847 422.4270       103.9914 33.87645 12.82957 42.49608 5.828673 -8.619633 
14.09154 
1 1 1 7   -20 21 o 21.90146 6.264461  118.3149       83.20307 95.39688       
173.4431 125.1654       94.82641 21.94856 9.675508 21.85436 7.959802 
0.9420013E-01  12.52892 
1 1 1 7   -19 0  o 65.27963 3.395635  910.8965       91.22302 962.7689       
119.8801 839.5425       140.6010 67.55956 4.226505 62.99971 5.315826 4.559841 
6.791270 
1 1 1 7   -19 1  o 74.53684 3.379125  1137.068       102.0767 1044.025       
126.5232 1310.546       172.7630 70.34935 4.283820 78.72433 5.227125 -8.374985 
6.758250 
1 1 1 7   -19 2  o 167.5269 5.262108  5883.559       334.6485 5757.717       
394.4627 6206.708       632.1143 164.8934 5.698018 170.1605 8.848262 -5.267059 
10.52422 
1 1 1 7   -19 3  o 115.8766 3.520073  2843.712       170.8844 3003.395       
239.0884 2676.949       244.3308 119.2403 4.775916 112.5130 5.172454 6.727287 
7.040146 
1 1 1 7   -19 4  o 87.06815 3.777608  1566.457       131.2919 1487.744       
160.4907 1725.713       228.2842 83.93640 4.554289 90.19988 6.028246 -6.263481 
7.555217 
1 1 1 7   -19 5  o 99.01289 3.592713  2059.146       144.8121 2013.618       
182.6786 2136.137       237.5556 97.64140 4.456304 100.3844 5.636640 -2.742966 
7.185426 
1 1 1 7   -19 6  o 80.75511 3.431358  1383.958       115.3494 1410.931       
154.3156 1349.803       173.6477 81.69550 4.499173 79.81472 5.182115 1.880775 
6.862716 
1 1 1 7   -19 7  f 42.51149 5.023155  399.6111       85.99532 463.2483       
118.4322 328.6397       125.0707 46.63503 6.048929 38.38795 8.021146 8.247086 
10.04631 
1 1 1 7   -19 8  o 130.7786 4.269253  3636.629       225.1485 3599.425       
281.1482 3703.146       375.9314 130.1479 5.145402 131.4093 6.814025 -1.261383 
8.538507 
1 1 1 7   -19 9  o 55.00034 3.919530  645.0410       90.14047 641.5024       
121.9873 649.2971       133.7835 54.87296 5.295137 55.12772 5.780345 
-0.2547531     7.839060 
1 1 1 7   -19 10 o 75.36026 3.424698  1207.136       107.5719 1194.240       
143.4357 1223.712       162.6241 74.96077 4.557683 75.75974 5.112901 
-0.7989731     6.849397 
1 1 1 7   -19 11 f 105.7637 4.655274  2417.696       206.6842 2431.307       
294.9437 2404.562       289.7176 106.0368 6.625269 105.4907 6.541568 0.5461197 
9.310548 
1 1 1 7   -19 12 o 43.86649 5.854019  424.6497       104.9823 518.1451       
160.4052 354.5926       138.8512 48.49102 7.879127 39.24196 8.660110 9.249062 
11.70804 
1 1 1 7   -19 13 o 69.89964 4.403010  1062.400       126.5031 1068.257       
200.3195 1058.515       163.1517 69.80537 6.835266 69.99391 5.552038 
-0.1885376     8.806020 
1 1 1 7   -19 14 o 62.29575 4.998230  892.8693       123.3122 740.0920       
199.7997 986.8693       156.7217 57.18316 8.322383 67.40835 5.537791 -10.22519 
9.996459 
1 1 1 7   -19 15 o 50.89310 6.206974  632.3039       121.9830 506.4279       
196.6267 711.0609       155.5305 45.16592 10.54977 56.62028 6.542814 -11.45436 
12.41395 
1 1 1 7   -19 16 f 42.86814 6.726444  462.1465       120.8321 335.9406       
180.4547 564.7242       162.6878 36.16335 10.94884 49.57293 7.816843 -13.40958 
13.45289 
1 1 1 7   -19 17 o 23.81275 7.070074  -14.88771      104.4365 261.6813       
223.9880 -91.71545      118.0543 32.15717 12.14224 15.46833 7.246365 16.68884 
14.14015 
1 1 1 7   -19 18 o 63.41477 6.368553  973.2175       136.5527 1008.676       
282.4043 962.3972       156.0025 61.25076 11.40738 65.57878 5.666164 -4.328026 
12.73711 
1 1 1 7   -19 19 o 36.69402 8.108392  360.3381       127.6890 465.8319       
246.0784 321.4676       149.3723 38.71412 12.90784 34.67392 9.816910 4.040195 
16.21678 
1 1 1 7   -19 20 o 29.80078 6.935787  250.1539       94.18909 149.3475       
241.1614 268.2988       102.3155 26.82162 11.61744 32.77994 7.579943 -5.958317 
13.87157 
1 1 1 7   -19 21 o 28.38321 6.894709  213.0253       87.81213 261.9865       
193.9213 200.3963       98.48824 29.17242 11.21493 27.59400 8.023305 1.578417 
13.78942 
1 1 1 7   -19 22 o 20.69802 5.344254  80.16416       81.04504 -196.2773      
147.2126 200.3865       97.08142 14.42112 7.084478 26.97492 8.003398 -12.55380 
10.68851 
1 1 1 7   -18 0  o 98.09669 3.286211  2035.049       135.1147 2133.010       
189.0942 1932.861       193.1318 100.5326 4.480148 95.66081 4.808846 4.871773 
6.572421 
1 1 1 7   -18 1  o 69.79390 3.328537  1049.465       94.60157 1129.285       
122.7580 932.7427       148.4466 73.18640 3.995217 66.40141 5.324930 6.784996 
6.657074 
1 1 1 7   -18 2  o 49.04794 3.870453  510.8988       79.22076 527.2310       
107.3768 491.3893       117.3575 49.93607 5.121735 48.15982 5.804262 1.776249 
7.740906 
1 1 1 7   -18 3  o 131.5265 4.123853  3663.568       225.8359 3654.692       
300.5726 3675.075       342.2266 131.4202 5.447641 131.6328 6.192565 
-0.2126770     8.247705 
1 1 1 7   -18 4  o 34.52711 5.414989  256.7225       76.09458 207.2950       
99.65102 325.8551       117.8524 30.58853 7.747533 38.46568 7.567309 -7.877153 
10.82998 
1 1 1 7   -18 5  o 76.81210 3.475712  1250.623       109.8270 1266.934       
142.3224 1226.613       172.6801 77.48549 4.374958 76.13871 5.402040 1.346779 
6.951424 
1 1 1 7   -18 6  o 142.9046 5.005773  4415.385       289.3253 4624.799       
368.4840 4078.735       467.2034 147.6888 5.942816 138.1204 8.056921 9.568329 
10.01155 
1 1 1 7   -18 7  o 94.64450 3.770130  1856.529       146.4052 1719.467       
185.4375 2083.345       238.5480 90.17029 4.898410 99.11871 5.732461 -8.948425 
7.540260 
1 1 1 7   -18 8  o 68.15135 3.565378  961.5876       99.67253 886.7566       
126.1191 1086.084       162.6739 64.74651 4.639653 71.55619 5.414915 -6.809685 
7.130756 
1 1 1 7   -18 9  o 102.5861 4.205583  2257.408       179.2895 2375.466       
241.1550 2111.512       268.0852 105.7294 5.432775 99.44276 6.421268 6.286606 
8.411166 
1 1 1 7   -18 10 o 168.3833 6.831405  6238.633       469.8325 6145.557       
752.3456 6298.138       601.5529 166.4659 10.76498 170.3006 8.413539 -3.834641 
13.66281 
1 1 1 7   -18 11 o 55.42773 4.951347  676.0868       111.9934 592.7108       
173.4301 735.7227       146.6757 52.23252 7.908692 58.62294 5.959526 -6.390419 
9.902694 
1 1 1 7   -18 12 o 82.40355 4.737607  1432.217       154.8126 1570.844       
272.2237 1365.952       188.2111 84.93974 7.633717 79.86736 5.613024 5.072380 
9.475214 
1 1 1 7   -18 13 o 36.87284 6.865999  320.9254       104.7983 286.9514       
180.6563 338.1567       128.6584 35.23436 11.01376 38.51132 8.201521 -3.276966 
13.73200 
1 1 1 7   -18 14 o 57.43117 4.349668  697.2917       102.2498 797.9413       
168.1568 638.2462       128.7960 60.48608 6.621862 54.37626 5.641752 6.109818 
8.699335 
1 1 1 7   -18 15 o 34.85524 7.173355  284.9120       109.7073 330.7440       
173.2953 254.2589       141.7227 36.93130 10.61198 32.77918 9.654737 4.152126 
14.34671 
1 1 1 7   -18 16 o 43.61729 6.114757  442.4077       105.3469 476.7148       
172.2347 421.9013       133.1599 44.50778 9.497244 42.72681 7.704762 1.780972 
12.22951 
1 1 1 7   -18 17 o 76.52815 3.909073  1270.375       124.4421 1180.519       
163.2404 1395.042       192.2791 73.47472 5.291890 79.58159 5.754937 -6.106873 
7.818145 
1 1 1 7   -18 18 o 66.86732 6.152045  1059.630       159.5385 1061.562       
282.5690 1058.727       193.2945 65.35466 10.29838 68.37998 6.733046 -3.025322 
12.30409 
1 1 1 7   -18 19 o 20.04254 6.364828  -9.150789      106.8815 -124.7507      
207.7854 32.44062       124.6345 20.24031 9.505452 19.84477 8.467025 0.3955421 
12.72966 
1 1 1 7   -18 20 o 30.30891 6.587717  260.6012       93.15914 101.1800       
213.6828 298.0131       103.5146 25.50457 10.98972 35.11325 7.267607 -9.608681 
13.17543 
1 1 1 7   -18 21 o 33.97422 7.188532  290.1766       93.70054 383.2599       
219.3322 269.3956       103.6335 35.11373 12.17143 32.83470 7.652200 2.279030 
14.37706 
1 1 1 7   -18 22 o 61.74011 4.489748  936.4366       109.6262 745.3842       
173.0428 1064.522       141.6862 54.86208 7.512808 68.61813 4.918239 -13.75605 
8.979497 
1 1 1 7   -18 23 o 28.60776 6.930567  232.8289       91.64984 312.4279       
180.3208 205.1042       106.4206 30.26191 10.98089 26.95361 8.458792 3.308304 
13.86113 
1 1 1 7   -17 0  o 20.37353 5.465720  59.05985       63.18807 41.99249       
80.73990 86.03532       101.5055 18.32762 7.196378 22.41945 8.228518 -4.091833 
10.93144 
1 1 1 7   -17 1  o 169.1718 5.276650  6093.132       345.7096 6099.903       
415.7203 6077.953       622.4659 169.7643 5.832785 168.5793 8.794929 1.184982 
10.55330 
1 1 1 7   -17 2  o 117.2169 3.921848  2937.679       186.7347 3036.613       
238.2112 2779.972       300.7573 119.9293 4.731056 114.5046 6.256251 5.424614 
7.843696 
1 1 1 7   -17 3  o 218.9434 7.163564  10226.98       621.4304 10000.92       
758.8527 10687.20       1082.772 216.2494 8.358410 221.6375 11.63630 -5.388062 
14.32713 
1 1 1 7   -17 4  o 99.74986 4.511097  2121.329       188.0495 1935.781       
270.1288 2295.804       261.9442 95.43440 6.741973 104.0653 5.995479 -8.630905 
9.022194 
1 1 1 7   -17 5  o 226.7095 8.838543  11250.24       840.0284 11201.56       
1219.256 11294.24       1158.993 225.9786 12.85134 227.4404 12.13764 -1.461777 
17.67709 
1 1 1 7   -17 6  o 210.2551 8.271598  9569.911       718.9246 9919.615       
1126.839 9329.849       933.6256 212.8724 12.60850 207.6378 10.70995 5.234650 
16.54320 
1 1 1 7   -17 7  o 24.56227 6.666746  89.64027       92.63730 88.95115       
159.3014 89.99238       113.8707 25.80195 10.11359 23.32258 8.688914 2.479376 
13.33349 
1 1 1 7   -17 8  o 143.9754 5.577338  4393.351       311.3921 4524.500       
563.5363 4335.706       373.6102 145.0315 9.255090 142.9194 6.226566 2.112106 
11.15468 
1 1 1 7   -17 9  o 49.91573 4.897772  515.1193       100.0912 602.5971       
164.9931 464.1806       125.9044 53.11475 7.398977 46.71671 6.419333 6.398045 
9.795545 
1 1 1 7   -17 10 o 32.80228 6.706565  241.7499       104.2224 116.7387       
158.9850 335.9580       138.0148 26.88502 10.20672 38.71954 8.702578 -11.83453 
13.41313 
1 1 1 7   -17 11 o 259.5824 10.35132  15371.53       1039.734 15825.47       
1870.791 15168.64       1250.681 257.8556 17.28104 261.3092 11.40021 -3.453674 
20.70263 
1 1 1 7   -17 12 o 122.3724 5.233753  3271.705       261.2085 3059.595       
414.0828 3411.892       336.6367 118.5892 8.316931 126.1555 6.355891 -7.566269 
10.46751 
1 1 1 7   -17 13 o 86.81975 4.657248  1565.469       161.6700 1815.447       
282.5125 1443.745       197.1408 91.51454 7.353068 82.12495 5.717713 9.389587 
9.314497 
1 1 1 7   -17 14 o 56.62692 5.243551  701.3968       114.8122 692.7386       
206.0598 705.2949       138.2626 55.95148 8.772085 57.30236 5.747158 -1.350880 
10.48710 
1 1 1 7   -17 15 o 103.1806 4.247751  2300.045       183.6958 2261.701       
251.7083 2343.739       268.6930 102.3357 5.858569 104.0256 6.152295 -1.689911 
8.495502 
1 1 1 7   -17 16 o 18.73949 6.011975  -64.89114      102.8693 -50.94688      
148.8507 -77.63990      142.3269 19.34551 8.710864 18.13346 8.288320 1.212053 
12.02395 
1 1 1 7   -17 17 o 60.59202 5.005641  815.1849       126.7323 713.4401       
174.6216 928.4176       184.2161 56.46463 7.366183 64.71941 6.779757 -8.254776 
10.01128 
1 1 1 7   -17 18 o 39.56328 6.621037  377.2874       109.9421 272.0566       
149.0898 502.7203       162.7729 33.22072 9.930732 45.90583 8.759744 -12.68511 
13.24207 
1 1 1 7   -17 19 o 27.01337 7.756522  136.1378       134.4340 105.1142       
230.6270 152.1041       165.4493 27.17950 11.55464 26.84723 10.35107 0.3322678 
15.51304 
1 1 1 7   -17 20 o 23.57468 6.940773  89.97607       95.78904 36.43697       
234.8457 100.6608       104.9128 25.00585 11.11031 22.14350 8.322151 2.862356 
13.88155 
1 1 1 7   -17 21 o 50.03911 6.249012  617.8228       109.0415 632.6583       
219.2584 612.9479       125.6865 47.96331 11.09964 52.11491 5.744442 -4.151604 
12.49802 
1 1 1 7   -17 22 o 16.62839 5.358006  -36.60287      83.28716 -136.0233      
143.6577 13.73401       102.2196 15.91665 7.616703 17.34013 7.537824 -1.423483 
10.71601 
1 1 1 7   -17 23 o 19.70348 5.876988  52.30493       87.27819 -81.28570      
163.4489 105.5891       103.2270 17.90624 8.414999 21.50072 8.206324 -3.594475 
11.75398 
1 1 1 7   -17 24 o 32.90844 7.049000  308.1021       98.27474 423.3035       
183.4758 261.7541       116.3766 35.52184 11.09852 30.29503 8.693470 5.226810 
14.09800 
1 1 1 7   -16 0  o 125.3614 6.371277  3323.748       335.3276 3323.748       
335.3276 0.000000       0.000000 125.3614 6.371277 ?        ?        ? ? 
1 1 1 7   -16 1  o 126.3674 4.092652  3363.354       216.5305 3516.809       
320.8019 3234.940       293.4619 128.9865 5.923985 123.7483 5.648506 5.238159 
8.185305 
1 1 1 7   -16 2  o 48.70471 6.252242  502.1210       127.8456 0.000000       
0.000000 502.1210       127.8456 ?        ?        48.70471 6.252242 ? ? 
1 1 1 7   -16 3  o 132.5339 7.466965  3734.906       415.4799 0.000000       
0.000000 3734.906       415.4799 ?        ?        132.5339 7.466965 ? ? 
1 1 1 7   -16 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -16 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -16 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -16 7  o 113.2551 6.803905  2726.415       323.5153 0.000000       
0.000000 2726.415       323.5153 ?        ?        113.2551 6.803905 ? ? 
1 1 1 7   -16 8  o 62.72419 5.905512  833.6478       155.5147 0.000000       
0.000000 833.6478       155.5147 ?        ?        62.72419 5.905512 ? ? 
1 1 1 7   -16 9  o 73.24677 5.977864  1137.363       183.8288 0.000000       
0.000000 1137.363       183.8288 ?        ?        73.24677 5.977864 ? ? 
1 1 1 7   -16 10 o 129.1173 5.196186  3540.292       264.2776 3601.817       
463.2920 3510.616       321.7626 129.5941 8.515115 128.6406 5.957701 0.9535675 
10.39237 
1 1 1 7   -16 11 o 113.0176 5.139533  2686.641       238.6413 2938.868       
385.6416 2530.116       303.7943 117.0794 7.845568 108.9559 6.641255 8.123573 
10.27907 
1 1 1 7   -16 12 o 120.5025 5.085058  3094.583       238.6945 3165.146       
427.5666 3062.634       287.7001 121.0268 8.414790 119.9781 5.711617 1.048653 
10.17012 
1 1 1 7   -16 13 o 179.4912 7.589338  7108.901       564.7676 7409.466       
876.7088 6895.695       738.3887 182.0240 11.47223 176.9585 9.938820 5.065521 
15.17868 
1 1 1 7   -16 14 o 92.67448 5.213331  1871.222       196.7728 1806.228       
315.9605 1912.401       251.4990 90.98824 8.271202 94.36073 6.348426 -3.372498 
10.42666 
1 1 1 7   -16 15 o 19.75105 6.173229  -33.47179      99.34312 -7.796486      
154.0306 -51.75877      129.9931 21.34469 9.265408 18.15740 8.160101 3.187296 
12.34646 
1 1 1 7   -16 16 o 61.10456 5.493376  814.8372       140.3280 910.2777       
210.0041 737.8429       188.6212 64.30637 7.778480 57.90274 7.759121 6.403633 
10.98675 
1 1 1 7   -16 17 o 104.3232 4.846432  2375.019       211.5476 2214.769       
285.1977 2571.041       315.4282 100.4973 6.759474 108.1491 6.947021 -7.651855 
9.692863 
1 1 1 7   -16 18 o 50.71171 5.063554  573.4901       107.6105 547.2827       
154.1167 598.4230       150.3225 49.47243 7.420062 51.95098 6.892097 -2.478546 
10.12711 
1 1 1 7   -16 19 o 26.70311 6.974264  151.3145       103.1871 161.0615       
150.8606 142.7454       141.4508 27.28665 10.02986 26.11958 9.693466 1.167065 
13.94853 
1 1 1 7   -16 20 f 28.01372 6.690708  175.2779       85.89139 221.5457       
164.9930 158.0783       100.5971 30.12551 10.54560 25.90193 8.237272 4.223576 
13.38142 
1 1 1 7   -16 21 o 63.56187 5.938339  971.1228       116.2527 954.0106       
267.0936 975.1224       129.1254 60.33458 10.94759 66.78915 4.604969 -6.454578 
11.87668 
1 1 1 7   -16 22 o 24.93819 5.990709  152.5945       79.81097 64.24580       
133.2663 202.0024       99.65952 21.36931 8.917706 28.50708 8.001805 -7.137764 
11.98142 
1 1 1 7   -16 23 o 55.13025 4.275644  689.9341       95.93488 737.4285       
157.7464 662.0577       120.8529 56.06631 6.701601 54.19419 5.311599 1.872116 
8.551289 
1 1 1 7   -16 24 o 48.38754 6.013799  636.5145       107.2425 512.7294       
186.5427 697.6225       131.0670 41.85477 10.59958 54.92032 5.684357 -13.06555 
12.02760 
1 1 1 7   -16 25 o 43.46247 6.579629  557.2346       113.4924 483.6449       
191.4066 597.1351       140.9411 38.03369 11.22582 48.89125 6.866375 -10.85756 
13.15926 
1 1 1 7   -15 0  o 35.55617 8.376678  278.8072       123.1337 0.000000       
0.000000 278.8072       123.1337 ?        ?        35.55617 8.376678 ? ? 
1 1 1 7   -15 1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -15 2  o 81.73278 4.971687  1408.245       170.6000 1408.245       
170.6000 0.000000       0.000000 81.73278 4.971687 ?        ?        ? ? 
1 1 1 7   -15 3  o 208.0875 7.607197  9187.769       664.5836 9187.769       
664.5836 0.000000       0.000000 208.0875 7.607197 ?        ?        ? ? 
1 1 1 7   -15 4  o 119.8746 5.228938  3033.480       263.1599 3033.480       
263.1599 0.000000       0.000000 119.8746 5.228938 ?        ?        ? ? 
1 1 1 7   -15 5  f 203.8322 5.861459  8789.622       501.6000 8789.622       
501.6000 0.000000       0.000000 203.8322 5.861459 ?        ?        ? ? 
1 1 1 7   -15 6  f 86.52950 5.720620  1584.545       207.8195 1584.545       
207.8195 0.000000       0.000000 86.52950 5.720620 ?        ?        ? ? 
1 1 1 7   -15 7  o 26.84371 9.637367  132.2195       138.5709 132.2195       
138.5709 0.000000       0.000000 26.84371 9.637367 ?        ?        ? ? 
1 1 1 7   -15 8  o 83.35085 6.949772  1477.770       243.1977 1477.770       
243.1977 0.000000       0.000000 83.35085 6.949772 ?        ?        ? ? 
1 1 1 7   -15 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -15 10 o 165.1627 6.946693  5801.286       481.6914 0.000000       
0.000000 5801.286       481.6914 ?        ?        165.1627 6.946693 ? ? 
1 1 1 7   -15 11 o 87.88435 6.200246  1639.153       228.7702 0.000000       
0.000000 1639.153       228.7702 ?        ?        87.88435 6.200246 ? ? 
1 1 1 7   -15 12 o 171.6169 6.277028  6298.509       407.5759 6435.395       
766.9551 6244.637       481.1381 171.9899 10.62155 171.2439 6.692303 0.7459869 
12.55406 
1 1 1 7   -15 13 o 129.7818 5.770178  3599.468       310.9823 3813.031       
481.7045 3446.851       407.2121 132.8602 8.635882 126.7033 7.655153 6.156967 
11.54036 
1 1 1 7   -15 14 o 38.29319 7.039003  336.3069       116.0451 257.0109       
167.3177 409.8051       161.0847 34.03312 10.59159 42.55326 9.274078 -8.520142 
14.07801 
1 1 1 7   -15 15 o 47.94802 5.989101  516.1154       116.2423 455.9885       
172.6416 565.9809       157.2213 44.72706 9.482404 51.16898 7.318562 -6.441925 
11.97820 
1 1 1 7   -15 16 o 139.3200 6.382081  4269.272       371.0493 4477.997       
561.0733 4107.034       494.6642 142.0274 9.409545 136.6127 8.624632 5.414703 
12.76416 
1 1 1 7   -15 17 o 26.66404 6.044303  93.07984       96.70030 -100.7242      
133.5900 306.4029       140.1559 16.98124 7.868189 36.34684 9.177473 -19.36560 
12.08861 
1 1 1 7   -15 18 o 55.80000 5.162880  692.0847       119.0718 650.5500       
181.5248 723.4531       157.7526 54.04907 7.999610 57.55091 6.528980 -3.501842 
10.32576 
1 1 1 7   -15 19 o 81.41397 4.096310  1433.645       138.7068 1532.422       
213.7451 1361.789       182.3067 83.65772 6.085711 79.17023 5.484812 4.487495 
8.192620 
1 1 1 7   -15 20 o 28.58836 6.727431  195.4459       89.97619 125.7265       
188.2304 216.0945       102.4373 26.95751 10.84619 30.21920 7.961998 -3.261684 
13.45486 
1 1 1 7   -15 21 o 47.00992 6.040793  580.1465       97.39378 418.0515       
190.4085 637.5829       113.3430 40.01427 10.99888 54.00557 4.998930 -13.99130 
12.08159 
1 1 1 7   -15 22 o 46.50464 5.086164  466.6591       93.60233 658.3193       
162.1955 370.9557       114.6137 53.34758 7.241776 39.66169 7.143733 13.68589 
10.17233 
1 1 1 7   -15 23 f 66.07935 4.213327  1003.781       110.6318 939.9899       
184.9187 1039.341       138.0667 63.55412 6.930398 68.60457 4.793546 -5.050446 
8.426655 
1 1 1 7   -15 24 o 65.00820 5.040227  1034.639       120.0400 923.9396       
224.0141 1079.229       142.1757 60.44615 8.827297 69.57026 4.867688 -9.124111 
10.08045 
1 1 1 7   -15 25 o 30.83899 7.010539  283.0446       105.5196 218.5774       
180.3820 316.5816       130.1026 27.61427 10.77463 34.06371 8.972064 -6.449440 
14.02108 
1 1 1 7   -15 26 o 22.14401 6.712929  104.9206       102.4711 136.8796       
196.8914 93.04835       120.0043 23.64469 10.36890 20.64333 8.528750 3.001358 
13.42586 
1 1 1 7   -14 0  f 169.5741 5.243847  6055.720       373.3262 6055.720       
373.3262 0.000000       0.000000 169.5741 5.243847 ?        ?        ? ? 
1 1 1 7   -14 1  o 203.5020 5.491487  8379.141       422.4910 7923.645       
492.9851 9638.994       819.8818 193.8387 6.057793 213.1654 9.161269 -19.32666 
10.98297 
1 1 1 7   -14 2  o 253.6780 6.400883  13648.53       681.3138 13375.93       
944.2412 13944.59       984.0367 251.0665 8.958087 256.2896 9.145374 -5.223083 
12.80177 
1 1 1 7   -14 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -14 4  o 70.35561 3.291592  1078.307       93.04891 1194.939       
119.7790 900.8021       147.7670 75.35941 3.785857 65.35180 5.385685 10.00761 
6.583185 
1 1 1 7   -14 5  o 52.68639 3.607288  594.2041       78.27510 641.4200       
103.8270 532.0317       119.1420 55.17588 4.482107 50.19689 5.653391 4.978989 
7.214576 
1 1 1 7   -14 6  o 34.28390 6.291103  261.5814       90.68330 243.7547       
141.3813 274.0416       118.2005 33.36462 9.584514 35.20317 8.151628 -1.838558 
12.58221 
1 1 1 7   -14 7  o 136.6352 4.946855  3960.831       277.0154 3974.468       
442.7636 3952.058       355.1010 136.6630 7.716887 136.6075 6.191539 
0.5549622E-01  9.893710 
1 1 1 7   -14 8  o 57.80314 7.038607  710.2307       170.8115 710.2307       
170.8115 0.000000       0.000000 57.80314 7.038607 ?        ?        ? ? 
1 1 1 7   -14 9  o 87.79305 6.337989  1635.670       233.6095 1635.670       
233.6095 0.000000       0.000000 87.79305 6.337989 ?        ?        ? ? 
1 1 1 7   -14 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -14 11 o 77.76329 6.145177  1282.317       200.6264 0.000000       
0.000000 1282.317       200.6264 ?        ?        77.76329 6.145177 ? ? 
1 1 1 7   -14 12 o 252.7129 8.271228  13914.45       870.5198 13933.53       
1315.853 13899.59       1160.864 252.2731 12.42389 253.1526 10.92245 
-0.8795776     16.54246 
1 1 1 7   -14 13 f 82.22712 4.826184  1411.741       163.8614 1591.329       
261.6322 1295.828       210.1922 86.37815 7.214535 78.07609 6.412385 8.302063 
9.652368 
1 1 1 7   -14 14 o 148.6274 5.987770  4772.201       355.8473 4800.643       
441.8671 4719.714       600.2505 149.8604 7.023051 147.3945 9.700015 2.465912 
11.97554 
1 1 1 7   -14 15 o 138.1007 5.667952  4082.480       322.4582 3931.984       
414.4658 4313.275       513.2617 135.2390 7.299745 140.9625 8.672742 -5.723434 
11.33590 
1 1 1 7   -14 16 o 90.92313 4.161657  1776.294       156.2543 1719.037       
241.6659 1817.427       204.8287 89.49523 6.431860 92.35103 5.282872 -2.855797 
8.323314 
1 1 1 7   -14 17 o 59.24611 4.889356  754.1478       120.1639 927.9579       
177.3805 606.7304       163.3590 65.63078 6.437531 52.86143 7.360802 12.76935 
9.778712 
1 1 1 7   -14 18 o 32.57481 7.090572  241.3326       106.0591 261.0096       
158.0390 225.2092       143.0580 33.65957 10.25739 31.49004 9.792388 2.169535 
14.18114 
1 1 1 7   -14 19 o 58.66320 5.003638  765.1000       121.1950 693.8661       
183.0711 820.6750       161.7023 55.92191 7.797562 61.40450 6.272449 -5.482590 
10.00728 
1 1 1 7   -14 20 o 50.64314 5.340293  600.5682       96.94688 532.0926       
180.1845 628.4678       115.0134 47.36657 9.394762 53.91970 5.080684 -6.553131 
10.68059 
1 1 1 7   -14 21 o 59.99010 4.677309  777.4358       103.8117 853.9686       
204.9330 751.0179       120.4029 61.13004 7.985062 58.85017 4.873155 2.279865 
9.354617 
1 1 1 7   -14 22 o 30.28562 6.610934  188.0622       84.47945 333.8100       
166.5302 137.5576       98.02968 36.08702 10.41368 24.48421 8.146961 11.60281 
13.22187 
1 1 1 7   -14 23 o 38.63594 5.772474  366.7313       90.99339 319.0246       
140.9820 400.7946       119.1289 35.41437 9.345115 41.85751 6.778985 -6.443138 
11.54495 
1 1 1 7   -14 24 o 23.85674 6.647214  103.6510       89.43204 175.5512       
170.0401 76.15649       105.1501 27.11554 10.48557 20.59793 8.172801 6.517614 
13.29443 
1 1 1 7   -14 25 o 20.38426 6.230281  43.77936       96.07645 -91.94347      
195.1503 87.20004       110.3802 19.65251 9.226238 21.11600 8.375092 -1.463491 
12.46056 
1 1 1 7   -14 26 o 19.13897 6.210054  -31.15044      99.61256 83.95924       
190.9582 -74.18330      116.7569 23.07488 10.16463 15.20305 7.137190 7.871830 
12.42011 
1 1 1 7   -14 27 o 22.10907 6.381677  120.0040       102.4983 -133.3754      
232.8586 180.8949       114.1518 19.11782 9.270222 25.10032 8.773039 -5.982506 
12.76335 
1 1 1 7   -13 0  o 65.45529 3.564473  895.5131       94.61134 878.7515       
118.7284 924.6740       156.6028 64.64140 4.374870 66.26919 5.628710 -1.627792 
7.128945 
1 1 1 7   -13 1  o 246.4848 6.202568  11444.76       446.8248 10947.34       
477.7139 14922.30       1263.106 228.0773 4.988925 264.8923 11.35773 -36.81508 
12.40514 
1 1 1 7   -13 2  o 228.4701 4.693510  9817.128       223.2994 9651.411       
230.1843 12463.67       919.8833 214.3465 2.557881 242.5938 9.031797 -28.24725 
9.387019 
1 1 1 7   -13 3  o 32.17425 5.191108  219.3901       62.88311 210.5447       
73.75995 242.9240       120.3121 31.10214 5.863373 33.24636 8.568038 -2.144220 
10.38222 
1 1 1 7   -13 4  o 42.65869 4.498611  395.7294       66.97281 401.2927       
77.32787 379.0299       133.9751 43.67183 4.217506 41.64555 7.947493 2.026283 
8.997222 
1 1 1 7   -13 5  o 74.06242 4.760533  1155.260       148.0241 1155.260       
148.0241 0.000000       0.000000 74.06242 4.760533 ?        ?        ? ? 
1 1 1 7   -13 6  f 25.11026 6.078899  118.9592       77.29229 154.1071       
116.0590 90.94576       103.6124 27.33568 8.863359 22.88484 8.321834 4.450842 
12.15780 
1 1 1 7   -13 7  o 187.7347 6.418103  7513.109       505.7920 7551.192       
710.6207 7474.009       720.0685 188.2435 8.991643 187.2259 9.160706 1.017517 
12.83621 
1 1 1 7   -13 8  o 187.1550 5.959636  7422.092       465.0912 7814.523       
706.8820 7122.534       617.5987 191.3670 8.798343 182.9429 8.041034 8.424149 
11.91927 
1 1 1 7   -13 9  o 63.80884 4.562585  892.2199       117.7504 647.2073       
171.7355 1109.597       161.7604 55.16084 7.415667 72.45685 5.317577 -17.29601 
9.125171 
1 1 1 7   -13 10 o 263.2807 16.44864  15596.68       1818.142 15596.68       
1818.142 0.000000       0.000000 263.2807 16.44864 ?        ?        ? ? 
1 1 1 7   -13 11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -13 12 o 39.48228 8.501098  346.1472       136.8826 0.000000       
0.000000 346.1472       136.8826 ?        ?        39.48228 8.501098 ? ? 
1 1 1 7   -13 13 o 141.7235 5.793606  4269.316       337.1258 4178.384       
431.7508 4411.366       539.6272 140.0532 7.342790 143.3938 8.963645 -3.340530 
11.58721 
1 1 1 7   -13 14 o 109.0862 5.478969  2514.521       249.2937 2794.856       
379.9945 2302.698       330.3123 114.3223 7.917121 103.8500 7.575989 10.47237 
10.95794 
1 1 1 7   -13 15 o 44.08839 6.705495  466.0263       123.0665 248.9269       
190.8115 620.6585       161.0368 34.28708 11.36630 53.88969 7.117715 -19.60260 
13.41099 
1 1 1 7   -13 16 o 91.15596 4.385648  1751.050       163.2940 1870.975       
267.0945 1679.471       206.3504 93.46127 6.806976 88.85066 5.531790 4.610603 
8.771296 
1 1 1 7   -13 17 o 32.24504 6.911746  232.5982       108.3946 322.5276       
144.1233 115.4846       164.4701 37.63453 9.188757 26.85555 10.32742 10.77898 
13.82349 
1 1 1 7   -13 18 o 60.16190 5.138604  784.9149       129.7772 769.6365       
182.9941 800.3743       184.0761 59.55930 7.318273 60.76451 7.215532 -1.205215 
10.27721 
1 1 1 7   -13 19 o 77.59113 4.589264  1308.465       148.9082 1200.290       
213.1327 1411.624       208.1322 74.31827 6.830865 80.86398 6.130632 -6.545708 
9.178528 
1 1 1 7   -13 20 o 51.14254 5.560197  597.5334       102.3629 565.1523       
193.1815 610.1743       120.7005 49.09192 9.718641 53.19316 5.404736 -4.101246 
11.12039 
1 1 1 7   -13 21 o 69.79044 4.380192  1084.280       109.4804 1033.233       
219.1091 1101.265       126.3885 67.87708 7.688794 71.70380 4.198426 -3.826714 
8.760385 
1 1 1 7   -13 22 o 25.75145 6.583426  140.0776       84.89929 134.1830       
165.0434 142.1987       99.00250 26.48286 10.31185 25.02003 8.187286 1.462828 
13.16685 
1 1 1 7   -13 23 o 44.67759 5.742212  485.1899       93.28828 437.1619       
174.2493 504.4868       110.4505 41.52744 10.08145 47.82773 5.500586 -6.300293 
11.48442 
1 1 1 7   -13 24 o 37.84562 6.577154  402.0531       97.86861 250.3548       
209.0688 444.6239       110.7529 31.18962 11.74291 44.50162 5.927890 -13.31200 
13.15431 
1 1 1 7   -13 25 o 40.37125 6.389832  419.4238       100.4810 394.4053       
182.4226 430.3203       120.3902 37.61740 10.91354 43.12510 6.649394 -5.507706 
12.77966 
1 1 1 7   -13 26 o 30.75192 6.483862  287.8539       106.8789 7.960421       
219.5164 374.8200       122.3617 22.74855 10.36389 38.75529 7.794332 -16.00674 
12.96772 
1 1 1 7   -13 27 o 29.35951 6.957890  259.1336       101.4725 191.2573       
201.8555 282.0867       117.3823 26.41476 10.99614 32.30426 8.528410 -5.889503 
13.91578 
1 1 1 7   -13 28 o 19.68461 6.254983  45.36772       98.27055 35.65654       
196.5652 48.60372       113.4684 20.90631 9.632181 18.46290 7.982504 2.443411 
12.50997 
1 1 1 7   -12 0  o 172.6240 2.557916  6254.568       185.2260 6091.037       
255.6638 6435.231       268.7221 170.2540 3.576787 174.9941 3.657640 -4.740158 
5.115832 
1 1 1 7   -12 1  o 235.7055 4.022513  11615.46       306.2712 11571.17       
338.0818 11818.11       723.2371 234.6652 3.431580 236.7458 7.276449 -2.080582 
8.045027 
1 1 1 7   -12 2  o 97.16840 2.076162  1994.922       84.02140 2091.592       
113.6255 1878.286       124.8087 99.78629 2.712227 94.55052 3.144140 5.235764 
4.152324 
1 1 1 7   -12 3  o 146.8581 2.891494  4490.426       146.0326 4457.989       
164.3557 4612.054       318.2597 145.6779 2.687275 148.0383 5.120693 -2.360336 
5.782988 
1 1 1 7   -12 4  o 94.39191 2.677289  1894.467       104.8360 1607.154       
151.3531 2159.441       145.3501 87.42087 4.123796 101.3629 3.415524 -13.94207 
5.354577 
1 1 1 7   -12 5  o 92.61156 3.571858  1818.479       137.8455 1664.470       
201.9507 1952.822       188.6174 88.89419 5.411194 96.32893 4.663866 -7.434746 
7.143715 
1 1 1 7   -12 6  o 93.67566 5.001740  1848.128       196.7102 0.000000       
0.000000 1848.128       196.7102 ?        ?        93.67566 5.001740 ? ? 
1 1 1 7   -12 7  o 24.78843 5.618603  130.2695       67.93179 63.58596       
115.8414 165.2205       83.86570 22.12999 8.634563 27.44687 7.191600 -5.316881 
11.23721 
1 1 1 7   -12 8  o 43.74737 4.567917  406.0689       83.19623 392.7662       
124.8692 416.6882       111.5660 43.07851 6.904237 44.41623 5.982891 -1.337723 
9.135835 
1 1 1 7   -12 9  o 136.0422 5.130019  3975.307       280.8121 3744.367       
461.7879 4110.812       353.7290 132.6513 8.291864 139.4331 6.042628 -6.781845 
10.26004 
1 1 1 7   -12 10 o 140.8924 5.448371  4208.397       302.6990 4179.119       
368.9961 4268.641       529.2971 140.4680 6.256988 141.3168 8.921271 
-0.8487549     10.89674 
1 1 1 7   -12 11 o 82.00542 6.722116  1428.094       231.4342 1428.094       
231.4342 0.000000       0.000000 82.00542 6.722116 ?        ?        ? ? 
1 1 1 7   -12 12 o 65.83727 6.252899  919.6637       172.8352 0.000000       
0.000000 919.6637       172.8352 ?        ?        65.83727 6.252899 ? ? 
1 1 1 7   -12 13 o 26.49704 9.291449  134.4840       128.1290 0.000000       
0.000000 134.4840       128.1290 ?        ?        26.49704 9.291449 ? ? 
1 1 1 7   -12 14 o 108.7757 4.458906  2511.944       203.5117 2562.594       
284.9788 2459.230       290.7253 109.9191 6.175333 107.6322 6.433711 2.286865 
8.917812 
1 1 1 7   -12 15 o 140.0812 5.361235  4178.729       307.3620 4144.568       
392.5408 4232.859       494.1404 139.5979 6.697721 140.5645 8.373283 
-0.9665985     10.72247 
1 1 1 7   -12 16 o 127.9519 5.631707  3509.468       300.8902 3544.515       
450.3423 3481.207       404.4014 128.3893 8.354779 127.5145 7.553948 0.8747711 
11.26341 
1 1 1 7   -12 17 o 115.9072 4.492980  2705.899       193.2197 2535.299       
222.6296 3226.674       388.9728 109.3426 4.849699 122.4719 7.564913 -13.12930 
8.985961 
1 1 1 7   -12 18 o 135.6412 5.432437  3982.399       309.2718 3963.828       
431.8262 4001.955       443.1461 135.3613 7.598636 135.9211 7.765708 
-0.5598602     10.86487 
1 1 1 7   -12 19 o 104.3862 4.822598  2360.750       210.0917 2425.969       
284.6421 2282.699       311.3848 106.1563 6.386669 102.6161 7.227744 3.540161 
9.645197 
1 1 1 7   -12 20 o 44.20177 5.814672  433.0664       95.32375 451.1168       
179.2273 425.9464       112.5650 43.96663 9.941659 44.43691 6.033659 
-0.4702759     11.62934 
1 1 1 7   -12 21 o 26.52884 6.845968  105.4638       91.17648 240.2225       
177.5135 57.17197       106.2649 32.45942 10.96308 20.59827 8.202440 11.86115 
13.69194 
1 1 1 7   -12 22 o 61.74191 4.326191  804.4094       99.24946 903.8777       
196.1394 770.1746       115.0686 63.64240 7.340730 59.84141 4.580110 3.800991 
8.652383 
1 1 1 7   -12 23 o 43.99754 5.691300  424.9887       92.90958 512.6008       
178.4017 392.3832       108.8335 45.87992 9.574787 42.11515 6.155244 3.764767 
11.38260 
1 1 1 7   -12 24 o 57.63007 5.163623  700.4274       108.6174 891.7418       
225.3938 642.5605       123.9605 61.29315 8.758931 53.96700 5.471120 7.326149 
10.32725 
1 1 1 7   -12 25 o 40.22922 6.567092  351.6339       97.45985 563.3373       
198.5737 284.4558       111.8592 46.32726 10.45690 34.13118 7.947327 12.19608 
13.13418 
1 1 1 7   -12 26 o 26.28031 7.089128  159.0595       101.5528 180.7119       
190.6704 150.4850       119.9875 27.53756 10.98051 25.02307 8.969468 2.514492 
14.17826 
1 1 1 7   -12 27 o 23.75942 6.990143  104.6430       102.8454 149.8450       
207.1228 89.85131       118.4838 26.06906 11.01002 21.44979 8.615563 4.619268 
13.98029 
1 1 1 7   -12 28 o 22.85661 6.619935  122.5241       100.6594 28.58702       
202.3895 153.3975       116.0276 21.65327 9.891509 24.05995 8.800693 -2.406681 
13.23987 
1 1 1 7   -12 29 o 48.10276 6.677351  649.8698       115.6264 719.5997       
226.9852 625.4351       134.3666 45.79399 11.74915 50.41153 6.348665 -4.617535 
13.35470 
1 1 1 7   -11 0  f 118.1034 2.457381  2946.501       114.4853 2977.952       
140.1341 2883.380       198.5246 119.0736 2.803170 117.1332 4.036969 1.940399 
4.914762 
1 1 1 7   -11 1  o 343.9955 5.248055  24714.40       502.8483 24639.19       
537.5349 25241.36       1422.875 342.4281 3.739024 345.5630 9.807550 -3.134857 
10.49611 
1 1 1 7   -11 2  o 47.24555 2.980598  452.2644       56.29010 417.5749       
68.58593 523.8499       98.52551 44.57804 3.664671 49.91306 4.701707 -5.335011 
5.961197 
1 1 1 7   -11 3  o 99.58672 2.631248  2073.724       106.5302 2125.756       
174.9475 2043.061       134.2999 100.5611 4.143798 98.61230 3.243887 1.948837 
5.262496 
1 1 1 7   -11 4  o 253.4774 5.381356  13442.30       558.3090 14056.42       
904.5784 13064.40       709.5914 257.9844 8.351680 248.9704 6.788624 9.014008 
10.76271 
1 1 1 7   -11 5  o 179.4415 3.450805  6684.542       217.1303 6612.271       
246.0316 6939.077       461.7276 177.3880 3.303602 181.4951 6.059574 -4.107071 
6.901610 
1 1 1 7   -11 6  o 112.2933 2.956946  2672.445       138.2007 2451.410       
203.8891 2860.313       187.9706 107.9482 4.498832 116.6384 3.838572 -8.690186 
5.913892 
1 1 1 7   -11 7  o 55.51051 3.829409  637.4423       88.22996 790.6443       
134.4397 521.5372       116.9355 61.27045 5.226338 49.75056 5.598471 11.51990 
7.658818 
1 1 1 7   -11 8  o 128.4029 6.790679  3483.104       366.0725 3483.104       
366.0725 0.000000       0.000000 128.4029 6.790679 ?        ?        ? ? 
1 1 1 7   -11 9  o 30.18055 6.282292  196.2777       84.18957 194.6832       
110.3292 198.5004       130.2621 29.87950 8.429696 30.48160 9.317134 
-0.6021023     12.56458 
1 1 1 7   -11 10 o 168.1487 6.547932  6054.036       460.2964 6390.057       
634.8906 5681.709       668.3090 173.2348 8.729409 163.0625 9.762123 10.17229 
13.09586 
1 1 1 7   -11 11 o 109.2346 4.856854  2533.308       222.0636 2566.803       
303.6671 2494.807       325.5659 110.0587 6.571949 108.4104 7.153014 1.648361 
9.713709 
1 1 1 7   -11 12 o 205.3159 8.694148  9016.678       749.4258 9016.678       
749.4258 0.000000       0.000000 205.3159 8.694148 ?        ?        ? ? 
1 1 1 7   -11 13 o 40.22308 8.627206  359.4783       141.4824 0.000000       
0.000000 359.4783       141.4824 ?        ?        40.22308 8.627206 ? ? 
1 1 1 7   -11 14 o 112.9687 4.550710  2730.384       214.0114 2479.131       
313.8464 2948.750       292.5864 107.9739 6.923398 117.9634 5.907826 -9.989525 
9.101420 
1 1 1 7   -11 15 o 217.5075 8.948412  10313.80       808.3943 10695.88       
1245.659 10035.79       1062.538 220.3741 13.46355 214.6410 11.79106 5.733170 
17.89682 
1 1 1 7   -11 16 o 24.18620 6.913775  57.58237       108.2167 72.95383       
161.3392 45.01117       145.9052 25.23136 10.08719 23.14104 9.457785 2.090311 
13.82755 
1 1 1 7   -11 17 o 95.17780 4.716204  1947.556       186.7043 2112.817       
255.0421 1756.725       274.0623 99.68544 6.093982 90.67014 7.199564 9.015297 
9.432408 
1 1 1 7   -11 18 o 38.33353 7.099877  334.6158       121.1913 197.7392       
173.7221 464.3825       169.1500 31.20210 10.83063 45.46495 9.183164 -14.26284 
14.19975 
1 1 1 7   -11 19 o 125.6168 5.643136  3421.373       297.3100 3492.320       
431.8811 3357.464       409.8992 126.7844 8.113712 124.4493 7.845227 2.335022 
11.28627 
1 1 1 7   -11 20 o 72.81139 4.472317  1093.008       122.1429 1249.936       
239.3159 1037.730       142.0354 75.82718 7.517399 69.79559 4.847185 6.031586 
8.944634 
1 1 1 7   -11 21 o 31.69263 5.799060  258.9547       95.50459 -60.07952      
182.8986 378.5544       111.9842 21.56830 9.686582 41.81696 6.378600 -20.24866 
11.59812 
1 1 1 7   -11 22 o 36.67664 6.128459  332.3743       89.89011 233.6689       
166.0754 373.2732       106.9033 31.93054 10.60400 41.42275 6.147140 -9.492212 
12.25692 
1 1 1 7   -11 23 o 24.36610 6.618536  106.0640       88.44800 107.7221       
166.9272 105.4168       104.2914 25.74170 10.27107 22.99051 8.350155 2.751181 
13.23707 
1 1 1 7   -11 24 o 38.18731 6.424642  373.9594       94.05746 283.6801       
190.0248 403.2553       108.2480 33.66478 11.34284 42.70984 6.036885 -9.045055 
12.84928 
1 1 1 7   -11 25 o 25.46438 6.566471  147.1420       94.36462 10.26578       
186.5967 194.1766       109.3828 22.62976 9.997951 28.29900 8.515582 -5.669231 
13.13294 
1 1 1 7   -11 26 o 67.01903 4.219909  1016.197       114.1769 995.2870       
187.2570 1028.572       144.0524 65.80083 6.778409 68.23724 5.028289 -2.436409 
8.439817 
1 1 1 7   -11 27 o 49.87357 6.560449  599.7031       124.4870 744.7068       
228.9812 538.8637       148.3210 52.16969 10.81761 47.57747 7.425445 4.592220 
13.12090 
1 1 1 7   -11 28 o 49.34996 6.704643  680.4246       122.8340 556.7692       
219.1998 737.0300       148.3073 42.56974 11.84068 56.13017 6.293429 -13.56043 
13.40929 
1 1 1 7   -11 29 o 41.04277 7.154189  499.8547       116.3613 516.7042       
212.0008 492.5900       139.2037 38.79720 11.89175 43.28834 7.957137 -4.491135 
14.30838 
1 1 1 7   -10 0  o 212.3853 2.014587  9508.295       178.7094 9878.006       
243.6543 9077.843       262.9091 216.8763 2.675982 207.8942 3.012203 8.982010 
4.029175 
1 1 1 7   -10 1  o 170.1936 2.243226  6034.383       151.4156 5934.821       
185.0823 6235.873       263.2956 168.1059 2.622426 172.2813 3.640211 -4.175476 
4.486452 
1 1 1 7   -10 2  o 295.4596 5.133703  18376.19       614.7590 18338.16       
773.9913 18441.19       1011.843 295.1806 6.245531 295.7385 8.149415 
-0.5579224     10.26741 
1 1 1 7   -10 3  o 94.43240 2.830560  1875.043       112.1539 1939.406       
158.0621 1809.782       159.1628 96.06754 3.918971 92.79728 4.085332 3.270256 
5.661119 
1 1 1 7   -10 4  o 93.49852 2.945629  1812.570       114.5782 1663.062       
150.2132 2020.582       177.1820 88.95455 4.022175 98.04248 4.304535 -9.087929 
5.891257 
1 1 1 7   -10 5  o 128.8921 3.241211  3504.397       174.0132 3588.761       
233.5570 3399.133       260.8890 130.6562 4.257786 127.1279 4.888053 3.528313 
6.482422 
1 1 1 7   -10 6  o 143.5358 3.206226  4341.014       187.0224 4299.413       
304.8359 4366.125       236.8331 142.9500 5.079290 144.1216 3.914122 -1.171585 
6.412452 
1 1 1 7   -10 7  o 79.85722 2.938840  1329.527       98.05856 1172.038       
132.3400 1521.253       146.0183 74.65593 4.222288 85.05853 4.088938 -10.40260 
5.877681 
1 1 1 7   -10 8  o 225.8348 6.810913  10676.08       593.3079 11178.67       
1089.229 10464.05       707.4742 229.1187 11.32348 222.5509 7.571855 6.567810 
13.62183 
1 1 1 7   -10 9  o 70.27861 5.480791  1040.862       161.7132 0.000000       
0.000000 1040.862       161.7132 ?        ?        70.27861 5.480791 ? ? 
1 1 1 7   -10 10 o 185.2781 6.479885  7310.292       435.3766 7322.547       
502.6942 7273.503       870.9368 186.1837 6.431070 184.3725 11.25153 1.811234 
12.95977 
1 1 1 7   -10 11 o 92.56479 4.691587  1797.949       177.4928 1877.450       
288.5800 1749.574       225.1065 94.11999 7.303068 91.00959 5.891447 3.110397 
9.383174 
1 1 1 7   -10 12 o 48.53235 8.009398  501.1700       163.1962 501.1700       
163.1962 0.000000       0.000000 48.53235 8.009398 ?        ?        ? ? 
1 1 1 7   -10 13 o 78.75255 5.937574  1313.193       196.3146 0.000000       
0.000000 1313.193       196.3146 ?        ?        78.75255 5.937574 ? ? 
1 1 1 7   -10 14 o 79.70384 4.172736  1322.350       132.8746 1423.050       
229.4656 1271.550       162.9795 81.84162 6.678277 77.56607 5.004748 4.275551 
8.345471 
1 1 1 7   -10 15 o 28.47790 7.211002  150.9332       109.2183 144.0662       
163.1488 156.5097       147.0229 28.50432 10.43493 28.45149 9.955223 
0.5282974E-01  14.42200 
1 1 1 7   -10 16 o 128.0449 5.062072  3448.960       254.0369 3378.034       
306.9373 3603.200       452.6322 126.2828 5.789308 129.8069 8.305552 -3.524162 
10.12414 
1 1 1 7   -10 17 o 64.91356 4.993588  897.9872       135.9287 912.0324       
188.6199 882.8121       196.0605 65.46783 6.862471 64.35929 7.256044 1.108543 
9.987176 
1 1 1 7   -10 18 f 31.76210 7.539268  208.0675       118.9223 236.3942       
171.1468 181.6222       165.3653 33.24178 10.76174 30.28242 10.56159 2.959354 
15.07854 
1 1 1 7   -10 19 o 93.09538 4.783763  1870.768       184.6522 1743.108       
278.1245 1971.394       246.9259 90.06584 7.355297 96.12493 6.118593 -6.059090 
9.567527 
1 1 1 7   -10 20 o 115.3217 4.730393  2849.642       217.8999 2889.803       
370.8412 2828.465       269.2902 115.5242 7.646028 115.1192 5.571780 0.4050827 
9.460786 
1 1 1 7   -10 21 o 74.58016 4.423052  1240.094       125.7924 1087.139       
223.9576 1310.588       152.0416 70.68118 7.547153 78.47915 4.614547 -7.797974 
8.846105 
1 1 1 7   -10 22 o 35.67250 6.674225  310.4449       101.6343 217.7122       
174.0380 358.4358       125.2008 31.56238 10.85154 39.78262 7.773369 -8.220240 
13.34845 
1 1 1 7   -10 23 o 27.60015 6.620056  168.9958       87.61007 126.6177       
168.0655 184.8085       102.6621 26.84398 10.41541 28.35633 8.174332 -1.512354 
13.24011 
1 1 1 7   -10 24 o 24.45947 6.331653  124.2522       87.32490 -40.67508      
184.8974 171.6019       99.07026 21.70758 9.744485 27.21136 8.087294 -5.503775 
12.66331 
1 1 1 7   -10 25 o 20.54588 6.354606  15.02070       91.19077 7.505481       
186.8405 17.37069       104.4800 22.84837 10.05969 18.24338 7.767031 4.604990 
12.70921 
1 1 1 7   -10 26 o 52.79271 5.202579  657.6581       101.5001 617.3875       
182.5082 675.6909       122.1290 50.21472 8.981459 55.37070 5.253635 -5.155983 
10.40516 
1 1 1 7   -10 27 f 54.49876 4.850335  603.7759       102.5527 930.1942       
196.8528 482.1861       120.1442 62.93471 7.450275 46.06280 6.212601 16.87191 
9.700670 
1 1 1 7   -10 28 o 63.28202 4.699749  905.5958       121.0284 1054.660       
202.3582 822.5771       151.0158 66.62538 7.234393 59.93866 6.001177 6.686722 
9.399498 
1 1 1 7   -10 29 o 28.55919 7.398624  181.8278       110.7586 397.6451       
204.7763 92.58270       131.6827 35.30565 11.77489 21.81272 8.961617 13.49293 
14.79725 
1 1 1 7   -10 30 o 24.35755 6.921823  167.7920       110.1346 94.28391       
201.1777 199.2507       131.6079 22.68645 10.17464 26.02866 9.387402 -3.342211 
13.84365 
1 1 1 7   -9  0  o 181.3830 3.255587  7018.039       222.9318 7156.187       
264.3260 6677.638       414.9183 184.5724 3.411097 178.1935 5.546152 6.378906 
6.511174 
1 1 1 7   -9  1  o 151.6086 2.044912  4818.868       130.0376 5033.392       
188.9304 4625.758       179.2529 154.8087 2.906883 148.4085 2.876925 6.400223 
4.089824 
1 1 1 7   -9  2  o 162.2755 3.441253  5534.024       229.3709 5526.835       
295.1781 5544.980       364.4123 162.1670 4.335536 162.3841 5.345281 
-0.2171478     6.882507 
1 1 1 7   -9  3  o 235.2036 4.229906  11709.88       332.4681 11521.98       
744.9753 11756.61       371.5171 233.8564 7.587762 236.5508 3.740895 -2.694412 
8.459812 
1 1 1 7   -9  4  o 198.1815 4.013144  8297.903       331.1334 8570.668       
444.9688 7959.372       495.7177 201.8776 5.250038 194.4855 6.071112 7.392120 
8.026288 
1 1 1 7   -9  5  o 256.7106 4.941113  13841.10       531.6927 14930.64       
774.3741 12869.34       731.3253 266.2485 6.927631 247.1728 7.047433 19.07567 
9.882226 
1 1 1 7   -9  6  o 165.2704 4.039804  5747.357       280.2416 5577.125       
394.2156 5921.275       398.4614 162.7926 5.767934 167.7481 5.657828 -4.955521 
8.079609 
1 1 1 7   -9  7  o 182.4026 3.852580  7002.351       289.4638 7006.313       
374.8366 6996.498       455.6112 182.5102 4.891881 182.2950 5.953066 0.2152100 
7.705161 
1 1 1 7   -9  8  o 93.10356 2.817547  1820.675       109.2797 1809.211       
145.5392 1835.492       165.4599 92.77623 3.736494 93.43090 4.218163 
-0.6546707     5.635094 
1 1 1 7   -9  9  f 93.92940 2.912726  1850.966       114.5835 1795.733       
155.7867 1916.063       169.1249 92.41072 4.015403 95.44807 4.220477 -3.037354 
5.825451 
1 1 1 7   -9  10 o 169.0139 5.765948  6052.010       404.1750 6007.087       
620.5006 6085.115       532.6776 168.3583 8.778671 169.6695 7.477937 -1.311203 
11.53190 
1 1 1 7   -9  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -9  12 o 51.47479 4.839128  564.4578       103.5463 530.5253       
154.9604 591.8313       139.1805 50.03395 7.376955 52.91564 6.264918 -2.881691 
9.678257 
1 1 1 7   -9  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -9  14 o 30.45909 9.823406  194.7513       142.7012 0.000000       
0.000000 194.7513       142.7012 ?        ?        30.45909 9.823406 ? ? 
1 1 1 7   -9  15 o 63.09379 5.008645  849.3356       131.8947 823.1738       
195.6801 871.1172       178.5492 62.14980 7.499424 64.03778 6.641140 -1.887978 
10.01729 
1 1 1 7   -9  16 o 155.1824 6.125064  5028.446       365.5762 4842.565       
433.5112 5486.064       680.1965 150.9268 6.841557 159.4381 10.16163 -8.511230 
12.25013 
1 1 1 7   -9  17 o 193.4670 7.764411  7844.199       591.1623 7370.925       
711.4798 8899.490       1062.411 185.2954 9.145742 201.6385 12.54989 -16.34312 
15.52882 
1 1 1 7   -9  18 f 180.5607 6.475296  7084.059       461.6246 7236.009       
568.0172 6788.477       792.2307 184.2140 7.344462 176.9074 10.66662 7.306519 
12.95059 
1 1 1 7   -9  19 o 52.87049 5.836367  601.0192       128.8428 601.2529       
173.5097 600.7322       192.3687 52.94804 7.805396 52.79294 8.679199 0.1551056 
11.67273 
1 1 1 7   -9  20 o 77.46248 4.360991  1225.504       120.5050 1389.040       
254.5904 1178.286       136.7998 80.32343 7.549545 74.60152 4.367762 5.721916 
8.721983 
1 1 1 7   -9  21 o 40.49495 6.538086  356.7160       97.41009 405.6288       
195.3512 340.5295       112.3778 41.81987 10.98441 39.17002 7.094292 2.649849 
13.07617 
1 1 1 7   -9  22 o 62.97974 4.262635  877.1161       103.5707 786.8224       
182.0177 920.3491       125.9483 60.19706 7.202104 65.76242 4.561792 -5.565357 
8.525270 
1 1 1 7   -9  23 o 47.32948 5.978999  619.2282       93.27388 312.8735       
185.4581 722.9575       107.9156 36.43731 11.11316 58.22165 4.414899 -21.78434 
11.95800 
1 1 1 7   -9  24 o 46.56451 5.652942  476.6422       99.55370 533.4360       
181.9630 452.3797       118.9324 47.61163 9.438718 45.51738 6.223633 2.094250 
11.30588 
1 1 1 7   -9  25 o 81.36719 4.465560  1507.656       132.4102 1358.206       
253.9406 1563.460       155.1745 77.45692 7.808956 85.27746 4.334181 -7.820534 
8.931121 
1 1 1 7   -9  26 o 45.26935 6.072130  533.3641       102.7494 362.6512       
178.1171 618.5054       125.7889 37.57317 10.74634 52.96553 5.656788 -15.39236 
12.14426 
1 1 1 7   -9  27 o 73.81034 4.261027  1251.177       122.1918 1131.633       
211.0672 1311.439       149.8584 70.11077 7.170627 77.50991 4.605161 -7.399139 
8.522054 
1 1 1 7   -9  28 o 48.76093 6.163222  694.8558       107.0416 347.0315       
188.3560 860.7728       130.0903 35.17761 11.28002 62.34425 4.970149 -27.16664 
12.32644 
1 1 1 7   -9  29 o 21.52381 6.541474  40.32005       87.21661 149.7721       
193.6922 12.48402       97.67956 26.06395 10.80583 16.98368 7.375474 9.080275 
13.08295 
1 1 1 7   -9  30 o 30.53777 6.849656  285.8353       104.3494 165.8383       
200.8015 330.2293       122.1360 25.74904 10.85611 35.32649 8.355601 -9.577452 
13.69931 
1 1 1 7   -9  31 o 35.69953 7.355998  417.9893       114.1444 404.5211       
223.1362 422.7628       132.8410 32.20676 12.13043 39.19230 8.324394 -6.985531 
14.71200 
1 1 1 7   -8  0  o 596.5198 5.394134  74982.91       1304.192 75102.23       
1643.590 74780.02       2143.053 597.4165 6.552958 595.6231 8.570031 1.793396 
10.78827 
1 1 1 7   -8  1  o 399.2264 4.311219  33172.06       565.8839 32958.36       
627.4771 34103.04       1309.704 396.0793 3.773434 402.3734 7.752912 -6.294098 
8.622438 
1 1 1 7   -8  2  o 141.3077 2.980382  4198.653       171.4886 4184.687       
278.5934 4207.173       217.5985 141.1006 4.702869 141.5149 3.662476 
-0.4142303     5.960764 
1 1 1 7   -8  3  o 552.6812 11.42913  65077.96       2631.198 65404.60       
3980.571 64824.48       3506.502 553.3911 17.13304 551.9713 15.13139 1.419739 
22.85825 
1 1 1 7   -8  4  o 59.98280 2.913956  756.4775       73.33879 780.8877       
103.2519 731.6227       104.1878 60.96122 4.034275 59.00437 4.205852 1.956852 
5.827912 
1 1 1 7   -8  5  o 221.8008 3.649989  10309.78       333.5074 10522.09       
527.5035 10168.41       430.4571 223.6622 5.617639 219.9394 4.661739 3.722809 
7.299978 
1 1 1 7   -8  6  o 352.4454 4.492105  26203.80       646.7175 25893.10       
1039.571 26399.96       826.0140 350.6253 7.062073 354.2655 5.553664 -3.640259 
8.984211 
1 1 1 7   -8  7  o 323.2570 5.652104  22229.31       599.0674 21726.57       
1373.083 22347.51       665.7753 320.5125 10.20405 326.0014 4.864400 -5.488861 
11.30421 
1 1 1 7   -8  8  o 147.2809 3.792655  4563.794       234.5043 4576.609       
333.3428 4551.238       329.9615 147.4843 5.383520 147.0774 5.343653 0.4068756 
7.585310 
1 1 1 7   -8  9  o 159.2008 3.959115  5101.525       249.9439 6042.292       
446.7145 4672.792       301.5661 169.3588 6.282659 149.0428 4.819394 20.31593 
7.918230 
1 1 1 7   -8  10 o 63.07710 3.121008  835.2192       82.33275 855.1826       
122.5294 818.7859       111.1699 63.75813 4.577473 62.39606 4.243762 1.362068 
6.242017 
1 1 1 7   -8  11 o 105.0523 4.346454  2284.534       188.7518 2100.204       
242.8108 2566.028       300.0568 99.82211 5.793783 110.2825 6.480643 -10.46034 
8.692908 
1 1 1 7   -8  12 o 167.6169 10.17210  5985.570       715.8260 0.000000       
0.000000 5985.570       715.8260 ?        ?        167.6169 10.17210 ? ? 
1 1 1 7   -8  13 o 123.6155 8.170638  3244.774       424.0409 3244.774       
424.0409 0.000000       0.000000 123.6155 8.170638 ?        ?        ? ? 
1 1 1 7   -8  14 o 31.71363 10.08051  212.5233       150.6687 0.000000       
0.000000 212.5233       150.6687 ?        ?        31.71363 10.08051 ? ? 
1 1 1 7   -8  15 o 86.92050 4.273648  1600.695       155.8625 1619.949       
217.5135 1580.374       223.4521 87.47317 5.922874 86.36783 6.162452 1.105339 
8.547296 
1 1 1 7   -8  16 o 174.7719 7.018147  6434.618       491.7448 6102.203       
604.3434 7085.918       845.9295 168.8404 8.525671 180.7034 11.15036 -11.86307 
14.03629 
1 1 1 7   -8  17 o 171.9418 6.610675  6352.074       475.0641 6341.644       
642.1964 6364.680       706.0131 171.9748 8.894552 171.9088 9.782181 
0.6600952E-01  13.22135 
1 1 1 7   -8  18 o 55.96595 5.282184  667.5847       124.0493 641.0295       
174.8986 694.4662       175.9707 54.83142 7.597627 57.10048 7.340433 -2.269058 
10.56437 
1 1 1 7   -8  19 o 63.95283 4.939589  863.1373       132.0140 962.7751       
198.3548 783.9084       176.8775 67.23047 7.027450 60.67518 6.943567 6.555286 
9.879178 
1 1 1 7   -8  20 o 171.9900 6.350458  6370.482       413.3326 6447.606       
775.1459 6339.841       488.5907 171.6358 10.75713 172.3442 6.752578 
-0.7083740     12.70092 
1 1 1 7   -8  21 o 28.84994 6.744531  150.5042       89.36283 256.0625       
165.2457 106.8737       106.2377 33.96269 10.51699 23.73718 8.446753 10.22551 
13.48906 
1 1 1 7   -8  22 o 143.6319 4.958302  4436.292       293.2408 4529.995       
463.9445 4373.955       378.4145 144.5219 7.646339 142.7420 6.314472 1.779831 
9.916605 
1 1 1 7   -8  23 o 67.46378 4.076392  955.7416       108.1186 1039.363       
193.1007 917.5551       130.4906 69.32007 6.635076 65.60750 4.737472 3.712570 
8.152783 
1 1 1 7   -8  24 o 59.93548 4.790105  763.5641       108.8209 832.8407       
207.0329 737.1180       127.9165 61.29496 8.045178 58.57599 5.201493 2.718971 
9.580210 
1 1 1 7   -8  25 o 53.22580 5.760933  658.4330       107.8519 614.9259       
209.1271 674.1977       125.8842 50.65330 10.19201 55.79829 5.373674 -5.144997 
11.52187 
1 1 1 7   -8  26 o 31.11896 6.895806  230.4085       95.69900 228.3314       
174.6906 231.2991       114.3909 31.08757 10.85407 31.15034 8.508690 
-0.6277466E-01 13.79161 
1 1 1 7   -8  27 f 50.08302 5.312838  586.4274       101.7873 561.0874       
173.7871 599.6592       125.5816 48.11599 8.937523 52.05006 5.746797 -3.934074 
10.62568 
1 1 1 7   -8  28 o 108.6570 4.741537  2725.972       204.1846 2595.219       
344.4336 2796.821       253.5384 105.0474 7.809826 112.2667 5.379154 -7.219276 
9.483073 
1 1 1 7   -8  29 f 33.12170 6.886705  271.9096       90.03005 329.1927       
194.7316 256.3367       101.5329 33.95647 11.48246 32.28694 7.606566 1.669533 
13.77341 
1 1 1 7   -8  30 o 20.16973 6.400124  -4.600617      92.53109 110.9116       
199.4394 -36.28555      104.4536 24.71774 10.63352 15.62172 7.125623 9.096019 
12.80025 
1 1 1 7   -8  31 o 27.39985 7.131928  213.0105       99.18944 229.8352       
209.8421 208.1698       112.5578 27.39376 11.29343 27.40595 8.712976 
-0.1218605E-01 14.26386 
1 1 1 7   -8  32 o 22.19043 6.673729  117.6462       104.2406 115.6529       
190.1086 118.5032       124.6497 22.68352 10.04765 21.69734 8.786316 0.9861870 
13.34746 
1 1 1 7   -7  0  f 368.2209 5.702988  29175.26       672.1941 29521.34       
743.1418 27618.00       1576.404 374.7828 4.722948 361.6589 10.38220 13.12384 
11.40598 
1 1 1 7   -7  1  o 426.6176 6.847614  38467.48       1222.913 37436.98       
1784.853 39379.29       1678.925 421.1285 10.09506 432.1068 9.254677 -10.97821 
13.69523 
1 1 1 7   -7  2  o 227.5082 4.102547  10893.77       372.7142 10859.17       
633.3488 10912.10       460.9888 227.1659 6.640808 227.8506 4.819049 
-0.6846771     8.205093 
1 1 1 7   -7  3  o 416.9090 8.477036  36734.01       1470.768 36420.76       
1951.292 37146.10       2238.024 415.0676 11.19759 418.7504 12.73007 -3.682739 
16.95407 
1 1 1 7   -7  4  o 516.4377 10.10559  56744.49       2148.251 57159.50       
2783.707 56133.38       3377.972 519.3840 12.76603 513.4915 15.66909 5.892456 
20.21119 
1 1 1 7   -7  5  o 58.95705 2.806669  731.3247       69.30213 670.5357       
97.77316 792.7014       98.24458 56.48941 4.122623 61.42468 3.809665 -4.935276 
5.613338 
1 1 1 7   -7  6  o 203.2939 4.536759  8702.600       386.7627 8585.567       
558.4655 8810.465       536.1470 201.9659 6.586268 204.6220 6.240979 -2.656082 
9.073519 
1 1 1 7   -7  7  o 157.4146 3.341338  5185.540       219.5040 5416.620       
331.8576 5005.808       292.6730 160.5083 4.924649 154.3209 4.517301 6.187439 
6.682677 
1 1 1 7   -7  8  f 179.1757 4.429957  6753.146       333.0734 6621.799       
462.2609 6894.961       480.3324 177.3694 6.207681 180.9819 6.321613 -3.612411 
8.859915 
1 1 1 7   -7  9  o 136.6132 3.560607  3926.983       204.1315 3853.644       
291.1626 3997.878       286.2705 135.3535 5.123740 137.8728 4.945601 -2.519318 
7.121213 
1 1 1 7   -7  10 o 204.7328 4.537923  8860.122       387.7627 9139.606       
525.7455 8526.732       574.2129 208.3303 6.010963 201.1353 6.799948 7.194992 
9.075846 
1 1 1 7   -7  11 o 252.0912 4.533007  13300.82       421.3663 13198.28       
489.3304 13594.96       828.7728 250.4719 4.653334 253.7106 7.780688 -3.238678 
9.066014 
1 1 1 7   -7  12 o 43.17039 5.752225  407.1167       100.6127 364.9233       
152.1363 439.9151       134.1337 40.69551 9.130183 45.64527 6.999439 -4.949760 
11.50445 
1 1 1 7   -7  13 o 131.8807 6.785943  3675.083       375.7253 3675.083       
375.7253 0.000000       0.000000 131.8807 6.785943 ?        ?        ? ? 
1 1 1 7   -7  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -7  15 o 56.66542 4.940123  680.4226       117.4133 639.7522       
163.8487 723.3518       168.3374 54.91620 7.106628 58.41463 6.864042 -3.498436 
9.880245 
1 1 1 7   -7  16 o 61.29703 4.504266  796.3334       115.1080 794.1564       
153.9024 799.0974       173.4132 61.23748 5.986172 61.35657 6.731969 
-0.1190910     9.008533 
1 1 1 7   -7  17 o 74.53564 4.304902  1173.084       133.2733 953.2133       
182.1758 1426.243       195.4806 67.00360 6.476102 82.06768 5.673519 -15.06408 
8.609803 
1 1 1 7   -7  18 o 198.2312 6.817872  8440.788       530.9839 8412.856       
646.0637 8498.928       932.0950 198.5871 7.748994 197.8753 11.21992 0.7118530 
13.63574 
1 1 1 7   -7  19 o 166.7473 6.605233  6000.578       443.8588 5885.632       
734.6212 6066.665       557.0293 164.9194 10.60994 168.5752 7.870556 -3.655807 
13.21047 
1 1 1 7   -7  20 o 44.10295 6.157029  507.0105       101.1733 242.0422       
181.9327 625.6375       121.7322 33.84976 11.09870 54.35614 5.334304 -20.50639 
12.31406 
1 1 1 7   -7  21 o 149.3371 4.857425  4757.152       276.7833 4789.927       
512.2339 4743.636       328.9388 149.1403 8.180775 149.5338 5.239583 
-0.3935242     9.714849 
1 1 1 7   -7  22 o 171.8792 5.495623  6576.986       370.7238 5790.813       
627.1260 6999.298       459.6336 162.7706 9.176984 180.9877 6.049003 -18.21712 
10.99125 
1 1 1 7   -7  23 o 127.0407 4.388349  3511.052       221.6856 3315.198       
373.6126 3617.475       275.4065 123.7844 7.189136 130.2969 5.034554 -6.512558 
8.776697 
1 1 1 7   -7  24 o 65.11209 4.499068  935.6448       111.1032 868.3259       
202.8213 964.5057       132.8007 62.97993 7.670654 67.24425 4.703988 -4.264317 
8.998136 
1 1 1 7   -7  25 o 105.8523 4.900281  2475.580       196.5818 2406.047       
363.0546 2504.422       233.8249 103.7936 8.331485 107.9111 5.161141 -4.117500 
9.800562 
1 1 1 7   -7  26 o 125.2088 4.588188  3485.289       237.6381 3209.746       
358.6820 3700.864       317.2593 120.1681 7.109541 130.2496 5.801750 -10.08152 
9.176376 
1 1 1 7   -7  27 o 85.85871 3.788990  1584.047       130.7605 1706.778       
222.4260 1519.229       161.6431 87.90623 6.026803 83.81120 4.593844 4.095032 
7.577979 
1 1 1 7   -7  28 o 20.28648 6.247636  16.81849       91.02288 30.80716       
171.3319 11.31771       107.4391 22.50359 9.770247 18.06937 7.789358 4.434212 
12.49527 
1 1 1 7   -7  29 o 33.27818 6.937541  281.0659       92.83058 288.8654       
202.6871 278.9955       104.4269 32.58255 11.65981 33.97382 7.521089 -1.391270 
13.87508 
1 1 1 7   -7  30 o 22.89488 6.594465  100.8679       96.57651 2.436378       
198.5820 131.3608       110.5279 22.10837 10.00225 23.68139 8.596676 -1.573017 
13.18893 
1 1 1 7   -7  31 o 76.13693 4.516530  1310.922       127.0233 1480.459       
251.0113 1252.562       147.2724 77.42309 7.722250 74.85077 4.686472 2.572319 
9.033059 
1 1 1 7   -7  32 o 25.34282 7.053739  160.1074       90.96127 263.1357       
217.0532 138.1586       100.1829 27.83977 11.48302 22.84587 8.195196 4.993900 
14.10748 
1 1 1 7   -6  0  o 479.0549 3.910087  48199.26       761.2358 48038.97       
961.7863 48468.07       1245.491 478.0869 4.791735 480.0228 6.180161 -1.935883 
7.820174 
1 1 1 7   -6  1  o 106.2642 2.272956  2371.687       101.3864 2432.192       
143.8753 2312.003       142.8938 107.6110 3.184569 104.9174 3.244045 2.693611 
4.545911 
1 1 1 7   -6  2  o 30.51398 4.269866  201.7282       52.46642 211.2422       
79.22233 194.2953       70.02367 31.13393 6.281016 29.89403 5.785831 1.239899 
8.539731 
1 1 1 7   -6  3  o 385.6337 7.273390  31439.84       1169.044 31036.75       
1756.273 31760.53       1566.507 383.2719 10.91455 387.9954 9.616720 -4.723480 
14.54678 
1 1 1 7   -6  4  o 501.5613 10.60759  53463.75       2231.375 53506.64       
3229.885 53424.59       3086.293 501.6141 15.33693 501.5085 14.65818 0.1056519 
21.21517 
1 1 1 7   -6  5  o 364.0834 7.193382  27976.08       1098.931 28359.47       
1585.030 27621.20       1524.957 366.4571 10.30233 361.7097 10.04196 4.747437 
14.38676 
1 1 1 7   -6  6  o 372.8388 8.102317  29401.82       1268.213 29640.66       
1803.303 29168.10       1783.902 374.3328 11.47445 371.3448 11.44234 2.987976 
16.20463 
1 1 1 7   -6  7  o 447.7832 9.700827  42567.51       1823.336 42807.32       
2608.137 42338.27       2550.017 448.9729 13.83666 446.5935 13.60040 2.379456 
19.40165 
1 1 1 7   -6  8  o 355.3110 7.999769  26699.21       1191.785 27071.27       
1735.319 26367.06       1639.625 357.5891 11.55889 353.0330 11.06242 4.556061 
15.99954 
1 1 1 7   -6  9  o 151.2827 3.813779  4816.596       242.0702 4718.111       
346.3659 4910.631       338.4492 149.7637 5.508707 152.8018 5.275773 -3.038147 
7.627557 
1 1 1 7   -6  10 o 65.77177 3.254165  914.6401       89.27243 853.7469       
131.2127 967.1199       121.8114 63.71499 4.905182 67.82856 4.277565 -4.113567 
6.508331 
1 1 1 7   -6  11 o 170.6307 3.158805  6054.553       207.9298 5953.445       
248.0307 6293.631       381.4008 168.3169 3.509933 172.9445 5.252862 -4.627609 
6.317609 
1 1 1 7   -6  12 o 178.0093 5.820888  6686.271       386.3488 6673.457       
452.2195 6720.900       743.3845 177.9715 6.052290 178.0471 9.944884 
-0.7553101E-01 11.64178 
1 1 1 7   -6  13 o 36.98214 6.948639  307.2082       116.3281 157.1935       
175.0513 425.8491       155.6739 29.87193 10.82123 44.09235 8.719819 -14.22041 
13.89728 
1 1 1 7   -6  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -6  15 o 72.82188 5.976592  1120.240       182.7235 0.000000       
0.000000 1120.240       182.7235 ?        ?        72.82188 5.976592 ? ? 
1 1 1 7   -6  16 o 127.1774 4.556472  3304.750       229.4516 3083.255       
277.2323 3786.429       408.8275 120.8081 5.465991 133.5467 7.291687 -12.73861 
9.112945 
1 1 1 7   -6  17 o 39.96710 6.413349  344.8862       110.7099 513.5560       
162.1855 197.7185       151.4955 49.08047 7.870901 30.85373 10.12784 18.22675 
12.82670 
1 1 1 7   -6  18 o 103.6959 5.149364  2276.484       223.4591 2467.680       
332.6114 2119.189       301.6851 107.6246 7.361169 99.76717 7.202567 7.857399 
10.29873 
1 1 1 7   -6  19 o 113.1288 4.559352  2663.393       199.6694 2854.773       
366.1993 2582.425       238.1909 115.7345 7.536604 110.5231 5.133259 5.211433 
9.118704 
1 1 1 7   -6  20 o 35.32256 6.555086  252.3250       92.66510 359.5950       
169.6848 206.7393       110.6160 40.05330 10.08892 30.59183 8.371992 9.461470 
13.11017 
1 1 1 7   -6  21 o 83.15193 4.269455  1470.728       140.7896 1461.124       
242.2118 1475.628       173.0212 82.78698 6.968741 83.51688 4.934534 
-0.7299042     8.538910 
1 1 1 7   -6  22 o 236.6203 8.348427  12165.09       746.1856 13041.25       
1418.433 11829.84       877.4056 239.6589 14.09731 233.5818 8.947105 6.077118 
16.69685 
1 1 1 7   -6  23 o 34.61567 6.816552  294.5866       104.0346 141.4318       
197.9078 353.0684       122.2947 29.41871 11.32545 39.81262 7.589176 -10.39391 
13.63310 
1 1 1 7   -6  24 o 41.80143 6.621330  409.2525       105.3115 351.3908       
200.2397 431.3764       123.8187 38.87619 11.48429 44.72666 6.593879 -5.850464 
13.24266 
1 1 1 7   -6  25 o 70.99217 4.631272  1080.391       121.5222 1120.650       
237.8715 1066.173       141.3614 71.33793 7.942240 70.64642 4.766085 0.6915054 
9.262545 
1 1 1 7   -6  26 o 54.69714 4.744753  658.7440       102.2729 647.1709       
176.9352 664.5509       125.3315 53.91842 7.816242 55.47586 5.381179 -1.557442 
9.489506 
1 1 1 7   -6  27 f 42.33132 5.665496  446.0441       93.05640 294.3901       
149.3083 542.3691       118.9945 34.82383 9.800503 49.83881 5.686961 -15.01498 
11.33099 
1 1 1 7   -6  28 f 69.53175 4.409639  1115.256       121.6461 922.1505       
196.0733 1236.097       155.1061 63.70413 7.331146 75.35938 4.902443 -11.65524 
8.819278 
1 1 1 7   -6  29 o 56.94915 4.956385  723.8911       99.69382 777.6178       
208.1696 707.9017       113.5638 57.00449 8.698198 56.89381 4.754404 0.1106796 
9.912770 
1 1 1 7   -6  30 o 47.96963 6.616847  644.2258       110.0558 457.6414       
219.5194 706.8694       127.1962 39.67864 12.08850 56.26062 5.385060 -16.58198 
13.23369 
1 1 1 7   -6  31 o 18.42473 6.065162  -43.33953      96.25023 -50.46416      
204.0274 -41.30007      109.1605 20.96952 9.719044 15.87994 7.258440 5.089581 
12.13032 
1 1 1 7   -6  32 o 19.39160 6.261412  8.009019       89.02288 33.41454       
213.6380 2.670701       97.93020 22.45562 10.22876 16.32757 7.224514 6.128050 
12.52282 
1 1 1 7   -6  33 o 46.21193 6.904206  600.5760       105.5611 687.6905       
242.0003 580.1055       117.3098 43.06147 12.59485 49.36239 5.660556 -6.300919 
13.80841 
1 1 1 7   -5  0  o 436.1778 6.663074  40138.89       906.3638 40146.83       
992.3377 40098.93       2226.130 436.9865 5.408945 435.3692 12.17906 1.617249 
13.32615 
1 1 1 7   -5  1  o 147.6911 2.714771  4590.035       161.1367 4555.977       
269.7746 4608.925       200.9144 147.2478 4.363886 148.1345 3.230546 
-0.8867035     5.429542 
1 1 1 7   -5  2  o 208.1925 3.599568  9058.992       296.0251 9264.685       
517.5858 8959.000       360.8745 209.8915 5.873656 206.4935 4.162659 3.398041 
7.199136 
1 1 1 7   -5  3  o 189.1101 3.398863  7488.045       264.8396 7662.359       
418.9034 7371.979       341.8220 190.9153 5.226298 187.3048 4.346825 3.610519 
6.797726 
1 1 1 7   -5  4  o 380.1114 6.275873  30621.51       953.1742 29920.77       
1608.931 31000.45       1183.150 376.4895 10.17901 383.7332 7.343982 -7.243652 
12.55175 
1 1 1 7   -5  5  o 205.5421 3.278544  8946.672       280.7565 9755.054       
386.5312 8043.894       408.4765 215.4634 4.272992 195.6208 4.973626 19.84264 
6.557089 
1 1 1 7   -5  6  o 159.2733 2.581370  5300.569       168.2979 5203.852       
214.3660 5455.968       271.7225 157.4020 3.243895 161.1445 4.016346 -3.742523 
5.162741 
1 1 1 7   -5  7  o 481.8878 10.26888  49167.19       2052.978 48247.95       
2692.633 50443.50       3172.800 476.9395 13.44730 486.8361 15.52319 -9.896576 
20.53775 
1 1 1 7   -5  8  o 383.7159 6.478398  31626.16       822.2941 31989.39       
917.8325 30148.84       1851.020 390.0033 5.605525 377.4286 11.68147 12.57471 
12.95680 
1 1 1 7   -5  9  o 271.5121 5.004744  15515.56       559.9655 15480.14       
725.2477 15567.83       881.1443 271.2103 6.369440 271.8140 7.721404 
-0.6036987     10.00949 
1 1 1 7   -5  10 o 137.6433 3.570822  3983.184       206.3284 4045.554       
294.2449 3922.850       289.4004 138.7030 5.052942 136.5836 5.046865 2.119385 
7.141644 
1 1 1 7   -5  11 o 300.9600 5.693501  19099.46       676.0708 19131.56       
1178.315 19083.71       825.4600 300.8954 9.327534 301.0246 6.531532 
-0.1291504     11.38700 
1 1 1 7   -5  12 o 89.03876 3.178248  1667.170       118.7873 1668.916       
166.4902 1665.361       169.5324 89.08773 4.451350 88.98978 4.537679 
0.9794617E-01  6.356496 
1 1 1 7   -5  13 f 153.7510 5.442231  4978.303       329.4223 5033.024       
577.8403 4951.955       400.9617 154.2156 8.924843 153.2864 6.230464 0.9292450 
10.88446 
1 1 1 7   -5  14 o 139.0880 9.007261  4101.230       525.9705 4101.230       
525.9705 0.000000       0.000000 139.0880 9.007261 ?        ?        ? ? 
1 1 1 7   -5  15 o 119.7623 5.417219  3039.241       272.0807 2988.067       
392.1076 3086.760       377.8489 118.7615 7.864130 120.7631 7.452550 -2.001656 
10.83444 
1 1 1 7   -5  16 o 39.34812 6.182027  353.0608       101.7797 447.6542       
134.9100 228.0986       155.0611 45.97476 6.989492 32.72148 10.19886 13.25328 
12.36405 
1 1 1 7   -5  17 o 50.40645 8.190003  541.2940       173.3202 541.2940       
173.3202 0.000000       0.000000 50.40645 8.190003 ?        ?        ? ? 
1 1 1 7   -5  18 o 119.1982 5.143004  3022.792       257.0438 3010.973       
354.3576 3035.917       373.4207 118.9918 7.093260 119.4047 7.449002 
-0.4129105     10.28601 
1 1 1 7   -5  19 o 111.8862 4.360887  2678.632       190.2493 2591.300       
335.8151 2719.909       230.8735 110.3098 7.251158 113.4627 4.846654 -3.152954 
8.721774 
1 1 1 7   -5  20 o 91.14204 4.401082  1856.707       158.7924 1399.240       
250.3439 2164.661       205.3998 81.05446 7.356669 101.2296 4.832962 -20.17518 
8.802164 
1 1 1 7   -5  21 o 81.95067 3.921213  1418.663       130.7509 1436.472       
213.5304 1407.979       165.3812 82.27448 6.181810 81.62686 4.825854 0.6476212 
7.842425 
1 1 1 7   -5  22 o 156.4653 5.477817  5236.810       330.6488 5266.334       
600.1041 5223.939       396.2169 156.1539 9.153662 156.7767 6.019666 
-0.6228790     10.95563 
1 1 1 7   -5  23 o 40.10696 6.490382  367.4511       103.3119 341.7039       
174.9098 381.2467       128.0320 38.74620 10.49387 41.46772 7.640615 -2.721523 
12.98076 
1 1 1 7   -5  24 o 42.49898 6.396829  439.7209       106.3213 299.0402       
184.9608 509.1468       129.9340 36.28814 11.10442 48.70981 6.353711 -12.42167 
12.79366 
1 1 1 7   -5  25 o 44.15712 6.265388  511.3692       108.3752 234.4456       
182.6596 661.8141       134.6330 32.78208 11.12085 55.53217 5.774679 -22.75009 
12.53078 
1 1 1 7   -5  26 f 80.05005 4.265556  1404.319       138.3482 1311.582       
222.8137 1462.506       176.4920 77.52844 6.845448 82.57166 5.091140 -5.043221 
8.531112 
1 1 1 7   -5  27 o 111.7944 4.070807  2792.995       183.3814 2390.626       
290.3675 3059.964       236.5186 104.2766 6.632579 119.3122 4.721734 -15.03568 
8.141613 
1 1 1 7   -5  28 o 29.94879 6.429686  220.3753       87.96902 156.8080       
156.1214 249.9459       106.4820 27.32045 10.17484 32.57713 7.863588 -5.256685 
12.85937 
1 1 1 7   -5  29 o 58.24919 4.774637  777.6893       105.2170 733.0064       
192.2137 796.8066       125.7262 56.09776 8.161310 60.40063 4.957987 -4.302868 
9.549273 
1 1 1 7   -5  30 o 28.40292 6.918740  205.6337       97.60174 111.9866       
206.6628 232.5173       110.7285 26.15009 11.01873 30.65576 8.370386 -4.505667 
13.83748 
1 1 1 7   -5  31 f 46.33084 6.274036  501.3772       98.84785 614.4921       
216.5656 471.6104       111.0953 47.03223 11.12757 45.62945 5.799245 1.402782 
12.54807 
1 1 1 7   -5  32 o 90.80190 4.781619  1958.385       153.0899 1921.560       
310.3463 1970.228       175.9924 87.30141 8.467327 94.30238 4.445210 -7.000977 
9.563238 
1 1 1 7   -5  33 o 33.48709 6.014206  384.8382       96.59056 70.06744       
228.6234 453.2314       106.5687 23.11848 10.54430 43.85571 5.787949 -20.73723 
12.02841 
1 1 1 7   -4  0  o 267.0369 5.161699  14999.19       569.6967 15074.14       
888.2979 14946.83       742.5071 267.5391 7.908470 266.5348 6.635410 1.004303 
10.32340 
1 1 1 7   -4  1  o 158.9045 2.152569  5243.783       141.6339 5649.408       
222.5793 4967.783       183.6022 164.0057 3.232562 153.8032 2.843370 10.20245 
4.305138 
1 1 1 7   -4  2  o 418.8940 6.863478  37013.87       1206.672 36933.50       
1684.540 37098.57       1729.324 418.4517 9.588640 419.3363 9.822794 
-0.8846436     13.72696 
1 1 1 7   -4  3  o 270.6321 5.056961  15474.05       549.3474 15216.08       
919.8068 15617.09       684.9197 268.7637 8.151678 272.5005 5.986781 -3.736816 
10.11392 
1 1 1 7   -4  4  o 128.9854 2.752359  3493.940       147.6187 3485.826       
195.5785 3504.683       225.0361 128.8185 3.616296 129.1523 4.150220 
-0.3338013     5.504718 
1 1 1 7   -4  5  o 307.5937 5.581097  19560.82       627.7021 20676.00       
1260.957 19193.43       723.7487 313.0711 9.593523 302.1163 5.706038 10.95483 
11.16219 
1 1 1 7   -4  6  o 317.0184 4.758543  21310.75       553.1933 20815.01       
1085.191 21484.80       643.0138 314.3163 8.223570 319.7205 4.790390 -5.404175 
9.517087 
1 1 1 7   -4  7  o 275.0226 6.211133  15944.15       717.1219 15806.44       
1007.555 16085.54       1020.904 273.8217 8.764396 276.2234 8.803298 -2.401672 
12.42227 
1 1 1 7   -4  8  o 479.1786 10.12450  48750.57       2018.436 48651.52       
2680.077 48880.36       3068.109 478.9882 13.32734 479.3690 15.24481 
-0.3808899     20.24900 
1 1 1 7   -4  9  o 100.1166 2.826133  2080.848       117.3197 2261.344       
183.6383 1956.376       152.4978 103.7355 4.216546 96.49777 3.764155 7.237740 
5.652267 
1 1 1 7   -4  10 o 258.2441 5.054139  13836.69       505.5999 13517.29       
604.2173 14582.71       923.4165 253.5001 5.677226 262.9881 8.363396 -9.488007 
10.10828 
1 1 1 7   -4  11 o 95.98881 2.919481  1956.607       116.3840 1677.902       
168.0694 2213.381       161.3214 89.34280 4.480744 102.6348 3.743850 -13.29201 
5.838963 
1 1 1 7   -4  12 o 72.99570 3.155104  1111.844       96.04922 1190.339       
146.2212 1052.269       127.3865 75.24062 4.628914 70.75077 4.288577 4.489845 
6.310209 
1 1 1 7   -4  13 o 91.86827 4.441043  1769.734       170.5423 1861.428       
255.6992 1696.262       228.8884 93.99158 6.479800 89.74497 6.074837 4.246605 
8.882086 
1 1 1 7   -4  14 o 127.1550 8.245070  3418.297       440.1563 3418.297       
440.1563 0.000000       0.000000 127.1550 8.245070 ?        ?        ? ? 
1 1 1 7   -4  15 o 129.9598 6.269615  3563.140       342.0809 0.000000       
0.000000 3563.140       342.0809 ?        ?        129.9598 6.269615 ? ? 
1 1 1 7   -4  16 f 89.74605 4.464102  1662.772       165.1874 1902.360       
265.5364 1511.518       210.9818 94.86852 6.666885 84.62357 5.938472 10.24495 
8.928204 
1 1 1 7   -4  17 o 138.0456 5.109368  4055.538       282.8634 4092.989       
352.4325 3987.738       474.1946 139.1516 6.032661 136.9395 8.248004 2.212021 
10.21874 
1 1 1 7   -4  18 o 98.53646 6.637764  2059.072       274.5982 0.000000       
0.000000 2059.072       274.5982 ?        ?        98.53646 6.637764 ? ? 
1 1 1 7   -4  19 o 241.8664 7.524349  12686.57       751.0740 12448.17       
1167.574 12854.86       980.9841 239.2357 11.62464 244.4971 9.556730 -5.261353 
15.04870 
1 1 1 7   -4  20 o 30.00195 7.110331  178.9222       98.37426 188.0528       
185.6524 175.3577       115.9978 31.42626 11.16776 28.57764 8.803879 2.848618 
14.22066 
1 1 1 7   -4  21 o 132.9804 4.930230  3626.082       255.1175 4122.218       
469.3231 3417.994       303.9453 138.9167 8.047081 127.0440 5.698523 11.87274 
9.860460 
1 1 1 7   -4  22 o 148.4397 5.489620  4668.494       315.5246 4813.410       
572.7023 4605.336       378.0798 149.5814 9.119529 147.2981 6.113748 2.283325 
10.97924 
1 1 1 7   -4  23 o 121.3246 4.530451  3208.535       213.4152 2942.907       
373.7664 3337.028       259.9580 117.1390 7.600106 125.5101 4.933391 -8.371094 
9.060903 
1 1 1 7   -4  24 o 116.0195 4.865313  2823.318       202.4564 3020.811       
418.3050 2762.905       231.3596 117.9525 8.447084 114.0865 4.830303 3.866028 
9.730625 
1 1 1 7   -4  25 o 64.76915 4.574152  960.6661       112.9177 745.1855       
193.3454 1072.206       139.1059 58.52351 7.869092 71.01478 4.665709 -12.49126 
9.148303 
1 1 1 7   -4  26 o 39.57199 6.397593  333.9023       98.79817 452.3647       
176.6408 279.9717       119.1841 44.13759 9.790883 35.00639 8.237438 9.131207 
12.79519 
1 1 1 7   -4  27 o 50.86051 5.131123  594.9496       101.7982 490.7915       
159.7096 666.2224       132.1134 46.20436 8.554839 55.51667 5.668191 -9.312305 
10.26225 
1 1 1 7   -4  28 o 32.66641 6.769134  246.0333       94.81763 287.7434       
163.6040 224.9380       116.3503 34.44123 10.42465 30.89159 8.637783 3.549633 
13.53827 
1 1 1 7   -4  29 f 56.93735 5.126825  699.7997       107.6875 805.3085       
215.4235 664.6513       124.3375 58.75439 8.733209 55.12031 5.372933 3.634079 
10.25365 
1 1 1 7   -4  30 o 53.34120 5.241924  591.0803       100.7511 792.7538       
215.2116 534.4750       114.0170 57.53659 8.909282 49.14581 5.525917 8.390781 
10.48385 
1 1 1 7   -4  31 o 23.58371 6.381204  120.1406       86.73974 23.48065       
177.5368 150.4482       99.41257 22.15911 9.775979 25.00831 8.204225 -2.849203 
12.76241 
1 1 1 7   -4  32 o 26.92039 6.441243  193.3868       85.97755 93.32733       
186.0997 220.5391       96.94368 24.12979 10.32238 29.71099 7.707587 -5.581205 
12.88249 
1 1 1 7   -4  33 o 62.99945 5.168851  990.0721       114.9022 909.9266       
226.4753 1017.853       133.3374 58.63425 9.200056 67.36465 4.714557 -8.730392 
10.33770 
1 1 1 7   -4  34 o 20.30403 6.393483  55.90282       108.2395 -95.92856      
226.8546 100.6563       123.1630 19.54626 9.405905 21.06181 8.662299 -1.515549 
12.78697 
1 1 1 7   -3  0  o 146.4183 2.807258  4407.298       148.8945 4695.633       
304.0315 4316.325       170.7757 149.4719 4.844847 143.3647 2.837297 6.107178 
5.614516 
1 1 1 7   -3  1  o 219.0598 4.035682  10114.74       367.6808 10277.17       
489.8581 9905.149       556.4408 221.1057 5.277053 217.0140 6.107343 4.091721 
8.071364 
1 1 1 7   -3  2  o 200.7640 4.153654  8484.033       342.3557 8514.322       
440.7257 8437.947       543.6398 201.2541 5.216084 200.2739 6.465588 0.9802551 
8.307307 
1 1 1 7   -3  3  o 167.4861 3.506626  5898.374       246.1970 5939.963       
339.5796 5852.290       357.4583 168.1150 4.811232 166.8571 5.102720 1.257813 
7.013252 
1 1 1 7   -3  4  o 136.6675 2.649576  3966.617       146.1918 4087.974       
184.6543 3762.796       239.3046 139.5137 3.152562 133.8213 4.259386 5.692429 
5.299153 
1 1 1 7   -3  5  o 103.4487 2.827518  2248.025       122.7928 2223.257       
172.2975 2273.591       175.0456 102.8699 3.989437 104.0275 4.007968 -1.157555 
5.655035 
1 1 1 7   -3  6  o 401.0408 5.843894  33926.09       977.8928 33499.66       
1461.474 34271.77       1315.858 398.6717 8.731659 403.4099 7.769331 -4.738159 
11.68779 
1 1 1 7   -3  7  o 372.3034 8.292250  29285.76       1294.328 29815.07       
1887.676 28816.10       1778.143 375.4161 11.97665 369.1907 11.47194 6.225403 
16.58450 
1 1 1 7   -3  8  o 94.29968 2.788651  1836.505       108.8643 1690.954       
140.5887 2054.479       172.0463 89.71679 3.732481 98.88257 4.144257 -9.165779 
5.577301 
1 1 1 7   -3  9  o 89.56221 2.759087  1686.806       102.3770 1675.922       
157.8823 1694.704       134.4824 89.30625 4.210878 89.81818 3.566336 
-0.5119247     5.518175 
1 1 1 7   -3  10 o 266.5854 5.502787  14973.04       615.7142 14959.63       
880.8920 14985.85       860.9530 266.4571 7.874382 266.7136 7.688743 
-0.2565308     11.00557 
1 1 1 7   -3  11 o 261.2284 4.855095  14499.52       475.4334 14073.87       
899.5444 14664.50       560.0473 258.3642 8.292994 264.0926 5.051141 -5.728455 
9.710190 
1 1 1 7   -3  12 o 70.97682 3.215410  1060.415       95.12736 900.7983       
132.5348 1230.021       136.6189 65.45422 4.822957 76.49942 4.253767 -11.04520 
6.430820 
1 1 1 7   -3  13 o 126.6606 4.291460  3257.707       210.2752 3083.898       
249.4241 3684.733       390.9577 121.0913 4.906215 132.2298 7.042412 -11.13848 
8.582920 
1 1 1 7   -3  14 o 149.1616 8.002417  4698.003       501.1378 4698.003       
501.1378 0.000000       0.000000 149.1616 8.002417 ?        ?        ? ? 
1 1 1 7   -3  15 o 63.41182 6.441461  847.9419       171.4879 0.000000       
0.000000 847.9419       171.4879 ?        ?        63.41182 6.441461 ? ? 
1 1 1 7   -3  16 o 112.4016 4.720592  2690.679       217.7249 2783.564       
282.4862 2554.757       341.7204 114.8887 5.856539 109.9146 7.405196 4.974068 
9.441185 
1 1 1 7   -3  17 o 91.90326 5.386162  1781.553       207.8209 1781.553       
207.8209 0.000000       0.000000 91.90326 5.386162 ?        ?        ? ? 
1 1 1 7   -3  18 o 174.8987 5.062036  6547.285       354.9134 6284.109       
591.6081 6695.255       443.6056 171.8455 8.200059 177.9518 5.937664 -6.106339 
10.12407 
1 1 1 7   -3  19 o 143.4892 5.642385  4450.926       321.0217 4194.642       
544.3787 4587.564       397.4908 139.8925 9.268887 147.0858 6.436908 -7.193298 
11.28477 
1 1 1 7   -3  20 o 35.40748 10.19441  277.1399       159.7690 277.1399       
159.7690 0.000000       0.000000 35.40748 10.19441 ?        ?        ? ? 
1 1 1 7   -3  21 o 150.9863 5.338919  4903.549       324.6589 4694.752       
534.9510 5025.294       408.4877 148.0767 8.604948 153.8960 6.322268 -5.819214 
10.67784 
1 1 1 7   -3  22 o 95.36581 3.946972  1929.092       149.3737 1914.797       
256.6606 1936.414       183.6871 94.96335 6.437603 95.76827 4.568546 
-0.8049240     7.893944 
1 1 1 7   -3  23 o 24.07179 6.803359  66.25686       97.72501 77.75686       
174.9262 61.03917       117.8270 26.14448 10.48205 21.99910 8.675798 4.145376 
13.60672 
1 1 1 7   -3  24 o 113.0467 4.912414  2694.538       208.9071 2831.225       
399.8479 2643.217       245.0064 114.5096 8.317143 111.5838 5.229949 2.925804 
9.824828 
1 1 1 7   -3  25 o 56.52031 5.173757  696.1586       109.0609 674.0053       
206.9788 704.6733       128.3195 55.52663 8.878625 57.51399 5.314231 -1.987362 
10.34751 
1 1 1 7   -3  26 o 99.84222 3.925713  2120.745       155.0150 2172.554       
269.9819 2095.265       189.3342 100.4287 6.403213 99.25579 4.543540 1.172874 
7.851426 
1 1 1 7   -3  27 o 61.05590 4.490774  759.8242       108.0470 949.9626       
197.0321 678.0595       129.2067 65.94830 7.116302 56.16350 5.479638 9.784801 
8.981547 
1 1 1 7   -3  28 o 30.85135 6.524379  219.6857       85.53951 211.6743       
163.3852 222.7108       100.3987 30.65665 10.51670 31.04604 7.724580 
-0.3893929     13.04876 
1 1 1 7   -3  29 o 24.35713 6.380517  121.7989       82.71807 47.67547       
169.8569 144.8427       94.70712 23.50110 9.950171 25.21316 7.989874 -1.712057 
12.76103 
1 1 1 7   -3  30 o 98.28441 4.282635  2158.796       149.5025 2116.777       
304.2190 2172.175       171.6610 96.16273 7.535302 100.4061 4.072233 -4.243370 
8.565270 
1 1 1 7   -3  31 o 23.40918 6.540692  105.7679       89.84076 43.46371       
182.7962 125.6108       103.1599 23.21361 10.08537 23.60474 8.331137 
-0.3911304     13.08138 
1 1 1 7   -3  32 o 37.80313 6.198211  412.0793       88.98461 244.2327       
189.0231 459.8673       100.8597 30.23586 11.20867 45.37041 5.295002 -15.13455 
12.39642 
1 1 1 7   -3  33 o 29.91344 6.961339  214.1719       87.28246 320.6951       
190.9038 186.0196       98.14070 32.81264 11.35706 27.01425 8.053455 5.798384 
13.92268 
1 1 1 7   -3  34 o 53.49827 7.038661  829.1212       123.7323 754.2443       
261.9473 850.6260       140.3803 46.50404 12.94674 60.49250 5.527462 -13.98846 
14.07732 
1 1 1 7   -3  35 o 38.73034 6.107310  567.5027       126.1773 51.76011       
247.2041 749.2053       146.7303 22.27592 10.44451 55.18477 6.333177 -32.90885 
12.21462 
1 1 1 7   -2  0  o 127.0239 2.669906  3382.114       141.8358 3309.355       
191.4414 3470.651       211.1804 125.5162 3.632930 128.5317 3.913492 -3.015427 
5.339813 
1 1 1 7   -2  1  o 361.5938 5.881491  27500.50       778.1597 27454.88       
901.2731 27634.13       1542.379 361.3195 5.941363 361.8681 10.15224 
-0.5486145     11.76298 
1 1 1 7   -2  2  o 34.49596 3.157208  249.9276       45.70324 260.9816       
65.36861 239.3567       63.92387 35.24214 4.418024 33.74977 4.511420 1.492371 
6.314416 
1 1 1 7   -2  3  o 132.4641 3.291442  3687.085       182.9767 3701.678       
262.6775 3673.329       255.0283 132.7168 4.714309 132.2114 4.594525 0.5053864 
6.582885 
1 1 1 7   -2  4  o 51.86095 2.681410  565.3244       58.15725 631.6773       
83.24075 502.0487       81.28757 54.83730 3.615605 48.88459 3.960712 5.952713 
5.362820 
1 1 1 7   -2  5  o 88.54567 2.536795  1592.246       88.61115 1496.137       
106.7666 1804.991       158.8483 84.40311 3.012993 92.68822 4.082057 -8.285118 
5.073590 
1 1 1 7   -2  6  o 288.9789 5.174894  17256.63       555.8349 18274.82       
1089.219 16898.12       646.3248 294.4543 8.810866 283.5035 5.430171 10.95078 
10.34979 
1 1 1 7   -2  7  o 47.96075 3.038945  483.5040       61.14198 487.9254       
85.00515 478.7645       88.00866 48.18904 4.201632 47.73245 4.391701 0.4565926 
6.077890 
1 1 1 7   -2  8  o 302.7162 5.566418  19326.35       690.0261 19417.83       
884.4922 19184.10       1102.970 303.7460 6.935925 301.6865 8.708212 2.059540 
11.13284 
1 1 1 7   -2  9  o 485.4861 7.160658  49999.59       1260.952 49276.92       
2518.922 50241.25       1456.597 482.4347 12.43647 488.5374 7.101703 -6.102722 
14.32132 
1 1 1 7   -2  10 o 350.8583 6.117515  26002.16       891.2253 26297.98       
1180.097 25609.47       1359.655 353.3017 7.955972 348.4150 9.295076 4.886658 
12.23503 
1 1 1 7   -2  11 o 176.7589 3.764972  6603.771       271.5914 6422.646       
435.8250 6718.762       347.2638 174.7299 5.941087 178.7878 4.626395 -4.057892 
7.529943 
1 1 1 7   -2  12 o 234.8961 5.407155  11588.41       531.3261 12054.52       
791.4905 11206.06       716.8579 239.1537 7.882965 230.6384 7.403253 8.515396 
10.81431 
1 1 1 7   -2  13 o 189.5111 5.760513  7062.128       273.1138 6943.631       
286.5673 8236.002       901.9480 181.7815 3.754897 197.2407 10.89196 -15.45917 
11.52103 
1 1 1 7   -2  14 o 133.5647 8.285396  3766.024       464.6052 3766.024       
464.6052 0.000000       0.000000 133.5647 8.285396 ?        ?        ? ? 
1 1 1 7   -2  15 o 89.19280 6.655669  1677.135       249.2301 0.000000       
0.000000 1677.135       249.2301 ?        ?        89.19280 6.655669 ? ? 
1 1 1 7   -2  16 o 119.6487 4.110615  2967.511       203.5234 2744.781       
262.6552 3302.194       321.9687 114.1484 5.480717 125.1491 6.127836 -11.00069 
8.221231 
1 1 1 7   -2  17 o 30.19370 6.362891  197.5015       94.16743 285.4292       
121.8782 67.26473       148.3303 35.99222 8.239491 24.39517 9.698263 11.59705 
12.72578 
1 1 1 7   -2  18 o 19.79257 5.927685  9.533482       79.01749 10.27054       
144.9612 9.221904       94.25076 21.82148 9.213216 17.76367 7.460995 4.057810 
11.85537 
1 1 1 7   -2  19 o 86.80515 4.250779  1588.699       137.5992 1606.540       
265.0558 1582.117       160.9925 86.98129 7.258261 86.62901 4.426528 0.3522720 
8.501558 
1 1 1 7   -2  20 o 176.5143 5.792087  6521.110       383.2048 6952.731       
740.6133 6363.312       447.8081 179.7681 9.812958 173.2605 6.156211 6.507629 
11.58417 
1 1 1 7   -2  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   -2  22 o 131.6394 4.302787  3631.975       216.1320 3775.335       
403.5840 3574.327       255.9243 133.1748 7.218267 130.1039 4.685352 3.070877 
8.605575 
1 1 1 7   -2  23 o 76.25753 4.267447  1208.548       117.8937 1283.669       
240.1245 1184.688       135.3269 77.59161 7.371279 74.92345 4.302169 2.668152 
8.534894 
1 1 1 7   -2  24 o 34.09291 6.286866  293.9442       98.14075 46.13634       
194.4301 378.6679       113.6863 26.02240 10.80982 42.16341 6.422345 -16.14101 
12.57373 
1 1 1 7   -2  25 o 114.5834 3.738573  2798.488       179.2506 2688.342       
261.1368 2896.628       246.4936 112.3762 5.534967 116.7906 5.027112 -4.414482 
7.477147 
1 1 1 7   -2  26 o 45.62701 5.507482  447.7384       96.43727 492.0152       
171.5623 427.2860       116.6024 46.62680 9.088376 44.62722 6.223413 1.999580 
11.01496 
1 1 1 7   -2  27 o 33.84207 6.248930  223.7636       90.12953 417.4924       
157.0215 128.5736       110.0672 42.66026 9.042556 25.02388 8.627208 17.63638 
12.49786 
1 1 1 7   -2  28 o 119.9671 4.179918  3116.616       189.7813 3112.107       
354.5442 3118.427       224.6802 119.1080 7.090073 120.8263 4.429192 -1.718338 
8.359837 
1 1 1 7   -2  29 o 30.81018 5.870246  261.6645       86.23762 -39.19849      
200.6260 329.8521       95.51142 22.73355 10.17908 38.88680 5.850247 -16.15325 
11.74049 
1 1 1 7   -2  30 o 47.78926 6.042700  556.6557       94.24815 498.1560       
204.5095 572.4302       106.1977 44.23875 11.03547 51.33978 4.926995 -7.101036 
12.08540 
1 1 1 7   -2  31 o 48.35049 6.200825  598.6415       92.87173 500.5347       
212.9302 621.6895       103.2058 43.25519 11.51718 53.44579 4.599512 -10.19060 
12.40165 
1 1 1 7   -2  32 f 48.64138 6.545464  603.5594       98.63575 567.1382       
233.1780 611.4967       108.8543 44.62838 12.12951 52.65438 4.924158 -8.025997 
13.09093 
1 1 1 7   -2  33 o 20.33555 5.880522  52.73957       89.30196 -216.0826      
189.3897 129.5963       101.2663 17.29511 8.378240 23.37600 8.253922 -6.080887 
11.76104 
1 1 1 7   -2  34 o 27.45252 7.569227  147.9444       106.9050 382.3484       
232.8549 85.34203       120.3368 33.79711 12.45722 21.10794 8.601769 12.68917 
15.13845 
1 1 1 7   -2  35 o 19.55598 6.477140  -14.22782      100.8479 111.7385       
238.2237 -41.73119      111.3142 23.70473 10.79870 15.40724 7.155525 8.297490 
12.95428 
1 1 1 7   -1  0  o 259.9982 5.293222  14197.06       573.8351 13950.59       
764.9091 14514.33       867.8552 257.4630 7.076462 262.5335 7.873786 -5.070526 
10.58644 
1 1 1 7   -1  1  o 159.2015 2.144725  5316.592       142.8449 5395.953       
211.7785 5250.349       193.4850 160.2874 3.147049 158.1157 2.914697 2.171692 
4.289450 
1 1 1 7   -1  2  o 235.4346 4.002891  11579.36       369.1153 11863.65       
656.3324 11447.85       446.3997 237.4663 6.583290 233.4029 4.555529 4.063431 
8.005782 
1 1 1 7   -1  3  o 113.1860 2.223031  2495.393       93.14913 2301.251       
106.8420 3110.528       190.1815 104.6867 2.430925 121.6852 3.722643 -16.99852 
4.446062 
1 1 1 7   -1  4  o 357.6431 5.088965  26876.12       691.1110 27029.67       
1291.993 26814.56       817.9760 358.1550 8.592318 357.1313 5.455489 1.023651 
10.17793 
1 1 1 7   -1  5  o 134.3681 2.606125  3825.104       136.1879 3880.323       
164.7652 3706.024       241.9600 135.9301 2.887160 132.8061 4.339569 3.124039 
5.212250 
1 1 1 7   -1  6  o 100.6549 2.310496  2062.462       94.40970 2379.843       
159.1572 1890.156       117.2695 106.4403 3.561567 94.86945 2.944285 11.57088 
4.620992 
1 1 1 7   -1  7  o 267.5968 4.978011  15097.08       557.1044 15395.50       
759.6486 14749.79       819.4777 270.4968 6.689161 264.6967 7.374111 5.800110 
9.956022 
1 1 1 7   -1  8  o 153.2215 3.059816  4922.237       192.8268 4879.615       
248.3519 4986.930       305.9728 152.4031 3.881456 154.0399 4.731194 -1.636719 
6.119632 
1 1 1 7   -1  9  o 232.6160 4.269262  11228.60       351.6822 11666.42       
737.6646 11099.81       400.0760 235.3894 7.464367 229.8425 4.146037 5.546951 
8.538525 
1 1 1 7   -1  10 o 550.2645 10.77832  64310.22       2483.764 65456.25       
3657.614 63329.51       3383.522 554.5889 15.70897 545.9401 14.76200 8.648804 
21.55663 
1 1 1 7   -1  11 o 225.3777 4.832713  10688.16       457.1778 10384.84       
640.4318 11003.34       652.8408 222.1153 6.867765 228.6402 6.801047 -6.524826 
9.665425 
1 1 1 7   -1  12 o 117.9725 3.115599  2922.688       153.5841 2948.867       
229.0591 2901.307       207.0119 118.4455 4.606277 117.4995 4.196433 0.9459686 
6.231199 
1 1 1 7   -1  13 o 160.8054 3.615119  5040.297       180.2765 4863.606       
195.4976 6044.262       466.0088 152.1665 3.060155 169.4442 6.550710 -17.27768 
7.230238 
1 1 1 7   -1  14 o 302.3279 10.19638  19605.01       1252.354 19982.04       
1592.019 18992.95       2028.417 306.7791 12.36071 297.8767 16.21966 8.902374 
20.39276 
1 1 1 7   -1  15 o 66.77404 7.114668  940.0978       199.4533 0.000000       
0.000000 940.0978       199.4533 ?        ?        66.77404 7.114668 ? ? 
1 1 1 7   -1  16 o 237.3474 6.497729  11738.77       562.5680 11548.85       
648.4559 12316.64       1131.131 234.0271 6.599869 240.6676 11.19481 -6.640472 
12.99546 
1 1 1 7   -1  17 o 71.72722 4.530831  1081.182       136.0228 1032.307       
183.8743 1140.258       202.1528 69.95254 6.260926 73.50191 6.550918 -3.549370 
9.061662 
1 1 1 7   -1  18 o 244.5546 7.943921  12862.85       773.7424 12608.03       
1313.759 12998.18       957.4036 241.9175 12.93509 247.1916 9.225340 -5.274109 
15.88784 
1 1 1 7   -1  19 o 171.5958 4.927782  6204.231       341.3662 6368.025       
569.9615 6112.609       426.2801 173.1380 7.841050 170.0536 5.970768 3.084366 
9.855563 
1 1 1 7   -1  20 f 147.1978 5.264158  4594.136       304.1491 4647.910       
536.2369 4568.633       369.2986 147.4934 8.659743 146.9022 5.987845 0.5912628 
10.52832 
1 1 1 7   -1  21 o 131.0708 4.937954  3731.113       256.4871 3406.867       
431.5751 3908.173       318.9187 126.2683 8.141100 135.8733 5.590710 -9.604996 
9.875908 
1 1 1 7   -1  22 o 50.59957 5.356216  541.6312       113.7847 0.000000       
0.000000 541.6312       113.7847 ?        ?        50.59957 5.356216 ? ? 
1 1 1 7   -1  23 o 55.16936 5.225895  631.3336       99.50410 679.1921       
217.6259 618.6840       111.8840 56.22975 9.218611 54.10898 4.925152 2.120770 
10.45179 
1 1 1 7   -1  24 o 115.7467 4.623919  2737.877       185.7433 3052.803       
406.6921 2654.873       208.7914 119.3764 8.114619 112.1170 4.435701 7.259468 
9.247837 
1 1 1 7   -1  25 o 89.38760 3.705077  1663.546       130.2978 1788.013       
232.0468 1606.230       157.4660 91.62452 6.032328 87.15068 4.303651 4.473839 
7.410154 
1 1 1 7   -1  26 o 42.60750 5.875242  435.8394       93.51120 318.0076       
167.0892 489.5757       112.8367 37.30739 10.32478 47.90761 5.610054 -10.60022 
11.75048 
1 1 1 7   -1  27 o 31.71090 6.609019  223.4554       88.73611 227.6441       
163.1695 221.6964       105.7393 32.13873 10.51081 31.28308 8.014942 0.8556499 
13.21804 
1 1 1 7   -1  28 o 38.54396 6.076519  260.4375       84.92397 546.3592       
183.7963 182.8248       95.75898 48.71313 9.319474 28.37479 7.800239 20.33834 
12.15304 
1 1 1 7   -1  29 f 35.68742 6.173041  327.9768       90.74718 180.1278       
173.7689 383.4191       106.4102 29.40089 10.76861 41.97395 6.038437 -12.57306 
12.34608 
1 1 1 7   -1  30 o 29.24164 6.841312  176.5338       84.58791 251.9210       
182.4262 155.8860       95.47156 32.46286 11.11375 26.02042 7.981156 6.442438 
13.68262 
1 1 1 7   -1  31 o 82.40250 4.153900  1396.900       121.1783 1712.072       
261.8462 1311.003       136.6974 86.84374 7.181726 77.96127 4.176403 8.882477 
8.307799 
1 1 1 7   -1  32 o 24.73811 6.199295  -46.10415      81.37157 383.4543       
185.3976 -148.5962      90.56032 37.79693 11.01398 11.67928 5.693614 26.11765 
12.39859 
1 1 1 7   -1  33 o 20.00380 6.401588  4.453407       87.50213 15.27410       
218.7863 2.393017       95.47007 23.44085 10.55752 16.56675 7.242940 6.874094 
12.80318 
1 1 1 7   -1  34 o 22.23921 6.933983  42.58289       104.8975 128.5428       
228.1320 19.53608       118.1255 25.97478 11.27563 18.50364 8.073457 7.471149 
13.86797 
1 1 1 7   -1  35 o 42.06361 6.664668  569.0789       113.6020 337.6978       
214.9874 658.7125       133.8088 31.37511 11.88141 52.75210 6.041793 -21.37699 
13.32934 
1 1 1 7   -1  36 o 21.54657 6.890298  31.87406       109.1799 255.6666       
234.2184 -30.25419      123.4078 26.76360 11.51865 16.32954 7.564757 10.43405 
13.78060 
1 1 1 7   0   0  o 193.3233 3.187114  7861.020       247.5097 7879.235       
308.3017 7827.993       415.1271 193.6680 3.791745 192.9785 5.123812 0.6894226 
6.374228 
1 1 1 7   0   1  o 198.5958 3.929094  8275.386       314.6461 8231.902       
393.0725 8352.944       524.9687 197.9142 4.730606 199.2774 6.274750 -1.363190 
7.858188 
1 1 1 7   0   2  o 211.7968 3.580235  9372.316       305.0744 9625.098       
513.7657 9234.643       379.1571 213.9511 5.719679 209.6425 4.307854 4.308640 
7.160470 
1 1 1 7   0   3  o 109.1589 2.688876  2438.534       120.3939 2800.156       
196.9666 2222.841       152.1191 115.4470 4.063787 102.8707 3.522195 12.57637 
5.377752 
1 1 1 7   0   4  o 168.9086 3.788666  5996.147       268.3961 6033.796       
388.9788 5961.933       370.8115 169.4093 5.469022 168.4079 5.244594 1.001465 
7.577332 
1 1 1 7   0   5  o 271.6155 5.038617  15499.25       570.0809 15747.16       
864.9566 15308.85       758.0184 273.4906 7.533086 269.7404 6.693524 3.750275 
10.07723 
1 1 1 7   0   6  o 122.9856 2.787477  3114.287       127.4171 3313.962       
250.0598 3044.263       148.0831 125.5731 4.743168 120.3982 2.929587 5.174820 
5.574955 
1 1 1 7   0   7  o 259.5357 3.459583  14278.05       362.9002 14620.79       
458.2268 13701.40       594.3682 263.7953 4.137466 255.2760 5.545831 8.519363 
6.919167 
1 1 1 7   0   8  o 311.2579 4.334756  20196.59       538.0153 19811.80       
661.0877 20951.33       925.8596 306.9987 5.129128 315.5171 6.989456 -8.518341 
8.669513 
1 1 1 7   0   9  o 175.8588 3.155825  6522.919       227.0823 6389.974       
362.5819 6608.721       291.2849 174.3573 4.953215 177.3603 3.911854 -3.003036 
6.311651 
1 1 1 7   0   10 o 195.3365 3.788417  8079.411       288.2919 8178.016       
349.0993 7867.965       511.2111 197.2823 4.214848 193.3907 6.296306 3.891678 
7.576834 
1 1 1 7   0   11 o 233.4340 4.282727  11453.63       364.8711 11444.53       
422.0960 11480.50       725.7382 233.3706 4.308104 233.4974 7.403192 
-0.1268005     8.565454 
1 1 1 7   0   12 o 320.1594 5.795278  21620.57       778.2887 21025.59       
1113.859 22188.18       1087.932 315.8197 8.400633 324.4991 7.985633 -8.679443 
11.59056 
1 1 1 7   0   13 o 132.1459 2.925318  3745.311       157.6474 4050.004       
205.3471 3307.970       246.0183 138.8458 3.522711 125.4459 4.671237 13.39987 
5.850636 
1 1 1 7   0   14 o 322.9005 10.57751  22005.84       1367.745 22967.09       
2333.128 21502.52       1688.269 327.5103 16.96816 318.2906 12.63394 9.219696 
21.15502 
1 1 1 7   0   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   0   16 o 208.7066 7.176404  9111.783       601.8052 8830.251       
744.2997 9643.359       1022.740 204.3797 8.674232 213.0334 11.43507 -8.653641 
14.35281 
1 1 1 7   0   17 o 106.0291 3.808580  2388.674       166.5714 2245.365       
256.5518 2493.112       219.0120 103.2194 5.920179 108.8388 4.792975 -5.619431 
7.617160 
1 1 1 7   0   18 o 129.1808 4.094253  3563.467       213.5191 3352.497       
348.5698 3690.173       270.1316 125.9933 6.589667 132.3682 4.860855 -6.374962 
8.188506 
1 1 1 7   0   19 o 152.3824 4.215955  4912.350       269.2549 4719.929       
387.1745 5092.570       374.6996 149.4547 6.170472 155.3102 5.746512 -5.855545 
8.431911 
1 1 1 7   0   20 o 32.47223 6.319491  240.9492       85.68914 179.0086       
159.4893 266.0847       101.5986 30.16807 10.38653 34.77638 7.201654 -4.608309 
12.63898 
1 1 1 7   0   21 o 125.9207 4.061230  3345.284       211.6317 3422.505       
329.8799 3291.271       275.8896 127.0678 6.183600 124.7737 5.266636 2.294060 
8.122460 
1 1 1 7   0   22 o 217.3494 5.210617  10209.85       419.4592 9749.701       
803.6762 10382.12       491.7510 213.1581 8.980496 221.5407 5.287041 -8.382660 
10.42123 
1 1 1 7   0   23 o 142.9608 5.171905  4446.565       253.4980 4185.558       
540.9370 4520.016       286.9585 139.6123 9.228775 146.3093 4.671628 -6.697006 
10.34381 
1 1 1 7   0   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   0   25 o 165.5144 4.549641  5794.784       279.5717 5920.690       
543.0950 5749.391       326.0976 166.1771 7.784411 164.8517 4.711674 1.325378 
9.099281 
1 1 1 7   0   26 o 58.66905 4.202451  669.6061       95.43153 907.1422       
182.4654 580.1641       111.9661 65.07692 6.678433 52.26119 5.103031 12.81573 
8.404902 
1 1 1 7   0   27 o 51.02867 4.879567  553.7295       91.50878 577.4391       
181.1097 545.6015       106.0402 51.43187 8.387462 50.62546 4.989105 0.8064117 
9.759133 
1 1 1 7   0   28 f 33.96299 6.560911  238.0436       83.30897 319.2323       
180.0635 215.9312       93.97160 37.02680 10.87524 30.89918 7.342440 6.127621 
13.12182 
1 1 1 7   0   29 o 78.83577 4.043245  1310.693       118.3656 1413.302       
232.3655 1274.739       137.5492 80.36400 6.887017 77.30755 4.237963 3.056450 
8.086491 
1 1 1 7   0   30 o 41.27757 5.844867  318.0043       84.14976 575.4872       
187.2626 252.8546       94.19604 49.32124 9.381796 33.23391 6.973649 16.08733 
11.68973 
1 1 1 7   0   31 f 101.6224 3.791164  2209.374       145.1216 2367.297       
277.6711 2150.026       170.2198 103.2085 6.408206 100.0363 4.052973 3.172203 
7.582328 
1 1 1 7   0   32 o 57.30278 4.909497  771.0842       98.54256 696.1537       
198.5576 795.5714       113.5079 54.08908 8.743754 60.51648 4.467594 -6.427402 
9.818994 
1 1 1 7   0   33 o 52.01691 5.592709  601.8799       99.10799 737.1111       
213.6143 564.7858       111.8781 53.62163 9.857553 50.41220 5.286039 3.209435 
11.18542 
1 1 1 7   0   34 o 28.68673 7.565427  214.9759       112.3454 173.5037       
253.6642 225.0958       125.3049 28.07208 12.03149 29.30138 9.175296 -1.229292 
15.13085 
1 1 1 7   0   35 o 21.93715 6.579113  84.94999       99.51746 39.79089       
193.8640 101.1079       115.9624 22.18193 9.967159 21.69238 8.590382 0.4895458 
13.15823 
1 1 1 7   0   36 o 40.61261 6.543852  550.2454       113.7078 307.4294       
206.2922 656.2122       136.2791 29.27200 11.50005 51.95322 6.247953 -22.68121 
13.08770 
1 1 1 7   1   0  o 331.2144 4.842242  23135.81       671.5865 24018.47       
928.5499 22167.61       972.5076 337.8879 6.545664 324.5410 7.137473 13.34686 
9.684484 
1 1 1 7   1   1  o 142.2208 2.154924  4246.328       128.5447 4284.058       
186.2929 4212.037       177.5980 142.8223 3.106858 141.6193 2.987009 1.202957 
4.309848 
1 1 1 7   1   2  o 147.9617 2.693520  4551.018       157.6349 4458.994       
191.9978 4741.348       276.1202 145.7084 3.138577 150.2151 4.378302 -4.506714 
5.387039 
1 1 1 7   1   3  o 212.1045 2.791733  9432.341       239.9640 9379.064       
301.7612 9523.979       395.7634 211.3132 3.401400 212.8957 4.427818 -1.582458 
5.583467 
1 1 1 7   1   4  o 159.0109 3.707443  5311.313       246.9621 5259.238       
337.5046 5371.331       362.3297 158.1793 5.082193 159.8425 5.399243 -1.663193 
7.414885 
1 1 1 7   1   5  o 130.7048 2.517150  3601.948       137.2702 3726.066       
186.0160 3453.538       203.4064 133.1918 3.326549 128.2178 3.778656 4.973953 
5.034300 
1 1 1 7   1   6  o 139.3514 2.418499  4083.848       140.4093 4037.222       
211.4666 4120.613       187.7754 138.6338 3.633238 140.0691 3.193137 -1.435318 
4.836997 
1 1 1 7   1   7  o 192.9349 3.643859  7885.338       279.2428 7635.302       
476.2297 8016.350       344.7232 190.5416 5.953163 195.3282 4.203651 -4.786575 
7.287718 
1 1 1 7   1   8  o 299.1639 5.165249  18584.22       562.1876 19353.96       
1133.990 18333.39       647.3391 303.0116 8.913970 295.3162 5.221143 7.695374 
10.33050 
1 1 1 7   1   9  o 297.2714 5.095212  18251.90       455.6805 19107.56       
1184.095 18103.15       493.7026 301.0024 9.369959 293.5404 4.006071 7.462006 
10.19042 
1 1 1 7   1   10 o 179.6666 3.791320  6827.900       283.1620 7124.204       
379.8460 6457.275       424.8209 184.1028 4.914374 175.2303 5.774544 8.872528 
7.582640 
1 1 1 7   1   11 o 189.7454 3.861110  7556.138       306.1295 7711.063       
457.7091 7430.740       411.7880 191.4883 5.693357 188.0025 5.217123 3.485779 
7.722221 
1 1 1 7   1   12 o 50.25870 3.621340  529.1341       76.20336 477.4399       
104.6459 587.4926       111.1869 47.65316 5.230600 52.86424 5.009713 -5.211075 
7.242680 
1 1 1 7   1   13 o 335.4186 4.954020  23963.43       635.0486 23016.24       
1160.512 24368.30       758.7266 330.4182 8.365787 340.4189 5.308755 -10.00070 
9.908040 
1 1 1 7   1   14 f 292.9990 9.590129  18060.58       1143.440 18960.48       
1882.093 17534.11       1439.573 298.3280 15.02686 287.6699 11.91956 10.65805 
19.18026 
1 1 1 7   1   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   1   16 o 110.4122 4.266677  2580.872       195.9441 2682.240       
262.9902 2454.385       293.7717 112.8888 5.548936 107.9356 6.482857 4.953239 
8.533354 
1 1 1 7   1   17 o 212.5879 6.915329  9515.148       557.1058 9731.996       
1048.252 9429.789       657.6761 213.8244 11.67695 211.3513 7.411875 2.473083 
13.83066 
1 1 1 7   1   18 o 335.7004 7.654315  23965.61       1043.938 24160.16       
1708.676 23849.73       1318.672 336.1754 12.10639 335.2254 9.369596 0.9499512 
15.30863 
1 1 1 7   1   19 o 112.7358 3.912019  2545.798       172.6493 3053.827       
317.3738 2332.267       205.7579 120.2437 6.286801 105.2279 4.657434 15.01585 
7.824038 
1 1 1 7   1   20 o 73.26098 3.890673  1164.603       115.5534 990.9267       
180.6313 1284.914       150.3410 68.44418 6.286046 78.07778 4.586391 -9.633606 
7.781347 
1 1 1 7   1   21 o 88.81497 3.459816  1613.898       116.9556 1787.215       
222.6536 1547.853       137.4445 91.90838 5.770265 85.72157 3.819077 6.186806 
6.919632 
1 1 1 7   1   22 f 144.0864 4.504502  4485.246       260.1576 4123.450       
428.3618 4696.683       327.4695 139.1451 7.332700 149.0276 5.233896 -9.882523 
9.009005 
1 1 1 7   1   23 o 45.62550 5.069592  397.3757       86.70329 548.8149       
176.2290 349.0122       99.59031 50.66302 8.285285 40.58799 5.844409 10.07502 
10.13918 
1 1 1 7   1   24 o 32.03760 6.379660  227.7278       84.95078 204.3872       
157.3635 237.3274       100.9194 31.34041 10.32212 32.73479 7.500275 -1.394373 
12.75932 
1 1 1 7   1   25 o 98.24528 4.113382  2036.896       169.6640 0.000000       
0.000000 2036.896       169.6640 ?        ?        98.24528 4.113382 ? ? 
1 1 1 7   1   26 o 158.9886 4.846893  5416.083       294.7445 5385.162       
541.4368 5429.106       351.3707 158.0445 8.159988 159.9327 5.232981 -1.888275 
9.693787 
1 1 1 7   1   27 o 98.10832 4.242840  2080.560       155.3373 2008.135       
294.7762 2108.404       182.7743 96.48946 7.276686 99.72717 4.365387 -3.237709 
8.485680 
1 1 1 7   1   28 o 96.31105 4.054679  1869.815       133.0153 2196.577       
301.9405 1791.129       148.1676 100.6787 7.143400 91.94344 3.838429 8.735222 
8.109359 
1 1 1 7   1   29 o 31.35834 6.756248  203.6042       84.59620 267.8241       
180.4316 185.5094       95.77557 34.15511 11.04904 28.56157 7.778573 5.593536 
13.51250 
1 1 1 7   1   30 o 93.49585 3.909899  1877.949       130.1688 1920.069       
268.2879 1864.981       148.8643 93.42191 6.840272 93.56979 3.789449 
-0.1478882     7.819799 
1 1 1 7   1   31 o 45.37801 5.775141  460.9939       89.58495 505.4515       
190.6181 448.3907       101.4918 45.36501 10.24916 45.39101 5.325766 
-0.2600098E-01 11.55028 
1 1 1 7   1   32 o 48.08519 5.508540  491.2105       87.35283 625.7818       
199.5058 459.2932       97.16125 50.32150 9.792739 45.84887 5.047606 4.472626 
11.01708 
1 1 1 7   1   33 o 20.25656 6.488995  -19.35459      90.58381 58.31216       
214.9973 -36.11722      99.88184 24.91179 10.88047 15.60133 7.074149 9.310456 
12.97799 
1 1 1 7   1   34 o 38.48565 7.541633  365.9181       109.9706 503.0731       
236.2472 327.9785       124.2531 40.82015 12.56184 36.15115 8.348950 4.669003 
15.08327 
1 1 1 7   1   35 o 37.51749 7.353898  402.0770       112.1924 388.3788       
229.4965 406.3788       128.6078 34.78508 12.41108 40.24990 7.892042 -5.464825 
14.70780 
1 1 1 7   1   36 o 33.05518 6.514761  363.4648       111.3174 110.8877       
209.5320 462.7861       131.3938 23.75519 10.53208 42.35517 7.670966 -18.59999 
13.02952 
1 1 1 7   2   0  o 26.43290 3.517574  154.7563       38.22087 265.1534       
55.82088 57.31887       52.44216 35.52782 3.742391 17.33797 5.957164 18.18985 
7.035147 
1 1 1 7   2   1  o 167.5597 2.769305  5936.494       193.3415 6298.710       
263.0706 5511.044       285.1097 173.1634 3.618573 161.9561 4.193106 11.20726 
5.538610 
1 1 1 7   2   2  o 173.2806 3.615062  6303.231       260.4966 6252.647       
344.7631 6370.531       397.6715 172.4868 4.760865 174.0744 5.441401 -1.587524 
7.230124 
1 1 1 7   2   3  o 350.7729 7.104820  25962.22       1046.296 26064.95       
1478.970 25859.30       1480.402 351.4720 10.02281 350.0738 10.07259 1.398193 
14.20964 
1 1 1 7   2   4  o 162.4955 3.219613  5540.336       211.0264 5518.655       
263.8097 5578.858       351.6475 162.0784 3.876919 162.9125 5.141315 
-0.8341217     6.439225 
1 1 1 7   2   5  o 190.0920 3.917222  7548.485       307.8264 7869.748       
483.6598 7329.745       399.0924 193.4466 5.955249 186.7374 5.090531 6.709152 
7.834444 
1 1 1 7   2   6  o 306.1141 5.149892  19686.67       584.9426 19804.57       
1135.179 19644.05       682.5327 306.5425 8.820528 305.6858 5.318256 0.8566895 
10.29978 
1 1 1 7   2   7  o 74.09860 2.504947  1124.057       75.12003 1261.013       
127.0546 1050.453       93.14391 77.47543 3.906139 70.72179 3.137056 6.753639 
5.009894 
1 1 1 7   2   8  o 252.7052 3.478923  13462.83       367.9747 14314.55       
512.7705 12558.50       528.3696 260.9858 4.679798 244.4246 5.148894 16.56125 
6.957846 
1 1 1 7   2   9  o 253.6154 3.666515  13535.58       388.3030 13378.00       
578.1617 13665.07       524.0972 252.2498 5.459333 254.9810 4.895817 -2.731201 
7.333031 
1 1 1 7   2   10 o 395.3761 5.121116  32755.17       751.4471 32583.66       
876.2598 33231.87       1460.877 393.6856 5.301569 397.0667 8.763372 -3.381042 
10.24223 
1 1 1 7   2   11 o 276.3539 5.288602  16082.68       611.6490 16056.92       
901.2465 16104.67       832.8064 276.1148 7.774545 276.5930 7.171730 
-0.4782104     10.57720 
1 1 1 7   2   12 o 330.5482 5.352878  22882.02       691.2502 22662.71       
834.5477 23361.32       1233.726 328.2319 6.056078 332.8646 8.828199 -4.632690 
10.70576 
1 1 1 7   2   13 o 420.9054 8.271436  37482.58       1440.213 37548.07       
2236.595 37436.20       1882.427 420.9294 12.65608 420.8814 10.65318 
0.4800415E-01  16.54287 
1 1 1 7   2   14 o 166.8855 4.699179  5994.741       299.6850 6195.528       
359.6597 5538.718       542.0217 171.6613 4.990459 162.1098 7.963947 9.551453 
9.398358 
1 1 1 7   2   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   2   16 o 163.8600 5.103872  5796.537       319.7935 5322.071       
576.6177 6007.303       384.3139 158.7515 8.651494 168.9684 5.417535 -10.21683 
10.20774 
1 1 1 7   2   17 o 93.09575 3.821561  1862.165       140.9238 1705.944       
237.9268 1946.586       174.9047 89.97981 6.298241 96.21169 4.330067 -6.231873 
7.643122 
1 1 1 7   2   18 o 165.2551 5.521563  5833.466       372.0410 5504.066       
593.0455 6047.230       477.7439 161.2194 8.761769 169.2909 6.721756 -8.071457 
11.04313 
1 1 1 7   2   19 o 222.6337 6.970526  10598.08       616.2584 10389.33       
1053.424 10706.70       759.8469 220.4556 11.38160 224.8117 8.050599 -4.356125 
13.94105 
1 1 1 7   2   20 o 167.3177 4.470433  5915.690       305.3157 5929.789       
493.3670 5906.940       388.6815 167.3415 7.022432 167.2939 5.533944 
0.4753113E-01  8.940866 
1 1 1 7   2   21 o 90.58167 3.435259  1778.298       121.5605 1597.800       
209.5833 1869.803       149.2256 86.93127 5.742509 94.23206 3.771949 -7.300789 
6.870518 
1 1 1 7   2   22 o 90.16194 3.470972  1675.072       120.0693 1820.708       
224.5310 1616.746       142.0928 92.73300 5.767175 87.59089 3.863973 5.142113 
6.941945 
1 1 1 7   2   23 o 59.98804 3.700476  707.4692       86.80138 910.7762       
161.6417 625.0851       102.8961 65.55879 5.872777 54.41728 4.503840 11.14151 
7.400952 
1 1 1 7   2   24 o 76.79367 3.534110  1274.879       106.7402 1161.258       
182.3627 1334.092       131.6474 74.03386 5.867145 79.55347 3.941616 -5.519615 
7.068220 
1 1 1 7   2   25 o 191.8745 4.560306  7771.472       333.3811 7943.427       
621.3691 7701.964       395.0558 192.8771 7.673441 190.8719 4.929894 2.005203 
9.120611 
1 1 1 7   2   26 f 177.8967 4.854926  6716.573       307.9092 6834.881       
634.5219 6680.133       352.1502 178.1238 8.484879 177.6695 4.721022 0.4542847 
9.709852 
1 1 1 7   2   27 o 73.19984 7.110343  1151.610       218.5142 1151.610       
218.5142 0.000000       0.000000 73.19984 7.110343 ?        ?        ? ? 
1 1 1 7   2   28 o 42.46915 6.387267  447.7328       100.1286 305.4280       
193.8086 499.5454       116.9447 36.62166 11.39968 48.31664 5.765074 -11.69498 
12.77453 
1 1 1 7   2   29 o 128.1608 4.624599  3416.191       210.3601 3821.468       
445.2810 3299.755       238.6732 131.8793 8.042268 124.4422 4.568326 7.437119 
9.249198 
1 1 1 7   2   30 o 72.22523 4.171999  985.7089       101.9030 1392.926       
242.2816 898.1887       112.3211 79.54613 7.254748 64.90432 4.122008 14.64182 
8.343999 
1 1 1 7   2   31 o 62.11717 4.774622  889.9510       100.6252 786.4113       
211.8630 920.1113       114.3454 58.69461 8.597613 65.53973 4.155612 -6.845123 
9.549245 
1 1 1 7   2   32 o 23.99341 6.664875  76.48809       80.68254 186.2427       
183.7830 50.28502       89.79871 29.13250 10.99909 18.85432 7.530090 10.27817 
13.32975 
1 1 1 7   2   33 o 34.54544 6.277598  340.3632       104.6628 69.59001       
199.7867 442.7834       122.8730 24.87059 10.66908 44.22029 6.618443 -19.34970 
12.55520 
1 1 1 7   2   34 o 78.03888 4.592894  1394.501       135.4902 1389.889       
251.1840 1396.393       160.9059 76.48210 7.822638 79.59566 4.815082 -3.113564 
9.185787 
1 1 1 7   2   35 o 41.08154 6.812899  475.1108       112.0882 372.5427       
206.6472 517.8671       133.4206 35.17805 11.82855 46.98503 6.763703 -11.80698 
13.62580 
1 1 1 7   2   36 o 64.91666 5.739532  1068.182       134.5413 1049.258       
260.3106 1075.080       157.1603 61.45209 10.08965 68.38122 5.474281 -6.929127 
11.47906 
1 1 1 7   2   37 o 23.64077 7.049369  142.5467       111.6728 191.1143       
207.2535 122.6775       132.5620 25.16750 10.83356 22.11404 9.022660 3.053461 
14.09874 
1 1 1 7   3   0  o 132.0510 2.326179  3571.931       117.3153 3451.535       
138.3730 3879.683       221.2306 128.2060 2.570776 135.8960 3.877570 -7.690018 
4.652358 
1 1 1 7   3   1  o 130.4375 2.527276  3608.903       134.8876 3742.017       
174.1924 3409.539       213.1781 133.4815 3.108345 127.3934 3.985811 6.088089 
5.054552 
1 1 1 7   3   2  o 81.52616 2.229100  1397.520       76.19337 1357.711       
109.6592 1434.677       105.9442 80.40113 3.248658 82.65119 3.053158 -2.250061 
4.458200 
1 1 1 7   3   3  o 247.8917 4.137534  12999.67       408.1481 12676.21       
694.6828 13170.19       504.3839 245.4517 6.741267 250.3317 4.799174 -4.879974 
8.275068 
1 1 1 7   3   4  o 155.9798 3.070354  5135.094       197.9483 5249.645       
259.7709 4976.474       305.6813 158.0776 3.914185 153.8819 4.731538 4.195618 
6.140707 
1 1 1 7   3   5  o 86.11938 2.538767  1548.030       91.48274 1684.759       
136.3185 1435.994       123.3967 89.55672 3.625583 82.68204 3.554786 6.874672 
5.077534 
1 1 1 7   3   6  o 181.4273 2.687136  6821.657       190.8282 6663.647       
230.0153 7170.561       341.7963 178.1255 3.075756 184.7291 4.407101 -6.603683 
5.374273 
1 1 1 7   3   7  o 238.7159 2.918531  11890.44       284.9761 12331.83       
461.8187 11619.01       362.1478 242.2469 4.540820 235.1849 3.667730 7.061996 
5.837062 
1 1 1 7   3   8  f 421.2573 6.250387  37945.23       1043.326 39123.82       
1290.136 35717.62       1773.670 431.1459 7.127422 411.3686 10.26982 19.77728 
12.50077 
1 1 1 7   3   9  o 242.1294 5.331988  12309.78       539.7926 12699.80       
805.7657 11992.24       727.0521 245.5726 7.815377 238.6863 7.255363 6.886322 
10.66398 
1 1 1 7   3   10 o 339.4839 6.876924  24309.34       970.2698 24350.42       
1481.374 24278.48       1284.026 339.6152 10.38960 339.3527 9.012465 0.2625122 
13.75385 
1 1 1 7   3   11 o 289.2839 4.391934  17604.93       531.2496 17617.21       
719.8193 17590.25       787.3094 289.4219 5.923974 289.1459 6.485590 0.2759705 
8.783868 
1 1 1 7   3   12 o 136.3681 2.813538  3724.713       137.5344 4260.782       
289.8535 3568.949       156.2434 142.3755 4.849134 130.3608 2.854801 12.01474 
5.627077 
1 1 1 7   3   13 o 340.0889 6.473314  24406.04       920.3212 24489.05       
1246.532 24306.57       1364.517 340.8028 8.712071 339.3750 9.576795 1.427765 
12.94663 
1 1 1 7   3   14 o 412.8890 11.53431  36231.14       1990.956 34900.91       
2675.759 37881.09       2980.025 404.6584 15.74996 421.1195 16.85527 -16.46112 
23.06862 
1 1 1 7   3   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   3   16 o 85.08389 4.106551  1524.562       135.4058 1520.826       
243.8772 1526.227       162.8055 84.96671 6.836652 85.20107 4.551400 
-0.2343674     8.213102 
1 1 1 7   3   17 o 177.2709 5.080093  6727.104       364.3388 6230.229       
589.0345 7034.998       463.6787 171.7709 8.167934 182.7709 6.042701 -11.00006 
10.16019 
1 1 1 7   3   18 o 208.7795 6.032710  9214.606       473.5197 9234.537       
898.3372 9206.938       557.2137 208.5788 10.25865 208.9802 6.350936 
-0.4014587     12.06542 
1 1 1 7   3   19 o 120.4361 4.256803  3054.931       182.9987 3067.432       
376.1020 3051.054       209.4661 120.4479 7.437511 120.4242 4.143056 
0.2360535E-01  8.513606 
1 1 1 7   3   20 o 142.6249 3.959565  4248.844       213.3161 4390.814       
404.8189 4194.270       250.9893 144.1030 6.691273 141.1469 4.235503 2.956146 
7.919130 
1 1 1 7   3   21 o 130.8912 3.942191  3682.003       201.3008 3444.231       
351.9496 3797.604       245.4044 127.5367 6.573043 134.2457 4.354146 -6.709084 
7.884382 
1 1 1 7   3   22 o 79.30233 3.383851  1320.256       103.7314 1346.296       
188.6270 1308.967       124.1978 79.77460 5.631969 78.83006 3.752694 0.9445496 
6.767702 
1 1 1 7   3   23 o 34.36340 5.708078  270.4607       78.74088 209.2172       
140.0354 298.7772       95.21976 31.18712 9.686419 37.53967 6.041679 -6.352551 
11.41616 
1 1 1 7   3   24 o 60.44117 3.773115  729.3460       91.00195 913.5436       
161.6670 643.9123       110.1016 65.66538 5.864163 55.21696 4.749439 10.44842 
7.546229 
1 1 1 7   3   25 o 229.1967 5.893390  11243.31       562.1789 11223.94       
852.0322 11258.24       748.1425 228.7312 8.872617 229.6622 7.759179 
-0.9310608     11.78678 
1 1 1 7   3   26 o 41.74454 5.475899  406.5354       82.91364 321.8353       
154.3784 440.8723       98.29353 37.85800 9.675576 45.63108 5.130801 -7.773083 
10.95180 
1 1 1 7   3   27 o 43.27207 6.300757  369.9702       100.1838 547.2864       
199.6580 310.3023       115.8198 49.20916 10.01186 37.33498 7.652505 11.87418 
12.60151 
1 1 1 7   3   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   3   29 o 148.3745 5.151493  4672.288       294.0188 5068.217       
545.3066 4510.008       349.1122 151.7437 8.559557 145.0053 5.734587 6.738358 
10.30299 
1 1 1 7   3   30 o 25.61820 6.937304  102.2668       95.36175 159.7314       
181.7701 80.44415       112.0148 29.02132 10.94411 22.21507 8.528260 6.806250 
13.87461 
1 1 1 7   3   31 o 110.4281 4.796740  2605.833       190.0506 2848.545       
392.7081 2531.603       217.1768 112.3616 8.324783 108.4945 4.767896 3.867081 
9.593479 
1 1 1 7   3   32 o 68.77699 4.442285  1062.618       111.5620 1008.680       
216.4458 1082.131       130.1874 66.66912 7.732955 70.88485 4.374583 -4.215729 
8.884569 
1 1 1 7   3   33 o 25.85743 6.995321  136.4467       99.11695 133.4498       
189.1647 137.5808       116.3705 26.84297 10.84285 24.87190 8.841416 1.971067 
13.99064 
1 1 1 7   3   34 o 33.38592 6.873820  314.5952       108.5004 147.6515       
205.6675 378.9753       127.7193 27.24454 11.19753 39.52729 7.975771 -12.28275 
13.74764 
1 1 1 7   3   35 o 36.26266 6.739176  395.2912       109.8300 179.7637       
228.5237 460.0273       125.2428 28.05366 11.69056 44.47167 6.707961 -16.41801 
13.47835 
1 1 1 7   3   36 o 46.59591 6.599400  577.1101       114.8499 569.3019       
212.4124 580.3358       136.5278 43.60789 11.45404 49.58392 6.558454 -5.976021 
13.19880 
1 1 1 7   3   37 o 30.19267 7.645992  260.0713       114.2883 436.3583       
212.6345 188.4535       135.5296 34.81966 11.99236 25.56568 9.488310 9.253975 
15.29198 
1 1 1 7   4   0  o 98.51132 2.376304  2024.240       96.80281 1960.683       
125.5344 2117.472       152.0424 96.62126 3.094648 100.4014 3.606999 -3.780113 
4.752608 
1 1 1 7   4   1  o 185.9893 3.382236  7271.621       263.8014 7234.468       
381.7713 7305.571       364.9406 185.5291 4.901312 186.4495 4.662105 
-0.9204102     6.764472 
1 1 1 7   4   2  o 42.88430 2.547594  386.3846       45.76519 421.0789       
65.37038 353.0340       64.09205 44.77370 3.477595 40.99489 3.723878 3.778812 
5.095188 
1 1 1 7   4   3  f 218.5217 3.189751  9973.722       279.0258 10234.29       
475.0495 9836.478       344.7636 220.6543 5.127994 216.3891 3.794960 4.265213 
6.379501 
1 1 1 7   4   4  o 253.4406 4.737273  13494.67       500.8142 13685.70       
754.6217 13344.29       669.5089 255.0102 7.048437 251.8709 6.331394 3.139236 
9.474545 
1 1 1 7   4   5  o 30.05737 3.822299  193.0993       47.06248 171.5165       
65.47447 216.1700       67.69379 28.04526 5.758571 32.06949 5.027798 -4.024227 
7.644599 
1 1 1 7   4   6  o 186.9420 2.566947  7333.344       201.3518 7574.301       
290.7887 7111.398       279.0809 189.8884 3.647540 183.9956 3.612799 5.892807 
5.133894 
1 1 1 7   4   7  f 388.5369 6.692107  31968.51       1042.420 31382.67       
1748.957 32291.29       1298.211 385.4933 10.80646 391.5806 7.896689 -6.087311 
13.38421 
1 1 1 7   4   8  o 397.4006 8.231424  33384.70       1373.348 33339.80       
1944.180 33429.41       1940.241 397.1292 11.66073 397.6720 11.62122 
-0.5428162     16.46285 
1 1 1 7   4   9  o 249.0560 4.885431  13074.34       510.0085 12479.70       
730.4404 13640.00       712.4189 243.4999 7.145080 254.6121 6.664650 -11.11224 
9.770862 
1 1 1 7   4   10 o 403.9361 5.846584  34263.84       983.5999 33528.52       
1304.626 35232.29       1497.217 399.0130 7.787897 408.8592 8.722320 -9.846191 
11.69317 
1 1 1 7   4   11 o 389.4569 7.520014  31961.66       1195.127 31729.62       
1518.528 32339.33       1937.264 387.8763 9.325040 391.0375 11.80026 -3.161224 
15.04003 
1 1 1 7   4   12 o 302.9514 4.280300  19269.70       508.0769 19403.88       
898.9302 19206.72       615.8861 303.6155 7.052175 302.2872 4.852904 1.328278 
8.560599 
1 1 1 7   4   13 o 357.8927 4.793807  26959.72       625.2269 26960.79       
722.9094 26956.56       1245.508 358.1408 4.807852 357.6445 8.294991 0.4963379 
9.587613 
1 1 1 7   4   14 o 89.62254 3.927287  1677.381       146.6954 1597.255       
194.2022 1783.851       223.8622 87.15489 5.307420 92.09019 5.790132 -4.935303 
7.854574 
1 1 1 7   4   15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   4   16 o 231.2821 6.941892  11303.45       572.7969 11314.13       
1176.654 11300.14       655.7397 230.9298 12.13640 231.6343 6.742945 
-0.7045288     13.88378 
1 1 1 7   4   17 o 193.7664 6.078795  7820.221       457.0532 8218.790       
831.3605 7647.577       547.1600 197.0366 10.04994 190.4962 6.841466 6.540405 
12.15759 
1 1 1 7   4   18 o 110.1219 4.189256  2543.960       175.2146 2579.444       
328.0611 2529.798       207.2499 110.5758 7.066685 109.6681 4.501270 0.9076996 
8.378512 
1 1 1 7   4   19 o 126.9240 3.373870  3405.150       174.3541 3332.452       
281.9315 3450.173       221.8692 125.7783 5.338989 128.0697 4.126402 -2.291443 
6.747740 
1 1 1 7   4   20 o 68.13048 3.815268  931.7499       97.89565 1085.494       
191.7495 877.5490       113.8514 71.69057 6.370789 64.57040 4.199776 7.120171 
7.630535 
1 1 1 7   4   21 o 118.4774 3.628644  3051.288       173.6053 2575.863       
273.3381 3372.741       224.7595 110.4125 5.896619 126.5423 4.230615 -16.12977 
7.257288 
1 1 1 7   4   22 o 166.4235 3.545516  5867.714       246.5411 5223.013       
349.3299 6507.507       347.9973 157.2297 5.292031 175.6173 4.719867 -18.38762 
7.091033 
1 1 1 7   4   23 o 216.0757 4.006264  9882.032       363.1708 9959.332       
524.5309 9810.855       503.3272 216.8557 5.761309 215.2956 5.568476 1.560165 
8.012528 
1 1 1 7   4   24 o 166.1483 3.540656  5777.161       233.2227 6007.835       
406.2148 5663.735       284.8488 168.4201 5.744906 163.8766 4.140173 4.543503 
7.081312 
1 1 1 7   4   25 o 106.5225 3.247738  2482.287       134.9087 2148.281       
230.7096 2655.841       166.3055 100.7550 5.454065 112.2899 3.527661 -11.53496 
6.495476 
1 1 1 7   4   26 o 144.4896 3.970270  4482.370       210.9146 4303.492       
409.7072 4546.867       246.0179 142.1618 6.864548 146.8174 3.991261 -4.655670 
7.940540 
1 1 1 7   4   27 o 18.90998 5.778439  -32.09976      74.72509 61.91408       
148.1549 -64.17587      86.53878 23.87675 9.615973 13.94322 6.410498 9.933531 
11.55688 
1 1 1 7   4   28 o 39.92083 6.323227  362.0157       89.44633 333.0379       
192.4158 370.0038       101.0254 38.20670 11.24854 41.63496 5.779545 -3.428257 
12.64645 
1 1 1 7   4   29 o 35.50227 7.488471  283.3908       108.1369 0.000000       
0.000000 283.3908       108.1369 ?        ?        35.50227 7.488471 ? ? 
1 1 1 7   4   30 o 74.13770 4.018746  1117.448       109.8782 1322.233       
222.7409 1051.588       126.3173 77.99051 6.802669 70.28488 4.280770 7.705627 
8.037493 
1 1 1 7   4   31 o 40.21590 6.391895  273.3759       92.72778 646.3832       
206.6714 179.3611       103.7576 52.43972 9.751743 27.99209 8.266123 24.44764 
12.78379 
1 1 1 7   4   32 o 65.92128 4.479603  896.3742       107.0471 1086.631       
223.1461 839.5029       122.0018 69.44517 7.653644 62.39738 4.657157 7.047783 
8.959207 
1 1 1 7   4   33 o 20.49583 6.358152  -25.13808      96.78366 93.57792       
178.2631 -74.75835      115.2488 25.16980 10.39660 15.82187 7.322230 9.347935 
12.71630 
1 1 1 7   4   34 o 74.68496 4.782608  1241.265       133.3781 1341.015       
257.6382 1204.742       155.8948 75.35015 8.144175 74.01977 5.016549 1.330383 
9.565215 
1 1 1 7   4   35 o 25.75247 6.701457  159.3795       103.5834 -23.26267      
203.0911 223.5962       120.4243 21.92682 9.983913 29.57812 8.942011 -7.651297 
13.40291 
1 1 1 7   4   36 o 39.79272 7.248541  444.8005       114.1849 417.3579       
236.5911 453.1337       130.3738 35.99916 12.62558 43.58629 7.124618 -7.587128 
14.49708 
1 1 1 7   4   37 o 35.11329 5.548225  343.0089       116.5432 -103.9985      
179.8409 666.6370       153.0221 18.07505 8.618972 52.15153 6.988887 -34.07648 
11.09645 
1 1 1 7   4   38 o 19.80391 6.055532  60.53196       97.99876 -96.06394      
182.0647 124.4091       116.2808 17.72789 8.505344 21.87993 8.621892 -4.152042 
12.11106 
1 1 1 7   5   0  o 103.8491 2.505683  2228.964       105.8307 2126.478       
132.6243 2408.625       175.5967 100.6227 3.139410 107.0755 3.906136 -6.452751 
5.011366 
1 1 1 7   5   1  o 128.4693 2.277985  3444.995       122.4818 3770.619       
181.9143 3174.975       165.6558 133.9879 3.233868 122.9507 3.209198 11.03716 
4.555970 
1 1 1 7   5   2  o 332.2469 4.641496  23173.71       573.8709 23116.09       
670.6583 23331.26       1108.929 331.6461 4.816677 332.8477 7.935589 -1.201599 
9.282992 
1 1 1 7   5   3  o 139.4432 2.687070  4085.678       157.2503 4123.479       
219.9917 4046.188       224.8594 140.1045 3.740032 138.7819 3.859216 1.322525 
5.374141 
1 1 1 7   5   4  o 131.7300 2.871568  3648.464       158.4863 3600.627       
230.8292 3691.126       217.9886 130.9087 4.199942 132.5514 3.917153 -1.642731 
5.743135 
1 1 1 7   5   5  o 122.9539 2.960004  3176.558       152.7790 3120.883       
216.0548 3232.241       216.0696 121.8753 4.222495 124.0325 4.149341 -2.157234 
5.920008 
1 1 1 7   5   6  o 46.37242 2.898674  450.0821       56.28681 474.9062       
83.34433 429.2652       76.32162 47.54282 4.175536 45.20203 4.021710 2.340790 
5.797349 
1 1 1 7   5   7  o 106.9523 2.866555  2406.316       128.5430 2487.870       
179.2982 2320.071       184.3829 108.8221 3.924460 105.0826 4.179374 3.739525 
5.733110 
1 1 1 7   5   8  o 306.0282 3.920757  19673.67       503.1264 19364.03       
692.2765 20020.32       732.4808 303.4879 5.433244 308.5685 5.654130 -5.080505 
7.841513 
1 1 1 7   5   9  o 308.7463 5.043818  19798.22       539.3334 19597.91       
608.2403 20535.04       1166.570 305.3693 4.744287 312.1234 8.902368 -6.754120 
10.08764 
1 1 1 7   5   10 f 308.0066 5.277185  20066.50       599.7114 20170.37       
698.8669 19776.37       1168.003 309.7430 5.374202 306.2702 9.083651 3.472839 
10.55437 
1 1 1 7   5   11 o 163.9202 3.557578  5609.872       237.4214 5495.670       
299.5903 5802.695       389.2864 161.7183 4.412551 166.1222 5.581652 -4.403900 
7.115157 
1 1 1 7   5   12 o 186.6962 2.317115  7321.008       181.6168 7266.599       
256.3889 7375.805       257.3033 185.9998 3.283279 187.3927 3.270498 -1.392853 
4.634229 
1 1 1 7   5   13 o 85.12525 2.432688  1520.260       86.85997 1564.198       
126.1767 1480.683       119.7521 86.29217 3.482801 83.95834 3.397350 2.333832 
4.865377 
1 1 1 7   5   14 o 436.0235 14.19363  40740.17       2430.613 41248.38       
4275.969 40497.57       2954.334 436.2110 23.34850 435.8360 16.14573 0.3750000 
28.38727 
1 1 1 7   5   15 o 67.17726 7.300989  950.5369       205.9126 0.000000       
0.000000 950.5369       205.9126 ?        ?        67.17726 7.300989 ? ? 
1 1 1 7   5   16 o 123.5056 4.407642  3173.441       208.9480 3302.782       
386.7318 3120.119       248.3108 125.1960 7.357675 121.8152 4.855291 3.380806 
8.815284 
1 1 1 7   5   17 o 72.39243 4.745517  1166.401       134.3676 907.9340       
220.4785 1319.121       169.4774 65.59639 8.005848 79.18847 5.097660 -13.59208 
9.491035 
1 1 1 7   5   18 o 29.07606 6.525218  113.5516       90.89470 323.1501       
167.4656 26.01777       108.2230 38.37111 10.21256 19.78101 8.125110 18.59009 
13.05044 
1 1 1 7   5   19 f 222.2937 6.154068  10506.49       498.2643 10375.57       
989.1403 10551.01       576.7893 220.8793 10.66655 223.7080 6.141250 -2.828705 
12.30814 
1 1 1 7   5   20 o 191.9683 4.595714  7572.236       310.7387 8172.609       
662.2952 7402.768       351.8726 196.4131 8.031604 187.5235 4.469415 8.889542 
9.191427 
1 1 1 7   5   21 o 57.93307 3.582869  737.2733       83.19434 584.2905       
130.2106 842.8038       108.1468 52.59586 5.896792 63.27028 4.071320 -10.67442 
7.165738 
1 1 1 7   5   22 o 55.72542 3.499000  633.3195       80.02402 761.1787       
131.1603 557.4998       101.0014 60.03938 5.203402 51.41146 4.679381 8.627911 
6.998000 
1 1 1 7   5   23 o 92.32212 2.972494  1742.631       102.8640 1919.388       
200.6286 1679.597       119.8096 95.31250 5.013766 89.33174 3.194530 5.980759 
5.944987 
1 1 1 7   5   24 o 132.3027 3.849098  3794.994       199.2413 3444.254       
343.3853 3973.005       244.6315 127.3718 6.421394 137.2337 4.245930 -9.861832 
7.698196 
1 1 1 7   5   25 f 146.9733 4.134048  4447.394       212.5745 4812.790       
457.3874 4346.723       240.0785 150.3550 7.245818 143.5915 3.982406 6.763489 
8.268097 
1 1 1 7   5   26 o 52.09843 4.083679  548.0292       78.88389 634.1826       
158.1310 519.4868       91.01768 54.58792 6.899881 49.60895 4.370054 4.978977 
8.167357 
1 1 1 7   5   27 o 134.4473 3.695613  3667.427       175.6100 4142.183       
376.1205 3535.082       198.5840 139.4361 6.424996 129.4585 3.653718 9.977646 
7.391226 
1 1 1 7   5   28 f 22.04413 6.056428  17.60743       73.70953 171.1026       
151.7663 -29.77653      84.32255 29.11686 10.12154 14.97140 6.653996 14.14546 
12.11286 
1 1 1 7   5   29 o 68.44365 3.859298  1027.814       96.61507 942.6129       
186.5428 1059.047       112.9438 66.15373 6.716533 70.73357 3.803276 -4.579834 
7.718596 
1 1 1 7   5   30 o 83.04227 4.212306  1510.012       123.9865 1434.414       
252.6235 1534.000       142.3047 81.08185 7.421148 85.00269 3.987563 -3.920837 
8.424613 
1 1 1 7   5   31 o 89.16363 7.685281  1759.027       287.6911 1759.027       
287.6911 0.000000       0.000000 89.16363 7.685281 ?        ?        ? ? 
1 1 1 7   5   32 o 37.34324 6.638711  302.4612       91.75164 404.7609       
190.9037 271.7325       104.6282 40.40722 10.97185 34.27927 7.477194 6.127945 
13.27742 
1 1 1 7   5   33 o 112.2338 3.908809  2806.211       180.1005 2489.691       
274.8110 3044.501       238.4440 106.0033 6.174985 118.4644 4.794238 -12.46114 
7.817618 
1 1 1 7   5   34 o 73.46201 4.634932  1241.067       129.6852 1158.307       
233.6221 1277.927       155.9130 70.48515 7.894731 76.43887 4.858353 -5.953720 
9.269863 
1 1 1 7   5   35 o 21.51004 6.595760  39.48204       100.8629 49.49872       
190.8949 35.60262       118.7999 23.47440 10.25257 19.54568 8.300660 3.928719 
13.19152 
1 1 1 7   5   36 o 23.94394 6.995997  76.85372       104.0669 224.1497       
199.0505 21.44768       122.0805 28.97612 11.31591 18.91176 8.229583 10.06436 
13.99199 
1 1 1 7   5   37 o 24.15010 6.849898  134.6922       101.6099 165.4707       
174.3266 118.8551       125.0483 25.56589 10.37511 22.73430 8.946590 2.831589 
13.69980 
1 1 1 7   5   38 o 33.93050 5.540775  357.7355       113.0004 -80.76049      
185.6285 615.8959       142.4317 18.26002 8.718897 49.60098 6.839706 -31.34096 
11.08155 
1 1 1 7   6   0  o 187.8109 2.597661  7421.888       204.4437 7676.957       
283.8393 7146.885       294.7218 191.1747 3.536415 184.4472 3.805934 6.727463 
5.195322 
1 1 1 7   6   1  o 208.0141 2.912306  9038.796       250.2087 8811.274       
323.9548 9375.192       393.9120 204.8031 3.767636 211.2251 4.441961 -6.422012 
5.824611 
1 1 1 7   6   2  o 185.3933 3.061045  7103.883       234.5697 6596.832       
301.9649 7875.442       372.4905 177.1983 4.058988 193.5883 4.583077 -16.38992 
6.122090 
1 1 1 7   6   3  o 59.85772 2.402062  747.7198       60.11843 701.2986       
80.68742 805.6490       90.13567 57.78350 3.326006 61.93193 3.466595 -4.148438 
4.804123 
1 1 1 7   6   4  o 146.5226 2.868331  4517.087       174.1301 4469.182       
268.1832 4552.003       228.9569 145.8397 4.380027 147.2055 3.704682 -1.365723 
5.736663 
1 1 1 7   6   5  o 135.0081 2.425432  3688.220       124.7490 3509.258       
146.4365 4161.765       238.2041 129.2713 2.698164 140.7450 4.031227 -11.47379 
4.850863 
1 1 1 7   6   6  o 98.61666 2.528327  2046.884       104.1595 1796.769       
146.2014 2304.687       148.4314 92.48328 3.765385 104.7500 3.375147 -12.26675 
5.056653 
1 1 1 7   6   7  o 266.1652 4.207892  14954.61       462.0946 15212.87       
603.1038 14587.46       719.0912 269.0057 5.340127 263.3246 6.504496 5.681152 
8.415784 
1 1 1 7   6   8  o 158.7166 3.200665  5312.646       204.2801 5360.672       
255.2212 5227.026       340.7729 159.7431 3.805536 157.6902 5.147323 2.052917 
6.401331 
1 1 1 7   6   9  o 164.9003 3.152168  5261.881       161.9956 6409.809       
417.6845 5058.636       175.7525 174.5942 5.698225 155.2064 2.697198 19.38780 
6.304336 
1 1 1 7   6   10 o 304.7352 5.798494  19436.19       711.2169 19125.26       
884.2293 20005.96       1196.981 301.4533 6.986600 308.0171 9.256216 -6.563782 
11.59699 
1 1 1 7   6   11 o 162.4522 3.771069  5523.764       255.0341 5731.565       
389.7052 5368.100       337.2914 165.0990 5.622286 159.8055 5.027299 5.293488 
7.542138 
1 1 1 7   6   12 o 555.5653 11.23473  65612.33       2605.062 66396.02       
3910.946 64987.30       3492.664 558.1512 16.68979 552.9794 15.04419 5.171753 
22.46947 
1 1 1 7   6   13 o 168.7384 2.178543  5965.501       152.5843 6075.871       
235.0870 5885.161       200.5730 170.0773 3.292331 167.3996 2.853902 2.677689 
4.357086 
1 1 1 7   6   14 o 308.0674 8.627731  20060.54       1040.699 20204.93       
1842.280 19992.88       1261.207 308.3934 14.22891 307.7415 9.761612 0.6519470 
17.25546 
1 1 1 7   6   15 f 336.6030 16.15288  24175.73       2282.690 0.000000       
0.000000 24175.73       2282.690 ?        ?        336.6030 16.15288 ? ? 
1 1 1 7   6   16 o 166.8979 4.141740  5866.044       286.0970 5831.397       
442.7934 5890.874       374.8467 166.4409 6.336686 167.3550 5.335021 
-0.9140778     8.283480 
1 1 1 7   6   17 o 416.1834 13.07162  37289.52       2084.833 37444.58       
3822.659 37223.87       2487.322 414.5565 21.96357 417.8103 14.17992 -3.253815 
26.14324 
1 1 1 7   6   18 o 195.8311 3.779997  7957.766       279.1108 8330.156       
533.0632 7817.112       327.6082 198.8334 6.385727 192.8288 4.046726 6.004608 
7.559994 
1 1 1 7   6   19 o 132.5594 3.644555  3676.213       188.1965 3761.915       
337.8940 3637.671       226.5972 133.6014 6.024076 131.5175 4.103856 2.083908 
7.289111 
1 1 1 7   6   20 o 185.4312 5.266460  7024.854       350.2721 7754.393       
730.9059 6807.356       399.0844 191.1240 9.108931 179.7385 5.288648 11.38545 
10.53292 
1 1 1 7   6   21 o 106.1797 3.081462  2317.150       122.4044 2500.393       
238.4224 2251.565       142.6369 108.8879 5.215410 103.4715 3.283464 5.416367 
6.162924 
1 1 1 7   6   22 o 122.1105 3.064320  3141.434       154.0805 3146.997       
242.9177 3137.690       199.3036 122.1546 4.736642 122.0665 3.889016 
0.8807373E-01  6.128640 
1 1 1 7   6   23 o 245.4963 4.883452  12883.26       475.1253 12551.39       
814.2895 13054.56       585.0400 242.5916 7.995105 248.4010 5.609876 -5.809479 
9.766904 
1 1 1 7   6   24 o 117.5165 3.568254  2977.775       164.4795 2749.760       
283.5786 3093.371       201.9128 113.9028 5.930077 121.1303 3.970381 -7.227509 
7.136507 
1 1 1 7   6   25 o 85.70885 2.984288  1503.721       98.72578 1665.510       
183.4609 1437.772       117.1316 88.78446 4.921841 82.63325 3.376295 6.151215 
5.968575 
1 1 1 7   6   26 o 62.83989 3.995164  853.4039       89.65398 803.6628       
180.9517 869.5867       103.2129 61.44993 7.013944 64.22986 3.827524 -2.779930 
7.990329 
1 1 1 7   6   27 o 152.5813 3.408436  4743.405       198.4573 5363.425       
377.7374 4507.010       233.2418 158.9897 5.659031 146.1729 3.800674 12.81682 
6.816873 
1 1 1 7   6   28 o 90.63287 3.456022  1772.951       112.6299 1682.049       
225.4343 1803.189       130.0203 88.80954 6.046186 92.45621 3.349626 -3.646667 
6.912045 
1 1 1 7   6   29 o 91.97613 3.244397  1749.957       102.1459 1877.811       
225.9424 1717.113       114.5168 93.73551 5.741358 90.21674 3.023452 3.518768 
6.488794 
1 1 1 7   6   30 o 31.58442 6.119281  219.7582       74.69781 231.0728       
154.9090 216.3303       85.26576 32.11004 10.22288 31.05881 6.728683 1.051233 
12.23856 
1 1 1 7   6   31 o 92.77678 4.064898  1786.092       133.6331 1995.158       
283.5647 1726.406       151.5126 95.47926 7.073986 90.07430 4.006535 5.404953 
8.129797 
1 1 1 7   6   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   6   33 o 125.3026 4.204740  3432.133       202.0328 3512.282       
370.7682 3398.285       240.9458 125.1553 7.056256 125.4499 4.574777 
-0.2946548     8.409479 
1 1 1 7   6   34 o 37.02305 6.847320  357.3319       103.2223 295.0236       
194.3771 381.8046       121.8183 33.73914 11.47201 40.30696 7.479049 -6.567814 
13.69464 
1 1 1 7   6   35 o 42.21101 6.399290  533.7355       110.6702 218.1842       
201.2378 670.5502       132.5076 29.71642 11.42444 54.70560 5.769393 -24.98918 
12.79858 
1 1 1 7   6   36 o 28.96360 6.795760  231.5886       108.2584 44.05562       
201.1860 308.0203       128.4386 23.35498 10.34178 34.57223 8.819128 -11.21725 
13.59152 
1 1 1 7   6   37 o 41.33782 5.549234  529.2249       111.9377 26.04166       
177.7321 860.0411       144.1107 21.39868 9.581070 61.27697 5.601703 -39.87829 
11.09847 
1 1 1 7   6   38 o 18.14461 5.875234  -0.5086479     92.67811 -10.61779      
175.9982 3.370086       109.0174 19.53288 9.043063 16.75634 7.503100 2.776545 
11.75047 
1 1 1 7   7   0  o 84.80734 1.975125  1508.179       70.22305 1549.614       
102.6154 1471.683       96.30544 85.90063 2.845361 83.71407 2.740144 2.186562 
3.950249 
1 1 1 7   7   1  o 150.3771 2.649361  4741.366       166.8149 4634.528       
226.6588 4867.624       246.3995 148.5356 3.634655 152.2186 3.855612 -3.683014 
5.298722 
1 1 1 7   7   2  o 193.9418 2.713001  7890.955       217.8419 7837.701       
284.8549 7965.976       338.0901 193.1666 3.512471 194.7170 4.135705 -1.550430 
5.426003 
1 1 1 7   7   3  o 184.4677 2.943700  7161.688       214.4632 7185.581       
262.3217 7113.529       372.4315 184.9605 3.378129 183.9749 4.821798 0.9856567 
5.887401 
1 1 1 7   7   4  f 196.7467 2.368970  8132.883       195.5496 8202.729       
272.2954 8058.495       281.0082 197.6216 3.281912 195.8719 3.417181 1.749741 
4.737939 
1 1 1 7   7   5  o 54.50550 2.490714  625.1250       56.88732 600.4868       
81.95927 648.0293       79.02271 53.46607 3.651244 55.54494 3.388664 -2.078869 
4.981428 
1 1 1 7   7   6  o 241.7346 4.339639  12327.21       425.8317 12436.50       
538.7767 12145.30       695.0848 243.2276 5.276148 240.2415 6.891453 2.986053 
8.679277 
1 1 1 7   7   7  o 51.39848 2.731461  557.6656       58.63739 591.3588       
80.59452 519.7709       85.47182 53.05838 3.618034 49.73857 4.093084 3.319809 
5.462921 
1 1 1 7   7   8  o 126.4047 2.806496  3351.000       145.6873 3384.787       
232.0421 3329.016       187.1781 126.9192 4.354725 125.8902 3.541475 1.028984 
5.612991 
1 1 1 7   7   9  o 64.23566 2.568805  845.4769       68.01836 977.7461       
109.5409 762.4760       86.77381 68.22165 3.824506 60.24968 3.430481 7.971970 
5.137611 
1 1 1 7   7   10 f 405.3842 7.789910  34721.73       1325.365 34599.77       
1896.978 34838.04       1852.510 404.6534 11.16607 406.1151 10.86507 -1.461731 
15.57982 
1 1 1 7   7   11 o 96.72968 2.576157  1904.464       98.34879 2142.573       
175.8814 1796.143       118.6285 100.9817 4.148571 92.47769 3.055436 8.503967 
5.152313 
1 1 1 7   7   12 o 166.6725 1.987978  5787.084       133.1727 5994.642       
225.2434 5675.537       165.1250 168.9417 3.175677 164.4034 2.392342 4.538284 
3.975956 
1 1 1 7   7   13 o 490.5196 7.222851  50975.75       1436.467 50148.02       
2349.800 51469.65       1815.124 486.9453 11.49402 494.0939 8.750196 -7.148621 
14.44570 
1 1 1 7   7   14 o 547.4393 14.10061  63877.16       2903.354 65574.56       
5523.936 63229.27       3412.760 549.6389 23.93824 545.2397 14.90869 4.399170 
28.20121 
1 1 1 7   7   15 o 233.4435 8.370986  11490.07       820.4222 0.000000       
0.000000 11490.07       820.4222 ?        ?        233.4435 8.370986 ? ? 
1 1 1 7   7   16 o 292.4970 8.798113  18077.94       960.7971 18308.07       
1847.154 17992.57       1124.956 293.0684 15.01257 291.9256 9.178772 1.142822 
17.59623 
1 1 1 7   7   17 o 189.1519 4.963779  7608.299       347.2953 7392.308       
671.1873 7687.272       405.8501 187.1286 8.543279 191.1752 5.056559 -4.046616 
9.927558 
1 1 1 7   7   18 f 71.84868 3.223848  1106.653       88.08857 1035.588       
161.2230 1136.896       105.1755 70.14287 5.474754 73.55449 3.405856 -3.411621 
6.447696 
1 1 1 7   7   19 o 159.1570 3.407068  5323.503       215.3522 5352.993       
370.9218 5308.507       264.4960 159.4249 5.541752 158.8891 3.965026 0.5358582 
6.814137 
1 1 1 7   7   20 o 157.5094 3.513600  5225.982       205.4296 5222.330       
397.7223 5227.312       239.9100 157.3523 6.020434 157.6664 3.624350 
-0.3141174     7.027200 
1 1 1 7   7   21 o 104.3125 3.616985  2197.560       139.7446 2499.861       
279.7737 2097.065       161.3086 108.7956 6.125148 99.82941 3.848752 8.966179 
7.233971 
1 1 1 7   7   22 o 84.52797 3.293677  1498.536       111.2199 1531.912       
189.9618 1481.128       137.1928 85.18526 5.311569 83.87068 3.896210 1.314575 
6.587353 
1 1 1 7   7   23 o 60.03235 3.256748  730.0515       77.71333 854.0410       
137.8975 672.3451       94.07526 63.57850 5.166153 56.48620 3.966926 7.092300 
6.513497 
1 1 1 7   7   24 o 117.6321 3.387589  2977.943       143.5446 2814.773       
286.5252 3032.619       165.8600 115.2470 5.921807 120.0172 3.291691 -4.770195 
6.775177 
1 1 1 7   7   25 o 124.7165 2.746350  3102.001       113.6457 3572.215       
266.8378 2997.810       125.6071 130.0314 4.887876 119.4015 2.505679 10.62990 
5.492701 
1 1 1 7   7   26 o 126.8928 3.691733  3290.975       169.0810 3632.387       
349.5720 3186.710       193.1814 130.8133 6.365108 122.9724 3.741785 7.840912 
7.383465 
1 1 1 7   7   27 o 34.13528 5.991311  218.7943       75.55325 357.6908       
158.6951 178.0842       85.91491 39.92181 9.576860 28.34875 7.201874 11.57306 
11.98262 
1 1 1 7   7   28 o 114.6786 2.812979  2804.837       118.1387 2724.594       
231.7117 2833.024       137.3287 113.3752 4.868002 115.9820 2.820276 -2.606789 
5.625958 
1 1 1 7   7   29 o 124.8278 3.459776  3413.785       168.7648 3016.750       
288.9987 3619.243       207.8949 118.8397 5.792359 130.8159 3.785337 -11.97620 
6.919552 
1 1 1 7   7   30 o 85.62733 3.542614  1508.998       106.6222 1665.936       
228.7096 1465.419       120.5201 88.01752 6.189225 83.23716 3.448762 4.780357 
7.085229 
1 1 1 7   7   31 o 90.32742 3.429570  1618.778       108.2915 1981.174       
239.4048 1525.555       121.4239 95.79948 5.952383 84.85535 3.408363 10.94412 
6.859140 
1 1 1 7   7   32 o 70.75817 4.175018  1104.353       94.42699 1062.333       
220.8178 1113.756       104.4596 69.11382 7.610098 72.40253 3.436496 -3.288712 
8.350036 
1 1 1 7   7   33 o 52.98045 5.725293  614.1868       127.3481 0.000000       
0.000000 614.1868       127.3481 ?        ?        52.98045 5.725293 ? ? 
1 1 1 7   7   34 o 29.47050 6.531673  224.9231       100.2467 29.43362       
189.5784 300.8023       118.1105 23.50129 10.24115 35.43971 8.109857 -11.93842 
13.06335 
1 1 1 7   7   35 o 34.62231 7.326907  289.7497       104.3629 379.6285       
205.0463 258.3259       121.2419 37.06137 11.75762 32.18325 8.746008 4.878117 
14.65381 
1 1 1 7   7   36 o 59.69592 5.712631  887.5424       118.5573 799.2222       
227.0486 920.6511       139.0141 55.09937 10.19865 64.29246 5.150151 -9.193085 
11.42526 
1 1 1 7   7   37 o 38.42732 5.169832  470.3633       105.3586 -91.61781      
180.4875 760.8477       129.7620 18.86636 8.860000 57.98829 5.330014 -39.12193 
10.33966 
1 1 1 7   7   38 o 23.23076 6.487203  136.3120       93.56847 63.29095       
180.7420 163.0470       109.3642 21.84628 9.724719 24.61525 8.588657 -2.768970 
12.97441 
1 1 1 7   7   39 o 22.77177 6.720275  91.76939       97.25331 275.4903       
187.3401 23.99249       113.7869 28.02917 10.97147 17.51437 7.763720 10.51480 
13.44055 
1 1 1 7   8   0  o 60.25307 2.175286  741.0739       54.15249 645.8422       
69.44991 888.7714       86.49033 55.45467 2.983009 65.05148 3.166879 -9.596809 
4.350571 
1 1 1 7   8   1  o 241.2140 3.441349  12253.23       344.5884 12396.44       
455.9327 12062.46       526.2364 242.8840 4.471189 239.5439 5.232591 3.340027 
6.882698 
1 1 1 7   8   2  o 204.1280 3.026550  8811.384       256.3644 9170.332       
341.7740 8349.600       387.6524 208.9284 3.896391 199.3276 4.632295 9.600861 
6.053100 
1 1 1 7   8   3  o 307.1604 3.835411  19698.33       461.0071 20212.51       
821.4166 19461.90       557.0025 309.9837 6.311691 304.3371 4.359365 5.646576 
7.670822 
1 1 1 7   8   4  o 122.0958 2.270573  3121.669       115.6883 3050.023       
154.5312 3213.026       174.4985 120.5098 3.054322 123.6818 3.360523 -3.172012 
4.541145 
1 1 1 7   8   5  o 134.3990 2.645716  3782.643       147.3422 3722.806       
192.6839 3866.901       228.6482 133.1304 3.447381 135.6676 4.014326 -2.537186 
5.291431 
1 1 1 7   8   6  o 201.4908 3.363622  8577.470       253.8208 8432.229       
482.6950 8632.979       298.4081 200.2517 5.741398 202.7298 3.506017 -2.478104 
6.727243 
1 1 1 7   8   7  o 244.5439 2.481834  12472.14       250.7623 12081.53       
324.5426 13050.81       395.0159 239.8387 3.223099 249.2491 3.774870 -9.410370 
4.963669 
1 1 1 7   8   8  o 525.5095 5.322158  57993.27       1151.612 57389.80       
1486.077 58900.46       1822.051 522.2427 6.777820 528.7763 8.207474 -6.533630 
10.64432 
1 1 1 7   8   9  o 133.4195 2.736386  3660.894       146.5127 4003.099       
251.5458 3485.198       180.2420 138.0252 4.340899 128.8138 3.332841 9.211456 
5.472772 
1 1 1 7   8   10 o 181.7776 2.412467  6940.420       182.1296 6941.999       
278.7812 6939.244       240.5641 181.7874 3.652757 181.7677 3.152355 
0.1962280E-01  4.824933 
1 1 1 7   8   11 o 250.7437 4.465409  13150.26       439.4628 13440.79       
777.8134 13014.03       532.6224 252.6725 7.332273 248.8150 5.098753 3.857468 
8.930818 
1 1 1 7   8   12 o 184.7706 3.149350  7155.328       234.4590 7242.355       
392.1760 7106.923       292.4836 185.6146 5.032572 183.9266 3.787723 1.688019 
6.298700 
1 1 1 7   8   13 o 462.7638 7.330055  45220.60       1173.156 45244.02       
2517.964 45214.10       1325.856 462.0398 12.98049 463.4878 6.813638 -1.447968 
14.66011 
1 1 1 7   8   14 o 80.32611 3.556891  1328.958       101.6627 1408.593       
212.8156 1305.413       115.7202 81.82230 6.195165 78.82993 3.496547 2.992378 
7.113782 
1 1 1 7   8   15 o 200.6418 5.979698  8436.082       444.9841 8601.638       
866.7778 8376.833       518.5310 201.7612 10.23273 199.5224 6.190193 2.238785 
11.95940 
1 1 1 7   8   16 o 149.9947 3.169363  4808.242       178.7450 4550.697       
334.4072 4911.255       211.4925 147.0884 5.415247 152.9010 3.294623 -5.812576 
6.338726 
1 1 1 7   8   17 o 218.2227 3.980124  9983.711       331.2335 10110.21       
615.8281 9932.217       392.9084 219.0812 6.695383 217.3642 4.305509 1.717041 
7.960248 
1 1 1 7   8   18 o 217.4688 4.305786  9883.939       331.8685 10103.91       
692.3505 9818.321       378.1411 218.8365 7.535762 216.1011 4.167907 2.735458 
8.611571 
1 1 1 7   8   19 o 284.3796 6.241783  17143.21       686.7451 17048.32       
1238.649 17185.32       825.1870 283.3536 10.41215 285.4057 6.886694 -2.052094 
12.48357 
1 1 1 7   8   20 o 165.5043 4.593779  5662.203       276.9193 6022.462       
560.1811 5545.695       318.5656 168.7001 7.909229 162.3086 4.674966 6.391541 
9.187557 
1 1 1 7   8   21 o 202.7828 3.855918  8685.737       327.7791 8286.624       
468.7356 9067.664       458.5322 198.1852 5.633493 207.3803 5.266514 -9.195129 
7.711836 
1 1 1 7   8   22 f 164.5363 4.098781  5749.365       258.6746 5648.266       
472.3026 5792.685       309.1670 163.2754 6.890021 165.7971 4.441577 -2.521698 
8.197561 
1 1 1 7   8   23 o 91.93139 2.807050  1816.437       94.24503 1707.875       
184.1364 1854.971       109.7031 89.94561 4.876191 93.91717 2.782243 -3.971558 
5.614100 
1 1 1 7   8   24 f 104.3105 3.357223  2271.314       121.6897 2345.781       
261.5368 2250.739       137.4776 105.2138 5.920812 103.4072 3.166667 1.806625 
6.714446 
1 1 1 7   8   25 o 124.8151 3.061612  3322.682       137.4655 3217.003       
276.7491 3357.296       158.3861 123.3178 5.345416 126.3124 2.986705 -2.994583 
6.123225 
1 1 1 7   8   26 f 84.88333 3.268084  1590.813       103.3658 1366.371       
190.7561 1684.110       122.9873 80.32817 5.656290 89.43849 3.275342 -9.110321 
6.536167 
1 1 1 7   8   27 o 148.9188 3.913084  4832.233       226.9877 4326.121       
392.7802 5086.013       278.1345 142.6165 6.559958 155.2212 4.268004 -12.60477 
7.826168 
1 1 1 7   8   28 o 81.52789 3.412187  1384.120       98.54528 1453.015       
206.8394 1363.890       112.0838 82.62370 5.962794 80.43208 3.319211 2.191628 
6.824373 
1 1 1 7   8   29 o 115.1420 3.602261  2654.221       140.7392 3107.802       
321.3566 2546.576       156.5513 120.4594 6.354297 109.8246 3.395298 10.63482 
7.204522 
1 1 1 7   8   30 o 98.18074 3.211711  2068.366       109.8661 2013.833       
231.4538 2084.228       124.8252 96.99044 5.684031 99.37104 2.992013 -2.380600 
6.423422 
1 1 1 7   8   31 o 14.35673 4.880404  -93.36578      63.69562 -154.0245      
153.0913 -80.66698      70.04631 17.21985 8.107425 11.49360 5.435353 5.726247 
9.760809 
1 1 1 7   8   32 o 59.66373 3.979473  785.0516       84.21674 741.2520       
170.9366 799.0909       96.77732 58.04975 7.013838 61.27772 3.761769 -3.227974 
7.958947 
1 1 1 7   8   33 o 29.20302 7.356234  177.2499       103.5765 227.9600       
201.8744 159.1310       120.6701 31.73247 11.60838 26.67357 9.038925 5.058895 
14.71247 
1 1 1 7   8   34 o 30.64344 6.541586  69.11289       102.0512 527.9557       
204.1100 -83.81928      117.8370 45.49769 10.82739 15.78920 7.344182 29.70849 
13.08317 
1 1 1 7   8   35 o 22.80286 6.811917  52.16514       101.6628 120.4516       
192.5070 25.75544       119.7184 26.20691 10.81268 19.39882 8.288231 6.808092 
13.62383 
1 1 1 7   8   36 o 29.66631 7.630533  169.8491       105.2359 390.4285       
230.1413 111.5343       118.3317 36.33788 12.48005 22.99475 8.783417 13.34313 
15.26107 
1 1 1 7   8   37 o 35.56233 4.563074  419.5401       101.8348 -450.2266      
206.9841 697.3096       116.9709 15.28309 7.641547 55.84156 4.989322 -40.55846 
9.126148 
1 1 1 7   8   38 o 44.62267 5.945407  660.9261       105.1602 210.7417       
185.8818 872.8345       127.5310 27.15703 10.83768 62.08830 4.892456 -34.93127 
11.89081 
1 1 1 7   8   39 o 34.71744 5.315054  410.5584       105.7296 -76.93546      
190.8056 626.5714       127.0124 18.45704 8.819333 50.97783 5.934525 -32.52079 
10.63011 
1 1 1 7   9   0  o 288.6965 3.203321  17527.06       379.1203 17572.51       
486.6157 17456.86       604.7495 289.2070 4.007730 288.1860 4.998315 1.020935 
6.406641 
1 1 1 7   9   1  o 273.4960 3.636992  15647.39       405.4016 15412.51       
513.0276 16037.93       661.5226 270.8200 4.512125 276.1720 5.705399 -5.352051 
7.273984 
1 1 1 7   9   2  o 311.2535 3.649108  20429.56       452.1288 20159.89       
771.4183 20570.67       558.0197 309.6143 5.934579 312.8927 4.247908 -3.278381 
7.298216 
1 1 1 7   9   3  f 196.8925 2.620685  8047.184       207.1129 7825.275       
255.9202 8468.387       352.5846 193.0246 3.158005 200.7605 4.183177 -7.735870 
5.241371 
1 1 1 7   9   4  o 191.3851 3.568749  7687.040       285.6598 7833.106       
424.6128 7566.271       386.0964 193.0336 5.239397 189.7367 4.846916 3.296844 
7.137498 
1 1 1 7   9   5  o 40.18808 3.071661  342.4225       51.36099 303.4821       
74.74886 377.2503       70.69164 38.00093 4.685235 42.37523 3.973535 -4.374298 
6.143322 
1 1 1 7   9   6  o 236.5871 4.293873  11766.95       426.4011 11474.24       
595.7509 12074.39       610.5664 233.5716 6.075271 239.6026 6.069633 -6.030945 
8.587746 
1 1 1 7   9   7  o 318.2294 4.706551  21476.28       574.7702 20889.01       
1046.514 21729.94       687.7913 314.9372 7.914838 321.5215 5.095276 -6.584290 
9.413102 
1 1 1 7   9   8  o 363.2266 6.326550  27825.10       963.8907 27464.64       
1387.907 28160.94       1339.667 360.9166 9.159561 365.5367 8.729454 -4.620087 
12.65310 
1 1 1 7   9   9  o 284.1967 5.649532  17003.64       673.3528 17184.22       
977.4219 16840.53       928.9551 285.6124 8.151285 282.7809 7.824666 2.831573 
11.29906 
1 1 1 7   9   10 o 422.5939 5.401005  37579.18       949.7155 37801.75       
1444.485 37409.71       1260.448 423.6092 8.122107 421.5785 7.121434 2.030670 
10.80201 
1 1 1 7   9   11 o 121.0927 2.161345  3080.010       106.6587 3078.312       
173.0363 3081.051       135.4503 121.0583 3.404581 121.1270 2.663545 
-0.6868744E-01 4.322690 
1 1 1 7   9   12 o 239.1463 4.173719  11924.92       387.6048 12301.20       
701.3268 11759.44       465.0897 241.7531 6.909862 236.5394 4.683325 5.213730 
8.347438 
1 1 1 7   9   13 o 112.0065 2.320287  2513.813       99.99872 2937.893       
188.9879 2348.912       117.8477 118.2531 3.806647 105.7599 2.654123 12.49324 
4.640574 
1 1 1 7   9   14 o 248.6078 8.781619  13087.27       916.2515 13368.09       
1317.395 12824.16       1275.186 251.1759 12.49278 246.0398 12.34494 5.136093 
17.56324 
1 1 1 7   9   15 o 260.7181 6.731952  14356.65       646.4306 14339.34       
1266.083 14362.76       751.8094 260.2522 11.58747 261.1840 6.856182 
-0.9317322     13.46390 
1 1 1 7   9   16 o 171.2718 4.685355  6255.328       305.9920 5986.089       
560.7841 6369.476       365.1399 168.5021 7.927046 174.0414 4.997212 -5.539322 
9.370709 
1 1 1 7   9   17 o 480.5854 12.61824  49608.89       2316.414 49860.69       
4272.936 49504.10       2756.633 479.0198 21.24682 482.1510 13.61811 -3.131165 
25.23649 
1 1 1 7   9   18 o 121.3552 2.927176  2952.894       137.2197 3461.514       
257.6390 2751.480       162.1284 128.2811 4.783765 114.4292 3.374765 13.85197 
5.854353 
1 1 1 7   9   19 o 230.3809 5.199211  11118.85       413.7828 11358.77       
894.2309 11053.48       466.7591 231.5786 9.197555 229.1833 4.850996 2.395294 
10.39842 
1 1 1 7   9   20 o 82.20576 3.100214  1382.042       99.62668 1531.097       
180.9216 1317.174       119.3522 85.26396 5.054124 79.14756 3.591816 6.116402 
6.200429 
1 1 1 7   9   21 o 122.6061 3.639853  3171.579       172.1243 3161.377       
312.5166 3176.021       206.2214 122.3634 6.083348 122.8488 3.998376 
-0.4854431     7.279707 
1 1 1 7   9   22 o 127.0866 2.456074  3383.553       121.6201 3437.851       
217.8990 3358.983       146.5761 127.7696 4.062084 126.4036 2.762007 1.365974 
4.912149 
1 1 1 7   9   23 f 116.4228 3.437742  2717.559       138.0208 3117.206       
307.2832 2616.552       154.4809 121.3427 6.031790 111.5030 3.299966 9.839706 
6.875483 
1 1 1 7   9   24 o 161.2005 4.363303  5498.236       236.6059 5530.925       
527.4765 5490.001       264.7334 161.0118 7.803087 161.3893 3.907105 
-0.3774719     8.726605 
1 1 1 7   9   25 o 64.53503 3.662516  896.6929       84.61667 849.6307       
170.5096 912.0700       97.46494 63.26565 6.419511 65.80443 3.527885 -2.538780 
7.325032 
1 1 1 7   9   26 o 83.62386 2.798003  1449.778       86.56400 1526.049       
170.5891 1423.328       100.4588 84.99909 4.780331 82.24863 2.909247 2.750458 
5.596006 
1 1 1 7   9   27 o 91.31737 2.959703  1764.317       99.55164 1749.917       
194.6269 1769.419       115.8543 90.94905 5.097130 91.68568 3.009758 
-0.7366333     5.919407 
1 1 1 7   9   28 o 135.8004 3.475949  3859.178       176.6950 4012.253       
340.5636 3802.796       206.6907 137.3476 5.906063 134.2531 3.667056 3.094482 
6.951898 
1 1 1 7   9   29 o 97.19360 3.418931  1922.984       117.9292 2162.702       
250.7977 1854.936       133.6231 100.6461 5.935367 93.74108 3.395258 6.905037 
6.837862 
1 1 1 7   9   30 o 112.6474 3.376696  2690.421       142.0133 2720.078       
272.7850 2679.395       166.3313 112.7289 5.763766 112.5658 3.519561 0.1630554 
6.753392 
1 1 1 7   9   31 o 87.19528 3.291341  1569.250       104.7336 1728.357       
212.6162 1518.274       120.3477 89.69923 5.645842 84.69133 3.384697 5.007904 
6.582683 
1 1 1 7   9   32 o 99.22546 3.408581  2053.007       125.4397 2238.661       
247.6476 1988.935       145.4836 101.6882 5.800756 96.76272 3.581188 4.925484 
6.817161 
1 1 1 7   9   33 o 23.50786 6.399443  71.53870       104.4718 -204.8004      
194.3560 183.8273       123.8924 18.74203 8.942484 28.27368 9.156607 -9.531643 
12.79889 
1 1 1 7   9   34 o 47.81587 5.960829  465.9375       108.3503 737.6311       
210.3859 367.8628       126.4024 56.08480 8.934958 39.54694 7.892556 16.53786 
11.92166 
1 1 1 7   9   35 o 23.32842 6.229610  77.15371       104.6924 -277.2421      
201.5158 208.1690       122.5253 17.55716 8.547250 29.09969 9.065137 -11.54253 
12.45922 
1 1 1 7   9   36 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   9   37 o 28.70903 6.827356  229.9324       99.27697 97.41148       
213.8301 266.3475       112.0901 25.05413 10.89683 32.36393 8.228627 -7.309797 
13.65471 
1 1 1 7   9   38 o 39.35581 5.315899  523.6085       103.7828 -25.48692      
184.8870 776.2203       125.4034 20.21805 9.325178 58.49357 5.106486 -38.27552 
10.63180 
1 1 1 7   9   39 o 18.95512 5.781637  31.27743       95.09288 -225.0618      
184.6815 123.7580       110.9280 15.97783 7.870270 21.93241 8.471607 -5.954585 
11.56327 
1 1 1 7   10  0  o 363.6198 2.667856  27779.50       403.4920 27799.70       
535.4886 27752.96       613.7275 363.7916 3.506054 363.4478 4.022116 0.3437805 
5.335712 
1 1 1 7   10  1  o 251.8454 2.976584  13324.20       313.8773 13291.71       
428.2060 13361.92       461.4330 251.5222 4.055062 252.1686 4.358518 
-0.6463928     5.953167 
1 1 1 7   10  2  o 233.7825 3.357596  11492.41       327.3479 11537.93       
438.7997 11435.29       491.5597 234.3211 4.460422 233.2439 5.019806 1.077225 
6.715193 
1 1 1 7   10  3  o 223.9910 3.139454  10543.38       287.7769 10545.08       
367.9937 10540.72       461.7297 224.0400 3.912334 223.9419 4.911041 
0.9814453E-01  6.278908 
1 1 1 7   10  4  o 336.1462 4.100466  23818.27       532.6085 23615.43       
962.9008 23907.69       639.3126 334.9958 6.846415 337.2966 4.514633 -2.300751 
8.200933 
1 1 1 7   10  5  o 361.3522 5.047403  27711.08       720.9249 28175.46       
885.6943 26799.36       1241.021 366.0433 5.763316 356.6610 8.287901 9.382263 
10.09481 
1 1 1 7   10  6  o 380.9431 5.085903  30262.41       683.9564 30025.44       
777.7495 31071.00       1436.656 377.9601 4.901340 383.9261 8.913052 -5.965942 
10.17181 
1 1 1 7   10  7  o 210.6463 2.532325  9291.887       219.7635 9173.894       
283.7480 9468.769       347.4133 208.9934 3.233860 212.2991 3.897798 -3.305725 
5.064650 
1 1 1 7   10  8  o 36.35169 3.398760  312.2829       44.00832 211.1243       
76.39351 362.5278       53.83955 31.15670 6.056313 41.54668 3.086642 -10.38998 
6.797520 
1 1 1 7   10  9  o 223.0317 3.022625  10385.32       269.3286 10668.32       
460.6155 10238.30       331.9966 225.2932 4.869805 220.7702 3.581906 4.522964 
6.045250 
1 1 1 7   10  10 o 381.6428 6.349108  30121.13       912.3850 32039.23       
1752.571 29408.02       1068.615 389.4650 10.71836 373.8207 6.808929 15.64426 
12.69822 
1 1 1 7   10  11 o 299.2400 4.283888  18661.59       479.0398 19215.91       
924.6686 18458.24       560.0576 302.1140 7.290148 296.3659 4.501171 5.748047 
8.567777 
1 1 1 7   10  12 o 173.6822 3.229234  6287.037       218.5532 6480.904       
392.9265 6200.189       262.9890 175.5677 5.330743 171.7967 3.646229 3.771011 
6.458467 
1 1 1 7   10  13 o 199.2040 5.018416  8349.681       380.6843 8365.997       
707.5999 8343.035       451.6102 199.2179 8.460196 199.1902 5.400287 
0.2772522E-01  10.03683 
1 1 1 7   10  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   10  15 o 143.9316 4.128905  4426.107       231.9262 4171.280       
406.2975 4549.274       282.4684 140.7495 6.875721 147.1136 4.573389 -6.364090 
8.257811 
1 1 1 7   10  16 o 340.0436 7.335355  24495.71       908.5047 24376.69       
1807.447 24535.94       1050.911 338.8506 12.70511 341.2366 7.335526 -2.385956 
14.67071 
1 1 1 7   10  17 o 188.4625 4.245442  7421.759       307.7267 7615.333       
565.6364 7340.379       366.7509 190.0895 7.087618 186.8354 4.675553 3.254044 
8.490885 
1 1 1 7   10  18 o 218.6021 5.229966  9965.025       451.9534 10425.32       
792.9792 9743.571       550.0332 222.1233 8.503325 215.0808 6.091276 7.042450 
10.45993 
1 1 1 7   10  19 o 136.7279 3.367928  3999.980       174.3725 3779.407       
322.2545 4091.299       207.3501 133.9433 5.730588 139.5126 3.540071 -5.569290 
6.735855 
1 1 1 7   10  20 o 144.0269 2.907211  4370.143       173.2860 4327.128       
267.9981 4401.047       227.1608 143.3898 4.451789 144.6639 3.740196 -1.274063 
5.814421 
1 1 1 7   10  21 o 69.02197 3.361371  931.4877       85.54595 1157.066       
175.6041 861.2967       97.95522 74.05633 5.647985 63.98763 3.646302 10.06870 
6.722742 
1 1 1 7   10  22 o 32.13913 5.562562  215.7230       67.67969 253.8512       
132.6273 202.2984       78.69763 33.92222 9.115717 30.35604 6.377470 3.566179 
11.12512 
1 1 1 7   10  23 o 63.10290 3.502773  829.3934       80.37988 863.3832       
162.1441 818.3188       92.55279 63.86043 6.047703 62.34536 3.535953 1.515072 
7.005546 
1 1 1 7   10  24 o 73.73816 3.301769  1125.086       91.39112 1199.487       
176.4921 1097.827       106.8290 75.27866 5.584373 72.19766 3.524416 3.080994 
6.603539 
1 1 1 7   10  25 o 89.64134 3.061439  1800.012       103.5676 1442.839       
183.2362 1967.681       125.5450 82.59155 5.284412 96.69114 3.092671 -14.09959 
6.122877 
1 1 1 7   10  26 o 127.7117 3.096736  3391.847       126.4593 3519.156       
303.7982 3365.164       139.0816 128.9280 5.612536 126.4955 2.618881 2.432495 
6.193472 
1 1 1 7   10  27 o 188.1337 3.608917  7700.402       251.1015 7029.136       
476.9825 7957.758       295.3392 181.9420 6.244397 194.3254 3.620033 -12.38344 
7.217834 
1 1 1 7   10  28 o 119.0000 3.146680  3043.719       136.7132 2893.302       
267.8226 3096.726       158.9873 116.7599 5.463547 121.2402 3.123466 -4.480301 
6.293360 
1 1 1 7   10  29 o 40.12883 5.836031  374.6571       83.45926 314.9975       
168.4947 394.0530       96.07275 37.21762 10.39081 43.04005 5.316779 -5.822426 
11.67206 
1 1 1 7   10  30 o 80.30943 3.417256  1377.410       96.86160 1362.195       
201.1705 1382.002       110.5156 79.72711 6.010068 80.89174 3.254173 -1.164627 
6.834512 
1 1 1 7   10  31 o 71.01765 3.600202  932.1160       93.67779 1398.308       
200.0725 801.2160       106.0168 80.62247 5.910883 61.41285 4.111844 19.20962 
7.200403 
1 1 1 7   10  32 o 24.59679 6.529502  68.82750       95.61769 213.0637       
154.6262 -20.47695      121.6697 30.77080 10.23195 18.42278 8.114480 12.34802 
13.05900 
1 1 1 7   10  33 f 27.16498 7.088576  146.0597       97.21833 158.9699       
193.3176 141.6894       112.4759 28.82214 11.17307 25.50782 8.726632 3.314318 
14.17715 
1 1 1 7   10  34 o 76.88205 4.583431  1313.706       136.1574 1315.846       
244.9072 1312.749       163.8058 76.06218 7.669265 77.70193 5.021328 -1.639748 
9.166862 
1 1 1 7   10  35 o 49.40895 5.989241  539.3350       112.7843 706.3046       
209.4510 471.1506       133.8462 53.33262 9.713800 45.48529 7.009001 7.847336 
11.97848 
1 1 1 7   10  36 o 29.61199 7.149899  158.0550       92.78353 393.5465       
202.9743 95.84848       104.3209 37.45146 11.66776 21.77251 8.267265 15.67895 
14.29980 
1 1 1 7   10  37 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   10  38 o 24.13689 6.535243  143.8897       95.46587 37.40253       
182.7565 183.8505       111.9544 21.83979 9.748671 26.43398 8.706377 -4.594187 
13.07049 
1 1 1 7   10  39 o 31.56603 5.102094  310.1728       102.8307 -217.4326      
190.6152 526.7478       122.1257 16.46324 8.079256 46.66882 6.233062 -30.20558 
10.20419 
1 1 1 7   11  0  o 112.6900 1.972139  2643.138       91.86610 2798.320       
144.8139 2538.632       118.8395 115.4297 2.988227 109.9503 2.574457 5.479446 
3.944278 
1 1 1 7   11  1  o 75.90100 2.047613  1201.791       65.00333 1353.975       
96.19199 1073.885       88.18604 80.29433 2.853482 71.50768 2.937435 8.786659 
4.095227 
1 1 1 7   11  2  o 119.9781 2.144175  3020.131       107.9362 2877.714       
150.1823 3172.287       155.2325 117.0551 3.055974 122.9012 3.008484 -5.846085 
4.288351 
1 1 1 7   11  3  o 201.5040 2.440578  8501.309       203.5263 8369.323       
265.3277 8689.989       317.2380 199.6201 3.165915 203.3878 3.715192 -3.767685 
4.881155 
1 1 1 7   11  4  o 95.83788 2.112674  1928.067       84.95998 1840.529       
118.8564 2019.526       121.4900 93.61404 3.024144 98.06171 2.950953 -4.447662 
4.225348 
1 1 1 7   11  5  o 488.7163 7.666903  50276.20       1554.404 49343.91       
2038.105 51572.49       2403.273 483.5363 10.03965 493.8963 11.59013 -10.35995 
15.33381 
1 1 1 7   11  6  o 136.9398 2.392701  3938.170       119.1619 3940.332       
238.2391 3937.448       137.6126 136.9440 4.143726 136.9357 2.393661 
0.8331299E-02  4.785403 
1 1 1 7   11  7  o 654.9702 8.031891  90534.35       2191.339 91774.26       
3322.693 89579.92       2915.183 658.6656 12.01562 651.2747 10.66161 7.390869 
16.06378 
1 1 1 7   11  8  o 167.2254 2.712976  5840.661       183.3231 5999.770       
305.6829 5751.293       229.0930 168.9763 4.308900 165.4745 3.297628 3.501755 
5.425953 
1 1 1 7   11  9  o 238.9577 3.150656  12038.27       259.7406 11931.15       
558.6827 12067.81       293.3747 238.2037 5.586475 239.7118 2.915106 -1.508118 
6.301313 
1 1 1 7   11  10 o 82.02607 2.334916  1461.076       77.33897 1201.380       
120.6478 1642.231       100.7654 75.62112 3.800122 88.43102 2.714113 -12.80991 
4.669832 
1 1 1 7   11  11 o 231.7943 3.660527  11211.88       339.4520 11569.51       
579.4152 11024.99       418.8607 234.5369 5.884367 229.0516 4.355693 5.485306 
7.321054 
1 1 1 7   11  12 o 147.7641 2.497355  4624.344       145.6684 4475.002       
251.5188 4699.719       178.6865 145.9356 4.105160 149.5926 2.845133 -3.656998 
4.994709 
1 1 1 7   11  13 o 198.2069 4.997250  8274.820       318.5027 8266.121       
753.0035 8276.715       351.4937 197.9535 9.060558 198.4603 4.218568 
-0.5068054     9.994500 
1 1 1 7   11  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   11  15 o 278.3890 6.258427  16290.74       625.5920 16474.63       
1276.889 16232.66       717.6201 279.0467 10.89927 277.7313 6.154473 1.315399 
12.51685 
1 1 1 7   11  16 o 84.18080 2.730839  1480.987       88.52388 1509.705       
162.1477 1468.793       105.6597 84.74109 4.557616 83.62052 3.009662 1.120567 
5.461678 
1 1 1 7   11  17 o 51.63052 4.134338  494.5588       84.00459 791.8521       
154.6369 370.0953       100.0556 61.32777 6.005883 41.93328 5.683342 19.39450 
8.268677 
1 1 1 7   11  18 o 271.1750 6.610177  15508.35       702.4478 15717.34       
1243.527 15410.41       851.2758 272.1188 10.88473 270.2313 7.503358 1.887512 
13.22035 
1 1 1 7   11  19 o 115.1204 3.320048  2774.867       142.8110 2819.240       
274.7922 2758.447       167.1584 115.6847 5.657828 114.5562 3.475608 1.128471 
6.640096 
1 1 1 7   11  20 o 217.8403 3.419377  10139.32       271.9073 9693.537       
534.0599 10295.31       315.9185 214.3902 5.933433 221.2903 3.400429 -6.900101 
6.838753 
1 1 1 7   11  21 o 124.3871 2.589415  3270.796       125.9200 3210.949       
222.2823 3299.077       152.8025 123.4955 4.287210 125.2787 2.905188 -1.783142 
5.178831 
1 1 1 7   11  22 o 95.34135 2.711117  1870.707       96.77744 2008.662       
188.0600 1821.014       112.8699 97.61951 4.588608 93.06321 2.888824 4.556297 
5.422235 
1 1 1 7   11  23 o 132.8139 2.823215  3650.327       139.6724 3861.040       
272.6488 3575.354       162.6331 135.2555 4.801419 130.3723 2.971288 4.883240 
5.646430 
1 1 1 7   11  24 o 199.8048 3.165122  8390.997       218.1357 8485.513       
471.2495 8365.224       246.0870 200.2151 5.606283 199.3944 2.939657 0.8206940 
6.330245 
1 1 1 7   11  25 o 49.75328 3.532208  512.6069       66.80083 548.1236       
126.4384 498.8544       78.67798 50.85638 5.921810 48.65018 3.852031 2.206207 
7.064416 
1 1 1 7   11  26 o 62.04276 3.660523  740.1557       83.11383 968.9294       
174.2450 672.7732       94.56505 67.59492 6.139985 56.49060 3.987269 11.10432 
7.321047 
1 1 1 7   11  27 o 134.6570 3.534189  3731.838       158.5700 4005.153       
363.9760 3667.811       176.1672 137.3260 6.313075 131.9879 3.179157 5.338165 
7.068377 
1 1 1 7   11  28 o 42.83862 5.705661  474.2919       84.05691 268.9644       
164.9983 546.2580       97.68317 34.85838 10.45257 50.81886 4.578423 -15.96048 
11.41132 
1 1 1 7   11  29 o 160.0937 4.317012  5494.507       232.4595 5436.042       
515.2615 5509.449       260.4737 158.7345 7.731743 161.4529 3.842724 -2.718353 
8.634024 
1 1 1 7   11  30 o 120.1869 3.590340  3051.960       159.0455 3128.795       
312.7052 3025.147       184.7227 120.7867 6.166474 119.5870 3.679235 1.199776 
7.180680 
1 1 1 7   11  31 o 56.37675 4.497884  738.6895       88.43382 586.7024       
174.9408 790.8592       102.4936 51.71233 8.057831 61.04118 3.999402 -9.328854 
8.995769 
1 1 1 7   11  32 o 72.56519 3.815992  1201.392       107.0818 930.8036       
178.4603 1353.622       133.8562 65.38669 6.500897 79.74368 3.998188 -14.35699 
7.631984 
1 1 1 7   11  33 o 40.14640 6.308959  477.2343       113.5927 56.16104       
216.1778 637.8407       133.5099 26.20285 11.16454 54.08995 5.879197 -27.88710 
12.61792 
1 1 1 7   11  34 o 28.15838 7.236866  120.0214       105.2421 321.4620       
199.8521 42.72568       123.7978 35.62476 11.63245 20.69201 8.612492 14.93275 
14.47373 
1 1 1 7   11  35 o 18.89767 6.029810  -55.47953      106.9128 -329.2730      
207.1084 43.98650       124.8313 17.22852 8.444139 20.56683 8.609935 -3.338310 
12.05962 
1 1 1 7   11  36 o 63.90219 4.817811  966.4738       120.7905 834.5242       
201.0112 1041.050       151.1178 59.26542 8.078672 68.53897 5.251690 -9.273556 
9.635621 
1 1 1 7   11  37 o 27.35283 6.778831  193.8450       111.0777 -34.79748      
209.8168 282.8796       130.9306 21.79495 10.00416 32.91071 9.150247 -11.11576 
13.55766 
1 1 1 7   11  38 o 43.25165 6.473372  439.8492       117.5472 0.000000       
0.000000 439.8492       117.5472 ?        ?        43.25165 6.473372 ? ? 
1 1 1 7   11  39 o 20.50886 6.402640  24.94505       95.76453 172.4922       
186.7070 -27.72921      111.5564 25.06884 10.51387 15.94889 7.309833 9.119945 
12.80528 
1 1 1 7   12  0  o 169.1714 1.795014  5994.523       127.1704 6216.014       
187.8512 5807.139       172.7842 172.0472 2.600683 166.2956 2.474824 5.751633 
3.590029 
1 1 1 7   12  1  o 119.2168 2.652262  2984.661       132.7495 0.000000       
0.000000 2984.661       132.7495 ?        ?        119.2168 2.652262 ? ? 
1 1 1 7   12  2  o 183.7375 2.059268  7090.698       158.6278 7077.271       
230.4100 7102.796       218.7139 183.5698 2.989656 183.9052 2.832719 
-0.3353882     4.118536 
1 1 1 7   12  3  o 254.7669 2.228240  13615.98       237.4334 13815.93       
352.5606 13450.04       321.1905 256.4709 3.274288 253.0629 3.023119 3.407928 
4.456480 
1 1 1 7   12  4  o 47.39091 2.278935  499.0294       41.77678 394.8510       
70.50332 555.4011       51.86226 43.35253 3.873612 51.42929 2.401939 -8.076759 
4.557870 
1 1 1 7   12  5  o 173.6851 2.456646  5939.646       115.6250 6870.701       
348.4319 5824.430       122.5705 180.8120 4.589990 166.5582 1.752836 14.25380 
4.913292 
1 1 1 7   12  6  o 250.9907 2.708568  13348.05       267.0771 12909.96       
465.3850 13563.19       326.1268 247.8572 4.472311 254.1242 3.056762 -6.266968 
5.417135 
1 1 1 7   12  7  o 381.2269 4.903508  30254.98       736.6418 31549.96       
1299.884 29642.36       894.0637 387.0052 8.000348 375.4486 5.672036 11.55661 
9.807016 
1 1 1 7   12  8  o 258.1750 2.565964  13918.01       272.4564 13597.94       
349.7379 14412.13       434.5493 254.4393 3.274007 261.9107 3.951908 -7.471390 
5.131929 
1 1 1 7   12  9  o 56.66813 2.503127  635.9510       53.07121 760.2841       
105.6678 594.0076       61.37352 60.15233 4.184188 53.18393 2.748664 6.968399 
5.006254 
1 1 1 7   12  10 o 89.33463 2.148978  1734.311       76.50378 1472.679       
124.5682 1892.756       96.93985 83.72899 3.543664 94.94026 2.432053 -11.21127 
4.297957 
1 1 1 7   12  11 o 248.0254 3.258091  13149.86       280.0601 12538.50       
592.7009 13325.60       317.7725 244.1636 5.781968 251.8872 3.004908 -7.723557 
6.516181 
1 1 1 7   12  12 o 85.51395 2.310004  1556.998       79.41780 1460.805       
130.8410 1613.112       99.93213 83.38578 3.737428 87.64211 2.715898 -4.256325 
4.620008 
1 1 1 7   12  13 o 49.60319 4.067509  534.4428       75.37704 479.9979       
140.4337 556.4756       89.33633 47.74633 7.005713 51.46004 4.135033 -3.713715 
8.135017 
1 1 1 7   12  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   12  15 o 156.7205 3.561335  5184.276       210.5857 5120.530       
396.1162 5209.391       248.6314 155.9858 6.048653 157.4552 3.761145 -1.469391 
7.122669 
1 1 1 7   12  16 o 536.3004 9.859477  60584.57       1998.771 62852.02       
3786.831 59708.91       2353.280 541.5129 16.65667 531.0880 10.55427 10.42499 
19.71895 
1 1 1 7   12  17 o 179.5782 3.376656  6561.929       232.5535 7323.818       
437.9021 6262.651       274.4537 186.5373 5.591553 172.6192 3.787051 13.91812 
6.753312 
1 1 1 7   12  18 f 150.5438 2.907860  4269.909       117.8053 5442.099       
365.7567 4134.231       124.4365 160.7810 5.418492 140.3066 2.112471 20.47447 
5.815719 
1 1 1 7   12  19 o 81.84795 2.640059  1279.436       77.81329 1666.430       
167.1833 1172.417       87.91656 88.99590 4.474495 74.70000 2.803310 14.29590 
5.280118 
1 1 1 7   12  20 o 36.36833 3.268537  276.4517       49.72496 307.6423       
73.97044 250.7367       67.16462 38.22666 4.609066 34.51000 4.635714 3.716663 
6.537074 
1 1 1 7   12  21 o 121.0685 1.842205  3079.480       93.57394 2925.500       
131.1375 3239.209       133.5629 117.9838 2.647435 124.1532 2.562413 -6.169365 
3.684410 
1 1 1 7   12  22 o 22.13388 4.678384  105.1766       47.38435 83.78076       
69.65464 123.6072       64.64825 20.50854 6.867393 23.75921 6.355156 -3.250668 
9.356768 
1 1 1 7   12  23 o 135.8392 2.461838  3850.290       138.7862 4103.758       
215.8412 3671.624       181.2149 139.5937 3.682898 132.0848 3.267851 7.508896 
4.923676 
1 1 1 7   12  24 o 113.6971 3.170163  2731.237       126.3776 2722.811       
265.9245 2733.695       143.6342 113.4151 5.584810 113.9791 3.001606 
-0.5639648     6.340326 
1 1 1 7   12  25 o 62.26199 3.620275  815.3770       80.86227 827.6838       
165.3578 811.5089       92.70262 62.45499 6.306357 62.06898 3.557447 0.3860092 
7.240551 
1 1 1 7   12  26 o 180.0813 3.201391  6857.972       206.2095 6820.912       
421.4649 6869.636       236.4427 179.4990 5.592687 180.6636 3.117284 -1.164612 
6.402781 
1 1 1 7   12  27 o 210.6064 4.722312  9473.346       376.3191 9338.563       
702.9176 9527.497       445.5487 208.9513 8.012728 212.2614 4.999714 -3.310120 
9.444625 
1 1 1 7   12  28 o 79.50024 3.403059  1391.036       102.0822 1212.583       
185.2910 1468.805       122.3197 75.53648 5.842767 83.46400 3.490746 -7.927513 
6.806118 
1 1 1 7   12  29 o 70.84814 3.543664  1069.353       94.94495 1057.746       
177.7061 1073.990       112.3201 70.39977 6.012458 71.29652 3.752408 
-0.8967514     7.087328 
1 1 1 7   12  30 o 24.59627 6.223864  112.1929       69.63313 108.4729       
158.9326 113.0767       77.46382 26.24741 10.13991 22.94512 7.219987 3.302284 
12.44773 
1 1 1 7   12  31 o 62.63338 3.845381  789.4307       84.14397 934.8990       
184.8139 751.3916       94.50737 65.73002 6.697178 59.53675 3.780956 6.193264 
7.690762 
1 1 1 7   12  32 o 31.03535 7.405706  199.5651       106.1090 262.0361       
198.4435 174.5526       125.5671 33.97156 11.59138 28.09915 9.220507 5.872416 
14.81141 
1 1 1 7   12  33 o 46.42323 6.422651  518.7581       110.3299 456.9797       
204.5753 544.0966       131.0166 42.99267 11.21689 49.85379 6.259638 -6.861126 
12.84530 
1 1 1 7   12  34 o 62.22153 5.072258  866.0682       118.5490 875.7863       
223.5660 862.2667       139.8260 61.53830 8.653290 62.90477 5.294506 -1.366463 
10.14452 
1 1 1 7   12  35 o 24.15555 7.067204  44.48088       108.5625 200.6431       
204.2301 -17.02462      128.1707 29.78786 11.49717 18.52325 8.221722 11.26461 
14.13441 
1 1 1 7   12  36 o 32.45412 7.505978  264.3494       109.5638 309.5359       
209.3233 247.2983       128.5846 33.64561 11.86822 31.26263 9.192617 2.382980 
15.01196 
1 1 1 7   12  37 o 53.51917 6.251583  713.4317       114.0380 712.7270       
232.3664 713.6553       130.8841 50.72279 11.21090 56.31555 5.535790 -5.592762 
12.50317 
1 1 1 7   12  38 o 35.51126 7.065466  379.2781       109.6287 266.4559       
221.9733 415.6758       126.0782 30.11137 11.89752 40.91116 7.624445 -10.79980 
14.13093 
1 1 1 7   12  39 o 27.37636 6.168602  219.7586       104.2563 -65.49364      
188.0883 346.2700       125.2598 19.03628 8.969590 35.71645 8.470717 -16.68017 
12.33720 
1 1 1 7   12  40 o 19.98610 6.424301  20.15398       97.89259 158.5696       
205.8382 -20.30277      111.2830 24.05582 10.57518 15.91638 7.297413 8.139449 
12.84860 
1 1 1 7   13  0  o 125.1068 2.712618  3274.704       141.6993 3164.576       
189.3768 3414.789       213.5865 122.7316 3.675288 127.4820 3.990671 -4.750420 
5.425237 
1 1 1 7   13  1  o 195.2492 2.086999  7863.665       158.1213 8378.903       
288.7003 7642.873       188.9879 199.7184 3.443105 190.7800 2.359512 8.938385 
4.173999 
1 1 1 7   13  2  o 133.2031 1.688215  3721.051       84.79498 3736.618       
160.3615 3715.009       99.90423 133.3866 2.863576 133.0195 1.788914 0.3670959 
3.376431 
1 1 1 7   13  3  o 319.4999 2.969121  21473.39       285.9368 21416.17       
732.8234 21483.66       310.5523 319.1371 5.469442 319.8627 2.312556 
-0.7255859     5.938241 
1 1 1 7   13  4  o 291.1063 2.271255  17789.85       268.7216 17837.33       
439.2930 17761.46       339.6898 291.3954 3.590812 290.8173 2.782168 0.5780945 
4.542510 
1 1 1 7   13  5  o 387.5024 3.546068  31595.76       512.5574 31498.89       
984.4564 31631.79       600.3459 386.9688 6.059567 388.0359 3.685112 -1.067108 
7.092137 
1 1 1 7   13  6  o 306.5146 2.708907  19557.21       298.0849 20088.01       
611.4280 19391.72       341.4057 309.1532 4.710778 303.8761 2.676057 5.277100 
5.417814 
1 1 1 7   13  7  f 412.9493 4.770546  35809.24       815.4904 36357.24       
1267.925 35422.63       1064.993 415.5533 7.267548 410.3454 6.181845 5.207825 
9.541093 
1 1 1 7   13  8  o 421.1330 5.066448  37448.09       800.2283 37091.36       
1520.744 37584.69       941.0513 419.4655 8.635371 422.8004 5.301503 -3.334930 
10.13290 
1 1 1 7   13  9  o 393.0565 6.033702  32384.87       907.7898 33008.22       
1679.405 32127.55       1079.011 395.3828 10.11716 390.7303 6.577635 4.652435 
12.06740 
1 1 1 7   13  10 o 108.2475 2.094429  2482.501       93.37643 2342.485       
144.7190 2582.367       122.2218 105.6037 3.264130 110.8913 2.625259 -5.287560 
4.188858 
1 1 1 7   13  11 o 403.2051 3.379199  34155.17       563.9547 34284.41       
874.8392 34063.28       737.6895 403.8119 5.160244 402.5984 4.364380 1.213440 
6.758397 
1 1 1 7   13  12 o 393.4090 3.497459  32496.56       556.4846 32692.25       
921.2871 32384.14       698.2573 394.2616 5.565851 392.5564 4.236766 1.705200 
6.994919 
1 1 1 7   13  13 o 325.1225 5.064581  22303.02       654.5026 22133.28       
1121.496 22390.69       805.9952 324.0103 8.244416 326.2347 5.884687 -2.224335 
10.12916 
1 1 1 7   13  14 f 208.3680 8.196329  9155.357       717.0169 0.000000       
0.000000 9155.357       717.0169 ?        ?        208.3680 8.196329 ? ? 
1 1 1 7   13  15 o 66.56838 2.882307  955.7487       75.54633 858.1717       
128.3510 1007.472       93.44813 63.88531 4.785413 69.25145 3.214125 -5.366138 
5.764615 
1 1 1 7   13  16 o 371.8414 5.159990  28876.80       768.9764 30056.06       
1309.822 28256.58       949.9099 377.3552 8.267671 366.3277 6.176376 11.02750 
10.31998 
1 1 1 7   13  17 o 118.6082 2.259333  2953.858       112.2306 2983.225       
164.9502 2928.545       153.1428 119.1532 3.297374 118.0632 3.089607 1.089981 
4.518667 
1 1 1 7   13  18 o 163.0572 2.509806  5588.437       170.8699 5589.211       
255.3845 5587.809       229.9111 163.0563 3.730595 163.0581 3.358448 
-0.1815796E-02 5.019613 
1 1 1 7   13  19 o 183.2222 3.405616  6716.350       183.6570 7569.298       
498.7625 6582.559       197.5366 189.4389 6.271128 177.0055 2.658165 12.43346 
6.811232 
1 1 1 7   13  20 o 268.3629 3.266739  15031.71       338.1119 15500.87       
619.1912 14832.39       403.5953 271.1610 5.438993 265.5647 3.619902 5.596344 
6.533478 
1 1 1 7   13  21 o 159.8353 2.823517  5358.761       186.2262 5478.872       
293.1037 5277.452       241.1579 161.2933 4.328386 158.3772 3.626853 2.916122 
5.647033 
1 1 1 7   13  22 o 56.80674 2.662413  680.4865       62.86978 671.4406       
95.54273 687.3943       83.49312 56.46111 4.030596 57.15237 3.479666 
-0.6912575     5.324827 
1 1 1 7   13  23 o 51.27429 2.794847  558.1288       59.49861 522.0252       
89.36089 586.8807       79.74520 49.75692 4.277747 52.79166 3.597993 -3.034748 
5.589694 
1 1 1 7   13  24 o 147.2141 2.182373  4537.032       134.1722 4341.892       
179.2419 4785.729       202.3487 143.6465 2.972114 150.7816 3.196489 -7.135071 
4.364745 
1 1 1 7   13  25 o 40.42146 3.652934  341.5833       60.77150 447.4333       
91.05753 256.5688       81.60508 46.02938 4.711961 34.81353 5.583290 11.21585 
7.305868 
1 1 1 7   13  26 o 42.25007 3.552936  374.9621       62.73482 400.9835       
94.33400 354.3281       84.00285 43.54836 5.159617 40.95177 4.885875 2.596584 
7.105873 
1 1 1 7   13  27 o 151.9404 2.765994  4881.062       174.3752 4780.942       
266.3727 4956.140       230.6700 150.5179 4.215241 153.3629 3.582547 -2.844986 
5.531989 
1 1 1 7   13  28 f 80.41028 2.409643  1365.626       81.14716 1319.146       
117.7294 1407.694       112.0035 79.09030 3.545542 81.73026 3.264146 -2.639961 
4.819286 
1 1 1 7   13  29 f 119.3124 2.657396  3002.411       116.2836 3019.048       
229.5811 2996.671       134.8625 119.3453 4.581966 119.2794 2.693065 
0.6589508E-01  5.314792 
1 1 1 7   13  30 o 179.2483 4.749832  6605.668       275.1367 7420.815       
661.5486 6435.183       302.5438 184.2489 8.552199 174.2476 4.135637 10.00133 
9.499663 
1 1 1 7   13  31 o 52.62877 4.811365  666.7437       85.04913 493.4333       
164.6762 729.7872       99.32053 46.62180 8.736083 58.63573 4.034575 -12.01393 
9.622730 
1 1 1 7   13  32 o 69.44917 4.556147  1022.124       121.1990 1114.529       
226.6875 985.1367       143.4186 71.12794 7.591164 67.77041 5.040649 3.357529 
9.112294 
1 1 1 7   13  33 o 94.22601 4.725942  2024.889       167.5897 1777.773       
303.6932 2133.093       200.9587 88.88822 8.137893 99.56380 4.807579 -10.67558 
9.451884 
1 1 1 7   13  34 o 65.19944 4.822394  893.7391       120.1791 1085.533       
230.2739 821.9438       140.8885 69.04491 7.943907 61.35397 5.469579 7.690933 
9.644789 
1 1 1 7   13  35 o 29.17158 7.218572  114.8889       108.4850 407.5411       
208.2998 5.962650       127.0806 39.08138 11.74946 19.26178 8.389352 19.81960 
14.43714 
1 1 1 7   13  36 f 40.19944 7.012213  387.0817       105.4041 487.9543       
212.5570 354.1881       121.3792 42.06520 11.64666 38.33367 7.812796 3.731529 
14.02443 
1 1 1 7   13  37 o 28.82041 7.298002  135.9884       95.84126 412.8136       
216.3323 68.38638       106.9051 37.38204 12.09898 20.25877 8.164436 17.12327 
14.59600 
1 1 1 7   13  38 o 47.34173 6.814344  598.2776       119.7916 587.2461       
225.1502 602.6335       141.4786 44.09038 11.89017 50.59309 6.660711 -6.502708 
13.62869 
1 1 1 7   13  39 o 24.34287 7.089464  149.7268       114.5130 90.87881       
219.1010 171.8432       134.3186 23.58875 10.59780 25.09700 9.419585 -1.508245 
14.17893 
1 1 1 7   13  40 f 18.71886 6.204859  -17.50997      116.2705 -68.44627      
215.8990 3.297694       137.9903 19.43703 9.310006 18.00068 8.205175 1.436346 
12.40972 
1 1 1 7   14  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   14  1  o 77.27250 2.106647  1220.231       63.82663 1348.024       
115.2003 1163.627       76.67012 80.10599 3.425386 74.43901 2.453277 5.666977 
4.213293 
1 1 1 7   14  2  o 177.5082 2.051264  6546.037       140.3466 6439.911       
167.3112 6798.018       257.8081 175.1244 2.275618 179.8920 3.413546 -4.767624 
4.102528 
1 1 1 7   14  3  o 279.2390 2.229464  16309.88       246.0782 16579.42       
429.1074 16177.81       300.3775 280.9232 3.638308 277.5548 2.577743 3.368378 
4.458929 
1 1 1 7   14  4  o 279.1961 2.872082  16258.75       255.8538 16565.04       
614.2383 16194.45       281.4307 280.6873 5.212370 277.7050 2.413842 2.982300 
5.744165 
1 1 1 7   14  5  o 274.0244 2.520985  15899.15       258.7727 15497.27       
490.9017 16053.79       304.5172 271.5606 4.305751 276.4882 2.623351 -4.927612 
5.041970 
1 1 1 7   14  6  o 229.8298 2.114530  11125.20       203.2887 10657.24       
296.6467 11539.56       279.1388 225.2542 3.136807 234.4055 2.836439 -9.151367 
4.229059 
1 1 1 7   14  7  o 265.3567 2.495935  14749.80       274.0965 14547.35       
357.4640 15038.69       427.0020 263.1686 3.235335 267.5447 3.801497 -4.376099 
4.991871 
1 1 1 7   14  8  o 365.4897 4.062734  28432.73       549.2603 27381.46       
1059.392 28819.21       642.3366 360.6420 6.996831 370.3374 4.131294 -9.695404 
8.125468 
1 1 1 7   14  9  o 431.7391 6.052741  39628.79       1005.385 38470.77       
1820.967 40136.57       1205.833 426.7776 10.16299 436.7005 6.576952 -9.922943 
12.10548 
1 1 1 7   14  10 f 363.2645 3.188989  27781.13       483.0182 27330.90       
723.7543 28142.70       648.5916 360.5785 4.780930 365.9506 4.221531 -5.372040 
6.377979 
1 1 1 7   14  11 o 151.8967 2.540205  4886.391       149.7715 4743.870       
267.1645 4951.708       180.8640 150.2447 4.235462 153.5488 2.805606 -3.304138 
5.080410 
1 1 1 7   14  12 o 411.3708 6.221320  35805.39       959.1734 35465.55       
1824.284 35935.24       1127.617 409.5549 10.60966 413.1867 6.500341 -3.631775 
12.44264 
1 1 1 7   14  13 o 50.36353 3.656975  518.6919       69.22903 566.4762       
134.2107 501.3684       80.80946 51.88131 6.161652 48.84574 3.940547 3.035572 
7.313950 
1 1 1 7   14  14 o 171.3707 2.476103  6126.505       176.6725 6496.906       
270.8150 5852.068       233.1087 175.8407 3.668380 166.9006 3.326760 8.940079 
4.952207 
1 1 1 7   14  15 o 190.5413 2.468043  7629.507       193.4343 7623.621       
305.8185 7633.431       249.7378 190.4619 3.824518 190.6208 3.120578 
-0.1588745     4.936086 
1 1 1 7   14  16 o 43.27697 3.343473  414.0656       57.34029 268.8698       
83.67133 542.6389       78.73631 35.74083 5.576133 50.81312 3.690798 -15.07229 
6.686946 
1 1 1 7   14  17 o 172.2336 2.669031  6240.915       192.7973 5933.831       
273.3228 6545.023       271.9952 168.0067 3.874986 176.4603 3.671430 -8.453598 
5.338063 
1 1 1 7   14  18 o 36.41097 3.317994  273.1704       50.18737 325.7199       
77.88808 235.8625       65.62768 39.34244 4.715533 33.47950 4.669056 5.862934 
6.635988 
1 1 1 7   14  19 o 316.7077 4.986592  21204.76       658.4193 21080.20       
989.6985 21303.66       881.8896 315.7498 7.465879 317.6656 6.612492 -1.915833 
9.973185 
1 1 1 7   14  20 o 147.7304 2.181681  4532.944       128.1954 4758.496       
222.3885 4420.696       156.8842 150.4170 3.521572 145.0439 2.576327 5.373093 
4.363362 
1 1 1 7   14  21 o 139.0811 2.546110  4064.185       146.4382 4104.685       
228.2043 4035.834       190.9340 139.6415 3.892516 138.5206 3.283143 1.120850 
5.092220 
1 1 1 7   14  22 o 117.8863 2.089667  2784.246       96.91176 3317.713       
176.2567 2553.087       116.0238 125.5650 3.343476 110.2077 2.507588 15.35724 
4.179334 
1 1 1 7   14  23 o 104.2507 2.264037  2282.496       98.15920 2321.843       
150.0200 2253.041       129.8010 105.0174 3.402585 103.4841 2.987620 1.533279 
4.528075 
1 1 1 7   14  24 f 83.64766 2.137221  1478.670       74.68278 1394.178       
109.2290 1552.842       102.3419 81.38189 3.196916 85.91343 2.837353 -4.531540 
4.274441 
1 1 1 7   14  25 o 39.16267 3.651931  323.6013       59.72269 330.6161       
89.62121 317.9979       80.09983 39.53057 5.400062 38.79476 4.917899 0.7358131 
7.303862 
1 1 1 7   14  26 o 80.87223 2.362169  1382.748       79.83125 1245.076       
113.8816 1515.767       111.9403 76.88386 3.528090 84.86060 3.141965 -7.976746 
4.724337 
1 1 1 7   14  27 o 144.6089 2.408125  4398.223       144.0581 4445.252       
224.2502 4365.178       187.9745 145.2241 3.678030 143.9937 3.109399 1.230347 
4.816250 
1 1 1 7   14  28 o 95.83043 2.311808  1938.127       92.88304 1856.055       
132.8612 2016.584       129.9017 93.83113 3.372659 97.82973 3.162751 -3.998596 
4.623616 
1 1 1 7   14  29 o 175.1499 2.816167  6427.081       199.8032 6717.373       
332.3802 6262.830       250.0188 178.0574 4.446275 172.2424 3.457432 5.814987 
5.632335 
1 1 1 7   14  30 o 48.09227 3.467232  507.2947       67.70295 379.6866       
99.17844 618.6506       92.64771 42.15357 5.604075 54.03098 4.084256 -11.87741 
6.934465 
1 1 1 7   14  31 o 86.50349 2.322394  1603.267       83.20452 1398.197       
122.6915 1777.886       113.2167 81.25076 3.596732 91.75622 2.938976 -10.50546 
4.644789 
1 1 1 7   14  32 o 149.6145 5.538033  4952.122       319.3607 4929.173       
576.4289 4962.286       383.6190 147.8378 9.287128 151.3912 6.035603 -3.553391 
11.07607 
1 1 1 7   14  33 o 60.79061 4.232990  766.6981       101.7093 924.5833       
183.2201 696.3730       122.2806 64.78985 6.735768 56.79137 5.128572 7.998482 
8.465981 
1 1 1 7   14  34 o 76.50592 4.746152  1315.156       138.1237 1269.205       
252.4143 1334.797       165.0233 74.57895 8.061554 78.43289 5.011506 -3.853943 
9.492304 
1 1 1 7   14  35 o 102.8695 3.799840  2363.259       160.1446 2112.244       
246.4562 2546.696       210.6849 97.47242 6.022532 108.2665 4.635112 -10.79411 
7.599681 
1 1 1 7   14  36 o 25.33846 7.280912  73.90914       111.4508 252.0199       
213.6111 7.288619       130.6420 31.35427 11.85218 19.32265 8.460058 12.03162 
14.56182 
1 1 1 7   14  37 o 20.83504 6.382645  35.02167       103.3231 -161.4013      
213.0014 95.46287       118.1552 19.57520 9.345154 22.09487 8.696016 -2.519663 
12.76529 
1 1 1 7   14  38 o 36.68858 7.294433  394.5847       113.3437 328.8156       
227.5276 416.2927       130.7176 32.59061 12.25428 40.78656 7.916285 -8.195950 
14.58887 
1 1 1 7   14  39 o 22.19238 6.922043  71.13287       115.0115 109.4483       
220.5596 56.82347       134.7875 24.19699 10.75769 20.18776 8.713831 4.009232 
13.84409 
1 1 1 7   14  40 o 21.46245 6.538321  88.59515       114.9242 -74.66180      
201.0321 167.8498       140.0690 18.84663 9.016745 24.07827 9.470842 -5.231636 
13.07664 
1 1 1 7   15  0  o 386.9068 3.720170  31612.32       595.3194 30730.68       
918.0140 32252.15       782.0530 382.1622 5.721668 391.6514 4.756173 -9.489166 
7.440341 
1 1 1 7   15  1  o 418.9713 4.682049  36893.08       781.3531 37169.27       
1338.201 36750.22       962.4498 419.9613 7.589852 417.9814 5.484566 1.979919 
9.364098 
1 1 1 7   15  2  o 210.8472 4.963034  9347.401       439.3332 9347.401       
439.3332 0.000000       0.000000 210.8472 4.963034 ?        ?        ? ? 
1 1 1 7   15  3  o 138.9037 2.510842  4009.440       139.3696 4195.637       
239.2591 3913.814       171.4628 141.3018 4.033128 136.5057 2.991852 4.796082 
5.021683 
1 1 1 7   15  4  o 367.2667 3.965725  28036.91       444.5377 28860.26       
1130.537 27886.33       483.4827 370.1704 7.274517 364.3630 3.160586 5.807343 
7.931450 
1 1 1 7   15  5  o 166.8939 2.089378  5932.220       132.5321 5655.707       
244.0878 6047.822       157.8228 164.0773 3.543386 169.7104 2.215044 -5.633072 
4.178756 
1 1 1 7   15  6  o 275.4224 2.412444  15982.14       277.0837 15502.12       
413.1607 16374.52       373.5391 271.6401 3.622816 279.2047 3.186651 -7.564606 
4.824887 
1 1 1 7   15  7  o 156.2414 1.889112  5101.049       117.9871 5209.963       
201.2735 5044.029       145.6335 157.4953 3.043967 154.9875 2.238132 2.507858 
3.778223 
1 1 1 7   15  8  o 341.6428 2.823248  24612.93       356.3871 24342.53       
693.4289 24710.00       415.4563 340.2818 4.853827 343.0038 2.885011 -2.721954 
5.646496 
1 1 1 7   15  9  o 390.5659 4.210248  32191.37       608.1269 31884.29       
1181.764 32301.98       709.2398 389.0872 7.234438 392.0446 4.309022 -2.957367 
8.420497 
1 1 1 7   15  10 o 34.07576 3.716360  225.2152       50.35073 305.8092       
90.85888 189.4956       60.48808 38.12858 5.675941 30.02293 4.798856 8.105644 
7.432720 
1 1 1 7   15  11 o 76.50293 2.447142  1245.891       74.48573 1177.276       
125.7629 1282.964       92.44402 74.84871 4.002112 78.15715 2.817287 -3.308441 
4.894283 
1 1 1 7   15  12 o 105.0755 1.981789  2301.868       85.28439 2395.010       
137.8269 2244.078       108.5644 106.7794 3.074451 103.3715 2.501541 3.407936 
3.963579 
1 1 1 7   15  13 o 42.30173 5.862161  376.5742       104.1106 0.000000       
0.000000 376.5742       104.1106 ?        ?        42.30173 5.862161 ? ? 
1 1 1 7   15  14 o 181.7363 2.485538  6918.691       180.4142 7008.423       
307.7019 6871.682       222.7133 182.6048 4.013646 180.8677 2.932960 1.737137 
4.971077 
1 1 1 7   15  15 o 166.6235 2.589551  5828.092       179.7469 5886.924       
272.2850 5782.652       239.2987 167.3566 3.875269 165.8905 3.435896 1.466141 
5.179102 
1 1 1 7   15  16 o 185.9085 2.658574  7263.012       204.9555 7276.471       
315.6768 7253.205       269.4766 186.0381 4.041678 185.7789 3.454981 0.2592163 
5.317148 
1 1 1 7   15  17 o 169.0292 1.879938  5989.370       131.6615 6079.434       
204.0430 5925.118       172.3407 170.1059 2.857088 167.9525 2.444120 2.153336 
3.759876 
1 1 1 7   15  18 o 105.8890 2.292899  2356.781       101.6198 2355.671       
149.6727 2357.729       138.4112 105.8606 3.367669 105.9174 3.112611 
-0.5684662E-01 4.585798 
1 1 1 7   15  19 o 209.5162 2.879767  9267.365       250.5641 9015.458       
380.7605 9459.776       332.7705 206.9579 4.382187 212.0745 3.737467 -5.116638 
5.759534 
1 1 1 7   15  20 o 133.4596 2.208285  3699.744       119.2658 3912.295       
199.4537 3581.446       148.7987 136.3808 3.483454 130.5384 2.715075 5.842316 
4.416569 
1 1 1 7   15  21 o 246.8311 3.672410  12693.41       364.6290 13421.59       
618.1876 12304.91       451.5399 252.0186 5.842634 241.6435 4.450841 10.37511 
7.344819 
1 1 1 7   15  22 o 112.5646 2.004738  2666.000       93.63316 2656.292       
143.6928 2673.164       123.4378 112.3705 3.045817 112.7588 2.607468 
-0.3882751     4.009475 
1 1 1 7   15  23 o 122.0421 2.329582  3137.833       119.2457 3067.981       
171.2745 3203.544       166.1213 120.7140 3.379529 123.3703 3.207272 -2.656281 
4.659164 
1 1 1 7   15  24 o 30.34332 4.358013  202.0193       53.62327 191.4372       
74.64108 213.3064       77.08760 29.48982 6.222413 31.19681 6.103334 -1.706987 
8.716026 
1 1 1 7   15  25 o 130.8038 2.147640  3612.123       116.7513 3514.888       
176.8824 3687.188       155.4153 129.2142 3.260585 132.3934 2.796072 -3.179184 
4.295280 
1 1 1 7   15  26 o 67.58513 2.579398  964.0894       72.98045 936.7244       
106.4269 988.3787       100.2681 66.66752 3.802402 68.50274 3.486390 -1.835220 
5.158796 
1 1 1 7   15  27 o 220.8229 2.933225  10261.58       257.5078 10382.11       
443.1178 10200.13       316.4215 221.6125 4.762621 220.0334 3.425299 1.579102 
5.866450 
1 1 1 7   15  28 o 105.7669 2.257974  2353.181       100.1674 2255.656       
138.0330 2461.668       145.5847 103.4583 3.177888 108.0755 3.208554 -4.617226 
4.515948 
1 1 1 7   15  29 o 104.1180 2.661206  2291.694       115.5585 2287.014       
173.5708 2295.420       154.8717 103.9813 3.975964 104.2546 3.538329 
-0.2732468     5.322411 
1 1 1 7   15  30 o 159.4652 2.518105  5363.743       165.5988 5449.843       
260.7007 5305.504       214.4111 160.4294 3.870608 158.5010 3.222081 1.928467 
5.036210 
1 1 1 7   15  31 o 50.84926 3.946248  547.3965       83.69335 483.7410       
111.2495 630.3990       127.0358 47.48806 5.580006 54.21045 5.581669 -6.722385 
7.892496 
1 1 1 7   15  32 o 38.58039 5.763894  342.2861       90.20526 353.2722       
122.6263 329.3307       133.1631 39.43151 7.681412 37.72927 8.595686 1.702244 
11.52779 
1 1 1 7   15  33 o 52.43400 4.628534  613.2762       99.75085 483.7607       
142.8701 736.4606       139.3344 46.66479 7.292442 58.20320 5.702068 -11.53841 
9.257068 
1 1 1 7   15  34 o 96.63461 3.654266  2033.671       139.5124 2021.076       
241.1788 2040.005       171.0318 95.82948 5.994611 97.43975 4.180823 -1.610275 
7.308532 
1 1 1 7   15  35 o 59.17516 6.236084  889.8553       130.3323 694.3860       
235.5585 976.0952       156.4636 51.84447 11.14242 66.50584 5.603696 -14.66136 
12.47217 
1 1 1 7   15  36 o 63.38583 5.161119  867.4958       121.8233 1078.335       
243.7036 797.2602       140.6585 66.94233 8.671261 59.82932 5.599805 7.113010 
10.32224 
1 1 1 7   15  37 o 26.15013 7.305469  76.19125       111.7719 337.6779       
218.1322 -16.90824      130.1574 34.06106 12.10518 18.23920 8.181931 15.82186 
14.61094 
1 1 1 7   15  38 o 43.48239 6.997937  566.0788       122.6342 376.7906       
226.2644 644.8126       145.9268 34.56352 12.32424 52.40125 6.633066 -17.83773 
13.99587 
1 1 1 7   15  39 o 62.88400 5.737543  1002.288       132.8871 1025.646       
252.8885 993.3776       156.1893 60.47303 9.960665 65.29497 5.697609 -4.821938 
11.47509 
1 1 1 7   15  40 o 22.60022 6.811333  124.4064       118.6743 -26.40276      
229.8708 179.2076       138.5687 20.57870 9.785768 24.62175 9.477118 -4.043055 
13.62267 
1 1 1 7   16  0  o 206.5926 3.181707  8892.261       208.9307 9101.427       
504.4943 8848.961       229.5403 207.9311 5.779070 205.2541 2.663718 2.677002 
6.363415 
1 1 1 7   16  1  o 134.2203 2.687302  3820.416       128.0844 3721.416       
263.3750 3851.084       146.5865 133.0298 4.715705 135.4107 2.578468 -2.380951 
5.374605 
1 1 1 7   16  2  o 316.2062 4.343115  21343.96       545.2507 20115.16       
923.6770 22001.15       675.5003 308.9699 7.120739 323.4425 4.974501 -14.47263 
8.686230 
1 1 1 7   16  3  o 66.51355 2.674968  929.1624       74.69778 0.000000       
0.000000 929.1624       74.69778 ?        ?        66.51355 2.674968 ? ? 
1 1 1 7   16  4  o 82.23322 2.239338  1402.782       73.72605 1478.714       
126.2620 1363.499       90.81618 83.89258 3.584845 80.57385 2.684666 3.318726 
4.478676 
1 1 1 7   16  5  o 273.5634 3.398947  15732.30       390.3300 15401.70       
548.8478 16070.62       555.2274 270.6537 4.830131 276.4730 4.783429 -5.819244 
6.797894 
1 1 1 7   16  6  o 170.4913 1.930961  6151.397       136.6165 5757.417       
205.6991 6462.344       182.7419 165.5621 2.959324 175.4205 2.481298 -9.858368 
3.861922 
1 1 1 7   16  7  o 193.7938 2.696981  7435.100       145.0844 8514.948       
424.1113 7291.982       154.3998 201.2324 5.019991 186.3551 1.973452 14.87729 
5.393962 
1 1 1 7   16  8  o 512.2932 6.220150  55422.68       910.8393 55320.71       
2484.967 55438.51       978.9734 511.0415 11.58205 513.5449 4.540603 -2.503387 
12.44030 
1 1 1 7   16  9  f 73.13031 2.299651  1161.163       66.74280 998.6705       
110.1008 1255.565       83.92003 68.93996 3.803999 77.32066 2.585182 -8.380699 
4.599302 
1 1 1 7   16  10 o 257.3396 3.569987  14097.76       362.1984 13419.49       
624.0684 14442.28       444.7732 252.5322 5.886220 262.1470 4.041240 -9.614853 
7.139973 
1 1 1 7   16  11 o 228.8360 2.764712  11008.89       265.2157 10925.67       
385.0139 11084.04       365.8618 228.0053 4.022097 229.6667 3.794374 -1.661362 
5.529425 
1 1 1 7   16  12 o 155.3696 1.846913  5054.370       118.7398 5160.758       
185.1241 4980.009       154.7702 156.7479 2.813080 153.9913 2.393935 2.756668 
3.693825 
1 1 1 7   16  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   16  14 f 58.46493 2.435839  724.4694       58.70775 560.5501       
82.16156 895.4675       83.91686 51.64320 3.789454 65.28666 3.061582 -13.64346 
4.871678 
1 1 1 7   16  15 o 91.42540 1.934126  1755.421       73.91843 1760.531       
109.8293 1751.190       99.94177 91.54405 2.857651 91.30676 2.607145 0.2372971 
3.868252 
1 1 1 7   16  16 o 231.5685 2.811699  11279.05       266.0769 11258.35       
428.3570 11292.06       339.5197 231.3514 4.410163 231.7854 3.488991 
-0.4340057     5.623397 
1 1 1 7   16  17 o 110.6611 1.859920  2573.539       86.38074 2506.434       
122.5271 2639.849       121.7978 109.2250 2.671968 112.0972 2.588010 -2.872185 
3.719840 
1 1 1 7   16  18 o 66.91789 2.300204  930.8785       63.78340 1004.185       
99.97430 880.5567       82.83149 69.10917 3.445671 64.72661 3.048131 4.382561 
4.600408 
1 1 1 7   16  19 o 227.6642 3.148453  10829.44       288.2378 11204.91       
486.7309 10626.64       357.7051 230.5838 5.027836 224.7447 3.791026 5.839157 
6.296905 
1 1 1 7   16  20 o 132.7872 2.354251  3623.441       127.0552 4041.526       
212.3963 3390.463       158.5519 138.5879 3.650420 126.9866 2.973957 11.60131 
4.708501 
1 1 1 7   16  21 o 121.5859 2.293681  3110.155       116.9369 3109.614       
169.6581 3110.644       161.3984 121.5691 3.324087 121.6027 3.161382 
-0.3362274E-01 4.587362 
1 1 1 7   16  22 o 80.61519 2.250763  1378.453       75.56335 1218.425       
109.2405 1525.268       104.6337 76.07793 3.420157 85.15244 2.926817 -9.074516 
4.501526 
1 1 1 7   16  23 o 113.4357 2.005327  2701.773       91.97533 2726.308       
152.4743 2687.739       115.3186 113.8073 3.191153 113.0642 2.429379 0.7430496 
4.010653 
1 1 1 7   16  24 o 76.26704 2.144704  1215.446       68.35129 1312.062       
102.9165 1139.198       91.42693 78.95499 3.104749 73.57909 2.959653 5.375900 
4.289407 
1 1 1 7   16  25 o 103.6978 2.299629  2262.130       99.98057 2293.255       
145.6623 2234.404       137.4800 104.3652 3.324394 103.0305 3.178299 1.334694 
4.599259 
1 1 1 7   16  26 o 30.82281 4.585410  209.4238       57.42249 213.4967       
79.81568 205.0537       82.67511 31.16721 6.320072 30.47842 6.645346 0.6887875 
9.170820 
1 1 1 7   16  27 o 72.13957 2.481308  1098.527       74.88010 1074.729       
110.0054 1119.074       102.2160 71.39695 3.669911 72.88219 3.340554 -1.485245 
4.962615 
1 1 1 7   16  28 o 47.60985 3.090074  480.4083       61.61953 462.8167       
89.22382 496.4495       85.20160 46.76009 4.544923 48.45960 4.187829 -1.699512 
6.180149 
1 1 1 7   16  29 o 108.7077 2.378917  2472.722       106.4754 2604.775       
169.8243 2387.190       136.6751 111.0250 3.643343 106.3904 3.059906 4.634613 
4.757833 
1 1 1 7   16  30 o 76.10547 2.422524  1222.630       77.32895 1262.605       
112.4147 1186.723       106.5408 77.27863 3.464854 74.93232 3.386631 2.346306 
4.845047 
1 1 1 7   16  31 o 93.18246 3.439285  1848.920       134.3428 1941.737       
196.7737 1767.883       183.8617 95.35053 4.915469 91.01438 4.811743 4.336151 
6.878569 
1 1 1 7   16  32 o 70.81365 3.429863  1076.141       101.7958 1007.674       
144.2385 1144.083       143.6851 68.51665 5.014251 73.11065 4.681146 -4.593994 
6.859726 
1 1 1 7   16  33 o 79.21034 3.420156  1350.187       113.6524 1279.529       
158.2317 1425.487       163.3480 77.04879 4.891576 81.37189 4.781459 -4.323105 
6.840312 
1 1 1 7   16  34 o 36.92561 6.228677  326.9796       95.31874 350.4339       
137.0437 305.0001       132.6651 38.27042 8.720757 35.58080 8.895732 2.689629 
12.45735 
1 1 1 7   16  35 o 77.26874 3.607620  1305.103       116.9342 1357.199       
169.6469 1257.948       161.4008 78.71588 5.133394 75.82160 5.070302 2.894279 
7.215241 
1 1 1 7   16  36 o 45.64005 6.928055  592.6642       122.9631 367.0355       
224.0417 689.9278       147.0979 36.08813 12.31633 55.19196 6.348217 -19.10383 
13.85611 
1 1 1 7   16  37 o 72.06940 5.200146  1121.337       139.1376 1471.627       
282.2783 1008.917       159.9135 77.26402 8.702044 66.87478 5.695656 10.38924 
10.40029 
1 1 1 7   16  38 o 20.27942 6.576518  -16.71316      112.9388 4.094229       
221.1787 -24.05183      131.3540 22.72078 10.36514 17.83806 8.097294 4.882713 
13.15304 
1 1 1 7   16  39 o 32.25862 6.926255  345.5578       120.2258 92.82028       
236.9652 433.1664       139.5157 24.18379 10.93451 40.33346 8.504622 -16.14967 
13.85251 
1 1 1 7   16  40 o 78.45260 5.492761  1577.093       157.6834 1693.796       
305.7525 1534.806       184.0471 76.29987 9.544812 80.60533 5.438589 -4.305466 
10.98552 
1 1 1 7   17  0  o 144.7639 1.979069  4347.072       87.10896 4483.669       
222.7599 4322.414       94.64539 146.0501 3.632923 143.4777 1.571217 2.572418 
3.958138 
1 1 1 7   17  1  o 101.7030 1.826004  2134.861       68.49095 2251.766       
135.7751 2094.959       79.32295 103.5234 3.123940 99.88273 1.891601 3.640640 
3.652007 
1 1 1 7   17  2  o 209.7248 2.766612  9078.718       142.6574 9453.266       
467.9996 9040.352       149.7859 211.9527 5.259296 207.4970 1.719413 4.455734 
5.533225 
1 1 1 7   17  3  o 238.2508 3.511603  11931.61       243.3527 11952.04       
651.5496 11928.30       262.3378 238.1927 6.515385 238.3089 2.622055 
-0.1161957     7.023205 
1 1 1 7   17  4  o 127.3297 2.867313  3445.670       138.0342 3320.425       
257.1464 3496.367       163.6029 125.6488 4.874646 129.0105 3.020558 -3.361664 
5.734627 
1 1 1 7   17  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   17  6  o 105.3525 2.907098  2188.645       106.7454 2596.175       
236.0668 2083.901       119.6797 111.1007 5.061032 99.60426 2.861962 11.49648 
5.814196 
1 1 1 7   17  7  o 150.9055 2.285736  4593.750       111.5393 5086.683       
268.5775 4491.016       122.6129 155.5657 4.112225 146.2453 1.996987 9.320358 
4.571472 
1 1 1 7   17  8  o 277.1094 2.527278  16086.83       289.6788 16413.26       
452.1619 15859.57       377.2691 279.4648 3.853788 274.7541 3.270606 4.710724 
5.054557 
1 1 1 7   17  9  o 112.1128 2.042310  2590.003       90.88808 2792.519       
159.2729 2492.213       110.6774 115.2901 3.290570 108.9356 2.419972 6.354477 
4.084619 
1 1 1 7   17  10 o 252.6308 2.294338  13420.14       243.0704 13703.40       
338.0591 13116.95       349.7458 255.3990 3.152786 249.8627 3.334050 5.536346 
4.588676 
1 1 1 7   17  11 o 186.2741 2.093119  7308.830       162.4209 7120.855       
243.7232 7459.005       217.8450 184.1046 3.153212 188.4435 2.753515 -4.338837 
4.186238 
1 1 1 7   17  12 o 19.70921 4.375847  66.12838       44.99436 136.7993       
66.80790 7.463265       60.86919 25.00201 6.350216 14.41640 6.022202 10.58561 
8.751695 
1 1 1 7   17  13 f 148.3474 3.927139  4626.109       244.5881 4626.109       
244.5881 0.000000       0.000000 148.3474 3.927139 ?        ?        ? ? 
1 1 1 7   17  14 o 212.2494 2.206997  9449.354       195.8907 9644.333       
291.5223 9288.839       264.5064 214.2343 3.241186 210.2645 2.996342 3.969788 
4.413995 
1 1 1 7   17  15 f 62.36533 2.382622  806.9673       61.98297 930.1700       
93.94837 712.0051       82.48116 66.52656 3.363685 58.20410 3.375376 8.322456 
4.765243 
1 1 1 7   17  16 o 187.4473 2.318672  7212.857       157.1881 7725.431       
322.1106 7052.640       180.0866 191.6584 4.003117 183.2363 2.340945 8.422119 
4.637345 
1 1 1 7   17  17 o 64.99054 2.215416  887.8909       60.33300 886.2759       
88.04400 889.3206       82.84099 64.93217 3.229691 65.04890 3.033377 
-0.1167374     4.430832 
1 1 1 7   17  18 o 204.8319 2.879128  8844.361       246.9958 8575.558       
358.7089 9086.713       340.6037 201.8467 4.232934 207.8171 3.903815 -5.970367 
5.758255 
1 1 1 7   17  19 o 227.5584 3.398343  10864.55       318.7228 11167.27       
504.1441 10663.01       411.3612 230.1058 5.218529 225.0109 4.354525 5.094894 
6.796685 
1 1 1 7   17  20 o 108.5147 2.191379  2463.249       99.09393 2581.965       
151.0016 2373.451       131.3287 110.7887 3.246438 106.2408 2.944351 4.547943 
4.382758 
1 1 1 7   17  21 o 125.4869 2.389161  3331.778       125.1379 3099.689       
182.9548 3535.809       171.5396 121.3374 3.591453 129.6364 3.151798 -8.298981 
4.778322 
1 1 1 7   17  22 o 62.45818 2.442723  807.4622       63.36834 994.7047       
96.33446 664.6487       84.13251 68.73878 3.338112 56.17757 3.567155 12.56122 
4.885446 
1 1 1 7   17  23 o 133.7932 1.898401  3760.402       106.4828 3682.713       
146.1207 3848.379       155.4949 132.3268 2.630178 135.2597 2.738224 -2.932861 
3.796802 
1 1 1 7   17  24 o 26.51010 4.661542  155.3736       51.41853 150.9075       
78.03833 158.7999       68.35380 26.18051 6.973083 26.83968 6.188376 
-0.6591682     9.323084 
1 1 1 7   17  25 o 34.64796 4.225331  275.3102       56.83830 194.3944       
88.57962 331.9436       74.10603 29.63692 7.183631 39.65901 4.450745 -10.02209 
8.450663 
1 1 1 7   17  26 o 121.1722 2.204702  3082.675       109.8268 3131.052       
174.5920 3050.996       141.2807 121.9231 3.410825 120.4212 2.794479 1.501938 
4.409404 
1 1 1 7   17  27 o 173.1710 2.795550  6327.963       200.9511 6335.398       
308.2354 6322.468       265.0125 173.1900 4.239169 173.1520 3.645524 
0.3807068E-01  5.591100 
1 1 1 7   17  28 o 68.82344 2.672554  1002.032       77.09028 958.0016       
110.5939 1043.646       107.5155 67.33553 3.912081 70.31136 3.642225 -2.975830 
5.345109 
1 1 1 7   17  29 o 19.54666 5.068234  66.01172       54.95062 82.68932       
78.03992 49.61160       77.38799 20.69473 7.251858 18.39859 7.082271 2.296137 
10.13647 
1 1 1 7   17  30 o 43.44755 3.167289  400.7714       57.73797 412.4724       
83.47578 390.0391       79.94619 44.05082 4.513647 42.84427 4.444532 1.206547 
6.334578 
1 1 1 7   17  31 o 23.01996 6.307410  74.40154       90.00730 15.06156       
129.6859 129.5495       125.0213 20.43722 8.675706 25.60270 9.157827 -5.165487 
12.61482 
1 1 1 7   17  32 o 22.26073 6.284771  60.31111       90.88765 7.122507       
130.2221 110.8292       126.9109 20.03104 8.604002 24.49043 9.163217 -4.459391 
12.56954 
1 1 1 7   17  33 o 18.59205 5.789376  -29.46947      90.10404 31.67773       
127.1439 -91.16306      127.7107 20.61866 8.663159 16.56543 7.682264 4.053230 
11.57875 
1 1 1 7   17  34 o 46.95544 4.735311  500.0651       88.58435 638.9651       
127.6234 370.9297       123.0558 53.98875 5.630516 39.92214 7.615113 14.06662 
9.470621 
1 1 1 7   17  35 o 96.45447 3.156147  2018.277       127.5903 2171.580       
181.9586 1869.988       178.9586 100.1516 4.327487 92.75732 4.595422 7.394302 
6.312294 
1 1 1 7   17  36 o 18.12637 5.770891  -30.24551      93.07999 -48.13049      
133.7522 -13.44981      129.6152 17.73439 8.082287 18.51834 8.239501 
-0.7839546     11.54178 
1 1 1 7   17  37 o 19.68560 5.906198  40.09727       84.42854 48.84092       
127.0161 33.17590       113.0078 20.38900 8.617031 18.98220 8.079572 1.406797 
11.81240 
1 1 1 7   17  38 o 45.67937 7.144454  595.8802       123.1173 504.3201       
237.3618 629.5802       144.0033 39.60464 12.65896 51.75409 6.627484 -12.14945 
14.28891 
1 1 1 7   17  39 o 26.11644 7.599549  148.5798       122.8418 330.8125       
231.0601 76.77811       145.0372 30.94796 12.16691 21.28492 9.109276 9.663042 
15.19910 
1 1 1 7   17  40 o 42.72409 6.705822  563.8380       112.3283 471.0601       
203.3856 604.5588       134.7426 36.02328 11.73484 49.42490 6.493522 -13.40162 
13.41164 
1 1 1 7   18  0  o 134.5521 2.022370  3818.879       106.0489 3764.949       
188.5319 3843.840       128.2646 133.8286 3.355499 135.2756 2.258440 -1.447021 
4.044740 
1 1 1 7   18  1  o 44.84415 2.292927  416.5114       41.25320 443.2067       
70.46867 402.5926       50.88364 45.91414 3.655702 43.77415 2.768735 2.139984 
4.585853 
1 1 1 7   18  2  o 241.0933 2.876499  12348.64       192.1312 12056.44       
541.3288 12390.76       205.5111 239.2848 5.388490 242.9018 2.015235 -3.616959 
5.752999 
1 1 1 7   18  3  o 175.9798 2.710172  6468.710       159.9595 6580.089       
359.7584 6441.266       178.5833 176.8407 4.845623 175.1189 2.429006 1.721802 
5.420344 
1 1 1 7   18  4  o 185.9656 2.669240  7383.230       178.4536 7048.882       
358.5635 7493.314       205.7447 183.0567 4.665536 188.8745 2.594636 -5.817764 
5.338480 
1 1 1 7   18  5  o 26.50455 4.440216  132.9282       45.48291 217.5374       
86.42068 100.5141       53.49036 31.52018 6.728468 21.48891 5.795668 10.03127 
8.880431 
1 1 1 7   18  6  o 179.4278 2.678759  6671.163       158.2564 6921.922       
366.4828 6613.685       175.4588 181.4002 4.812127 177.4554 2.355088 3.944809 
5.357518 
1 1 1 7   18  7  f 203.1430 6.695193  8697.154       571.0103 8697.154       
571.0103 0.000000       0.000000 203.1430 6.695193 ?        ?        ? ? 
1 1 1 7   18  8  o 234.4385 4.361928  11537.09       316.4174 11634.45       
786.9045 11518.31       345.5870 234.7605 7.983957 234.1166 3.515979 0.6438751 
8.723857 
1 1 1 7   18  9  o 247.6194 2.190629  12890.69       227.4045 12713.20       
329.3578 13052.38       314.3631 245.9832 3.189214 249.2556 3.004053 -3.272461 
4.381258 
1 1 1 7   18  10 o 204.3156 2.239603  8804.484       190.6383 8476.967       
284.9029 9070.018       256.5303 200.8490 3.378690 207.7822 2.940705 -6.933182 
4.479206 
1 1 1 7   18  11 o 225.7413 2.059871  10687.48       194.6958 10469.65       
264.6122 10944.60       287.4915 223.2431 2.823273 228.2395 3.000235 -4.996399 
4.119743 
1 1 1 7   18  12 o 177.2737 2.776004  6632.211       180.3871 6554.850       
355.2140 6659.094       209.3972 176.5084 4.793423 178.0390 2.801410 -1.530579 
5.552009 
1 1 1 7   18  13 o 156.9485 2.056196  4967.816       116.9759 5589.519       
241.6121 4777.474       133.6888 163.0720 3.529070 150.8250 2.111264 12.24706 
4.112393 
1 1 1 7   18  14 o 277.8711 2.930974  16105.85       305.1384 16536.12       
586.1454 15945.89       357.3844 280.2769 4.981260 275.4653 3.090223 4.811554 
5.861948 
1 1 1 7   18  15 o 82.58685 2.068097  1429.638       71.27981 1465.458       
107.3870 1401.426       95.30148 83.50509 3.063089 81.66862 2.779492 1.836464 
4.136193 
1 1 1 7   18  16 o 215.5968 2.952183  9594.187       249.2082 10293.07       
448.1004 9281.229       299.8584 221.0874 4.827612 210.1062 3.399370 10.98120 
5.904367 
1 1 1 7   18  17 f 88.20274 2.030574  1616.057       74.39355 1761.798       
115.6601 1513.213       97.15870 91.54964 3.009179 84.85583 2.727226 6.693817 
4.061147 
1 1 1 7   18  18 o 93.92241 2.073067  1853.025       81.55591 1875.541       
119.7998 1833.577       111.3393 94.44946 3.021188 93.39536 2.839515 1.054100 
4.146134 
1 1 1 7   18  19 o 98.21164 2.035428  2031.431       83.71891 1868.058       
118.4476 2194.521       118.3453 94.25279 2.993320 102.1705 2.758967 -7.917694 
4.070856 
1 1 1 7   18  20 f 38.07904 3.227103  297.7969       50.75227 350.9688       
81.20792 263.7183       65.01273 40.78842 4.742229 35.36966 4.378130 5.418766 
6.454205 
1 1 1 7   18  21 o 129.0672 1.979953  3483.747       106.4589 3657.803       
162.4981 3352.865       140.9105 131.8631 2.935256 126.2712 2.658030 5.591896 
3.959905 
1 1 1 7   18  22 o 126.5717 1.876324  3345.403       99.18543 3149.306       
132.3275 3596.829       149.8376 122.3758 2.575583 130.7677 2.729238 -8.391899 
3.752648 
1 1 1 7   18  23 o 43.12955 3.308586  391.0298       59.59056 451.9608       
87.27524 337.8150       81.56211 46.27277 4.492485 39.98634 4.858451 6.286423 
6.617172 
1 1 1 7   18  24 o 168.2920 2.752953  5965.436       191.6142 5993.797       
298.0744 5945.460       250.1491 168.5744 4.211668 168.0096 3.546386 0.5648651 
5.505906 
1 1 1 7   18  25 o 197.6198 2.591354  8214.922       209.7571 8290.441       
336.4434 8166.904       268.2797 198.2823 4.041561 196.9572 3.244419 1.325058 
5.182709 
1 1 1 7   18  26 o 45.71317 3.358144  440.2184       64.31610 464.3560       
94.76126 419.6023       87.57641 46.86667 4.816014 44.55967 4.681297 2.306999 
6.716289 
1 1 1 7   18  27 o 63.23926 2.683028  842.2615       71.11263 914.9170       
102.9289 775.9086       98.36331 65.84946 3.723111 60.62906 3.864323 5.220409 
5.366055 
1 1 1 7   18  28 o 113.9075 2.169228  2732.190       103.6507 2809.569       
150.3674 2662.137       143.0731 115.4368 3.102632 112.3783 3.032471 3.058578 
4.338457 
1 1 1 7   18  29 o 101.8486 2.241698  2167.756       95.23570 2379.228       
145.0950 2007.691       126.2334 106.1541 3.255645 97.54317 3.082469 8.610893 
4.483396 
1 1 1 7   18  30 o 99.71391 1.999104  2088.269       83.43715 2220.290       
124.0167 1979.091       112.7782 102.5703 2.879915 96.85755 2.773402 5.712708 
3.998209 
1 1 1 7   18  31 o 91.56209 3.117264  1786.185       119.8054 1770.487       
167.4346 1802.655       171.4993 91.16032 4.374822 91.96385 4.441875 
-0.8035355     6.234527 
1 1 1 7   18  32 o 55.41170 4.296508  668.5856       99.71646 619.6053       
141.3977 717.0466       140.6460 53.31219 6.317380 57.51121 5.825002 -4.199017 
8.593017 
1 1 1 7   18  33 o 47.85781 4.875078  507.2432       97.88021 531.8970       
141.4754 484.6076       135.5610 48.97683 6.880364 46.73879 6.908412 2.238041 
9.750156 
1 1 1 7   18  34 o 20.32225 6.030225  13.41376       92.45710 -80.33314      
133.1215 100.7764       128.5087 17.11393 7.900806 23.53058 9.112175 -6.416658 
12.06045 
1 1 1 7   18  35 o 17.96017 5.469085  -33.28275      83.82736 -173.6627      
124.2862 83.87276       113.5407 14.13481 6.836485 21.78552 8.538502 -7.650709 
10.93817 
1 1 1 7   18  36 o 28.27259 6.752131  199.1259       95.33814 187.8709       
136.3021 209.9069       133.4016 27.64953 9.593892 28.89566 9.503804 -1.246130 
13.50426 
1 1 1 7   18  37 o 28.36853 6.852404  207.8547       98.06805 221.4734       
142.3869 195.5642       135.2653 29.07803 9.818653 27.65903 9.561162 1.419003 
13.70481 
1 1 1 7   18  38 o 38.48158 6.320953  390.8477       100.4910 437.5114       
141.8055 343.7734       142.4279 41.29036 8.471536 35.67280 9.383544 5.617558 
12.64191 
1 1 1 7   18  39 o 79.22189 4.543737  1401.735       133.7487 1755.291       
267.8106 1284.250       154.3795 83.30750 7.657107 75.13629 4.893967 8.171211 
9.087475 
1 1 1 7   18  40 o 39.72025 8.047945  530.7370       131.5246 610.5125       
275.0866 507.0961       149.7501 36.93765 13.54709 42.50286 8.692178 -5.565205 
16.09589 
1 1 1 7   19  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   19  1  o 116.7803 2.043385  2852.550       89.85493 2897.120       
170.7731 2835.487       105.6642 117.3775 3.465418 116.1832 2.166235 1.194366 
4.086771 
1 1 1 7   19  2  o 69.99240 2.042850  1011.796       58.02709 1097.166       
96.87067 964.0201       72.46710 72.24684 3.193703 67.73795 2.548179 4.508888 
4.085701 
1 1 1 7   19  3  o 179.9482 3.187921  6696.890       200.4488 7027.704       
429.4718 6604.755       226.6499 182.6181 5.601598 177.2784 3.045235 5.339722 
6.375842 
1 1 1 7   19  4  o 32.59383 3.509327  206.7942       45.69434 281.3521       
81.47053 172.5760       55.19278 36.55022 5.309231 28.63744 4.590597 7.912775 
7.018655 
1 1 1 7   19  5  o 131.1251 2.341118  3638.295       122.5789 3533.095       
206.9232 3695.172       152.1486 129.6293 3.802131 132.6209 2.732606 -2.991592 
4.682236 
1 1 1 7   19  6  o 99.59927 2.244745  2081.375       88.29138 2094.336       
153.8500 2075.011       107.8118 99.81175 3.671445 99.38680 2.583799 0.4249496 
4.489490 
1 1 1 7   19  7  o 138.9317 2.783993  4108.762       143.9676 3949.418       
274.8538 4169.011       169.0072 136.9982 4.778678 140.8651 2.857742 -3.866852 
5.567985 
1 1 1 7   19  8  o 117.9575 2.636624  2922.938       130.5728 0.000000       
0.000000 2922.938       130.5728 ?        ?        117.9575 2.636624 ? ? 
1 1 1 7   19  9  o 249.0339 3.477352  12923.42       344.2555 13449.91       
596.6365 12660.66       421.4951 252.7002 5.623742 245.3676 4.091630 7.332626 
6.954704 
1 1 1 7   19  10 o 205.4596 2.789522  8854.291       231.4803 8796.204       
289.6975 8956.869       384.9816 204.5764 3.372952 206.3428 4.443975 -1.766403 
5.579043 
1 1 1 7   19  11 o 110.4762 1.881543  2562.676       87.19948 2597.147       
126.2154 2531.197       120.6127 111.1852 2.703874 109.7672 2.617228 1.417923 
3.763086 
1 1 1 7   19  12 o 186.2240 4.893954  7300.087       382.6260 0.000000       
0.000000 7300.087       382.6260 ?        ?        186.2240 4.893954 ? ? 
1 1 1 7   19  13 o 298.6674 3.626317  18510.74       410.7151 19427.32       
777.4490 18155.91       483.7253 303.5202 6.101060 293.8145 3.921450 9.705750 
7.252635 
1 1 1 7   19  14 o 34.18660 3.471040  247.6199       46.59871 353.9305       
70.12815 163.5691       62.35554 41.01649 4.072442 27.35670 5.622071 13.65980 
6.942080 
1 1 1 7   19  15 o 140.4010 2.168811  4002.889       120.1089 4550.142       
215.4663 3756.175       144.6714 147.0988 3.488922 133.7031 2.577283 13.39566 
4.337622 
1 1 1 7   19  16 o 126.7581 1.933188  3377.336       102.8643 3334.841       
146.0943 3419.115       144.8577 125.9657 2.762499 127.5506 2.705081 -1.584831 
3.866375 
1 1 1 7   19  17 f 74.14539 2.149863  1125.932       65.80318 1321.791       
105.4803 1001.141       84.19579 79.28223 3.168958 69.00853 2.906087 10.27370 
4.299726 
1 1 1 7   19  18 o 150.5051 2.366187  4776.126       148.5482 4665.465       
221.6746 4866.324       200.1313 148.8990 3.546053 152.1111 3.133827 -3.212128 
4.732374 
1 1 1 7   19  19 o 92.86071 2.020073  1815.373       78.64615 1711.624       
111.5155 1918.039       110.9317 90.21299 2.944335 95.50843 2.766527 -5.295441 
4.040146 
1 1 1 7   19  20 o 84.96416 2.146688  1512.901       76.33106 1589.448       
113.5098 1449.710       103.1318 86.91374 3.110758 83.01456 2.959097 3.899178 
4.293375 
1 1 1 7   19  21 o 103.9158 2.024722  2260.827       87.20384 2338.303       
135.5436 2206.111       113.9085 105.4113 3.062760 102.4203 2.649056 2.990997 
4.049444 
1 1 1 7   19  22 o 239.4546 3.564438  12085.83       349.1353 12274.40       
562.8005 11967.85       445.1426 240.7859 5.567298 238.1233 4.452647 2.662552 
7.128876 
1 1 1 7   19  23 o 61.64347 2.574981  800.1951       66.60423 810.0728       
96.03228 791.0396       92.45474 62.00700 3.688906 61.27994 3.593618 0.7270546 
5.149963 
1 1 1 7   19  24 f 101.0052 2.162023  2146.652       91.59937 2025.120       
128.4294 2272.486       130.6822 98.09074 3.118584 103.9196 2.995296 -5.828896 
4.324045 
1 1 1 7   19  25 f 108.2305 2.044409  2464.788       92.89188 2472.527       
132.0694 2457.212       130.6796 108.3977 2.902039 108.0634 2.880383 0.3342896 
4.088819 
1 1 1 7   19  26 o 58.73753 2.711597  726.5436       66.71785 660.8185       
92.47495 797.8939       96.35093 55.96407 3.935826 61.51099 3.730991 -5.546925 
5.423193 
1 1 1 7   19  27 o 70.30226 2.321242  1040.838       68.47338 998.9543       
95.08685 1085.953       98.68533 68.83414 3.290316 71.77037 3.275130 -2.936226 
4.642483 
1 1 1 7   19  28 o 99.03220 2.007722  2050.190       82.78487 2191.730       
127.0279 1945.693       109.1470 101.9614 2.967457 96.10299 2.705178 5.858429 
4.015444 
1 1 1 7   19  29 o 111.4305 1.795001  2609.779       83.81649 2716.002       
123.1815 2518.199       114.3765 113.5293 2.584394 109.3318 2.491790 4.197495 
3.590002 
1 1 1 7   19  30 o 52.56430 3.974171  591.6792       87.42524 602.3293       
129.3480 582.7219       118.6230 52.95967 5.817489 52.16892 5.415992 0.7907562 
7.948342 
1 1 1 7   19  31 o 78.67727 3.420667  1320.172       112.7339 1387.318       
166.3823 1263.184       153.2818 80.49401 4.923395 76.86053 4.750162 3.633484 
6.841334 
1 1 1 7   19  32 o 53.77306 4.453020  633.3550       100.0830 606.0269       
146.4944 657.2747       137.0543 52.56628 6.637965 54.97984 5.937589 -2.413567 
8.906040 
1 1 1 7   19  33 o 66.51408 3.771870  960.8668       105.2971 983.3117       
151.2132 939.7374       146.7138 67.25891 5.355019 65.76925 5.313358 1.489662 
7.543739 
1 1 1 7   19  34 o 53.13049 4.176710  623.1391       92.43070 726.8873       
133.3561 527.2163       128.2282 57.55282 5.519086 48.70816 6.270511 8.844666 
8.353419 
1 1 1 7   19  35 o 38.01291 5.577775  349.9599       88.15651 220.9087       
124.6504 479.1010       124.6939 29.90964 9.108652 46.11617 6.440402 -16.20654 
11.15555 
1 1 1 7   19  36 o 25.01645 6.445659  125.3643       95.08486 231.7205       
135.8551 23.23668       133.1270 30.09300 9.572820 19.93991 8.634071 10.15310 
12.89132 
1 1 1 7   19  37 o 59.66408 4.338998  815.1929       108.6428 813.9042       
155.7324 816.4145       151.6376 59.54177 6.229859 59.78639 6.041233 
-0.2446213     8.677997 
1 1 1 7   19  38 o 58.69082 4.339673  801.9365       106.5951 767.3057       
154.3032 833.5500       147.4282 57.20449 6.424891 60.17715 5.835392 -2.972656 
8.679345 
1 1 1 7   19  39 o 20.00698 6.003696  15.04604       98.67329 170.6847       
139.8987 -139.0288      139.1941 24.91528 9.540661 15.09869 7.290627 9.816595 
12.00739 
1 1 1 7   19  40 o 24.87156 6.493122  182.0847       90.43835 209.7074       
127.9393 154.4967       127.8590 26.32174 9.279155 23.42138 9.085141 2.900358 
12.98624 
1 1 1 7   20  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   20  1  o 165.1779 2.452530  5726.025       119.2703 5759.148       
315.0386 5720.483       128.8622 165.3284 4.538762 165.0274 1.859904 0.3009338 
4.905059 
1 1 1 7   20  2  o 200.0157 3.239213  8518.963       240.0640 8231.746       
462.0735 8625.150       280.9579 197.5137 5.572305 202.5176 3.304453 -5.003922 
6.478426 
1 1 1 7   20  3  o 83.61324 2.208554  1491.832       72.58997 1405.846       
125.4489 1535.114       89.00391 81.75147 3.655041 85.47499 2.480225 -3.723518 
4.417108 
1 1 1 7   20  4  o 40.07608 2.943420  322.7437       46.12609 379.7425       
84.70333 298.7154       54.99571 42.46254 4.751335 37.68963 3.475586 4.772907 
5.886840 
1 1 1 7   20  5  o 298.0441 5.525313  18858.70       614.5638 18686.66       
1176.254 18923.30       720.7655 296.5272 9.448389 299.5610 5.730992 -3.033844 
11.05063 
1 1 1 7   20  6  o 71.58243 2.576608  1116.226       73.83223 931.2621       
118.2537 1234.391       94.51839 66.52573 4.233955 76.63911 2.937561 -10.11338 
5.153217 
1 1 1 7   20  7  o 117.1219 2.579312  2974.065       113.5433 2680.730       
209.7125 3095.713       135.0500 112.8614 4.425885 121.3825 2.650082 -8.521126 
5.158623 
1 1 1 7   20  8  o 97.48608 1.859718  1962.151       73.59122 2129.242       
122.8062 1868.531       91.92417 100.6586 2.905967 94.31357 2.321542 6.345016 
3.719435 
1 1 1 7   20  9  o 188.9486 2.756760  7512.719       195.9844 7501.104       
371.3343 7517.204       230.7387 188.7648 4.685600 189.1325 2.905864 
-0.3677063     5.513519 
1 1 1 7   20  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   20  11 o 243.5434 5.029266  12548.35       513.6215 12860.68       
714.9924 12215.32       738.3097 246.7259 6.902522 240.3609 7.316371 6.364944 
10.05853 
1 1 1 7   20  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   20  13 o 57.52534 2.194782  695.4054       52.69730 598.5061       
73.13147 800.0605       76.00186 53.35413 3.264805 61.69655 2.934164 -8.342415 
4.389564 
1 1 1 7   20  14 o 191.4297 1.712419  7696.428       137.5297 7780.994       
198.6904 7618.645       190.5571 192.4361 2.459300 190.4234 2.383559 2.012650 
3.424837 
1 1 1 7   20  15 o 115.0655 1.933284  2749.693       91.43253 2940.970       
147.0603 2629.163       116.7381 118.2760 2.961557 111.8551 2.485867 6.420883 
3.866569 
1 1 1 7   20  16 o 19.04128 4.051682  55.36415       44.92155 -46.17831      
65.36897 146.2258       61.83553 12.28000 5.614606 25.80256 5.843005 -13.52256 
8.103364 
1 1 1 7   20  17 o 174.3225 2.189179  6395.922       158.3676 6361.308       
242.7948 6421.556       208.9319 173.8858 3.325801 174.7593 2.847643 
-0.8735046     4.378359 
1 1 1 7   20  18 o 241.7835 1.949162  12281.34       197.5863 12092.81       
271.5075 12493.60       288.0875 239.8214 2.696589 243.7455 2.815197 -3.924072 
3.898324 
1 1 1 7   20  19 o 57.19645 2.372110  685.2619       56.55587 808.8035       
82.97557 578.0684       77.29083 61.99530 3.187958 52.39761 3.513481 9.597691 
4.744220 
1 1 1 7   20  20 o 102.5629 1.920061  2206.380       82.53733 2391.832       
120.0320 2040.044       113.6778 106.6424 2.680948 98.48344 2.749373 8.158966 
3.840121 
1 1 1 7   20  21 o 62.80542 2.205543  822.9760       57.87906 755.9431       
77.39848 908.0191       87.17815 59.93167 3.076076 65.67917 3.161557 -5.747494 
4.411087 
1 1 1 7   20  22 o 138.3395 1.993544  4025.952       115.7203 4023.570       
160.9708 4028.501       166.4744 138.3021 2.772295 138.3770 2.865528 
-0.7487488E-01 3.987088 
1 1 1 7   20  23 o 118.8388 2.325033  2973.590       115.9867 2946.010       
164.8870 3000.604       163.1862 118.2899 3.320166 119.3877 3.255703 -1.097824 
4.650065 
1 1 1 7   20  24 o 106.5013 1.924970  2369.601       85.57098 2244.349       
113.9066 2531.860       129.6469 103.3005 2.626439 109.7021 2.814934 -6.401611 
3.849940 
1 1 1 7   20  25 o 112.9370 2.075145  2686.607       98.16567 2652.402       
143.2879 2716.862       134.7587 112.2481 3.040548 113.6259 2.824885 -1.377792 
4.150290 
1 1 1 7   20  26 o 121.3293 2.244171  3078.110       113.3808 2929.928       
149.5995 3278.103       173.7968 117.9451 3.021142 124.7134 3.319324 -6.768280 
4.488341 
1 1 1 7   20  27 o 30.26460 4.713904  202.7987       61.11861 297.2958       
87.06339 110.9824       85.81955 37.37993 5.547766 23.14927 7.622721 14.23067 
9.427809 
1 1 1 7   20  28 o 63.85899 2.419038  857.0020       64.29208 710.3502       
87.77946 1026.717       94.42979 57.97309 3.606513 69.74490 3.224910 -11.77180 
4.838077 
1 1 1 7   20  29 o 91.84089 2.188435  1781.613       84.32872 1706.428       
119.1092 1857.176       119.4090 89.88675 3.156246 93.79503 3.032342 -3.908279 
4.376870 
1 1 1 7   20  30 o 33.87170 6.094404  255.3985       87.55539 341.2249       
133.5560 190.7122       115.9468 38.63206 8.466069 29.11135 8.768849 9.520716 
12.18881 
1 1 1 7   20  31 o 51.09502 4.455781  562.0498       94.11343 711.2128       
139.9658 438.9549       127.1485 57.35691 5.812422 44.83312 6.755125 12.52379 
8.911563 
1 1 1 7   20  32 o 60.67339 3.473140  813.1815       86.06236 646.4080       
127.4220 953.0794       116.7042 54.58772 5.559943 66.75905 4.163872 -12.17133 
6.946279 
1 1 1 7   20  33 o 64.72089 3.716236  909.4302       100.8922 959.9613       
145.8576 863.0706       139.7073 66.45376 5.227940 62.98803 5.283019 3.465725 
7.432472 
1 1 1 7   20  34 o 37.07379 5.910272  327.9107       93.96833 206.1423       
130.9791 457.0590       134.8897 29.24083 9.409369 44.90675 7.154650 -15.66592 
11.82054 
1 1 1 7   20  35 o 30.39108 6.691365  230.4522       94.78462 256.2023       
135.1215 205.5061       132.9952 31.90593 9.436651 28.87624 9.489314 3.029694 
13.38273 
1 1 1 7   20  36 o 48.62978 5.272789  570.1381       100.7530 401.1733       
142.4386 739.3290       142.5339 40.02266 8.719331 57.23691 5.931481 -17.21426 
10.54558 
1 1 1 7   20  37 o 22.23454 6.444440  87.25701       96.06468 83.96976       
137.4581 90.39534       134.3086 22.16339 9.139318 22.30570 9.088240 
-0.1423092     12.88888 
1 1 1 7   20  38 o 29.53125 5.931871  196.6900       98.50112 437.6041       
142.7889 -22.04666      136.0580 41.01957 8.570100 18.04294 8.203767 22.97663 
11.86374 
1 1 1 7   20  39 o 29.89235 6.517845  257.7815       102.2467 108.3229       
146.5542 399.5207       142.7193 22.19315 9.311720 37.59155 9.122560 -15.39840 
13.03569 
1 1 1 7   21  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   21  1  o 168.6938 2.537099  5923.130       151.3439 6117.631       
317.5908 5865.984       172.1472 170.3356 4.441029 167.0520 2.454536 3.283569 
5.074198 
1 1 1 7   21  2  o 121.7776 2.180429  3124.012       88.83778 3111.245       
199.3717 3127.176       99.23373 121.5491 3.906905 122.0061 1.937308 
-0.4570160     4.360857 
1 1 1 7   21  3  o 41.68321 3.346137  382.0302       52.50074 213.8776       
72.29469 569.6606       76.36707 31.33483 5.706588 52.03159 3.495909 -20.69675 
6.692274 
1 1 1 7   21  4  o 229.0749 3.237520  11048.97       311.2391 10686.74       
433.2501 11435.25       447.4083 225.1976 4.582432 232.9522 4.574654 -7.754623 
6.475040 
1 1 1 7   21  5  o 109.6886 2.361983  2546.936       107.3112 2422.519       
163.5776 2640.937       142.1834 107.3023 3.631079 112.0748 3.021773 -4.772522 
4.723966 
1 1 1 7   21  6  f 68.41344 2.466140  1033.697       66.11183 832.1207       
109.4286 1149.566       82.96473 62.86955 4.145829 73.95732 2.671981 -11.08777 
4.932280 
1 1 1 7   21  7  f 93.62025 2.521358  1806.289       91.70200 1941.839       
167.3883 1748.161       109.6149 96.04446 4.151201 91.19604 2.862957 4.848419 
5.042717 
1 1 1 7   21  8  o 75.02264 2.067938  1171.405       64.74185 1366.919       
96.70210 1012.581       87.15756 80.64223 2.856238 69.40304 2.991215 11.23920 
4.135875 
1 1 1 7   21  9  o 124.4415 2.147022  3252.244       111.5265 3225.573       
149.6133 3285.597       167.3109 123.8772 2.876734 125.0057 3.187980 -1.128418 
4.294044 
1 1 1 7   21  10 o 92.19017 1.985505  1791.274       76.11541 1749.353       
115.1861 1823.768       101.4117 91.22144 3.007628 93.15891 2.592894 -1.937477 
3.971010 
1 1 1 7   21  11 o 42.97258 3.629278  390.0976       65.15196 381.1086       
96.46210 397.6382       88.34911 42.50629 5.405359 43.43887 4.844453 
-0.9325752     7.258556 
1 1 1 7   21  12 o 329.1704 9.697536  23111.52       1340.174 23111.52       
1340.174 0.000000       0.000000 329.1704 9.697536 ?        ?        ? ? 
1 1 1 7   21  13 o 114.5997 3.174278  2772.955       152.3694 2897.799       
211.7095 2638.795       219.4655 117.2988 4.299006 111.9007 4.671480 5.398048 
6.348557 
1 1 1 7   21  14 o 176.1415 2.096884  6524.897       153.3039 6531.856       
202.2097 6515.488       235.0970 176.2740 2.732341 176.0090 3.181510 0.2650146 
4.193768 
1 1 1 7   21  15 o 92.34132 1.844283  1776.950       70.96925 1673.995       
93.79115 1914.857       108.5500 89.24409 2.503246 95.43857 2.709111 -6.194481 
3.688567 
1 1 1 7   21  16 o 216.6720 2.171403  9808.148       196.0908 9355.903       
259.6686 10408.28       299.1271 210.9187 2.932415 222.4252 3.203265 -11.50644 
4.342806 
1 1 1 7   21  17 o 74.84754 2.008924  1175.566       63.05491 1108.193       
86.93307 1250.360       91.59573 72.58910 2.852559 77.10598 2.829491 -4.516876 
4.017849 
1 1 1 7   21  18 o 51.95411 2.486082  565.6857       53.99389 496.4438       
73.86299 645.1469       79.12620 48.55090 3.623687 55.35732 3.404602 -6.806416 
4.972165 
1 1 1 7   21  19 o 89.80121 1.975539  1687.929       74.15293 1782.380       
111.2660 1612.458       99.46047 92.04424 2.879299 87.55817 2.705671 4.486076 
3.951078 
1 1 1 7   21  20 o 108.1425 2.028113  2462.861       91.95480 2407.436       
132.6572 2514.124       127.5789 106.9628 2.954059 109.3221 2.779661 -2.359360 
4.056227 
1 1 1 7   21  21 o 170.8568 2.514080  6145.959       180.2679 6251.344       
259.3668 6047.479       250.7273 172.2679 3.586170 169.4458 3.524455 2.822189 
5.028161 
1 1 1 7   21  22 o 49.98961 2.455340  525.9656       51.45297 520.7782       
70.68456 531.8121       75.04172 49.73159 3.385426 50.24762 3.557200 
-0.5160332     4.910680 
1 1 1 7   21  23 o 52.81240 2.916969  597.3553       62.53459 417.2799       
87.18100 788.1973       89.74944 44.45142 4.671510 61.17339 3.494542 -16.72197 
5.833938 
1 1 1 7   21  24 o 126.1963 1.898088  3342.403       100.4446 3180.437       
138.0940 3524.356       146.3668 122.9585 2.675084 129.4341 2.693487 -6.475594 
3.796175 
1 1 1 7   21  25 o 74.37331 2.268122  1155.693       70.53094 1292.358       
105.3422 1044.648       94.95598 78.32635 3.203433 70.42025 3.211780 7.906105 
4.536245 
1 1 1 7   21  26 o 86.53893 2.296794  1577.114       83.38650 1622.694       
120.7738 1535.593       115.2712 87.72890 3.279074 85.34895 3.216944 2.379951 
4.593589 
1 1 1 7   21  27 o 24.50010 5.085706  131.7018       57.34969 167.3468       
78.54762 91.00540       83.92897 27.39140 6.842934 21.60879 7.525416 5.782616 
10.17141 
1 1 1 7   21  28 f 93.05495 2.314811  1817.458       90.14728 1650.581       
122.2965 2016.016       133.4011 88.40250 3.295115 97.70741 3.252018 -9.304916 
4.629622 
1 1 1 7   21  29 o 51.94118 3.046478  573.1605       66.40043 598.3245       
94.59685 548.7202       93.22692 53.07391 4.245380 50.80845 4.370453 2.265465 
6.092957 
1 1 1 7   21  30 o 81.16072 3.260712  1425.153       109.1356 1279.191       
165.3526 1537.816       145.2719 77.28027 5.096400 85.04116 4.068868 -7.760887 
6.521425 
1 1 1 7   21  31 o 126.1533 2.918385  3392.531       153.6357 3416.731       
230.5628 3373.204       206.0458 126.4497 4.343027 125.8569 3.899488 0.5927811 
5.836770 
1 1 1 7   21  32 o 86.81519 3.073733  1620.471       111.5403 1570.341       
164.0582 1663.561       152.1030 85.46503 4.572257 88.16535 4.109233 -2.700317 
6.147465 
1 1 1 7   21  33 f 44.70577 4.757155  458.8970       85.05450 373.4229       
124.4558 533.8025       116.5077 40.04860 7.675780 49.36295 5.621789 -9.314342 
9.514311 
1 1 1 7   21  34 o 105.3502 3.470865  2415.642       151.8924 2460.759       
233.0162 2382.306       200.2947 105.9259 5.239682 104.7746 4.553388 1.151367 
6.941730 
1 1 1 7   21  35 o 64.15056 3.880542  908.3210       103.6664 761.9986       
141.5280 1077.707       152.2740 58.42266 5.770083 69.87846 5.190430 -11.45581 
7.761084 
1 1 1 7   21  36 o 52.07415 4.330201  616.7833       94.53385 607.3339       
136.5908 625.4708       130.9684 51.56884 6.308923 52.57947 5.932962 -1.010632 
8.660401 
1 1 1 7   21  37 o 30.13243 6.294972  232.6123       88.40892 319.9650       
129.4299 156.2065       121.0486 35.09959 8.793371 25.16527 9.010178 9.934320 
12.58994 
1 1 1 7   21  38 o 30.52317 6.490163  254.8441       89.99294 280.4029       
130.1081 231.4004       124.6084 31.96127 9.198728 29.08507 9.158181 2.876196 
12.98033 
1 1 1 7   21  39 o 58.47688 4.675396  846.1246       112.4301 681.1184       
159.6499 1008.472       158.3583 51.77110 7.345177 65.18267 5.786683 -13.41158 
9.350793 
1 1 1 7   22  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   22  1  o 88.36334 2.346941  1608.621       73.38636 1709.704       
154.9037 1579.368       83.33140 90.04739 4.097431 86.67930 2.289889 3.368088 
4.693882 
1 1 1 7   22  2  o 91.63780 2.082327  1794.478       77.25328 1655.493       
124.5781 1881.320       98.47360 88.68016 3.346079 94.59544 2.479537 -5.915283 
4.164655 
1 1 1 7   22  3  o 78.44145 1.995470  1305.024       63.04887 1254.569       
104.1258 1334.231       79.22303 77.21217 3.212133 79.67075 2.368501 -2.458580 
3.990940 
1 1 1 7   22  4  o 60.69396 2.244627  744.1936       53.57612 862.5809       
97.03294 692.2731       64.25930 64.00764 3.610842 57.38029 2.667438 6.627346 
4.489254 
1 1 1 7   22  5  o 203.2893 3.193766  8628.560       262.7707 9030.123       
438.2522 8403.165       328.3365 206.8344 5.046873 199.7442 3.915308 7.090195 
6.387532 
1 1 1 7   22  6  o 167.3881 3.355852  6009.307       219.6105 5628.807       
382.6661 6196.171       268.1682 163.2193 5.584310 171.5570 3.723231 -8.337646 
6.711704 
1 1 1 7   22  7  o 100.5012 2.333874  2164.320       95.81065 1933.040       
149.4074 2325.857       124.8649 95.82701 3.713687 105.1754 2.827790 -9.348419 
4.667748 
1 1 1 7   22  8  o 98.06552 2.045410  2021.508       83.89870 2015.127       
113.7597 2029.119       124.2321 97.90279 2.767671 98.22826 3.012441 
-0.3254700     4.090819 
1 1 1 7   22  9  o 66.05150 2.225514  915.5081       61.49214 894.0433       
83.07664 941.5187       91.45139 65.20171 3.034877 66.90128 3.255944 -1.699577 
4.451028 
1 1 1 7   22  10 o 115.7806 2.334753  2814.625       111.6708 2850.401       
174.7385 2789.926       145.1882 116.3796 3.576290 115.1815 3.002405 1.198044 
4.669507 
1 1 1 7   22  11 f 57.56626 3.896867  683.5209       92.93507 805.5083       
146.6997 601.7445       120.1118 61.74652 5.658977 53.38601 5.358944 8.360512 
7.793735 
1 1 1 7   22  12 o 227.8000 4.474081  10979.52       426.2916 10937.75       
577.9302 11029.38       631.3386 227.4042 6.053380 228.1958 6.589853 
-0.7915955     8.948161 
1 1 1 7   22  13 o 27.38586 7.320629  164.7935       85.81651 0.000000       
0.000000 164.7935       85.81651 ?        ?        27.38586 7.320629 ? ? 
1 1 1 7   22  14 o 292.0478 9.232795  18616.08       1009.424 18655.27       
1187.884 18514.25       1914.833 295.0812 9.588566 289.0145 15.78092 6.066711 
18.46559 
1 1 1 7   22  15 o 109.1247 2.425543  2447.944       90.69942 2406.399       
101.7160 2609.176       200.3778 107.0032 2.264195 111.2463 4.290275 -4.243141 
4.851086 
1 1 1 7   22  16 f 61.74886 2.200180  802.2825       57.03536 798.0991       
80.18309 806.5671       81.14589 61.58643 3.101122 61.91129 3.121891 
-0.3248672     4.400359 
1 1 1 7   22  17 o 176.7016 1.749466  6564.542       129.3086 6561.198       
175.4943 6568.514       191.2612 176.6644 2.366110 176.7387 2.577604 
-0.7429504E-01 3.498931 
1 1 1 7   22  18 f 83.77811 2.002866  1476.928       70.38910 1553.521       
99.95406 1401.575       99.14134 85.93734 2.770382 81.61887 2.893245 4.318466 
4.005732 
1 1 1 7   22  19 o 227.6577 3.101641  10937.20       296.4441 10946.22       
420.7524 10928.30       417.7345 227.7471 4.400425 227.5684 4.372295 0.1787872 
6.203282 
1 1 1 7   22  20 o 195.2346 2.707353  7978.587       219.0934 7707.169       
285.7142 8365.989       341.3448 191.2844 3.557733 199.1848 4.081861 -7.900375 
5.414707 
1 1 1 7   22  21 o 151.7773 2.065834  4840.860       131.2996 4766.790       
178.7678 4927.619       193.4743 150.5292 2.828718 153.0255 3.011484 -2.496368 
4.131668 
1 1 1 7   22  22 o 150.9852 1.765849  4789.773       111.8136 4715.869       
154.0784 4871.994       162.5155 149.7606 2.450559 152.2098 2.543158 -2.449158 
3.531698 
1 1 1 7   22  23 o 58.90975 2.599169  730.6344       64.11516 806.2201       
92.29676 660.1446       89.13114 61.85883 3.553905 55.96067 3.793740 5.898151 
5.198337 
1 1 1 7   22  24 o 90.31950 2.215298  1717.900       83.97913 1773.086       
119.2976 1663.689       118.2383 91.76070 3.096678 88.87830 3.168718 2.882408 
4.430597 
1 1 1 7   22  25 o 56.47455 2.700890  680.6724       63.32943 755.3038       
86.84716 595.9233       92.54701 59.84555 3.456566 53.10355 4.151069 6.742008 
5.401779 
1 1 1 7   22  26 o 88.54991 2.279177  1650.386       84.64083 1574.637       
116.5216 1735.005       123.1540 86.40477 3.212105 90.69505 3.234344 -4.290276 
4.558354 
1 1 1 7   22  27 o 27.63234 4.401242  168.8850       54.18364 270.1010       
76.92540 69.22319       76.33253 35.61854 5.144163 19.64613 7.142920 15.97240 
8.802484 
1 1 1 7   22  28 o 104.5005 2.117341  2297.320       91.74953 2353.452       
142.0518 2257.143       120.1803 105.5502 3.205596 103.4509 2.767071 2.099335 
4.234681 
1 1 1 7   22  29 o 108.8077 3.124791  2457.871       131.2714 2679.509       
242.7371 2366.257       156.0611 111.9128 5.166277 105.7027 3.516654 6.210052 
6.249582 
1 1 1 7   22  30 o 25.89568 6.008256  145.2969       77.36640 98.10378       
114.7515 184.6263       104.7557 23.31476 8.715205 28.47661 8.272955 -5.161846 
12.01651 
1 1 1 7   22  31 o 22.66657 6.257079  81.29385       86.63183 56.75465       
128.1261 101.9609       117.5835 21.83206 8.882845 23.50108 8.814714 -1.669022 
12.51416 
1 1 1 7   22  32 o 47.59189 4.326895  485.9808       85.02523 561.5309       
136.0430 437.5544       108.9181 50.44938 6.423052 44.73441 5.799353 5.714966 
8.653790 
1 1 1 7   22  33 o 19.03622 5.831503  4.730020       86.70355 -29.96788      
130.2770 32.31894       116.1672 18.36445 8.213188 19.70799 8.280657 -1.343540 
11.66301 
1 1 1 7   22  34 o 40.59512 5.549205  390.2365       91.81973 366.9937       
137.7179 408.8363       123.1974 38.76789 8.679146 42.42235 6.917162 -3.654457 
11.09841 
1 1 1 7   22  35 o 63.31438 4.130411  896.4765       109.5626 980.2754       
159.0318 820.7703       151.1578 66.20536 5.721526 60.42339 5.958633 5.781971 
8.260821 
1 1 1 7   22  36 o 30.26008 6.643809  236.8163       95.85205 301.2643       
136.0073 173.2181       135.1077 34.00320 9.273396 26.51695 9.516561 7.486246 
13.28762 
1 1 1 7   22  37 o 91.34225 3.498007  1865.522       134.0796 1874.219       
187.0929 1856.340       192.2466 91.65600 4.862028 91.02850 5.030398 0.6274948 
6.996015 
1 1 1 7   22  38 o 47.35842 4.798046  539.4125       95.30103 521.4161       
131.2115 559.5065       138.6478 46.59314 6.707658 48.12371 6.862384 -1.530571 
9.596092 
1 1 1 7   22  39 o 38.52696 5.917191  407.1581       93.05486 372.2376       
129.4928 444.4472       133.8124 36.49789 8.584931 40.55603 8.145644 -4.058140 
11.83438 
1 1 1 7   23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   23  1  o 136.9831 2.418886  3889.529       121.3121 4078.677       
242.7620 3826.575       140.0526 139.0639 4.158027 134.9022 2.472824 4.161728 
4.837773 
1 1 1 7   23  2  o 91.46216 2.462560  1734.055       78.82301 1812.591       
168.3264 1711.997       89.20839 92.68501 4.325774 90.23931 2.354675 2.445694 
4.925121 
1 1 1 7   23  3  o 139.9132 2.548790  4088.074       139.0540 4220.246       
249.7097 4028.666       167.4130 141.4490 4.204909 138.3773 2.881677 3.071671 
5.097580 
1 1 1 7   23  4  o 42.85070 2.765379  357.7242       47.57491 495.9500       
83.64121 291.6160       57.84340 48.49751 4.107920 37.20390 3.703279 11.29361 
5.530758 
1 1 1 7   23  5  o 88.74629 2.179752  1662.387       74.44628 1644.729       
135.4701 1670.027       89.10737 88.36369 3.651662 89.12890 2.381311 
-0.7652054     4.359504 
1 1 1 7   23  6  o 58.98548 2.687834  753.2520       62.51294 671.1769       
105.6244 797.5001       77.55428 56.40381 4.460432 61.56715 3.000390 -5.163334 
5.375667 
1 1 1 7   23  7  o 190.7184 2.985847  7610.973       234.7193 7376.598       
302.2122 7967.287       372.6255 187.1169 3.846981 194.3198 4.567478 -7.202942 
5.971693 
1 1 1 7   23  8  o 69.31052 2.134620  1008.324       61.58170 993.2965       
81.61710 1028.186       93.83483 68.72166 2.828841 69.89938 3.197509 -1.177719 
4.269239 
1 1 1 7   23  9  o 124.0362 2.193948  3236.100       114.1230 3217.169       
157.5165 3257.016       165.5734 123.6608 3.033996 124.4117 3.169936 
-0.7508545     4.387895 
1 1 1 7   23  10 o 158.7933 3.629464  5281.150       238.9196 5605.254       
372.8766 5055.407       311.1938 162.8265 5.454578 154.7601 4.789530 8.066406 
7.258927 
1 1 1 7   23  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   23  12 o 81.73235 2.638961  1406.714       90.49236 1336.483       
126.8416 1479.514       129.1404 79.65073 3.793090 83.81397 3.670005 -4.163246 
5.277923 
1 1 1 7   23  13 o 64.61783 3.051561  872.9121       81.56284 681.9180       
110.1760 1104.507       121.3225 56.84351 4.616651 72.39214 3.991822 -15.54862 
6.103122 
1 1 1 7   23  14 o 63.97322 2.830230  861.3027       75.95482 904.3465       
109.9103 821.9558       105.0848 65.50109 3.996785 62.44536 4.008307 3.055733 
5.660460 
1 1 1 7   23  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   23  16 o 64.28976 3.202155  875.0338       86.04432 841.1819       
126.3479 904.3120       117.5031 63.10733 4.768800 65.47218 4.274778 -2.364841 
6.404309 
1 1 1 7   23  17 o 255.8081 3.857847  13186.91       250.9386 13023.13       
264.1272 14705.13       804.1740 248.8579 2.528033 262.7582 7.289787 -13.90027 
7.715694 
1 1 1 7   23  18 o 25.92528 4.459468  148.3465       48.16107 161.8538       
68.16747 134.8847       68.05276 27.09732 6.133960 24.75323 6.474718 2.344088 
8.918937 
1 1 1 7   23  19 o 62.96825 2.319742  834.0618       61.27548 882.9691       
87.91509 787.8580       85.45068 64.76453 3.233310 61.17197 3.327240 3.592560 
4.639485 
1 1 1 7   23  20 o 16.91989 4.716814  31.60118       50.15875 8.053499       
71.51108 54.40531       70.37299 15.51891 6.507646 18.32086 6.829633 -2.801954 
9.433628 
1 1 1 7   23  21 o 119.9011 2.000660  3025.002       100.6418 2882.333       
141.7203 3170.150       142.9456 117.0434 2.884071 122.7588 2.773572 -5.715317 
4.001321 
1 1 1 7   23  22 o 84.48068 2.137542  1501.594       75.74940 1417.101       
105.9976 1589.783       108.2909 82.04877 3.077123 86.91259 2.967771 -4.863815 
4.275085 
1 1 1 7   23  23 o 133.6293 2.222038  3755.524       124.5097 3857.865       
181.4879 3664.529       171.1344 135.3397 3.194063 131.9190 3.089947 3.420776 
4.444076 
1 1 1 7   23  24 o 94.70978 2.243870  1891.509       89.10552 2007.275       
126.2373 1776.558       125.7924 97.61032 3.080441 91.80923 3.263541 5.801094 
4.487741 
1 1 1 7   23  25 o 57.16428 2.562983  692.3959       61.24158 722.8247       
83.98555 657.8444       89.49400 58.52859 3.417886 55.79996 3.820156 2.728626 
5.125967 
1 1 1 7   23  26 o 61.74325 2.728983  806.4326       70.60001 806.8596       
96.86212 805.9487       103.1183 61.77565 3.734718 61.71085 3.980111 
0.6480026E-01  5.457967 
1 1 1 7   23  27 o 40.65984 3.066383  351.2167       52.09756 308.6726       
72.86327 395.7161       74.51878 38.11529 4.553344 43.20439 4.108270 -5.089096 
6.132766 
1 1 1 7   23  28 o 70.62667 2.480826  1054.750       73.48296 988.6949       
102.3327 1125.069       105.5848 68.33621 3.566849 72.91713 3.448997 -4.580917 
4.961652 
1 1 1 7   23  29 o 46.63917 4.815075  489.8477       89.47807 394.2703       
131.8579 571.4263       121.8196 41.74733 7.812425 51.53102 5.630791 -9.783691 
9.630150 
1 1 1 7   23  30 o 48.69832 4.108388  510.8832       83.15249 533.5559       
128.0200 494.3376       109.3625 49.53536 6.155786 47.86128 5.442585 1.674076 
8.216777 
1 1 1 7   23  31 o 32.12153 5.994731  249.6106       87.61001 130.5034       
131.5014 344.6713       117.4795 25.48438 9.364540 38.75869 7.486827 -13.27431 
11.98946 
1 1 1 7   23  32 o 18.73866 5.572351  -23.59714      85.48601 -181.9133      
129.0921 100.0495       114.0849 14.49599 7.003603 22.98132 8.669137 -8.485332 
11.14470 
1 1 1 7   23  33 o 67.64526 3.813543  1017.633       106.6678 885.4509       
157.5150 1129.593       144.9671 63.22197 5.934376 72.06854 4.791204 -8.846577 
7.627087 
1 1 1 7   23  34 o 47.05790 4.882972  501.7970       95.94445 579.3378       
141.5044 435.8164       130.5309 50.52625 6.670737 43.58955 7.132665 6.936695 
9.765944 
1 1 1 7   23  35 o 39.00445 5.656878  371.6251       88.76304 348.4391       
142.2749 386.4012       113.5779 36.93561 9.198856 41.07329 6.586509 -4.137680 
11.31376 
1 1 1 7   23  36 o 34.87531 5.948067  311.3073       87.31760 241.6637       
124.8218 378.0470       122.1917 30.46800 9.082316 39.28262 7.683068 -8.814619 
11.89613 
1 1 1 7   23  37 o 43.73317 5.119695  464.8480       91.54971 497.9559       
128.2442 430.4425       130.7334 45.95436 6.647099 41.51197 7.788529 4.442383 
10.23939 
1 1 1 7   23  38 o 18.87052 5.794412  25.66190       87.97873 90.68363       
124.6397 -38.90495      124.2029 21.17447 8.712270 16.56657 7.641805 4.607903 
11.58882 
1 1 1 7   23  39 o 15.22593 5.096332  -93.08468      89.05930 -4.925595      
123.7761 -187.7177      128.2403 17.11812 7.794338 13.33374 6.568005 3.784379 
10.19266 
1 1 1 7   24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   24  1  o 19.63193 4.069110  82.96175       37.56514 45.24689       
55.96195 113.8934       50.68016 16.51359 6.103363 22.75027 5.383270 -6.236685 
8.138220 
1 1 1 7   24  2  o 144.0400 2.432891  4426.644       140.6306 4167.155       
232.7922 4575.761       176.4708 140.6004 3.943691 147.4796 2.850111 -6.879227 
4.865782 
1 1 1 7   24  3  o 33.64470 3.441251  221.7238       45.74969 291.9337       
83.55505 191.6626       54.67351 37.14868 5.357354 30.14073 4.320601 7.007948 
6.882503 
1 1 1 7   24  4  o 76.37894 2.286496  1248.688       67.25934 1175.594       
120.6360 1281.659       81.02065 74.68478 3.847389 78.07309 2.471812 -3.388306 
4.572991 
1 1 1 7   24  5  o 154.5401 3.202614  5050.297       192.7225 5018.294       
343.6350 5064.982       232.7770 154.0191 5.314272 155.0611 3.575677 -1.041946 
6.405228 
1 1 1 7   24  6  o 53.60509 2.887347  641.4337       56.94960 530.2601       
106.0200 686.5212       67.51735 50.08477 5.042005 57.12540 2.815186 -7.040638 
5.774694 
1 1 1 7   24  7  o 102.5307 1.942667  2206.228       83.44026 2139.090       
113.6303 2284.794       122.9213 100.8466 2.683823 104.2148 2.809434 -3.368156 
3.885334 
1 1 1 7   24  8  o 94.97299 2.139298  1890.790       84.88142 1828.225       
113.7426 1969.424       127.5154 93.21593 2.906392 96.73005 3.139947 -3.514114 
4.278596 
1 1 1 7   24  9  o 163.8681 2.625884  5655.875       180.5838 5730.441       
259.6836 5586.050       251.2913 164.9074 3.750813 162.8288 3.675930 2.078568 
5.251767 
1 1 1 7   24  10 o 93.92723 2.738039  1861.262       107.7950 1894.329       
149.0418 1824.992       156.0927 94.81521 3.744132 93.03925 3.996111 1.775963 
5.476078 
1 1 1 7   24  11 o 29.06174 8.896170  181.9267       118.6980 181.9267       
118.6980 0.000000       0.000000 29.06174 8.896170 ?        ?        ? ? 
1 1 1 7   24  12 o 117.1159 2.981369  2890.030       146.5094 2997.933       
211.4623 2790.417       203.1773 119.2148 4.224972 115.0171 4.207594 4.197708 
5.962738 
1 1 1 7   24  13 o 133.4121 2.954733  3724.628       163.1369 3587.579       
211.7658 3924.691       255.8593 130.4629 3.866250 136.3612 4.469216 -5.898315 
5.909465 
1 1 1 7   24  14 o 29.98233 5.283419  200.1670       67.19234 151.2246       
96.07070 247.0337       94.01138 26.48569 7.982745 33.47897 6.923427 -6.993277 
10.56684 
1 1 1 7   24  15 o 78.94010 2.810630  1306.530       92.87548 1217.938       
125.6398 1413.266       137.9072 76.00919 3.937152 81.87101 4.012155 -5.861816 
5.621259 
1 1 1 7   24  16 f 166.1698 3.728244  5831.757       259.2894 5942.336       
383.6034 5738.736       351.8341 167.5749 5.452487 164.7647 5.086216 2.810150 
7.456488 
1 1 1 7   24  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   24  18 o 213.9505 4.464988  9703.966       400.6703 9892.991       
581.7828 9533.422       552.6089 215.8928 6.418651 212.0082 6.208494 3.884628 
8.929976 
1 1 1 7   24  19 o 92.09918 1.936480  1784.456       74.86433 1748.277       
105.9378 1820.547       105.8106 91.16454 2.767873 93.03382 2.709002 -1.869278 
3.872959 
1 1 1 7   24  20 o 102.1454 1.949614  2194.550       83.52059 2186.791       
115.4141 2203.081       121.0170 101.9606 2.696170 102.3301 2.816851 
-0.3694458     3.899228 
1 1 1 7   24  21 o 103.2274 2.023161  2240.539       87.61350 2368.154       
125.7181 2120.032       122.1666 106.0864 2.822665 100.3685 2.899188 5.717896 
4.046322 
1 1 1 7   24  22 o 69.42290 2.395536  1013.075       69.62206 910.4476       
96.09428 1126.471       101.0105 65.72367 3.482545 73.12214 3.290325 -7.398468 
4.791071 
1 1 1 7   24  23 o 149.6645 2.413303  4707.044       151.2793 4949.485       
223.4979 4502.049       205.5141 153.1968 3.474920 146.1322 3.349785 7.064651 
4.826607 
1 1 1 7   24  24 o 62.78207 2.587300  829.0004       67.92583 731.0323       
93.17815 940.1088       99.23053 58.82763 3.772713 66.73650 3.541628 -7.908871 
5.174601 
1 1 1 7   24  25 o 114.4594 1.846813  2757.848       88.69993 2812.469       
127.9693 2707.340       123.0562 115.5455 2.637994 113.3733 2.585317 2.172211 
3.693627 
1 1 1 7   24  26 o 116.1228 2.174560  2844.130       105.9675 2728.244       
147.9790 2966.103       151.8159 113.6914 3.100230 118.5542 3.050150 -4.862862 
4.349119 
1 1 1 7   24  27 o 21.50023 5.246018  92.21317       57.72849 82.25380       
82.05627 101.9732       81.23081 20.81649 7.421850 22.18396 7.416129 -1.367468 
10.49204 
1 1 1 7   24  28 o 72.00858 2.450881  1107.375       72.01310 1057.948       
114.9588 1139.298       92.38592 70.59389 3.878788 73.42327 2.997044 -2.829384 
4.901762 
1 1 1 7   24  29 o 93.35976 3.274382  1865.832       128.2193 1778.886       
181.7243 1952.026       180.9372 91.14725 4.748872 95.57228 4.509382 -4.425034 
6.548764 
1 1 1 7   24  30 o 29.00714 5.599243  197.4000       70.85693 157.6260       
107.3098 228.1471       94.35013 26.49056 8.516103 31.52373 7.272005 -5.033167 
11.19849 
1 1 1 7   24  31 o 34.68112 6.026963  280.8191       87.46455 346.4742       
130.7650 227.6661       117.6578 38.36533 8.351065 30.99692 8.692345 7.368404 
12.05393 
1 1 1 7   24  32 o 68.77023 3.562493  1040.381       100.9429 961.6575       
154.7358 1098.703       133.1855 66.21114 5.566482 71.32934 4.447438 -5.118202 
7.124986 
1 1 1 7   24  33 o 29.63012 6.507545  215.4003       89.41151 203.4937       
133.2637 225.1483       120.5796 28.93859 9.498888 30.32165 8.897397 -1.383059 
13.01509 
1 1 1 7   24  34 o 40.68930 5.674556  391.1854       94.69077 565.3560       
142.2512 252.6047       126.8878 49.70522 6.816711 31.67338 9.073852 18.03184 
11.34911 
1 1 1 7   24  35 o 54.18283 4.228722  675.7949       93.17371 611.3478       
146.3904 719.6804       120.8012 51.40433 6.783189 56.96133 5.051404 -5.557003 
8.457443 
1 1 1 7   24  36 o 75.01669 3.302925  1230.244       102.8044 1354.939       
160.6512 1143.770       133.7835 77.98878 4.906512 72.04461 4.423053 5.944176 
6.605850 
1 1 1 7   24  37 o 18.81668 5.521232  34.83762       77.16853 -51.43990      
113.2210 109.6889       105.4576 15.70817 7.264988 21.92518 8.316005 -6.217013 
11.04246 
1 1 1 7   24  38 o 14.97085 5.063673  -106.7214      89.82274 -123.4339      
123.3929 -87.88304      131.0057 14.34112 6.909893 15.60059 7.403819 -1.259466 
10.12735 
1 1 1 7   24  39 o 36.78241 7.797508  517.6836       157.3286 238.3691       
252.0824 695.9022       201.3595 26.24734 11.60529 47.31748 10.41738 -21.07013 
15.59502 
1 1 1 7   25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   25  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   25  2  o 222.1590 2.929298  10450.40       271.0197 10084.22       
405.9359 10744.90       364.0375 218.5575 4.423976 225.7606 3.840778 -7.203079 
5.858595 
1 1 1 7   25  3  o 98.65813 2.350413  2018.508       87.87904 2121.661       
166.5882 1978.734       103.4430 100.3149 3.955484 97.00135 2.540061 3.313568 
4.700826 
1 1 1 7   25  4  o 184.2267 3.566952  7212.206       235.2299 7100.310       
478.8492 7247.798       270.0613 182.9440 6.234499 185.5093 3.467510 -2.565308 
7.133905 
1 1 1 7   25  5  o 157.1620 2.898167  5288.462       181.1320 4951.304       
305.1940 5471.802       225.0547 153.1139 4.747690 161.2100 3.325195 -8.096039 
5.796333 
1 1 1 7   25  6  o 25.73721 4.799459  127.1183       50.54769 210.2215       
91.28724 90.37141       60.70321 30.82734 7.180343 20.64708 6.370394 10.18026 
9.598919 
1 1 1 7   25  7  o 42.92120 2.614307  386.9311       46.92075 438.5419       
68.29918 340.8027       64.56969 45.62877 3.565314 40.21362 3.824517 5.415154 
5.228613 
1 1 1 7   25  8  o 224.7448 3.040789  10602.64       277.4021 10863.22       
457.1423 10450.76       349.0032 226.7820 4.801356 222.7075 3.732636 4.074493 
6.081578 
1 1 1 7   25  9  o 179.2924 2.760920  6768.630       207.6078 6347.118       
288.9627 7218.341       298.4718 173.5173 3.966616 185.0675 3.841441 -11.55025 
5.521839 
1 1 1 7   25  10 o 39.39667 4.496079  298.6933       68.89648 414.4237       
130.8025 254.2576       81.05105 44.13580 7.059050 34.65755 5.570342 9.478249 
8.992158 
1 1 1 7   25  11 o 63.91700 2.888052  861.2191       77.44206 867.5649       
111.8782 855.3816       107.3042 64.13799 4.154810 63.69601 4.012596 0.4419861 
5.776103 
1 1 1 7   25  12 o 67.11603 2.871078  948.1645       80.82908 991.8572       
117.2913 908.6484       111.5443 68.58502 4.073403 65.64703 4.047189 2.937988 
5.742156 
1 1 1 7   25  13 o 127.1747 2.983187  3411.606       159.2657 3433.217       
224.2119 3389.595       226.2737 127.5860 4.185783 126.7634 4.251687 0.8226089 
5.966374 
1 1 1 7   25  14 o 124.8021 3.094995  3292.159       161.6429 3207.694       
236.5591 3366.138       221.3894 123.2689 4.570958 126.3354 4.174005 -3.066483 
6.189990 
1 1 1 7   25  15 o 143.1113 3.569995  4329.813       214.4117 4473.980       
303.4545 4186.082       302.9940 145.5064 4.967440 140.7162 5.128743 4.790176 
7.139990 
1 1 1 7   25  16 o 158.5769 3.508676  5316.381       232.9570 5280.872       
341.6786 5347.226       318.4487 158.0413 5.149539 159.1124 4.767124 -1.071136 
7.017352 
1 1 1 7   25  17 o 30.39943 5.541963  204.7683       71.22896 200.2993       
101.7183 209.0682       99.77576 30.08742 7.937101 30.71144 7.736656 
-0.6240234     11.08393 
1 1 1 7   25  18 o 87.81139 2.910182  1623.555       107.1807 1725.096       
155.0371 1530.600       148.3376 90.43995 4.083159 85.18282 4.147824 5.257126 
5.820364 
1 1 1 7   25  19 o 70.17581 4.767423  1040.734       140.4592 1040.734       
140.4592 0.000000       0.000000 70.17581 4.767423 ?        ?        ? ? 
1 1 1 7   25  20 o 172.7950 3.805266  6353.798       269.8908 6186.230       
426.1823 6465.994       348.7292 170.7101 5.946445 174.8800 4.749735 -4.169891 
7.610531 
1 1 1 7   25  21 o 159.5656 1.856099  5360.217       124.2646 5278.315       
178.0905 5437.928       173.4738 158.3692 2.678497 160.7620 2.570227 -2.392838 
3.712198 
1 1 1 7   25  22 o 19.79880 4.896778  62.53340       54.44400 123.3207       
77.68230 3.849500       76.32647 23.86688 7.175180 15.73072 6.665623 8.136162 
9.793556 
1 1 1 7   25  23 o 155.4828 2.440215  5094.478       158.8418 5004.262       
215.8362 5201.069       234.6087 154.0104 3.338070 156.9553 3.560321 -2.944916 
4.880430 
1 1 1 7   25  24 o 44.57145 3.340787  426.7622       60.88380 546.9550       
87.22865 312.5811       85.01926 50.82769 4.087708 38.31521 5.285270 12.51247 
6.681574 
1 1 1 7   25  25 o 67.25484 2.446162  955.6959       69.04065 995.2435       
98.50041 917.5032       96.79827 68.62746 3.418702 65.88222 3.499617 2.745239 
4.892324 
1 1 1 7   25  26 o 50.94666 2.722742  552.0297       58.00670 503.9872       
82.93063 598.0490       81.16557 48.74268 4.052534 53.15065 3.637343 -4.407974 
5.445484 
1 1 1 7   25  27 o 83.48306 2.262281  1473.586       79.14661 1356.637       
110.6490 1596.114       113.2569 80.07402 3.291373 86.89211 3.104599 -6.818085 
4.524563 
1 1 1 7   25  28 o 57.90673 3.487515  710.5780       80.55122 743.9597       
138.6087 693.5551       98.98126 58.74693 5.619870 57.06653 4.131356 1.680401 
6.975030 
1 1 1 7   25  29 o 103.8290 3.241781  2317.044       139.4491 2267.795       
213.9534 2353.417       183.8693 102.6836 4.962942 104.9744 4.172026 -2.290741 
6.483563 
1 1 1 7   25  30 o 57.65960 3.917877  724.7093       94.21377 707.3687       
140.4848 738.8827       127.0089 56.90445 5.880362 58.41475 5.178842 -1.510300 
7.835755 
1 1 1 7   25  31 o 27.46319 5.798455  163.9036       81.45060 42.83840       
115.1176 285.2679       115.2597 20.17874 8.346038 34.74764 8.051831 -14.56890 
11.59691 
1 1 1 7   25  32 o 51.36249 4.365140  583.3391       93.46858 619.0340       
142.2988 556.2517       123.9598 52.60501 6.443104 50.11996 5.891027 2.485050 
8.730280 
1 1 1 7   25  33 o 17.26234 5.357878  -56.22795      80.38238 73.21178       
119.9587 -161.7114      108.2904 21.49772 8.654828 13.02697 6.318336 8.470749 
10.71576 
1 1 1 7   25  34 o 57.66185 4.244378  744.4183       101.7597 790.6966       
156.7470 710.7056       133.7852 58.97404 6.330812 56.34965 5.655068 2.624393 
8.488756 
1 1 1 7   25  35 o 41.30025 5.655568  436.7253       93.74857 297.1133       
140.0228 550.1537       126.2113 33.53343 9.508148 49.06708 6.126736 -15.53365 
11.31114 
1 1 1 7   25  36 o 28.47408 6.339099  212.8373       83.96838 215.0055       
129.7984 211.2768       110.1134 28.41431 9.374575 28.53386 8.535459 
-0.1195507     12.67820 
1 1 1 7   25  37 o 19.76776 5.851787  45.98729       83.57675 125.1542       
125.5059 -17.09110      112.0295 22.96962 8.982333 16.56590 7.502756 6.403721 
11.70357 
1 1 1 7   25  38 o 32.00050 6.328158  295.1468       88.40783 317.4769       
127.4507 274.4378       122.7375 33.23178 8.938698 30.76923 8.960023 2.462549 
12.65632 
1 1 1 7   26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   26  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   26  2  o 54.99018 2.422904  640.5599       52.64832 628.3414       
91.00513 646.7065       64.54626 54.55363 3.973409 55.42673 2.773785 
-0.8730965     4.845809 
1 1 1 7   26  3  o 92.86454 2.293148  1777.676       84.46859 1934.372       
148.4986 1702.725       102.7019 95.77668 3.693036 89.95240 2.719486 5.824280 
4.586297 
1 1 1 7   26  4  o 36.08932 3.882373  257.3340       53.54944 321.6753       
103.6124 233.8844       62.55109 38.90300 6.343803 33.27563 4.477438 5.627369 
7.764747 
1 1 1 7   26  5  o 131.7713 2.874612  3673.875       143.2637 3637.237       
268.4427 3688.467       169.4058 131.1696 4.874606 132.3731 3.048244 -1.203461 
5.749224 
1 1 1 7   26  6  o 128.6743 2.978145  3451.000       135.6721 3572.731       
284.2536 3415.087       154.3931 129.9525 5.210055 127.3960 2.886643 2.556473 
5.956290 
1 1 1 7   26  7  o 15.14438 4.384721  13.74932       44.88198 -5.588379      
61.91185 35.16792       65.15788 13.73720 5.917315 16.55157 6.472133 -2.814366 
8.769443 
1 1 1 7   26  8  o 54.22264 2.416932  619.6752       54.62163 615.0305       
82.18530 623.3501       73.10318 54.02965 3.623123 54.41563 3.199880 
-0.3859863     4.833865 
1 1 1 7   26  9  o 112.1783 2.479343  2642.843       109.0393 2672.178       
192.8707 2629.063       132.1926 112.5672 4.081084 111.7894 2.816614 0.7777405 
4.958685 
1 1 1 7   26  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   26  11 o 200.0428 3.814182  8456.506       318.6607 8573.553       
477.0360 8362.192       428.2152 201.2150 5.646923 198.8707 5.128761 2.344330 
7.628363 
1 1 1 7   26  12 o 141.4056 3.305300  4216.459       193.5499 4260.465       
300.1527 4185.137       253.2317 141.9683 5.035841 140.8430 4.282563 1.125259 
6.610600 
1 1 1 7   26  13 o 151.6530 2.992393  4855.868       190.2841 4757.481       
274.3997 4947.007       264.1003 150.1502 4.352900 153.1557 4.107303 -3.005493 
5.984787 
1 1 1 7   26  14 o 22.95935 5.844006  95.01659       72.09112 104.9263       
102.8596 85.44904       101.0685 23.59716 8.319960 22.32154 8.209014 1.275616 
11.68801 
1 1 1 7   26  15 o 173.6352 3.619958  6393.577       261.3579 6243.896       
395.4807 6509.635       348.2413 171.7307 5.485276 175.5397 4.725264 -3.809036 
7.239915 
1 1 1 7   26  16 o 92.97388 2.820167  1823.734       110.0123 1846.550       
153.4673 1799.616       157.7842 93.58108 3.906150 92.36667 4.068828 1.214409 
5.640334 
1 1 1 7   26  17 o 31.79902 5.749974  225.0696       77.22205 209.2511       
110.6081 240.1120       107.8607 30.73699 8.353966 32.86105 7.903169 -2.124058 
11.49995 
1 1 1 7   26  18 o 114.4155 3.208139  2767.091       154.0494 2801.296       
215.8266 2731.566       219.9493 115.1485 4.464447 113.6825 4.608399 1.466049 
6.416279 
1 1 1 7   26  19 o 86.75388 3.067491  1580.341       111.3501 1426.159       
151.1189 1763.486       164.7020 82.14782 4.381710 91.35995 4.294021 -9.212128 
6.134982 
1 1 1 7   26  20 o 53.85326 5.635958  616.2832       127.4262 0.000000       
0.000000 616.2832       127.4262 ?        ?        53.85326 5.635958 ? ? 
1 1 1 7   26  21 o 111.5249 4.921974  2638.033       230.4570 2638.033       
230.4570 0.000000       0.000000 111.5249 4.921974 ?        ?        ? ? 
1 1 1 7   26  22 o 195.9566 4.096597  8099.593       331.5653 8681.896       
525.0119 7713.262       427.6362 201.5227 6.205349 190.3904 5.349959 11.13229 
8.193194 
1 1 1 7   26  23 o 17.50296 5.028026  28.61435       57.86308 8.750062       
89.13932 43.07998       76.06790 17.12007 7.226298 17.88586 6.993196 
-0.7657967     10.05605 
1 1 1 7   26  24 o 119.3960 2.209743  3002.810       110.6332 3149.010       
161.3625 2873.122       151.9768 122.1275 3.147096 116.6644 3.102845 5.463127 
4.419487 
1 1 1 7   26  25 f 60.95109 2.622492  785.4208       66.93978 866.6487       
96.72853 710.7661       92.73218 63.98553 3.600758 57.91666 3.813713 6.068871 
5.244985 
1 1 1 7   26  26 o 53.06487 2.888969  598.6367       63.91193 509.5865       
88.87321 694.0154       91.97691 48.93668 4.325711 57.19307 3.830509 -8.256393 
5.777938 
1 1 1 7   26  27 o 41.51543 3.496436  369.2552       60.92783 359.7223       
86.04001 378.8437       86.29047 40.96814 5.002364 42.06273 4.886372 -1.094585 
6.992873 
1 1 1 7   26  28 o 53.51945 3.930650  614.6072       87.90412 669.1026       
132.4008 571.6510       117.5504 55.59208 5.672817 51.44683 5.442349 4.145252 
7.861299 
1 1 1 7   26  29 o 23.04383 6.069224  78.30714       83.06667 173.8037       
125.0768 2.950091       111.1079 27.73931 9.202489 18.34834 7.915563 9.390966 
12.13845 
1 1 1 7   26  30 o 59.12208 4.027434  775.2521       98.41264 673.1149       
145.4860 861.4111       133.6226 55.22541 6.274849 63.01875 5.050461 -7.793346 
8.054868 
1 1 1 7   26  31 o 57.27593 4.148460  750.9803       95.53085 555.5604       
142.2013 911.7211       128.9681 49.73636 6.810056 64.81550 4.739411 -15.07914 
8.296920 
1 1 1 7   26  32 o 84.27071 3.129544  1541.719       110.6409 1606.245       
156.3569 1477.005       156.5832 86.09921 4.325527 82.44221 4.523937 3.657005 
6.259088 
1 1 1 7   26  33 o 24.12698 6.005468  111.2825       80.78884 219.0837       
122.6517 28.66734       107.3722 29.58577 9.040370 18.66818 7.907865 10.91759 
12.01094 
1 1 1 7   26  34 f 57.40171 4.159276  733.7709       99.44471 839.9850       
152.7002 655.5485       131.0431 60.89113 5.973194 53.91230 5.789583 6.978836 
8.318553 
1 1 1 7   26  35 f 52.72126 4.613664  653.8514       100.0431 589.8818       
151.8284 702.9377       132.9986 49.80370 7.261269 55.63882 5.693641 -5.835121 
9.227327 
1 1 1 7   26  36 o 39.83235 5.824094  427.3714       95.19317 272.2401       
143.4882 549.3235       127.2218 31.18087 9.829383 48.48383 6.250081 -17.30295 
11.64819 
1 1 1 7   26  37 o 22.10038 6.380601  109.8100       93.23158 110.6356       
140.6508 109.1629       124.5171 22.32335 9.228714 21.87740 8.813577 0.4459438 
12.76120 
1 1 1 7   26  38 o 18.30528 5.848068  12.85758       96.18929 44.40981       
141.5417 -14.21924      131.1197 19.39988 8.621718 17.21067 7.903516 2.189211 
11.69614 
1 1 1 7   27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   27  2  o 73.40807 2.226613  1128.236       63.96050 1159.551       
113.9696 1113.838       77.27726 74.08478 3.664215 72.73135 2.530761 1.353424 
4.453226 
1 1 1 7   27  3  o 53.32278 2.716346  622.3790       55.15839 547.6037       
98.89256 656.1462       66.45575 50.83585 4.633557 55.80972 2.836245 -4.973862 
5.432692 
1 1 1 7   27  4  o 168.2855 3.158060  6038.485       205.7293 5873.902       
368.5923 6112.957       247.9441 166.3389 5.278050 170.2321 3.469232 -3.893219 
6.316121 
1 1 1 7   27  5  o 41.85663 3.853407  380.0419       59.71534 354.3441       
113.8238 389.8009       70.14353 40.74438 6.654057 42.96887 3.888255 -2.224491 
7.706815 
1 1 1 7   27  6  o 44.33393 3.505067  392.8915       61.73748 488.8676       
110.6720 349.5321       74.38723 48.00010 5.491825 40.66776 4.356815 7.332333 
7.010134 
1 1 1 7   27  7  o 32.55401 4.453834  226.2923       57.27260 242.2948       
96.76888 217.6647       71.05354 33.05840 7.173684 32.04963 5.280606 1.008774 
8.907667 
1 1 1 7   27  8  o 45.59762 2.925457  436.6341       55.82016 391.4107       
76.17526 489.0802       82.03306 43.05606 4.214060 48.13918 4.058928 -5.083115 
5.850914 
1 1 1 7   27  9  o 96.17138 2.485691  1949.890       100.0697 1939.246       
147.0316 1959.074       136.5849 95.91193 3.651397 96.43082 3.373712 
-0.5188904     4.971381 
1 1 1 7   27  10 o 142.3890 5.375579  4294.541       321.3518 4294.541       
321.3518 0.000000       0.000000 142.3890 5.375579 ?        ?        ? ? 
1 1 1 7   27  11 o 75.25172 2.701715  1193.502       85.25757 1115.902       
119.1177 1275.011       122.0818 72.73785 3.900649 77.76560 3.739249 -5.027748 
5.403429 
1 1 1 7   27  12 o 27.17981 5.308974  154.8922       66.78484 244.3530       
97.43383 75.61460       91.72089 33.21912 7.189414 21.14049 7.813652 12.07863 
10.61795 
1 1 1 7   27  13 o 23.45530 5.054729  87.86682       68.72218 -62.26263      
100.5065 219.6842       94.17759 15.43465 7.026672 31.47596 7.268221 -16.04131 
10.10946 
1 1 1 7   27  14 o 73.98541 2.890458  1140.693       89.21112 1315.936       
135.0777 1005.119       118.8093 78.96287 4.074572 69.00796 4.100836 9.954910 
5.780916 
1 1 1 7   27  15 o 44.33047 4.189589  412.1579       77.39027 489.4268       
116.4779 351.0874       103.5516 48.01629 5.777982 40.64465 6.068404 7.371647 
8.379177 
1 1 1 7   27  16 o 62.20477 3.221800  808.4658       83.59485 700.9520       
111.8441 944.5490       125.8298 57.56781 4.627586 66.84174 4.483909 -9.273926 
6.443601 
1 1 1 7   27  17 o 112.2339 2.933888  2638.880       137.5559 2443.310       
183.6652 2888.723       207.5917 107.5520 4.067518 116.9158 4.229196 -9.363838 
5.867776 
1 1 1 7   27  18 o 84.26112 3.060419  1501.584       108.1762 1583.267       
154.0336 1422.090       151.9561 86.53490 4.239798 81.98735 4.414609 4.547546 
6.120838 
1 1 1 7   27  19 o 74.50795 3.100926  1173.492       96.93075 1233.653       
139.8616 1117.889       134.4595 76.34611 4.363477 72.66979 4.407158 3.676315 
6.201852 
1 1 1 7   27  20 o 67.22131 3.373340  960.2578       95.02998 925.5936       
136.9352 992.4618       131.9868 66.02338 4.940129 68.41926 4.594870 -2.395882 
6.746681 
1 1 1 7   27  21 o 79.97272 3.117728  1356.506       104.1455 1540.533       
149.4986 1182.993       145.1649 85.28554 4.175252 74.65991 4.631217 10.62563 
6.235456 
1 1 1 7   27  22 o 35.65534 7.772380  285.9704       113.1191 0.000000       
0.000000 285.9704       113.1191 ?        ?        35.65534 7.772380 ? ? 
1 1 1 7   27  23 o 62.70986 4.120883  847.9469       106.3522 872.2346       
138.6439 813.2229       165.7765 63.94411 5.164415 61.47562 6.423047 2.468494 
8.241766 
1 1 1 7   27  24 o 89.55426 2.593929  1699.771       92.13912 1702.070       
113.1781 1695.254       158.6650 89.77580 3.002785 89.33271 4.230501 0.4430923 
5.187857 
1 1 1 7   27  25 o 61.14517 2.582510  790.5217       65.84843 671.1281       
90.61678 924.1067       95.85100 56.23472 3.838178 66.05562 3.456272 -9.820896 
5.165020 
1 1 1 7   27  26 o 41.69147 3.490488  376.4124       59.78640 286.6461       
83.92358 468.9131       85.19218 36.49109 5.477952 46.89185 4.327364 -10.40076 
6.980977 
1 1 1 7   27  27 o 74.40705 2.572917  1167.637       78.85367 1225.604       
125.4864 1129.811       101.3670 75.83874 3.941183 72.97536 3.308577 2.863373 
5.145833 
1 1 1 7   27  28 o 41.92204 5.083605  391.3237       87.27715 444.1766       
130.8579 348.9741       117.1360 44.80009 6.957321 39.04399 7.414031 5.756092 
10.16721 
1 1 1 7   27  29 o 113.5821 3.214622  2775.451       150.1330 2801.398       
237.8561 2758.268       193.5637 113.7288 4.981552 113.4354 4.064399 0.2934189 
6.429245 
1 1 1 7   27  30 o 16.92985 5.390729  -48.80692      83.38543 -121.9042      
126.2808 7.705353       111.0345 15.51970 7.323434 18.34000 7.912467 -2.820295 
10.78146 
1 1 1 7   27  31 o 36.27966 5.906686  315.1403       88.12566 370.0826       
130.9413 269.6486       119.1488 39.27521 8.207758 33.28411 8.496379 5.991096 
11.81337 
1 1 1 7   27  32 o 61.82391 3.963397  850.0132       102.6053 845.5673       
150.2490 853.8984       140.4571 61.54061 5.815282 62.10720 5.386702 
-0.5665855     7.926794 
1 1 1 7   27  33 o 22.80445 5.967307  109.7056       78.66212 53.96090       
117.7677 154.6098       105.6984 20.28240 8.418416 25.32650 8.459626 -5.044104 
11.93461 
1 1 1 7   27  34 o 41.85075 5.659702  437.0060       96.00853 359.1421       
141.8551 502.8205       130.4179 37.17708 9.140428 46.52443 6.676937 -9.347351 
11.31940 
1 1 1 7   27  35 o 48.74019 4.778417  556.7192       96.76530 585.2233       
149.0306 535.9433       127.2334 49.47078 7.175427 48.00960 6.312393 1.461178 
9.556833 
1 1 1 7   27  36 o 38.36287 6.192306  389.6712       97.01775 433.3333       
147.2287 356.1607       128.9824 40.09676 8.971869 36.62899 8.537223 3.467773 
12.38461 
1 1 1 7   27  37 o 36.10727 6.418944  368.1287       96.81908 428.8521       
147.5982 322.2657       128.2725 38.64945 9.213424 33.56509 8.940033 5.084362 
12.83789 
1 1 1 7   28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   28  2  o 117.1824 2.729149  2952.144       122.2715 2799.440       
222.3172 3018.365       146.4025 114.7556 4.614454 119.6092 2.915445 -4.853615 
5.458297 
1 1 1 7   28  3  o 22.17643 4.608675  97.20039       45.47066 152.9023       
75.56744 65.58557       56.93049 26.16738 6.812752 18.18548 6.208538 7.981899 
9.217349 
1 1 1 7   28  4  o 181.9555 3.415157  6925.165       235.3129 7291.689       
446.2678 6784.013       276.9414 184.7770 5.752660 179.1339 3.682402 5.643066 
6.830313 
1 1 1 7   28  5  o 77.28592 2.637551  1267.347       80.01297 1248.613       
140.2250 1276.391       97.43121 76.76561 4.350907 77.80623 2.982667 -1.040619 
5.275102 
1 1 1 7   28  6  f 26.51221 5.041989  171.8317       59.86975 47.18304       
120.3109 212.8580       69.02271 21.37989 8.642629 31.64454 5.195343 -10.26466 
10.08398 
1 1 1 7   28  7  o 87.64984 2.111375  1615.391       77.31979 1583.138       
103.8869 1655.444       115.7689 86.68616 2.854514 88.61351 3.111810 -1.927345 
4.222749 
1 1 1 7   28  8  o 42.78374 3.024306  390.0619       53.91922 428.2053       
74.58324 348.3000       78.04080 45.01548 3.946394 40.55200 4.583851 4.463486 
6.048613 
1 1 1 7   28  9  o 179.9328 4.203715  7023.412       291.5361 6562.712       
520.1122 7234.471       352.0383 175.0081 7.078806 184.8574 4.536011 -9.849319 
8.407431 
1 1 1 7   28  10 o 105.3731 3.492379  2355.813       142.3689 2358.938       
171.0290 2348.761       256.9201 105.6888 3.854445 105.0574 5.824955 0.6314316 
6.984758 
1 1 1 7   28  11 f 102.7426 2.882914  2231.436       124.1616 2244.735       
171.1856 2216.673       180.3552 103.0857 3.955392 102.3995 4.195194 0.6862946 
5.765829 
1 1 1 7   28  12 o 70.21141 2.815252  1036.331       82.47402 1085.369       
124.8596 998.3748       109.8488 71.65845 4.150262 68.76438 3.804984 2.894066 
5.630505 
1 1 1 7   28  13 o 78.06860 2.933988  1299.715       95.13462 1191.817       
141.6071 1388.475       128.4364 75.04234 4.494692 81.09486 3.772385 -6.052521 
5.867976 
1 1 1 7   28  14 o 69.37395 3.035252  1025.929       87.70285 916.6456       
127.3428 1124.537       120.9640 65.79163 4.610252 72.95626 3.949251 -7.164627 
6.070504 
1 1 1 7   28  15 o 47.35452 3.780013  482.8898       74.03671 426.6364       
110.3412 528.9550       99.85046 44.75299 5.872687 49.95605 4.760833 -5.203068 
7.560026 
1 1 1 7   28  16 o 54.52342 3.529605  638.6816       79.74952 563.6266       
117.9081 701.9708       108.2727 51.47631 5.455785 57.57053 4.479604 -6.094215 
7.059210 
1 1 1 7   28  17 f 158.2796 3.377296  5311.558       223.4414 5353.810       
332.4550 5276.749       301.7584 158.7776 4.987290 157.7816 4.555375 0.9960785 
6.754591 
1 1 1 7   28  18 o 49.83038 3.910104  536.0332       80.31516 486.2277       
122.3608 573.7338       106.4580 47.68757 6.111647 51.97320 4.878876 -4.285633 
7.820209 
1 1 1 7   28  19 o 177.1168 3.720999  6682.748       275.5235 6665.685       
408.4578 6696.995       373.2202 176.7899 5.503143 177.4436 5.009864 
-0.6536865     7.441997 
1 1 1 7   28  20 o 104.9126 3.042458  2332.457       133.9426 2273.007       
185.8980 2396.641       193.1573 103.5299 4.276906 106.2953 4.328310 -2.765320 
6.084916 
1 1 1 7   28  21 o 81.93425 3.250781  1427.592       111.6597 1416.473       
161.9870 1437.659       154.1274 81.60056 4.728334 82.26794 4.462418 
-0.6673813     6.501562 
1 1 1 7   28  22 o 32.20020 6.139049  230.1555       84.43213 282.1042       
130.7366 192.9859       110.5869 35.10915 8.862977 29.29126 8.497017 5.817890 
12.27810 
1 1 1 7   28  23 o 162.2894 3.525915  5612.948       238.0156 5721.764       
363.5032 5531.279       314.9116 163.4834 5.296093 161.0954 4.656147 2.388062 
7.051830 
1 1 1 7   28  24 o 55.65655 7.891442  681.9606       184.3960 0.000000       
0.000000 681.9606       184.3960 ?        ?        55.65655 7.891442 ? ? 
1 1 1 7   28  25 o 39.45008 5.258662  350.8686       84.77403 307.4067       
122.3147 391.0454       117.6014 36.54886 8.177321 42.35130 6.614038 -5.802437 
10.51732 
1 1 1 7   28  26 o 47.02627 3.715960  475.0027       69.10548 471.0741       
84.51009 482.9307       120.0544 46.94426 4.287925 47.10828 6.070184 
-0.1640167     7.431920 
1 1 1 7   28  27 o 19.44194 5.708839  4.350106       80.77405 97.38316       
121.0193 -70.39098      108.4715 23.31906 8.889785 15.56481 7.164851 7.754247 
11.41768 
1 1 1 7   28  28 o 89.13834 3.226549  1693.285       118.5692 1811.943       
188.7838 1615.985       152.3717 91.50346 4.914148 86.77322 4.182536 4.730240 
6.453097 
1 1 1 7   28  29 o 81.99115 3.389490  1430.789       114.9018 1614.226       
182.5608 1310.456       147.8616 86.11631 5.049439 77.86600 4.523022 8.250313 
6.778980 
1 1 1 7   28  30 o 59.77067 3.952875  794.0663       98.32661 704.8255       
142.3699 875.4532       135.9610 56.30177 6.023060 63.23957 5.120902 -6.937798 
7.905751 
1 1 1 7   28  31 o 46.58863 4.417852  486.7805       86.24864 448.7442       
118.6799 529.3539       125.5586 44.62185 6.335059 48.55542 6.159278 -3.933571 
8.835705 
1 1 1 7   28  32 o 41.94952 5.169385  401.4093       87.78653 516.2433       
138.1940 323.7201       113.6669 47.29024 6.960476 36.60881 7.644732 10.68142 
10.33877 
1 1 1 7   28  33 o 18.57787 5.720444  -26.72882      87.71822 97.36974       
133.1497 -121.8892      116.5964 22.73696 9.132957 14.41877 6.890790 8.318190 
11.44089 
1 1 1 7   28  34 o 58.13068 4.219275  774.4012       102.2720 777.0112       
153.5590 772.3206       137.1046 57.92477 6.314398 58.33659 5.597989 
-0.4118195     8.438549 
1 1 1 7   28  35 o 16.41828 5.258754  -35.69891      80.88985 -112.5155      
119.8921 28.48531       109.5916 14.63009 6.990757 18.20646 7.857943 -3.576369 
10.51751 
1 1 1 7   28  36 o 69.33695 3.991029  1119.721       115.1791 1172.907       
176.0301 1079.903       152.3086 70.35674 5.959397 68.31716 5.310258 2.039581 
7.982059 
1 1 1 7   28  37 o 26.69956 6.636440  216.3706       91.94743 213.0247       
142.0916 218.7809       120.6018 26.26516 9.721804 27.13397 9.036364 
-0.8688145     13.27288 
1 1 1 7   29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   29  2  o 49.15388 3.135688  523.1743       55.01329 498.0957       
111.3038 531.2814       63.28368 48.16886 5.503823 50.13889 3.006340 -1.970028 
6.271375 
1 1 1 7   29  3  o 59.09994 2.604148  731.2593       60.80528 766.1884       
106.8005 714.5073       73.96287 60.04272 4.236761 58.15716 3.029226 1.885559 
5.208296 
1 1 1 7   29  4  o 30.77811 4.152188  199.8140       50.27543 253.9584       
84.10028 169.7042       62.71551 33.87600 6.139032 27.68022 5.592400 6.195786 
8.304376 
1 1 1 7   29  5  o 122.1348 2.772181  3220.482       127.9441 3021.072       
236.5097 3302.982       152.1255 119.1527 4.727877 125.1170 2.896056 -5.964279 
5.544363 
1 1 1 7   29  6  o 98.43291 2.518683  2066.504       100.7108 1976.774       
162.7013 2122.240       128.2291 96.58870 4.012228 100.2771 3.045831 -3.688431 
5.037367 
1 1 1 7   29  7  o 116.7812 2.268949  2883.608       110.4865 2917.657       
148.3620 2841.213       165.5504 117.5974 3.005009 115.9649 3.400359 1.632538 
4.537899 
1 1 1 7   29  8  o 148.4265 2.439374  4644.042       151.1021 4747.863       
227.5045 4562.095       202.1217 149.8604 3.615965 146.9925 3.275207 2.867859 
4.878748 
1 1 1 7   29  9  o 70.74519 4.541733  1062.084       134.8955 0.000000       
0.000000 1062.084       134.8955 ?        ?        70.74519 4.541733 ? ? 
1 1 1 7   29  10 o 141.1244 2.987093  4218.978       176.1727 4224.295       
261.9941 4214.589       238.0196 141.1438 4.421307 141.1050 4.017828 
0.3883362E-01  5.974186 
1 1 1 7   29  11 o 31.35258 4.819454  223.7940       63.66862 132.0731       
92.72366 305.6182       87.57851 24.84234 7.909165 37.86283 5.509415 -13.02050 
9.638908 
1 1 1 7   29  12 o 61.25148 3.064443  798.4166       78.46654 739.7305       
113.3428 852.4302       108.7373 59.04811 4.572031 63.45486 4.081639 -4.406754 
6.128886 
1 1 1 7   29  13 o 94.94061 2.781361  1907.113       110.8495 1911.517       
158.1024 1902.855       155.4608 95.04291 3.962230 94.83831 3.904434 0.2045975 
5.562722 
1 1 1 7   29  14 o 48.46187 3.874851  509.5687       77.14787 447.0320       
117.3127 557.2234       102.4071 45.70395 6.113815 51.21978 4.762264 -5.515827 
7.749703 
1 1 1 7   29  15 o 97.84517 2.703344  2031.988       109.8931 1976.684       
166.6634 2074.529       146.1699 96.60468 4.109255 99.08566 3.513730 -2.480972 
5.406688 
1 1 1 7   29  16 o 132.6973 2.710282  3719.533       150.5643 3810.207       
222.5464 3642.998       204.4616 134.1527 3.951320 131.2418 3.710740 2.910873 
5.420565 
1 1 1 7   29  17 o 73.56248 2.941047  1141.879       90.32053 1194.116       
136.3063 1100.989       120.5966 75.02621 4.327369 72.09876 3.984082 2.927444 
5.882094 
1 1 1 7   29  18 o 33.94954 5.408216  256.3579       74.80782 288.9990       
114.2203 231.8392       98.99430 35.80533 7.814456 32.09374 7.478603 3.711590 
10.81643 
1 1 1 7   29  19 o 165.3446 3.567876  5838.835       244.8223 5767.866       
374.3553 5891.872       323.6212 164.2624 5.428338 166.4268 4.631641 -2.164337 
7.135751 
1 1 1 7   29  20 o 26.26172 5.663545  140.5828       75.74353 39.28109       
107.5605 240.2328       106.6800 19.98243 8.135938 32.54101 7.880956 -12.55858 
11.32709 
1 1 1 7   29  21 o 21.31351 5.400809  34.91433       75.98141 -115.6933      
108.9970 177.2853       105.9746 14.50601 6.832979 28.12100 8.365726 -13.61499 
10.80162 
1 1 1 7   29  22 o 20.24704 5.529878  45.08269       73.28072 -49.02348      
110.6318 118.6497       97.81658 16.59618 7.489293 23.89791 8.138103 -7.301722 
11.05976 
1 1 1 7   29  23 o 67.84251 3.343323  984.4173       95.22404 993.1319       
134.6885 975.7083       134.6458 68.14817 4.707575 67.53685 4.748682 0.6113205 
6.686647 
1 1 1 7   29  24 o 64.62065 3.258853  898.3466       87.95628 828.5035       
127.4532 961.8547       121.5356 62.13273 4.885976 67.10857 4.313668 -4.975845 
6.517706 
1 1 1 7   29  25 o 91.13992 3.196033  1772.365       121.8193 1875.577       
182.1580 1688.857       163.8499 93.47670 4.641581 88.80314 4.394797 4.673561 
6.392067 
1 1 1 7   29  26 o 53.68985 8.482356  656.1478       191.1999 0.000000       
0.000000 656.1478       191.1999 ?        ?        53.68985 8.482356 ? ? 
1 1 1 7   29  27 o 41.03690 5.392673  389.5371       90.16626 331.5961       
129.9213 443.3748       125.2364 37.39592 8.470299 44.67789 6.676654 -7.281979 
10.78535 
1 1 1 7   29  28 o 32.04227 5.664347  244.7508       87.11533 85.39907       
127.6881 383.5127       119.1536 22.74272 9.011741 41.34182 6.864970 -18.59909 
11.32869 
1 1 1 7   29  29 o 23.96113 5.887131  123.2844       79.28329 22.37826       
126.1504 189.1624       101.9296 19.81755 8.488853 28.10472 8.159204 -8.287167 
11.77426 
1 1 1 7   29  30 o 33.24743 6.055324  264.4521       84.32628 327.6932       
132.5395 221.4423       109.3024 36.41149 8.763108 30.08337 8.359171 6.328121 
12.11065 
1 1 1 7   29  31 o 61.72923 3.854951  856.2003       97.33819 806.1316       
152.9896 890.2527       126.1690 59.75742 6.098052 63.70103 4.717666 -3.943615 
7.709903 
1 1 1 7   29  32 o 55.24900 4.236356  686.6814       97.46989 739.4627       
149.4339 647.5982       128.5891 56.89367 6.256140 53.60434 5.713805 3.289326 
8.472713 
1 1 1 7   29  33 o 60.48959 3.990239  847.6614       98.55195 682.0634       
145.6286 987.5781       133.8609 54.28039 6.390351 66.69878 4.780317 -12.41839 
7.980478 
1 1 1 7   29  34 o 19.49826 5.928438  38.55630       88.32383 -8.540356      
139.9381 69.74105       113.8707 18.70816 8.433741 20.28836 8.334119 -1.580204 
11.85688 
1 1 1 7   29  35 o 23.38396 6.249005  113.7161       84.62184 227.5525       
139.1752 46.94788       106.5875 28.17140 9.702211 18.59652 7.878283 9.574886 
12.49801 
1 1 1 7   29  36 o 20.43832 6.046808  86.69523       86.28963 56.66471       
143.5550 103.6837       107.9726 20.00794 8.813391 20.86871 8.281284 
-0.8607655     12.09362 
1 1 1 7   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   30  2  o 64.90533 4.574342  902.3417       124.6488 0.000000       
0.000000 902.3417       124.6488 ?        ?        64.90533 4.574342 ? ? 
1 1 1 7   30  3  o 91.31072 2.906983  1742.644       99.10600 1852.074       
192.6397 1703.256       115.5738 92.92145 4.937998 89.70000 3.068938 3.221451 
5.813967 
1 1 1 7   30  4  o 61.33375 3.281751  681.0250       66.96043 1020.991       
164.9070 613.9064       73.27282 68.82169 5.707354 53.84580 3.241247 14.97589 
6.563503 
1 1 1 7   30  5  o 98.68846 2.546335  2097.627       101.9934 1926.782       
163.0936 2207.354       130.7054 95.19725 4.080690 102.1797 3.046843 -6.982414 
5.092669 
1 1 1 7   30  6  o 95.10608 2.593547  1936.364       98.83246 1851.600       
164.7621 1984.007       123.5231 93.31891 4.205414 96.89326 3.036518 -3.574348 
5.187094 
1 1 1 7   30  7  o 53.84997 2.541396  615.6456       57.31019 655.4689       
80.25340 574.2035       81.86843 55.65202 3.434817 52.04792 3.746572 3.604095 
5.082792 
1 1 1 7   30  8  o 38.60281 3.676293  322.9747       58.69743 277.1531       
86.27660 362.4603       80.08967 35.94572 5.716982 41.25989 4.623486 -5.314163 
7.352585 
1 1 1 7   30  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   30  10 o 76.22534 2.673572  1235.784       85.05697 1175.741       
125.4320 1286.898       115.7303 74.46106 4.012363 77.98962 3.534527 -3.528564 
5.347144 
1 1 1 7   30  11 o 79.90533 2.718543  1346.513       90.95688 1438.032       
134.7776 1269.970       123.2579 82.37721 3.897011 77.43346 3.791465 4.943756 
5.437086 
1 1 1 7   30  12 o 68.20825 2.871483  988.6591       82.05545 934.0510       
117.5012 1040.640       114.6395 66.33856 4.218883 70.07794 3.896496 -3.739380 
5.742965 
1 1 1 7   30  13 o 44.59938 3.814054  426.9868       71.02731 380.5279       
101.2021 472.0860       99.71013 42.14854 5.719102 47.05021 5.047761 -4.901665 
7.628108 
1 1 1 7   30  14 o 110.6927 2.891412  2602.317       134.0992 2541.707       
194.5846 2657.142       185.0632 109.4217 4.235710 111.9638 3.936982 -2.542168 
5.782825 
1 1 1 7   30  15 o 98.27010 2.834339  2042.876       116.7535 2138.881       
171.0799 1959.185       159.7324 100.4131 4.058163 96.12705 3.957932 4.286095 
5.668678 
1 1 1 7   30  16 o 19.18518 5.488062  35.67984       67.85584 60.29456       
105.0400 18.05087       88.89365 20.87125 8.204033 17.49911 7.291718 3.372131 
10.97612 
1 1 1 7   30  17 o 73.48850 2.879478  1134.241       88.09186 1238.398       
135.5869 1058.159       115.8823 76.34432 4.230210 70.63268 3.907801 5.711639 
5.758957 
1 1 1 7   30  18 f 51.29910 3.781349  570.0380       80.46607 497.1506       
117.6807 634.0375       110.2726 48.08799 5.828943 54.51022 4.818487 -6.422237 
7.562698 
1 1 1 7   30  19 o 26.01338 5.770926  145.8830       71.87270 192.4071       
102.7641 101.3345       100.5585 29.10957 8.110769 22.91719 8.211565 6.192375 
11.54185 
1 1 1 7   30  20 o 35.66314 5.206674  300.4328       75.59656 195.5937       
115.3907 379.2650       100.0601 29.35754 8.728639 41.96875 5.678793 -12.61121 
10.41335 
1 1 1 7   30  21 o 84.85309 2.992516  1530.909       106.3836 1590.993       
156.6220 1479.444       144.9529 86.36812 4.319369 83.33805 4.142903 3.030067 
5.985031 
1 1 1 7   30  22 o 126.0393 3.279660  3367.668       171.2396 3606.086       
268.2716 3203.737       222.4521 129.6049 4.930310 122.4737 4.326281 7.131203 
6.559319 
1 1 1 7   30  23 o 84.55844 2.980963  1502.427       103.3345 1645.472       
168.0972 1415.536       131.0127 87.60696 4.570282 81.50993 3.828458 6.097023 
5.961926 
1 1 1 7   30  24 o 90.51685 2.852587  1742.111       107.8024 1836.417       
162.8000 1668.470       143.8618 92.62426 4.186495 88.40942 3.875858 4.214836 
5.705175 
1 1 1 7   30  25 o 27.14558 6.064819  169.2745       79.24748 122.3070       
115.9788 210.4077       108.5367 24.38783 8.810731 29.90333 8.336614 -5.515495 
12.12964 
1 1 1 7   30  26 o 25.29998 6.164547  141.3447       80.75422 102.3725       
120.2740 173.3346       108.9686 23.34078 8.872773 27.25918 8.560402 -3.918394 
12.32909 
1 1 1 7   30  27 o 43.13012 5.033414  425.9018       88.69368 379.8990       
125.1352 472.3433       125.7305 40.27109 7.677008 45.98915 6.511881 -5.718067 
10.06683 
1 1 1 7   30  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   30  29 o 35.55258 6.194753  312.6104       91.99884 336.3723       
131.7500 289.9987       128.5221 36.96290 8.636962 34.14227 8.882722 2.820629 
12.38951 
1 1 1 7   30  30 o 27.37782 6.164246  169.2093       76.83835 247.0645       
132.9531 130.1632       94.15512 31.11064 9.393726 23.64501 7.984337 7.465624 
12.32849 
1 1 1 7   30  31 o 26.11879 5.747495  175.7975       71.10921 102.9341       
131.7017 205.7788       84.48161 22.99996 9.140100 29.23761 6.970892 -6.237648 
11.49499 
1 1 1 7   30  32 o 68.43726 3.394937  1041.039       92.32620 1033.056       
157.3668 1045.230       114.0099 67.62008 5.543175 69.25444 3.921173 -1.634361 
6.789874 
1 1 1 7   30  33 o 24.05127 5.873519  147.6136       75.75382 61.87593       
136.6408 185.6600       91.02296 20.98691 8.906983 27.11562 7.658887 -6.128714 
11.74704 
1 1 1 7   30  34 o 64.93110 3.672678  976.6556       91.58858 915.8629       
162.7071 1004.853       110.8121 62.30608 6.220096 67.55611 3.907000 -5.250031 
7.345356 
1 1 1 7   30  35 o 22.97674 5.997216  136.3705       74.67248 161.1560       
121.4767 121.3167       94.67118 24.16193 8.979821 21.79155 7.951680 2.370378 
11.99443 
1 1 1 7   30  36 o 41.25397 5.375870  457.0455       83.59228 417.9732       
146.0883 476.0661       101.9279 37.61780 9.292462 44.89014 5.408332 -7.272339 
10.75174 
1 1 1 7   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   31  3  o 79.39850 3.694629  1380.814       119.6510 1292.456       
189.6307 1439.259       154.2274 76.94439 5.870200 81.85261 4.487971 -4.908218 
7.389258 
1 1 1 7   31  4  o 28.82039 5.440022  192.7030       63.01969 179.5019       
118.6716 197.8880       74.37311 28.05188 8.949332 29.58891 6.187472 -1.537029 
10.88004 
1 1 1 7   31  5  o 143.7740 3.994278  4537.229       229.9525 4263.775       
380.9911 4693.930       288.4089 139.5994 6.500585 147.9487 4.643212 -8.349335 
7.988556 
1 1 1 7   31  6  o 35.84763 4.508161  305.4958       58.50199 238.4255       
107.2664 333.8924       69.79623 32.14057 7.976792 39.55469 4.202957 -7.414124 
9.016322 
1 1 1 7   31  7  o 67.61801 2.682060  964.2856       72.53706 997.9542       
123.8395 946.7018       89.49635 68.38341 4.313496 66.85262 3.188658 1.530785 
5.364120 
1 1 1 7   31  8  o 77.66235 2.486343  1277.839       81.01474 1234.033       
112.1353 1325.671       117.1751 76.27507 3.501715 79.04964 3.530664 -2.774574 
4.972685 
1 1 1 7   31  9  o 43.33698 6.112710  406.3277       111.2170 406.3277       
111.2170 0.000000       0.000000 43.33698 6.112710 ?        ?        ? ? 
1 1 1 7   31  10 o 22.43589 5.110445  83.35168       59.31094 187.1206       
94.23188 15.27143       76.32642 28.68177 7.673048 16.19000 6.752105 12.49177 
10.22089 
1 1 1 7   31  11 o 69.30809 2.714604  1003.559       78.33518 1162.031       
120.4017 887.2396       103.1530 73.96815 3.877117 64.64802 3.800562 9.320137 
5.429208 
1 1 1 7   31  12 o 49.88251 3.353251  532.2343       69.96010 476.7037       
98.38667 589.0284       99.49975 47.20561 4.964365 52.55940 4.509129 -5.353790 
6.706501 
1 1 1 7   31  13 f 28.33097 5.314719  184.0815       67.80495 103.6834       
99.10171 254.8428       92.97284 22.97445 8.159863 33.68749 6.811870 -10.71305 
10.62944 
1 1 1 7   31  14 o 135.1927 2.940546  3901.786       165.4857 3777.077       
248.5003 4001.162       221.8284 133.1160 4.446493 137.2694 3.849148 -4.153336 
5.881092 
1 1 1 7   31  15 o 85.28062 2.812684  1537.411       99.65358 1603.006       
153.6922 1489.829       130.8988 86.77550 4.218674 83.78574 3.721231 2.989761 
5.625369 
1 1 1 7   31  16 o 25.94706 5.851104  145.2986       72.27450 179.3236       
106.5320 116.2832       98.37745 28.16815 8.389317 23.72597 8.158496 4.442186 
11.70221 
1 1 1 7   31  17 o 44.68197 4.043458  424.4340       74.22701 460.4579       
119.7380 401.9500       94.59631 46.09724 6.186971 43.26669 5.207647 2.830551 
8.086915 
1 1 1 7   31  18 o 25.20613 5.184590  134.3109       72.89570 -44.67508      
116.2877 250.1702       93.55984 17.15763 7.713971 33.25465 6.929253 -16.09702 
10.36918 
1 1 1 7   31  19 o 43.49864 4.944005  444.7202       82.98545 315.8846       
127.5414 539.3062       109.2815 36.93495 8.410622 50.06232 5.199440 -13.12737 
9.888010 
1 1 1 7   31  20 o 41.84537 4.399080  395.1915       73.30662 325.4002       
109.5336 451.8132       98.65942 37.88809 7.147339 45.80265 5.130610 -7.914566 
8.798160 
1 1 1 7   31  21 o 91.05231 2.904984  1766.680       109.4850 1799.123       
170.2828 1743.817       142.9495 91.63491 4.426199 90.46970 3.763575 1.165207 
5.809968 
1 1 1 7   31  22 o 41.29206 4.685412  388.6302       77.20532 326.9611       
115.9151 437.8015       103.5053 37.67849 7.594128 44.90564 5.490133 -7.227158 
9.370824 
1 1 1 7   31  23 o 28.71899 5.836951  188.1259       74.95051 245.1244       
112.1655 142.1442       100.7441 32.24932 8.250405 25.18867 8.258984 7.060652 
11.67390 
1 1 1 7   31  24 o 65.29713 3.322475  922.0452       90.91620 906.6302       
131.9259 935.9877       125.4669 64.71374 4.855732 65.88054 4.536211 -1.166801 
6.644949 
1 1 1 7   31  25 o 20.89454 5.632940  56.61493       78.54895 -76.12001      
123.9135 145.7821       101.5613 16.52312 7.626000 25.26596 8.292417 -8.742834 
11.26588 
1 1 1 7   31  26 o 30.82372 6.170199  228.5559       85.27394 291.6284       
122.9219 170.0420       118.3965 34.71354 8.492508 26.93390 8.953365 7.779633 
12.34040 
1 1 1 7   31  27 o 29.08417 6.432177  206.8119       87.40623 190.1439       
124.9374 222.7904       122.3261 28.06237 9.197357 30.10596 8.994453 -2.043598 
12.86435 
1 1 1 7   31  28 o 86.74348 3.432215  1641.039       124.6301 1487.820       
169.8730 1819.653       183.4116 82.33501 4.914293 91.15196 4.792717 -8.816956 
6.864431 
1 1 1 7   31  29 o 52.41360 4.431967  622.6857       97.40344 666.3713       
140.0506 581.7580       135.5578 54.26707 6.147093 50.56013 6.386123 3.706944 
8.863934 
1 1 1 7   31  30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   31  31 o 25.21712 6.435881  142.6086       91.43182 231.7907       
134.0739 65.07739       125.0097 29.59127 9.519658 20.84298 8.663623 8.748297 
12.87176 
1 1 1 7   31  32 o 50.07477 4.285572  595.2162       82.71999 529.6009       
143.3318 627.9852       101.2909 46.93514 7.273867 53.21440 4.533801 -6.279255 
8.571143 
1 1 1 7   31  33 o 55.57557 3.880024  712.3309       84.46388 699.0518       
146.8270 718.8990       103.2604 54.27693 6.443348 56.87421 4.324536 -2.597282 
7.760048 
1 1 1 7   31  34 o 19.16447 5.770911  35.01244       76.28989 135.2930       
138.1718 -8.965766      91.50182 23.11773 9.296256 15.21121 6.840561 7.906529 
11.54182 
1 1 1 7   31  35 o 19.44191 5.850992  55.95560       77.77612 129.8500       
140.4534 23.27574       93.40427 22.45530 9.245413 16.42851 7.173477 6.026796 
11.70198 
1 1 1 7   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   32  3  o 31.02325 5.151124  200.5218       60.13858 291.0955       
118.0075 168.7467       69.89594 34.95626 8.178022 27.09024 6.265483 7.866022 
10.30225 
1 1 1 7   32  4  o 39.66415 4.695597  369.7855       67.11814 321.2409       
124.5647 389.6452       79.67301 36.81905 8.262261 42.50925 4.464253 -5.690208 
9.391193 
1 1 1 7   32  5  o 22.38275 5.891173  60.76914       67.24314 183.9951       
136.4061 21.21048       77.28649 28.35166 9.610231 16.41384 6.816680 11.93783 
11.78235 
1 1 1 7   32  6  o 60.71019 3.799599  843.3460       84.18185 708.3928       
158.3323 896.5287       99.39455 56.58987 6.664258 64.83051 3.651777 -8.240635 
7.599197 
1 1 1 7   32  7  o 54.82975 3.911271  660.8222       82.41340 633.4846       
148.3605 673.0225       99.11170 53.60733 6.591969 56.05218 4.211662 -2.444855 
7.822542 
1 1 1 7   32  8  o 55.95638 3.022367  672.4363       70.73838 732.4964       
99.53459 611.1426       100.5515 58.54489 4.049544 53.36787 4.487762 5.177021 
6.044734 
1 1 1 7   32  9  o 79.00609 3.563024  1301.084       103.2472 1255.823       
118.9565 1439.305       207.8802 76.79379 3.689632 81.21839 6.096488 -4.424606 
7.126048 
1 1 1 7   32  10 f 91.24272 2.622410  1771.705       100.4105 1848.149       
143.3830 1698.136       140.6600 93.18839 3.664857 89.29705 3.751927 3.891335 
5.244820 
1 1 1 7   32  11 o 48.31873 3.464885  504.6057       69.83431 446.6579       
99.79132 560.2198       97.76123 45.50785 5.223090 51.12960 4.554234 -5.621746 
6.929770 
1 1 1 7   32  12 o 91.56450 2.642758  1784.733       101.5705 1759.308       
144.4480 1809.600       142.8502 90.90332 3.784887 92.22569 3.689351 -1.322365 
5.285516 
1 1 1 7   32  13 o 122.6171 2.886706  3210.664       148.0597 3177.069       
218.2618 3239.301       201.5154 121.9323 4.263638 123.3020 3.892773 -1.369751 
5.773412 
1 1 1 7   32  14 o 108.6573 2.875228  2494.888       130.3427 2313.150       
172.9343 2733.922       198.3291 104.1676 3.954299 113.1470 4.175076 -8.979424 
5.750456 
1 1 1 7   32  15 o 53.73088 3.487066  619.1772       78.39082 694.4769       
113.8245 551.2380       108.1182 56.87216 4.767129 50.58960 5.090480 6.282558 
6.974131 
1 1 1 7   32  16 o 56.34862 3.411772  687.2003       80.02426 635.6331       
118.2134 730.8207       108.7240 54.28103 5.187280 58.41621 4.433156 -4.135181 
6.823544 
1 1 1 7   32  17 o 34.10577 5.445398  273.3354       76.47742 215.8257       
112.4023 322.9063       104.3562 30.42463 8.484365 37.78691 6.828250 -7.362282 
10.89080 
1 1 1 7   32  18 o 52.40291 3.697707  601.4226       80.07494 494.0331       
115.1422 702.0081       111.4349 47.65129 5.755471 57.15452 4.643996 -9.503223 
7.395414 
1 1 1 7   32  19 o 56.31158 3.971112  710.9946       90.47600 522.6747       
132.0215 877.7631       124.2377 48.74387 6.451275 63.87930 4.632491 -15.13543 
7.942224 
1 1 1 7   32  20 o 53.27890 3.825368  639.5140       81.95454 511.1425       
126.9614 731.2131       107.3049 48.21136 6.272537 58.34643 4.380528 -10.13507 
7.650735 
1 1 1 7   32  21 o 30.98593 5.900287  226.6294       78.27183 234.2806       
115.6549 220.1635       106.3195 31.41289 8.544554 30.55896 8.139051 0.8539238 
11.80057 
1 1 1 7   32  22 o 66.45288 3.511501  963.4823       97.20767 904.0781       
143.7915 1013.482       131.9193 64.39697 5.318497 68.50878 4.586519 -4.111809 
7.023003 
1 1 1 7   32  23 o 84.51939 3.099712  1548.171       109.4316 1395.350       
156.4662 1694.501       153.1076 80.27868 4.642388 88.76009 4.108659 -8.481415 
6.199423 
1 1 1 7   32  24 o 55.44772 3.726942  669.3754       86.29256 712.0605       
130.3102 636.0380       115.1612 56.93160 5.451878 53.96384 5.083052 2.967762 
7.453884 
1 1 1 7   32  25 o 66.38486 3.556289  972.3113       95.72124 931.3890       
154.8929 997.5959       121.7531 64.86733 5.687569 67.90237 4.270869 -3.035042 
7.112578 
1 1 1 7   32  26 o 88.61105 3.302093  1702.349       121.9837 1806.578       
185.7558 1623.322       161.7473 90.83131 4.871110 86.39079 4.459546 4.440521 
6.604185 
1 1 1 7   32  27 o 45.05234 4.945983  471.5294       91.07077 527.0975       
130.2501 418.3792       127.3847 48.18320 6.438781 41.92147 7.509533 6.261723 
9.891966 
1 1 1 7   32  28 o 57.54909 4.339994  749.0688       103.0169 582.8660       
141.3336 937.4573       150.4712 50.35102 6.685871 64.74715 5.535461 -14.39612 
8.679989 
1 1 1 7   32  29 o 28.49208 6.563313  208.6614       90.06372 204.1719       
129.5058 212.8663       125.3353 28.21612 9.364002 28.76805 9.199120 
-0.5519238     13.12663 
1 1 1 7   32  30 f 34.27869 6.339434  306.5615       92.18837 318.4931       
133.7686 295.7686       127.2255 34.85847 9.059023 33.69890 8.870614 1.159576 
12.67887 
1 1 1 7   32  31 o 17.56733 5.577927  -40.16103      88.71336 60.41311       
130.5048 -126.5585      120.9577 20.66141 8.733485 14.47325 6.941131 6.188164 
11.15585 
1 1 1 7   32  32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   32  33 o 20.01096 6.057208  65.69003       89.89154 57.66359       
140.3168 71.27720       117.0695 20.17744 8.801520 19.84447 8.324200 0.3329659 
12.11442 
1 1 1 7   32  34 o 16.11834 5.118065  6.225151       69.51486 -65.94966      
135.8878 31.80770       80.90206 16.15185 7.614440 16.08482 6.840954 
0.6702805E-01  10.23613 
1 1 1 7   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   33  3  o 72.44743 3.576159  1127.121       108.7724 0.000000       
0.000000 1127.121       108.7724 ?        ?        72.44743 3.576159 ? ? 
1 1 1 7   33  4  o 23.09539 5.185328  73.84402       60.34975 238.8906       
108.8199 0.5345214      72.52459 31.42097 8.173020 14.76982 6.383749 16.65115 
10.37066 
1 1 1 7   33  5  o 26.79406 5.676824  126.7197       67.69381 295.0800       
128.1999 61.62914       79.71259 34.76919 8.776217 18.81893 7.203010 15.95027 
11.35365 
1 1 1 7   33  6  o 23.92752 5.736174  22.10944       71.61744 298.8777       
146.7937 -64.34713      82.04430 34.70016 9.702095 13.15489 6.122428 21.54528 
11.47235 
1 1 1 7   33  7  o 44.08340 4.655710  416.7597       79.64793 479.2251       
146.9615 390.7815       94.77371 45.88475 7.628798 42.28205 5.338914 3.602703 
9.311420 
1 1 1 7   33  8  o 42.82840 5.112239  385.6790       82.12347 504.3551       
157.2081 341.1393       96.30896 46.26107 8.404399 39.39574 5.822889 6.865326 
10.22448 
1 1 1 7   33  9  o 46.71667 4.083011  478.5954       80.07925 474.2816       
113.1477 482.9245       113.3509 46.49821 5.796030 46.93512 5.752386 
-0.4369164     8.166021 
1 1 1 7   33  10 o 81.50273 2.763373  1423.046       94.45496 1497.801       
133.5914 1348.317       133.5676 83.68690 3.802261 79.31855 4.010952 4.368355 
5.526746 
1 1 1 7   33  11 f 84.97149 2.546248  1545.032       86.22025 1526.459       
146.5811 1554.858       106.6146 84.35810 4.138779 85.58488 2.967159 -1.226776 
5.092497 
1 1 1 7   33  12 o 20.40488 5.211081  32.68370       66.74338 170.7254       
102.5597 -68.72635      87.90469 27.13718 8.261774 13.67257 6.353308 13.46461 
10.42216 
1 1 1 7   33  13 o 77.71385 2.887928  1287.828       93.85802 1363.736       
140.3777 1226.460       126.2190 79.73167 4.193611 75.69602 3.971666 4.035652 
5.775855 
1 1 1 7   33  14 o 31.11068 5.365129  226.1617       69.45320 215.1900       
100.8668 236.0534       95.77424 30.30632 7.861984 31.91504 7.302579 -1.608719 
10.73026 
1 1 1 7   33  15 o 60.64164 3.286786  793.6881       83.59361 767.9298       
119.5571 818.3248       116.9253 59.63361 4.775352 61.64967 4.517505 -2.016060 
6.573571 
1 1 1 7   33  16 o 41.76649 4.192576  372.9070       72.57182 455.5005       
113.7427 316.1988       94.24823 45.56229 5.946192 37.97070 5.912154 7.591591 
8.385152 
1 1 1 7   33  17 o 84.43877 2.703370  1519.583       95.42083 1584.386       
142.8447 1467.364       128.2266 86.00232 3.956171 82.87522 3.685314 3.127098 
5.406740 
1 1 1 7   33  18 o 48.37697 4.064950  528.7360       79.76044 411.0060       
118.9377 624.9493       107.5210 43.00787 6.587075 53.74607 4.765050 -10.73821 
8.129899 
1 1 1 7   33  19 o 50.91358 3.863190  570.1411       81.90046 534.5663       
121.2958 599.9505       111.0329 49.29109 5.861362 52.53607 5.034023 -3.244980 
7.726380 
1 1 1 7   33  20 o 33.61835 5.831022  261.9825       83.19024 369.8062       
126.2020 179.1288       110.6279 39.67791 7.855377 27.55880 8.619533 12.11911 
11.66204 
1 1 1 7   33  21 o 25.92563 5.860945  158.8050       75.17937 94.01029       
118.7956 202.0906       97.09616 22.68306 8.765783 29.16820 7.782271 -6.485142 
11.72189 
1 1 1 7   33  22 o 33.17020 5.644320  265.1605       78.08123 223.7936       
112.0283 304.2390       108.8858 30.40154 8.467735 35.93888 7.465312 -5.537342 
11.28864 
1 1 1 7   33  23 o 33.11258 5.935646  268.6593       82.69630 245.7672       
122.9268 287.5842       111.7684 31.58043 8.894202 34.64473 7.862615 -3.064308 
11.87129 
1 1 1 7   33  24 o 70.67865 3.270466  1087.983       96.76414 1109.174       
142.9057 1070.040       131.4956 71.22360 4.779106 70.13370 4.465865 1.089905 
6.540933 
1 1 1 7   33  25 o 44.68938 5.267994  467.1355       95.72099 554.8453       
139.8374 389.8026       131.3050 49.26978 6.760264 40.10898 8.081206 9.160801 
10.53599 
1 1 1 7   33  26 f 84.01662 3.285383  1546.715       115.7667 1582.678       
168.2565 1514.385       159.5296 84.88421 4.721348 83.14904 4.569883 1.735168 
6.570765 
1 1 1 7   33  27 o 18.49506 5.738714  6.611586       85.38969 10.68317       
121.5414 2.643147       119.9920 18.68768 8.171227 18.30245 8.059924 0.3852329 
11.47743 
1 1 1 7   33  28 o 19.15641 5.879027  14.23263       90.40875 -52.39258      
135.8447 67.20690       121.1311 17.49463 8.038422 20.81819 8.581119 -3.323559 
11.75805 
1 1 1 7   33  29 o 36.45798 4.802492  270.3683       92.81537 742.4079       
144.0719 -64.54129      121.3539 56.83389 6.037997 16.08208 7.469826 40.75181 
9.604983 
1 1 1 7   33  30 o 45.50652 5.356735  484.3382       94.47874 858.7636       
150.4963 240.7885       121.3772 61.02108 5.874445 29.99194 8.959315 31.02914 
10.71347 
1 1 1 7   33  31 o 21.79608 6.192977  91.82192       87.76546 158.0525       
132.5159 40.06948       117.1397 24.68434 9.333881 18.90782 8.141900 5.776520 
12.38595 
1 1 1 7   33  32 o 38.14280 5.715136  374.0974       93.08365 607.5129       
143.9588 206.3931       122.0241 49.47582 6.930528 26.80977 9.089493 22.66605 
11.43027 
1 1 1 7   33  33 o 20.44146 6.113812  84.82560       89.87389 102.0256       
136.0667 71.51413       119.7019 21.27676 8.951870 19.60615 8.329394 1.670614 
12.22762 
1 1 1 7   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   34  4  o 52.87465 3.931169  601.5669       75.88513 671.8246       
153.3634 578.7886       87.32430 54.09378 6.752982 51.65551 4.026609 2.438263 
7.862338 
1 1 1 7   34  5  o 42.98290 4.415273  400.3109       74.57893 467.6987       
134.7837 370.5747       89.53412 45.02010 7.131024 40.94570 5.208364 4.074402 
8.830546 
1 1 1 7   34  6  o 41.69373 5.487260  419.2607       77.32760 394.7222       
163.1535 426.3698       87.81754 39.23087 9.899525 44.15659 4.737037 -4.925720 
10.97452 
1 1 1 7   34  7  o 23.51269 6.090779  79.92590       74.78954 218.6584       
141.7455 26.40264       88.04232 29.70180 9.796513 17.32359 7.240076 12.37821 
12.18156 
1 1 1 7   34  8  o 44.61192 5.741031  441.3775       107.5276 0.000000       
0.000000 441.3775       107.5276 ?        ?        44.61192 5.741031 ? ? 
1 1 1 7   34  9  o 14.94066 4.751803  -41.18196      64.01243 -85.23758      
89.14275 5.720994       91.97832 13.17078 6.196821 16.71055 7.205411 -3.539771 
9.503607 
1 1 1 7   34  10 o 53.27586 3.765464  627.1373       83.57154 673.3977       
114.4860 574.3690       122.2740 55.56880 4.907300 50.98291 5.712556 4.585892 
7.530929 
1 1 1 7   34  11 o 17.31672 5.177454  -18.95919      70.97553 -111.4771      
98.12293 82.56634       102.7887 13.33303 6.359826 21.30042 8.171705 -7.967391 
10.35491 
1 1 1 7   34  12 o 17.72470 5.202287  29.30294       63.76360 10.28646       
96.84611 43.85437       84.71687 17.33950 7.432947 18.10991 7.280555 
-0.7704048     10.40457 
1 1 1 7   34  13 o 39.54609 4.424713  336.9292       70.34432 450.5455       
113.2530 265.5639       89.75799 45.09794 5.981555 33.99424 6.521758 11.10370 
8.849425 
1 1 1 7   34  14 o 30.86741 5.280696  230.2838       70.09121 145.2799       
101.9093 306.5903       96.55513 25.15991 8.306610 36.57491 6.522517 -11.41499 
10.56139 
1 1 1 7   34  15 o 54.64165 3.502923  650.2726       80.13477 655.0612       
117.9370 646.1657       109.2197 54.75583 5.130278 54.52748 4.770969 0.2283554 
7.005847 
1 1 1 7   34  16 o 37.65561 4.794967  323.3237       73.64330 322.8513       
110.5019 323.7012       98.77646 37.16325 7.343694 38.14797 6.167413 
-0.9847260     9.589933 
1 1 1 7   34  17 o 48.60843 3.889406  523.8948       78.31247 430.6808       
110.8914 616.6367       110.6102 44.04946 5.996232 53.16739 4.955311 -9.117928 
7.778811 
1 1 1 7   34  18 o 32.25301 5.737964  254.1660       78.24939 208.5462       
116.7618 291.3585       105.4270 29.32699 8.792732 35.17903 7.374602 -5.852043 
11.47593 
1 1 1 7   34  19 o 56.30132 3.546779  688.7653       83.43875 742.2632       
125.6631 646.5808       111.5874 58.18386 5.144299 54.41877 4.884133 3.765091 
7.093558 
1 1 1 7   34  20 f 92.43867 3.004850  1854.500       116.2187 1784.276       
169.3799 1916.972       159.7579 90.64442 4.450840 94.23291 4.038134 -3.588486 
6.009700 
1 1 1 7   34  21 o 51.44321 4.129454  586.3055       88.78271 669.2304       
130.7429 515.3447       120.9442 54.88238 5.674222 48.00406 6.001064 6.878323 
8.258908 
1 1 1 7   34  22 o 36.59115 5.518969  335.8450       83.02444 230.2220       
127.7810 413.0119       109.2202 30.30029 9.221272 42.88202 6.066648 -12.58173 
11.03794 
1 1 1 7   34  23 o 69.21957 3.414953  1039.109       97.96157 1136.325       
153.6660 972.5510       127.1480 71.73252 5.102498 66.70662 4.540060 5.025902 
6.829907 
1 1 1 7   34  24 o 56.10675 3.885674  702.8797       90.89095 702.2429       
136.5411 703.3865       121.7971 55.87966 5.820104 56.33384 5.149781 
-0.4541817     7.771348 
1 1 1 7   34  25 o 44.31218 5.665916  483.7888       100.2285 432.4686       
155.2842 520.4373       131.2233 41.07235 9.230721 47.55201 6.572992 -6.479656 
11.33183 
1 1 1 7   34  26 o 18.68124 5.729315  8.756005       85.54181 -48.98690      
121.8956 64.78581       120.0738 16.67525 7.642044 20.68723 8.538114 -4.011978 
11.45863 
1 1 1 7   34  27 o 20.38876 6.037556  57.50955       86.96048 44.71270       
124.1843 69.82202       121.8114 19.91638 8.473217 20.86114 8.603076 
-0.9447556     12.07511 
1 1 1 7   34  28 o 26.32742 5.707019  71.98692       93.92846 395.9476       
146.8321 -152.4094      122.2032 38.62317 9.178249 14.03167 6.785277 24.59150 
11.41404 
1 1 1 7   34  29 o 22.62969 6.184878  104.5810       86.23146 182.5908       
128.8523 41.30333       116.0495 26.20866 9.304817 19.05073 8.150536 7.157934 
12.36976 
1 1 1 7   34  30 o 14.74810 4.937996  -110.6044      85.42086 -230.1736      
130.4983 -20.96544      112.9910 13.08068 6.463582 16.41552 7.467083 -3.334837 
9.875992 
1 1 1 7   34  31 o 21.87483 6.254630  113.8859       88.38517 129.0700       
135.0059 102.4964       116.9256 22.64586 9.154889 21.10380 8.524645 1.542057 
12.50926 
1 1 1 7   34  32 o 23.22059 6.262786  126.5492       90.20430 250.1849       
137.1130 32.20564       119.7741 28.33490 9.635100 18.10629 8.003424 10.22861 
12.52557 
1 1 1 7   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   35  4  o 27.25690 8.382005  188.2796       105.2106 0.000000       
0.000000 188.2796       105.2106 ?        ?        27.25690 8.382005 ? ? 
1 1 1 7   35  5  o 15.26230 5.004804  -57.43912      68.86398 -22.58590      
127.2216 -71.88300      81.89951 17.83992 8.041926 12.68467 5.959837 5.155250 
10.00961 
1 1 1 7   35  6  o 28.50557 6.045094  196.5260       72.45751 220.9831       
138.9869 187.3983       84.90875 29.22651 9.700715 27.78462 7.215869 1.441883 
12.09019 
1 1 1 7   35  7  o 32.00762 6.431203  231.3812       80.91110 342.3428       
163.9659 195.6641       93.02620 35.73498 10.34005 28.28026 7.650157 7.454720 
12.86241 
1 1 1 7   35  8  o 41.26205 7.557442  408.1090       126.0422 0.000000       
0.000000 408.1090       126.0422 ?        ?        41.26205 7.557442 ? ? 
1 1 1 7   35  9  o 69.54694 3.066518  1055.135       89.36928 1083.035       
123.8008 1024.775       129.1429 70.60006 4.176759 68.49382 4.490970 2.106239 
6.133036 
1 1 1 7   35  10 o 27.30856 5.586887  179.7893       72.72290 258.7192       
101.0405 94.95528       104.7513 32.79779 7.497998 21.81934 8.284520 10.97845 
11.17377 
1 1 1 7   35  11 o 41.13454 4.833817  401.5005       78.91665 490.7650       
108.6154 301.6839       114.8559 47.00544 5.503820 35.26365 7.948027 11.74179 
9.667635 
1 1 1 7   35  12 o 26.85514 5.812655  172.0563       73.47070 124.4673       
102.4268 222.4918       105.4455 23.54187 8.302238 30.16841 8.137609 -6.626547 
11.62531 
1 1 1 7   35  13 o 26.71115 5.606082  173.0962       70.57230 109.8097       
104.6317 225.9162       95.58881 22.74232 8.353564 30.67997 7.478677 -7.937656 
11.21216 
1 1 1 7   35  14 o 37.95174 4.672946  335.7819       70.60675 308.1583       
110.8663 354.6310       91.58096 35.89302 7.590905 40.01047 5.451960 -4.117455 
9.345892 
1 1 1 7   35  15 o 52.69023 3.658308  613.0822       80.60568 595.6246       
118.2355 628.2414       110.1778 51.86062 5.430395 53.51985 4.903435 -1.659229 
7.316616 
1 1 1 7   35  16 o 19.24521 5.443638  38.57785       71.23302 -32.21454      
100.1303 111.1174       101.3584 15.78273 7.123443 22.70769 8.233427 -6.924958 
10.88728 
1 1 1 7   35  17 o 60.49362 3.273710  801.7679       82.84722 733.7524       
117.9501 867.9991       116.3927 57.83436 4.857732 63.15288 4.389892 -5.318516 
6.547420 
1 1 1 7   35  18 o 12.01406 4.187049  -203.4150      74.53053 -184.9742      
110.0102 -219.0600      101.3284 12.68503 6.201970 11.34309 5.626819 1.341938 
8.374099 
1 1 1 7   35  19 o 77.37624 3.074956  1306.927       99.64894 1244.884       
143.5252 1364.669       138.4609 75.48036 4.529136 79.27213 4.160330 -3.791763 
6.149912 
1 1 1 7   35  20 o 22.89811 5.982286  108.4914       74.58457 141.8118       
120.4419 87.76591       94.98949 24.84685 8.978450 20.94937 7.908126 3.897482 
11.96457 
1 1 1 7   35  21 o 49.42495 4.188153  540.6966       85.77214 678.2850       
130.5797 436.2818       113.7538 55.00553 5.654452 43.84437 6.179781 11.16116 
8.376307 
1 1 1 7   35  22 o 57.62464 3.417143  738.8165       81.87450 670.8143       
120.3760 797.3566       111.6876 54.89971 5.222651 60.34956 4.408103 -5.449852 
6.834286 
1 1 1 7   35  23 o 40.81790 5.193299  405.6329       85.12849 337.9138       
127.0419 460.8181       114.6840 36.66093 8.425642 44.97487 6.073711 -8.313942 
10.38660 
1 1 1 7   35  24 o 86.05902 3.545290  1647.741       127.9570 1546.543       
178.0619 1755.802       184.0011 83.24924 5.094621 88.86880 4.931650 -5.619553 
7.090580 
1 1 1 7   35  25 o 49.67597 4.353415  567.4048       90.32677 643.7994       
130.4236 496.9866       125.2181 53.09826 5.850553 46.25369 6.448247 6.844570 
8.706829 
1 1 1 7   35  26 o 16.01670 5.248046  -62.45444      84.86140 -40.25117      
120.9153 -84.00648      119.1289 16.68787 7.632535 15.34553 7.205024 1.342344 
10.49609 
1 1 1 7   35  27 o 20.49072 6.031973  64.87346       86.69377 102.6045       
124.1300 28.94300       121.1320 22.10535 8.843529 18.87608 8.205535 3.229277 
12.06395 
1 1 1 7   35  28 o 44.85941 5.431858  486.5664       95.61794 871.3076       
150.6970 227.2859       123.7101 61.09225 5.875429 28.62656 9.137814 32.46569 
10.86372 
1 1 1 7   35  29 o 17.78842 5.591747  -4.964736      85.70107 80.28357       
128.8986 -72.50625      114.7336 20.65119 8.701921 14.92564 7.024750 5.725543 
11.18349 
1 1 1 7   35  30 o 24.68029 6.419723  169.1380       87.71787 225.5384       
133.4386 126.2194       116.4027 27.25742 9.489242 22.10315 8.649027 5.154276 
12.83945 
1 1 1 7   35  31 o 20.60272 6.110651  92.49571       88.91473 85.90086       
134.9503 97.55480       118.1973 20.57039 8.794599 20.63505 8.486179 
-0.6465912E-01 12.22130 
1 1 1 7   36  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   36  4  o 44.26860 4.646391  438.3806       86.35560 0.000000       
0.000000 438.3806       86.35560 ?        ?        44.26860 4.646391 ? ? 
1 1 1 7   36  5  o 22.49578 5.314766  121.8598       74.64778 -125.2693      
149.9995 203.2109       86.06161 16.42049 7.839851 28.57106 7.178001 -12.15057 
10.62953 
1 1 1 7   36  6  o 24.77157 6.006838  157.6257       77.54273 86.10465       
139.5513 189.5717       93.26639 22.13541 9.174295 27.40773 7.756334 -5.272324 
12.01368 
1 1 1 7   36  7  o 36.35279 5.704121  380.1971       85.99796 186.1969       
151.4621 472.4935       104.4708 26.97666 10.02682 45.72892 5.441582 -18.75227 
11.40824 
1 1 1 7   36  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   36  9  o 16.02721 5.016932  -11.75640      67.83752 -43.77670      
98.25542 17.41013       93.77481 15.03352 6.877718 17.02090 7.305848 -1.987387 
10.03386 
1 1 1 7   36  10 o 32.65068 5.360840  262.7094       72.49566 218.7569       
102.3554 306.9531       102.6941 29.56586 8.036547 35.73550 7.097066 -6.169645 
10.72168 
1 1 1 7   36  11 o 21.94640 5.813684  99.47741       72.40123 73.99574       
96.86300 131.7376       108.9877 20.08060 7.883010 23.81221 8.547153 -3.731609 
11.62737 
1 1 1 7   36  12 o 29.80599 5.899195  223.9392       80.27920 298.4371       
112.5236 146.7098       114.5679 34.79517 7.883883 24.81681 8.777609 9.978359 
11.79839 
1 1 1 7   36  13 o 42.01289 5.030493  420.1619       84.55574 307.0357       
117.8322 540.2578       121.4077 35.17002 8.135622 48.85577 5.919044 -13.68575 
10.06099 
1 1 1 7   36  14 o 32.30951 4.963336  246.9086       72.14376 92.45525       
98.68159 424.2366       105.7368 21.25884 8.049930 43.36017 5.808395 -22.10133 
9.926672 
1 1 1 7   36  15 f 20.34366 5.362404  52.28814       72.87727 -77.33532      
106.9380 164.6936       99.58271 14.78887 6.922461 25.89844 8.191523 -11.10957 
10.72481 
1 1 1 7   36  16 o 83.13594 2.937924  1504.228       102.1236 1534.533       
152.0129 1479.301       137.8697 83.77105 4.322228 82.50082 3.980445 1.270226 
5.875849 
1 1 1 7   36  17 o 62.01708 3.484449  853.1678       90.36880 830.0661       
132.5666 873.2225       123.5146 61.06877 5.170540 62.96539 4.672373 -1.896622 
6.968899 
1 1 1 7   36  18 o 29.54865 5.915732  220.1104       76.72325 212.0499       
109.7539 227.8136       107.2941 28.98124 8.483653 30.11606 8.246890 -1.134821 
11.83146 
1 1 1 7   36  19 o 63.43399 3.536309  894.3577       94.12593 885.1412       
134.8905 903.1042       131.4062 63.04819 5.096005 63.81978 4.904351 
-0.7715836     7.072618 
1 1 1 7   36  20 o 26.08932 5.445877  152.6379       73.02427 281.3512       
106.5762 38.73553       100.2570 33.75781 7.689165 18.42082 7.714080 15.33699 
10.89175 
1 1 1 7   36  21 o 21.08091 5.736919  57.54612       77.74267 175.9820       
118.6710 -31.49832      102.8979 26.38666 8.963737 15.77516 7.162430 10.61150 
11.47384 
1 1 1 7   36  22 o 18.30250 5.613121  7.249043       78.49374 71.83195       
126.7282 -32.94914      99.98104 21.13924 8.750876 15.46575 7.032115 5.673486 
11.22624 
1 1 1 7   36  23 o 28.60843 5.591197  175.7720       80.13593 377.4789       
125.9311 38.51091       103.8834 38.74454 8.013568 18.47232 7.799272 20.27222 
11.18239 
1 1 1 7   36  24 f 23.70261 6.233528  110.9195       89.88242 229.6164       
132.7042 10.31327       122.1736 29.06522 9.478928 18.34001 8.097989 10.72520 
12.46706 
1 1 1 7   36  25 o 50.96600 4.689948  613.4732       98.95001 753.4814       
145.4331 492.7978       135.0194 56.81247 6.097342 45.11953 7.127752 11.69294 
9.379895 
1 1 1 7   36  26 o 23.52810 6.564991  134.6076       95.52759 128.9914       
145.9908 138.8127       126.3257 23.47296 9.507356 23.58323 9.055751 
-0.1102772     13.12998 
1 1 1 7   36  27 o 39.39926 6.260850  428.1730       101.4923 498.3037       
146.0816 362.7338       141.1108 43.20222 8.352082 35.59630 9.329293 7.605923 
12.52170 
1 1 1 7   36  28 o 43.73423 5.400519  468.8629       93.17995 832.3613       
149.8732 239.8210       118.9680 58.75008 6.076263 28.71838 8.929808 30.03170 
10.80104 
1 1 1 7   36  29 o 16.74513 5.464807  -23.30332      90.03252 -30.07528      
128.4521 -16.76391      126.2275 16.62086 7.706651 16.86939 7.750095 
-0.2485256     10.92961 
1 1 1 7   37  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   37  4  o 23.93205 7.217521  150.8753       78.51871 0.000000       
0.000000 150.8753       78.51871 ?        ?        23.93205 7.217521 ? ? 
1 1 1 7   37  5  o 25.58420 7.508284  172.8559       85.86196 0.000000       
0.000000 172.8559       85.86196 ?        ?        25.58420 7.508284 ? ? 
1 1 1 7   37  6  o 38.50059 5.804393  343.1412       85.18413 553.6099       
160.4937 260.5967       100.5098 45.36437 8.738685 31.63680 7.641945 13.72757 
11.60879 
1 1 1 7   37  7  o 23.43061 6.233083  136.9500       80.18043 107.1908       
155.2978 147.7659       93.62419 22.88226 9.592453 23.97897 7.961793 -1.096712 
12.46617 
1 1 1 7   37  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   37  9  o 21.70296 6.038888  98.04094       85.08367 -8.725325      
152.8333 145.9915       102.4231 19.31360 8.754375 24.09232 8.320674 -4.778713 
12.07778 
1 1 1 7   37  10 o 16.08483 5.107675  -30.75444      73.13766 -81.70551      
98.54177 31.73596       109.1316 13.77434 6.490862 18.39532 7.888098 -4.620989 
10.21535 
1 1 1 7   37  11 o 31.01548 5.785165  248.3516       77.56120 297.9782       
109.4468 198.2849       109.9310 34.42773 7.757918 27.60323 8.584127 6.824493 
11.57033 
1 1 1 7   37  12 o 57.59020 3.684925  753.1672       88.04041 804.1981       
118.8680 691.1547       131.0352 60.12920 4.708697 55.05120 5.669468 5.078007 
7.369850 
1 1 1 7   37  13 o 16.68817 5.267850  -45.69858      81.61700 56.98886       
111.4496 -164.4612      119.8560 19.72287 8.188036 13.65346 6.630011 6.069411 
10.53570 
1 1 1 7   37  14 o 24.27775 6.119134  136.2485       79.38376 91.67609       
105.0700 195.5330       121.1760 21.15761 8.229858 27.39789 9.057850 -6.240273 
12.23827 
1 1 1 7   37  15 o 29.67486 5.703015  220.8383       76.73962 316.0020       
111.7711 135.9756       105.5485 35.62150 7.692319 23.72822 8.421741 11.89328 
11.40603 
1 1 1 7   37  16 o 20.22890 5.720566  74.48266       73.59560 67.04516       
103.4412 82.10671       104.7306 19.81412 8.012119 20.64368 8.167340 
-0.8295650     11.44113 
1 1 1 7   37  17 o 13.65772 4.620233  -124.3978      75.44962 -184.2104      
105.2043 -61.05396      108.2653 12.12098 5.965592 15.19447 7.056763 -3.073492 
9.240465 
1 1 1 7   37  18 o 20.43388 5.579572  80.45335       71.12444 125.1583       
95.12049 23.76352       107.1147 22.84480 8.006137 18.02295 7.773563 4.821852 
11.15914 
1 1 1 7   37  19 o 19.34633 5.681717  44.92506       74.69704 100.2339       
120.2741 10.19664       95.30532 22.03008 8.740890 16.66258 7.261162 5.367493 
11.36343 
1 1 1 7   37  20 o 32.69131 6.031700  280.7048       85.57053 353.1955       
121.9953 210.4982       120.0579 37.26148 8.027751 28.12114 9.004490 9.140339 
12.06340 
1 1 1 7   37  21 f 31.68406 6.040302  264.6526       82.00893 271.5910       
120.5917 258.6830       111.8566 31.92637 8.743188 31.44174 8.336525 0.4846249 
12.08060 
1 1 1 7   37  22 o 48.68426 4.066390  545.3323       82.90011 593.0351       
122.5107 505.0402       112.5931 50.62791 5.763751 46.74061 5.737707 3.887302 
8.132780 
1 1 1 7   37  23 o 39.36116 6.016785  410.4682       96.51981 422.8348       
136.9546 398.2645       136.0491 40.06508 8.410021 38.65724 8.606879 1.407845 
12.03357 
1 1 1 7   37  24 o 28.67422 6.797420  239.0052       96.37244 252.0329       
140.6831 227.4861       132.2865 29.25515 9.759733 28.09330 9.463998 1.161844 
13.59484 
1 1 1 7   37  25 o 25.14864 6.144393  148.0493       95.10996 -19.55534      
134.8653 313.8786       134.1491 17.48582 8.023891 32.81146 9.307602 -15.32564 
12.28879 
1 1 1 7   37  26 o 30.90676 6.721241  289.2591       96.18053 257.6971       
134.6913 322.0976       137.3884 29.05672 9.549634 32.75680 9.460697 -3.700075 
13.44248 
1 1 1 7   37  27 o 22.28662 6.419304  127.8781       94.80961 147.9084       
133.3631 107.4105       134.8107 23.14825 9.198029 21.42499 8.956903 1.723255 
12.83861 
1 1 1 7   38  6  o 31.35032 7.312709  315.8734       115.4910 438.2799       
172.9942 217.4532       155.1214 36.53806 10.63662 26.16258 10.03819 10.37548 
14.62542 
1 1 1 7   38  7  o 18.84481 5.801743  52.61869       81.75363 18.79437       
155.3994 65.56265       96.13204 19.18305 8.734259 18.50657 7.638953 0.6764889 
11.60349 
1 1 1 7   38  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 7   38  9  o 32.43471 6.580112  300.2761       90.62433 338.9963       
157.7063 281.1868       110.7327 32.80875 10.29740 32.06067 8.194816 0.7480774 
13.16022 
1 1 1 7   38  10 o 18.28516 5.476583  40.67910       75.54540 -17.82475      
110.6160 91.81995       103.4212 16.20475 7.375746 20.36556 8.097543 -4.160814 
10.95317 
1 1 1 7   38  11 o 27.84797 4.908197  176.4074       80.47574 -55.21345      
115.8191 392.6251       111.9017 15.50239 7.237875 40.19354 6.631346 -24.69115 
9.816394 
1 1 1 7   38  12 o 24.93646 5.705559  152.7250       78.17909 36.58194       
111.2196 266.1610       109.9158 18.33826 7.915476 31.53465 8.219419 -13.19639 
11.41112 
1 1 1 7   38  13 o 27.01402 5.949806  186.8097       82.58569 80.11787       
114.1661 303.9226       119.6117 20.40383 8.357080 33.62421 8.471128 -13.22039 
11.89961 
1 1 1 7   38  14 o 22.54443 6.242858  110.3486       87.47668 57.25954       
117.7388 175.7641       130.6944 19.57883 8.286572 25.51004 9.339478 -5.931213 
12.48572 
1 1 1 7   38  15 o 26.43497 6.384007  163.0411       87.82964 77.00047       
110.9716 307.3077       143.6955 20.18898 8.249236 32.68096 9.745374 -12.49198 
12.76801 
1 1 1 7   38  16 o 32.51701 5.923688  282.0388       81.29813 274.2686       
112.5096 290.5289       117.6054 32.10804 8.291173 32.92598 8.462668 
-0.8179398     11.84738 
1 1 1 7   38  17 o 39.18478 5.082426  383.9548       80.50208 386.4689       
113.5332 381.4127       114.1637 39.35963 7.132914 39.00994 7.241945 0.3496857 
10.16485 
1 1 1 7   38  18 o 64.27010 3.676611  961.9929       96.64675 1159.511       
134.3727 750.3058       139.1086 71.94958 4.448399 56.59060 5.855052 15.35898 
7.353223 
1 1 1 7   38  19 o 22.69177 5.280497  47.96208       78.16880 -136.3255      
103.6106 291.4455       119.0943 12.70306 6.167200 32.68048 8.573227 -19.97741 
10.56099 
1 1 1 7   38  20 o 35.09055 5.566332  330.3319       84.41415 204.0195       
119.7951 454.9070       118.9684 26.88022 9.006094 43.30087 6.544194 -16.42065 
11.13266 
1 1 1 7   38  21 o 18.94623 5.563982  17.64951       83.94091 -126.9358      
120.5323 153.8117       116.9687 14.04634 6.782939 23.84612 8.821754 -9.799778 
11.12796 
1 1 1 7   38  22 o 31.35818 6.528689  277.0065       94.81380 408.1775       
146.6703 182.8416       124.2704 37.47234 9.344334 25.24402 9.120227 12.22832 
13.05738 
1 1 1 7   38  23 o 36.11694 6.408382  378.2351       97.21379 358.1072       
139.6401 397.1646       135.4192 34.75074 9.360494 37.48313 8.755034 -2.732384 
12.81676 
1 1 1 7   38  24 o 35.81049 5.716344  356.2936       94.33684 577.3757       
137.6016 160.2243       129.5840 47.89230 6.843507 23.72867 9.158208 24.16363 
11.43269 
1 1 1 7   39  12 o 25.06501 6.092499  174.9740       82.42739 96.71409       
115.4294 256.4053       117.7450 20.53790 8.406121 29.59211 8.821073 -9.054213 
12.18500 
1 1 1 7   39  13 o 22.17496 6.155962  128.6218       84.21033 108.0043       
118.1038 149.9437       120.1042 21.13014 8.554199 23.21977 8.854894 -2.089634 
12.31192 
1 1 1 7   39  14 o 24.47001 6.416218  173.4667       87.75622 177.0274       
120.4030 169.4316       128.1731 24.71105 8.972297 24.22897 9.174383 0.4820843 
12.83244 
1 1 1 7   39  15 o 31.06713 6.459874  286.7142       89.31820 286.2466       
116.9635 287.3683       138.3405 31.67270 8.582743 30.46157 9.656936 1.211138 
12.91975 
1 1 1 7   39  16 o 18.50509 5.770213  16.31827       91.66499 -71.10848      
128.3105 107.4471       130.9990 15.60604 7.369423 21.40415 8.881048 -5.798114 
11.54043 
1 1 1 7   39  17 o 26.24865 5.985070  176.8206       86.03053 46.81684       
116.3458 333.6547       127.7888 18.51036 8.044098 33.98693 8.864352 -15.47657 
11.97014 
1 1 1 7   39  18 o 23.84954 5.634440  128.9594       82.08311 286.6803       
115.9696 -29.38044      116.1969 31.73869 8.521853 15.96039 7.373309 15.77829 
11.26888 
1 1 1 7   39  19 o 31.32151 5.751290  281.8212       82.50340 392.5224       
114.5446 162.4732       118.9340 38.75802 7.306840 23.88501 8.883660 14.87301 
11.50258 
1 1 1 7   39  20 o 14.87274 4.976810  -70.80516      82.33628 -52.86121      
117.8346 -87.92467      115.0958 15.38564 7.213356 14.35983 6.858720 1.025811 
9.953620 
1 1 1 8   -31 0  o 20.11807 6.180111  57.45359       96.99764 72.13173       
140.2716 44.00349       134.2755 20.71875 8.915523 19.51739 8.560873 1.201363 
12.36022 
1 1 1 8   -31 1  o 19.45105 5.999152  53.31092       92.21140 58.56068       
129.4687 47.90622       131.3653 19.60139 8.501427 19.30071 8.466701 0.3006763 
11.99830 
1 1 1 8   -31 2  o 21.94999 6.292241  120.3600       92.82740 160.1327       
121.5052 64.60269       143.8646 23.77015 8.951644 20.12984 8.845182 3.640316 
12.58448 
1 1 1 8   -30 0  o 19.25428 5.986533  -0.1630946     95.52833 -73.16062      
129.0032 88.46600       142.1460 16.27992 7.615577 22.22865 9.238901 -5.948725 
11.97307 
1 1 1 8   -30 1  o 48.58649 5.584994  612.2839       102.8321 672.8512       
129.4109 508.5269       169.3795 54.04317 5.703626 43.12981 9.604024 10.91336 
11.16999 
1 1 1 8   -30 2  o 49.69081 5.024253  539.1603       97.25074 437.6888       
114.4084 803.4218       184.6303 42.89991 6.352179 56.48172 7.786033 -13.58181 
10.04851 
1 1 1 8   -30 3  o 60.73134 4.503065  863.0099       111.0206 783.8828       
138.1249 1007.435       186.6078 57.71659 5.700230 63.74608 6.972644 -6.029484 
9.006130 
1 1 1 8   -30 4  o 21.46684 6.481408  84.12424       96.65135 44.95605       
116.8277 169.0721       172.0502 18.53460 8.057782 24.39909 10.15415 -5.864487 
12.96282 
1 1 1 8   -30 5  o 20.72737 6.343388  74.04586       94.25215 43.55344       
113.1361 143.2125       170.3938 18.20778 7.922792 23.24696 9.908767 -5.039179 
12.68678 
1 1 1 8   -29 0  o 30.49535 6.592988  248.8667       93.52394 280.3858       
116.1822 190.8463       157.6316 33.37809 8.312528 27.61261 10.23581 5.765484 
13.18598 
1 1 1 8   -29 1  o 35.94148 6.659111  331.3980       98.76593 300.5713       
123.4439 386.2344       164.6419 34.25562 8.591062 37.62734 10.17687 -3.371727 
13.31822 
1 1 1 8   -29 2  o 39.06918 6.023464  369.6128       90.38862 332.3805       
108.4635 454.2463       163.5290 36.90734 7.258524 41.23102 9.614692 -4.323681 
12.04693 
1 1 1 8   -29 3  o 25.94237 6.528593  132.2826       93.00170 35.57394       
115.8279 307.7601       156.0240 18.93553 8.123351 32.94921 10.22259 -14.01368 
13.05719 
1 1 1 8   -29 4  o 37.91201 7.279995  414.9265       116.4146 413.7328       
144.9707 417.0938       195.3430 39.26993 8.983767 36.55409 11.45798 2.715839 
14.55999 
1 1 1 8   -29 5  o 30.09169 6.911440  232.0800       93.20604 172.0398       
110.3718 381.3376       174.0224 25.22718 8.644622 34.95620 10.78622 -9.729015 
13.82288 
1 1 1 8   -29 6  o 24.91661 6.588176  180.8693       99.63494 235.1118       
122.7871 76.30269       170.4825 28.33402 9.109646 21.49921 9.520012 6.834803 
13.17635 
1 1 1 8   -29 7  o 23.86468 6.685700  146.4049       95.08269 100.4289       
116.2366 239.3879       165.3024 20.73227 8.452192 26.99710 10.36122 -6.264832 
13.37140 
1 1 1 8   -28 0  o 44.20402 5.063373  424.6999       90.25429 362.3766       
110.4772 549.7621       156.4987 39.91370 6.592830 48.49434 7.686713 -8.580635 
10.12675 
1 1 1 8   -28 1  o 78.67751 3.670319  1250.886       109.7860 1105.081       
127.4639 1669.899       216.0802 71.24781 4.261248 86.10719 5.977184 -14.85938 
7.340638 
1 1 1 8   -28 2  o 41.55269 6.195424  430.8498       103.4134 437.4146       
130.8025 419.9055       168.8869 43.27552 7.199374 39.82986 10.08475 3.445667 
12.39085 
1 1 1 8   -28 3  o 47.21933 5.329597  526.5090       99.39667 504.9481       
124.5523 564.3210       164.9421 46.91373 6.323723 47.52492 8.580729 
-0.6111832     10.65919 
1 1 1 8   -28 4  o 40.22916 6.774326  412.0250       106.8571 378.4235       
129.1029 485.1187       190.4129 38.83902 8.174863 41.61932 10.80452 -2.780300 
13.54865 
1 1 1 8   -28 5  o 48.97564 5.774346  665.6943       99.24703 780.3415       
120.5791 424.8786       174.7564 59.12389 4.857696 38.82739 10.47736 20.29650 
11.54869 
1 1 1 8   -28 6  o 29.49009 6.736103  238.7212       94.01300 229.6155       
122.2692 251.8902       147.0407 29.12361 9.052261 29.85657 9.977820 
-0.7329636     13.47221 
1 1 1 8   -28 7  f 42.59932 5.468217  462.9825       90.55828 469.1631       
112.8749 451.8179       151.7052 44.62563 6.024680 40.57301 9.127366 4.052628 
10.93643 
1 1 1 8   -28 8  o 24.39982 6.545928  162.9328       91.99519 130.9234       
122.6627 204.0839       139.0801 22.57017 8.867559 26.22947 9.631360 -3.659304 
13.09186 
1 1 1 8   -28 9  o 26.85156 6.836693  223.6124       98.53674 210.0210       
135.2429 238.9910       143.8599 26.20397 9.509670 27.49914 9.824849 -1.295174 
13.67339 
1 1 1 8   -27 0  o 27.11841 6.328198  164.2288       81.62576 133.0412       
102.8128 217.4047       134.2498 24.34962 8.343349 29.88720 9.516979 -5.537577 
12.65640 
1 1 1 8   -27 1  o 73.91852 3.657761  1232.131       108.3452 1338.264       
138.4204 1064.260       174.0860 78.69255 4.189743 69.14449 5.996908 9.548065 
7.315521 
1 1 1 8   -27 2  f 51.69108 4.284410  606.6440       90.26014 642.6945       
117.0995 553.8715       141.6781 54.05173 5.160198 49.33042 6.840835 4.721313 
8.568819 
1 1 1 8   -27 3  o 32.36786 6.547848  262.0496       89.43844 259.4967       
107.7192 267.7155       160.4771 32.64562 7.927357 32.09009 10.42374 0.5555344 
13.09570 
1 1 1 8   -27 4  o 41.61441 6.018484  408.1046       99.86909 325.0451       
126.4697 545.6987       162.7766 36.14832 8.472166 47.08051 8.550497 -10.93219 
12.03697 
1 1 1 8   -27 5  o 23.32317 6.209012  107.3639       88.09267 184.2091       
122.6450 25.46525       126.6134 27.12478 9.112591 19.52156 8.436112 7.603212 
12.41802 
1 1 1 8   -27 6  o 25.23646 6.378312  137.6783       84.59161 84.06978       
106.1621 230.9084       140.0009 20.94161 8.242634 29.53130 9.736038 -8.589689 
12.75662 
1 1 1 8   -27 7  o 28.06798 6.600600  198.8953       91.91523 141.1225       
121.3688 276.5919       140.7493 24.25521 8.983537 31.88075 9.673041 -7.625542 
13.20120 
1 1 1 8   -27 8  o 50.21478 4.493474  592.6928       94.35901 602.0367       
128.8445 581.8845       138.5736 50.90832 6.028346 49.52124 6.665153 1.387085 
8.986947 
1 1 1 8   -27 9  o 42.29028 6.062367  467.9186       105.7250 376.3900       
142.5446 579.8386       157.6255 36.75681 9.239964 47.82375 7.850621 -11.06694 
12.12473 
1 1 1 8   -27 10 o 17.84887 5.689856  2.600776       92.38248 -63.80499      
144.0338 49.01234       120.4133 16.77001 7.886375 18.92773 8.203837 -2.157719 
11.37971 
1 1 1 8   -27 11 o 25.52604 6.591733  139.9601       108.3731 380.4045       
164.5946 -44.05108      143.9894 34.01144 10.48902 17.04065 7.986503 16.97079 
13.18347 
1 1 1 8   -26 0  o 107.5050 3.484036  2510.681       156.0259 2597.554       
210.4118 2404.564       232.5539 109.8061 4.564200 105.2038 5.265178 4.602287 
6.968072 
1 1 1 8   -26 1  f 42.35155 4.984329  397.8912       84.29446 369.6978       
106.2045 445.8876       138.5715 40.91861 6.182202 43.78449 7.820134 -2.865879 
9.968657 
1 1 1 8   -26 2  f 42.77834 4.739829  404.9258       83.57921 386.3411       
107.4663 433.3738       132.9598 41.76666 6.128634 43.79001 7.232134 -2.023346 
9.479658 
1 1 1 8   -26 3  f 109.7625 4.242345  2654.742       182.7696 2620.719       
222.0357 2726.244       321.8804 109.7307 4.819653 109.7942 6.982903 
-0.6354523E-01 8.484691 
1 1 1 8   -26 4  o 91.60590 4.159972  1889.678       155.3908 1984.048       
201.0340 1749.610       244.9190 95.17380 5.031220 88.03800 6.626333 7.135796 
8.319943 
1 1 1 8   -26 5  o 32.76066 6.330671  268.5317       89.80106 246.1382       
128.8144 289.7052       125.2561 31.33523 9.196639 34.18610 8.702380 -2.850866 
12.66134 
1 1 1 8   -26 6  o 16.07156 5.201349  -60.44789      79.58401 -109.3185      
108.7713 -4.145412      116.7493 14.17765 6.736948 17.96547 7.926516 -3.787816 
10.40270 
1 1 1 8   -26 7  o 26.69240 6.330345  171.4321       85.83255 115.8457       
118.4081 232.9836       124.5996 23.22765 8.811303 30.15714 9.091426 -6.929489 
12.66069 
1 1 1 8   -26 8  o 47.39306 5.261238  559.0389       96.82516 682.6064       
130.3416 406.8872       144.6338 54.94244 5.650623 39.84369 8.876540 15.09875 
10.52248 
1 1 1 8   -26 9  o 29.46141 6.719335  234.2788       94.59251 246.7518       
122.2017 215.6330       149.4112 30.58770 8.951158 28.33512 10.02370 2.252579 
13.43867 
1 1 1 8   -26 10 o 31.77963 6.905356  288.9990       103.1570 326.5434       
135.2139 236.7154       159.5630 34.69056 9.150951 28.86869 10.34388 5.821871 
13.81071 
1 1 1 8   -26 11 o 45.74256 6.378993  561.0054       119.8107 358.3719       
160.2391 817.9157       180.4278 34.46032 10.29416 57.02480 7.536346 -22.56448 
12.75799 
1 1 1 8   -26 12 o 25.48166 6.844113  174.2576       106.2076 72.62016       
141.9729 303.4193       160.0463 20.45948 8.888471 30.50384 10.40974 -10.04436 
13.68823 
1 1 1 8   -25 0  o 68.93376 3.633386  1024.888       103.3129 1031.282       
134.5003 1015.686       161.3505 69.36461 4.618556 68.50292 5.610250 0.8616867 
7.266772 
1 1 1 8   -25 1  f 61.13579 3.997336  802.8442       100.9844 764.9973       
130.4465 859.4494       159.5308 59.50537 5.221524 62.76621 6.053962 -3.260838 
7.994671 
1 1 1 8   -25 2  o 162.0727 5.348526  5905.432       359.1076 6049.458       
475.5330 5714.295       547.8123 165.2910 6.852556 158.8545 8.213974 6.436462 
10.69705 
1 1 1 8   -25 3  o 109.2767 4.219239  2634.296       190.8485 2718.844       
252.5839 2521.804       291.3489 111.7713 5.382655 106.7821 6.498842 4.989174 
8.438478 
1 1 1 8   -25 4  o 70.98693 3.953279  1103.240       113.1801 1102.167       
141.8673 1105.121       187.7146 71.35689 4.735518 70.61697 6.331550 0.7399139 
7.906558 
1 1 1 8   -25 5  o 26.75336 6.298906  168.7291       85.44192 209.6889       
108.8452 102.9667       137.9176 29.56642 8.382942 23.94029 9.403784 5.626131 
12.59781 
1 1 1 8   -25 6  o 59.34648 4.263856  791.7061       104.0948 829.4188       
136.6927 739.6441       160.6062 61.43216 5.299937 57.26080 6.680760 4.171352 
8.527713 
1 1 1 8   -25 7  o 77.99207 3.966523  1297.105       120.0919 1214.387       
142.8667 1496.304       221.7038 74.64767 4.558646 81.33646 6.492455 -6.688797 
7.933046 
1 1 1 8   -25 8  o 31.05912 6.471669  253.7896       95.95538 323.9431       
123.4943 146.9073       152.4317 36.26901 8.287857 25.84923 9.941902 10.41978 
12.94334 
1 1 1 8   -25 9  o 52.35929 5.068894  641.6327       105.1299 644.2488       
129.8197 636.6483       179.1930 53.44945 5.785199 51.26913 8.325035 2.180325 
10.13779 
1 1 1 8   -25 10 f 27.06580 6.091161  180.0499       97.01014 309.8831       
122.6761 -36.65069      158.4882 34.89735 8.450902 19.23425 8.774464 15.66310 
12.18232 
1 1 1 8   -25 11 o 46.82981 6.319140  567.3846       119.6220 527.8776       
165.9010 610.1677       172.6423 44.92600 9.113326 48.73362 8.756335 -3.807621 
12.63828 
1 1 1 8   -25 12 o 23.43243 6.663101  124.4456       98.56249 121.6817       
125.5970 128.8762       159.0204 22.90807 8.980002 23.95679 9.846177 -1.048716 
13.32620 
1 1 1 8   -25 13 o 24.45662 6.209055  50.97585       96.94657 -125.6163      
120.4753 375.4167       163.2977 14.09700 6.800963 34.81623 10.39021 -20.71923 
12.41811 
1 1 1 8   -25 14 o 17.93325 5.820817  -5.542180      95.71437 -19.59382      
118.4041 20.95493       162.5932 16.37708 7.516438 19.48942 8.889929 -3.112337 
11.64163 
1 1 1 8   -24 0  o 132.1595 4.387034  3750.603       210.9572 3727.318       
243.7398 3820.122       421.1512 132.2863 4.388666 132.0327 7.597623 0.2536621 
8.774068 
1 1 1 8   -24 1  o 50.63940 4.618299  573.1676       93.70370 622.4688       
119.5980 494.7935       150.7931 53.83683 5.291337 47.44196 7.570767 6.394867 
9.236599 
1 1 1 8   -24 2  o 78.11710 3.404985  1267.906       109.4422 1118.781       
138.9100 1511.972       177.7096 72.32406 4.574797 83.91013 5.044494 -11.58607 
6.809969 
1 1 1 8   -24 3  o 59.59502 3.958427  783.7446       96.73454 867.2003       
128.7119 675.4186       146.6416 63.54419 4.824629 55.64586 6.276905 7.898331 
7.916854 
1 1 1 8   -24 4  o 38.02188 5.419569  321.2754       84.72877 244.5922       
112.2485 422.8303       129.1758 32.33954 8.241597 43.70423 7.040097 -11.36469 
10.83914 
1 1 1 8   -24 5  o 77.45840 3.660788  1319.074       115.9286 1396.588       
150.8158 1207.130       181.2412 80.59672 4.457083 74.32008 5.808604 6.276642 
7.321575 
1 1 1 8   -24 6  o 65.31413 3.595953  919.0524       98.18732 837.0943       
131.8497 1021.090       147.1171 62.08414 5.058475 68.54414 5.112272 -6.459999 
7.191905 
1 1 1 8   -24 7  o 70.67813 3.855100  1095.005       113.7521 950.7480       
158.1406 1249.669       163.7453 65.69566 5.733605 75.66061 5.154897 -9.964958 
7.710201 
1 1 1 8   -24 8  o 99.43654 4.766191  2176.275       178.6353 2104.908       
209.6974 2365.073       341.0697 98.03963 5.094627 100.8335 8.056743 -2.793831 
9.532383 
1 1 1 8   -24 9  o 37.27376 6.284019  336.7088       93.35403 317.2026       
115.1133 374.1852       159.5576 36.33639 7.772063 38.21112 9.876770 -1.874737 
12.56804 
1 1 1 8   -24 10 o 21.76636 6.248651  71.14716       93.32225 127.4483       
116.2237 -31.02814      156.5701 23.94583 8.803323 19.58689 8.870402 4.358944 
12.49730 
1 1 1 8   -24 11 f 77.53106 4.500145  1276.356       135.3552 1126.079       
159.6316 1660.819       255.3292 70.96615 5.357827 84.09597 7.231799 -13.12982 
9.000291 
1 1 1 8   -24 12 o 26.70779 6.694590  180.0934       101.3149 253.2358       
131.6317 73.78297       158.6952 30.88191 9.351397 22.53367 9.582354 8.348240 
13.38918 
1 1 1 8   -24 13 o 55.50478 4.911354  715.2693       109.6390 666.6802       
135.2913 808.2305       187.1334 53.67889 6.003262 57.33067 7.774730 -3.651775 
9.822707 
1 1 1 8   -24 14 o 20.98821 6.109623  81.36025       91.35150 134.3229       
110.8504 -30.73961      161.2706 23.13181 8.581842 18.84461 8.698389 4.287201 
12.21925 
1 1 1 8   -24 15 o 48.85619 5.765445  651.7671       106.3374 698.3353       
132.5386 567.6336       178.1482 54.08968 5.836453 43.62271 9.944710 10.46697 
11.53089 
1 1 1 8   -23 0  o 111.7210 3.874445  2710.119       169.7167 2793.053       
207.9343 2544.609       293.7470 114.7015 4.317955 108.7405 6.434327 5.960960 
7.748890 
1 1 1 8   -23 1  o 39.93713 5.595552  365.1128       90.10767 412.6398       
118.3452 299.5542       138.9938 43.75179 6.442816 36.12246 9.150461 7.629326 
11.19110 
1 1 1 8   -23 2  o 81.76234 3.569670  1413.710       119.6060 1363.362       
152.1675 1495.101       193.4724 80.01696 4.529613 83.50774 5.518404 -3.490776 
7.139339 
1 1 1 8   -23 3  o 59.75564 3.851583  756.7247       96.00227 666.4756       
127.7876 873.6584       145.4577 55.71412 5.463167 63.79716 5.430708 -8.083042 
7.703167 
1 1 1 8   -23 4  o 45.35326 5.277299  510.2713       89.67858 725.0776       
120.6857 245.4265       134.0071 58.17153 4.941586 32.53498 9.326322 25.63655 
10.55460 
1 1 1 8   -23 5  o 81.40310 3.456737  1425.584       117.7257 1465.412       
161.3795 1380.280       172.1173 82.70785 4.647535 80.09835 5.118256 2.609497 
6.913474 
1 1 1 8   -23 6  o 87.26962 3.577564  1646.820       130.3160 1688.119       
176.5071 1597.334       193.2132 88.61588 4.744294 85.92335 5.356074 2.692535 
7.155128 
1 1 1 8   -23 7  o 62.30372 3.974440  828.7018       102.9042 715.6074       
134.7704 986.8245       159.3570 57.31707 5.600561 67.29037 5.640781 -9.973301 
7.948880 
1 1 1 8   -23 8  o 75.90907 3.589862  1248.650       113.8132 1223.133       
152.7339 1280.510       170.6674 75.15499 4.840594 76.66315 5.302554 -1.508156 
7.179723 
1 1 1 8   -23 9  f 30.95073 5.560133  173.6359       87.47784 -4.184112      
111.7766 454.6873       140.5249 17.90415 7.832307 43.99730 7.894003 -26.09315 
11.12027 
1 1 1 8   -23 10 o 43.28587 6.103610  464.9601       98.04557 487.2923       
116.3807 410.3558       181.9818 46.80566 5.922482 39.76609 10.67429 7.039566 
12.20722 
1 1 1 8   -23 11 o 101.5976 4.154340  2325.751       172.6643 2395.374       
223.2155 2222.032       272.4455 104.2771 5.098667 98.91814 6.560316 5.358925 
8.308680 
1 1 1 8   -23 12 o 24.06976 6.444930  112.2305       97.52299 200.6569       
130.4727 0.2820678      146.8039 28.23673 9.398891 19.90278 8.820959 8.333944 
12.88986 
1 1 1 8   -23 13 o 40.09306 5.735692  393.5012       91.38902 389.2417       
114.4064 401.0114       151.9142 40.96945 6.651372 39.21667 9.346222 1.752777 
11.47138 
1 1 1 8   -23 14 o 24.60642 6.351657  122.5967       87.00977 49.90931       
110.3271 242.1905       141.5164 19.34867 8.096765 29.86416 9.788594 -10.51549 
12.70331 
1 1 1 8   -23 15 o 28.83701 6.707297  234.1864       94.03976 252.0176       
115.2982 198.7520       162.5341 30.72313 8.601230 26.95088 10.29418 3.772253 
13.41459 
1 1 1 8   -23 16 o 35.94450 6.697330  379.6159       100.6104 390.0300       
124.2850 359.8167       171.3682 38.39693 7.975638 33.49206 10.76132 4.904877 
13.39466 
1 1 1 8   -23 17 o 20.40969 6.393634  61.48794       106.3992 36.24074       
136.9700 99.90425       168.9573 18.94652 8.448874 21.87286 9.598476 -2.926342 
12.78727 
1 1 1 8   -22 0  o 147.2935 3.854831  4589.136       223.4400 4530.830       
271.4871 4711.547       393.3741 146.2150 4.422608 148.3721 6.315017 -2.157150 
7.709663 
1 1 1 8   -22 1  o 38.69096 5.313527  333.4612       83.77531 363.6628       
112.7898 296.2957       125.1196 41.16259 6.526618 36.21933 8.386748 4.943260 
10.62705 
1 1 1 8   -22 2  o 20.58175 6.270833  -4.928751      99.20201 -79.36372      
160.1748 41.38932       126.3517 19.71069 8.945818 21.45280 8.790092 -1.742117 
12.54167 
1 1 1 8   -22 3  o 82.12888 3.495178  1432.777       117.5764 1417.781       
150.2765 1456.445       188.7940 81.70579 4.380860 82.55198 5.447305 
-0.8461914     6.990355 
1 1 1 8   -22 4  o 63.87014 3.872344  862.8638       101.1436 828.5806       
128.1098 919.5949       164.7983 62.33176 4.895465 65.40852 6.001219 -3.076756 
7.744689 
1 1 1 8   -22 5  o 105.7948 3.297929  2391.002       146.2037 2474.357       
203.0414 2301.243       210.6976 107.7747 4.487337 103.8148 4.834165 3.959961 
6.595858 
1 1 1 8   -22 6  o 120.5049 4.139770  3156.331       199.8447 3211.695       
249.4957 3057.223       333.8134 122.5090 4.850831 118.5007 6.709712 4.008331 
8.279540 
1 1 1 8   -22 7  f 77.38631 3.581422  1288.246       115.9477 1298.925       
157.9238 1275.757       170.7792 77.81540 4.833960 76.95723 5.285751 0.8581696 
7.162844 
1 1 1 8   -22 8  o 71.67967 3.551623  1086.516       105.5444 980.5645       
136.7197 1242.785       166.0413 67.51088 4.823680 75.84847 5.214231 -8.337593 
7.103245 
1 1 1 8   -22 9  o 29.04694 6.232801  200.7036       86.95061 261.0812       
113.8893 116.3324       134.6301 33.30968 8.190306 24.78419 9.397347 8.525490 
12.46560 
1 1 1 8   -22 10 o 37.59921 5.540143  336.0036       86.33474 444.5514       
120.6043 221.9154       123.6439 44.76208 6.417615 30.43633 9.032551 14.32576 
11.08029 
1 1 1 8   -22 11 o 47.75493 5.233286  536.0332       98.64752 582.2568       
128.4352 469.5341       154.0494 51.25403 5.968664 44.25583 8.597918 6.998203 
10.46657 
1 1 1 8   -22 12 o 24.19111 6.473160  107.8717       99.02015 194.3356       
128.3212 -19.39684      155.6831 28.28002 9.321076 20.10221 8.984695 8.177811 
12.94632 
1 1 1 8   -22 13 o 43.51223 5.724218  471.7778       91.36088 496.9925       
108.8952 411.8404       167.8926 47.26037 5.488235 39.76410 10.04719 7.496269 
11.44844 
1 1 1 8   -22 14 o 46.42339 5.524374  523.4451       93.50584 530.9999       
111.0481 505.0372       173.3416 48.71596 5.429515 44.13082 9.622640 4.585136 
11.04875 
1 1 1 8   -22 15 o 16.47781 5.476209  -71.15704      87.07420 -62.92767      
102.3376 -92.73889      165.7280 14.72741 6.847933 18.22821 8.547588 -3.500800 
10.95242 
1 1 1 8   -22 16 o 21.01452 6.649596  21.30857       120.4478 3.936852       
177.9991 35.98156       163.5896 20.86279 9.452589 21.16625 9.355056 
-0.3034592     13.29919 
1 1 1 8   -22 17 o 39.39176 8.506029  500.3723       147.2871 594.8635       
259.0423 455.2309       179.0450 40.08391 13.24348 38.69962 10.67803 1.384296 
17.01206 
1 1 1 8   -22 18 o 20.86272 6.858297  21.33863       140.6228 24.73038       
241.3700 19.59584       173.0195 21.84106 10.25498 19.88437 9.109356 1.956690 
13.71659 
1 1 1 8   -21 0  o 23.02956 6.082948  71.31255       77.19011 33.01006       
95.06163 145.4479       132.2526 18.89856 7.664734 27.16056 9.447797 -8.261999 
12.16590 
1 1 1 8   -21 1  o 67.52345 3.636635  944.7260       100.2550 876.3631       
125.8864 1063.270       165.7708 64.32699 4.661297 70.71990 5.583257 -6.392914 
7.273270 
1 1 1 8   -21 2  o 36.64133 5.438205  268.3910       82.60667 153.7970       
103.8764 465.5377       136.2483 26.69454 8.353002 46.58813 6.965892 -19.89360 
10.87641 
1 1 1 8   -21 3  o 130.7803 4.467910  3695.944       217.7048 3739.144       
255.8184 3582.494       414.5618 132.7758 4.589170 128.7848 7.667358 3.990967 
8.935820 
1 1 1 8   -21 4  o 33.52969 5.704374  259.9903       85.23562 360.5383       
113.9432 132.2358       128.4369 40.96000 6.625969 26.09938 9.287415 14.86062 
11.40875 
1 1 1 8   -21 5  o 68.89554 3.946387  997.1676       109.8517 952.8618       
136.4876 1078.652       185.0970 66.91051 4.858699 70.88056 6.220043 -3.970055 
7.892775 
1 1 1 8   -21 6  o 63.26575 3.993077  839.0005       103.8518 772.0203       
131.9613 947.9818       168.3254 60.11250 5.228813 66.41901 6.036404 -6.306511 
7.986154 
1 1 1 8   -21 7  o 47.73777 5.566894  529.0187       103.8862 402.2736       
159.3810 622.6453       136.9841 41.72972 9.333085 53.74583 6.070810 -12.01611 
11.13379 
1 1 1 8   -21 8  o 48.83961 4.228212  517.6765       86.20000 541.2306       
117.6280 490.3553       126.6857 50.13336 5.588626 47.54586 6.346525 2.587505 
8.456425 
1 1 1 8   -21 9  o 23.84792 6.162529  77.38965       86.55095 -14.28819      
114.3360 200.4296       132.4566 18.04349 7.907139 29.65235 9.454322 -11.60886 
12.32506 
1 1 1 8   -21 10 o 50.41881 4.401537  555.7530       93.00151 545.6384       
127.2967 567.3323       136.2025 49.97918 6.066654 50.85844 6.378859 
-0.8792686     8.803075 
1 1 1 8   -21 11 o 39.93547 6.248264  402.5388       107.6515 201.9218       
162.9027 558.0681       143.4334 29.76199 10.47274 50.10896 6.817985 -20.34697 
12.49653 
1 1 1 8   -21 12 o 26.50480 5.670932  140.4139       83.81806 292.0691       
116.4717 -22.49395      120.7154 35.07443 8.071924 17.93517 7.967554 17.13926 
11.34186 
1 1 1 8   -21 13 o 44.25636 5.696720  445.2268       97.08186 415.4742       
117.4169 509.5149       172.5971 43.01016 6.502506 45.50256 9.355635 -2.492393 
11.39344 
1 1 1 8   -21 14 o 21.46375 6.666659  14.17036       115.7338 5.267338       
164.4335 22.91044       162.9218 21.23192 9.382252 21.69557 9.473686 
-0.4636555     13.33332 
1 1 1 8   -21 15 o 33.77594 7.397707  306.0411       116.8724 348.8840       
163.7458 261.5514       166.8633 36.15366 10.29204 31.39823 10.62912 4.755430 
14.79541 
1 1 1 8   -21 16 o 42.77005 7.787747  509.6732       140.0612 533.8961       
211.1513 490.6412       187.1638 43.23952 11.44892 42.30058 10.56022 0.9389458 
15.57549 
1 1 1 8   -21 17 o 41.24277 7.634387  499.4211       138.2339 372.7290       
204.0833 606.8196       187.9021 34.91739 11.75494 47.56815 9.744576 -12.65076 
15.26877 
1 1 1 8   -21 18 o 20.91818 6.734926  13.83868       128.0827 -128.8407      
243.2038 68.60055       150.6707 20.46299 9.820633 21.37337 9.219114 
-0.9103775     13.46985 
1 1 1 8   -21 19 o 26.66025 7.783215  209.3222       138.5323 338.2010       
224.1471 129.6675       176.2172 30.09910 11.93572 23.22141 9.992613 6.877691 
15.56643 
1 1 1 8   -20 0  o 49.78963 4.012291  496.9269       81.13647 419.1118       
100.3635 643.7206       137.8471 44.49260 5.372904 55.08667 5.960355 -10.59407 
8.024583 
1 1 1 8   -20 1  o 84.23892 3.642197  1534.425       122.1074 1613.088       
152.6304 1394.560       203.5214 87.42406 4.158446 81.05379 5.980780 6.370262 
7.284394 
1 1 1 8   -20 2  o 235.6292 7.834068  12178.83       732.3663 12257.60       
902.7215 12027.15       1252.662 238.3481 9.021175 232.9103 12.81050 5.437805 
15.66814 
1 1 1 8   -20 3  o 97.20050 3.669508  2036.594       146.1759 2186.512       
191.6649 1828.151       226.0005 101.6707 4.490222 92.73027 5.805089 8.940468 
7.339015 
1 1 1 8   -20 4  o 169.4160 5.637440  6166.340       366.6847 6135.991       
437.7080 6237.769       671.4949 169.6190 6.146544 169.2130 9.452139 0.4060211 
11.27488 
1 1 1 8   -20 5  o 79.73600 3.523835  1326.645       112.7021 1273.108       
138.8307 1430.115       193.0022 77.54276 4.264472 81.92924 5.611055 -4.386475 
7.047671 
1 1 1 8   -20 6  o 121.8571 4.177995  3160.694       205.8860 3122.678       
257.9630 3227.406       341.7220 121.1433 5.071996 122.5709 6.640589 -1.427574 
8.355990 
1 1 1 8   -20 7  o 81.68311 3.785122  1385.809       125.4853 1283.943       
156.0934 1571.922       210.9885 77.68897 4.785709 85.67723 5.865627 -7.988258 
7.570244 
1 1 1 8   -20 8  o 123.1922 4.602317  3275.466       229.0951 3279.891       
287.8232 3267.815       378.4492 123.7635 5.539293 122.6210 7.351293 1.142456 
9.204634 
1 1 1 8   -20 9  o 65.52334 4.184362  953.9454       110.2467 1055.018       
142.2182 801.7504       174.5175 70.29084 4.819228 60.75584 6.841827 9.535000 
8.368725 
1 1 1 8   -20 10 o 97.35547 3.706029  2025.039       150.7024 1929.474       
201.3981 2146.631       227.1730 94.83712 5.058225 99.87382 5.417839 -5.036697 
7.412058 
1 1 1 8   -20 11 f 47.44462 4.626695  493.6454       91.78632 504.5576       
125.2728 480.9975       134.8686 48.11059 6.202078 46.77864 6.867274 1.331944 
9.253390 
1 1 1 8   -20 12 o 39.40504 6.754449  372.5645       110.2376 379.6584       
164.8959 366.8320       148.2314 39.57420 9.931878 39.23587 9.156862 0.3383255 
13.50890 
1 1 1 8   -20 13 o 39.94278 6.679964  360.3300       106.0122 495.2719       
184.4092 293.7214       129.5611 44.92068 10.03389 34.96488 8.820930 9.955799 
13.35993 
1 1 1 8   -20 14 o 24.63672 6.951259  67.81689       120.7523 -94.62892      
177.3369 208.2452       164.8816 19.62458 9.082403 29.64887 10.52568 -10.02429 
13.90252 
1 1 1 8   -20 15 o 44.19807 6.743362  513.5969       127.3201 714.5876       
173.2157 277.3846       187.7805 55.68612 7.409031 32.71003 11.26934 22.97609 
13.48672 
1 1 1 8   -20 16 o 57.63263 6.469327  829.0540       146.6143 1100.050       
210.3284 572.9114       204.4832 68.78132 7.283638 46.48394 10.69380 22.29738 
12.93865 
1 1 1 8   -20 17 o 57.99245 6.252252  804.1445       146.1170 1049.011       
234.9389 649.6823       186.5956 65.39074 8.557753 50.59415 9.117429 14.79659 
12.50450 
1 1 1 8   -20 18 f 46.85447 7.873074  609.4484       141.9433 670.5090       
266.3069 585.2174       167.7597 45.77281 13.15594 47.93613 8.652308 -2.163319 
15.74615 
1 1 1 8   -20 19 o 29.86701 7.972723  255.8662       131.0840 336.1121       
224.1833 214.1772       161.5855 32.08452 12.13790 27.64950 10.34063 4.435019 
15.94545 
1 1 1 8   -20 20 o 31.34291 7.566605  213.4254       118.0629 629.7040       
232.1518 68.20303       137.1187 42.33464 12.32105 20.35119 8.786674 21.98345 
15.13321 
1 1 1 8   -20 21 o 23.75096 6.903244  158.3338       102.4054 70.71611       
266.7634 173.4771       110.9025 22.92638 10.76753 24.57554 8.641732 -1.649157 
13.80649 
1 1 1 8   -19 0  o 80.94862 3.499974  1414.274       114.1429 1503.084       
145.2403 1270.827       184.5878 84.42722 4.097565 77.47004 5.675317 6.957176 
6.999948 
1 1 1 8   -19 1  o 33.34089 5.953526  255.5832       82.82393 291.0803       
104.5504 195.7686       135.7163 36.38774 7.096910 30.29404 9.560949 6.093700 
11.90705 
1 1 1 8   -19 2  o 154.1145 4.417355  4994.506       281.4523 4788.463       
364.1961 5300.023       443.4805 150.3279 5.770545 157.9010 6.689760 -7.573166 
8.834709 
1 1 1 8   -19 3  o 90.71454 3.777647  1731.349       137.0058 1707.260       
169.0916 1777.386       233.7624 89.91512 4.479302 91.51396 6.084269 -1.598839 
7.555295 
1 1 1 8   -19 4  o 182.5090 5.851640  7168.754       413.5929 7205.311       
498.1097 7087.601       742.1638 184.0371 6.446748 180.9808 9.767610 3.056259 
11.70328 
1 1 1 8   -19 5  o 64.84875 3.626375  896.7470       97.77289 937.7456       
131.3723 845.8417       146.3865 66.56979 4.700540 63.12771 5.523343 3.442081 
7.252750 
1 1 1 8   -19 6  o 70.41206 3.592980  1053.770       105.9743 1088.432       
146.6286 1015.864       153.3369 71.65625 4.874000 69.16788 5.280355 2.488365 
7.185961 
1 1 1 8   -19 7  f 212.2397 6.894241  9922.785       608.6559 10249.81       
816.8718 9514.616       912.6012 216.8876 8.970987 207.5919 10.47109 9.295700 
13.78848 
1 1 1 8   -19 8  o 61.92031 3.988117  788.5969       101.7619 644.0948       
130.3818 1013.823       162.7757 54.92536 5.654121 68.91526 5.625943 -13.98990 
7.976235 
1 1 1 8   -19 9  o 93.22383 4.032044  1838.124       153.4026 1770.859       
193.7608 1951.103       251.1111 91.15286 5.063103 95.29479 6.276505 -4.141930 
8.064088 
1 1 1 8   -19 10 o 41.10280 5.463050  378.9796       90.36024 373.8072       
121.1493 385.4648       135.6548 40.89681 7.320589 41.30878 8.111021 
-0.4119720     10.92610 
1 1 1 8   -19 11 o 68.98364 4.585169  1053.640       129.1806 911.2893       
198.4279 1158.352       170.1849 64.55131 7.321813 73.41599 5.521427 -8.864677 
9.170339 
1 1 1 8   -19 12 o 78.20454 4.617728  1303.140       144.3826 1436.952       
249.7165 1235.942       176.9601 80.74843 7.366043 75.66067 5.570913 5.087761 
9.235456 
1 1 1 8   -19 13 o 22.68165 6.593994  56.95349       101.6646 12.09512       
155.6420 90.33613       134.2658 21.71884 9.369069 23.64446 9.281356 -1.925627 
13.18799 
1 1 1 8   -19 14 o 74.22725 4.486691  1218.940       139.2713 1110.740       
198.2485 1324.370       195.6949 70.77533 6.671893 77.67916 6.000619 -6.903831 
8.973382 
1 1 1 8   -19 15 o 34.71699 6.624880  307.7062       101.9082 209.0709       
161.5658 372.8762       131.3280 29.77036 10.43414 39.66361 8.166076 -9.893248 
13.24976 
1 1 1 8   -19 16 o 53.88100 5.875576  681.5120       132.7457 713.7385       
187.2070 648.9221       188.2591 55.33135 8.058827 52.43064 8.552476 2.900711 
11.75115 
1 1 1 8   -19 17 o 22.85773 6.882779  51.95633       119.7490 -67.72948      
199.5388 119.3249       149.7044 21.07356 9.707540 24.64189 9.759829 -3.568325 
13.76556 
1 1 1 8   -19 18 o 30.60076 7.331544  258.0250       115.0208 143.2682       
222.4158 299.9193       134.3860 27.12503 11.43033 34.07650 9.184430 -6.951473 
14.66309 
1 1 1 8   -19 19 o 48.27881 7.278289  620.2372       138.8905 655.8382       
238.1050 601.8763       170.9959 47.11039 12.00197 49.44723 8.236917 -2.336838 
14.55658 
1 1 1 8   -19 20 o 46.79294 7.066944  670.7152       133.6763 418.2910       
228.1954 802.5911       164.9393 35.56343 12.40650 58.02245 6.770942 -22.45902 
14.13389 
1 1 1 8   -19 21 o 43.66666 7.102041  510.0828       105.0477 655.3292       
246.8828 477.9729       116.0800 42.68839 12.78287 44.64492 6.193075 -1.956535 
14.20408 
1 1 1 8   -19 22 o 28.49841 6.646662  270.4450       96.43877 137.8867       
234.1758 297.5181       105.8296 23.81980 10.81233 33.17703 7.733427 -9.357231 
13.29332 
1 1 1 8   -18 0  o 43.20791 4.506502  365.6306       76.45831 277.4483       
93.14927 547.7281       133.8569 35.60900 6.469456 50.80682 6.275378 -15.19781 
9.013003 
1 1 1 8   -18 1  o 168.7411 4.942079  6122.488       321.9088 6230.308       
387.7852 5883.508       577.3290 171.6056 5.382462 165.8765 8.290094 5.729034 
9.884157 
1 1 1 8   -18 2  o 155.6670 4.607637  5075.346       277.7633 4967.562       
332.1440 5326.072       506.5784 153.2833 5.161225 158.0508 7.634333 -4.767517 
9.215275 
1 1 1 8   -18 3  o 144.9786 4.497281  4397.557       259.0779 4270.443       
316.5666 4655.376       450.8448 142.0896 5.306692 147.8677 7.262311 -5.778122 
8.994561 
1 1 1 8   -18 4  o 122.0458 3.857499  3182.418       193.3980 3311.730       
251.9544 2996.951       301.7415 125.2062 4.793108 118.8854 6.045438 6.320808 
7.714999 
1 1 1 8   -18 5  o 43.82209 5.117325  429.6199       88.77341 539.8268       
122.4658 307.5893       128.8679 50.46632 5.780086 37.17786 8.446223 13.28846 
10.23465 
1 1 1 8   -18 6  o 73.55641 3.753580  1158.659       114.0306 1230.715       
151.3252 1063.984       173.4585 76.29987 4.723985 70.81295 5.834504 5.486923 
7.507161 
1 1 1 8   -18 7  o 108.6559 3.671179  2477.061       166.5842 2772.496       
251.6229 2246.534       222.2695 114.3548 5.241033 102.9569 5.142158 11.39785 
7.342358 
1 1 1 8   -18 8  o 122.9408 4.289720  3177.075       215.6511 3033.784       
272.7820 3415.882       352.1515 119.4793 5.438063 126.4024 6.635830 -6.923103 
8.579439 
1 1 1 8   -18 9  o 158.7713 5.408045  5441.580       321.5414 5441.977       
378.0276 5440.543       611.4682 159.7836 5.635238 157.7589 9.232112 2.024719 
10.81609 
1 1 1 8   -18 10 o 41.48058 6.484070  387.8548       109.1497 422.9476       
166.5856 361.4558       144.4848 43.05458 9.472191 39.90656 8.857216 3.148022 
12.96814 
1 1 1 8   -18 11 o 155.9513 6.845854  5417.215       445.9087 5256.524       
658.1339 5553.579       606.2739 153.3098 10.22505 158.5928 9.105557 -5.283020 
13.69171 
1 1 1 8   -18 12 f 54.69026 5.064024  648.6396       115.1380 668.8240       
176.5694 633.7076       151.8676 55.30306 7.604793 54.07747 6.689132 1.225594 
10.12805 
1 1 1 8   -18 13 o 20.94612 6.423501  4.357059       99.24825 -18.45592      
174.9799 15.17732       120.5081 22.17726 9.749825 19.71498 8.365788 2.462284 
12.84700 
1 1 1 8   -18 14 o 51.71772 6.135559  613.1247       128.7256 596.0735       
194.7349 626.3575       171.5520 50.37726 9.553542 53.05817 7.701308 -2.680916 
12.27112 
1 1 1 8   -18 15 o 49.35521 5.819911  496.0454       111.3884 785.6240       
203.1433 371.5503       133.1973 58.83948 8.223465 39.87093 8.237723 18.96855 
11.63982 
1 1 1 8   -18 16 o 26.30479 6.848008  124.4761       99.74045 231.8128       
162.6352 59.76885       126.2749 31.06046 10.49359 21.54912 8.801443 9.511343 
13.69602 
1 1 1 8   -18 17 o 28.59891 6.929151  196.8433       102.1475 144.8982       
158.9263 233.4070       133.3364 26.42709 10.15451 30.77073 9.430719 -4.343636 
13.85830 
1 1 1 8   -18 18 o 42.19583 7.501134  430.8610       120.5268 563.2865       
236.9223 384.6242       139.9956 44.89919 12.23694 39.49247 8.679012 5.406715 
15.00227 
1 1 1 8   -18 19 o 44.39177 8.003145  491.2217       137.7237 705.7613       
263.4686 410.5573       161.5535 49.14574 12.68637 39.63780 9.759986 9.507946 
16.00629 
1 1 1 8   -18 20 o 21.28883 6.720890  20.32498       118.6899 -158.4387      
243.4271 76.07719       135.9441 20.80770 9.947076 21.76995 9.040857 
-0.9622536     13.44178 
1 1 1 8   -18 21 o 71.11943 5.193693  1101.300       130.1036 1485.964       
285.3868 1000.381       146.1775 75.79015 8.968962 66.44872 5.239802 9.341431 
10.38739 
1 1 1 8   -18 22 o 47.64410 7.506235  649.0406       113.8201 735.3400       
285.7252 632.7629       124.0910 43.33904 13.89254 51.94917 5.689613 -8.610134 
15.01247 
1 1 1 8   -18 23 o 63.07056 4.516053  987.3677       117.5686 915.5665       
177.4541 1043.542       156.9598 59.99671 7.044980 66.14441 5.652186 -6.147697 
9.032106 
1 1 1 8   -17 0  o 118.0731 3.309885  2943.958       161.6850 2947.615       
211.4964 2938.814       250.8120 118.2188 4.261255 117.9275 5.065873 0.2912750 
6.619771 
1 1 1 8   -17 1  o 72.38214 3.341812  1111.211       95.50156 1120.783       
116.9696 1092.071       165.4005 72.92659 3.820395 71.83768 5.484104 1.088905 
6.683623 
1 1 1 8   -17 2  o 99.06416 3.740838  2080.501       151.3629 2096.214       
193.3470 2055.627       243.2696 99.63774 4.622049 98.49058 5.883209 1.147163 
7.481677 
1 1 1 8   -17 3  o 170.2285 4.557833  6049.748       309.1458 5837.196       
378.3511 6476.701       536.2329 166.0847 5.426083 174.3723 7.324821 -8.287582 
9.115666 
1 1 1 8   -17 4  o 122.8295 3.585325  3162.738       178.7011 3089.150       
224.2825 3290.672       295.7233 120.9914 4.415317 124.6675 5.650062 -3.676125 
7.170650 
1 1 1 8   -17 5  o 149.5107 5.033227  4835.240       307.1827 5148.607       
398.8899 4378.577       481.5303 155.8307 6.097066 143.1907 8.009949 12.64001 
10.06645 
1 1 1 8   -17 6  f 208.6909 5.945343  9317.777       520.4065 9260.949       
719.4633 9380.137       753.6589 208.1051 8.234686 209.2767 8.577782 -1.171631 
11.89069 
1 1 1 8   -17 7  o 165.9950 5.210616  5817.903       333.8897 5729.928       
398.9359 6023.657       610.0916 164.4177 5.779305 167.5723 8.671891 -3.154633 
10.42123 
1 1 1 8   -17 8  o 161.7245 6.049699  5631.317       403.5787 5556.071       
629.5958 5683.801       525.8146 160.4447 9.346682 163.0043 7.683421 -2.559601 
12.09940 
1 1 1 8   -17 9  o 33.53595 6.898011  247.1511       100.9865 261.8363       
162.7167 237.9510       128.7920 34.41001 10.39257 32.66189 9.073294 1.748119 
13.79602 
1 1 1 8   -17 10 o 124.4754 5.328518  3330.796       272.4147 3349.049       
432.6353 3318.805       350.6576 124.4421 8.280867 124.5087 6.708181 
-0.6658173E-01 10.65704 
1 1 1 8   -17 11 o 54.25072 5.195063  649.7125       113.5469 575.3050       
182.2277 696.9374       145.1750 51.41751 8.441592 57.08393 6.057578 -5.666424 
10.39013 
1 1 1 8   -17 12 o 42.28699 6.490665  422.1571       110.5634 321.2160       
181.8883 481.3126       139.2414 37.36834 10.91573 47.20563 7.025796 -9.837288 
12.98133 
1 1 1 8   -17 13 o 93.90790 4.424513  1901.047       174.3446 1866.452       
249.1758 1934.227       244.0258 93.02243 6.380273 94.79336 6.131671 -1.770927 
8.849027 
1 1 1 8   -17 14 o 51.12524 5.383285  556.5009       113.1912 663.1110       
184.0622 491.6630       143.5422 54.82584 7.996510 47.42465 7.209358 7.401192 
10.76657 
1 1 1 8   -17 15 o 25.56190 6.580238  119.7213       99.94582 -13.22497      
160.8082 203.4019       127.5801 21.34815 9.366205 29.77566 9.245126 -8.427509 
13.16048 
1 1 1 8   -17 16 o 45.56631 6.040133  475.3240       110.3149 550.4559       
171.1051 421.8794       144.3122 48.56969 8.706562 42.56293 8.374281 6.006752 
12.08027 
1 1 1 8   -17 17 o 60.51763 5.350698  813.0513       133.2478 905.9519       
214.5922 754.7564       169.9887 62.94972 8.119723 58.08554 6.970649 4.864182 
10.70140 
1 1 1 8   -17 18 o 77.76781 4.298782  1343.799       140.2251 1352.406       
202.8903 1335.928       194.0232 77.91808 6.202176 77.61753 5.954083 0.3005524 
8.597564 
1 1 1 8   -17 19 o 81.38942 5.775242  1578.081       186.6112 1493.012       
311.8369 1625.541       232.9210 78.06814 9.514256 84.71071 6.549246 -6.642570 
11.55048 
1 1 1 8   -17 20 o 30.80483 7.973740  225.2577       131.9755 363.5677       
219.9648 147.4646       164.9670 35.56178 12.20222 26.04787 10.26781 9.513912 
15.94748 
1 1 1 8   -17 21 o 34.55233 7.734422  320.5877       110.2286 359.8435       
259.6489 311.9574       121.7439 34.03173 13.00749 35.07294 8.371998 -1.041210 
15.46884 
1 1 1 8   -17 22 f 36.46218 7.310734  368.4706       103.7247 396.3297       
236.1386 361.8103       115.4597 34.74110 12.56998 38.18326 7.468793 -3.442162 
14.62147 
1 1 1 8   -17 23 o 31.01951 6.586156  282.3515       95.44594 222.1352       
145.5523 327.7794       126.4222 27.51102 9.877133 34.52800 8.715046 -7.016979 
13.17231 
1 1 1 8   -17 24 o 31.01504 6.704981  294.1625       94.90157 295.0914       
148.0916 293.5152       123.6208 30.36383 10.01341 31.66625 8.919567 -1.302418 
13.40996 
1 1 1 8   -16 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -16 1  o 26.15800 5.165719  156.4989       70.49212 248.4167       
86.22576 -28.74014      122.4063 33.70700 6.326311 18.60899 8.168012 15.09802 
10.33144 
1 1 1 8   -16 2  o 57.87333 3.722368  715.1075       87.07586 736.0746       
110.1614 680.1931       142.1552 59.07208 4.441895 56.67458 5.974418 2.397503 
7.444736 
1 1 1 8   -16 3  o 110.0227 3.421405  2556.263       158.0048 2631.719       
224.7354 2482.505       222.1913 111.6341 4.795081 108.4113 4.881726 3.222710 
6.842810 
1 1 1 8   -16 4  o 22.45529 5.826735  86.02246       73.44231 118.1986       
94.35282 36.55919       116.9848 24.10283 7.992715 20.80775 8.480559 3.295076 
11.65347 
1 1 1 8   -16 5  o 206.4428 5.472922  9084.055       470.3218 9018.324       
624.8668 9169.957       714.3492 205.7947 7.232265 207.0909 8.216194 -1.296204 
10.94584 
1 1 1 8   -16 6  o 65.68888 3.490870  913.2797       94.71417 920.3721       
123.6258 903.2006       147.3740 66.03779 4.459003 65.33997 5.372335 0.6978149 
6.981740 
1 1 1 8   -16 7  o 126.2678 5.659595  3391.851       296.3382 3486.188       
458.8889 3324.369       388.1163 127.6123 8.565170 124.9233 7.400131 2.688980 
11.31919 
1 1 1 8   -16 8  o 48.58612 5.292278  487.7680       105.3004 573.1682       
173.5169 437.9817       132.4852 51.79810 7.979011 45.37413 6.954727 6.423969 
10.58456 
1 1 1 8   -16 9  o 73.92229 4.712688  1156.559       144.4571 1198.189       
224.1366 1126.979       188.9315 74.98637 7.119534 72.85821 6.176566 2.128159 
9.425377 
1 1 1 8   -16 10 o 184.9166 6.827001  7391.377       477.7907 7438.065       
894.2945 7372.728       565.2209 184.0811 11.57157 185.7522 7.247787 -1.671082 
13.65400 
1 1 1 8   -16 11 o 71.50705 4.684021  1073.731       138.3161 1193.867       
220.3875 995.6605       177.6625 74.67174 7.029941 68.34237 6.191941 6.329369 
9.368042 
1 1 1 8   -16 12 o 171.7215 7.328158  6513.914       527.7458 6374.097       
758.5291 6645.095       734.7303 169.7012 10.64654 173.7418 10.07268 -4.040604 
14.65632 
1 1 1 8   -16 13 o 69.52754 4.821606  1016.845       138.2648 1169.829       
222.0754 920.0050       176.6876 73.60143 7.186794 65.45365 6.429739 8.147781 
9.643212 
1 1 1 8   -16 14 o 28.51274 6.950406  168.5088       105.4388 71.86127       
169.2192 229.8442       134.8062 25.15510 10.21729 31.87038 9.425476 -6.715284 
13.90081 
1 1 1 8   -16 15 o 48.51660 6.321917  542.6670       123.9879 436.0643       
181.6025 635.7466       169.6935 43.13363 10.17999 53.89957 7.498959 -10.76594 
12.64383 
1 1 1 8   -16 16 o 43.23040 6.581285  429.6535       115.3675 506.1234       
175.9347 371.9667       152.8075 46.62287 9.317696 39.83792 9.296976 6.784946 
13.16257 
1 1 1 8   -16 17 o 82.11134 4.647078  1489.961       157.3917 1166.060       
219.3924 1833.431       225.9223 72.48707 7.209117 91.73563 5.866000 -19.24856 
9.294155 
1 1 1 8   -16 18 o 64.44778 4.488448  917.1708       121.3932 954.1754       
174.2041 882.2393       169.2546 65.72815 6.312888 63.16741 6.382171 2.560738 
8.976896 
1 1 1 8   -16 19 o 53.73395 6.023197  673.6623       135.2916 665.7847       
182.8665 683.1884       201.0920 53.63533 8.120902 53.83256 8.897559 
-0.1972237     12.04639 
1 1 1 8   -16 20 o 73.47795 4.980762  1235.988       153.5257 1189.707       
217.8943 1281.615       216.3500 71.96481 7.211852 74.99109 6.871767 -3.026276 
9.961525 
1 1 1 8   -16 21 o 40.25979 7.453892  331.9587       103.5510 656.1257       
251.0898 265.5258       113.6675 47.82646 12.40304 32.69313 8.270823 15.13333 
14.90778 
1 1 1 8   -16 22 o 26.54343 6.925220  181.2507       105.1831 -18.44458      
241.7456 227.8831       116.8204 23.33678 10.72299 29.75008 8.766530 -6.413301 
13.85044 
1 1 1 8   -16 23 o 24.88866 6.632573  133.3373       90.00368 231.4481       
159.1563 87.21085       109.1291 28.83264 10.33072 20.94469 8.321081 7.887945 
13.26515 
1 1 1 8   -16 24 o 41.65825 6.045455  535.7527       99.89626 283.6832       
173.8946 659.9117       122.0436 29.98043 10.79282 53.33606 5.450232 -23.35563 
12.09091 
1 1 1 8   -16 25 o 25.31535 7.069143  172.0800       96.21030 275.7852       
207.8624 143.8052       108.5364 27.72767 11.30323 22.90302 8.492826 4.824656 
14.13829 
1 1 1 8   -15 0  o 238.1797 7.177181  12312.02       664.3884 12642.58       
807.0311 11616.84       1170.359 244.0690 7.875874 232.2905 12.00076 11.77846 
14.35436 
1 1 1 8   -15 1  o 166.7954 6.144558  5857.742       424.9811 5529.952       
552.8768 6331.114       664.4039 161.2933 8.164565 172.2976 9.184893 -11.00426 
12.28912 
1 1 1 8   -15 2  o 177.7085 4.899070  6661.603       365.5112 6661.603       
365.5112 0.000000       0.000000 177.7085 4.899070 ?        ?        ? ? 
1 1 1 8   -15 3  o 169.5986 4.009235  6096.251       283.5897 6227.415       
382.2178 5935.614       422.9865 171.7081 5.302020 167.4891 6.015351 4.218918 
8.018470 
1 1 1 8   -15 4  o 118.8753 3.849901  2979.043       180.0245 2963.546       
218.9636 3011.370       316.2499 118.5444 4.399589 119.2061 6.319065 
-0.6617737     7.699803 
1 1 1 8   -15 5  o 85.34772 3.514626  1531.712       120.5868 1514.511       
149.8788 1563.283       203.0530 84.74718 4.212462 85.94825 5.627214 -1.201065 
7.029252 
1 1 1 8   -15 6  f 46.35068 5.616551  486.3149       102.5748 367.4315       
156.2980 576.2552       135.9471 40.57899 9.358811 52.12236 6.212508 -11.54337 
11.23310 
1 1 1 8   -15 7  o 142.8231 5.976516  4372.118       356.4045 4305.589       
530.0891 4427.004       481.4748 141.6763 8.911952 143.9699 7.965683 -2.293625 
11.95303 
1 1 1 8   -15 8  o 32.33945 6.528893  230.3313       93.00629 221.6531       
133.3725 238.5462       129.7632 31.83794 9.362331 32.84097 9.102335 -1.003029 
13.05779 
1 1 1 8   -15 9  o 88.59068 4.390874  1641.631       158.4947 1759.109       
261.1783 1573.149       199.4095 90.96700 6.838713 86.21436 5.509183 4.752632 
8.781748 
1 1 1 8   -15 10 o 124.6173 5.733967  3327.334       297.4716 3267.144       
448.3352 3374.672       397.5968 123.4510 8.650262 125.7837 7.529042 -2.332649 
11.46793 
1 1 1 8   -15 11 o 72.21544 4.430936  1073.256       131.2672 1273.275       
215.2944 954.9014       165.6109 77.34898 6.629782 67.08189 5.880371 10.26709 
8.861872 
1 1 1 8   -15 12 o 141.7012 5.409014  4191.125       284.1623 4560.895       
561.0383 4063.533       329.5614 145.1055 9.209367 138.2970 5.676029 6.808502 
10.81803 
1 1 1 8   -15 13 o 161.9630 5.464472  5600.282       366.3293 5974.311       
575.1609 5344.991       475.1765 166.1761 8.244075 157.7499 7.174750 8.426132 
10.92894 
1 1 1 8   -15 14 o 109.9376 4.691013  2596.366       214.6074 2594.570       
285.3332 2598.706       325.6482 110.0622 6.174974 109.8130 7.063435 0.2492218 
9.382026 
1 1 1 8   -15 15 o 85.98373 4.580255  1582.366       164.7992 1470.053       
222.3867 1719.169       245.4371 82.64303 6.409492 89.32442 6.544720 -6.681396 
9.160510 
1 1 1 8   -15 16 o 33.38574 7.277316  251.1123       111.0837 286.7557       
170.9533 225.0647       146.1409 35.20623 10.65623 31.56525 9.913732 3.640984 
14.55463 
1 1 1 8   -15 17 o 25.09945 6.955595  92.22897       110.7751 8.713998       
168.7455 155.4743       146.8468 22.60304 9.753057 27.59585 9.919630 -4.992809 
13.91119 
1 1 1 8   -15 18 o 66.52265 4.733202  966.3067       131.7037 880.1464       
177.6277 1071.513       196.2805 63.25576 6.688545 69.78954 6.698967 -6.533783 
9.466403 
1 1 1 8   -15 19 o 32.36182 7.060730  248.6038       106.4437 309.5280       
157.1465 196.9539       144.6920 35.53119 10.07219 29.19246 9.897811 6.338726 
14.12146 
1 1 1 8   -15 20 o 44.77304 6.187541  484.3347       112.9583 402.8914       
165.8727 554.7676       154.2536 40.18953 9.885755 49.35654 7.444092 -9.167007 
12.37508 
1 1 1 8   -15 21 o 76.07561 4.738166  1300.143       132.2405 1337.363       
259.1821 1287.044       153.7604 75.40439 8.187087 76.74683 4.772052 -1.342438 
9.476333 
1 1 1 8   -15 22 f 27.84530 7.616454  151.6476       100.3781 268.9488       
248.6274 128.8045       109.7173 31.86510 12.59123 23.82550 8.573349 8.039598 
15.23291 
1 1 1 8   -15 23 o 35.54833 6.109369  319.4437       88.48381 340.2792       
142.9229 306.4944       112.6736 35.94296 9.374598 35.15370 7.836740 0.7892532 
12.21874 
1 1 1 8   -15 24 f 56.05962 4.727921  743.6083       109.1198 739.0527       
170.5277 746.7672       141.9976 55.25665 7.350748 56.86259 5.948061 -1.605949 
9.455841 
1 1 1 8   -15 25 o 18.45495 5.992445  -13.52745      96.93567 18.43453       
179.6297 -26.65940      115.1399 20.61498 9.387384 16.29491 7.450813 4.320065 
11.98489 
1 1 1 8   -15 26 o 35.98825 6.235429  451.1467       112.4645 152.1610       
207.3135 575.8277       133.8759 23.92559 10.55853 48.05090 6.636236 -24.12531 
12.47086 
1 1 1 8   -14 0  o 133.9501 4.188681  3765.267       215.6714 3735.925       
257.1590 3834.840       395.9887 133.2066 4.598298 134.6936 7.002560 -1.487091 
8.377361 
1 1 1 8   -14 1  o 129.2059 3.822947  3429.158       198.4557 3225.235       
244.0014 3827.702       341.1118 123.7469 4.696551 134.6650 6.033414 -10.91806 
7.645893 
1 1 1 8   -14 2  o 183.6485 5.995938  7037.545       429.9375 6830.306       
516.6447 7504.280       775.3368 179.6982 6.848090 187.5988 9.844225 -7.900604 
11.99188 
1 1 1 8   -14 3  o 210.1805 7.925058  9376.930       699.3167 0.000000       
0.000000 9376.930       699.3167 ?        ?        210.1805 7.925058 ? ? 
1 1 1 8   -14 4  o 153.2598 5.239609  4971.045       317.5116 4946.630       
388.2054 5020.380       551.8424 152.9641 6.044955 153.5556 8.559937 
-0.5914307     10.47922 
1 1 1 8   -14 5  o 113.4035 3.525609  2761.638       158.5248 2867.753       
196.5819 2564.316       268.0671 116.6796 4.013007 110.1274 5.797882 6.552185 
7.051217 
1 1 1 8   -14 6  o 215.9586 7.498836  9952.165       594.9927 10259.52       
1174.764 9846.120       690.0446 216.8285 12.90493 215.0887 7.641536 1.739807 
14.99767 
1 1 1 8   -14 7  o 79.10687 4.071619  1329.679       134.4425 1273.934       
198.6606 1376.782       182.6125 77.53018 6.103261 80.68356 5.390966 -3.153374 
8.143237 
1 1 1 8   -14 8  o 50.39881 5.324299  523.5249       107.8223 699.9170       
174.7123 415.0164       137.0300 57.33200 7.258510 43.46561 7.791450 13.86639 
10.64860 
1 1 1 8   -14 9  o 71.15263 4.484338  1076.731       129.8190 1064.916       
210.7435 1083.956       164.7988 70.73992 7.095951 71.56535 5.484945 
-0.8254318     8.968676 
1 1 1 8   -14 10 f 126.6550 5.342597  3353.208       270.3357 3633.168       
467.3521 3212.433       331.4059 130.2836 8.544281 123.0263 6.416280 7.257324 
10.68519 
1 1 1 8   -14 11 o 34.76392 7.068695  256.8215       105.3811 310.9782       
176.5327 226.8384       131.3522 37.41401 10.69768 32.11382 9.242591 5.300194 
14.13739 
1 1 1 8   -14 12 o 133.8631 5.908617  3845.974       331.1724 3930.493       
455.1813 3750.917       482.7289 135.5427 7.998881 132.1835 8.698558 3.359283 
11.81723 
1 1 1 8   -14 13 o 168.1863 7.240336  6075.824       506.2336 6737.454       
785.1796 5605.138       662.2583 175.6750 10.64585 160.6976 9.816102 14.97737 
14.48067 
1 1 1 8   -14 14 f 70.98026 5.150663  1085.220       152.1529 1051.386       
228.6608 1112.105       203.8275 69.86977 7.795131 72.09074 6.734483 -2.220970 
10.30133 
1 1 1 8   -14 15 o 33.65987 7.159866  220.9954       116.8187 407.7552       
182.2218 90.68468       152.2120 42.12337 10.36153 25.19636 9.883995 16.92701 
14.31973 
1 1 1 8   -14 16 o 71.56808 5.218127  1113.104       155.6501 1083.563       
232.6335 1137.046       209.4346 70.55653 7.853371 72.57962 6.873132 -2.023087 
10.43625 
1 1 1 8   -14 17 o 26.30105 6.743802  107.4114       110.0850 -73.98529      
171.9125 233.4947       143.3249 20.54658 9.300467 32.05553 9.768150 -11.50895 
13.48760 
1 1 1 8   -14 18 o 30.42329 7.083776  207.9619       105.2825 228.0974       
142.6190 183.8484       156.0726 31.51831 9.772565 29.32828 10.25751 2.190037 
14.16755 
1 1 1 8   -14 19 o 97.38908 4.545985  2071.505       185.2457 2008.199       
250.4066 2148.031       275.3152 95.87949 6.220726 98.89869 6.630722 -3.019203 
9.091969 
1 1 1 8   -14 20 o 69.53017 4.711545  1051.510       136.1083 1225.693       
211.8326 929.0389       177.6262 74.26610 6.793962 64.79423 6.529676 9.471870 
9.423089 
1 1 1 8   -14 21 f 39.08584 6.162415  413.4685       92.06317 248.7475       
180.0119 471.8134       107.1342 31.82022 11.02690 46.35145 5.505361 -14.53123 
12.32483 
1 1 1 8   -14 22 o 67.15049 5.072639  914.6151       112.5085 1248.120       
271.5547 845.5040       123.6174 72.07436 8.974237 62.22662 4.731779 9.847744 
10.14528 
1 1 1 8   -14 23 o 84.14294 4.280216  1569.349       138.8762 1681.232       
254.5272 1521.921       165.7174 85.07880 7.125805 83.20710 4.743828 1.871696 
8.560432 
1 1 1 8   -14 24 o 49.68253 5.457388  620.0952       102.2130 516.5308       
170.2276 678.4865       127.8201 44.53532 9.396802 54.82973 5.552699 -10.29441 
10.91478 
1 1 1 8   -14 25 o 50.55341 5.658408  598.6088       115.0113 771.7338       
200.6041 513.8383       140.3726 54.97926 8.690846 46.12756 7.248415 8.851696 
11.31682 
1 1 1 8   -14 26 o 32.54677 6.047101  342.5334       104.3860 61.06139       
196.2483 453.5898       123.2708 22.12145 9.979149 42.97208 6.832738 -20.85063 
12.09420 
1 1 1 8   -14 27 o 18.30042 6.010564  -8.105412      106.2122 -78.38602      
197.9582 20.30516       125.8623 18.64810 8.927950 17.95273 8.049797 0.6953773 
12.02113 
1 1 1 8   -13 0  o 199.2218 5.433697  8380.632       453.3357 8290.743       
618.0819 8485.290       666.9278 198.1098 7.431236 200.3337 7.929501 -2.223862 
10.86739 
1 1 1 8   -13 1  o 147.0391 5.522880  4513.476       335.6013 4260.855       
432.7557 4894.621       531.5617 142.0174 7.258090 152.0609 8.326399 -10.04352 
11.04576 
1 1 1 8   -13 2  o 206.5728 10.68627  9091.140       926.7836 0.000000       
0.000000 9091.140       926.7836 ?        ?        206.5728 10.68627 ? ? 
1 1 1 8   -13 3  o 154.4589 6.036092  5033.969       391.4242 0.000000       
0.000000 5033.969       391.4242 ?        ?        154.4589 6.036092 ? ? 
1 1 1 8   -13 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -13 6  o 143.6142 6.967300  4370.406       420.0885 0.000000       
0.000000 4370.406       420.0885 ?        ?        143.6142 6.967300 ? ? 
1 1 1 8   -13 7  o 177.5559 7.266818  6694.205       541.6993 0.000000       
0.000000 6694.205       541.6993 ?        ?        177.5559 7.266818 ? ? 
1 1 1 8   -13 8  o 67.23072 5.406502  955.5793       152.6030 0.000000       
0.000000 955.5793       152.6030 ?        ?        67.23072 5.406502 ? ? 
1 1 1 8   -13 9  o 92.57172 4.299535  1824.684       166.3259 1948.101       
230.0324 1689.471       240.7759 95.91960 5.712192 89.22384 6.427665 6.695763 
8.599071 
1 1 1 8   -13 10 o 82.94353 4.019693  1438.950       136.9983 1542.982       
220.5731 1373.613       174.8030 85.29022 6.159909 80.59684 5.165971 4.693382 
8.039387 
1 1 1 8   -13 11 o 90.64423 4.805009  1749.241       182.1187 1710.098       
268.1602 1782.752       248.1155 89.64594 7.124999 91.64252 6.448786 -1.996574 
9.610018 
1 1 1 8   -13 12 o 108.3332 4.944075  2536.759       217.6205 2321.373       
346.5172 2677.038       279.6475 104.2741 7.915340 112.3924 5.926457 -8.118309 
9.888150 
1 1 1 8   -13 13 o 133.4911 6.267725  3830.656       349.9801 3767.087       
514.9054 3885.244       477.1423 132.3214 9.268691 134.6608 8.439718 -2.339355 
12.53545 
1 1 1 8   -13 14 o 89.01671 4.911683  1682.246       180.4945 1734.544       
284.0638 1646.834       233.7459 90.05064 7.513637 87.98277 6.328015 2.067863 
9.823365 
1 1 1 8   -13 15 o 63.41621 5.554861  878.4937       145.3475 771.6293       
217.7373 964.3878       195.2081 59.71077 8.685628 67.12164 6.927176 -7.410873 
11.10972 
1 1 1 8   -13 16 o 29.36232 7.365730  155.7414       112.9957 240.5550       
181.8047 102.3568       144.2382 33.39164 11.09480 25.33300 9.691304 8.058645 
14.73146 
1 1 1 8   -13 17 o 48.29504 6.217422  506.9761       122.2752 619.1924       
190.4128 428.2288       159.5092 53.18924 8.526943 43.40085 9.050779 9.788387 
12.43484 
1 1 1 8   -13 18 o 45.09751 6.121820  458.9184       112.8325 349.8376       
157.0412 575.3173       162.2235 38.84489 9.658391 51.35012 7.524773 -12.50523 
12.24364 
1 1 1 8   -13 19 o 23.26094 6.690019  61.35729       102.2000 85.71736       
151.2865 40.90874       138.6093 24.54688 9.783154 21.97501 9.127721 2.571875 
13.38004 
1 1 1 8   -13 20 o 25.74736 7.151501  106.6874       113.9871 147.1631       
162.0553 67.05290       160.3623 27.47295 10.33960 24.02177 9.882740 3.451180 
14.30300 
1 1 1 8   -13 21 o 48.85525 5.227610  478.3475       96.98838 681.3856       
192.9690 409.7199       112.1885 54.56920 8.422890 43.14129 6.194073 11.42791 
10.45522 
1 1 1 8   -13 22 o 26.87834 6.405500  175.2101       91.92917 5.430183       
183.5030 232.0963       106.2193 22.59523 9.957459 31.16144 8.060441 -8.566212 
12.81100 
1 1 1 8   -13 23 o 85.80499 4.305308  1678.290       145.5936 1550.911       
246.6703 1746.391       180.3617 82.24603 7.143696 89.36396 4.807320 -7.117928 
8.610617 
1 1 1 8   -13 24 o 40.28980 6.297396  371.6826       95.19836 510.2754       
182.9404 320.2155       111.4819 44.16331 10.08418 36.41629 7.545737 7.747017 
12.59479 
1 1 1 8   -13 25 o 26.42249 6.811184  169.7471       92.14762 180.4124       
174.1803 165.6019       108.5879 27.10351 10.58524 25.74147 8.574475 1.362047 
13.62237 
1 1 1 8   -13 26 o 25.68273 6.461048  177.9123       95.87350 15.24858       
188.8769 234.3702       111.2746 21.53695 9.748671 29.82851 8.481978 -8.291567 
12.92210 
1 1 1 8   -13 27 o 20.40396 6.410271  52.10996       100.9589 40.27182       
200.0572 56.15495       116.9421 21.60890 9.857884 19.19901 8.196855 2.409887 
12.82054 
1 1 1 8   -12 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -12 1  o 267.0554 9.562716  15106.67       1072.165 15106.67       
1072.165 0.000000       0.000000 267.0554 9.562716 ?        ?        ? ? 
1 1 1 8   -12 2  o 213.4254 10.57771  9675.072       947.7997 9675.072       
947.7997 0.000000       0.000000 213.4254 10.57771 ?        ?        ? ? 
1 1 1 8   -12 3  o 263.3120 9.429522  14702.15       1042.412 14702.15       
1042.412 0.000000       0.000000 263.3120 9.429522 ?        ?        ? ? 
1 1 1 8   -12 4  o 78.57343 6.100367  1302.032       201.2383 1302.032       
201.2383 0.000000       0.000000 78.57343 6.100367 ?        ?        ? ? 
1 1 1 8   -12 5  o 138.8415 8.687548  4089.093       506.4019 4089.093       
506.4019 0.000000       0.000000 138.8415 8.687548 ?        ?        ? ? 
1 1 1 8   -12 6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -12 8  o 33.18480 7.857437  243.3481       107.9164 0.000000       
0.000000 243.3481       107.9164 ?        ?        33.18480 7.857437 ? ? 
1 1 1 8   -12 9  o 168.4264 9.431289  6076.331       666.8993 0.000000       
0.000000 6076.331       666.8993 ?        ?        168.4264 9.431289 ? ? 
1 1 1 8   -12 10 o 91.06433 4.653791  1764.529       177.4288 1677.926       
256.4068 1844.099       245.7753 88.86984 6.872207 93.25882 6.277248 -4.388977 
9.307582 
1 1 1 8   -12 11 o 79.56966 4.630617  1360.933       152.3722 1109.879       
217.8760 1601.269       213.1745 72.20499 7.187257 86.93432 5.840703 -14.72933 
9.261234 
1 1 1 8   -12 12 o 124.1127 5.657667  3288.990       294.7075 3407.944       
420.0783 3173.701       413.5568 126.3436 7.919508 121.8819 8.081965 4.461670 
11.31533 
1 1 1 8   -12 13 o 91.34810 4.338846  1766.708       166.1138 1814.734       
243.3822 1724.824       227.2840 92.48849 6.267901 90.20772 6.001313 2.280769 
8.677692 
1 1 1 8   -12 14 o 84.15561 4.379969  1499.238       154.3739 1553.122       
227.8687 1453.528       209.8751 85.52727 6.346015 82.78396 6.038593 2.743309 
8.759938 
1 1 1 8   -12 15 o 29.15662 6.957249  110.8456       103.1392 321.2826       
184.4409 15.10156       124.4090 37.92794 10.96409 20.38529 8.567496 17.54265 
13.91450 
1 1 1 8   -12 16 o 157.7118 6.437976  5366.476       409.4804 5495.798       
683.6281 5294.117       511.3628 158.4944 10.27370 156.9291 7.761519 1.565338 
12.87595 
1 1 1 8   -12 17 o 121.2700 4.958244  3150.169       239.5346 3197.930       
410.0399 3125.427       295.1284 121.5173 8.037281 121.0227 5.808516 0.4945450 
9.916489 
1 1 1 8   -12 18 o 78.09605 4.362296  1302.728       141.5974 1349.529       
217.6580 1268.387       186.4441 79.20036 6.545886 76.99175 5.768004 2.208611 
8.724591 
1 1 1 8   -12 19 o 67.06543 5.336749  984.7324       149.6275 897.0781       
213.6947 1069.040       209.5760 63.98623 7.954783 70.14463 7.116528 -6.158401 
10.67350 
1 1 1 8   -12 20 f 38.78406 7.121485  357.2553       117.3543 320.7911       
172.9287 388.3845       159.7784 36.81940 10.60758 40.74871 9.504815 -3.929306 
14.24297 
1 1 1 8   -12 21 o 27.66278 6.726014  104.9065       93.07235 316.7077       
176.0315 22.72282       109.6526 36.20160 10.78448 19.12396 8.040652 17.07763 
13.45203 
1 1 1 8   -12 22 o 34.30276 6.848424  300.1299       100.2397 210.8602       
194.4333 332.4461       116.9849 30.75847 11.37483 37.84706 7.630002 -7.088585 
13.69685 
1 1 1 8   -12 23 o 47.10777 5.522397  474.6486       93.04454 606.8571       
190.6030 433.2870       106.6102 49.89472 9.442513 44.32083 5.729436 5.573891 
11.04479 
1 1 1 8   -12 24 f 48.47009 5.677036  554.7152       103.4238 560.9688       
184.8756 551.8667       124.7751 47.27043 9.649478 49.66974 5.983522 -2.399315 
11.35407 
1 1 1 8   -12 25 o 30.91016 7.074818  243.5109       97.59402 252.5808       
192.6963 240.3817       113.1840 30.86490 11.33651 30.95543 8.467338 
-0.9052849E-01 14.14964 
1 1 1 8   -12 26 o 29.49984 7.011933  233.2024       98.75208 210.2665       
189.4868 241.7547       115.7077 28.40634 11.05151 30.59335 8.633245 -2.187012 
14.02387 
1 1 1 8   -12 27 o 18.31362 5.794142  -24.90505      100.2468 -301.2683      
194.6248 74.89204       116.9545 16.09327 7.938046 20.53397 8.442496 -4.440701 
11.58828 
1 1 1 8   -12 28 o 34.82665 7.617131  337.1151       108.6206 545.8117       
223.3636 272.4759       124.3091 38.95001 12.26086 30.70330 9.041794 8.246710 
15.23426 
1 1 1 8   -11 0  o 143.9997 4.614367  4362.331       247.5716 4356.085       
289.6301 4379.274       477.0331 143.9212 4.793362 144.0782 7.886267 
-0.1569977     9.228734 
1 1 1 8   -11 1  o 303.2972 8.501434  19710.50       935.6368 19882.03       
1082.556 19204.08       1860.102 306.8525 8.403147 299.7419 14.78123 7.110596 
17.00287 
1 1 1 8   -11 2  o 333.0076 7.694806  23452.42       1041.965 23245.01       
1316.370 23800.40       1705.032 331.4623 9.459428 334.5529 12.13917 -3.090637 
15.38961 
1 1 1 8   -11 3  o 160.8369 5.727580  5480.684       385.5437 5110.086       
553.7794 5829.274       537.0859 155.4964 8.482768 166.1774 7.698267 -10.68100 
11.45516 
1 1 1 8   -11 4  o 61.56520 4.438872  813.0119       112.4692 707.8823       
169.7723 895.2349       150.1415 57.92615 6.980928 65.20425 5.484612 -7.278095 
8.877744 
1 1 1 8   -11 5  o 224.0971 8.451385  10657.05       788.3871 10312.29       
1041.861 11118.96       1205.945 220.0729 11.27624 228.1212 12.59166 -8.048340 
16.90277 
1 1 1 8   -11 6  o 109.6638 4.790105  2523.104       219.8382 2322.520       
297.2276 2765.360       326.6472 104.8845 6.749922 114.4431 6.798456 -9.558586 
9.580211 
1 1 1 8   -11 7  o 156.1329 8.937557  5175.631       585.8577 5175.631       
585.8577 0.000000       0.000000 156.1329 8.937557 ?        ?        ? ? 
1 1 1 8   -11 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -11 10 o 139.0609 6.176453  4093.012       360.5978 0.000000       
0.000000 4093.012       360.5978 ?        ?        139.0609 6.176453 ? ? 
1 1 1 8   -11 11 o 180.9566 6.409561  6959.343       468.0812 6820.367       
583.8259 7209.438       783.1869 178.9231 7.772092 182.9901 10.19433 -4.067001 
12.81912 
1 1 1 8   -11 12 o 97.02254 4.885891  1999.766       198.9316 1938.348       
276.4930 2065.679       286.4338 95.48165 6.897399 98.56342 6.921967 -3.081772 
9.771783 
1 1 1 8   -11 13 o 31.80019 6.929484  217.0466       98.78071 213.0364       
167.4841 219.1857       122.3206 32.07046 10.64887 31.52992 8.869752 0.5405426 
13.85897 
1 1 1 8   -11 14 o 26.69817 6.920363  97.14225       99.54809 210.4700       
171.7961 39.85533       122.1442 32.06876 10.78508 21.32757 8.674542 10.74119 
13.84073 
1 1 1 8   -11 15 o 63.73142 4.925087  861.4681       131.2455 894.1090       
196.0077 834.9386       176.7076 64.79210 7.205632 62.67074 6.716012 2.121357 
9.850175 
1 1 1 8   -11 16 o 68.25230 4.934752  990.8483       140.8353 1017.249       
209.8896 969.2271       189.9432 69.03734 7.241490 67.46728 6.705815 1.570061 
9.869505 
1 1 1 8   -11 17 o 94.33926 4.521501  1896.853       179.0082 1959.903       
257.5573 1837.937       248.9726 95.85314 6.400128 92.82539 6.388602 3.027748 
9.043001 
1 1 1 8   -11 18 o 67.08273 4.945742  937.7437       136.7037 820.9272       
174.0643 1125.768       220.8335 61.86134 6.702108 72.30411 7.274834 -10.44277 
9.891484 
1 1 1 8   -11 19 o 97.54855 7.255939  2058.656       297.1620 0.000000       
0.000000 2058.656       297.1620 ?        ?        97.54855 7.255939 ? ? 
1 1 1 8   -11 20 o 40.26533 7.215238  378.7272       122.4987 341.0928       
173.9389 415.7622       172.5481 38.21451 10.51609 42.31615 9.881823 -4.101639 
14.43048 
1 1 1 8   -11 21 o 62.64977 4.943763  868.0519       116.7575 834.6066       
216.9344 881.6913       138.5340 61.21430 8.441054 64.08524 5.148960 -2.870937 
9.887527 
1 1 1 8   -11 22 o 99.74318 4.748745  2122.109       163.7318 2310.575       
356.0433 2071.564       184.3849 101.1884 8.380952 98.29800 4.467882 2.890358 
9.497490 
1 1 1 8   -11 23 o 32.67743 6.502387  264.5395       86.28953 208.5668       
181.1137 280.9758       98.14462 30.36373 11.00626 34.99112 6.927211 -4.627392 
13.00477 
1 1 1 8   -11 24 o 66.82869 4.393053  977.7318       114.4784 1041.499       
205.8301 949.1716       137.7494 67.69021 7.242759 65.96716 4.973739 1.723045 
8.786105 
1 1 1 8   -11 25 f 40.76832 6.375031  467.0117       101.7967 269.0656       
191.8660 544.5629       120.0933 32.13128 11.35966 49.40536 5.789829 -17.27409 
12.75006 
1 1 1 8   -11 26 o 71.97653 4.748453  1122.776       120.4920 1338.483       
258.5026 1062.902       136.1916 74.44215 8.271173 69.51093 4.666790 4.931221 
9.496906 
1 1 1 8   -11 27 o 50.61694 6.386479  686.7145       117.3879 567.0858       
211.6937 739.8322       141.0621 44.37366 11.32390 56.86022 5.909119 -12.48656 
12.77296 
1 1 1 8   -11 28 o 18.93138 6.289142  -97.31580      105.9198 97.50797       
211.9659 -162.1540      122.2814 24.13831 10.66128 13.72445 6.674603 10.41386 
12.57828 
1 1 1 8   -11 29 o 55.09569 6.327171  826.0936       127.7014 868.8635       
234.4866 808.0599       152.2619 52.60952 10.97557 57.58186 6.298347 -4.972336 
12.65434 
1 1 1 8   -10 0  o 232.6158 6.855744  11197.62       560.5294 11007.63       
634.9897 11868.21       1192.956 228.6440 6.614969 236.5876 12.01029 -7.943573 
13.71149 
1 1 1 8   -10 1  o 71.29594 3.133163  1092.388       84.55906 1125.757       
100.7358 1012.789       155.5848 73.20316 3.277743 69.38872 5.340715 3.814438 
6.266325 
1 1 1 8   -10 2  o 476.2718 11.49261  43940.56       806.7524 43641.99       
818.8477 53823.70       4711.179 455.6463 4.280518 496.8972 22.58313 -41.25085 
22.98522 
1 1 1 8   -10 3  o 209.7250 5.744205  8621.590       233.0667 8542.298       
239.4244 10055.40       1018.122 201.6620 2.827909 217.7880 11.13492 -16.12593 
11.48841 
1 1 1 8   -10 4  o 66.50012 3.590084  888.3473       96.73511 782.1462       
119.3725 1091.490       165.0975 60.98390 4.662405 72.01634 5.460475 -11.03244 
7.180167 
1 1 1 8   -10 5  o 221.5506 5.496481  9729.078       453.1110 9067.011       
522.2017 11746.27       911.5092 207.4819 5.994863 235.6193 9.214490 -28.13744 
10.99296 
1 1 1 8   -10 6  o 176.8233 5.772121  6508.911       404.6395 6314.413       
493.0766 6910.034       708.1019 173.0258 6.787733 180.6209 9.337892 -7.595139 
11.54424 
1 1 1 8   -10 7  f 198.8748 7.112700  8401.586       579.5334 8390.850       
926.0342 8408.499       743.0246 198.5170 11.11093 199.2326 8.883083 
-0.7156830     14.22540 
1 1 1 8   -10 8  o 87.42671 4.360043  1604.805       159.3883 1695.800       
238.6003 1531.477       214.1887 89.64138 6.339915 85.21205 5.987100 4.429329 
8.720086 
1 1 1 8   -10 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -10 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -10 11 o 285.0288 16.30550  17995.69       1951.200 0.000000       
0.000000 17995.69       1951.200 ?        ?        285.0288 16.30550 ? ? 
1 1 1 8   -10 12 o 55.29821 5.113836  631.2850       116.8643 809.0851       
182.7025 508.1662       152.0339 61.71582 7.051296 48.88060 7.408408 12.83522 
10.22767 
1 1 1 8   -10 13 o 132.9997 5.323284  3770.607       297.1396 3690.376       
422.4407 3849.172       418.0318 131.5672 7.647847 134.4322 7.406742 -2.864960 
10.64657 
1 1 1 8   -10 14 o 67.57016 4.895008  954.2968       137.4876 1094.279       
213.5869 855.2549       179.6586 71.70605 7.094796 63.43428 6.745982 8.271767 
9.790015 
1 1 1 8   -10 15 o 131.7341 5.761530  3573.897       300.2419 4109.185       
536.0422 3329.199       362.4275 138.3332 9.229831 125.1351 6.898633 13.19807 
11.52306 
1 1 1 8   -10 16 o 106.0351 5.417419  2398.677       241.1288 2338.225       
339.0182 2460.571       343.0325 104.6713 7.714656 107.3990 7.607747 -2.727753 
10.83484 
1 1 1 8   -10 17 o 99.09673 5.171813  2096.866       214.1505 2100.636       
289.3692 2092.302       318.4199 99.27720 6.942628 98.91625 7.667496 0.3609467 
10.34363 
1 1 1 8   -10 18 o 84.24297 4.760037  1504.428       167.4715 1737.803       
248.4337 1310.044       226.7323 90.22150 6.558756 78.26445 6.900330 11.95705 
9.520075 
1 1 1 8   -10 19 o 70.98549 5.205970  1076.428       154.4021 1230.281       
230.1560 950.5219       208.2054 75.58456 7.252876 66.38641 7.470226 9.198143 
10.41194 
1 1 1 8   -10 20 o 108.8685 4.849459  2555.615       221.4004 2579.799       
321.4699 2533.792       305.3654 109.2945 7.005884 108.4424 6.707205 0.8520966 
9.698918 
1 1 1 8   -10 21 o 65.99692 4.917715  934.7807       119.6809 968.5642       
234.9985 922.9496       139.0670 66.27422 8.445813 65.71960 5.040228 0.5546188 
9.835429 
1 1 1 8   -10 22 o 60.00554 5.184897  810.9727       113.1592 749.2412       
219.4142 833.3417       132.0797 57.69856 9.057759 62.31253 5.048726 -4.613968 
10.36979 
1 1 1 8   -10 23 o 67.17514 4.305380  970.4055       113.3358 1029.323       
202.1551 943.3984       136.8689 68.18634 7.061686 66.16393 4.927248 2.022408 
8.610760 
1 1 1 8   -10 24 o 77.36649 4.305924  1341.515       132.6596 1239.401       
220.7179 1399.266       165.9861 74.38452 7.067667 80.34844 4.920570 -5.963921 
8.611848 
1 1 1 8   -10 25 o 36.66297 6.412605  351.5284       97.66159 240.9269       
179.9857 397.6801       116.2657 31.25481 11.00714 42.07113 6.582463 -10.81632 
12.82521 
1 1 1 8   -10 26 o 22.09308 6.620197  61.45707       96.62370 15.20995       
199.3213 75.66335       110.4719 23.11761 10.25794 21.06855 8.371542 2.049059 
13.24039 
1 1 1 8   -10 27 o 30.24471 7.295234  191.8541       99.54081 386.6996       
202.4328 129.7183       114.3159 36.65907 11.68779 23.83034 8.733696 12.82874 
14.59047 
1 1 1 8   -10 28 o 34.14531 6.948809  335.6802       112.9346 202.6497       
177.1183 426.8189       146.6018 27.75653 10.70817 40.53409 8.858825 -12.77756 
13.89762 
1 1 1 8   -10 29 o 24.53484 7.169463  145.4611       115.2446 119.1438       
217.1937 155.7742       135.9629 24.56750 10.82899 24.50219 9.398818 
0.6531143E-01  14.33893 
1 1 1 8   -10 30 o 22.88911 6.784591  131.9095       116.9698 -14.78552      
215.3486 193.3008       139.3118 20.41761 9.613764 25.36062 9.575921 -4.943018 
13.56918 
1 1 1 8   -9  0  o 123.1749 1.997359  3232.319       100.6357 3415.404       
130.6786 2965.504       157.7554 127.5306 2.440681 118.8193 3.162412 8.711319 
3.994718 
1 1 1 8   -9  1  o 190.0957 2.897527  7539.636       214.3957 7450.845       
257.8673 7738.434       385.8492 188.3339 3.261286 191.8576 4.790267 -3.523682 
5.795053 
1 1 1 8   -9  2  o 419.4362 6.459057  36347.29       875.7857 35909.55       
965.1837 38387.28       2083.631 413.1723 5.564162 425.7000 11.65838 -12.52765 
12.91811 
1 1 1 8   -9  3  o 115.7663 3.089250  2811.698       149.5145 2761.442       
201.5737 2873.164       222.9256 114.6247 4.188678 116.9078 4.541899 -2.283165 
6.178500 
1 1 1 8   -9  4  o 197.2200 4.213264  8179.723       345.0582 8230.989       
529.1786 8141.801       455.1233 197.7198 6.374897 196.7201 5.510631 0.9996643 
8.426528 
1 1 1 8   -9  5  o 76.06578 2.805421  1209.803       88.92618 1265.821       
135.4661 1167.384       117.8809 77.60040 4.158031 74.53117 3.767270 3.069229 
5.610841 
1 1 1 8   -9  6  f 266.2719 3.566999  15026.38       394.3305 15784.04       
528.2148 14072.55       592.6692 273.9602 4.592447 258.5835 5.459245 15.37665 
7.133998 
1 1 1 8   -9  7  o 144.5697 4.865991  4009.027       235.7845 3773.481       
260.1620 5092.161       557.8881 133.9367 4.626636 155.2027 8.561874 -21.26602 
9.731981 
1 1 1 8   -9  8  o 156.2571 5.342632  5166.220       346.2862 5097.504       
530.5519 5217.219       457.0684 155.2731 8.138658 157.2412 6.923664 -1.968094 
10.68526 
1 1 1 8   -9  9  o 150.0744 6.465131  4801.493       404.9925 4480.074       
592.4064 5083.523       554.9212 145.2348 9.715609 154.9140 8.532212 -9.679184 
12.93026 
1 1 1 8   -9  10 o 26.05232 9.601584  114.4165       138.3309 114.4165       
138.3309 0.000000       0.000000 26.05232 9.601584 ?        ?        ? ? 
1 1 1 8   -9  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -9  12 o 115.8139 5.518401  2825.725       264.3926 2989.864       
415.4431 2713.990       342.7661 118.5148 8.349489 113.1130 7.217827 5.401825 
11.03680 
1 1 1 8   -9  13 f 33.91289 7.083438  247.9284       106.1170 269.3066       
168.6373 233.9139       136.5386 35.15667 10.57230 32.66911 9.430103 2.487560 
14.16688 
1 1 1 8   -9  14 o 50.43746 5.215794  543.4208       110.0834 507.5712       
158.3996 576.9111       153.0986 48.78790 7.733267 52.08703 7.001044 -3.299137 
10.43159 
1 1 1 8   -9  15 o 117.0962 5.544074  2927.402       272.5024 2869.064       
385.9015 2985.424       384.8537 115.9100 7.930060 118.2823 7.749914 -2.372292 
11.08815 
1 1 1 8   -9  16 o 81.50731 4.900630  1363.913       164.3106 1667.193       
267.1307 1179.337       208.3960 88.50469 7.189167 74.50992 6.661873 13.99477 
9.801259 
1 1 1 8   -9  17 o 43.20811 6.305690  390.5556       115.2291 184.7012       
151.1109 676.5604       178.1158 30.09125 10.11497 56.32496 7.532212 -26.23371 
12.61138 
1 1 1 8   -9  18 f 23.41947 6.804509  42.06388       107.5896 58.52850       
154.5722 26.59046       149.8472 24.19707 9.790138 22.64188 9.452967 1.555189 
13.60902 
1 1 1 8   -9  19 o 45.50175 6.905104  469.9146       132.5639 668.5096       
187.7946 272.6714       187.1544 55.71466 8.028504 35.28883 11.23677 20.42584 
13.81021 
1 1 1 8   -9  20 o 118.9344 5.258349  3048.836       257.4496 3036.834       
332.8905 3066.699       406.1055 118.9591 6.665376 118.9097 8.134724 
0.4948425E-01  10.51670 
1 1 1 8   -9  21 o 30.68261 7.126489  162.2089       94.32068 316.7286       
195.6504 115.4240       107.6569 37.16378 11.43068 24.20144 8.513920 12.96234 
14.25298 
1 1 1 8   -9  22 o 40.44282 6.526349  367.3011       99.12724 376.3236       
195.5620 364.1813       114.9949 39.89473 11.21261 40.99091 6.682086 -1.096172 
13.05270 
1 1 1 8   -9  23 o 76.39751 4.038773  1234.382       114.4573 1320.914       
224.6367 1204.040       133.0191 77.66576 6.889255 75.12926 4.217217 2.536499 
8.077546 
1 1 1 8   -9  24 o 19.99414 6.142395  -58.06027      82.12128 128.4200       
175.5727 -110.2823      92.91110 26.99541 10.60814 12.99286 6.195440 14.00255 
12.28479 
1 1 1 8   -9  25 o 34.00005 6.662060  249.4627       92.10778 386.2768       
171.5557 194.0524       109.1780 39.36375 10.27266 28.63634 8.485559 10.72741 
13.32412 
1 1 1 8   -9  26 o 56.67365 5.274993  690.5186       109.1011 838.9509       
224.0750 644.3959       124.9068 59.30365 8.999804 54.04363 5.505065 5.260021 
10.54999 
1 1 1 8   -9  27 o 23.62289 6.755828  11.60363       95.91454 268.8981       
196.7378 -68.61712      109.8540 31.87641 11.47940 15.36937 7.126585 16.50704 
13.51166 
1 1 1 8   -9  28 o 22.54265 6.569901  87.56724       95.73120 73.02345       
173.1828 93.96664       114.8778 23.23853 9.949950 21.84677 8.582125 1.391768 
13.13980 
1 1 1 8   -9  29 o 44.71429 5.704990  502.0361       98.25249 490.6484       
167.6581 507.9927       121.2559 42.65775 9.594524 46.77082 6.175173 -4.113068 
11.40998 
1 1 1 8   -9  30 o 33.66720 7.704202  337.5121       114.8645 435.6368       
223.1351 302.1349       133.9802 34.89852 12.25922 32.43587 9.334370 2.462650 
15.40840 
1 1 1 8   -9  31 o 40.33828 7.494269  501.3442       118.6839 593.5065       
232.1662 468.7389       138.0911 39.34215 12.51406 41.33441 8.249521 -1.992256 
14.98854 
1 1 1 8   -8  0  o 227.6482 3.252603  10735.18       295.9445 10396.63       
363.5654 11400.06       509.4972 222.4462 3.892948 232.8502 5.211782 -10.40401 
6.505207 
1 1 1 8   -8  1  o 175.3205 3.258193  6483.036       207.5833 6505.594       
239.8637 6415.738       414.3015 175.9869 3.246424 174.6541 5.650134 1.332764 
6.516386 
1 1 1 8   -8  2  o 429.6342 8.631955  39041.84       1551.026 39807.29       
2305.920 38409.39       2096.036 433.3205 12.67524 425.9480 11.72096 7.372559 
17.26391 
1 1 1 8   -8  3  o 133.2523 2.952132  3740.008       164.6067 3609.849       
240.3053 3855.067       225.9367 131.0562 4.367439 135.4485 3.973138 -4.392303 
5.904265 
1 1 1 8   -8  4  o 87.59358 2.867458  1612.589       104.9650 1610.060       
156.0459 1614.679       141.8530 87.52625 4.246537 87.66091 3.854371 
-0.1346588     5.734915 
1 1 1 8   -8  5  o 92.10173 2.854867  1768.361       109.8820 1636.896       
147.0223 1934.719       165.3869 88.25681 3.967857 95.94666 4.105748 -7.689857 
5.709733 
1 1 1 8   -8  6  o 231.6520 4.488185  11247.70       408.9371 11444.51       
719.9991 11153.98       496.8557 233.0212 7.359657 230.2829 5.139132 2.738312 
8.976370 
1 1 1 8   -8  7  o 81.02692 3.029133  1377.478       102.9223 1472.916       
149.1042 1290.618       142.2462 83.70348 4.242947 78.35036 4.324348 5.353119 
6.058266 
1 1 1 8   -8  8  o 183.2215 6.068073  6535.317       365.0052 6227.309       
401.0528 8021.333       880.9104 171.9948 5.554017 194.4481 10.79069 -22.45328 
12.13615 
1 1 1 8   -8  9  o 259.7552 9.423478  14398.06       989.5397 14523.27       
1638.779 14326.21       1241.401 260.0106 15.01241 259.4998 11.39453 0.5108337 
18.84696 
1 1 1 8   -8  10 f 44.94043 5.810362  421.8195       105.5571 597.3035       
163.7324 297.0084       138.0838 53.17135 7.334629 36.70951 9.013570 16.46184 
11.62072 
1 1 1 8   -8  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -8  12 o 90.41909 5.590273  1725.198       212.2130 0.000000       
0.000000 1725.198       212.2130 ?        ?        90.41909 5.590273 ? ? 
1 1 1 8   -8  13 o 205.3365 8.172021  9016.035       657.6759 8892.564       
796.4701 9280.648       1165.982 204.0791 9.295912 206.5938 13.44298 -2.514679 
16.34404 
1 1 1 8   -8  14 o 157.0785 6.636697  5301.274       434.2947 5421.286       
583.3615 5152.060       650.4761 159.2944 8.722849 154.8626 10.00474 4.431824 
13.27339 
1 1 1 8   -8  15 o 105.9576 4.999168  2322.402       205.0526 2557.911       
378.2726 2224.401       244.0146 109.4104 8.235068 102.5047 5.670131 6.905716 
9.998337 
1 1 1 8   -8  16 o 109.4911 5.316625  2555.636       244.3776 2559.548       
347.8518 2551.823       343.3954 109.5642 7.562174 109.4181 7.475262 0.1460953 
10.63325 
1 1 1 8   -8  17 o 99.30360 4.963347  2008.026       200.7489 1753.852       
249.6993 2472.580       337.5748 90.88255 6.544221 107.7247 7.464075 -16.84211 
9.926694 
1 1 1 8   -8  18 o 136.6549 5.086037  3885.691       287.6847 3455.135       
370.7760 4536.985       456.0220 127.4332 6.930269 145.8766 7.445969 -18.44341 
10.17207 
1 1 1 8   -8  19 o 162.2268 6.810837  5692.393       463.3939 6035.717       
660.3452 5359.288       650.4430 167.1554 9.409612 157.2982 9.849325 9.857162 
13.62167 
1 1 1 8   -8  20 o 66.78246 5.640300  982.8583       152.0871 680.8259       
214.8571 1286.168       215.3108 55.98901 9.140461 77.57590 6.610892 -21.58689 
11.28060 
1 1 1 8   -8  21 o 29.79001 7.353438  172.1297       103.5582 198.5402       
201.1833 162.6094       120.7896 31.93878 11.59781 27.64124 9.043400 4.297543 
14.70688 
1 1 1 8   -8  22 o 42.96714 6.094278  418.3556       97.93941 398.3054       
182.6216 426.4505       116.0379 41.39006 10.49100 44.54423 6.204825 -3.154175 
12.18856 
1 1 1 8   -8  23 o 118.7101 4.283199  3030.593       203.5855 3072.703       
344.5927 3008.015       252.3315 118.8612 6.905369 118.5589 5.069422 0.3023376 
8.566398 
1 1 1 8   -8  24 o 39.64032 5.883609  358.5273       90.96585 354.8861       
159.6557 360.2774       110.6897 38.65916 9.815392 40.62147 6.490418 -1.962311 
11.76722 
1 1 1 8   -8  25 o 74.39342 4.448606  1221.161       123.2840 1204.815       
234.8175 1227.381       144.8543 73.25549 7.635039 75.53135 4.567991 -2.275856 
8.897211 
1 1 1 8   -8  26 o 21.04098 6.387591  29.05099       98.44418 -106.8616      
196.0324 74.88536       113.8397 20.53334 9.520656 21.54861 8.518356 -1.015270 
12.77518 
1 1 1 8   -8  27 o 72.23062 5.072121  1278.344       130.6971 1002.916       
245.2211 1387.627       154.4646 64.63474 9.036765 79.82651 4.608959 -15.19177 
10.14424 
1 1 1 8   -8  28 o 21.84245 6.518970  60.09068       95.06955 66.01933       
177.2648 57.69687       112.6392 23.48596 10.06156 20.19894 8.291736 3.287022 
13.03794 
1 1 1 8   -8  29 o 19.17147 5.777890  18.06247       89.16718 -139.2182      
153.7418 97.78479       109.4572 16.58196 7.921735 21.76098 8.413214 -5.179016 
11.55578 
1 1 1 8   -8  30 o 20.29411 6.373750  30.52149       100.1508 22.38803       
189.7768 33.66099       117.9059 21.71201 9.802822 18.87621 8.148831 2.835806 
12.74750 
1 1 1 8   -8  31 o 26.11444 7.101926  186.2331       103.1311 278.5936       
185.7262 145.0586       124.0064 28.90736 11.01500 23.32151 8.967673 5.585855 
14.20385 
1 1 1 8   -7  0  o 131.1461 2.597973  3561.373       122.3274 3514.397       
139.9524 3713.437       251.8010 129.3656 2.576811 132.9266 4.511973 -3.561005 
5.195946 
1 1 1 8   -7  1  o 274.9517 4.488371  16170.06       463.7970 15309.48       
868.2982 16513.61       548.6171 269.6017 7.671271 280.3016 4.661920 -10.69986 
8.976742 
1 1 1 8   -7  2  o 272.9095 5.730643  15688.51       656.4678 15292.67       
918.6659 16101.56       938.4208 269.3907 8.122619 276.4282 8.086047 -7.037506 
11.46129 
1 1 1 8   -7  3  o 105.1291 2.614392  2219.797       102.5770 2545.666       
203.3331 2108.552       118.8024 110.0589 4.400519 100.1992 2.824113 9.859718 
5.228784 
1 1 1 8   -7  4  f 451.0001 9.225048  43135.22       1742.474 43020.96       
2381.418 43266.89       2556.331 450.5175 12.59056 451.4827 13.48643 
-0.9652405     18.45010 
1 1 1 8   -7  5  o 187.7470 4.049674  7426.585       317.6530 7541.778       
430.4355 7288.822       470.7209 189.3690 5.414026 186.1250 6.023931 3.243988 
8.099347 
1 1 1 8   -7  6  o 57.66251 3.214658  691.7109       77.08247 841.7514       
115.0152 569.3666       103.8587 63.28424 4.328931 52.04077 4.753572 11.24347 
6.429315 
1 1 1 8   -7  7  o 261.1423 5.718184  14326.71       619.0857 14729.33       
959.9288 14039.99       810.0643 264.1828 8.654769 258.1018 7.475661 6.081055 
11.43637 
1 1 1 8   -7  8  o 330.0316 4.546904  22959.95       596.0922 23004.29       
733.1979 22873.50       1023.757 330.6764 5.281279 329.3867 7.403069 1.289673 
9.093807 
1 1 1 8   -7  9  o 91.26256 3.816922  1638.425       131.7029 1505.944       
152.9291 2018.780       259.1239 84.63022 4.304134 97.89490 6.304760 -13.26468 
7.633843 
1 1 1 8   -7  10 o 168.0084 5.792208  5992.670       405.2213 5725.652       
605.3170 6209.508       545.4813 164.5201 8.763647 171.4967 7.576092 -6.976547 
11.58442 
1 1 1 8   -7  11 o 116.3007 6.646521  2853.942       324.5306 2853.942       
324.5306 0.000000       0.000000 116.3007 6.646521 ?        ?        ? ? 
1 1 1 8   -7  12 o 68.45516 5.789093  988.2559       166.3779 0.000000       
0.000000 988.2559       166.3779 ?        ?        68.45516 5.789093 ? ? 
1 1 1 8   -7  13 o 44.25186 6.273444  431.2418       112.4106 439.4988       
155.6004 422.2281       162.5740 44.76141 8.586250 43.74231 9.148808 1.019108 
12.54689 
1 1 1 8   -7  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -7  15 o 135.6661 6.125900  3932.535       348.7184 3959.706       
486.0997 3903.727       500.5421 136.1925 8.501455 135.1397 8.822236 1.052780 
12.25180 
1 1 1 8   -7  16 o 126.5463 5.795158  3418.708       307.6108 3220.986       
428.8243 3628.300       441.5078 122.7459 8.321342 130.3467 8.067882 -7.600761 
11.59032 
1 1 1 8   -7  17 o 23.49660 6.646149  59.72866       100.3668 102.2336       
127.2043 -10.37797      163.3660 24.70946 9.187932 22.28374 9.605577 2.425724 
13.29230 
1 1 1 8   -7  18 o 88.91526 4.665401  1678.960       174.1028 1684.196       
249.5529 1673.995       243.0145 89.03803 6.675873 88.79249 6.518941 0.2455444 
9.330803 
1 1 1 8   -7  19 o 97.83240 4.672112  1995.556       188.0938 2225.442       
303.3961 1852.037       239.7222 102.2343 7.068615 93.43050 6.111399 8.803810 
9.344224 
1 1 1 8   -7  20 o 220.5095 7.878882  10637.60       710.6865 10642.29       
1138.577 10634.61       909.6509 219.5228 12.35389 221.4961 9.782047 -1.973312 
15.75776 
1 1 1 8   -7  21 o 82.09465 4.483286  1458.992       141.7704 1388.301       
254.3710 1490.844       170.7489 80.34134 7.541358 83.84797 4.850498 -3.506630 
8.966573 
1 1 1 8   -7  22 o 84.62206 4.686254  1517.265       147.4147 1585.456       
286.9793 1492.822       171.8153 85.44990 7.999451 83.79423 4.883922 1.655670 
9.372508 
1 1 1 8   -7  23 o 70.19144 4.431155  1125.622       122.1282 806.5281       
191.1717 1345.645       158.7442 60.89629 7.477455 79.48658 4.756913 -18.59029 
8.862310 
1 1 1 8   -7  24 o 110.6092 4.032956  2575.033       181.5302 2876.482       
302.2541 2404.948       227.0380 115.2788 6.245163 105.9396 5.104594 9.339172 
8.065912 
1 1 1 8   -7  25 o 24.19764 6.759646  95.81495       93.10586 30.91598       
195.9009 114.7520       105.8214 24.63901 10.56711 23.75628 8.432528 0.8827343 
13.51929 
1 1 1 8   -7  26 o 114.4940 5.047084  2943.621       224.3054 2878.712       
397.4104 2973.967       271.7242 112.1939 8.437055 116.7942 5.541512 -4.600227 
10.09417 
1 1 1 8   -7  27 o 21.68847 6.612302  6.413309       95.02836 117.0818       
193.5525 -28.73628      109.0805 26.59590 10.88536 16.78103 7.509939 9.814867 
13.22460 
1 1 1 8   -7  28 o 83.31140 4.334238  1640.252       137.0460 1328.848       
237.5659 1795.571       167.7775 75.74835 7.470197 90.87444 4.397572 -15.12609 
8.668476 
1 1 1 8   -7  29 o 20.73820 6.255138  42.75204       93.63885 59.46102       
152.1467 32.56399       118.8046 22.09383 9.388562 19.38258 8.268127 2.711250 
12.51028 
1 1 1 8   -7  30 o 47.68714 6.224715  562.4431       109.6586 615.0739       
206.4442 541.7567       129.4273 47.05704 10.69015 48.31723 6.380358 -1.260185 
12.44943 
1 1 1 8   -7  31 o 40.59192 6.298319  431.9438       92.33387 454.1021       
190.1134 425.1034       105.6285 38.48063 11.13387 42.70321 5.891715 -4.222572 
12.59664 
1 1 1 8   -7  32 o 20.95063 6.673405  53.77821       109.3356 125.2265       
217.2174 29.53371       126.5334 23.51710 10.55920 18.38416 8.163374 5.132933 
13.34681 
1 1 1 8   -6  0  o 205.3891 3.000688  8871.759       243.9629 8887.188       
298.9551 8841.002       422.0968 205.6907 3.461883 205.0876 4.902231 0.6030884 
6.001375 
1 1 1 8   -6  1  o 19.35987 4.848828  67.84765       49.45537 60.40842       
70.87003 74.90899       69.04652 18.87682 6.880692 19.84292 6.833786 
-0.9661045     9.697657 
1 1 1 8   -6  2  o 220.3397 4.345822  10175.66       400.9698 10713.60       
593.6498 9724.367       543.7449 225.6661 6.265924 215.0134 6.023526 10.65271 
8.691644 
1 1 1 8   -6  3  o 76.03185 2.754081  1201.935       87.27644 1426.791       
130.3808 1019.376       117.4799 82.41009 3.768377 69.65362 4.017361 12.75647 
5.508162 
1 1 1 8   -6  4  o 310.2791 4.246233  20507.29       523.0156 19450.20       
887.9413 21068.88       647.2019 303.9680 6.957888 316.5901 4.869266 -12.62213 
8.492465 
1 1 1 8   -6  5  o 209.4537 4.773068  9233.929       419.1885 9243.267       
608.5236 9225.495       578.2765 209.5402 6.917213 209.3672 6.578820 0.1730042 
9.546136 
1 1 1 8   -6  6  o 342.2189 7.469476  24759.86       1071.972 24637.14       
1551.131 24872.05       1483.147 341.3483 10.82360 343.0894 10.29670 -1.741119 
14.93895 
1 1 1 8   -6  7  o 323.9002 5.561373  21946.50       560.8213 22358.53       
1387.353 21866.01       613.1515 325.2698 10.15931 322.5305 4.528121 2.739319 
11.12275 
1 1 1 8   -6  8  o 147.0067 3.094984  4457.115       181.6521 4278.063       
222.4853 4815.142       314.6086 142.6890 3.713915 151.3244 4.952023 -8.635452 
6.189967 
1 1 1 8   -6  9  o 220.4821 3.873019  10310.29       343.1184 9939.209       
570.2115 10520.92       429.5999 217.2705 6.251098 223.6937 4.574373 -6.423187 
7.746039 
1 1 1 8   -6  10 f 222.1288 7.975677  9595.945       471.4383 9357.006       
498.0136 11657.21       1462.730 210.8392 5.626145 233.4185 14.92623 -22.57932 
15.95135 
1 1 1 8   -6  11 o 208.5475 7.828920  9185.991       679.3179 8854.752       
895.6297 9634.675       1042.385 204.2847 10.44272 212.8102 11.66694 -8.525406 
15.65784 
1 1 1 8   -6  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -6  13 o 68.43423 6.670943  989.1409       191.6636 0.000000       
0.000000 989.1409       191.6636 ?        ?        68.43423 6.670943 ? ? 
1 1 1 8   -6  14 o 62.36207 5.176369  830.2993       134.1679 766.2550       
199.5793 883.1082       181.2294 60.10393 7.909223 64.62021 6.680073 -4.516281 
10.35274 
1 1 1 8   -6  15 o 25.05532 10.00141  70.17286       158.3376 0.000000       
0.000000 70.17286       158.3376 ?        ?        25.05532 10.00141 ? ? 
1 1 1 8   -6  16 o 112.0083 5.194518  2668.489       244.1526 2708.536       
341.6590 2626.696       349.0268 112.8938 7.208482 111.1227 7.481298 1.771057 
10.38904 
1 1 1 8   -6  17 o 107.7254 4.431744  2453.307       197.5572 2412.780       
257.4981 2511.296       308.0158 106.7374 5.746171 108.7135 6.748551 -1.976143 
8.863488 
1 1 1 8   -6  18 o 135.7540 5.360198  3928.738       305.4818 3875.797       
429.3799 3983.000       434.7025 134.8266 7.585552 136.6813 7.575373 -1.854736 
10.72040 
1 1 1 8   -6  19 o 44.15138 6.796095  433.3783       120.7429 428.4407       
156.5573 440.6266       189.6843 43.98316 8.789104 44.31960 10.36819 
-0.3364410     13.59219 
1 1 1 8   -6  20 o 206.7763 8.646495  9352.328       747.6995 9182.791       
1010.217 9557.712       1111.895 205.0512 11.73474 208.5014 12.70210 -3.450256 
17.29299 
1 1 1 8   -6  21 o 73.15710 4.464512  1157.172       129.5644 1083.528       
219.1362 1196.752       160.6525 71.15884 7.335105 75.15536 5.091534 -3.996513 
8.929025 
1 1 1 8   -6  22 o 128.4452 4.434665  3531.592       234.3858 3494.337       
368.8213 3556.830       303.5688 127.6440 6.882351 129.2464 5.594483 -1.602402 
8.869329 
1 1 1 8   -6  23 o 91.30907 4.240955  1736.842       143.2271 1890.040       
283.8941 1684.536       165.8860 93.52715 7.230025 89.09098 4.435036 4.436165 
8.481911 
1 1 1 8   -6  24 o 90.74390 4.093855  1628.807       139.5770 2090.208       
279.0673 1474.879       161.1863 98.26738 6.764266 83.22041 4.613382 15.04697 
8.187710 
1 1 1 8   -6  25 o 124.2859 5.161433  3392.676       241.2195 3379.729       
454.0536 3397.767       284.7221 122.8966 8.800114 125.6753 5.396254 -2.778687 
10.32287 
1 1 1 8   -6  26 o 46.09361 5.857642  409.6563       100.2092 676.9130       
205.5318 326.3134       114.7755 54.45835 8.989501 37.72887 7.512439 16.72948 
11.71528 
1 1 1 8   -6  27 o 85.94815 4.455369  1627.826       144.2538 1643.734       
271.3975 1621.562       170.3026 85.26846 7.581209 86.62783 4.682576 -1.359367 
8.910738 
1 1 1 8   -6  28 o 38.11404 6.535725  352.7555       97.00218 371.3248       
178.9102 345.0241       115.4431 37.89092 10.74895 38.33715 7.437939 
-0.4462357     13.07145 
1 1 1 8   -6  29 o 46.08839 5.904490  551.7261       102.3213 392.9820       
171.4930 639.4758       127.5030 38.64614 10.35689 53.53064 5.673342 -14.88450 
11.80898 
1 1 1 8   -6  30 o 45.67007 5.766056  392.3387       94.26480 804.9044       
208.9637 286.9332       105.6223 57.09048 8.718225 34.24965 7.548652 22.84084 
11.53211 
1 1 1 8   -6  31 o 38.61926 6.405495  417.2341       97.46094 325.1939       
186.1399 451.9966       114.3947 33.09041 11.22630 44.14812 6.171843 -11.05771 
12.81099 
1 1 1 8   -6  32 o 30.02645 6.704449  292.0999       109.0143 76.50892       
220.0584 362.2148       125.4954 23.23506 10.51970 36.81784 8.314707 -13.58278 
13.40890 
1 1 1 8   -6  33 f 30.85892 7.547087  337.1588       122.9744 275.5919       
228.0403 362.4046       146.0269 27.40249 11.56188 34.31535 9.703454 -6.912857 
15.09417 
1 1 1 8   -5  0  o 77.82193 2.346164  1272.983       76.58893 1244.449       
109.8365 1299.988       106.8513 76.97136 3.398903 78.67249 3.235029 -1.701134 
4.692329 
1 1 1 8   -5  1  o 168.6227 3.317902  5998.200       219.5116 6039.302       
267.0862 5912.648       385.3330 169.5523 3.752052 167.6931 5.473208 1.859177 
6.635804 
1 1 1 8   -5  2  o 269.2941 4.542713  15187.74       511.6756 16030.12       
764.3196 14503.62       688.7961 276.0135 6.595773 262.5746 6.248258 13.43890 
9.085425 
1 1 1 8   -5  3  o 177.7305 3.552150  6675.372       257.9029 6483.899       
412.6395 6798.115       330.3827 175.5982 5.597212 179.8628 4.375190 -4.264633 
7.104300 
1 1 1 8   -5  4  o 346.0431 5.283344  24931.12       584.0231 24779.19       
642.3484 25655.56       1402.688 343.3828 4.455671 348.7034 9.581331 -5.320587 
10.56669 
1 1 1 8   -5  5  o 112.5388 2.932173  2659.437       138.4829 2600.271       
192.5288 2722.862       199.3374 111.2434 4.122326 113.8342 4.170969 -2.590797 
5.864347 
1 1 1 8   -5  6  o 271.2304 6.104630  15500.26       694.4348 15298.34       
957.9581 15723.88       1008.119 269.3922 8.469983 273.0686 8.793486 -3.676361 
12.20926 
1 1 1 8   -5  7  o 182.9716 4.318368  7038.131       330.7362 7115.095       
488.1472 6972.820       449.6804 183.8806 6.323187 182.0626 5.883072 1.817917 
8.636737 
1 1 1 8   -5  8  o 317.6013 5.194277  21451.61       550.6110 21586.50       
615.4409 20910.61       1232.494 320.4617 4.574370 314.7410 9.327229 5.720703 
10.38855 
1 1 1 8   -5  9  o 159.6758 3.894155  5353.792       260.3217 5484.952       
384.7318 5243.035       353.5434 161.4661 5.675417 157.8855 5.333612 3.580551 
7.788310 
1 1 1 8   -5  10 o 316.3789 8.019792  20430.37       941.1861 19590.78       
1088.673 22914.66       1872.680 304.6567 8.511530 328.1011 13.59493 -23.44434 
16.03958 
1 1 1 8   -5  11 o 184.0691 6.727095  7167.150       519.7768 7188.018       
742.2608 7147.071       728.0947 184.3202 9.591899 183.8179 9.434548 0.5023193 
13.45419 
1 1 1 8   -5  12 o 60.84726 7.179111  781.1581       183.3963 781.1581       
183.3963 0.000000       0.000000 60.84726 7.179111 ?        ?        ? ? 
1 1 1 8   -5  13 o 133.2202 6.480412  3743.783       362.4530 0.000000       
0.000000 3743.783       362.4530 ?        ?        133.2202 6.480412 ? ? 
1 1 1 8   -5  14 o 85.47332 4.332404  1546.852       153.4447 1240.566       
213.3309 1875.177       220.8727 76.63860 6.630209 94.30804 5.578460 -17.66943 
8.664807 
1 1 1 8   -5  15 o 112.2246 5.129062  2653.960       240.9861 2485.269       
326.3026 2856.374       357.4325 108.3324 7.174361 116.1168 7.331961 -7.784393 
10.25812 
1 1 1 8   -5  16 o 71.61595 4.690274  1080.331       139.9436 1133.880       
213.4910 1039.986       185.3081 73.13146 6.953386 70.10045 6.296435 3.031013 
9.380548 
1 1 1 8   -5  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -5  18 o 121.0354 4.918393  3117.031       247.9336 3105.091       
374.5249 3126.346       330.7950 120.7279 7.389145 121.3430 6.493297 
-0.6151581     9.836786 
1 1 1 8   -5  19 o 142.0378 5.994347  4292.096       352.9544 4163.342       
460.9231 4474.628       548.8058 139.6675 7.860569 144.4080 9.052083 -4.740448 
11.98869 
1 1 1 8   -5  20 o 186.6061 6.711009  7444.040       473.6210 7596.159       
891.6433 7384.250       559.0029 186.9549 11.35992 186.2573 7.148615 0.6976166 
13.42202 
1 1 1 8   -5  21 o 164.1734 5.806278  5830.683       346.1195 5658.145       
685.5845 5889.702       400.9702 161.6776 10.10025 166.6692 5.730307 -4.991531 
11.61256 
1 1 1 8   -5  22 o 118.4992 4.399956  3022.817       203.2339 2904.930       
358.0855 3078.835       246.8424 116.4416 7.324867 120.5567 4.876963 -4.115158 
8.799911 
1 1 1 8   -5  23 o 19.49453 6.032102  -33.44112      97.72311 -302.4252      
197.6433 53.59644       112.4274 17.84292 8.628425 21.14614 8.431804 -3.303228 
12.06420 
1 1 1 8   -5  24 f 34.02649 6.588624  198.0931       95.58272 458.0828       
181.3459 98.08246       112.4742 44.62754 9.937459 23.42543 8.653713 21.20211 
13.17725 
1 1 1 8   -5  25 o 36.01984 6.219910  172.7342       96.79082 624.9031       
197.9717 30.69815       110.9563 52.25158 9.363650 19.78811 8.189700 32.46347 
12.43982 
1 1 1 8   -5  26 o 53.89088 5.776129  654.2674       113.0192 654.8203       
213.8336 654.0531       133.1345 52.79900 10.00955 54.98277 5.767467 -2.183765 
11.55226 
1 1 1 8   -5  27 o 36.39520 7.053510  310.0491       101.1888 337.0512       
201.0626 300.8903       117.0991 36.86211 11.63760 35.92828 7.973346 0.9338303 
14.10702 
1 1 1 8   -5  28 o 46.45400 5.269850  454.2242       96.52423 654.4722       
168.7993 356.9322       117.6589 53.71260 7.485408 39.19540 7.419834 14.51720 
10.53970 
1 1 1 8   -5  29 o 36.19728 6.434367  345.9038       98.31232 232.9714       
179.9644 393.9424       117.3742 30.67808 10.98596 41.71649 6.701713 -11.03841 
12.86873 
1 1 1 8   -5  30 o 59.40118 4.700984  782.5825       109.0378 884.0842       
197.7093 738.2152       130.7139 61.23020 7.690993 57.57216 5.407922 3.658039 
9.401968 
1 1 1 8   -5  31 o 25.39933 6.862243  153.4540       99.91084 107.7384       
183.8454 172.6144       119.0206 24.60582 10.38153 26.19285 8.976933 -1.587036 
13.72449 
1 1 1 8   -5  32 o 90.09534 4.940559  1880.557       149.7527 2065.133       
331.7924 1833.338       167.8183 89.31847 8.848022 90.87222 4.398751 -1.553757 
9.881118 
1 1 1 8   -5  33 o 19.06712 6.352279  -48.66528      114.3534 68.52753       
219.7354 -92.19355      133.9168 22.54018 10.30083 15.59406 7.436309 6.946115 
12.70456 
1 1 1 8   -4  0  o 237.4573 3.929411  12153.37       356.3044 12606.41       
427.8137 11127.64       643.7305 244.9471 4.160098 229.9675 6.667435 14.97957 
7.858823 
1 1 1 8   -4  1  o 282.2012 5.268357  16846.66       608.3042 16401.12       
969.6286 17135.82       781.1481 279.0125 8.277569 285.3898 6.519525 -6.377289 
10.53671 
1 1 1 8   -4  2  o 362.2397 4.026623  27691.18       607.6718 28466.10       
817.1394 26732.40       908.9251 367.9727 5.289341 356.5067 6.072695 11.46603 
8.053246 
1 1 1 8   -4  3  o 466.1466 9.312715  46014.26       1819.983 46486.87       
2650.766 45592.78       2503.254 468.3066 13.48224 463.9866 12.85052 4.319977 
18.62543 
1 1 1 8   -4  4  o 255.9117 4.809001  13862.54       490.7023 14043.89       
607.7248 13522.81       831.7731 258.4338 5.601170 253.3895 7.818750 5.044266 
9.618002 
1 1 1 8   -4  5  o 196.2671 4.215835  8105.535       346.6114 8048.029       
506.4199 8156.214       475.4130 195.5985 6.166893 196.9357 5.749999 -1.337189 
8.431669 
1 1 1 8   -4  6  o 247.5606 4.714255  12883.99       478.1364 12836.59       
612.0762 12958.21       765.8555 247.0440 5.901363 248.0772 7.353279 -1.033249 
9.428510 
1 1 1 8   -4  7  o 342.3294 6.976374  24751.30       1000.130 24915.08       
1369.254 24563.98       1464.324 343.6157 9.491436 341.0431 10.22701 2.572632 
13.95275 
1 1 1 8   -4  8  o 61.95507 2.987967  801.1622       77.31454 858.3869       
116.7581 756.4767       103.1758 63.90992 4.351509 60.00023 4.095870 3.909691 
5.975933 
1 1 1 8   -4  9  o 149.2130 3.472625  4642.918       205.2234 4794.686       
357.7562 4568.484       250.5452 150.9790 5.644060 147.4469 4.047355 3.532074 
6.945250 
1 1 1 8   -4  10 o 245.4023 5.456275  12690.04       562.0798 12451.55       
787.7694 12937.36       802.2294 243.0538 7.720009 247.7509 7.712665 -4.697113 
10.91255 
1 1 1 8   -4  11 o 149.6253 5.106030  4733.898       317.4601 4834.904       
422.4513 4602.862       481.1709 151.5104 6.641332 147.7401 7.757504 3.770340 
10.21206 
1 1 1 8   -4  12 o 173.3158 9.508055  6354.915       691.8451 6354.915       
691.8451 0.000000       0.000000 173.3158 9.508055 ?        ?        ? ? 
1 1 1 8   -4  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -4  14 o 110.0280 5.410144  2556.320       249.5580 2370.853       
347.2107 2754.526       358.9380 105.8879 7.810298 114.1681 7.488515 -8.280167 
10.82029 
1 1 1 8   -4  15 o 217.8696 8.490432  10129.37       765.7296 10432.13       
1193.584 9917.605       998.2249 220.2771 12.90639 215.4620 11.03516 4.815079 
16.98086 
1 1 1 8   -4  16 o 28.73896 6.892118  125.8545       112.0373 -25.96865      
156.2501 286.5172       160.7344 21.36619 9.304189 36.11174 10.17041 -14.74555 
13.78424 
1 1 1 8   -4  17 o 46.72228 5.712509  470.5134       109.5527 516.0732       
158.8495 429.1874       151.2886 49.27153 7.679108 44.17302 8.459453 5.098511 
11.42502 
1 1 1 8   -4  18 o 90.20599 6.312352  1725.319       239.0592 0.000000       
0.000000 1725.319       239.0592 ?        ?        90.20599 6.312352 ? ? 
1 1 1 8   -4  19 o 137.3723 5.791287  4042.518       331.3816 4103.340       
443.8656 3965.925       498.0975 138.7087 7.622000 136.0360 8.721305 2.672638 
11.58257 
1 1 1 8   -4  20 o 204.2684 6.179202  8937.583       520.0341 8946.668       
817.5593 8931.408       673.9491 203.9567 9.547778 204.5801 7.846660 
-0.6233673     12.35840 
1 1 1 8   -4  21 o 59.94302 4.948821  700.2484       113.2193 923.4841       
221.4510 621.2473       131.7383 65.73837 8.023794 54.14767 5.795000 11.59069 
9.897641 
1 1 1 8   -4  22 o 178.3771 5.358821  6793.616       380.0350 6834.924       
652.1098 6772.372       467.6596 178.2619 8.713314 178.4922 6.240674 
-0.2303772     10.71764 
1 1 1 8   -4  23 o 95.17163 4.018829  1875.504       153.1303 2096.397       
265.2121 1765.036       187.5517 99.10033 6.374399 91.24294 4.896016 7.857399 
8.037658 
1 1 1 8   -4  24 o 114.0462 4.260678  2749.939       196.9942 2906.397       
327.6163 2661.335       246.5427 116.3018 6.709657 111.7907 5.253000 4.511032 
8.521357 
1 1 1 8   -4  25 f 90.12151 4.108168  1739.928       149.5940 1746.557       
247.6691 1736.121       187.7015 89.99928 6.554715 90.24374 4.954178 
-0.2444687     8.216335 
1 1 1 8   -4  26 o 49.40359 5.756976  542.4630       104.4836 556.5600       
195.9990 536.8667       123.4938 48.91430 9.890046 49.89288 5.895597 
-0.9785767     11.51395 
1 1 1 8   -4  27 o 44.40331 5.486683  402.7592       95.72859 610.2072       
169.5021 305.6034       115.9991 52.37724 7.708210 36.42937 7.810138 15.94787 
10.97337 
1 1 1 8   -4  28 o 31.83249 6.996883  224.5300       97.00109 306.1489       
176.6779 189.3116       116.0572 35.20869 10.86903 28.45629 8.814175 6.752398 
13.99377 
1 1 1 8   -4  29 o 96.69878 4.092616  2063.540       156.4606 2068.438       
270.2416 2061.071       191.8934 95.96324 6.707619 97.43431 4.691041 -1.471069 
8.185231 
1 1 1 8   -4  30 o 30.43477 6.874319  201.5480       90.82849 331.0722       
175.7188 154.3241       106.1021 35.34056 10.82527 25.52898 8.475765 9.811579 
13.74864 
1 1 1 8   -4  31 o 30.89883 6.784931  269.8379       102.4367 109.5716       
209.3143 320.3109       117.4647 25.75213 10.97960 36.04552 7.974308 -10.29339 
13.56986 
1 1 1 8   -4  32 o 71.23030 5.132513  1202.180       129.4718 1223.851       
263.1544 1195.259       148.7163 69.23042 9.053879 73.23019 4.837151 -3.999779 
10.26503 
1 1 1 8   -4  33 o 56.11139 6.517305  911.3178       124.7713 667.5238       
230.9540 1011.799       148.2710 45.83227 11.89974 66.39050 5.319504 -20.55824 
13.03461 
1 1 1 8   -4  34 o 25.65182 7.335992  204.6743       116.6240 144.7163       
276.2453 217.6786       128.6510 24.48055 11.33205 26.82309 9.319427 -2.342535 
14.67198 
1 1 1 8   -3  0  o 334.6590 5.061505  23563.26       709.3992 23712.72       
1041.915 23434.10       968.5786 335.6177 7.394493 333.7002 6.913524 1.917542 
10.12301 
1 1 1 8   -3  1  o 281.0010 4.496049  16552.78       421.1162 16705.94       
952.9073 16515.61       469.4453 281.6256 8.059343 280.3765 3.988085 1.249054 
8.992099 
1 1 1 8   -3  2  o 250.6704 3.047153  13200.67       320.5375 12657.36       
449.9417 13760.55       456.7521 245.4310 4.366645 255.9098 4.251231 -10.47887 
6.094305 
1 1 1 8   -3  3  o 323.9168 4.027942  22115.76       530.6852 22279.33       
673.1897 21847.25       862.5208 325.5728 4.925047 322.2609 6.375042 3.311951 
8.055883 
1 1 1 8   -3  4  o 174.9868 3.797058  6439.010       278.8600 6377.251       
398.4235 6498.316       390.4330 174.1601 5.449007 175.8135 5.289510 -1.653366 
7.594116 
1 1 1 8   -3  5  o 238.7314 4.576854  11997.42       438.7379 12013.59       
546.1213 11968.00       736.7814 239.0372 5.441827 238.4255 7.360494 0.6116791 
9.153708 
1 1 1 8   -3  6  o 219.8666 4.098749  10293.10       345.9574 9850.560       
626.8620 10486.92       414.8576 216.3416 6.901650 223.3916 4.423370 -7.050018 
8.197498 
1 1 1 8   -3  7  o 156.9088 3.188364  5189.622       180.8212 5143.668       
363.9600 5204.681       208.3540 156.4005 5.542893 157.4170 3.152618 -1.016449 
6.376729 
1 1 1 8   -3  8  o 348.9927 5.838485  25379.61       616.1213 25253.48       
668.8284 26086.55       1583.446 346.6339 4.595838 351.3515 10.73452 -4.717529 
11.67697 
1 1 1 8   -3  9  o 57.10152 3.204758  685.1209       76.68376 688.2433       
112.0552 682.3705       105.1667 57.22176 4.664356 56.98128 4.396097 0.2404823 
6.409515 
1 1 1 8   -3  10 o 50.99472 3.773041  554.0274       79.24264 431.3041       
112.2183 676.0867       111.9143 45.27789 5.903353 56.71156 4.700403 -11.43367 
7.546082 
1 1 1 8   -3  11 o 145.5099 4.924772  4279.955       267.2704 4083.626       
309.7263 4852.453       528.8994 139.3410 5.294442 151.6788 8.305564 -12.33784 
9.849544 
1 1 1 8   -3  12 o 231.2265 8.537918  11293.96       805.1749 11584.18       
1310.825 11118.11       1020.357 233.3064 13.38255 229.1466 10.60620 4.159775 
17.07584 
1 1 1 8   -3  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   -3  14 o 131.3261 5.720583  3630.343       313.9718 3792.427       
470.8490 3500.568       421.3152 133.9232 8.374266 128.7290 7.795638 5.194214 
11.44117 
1 1 1 8   -3  15 o 116.7605 4.826712  2760.448       222.3866 3222.414       
400.4551 2554.450       267.4115 123.4388 7.727222 110.0823 5.786071 13.35647 
9.653423 
1 1 1 8   -3  16 o 96.45662 4.722013  1999.250       187.9660 1663.377       
274.9282 2294.046       257.5683 88.64911 7.386963 104.2641 5.884079 -15.61502 
9.444025 
1 1 1 8   -3  17 f 139.3923 5.935041  4069.016       338.1052 4404.371       
553.7126 3869.641       426.9394 143.7249 9.176421 135.0597 7.529418 8.665207 
11.87008 
1 1 1 8   -3  18 o 95.08376 4.261132  1858.774       166.3902 1669.021       
210.4954 2174.817       271.6567 88.84805 5.643075 101.3195 6.386290 -12.47141 
8.522264 
1 1 1 8   -3  19 o 243.3651 9.496672  12984.22       958.9307 13270.07       
1478.297 12776.56       1259.981 244.8650 14.37991 241.8652 12.40828 2.999786 
18.99334 
1 1 1 8   -3  20 f 36.44133 10.78747  292.4542       176.5073 292.4542       
176.5073 0.000000       0.000000 36.44133 10.78747 ?        ?        ? ? 
1 1 1 8   -3  21 o 71.50294 4.595773  1084.281       125.6448 1088.370       
231.7635 1082.579       149.5241 71.43143 7.728172 71.57447 4.975929 
-0.1430435     9.191545 
1 1 1 8   -3  22 o 241.8316 5.907884  12530.36       594.5840 12481.55       
900.8923 12568.03       791.4382 241.0909 8.900472 242.5723 7.771356 -1.481400 
11.81577 
1 1 1 8   -3  23 o 94.42921 4.462604  1849.868       162.6154 2021.844       
301.1364 1779.075       193.2077 97.20685 7.378829 91.65158 5.021177 5.555267 
8.925208 
1 1 1 8   -3  24 o 50.19232 6.179964  563.8837       105.5815 542.7869       
220.5703 570.1546       120.2534 48.62838 11.05171 51.75626 5.534209 -3.127880 
12.35993 
1 1 1 8   -3  25 o 82.92012 4.335600  1506.534       138.3187 1388.267       
246.3037 1561.012       167.1680 80.12447 7.321950 85.71577 4.645296 -5.591301 
8.671201 
1 1 1 8   -3  26 o 30.16666 6.167119  224.5931       98.37155 -67.69384      
190.8185 330.3898       114.8027 21.95677 9.876002 38.37655 7.389047 -16.41978 
12.33424 
1 1 1 8   -3  27 o 102.4512 3.969792  2202.545       158.7276 2431.739       
288.2646 2102.817       190.1502 105.7102 6.495247 99.19229 4.566043 6.517883 
7.939583 
1 1 1 8   -3  28 o 54.50474 4.652986  655.8041       99.84811 646.0432       
173.1068 660.6707       122.2303 53.75198 7.670803 55.25749 5.268765 -1.505505 
9.305971 
1 1 1 8   -3  29 o 40.17558 6.160457  361.9140       99.79011 529.7380       
163.3354 261.9640       126.0505 47.37940 8.521530 32.97176 8.898789 14.40764 
12.32091 
1 1 1 8   -3  30 o 49.94502 6.135965  614.7351       106.6745 554.9186       
209.9982 635.5383       123.8429 46.21391 10.97266 53.67614 5.495545 -7.462231 
12.27193 
1 1 1 8   -3  31 o 23.65242 6.580726  113.6864       91.24936 -14.12780      
207.0492 144.4955       101.6538 22.59167 10.21749 24.71317 8.296192 -2.121502 
13.16145 
1 1 1 8   -3  32 o 21.38976 6.328000  70.04199       92.44723 -110.1365      
212.7202 111.9971       102.6478 20.37048 9.580868 22.40903 8.269298 -2.038553 
12.65600 
1 1 1 8   -3  33 o 26.99310 6.716959  205.4728       101.8639 14.76916       
222.6048 255.9823       114.5622 22.77984 10.39382 31.20637 8.511093 -8.426525 
13.43392 
1 1 1 8   -3  34 o 28.53771 6.599180  274.4402       115.0926 -132.4622      
278.6591 358.1291       126.3753 20.88165 10.13035 36.19377 8.460070 -15.31212 
13.19836 
1 1 1 8   -2  0  o 83.62225 2.203952  1453.282       76.89754 1608.378       
116.9708 1335.232       102.0491 87.50949 3.183784 79.73500 3.048464 7.774490 
4.407903 
1 1 1 8   -2  1  o 108.4270 2.348155  2470.008       106.6546 2458.352       
155.9229 2480.258       146.2100 108.1843 3.432942 108.6696 3.204720 
-0.4852066     4.696310 
1 1 1 8   -2  2  o 139.6204 3.030490  4090.020       177.2034 4178.086       
261.0651 4014.780       241.3064 141.0081 4.409870 138.2327 4.157949 2.775421 
6.060981 
1 1 1 8   -2  3  o 64.41004 2.631206  866.2510       70.88010 814.0755       
95.28274 930.8973       106.0604 62.25251 3.645679 66.56758 3.794997 -4.315075 
5.262413 
1 1 1 8   -2  4  o 321.0829 5.942557  21664.88       743.8133 21875.22       
1329.187 21568.98       897.4986 321.9953 9.832355 320.1705 6.676878 1.824768 
11.88511 
1 1 1 8   -2  5  o 78.38157 2.550352  1290.487       82.63487 1290.164       
107.8203 1290.948       128.6450 78.37438 3.276782 78.38876 3.908950 
-0.1437378E-01 5.100705 
1 1 1 8   -2  6  o 477.4553 9.557297  48370.80       1876.075 48083.52       
2964.766 48562.66       2422.858 475.7942 14.84200 479.1164 12.04503 -3.322144 
19.11459 
1 1 1 8   -2  7  o 373.4997 8.361683  29440.99       1307.538 30365.23       
1934.051 28662.94       1774.509 378.8049 12.16112 368.1946 11.47947 10.61029 
16.72337 
1 1 1 8   -2  8  o 272.1571 3.123171  15579.52       356.4727 15948.31       
496.5356 15187.27       512.0808 275.4919 4.293017 268.8223 4.537267 6.669617 
6.246342 
1 1 1 8   -2  9  f 379.9797 5.680598  30397.76       898.6653 30234.59       
1194.725 30610.38       1363.801 378.8954 7.510517 381.0640 8.524606 -2.168579 
11.36120 
1 1 1 8   -2  10 o 276.9755 4.981909  16323.92       564.0341 16965.05       
727.7102 15359.22       892.6535 283.9633 6.104039 269.9875 7.875176 13.97580 
9.963819 
1 1 1 8   -2  11 o 476.3649 9.362780  48144.67       1863.484 47892.48       
2512.324 48453.12       2778.455 475.2328 12.59187 477.4969 13.85970 -2.264130 
18.72556 
1 1 1 8   -2  12 o 149.9254 5.450906  4724.877       342.5883 5080.539       
498.9526 4407.651       471.2220 155.2526 7.654932 144.5981 7.762185 10.65451 
10.90181 
1 1 1 8   -2  13 o 150.3475 8.844673  4774.491       558.2862 4774.491       
558.2862 0.000000       0.000000 150.3475 8.844673 ?        ?        ? ? 
1 1 1 8   -2  14 o 168.0591 6.972440  5955.367       491.9553 0.000000       
0.000000 5955.367       491.9553 ?        ?        168.0591 6.972440 ? ? 
1 1 1 8   -2  15 o 146.4595 6.010711  4542.611       369.1734 4316.044       
523.8802 4766.107       520.3179 142.7958 8.738514 150.1231 8.255480 -7.327271 
12.02142 
1 1 1 8   -2  16 o 82.19529 4.741654  1345.831       156.6577 1711.503       
273.8684 1167.992       190.9899 89.98218 7.249474 74.40840 6.113776 15.57378 
9.483308 
1 1 1 8   -2  17 o 71.55189 4.375060  1071.479       130.6051 997.5152       
173.3050 1168.701       198.6943 68.73303 6.005740 74.37074 6.363620 -5.637711 
8.750119 
1 1 1 8   -2  18 o 46.38295 5.851184  419.1146       106.9294 291.3503       
130.6489 678.3485       186.1002 36.26543 8.683023 56.50046 7.845415 -20.23503 
11.70237 
1 1 1 8   -2  19 o 212.5981 7.101858  9587.875       596.8838 10108.11       
1047.123 9337.475       726.4639 216.0030 11.54673 209.1933 8.271560 6.809738 
14.20372 
1 1 1 8   -2  20 o 36.79882 6.250298  331.2681       99.52051 141.3117       
172.1120 426.6820       121.9804 28.76772 10.68931 44.82992 6.481016 -16.06220 
12.50060 
1 1 1 8   -2  21 o 121.2991 5.460966  3113.562       278.1032 0.000000       
0.000000 3113.562       278.1032 ?        ?        121.2991 5.460966 ? ? 
1 1 1 8   -2  22 o 181.7719 6.284371  7111.454       466.9301 6968.926       
746.4943 7203.057       598.4547 179.8123 9.888446 183.7314 7.758344 -3.919022 
12.56874 
1 1 1 8   -2  23 f 134.8348 5.066020  3909.113       277.4952 3742.317       
447.9814 4012.957       353.4753 132.1987 8.071492 137.4709 6.124481 -5.272232 
10.13204 
1 1 1 8   -2  24 o 113.4266 4.066226  2627.933       185.8140 3117.347       
320.4189 2379.950       228.0819 120.9205 6.311597 105.9327 5.128401 14.98782 
8.132451 
1 1 1 8   -2  25 o 167.3530 5.986485  6094.301       375.8781 6078.195       
711.3483 6100.539       442.7334 165.8759 10.21457 168.8302 6.246161 -2.954346 
11.97297 
1 1 1 8   -2  26 o 27.02969 7.103841  127.2785       99.06301 152.2143       
188.6784 117.7886       116.3968 29.34315 11.12519 24.71623 8.836757 4.626917 
14.20768 
1 1 1 8   -2  27 o 47.18822 5.199782  464.6220       100.2457 587.2372       
167.0447 395.6102       125.3205 51.74735 7.688925 42.62909 7.002241 9.118259 
10.39956 
1 1 1 8   -2  28 o 101.0319 3.776772  2213.234       158.9795 2087.778       
235.5397 2318.213       215.4616 98.19281 5.713542 103.8709 4.940796 -5.678093 
7.553544 
1 1 1 8   -2  29 o 23.63308 6.448943  99.52244       90.17620 54.49011       
152.5576 123.7062       111.7978 22.93533 9.554366 24.33084 8.664268 -1.395514 
12.89789 
1 1 1 8   -2  30 o 50.83080 5.107519  533.3726       96.38245 704.4275       
196.5721 479.2339       110.5881 54.99234 8.514138 46.66924 5.644151 8.323101 
10.21504 
1 1 1 8   -2  31 o 25.61152 6.694357  144.0037       87.60555 126.1055       
180.0851 149.5524       100.2697 26.03287 10.55310 25.19018 8.239519 0.8426952 
13.38871 
1 1 1 8   -2  32 o 35.17719 6.405956  341.9672       93.95657 222.0419       
189.2204 381.2117       108.2436 29.47948 11.15163 40.87491 6.307632 -11.39544 
12.81191 
1 1 1 8   -2  33 o 42.66479 6.742094  468.6929       108.5956 504.9584       
209.4430 455.3585       127.0007 41.37822 11.59537 43.95137 6.882633 -2.573154 
13.48419 
1 1 1 8   -2  34 f 84.12719 5.227396  1655.824       154.8442 1919.850       
326.6085 1579.273       175.8649 84.83736 9.169831 83.41702 5.021640 1.420349 
10.45479 
1 1 1 8   -2  35 o 29.56654 6.894539  308.7391       111.7529 80.34327       
280.1887 351.9456       121.8657 23.45454 11.02102 35.67854 8.287085 -12.22400 
13.78908 
1 1 1 8   -1  0  f 305.0299 5.754922  19591.52       725.8715 19558.67       
947.5240 19638.19       1129.313 304.8103 7.404259 305.2495 8.812120 
-0.4391785     11.50984 
1 1 1 8   -1  1  o 173.9128 3.703410  6359.712       270.0784 6324.497       
391.0880 6391.817       373.4214 173.4461 5.370702 174.3795 5.100642 
-0.9334106     7.406820 
1 1 1 8   -1  2  o 251.7416 5.057345  13332.26       528.5690 13296.29       
697.0436 13380.93       810.8076 251.3913 6.604360 252.0920 7.660901 
-0.7006531     10.11469 
1 1 1 8   -1  3  o 26.53461 4.295851  153.9471       46.84523 147.5004       
65.46279 160.7131       67.06455 25.96296 6.102036 27.10626 6.048347 -1.143303 
8.591702 
1 1 1 8   -1  4  o 169.8529 2.887819  6051.353       200.9453 6107.118       
322.2140 6015.860       257.0580 170.4763 4.501957 169.2295 3.618062 1.246826 
5.775638 
1 1 1 8   -1  5  o 455.1470 9.523590  43889.38       1819.567 42905.73       
2551.807 44906.80       2595.257 449.9475 13.50850 460.3464 13.42816 -10.39890 
19.04718 
1 1 1 8   -1  6  o 226.8082 4.609400  10858.49       431.1429 11019.00       
561.7745 10628.47       672.5160 228.9041 5.845604 224.7123 7.128478 4.191818 
9.218801 
1 1 1 8   -1  7  o 148.2654 2.963590  4566.567       179.5968 4842.755       
293.0140 4400.373       227.2980 151.8013 4.597630 144.7295 3.740757 7.071762 
5.927180 
1 1 1 8   -1  8  o 395.0049 7.786687  33025.15       1276.942 33348.70       
1689.528 32594.09       1950.112 397.4664 10.12479 392.5434 11.83295 4.923035 
15.57337 
1 1 1 8   -1  9  o 394.8172 8.281076  32952.67       1371.546 32464.56       
1896.190 33488.25       1986.260 391.7999 11.52759 397.8345 11.89200 -6.034576 
16.56215 
1 1 1 8   -1  10 o 255.5674 3.720121  13691.12       382.9309 13586.30       
477.3907 13880.26       641.2692 254.2570 4.472210 256.8779 5.946135 -2.620911 
7.440241 
1 1 1 8   -1  11 f 329.7818 4.619498  22768.24       631.7966 23648.71       
980.6208 22143.38       826.1072 335.1442 6.969322 324.4194 6.065277 10.72476 
9.238996 
1 1 1 8   -1  12 o 242.3370 8.091008  12511.10       811.4075 12936.84       
1072.020 11940.04       1241.567 247.3864 10.32162 237.2876 12.46282 10.09885 
16.18202 
1 1 1 8   -1  13 o 116.8891 7.742365  2880.589       379.9502 2880.589       
379.9502 0.000000       0.000000 116.8891 7.742365 ?        ?        ? ? 
1 1 1 8   -1  14 o 232.1079 10.18515  11406.50       992.5134 0.000000       
0.000000 11406.50       992.5134 ?        ?        232.1079 10.18515 ? ? 
1 1 1 8   -1  15 o 19.52084 6.315763  -125.9532      118.7733 -198.7725      
175.1033 -63.89775      161.6445 18.37881 8.658231 20.66287 9.197310 -2.284061 
12.63153 
1 1 1 8   -1  16 o 175.8372 6.615922  6596.869       468.3893 6410.109       
775.8827 6703.958       587.5265 173.6061 10.64516 178.0684 7.858898 -4.462326 
13.23184 
1 1 1 8   -1  17 o 67.95735 4.322302  977.6729       121.9175 996.0580       
161.5993 953.3828       185.7464 68.73022 5.600321 67.18449 6.585255 1.545738 
8.644604 
1 1 1 8   -1  18 o 58.30093 4.942076  697.9768       119.0304 597.9588       
152.7356 852.6812       189.9557 53.15237 6.844451 63.44949 7.130916 -10.29712 
9.884152 
1 1 1 8   -1  19 o 162.9873 4.586093  5597.562       309.1805 5796.154       
484.0051 5460.660       401.8586 165.3021 6.974171 160.6725 5.957345 4.629623 
9.172187 
1 1 1 8   -1  20 o 287.8529 9.959758  18342.87       1132.103 18040.56       
1950.160 18496.53       1390.368 283.6165 16.37796 292.0894 11.33796 -8.472900 
19.91952 
1 1 1 8   -1  21 o 143.2996 5.195834  4376.390       292.2972 4369.462       
513.3671 4379.714       355.5582 142.8408 8.560456 143.7585 5.891126 
-0.9177246     10.39167 
1 1 1 8   -1  22 o 57.84840 4.776789  753.2858       106.2237 595.0600       
180.7763 836.7260       131.2775 52.77114 8.159547 62.92566 4.969168 -10.15452 
9.553577 
1 1 1 8   -1  23 o 79.54035 7.092662  1347.043       236.8513 1347.043       
236.8513 0.000000       0.000000 79.54035 7.092662 ?        ?        ? ? 
1 1 1 8   -1  24 o 59.54485 4.684249  738.0654       105.2960 795.4583       
201.7353 716.5750       123.4456 60.91613 7.888070 58.17358 5.054414 2.742542 
9.368498 
1 1 1 8   -1  25 o 49.15170 6.196106  570.2432       107.9960 457.1432       
205.9996 613.1091       126.8210 44.63198 11.04040 53.67141 5.628194 -9.039433 
12.39221 
1 1 1 8   -1  26 f 126.9889 4.406064  3447.615       211.6171 3480.150       
397.4720 3434.745       249.9941 126.8276 7.464723 127.1502 4.683106 
-0.3225174     8.812127 
1 1 1 8   -1  27 o 45.13850 5.399857  450.2974       92.45119 453.7571       
164.2084 448.6918       111.8655 44.56215 9.091860 45.71486 5.828543 -1.152702 
10.79971 
1 1 1 8   -1  28 o 145.7826 4.211457  4511.123       235.4147 4805.667       
437.4154 4391.018       279.3177 148.2366 7.028452 143.3285 4.641804 4.908081 
8.422915 
1 1 1 8   -1  29 o 26.04454 6.842698  133.4791       91.55280 109.6794       
185.9360 141.0959       105.1877 26.75503 10.77360 25.33406 8.439164 1.420971 
13.68540 
1 1 1 8   -1  30 o 30.73896 7.097930  208.2263       90.81361 252.5339       
203.7659 197.2443       101.4457 32.55647 11.68677 28.92146 8.058644 3.635010 
14.19586 
1 1 1 8   -1  31 o 30.56485 7.259801  176.8244       92.55264 365.7382       
208.7621 130.6098       103.2546 36.99480 11.87661 24.13491 8.352548 12.85988 
14.51960 
1 1 1 8   -1  32 o 21.11023 6.651888  -12.51855      99.25214 101.3719       
211.2424 -44.78363      112.4356 25.92616 11.04119 16.29430 7.421767 9.631863 
13.30378 
1 1 1 8   -1  33 o 46.37504 6.449581  576.2245       109.5798 473.0319       
203.6405 618.2827       130.0067 40.62205 11.44989 52.12803 5.940396 -11.50597 
12.89916 
1 1 1 8   -1  34 o 21.69917 6.421521  74.38079       103.7379 -215.3300      
237.8647 142.4268       115.2787 19.34856 9.378119 24.04977 8.774657 -4.701210 
12.84304 
1 1 1 8   -1  35 o 43.68761 7.333385  570.3884       114.6670 593.3513       
259.2419 564.8030       127.8540 38.97501 13.24859 48.40021 6.291989 -9.425201 
14.66677 
1 1 1 8   0   0  o 100.3007 2.121173  2109.275       89.21552 1970.997       
123.6312 2259.524       128.8714 96.87572 3.039725 103.7256 2.959320 -6.849854 
4.242346 
1 1 1 8   0   1  o 176.5370 3.657150  6501.638       264.3710 6334.551       
336.3990 6771.511       427.5271 173.6181 4.615097 179.4559 5.674491 -5.837830 
7.314299 
1 1 1 8   0   2  o 73.02483 2.147596  1121.147       65.76762 1084.953       
94.25172 1155.493       91.81506 71.87395 3.123481 74.17571 2.948311 -2.301758 
4.295191 
1 1 1 8   0   3  f 124.6633 2.842326  3271.925       148.3609 3152.131       
215.4572 3379.942       204.5923 122.4843 4.189879 126.8424 3.841899 -4.358040 
5.684652 
1 1 1 8   0   4  o 244.7071 4.316803  12750.41       423.9830 12047.64       
702.4466 13153.16       531.7722 239.2634 6.992912 250.1508 5.063429 -10.88741 
8.633605 
1 1 1 8   0   5  o 210.8580 3.413377  9307.227       300.2944 9666.216       
454.1273 9028.284       400.3069 214.4450 5.044089 207.2711 4.600187 7.173920 
6.826753 
1 1 1 8   0   6  o 278.4839 5.035362  16093.61       498.6733 16756.92       
1040.089 15895.61       568.2448 281.9643 8.786125 275.0034 4.921737 6.960876 
10.07072 
1 1 1 8   0   7  o 106.3654 2.993072  2339.182       132.5696 2063.680       
174.7351 2712.850       203.4986 99.10455 4.199596 113.6263 4.265830 -14.52175 
5.986144 
1 1 1 8   0   8  o 301.4209 4.113617  19069.57       466.4471 19190.58       
885.7895 19023.13       548.6838 301.9600 6.987185 300.8819 4.343574 1.078094 
8.227235 
1 1 1 8   0   9  o 106.7031 2.695111  2379.104       117.3565 2445.902       
190.9952 2338.587       148.7488 107.8904 4.216583 105.5159 3.357815 2.374565 
5.390223 
1 1 1 8   0   10 o 231.7879 4.828677  11259.85       460.1654 11076.50       
591.2339 11541.60       732.8925 229.4633 6.137156 234.1126 7.456528 -4.649277 
9.657354 
1 1 1 8   0   11 o 341.0878 7.275292  24449.18       1025.307 23888.29       
1329.497 25272.33       1610.616 336.4588 9.411880 345.7168 11.09667 -9.257965 
14.55058 
1 1 1 8   0   12 o 191.3303 4.909225  7046.554       252.7361 6862.222       
267.2717 8604.288       776.9615 180.7338 3.522368 201.9269 9.164872 -21.19312 
9.818450 
1 1 1 8   0   13 o 46.23669 9.895382  469.1830       186.5116 469.1830       
186.5116 0.000000       0.000000 46.23669 9.895382 ?        ?        ? ? 
1 1 1 8   0   14 o 338.7396 15.91460  24551.36       2263.292 0.000000       
0.000000 24551.36       2263.292 ?        ?        338.7396 15.91460 ? ? 
1 1 1 8   0   15 f 97.29060 4.859996  1986.724       197.5969 2080.156       
296.5385 1912.108       265.0017 99.32496 7.111215 95.25625 6.626378 4.068710 
9.719993 
1 1 1 8   0   16 o 294.7231 9.978197  18554.96       1153.808 18776.95       
2034.249 18449.67       1400.956 294.9520 16.42759 294.4942 11.33101 0.4577332 
19.95639 
1 1 1 8   0   17 o 88.06556 4.347471  1527.020       152.2670 1322.861       
183.2508 1982.353       273.6698 79.23146 5.508955 96.89966 6.727067 -17.66820 
8.694942 
1 1 1 8   0   18 f 80.10640 4.648062  1363.084       147.6998 1377.762       
181.8630 1334.644       253.1488 80.83327 5.358896 79.37953 7.596061 1.453735 
9.296124 
1 1 1 8   0   19 o 33.38815 6.534674  249.7347       92.12900 209.4018       
161.3696 269.2383       112.2147 31.85151 10.45268 34.92479 7.845337 -3.073271 
13.06935 
1 1 1 8   0   20 o 25.30902 6.557689  79.09245       87.36088 197.7270       
159.8029 28.52518       104.3311 31.11699 10.40182 19.50106 7.988448 11.61592 
13.11538 
1 1 1 8   0   21 o 94.68188 3.961317  1931.777       148.5487 1790.921       
251.5330 2007.216       184.0789 91.84303 6.523338 97.52073 4.496020 -5.677704 
7.922634 
1 1 1 8   0   22 o 145.5012 4.521922  4379.681       261.6015 4845.896       
458.9581 4155.322       318.3849 150.8641 7.246164 140.1382 5.411490 10.72588 
9.043844 
1 1 1 8   0   23 o 149.9146 4.496128  4764.266       246.7156 4780.865       
487.9231 4758.563       285.9669 149.6886 7.763967 150.1407 4.536684 
-0.4520416     8.992256 
1 1 1 8   0   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   0   25 o 98.25420 4.474026  2021.194       147.3563 2119.720       
333.0752 1997.217       164.3112 99.27098 7.991735 97.23743 4.024897 2.033554 
8.948051 
1 1 1 8   0   26 o 81.21104 4.088891  1469.220       127.2544 1245.577       
222.7005 1577.646       155.0633 76.12035 6.968536 86.30174 4.279673 -10.18140 
8.177781 
1 1 1 8   0   27 o 89.73741 4.028193  1786.452       143.2401 1508.932       
234.8680 1950.805       180.7452 83.65774 6.687116 95.81708 4.493087 -12.15934 
8.056386 
1 1 1 8   0   28 o 45.31491 5.383967  441.3720       92.81741 497.6827       
168.6191 416.8924       111.1767 46.65918 8.926292 43.97063 6.022433 2.688549 
10.76793 
1 1 1 8   0   29 o 18.67745 5.857820  -20.78152      88.07079 -99.32226      
161.3804 12.53134       105.1016 18.96578 8.734125 18.38911 7.808411 0.5766735 
11.71564 
1 1 1 8   0   30 o 62.56724 4.813676  927.5306       105.9818 747.6266       
206.3806 991.9646       123.5112 57.16241 8.599623 67.97207 4.328095 -10.80965 
9.627353 
1 1 1 8   0   31 o 54.84473 4.713874  553.1020       95.10397 961.8110       
204.3685 440.1288       107.4471 64.99291 7.489780 44.69654 5.725873 20.29638 
9.427748 
1 1 1 8   0   32 o 28.27742 6.822960  192.7375       90.01743 169.4920       
186.6567 199.7823       102.7565 27.88869 10.94429 28.66615 8.150680 
-0.7774544     13.64592 
1 1 1 8   0   33 o 40.73549 6.437525  472.4975       101.5886 294.7781       
196.5081 537.3181       118.6777 32.63598 11.50049 48.83500 5.788408 -16.19902 
12.87505 
1 1 1 8   0   34 o 22.43831 7.159630  31.63942       108.4743 92.49419       
272.4167 20.17226       118.2536 26.27299 11.80975 18.60363 8.097598 7.669365 
14.31926 
1 1 1 8   0   35 o 36.41148 7.527984  376.2421       107.5980 450.7000       
245.7187 358.5778       119.6826 35.52413 12.82547 37.29882 7.886022 -1.774689 
15.05597 
1 1 1 8   0   36 o 46.94299 7.081735  686.9777       120.1900 614.9778       
241.8339 710.5955       138.5070 39.77058 12.78429 54.11539 6.096380 -14.34481 
14.16347 
1 1 1 8   1   0  o 413.2089 7.236473  36110.91       1247.959 36782.72       
1685.031 35294.74       1857.275 417.6054 9.610876 408.8123 10.82115 8.793121 
14.47295 
1 1 1 8   1   1  o 168.5772 3.475710  5976.588       244.7038 6009.442       
330.1028 5936.512       364.5882 169.1029 4.649640 168.0516 5.167505 1.051224 
6.951421 
1 1 1 8   1   2  o 111.9029 2.302245  2644.815       105.4503 2698.824       
135.6094 2562.208       167.7126 113.3632 2.849304 110.4425 3.617016 2.920639 
4.604491 
1 1 1 8   1   3  o 269.1823 5.625542  15263.48       635.5202 15401.43       
889.1715 15119.42       908.6682 270.4395 7.831348 267.9250 8.078174 2.514465 
11.25108 
1 1 1 8   1   4  o 197.1601 3.672506  8191.047       291.6644 8100.918       
485.3153 8242.005       364.9159 196.2698 5.889679 198.0504 4.388722 -1.780640 
7.345012 
1 1 1 8   1   5  o 320.9513 4.919574  21762.98       576.5390 21504.82       
1141.719 21851.34       667.9598 319.4689 8.512397 322.4337 4.934361 -2.964813 
9.839148 
1 1 1 8   1   6  o 236.3120 4.659066  11759.88       460.7070 11610.34       
677.3780 11888.60       628.4464 234.8896 6.868917 237.7344 6.296471 -2.844788 
9.318131 
1 1 1 8   1   7  o 341.4047 6.938510  24609.37       993.2389 24193.49       
1434.501 24992.35       1376.591 338.5824 10.09155 344.2270 9.525356 -5.644623 
13.87702 
1 1 1 8   1   8  o 85.47392 2.708151  1524.769       96.62579 1447.118       
128.6977 1625.093       146.2844 82.99841 3.693364 87.94944 3.961741 -4.951027 
5.416303 
1 1 1 8   1   9  o 54.78009 3.159550  636.0005       72.04397 561.9257       
104.4385 703.2504       99.51110 51.70621 4.811041 57.85396 4.096939 -6.147743 
6.319100 
1 1 1 8   1   10 o 362.3287 5.449749  27647.58       797.7552 27655.96       
1321.974 27642.78       1000.452 362.2097 8.693286 362.4478 6.574635 
-0.2381897     10.89950 
1 1 1 8   1   11 o 106.4602 3.017733  2382.473       134.8294 2341.154       
192.2173 2422.494       189.1742 105.5493 4.337685 107.3710 4.196586 -1.821640 
6.035466 
1 1 1 8   1   12 o 228.2921 4.629315  10357.71       314.9926 10116.16       
339.4146 11857.35       845.6987 219.4345 3.684230 237.1497 8.494039 -17.71515 
9.258631 
1 1 1 8   1   13 o 295.3615 9.272218  18513.20       1149.445 19143.65       
1635.943 17898.50       1615.372 300.3614 12.97314 290.3616 13.25118 9.999786 
18.54444 
1 1 1 8   1   14 o 52.73250 9.494161  605.4431       202.5276 0.000000       
0.000000 605.4431       202.5276 ?        ?        52.73250 9.494161 ? ? 
1 1 1 8   1   15 o 32.91611 7.553603  201.6836       131.3489 38.26178       
190.9366 348.4971       180.9744 25.96776 10.74503 39.86447 10.61942 -13.89671 
15.10721 
1 1 1 8   1   16 o 141.2688 4.967168  4213.762       284.3661 4227.538       
358.4617 4190.373       467.0645 141.6677 6.026887 140.8699 7.897320 0.7977753 
9.934337 
1 1 1 8   1   17 o 184.3174 4.581286  6877.709       316.9166 6548.763       
368.5246 7811.667       620.9658 176.3769 4.976752 192.2579 7.693157 -15.88101 
9.162572 
1 1 1 8   1   18 o 203.2261 6.411714  8769.103       483.1787 8770.920       
935.8592 8768.441       564.1900 202.6943 10.99740 203.7579 6.595260 -1.063644 
12.82343 
1 1 1 8   1   19 o 212.3398 5.625792  9605.056       471.3113 9461.259       
817.3898 9676.676       576.8644 210.7421 9.238446 213.9375 6.422557 -3.195343 
11.25158 
1 1 1 8   1   20 o 82.64002 3.590815  1408.272       116.6917 1535.823       
208.7712 1350.317       140.7272 85.22624 5.834697 80.05380 4.187137 5.172440 
7.181630 
1 1 1 8   1   21 o 93.67976 3.811989  1847.147       140.0507 1880.080       
247.8512 1831.700       169.7482 94.16961 6.269045 93.18991 4.338676 0.9796982 
7.623978 
1 1 1 8   1   22 o 225.0455 7.377284  10767.37       631.5274 11389.20       
1187.275 10522.02       745.7820 228.1541 12.39493 221.9369 8.003935 6.217255 
14.75457 
1 1 1 8   1   23 o 132.8191 4.521961  3823.612       235.2662 3513.467       
405.8398 3980.590       288.7308 128.3966 7.528739 137.2415 5.011048 -8.844940 
9.043921 
1 1 1 8   1   24 o 135.3741 4.595406  3778.682       202.0204 4077.122       
479.5841 3714.302       222.7472 138.0296 8.275869 132.7185 3.997623 5.311081 
9.190811 
1 1 1 8   1   25 o 71.70887 4.720456  1087.638       142.1136 0.000000       
0.000000 1087.638       142.1136 ?        ?        71.70887 4.720456 ? ? 
1 1 1 8   1   26 o 50.02099 4.933310  517.5908       97.09074 591.0971       
174.9448 484.8737       116.7147 52.33750 7.961761 47.70448 5.827568 4.633022 
9.866619 
1 1 1 8   1   27 o 79.79800 3.719312  1279.365       114.5165 1557.072       
216.7158 1171.782       134.8865 85.26550 6.053943 74.33052 4.322373 10.93497 
7.438624 
1 1 1 8   1   28 o 105.6728 4.042779  2351.497       153.8538 2483.769       
315.0557 2310.076       176.3055 107.0120 7.012551 104.3336 4.024969 2.678322 
8.085558 
1 1 1 8   1   29 o 36.41779 6.138755  235.7273       87.61423 520.7288       
174.2890 139.3525       101.3509 47.51735 9.061764 25.31824 8.283822 22.19911 
12.27751 
1 1 1 8   1   30 o 45.52876 6.123172  534.4983       95.73692 371.1124       
191.6459 588.8300       110.5144 38.81625 11.16170 52.24128 5.038789 -13.42504 
12.24634 
1 1 1 8   1   31 o 83.60219 4.228579  1582.784       132.9181 1431.464       
243.3756 1647.103       158.6718 79.73760 7.270010 87.46677 4.320936 -7.729172 
8.457158 
1 1 1 8   1   32 o 20.02351 6.245693  3.452734       83.54710 47.83943       
185.9630 -7.771922      93.51617 23.78716 10.25096 16.25986 7.138110 7.527294 
12.49139 
1 1 1 8   1   33 o 50.78899 5.824173  581.0023       110.4607 726.8569       
210.1411 525.3146       129.8468 53.52657 9.708561 48.05142 6.436444 5.475143 
11.64835 
1 1 1 8   1   34 f 25.16247 7.352468  87.50213       103.9113 260.5934       
232.5712 44.33082       116.1491 30.74973 12.16922 19.57522 8.255013 11.17451 
14.70494 
1 1 1 8   1   35 o 40.74671 8.111999  421.2148       117.8419 676.0503       
286.2897 369.2307       129.3038 43.71895 13.89538 37.77448 8.374760 5.944477 
16.22400 
1 1 1 8   1   36 o 43.07829 7.269416  533.9650       113.7020 616.2230       
247.0302 511.8541       128.0751 40.53320 12.91002 45.62339 6.686489 -5.090183 
14.53883 
1 1 1 8   2   0  o 337.9891 4.873851  23682.27       633.1736 24924.03       
1172.195 23170.70       752.3790 343.9926 8.116560 331.9857 5.398067 12.00687 
9.747702 
1 1 1 8   2   1  o 157.0873 3.350295  5152.125       218.0915 4985.433       
284.2831 5390.555       339.9966 154.0321 4.396034 160.1425 5.056954 -6.110474 
6.700590 
1 1 1 8   2   2  o 118.8599 2.616692  2967.630       130.5615 2905.130       
183.9985 3031.013       185.2921 117.5989 3.726765 120.1209 3.674171 -2.522034 
5.233385 
1 1 1 8   2   3  o 82.54504 2.322669  1381.193       76.34885 1283.661       
92.72039 1586.591       134.5553 78.18285 2.824782 86.90725 3.687786 -8.724403 
4.645337 
1 1 1 8   2   4  o 94.52557 2.359825  1874.407       93.47346 1841.226       
127.8332 1912.532       137.0282 93.62905 3.252026 95.42209 3.420442 -1.793037 
4.719650 
1 1 1 8   2   5  o 283.5521 4.513224  16933.56       483.9948 16960.07       
571.8495 16866.62       908.7409 284.0737 4.794814 283.0305 7.647647 1.043213 
9.026447 
1 1 1 8   2   6  o 215.7561 3.854643  9818.743       298.6257 9848.591       
343.0469 9725.361       606.7760 216.5219 3.773746 214.9904 6.722495 1.531586 
7.709286 
1 1 1 8   2   7  o 391.4596 5.497005  32105.44       807.6581 32637.05       
1542.953 31904.80       947.8925 393.4063 9.341845 389.5130 5.796398 3.893250 
10.99401 
1 1 1 8   2   8  o 154.5406 2.822012  5030.400       182.5963 5254.781       
252.8779 4785.962       263.9374 158.1563 3.808426 150.9250 4.165441 7.231308 
5.644023 
1 1 1 8   2   9  o 358.4061 6.984249  26944.51       988.5431 27581.90       
1728.985 26634.96       1204.909 361.2263 11.40074 355.5858 8.071067 5.640564 
13.96850 
1 1 1 8   2   10 o 356.2676 6.353005  26579.17       843.2828 27159.76       
1631.815 26367.63       985.0047 358.5465 10.84043 353.9886 6.627810 4.557922 
12.70601 
1 1 1 8   2   11 o 230.8732 4.082602  11059.90       367.3496 11612.64       
663.0572 10815.10       441.2604 234.9022 6.723338 226.8441 4.633280 8.058090 
8.165204 
1 1 1 8   2   12 o 91.02501 2.859975  1717.518       107.2810 1859.705       
171.5210 1626.148       137.4958 94.07114 4.342922 87.97887 3.722479 6.092262 
5.719949 
1 1 1 8   2   13 o 518.4459 19.87307  59195.50       4289.980 59247.82       
6487.326 59154.83       5718.956 517.0591 29.88454 519.8328 26.20440 -2.773682 
39.74615 
1 1 1 8   2   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   2   15 o 136.5012 4.587855  3877.657       248.1377 3787.616       
302.5919 4062.523       433.5758 134.1787 5.371490 138.8237 7.439137 -4.644958 
9.175711 
1 1 1 8   2   16 o 151.2732 4.872559  4648.996       280.2051 4428.818       
328.5649 5236.198       536.5722 145.0654 5.394837 157.4810 8.115606 -12.41562 
9.745118 
1 1 1 8   2   17 o 177.0731 6.636814  6326.794       447.1071 5932.345       
523.1461 7395.585       861.1400 167.6240 7.433747 186.5221 10.99675 -18.89807 
13.27363 
1 1 1 8   2   18 o 94.94303 4.006083  1842.282       147.8201 2051.923       
271.6341 1754.078       176.1938 98.59770 6.562034 91.28836 4.597229 7.309341 
8.012166 
1 1 1 8   2   19 o 79.60661 3.691905  1371.219       114.6200 1237.535       
198.5311 1438.058       140.3791 76.55141 6.177266 82.66180 4.045002 -6.110382 
7.383810 
1 1 1 8   2   20 o 155.6491 4.099395  5131.638       266.4358 4985.387       
394.7069 5254.059       361.1231 153.5483 6.122810 157.7499 5.452647 -4.201569 
8.198791 
1 1 1 8   2   21 o 126.7608 4.244077  3356.583       207.8271 3517.633       
380.6997 3288.213       248.0496 128.6953 7.045974 124.8264 4.733180 3.868858 
8.488153 
1 1 1 8   2   22 o 162.0934 5.587875  5612.410       359.3682 5595.425       
617.8821 5621.093       441.7742 161.4640 9.114882 162.7228 6.466556 -1.258789 
11.17575 
1 1 1 8   2   23 o 79.41695 3.531870  1299.257       106.4721 1411.964       
202.7380 1256.334       125.1145 81.62759 5.915878 77.20631 3.859899 4.421280 
7.063741 
1 1 1 8   2   24 o 73.41936 3.793987  1020.785       103.7400 1409.859       
213.2729 900.1969       118.7329 81.52070 6.231447 65.31803 4.329714 16.20267 
7.587975 
1 1 1 8   2   25 o 199.2500 6.074781  8523.702       468.4092 8521.961       
843.9795 8524.478       563.0935 198.3665 10.13409 200.1334 6.701653 -1.766953 
12.14956 
1 1 1 8   2   26 o 92.36351 3.893107  1768.104       133.7299 1908.410       
262.6260 1718.990       155.3831 94.53403 6.617145 90.19300 4.103478 4.341026 
7.786214 
1 1 1 8   2   27 o 37.97906 10.50589  329.9407       173.0504 329.9407       
173.0504 0.000000       0.000000 37.97906 10.50589 ?        ?        ? ? 
1 1 1 8   2   28 o 98.52010 3.897280  2078.121       144.9135 2069.954       
272.2977 2081.348       171.1658 97.98315 6.619324 99.05704 4.115786 -1.073891 
7.794559 
1 1 1 8   2   29 o 56.77498 4.689009  677.0614       97.94675 747.4567       
195.9878 653.6264       113.0811 58.25114 8.013932 55.29882 4.870741 2.952316 
9.378018 
1 1 1 8   2   30 o 117.9201 4.522056  2869.961       178.6815 3326.399       
411.7307 2764.051       198.3313 122.0547 8.034886 113.7855 4.151695 8.269218 
9.044112 
1 1 1 8   2   31 o 48.93764 4.961406  448.2253       88.61974 726.7921       
191.8876 372.7020       99.91315 56.58517 8.077283 41.29010 5.763652 15.29507 
9.922812 
1 1 1 8   2   32 o 24.08206 6.779904  86.31983       88.56387 157.2965       
186.4803 65.64840       100.6377 27.86615 10.93829 20.29797 8.013870 7.568184 
13.55981 
1 1 1 8   2   33 o 31.98453 7.326090  266.4744       105.5714 209.5559       
227.6169 282.0747       119.1639 30.10165 11.99906 33.86741 8.408863 -3.765755 
14.65218 
1 1 1 8   2   34 o 25.04617 7.562631  77.76189       108.1918 213.8254       
267.4205 51.13200       118.3065 29.99102 12.58077 20.10131 8.396299 9.889713 
15.12526 
1 1 1 8   2   35 o 68.87300 5.769278  1074.941       139.1472 1364.793       
302.4453 997.1157       156.7184 71.56750 10.06589 66.17850 5.640585 5.389000 
11.53856 
1 1 1 8   2   36 o 40.37835 7.494102  500.6085       118.7018 472.6894       
269.8513 507.3068       132.1762 35.11105 13.30693 45.64565 6.897233 -10.53460 
14.98820 
1 1 1 8   2   37 o 16.18592 5.560265  -112.0449      106.2615 -203.6978      
212.3521 -81.42832      122.7331 17.36136 8.522402 15.01049 7.143867 2.350872 
11.12053 
1 1 1 8   3   0  o 230.8947 3.699899  11201.04       357.8483 11120.80       
489.0558 11293.52       525.0020 230.0154 5.064338 231.7740 5.395321 -1.758652 
7.399798 
1 1 1 8   3   1  o 255.4821 4.961895  13742.48       531.7527 13901.67       
739.2883 13571.84       765.4160 257.0308 6.850933 253.9333 7.179577 3.097488 
9.923790 
1 1 1 8   3   2  o 307.8121 5.107095  20015.28       656.5773 19111.84       
966.0125 20790.98       895.1162 301.2841 7.637084 314.3400 6.782672 -13.05591 
10.21419 
1 1 1 8   3   3  o 174.1205 2.580293  6371.625       186.5590 6389.034       
246.4615 6348.268       285.4885 174.4081 3.365919 173.8330 3.911807 0.5750732 
5.160585 
1 1 1 8   3   4  o 199.0409 3.846872  8334.506       320.8042 8419.242       
441.0708 8239.331       467.4487 200.1261 5.249592 197.9556 5.624544 2.170563 
7.693745 
1 1 1 8   3   5  o 314.4966 5.152211  20623.78       528.7543 20509.55       
585.1379 21132.26       1234.565 312.4140 4.461171 316.5792 9.288653 -4.165222 
10.30442 
1 1 1 8   3   6  o 88.40518 2.174072  1628.253       80.34476 1790.484       
120.6077 1498.817       107.7291 92.33191 3.111317 84.47846 3.037444 7.853447 
4.348144 
1 1 1 8   3   7  o 407.9351 8.593023  35140.43       1467.174 34454.93       
1989.928 35956.93       2171.773 403.6873 11.74122 412.1828 12.55006 -8.495483 
17.18605 
1 1 1 8   3   8  o 186.0031 3.674305  7254.368       266.2914 7322.556       
476.3875 7223.380       321.1500 186.5885 6.081304 185.4178 4.125509 1.170654 
7.348611 
1 1 1 8   3   9  o 215.7511 3.127760  9802.194       273.1201 9703.393       
449.5839 9859.985       343.8400 214.8573 4.984042 216.6449 3.780325 -1.787567 
6.255520 
1 1 1 8   3   10 o 365.8768 7.297460  28262.50       1120.909 28345.61       
1592.818 28180.97       1577.699 366.4026 10.35449 365.3509 10.28573 1.051697 
14.59492 
1 1 1 8   3   11 o 351.9442 4.164465  25940.29       601.9555 26581.46       
961.7068 25527.28       771.8527 355.4376 6.444666 348.4508 5.276112 6.986786 
8.328931 
1 1 1 8   3   12 o 206.3685 2.749150  8925.989       233.9829 9062.971       
368.3496 8833.326       302.9565 207.6763 4.224684 205.0607 3.518998 2.615677 
5.498300 
1 1 1 8   3   13 o 106.6754 4.643823  2396.299       206.5622 2384.373       
310.3660 2405.782       276.7600 106.4204 6.946572 106.9304 6.164860 
-0.5100327     9.287645 
1 1 1 8   3   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   3   15 o 198.7891 6.277351  7835.706       360.9288 7654.527       
386.6638 9062.469       1006.145 190.7968 4.827068 206.7814 11.58965 -15.98453 
12.55470 
1 1 1 8   3   16 o 163.2584 5.498802  5594.889       371.0648 5467.992       
481.6002 5780.271       582.0983 161.0572 7.122420 165.4596 8.379642 -4.402390 
10.99760 
1 1 1 8   3   17 o 91.08594 3.589957  1744.275       132.4192 1752.441       
218.4725 1739.533       166.4859 91.22440 5.704358 90.94748 4.360215 0.2769165 
7.179914 
1 1 1 8   3   18 o 159.0231 5.477297  5360.992       345.4940 5298.816       
593.6655 5392.835       424.8510 158.1393 8.941764 159.9070 6.328348 -1.767700 
10.95459 
1 1 1 8   3   19 o 138.4290 4.436475  4115.967       231.6030 3882.923       
430.4936 4210.894       274.7533 135.4446 7.570526 141.4135 4.627785 -5.968887 
8.872951 
1 1 1 8   3   20 o 96.28214 3.693601  1959.302       142.7620 1942.465       
239.4420 1968.589       177.8267 95.89104 5.947622 96.67323 4.381388 
-0.7821960     7.387203 
1 1 1 8   3   21 f 205.2669 6.263864  9121.775       521.0438 8485.903       
838.9965 9520.987       664.7789 198.8633 10.04909 211.6705 7.480627 -12.80722 
12.52773 
1 1 1 8   3   22 o 139.8397 4.188784  4193.508       232.7816 3978.483       
394.0086 4308.807       288.5191 136.8374 6.858388 142.8421 4.811046 -6.004700 
8.377568 
1 1 1 8   3   23 o 103.3252 3.743652  2254.225       144.2803 2267.468       
277.4623 2249.316       168.9135 103.3515 6.394527 103.2990 3.894835 
0.5241394E-01  7.487304 
1 1 1 8   3   24 o 90.08681 3.557064  1771.159       121.5257 1581.308       
220.3348 1854.164       145.6895 86.36360 6.076778 93.81003 3.699134 -7.446426 
7.114129 
1 1 1 8   3   25 o 95.83079 3.348482  1992.197       126.4679 1781.935       
214.0293 2104.993       156.7619 91.72495 5.557850 99.93663 3.736259 -8.211685 
6.696964 
1 1 1 8   3   26 o 270.4968 5.001400  15628.92       567.3759 15531.94       
783.5072 15735.86       822.7089 269.7168 6.919203 271.2767 7.223617 -1.559937 
10.00280 
1 1 1 8   3   27 o 98.32387 3.860697  2027.989       146.3944 2132.000       
268.9979 1984.220       174.4990 99.83501 6.417813 96.81272 4.293204 3.022285 
7.721394 
1 1 1 8   3   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   3   29 o 69.26355 4.436585  1081.445       110.3581 940.8693       
215.1786 1131.619       128.5523 65.55525 7.818307 72.97186 4.196098 -7.416603 
8.873171 
1 1 1 8   3   30 o 37.06396 6.234042  215.3772       86.69375 586.0870       
192.3245 120.8434       97.12051 50.20520 9.470780 23.92272 8.109095 26.28249 
12.46808 
1 1 1 8   3   31 o 71.12782 4.343742  1003.509       110.7564 1320.475       
238.8937 916.7248       125.0025 76.94322 7.395293 65.31243 4.558730 11.63079 
8.687484 
1 1 1 8   3   32 o 83.53583 4.309481  1573.820       124.0160 1481.065       
260.5161 1600.998       141.0197 80.66531 7.692523 86.40633 3.887363 -5.741020 
8.618961 
1 1 1 8   3   33 o 21.22095 6.378116  34.01863       102.7476 -247.5642      
224.8418 108.3418       115.5144 19.29763 9.305277 23.14426 8.725437 -3.846634 
12.75623 
1 1 1 8   3   34 o 66.45350 5.400075  971.4292       129.2753 1184.127       
269.7334 908.0037       147.2942 69.12416 9.294497 63.78284 5.500508 5.341320 
10.80015 
1 1 1 8   3   35 o 24.82551 7.353841  81.12773       106.3121 250.0086       
236.2105 38.22817       119.0517 30.22596 12.15475 19.42505 8.281186 10.80091 
14.70768 
1 1 1 8   3   36 o 32.68805 7.511702  304.4210       109.1678 339.9471       
223.1728 293.2464       125.1648 32.35311 12.14207 33.02299 8.847194 
-0.6698837     15.02340 
1 1 1 8   3   37 o 20.89171 6.120589  64.47692       106.8177 -274.7900      
209.2492 184.0452       124.2227 16.51331 8.165764 25.27011 9.119580 -8.756802 
12.24118 
1 1 1 8   4   0  o 79.49808 2.250319  1327.439       75.07516 1324.615       
107.6894 1330.110       104.7176 79.41518 3.229912 79.58097 3.134234 
-0.1657944     4.500639 
1 1 1 8   4   1  o 135.4882 2.592467  3928.446       143.0417 4198.184       
185.1014 3528.557       225.3761 141.3831 3.118409 129.5932 4.142349 11.78992 
5.184933 
1 1 1 8   4   2  o 70.06881 2.337358  1030.352       68.66064 1016.146       
94.32471 1046.364       100.1374 69.55638 3.230052 70.58124 3.379310 -1.024857 
4.674716 
1 1 1 8   4   3  o 15.95278 4.284040  33.71397       40.76212 8.830241       
58.06622 57.89077       57.23545 14.19805 5.903273 17.70752 6.209943 -3.509470 
8.568081 
1 1 1 8   4   4  o 87.04527 2.446310  1609.522       87.42372 1687.128       
113.9857 1498.652       136.2416 89.62865 3.029176 84.46188 3.842113 5.166771 
4.892621 
1 1 1 8   4   5  o 95.06094 2.491182  1900.369       99.29398 1841.309       
142.6620 1955.863       138.2860 93.62485 3.629427 96.49705 3.413385 -2.872200 
4.982363 
1 1 1 8   4   6  o 214.1779 3.758659  9648.898       336.4554 9585.319       
499.2354 9701.807       455.4172 213.5159 5.569244 214.8400 5.049116 -1.324173 
7.517317 
1 1 1 8   4   7  o 94.55095 2.759776  1871.293       109.2453 1966.040       
161.9764 1792.228       147.9649 96.73685 3.988236 92.36504 3.815682 4.371819 
5.519552 
1 1 1 8   4   8  o 309.1669 5.700346  20077.93       730.6270 19791.16       
957.1053 20478.43       1131.072 306.6070 7.435305 311.7269 8.642456 -5.119904 
11.40069 
1 1 1 8   4   9  o 118.1815 2.882529  2902.461       140.6219 3104.314       
223.1201 2769.445       181.1227 121.5453 4.372417 114.8178 3.757376 6.727486 
5.765059 
1 1 1 8   4   10 o 232.9921 3.878083  11364.18       307.9096 11328.94       
345.7440 11499.30       676.9559 232.2325 3.546114 233.7516 6.898057 -1.519165 
7.756166 
1 1 1 8   4   11 o 329.9346 5.013036  22748.25       686.9415 24009.92       
1063.364 21844.61       899.9264 337.6745 7.500752 322.1946 6.652881 15.47986 
10.02607 
1 1 1 8   4   12 o 388.8133 5.940178  31675.36       832.1722 31499.33       
955.5987 32227.80       1692.890 386.9884 5.881643 390.6382 10.32226 -3.649841 
11.88036 
1 1 1 8   4   13 o 150.9379 6.186675  4741.484       383.5615 5099.964       
618.6847 4517.682       488.8430 155.4514 9.479728 146.4243 7.952015 9.027039 
12.37335 
1 1 1 8   4   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   4   15 o 220.7711 5.854032  10260.59       471.4492 10240.83       
545.1862 10319.20       938.7596 220.6084 5.886320 220.9337 10.12077 
-0.3253021     11.70806 
1 1 1 8   4   16 o 381.0004 12.23554  31384.52       1834.949 30604.91       
3183.363 31772.45       2245.534 375.8592 20.17354 386.1415 13.85142 -10.28235 
24.47107 
1 1 1 8   4   17 o 297.7354 8.240463  18787.37       893.2750 18945.94       
1782.548 18734.19       1032.239 297.6600 14.26402 297.8108 8.255833 
-0.1507874     16.48093 
1 1 1 8   4   18 o 58.26719 4.734057  728.0560       105.8300 686.5193       
191.1026 746.4291       127.0988 56.98820 7.987352 59.54618 5.084034 -2.557987 
9.468115 
1 1 1 8   4   19 o 267.9992 8.336491  15213.12       772.5443 15619.38       
1664.797 15101.63       872.1327 268.8665 14.74843 267.1320 7.776385 1.734558 
16.67298 
1 1 1 8   4   20 o 132.2446 4.353962  3667.527       228.2469 3775.999       
396.7197 3613.857       279.0585 133.5623 7.074907 130.9268 5.076775 2.635559 
8.707925 
1 1 1 8   4   21 o 111.7436 3.892254  2734.562       167.9470 2378.585       
292.8852 2908.954       204.9984 105.9769 6.582745 117.5102 4.155240 -11.53324 
7.784507 
1 1 1 8   4   22 o 30.36910 5.399757  88.11600       80.09484 455.5342       
153.0460 -50.46996      93.99425 45.50958 8.319397 15.22862 6.886009 30.28096 
10.79951 
1 1 1 8   4   23 o 62.58205 3.933577  779.7690       95.37118 958.2861       
179.5275 709.5823       112.5689 67.19347 6.363926 57.97063 4.625210 9.222839 
7.867155 
1 1 1 8   4   24 o 72.17761 3.721565  1035.539       99.25939 1243.421       
201.6226 969.0399       114.0357 76.55849 6.272880 67.79674 4.006388 8.761749 
7.443129 
1 1 1 8   4   25 o 114.6041 3.774767  2794.430       176.0740 2714.176       
284.2642 2844.385       224.2770 113.1458 5.984184 116.0624 4.602717 -2.916634 
7.549534 
1 1 1 8   4   26 o 27.54901 6.606591  144.2081       86.52293 187.9230       
152.9249 123.6255       104.9333 30.25308 10.17551 24.84494 8.428952 5.408148 
13.21318 
1 1 1 8   4   27 o 130.1632 4.100058  3639.560       219.4698 3430.414       
341.2300 3787.119       286.6183 126.7422 6.412791 133.5842 5.110577 -6.842033 
8.200115 
1 1 1 8   4   28 o 73.52473 3.416856  1091.401       94.77829 1281.767       
185.2533 1023.906       110.3080 77.47349 5.695526 69.57597 3.776320 7.897514 
6.833711 
1 1 1 8   4   29 o 99.38124 4.322535  2154.821       160.5317 2052.205       
302.5726 2195.023       189.3845 97.15347 7.418096 101.6090 4.439492 -4.455544 
8.645070 
1 1 1 8   4   30 o 49.57057 6.318867  703.0754       108.5747 286.5093       
201.8212 872.7406       128.8016 35.26125 11.68962 63.87989 4.802619 -28.61863 
12.63773 
1 1 1 8   4   31 o 91.11053 3.817175  1722.267       126.1940 1946.308       
259.3336 1652.757       144.4495 94.19091 6.557992 88.03016 3.908459 6.160751 
7.634350 
1 1 1 8   4   32 o 67.49611 4.702226  1048.202       107.2923 944.0957       
227.9852 1077.818       121.5995 64.11002 8.470358 70.88219 4.086165 -6.772163 
9.404451 
1 1 1 8   4   33 o 18.44614 6.230806  -93.99236      105.1206 -355.5034      
275.6472 -49.48694      113.7143 20.46578 9.969174 16.42651 7.477121 4.039274 
12.46161 
1 1 1 8   4   34 o 69.11368 6.064711  1152.990       142.2639 1120.189       
301.2383 1162.406       161.3962 65.78501 10.90698 72.44235 5.306666 -6.657341 
12.12942 
1 1 1 8   4   35 o 43.53110 7.413177  494.1007       114.9270 538.2809       
259.3540 483.3056       128.2012 41.40339 13.23227 45.65881 6.687881 -4.255428 
14.82635 
1 1 1 8   4   36 o 43.06931 6.915154  470.5106       112.8623 600.2177       
213.2757 420.0597       133.0129 45.35781 11.24209 40.78081 8.055604 4.577007 
13.83031 
1 1 1 8   4   37 o 29.55313 6.375444  267.2425       106.7441 35.43290       
179.4241 394.2364       132.8026 20.96232 9.494397 38.14395 8.511261 -17.18163 
12.75089 
1 1 1 8   5   0  f 120.0595 2.152219  3003.772       107.8656 2820.498       
143.5637 3241.350       163.4547 115.8886 2.950700 124.2305 3.133936 -8.341911 
4.304438 
1 1 1 8   5   1  o 79.76329 2.236405  1301.280       73.07085 1188.767       
92.10905 1492.312       120.0204 75.23650 2.916049 84.29008 3.391560 -9.053581 
4.472809 
1 1 1 8   5   2  o 242.1221 4.214967  12332.25       428.3028 11978.61       
606.7181 12683.55       604.7101 238.6539 6.055352 245.5903 5.864853 -6.936356 
8.429934 
1 1 1 8   5   3  o 297.8568 3.370470  18546.52       413.2901 19140.33       
656.7184 18157.12       531.8081 301.7516 5.183829 293.9620 4.309082 7.789581 
6.740940 
1 1 1 8   5   4  o 290.1479 4.814140  17684.48       475.9960 17663.23       
534.7610 17765.54       1044.432 289.9309 4.393254 290.3649 8.567561 
-0.4339905     9.628281 
1 1 1 8   5   5  o 231.1676 3.786650  11393.61       332.6743 10856.55       
612.5720 11618.26       396.1906 227.1741 6.422726 235.1610 4.012914 -7.986908 
7.573301 
1 1 1 8   5   6  o 125.1065 2.624435  3339.826       134.3259 3553.269       
174.8900 3032.784       209.7600 130.0691 3.202668 120.1439 4.158552 9.925217 
5.248870 
1 1 1 8   5   7  o 493.7914 5.108050  51406.03       1051.064 52028.19       
1407.982 50622.93       1579.641 497.2573 6.744303 490.3254 7.673531 6.931915 
10.21610 
1 1 1 8   5   8  o 133.6330 3.381642  3750.698       189.4772 3799.573       
275.8344 3707.032       260.7260 134.4532 4.886505 132.8128 4.675904 1.640411 
6.763284 
1 1 1 8   5   9  o 449.2544 7.197632  42598.89       1354.634 42619.44       
1981.996 42580.88       1855.715 449.2756 10.50778 449.2333 9.839217 
0.4229736E-01  14.39526 
1 1 1 8   5   10 o 257.2320 4.992829  13956.74       531.8030 13744.01       
819.6956 14111.36       698.8443 255.4769 7.642265 258.9872 6.427221 -3.510315 
9.985659 
1 1 1 8   5   11 o 464.0501 9.408004  45644.89       1832.773 44958.34       
2589.729 46333.79       2594.142 460.5240 13.39439 467.5762 13.21485 -7.052246 
18.81601 
1 1 1 8   5   12 o 126.9493 2.824575  3407.609       144.7913 3466.780       
182.2599 3306.380       238.3919 128.4690 3.379201 125.4296 4.527020 3.039375 
5.649151 
1 1 1 8   5   13 o 336.6234 9.499693  23895.47       1185.100 23732.48       
1380.936 24350.99       2308.612 335.2868 9.810207 337.9599 16.27073 -2.673096 
18.99939 
1 1 1 8   5   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   5   15 o 277.9626 7.695885  16343.92       894.3800 16401.92       
1327.482 16295.71       1210.311 278.3151 11.36090 277.6102 10.38443 0.7049561 
15.39177 
1 1 1 8   5   16 o 318.7476 9.600734  21677.18       1165.493 21500.33       
2156.734 21750.14       1385.167 316.8915 16.21090 320.6037 10.29093 -3.712219 
19.20147 
1 1 1 8   5   17 o 239.2969 7.041989  12156.41       605.9214 12063.83       
1227.515 12186.23       696.7179 238.1558 12.27684 240.4380 6.901999 -2.282272 
14.08398 
1 1 1 8   5   18 o 65.54906 4.460319  870.9897       113.9206 998.5423       
209.5595 817.4826       135.7277 68.78116 7.257031 62.31696 5.187802 6.464203 
8.920638 
1 1 1 8   5   19 o 81.94516 3.817887  1384.658       123.0306 1500.315       
219.8318 1331.911       148.4580 84.33494 6.208747 79.55538 4.444829 4.779556 
7.635774 
1 1 1 8   5   20 o 162.0025 5.352831  5539.139       318.8129 5599.075       
627.6690 5518.299       370.1113 162.2446 9.214706 161.7604 5.449807 0.4841766 
10.70566 
1 1 1 8   5   21 o 136.1343 3.170909  3844.625       168.9270 4072.508       
303.1360 3741.983       203.4445 138.9244 5.197329 133.3442 3.634066 5.580154 
6.341818 
1 1 1 8   5   22 o 121.6484 3.548863  3071.830       172.7380 3298.101       
297.2797 2956.492       212.2455 124.8740 5.670407 118.4228 4.268980 6.451195 
7.097725 
1 1 1 8   5   23 f 135.7526 3.972640  3903.266       208.8589 3896.195       
376.3797 3906.413       251.0605 135.4421 6.619019 136.0630 4.395005 
-0.6209259     7.945280 
1 1 1 8   5   24 o 53.12860 4.355438  599.1924       92.00089 596.8347       
157.5908 600.4114       113.3155 52.96145 7.087484 53.29575 5.064280 
-0.3343048     8.710876 
1 1 1 8   5   25 o 93.11893 3.359390  1867.459       128.5383 1601.851       
193.8167 2076.004       171.7402 87.02120 5.305022 99.21665 4.122952 -12.19545 
6.718780 
1 1 1 8   5   26 o 102.3387 2.987589  2220.464       126.2269 2153.266       
195.6566 2268.372       165.2056 100.9528 4.616333 103.7247 3.793707 -2.771881 
5.975178 
1 1 1 8   5   27 o 150.2585 4.089095  4796.596       234.5290 4811.189       
433.6694 4790.564       278.8193 150.0179 6.885521 150.4992 4.412754 
-0.4813080     8.178190 
1 1 1 8   5   28 o 145.0627 4.120853  4468.694       220.0941 4540.905       
432.3221 4443.431       255.7126 145.2711 7.088414 144.8542 4.204771 0.4169922 
8.241706 
1 1 1 8   5   29 o 82.07434 3.221157  1402.596       99.14049 1497.763       
191.6529 1367.827       115.8442 83.71450 5.453002 80.43418 3.430478 3.280319 
6.442314 
1 1 1 8   5   30 o 80.68094 4.140526  1354.617       127.3039 1516.301       
241.8625 1292.658       149.7219 83.50343 6.898987 77.85846 4.580371 5.644966 
8.281052 
1 1 1 8   5   31 o 68.61050 8.009624  1049.432       230.7181 1049.432       
230.7181 0.000000       0.000000 68.61050 8.009624 ?        ?        ? ? 
1 1 1 8   5   32 o 66.44273 4.621843  970.6091       112.0730 983.6497       
221.5485 966.1245       129.9224 65.91471 8.005851 66.97076 4.620831 -1.056046 
9.243686 
1 1 1 8   5   33 o 106.0194 5.206092  2549.413       193.9891 2552.433       
400.8585 2548.490       221.6754 103.7953 9.198872 108.2435 4.877944 -4.448181 
10.41218 
1 1 1 8   5   34 o 83.04681 5.148448  1527.381       150.2155 1706.179       
318.7370 1476.329       170.3159 84.05896 9.031701 82.03467 4.945142 2.024292 
10.29690 
1 1 1 8   5   35 o 22.13386 6.872877  38.48244       106.3490 55.78625       
222.9466 33.38522       121.0031 24.73049 10.92696 19.53723 8.339505 5.193254 
13.74575 
1 1 1 8   5   36 o 36.46223 7.204982  295.4554       108.6080 605.2174       
211.6756 184.7689       126.5331 46.16819 11.05123 26.75627 9.247561 19.41191 
14.40996 
1 1 1 8   5   37 o 20.51480 6.378381  45.95463       102.1050 48.96805       
175.9076 44.42347       125.3902 21.58840 9.602317 19.44119 8.398242 2.147213 
12.75676 
1 1 1 8   5   38 o 45.33544 5.607199  656.8958       126.4509 49.18944       
187.1635 1167.240       171.5164 20.97741 9.560409 69.69347 5.861851 -48.71606 
11.21440 
1 1 1 8   6   0  o 178.3631 3.216528  6697.063       238.3344 6768.441       
315.9415 6602.805       363.0611 179.4823 4.192819 177.2440 4.878984 2.238358 
6.433056 
1 1 1 8   6   1  o 263.4684 4.282583  14593.44       473.3806 14451.34       
655.9326 14747.90       683.8630 262.1382 5.960050 264.7985 6.151412 -2.660217 
8.565166 
1 1 1 8   6   2  o 169.0116 2.958472  5983.581       207.7073 6124.015       
319.3840 5880.653       273.4266 170.7146 4.456188 167.3086 3.892635 3.406052 
5.916943 
1 1 1 8   6   3  o 63.76059 2.268070  853.5143       60.61253 848.0977       
83.22246 859.6335       88.45473 63.54615 3.119409 63.97503 3.293303 
-0.4288750     4.536139 
1 1 1 8   6   4  o 71.72025 2.397903  1078.249       71.24168 1332.627       
104.1563 854.6177       97.65916 79.65644 3.114480 63.78406 3.646883 15.87238 
4.795805 
1 1 1 8   6   5  o 86.71413 2.354525  1575.848       85.60490 1647.033       
125.0588 1513.084       117.4284 88.55223 3.363843 84.87603 3.295406 3.676201 
4.709049 
1 1 1 8   6   6  o 30.23090 4.205037  196.3019       52.28434 161.6097       
72.93243 232.9822       74.99306 27.17190 6.475970 33.28991 5.365740 -6.118006 
8.410074 
1 1 1 8   6   7  f 68.78865 2.427767  997.4283       69.72462 956.1778       
102.9516 1032.381       94.76707 67.46761 3.634620 70.10970 3.219589 -2.642097 
4.855534 
1 1 1 8   6   8  o 310.0361 5.294279  20324.64       615.4683 20433.18       
723.9854 20041.79       1168.753 311.7418 5.531665 308.3304 9.028746 3.411316 
10.58856 
1 1 1 8   6   9  o 415.4895 6.547577  36179.45       915.6552 36779.13       
2047.852 36029.60       1023.686 417.0687 11.69532 413.9103 5.890897 3.158417 
13.09515 
1 1 1 8   6   10 o 222.2499 3.806795  10490.82       316.3251 10151.54       
600.6967 10621.00       372.0968 219.6580 6.513724 224.8418 3.941848 -5.183823 
7.613591 
1 1 1 8   6   11 o 102.9091 2.510676  2224.240       107.7493 2581.576       
155.4983 1894.193       149.4430 110.8626 3.340884 94.95557 3.748662 15.90707 
5.021351 
1 1 1 8   6   12 o 162.4524 2.760446  5510.561       187.0124 5827.428       
284.3200 5268.935       248.2794 166.5373 4.066464 158.3675 3.734183 8.169754 
5.520892 
1 1 1 8   6   13 o 152.7361 4.468523  4814.696       257.6734 4698.821       
302.2471 5122.962       492.9797 149.5115 4.815135 155.9606 7.528962 -6.449097 
8.937046 
1 1 1 8   6   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   6   15 o 173.3285 5.182799  6265.858       329.5411 6459.369       
654.7453 6200.207       381.3671 174.9552 8.913877 171.7019 5.290409 3.253296 
10.36560 
1 1 1 8   6   16 o 454.2687 12.25157  44513.04       2190.151 43589.62       
3806.260 44970.12       2677.883 448.9573 20.19364 459.5800 13.87879 -10.62277 
24.50314 
1 1 1 8   6   17 o 255.4717 8.028957  13804.87       769.8794 13953.30       
1466.855 13748.43       904.4695 255.7970 13.65880 255.1464 8.443560 0.6506500 
16.05791 
1 1 1 8   6   18 o 154.3609 5.275332  4881.503       311.1490 5387.732       
587.9933 4684.615       366.6982 159.5910 8.775764 149.1307 5.856833 10.46034 
10.55066 
1 1 1 8   6   19 o 173.1533 5.511117  6141.604       361.4980 6802.529       
693.5557 5895.070       423.5875 179.0956 9.223963 167.2110 6.033919 11.88461 
11.02223 
1 1 1 8   6   20 o 114.3881 3.248339  2787.637       150.3007 2630.052       
244.4708 2883.396       190.5718 111.7071 5.212754 117.0691 3.877374 -5.361946 
6.496678 
1 1 1 8   6   21 o 81.69395 3.384735  1396.343       107.2781 1434.400       
194.1879 1379.627       128.7003 82.42506 5.611566 80.96286 3.786297 1.462196 
6.769469 
1 1 1 8   6   22 o 92.82346 3.641767  1879.789       127.1445 1680.583       
233.8235 1963.417       151.4997 89.08584 6.251736 96.56108 3.737066 -7.475243 
7.283534 
1 1 1 8   6   23 o 182.0911 4.638195  7060.041       353.4463 6535.425       
505.9022 7560.274       494.0071 175.3639 6.871436 188.8183 6.231754 -13.45438 
9.276389 
1 1 1 8   6   24 o 130.9049 3.203101  3562.364       174.6479 3166.250       
230.2772 4098.737       267.9630 122.4772 4.478338 139.3326 4.580822 -16.85537 
6.406203 
1 1 1 8   6   25 o 66.05593 3.539508  900.5352       87.09837 969.3118       
170.6188 876.2957       101.2906 67.62355 6.009660 64.48831 3.741184 3.135239 
7.079016 
1 1 1 8   6   26 o 119.2326 3.675214  2987.209       168.3282 3059.059       
309.7180 2957.090       200.5300 120.0578 6.144651 118.4075 4.033863 1.650253 
7.350428 
1 1 1 8   6   27 o 93.13837 3.335233  1717.475       113.7187 2081.564       
234.8086 1605.910       129.9792 99.00980 5.648808 87.26692 3.547686 11.74288 
6.670466 
1 1 1 8   6   28 o 91.75174 3.637170  1820.064       118.6756 1729.402       
241.3738 1848.968       136.2860 89.91404 6.394164 93.58944 3.468530 -3.675400 
7.274341 
1 1 1 8   6   29 o 108.2290 3.324288  2432.571       135.8078 2622.540       
260.3337 2361.544       159.1843 110.7821 5.597344 105.6760 3.587939 5.106079 
6.648577 
1 1 1 8   6   30 o 83.63940 3.627365  1539.080       113.6908 1396.195       
210.6926 1597.774       135.0378 80.45549 6.237558 86.82330 3.704590 -6.367813 
7.254731 
1 1 1 8   6   31 o 82.77295 4.169830  1448.688       129.1665 1561.162       
250.3961 1407.907       150.7758 84.36169 7.069740 81.18421 4.423654 3.177475 
8.339661 
1 1 1 8   6   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   6   33 o 59.60979 6.116422  862.9700       121.7414 766.5665       
247.5202 893.7331       139.8229 55.19461 11.07178 64.02497 5.201756 -8.830360 
12.23284 
1 1 1 8   6   34 o 41.56571 7.100430  450.5375       109.8193 392.2246       
235.5003 466.7418       124.1436 37.62040 12.62736 45.51102 6.497240 -7.890629 
14.20086 
1 1 1 8   6   35 o 32.01157 7.288226  280.5314       111.4147 189.7038       
217.5470 312.8245       129.7177 28.79129 11.62868 35.23184 8.789010 -6.440550 
14.57645 
1 1 1 8   6   36 o 37.33621 7.089387  395.8481       111.1345 324.3116       
207.9922 424.4324       131.4762 33.18506 11.81780 41.48736 7.834358 -8.302299 
14.17877 
1 1 1 8   6   37 o 34.55113 5.448338  349.9168       110.8464 -121.1408      
186.1712 608.6171       137.9666 18.37094 8.762268 50.73132 6.477670 -32.36038 
10.89668 
1 1 1 8   6   38 o 20.47552 6.385748  52.04382       112.2932 -62.42656      
183.5983 120.4582       141.9370 18.61210 8.800775 22.33894 9.255133 -3.726843 
12.77150 
1 1 1 8   7   0  o 132.2563 2.323685  3678.990       127.4297 3640.974       
195.7209 3706.964       167.8892 131.6564 3.540922 132.8562 3.009969 -1.199814 
4.647369 
1 1 1 8   7   1  o 112.0951 2.391110  2552.634       108.5843 2333.751       
134.4269 2963.577       184.1925 105.4141 3.037448 118.7762 3.693717 -13.36214 
4.782220 
1 1 1 8   7   2  o 395.8498 6.428515  33037.92       1068.182 33231.71       
1499.391 32838.20       1522.139 397.0465 8.994865 394.6530 9.186709 2.393463 
12.85703 
1 1 1 8   7   3  o 89.53242 2.423688  1664.985       90.50690 1954.573       
135.7227 1433.083       121.4548 96.46617 3.351185 82.59866 3.502374 13.86751 
4.847377 
1 1 1 8   7   4  o 236.2149 3.857244  11785.46       348.1434 11863.63       
414.7292 11598.93       640.6281 237.6237 4.157153 234.8061 6.498569 2.817627 
7.714488 
1 1 1 8   7   5  o 191.2996 2.949555  7552.945       231.3742 8304.901       
376.5704 7096.903       293.2591 198.7986 4.511842 183.8007 3.800366 14.99789 
5.899110 
1 1 1 8   7   6  o 85.73952 2.520933  1526.375       90.00806 1412.813       
118.4747 1681.396       138.4216 82.01324 3.440826 89.46581 3.685257 -7.452560 
5.041865 
1 1 1 8   7   7  o 163.8799 2.101066  5522.112       136.9697 5287.203       
167.0043 6004.825       239.3993 158.6781 2.506869 169.0817 3.372464 -10.40352 
4.202132 
1 1 1 8   7   8  o 335.4641 6.168009  23725.00       868.3730 23401.49       
1239.885 24036.46       1216.577 333.1971 8.863415 337.7310 8.580048 -4.533936 
12.33602 
1 1 1 8   7   9  o 398.9421 6.046769  33464.05       1000.444 34016.86       
1545.474 33065.30       1312.570 401.6570 9.164890 396.2273 7.890402 5.429718 
12.09354 
1 1 1 8   7   10 o 480.6355 9.546817  48953.26       1924.853 48584.54       
2664.335 49355.82       2783.905 478.8279 13.25349 482.4430 13.74452 -3.615082 
19.09363 
1 1 1 8   7   11 o 261.0852 5.230113  14338.14       572.8043 14031.54       
790.9068 14676.36       830.6921 258.1631 7.297132 264.0073 7.494543 -5.844238 
10.46023 
1 1 1 8   7   12 o 311.9180 5.900386  20481.95       743.6724 20584.36       
1233.261 20423.44       932.2342 312.3650 9.404022 311.4710 7.128997 0.8939819 
11.80077 
1 1 1 8   7   13 o 246.7738 6.686854  12547.22       559.9531 12341.61       
625.9517 13370.94       1252.853 242.2030 6.155769 251.3445 11.87277 -9.141510 
13.37371 
1 1 1 8   7   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   7   15 o 148.9640 4.663363  4703.814       268.6698 4587.805       
482.8304 4755.846       323.3546 147.5398 7.794829 150.3882 5.121372 -2.848465 
9.326726 
1 1 1 8   7   16 o 180.0238 4.378649  6836.434       313.0178 6778.131       
537.3256 6866.382       385.1121 179.3591 7.135675 180.6886 5.076654 -1.329422 
8.757298 
1 1 1 8   7   17 o 318.2342 9.619779  21434.23       1195.477 22009.15       
2135.265 21171.74       1442.804 320.4454 15.87153 316.0230 10.87451 4.422394 
19.23956 
1 1 1 8   7   18 o 99.42545 3.737580  2125.729       149.1082 1918.536       
243.8372 2249.484       188.4490 95.42787 6.086193 103.4230 4.340079 -7.995163 
7.475161 
1 1 1 8   7   19 o 110.4267 3.901218  2642.697       169.4532 2347.313       
287.4070 2800.092       209.7970 105.4855 6.489714 115.3679 4.331470 -9.882416 
7.802437 
1 1 1 8   7   20 o 88.23357 3.439073  1684.896       115.2089 1532.126       
209.7126 1750.933       137.8786 85.22258 5.861259 91.24455 3.599242 -6.021973 
6.878147 
1 1 1 8   7   21 o 81.64902 3.929502  1424.446       125.6026 1358.142       
219.3521 1456.791       153.2056 80.13423 6.519958 83.16380 4.387948 -3.029572 
7.859004 
1 1 1 8   7   22 o 68.59816 3.824154  950.5136       99.69332 1097.032       
191.9365 896.3810       116.6650 71.97781 6.351554 65.21851 4.260796 6.759293 
7.648308 
1 1 1 8   7   23 o 88.52590 3.546331  1688.033       125.2694 1546.358       
208.1975 1768.428       156.8350 85.46168 5.802633 91.59013 4.078641 -6.128448 
7.092663 
1 1 1 8   7   24 o 179.4998 3.432104  6767.333       247.4482 6945.029       
418.0037 6671.467       307.0246 181.1398 5.496514 177.8598 4.111652 3.279968 
6.864208 
1 1 1 8   7   25 o 93.17561 3.325073  1938.653       121.2106 1496.095       
198.0401 2203.741       153.2722 84.06621 5.611162 102.2850 3.569214 -18.21881 
6.650145 
1 1 1 8   7   26 o 209.1340 4.716711  9304.577       361.8826 9280.650       
711.9186 9312.914       420.2230 208.3148 8.140127 209.9532 4.767364 -1.638397 
9.433421 
1 1 1 8   7   27 o 127.2168 3.424958  3466.290       155.6769 3343.830       
316.0422 3505.523       178.8843 125.4459 6.000808 128.9877 3.303278 -3.541794 
6.849916 
1 1 1 8   7   28 o 80.17641 3.480756  1340.616       104.2012 1414.723       
202.3248 1313.864       121.5630 81.47181 5.915111 78.88102 3.670709 2.590790 
6.961511 
1 1 1 8   7   29 o 109.5142 3.525328  2494.495       141.2554 2670.781       
283.8689 2436.478       162.8488 111.6776 6.054423 107.3508 3.613270 4.326843 
7.050656 
1 1 1 8   7   30 o 46.81792 4.943012  469.3774       81.80295 506.8909       
164.8942 457.1311       94.21383 47.33256 8.616574 46.30327 4.846454 1.029293 
9.886024 
1 1 1 8   7   31 o 18.16348 5.594101  0.3221577      74.98284 -104.1719      
153.9771 32.80548       85.85004 18.40716 8.497592 17.91981 7.277829 0.4873505 
11.18820 
1 1 1 8   7   32 o 82.17487 3.720475  1388.319       108.7939 1599.286       
231.0291 1328.205       123.3237 85.39293 6.444153 78.95682 3.720301 6.436111 
7.440951 
1 1 1 8   7   33 o 69.90407 5.544808  1111.060       127.7764 1104.818       
286.5602 1112.609       142.7534 68.08346 10.02525 71.72468 4.740662 -3.641220 
11.08962 
1 1 1 8   7   34 o 85.01018 4.610089  1643.737       150.7261 1565.034       
269.0113 1679.750       181.9722 82.32021 7.783683 87.70015 4.942263 -5.379936 
9.220178 
1 1 1 8   7   35 o 46.22189 6.582038  599.1094       112.2845 381.8578       
207.9812 688.4802       133.3951 36.95863 11.85331 55.48514 5.726435 -18.52651 
13.16408 
1 1 1 8   7   36 o 40.85367 6.864781  451.0939       110.8805 395.9426       
207.3586 473.1781       131.2158 36.73121 11.84110 44.97613 6.949044 -8.244915 
13.72956 
1 1 1 8   7   37 o 49.83924 5.657503  740.6547       126.1441 58.00373       
183.8150 1348.329       173.4272 22.61082 9.964917 77.06767 5.360016 -54.45684 
11.31501 
1 1 1 8   7   38 o 21.25115 6.481381  80.20886       105.1465 24.99240       
180.9707 108.3477       129.1895 20.68261 9.419301 21.81969 8.905616 -1.137074 
12.96276 
1 1 1 8   8   0  o 342.3190 4.665634  24663.26       669.4643 24803.33       
922.5318 24507.43       973.0150 343.3694 6.399424 341.2686 6.791165 2.100800 
9.331267 
1 1 1 8   8   1  o 430.4660 4.884855  38962.88       881.0429 39492.11       
1291.295 38501.93       1205.128 433.1683 7.100517 427.7638 6.710431 5.404510 
9.769710 
1 1 1 8   8   2  o 356.2396 3.466647  26659.08       517.9745 26985.32       
751.2025 26363.38       715.1778 358.3078 4.993693 354.1714 4.809740 4.136383 
6.933294 
1 1 1 8   8   3  o 89.70113 2.307324  1675.005       85.45285 1611.692       
110.2742 1770.167       135.1954 87.60214 2.998337 91.80010 3.507842 -4.197960 
4.614648 
1 1 1 8   8   4  o 161.2357 2.760961  5403.350       166.9979 5333.544       
195.5897 5591.131       320.7968 159.3627 2.923347 163.1086 4.684619 -3.745865 
5.521922 
1 1 1 8   8   5  o 208.6024 3.029014  9145.799       264.5721 9108.751       
388.1717 9177.943       361.5665 208.2003 4.440824 209.0045 4.120534 
-0.8042297     6.058029 
1 1 1 8   8   6  o 422.0635 7.550119  37615.80       1322.867 37606.43       
1745.306 37628.45       2027.991 422.1891 9.846583 421.9380 11.44823 0.2510376 
15.10024 
1 1 1 8   8   7  o 361.8959 6.320679  27616.81       937.2158 27567.86       
1497.870 27648.31       1201.460 361.4663 9.870229 362.3255 7.898259 
-0.8591614     12.64136 
1 1 1 8   8   8  o 343.9519 4.910064  25310.62       654.5743 23804.46       
1160.526 26013.33       792.7004 336.1469 8.223310 351.7570 5.367690 -15.61005 
9.820128 
1 1 1 8   8   9  o 212.1548 4.229230  9462.561       376.4899 9575.578       
542.8362 9357.805       522.6137 213.3696 6.059785 210.9400 5.901234 2.429596 
8.458461 
1 1 1 8   8   10 o 154.7864 2.924542  5040.061       177.8963 5016.905       
312.1067 5051.204       216.5098 154.4975 4.811747 155.0754 3.325489 
-0.5779572     5.849084 
1 1 1 8   8   11 o 277.8703 4.515985  16518.85       460.7524 15676.33       
895.3743 16822.31       537.3611 272.8142 7.817334 282.9263 4.523911 -10.11206 
9.031970 
1 1 1 8   8   12 o 209.9522 3.514664  9217.180       266.6531 9170.379       
306.6183 9362.426       540.1621 208.9386 3.495428 210.9658 6.098642 -2.027191 
7.029328 
1 1 1 8   8   13 o 517.6000 14.40667  57246.86       2926.151 58655.94       
5171.310 56583.22       3548.946 520.0863 23.68352 515.1136 16.41034 4.972717 
28.81334 
1 1 1 8   8   14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   8   15 o 200.1640 4.857073  8332.676       382.6515 8734.125       
677.5845 8144.695       463.6646 203.5567 7.928648 196.7712 5.612592 6.785477 
9.714147 
1 1 1 8   8   16 o 359.3528 11.35469  27853.14       1625.816 26838.19       
2745.576 28401.23       2017.589 353.1747 18.51676 365.5310 13.14709 -12.35626 
22.70939 
1 1 1 8   8   17 o 209.5132 5.162384  9181.769       408.4233 9423.942       
774.2617 9088.403       480.7498 211.2135 8.731464 207.8130 5.510203 3.400589 
10.32477 
1 1 1 8   8   18 o 156.6828 3.958413  5184.249       255.8634 5084.882       
398.8789 5253.720       333.5204 155.3576 6.115468 158.0080 5.027642 -2.650452 
7.916826 
1 1 1 8   8   19 o 268.5832 6.509721  15208.39       672.8665 15497.75       
1232.255 15085.47       803.1774 269.8800 10.87554 267.2865 7.157404 2.593506 
13.01944 
1 1 1 8   8   20 o 220.7443 5.252192  10275.50       450.7580 10394.98       
809.4211 10221.79       542.6984 221.3533 8.709828 220.1354 5.872049 1.217896 
10.50438 
1 1 1 8   8   21 o 51.28930 4.581145  631.2985       79.06601 437.5115       
150.3798 705.3357       92.95065 44.68559 8.326020 57.89301 3.824260 -13.20742 
9.162291 
1 1 1 8   8   22 o 58.70143 4.079142  789.7604       88.63119 589.1745       
158.0403 881.7922       107.0500 52.69602 7.143500 64.70684 3.940557 -12.01082 
8.158283 
1 1 1 8   8   23 o 72.30069 3.739639  1184.004       103.0134 896.4709       
175.7527 1334.479       127.1425 65.01355 6.439013 79.58783 3.805092 -14.57428 
7.479279 
1 1 1 8   8   24 o 104.9444 2.857751  2282.447       116.5993 2427.485       
211.9640 2219.516       139.6224 107.2102 4.709201 102.6787 3.238887 4.531487 
5.715502 
1 1 1 8   8   25 o 72.19170 3.607530  1166.935       99.28275 934.3478       
172.4883 1282.171       121.4115 66.37420 6.189867 78.00920 3.707107 -11.63500 
7.215060 
1 1 1 8   8   26 o 80.35101 3.156529  1368.552       94.25420 1350.391       
181.4991 1375.258       110.2922 79.88017 5.411986 80.82185 3.250402 
-0.9416733     6.313058 
1 1 1 8   8   27 o 176.5245 4.372612  6637.724       258.0960 6595.699       
577.8790 6648.196       288.4655 175.5174 7.842199 177.5316 3.870252 -2.014267 
8.745224 
1 1 1 8   8   28 o 78.60249 3.402448  1311.787       97.34116 1304.684       
193.7574 1314.184       112.5796 78.27148 5.896248 78.93352 3.397186 
-0.6620407     6.804896 
1 1 1 8   8   29 o 27.84487 6.325968  110.9424       76.13257 298.1235       
161.4701 57.43526       86.33102 36.16073 10.19671 19.52900 7.489899 16.63173 
12.65194 
1 1 1 8   8   30 o 37.47441 5.404112  214.3715       77.37172 587.0014       
165.4047 109.9980       87.53951 51.93457 7.585993 23.01427 7.698728 28.92030 
10.80822 
1 1 1 8   8   31 o 77.26498 3.642114  1337.461       103.3599 1155.295       
194.7550 1408.889       121.9516 73.01794 6.353018 81.51201 3.563584 -8.494064 
7.284227 
1 1 1 8   8   32 o 28.74423 6.033647  186.1329       96.98176 -52.59249      
160.6630 322.9832       121.6437 20.09559 9.049182 37.39286 7.983226 -17.29727 
12.06729 
1 1 1 8   8   33 o 30.84298 7.534599  166.5170       105.2455 371.9261       
219.4254 105.1417       119.9427 38.13585 12.16944 23.55011 8.887378 14.58574 
15.06920 
1 1 1 8   8   34 o 49.65110 6.107067  538.4012       110.8235 697.0141       
220.1500 484.5639       128.2599 52.81799 10.29525 46.48421 6.572137 6.333778 
12.21413 
1 1 1 8   8   35 o 27.04329 11.03161  142.5496       198.1255 142.5496       
198.1255 0.000000       0.000000 27.04329 11.03161 ?        ?        ? ? 
1 1 1 8   8   36 o 59.81995 6.205515  955.4774       132.7524 665.0082       
223.6903 1113.402       164.9386 49.25652 11.08501 70.38338 5.581785 -21.12687 
12.41103 
1 1 1 8   8   37 o 32.69746 5.504605  290.3249       108.0679 -128.0049      
179.7761 527.0179       135.2276 18.15660 8.643500 47.23832 6.818550 -29.08171 
11.00921 
1 1 1 8   8   38 o 32.92622 6.902205  339.2410       112.3400 193.7239       
186.0931 422.6775       140.9131 26.29129 10.70257 39.56115 8.718753 -13.26985 
13.80441 
1 1 1 8   8   39 o 17.07902 5.722736  -57.30852      99.70096 -22.37206      
183.2542 -71.99767      118.8264 19.17453 8.990772 14.98351 7.082714 4.191013 
11.44547 
1 1 1 8   9   0  o 327.3855 4.124517  22529.22       554.3210 22487.80       
712.5237 22592.72       882.2506 327.0666 5.189005 327.7044 6.412550 
-0.6377869     8.249035 
1 1 1 8   9   1  o 15.33981 4.059461  32.15221       36.41265 58.03036       
52.41992 8.022716       50.61789 17.40026 5.957514 13.27936 5.515880 4.120902 
8.118922 
1 1 1 8   9   2  o 230.8992 3.836685  11200.77       370.3254 11121.42       
500.1758 11297.04       550.9343 230.0107 5.179593 231.7877 5.661487 -1.776978 
7.673370 
1 1 1 8   9   3  o 190.8915 2.642545  7665.334       211.3633 7849.098       
292.0382 7463.188       306.2971 193.3024 3.598516 188.4805 3.870771 4.821945 
5.285091 
1 1 1 8   9   4  o 371.9307 5.962308  29032.68       925.0965 30125.19       
1399.730 28185.35       1232.698 378.0539 8.818843 365.8074 8.026486 12.24652 
11.92462 
1 1 1 8   9   5  o 140.1245 2.200475  4108.472       128.4120 4008.230       
170.1744 4241.030       195.6916 138.1508 2.934012 142.0981 3.280235 -3.947281 
4.400950 
1 1 1 8   9   6  o 314.0223 4.115186  20736.97       468.3877 20736.99       
540.0732 20736.92       940.8337 314.1640 4.094655 313.8806 7.139526 0.2833252 
8.230372 
1 1 1 8   9   7  f 236.9919 4.274216  11804.13       417.8829 11765.90       
542.3483 11859.97       655.5724 236.5622 5.460773 237.4216 6.576904 
-0.8594208     8.548432 
1 1 1 8   9   8  o 581.3320 8.611692  71492.91       1535.180 71489.19       
1674.216 71512.59       3847.648 582.8463 6.841928 579.8176 15.80611 3.028687 
17.22338 
1 1 1 8   9   9  o 197.3265 3.552394  8197.259       293.7169 8426.387       
406.4228 7946.761       424.9533 200.2272 4.834774 194.4258 5.206051 5.801376 
7.104788 
1 1 1 8   9   10 o 416.3424 4.995981  36388.63       808.3504 36228.56       
972.8069 36745.70       1452.947 415.0799 5.582336 417.6049 8.287148 -2.524963 
9.991962 
1 1 1 8   9   11 o 495.9192 7.787757  51394.01       1099.668 52772.98       
3033.844 51185.43       1179.905 498.4868 14.49641 493.3515 5.696548 5.135284 
15.57551 
1 1 1 8   9   12 o 338.5808 5.456822  23923.25       710.8340 24703.75       
1307.717 23595.93       846.8716 342.2395 9.101325 334.9221 6.022749 7.317322 
10.91364 
1 1 1 8   9   13 o 370.7346 10.53903  29330.08       1452.046 29019.30       
2794.163 29445.06       1699.559 368.2473 18.07312 373.2219 10.84652 -4.974609 
21.07806 
1 1 1 8   9   14 o 386.6952 19.43872  32130.14       3155.843 0.000000       
0.000000 32130.14       3155.843 ?        ?        386.6952 19.43872 ? ? 
1 1 1 8   9   15 o 171.9837 5.234680  6265.187       357.8523 6126.506       
610.8071 6337.666       441.5714 170.4235 8.536809 173.5438 6.060562 -3.120270 
10.46936 
1 1 1 8   9   16 o 261.8894 5.874594  14255.76       574.2728 14941.52       
1114.700 14008.00       670.0331 265.8184 9.988356 257.9604 6.186775 7.858032 
11.74919 
1 1 1 8   9   17 o 246.5519 6.100021  12465.87       550.3885 13608.45       
1112.017 12095.15       633.4139 253.4609 10.45013 239.6429 6.295702 13.81805 
12.20004 
1 1 1 8   9   18 o 177.7319 4.612780  6554.497       303.7633 6879.848       
596.8382 6440.756       352.8875 180.4953 7.876111 174.9685 4.803940 5.526810 
9.225560 
1 1 1 8   9   19 o 262.5200 5.406766  14395.58       557.9257 15042.75       
989.3723 14093.82       675.5937 266.5008 8.842646 258.5391 6.224154 7.961700 
10.81353 
1 1 1 8   9   20 o 107.6316 2.923749  2491.008       124.5206 2271.587       
210.4035 2609.286       154.4783 103.8575 4.825430 111.4056 3.302794 -7.548103 
5.847498 
1 1 1 8   9   21 o 174.8264 4.134205  6495.485       263.8136 6367.589       
521.3391 6539.509       305.8653 173.4083 7.160963 176.2444 4.133671 -2.836136 
8.268411 
1 1 1 8   9   22 o 104.0413 3.295104  2205.473       134.1704 2494.117       
244.0975 2080.512       160.6083 108.6804 5.349746 99.40216 3.848515 9.278236 
6.590209 
1 1 1 8   9   23 o 39.45489 5.503564  361.7160       80.59242 282.5236       
148.0470 395.0671       96.07551 35.67665 9.650857 43.23312 5.293186 -7.556465 
11.00713 
1 1 1 8   9   24 o 130.4689 3.087751  3632.669       163.5233 3424.814       
263.6281 3762.650       208.4744 127.3076 4.932400 133.6301 3.715948 -6.322418 
6.175503 
1 1 1 8   9   25 o 121.0772 3.420053  3029.187       142.7957 3216.486       
312.2376 2979.654       160.5714 123.1799 6.037629 118.9744 3.214666 4.205536 
6.840106 
1 1 1 8   9   26 o 91.23582 3.013115  1835.720       96.18822 1611.290       
196.2542 1906.678       110.3513 87.26703 5.356606 95.20462 2.760836 -7.937592 
6.026230 
1 1 1 8   9   27 o 187.6948 3.773386  7459.732       270.9912 7464.548       
499.0477 7457.719       322.7154 187.3952 6.343145 187.9943 4.088801 
-0.5990906     7.546773 
1 1 1 8   9   28 o 158.5929 4.192160  5262.212       247.0781 5554.016       
483.0771 5158.833       287.5332 161.0205 7.145888 156.1652 4.385556 4.855301 
8.384320 
1 1 1 8   9   29 o 64.07441 4.205478  938.2451       94.52666 763.0677       
187.3228 998.0918       109.4892 59.44593 7.505674 68.70290 3.795923 -9.256969 
8.410955 
1 1 1 8   9   30 o 105.2341 3.480697  2285.075       121.5874 2483.691       
280.8479 2239.262       134.8832 107.4947 6.223074 102.9734 3.119994 4.521294 
6.961395 
1 1 1 8   9   31 o 34.17624 5.313714  143.4523       68.03444 536.1346       
164.8862 62.88047       74.68878 49.35828 7.956929 18.99421 7.044822 30.36407 
10.62743 
1 1 1 8   9   32 o 21.97063 6.453580  37.05783       95.12836 82.71672       
157.3316 10.74668       119.4327 24.56651 9.902875 19.37475 8.278154 5.191761 
12.90716 
1 1 1 8   9   33 o 36.60693 7.180818  340.4838       110.2921 263.4182       
211.6857 369.1992       129.2164 33.39775 11.91939 39.81611 8.011540 -6.418365 
14.36164 
1 1 1 8   9   34 o 29.36042 7.311662  202.4734       106.7474 174.7537       
202.5077 213.1394       125.6167 29.01676 11.39588 29.70408 9.163810 
-0.6873245     14.62332 
1 1 1 8   9   35 f 16.69567 5.653350  -135.0462      102.0270 -214.6358      
196.3824 -105.6219      119.4065 18.18585 8.751297 15.20548 7.159349 2.980371 
11.30670 
1 1 1 8   9   36 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   9   37 o 25.75813 7.289377  139.7395       108.6946 213.5499       
208.3484 112.1387       127.4067 28.56038 11.44424 22.95588 9.031584 5.604506 
14.57875 
1 1 1 8   9   38 o 28.73910 6.850579  244.0978       104.2194 139.5111       
181.3749 295.6513       127.3408 24.63208 10.34814 32.84612 8.979853 -8.214043 
13.70116 
1 1 1 8   9   39 o 19.04261 6.107698  24.56473       96.13191 37.82578       
186.8515 19.79107       112.1071 20.74017 9.486814 17.34505 7.695211 3.395128 
12.21540 
1 1 1 8   10  0  o 186.6796 2.200150  7319.979       172.4034 7495.977       
244.1112 7144.831       243.5203 188.9197 3.077738 184.4396 3.144866 4.480103 
4.400301 
1 1 1 8   10  1  o 84.34801 2.019883  1492.422       71.42583 1464.039       
98.03048 1524.541       104.2819 83.49490 2.796548 85.20111 2.915309 -1.706215 
4.039765 
1 1 1 8   10  2  o 378.4804 3.897995  30104.42       618.2837 29879.02       
847.9217 30360.34       903.4919 376.9854 5.357378 379.9754 5.663565 -2.989960 
7.795990 
1 1 1 8   10  3  o 73.87370 2.306345  1135.311       71.07419 1241.505       
108.2259 1054.779       94.24610 76.88109 3.352994 70.86633 3.167704 6.014763 
4.612691 
1 1 1 8   10  4  o 209.5474 2.903237  9252.538       252.2239 9050.941       
386.3499 9402.276       332.9698 207.5367 4.434114 211.5580 3.748837 -4.021255 
5.806474 
1 1 1 8   10  5  o 281.5275 4.373481  16658.74       516.4138 16400.50       
712.3675 16944.76       749.7009 279.2398 6.076421 283.8153 6.291777 -4.575500 
8.746963 
1 1 1 8   10  6  f 354.3173 4.926478  26358.66       638.6445 26549.86       
1266.954 26293.53       739.4649 354.9528 8.501807 353.6818 4.979960 1.270935 
9.852956 
1 1 1 8   10  7  o 392.9501 5.365115  32650.50       815.3089 32158.62       
1469.069 32869.43       980.1018 390.5643 8.959232 395.3360 5.905081 -4.771759 
10.73023 
1 1 1 8   10  8  o 446.4533 7.020156  42094.26       1202.007 41986.94       
2204.100 42139.68       1434.021 445.5654 11.78259 447.3412 7.635501 -1.775726 
14.04031 
1 1 1 8   10  9  o 257.7296 3.747372  14038.51       379.4151 13755.41       
663.3752 14176.14       462.5372 255.7175 6.179022 259.7416 4.241566 -4.024033 
7.494745 
1 1 1 8   10  10 o 124.4402 2.672053  3253.991       138.9125 3245.357       
206.8322 3261.086       187.4925 124.2849 3.963885 124.5955 3.584284 
-0.3106766     5.344107 
1 1 1 8   10  11 o 103.3510 2.398546  2267.622       94.91578 2184.961       
173.1070 2303.155       113.4980 101.9757 4.043328 104.7262 2.581392 -2.750481 
4.797091 
1 1 1 8   10  12 o 20.38606 5.138277  67.25507       52.04242 100.8334       
94.76382 52.75454       62.27374 23.10068 8.001072 17.67144 6.449063 5.429245 
10.27655 
1 1 1 8   10  13 o 337.4525 7.961156  24042.09       1077.653 24241.47       
1817.689 23934.02       1338.204 338.1530 12.80346 336.7520 9.465275 1.401001 
15.92231 
1 1 1 8   10  14 o 258.3011 8.789170  14074.10       953.1323 0.000000       
0.000000 14074.10       953.1323 ?        ?        258.3011 8.789170 ? ? 
1 1 1 8   10  15 o 41.31143 6.175776  371.8307       94.34830 354.8392       
183.8418 377.9060       109.9289 40.24833 10.69482 42.37453 6.179138 -2.126194 
12.35155 
1 1 1 8   10  16 o 324.6971 8.130635  22321.53       998.2524 22416.04       
1876.495 22284.23       1178.910 324.4838 13.77449 324.9105 8.642472 
-0.4266968     16.26127 
1 1 1 8   10  17 o 265.6822 6.821229  14846.25       677.3659 15128.37       
1302.545 14741.67       793.0327 266.9330 11.62282 264.4313 7.143306 2.501678 
13.64246 
1 1 1 8   10  18 o 122.6005 3.827328  3147.269       174.9170 3201.426       
337.9051 3127.444       204.4399 123.2371 6.530921 121.9639 3.992596 1.273155 
7.654655 
1 1 1 8   10  19 o 161.4681 3.619423  5497.010       230.5520 5467.645       
401.3126 5511.477       281.6734 161.0618 5.934873 161.8745 4.144657 
-0.8126984     7.238846 
1 1 1 8   10  20 o 79.89972 3.323674  1246.912       99.09131 1559.915       
199.8263 1144.845       114.1096 86.01971 5.533192 73.77972 3.683887 12.23999 
6.647348 
1 1 1 8   10  21 o 118.8000 3.157573  2927.654       146.3703 3094.491       
263.9760 2853.588       175.8847 121.1360 5.190536 116.4640 3.597139 4.672005 
6.315146 
1 1 1 8   10  22 o 160.5770 4.238988  5434.082       265.6870 5504.008       
473.8193 5402.012       320.8798 161.1120 7.004967 160.0420 4.775616 1.069962 
8.477976 
1 1 1 8   10  23 o 65.77412 3.113341  926.9758       81.81908 863.4308       
136.2931 962.7790       102.3043 63.93240 5.077781 67.61585 3.603848 -3.683456 
6.226682 
1 1 1 8   10  24 o 124.5567 3.412220  3259.103       157.8268 3316.869       
306.6043 3238.278       184.0898 125.1215 5.836700 123.9919 3.536369 1.129570 
6.824440 
1 1 1 8   10  25 o 98.75977 3.304050  2117.851       121.7424 1930.181       
228.0667 2192.636       143.9700 95.47334 5.689851 102.0462 3.360442 -6.572853 
6.608099 
1 1 1 8   10  26 o 31.41148 4.897602  64.83594       73.83186 516.3542       
155.3541 -66.89841      83.91401 49.21624 7.518569 13.60672 6.278307 35.60952 
9.795204 
1 1 1 8   10  27 o 157.9207 2.866122  5060.210       149.1547 5592.025       
349.9597 4942.163       164.8798 162.5578 5.127801 153.2835 2.562084 9.274368 
5.732244 
1 1 1 8   10  28 o 75.29196 3.615605  1259.566       97.85609 1088.722       
190.9728 1320.394       113.9529 71.45513 6.365890 79.12879 3.430139 -7.673660 
7.231211 
1 1 1 8   10  29 o 162.1723 3.726482  5432.403       222.8666 5945.429       
444.7669 5260.402       257.5309 166.6330 6.357589 157.7115 3.889440 8.921539 
7.452965 
1 1 1 8   10  30 o 74.61730 3.738746  1185.842       102.4923 1193.666       
201.5090 1183.111       119.0403 74.48356 6.443994 74.75105 3.793131 
-0.2674866     7.477493 
1 1 1 8   10  31 o 114.1297 3.421039  2827.447       146.1568 2677.325       
274.6449 2886.759       172.6316 111.5251 5.865704 116.7343 3.522436 -5.209183 
6.842078 
1 1 1 8   10  32 o 30.89888 7.645710  173.1870       106.9782 312.0326       
224.6408 132.4634       121.6592 36.35659 12.33278 25.44116 9.040463 10.91542 
15.29142 
1 1 1 8   10  33 o 30.53810 7.241045  222.1965       107.4531 139.6355       
206.8036 252.7287       125.7621 28.46272 11.40314 32.61349 8.927453 -4.150776 
14.48209 
1 1 1 8   10  34 o 46.79156 6.307219  508.0884       111.2093 551.9167       
204.9055 489.7877       132.4071 46.81403 10.66076 46.76908 6.743315 
0.4494858E-01  12.61444 
1 1 1 8   10  35 o 37.86875 7.163996  300.0088       110.5561 590.4916       
212.0272 191.5408       129.5634 47.63064 10.84287 28.10686 9.366083 19.52378 
14.32799 
1 1 1 8   10  36 o 29.00734 7.426777  165.0924       108.3596 358.4533       
207.2489 92.34707       127.1191 35.56493 11.84576 22.44975 8.961360 13.11518 
14.85355 
1 1 1 8   10  37 o 42.44165 7.868194  444.9206       134.9376 0.000000       
0.000000 444.9206       134.9376 ?        ?        42.44165 7.868194 ? ? 
1 1 1 8   10  38 o 27.42241 6.474857  214.7088       100.0177 38.89412       
182.1416 290.6093       119.6752 21.75872 9.721832 33.08610 8.554594 -11.32738 
12.94971 
1 1 1 8   10  39 o 25.61406 5.862215  192.3919       96.68807 -125.6673      
187.2631 308.0035       112.9013 17.60653 8.490399 33.62159 8.085504 -16.01506 
11.72443 
1 1 1 8   11  0  o 236.3531 2.309503  11732.11       228.9820 11770.97       
330.8650 11696.38       317.2244 236.7260 3.329093 235.9803 3.201931 0.7456970 
4.619007 
1 1 1 8   11  1  o 178.9354 2.258117  6644.533       166.7684 7149.321       
265.0020 6313.536       214.5885 184.4875 3.421396 173.3833 2.947951 11.10423 
4.516234 
1 1 1 8   11  2  o 399.3093 3.862146  33317.73       619.7413 32819.99       
769.0996 34239.32       1046.531 395.1744 4.635695 403.4443 6.178593 -8.269897 
7.724291 
1 1 1 8   11  3  o 504.3377 6.359266  53654.53       1305.811 53733.17       
1656.674 53525.52       2121.878 505.0976 7.812369 503.5778 10.03633 1.519806 
12.71853 
1 1 1 8   11  4  o 235.7220 3.605566  11565.39       336.4164 11342.48       
410.1553 12023.67       588.0867 232.3385 4.204828 239.1056 5.858314 -6.767090 
7.211132 
1 1 1 8   11  5  o 248.7685 2.998112  12981.49       293.8945 12939.78       
358.1049 13067.54       514.3696 248.1990 3.436618 249.3380 4.913692 -1.138931 
5.996224 
1 1 1 8   11  6  o 104.9978 2.498893  2315.544       110.1468 2295.424       
154.5826 2336.295       156.9875 104.5348 3.522256 105.4608 3.545644 
-0.9260788     4.997787 
1 1 1 8   11  7  o 230.4986 3.468370  11222.65       328.1219 10898.52       
518.1718 11439.62       423.9499 227.6730 5.421047 233.3241 4.327887 -5.651077 
6.936740 
1 1 1 8   11  8  o 215.5181 3.083248  9782.196       265.5014 9689.257       
449.9248 9831.852       328.8640 214.6961 4.991567 216.3401 3.620766 -1.644028 
6.166497 
1 1 1 8   11  9  o 173.2305 2.999283  6188.995       184.4058 6524.865       
386.9825 6090.322       209.7517 176.1699 5.232156 170.2911 2.933827 5.878784 
5.998567 
1 1 1 8   11  10 o 308.0108 4.626746  19864.31       426.5392 20104.52       
1106.143 19822.35       462.2919 308.8396 8.530985 307.1821 3.584606 1.657532 
9.253491 
1 1 1 8   11  11 o 327.3432 3.108118  22489.09       414.9669 22642.04       
672.9691 22395.26       527.1028 328.1973 4.884062 326.4891 3.845455 1.708252 
6.216236 
1 1 1 8   11  12 o 247.2265 4.394161  12791.73       425.5922 13048.97       
755.5619 12672.18       515.0784 248.9374 7.229378 245.5156 4.997069 3.421814 
8.788321 
1 1 1 8   11  13 o 73.77467 3.712018  1050.271       100.4550 1342.180       
209.0380 962.6159       114.5489 79.86565 6.234279 67.68370 4.031138 12.18195 
7.424036 
1 1 1 8   11  14 o 115.9518 4.293735  2820.330       203.1149 2865.842       
329.8768 2792.539       257.7740 116.6711 6.734564 115.2326 5.328252 1.438522 
8.587469 
1 1 1 8   11  15 o 335.1898 8.050410  23239.37       854.6701 24662.53       
2087.455 22952.75       936.7883 340.2368 14.61359 330.1427 6.758664 10.09415 
16.10082 
1 1 1 8   11  16 o 271.6357 7.155803  15670.24       748.0787 15462.80       
1359.203 15760.38       895.9950 269.9093 11.99465 273.3620 7.807076 -3.452728 
14.31161 
1 1 1 8   11  17 o 395.5002 7.604256  33152.41       1166.901 33203.88       
2097.208 33129.34       1404.365 394.9653 12.64747 396.0352 8.446317 -1.069977 
15.20851 
1 1 1 8   11  18 o 251.9146 6.429176  13129.67       566.0212 13985.37       
1215.378 12892.68       639.6196 256.4750 11.28723 247.3543 6.159187 9.120773 
12.85835 
1 1 1 8   11  19 o 251.9272 5.250137  13322.99       531.0347 13706.74       
898.4116 13116.92       658.3523 254.4661 8.409430 249.3884 6.287865 5.077698 
10.50027 
1 1 1 8   11  20 o 57.74269 3.871247  707.9369       87.58382 688.7082       
153.5628 717.2076       106.6268 57.11219 6.404397 58.37320 4.350850 -1.261017 
7.742493 
1 1 1 8   11  21 o 152.9904 3.149249  4884.363       191.7963 5073.549       
331.2928 4788.989       235.2246 155.1185 5.087092 150.8624 3.713836 4.256058 
6.298499 
1 1 1 8   11  22 o 172.6192 3.500309  6323.502       236.7885 6183.441       
415.5211 6390.860       288.1542 171.0353 5.786666 174.2032 3.939942 -3.167969 
7.000618 
1 1 1 8   11  23 o 92.31612 3.373906  1825.475       113.2466 1745.572       
223.6609 1853.023       131.3249 90.80615 5.866726 93.82608 3.333838 -3.019928 
6.747811 
1 1 1 8   11  24 o 130.1480 3.581645  3587.053       170.8583 3567.051       
336.6654 3593.992       198.2919 129.6815 6.183599 130.6145 3.616052 
-0.9329376     7.163291 
1 1 1 8   11  25 o 67.56346 3.542115  961.5531       88.12644 971.4067       
173.1130 958.1062       102.3862 67.68725 6.091776 67.43968 3.616154 0.2475662 
7.084229 
1 1 1 8   11  26 o 87.07598 3.128843  1631.024       99.63363 1536.803       
194.3185 1664.628       116.0490 85.21941 5.431210 88.93255 3.108149 -3.713135 
6.257686 
1 1 1 8   11  27 o 58.68089 3.742900  606.8533       76.46440 965.8096       
178.4539 526.1292       84.62664 67.42223 6.304402 49.93956 4.036301 17.48267 
7.485800 
1 1 1 8   11  28 o 42.53352 4.829728  401.0314       71.68076 377.2211       
142.6644 409.0723       82.90530 41.09240 8.552188 43.97464 4.490566 -2.882240 
9.659456 
1 1 1 8   11  29 o 89.70764 3.128373  1624.882       97.71922 1852.368       
214.2068 1565.099       109.8114 93.26131 5.470825 86.15397 3.035942 7.107346 
6.256745 
1 1 1 8   11  30 o 45.41304 5.427183  502.5667       76.47133 382.3710       
171.2764 532.4925       85.46249 40.70403 10.06593 50.12205 4.061326 -9.418018 
10.85437 
1 1 1 8   11  31 o 119.7652 3.483467  2982.376       140.2139 3202.660       
317.5221 2929.016       156.2762 121.8318 6.207752 117.6985 3.162591 4.133278 
6.966933 
1 1 1 8   11  32 o 104.7781 4.754386  2507.931       185.4915 2144.638       
339.6154 2662.381       221.4383 98.07253 8.248235 111.4836 4.731106 -13.41109 
9.508772 
1 1 1 8   11  33 o 23.45194 6.892774  62.78448       103.9211 47.98675       
195.3586 68.62431       122.7257 24.93363 10.61822 21.97026 8.791745 2.963364 
13.78555 
1 1 1 8   11  34 o 64.65389 5.255464  998.9747       125.3987 816.6247       
227.5368 1078.519       150.2807 58.91606 9.198966 70.39173 5.085136 -11.47567 
10.51093 
1 1 1 8   11  35 o 45.75281 6.836111  488.6855       116.2229 589.5673       
227.8985 453.2266       135.1134 47.00988 11.60248 44.49574 7.232708 2.514149 
13.67222 
1 1 1 8   11  36 o 74.29393 4.867621  1175.202       133.5733 1492.061       
271.9352 1074.442       153.3476 78.99855 8.199121 69.58930 5.248747 9.409248 
9.735242 
1 1 1 8   11  37 o 48.06299 6.739233  621.9632       117.8864 540.3830       
223.3437 653.4689       138.7955 42.78279 11.96912 53.34318 6.197516 -10.56039 
13.47847 
1 1 1 8   11  38 o 68.44487 4.466271  985.1484       113.0332 1363.214       
233.2782 869.1519       129.2151 74.74429 7.433908 62.14546 4.952507 12.59883 
8.932542 
1 1 1 8   11  39 o 27.84325 5.862336  240.4820       98.97079 -83.16290      
188.8570 363.0161       116.2057 18.53029 8.835177 37.15622 7.707630 -18.62593 
11.72467 
1 1 1 8   12  0  o 69.37576 2.139354  1010.797       62.30645 1004.940       
87.45390 1016.834       88.79055 69.17185 3.011417 69.57967 3.039524 
-0.4078140     4.278707 
1 1 1 8   12  1  o 295.2262 3.130414  18249.81       370.2742 18094.95       
458.5462 18540.02       627.7185 293.4816 3.721545 296.9707 5.034686 -3.489075 
6.260828 
1 1 1 8   12  2  f 177.4953 2.639724  6617.720       195.4818 6610.729       
262.1529 6626.477       293.3815 177.3975 3.519882 177.5931 3.934845 
-0.1956024     5.279449 
1 1 1 8   12  3  o 190.6709 2.779134  7586.157       213.4853 7821.747       
358.7467 7456.985       265.6408 192.9250 4.429152 188.4169 3.358120 4.508102 
5.558269 
1 1 1 8   12  4  o 89.24519 2.247908  1666.915       83.80235 1729.858       
125.9026 1616.847       112.2908 90.75040 3.304512 87.73997 3.048370 3.010437 
4.495816 
1 1 1 8   12  5  o 222.4220 3.274119  10328.01       257.9800 10268.79       
293.9182 10526.73       538.3997 221.1129 3.166164 223.7310 5.731914 -2.618088 
6.548239 
1 1 1 8   12  6  o 136.0492 2.781398  3909.983       155.7316 4001.192       
202.5031 3777.962       243.6316 138.0139 3.494862 134.0844 4.327891 3.929459 
5.562796 
1 1 1 8   12  7  o 353.1517 4.290134  26232.29       635.8839 26297.82       
911.1559 26170.06       887.8482 353.5732 6.138107 352.7303 5.995384 0.8428650 
8.580268 
1 1 1 8   12  8  o 102.4053 2.155115  2106.686       80.71861 2398.836       
164.9079 2014.637       92.56548 106.8589 3.675799 97.95173 2.250909 8.907219 
4.310231 
1 1 1 8   12  9  o 245.8260 2.948383  12559.61       295.1274 13255.06       
485.8572 12152.96       371.5247 251.1331 4.608140 240.5190 3.679251 10.61418 
5.896765 
1 1 1 8   12  10 o 254.0017 3.664083  13670.56       378.6270 13121.82       
610.3216 14013.88       482.7535 249.7740 5.820128 258.2294 4.452878 -8.455383 
7.328166 
1 1 1 8   12  11 o 308.2389 4.888355  19615.26       430.2592 20532.72       
1190.098 19477.31       461.4734 311.9883 9.085849 304.4895 3.609903 7.498840 
9.776710 
1 1 1 8   12  12 o 202.6224 3.545870  8713.192       290.1682 8325.250       
475.5005 8943.376       366.2730 198.9498 5.692834 206.2949 4.228997 -7.345108 
7.091740 
1 1 1 8   12  13 o 497.4493 14.33217  53390.89       2970.752 52513.70       
4460.182 54090.35       3982.789 492.9447 21.55140 501.9540 18.89925 -9.009247 
28.66434 
1 1 1 8   12  14 o 193.1619 4.253235  7745.198       301.4644 8070.625       
600.3793 7635.487       348.5959 195.7266 7.306291 190.5972 4.356390 5.129379 
8.506470 
1 1 1 8   12  15 o 245.2059 5.470687  12628.18       477.4078 12767.92       
987.1736 12585.52       545.4325 245.8067 9.565790 244.6051 5.311247 1.201569 
10.94137 
1 1 1 8   12  16 o 152.6202 4.178643  4716.339       222.1461 5242.190       
484.5094 4576.371       249.9686 157.6865 7.318612 147.5539 4.035114 10.13258 
8.357285 
1 1 1 8   12  17 o 221.5431 5.109019  10257.74       437.5421 10593.47       
798.1312 10113.50       523.1617 223.9119 8.490205 219.1742 5.685485 4.737671 
10.21804 
1 1 1 8   12  18 o 101.8910 2.860451  2175.433       116.0471 2207.062       
199.2723 2159.202       142.7508 102.4222 4.634192 101.3598 3.354547 1.062332 
5.720902 
1 1 1 8   12  19 o 117.6291 3.459396  2986.472       163.4055 2640.776       
265.0137 3198.519       207.5565 111.9419 5.638931 123.3163 4.009007 -11.37444 
6.918792 
1 1 1 8   12  20 o 189.3451 4.804742  7526.374       328.7588 7677.039       
665.9655 7477.825       378.0329 190.2668 8.337001 188.4234 4.778767 1.843399 
9.609485 
1 1 1 8   12  21 o 153.9805 3.878360  5111.626       242.7645 4516.713       
381.9608 5514.812       314.4456 146.1840 6.223575 161.7770 4.629666 -15.59299 
7.756720 
1 1 1 8   12  22 o 54.01126 3.819644  648.1585       72.05048 558.0975       
146.5540 676.8647       82.74023 51.31100 6.803121 56.71152 3.475094 -5.400520 
7.639288 
1 1 1 8   12  23 o 250.5703 4.112399  13247.64       345.0754 13361.91       
774.7488 13219.36       385.4169 250.6123 7.363421 250.5284 3.664332 
0.8384705E-01  8.224798 
1 1 1 8   12  24 o 89.35497 2.669400  1671.785       90.55123 1707.903       
169.9751 1657.472       106.9986 89.95144 4.500889 88.75848 2.871372 1.192955 
5.338800 
1 1 1 8   12  25 o 92.21803 2.802750  1764.751       94.90141 1850.760       
189.0498 1735.776       109.7288 93.60447 4.810616 90.83159 2.877430 2.772881 
5.605499 
1 1 1 8   12  26 f 104.5390 2.797569  2176.220       103.9831 2547.835       
222.7672 2072.695       117.5782 109.8189 4.831646 99.25910 2.821483 10.55982 
5.595139 
1 1 1 8   12  27 o 197.0803 4.183815  8022.415       257.8815 8572.982       
640.6982 7915.975       281.7086 200.3240 7.618011 193.8366 3.461667 6.487350 
8.367630 
1 1 1 8   12  28 o 52.28694 4.543810  589.2531       85.67448 570.3106       
171.4763 595.5548       98.90388 51.50879 7.929467 53.06510 4.439412 -1.556316 
9.087620 
1 1 1 8   12  29 o 189.5801 4.935260  7746.516       330.3154 7672.655       
684.5978 7768.927       377.1161 187.7966 8.682981 191.3636 4.693932 -3.567001 
9.870520 
1 1 1 8   12  30 o 80.38514 3.692371  1340.877       99.50227 1441.109       
226.2076 1316.831       110.7968 81.82503 6.584792 78.94525 3.342892 2.879776 
7.384742 
1 1 1 8   12  31 o 77.17018 3.723688  1344.143       106.3115 1120.382       
196.0204 1437.388       126.5382 71.98400 6.486140 82.35636 3.659701 -10.37236 
7.447377 
1 1 1 8   12  32 o 105.4173 3.897871  2414.328       165.4464 2329.558       
273.0364 2463.514       207.9772 103.5257 6.281931 107.3089 4.616375 -3.783119 
7.795742 
1 1 1 8   12  33 o 53.21003 5.313361  586.0087       109.7188 760.0795       
207.0269 518.0214       129.3832 57.83889 8.525657 48.58117 6.343531 9.257725 
10.62672 
1 1 1 8   12  34 o 61.46049 5.206134  836.3655       121.9811 894.0129       
227.7537 813.1781       144.4449 62.02588 8.746082 60.89510 5.649901 1.130779 
10.41227 
1 1 1 8   12  35 o 24.68856 7.151068  90.53341       107.9602 140.8259       
205.2175 71.28844       126.9467 27.53576 11.22905 21.84135 8.857738 5.694408 
14.30214 
1 1 1 8   12  36 o 61.83574 5.370528  837.0388       123.2252 1033.742       
247.1661 771.9756       142.1513 64.97632 9.060556 58.69517 5.768589 6.281151 
10.74106 
1 1 1 8   12  37 o 37.45939 7.469113  376.9754       114.7064 414.1599       
218.1090 362.7585       134.8633 37.18798 12.15217 37.73080 8.687661 
-0.5428200     14.93823 
1 1 1 8   12  38 o 60.46134 4.962202  799.6511       118.9930 1132.532       
216.2267 655.0455       142.5140 68.09283 7.563609 52.82986 6.425387 15.26297 
9.924403 
1 1 1 8   12  39 o 31.76739 6.515897  325.2620       100.4277 170.8056       
193.3519 382.3261       117.5241 25.09756 10.62057 38.43723 7.551890 -13.33967 
13.03179 
1 1 1 8   13  0  o 247.0440 4.632502  12798.22       473.4909 12573.49       
616.5971 13121.20       739.1849 244.4633 6.007708 249.6247 7.053206 -5.161362 
9.265003 
1 1 1 8   13  1  o 217.9111 2.523682  9974.993       230.8308 10271.35       
328.0655 9684.420       324.8465 221.1180 3.533926 214.7042 3.603784 6.413803 
5.047364 
1 1 1 8   13  2  o 293.2662 3.181294  18016.83       349.4070 17945.83       
409.7118 18206.18       669.0820 292.2895 3.338768 294.2430 5.416195 -1.953430 
6.362589 
1 1 1 8   13  3  o 187.7501 2.207725  7396.014       173.8262 7248.903       
239.2747 7560.419       252.9495 185.7771 3.067791 189.7231 3.175665 -3.946060 
4.415449 
1 1 1 8   13  4  o 291.1502 3.271922  17833.04       399.1487 18103.97       
549.8491 17531.23       580.3479 293.5027 4.462236 288.7977 4.786475 4.705017 
6.543844 
1 1 1 8   13  5  o 422.1024 5.690376  37569.77       1000.557 37778.90       
1336.380 37303.00       1509.359 423.5404 7.515472 420.6644 8.546297 2.875946 
11.38075 
1 1 1 8   13  6  o 317.7155 3.613115  21305.45       434.0028 21028.10       
813.5289 21415.79       513.1199 316.1599 6.128967 319.2711 3.828074 -3.111206 
7.226230 
1 1 1 8   13  7  o 228.1295 2.147400  10951.56       199.5947 10843.05       
323.2273 11018.44       253.7544 227.1995 3.388612 229.0595 2.638678 -1.860016 
4.294800 
1 1 1 8   13  8  o 376.2132 4.997311  29343.14       636.2203 30569.66       
1421.713 29036.02       711.4310 380.7357 8.894254 371.6907 4.559027 9.045013 
9.994622 
1 1 1 8   13  9  o 229.3352 3.604599  10855.91       263.6948 11369.67       
637.4745 10749.85       289.6365 232.4365 6.532502 226.2339 3.049416 6.202576 
7.209197 
1 1 1 8   13  10 o 347.9877 4.846680  24981.40       447.6345 26157.92       
1348.085 24835.60       474.5605 352.1232 9.118926 343.8523 3.287311 8.270966 
9.693360 
1 1 1 8   13  11 o 107.4535 2.185067  2334.508       86.48845 2614.847       
174.1413 2242.715       99.64715 111.5614 3.717997 103.3456 2.296645 8.215767 
4.370135 
1 1 1 8   13  12 o 134.1732 3.373167  3748.841       163.9760 3855.162       
331.8812 3714.505       188.6046 135.3717 5.839502 132.9747 3.378349 2.397018 
6.746335 
1 1 1 8   13  13 o 77.43106 4.609362  1260.351       149.8425 0.000000       
0.000000 1260.351       149.8425 ?        ?        77.43106 4.609362 ? ? 
1 1 1 8   13  14 o 115.4612 3.474047  2792.994       148.3086 2824.927       
289.8501 2781.669       172.6164 115.8603 5.958814 115.0621 3.573312 0.7982178 
6.948094 
1 1 1 8   13  15 o 153.5141 2.959659  4943.295       177.2169 4981.881       
316.3048 4925.642       213.9504 153.9118 4.895025 153.1164 3.328223 0.7953796 
5.919319 
1 1 1 8   13  16 o 365.5323 7.046013  28401.06       1026.384 27910.75       
1743.980 28660.88       1269.530 362.6155 11.45555 368.4490 8.207039 -5.833496 
14.09203 
1 1 1 8   13  17 f 104.0035 3.202805  2207.780       128.8459 2447.455       
238.6308 2109.154       153.0774 107.8334 5.271016 100.1736 3.639813 7.659836 
6.405611 
1 1 1 8   13  18 o 197.0952 4.780017  8294.066       370.0809 7911.964       
642.2597 8483.996       452.8109 193.4736 7.906969 200.7167 5.373464 -7.243134 
9.560035 
1 1 1 8   13  19 o 36.63774 5.266023  241.3507       70.65598 432.3994       
144.7750 181.6192       80.95125 44.52129 8.039774 28.75420 6.803382 15.76709 
10.53205 
1 1 1 8   13  20 f 173.7384 4.289232  6344.645       271.9826 6428.332       
542.0598 6316.487       314.4277 174.2602 7.409180 173.2166 4.323668 1.043533 
8.578465 
1 1 1 8   13  21 o 202.6869 4.864649  8237.778       329.1184 9477.368       
765.7745 7956.930       364.5000 211.0376 8.642953 194.3361 4.467505 16.70143 
9.729298 
1 1 1 8   13  22 f 87.51383 3.122823  1462.970       94.27656 1889.628       
215.1694 1361.602       104.8797 94.57446 5.419106 80.45320 3.105055 14.12126 
6.245645 
1 1 1 8   13  23 o 23.08012 5.684422  106.9753       65.44041 11.16805       
139.9180 133.8011       74.03731 21.42625 9.049193 24.73400 6.882059 -3.307756 
11.36884 
1 1 1 8   13  24 o 100.3159 3.134427  2169.173       114.3890 2032.269       
224.5168 2217.169       132.9367 97.99380 5.457217 102.6381 3.085016 -4.644295 
6.268855 
1 1 1 8   13  25 o 85.39871 3.109939  1450.273       94.22867 1707.643       
202.7110 1379.332       106.4258 89.84384 5.374154 80.95358 3.131351 8.890259 
6.219878 
1 1 1 8   13  26 o 83.92381 2.910887  1473.257       93.26783 1514.598       
173.6611 1456.498       110.5673 84.66496 4.885623 83.18267 3.166029 1.482285 
5.821774 
1 1 1 8   13  27 o 176.2730 3.706350  6518.180       230.6905 6688.543       
483.7917 6468.044       262.4493 177.3542 6.497375 175.1918 3.568229 2.162430 
7.412701 
1 1 1 8   13  28 o 56.29986 4.208465  630.7938       87.19164 767.1369       
178.5891 588.1235       99.90816 59.87461 7.104496 52.72511 4.513408 7.149498 
8.416929 
1 1 1 8   13  29 o 49.15323 5.788393  698.7034       92.85847 254.6437       
174.1070 875.2315       109.7748 33.99210 10.83945 64.31435 4.065516 -30.32225 
11.57679 
1 1 1 8   13  30 o 58.59545 4.016317  613.7191       87.26759 1019.952       
184.4263 496.5215       99.05923 68.89189 6.376404 48.29901 4.885149 20.59288 
8.032634 
1 1 1 8   13  31 o 46.58370 4.752145  541.3046       74.51251 351.8616       
138.8707 617.8947       88.29942 39.20357 8.668433 53.96384 3.897410 -14.76027 
9.504291 
1 1 1 8   13  32 o 63.76974 5.087245  894.4946       119.4622 888.7476       
232.0619 896.5668       139.3440 62.94142 8.781898 64.59805 5.137952 -1.656635 
10.17449 
1 1 1 8   13  33 o 25.27927 7.152017  101.2984       108.0150 72.16954       
203.8685 112.6666       127.3603 26.15089 10.97793 24.40765 9.170083 1.743238 
14.30403 
1 1 1 8   13  34 o 41.32574 6.845617  437.2178       112.1404 338.7086       
207.1275 478.0667       133.3797 36.41401 11.84229 46.23746 6.870952 -9.823456 
13.69123 
1 1 1 8   13  35 o 77.67442 3.901519  1226.052       112.0598 1564.804       
229.0605 1119.470       128.4848 83.40344 6.541649 71.94541 4.253729 11.45803 
7.803037 
1 1 1 8   13  36 o 76.29301 5.152295  1271.707       142.6434 1521.594       
293.8768 1194.689       163.1514 79.17477 8.840962 73.41125 5.293578 5.763519 
10.30459 
1 1 1 8   13  37 o 27.69649 7.443397  190.0208       113.5455 164.7601       
221.3596 199.0404       132.2725 27.53250 11.49169 27.86049 9.463496 
-0.3279934     14.88679 
1 1 1 8   13  38 o 49.54128 6.728795  674.6978       122.6164 582.4084       
224.0336 714.1660       146.5076 43.75488 11.88804 55.32768 6.307231 -11.57280 
13.45759 
1 1 1 8   13  39 o 38.59600 7.725852  446.8892       121.7884 534.8451       
234.3965 414.3631       142.5392 38.50474 12.59774 38.68726 8.947191 
-0.1825180     15.45170 
1 1 1 8   13  40 o 19.92418 6.225513  43.57209       110.6220 -135.2212      
195.1839 128.1806       134.2689 17.59231 8.518873 22.25606 9.080577 -4.663748 
12.45103 
1 1 1 8   14  0  o 137.1272 3.969809  3951.500       228.5452 0.000000       
0.000000 3951.500       228.5452 ?        ?        137.1272 3.969809 ? ? 
1 1 1 8   14  1  o 100.1988 3.957307  2109.683       166.4719 2109.683       
166.4719 0.000000       0.000000 100.1988 3.957307 ?        ?        ? ? 
1 1 1 8   14  2  o 422.5757 6.830123  37038.91       683.0002 36899.71       
714.2867 38524.21       2333.309 419.0450 4.060065 426.1063 13.04294 -7.061249 
13.66025 
1 1 1 8   14  3  o 244.3919 2.749531  11830.99       173.0725 13483.36       
550.8007 11649.97       182.3063 253.2288 5.180867 235.5549 1.843446 17.67390 
5.499061 
1 1 1 8   14  4  o 96.55641 2.078487  1879.965       73.56993 2119.211       
149.4505 1803.446       84.52013 100.4374 3.544236 92.67538 2.172285 7.762062 
4.156974 
1 1 1 8   14  5  o 192.2816 2.516151  7594.439       190.9096 8267.185       
339.2628 7282.701       230.9441 198.3516 4.074005 186.2116 2.954072 12.13998 
5.032302 
1 1 1 8   14  6  o 332.6347 2.573349  23212.64       357.5304 22933.59       
480.5002 23558.78       535.1522 330.4106 3.463862 334.8588 3.806595 -4.448181 
5.146698 
1 1 1 8   14  7  o 382.9415 4.228413  30699.49       672.9819 31880.32       
1035.725 29836.65       885.3489 389.2325 6.338063 376.6506 5.598825 12.58188 
8.456825 
1 1 1 8   14  8  o 459.7363 6.615964  43459.80       832.4880 46138.10       
2426.069 43102.34       886.3013 466.6396 12.38348 452.8329 4.661916 13.80670 
13.23193 
1 1 1 8   14  9  o 392.9025 3.722659  31229.80       479.7628 34459.37       
1132.941 30524.12       529.5912 404.6071 6.669524 381.1978 3.309112 23.40939 
7.445319 
1 1 1 8   14  10 o 60.48307 2.664355  730.1565       62.71405 870.8527       
116.5136 672.7675       74.41314 64.37164 4.311250 56.59451 3.131817 7.777126 
5.328711 
1 1 1 8   14  11 o 153.2989 2.458242  4890.042       151.6534 5099.972       
256.1625 4776.761       188.1736 155.7919 3.916444 150.8060 2.972084 4.985870 
4.916484 
1 1 1 8   14  12 o 315.7982 5.248724  20704.00       585.3997 21585.10       
1233.229 20447.72       665.1107 319.7629 9.186217 311.8335 5.080334 7.929413 
10.49745 
1 1 1 8   14  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   14  14 o 64.59827 3.318179  830.3572       83.86537 1007.158       
154.6500 756.7033       99.81710 69.19250 5.323680 60.00404 3.962284 9.188461 
6.636359 
1 1 1 8   14  15 o 264.8356 5.635155  14615.68       563.3166 15223.89       
1072.294 14383.85       662.0293 268.2982 9.519564 261.3730 6.033059 6.925232 
11.27031 
1 1 1 8   14  16 o 40.98029 4.780738  329.3886       77.64470 430.1628       
140.7606 285.3157       93.08763 45.15449 7.425081 36.80608 6.024117 8.348404 
9.561476 
1 1 1 8   14  17 o 180.1411 3.453106  6796.250       242.4674 6916.347       
434.2693 6741.855       292.2646 181.2108 5.708159 179.0715 3.887504 2.139313 
6.906213 
1 1 1 8   14  18 o 220.2180 3.541379  10210.27       299.5933 10210.68       
548.3216 10210.09       357.7081 220.0895 5.934130 220.3466 3.866726 
-0.2570953     7.082759 
1 1 1 8   14  19 o 55.89857 3.184397  527.9728       66.01112 984.7104       
139.6906 396.6570       74.90178 68.37849 4.865962 43.41865 4.109007 24.95984 
6.368793 
1 1 1 8   14  20 o 42.62345 4.318475  365.0922       69.09697 425.5709       
136.0582 344.0731       80.21043 44.83496 7.228179 40.41195 4.727615 4.423008 
8.636950 
1 1 1 8   14  21 o 114.1605 3.365391  2828.630       133.7756 2602.528       
278.4256 2896.492       152.5359 110.9636 5.976538 117.3573 3.095872 -6.393692 
6.730783 
1 1 1 8   14  22 o 174.5387 4.040161  6530.921       264.0447 6243.870       
498.1066 6643.109       311.3965 171.5353 6.916555 177.5421 4.177664 -6.006760 
8.080322 
1 1 1 8   14  23 o 119.2711 2.705706  2956.519       119.7449 3085.500       
234.4301 2910.987       139.2861 120.9040 4.618423 117.6382 2.820204 3.265823 
5.411412 
1 1 1 8   14  24 o 174.1544 3.648040  6356.441       227.0219 6522.670       
468.1402 6305.328       259.5886 175.3004 6.360833 173.0084 3.573876 2.292038 
7.296080 
1 1 1 8   14  25 o 51.32208 4.510393  581.7819       80.93687 517.2321       
165.6473 602.0254       92.76406 49.21420 8.017055 53.42995 4.135386 -4.215752 
9.020786 
1 1 1 8   14  26 o 78.93899 3.415330  1256.591       95.41467 1429.671       
204.4216 1208.380       107.8879 82.12743 5.928701 75.75055 3.392408 6.376877 
6.830661 
1 1 1 8   14  27 o 185.1467 3.043252  7013.119       174.1290 7574.189       
440.7638 6909.355       189.5478 189.0448 5.553440 181.2485 2.490952 7.796341 
6.086505 
1 1 1 8   14  28 o 152.5626 4.011596  4936.881       223.1253 4968.159       
444.1181 4926.321       258.0572 152.4151 6.940515 152.7101 4.025031 
-0.2950897     8.023192 
1 1 1 8   14  29 o 136.0960 3.805517  3951.968       186.2442 3925.443       
376.9388 3960.535       214.2198 135.2988 6.635873 136.8933 3.727334 -1.594528 
7.611033 
1 1 1 8   14  30 o 80.73775 3.054097  1333.460       93.86136 1502.563       
179.2195 1269.547       110.1803 83.96850 5.083817 77.50700 3.385979 6.461502 
6.108195 
1 1 1 8   14  31 o 47.16038 5.396219  528.1736       88.76086 422.8958       
169.2189 568.1335       104.2540 42.72174 9.660040 51.59902 4.812518 -8.877281 
10.79244 
1 1 1 8   14  32 o 29.94601 7.338195  194.5605       106.7830 172.0067       
200.8853 203.4432       126.0692 30.05478 11.45469 29.83724 9.175320 0.2175388 
14.67639 
1 1 1 8   14  33 o 35.96304 6.479642  280.2640       92.76982 399.7230       
168.4717 228.2785       111.1371 40.70438 9.932417 31.22171 8.324069 9.482668 
12.95928 
1 1 1 8   14  34 o 48.61912 6.065535  513.0112       111.9155 666.1581       
209.4163 451.7866       132.4096 52.34626 9.889711 44.89198 7.025415 7.454281 
12.13107 
1 1 1 8   14  35 o 24.46593 7.132131  58.96354       108.5505 196.2518       
205.9541 6.156082       127.7325 29.63859 11.52361 19.29326 8.406875 10.34532 
14.26426 
1 1 1 8   14  36 o 34.27626 6.952484  290.7406       98.86025 344.5494       
181.4161 268.0125       117.9045 35.70218 11.01228 32.85033 8.489868 2.851845 
13.90497 
1 1 1 8   14  37 o 24.66067 7.241855  95.52045       111.2685 191.3072       
214.9878 60.47500       130.0399 28.32370 11.51235 20.99764 8.788838 7.326067 
14.48371 
1 1 1 8   14  38 o 21.38874 6.604663  45.15670       113.3929 -114.0953      
218.8429 103.6038       132.5780 20.21334 9.581733 22.56415 9.092671 -2.350815 
13.20933 
1 1 1 8   14  39 f 37.03324 7.445632  437.6627       120.4032 379.6039       
230.4873 459.4522       141.2007 32.50957 12.30483 41.55691 8.386946 -9.047337 
14.89126 
1 1 1 8   14  40 o 14.96268 5.224864  -202.5734      111.9165 -324.2245      
206.5866 -152.0401      133.1474 15.69795 7.821193 14.22740 6.930061 1.470554 
10.44973 
1 1 1 8   15  0  o 207.0154 3.066036  8880.301       230.9882 9268.195       
466.0702 8754.000       265.9481 209.8959 5.288937 204.1349 3.103135 5.761032 
6.132071 
1 1 1 8   15  1  o 273.5743 4.250221  15337.44       385.4381 16434.65       
891.3484 15085.09       427.4706 279.2186 7.603687 267.9301 3.800194 11.28848 
8.500443 
1 1 1 8   15  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   15  3  o 358.0121 5.654260  27194.74       794.5312 26527.80       
1389.425 27518.81       968.5107 354.4508 9.336843 361.5733 6.380125 -7.122437 
11.30852 
1 1 1 8   15  4  o 108.9290 1.771549  2497.230       75.29254 2477.107       
133.7886 2506.558       91.08574 108.5988 2.934371 109.2592 1.985699 
-0.6604233     3.543097 
1 1 1 8   15  5  o 247.9256 3.159912  12658.02       236.0184 13298.70       
613.0459 12546.54       255.7302 251.4237 5.807750 244.4275 2.492028 6.996140 
6.319823 
1 1 1 8   15  6  o 252.4153 2.873254  13401.50       303.9114 13162.46       
441.3707 13617.01       419.0860 250.2637 4.200748 254.5668 3.921231 -4.303116 
5.746507 
1 1 1 8   15  7  o 142.6048 2.049187  4288.749       118.7763 4200.360       
192.9718 4342.659       150.7067 141.4072 3.250450 143.8025 2.496245 -2.395340 
4.098374 
1 1 1 8   15  8  o 175.6016 2.217592  6336.311       148.2256 6809.943       
280.4527 6152.726       174.6052 180.0338 3.710451 171.1695 2.429695 8.864243 
4.435185 
1 1 1 8   15  9  o 126.1148 2.215081  3288.855       111.4489 3505.774       
192.7881 3179.979       136.5840 129.1777 3.554788 123.0518 2.643826 6.125870 
4.430162 
1 1 1 8   15  10 o 152.2152 2.523258  4879.698       147.2923 4838.621       
269.8846 4897.124       175.7789 151.7313 4.236665 152.6991 2.741897 
-0.9678650     5.046516 
1 1 1 8   15  11 o 177.6826 2.946051  6549.838       181.6862 6787.734       
391.8439 6484.685       205.0615 179.6523 5.195191 175.7130 2.779721 3.939255 
5.892101 
1 1 1 8   15  12 o 287.5435 6.259169  17260.60       679.1823 17898.61       
1291.892 17016.91       798.4242 290.8276 10.58063 284.2593 6.690215 6.568329 
12.51834 
1 1 1 8   15  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   15  14 o 48.74574 4.977334  572.6805       82.40269 389.1290       
155.0693 644.9065       97.27328 42.10416 9.033085 55.38733 4.183157 -13.28318 
9.954668 
1 1 1 8   15  15 o 203.7945 4.438869  8754.712       330.3415 8738.052       
655.6262 8760.382       382.4338 203.4865 7.674352 204.1025 4.463021 
-0.6160126     8.877738 
1 1 1 8   15  16 o 76.69645 3.239710  1215.761       90.23080 1280.629       
183.0331 1194.935       103.7084 77.98521 5.590343 75.40768 3.275815 2.577530 
6.479421 
1 1 1 8   15  17 o 106.7452 2.655133  2389.508       103.5963 2408.316       
205.8869 2383.132       119.8773 106.9843 4.583842 106.5061 2.680918 0.4782715 
5.310266 
1 1 1 8   15  18 o 234.8454 5.209535  11387.45       382.2451 12069.99       
949.9078 11255.57       417.5430 238.4086 9.490313 231.2822 4.300115 7.126419 
10.41907 
1 1 1 8   15  19 f 67.19168 3.244028  921.3878       81.10967 1014.247       
160.0627 889.3047       94.08375 69.35320 5.497239 65.03016 3.446044 4.323044 
6.488055 
1 1 1 8   15  20 o 42.44099 3.582737  336.4193       56.44953 476.8334       
117.1387 293.9476       64.42360 47.51674 5.871849 37.36523 4.106751 10.15152 
7.165474 
1 1 1 8   15  21 o 140.7013 3.601870  4134.264       168.5422 4249.861       
383.9662 4106.674       187.5794 141.6806 6.455107 139.7219 3.197729 1.958710 
7.203741 
1 1 1 8   15  22 o 183.7024 3.434130  6987.949       221.0472 7372.726       
472.0826 6879.896       250.1660 186.6023 6.025902 180.8026 3.295677 5.799698 
6.868259 
1 1 1 8   15  23 o 52.16306 4.207858  609.4115       77.42189 515.0884       
154.3249 641.1355       89.49962 49.17075 7.475674 55.15537 3.865044 -5.984627 
8.415715 
1 1 1 8   15  24 f 98.12653 3.151549  2014.398       107.5010 2064.408       
230.5186 2000.499       121.5245 98.74976 5.560206 97.50331 2.968695 1.246445 
6.303098 
1 1 1 8   15  25 o 96.42530 2.705575  1822.840       88.29128 2196.193       
203.9316 1736.714       97.94688 101.9735 4.763413 90.87710 2.567185 11.09641 
5.411150 
1 1 1 8   15  26 o 170.4347 4.400023  6022.059       245.0197 6393.747       
575.0123 5939.599       270.8387 173.0065 7.916545 167.8629 3.843058 5.143600 
8.800045 
1 1 1 8   15  27 o 205.0333 3.593165  8850.888       268.6864 8993.441       
536.2159 8803.095       310.4759 205.7137 6.208654 204.3528 3.618831 1.360901 
7.186329 
1 1 1 8   15  28 o 168.1429 3.978357  6157.243       247.4892 5692.559       
471.0227 6334.457       290.8772 163.1306 6.877451 173.1553 4.001243 -10.02473 
7.956713 
1 1 1 8   15  29 o 87.54274 3.456206  1619.175       112.3926 1647.054       
218.0013 1609.082       131.1689 87.81335 5.913158 87.27213 3.579944 0.5412216 
6.912412 
1 1 1 8   15  30 o 123.5152 3.088856  3303.309       140.4721 3102.709       
270.5896 3377.315       164.3539 120.5504 5.346427 126.4800 3.095132 -5.929642 
6.177711 
1 1 1 8   15  31 o 88.69650 4.380418  1667.889       149.7373 1772.598       
275.7121 1624.084       178.3281 90.17913 7.282339 87.21386 4.870297 2.965271 
8.760837 
1 1 1 8   15  32 o 156.2573 4.198047  5216.029       248.6257 5459.459       
468.8856 5120.813       293.2452 157.7425 7.080096 154.7721 4.512939 2.970459 
8.396093 
1 1 1 8   15  33 o 82.23501 4.850612  1376.838       143.4715 1737.536       
305.0068 1274.351       162.5813 87.64788 8.288753 76.82214 5.040866 10.82574 
9.701224 
1 1 1 8   15  34 o 43.11511 6.872742  458.4759       114.7063 418.9179       
211.8943 474.8735       136.4243 40.22628 11.79177 46.00394 7.063467 -5.777664 
13.74548 
1 1 1 8   15  35 o 97.26710 4.682509  2119.624       173.2518 2155.021       
320.5626 2105.018       205.9166 96.41452 7.919386 98.11967 4.998691 -1.705154 
9.365019 
1 1 1 8   15  36 o 48.00471 6.612466  579.1490       112.9209 560.2971       
223.9457 585.5764       130.7610 45.04631 11.72814 50.96312 6.111436 -5.916805 
13.22493 
1 1 1 8   15  37 o 30.67141 7.602542  255.3303       117.6479 217.4117       
223.7003 269.8281       138.3222 29.35636 11.81878 31.98645 9.566136 -2.630093 
15.20508 
1 1 1 8   15  38 o 19.71457 6.369553  -15.49006      113.4813 -147.0700      
218.5072 33.10806       132.7946 19.66191 9.405281 19.76723 8.592177 
-0.1053238     12.73911 
1 1 1 8   15  39 o 34.88724 6.483613  374.9350       103.6103 227.3210       
187.9553 439.3724       124.1823 27.48099 10.91957 42.29349 6.993702 -14.81250 
12.96723 
1 1 1 8   15  40 o 20.47004 6.414022  52.86480       117.8414 -176.7920      
227.4931 137.0857       137.7649 18.24735 8.920832 22.69272 9.218323 -4.445368 
12.82804 
1 1 1 8   16  0  o 308.6024 2.775970  19749.19       267.8350 20426.67       
662.0515 19616.61       292.8713 311.5822 5.061045 305.6225 2.282509 5.959656 
5.551939 
1 1 1 8   16  1  o 71.64479 2.041310  1040.261       54.78716 1162.493       
107.3536 997.2139       63.70815 74.37976 3.437818 68.90981 2.202090 5.469948 
4.082621 
1 1 1 8   16  2  o 43.64170 2.748002  372.0836       46.88263 478.5712       
87.36324 329.0136       55.56058 47.71126 4.361430 39.57215 3.344246 8.139111 
5.496004 
1 1 1 8   16  3  f 100.3347 2.162305  1947.900       75.98414 2424.293       
168.5809 1826.443       85.12090 107.4082 3.738453 93.26112 2.173985 14.14712 
4.324609 
1 1 1 8   16  4  o 130.1219 3.973305  3558.387       217.0606 3558.387       
217.0606 0.000000       0.000000 130.1219 3.973305 ?        ?        ? ? 
1 1 1 8   16  5  o 30.33610 4.600067  218.1230       52.48021 148.1572       
98.97253 245.4895       61.89864 26.49766 8.125896 34.17453 4.314192 -7.676876 
9.200133 
1 1 1 8   16  6  o 422.9149 4.777879  37580.39       729.7469 37835.96       
1475.802 37497.68       839.5693 423.5179 8.299986 422.3120 4.735264 1.205933 
9.555758 
1 1 1 8   16  7  o 208.8771 2.258984  8885.174       168.4765 9700.394       
353.4037 8645.411       191.6569 214.8500 3.917931 202.9041 2.249856 11.94589 
4.517968 
1 1 1 8   16  8  o 217.2876 2.782009  9890.650       188.9767 9968.810       
464.2370 9875.127       206.8944 217.7212 5.078787 216.8540 2.272492 0.8672180 
5.564018 
1 1 1 8   16  9  o 162.8791 2.674571  5521.508       165.6859 5700.346       
310.9657 5450.611       195.7920 164.6686 4.498033 161.0896 2.895000 3.579025 
5.349143 
1 1 1 8   16  10 o 136.4154 2.072505  3891.798       113.7046 3967.999       
191.3239 3850.187       141.3814 137.4312 3.315928 135.3996 2.487115 2.031586 
4.145011 
1 1 1 8   16  11 o 186.6469 3.169409  7199.575       216.8553 7580.170       
433.6559 7072.668       250.4135 189.8124 5.441790 183.4814 3.250774 6.330978 
6.338818 
1 1 1 8   16  12 o 205.4609 4.077476  8854.005       332.6951 8980.832       
574.2969 8789.942       408.1605 206.4772 6.624994 204.4447 4.755282 2.032532 
8.154952 
1 1 1 8   16  13 o 120.4053 4.862125  3049.368       245.7823 0.000000       
0.000000 3049.368       245.7823 ?        ?        120.4053 4.862125 ? ? 
1 1 1 8   16  14 o 210.1024 4.623878  9301.307       330.3625 9304.524       
725.9217 9300.466       371.0090 209.8857 8.238116 210.3190 4.201719 
-0.4332886     9.247757 
1 1 1 8   16  15 o 172.3363 2.991652  5308.668       98.69432 7381.443       
454.6446 5206.160       101.1053 187.2077 5.784545 157.4649 1.529365 29.74286 
5.983304 
1 1 1 8   16  16 o 190.1747 4.355167  7705.109       308.8404 7445.415       
588.4833 7803.823       362.8205 187.7534 7.465646 192.5959 4.487100 -4.842499 
8.710335 
1 1 1 8   16  17 o 304.6529 4.870941  19464.71       509.6481 19831.86       
1109.489 19366.52       573.7643 305.9493 8.637630 303.3565 4.505068 2.592865 
9.741882 
1 1 1 8   16  18 o 94.05585 1.948869  1857.260       76.90738 1767.610       
107.0814 1952.773       110.5274 91.71291 2.781022 96.39879 2.730986 -4.685883 
3.897739 
1 1 1 8   16  19 o 93.68794 2.172428  1845.988       85.38813 1760.676       
120.4805 1932.088       121.0355 91.50932 3.135976 95.86657 3.007229 -4.357254 
4.344856 
1 1 1 8   16  20 o 195.9657 2.089073  8032.426       163.3625 8210.342       
279.7392 7940.351       201.2431 197.5545 3.372776 194.3768 2.466026 3.177734 
4.178145 
1 1 1 8   16  21 o 162.7612 2.453941  5575.226       167.3731 5583.841       
244.3452 5567.611       229.7327 162.8667 3.573492 162.6557 3.364144 0.2109375 
4.907882 
1 1 1 8   16  22 o 233.3271 2.723408  11151.09       221.6399 12050.29       
479.2850 10906.49       249.9741 238.9106 4.778368 227.7437 2.614386 11.16684 
5.446817 
1 1 1 8   16  23 o 95.06329 2.329580  1907.079       92.71799 1827.836       
134.4554 1978.927       128.0268 93.16358 3.437582 96.96301 3.144965 -3.799431 
4.659161 
1 1 1 8   16  24 o 105.2741 1.985111  2324.813       86.82408 2376.452       
133.3845 2286.845       114.3721 106.2706 2.989602 104.2777 2.612460 1.992928 
3.970223 
1 1 1 8   16  25 o 117.9866 2.076241  2922.016       102.7218 2774.277       
141.2169 3088.026       149.6947 114.8277 2.929280 121.1456 2.943201 -6.317841 
4.152483 
1 1 1 8   16  26 o 41.16398 3.434052  347.0973       57.86865 479.1900       
90.15735 254.5472       75.46581 47.63916 4.507732 34.68880 5.181816 12.95036 
6.868105 
1 1 1 8   16  27 o 88.87029 2.441386  1654.721       90.57681 1753.623       
136.9663 1577.852       120.7506 91.20334 3.577041 86.53724 3.323589 4.666100 
4.882772 
1 1 1 8   16  28 o 111.7036 2.027619  2629.235       94.64042 2618.694       
140.6953 2637.946       127.9012 111.4801 3.006099 111.9272 2.721824 
-0.4470825     4.055238 
1 1 1 8   16  29 o 123.2325 3.403682  3116.354       146.9261 3428.284       
316.6549 3030.773       165.8610 126.6424 5.955636 119.8226 3.297058 6.819809 
6.807363 
1 1 1 8   16  30 o 68.13304 3.886762  1039.846       89.79974 910.5822       
190.4879 1076.782       101.8243 64.89732 6.991360 71.36876 3.398320 -6.471436 
7.773525 
1 1 1 8   16  31 o 66.43674 4.887948  940.7416       127.7264 1013.139       
227.1726 907.2764       154.4507 67.89645 7.969481 64.97702 5.661757 2.919426 
9.775895 
1 1 1 8   16  32 o 67.46901 5.027871  972.1857       127.9863 1065.493       
245.3939 937.3203       150.0042 69.00140 8.470847 65.93661 5.418734 3.064796 
10.05574 
1 1 1 8   16  33 o 99.57036 3.975409  2037.762       150.8440 2447.918       
290.5439 1886.409       176.4946 105.4175 6.564777 93.72319 4.485444 11.69434 
7.950818 
1 1 1 8   16  34 f 35.59819 7.417812  258.3393       111.0987 493.6530       
213.9871 171.5032       129.9913 43.79977 11.49271 27.39662 9.381536 16.40314 
14.83562 
1 1 1 8   16  35 o 25.85720 7.217415  131.0095       110.0950 84.11140       
211.4792 148.4452       128.9465 25.93328 11.04589 25.78113 9.292608 0.1521530 
14.43483 
1 1 1 8   16  36 o 27.50452 7.512558  164.8064       113.4398 197.5950       
217.3252 152.5269       132.9960 29.26440 11.70405 25.74465 9.421745 3.519753 
15.02512 
1 1 1 8   16  37 o 46.22011 6.766162  547.0496       112.2696 557.0424       
225.9611 543.7742       129.3675 43.77122 11.95986 48.66900 6.331316 -4.897781 
13.53232 
1 1 1 8   16  38 o 52.08931 6.881649  671.4679       121.1464 818.5480       
264.0187 632.2415       136.3477 52.00226 12.27541 52.17635 6.224367 
-0.1740875     13.76330 
1 1 1 8   16  39 o 23.87672 7.106919  132.9692       115.8388 91.14228       
226.5289 147.7795       134.7960 23.80786 10.73166 23.94559 9.320122 
-0.1377316     14.21384 
1 1 1 8   16  40 o 65.37730 6.464190  1189.758       149.2459 1205.373       
281.8053 1183.672       175.9470 60.82465 11.45546 69.92994 5.992939 -9.105289 
12.92838 
1 1 1 8   17  0  f 195.9944 2.407135  8106.518       186.8767 7974.934       
321.8322 8173.454       229.5380 194.7479 3.936205 197.2408 2.771909 -2.492828 
4.814269 
1 1 1 8   17  1  o 275.9647 3.353673  16041.92       388.0455 15219.47       
551.8339 16846.40       545.7748 268.9402 4.887354 282.9893 4.593720 -14.04910 
6.707346 
1 1 1 8   17  2  o 207.0998 2.761774  9024.209       239.9192 8701.374       
342.0500 9336.855       336.6093 203.4431 4.004680 210.7566 3.804223 -7.313507 
5.523547 
1 1 1 8   17  3  o 224.3859 3.633651  10442.50       294.3500 10891.66       
600.8757 10300.68       337.6362 227.3838 6.294281 221.3880 3.632586 5.995804 
7.267301 
1 1 1 8   17  4  o 308.3848 4.467776  20111.22       571.9103 19468.36       
869.3434 20601.72       759.3716 303.9379 6.812831 312.8318 5.781819 -8.893951 
8.935553 
1 1 1 8   17  5  o 116.3401 2.819065  2843.106       137.6935 0.000000       
0.000000 2843.106       137.6935 ?        ?        116.3401 2.819065 ? ? 
1 1 1 8   17  6  f 39.79701 3.930292  349.9758       60.13120 299.2009       
99.52947 379.1617       75.45951 37.12498 6.624015 42.46905 4.232164 -5.344074 
7.860584 
1 1 1 8   17  7  o 130.5082 2.205587  3494.818       117.4367 3249.440       
147.3017 3922.836       194.5455 124.3773 2.820902 136.6391 3.391309 -12.26184 
4.411175 
1 1 1 8   17  8  o 84.49138 2.236920  1501.674       76.52973 1492.518       
125.9692 1507.031       96.34877 84.27790 3.560179 84.70485 2.709312 
-0.4269485     4.473840 
1 1 1 8   17  9  o 359.5635 5.026483  27495.75       685.5493 26675.89       
1271.893 27831.48       813.8954 355.4287 8.523521 363.6982 5.330261 -8.269562 
10.05297 
1 1 1 8   17  10 o 168.3119 2.680747  6003.317       162.4677 5857.563       
327.5311 6050.885       187.1098 166.8933 4.674496 169.7306 2.625775 -2.837341 
5.361493 
1 1 1 8   17  11 o 117.4059 2.296226  2816.514       98.82441 3059.985       
199.1015 2736.923       113.8371 120.6552 3.930516 114.1566 2.375220 6.498550 
4.592453 
1 1 1 8   17  12 o 194.4462 3.673573  8034.254       246.2798 7819.105       
527.5837 8094.201       278.4839 192.6291 6.523647 196.2632 3.379732 -3.634079 
7.347147 
1 1 1 8   17  13 o 186.5616 3.809278  7455.111       258.2242 7068.767       
509.6416 7588.552       299.5170 183.1196 6.629047 190.0036 3.754747 -6.883987 
7.618556 
1 1 1 8   17  14 o 80.32054 2.806887  1338.245       83.15128 1394.652       
164.3289 1318.832       96.40388 81.41247 4.807775 79.22861 2.898235 2.183861 
5.613775 
1 1 1 8   17  15 o 125.7136 3.388770  3299.164       145.1872 3372.376       
319.8943 3280.171       162.9352 126.4910 6.023767 124.9362 3.106331 1.554756 
6.777540 
1 1 1 8   17  16 o 31.93644 3.911755  218.9813       51.08593 210.8996       
75.06259 225.9546       69.72514 31.11683 5.958282 32.75606 5.070127 -1.639231 
7.823510 
1 1 1 8   17  17 o 35.74540 3.508647  270.1067       52.35987 258.7725       
77.30788 279.7122       71.16862 35.04269 5.254694 36.44812 4.650873 -1.405430 
7.017295 
1 1 1 8   17  18 o 52.77474 2.574050  576.8568       56.57166 684.8291       
86.04601 494.6527       75.07941 57.05883 3.591939 48.49065 3.687941 8.568188 
5.148099 
1 1 1 8   17  19 o 130.5137 2.243586  3574.596       121.1191 3626.322       
188.7969 3538.418       157.8928 131.2947 3.425064 129.7327 2.898904 1.562012 
4.487171 
1 1 1 8   17  20 o 125.7903 2.178697  3305.294       113.1981 3452.240       
178.4295 3206.313       146.4412 128.0943 3.317859 123.4863 2.824658 4.608040 
4.357394 
1 1 1 8   17  21 o 37.82091 4.066944  341.9671       56.36308 146.3040       
81.44376 521.8080       78.08138 25.86662 7.224909 49.77520 3.736418 -23.90858 
8.133888 
1 1 1 8   17  22 o 165.9628 1.919007  5788.662       131.9320 5820.279       
204.1437 5765.986       172.8876 166.3259 2.923460 165.5996 2.486712 0.7262268 
3.838015 
1 1 1 8   17  23 o 137.7772 2.177562  3991.437       125.5418 4040.121       
185.7446 3950.493       170.3397 138.5364 3.193548 137.0180 2.961142 1.518372 
4.355124 
1 1 1 8   17  24 o 51.02966 2.778014  553.2380       59.04015 497.4647       
86.05196 602.8428       81.15391 48.56418 4.220518 53.49514 3.613401 -4.930958 
5.556027 
1 1 1 8   17  25 o 113.5814 1.940324  2713.904       90.77107 2712.484       
142.9332 2714.863       117.5086 113.5339 2.998671 113.6290 2.463211 
-0.9516144E-01 3.880648 
1 1 1 8   17  26 o 114.8860 2.351897  2766.789       113.1609 2589.742       
153.6647 2976.565       167.2663 110.8921 3.300613 118.8798 3.351362 -7.987770 
4.703794 
1 1 1 8   17  27 o 108.8726 2.300630  2498.126       105.0934 2388.152       
148.1513 2609.518       149.1023 106.4525 3.314903 111.2928 3.191084 -4.840363 
4.601261 
1 1 1 8   17  28 o 61.50058 2.595112  799.7288       66.40189 790.7694       
100.5909 806.6479       88.39892 61.16966 3.916912 61.83150 3.405323 
-0.6618347     5.190224 
1 1 1 8   17  29 o 87.82162 2.453304  1610.013       89.87821 1812.660       
136.7875 1456.054       119.2281 92.61862 3.517783 83.02461 3.420526 9.594009 
4.906607 
1 1 1 8   17  30 o 99.15701 2.407563  2084.566       99.66151 2021.903       
147.7439 2136.887       135.0017 97.74346 3.600336 100.5705 3.197345 -2.827087 
4.815126 
1 1 1 8   17  31 o 60.92919 3.705876  797.6269       94.52783 833.1451       
130.9024 758.9225       136.6477 62.40730 4.996126 59.45108 5.474740 2.956219 
7.411751 
1 1 1 8   17  32 o 58.81286 5.265799  727.3817       119.8059 862.4390       
223.9102 673.2059       141.8136 61.95842 8.607850 55.66730 6.067904 6.291119 
10.53160 
1 1 1 8   17  33 o 38.42196 7.206238  357.9090       112.0968 355.5369       
204.7829 358.9239       133.9469 37.72755 11.71278 39.11636 8.398234 -1.388802 
14.41248 
1 1 1 8   17  34 f 64.88914 5.104717  935.0798       120.7022 978.0531       
240.2293 920.5673       139.6033 64.75517 8.836344 65.02312 5.113861 
-0.2679443     10.20943 
1 1 1 8   17  35 o 64.15748 5.704623  1023.870       127.4946 824.3057       
236.9914 1105.150       151.2457 57.29643 10.21956 71.01852 5.072622 -13.72209 
11.40925 
1 1 1 8   17  36 f 82.38364 4.786067  1546.966       148.1818 1572.545       
278.6866 1536.883       174.9649 81.26925 8.167908 83.49803 4.991094 -2.228783 
9.572133 
1 1 1 8   17  37 o 36.91219 7.148637  408.8206       120.7924 220.9069       
226.8612 483.1744       142.7028 29.45572 11.88410 44.36866 7.948595 -14.91294 
14.29727 
1 1 1 8   17  38 o 29.48061 7.218202  209.5543       101.4549 350.5774       
189.0156 152.4819       120.2445 34.20903 11.31269 24.75220 8.968438 9.456825 
14.43640 
1 1 1 8   17  39 o 28.70601 7.814662  212.2145       119.0234 410.0932       
235.2722 144.1516       137.9831 33.62165 12.49672 23.79038 9.386566 9.831270 
15.62932 
1 1 1 8   17  40 o 39.97550 7.300055  544.9070       126.0964 446.0442       
244.7434 580.6339       147.1268 32.60032 12.58528 47.35069 7.400937 -14.75037 
14.60011 
1 1 1 8   18  0  o 160.9836 1.917770  5178.856       74.52238 5779.054       
253.7977 5122.226       77.95885 165.7735 3.646646 156.1937 1.188839 9.579819 
3.835540 
1 1 1 8   18  1  o 188.9330 3.370013  7396.554       206.3433 7700.204       
487.9747 7330.437       227.7026 191.0922 6.082405 186.7738 2.903844 4.318451 
6.740026 
1 1 1 8   18  2  o 83.87410 2.401958  1513.724       75.12590 1401.777       
141.5983 1557.581       88.62849 81.63838 4.131282 86.10983 2.451555 -4.471443 
4.803916 
1 1 1 8   18  3  o 79.18495 2.486573  1356.892       75.43477 1220.704       
134.8534 1418.914       91.00489 76.18492 4.216128 82.18498 2.637506 -6.000061 
4.973145 
1 1 1 8   18  4  o 99.08695 2.633617  2160.007       98.70122 1835.359       
177.3335 2305.719       118.8040 93.40845 4.521951 104.7655 2.701058 -11.35701 
5.267234 
1 1 1 8   18  5  o 271.8416 4.221173  15615.25       461.4170 15394.89       
770.0183 15738.71       576.3549 270.2025 6.787859 273.4807 5.019777 -3.278229 
8.442346 
1 1 1 8   18  6  o 230.2983 4.316469  11300.83       393.1348 10784.70       
673.5456 11567.52       484.1656 226.1216 7.094895 234.4749 4.918340 -8.353317 
8.632937 
1 1 1 8   18  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   18  8  o 102.3042 2.517745  2221.999       105.2396 2097.727       
166.9525 2303.935       135.5646 99.89135 3.980946 104.7170 3.083542 -4.825699 
5.035490 
1 1 1 8   18  9  o 120.0245 2.271623  3037.960       101.7810 3003.003       
194.8411 3051.080       119.3613 119.5210 3.882912 120.5281 2.358829 -1.007080 
4.543246 
1 1 1 8   18  10 o 125.1747 2.305920  3288.818       115.4642 3304.677       
195.8828 3280.374       142.9365 125.3864 3.721064 124.9631 2.724473 0.4232559 
4.611840 
1 1 1 8   18  11 o 239.4936 4.139367  11644.95       239.3035 12625.13       
808.6274 11550.87       250.5252 244.4872 7.877953 234.5001 2.544659 9.987152 
8.278733 
1 1 1 8   18  12 o 262.6630 6.328544  14543.09       697.8813 0.000000       
0.000000 14543.09       697.8813 ?        ?        262.6630 6.328544 ? ? 
1 1 1 8   18  13 o 264.0934 5.832613  14453.54       504.6717 15231.98       
1178.952 14278.90       558.4218 267.7522 10.48779 260.4345 5.107223 7.317688 
11.66523 
1 1 1 8   18  14 o 165.4514 1.987425  5661.820       129.8184 6013.528       
229.2344 5495.770       157.5102 169.1501 3.227963 161.7527 2.319414 7.397446 
3.974850 
1 1 1 8   18  15 o 61.91068 2.287864  803.2296       59.37597 858.4153       
86.77026 754.6336       81.42500 63.90442 3.234157 59.91695 3.236899 3.987469 
4.575728 
1 1 1 8   18  16 o 132.6016 2.022835  3587.742       107.7047 4057.451       
185.8505 3350.220       132.1603 138.9275 3.186373 126.2758 2.492884 12.65176 
4.045669 
1 1 1 8   18  17 o 59.06706 2.444962  733.8933       60.32229 732.6084       
89.91956 734.9448       81.34123 59.01435 3.629256 59.11977 3.277171 
-0.1054268     4.889923 
1 1 1 8   18  18 o 101.7325 2.070032  2162.543       87.49781 2265.546       
135.0546 2088.035       114.8640 103.7979 3.099146 99.66701 2.745072 4.130882 
4.140063 
1 1 1 8   18  19 o 64.96799 2.324967  886.4500       63.31571 913.6669       
92.67979 862.6306       86.70263 65.89881 3.349874 64.03716 3.224937 1.861649 
4.649933 
1 1 1 8   18  20 o 188.1987 2.610684  7302.904       194.1018 7912.913       
343.7298 7017.320       235.1891 193.7579 4.225506 182.6395 3.067210 11.11839 
5.221368 
1 1 1 8   18  21 o 194.1750 2.320555  7971.646       185.0574 7762.009       
291.8818 8112.558       239.3022 191.9732 3.621492 196.3769 2.902534 -4.403702 
4.641111 
1 1 1 8   18  22 o 82.50673 2.098850  1415.149       72.16992 1576.125       
110.5506 1295.593       95.27248 86.54134 3.042695 78.47213 2.891832 8.069206 
4.197700 
1 1 1 8   18  23 o 61.73648 2.513680  804.0811       64.92385 786.7992       
95.32829 819.0316       88.66569 61.10701 3.715796 62.36596 3.386328 -1.258942 
5.027361 
1 1 1 8   18  24 o 62.67890 2.561280  822.2077       67.13893 889.3560       
100.5031 768.0925       90.22402 64.97103 3.684520 60.38678 3.558782 4.584255 
5.122560 
1 1 1 8   18  25 o 71.66582 2.578571  1056.914       76.33575 1222.964       
121.9733 950.0015       97.87240 76.17250 3.814061 67.15913 3.471173 9.013374 
5.157141 
1 1 1 8   18  26 o 83.94571 2.283039  1479.635       80.22594 1539.697       
118.9570 1429.525       108.6549 85.49631 3.314084 82.39511 3.141006 3.101196 
4.566079 
1 1 1 8   18  27 o 23.31707 5.095613  105.9185       56.30049 169.4698       
87.84722 61.62021       73.34308 27.64534 7.414331 18.98879 6.992052 8.656549 
10.19123 
1 1 1 8   18  28 o 57.18281 2.944590  689.7362       70.39745 715.6556       
105.2126 668.7265       94.72530 58.13581 4.310671 56.22980 4.012550 1.906010 
5.889181 
1 1 1 8   18  29 o 154.6829 2.419631  5061.607       155.5882 5010.708       
236.5756 5100.403       206.5400 153.9242 3.660869 155.4416 3.164886 -1.517395 
4.839263 
1 1 1 8   18  30 o 60.04042 3.513535  783.9812       86.00716 696.6685       
134.3556 844.6025       111.9515 57.02016 5.612396 63.06068 4.228560 -6.040516 
7.027070 
1 1 1 8   18  31 o 89.97273 3.163332  1712.627       118.9532 1515.939       
160.7645 1950.593       176.8313 84.28766 4.543047 95.65780 4.403113 -11.37014 
6.326665 
1 1 1 8   18  32 o 24.04134 6.350276  107.7556       86.37633 121.3901       
115.5009 90.45423       130.1088 24.54186 8.799857 23.54081 9.157866 1.001051 
12.70055 
1 1 1 8   18  33 o 80.22286 3.556099  1393.308       119.6372 1320.931       
169.3199 1465.467       169.0654 78.07533 5.165535 82.37040 4.888826 -4.295074 
7.112199 
1 1 1 8   18  34 o 50.87157 5.031879  561.0175       100.1416 647.8020       
182.0952 523.3914       119.9008 53.01857 8.180723 48.72457 5.861314 4.293995 
10.06376 
1 1 1 8   18  35 o 39.81433 6.892322  441.6711       115.1351 256.8501       
217.5732 513.5568       135.6908 32.03767 11.99566 47.59099 6.791206 -15.55332 
13.78464 
1 1 1 8   18  36 o 31.16948 7.431145  248.3336       106.2516 241.7969       
222.3385 250.2682       120.9570 30.80610 11.97411 31.53284 8.803886 
-0.7267399     14.86229 
1 1 1 8   18  37 o 30.99357 7.140181  225.1017       99.71719 370.7465       
185.5248 165.9324       118.2503 36.11317 11.13572 25.87398 8.940044 10.23919 
14.28036 
1 1 1 8   18  38 o 19.51254 6.204484  -22.67698      114.1773 -318.9602      
224.5952 80.57994       132.5887 17.47953 8.608929 21.54556 8.936938 -4.066023 
12.40897 
1 1 1 8   18  39 o 28.67949 7.739075  196.9451       117.5488 451.0393       
232.9935 110.1856       136.1460 35.15345 12.50901 22.20553 9.115800 12.94792 
15.47815 
1 1 1 8   18  40 o 34.41157 8.211826  343.9404       125.8001 694.2836       
257.0255 233.5741       144.2606 41.62268 13.15965 27.20045 9.826488 14.42223 
16.42365 
1 1 1 8   19  0  o 245.4000 2.765877  12731.43       259.1266 12535.78       
477.4979 12813.10       308.5054 243.9245 4.662697 246.8755 2.976500 -2.950989 
5.531753 
1 1 1 8   19  1  o 79.14677 1.920729  1289.556       56.99261 1376.193       
110.3849 1258.066       66.54884 80.90299 3.249871 77.39056 2.048206 3.512428 
3.841459 
1 1 1 8   19  2  o 97.10077 2.020693  1969.971       71.55396 2004.794       
143.0546 1958.353       82.63367 97.64230 3.489674 96.55924 2.038376 1.083054 
4.041386 
1 1 1 8   19  3  o 134.9707 2.307203  3679.453       83.92263 4028.568       
251.1631 3635.577       89.04023 138.3621 4.323742 131.5794 1.611830 6.782654 
4.614406 
1 1 1 8   19  4  o 81.31065 2.261922  1375.183       67.76563 1419.759       
133.8345 1359.815       78.58392 82.16323 3.879820 80.45808 2.326404 1.705154 
4.523843 
1 1 1 8   19  5  o 162.1337 3.321584  5594.359       202.5411 5392.763       
380.5335 5674.045       239.2452 159.9769 5.665742 164.2906 3.468579 -4.313751 
6.643167 
1 1 1 8   19  6  o 150.6483 3.646867  4870.707       203.3769 4581.912       
389.2941 4979.115       238.5135 147.4059 6.290484 153.8906 3.691661 -6.484756 
7.293734 
1 1 1 8   19  7  o 116.7685 3.464909  2696.924       130.9339 3147.775       
318.6530 2605.341       143.6180 122.1902 6.211587 111.3467 3.072222 10.84355 
6.929817 
1 1 1 8   19  8  o 91.04323 3.092283  1741.838       118.1968 0.000000       
0.000000 1741.838       118.1968 ?        ?        91.04323 3.092283 ? ? 
1 1 1 8   19  9  o 54.02752 5.729322  615.0020       129.9563 615.0020       
129.9563 0.000000       0.000000 54.02752 5.729322 ?        ?        ? ? 
1 1 1 8   19  10 o 18.86388 5.533275  26.24090       62.77555 4.675215       
132.3914 32.49593       71.30059 20.73443 8.781951 16.99332 6.733934 3.741114 
11.06655 
1 1 1 8   19  11 o 92.25291 2.619756  1551.645       80.19426 2198.732       
196.6068 1422.498       87.83306 102.2178 4.581345 82.28799 2.542392 19.92982 
5.239511 
1 1 1 8   19  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   19  13 o 133.0413 1.865536  3691.410       103.5607 3958.263       
157.2492 3487.022       137.6198 137.2517 2.728927 128.8310 2.544379 8.420746 
3.731073 
1 1 1 8   19  14 o 213.1525 2.510736  9268.655       181.1844 10041.32       
408.5472 9079.481       202.1511 218.4100 4.455442 207.8951 2.316077 10.51491 
5.021472 
1 1 1 8   19  15 o 73.76431 2.135361  1138.719       65.96462 1216.351       
97.59256 1073.417       89.50711 76.06765 3.055890 71.46098 2.983387 4.606674 
4.270722 
1 1 1 8   19  16 o 36.39751 3.383655  275.5661       51.19427 304.0327       
79.42068 255.3299       66.96236 37.97935 4.980893 34.81567 4.581177 3.163677 
6.767309 
1 1 1 8   19  17 o 78.94733 2.101790  1313.589       69.22884 1280.653       
103.1404 1340.594       93.39252 78.03683 3.148114 79.85782 2.785580 -1.820984 
4.203579 
1 1 1 8   19  18 o 118.4990 2.257780  2940.687       111.6835 3071.083       
168.6019 2838.737       149.0820 120.8190 3.323901 116.1789 3.056463 4.640167 
4.515561 
1 1 1 8   19  19 o 34.25074 3.796393  253.9315       52.68012 230.0241       
78.06307 273.9238       71.38579 32.46843 5.948386 36.03305 4.718803 -3.564617 
7.592786 
1 1 1 8   19  20 o 106.9695 1.998040  2403.177       89.35214 2444.756       
133.1145 2369.079       120.5445 107.8015 2.941180 106.1375 2.705201 1.664001 
3.996079 
1 1 1 8   19  21 o 89.93027 2.147809  1705.074       80.88345 1650.015       
117.5407 1754.596       111.4733 88.53941 3.162079 91.32111 2.907506 -2.781700 
4.295618 
1 1 1 8   19  22 o 44.15256 3.190477  412.5435       58.81668 400.8700       
87.18215 422.2949       79.68167 43.56359 4.766779 44.74153 4.241981 -1.177937 
6.380955 
1 1 1 8   19  23 o 129.2486 2.217411  3503.834       116.3969 3563.829       
191.2601 3468.543       146.6893 130.0820 3.502095 128.4151 2.720841 1.666901 
4.434823 
1 1 1 8   19  24 o 93.19112 2.122600  1833.992       82.61272 1619.590       
116.8897 2047.971       116.7744 87.71648 3.174067 98.66576 2.819047 -10.94927 
4.245201 
1 1 1 8   19  25 o 70.15425 2.270172  1038.522       66.67480 999.7997       
96.89526 1073.346       91.88863 68.90014 3.349681 71.40837 3.065023 -2.508232 
4.540345 
1 1 1 8   19  26 o 68.98872 2.619285  998.4788       75.34655 1047.195       
114.4845 961.2535       100.0754 70.45069 3.870636 67.52674 3.529984 2.923950 
5.238570 
1 1 1 8   19  27 o 78.82693 2.534691  1298.835       83.48332 1467.440       
125.2237 1163.947       112.0055 83.38884 3.576843 74.26502 3.592330 9.123817 
5.069382 
1 1 1 8   19  28 o 100.3106 2.316528  2126.101       97.22420 2091.714       
142.8998 2155.737       132.6618 99.53043 3.419770 101.0907 3.125761 -1.560272 
4.633056 
1 1 1 8   19  29 o 163.3361 2.888067  5617.387       194.6471 5856.224       
307.6152 5457.906       251.3695 166.0801 4.411755 160.5920 3.728290 5.488037 
5.776134 
1 1 1 8   19  30 f 29.02500 6.606878  183.9677       92.86551 141.6569       
132.5917 224.7076       130.1069 26.60090 9.439391 31.44909 9.246688 -4.848198 
13.21376 
1 1 1 8   19  31 o 55.27132 3.931647  657.9351       91.22063 673.1927       
129.6150 642.9612       128.4044 55.91597 5.521290 54.62667 5.598818 1.289291 
7.863295 
1 1 1 8   19  32 o 56.73429 4.468706  703.1644       106.3649 740.8318       
152.4208 667.4093       148.5011 58.24497 6.233140 55.22362 6.405098 3.021355 
8.937411 
1 1 1 8   19  33 o 38.08242 6.069570  347.1212       94.99197 293.2642       
138.4354 395.0437       130.5858 34.89011 9.284930 41.27473 7.819768 -6.384621 
12.13914 
1 1 1 8   19  34 o 57.37168 4.301033  730.6299       103.2487 799.2690       
146.4347 662.7708       145.6003 60.19605 5.794248 54.54730 6.357846 5.648750 
8.602065 
1 1 1 8   19  35 o 44.59246 4.888595  452.0214       91.41412 480.1075       
132.9225 426.8165       125.9197 45.91267 6.895840 43.27224 6.931149 2.640430 
9.777189 
1 1 1 8   19  36 o 41.46223 7.147085  466.1425       118.3620 392.7466       
225.4872 494.0576       139.0607 36.83736 12.35600 46.08710 7.186974 -9.249737 
14.29417 
1 1 1 8   19  37 o 19.98802 6.555839  -58.84594      114.0348 29.41712       
222.1538 -90.42278      132.8766 23.68671 10.65499 16.28933 7.641152 7.397379 
13.11168 
1 1 1 8   19  38 o 50.62845 7.059609  769.4030       128.7089 534.7465       
243.5573 860.3255       151.6074 40.22637 12.81962 61.03053 5.916901 -20.80416 
14.11922 
1 1 1 8   19  39 o 16.95916 5.858344  -146.1622      118.4281 -220.9623      
241.5201 -122.4843      135.8855 18.71078 9.157725 15.20753 7.308681 3.503258 
11.71669 
1 1 1 8   19  40 o 31.16456 6.953034  353.8341       123.6371 95.83477       
246.8543 440.2248       142.8448 23.10521 10.70186 39.22392 8.879692 -16.11871 
13.90607 
1 1 1 8   20  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   20  1  o 166.7023 2.399271  5624.304       139.9077 6252.045       
303.3885 5454.752       157.6741 172.2890 4.194331 161.1156 2.331008 11.17336 
4.798543 
1 1 1 8   20  2  o 161.8042 2.361546  5504.267       156.9538 5518.038       
249.3563 5495.230       201.9861 161.9389 3.667668 161.6696 2.975872 0.2693787 
4.723093 
1 1 1 8   20  3  o 149.3924 2.417000  4679.104       130.5941 4723.282       
263.7735 4664.758       150.3092 149.7856 4.194517 148.9992 2.402828 0.7864075 
4.834000 
1 1 1 8   20  4  o 159.5327 2.655549  5449.420       140.6781 5198.753       
315.3720 5511.689       157.1826 157.0940 4.781726 161.9715 2.311462 -4.877579 
5.311098 
1 1 1 8   20  5  o 223.6735 3.067570  10558.51       272.3056 10447.05       
467.7462 10615.65       334.9102 222.6763 5.003310 224.6706 3.550611 -1.994339 
6.135140 
1 1 1 8   20  6  o 102.3108 2.431602  2191.318       88.45514 2219.221       
183.3259 2182.851       100.9883 102.6882 4.252304 101.9334 2.359803 0.7548523 
4.863204 
1 1 1 8   20  7  o 35.24580 4.051047  292.7337       51.91050 204.8070       
90.36383 336.0420       63.41902 30.52067 7.166716 39.97093 3.779169 -9.450266 
8.102094 
1 1 1 8   20  8  o 134.5980 2.668861  3869.127       122.9946 3708.907       
264.9957 3913.119       138.8573 132.7179 4.755876 136.4782 2.423409 -3.760284 
5.337721 
1 1 1 8   20  9  o 210.9485 3.594965  9309.459       219.9041 9464.029       
592.8388 9284.798       236.7974 211.6893 6.670505 210.2077 2.683178 1.481689 
7.189929 
1 1 1 8   20  10 o 192.3449 3.792603  7781.677       306.2647 0.000000       
0.000000 7781.677       306.2647 ?        ?        192.3449 3.792603 ? ? 
1 1 1 8   20  11 o 16.57891 5.349966  -66.71408      79.63235 -141.7543      
141.8589 -32.18858      96.22321 16.97484 7.950557 16.18297 7.160809 0.7918644 
10.69993 
1 1 1 8   20  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   20  13 o 118.2319 2.024084  2922.526       99.37686 3040.670       
153.5294 2837.333       130.3730 120.2679 3.040627 116.1959 2.672501 4.071991 
4.048169 
1 1 1 8   20  14 o 137.6010 1.845447  3969.682       106.1968 4081.076       
158.2059 3878.325       143.2719 139.3481 2.704224 135.8538 2.511946 3.494324 
3.690894 
1 1 1 8   20  15 o 149.3676 2.152338  4618.119       124.5719 4879.955       
227.5786 4506.104       148.8520 152.2985 3.559237 146.4368 2.421171 5.861664 
4.304676 
1 1 1 8   20  16 o 126.6890 2.297981  3379.332       121.9537 3322.558       
177.6781 3429.905       167.6919 125.6725 3.367557 127.7055 3.127688 -2.033051 
4.595963 
1 1 1 8   20  17 o 350.2585 3.451109  25811.71       494.6665 26193.51       
796.4146 25571.90       631.1793 352.1716 5.386491 348.3454 4.315824 3.826263 
6.902218 
1 1 1 8   20  18 f 203.4148 2.502053  8713.641       209.6921 8696.543       
329.7354 8725.252       271.7141 203.1908 3.865296 203.6389 3.178137 
-0.4481049     5.004106 
1 1 1 8   20  19 o 83.87153 2.037182  1471.744       71.22124 1543.845       
108.3926 1416.965       94.47897 85.66122 3.013952 82.08184 2.741632 3.579376 
4.074365 
1 1 1 8   20  20 o 30.13982 4.293116  204.1398       52.82553 136.6947       
77.48260 262.7166       72.20904 25.01492 7.066550 35.26473 4.877217 -10.24981 
8.586232 
1 1 1 8   20  21 o 31.39870 4.315254  221.8387       54.78879 148.7197       
80.22415 285.7533       75.00500 26.02137 7.133492 36.77603 4.857876 -10.75466 
8.630508 
1 1 1 8   20  22 o 105.5951 2.117080  2349.699       93.30237 2314.078       
139.1651 2378.784       125.7512 104.8525 3.161351 106.3378 2.816732 -1.485359 
4.234160 
1 1 1 8   20  23 o 133.8308 1.913509  3772.883       107.3494 3616.075       
153.9076 3921.443       149.8054 131.1098 2.796057 136.5518 2.613070 -5.442017 
3.827018 
1 1 1 8   20  24 o 82.67419 2.161511  1425.496       74.46455 1542.246       
113.9734 1338.542       98.36071 85.59253 3.171676 79.75585 2.937516 5.836678 
4.323023 
1 1 1 8   20  25 o 161.9080 2.544160  5507.941       168.9744 5605.370       
270.4326 5445.542       216.4227 163.0114 3.951501 160.8045 3.205721 2.206955 
5.088321 
1 1 1 8   20  26 f 137.3679 2.102085  3958.832       119.8587 4074.996       
185.0697 3874.908       157.3060 139.0656 3.169835 135.6701 2.761736 3.395569 
4.204169 
1 1 1 8   20  27 o 80.84386 2.368648  1372.460       80.18336 1470.451       
118.7678 1290.389       108.6935 83.47820 3.388807 78.20953 3.310282 5.268677 
4.737296 
1 1 1 8   20  28 o 84.45697 2.295916  1496.277       81.14989 1645.411       
120.4789 1372.429       109.7908 88.28410 3.250495 80.62983 3.243332 7.654274 
4.591832 
1 1 1 8   20  29 o 83.18372 2.327000  1459.262       80.97273 1497.318       
120.3707 1427.806       109.4344 84.15218 3.407033 82.21526 3.170463 1.936913 
4.653999 
1 1 1 8   20  30 o 48.99232 4.241025  518.9053       86.92991 483.4365       
125.0237 552.1016       120.9523 47.30174 6.295588 50.68291 5.684256 -3.381172 
8.482051 
1 1 1 8   20  31 o 40.80620 5.049348  370.2267       84.39001 375.0804       
124.5954 366.1128       114.7078 40.66260 7.580688 40.94980 6.672095 
-0.2871971     10.09870 
1 1 1 8   20  32 o 18.38184 5.618914  -8.442094      81.16990 40.27680       
114.8908 -56.99304      114.6926 20.23846 8.352196 16.52521 7.518616 3.713247 
11.23783 
1 1 1 8   20  33 o 48.64902 5.035800  540.2374       98.39524 429.6208       
139.0365 651.2220       139.2676 42.91652 8.014292 54.38152 6.099857 -11.46501 
10.07160 
1 1 1 8   20  34 o 19.79010 5.954711  -5.432549      93.56020 -116.2357      
134.5813 98.20641       130.1578 16.23246 7.630560 23.34775 9.143789 -7.115294 
11.90942 
1 1 1 8   20  35 o 26.90745 6.642912  164.6976       95.20567 235.8921       
137.3383 98.83366       132.0968 30.61558 9.609544 23.19932 9.174411 7.416256 
13.28582 
1 1 1 8   20  36 o 28.34622 6.654167  198.1877       95.96667 271.8233       
137.0491 127.3464       134.4237 32.38036 9.480505 24.31208 9.339795 8.068281 
13.30833 
1 1 1 8   20  37 o 20.32196 5.798553  63.62312       78.69518 11.11875       
112.1936 114.4727       110.4114 17.95708 7.851250 22.68684 8.535266 -4.729761 
11.59711 
1 1 1 8   20  38 o 40.98175 7.239110  507.1621       125.4458 384.2681       
230.7877 558.6978       149.4517 34.13073 12.41909 47.83276 7.442119 -13.70203 
14.47822 
1 1 1 8   20  39 o 27.40084 7.681128  216.8586       120.1375 313.9042       
233.9721 182.1113       140.0028 29.52127 12.00627 25.28042 9.583750 4.240847 
15.36226 
1 1 1 8   21  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   21  1  o 116.3293 2.113857  2837.608       94.59987 2869.385       
173.2075 2824.099       112.9311 116.7433 3.533911 115.9152 2.320569 0.8281708 
4.227714 
1 1 1 8   21  2  o 55.98792 2.171364  620.0421       48.75719 794.8106       
85.77874 536.6263       59.26141 61.45852 3.324441 50.51732 2.794169 10.94120 
4.342729 
1 1 1 8   21  3  o 188.6820 2.771470  7498.509       219.4807 7306.687       
310.8102 7689.304       309.9767 186.2661 3.974498 191.0978 3.863619 -4.831696 
5.542941 
1 1 1 8   21  4  o 131.5445 2.429608  3658.646       126.3562 3586.801       
218.2093 3694.889       154.9840 130.5170 3.982240 132.5721 2.784554 -2.055161 
4.859216 
1 1 1 8   21  5  o 233.8084 3.759779  11143.18       291.2210 12182.13       
676.8342 10907.14       322.6109 239.9089 6.719810 227.7079 3.374598 12.20102 
7.519559 
1 1 1 8   21  6  o 79.38139 2.295938  1372.012       68.93048 1215.213       
125.3767 1439.939       82.52135 75.98170 3.930328 82.78107 2.374414 -6.799362 
4.591875 
1 1 1 8   21  7  o 112.6220 2.475033  2646.034       105.3789 2719.019       
199.5172 2617.797       124.1009 113.6396 4.181883 111.6045 2.648586 2.035049 
4.950066 
1 1 1 8   21  8  o 53.77331 2.728137  568.3840       56.53281 710.5255       
107.8208 514.4917       66.39046 58.08268 4.421574 49.46394 3.196967 8.618744 
5.456273 
1 1 1 8   21  9  o 62.37173 2.627960  816.4178       63.26487 823.9125       
115.1059 813.1738       75.72890 62.54794 4.383344 62.19553 2.900171 0.3524094 
5.255919 
1 1 1 8   21  10 o 153.0771 2.606139  4991.476       156.3911 4756.732       
272.4973 5106.774       190.9742 150.2942 4.318582 155.8599 2.918510 -5.565765 
5.212278 
1 1 1 8   21  11 f 180.7928 4.734407  6950.445       339.4592 6803.398       
581.9708 7026.275       417.9182 179.1021 7.739653 182.4835 5.454925 -3.381363 
9.468814 
1 1 1 8   21  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   21  13 o 149.9604 3.402794  4741.846       213.2463 4750.375       
288.2266 4731.532       316.9702 150.1406 4.572533 149.7803 5.040631 0.3603668 
6.805587 
1 1 1 8   21  14 o 197.1176 2.558796  8071.176       201.8000 8523.940       
346.1970 7838.165       248.3570 201.1789 4.098849 193.0562 3.064177 8.122681 
5.117591 
1 1 1 8   21  15 o 184.1825 2.227065  6942.136       153.5607 7564.135       
299.4835 6720.272       178.8633 189.5465 3.763382 178.8185 2.382483 10.72795 
4.454130 
1 1 1 8   21  16 o 35.32222 3.662808  273.2944       51.64015 222.9585       
76.50531 315.4213       69.98933 31.96126 5.923896 38.68318 4.309538 -6.721922 
7.325617 
1 1 1 8   21  17 o 219.1109 2.678185  9944.405       215.7892 10462.82       
429.2644 9769.100       249.6221 222.6922 4.591355 215.5296 2.758654 7.162659 
5.356371 
1 1 1 8   21  18 o 89.34604 2.072343  1681.111       77.64312 1595.844       
110.2296 1765.073       109.3832 87.08953 3.014763 91.60254 2.844227 -4.513008 
4.144686 
1 1 1 8   21  19 o 80.37181 2.160943  1349.936       72.30206 1429.603       
110.8736 1290.991       95.36992 82.41054 3.204546 78.33308 2.899929 4.077461 
4.321887 
1 1 1 8   21  20 o 133.2378 2.030179  3695.993       109.0480 3872.941       
183.6295 3599.598       135.5346 135.6360 3.224693 130.8395 2.467360 4.796555 
4.060358 
1 1 1 8   21  21 o 17.91893 4.848466  33.82703       53.32879 86.17313       
79.51286 -8.972225      71.89743 21.16406 7.329139 14.67380 6.349347 6.490260 
9.696932 
1 1 1 8   21  22 o 146.9615 2.211525  4525.803       136.0101 4785.384       
202.4401 4312.223       183.6278 150.7770 3.198029 143.1461 3.055484 7.630936 
4.423050 
1 1 1 8   21  23 o 144.5859 1.859015  4389.671       111.5292 4443.031       
171.8035 4350.805       146.6243 145.3237 2.815896 143.8482 2.427854 1.475510 
3.718029 
1 1 1 8   21  24 o 173.2701 1.969884  6325.513       141.5961 6260.688       
217.0746 6373.523       186.8103 172.4644 2.997993 174.0758 2.556133 -1.611389 
3.939769 
1 1 1 8   21  25 o 36.18823 4.183849  282.2491       61.76288 326.0243       
89.11506 241.7853       85.67809 39.20870 5.413645 33.16776 6.380503 6.040939 
8.367698 
1 1 1 8   21  26 o 62.87909 2.632759  835.3668       69.43200 850.5413       
96.60095 819.1499       99.86366 63.47969 3.624663 62.27849 3.819359 1.201199 
5.265519 
1 1 1 8   21  27 o 22.64431 4.939859  107.6857       53.69069 149.8261       
75.50711 64.58776       76.36027 25.94592 6.835609 19.34270 7.133253 6.603222 
9.879719 
1 1 1 8   21  28 o 50.46243 3.097678  542.6301       65.34418 495.4356       
93.68674 587.3380       91.18527 48.28601 4.621446 52.63884 4.126097 -4.352833 
6.195356 
1 1 1 8   21  29 o 22.90926 5.131873  113.3019       55.74328 128.4766       
75.24905 94.84760       82.98298 24.08608 7.016283 21.73243 7.491077 2.353651 
10.26375 
1 1 1 8   21  30 o 24.99223 6.511340  117.4890       90.11023 111.2382       
129.4996 123.3566       125.4663 24.75613 9.257474 25.22833 9.159115 
-0.4721966     13.02268 
1 1 1 8   21  31 o 68.20514 3.586650  995.1015       102.4088 1086.733       
151.7303 918.4340       138.7893 71.06828 5.085313 65.34201 5.059232 5.726265 
7.173300 
1 1 1 8   21  32 o 39.18798 5.811119  362.3252       94.88579 230.2280       
134.6976 492.4452       133.6857 31.18352 9.463065 47.19244 6.747355 -16.00892 
11.62224 
1 1 1 8   21  33 o 60.59271 4.252821  819.8193       106.1425 653.5416       
151.4889 980.1703       148.7646 54.14617 6.663989 67.03926 5.285566 -12.89309 
8.505642 
1 1 1 8   21  34 f 66.31982 4.009946  974.9270       110.8185 838.9477       
155.8244 1114.082       157.6333 61.39903 6.044982 71.24060 5.270376 -9.841572 
8.019892 
1 1 1 8   21  35 o 19.98392 5.897929  43.96052       82.98579 22.46952       
118.3241 64.76481       116.4184 19.13161 8.209044 20.83623 8.470765 -1.704618 
11.79586 
1 1 1 8   21  36 o 34.92605 6.346951  311.2529       97.76252 433.5849       
141.1908 198.5852       135.4989 41.85634 8.330234 27.99577 9.578221 13.86057 
12.69390 
1 1 1 8   21  37 o 62.63261 4.429801  907.1730       116.3956 886.9484       
166.3673 926.5643       162.9037 61.81281 6.410776 63.45240 6.115104 -1.639595 
8.859602 
1 1 1 8   21  38 o 26.04911 6.466587  153.3516       99.94021 308.2149       
144.3438 10.75297       138.5102 33.03206 9.748189 19.06617 8.499400 13.96589 
12.93317 
1 1 1 8   21  39 o 26.16203 7.038024  203.0677       103.2657 199.8394       
192.7484 204.3674       122.2984 25.77994 10.73939 26.54411 9.099482 
-0.7641678     14.07605 
1 1 1 8   22  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   22  1  o 149.3508 2.256047  4661.371       123.3508 4764.582       
245.3674 4626.464       142.6928 150.3499 3.887181 148.3516 2.291030 1.998260 
4.512094 
1 1 1 8   22  2  o 214.3308 2.735132  9788.443       199.8243 9495.464       
434.2728 9867.136       225.0657 212.0282 4.878541 216.6335 2.474599 -4.605240 
5.470265 
1 1 1 8   22  3  o 188.1490 2.732357  7469.142       213.8439 7379.258       
324.1803 7538.382       284.5267 187.0966 4.127070 189.2014 3.581953 -2.104752 
5.464714 
1 1 1 8   22  4  o 101.7842 2.185824  2173.958       89.83189 2200.462       
149.5148 2158.986       112.3766 102.2374 3.483338 101.3309 2.641527 0.9064407 
4.371648 
1 1 1 8   22  5  o 80.72165 2.358512  1297.879       71.60345 1537.434       
141.0658 1214.737       83.10527 85.43100 3.933030 76.01230 2.604148 9.418701 
4.717024 
1 1 1 8   22  6  o 225.8019 3.496628  10873.76       319.6508 10314.02       
519.5193 11214.76       405.4902 220.9066 5.601624 230.6971 4.186579 -9.790466 
6.993257 
1 1 1 8   22  7  o 108.2521 2.357648  2456.181       106.8931 2237.075       
146.5244 2705.457       156.2869 103.1073 3.384867 113.3968 3.282788 -10.28946 
4.715296 
1 1 1 8   22  8  o 107.7289 2.374147  2373.517       87.76062 2561.630       
194.1182 2325.190       98.38988 110.2662 4.193194 105.1916 2.227873 5.074593 
4.748294 
1 1 1 8   22  9  o 44.57436 3.416171  451.9486       55.85404 348.4936       
102.2276 495.9745       66.68787 40.59456 5.998204 48.55417 3.271458 -7.959606 
6.832342 
1 1 1 8   22  10 o 187.4238 5.319051  7291.684       230.3875 7665.375       
808.2534 7258.637       240.3588 189.0769 10.18193 185.7707 3.081796 3.306183 
10.63810 
1 1 1 8   22  11 o 199.1752 7.875265  8435.820       658.5356 0.000000       
0.000000 8435.820       658.5356 ?        ?        199.1752 7.875265 ? ? 
1 1 1 8   22  12 o 149.1589 3.471566  4691.523       217.3129 4590.816       
302.2241 4799.330       312.6971 147.5072 4.880192 150.8106 4.938704 -3.303421 
6.943131 
1 1 1 8   22  13 o 46.03824 3.755606  448.2262       72.44986 480.8322       
102.5625 415.7507       102.3570 47.72152 5.119122 44.35496 5.496627 3.366558 
7.511212 
1 1 1 8   22  14 o 55.06247 4.694593  639.6891       108.5257 639.6891       
108.5257 0.000000       0.000000 55.06247 4.694593 ?        ?        ? ? 
1 1 1 8   22  15 o 267.8446 5.951994  15347.22       666.8453 15702.22       
911.5243 14938.45       978.1165 271.4022 7.999743 264.2870 8.815273 7.115112 
11.90399 
1 1 1 8   22  16 o 170.2632 1.966785  6100.803       140.3320 6157.089       
193.1900 6037.928       204.1851 171.1059 2.689309 169.4205 2.870644 1.685455 
3.933570 
1 1 1 8   22  17 o 107.7650 1.885497  2424.452       84.66132 2583.081       
129.4105 2305.763       111.9392 110.8150 2.781583 104.7150 2.546211 6.099937 
3.770993 
1 1 1 8   22  18 o 140.1478 2.241082  4133.876       131.8544 4077.043       
185.3019 4192.165       187.6611 139.1719 3.171389 141.1236 3.167347 -1.951691 
4.482163 
1 1 1 8   22  19 o 101.4071 2.066288  2154.873       87.74769 2286.823       
129.8766 2044.059       119.0208 104.2478 2.967461 98.56644 2.876171 5.681351 
4.132576 
1 1 1 8   22  20 o 147.7070 1.923856  4591.317       118.6233 4611.043       
159.6557 4567.008       177.2353 148.0774 2.568130 147.3365 2.865239 0.7408295 
3.847711 
1 1 1 8   22  21 f 170.7022 2.179548  6131.985       156.1906 6087.297       
219.3409 6177.955       222.4660 170.0728 3.071891 171.3316 3.092767 -1.258804 
4.359097 
1 1 1 8   22  22 o 51.98326 2.808025  571.6440       60.94683 501.9822       
86.05930 641.7366       86.32499 48.78182 4.202047 55.18471 3.725965 -6.402893 
5.616050 
1 1 1 8   22  23 o 114.6324 2.043064  2763.418       98.29288 2848.752       
141.1358 2683.045       136.9720 116.3497 2.889303 112.9150 2.889355 3.434647 
4.086128 
1 1 1 8   22  24 f 126.2127 2.045625  3358.545       107.7768 3404.604       
145.4341 3302.435       160.5187 127.1942 2.723454 125.2312 3.053053 1.963043 
4.091251 
1 1 1 8   22  25 o 71.60474 2.375360  1081.039       71.40301 1086.551       
101.7162 1075.684       100.2578 71.78318 3.375114 71.42630 3.343345 0.3568802 
4.750721 
1 1 1 8   22  26 f 88.36276 2.250916  1647.146       83.45766 1636.068       
119.8160 1657.585       116.3157 88.06654 3.240597 88.65898 3.124904 
-0.5924454     4.501832 
1 1 1 8   22  27 o 29.38713 4.932367  193.6484       60.22501 163.1772       
85.06077 224.2781       85.28172 27.03151 7.316626 31.74275 6.616644 -4.711241 
9.864735 
1 1 1 8   22  28 f 56.84051 2.886694  683.7193       68.68388 760.9435       
99.52484 613.4951       94.90696 59.91594 3.956491 53.76509 4.204543 6.150848 
5.773387 
1 1 1 8   22  29 o 135.1977 3.430870  3869.673       179.7631 3989.587       
325.7975 3817.187       215.5431 136.2603 5.695075 134.1351 3.827478 2.125198 
6.861739 
1 1 1 8   22  30 f 86.91433 3.378354  1616.069       123.1873 1703.841       
176.6019 1532.890       171.9190 89.23359 4.713983 84.59507 4.840607 4.638519 
6.756708 
1 1 1 8   22  31 o 66.98550 3.480088  958.9644       97.26359 821.3884       
132.1364 1121.655       143.6921 61.71775 5.099566 72.25323 4.736926 -10.53548 
6.960176 
1 1 1 8   22  32 o 48.86165 4.694168  529.2358       95.99273 522.0508       
140.7495 535.4841       131.2556 48.44056 6.920839 49.28274 6.343723 
-0.8421822     9.388335 
1 1 1 8   22  33 o 44.17577 5.393560  453.6898       96.80334 404.2968       
140.6162 498.1864       133.4647 41.19628 8.421042 47.15525 6.741515 -5.958977 
10.78712 
1 1 1 8   22  34 o 70.85307 3.348960  1094.472       99.60693 1111.366       
142.2917 1078.240       139.4812 71.38243 4.747986 70.32371 4.724274 1.058723 
6.697920 
1 1 1 8   22  35 o 25.64663 6.708004  149.4240       95.97051 166.5568       
137.5422 133.1688       133.9738 26.54103 9.594282 24.75223 9.377583 1.788801 
13.41601 
1 1 1 8   22  36 o 37.45628 6.248039  356.5526       98.24397 463.8827       
143.3452 261.4774       134.9137 43.33121 8.178394 31.58134 9.448059 11.74988 
12.49608 
1 1 1 8   22  37 o 33.23404 6.930230  303.0757       103.3675 314.0104       
145.9197 292.0616       146.4492 33.88608 9.738053 32.58200 9.863197 1.304081 
13.86046 
1 1 1 8   22  38 o 43.35186 6.034825  495.7894       105.7944 476.6534       
153.3981 513.1478       146.1001 42.08367 8.950352 44.62005 8.097387 -2.536381 
12.06965 
1 1 1 8   22  39 o 45.69647 5.654438  554.9606       106.2516 573.6537       
151.6790 536.9500       148.8849 46.90004 7.703239 44.49290 8.279538 2.407146 
11.30888 
1 1 1 8   23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   23  1  o 49.38891 2.357777  442.3034       43.04329 673.7346       
90.81834 375.2570       48.88216 56.54074 3.825896 42.23708 2.756624 14.30366 
4.715555 
1 1 1 8   23  2  o 143.1308 2.372032  4335.099       136.0777 4241.177       
228.2717 4386.874       169.4840 141.8548 3.832913 144.4067 2.795518 -2.551895 
4.744064 
1 1 1 8   23  3  o 92.68127 2.043436  1809.099       73.18527 1802.647       
132.4554 1811.934       87.80535 92.52058 3.409984 92.84195 2.252671 
-0.3213654     4.086872 
1 1 1 8   23  4  o 25.80560 4.199856  167.9741       45.93085 58.26612       
81.57603 218.8970       55.57761 19.39274 7.326174 32.21846 4.108811 -12.82572 
8.399712 
1 1 1 8   23  5  o 213.4264 3.422935  9603.647       302.8665 9732.336       
468.1025 9510.985       397.2111 214.5535 5.196684 212.2993 4.456501 2.254272 
6.845869 
1 1 1 8   23  6  o 80.66826 2.381442  1364.156       76.55147 1388.581       
131.3233 1351.586       94.21408 81.17643 3.853301 80.16009 2.799489 1.016342 
4.762884 
1 1 1 8   23  7  o 103.1707 2.528680  2259.327       108.4815 2084.290       
161.0839 2404.595       146.7484 99.45794 3.857747 106.8834 3.270273 -7.425491 
5.057360 
1 1 1 8   23  8  o 104.2848 2.676000  2308.694       108.7631 2243.180       
192.5463 2339.393       131.8050 103.1192 4.447506 105.4503 2.977179 -2.331078 
5.352000 
1 1 1 8   23  9  o 215.5645 3.525906  9840.681       316.5251 9594.853       
475.6259 10036.10       424.0662 213.0514 5.317435 218.0777 4.631733 -5.026276 
7.051813 
1 1 1 8   23  10 o 47.51036 4.722517  497.3874       81.31592 459.7572       
152.1383 512.4366       96.21172 45.74416 8.220745 49.27657 4.650595 -3.532413 
9.445035 
1 1 1 8   23  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   23  12 o 141.4914 3.634399  4207.507       214.6161 4032.707       
285.9424 4433.015       324.7796 138.1818 4.928887 144.8010 5.342424 -6.619217 
7.268798 
1 1 1 8   23  13 o 56.23256 3.274179  669.0923       76.24560 817.3118       
110.1211 532.6085       105.6716 62.25604 4.213180 50.20908 5.012994 12.04696 
6.548358 
1 1 1 8   23  14 o 157.7362 3.562465  5244.859       234.5143 5143.707       
313.6133 5373.171       353.2138 156.0661 4.786376 159.4062 5.277805 -3.340088 
7.124929 
1 1 1 8   23  15 o 165.4716 5.292689  5791.072       367.6875 0.000000       
0.000000 5791.072       367.6875 ?        ?        165.4716 5.292689 ? ? 
1 1 1 8   23  16 f 55.26384 5.144915  645.7571       119.3708 645.7571       
119.3708 0.000000       0.000000 55.26384 5.144915 ?        ?        ? ? 
1 1 1 8   23  17 o 100.4007 2.744472  2085.897       111.1763 1990.839       
137.7829 2263.274       188.2127 97.23302 3.375224 103.5684 4.328554 -6.335342 
5.488945 
1 1 1 8   23  18 o 89.34973 2.069859  1678.070       77.58942 1637.551       
107.2922 1722.489       112.3376 88.22237 2.896746 90.47710 2.957384 -2.254723 
4.139717 
1 1 1 8   23  19 o 154.4228 2.059882  5002.841       131.5216 5098.991       
205.5040 4936.137       171.1677 155.6467 3.144860 153.1988 2.661261 2.447937 
4.119764 
1 1 1 8   23  20 o 147.1821 2.185197  4471.099       130.9178 4221.081       
163.9933 4910.409       217.3830 141.6575 2.757449 152.7066 3.390696 -11.04907 
4.370394 
1 1 1 8   23  21 o 25.92498 4.450989  143.9216       53.79449 51.10114       
76.49197 234.7544       75.66851 18.54488 7.068225 33.30509 5.411600 -14.76021 
8.901978 
1 1 1 8   23  22 o 81.06657 2.162343  1387.068       73.37513 1277.532       
104.5436 1493.413       103.0096 77.89342 3.196817 84.23973 2.912607 -6.346306 
4.324687 
1 1 1 8   23  23 o 83.49554 2.170570  1465.733       76.02101 1387.317       
105.3137 1551.048       109.8496 81.16570 3.090532 85.82539 3.048624 -4.659698 
4.341140 
1 1 1 8   23  24 o 98.76093 2.128099  2053.431       88.14603 2028.816       
121.5932 2080.694       127.9654 98.14420 2.950977 99.37767 3.067077 -1.233475 
4.256198 
1 1 1 8   23  25 o 88.70618 2.093445  1656.500       77.87067 1694.376       
113.4189 1622.725       107.1038 89.65806 3.013125 87.75430 2.907083 1.903755 
4.186891 
1 1 1 8   23  26 o 98.61088 2.277424  2053.055       94.24586 1988.896       
133.5085 2116.783       133.0602 97.06546 3.276161 100.1563 3.164397 -3.090836 
4.554848 
1 1 1 8   23  27 o 41.83541 3.581177  374.9209       62.54367 336.7189       
89.71371 411.0438       87.23843 39.71076 5.381108 43.96006 4.726838 -4.249302 
7.162354 
1 1 1 8   23  28 o 42.71440 3.448267  390.2750       61.65853 368.6244       
88.90302 410.3412       85.58808 41.53815 5.097889 43.89065 4.644750 -2.352493 
6.896533 
1 1 1 8   23  29 o 45.26377 5.120591  445.8326       92.79102 606.1479       
141.0682 323.5709       123.1932 52.88608 6.353438 37.64147 8.032163 15.24461 
10.24118 
1 1 1 8   23  30 f 94.60957 3.521894  1921.655       139.8041 1870.277       
193.5788 1977.670       202.1237 93.30624 4.941606 95.91290 5.019511 -2.606659 
7.043788 
1 1 1 8   23  31 o 49.64484 4.796714  543.5349       99.70208 600.8250       
144.1219 490.9532       138.0727 52.22481 6.573158 47.06487 6.987664 5.159946 
9.593428 
1 1 1 8   23  32 o 78.18060 3.624113  1326.496       118.8654 1385.296       
172.0708 1272.825       164.3941 79.83078 5.134023 76.53043 5.116502 3.300346 
7.248226 
1 1 1 8   23  33 o 18.70372 5.767123  -33.42065      91.76119 -149.0484      
132.3474 73.61878       127.3374 15.33437 7.331496 22.07308 8.904382 -6.738709 
11.53425 
1 1 1 8   23  34 o 31.31261 5.965769  239.2621       80.90475 197.0369       
111.5588 286.1093       117.5059 28.39137 8.611245 34.23384 8.258816 -5.842466 
11.93154 
1 1 1 8   23  35 o 69.96120 3.552174  1085.279       103.9695 1024.861       
150.3414 1140.659       143.9377 67.90939 5.273146 72.01300 4.760851 -4.103615 
7.104349 
1 1 1 8   23  36 o 43.23228 5.241768  448.7825       92.81959 444.8636       
135.5844 452.2391       127.3369 42.51654 7.891483 43.94802 6.901379 -1.431484 
10.48354 
1 1 1 8   23  37 f 29.69920 6.363179  237.8731       90.28770 160.0774       
132.5210 305.2679       123.3445 25.24567 9.379837 34.15273 8.601096 -8.907057 
12.72636 
1 1 1 8   23  38 o 58.17342 4.140298  789.9949       100.7653 885.2112       
148.2076 708.1452       137.4115 61.53902 5.736418 54.80783 5.971748 6.731190 
8.280596 
1 1 1 8   23  39 o 18.50896 5.777556  36.19710       87.78816 52.89593       
129.5934 22.03573       119.3417 19.26532 8.430563 17.75260 7.902293 1.512718 
11.55511 
1 1 1 8   24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   24  1  o 36.01102 4.017923  273.4310       60.74575 0.000000       
0.000000 273.4310       60.74575 ?        ?        36.01102 4.017923 ? ? 
1 1 1 8   24  2  o 131.3068 2.369929  3707.991       122.6815 3396.581       
209.0831 3871.499       151.5033 126.9386 3.923251 135.6750 2.659766 -8.736343 
4.739858 
1 1 1 8   24  3  o 38.13144 2.890012  297.2242       45.23047 351.0091       
74.04216 265.2047       57.12885 40.78910 4.323704 35.47377 3.835917 5.315334 
5.780024 
1 1 1 8   24  4  o 105.5103 2.266305  2318.204       85.39943 2391.470       
176.6203 2295.849       97.56217 106.5108 3.949735 104.5098 2.223543 2.001045 
4.532609 
1 1 1 8   24  5  o 125.4663 2.528743  3278.294       121.4304 3407.829       
225.7813 3225.577       144.0356 127.1030 4.231101 123.8297 2.770552 3.273300 
5.057487 
1 1 1 8   24  6  o 137.1547 2.982556  3862.168       140.3408 4154.094       
310.0820 3786.965       157.3826 140.1395 5.270320 134.1700 2.793974 5.969543 
5.965113 
1 1 1 8   24  7  o 35.60199 3.997725  239.0589       54.80732 416.3815       
98.13987 158.6905       66.07028 44.36785 5.268635 26.83612 6.014042 17.53173 
7.995450 
1 1 1 8   24  8  o 55.65218 2.849521  602.7444       63.15388 819.5341       
113.5071 505.5433       76.00449 62.32177 4.338147 48.98259 3.695886 13.33918 
5.699043 
1 1 1 8   24  9  o 181.7782 3.580864  7017.736       265.6564 6842.402       
426.3610 7129.001       339.6449 179.7585 5.649488 183.7979 4.401551 -4.039368 
7.161729 
1 1 1 8   24  10 o 69.71950 3.506449  1063.559       93.30099 937.0620       
166.7130 1121.247       112.5833 66.48911 5.972278 72.94990 3.675955 -6.460793 
7.012898 
1 1 1 8   24  11 o 85.03906 4.981491  1528.368       177.8512 1528.368       
177.8512 0.000000       0.000000 85.03906 4.981491 ?        ?        ? ? 
1 1 1 8   24  12 o 59.76335 3.137405  754.1512       78.53742 759.0567       
107.6665 748.5728       114.8152 59.98263 4.275394 59.54407 4.592847 0.4385643 
6.274810 
1 1 1 8   24  13 o 129.8236 3.037089  3559.554       164.5436 3589.960       
221.4625 3522.086       245.8418 130.4805 4.042737 129.1667 4.533422 1.313812 
6.074178 
1 1 1 8   24  14 o 107.4394 3.009690  2433.930       135.6744 2469.766       
195.8875 2400.889       188.0948 108.1920 4.312536 106.6867 4.199401 1.505241 
6.019380 
1 1 1 8   24  15 o 116.4224 2.880075  2849.813       140.3069 2761.822       
189.6645 2956.169       208.5212 114.4594 3.946897 118.3855 4.195394 -3.926163 
5.760149 
1 1 1 8   24  16 o 111.6891 2.993939  2626.045       140.2441 2509.780       
193.1409 2755.716       203.9722 109.0815 4.217397 114.2967 4.250678 -5.215279 
5.987879 
1 1 1 8   24  17 o 109.3112 6.211657  2534.358       285.0696 0.000000       
0.000000 2534.358       285.0696 ?        ?        109.3112 6.211657 ? ? 
1 1 1 8   24  18 o 43.61242 4.357464  403.3965       79.77650 396.2408       
112.7519 410.5696       112.8902 43.22141 6.213641 44.00343 6.110699 
-0.7820168     8.714929 
1 1 1 8   24  19 o 112.4390 2.549815  2515.775       104.6281 2377.810       
119.6005 2965.645       215.9683 106.3250 2.679283 118.5531 4.339086 -12.22803 
5.099630 
1 1 1 8   24  20 o 109.3791 1.840738  2515.187       84.51031 2452.093       
118.1477 2581.290       120.9322 107.9748 2.606297 110.7833 2.600092 -2.808502 
3.681476 
1 1 1 8   24  21 o 203.5940 2.125626  8696.875       180.1702 8939.318       
274.7227 8513.899       238.6637 206.0431 3.175833 201.1450 2.826170 4.898056 
4.251253 
1 1 1 8   24  22 o 80.38022 2.175292  1361.131       73.38154 1325.957       
104.1475 1395.809       103.4107 79.34435 3.126468 81.41608 3.025356 -2.071739 
4.350584 
1 1 1 8   24  23 f 75.33729 2.284903  1192.921       72.16769 1122.117       
99.10857 1272.838       105.2930 72.96397 3.235369 77.71061 3.227308 -4.746643 
4.569806 
1 1 1 8   24  24 o 148.4431 2.058263  4605.205       126.4586 4428.520       
164.1496 4863.164       198.3425 145.0093 2.696281 151.8770 3.110605 -6.867661 
4.116527 
1 1 1 8   24  25 f 71.12730 2.387437  1068.084       71.28802 1079.794       
101.5560 1056.709       100.0929 71.51082 3.382633 70.74377 3.370048 0.7670441 
4.774875 
1 1 1 8   24  26 o 55.23824 2.828264  646.4778       65.57549 644.6992       
93.65993 648.1879       91.84229 55.15801 4.044513 55.31846 3.954519 
-0.1604500     5.656528 
1 1 1 8   24  27 o 52.71046 2.929518  590.3694       64.52355 665.2964       
92.31040 518.7888       90.22549 56.01393 3.925325 49.40698 4.349727 6.606953 
5.859036 
1 1 1 8   24  28 o 25.30497 5.383326  120.1622       65.13918 230.8700       
105.1811 51.28410       82.96394 31.80746 7.901778 18.80248 7.313186 13.00499 
10.76665 
1 1 1 8   24  29 o 88.28837 3.217741  1641.791       117.9914 1835.092       
183.9169 1506.581       153.8182 92.57322 4.732139 84.00352 4.361454 8.569702 
6.435481 
1 1 1 8   24  30 o 110.7748 3.028135  2622.240       140.7091 2481.728       
195.1223 2774.480       203.1031 107.6706 4.316490 113.8789 4.248095 -6.208321 
6.056269 
1 1 1 8   24  31 f 25.06794 6.328680  116.5983       88.25722 207.1363       
130.8619 41.05532       119.5349 29.67315 9.390791 20.46273 8.486566 9.210413 
12.65736 
1 1 1 8   24  32 o 54.34104 4.444989  654.8251       101.3040 697.3611       
145.8078 615.1316       140.8518 56.08905 6.191897 52.59303 6.379038 3.496029 
8.889978 
1 1 1 8   24  33 o 39.53518 6.130865  379.6017       99.27770 455.1965       
143.8779 310.8989       137.1625 43.67260 8.150084 35.39776 9.161121 8.274837 
12.26173 
1 1 1 8   24  34 o 19.74218 5.892454  37.56702       83.50693 39.60820       
124.1481 35.88041       112.8517 20.15044 8.517849 19.33393 8.144341 0.8165112 
11.78491 
1 1 1 8   24  35 o 43.87119 5.738232  469.6170       102.6851 452.5299       
152.6067 483.7542       138.8092 42.34279 8.869761 45.39958 7.282619 -3.056786 
11.47646 
1 1 1 8   24  36 o 42.16241 5.854255  451.4018       100.5565 354.8302       
145.9701 538.6224       138.7231 36.49545 9.453237 47.82937 6.908366 -11.33392 
11.70851 
1 1 1 8   24  37 o 40.21329 6.481653  435.2685       107.1789 408.8657       
152.9306 460.7548       150.2527 38.63781 9.484984 41.78878 8.836423 -3.150963 
12.96331 
1 1 1 8   24  38 o 33.33327 6.775245  329.5539       101.0497 283.5916       
145.8014 372.0382       140.1763 30.55382 9.935681 36.11272 9.214012 -5.558899 
13.55049 
1 1 1 8   24  39 o 40.00825 8.643078  587.9642       156.1509 638.9736       
259.4571 558.9955       195.5263 39.06506 13.25408 40.95144 11.09687 -1.886387 
17.28616 
1 1 1 8   25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   25  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   25  2  o 108.5101 2.031439  2510.433       91.19462 2231.368       
136.2634 2736.828       122.7326 102.9488 3.152673 114.0713 2.562740 -11.12246 
4.062879 
1 1 1 8   25  3  o 19.42803 4.550705  76.17059       42.00496 70.10544       
72.19936 79.27396       51.64513 19.56663 6.963266 19.28944 5.860767 0.2771854 
9.101410 
1 1 1 8   25  4  o 81.79527 2.180552  1397.111       71.69809 1446.038       
121.1775 1370.757       88.93621 82.85894 3.483403 80.73159 2.623954 2.127350 
4.361104 
1 1 1 8   25  5  o 120.0152 2.421816  3088.434       100.8081 2935.078       
212.8387 3132.786       114.4609 117.9498 4.298080 122.0806 2.233220 -4.130806 
4.843632 
1 1 1 8   25  6  f 108.3379 2.482194  2457.802       109.2168 2527.690       
179.9174 2417.021       137.4362 109.5068 3.913391 107.1690 3.054590 2.337807 
4.964388 
1 1 1 8   25  7  o 56.41455 2.941805  699.4342       65.63784 577.0811       
107.4681 772.2324       82.89581 52.26312 4.897849 60.56599 3.260054 -8.302868 
5.883611 
1 1 1 8   25  8  o 213.7566 3.444713  9683.385       306.9078 9377.708       
458.4039 9931.720       413.1771 210.5995 5.184563 216.9137 4.537015 -6.314240 
6.889427 
1 1 1 8   25  9  o 213.3303 4.254570  9838.438       362.8873 8979.924       
599.6140 10334.62       455.8471 205.4955 6.950090 221.1650 4.909348 -15.66949 
8.509139 
1 1 1 8   25  10 o 194.2317 5.305815  8099.811       402.5091 7870.804       
708.6656 8208.873       489.0509 191.6407 8.807947 196.8227 5.918341 -5.182022 
10.61163 
1 1 1 8   25  11 o 56.58316 3.083611  672.9742       73.11417 629.0735       
99.88596 723.6442       107.3110 54.60307 4.357209 58.56325 4.364555 -3.960175 
6.167221 
1 1 1 8   25  12 o 39.23755 4.285406  326.2557       70.56049 312.2575       
98.80775 340.8233       100.7972 38.37439 6.132967 40.10072 5.987113 -1.726326 
8.570811 
1 1 1 8   25  13 o 87.41095 2.805334  1609.608       102.9111 1551.784       
143.5589 1670.736       147.6019 85.79541 3.985541 89.02650 3.949059 -3.231087 
5.610668 
1 1 1 8   25  14 o 78.31031 2.956005  1291.998       97.12669 1354.452       
139.7954 1233.718       135.0436 80.14007 4.154935 76.48055 4.205755 3.659515 
5.912010 
1 1 1 8   25  15 o 102.4821 3.048126  2217.438       131.0409 2131.388       
186.2813 2301.734       184.3731 100.4999 4.414939 104.4644 4.203880 -3.964470 
6.096252 
1 1 1 8   25  16 o 118.4035 3.291408  2938.556       162.2033 3119.832       
249.0504 2805.021       213.7541 121.5166 4.881718 115.2903 4.416140 6.226334 
6.582816 
1 1 1 8   25  17 o 18.48609 5.488997  -12.90829      76.80769 65.88609       
108.5645 -91.87123      108.6806 21.66732 8.378457 15.30486 7.093507 6.362461 
10.97799 
1 1 1 8   25  18 o 156.4236 3.572236  5183.037       234.0950 4993.827       
338.3359 5356.802       324.2346 153.6359 5.245376 159.2113 4.850723 -5.575470 
7.144472 
1 1 1 8   25  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   25  20 o 29.88894 6.119664  193.1005       82.37885 246.1622       
119.8308 145.5520       113.4347 33.22602 8.543877 26.55186 8.763749 6.674162 
12.23933 
1 1 1 8   25  21 o 83.44186 2.192270  1461.319       76.32293 1421.276       
101.7957 1512.729       115.3431 82.15465 2.951335 84.72906 3.242501 -2.574417 
4.384541 
1 1 1 8   25  22 f 122.9169 2.089494  3186.705       107.6521 3265.651       
149.2119 3101.002       155.4667 124.5212 2.854181 121.3127 3.052474 3.208435 
4.178988 
1 1 1 8   25  23 o 185.4399 2.023636  7243.889       157.4760 7307.562       
226.5879 7184.402       219.0144 186.2190 2.898237 184.6608 2.825003 1.558182 
4.047273 
1 1 1 8   25  24 o 55.71503 2.715364  656.2197       63.47585 689.6485       
90.86285 624.3543       88.71259 57.10564 3.789906 54.32442 3.889656 2.781219 
5.430728 
1 1 1 8   25  25 o 39.13581 3.601340  326.9577       59.00727 300.0501       
83.62193 353.6437       83.27692 37.50370 5.310889 40.76792 4.865497 -3.264221 
7.202680 
1 1 1 8   25  26 o 38.45129 3.772846  318.1585       60.45983 280.9425       
86.82729 353.1877       84.23773 36.20308 5.712574 40.69950 4.929906 -4.496418 
7.545692 
1 1 1 8   25  27 o 29.42608 4.862030  195.5975       59.12431 213.9798       
83.35165 176.9816       83.87967 30.86755 6.622853 27.98461 7.120052 2.882940 
9.724059 
1 1 1 8   25  28 o 40.81869 4.859250  351.4451       76.37271 422.4680       
137.4833 319.7467       91.84788 43.13938 7.883943 38.49800 5.682665 4.641380 
9.718500 
1 1 1 8   25  29 o 57.02021 3.947317  705.5026       93.66026 690.8565       
141.2299 717.0010       125.1367 56.36686 5.967933 57.67356 5.168077 -1.306709 
7.894634 
1 1 1 8   25  30 o 53.75158 4.267768  621.1513       95.36819 752.3884       
145.8107 523.0382       126.0738 58.66585 5.920047 48.83731 6.148854 9.828541 
8.535536 
1 1 1 8   25  31 o 53.31932 3.640172  618.4677       81.48305 610.6646       
114.8934 626.3643       115.5785 52.97442 5.165946 53.66422 5.129953 
-0.6898041     7.280344 
1 1 1 8   25  32 o 73.02371 3.772317  1176.522       114.7694 1029.670       
163.8153 1318.091       160.8424 68.29011 5.713704 77.75732 4.926974 -9.467209 
7.544633 
1 1 1 8   25  33 o 43.50143 5.395508  441.1209       96.26991 491.8240       
142.4551 398.5009       130.6075 46.19079 7.345878 40.81208 7.904689 5.378708 
10.79102 
1 1 1 8   25  34 f 93.46786 2.933325  1887.420       114.7309 2059.739       
170.7591 1745.614       154.9049 97.30776 4.179819 89.62798 4.116637 7.679787 
5.866650 
1 1 1 8   25  35 o 59.54778 4.260373  807.7826       106.3502 815.4921       
154.8938 800.9068       146.2794 59.69352 6.180562 59.40204 5.865472 0.2914848 
8.520745 
1 1 1 8   25  36 o 31.09464 6.609490  259.3944       98.59708 162.9802       
140.1014 354.0020       138.7826 25.59951 9.617846 36.58977 9.068542 -10.99026 
13.21898 
1 1 1 8   25  37 o 18.57561 5.861949  -4.869853      96.56861 -82.96635      
140.2839 65.46846       133.1337 16.53654 7.778463 20.61468 8.771848 -4.078136 
11.72390 
1 1 1 8   25  38 o 21.36295 6.375814  90.86125       99.78037 148.8862       
143.9649 37.22005       138.4199 23.51358 9.475169 19.21232 8.533768 4.301258 
12.75163 
1 1 1 8   26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   26  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   26  2  o 95.88788 2.183189  1940.532       80.63494 1928.208       
146.6421 1945.873       96.54030 95.60034 3.653594 96.17542 2.390923 
-0.5750732     4.366379 
1 1 1 8   26  3  o 33.95956 4.281378  311.0571       50.25198 135.6395       
92.59666 384.2897       59.82890 25.21487 7.885745 42.70425 3.337036 -17.48938 
8.562756 
1 1 1 8   26  4  o 61.31673 2.583120  824.2076       61.73015 702.1721       
105.1832 888.3242       76.24089 57.66236 4.344854 64.97112 2.795044 -7.308758 
5.166239 
1 1 1 8   26  5  o 40.90904 3.360881  354.9924       54.82528 349.5601       
93.10146 357.8762       67.83435 40.62424 5.458739 41.19385 3.922278 
-0.5696106     6.721763 
1 1 1 8   26  6  o 92.12238 2.250848  1772.507       78.72139 1820.148       
147.9633 1753.697       92.97176 92.92182 3.792778 91.32294 2.424891 1.598885 
4.501696 
1 1 1 8   26  7  o 180.1352 2.831308  6830.163       177.3529 6865.210       
378.3646 6820.293       200.7757 180.2009 5.001204 180.0695 2.655780 0.1314087 
5.662615 
1 1 1 8   26  8  o 64.29789 2.839885  851.3596       70.54256 923.8404       
130.3014 821.3082       83.90154 66.13539 4.692844 62.46038 3.199531 3.675007 
5.679770 
1 1 1 8   26  9  o 188.2100 3.443491  7608.089       256.5670 7103.290       
435.8363 7875.794       317.3889 183.1346 5.668579 193.2855 3.911231 -10.15097 
6.886981 
1 1 1 8   26  10 o 116.1672 6.016453  2861.231       293.4289 0.000000       
0.000000 2861.231       293.4289 ?        ?        116.1672 6.016453 ? ? 
1 1 1 8   26  11 o 128.9496 2.966737  3514.513       159.8768 3587.264       
217.2924 3428.642       236.0732 130.4405 3.967832 127.4586 4.411623 2.981842 
5.933474 
1 1 1 8   26  12 o 201.8613 4.561478  8603.705       382.2344 8971.462       
591.4126 8339.889       500.9119 205.3945 6.858400 198.3280 6.015869 7.066498 
9.122956 
1 1 1 8   26  13 o 24.44008 5.328083  117.3494       66.13314 198.7175       
92.95518 33.95020       94.10825 29.94987 7.421071 18.93029 7.647326 11.01958 
10.65617 
1 1 1 8   26  14 o 146.5723 3.237979  4520.176       198.1983 4386.514       
265.2838 4689.043       298.1808 144.1648 4.383009 148.9797 4.767313 -4.814880 
6.475959 
1 1 1 8   26  15 o 138.4027 3.187685  4046.355       185.1213 4110.181       
258.8214 3979.503       264.8861 139.5366 4.418076 137.2689 4.596298 2.267700 
6.375370 
1 1 1 8   26  16 o 120.8341 2.949954  3081.074       149.6196 3066.307       
213.5505 3095.313       209.6904 120.5425 4.219699 121.1256 4.123476 
-0.5831223     5.899908 
1 1 1 8   26  17 o 156.5005 3.393061  5163.636       222.1325 5018.657       
299.8810 5339.898       330.6544 154.1103 4.634878 158.8907 4.956748 -4.780457 
6.786121 
1 1 1 8   26  18 f 90.28292 3.138716  1713.589       118.5326 1818.679       
177.0604 1628.244       159.5625 92.76455 4.546325 87.80129 4.328636 4.963257 
6.277432 
1 1 1 8   26  19 o 97.22627 3.021229  1988.572       123.0472 1859.598       
167.4487 2139.966       181.4198 93.81746 4.251276 100.6351 4.293944 -6.817619 
6.042459 
1 1 1 8   26  20 o 75.83189 3.425379  1221.777       108.7287 1142.735       
156.1899 1296.094       151.4508 73.41268 5.067608 78.25109 4.610014 -4.838409 
6.850758 
1 1 1 8   26  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   26  22 o 150.3500 3.534317  4794.305       222.6131 4921.876       
327.4023 4684.616       303.5896 152.1609 5.125069 148.5390 4.868188 3.621826 
7.068635 
1 1 1 8   26  23 f 97.07225 2.124584  1989.199       86.45754 1860.378       
122.0378 2119.003       122.5024 93.90015 3.095630 100.2443 2.910756 -6.344185 
4.249168 
1 1 1 8   26  24 o 82.83455 2.305642  1446.662       80.10708 1528.939       
116.0906 1371.875       110.6800 85.08040 3.250039 80.58871 3.271268 4.491692 
4.611284 
1 1 1 8   26  25 o 62.93979 2.590573  839.6893       68.38318 811.0311       
97.77922 867.1256       95.67204 61.87238 3.764184 64.00719 3.560224 -2.134819 
5.181147 
1 1 1 8   26  26 o 40.52970 3.602100  355.0953       59.95185 444.2623       
85.55630 269.0739       84.03364 45.67087 4.462043 35.38853 5.656030 10.28234 
7.204200 
1 1 1 8   26  27 o 65.44639 2.581498  907.6486       70.70226 810.7732       
97.89536 1013.274       102.2210 61.77726 3.774457 69.11551 3.522783 -7.338245 
5.162996 
1 1 1 8   26  28 o 57.18228 3.812277  698.2652       91.02150 791.6522       
137.3644 625.1643       121.5324 60.55008 5.403565 53.81447 5.379154 6.735611 
7.624553 
1 1 1 8   26  29 o 107.9104 2.956741  2478.003       129.9437 2555.282       
212.4749 2431.830       164.2386 109.0009 4.642997 106.8198 3.662220 2.181137 
5.913483 
1 1 1 8   26  30 o 32.36040 6.181108  245.1393       86.23711 304.8039       
130.3080 198.6444       115.0311 35.70042 8.750121 29.02038 8.732684 6.680038 
12.36222 
1 1 1 8   26  31 o 18.82641 5.807970  0.8333789      85.85470 3.374690       
129.6787 -1.149788      114.5564 19.42902 8.468307 18.22380 7.950966 1.205212 
11.61594 
1 1 1 8   26  32 o 68.83862 3.662457  1031.195       105.3504 1149.655       
158.4422 937.3188       141.0463 72.32711 5.217840 65.35012 5.140868 6.976990 
7.324915 
1 1 1 8   26  33 o 34.77941 6.270725  307.9528       93.46456 235.9904       
136.7697 371.0035       128.0213 30.47464 9.594471 39.08418 8.076764 -8.609547 
12.54145 
1 1 1 8   26  34 o 23.89724 5.986109  75.22471       86.81172 264.9071       
136.0985 -54.88891      112.7201 31.89257 9.478978 15.90190 7.313204 15.99067 
11.97222 
1 1 1 8   26  35 o 56.95679 4.346701  745.4153       103.6266 674.9714       
144.6646 819.6556       148.5114 54.00227 6.380742 59.91131 5.904351 -5.909042 
8.693401 
1 1 1 8   26  36 o 35.54657 6.043587  340.8305       101.6366 145.3363       
146.5344 522.0721       141.0917 24.61756 9.685688 46.47558 7.230991 -21.85802 
12.08717 
1 1 1 8   26  37 o 45.00127 5.675096  527.1845       104.0462 504.5454       
153.4427 546.4534       141.5615 43.11894 8.780835 46.88361 7.191925 -3.764668 
11.35019 
1 1 1 8   26  38 o 23.67843 6.333958  155.4747       90.23837 89.97617       
132.9174 211.4750       122.9028 20.72580 8.789897 26.63107 9.122160 -5.905266 
12.66792 
1 1 1 8   27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   27  2  o 87.99838 2.193374  1654.334       75.06595 1576.262       
132.6926 1691.079       91.03294 86.37070 3.659327 89.62606 2.419276 -3.255356 
4.386749 
1 1 1 8   27  3  o 45.42622 2.951774  453.9976       52.44486 384.9618       
88.56580 491.2770       65.08239 42.58797 4.953364 48.26447 3.211863 -5.676502 
5.903548 
1 1 1 8   27  4  o 58.80226 2.965265  752.6521       65.04551 683.4246       
121.7174 780.3250       76.95570 56.75011 5.108660 60.85440 3.012103 -4.104290 
5.930529 
1 1 1 8   27  5  o 85.58461 2.538597  1560.576       83.10895 1507.844       
151.8302 1583.135       99.30766 84.45180 4.282233 86.71743 2.727705 -2.265633 
5.077193 
1 1 1 8   27  6  o 174.8301 3.336605  6467.686       217.7267 6470.818       
417.6721 6466.517       255.1340 174.5336 5.700037 175.1267 3.470060 
-0.5931549     6.673211 
1 1 1 8   27  7  o 65.06300 2.688689  850.0561       66.96397 998.2805       
127.7836 793.9400       78.62460 68.72625 4.428673 61.39974 3.050092 7.326508 
5.377379 
1 1 1 8   27  8  o 18.45999 4.712712  -16.53310      51.54309 152.6395       
96.80444 -83.46957      60.89222 26.55547 8.015060 10.36452 4.959581 16.19096 
9.425425 
1 1 1 8   27  9  o 78.21567 3.211950  1308.216       101.6994 1232.194       
164.9691 1354.818       129.1627 76.28635 5.150827 80.14498 3.838680 -3.858635 
6.423899 
1 1 1 8   27  10 o 33.19703 8.627789  245.6295       121.3314 245.6295       
121.3314 0.000000       0.000000 33.19703 8.627789 ?        ?        ? ? 
1 1 1 8   27  11 o 177.8483 3.690378  6641.727       272.7314 7072.300       
421.8569 6332.529       357.4874 182.6750 5.500561 173.0215 4.921320 9.653488 
7.380756 
1 1 1 8   27  12 o 19.09583 5.411155  33.27154       67.37409 -2.946277      
95.65259 68.93251       94.91441 17.26025 7.392589 20.93139 7.903924 -3.671141 
10.82231 
1 1 1 8   27  13 o 151.4332 3.438306  4848.953       218.5156 4793.626       
304.2227 4907.920       314.0679 150.5527 4.813093 152.3136 4.911407 -1.760895 
6.876611 
1 1 1 8   27  14 o 44.10828 4.152804  412.4368       76.82882 438.2241       
110.9047 388.6429       106.5319 45.43687 5.813832 42.77968 5.931483 2.657196 
8.305608 
1 1 1 8   27  15 o 91.74203 2.881328  1774.999       110.7831 1927.140       
159.3392 1632.640       154.1322 95.55640 3.971770 87.92765 4.175313 7.628754 
5.762655 
1 1 1 8   27  16 o 61.08398 3.394026  791.5517       86.79047 855.0510       
122.2422 727.0068       123.2445 63.58250 4.579358 58.58548 5.010702 4.997021 
6.788052 
1 1 1 8   27  17 o 61.52278 3.358067  807.4338       86.01752 703.8865       
123.4798 905.0540       119.8937 57.62096 5.104305 65.42461 4.364920 -7.803646 
6.716135 
1 1 1 8   27  18 o 49.43170 4.185308  523.6177       86.26541 468.2699       
124.4280 574.8430       119.7045 46.85060 6.325927 52.01281 5.481774 -5.162212 
8.370615 
1 1 1 8   27  19 o 93.63550 3.129193  1838.811       122.4072 2045.821       
184.4831 1675.994       163.6103 98.29103 4.470578 88.97997 4.379650 9.311058 
6.258387 
1 1 1 8   27  20 o 38.47548 5.522162  331.3516       86.04684 317.9274       
125.3362 343.3195       118.3421 37.62812 8.163198 39.32285 7.439039 -1.694725 
11.04432 
1 1 1 8   27  21 o 50.37483 4.139068  540.7554       87.07185 621.7144       
126.5231 467.9155       120.0112 53.98746 5.582106 46.76220 6.112907 7.225266 
8.278136 
1 1 1 8   27  22 o 130.3321 3.375771  3588.256       183.7090 3824.743       
277.6620 3404.134       245.0003 134.0714 4.932887 126.5928 4.609766 7.478676 
6.751542 
1 1 1 8   27  23 o 40.71618 7.584577  370.7146       124.8180 370.7146       
124.8180 0.000000       0.000000 40.71618 7.584577 ?        ?        ? ? 
1 1 1 8   27  24 o 49.47298 4.411836  526.5767       91.21013 597.5380       
131.6989 461.1665       126.4428 52.72966 5.949059 46.21630 6.516585 6.513359 
8.823671 
1 1 1 8   27  25 o 44.79747 3.317217  426.2392       61.90709 505.0702       
90.74033 357.5964       84.67385 48.69279 4.438710 40.90215 4.930878 7.790642 
6.634433 
1 1 1 8   27  26 o 23.93505 5.112322  127.2807       55.81662 115.5221       
79.75621 138.5681       78.14178 23.03785 7.335361 24.83226 7.122910 -1.794409 
10.22464 
1 1 1 8   27  27 o 78.70691 2.523553  1308.976       81.36185 1351.105       
131.0985 1282.584       103.7627 79.63063 3.921376 77.78320 3.177435 1.847435 
5.047106 
1 1 1 8   27  28 o 100.1939 3.079516  2145.421       128.4737 2204.772       
195.6733 2100.448       170.3302 101.2864 4.601521 99.10143 4.093858 2.184990 
6.159031 
1 1 1 8   27  29 o 75.71168 3.345849  1239.728       105.7524 1218.688       
157.2988 1257.082       142.8553 75.00359 4.995334 76.41976 4.452579 -1.416168 
6.691698 
1 1 1 8   27  30 o 21.56454 6.156752  66.99029       85.60605 58.71120       
130.1062 73.31085       113.6801 21.66842 8.905990 21.46067 8.503278 0.2077484 
12.31350 
1 1 1 8   27  31 o 50.55312 4.591348  591.4586       93.84197 471.2517       
142.2675 684.0424       124.8559 45.32339 7.476605 55.78284 5.331254 -10.45945 
9.182695 
1 1 1 8   27  32 o 71.03601 3.361127  1127.672       96.88800 994.1332       
152.2899 1218.477       125.5810 66.99627 5.414289 75.07574 3.984240 -8.079475 
6.722253 
1 1 1 8   27  33 o 29.84788 6.553046  223.8432       90.36086 261.9079       
136.2554 193.9597       120.7280 31.84051 9.488708 27.85525 9.040689 3.985260 
13.10609 
1 1 1 8   27  34 o 47.53378 5.416858  569.0728       98.52520 328.3556       
140.4533 802.2778       138.2443 35.37711 9.324036 59.69046 5.516497 -24.31335 
10.83372 
1 1 1 8   27  35 o 71.07417 3.889796  1147.429       115.9912 1107.908       
164.5756 1186.437       163.5024 69.73937 5.620934 72.40896 5.378397 -2.669586 
7.779592 
1 1 1 8   27  36 o 33.65246 6.660848  318.1774       98.63347 279.0403       
141.5698 355.0952       137.4970 31.25249 9.745904 36.05243 9.082122 -4.799936 
13.32170 
1 1 1 8   27  37 f 39.79000 6.280210  446.7093       102.7698 375.8736       
145.8850 516.4933       144.7979 35.65567 9.550983 43.92434 8.157380 -8.268673 
12.56042 
1 1 1 8   28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   28  2  o 105.4798 3.467281  2352.626       153.5456 0.000000       
0.000000 2352.626       153.5456 ?        ?        105.4798 3.467281 ? ? 
1 1 1 8   28  3  o 80.23051 2.359622  1359.645       71.89394 1359.960       
134.1226 1359.518       85.16244 80.12959 3.986851 80.33143 2.525129 
-0.2018433     4.719244 
1 1 1 8   28  4  o 90.26503 2.487871  1661.660       88.01446 1888.512       
159.8144 1562.901       105.4464 94.43979 4.030715 86.09027 2.917420 8.349518 
4.975741 
1 1 1 8   28  5  o 95.68159 2.682180  1879.289       96.04235 2061.082       
187.5565 1814.677       111.8146 98.57895 4.531783 92.78424 2.870420 5.794708 
5.364360 
1 1 1 8   28  6  o 37.22183 4.132276  315.5176       57.66607 258.1661       
98.49883 345.4261       71.13042 34.04777 7.121256 40.39589 4.194105 -6.348122 
8.264551 
1 1 1 8   28  7  o 117.7495 2.618732  2957.583       120.2502 2849.247       
212.0879 3008.909       145.9827 116.0050 4.354719 119.4939 2.909889 -3.488907 
5.237464 
1 1 1 8   28  8  o 190.7939 3.739230  7715.857       264.7304 7774.366       
513.0911 7694.631       309.0415 190.7487 6.406988 190.8392 3.857184 
-0.9040833E-01 7.478460 
1 1 1 8   28  9  o 49.95718 4.314555  499.3848       80.57191 605.5723       
160.8469 463.8143       93.09379 53.13034 7.210928 46.78403 4.739626 6.346313 
8.629110 
1 1 1 8   28  10 o 159.6881 4.660539  5401.004       312.4551 5401.004       
312.4551 0.000000       0.000000 159.6881 4.660539 ?        ?        ? ? 
1 1 1 8   28  11 o 117.7774 2.850054  2916.678       140.2949 3078.675       
210.5987 2787.427       188.1136 120.6784 4.156688 114.8765 3.900408 5.801834 
5.700109 
1 1 1 8   28  12 o 137.3780 3.106231  3985.528       177.9547 3930.447       
237.5424 4055.980       268.6507 136.3562 4.149421 138.3999 4.623527 -2.043701 
6.212463 
1 1 1 8   28  13 o 158.4750 3.123795  5306.265       207.2896 5207.849       
281.9624 5422.017       305.7886 156.9172 4.279981 160.0328 4.551278 -3.115585 
6.247589 
1 1 1 8   28  14 o 76.09556 2.832579  1209.084       89.83532 1107.123       
118.6169 1346.239       137.5730 72.39131 3.902842 79.79980 4.106318 -7.408493 
5.665159 
1 1 1 8   28  15 o 94.85709 2.951142  1901.301       117.4517 1950.833       
169.8516 1855.913       162.5899 96.03317 4.212786 93.68099 4.133931 2.352180 
5.902283 
1 1 1 8   28  16 o 100.3329 2.772844  2128.697       116.7539 2076.299       
165.9673 2180.032       164.2756 99.09798 3.989134 101.5677 3.852463 -2.469749 
5.545689 
1 1 1 8   28  17 o 87.05251 2.986547  1605.230       109.0488 1630.948       
151.7219 1577.746       156.8421 87.79256 4.116344 86.31246 4.328228 1.480095 
5.973094 
1 1 1 8   28  18 o 35.23616 5.498049  278.4011       79.09631 280.9892       
114.9316 276.0725       109.0205 35.36512 7.936606 35.10721 7.610813 0.2579117 
10.99610 
1 1 1 8   28  19 o 19.85556 5.856293  14.39942       81.94301 62.19993       
121.5204 -25.45922      110.9671 22.12086 8.783178 17.59026 7.748576 4.530596 
11.71259 
1 1 1 8   28  20 o 69.28478 3.415929  1018.907       99.26231 1079.938       
143.9131 963.5237       137.0915 71.26379 4.810081 67.30578 4.851535 3.958008 
6.831857 
1 1 1 8   28  21 o 119.8632 3.534917  3040.451       176.1524 3206.675       
271.4569 2919.542       231.5170 122.5730 5.275057 117.1535 4.707051 5.419556 
7.069834 
1 1 1 8   28  22 o 21.70908 5.944203  58.08629       81.67250 -14.98037      
118.5507 124.0927       112.6777 18.53007 8.086455 24.88810 8.714553 -6.358030 
11.88841 
1 1 1 8   28  23 o 58.19077 3.658157  724.3712       89.33104 723.0083       
128.1763 725.6582       124.5673 58.12074 5.252882 58.26080 5.092708 
-0.1400604     7.316314 
1 1 1 8   28  24 o 105.5480 4.500231  2375.784       199.4177 0.000000       
0.000000 2375.784       199.4177 ?        ?        105.5480 4.500231 ? ? 
1 1 1 8   28  25 o 48.24423 6.175899  505.0679       125.0905 505.0679       
125.0905 0.000000       0.000000 48.24423 6.175899 ?        ?        ? ? 
1 1 1 8   28  26 o 66.20279 3.590312  943.8200       99.70017 893.7316       
140.3035 994.9117       141.7016 64.39104 5.189960 68.01453 4.962427 -3.623489 
7.180624 
1 1 1 8   28  27 o 100.3457 2.878984  2160.935       120.7754 2047.163       
176.0191 2262.151       166.0232 97.73940 4.289546 102.9521 3.841092 -5.212677 
5.757967 
1 1 1 8   28  28 o 23.02043 6.199439  97.39962       82.98367 82.30416       
124.4511 109.4845       111.3517 22.60000 8.915207 23.44085 8.616918 
-0.8408432     12.39888 
1 1 1 8   28  29 o 16.78895 5.359897  -53.36544      83.04613 -133.9903      
125.5536 9.343382       110.7284 15.18656 7.226632 18.39134 7.917686 -3.204775 
10.71979 
1 1 1 8   28  30 o 96.19324 3.322495  2016.954       133.6298 1951.686       
196.0077 2073.635       182.6598 94.56190 4.937169 97.82458 4.447502 -3.262688 
6.644991 
1 1 1 8   28  31 o 69.84894 3.346514  1062.756       96.99265 1088.781       
149.6067 1043.887       127.3923 70.38553 5.062775 69.31235 4.377777 1.073181 
6.693027 
1 1 1 8   28  32 o 56.13981 4.331617  691.2888       100.3882 892.9210       
157.0023 551.8423       130.5659 62.98118 5.937673 49.29844 6.308380 13.68275 
8.663234 
1 1 1 8   28  33 o 20.98054 5.943649  33.84190       84.59882 171.9333       
134.4187 -56.73425      108.8637 26.44580 9.492141 15.51527 7.155914 10.93054 
11.88730 
1 1 1 8   28  34 o 46.36016 5.250361  509.1377       97.39771 685.1375       
147.8761 374.2869       129.4400 54.25565 6.491933 38.46468 8.253484 15.79097 
10.50072 
1 1 1 8   28  35 o 21.66489 6.268915  85.26497       93.33589 26.91305       
138.6211 133.6587       126.2398 19.68945 8.666909 23.64034 9.059905 -3.950884 
12.53783 
1 1 1 8   28  36 o 21.17383 6.319418  85.43668       96.42072 71.89716       
141.2447 97.25259       131.9484 20.82022 8.952477 21.52744 8.921511 
-0.7072182     12.63884 
1 1 1 8   28  37 o 39.38136 5.326643  406.2201       85.27476 585.9758       
126.1086 254.7827       115.7497 49.09937 6.117723 29.66336 8.721581 19.43601 
10.65329 
1 1 1 8   29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   29  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   29  3  o 25.59268 4.142975  162.8856       44.59002 72.65397       
76.69137 208.9660       54.80565 19.82537 7.164444 31.35999 4.162656 -11.53461 
8.285950 
1 1 1 8   29  4  o 54.76016 2.639834  630.6922       57.72845 650.0087       
98.82092 620.6853       71.12659 55.31771 4.255061 54.20262 3.125596 1.115093 
5.279667 
1 1 1 8   29  5  o 131.7247 2.923918  3760.238       143.0994 3507.787       
271.3390 3857.506       168.4259 128.2599 5.038978 135.1896 2.967472 -6.929672 
5.847836 
1 1 1 8   29  6  o 78.66777 2.990996  1359.048       83.21967 1225.854       
168.2658 1402.177       95.74983 75.79455 5.287849 81.54100 2.796939 -5.746452 
5.981991 
1 1 1 8   29  7  o 43.76639 4.083370  470.4853       61.25572 300.2379       
109.8674 547.2787       73.78886 36.64447 7.400480 50.88831 3.453773 -14.24384 
8.166740 
1 1 1 8   29  8  o 53.32839 3.184287  597.6752       66.73479 620.6829       
118.1631 586.8995       80.86623 53.97425 5.214542 52.68253 3.656130 1.291725 
6.368574 
1 1 1 8   29  9  o 31.06178 5.827004  208.8382       72.97576 240.8019       
131.5355 194.6248       87.71291 32.65233 9.201749 29.47122 7.151484 3.181112 
11.65401 
1 1 1 8   29  10 o 194.9753 3.776717  8097.848       306.8271 8115.116       
463.2099 8084.349       409.5634 194.9842 5.658476 194.9663 5.003601 
0.1786804E-01  7.553434 
1 1 1 8   29  11 o 62.86920 3.151825  853.9224       81.38631 668.5720       
117.1887 1026.609       113.1146 56.07584 4.977726 69.66256 3.867590 -13.58672 
6.303650 
1 1 1 8   29  12 o 71.23947 2.796574  1075.761       83.49301 1031.052       
120.0027 1117.711       116.2410 69.78162 4.096106 72.69733 3.808571 -2.915710 
5.593147 
1 1 1 8   29  13 o 192.6755 3.592669  7884.356       289.6440 8052.440       
429.3906 7744.021       392.3481 194.4655 5.259338 190.8855 4.895757 3.580017 
7.185338 
1 1 1 8   29  14 o 117.7125 2.959827  2939.570       145.9444 2865.996       
212.0543 3005.783       201.1687 116.2697 4.344116 119.1554 4.021313 -2.885635 
5.919654 
1 1 1 8   29  15 o 90.95250 2.845265  1746.194       108.2337 1811.358       
161.3795 1692.919       145.9170 92.46353 4.157182 89.44146 3.885869 3.022072 
5.690531 
1 1 1 8   29  16 o 35.99886 5.215878  284.0943       77.58459 363.7798       
113.6838 214.6255       106.1460 41.14030 6.581912 30.85741 8.093206 10.28289 
10.43176 
1 1 1 8   29  17 o 59.93265 3.479929  765.8600       87.32808 826.6438       
123.2082 704.4958       123.7950 62.36185 4.705889 57.50346 5.127791 4.858391 
6.959859 
1 1 1 8   29  18 o 112.4736 3.136578  2680.435       147.8580 2587.773       
202.0923 2787.170       216.8973 110.4086 4.359811 114.5385 4.510491 -4.129845 
6.273156 
1 1 1 8   29  19 o 57.43811 3.752418  710.6631       89.07831 566.2574       
125.4004 857.7497       126.5591 51.39870 5.811225 63.47752 4.748918 -12.07882 
7.504835 
1 1 1 8   29  20 o 142.2110 3.795387  4324.848       226.5633 4241.462       
316.8194 4412.124       324.1234 140.8127 5.359089 143.6093 5.375874 -2.796555 
7.590774 
1 1 1 8   29  21 o 111.1666 2.971290  2611.357       138.2617 2846.198       
205.1900 2416.057       187.1201 115.7105 4.223812 106.6227 4.180151 9.087791 
5.942579 
1 1 1 8   29  22 o 33.63147 5.840193  256.0823       82.49601 319.8718       
121.8816 202.1506       112.0691 37.47127 7.984490 29.79167 8.525219 7.679605 
11.68039 
1 1 1 8   29  23 o 52.44392 4.054737  594.3839       89.08974 555.1313       
126.6149 632.8732       125.3780 50.67136 5.951731 54.21649 5.508219 -3.545124 
8.109474 
1 1 1 8   29  24 o 41.15114 5.213237  383.0502       87.25255 333.1295       
126.7406 428.0253       120.2988 38.00752 8.177087 44.29475 6.468894 -6.287228 
10.42647 
1 1 1 8   29  25 o 55.79481 3.937135  671.4468       91.99682 626.8441       
124.9205 724.3038       135.9895 53.79134 5.531492 57.79828 5.604171 -4.006935 
7.874270 
1 1 1 8   29  26 o 62.32095 5.375144  842.8985       140.6381 0.000000       
0.000000 842.8985       140.6381 ?        ?        62.32095 5.375144 ? ? 
1 1 1 8   29  27 o 38.20152 8.561001  346.4730       133.8828 346.4730       
133.8828 0.000000       0.000000 38.20152 8.561001 ?        ?        ? ? 
1 1 1 8   29  28 o 36.78485 5.687323  314.7583       85.68400 237.9894       
114.5164 412.4007       129.1500 31.48722 8.474596 42.08248 7.587081 -10.59526 
11.37465 
1 1 1 8   29  29 o 53.00371 4.044920  634.1224       86.51808 565.2878       
138.1773 678.5118       110.9616 50.16408 6.560922 55.84333 4.732846 -5.679253 
8.089841 
1 1 1 8   29  30 o 19.42573 5.881880  24.10096       85.37965 12.42638       
127.7525 33.52447       114.7771 19.41486 8.433064 19.43660 8.201797 
-0.2174187E-01 11.76376 
1 1 1 8   29  31 o 55.84962 4.190830  706.9677       97.17031 645.9480       
143.9789 758.0095       131.6821 53.28598 6.435865 58.41326 5.369531 -5.127277 
8.381660 
1 1 1 8   29  32 o 24.92042 6.469819  143.4832       88.19423 160.1900       
133.5821 130.5733       117.4251 25.87330 9.445055 23.96755 8.844500 1.905750 
12.93964 
1 1 1 8   29  33 o 36.28992 6.130616  341.7827       91.97510 309.2695       
138.8391 367.2100       122.7810 34.10864 9.399342 38.47119 7.873385 -4.362545 
12.26123 
1 1 1 8   29  34 o 25.50443 6.436971  166.1125       90.81451 98.44401       
138.7449 216.8338       120.1211 22.48322 9.211497 28.52563 8.993703 -6.042412 
12.87394 
1 1 1 8   29  35 o 29.97694 5.827117  237.4848       90.69473 57.70964       
129.9012 408.4619       126.6827 20.10249 8.612624 39.85139 7.851363 -19.74890 
11.65423 
1 1 1 8   29  36 o 24.96564 6.508764  176.5637       96.22784 86.79095       
143.6132 249.7076       129.6317 21.05274 9.038960 28.87855 9.367670 -7.825815 
13.01753 
1 1 1 8   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   30  3  o 36.20171 4.492007  293.9292       57.39909 281.9823       
113.7959 298.0060       66.47508 35.02925 7.922403 37.37416 4.236513 -2.344906 
8.984014 
1 1 1 8   30  4  o 26.13058 5.047412  148.8293       52.62105 163.8641       
100.6708 143.1773       61.72454 27.00061 8.178403 25.26054 5.917704 1.740072 
10.09482 
1 1 1 8   30  5  o 19.75561 4.873393  78.25511       50.19627 37.67572       
86.73171 98.69328       61.55255 18.29134 7.361181 21.21988 6.388494 -2.928537 
9.746786 
1 1 1 8   30  6  o 139.6891 2.814610  4187.083       160.3004 3952.241       
255.4714 4339.588       205.8719 136.2155 4.467215 143.1628 3.425217 -6.947281 
5.629220 
1 1 1 8   30  7  o 106.0939 2.851875  2426.153       116.0499 2298.312       
209.7069 2482.585       139.3288 103.7946 4.812367 108.3932 3.061680 -4.598564 
5.703750 
1 1 1 8   30  8  o 224.9216 3.893597  10944.55       352.5991 10437.15       
580.4371 11241.30       443.8885 220.0684 6.282298 229.7748 4.601427 -9.706406 
7.787195 
1 1 1 8   30  9  o 139.1057 4.039028  4105.377       235.8852 0.000000       
0.000000 4105.377       235.8852 ?        ?        139.1057 4.039028 ? ? 
1 1 1 8   30  10 o 154.8090 3.445233  5084.708       219.6028 5222.042       
348.1712 4993.979       282.9930 156.3224 5.305090 153.2956 4.397107 3.026764 
6.890466 
1 1 1 8   30  11 o 120.4545 3.454425  3038.556       147.9677 3192.590       
308.5919 2992.569       168.6153 121.9368 6.027966 118.9721 3.375772 2.964752 
6.908850 
1 1 1 8   30  12 o 52.48997 3.448073  587.5720       75.87159 551.5551       
107.3857 623.4724       107.2118 50.85762 5.029347 54.12234 4.718315 -3.264721 
6.896146 
1 1 1 8   30  13 o 88.14545 2.765958  1651.847       101.6690 1597.385       
151.4158 1696.560       137.1968 86.76408 4.156735 89.52683 3.650158 -2.762756 
5.531917 
1 1 1 8   30  14 o 147.4256 3.548614  4618.661       216.9260 4738.705       
335.8853 4532.762       284.1286 148.8941 5.373219 145.9571 4.636718 2.936951 
7.097228 
1 1 1 8   30  15 o 105.0340 2.803397  2338.991       123.4447 2175.304       
172.9083 2509.153       176.2953 101.2589 4.067278 108.8091 3.859194 -7.550201 
5.606793 
1 1 1 8   30  16 f 69.41500 3.043421  1022.373       88.61902 988.5934       
122.2866 1059.733       128.6044 68.21586 4.269869 70.61414 4.337957 -2.398285 
6.086843 
1 1 1 8   30  17 f 46.67005 3.906879  466.3891       76.23012 470.7648       
113.2981 462.7698       103.0417 46.82800 5.762859 46.51210 5.276768 0.3158951 
7.813759 
1 1 1 8   30  18 o 38.98035 5.071798  340.0368       79.89572 344.6638       
113.7707 335.5348       112.2244 39.24697 7.171131 38.71375 7.174079 0.5332222 
10.14360 
1 1 1 8   30  19 o 55.81779 3.520740  667.5626       81.49713 656.9931       
124.8091 675.4189       107.6040 55.34841 5.371086 56.28718 4.553445 
-0.9387665     7.041479 
1 1 1 8   30  20 o 74.49007 3.298445  1185.177       103.1230 1221.456       
146.1548 1149.210       145.5233 75.64233 4.602239 73.33782 4.726346 2.304504 
6.596889 
1 1 1 8   30  21 o 56.55925 3.707508  686.0112       87.75634 704.4583       
130.0673 670.5970       118.8962 57.21220 5.415025 55.90631 5.065567 1.305889 
7.415016 
1 1 1 8   30  22 o 25.43631 6.047335  132.0098       81.01063 56.60501       
116.5477 202.4963       112.6827 21.21741 8.535481 29.65521 8.568933 -8.437796 
12.09467 
1 1 1 8   30  23 o 43.46551 4.918599  427.2710       85.90607 506.4553       
119.9126 343.7799       123.1304 48.26382 5.917851 38.66719 7.858085 9.596626 
9.837197 
1 1 1 8   30  24 o 29.39668 6.044808  198.8594       82.19096 268.9338       
116.6898 129.8657       115.7866 33.88195 8.265359 24.91140 8.822848 8.970545 
12.08962 
1 1 1 8   30  25 o 64.01080 3.502847  887.2212       93.99288 913.7761       
130.7589 858.8300       135.2046 65.06538 4.786768 62.95623 5.115330 2.109142 
7.005694 
1 1 1 8   30  26 o 40.54283 5.695337  385.0474       93.48748 414.5373       
134.9611 357.8441       129.6230 42.13977 7.919808 38.94588 8.186824 3.193893 
11.39067 
1 1 1 8   30  27 o 31.11617 6.315671  231.0848       90.32874 151.8080       
125.6219 315.9545       129.9777 26.06466 9.194104 36.16768 8.661366 -10.10302 
12.63134 
1 1 1 8   30  28 o 30.94771 9.230224  235.8589       128.8972 0.000000       
0.000000 235.8589       128.8972 ?        ?        30.94771 9.230224 ? ? 
1 1 1 8   30  29 o 29.89934 7.180787  215.8324       104.5228 191.2582       
130.8230 259.2073       173.8054 28.03696 9.411501 31.76171 10.84797 -3.724752 
14.36157 
1 1 1 8   30  30 o 30.84364 6.683538  242.8446       94.70843 241.2535       
134.4151 244.4134       133.4658 30.74051 9.478442 30.94677 9.425385 
-0.2062645     13.36708 
1 1 1 8   30  31 o 28.79503 6.111129  211.3147       88.29204 91.37571       
133.2360 305.2228       117.8943 22.53952 9.101781 35.05053 8.157278 -12.51101 
12.22226 
1 1 1 8   30  32 o 22.80900 6.154490  103.2734       88.19383 10.76390       
132.6481 176.5675       118.0706 19.18870 8.459840 26.42930 8.941035 -7.240601 
12.30898 
1 1 1 8   30  33 o 31.67220 5.891325  253.1882       81.47674 352.1936       
122.5495 174.7574       109.0750 37.26592 8.060982 26.07847 8.593686 11.18744 
11.78265 
1 1 1 8   30  34 o 18.56660 5.746121  -24.75816      90.31767 121.3827       
137.7223 -135.0353      119.6358 23.09350 9.283358 14.03971 6.774284 9.053794 
11.49224 
1 1 1 8   30  35 o 27.42578 6.688648  214.6317       94.23888 289.6959       
143.2905 157.4150       125.1014 30.85751 9.832839 23.99404 9.070134 6.863472 
13.37730 
1 1 1 8   30  36 o 43.85905 5.513491  514.8439       95.20264 488.0929       
153.0234 531.7369       121.6022 41.09318 9.110603 46.62491 6.212185 -5.531731 
11.02698 
1 1 1 8   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   31  3  o 136.0250 3.800714  3848.543       167.6823 4288.899       
399.7805 3754.534       184.7159 139.1647 6.842480 132.8853 3.310920 6.279465 
7.601429 
1 1 1 8   31  4  o 50.77685 3.581779  540.0735       68.90266 594.8422       
131.6800 519.4242       80.85514 52.21745 6.006552 49.33625 3.903575 2.881207 
7.163558 
1 1 1 8   31  5  o 27.43508 4.738470  198.7474       62.93858 1.491920       
116.1399 280.7631       74.88857 18.74205 8.089205 36.12811 4.937321 -17.38605 
9.476939 
1 1 1 8   31  6  o 79.44977 2.985132  1251.532       89.24467 1569.384       
177.3348 1143.728       103.2760 85.47711 4.941573 73.42243 3.350361 12.05468 
5.970264 
1 1 1 8   31  7  o 18.18116 5.008713  47.75565       56.07377 -29.03449      
105.3462 78.11295       66.23660 16.77935 7.449967 19.58298 6.696778 -2.803633 
10.01743 
1 1 1 8   31  8  o 74.94626 3.116418  1254.672       88.81928 1058.520       
157.2741 1346.527       107.6248 70.15547 5.339699 79.73705 3.214944 -9.581573 
6.232836 
1 1 1 8   31  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   31  10 o 72.29016 3.551191  1104.599       101.6363 1163.706       
177.8220 1075.922       123.8622 73.47921 5.764239 71.10110 4.149384 2.378105 
7.102383 
1 1 1 8   31  11 o 32.83650 4.708496  241.8311       62.66367 218.3745       
87.39228 266.6536       89.90058 31.10263 6.876028 34.57037 6.434281 -3.467741 
9.416991 
1 1 1 8   31  12 o 51.82296 3.428107  574.0771       74.58491 571.2360       
105.1970 576.9490       105.7633 51.69421 4.847104 51.95170 4.849045 
-0.2574844     6.856213 
1 1 1 8   31  13 o 73.74223 2.948647  1156.124       91.15892 1243.765       
130.7542 1073.238       127.1574 76.48236 4.072071 71.00209 4.265713 5.480270 
5.897293 
1 1 1 8   31  14 o 73.62302 3.021410  1161.196       92.74503 1072.683       
135.9158 1238.324       126.8732 70.90770 4.565598 76.33834 3.958660 -5.430641 
6.042820 
1 1 1 8   31  15 o 24.48831 5.826935  126.7816       71.37870 103.7811       
105.8992 145.9304       96.62631 23.27511 8.418134 25.70151 8.059015 -2.426394 
11.65387 
1 1 1 8   31  16 o 31.88524 5.171029  234.5889       75.22727 83.58253       
108.8757 372.5382       104.0623 22.24316 8.445866 41.52732 5.968710 -19.28416 
10.34206 
1 1 1 8   31  17 o 32.46309 5.430068  242.5678       78.69958 121.8428       
113.9389 352.7144       108.8326 24.63345 8.749370 40.29273 6.433590 -15.65928 
10.86014 
1 1 1 8   31  18 o 59.76668 3.378011  769.1874       84.13158 867.5870       
118.3036 668.5048       119.6682 63.74051 4.420826 55.79285 5.108827 7.947659 
6.756021 
1 1 1 8   31  19 o 38.47232 4.835215  318.8929       74.44191 476.9380       
115.6219 206.9928       97.28925 46.92125 5.869372 30.02339 7.685550 16.89786 
9.670429 
1 1 1 8   31  20 o 63.86272 3.286361  876.6348       87.84944 810.4056       
125.3270 940.6108       123.1767 61.42290 4.859990 66.30254 4.425062 -4.879646 
6.572722 
1 1 1 8   31  21 f 60.89125 3.390414  799.8147       85.99828 773.7445       
128.6456 820.8773       115.6324 59.89136 5.116251 61.89114 4.450124 -1.999786 
6.780828 
1 1 1 8   31  22 o 88.54109 2.959506  1677.543       109.9302 1698.424       
158.9633 1658.403       152.1876 89.04112 4.252334 88.04107 4.117324 1.000053 
5.919012 
1 1 1 8   31  23 o 84.17181 3.162475  1520.885       111.6436 1463.282       
153.7222 1585.185       162.4116 82.50361 4.437975 85.84003 4.506592 -3.336418 
6.324951 
1 1 1 8   31  24 o 25.03502 6.021068  116.9386       84.33156 231.2610       
121.3019 9.992514       117.3233 31.10812 8.859122 18.96191 8.156529 12.14620 
12.04214 
1 1 1 8   31  25 o 55.15343 3.824574  665.6063       88.28919 663.9962       
129.8381 666.9911       120.4134 55.00126 5.622774 55.30561 5.185930 
-0.3043594     7.649148 
1 1 1 8   31  26 o 52.50569 4.418728  613.8146       97.32269 603.1877       
134.4662 625.5057       141.0391 52.07648 6.150246 52.93490 6.346268 
-0.8584213     8.837457 
1 1 1 8   31  27 o 65.52849 3.809622  944.5214       104.7107 994.2146       
151.8696 899.4924       144.5667 67.16963 5.385414 63.88734 5.389822 3.282291 
7.619244 
1 1 1 8   31  28 o 26.06410 6.506312  158.1712       89.15073 136.7563       
126.8520 179.0714       125.3183 24.89191 9.191250 27.23629 9.211368 -2.344378 
13.01262 
1 1 1 8   31  29 o 60.57885 4.178366  825.5079       106.2662 817.7396       
150.0339 833.3278       150.5336 60.27961 5.928435 60.87809 5.889705 
-0.5984840     8.356731 
1 1 1 8   31  30 o 33.14269 9.132998  283.6480       131.0835 0.000000       
0.000000 283.6480       131.0835 ?        ?        33.14269 9.132998 ? ? 
1 1 1 8   31  31 o 17.27411 5.718491  -85.69065      103.2981 -59.99002      
133.7102 -123.7376      162.6868 17.11369 7.907389 17.43453 8.263036 
-0.3208447     11.43698 
1 1 1 8   31  32 o 33.41525 6.444696  298.0721       92.68480 295.8001       
138.2118 299.9288       124.9425 33.00716 9.474722 33.82333 8.738770 
-0.8161621     12.88939 
1 1 1 8   31  33 o 84.00969 3.526778  1602.216       123.3960 1533.483       
183.6144 1658.825       166.6351 81.92095 5.338667 86.09843 4.609910 -4.177483 
7.053555 
1 1 1 8   31  34 o 51.37370 4.460677  641.9552       94.71545 546.9577       
137.0245 728.8751       131.0696 46.99210 6.945356 55.75531 5.599339 -8.763210 
8.921354 
1 1 1 8   31  35 o 18.08469 5.554239  30.55902       83.62995 -85.25593      
139.8053 95.09338       104.3607 15.93457 7.598532 20.23482 8.103123 -4.300248 
11.10848 
1 1 1 8   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   32  3  o 29.08858 5.664802  191.5272       66.71231 0.000000       
0.000000 191.5272       66.71231 ?        ?        29.08858 5.664802 ? ? 
1 1 1 8   32  4  o 33.06367 5.120977  264.1485       63.93827 215.2733       
121.4325 282.8961       75.20783 30.02375 8.959844 36.10360 4.961736 -6.079849 
10.24195 
1 1 1 8   32  5  o 54.61274 3.682737  661.7474       72.80139 619.2112       
143.0298 676.6210       84.57710 52.91484 6.438282 56.31064 3.577531 -3.395805 
7.365474 
1 1 1 8   32  6  f 67.62614 3.457523  959.8290       91.48187 1066.764       
165.5790 912.8445       109.7543 69.94357 5.638695 65.30871 4.002871 4.634865 
6.915046 
1 1 1 8   32  7  o 63.48306 3.849086  876.5518       99.10398 869.0313       
161.9245 881.0562       125.3167 62.98453 6.123501 63.98158 4.665252 
-0.9970474     7.698171 
1 1 1 8   32  8  o 73.26019 3.424545  1117.804       91.05451 1233.864       
186.1710 1081.312       104.3924 75.22911 5.894502 71.29128 3.487817 3.937836 
6.849089 
1 1 1 8   32  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   32  10 o 70.16972 3.408650  1060.072       90.67879 1054.279       
168.9366 1062.416       107.4733 69.67622 5.775108 70.66322 3.622664 
-0.9869919     6.817300 
1 1 1 8   32  11 o 17.02931 5.007569  3.655602       62.37351 63.68189       
90.04892 -51.70477      86.47832 19.87709 7.642112 14.18153 6.473106 5.695559 
10.01514 
1 1 1 8   32  12 o 49.77459 3.569540  544.6035       72.60363 667.0103       
100.9964 413.6959       104.4445 55.85567 4.306848 43.69350 5.693638 12.16217 
7.139079 
1 1 1 8   32  13 o 121.1162 2.792365  3099.856       140.3507 2958.261       
183.2898 3300.561       218.2202 117.9131 3.702518 124.3192 4.180977 -6.406044 
5.584730 
1 1 1 8   32  14 o 48.50594 3.641508  502.8727       73.78618 578.4171       
109.5136 440.0685       99.85307 51.84394 5.031425 45.16794 5.265653 6.676003 
7.283017 
1 1 1 8   32  15 o 26.23902 5.786413  155.5656       70.85469 139.3122       
105.2769 169.0245       95.79958 25.28643 8.442741 27.19161 7.915201 -1.905174 
11.57283 
1 1 1 8   32  16 o 75.02010 3.005734  1204.251       94.48903 1188.163       
137.3798 1218.694       130.1671 74.49786 4.392384 75.54233 4.104231 -1.044472 
6.011468 
1 1 1 8   32  17 o 35.24571 5.038012  279.5901       73.24761 224.4945       
101.5333 339.3821       105.7722 31.12784 7.782216 39.36359 6.400264 -8.235748 
10.07602 
1 1 1 8   32  18 o 49.36028 3.744090  539.0513       74.87720 383.4265       
106.3248 692.1697       105.4651 41.90530 6.043475 56.81525 4.421453 -14.90994 
7.488180 
1 1 1 8   32  19 o 53.24065 3.676118  597.9331       80.79105 700.1464       
129.5042 532.8066       103.3735 56.79752 5.430948 49.68377 4.955822 7.113754 
7.352236 
1 1 1 8   32  20 o 26.64410 5.679213  160.8283       72.27618 94.14594       
103.3799 224.5851       101.0866 22.27571 8.282950 31.01249 7.772166 -8.736786 
11.35843 
1 1 1 8   32  21 f 19.51083 5.790483  29.28349       79.98882 17.05932       
119.7106 39.14338       107.5126 19.44189 8.296701 19.57977 8.079823 
-0.1378803     11.58097 
1 1 1 8   32  22 o 28.70614 6.039329  194.1236       81.11629 130.1624       
117.0956 253.1370       112.4754 24.75786 8.862082 32.65442 8.207159 -7.896557 
12.07866 
1 1 1 8   32  23 o 26.51399 6.282115  161.0983       82.36602 170.8077       
119.2582 152.2428       113.8932 27.12704 8.985888 25.90095 8.781440 1.226089 
12.56423 
1 1 1 8   32  24 o 57.73043 3.710119  724.7506       89.61979 797.9417       
133.3244 664.4194       121.0464 60.36526 5.260702 55.09560 5.233062 5.269669 
7.420237 
1 1 1 8   32  25 o 73.38274 3.476757  1173.928       106.8438 1206.629       
157.5961 1146.114       145.3462 74.24481 5.055922 72.52068 4.773785 1.724136 
6.953515 
1 1 1 8   32  26 o 66.86696 3.489512  975.3467       97.73160 1063.183       
143.8145 899.9758       133.2195 69.66125 4.917364 64.07265 4.952405 5.588600 
6.979024 
1 1 1 8   32  27 o 48.33035 4.593884  533.4628       92.02193 440.6974       
129.6387 627.6732       130.6444 43.73795 7.059879 52.92274 5.879897 -9.184784 
9.187768 
1 1 1 8   32  28 o 22.51090 6.117796  76.88707       90.04230 -35.59401      
128.3770 185.8027       126.3259 17.65311 8.011127 27.36869 9.248326 -9.715580 
12.23559 
1 1 1 8   32  29 o 25.08230 6.448099  146.0460       89.95107 96.03779       
128.4818 194.1220       125.9753 22.51215 9.000988 27.65246 9.235481 -5.140306 
12.89620 
1 1 1 8   32  30 o 23.83959 6.052962  105.1534       90.55676 -41.49916      
130.6685 240.6802       125.6142 17.40942 7.950809 30.26976 9.128966 -12.86034 
12.10592 
1 1 1 8   32  31 o 22.07788 6.028092  59.25826       90.18401 214.6050       
133.2197 -72.15585      122.5289 28.27400 9.497321 15.88175 7.426472 12.39226 
12.05618 
1 1 1 8   32  32 o 21.14378 8.168277  98.76659       103.1350 0.000000       
0.000000 98.76659       103.1350 ?        ?        21.14378 8.168277 ? ? 
1 1 1 8   32  33 o 33.79588 5.461785  268.0950       104.7788 634.5497       
154.8963 -41.03984      142.2672 50.20118 7.349335 17.39057 8.081563 32.81061 
10.92357 
1 1 1 8   32  34 o 39.08439 5.873874  405.5549       95.67188 579.5103       
148.2378 281.3687       125.2497 47.30324 7.464299 30.86554 9.071595 16.43770 
11.74775 
1 1 1 8   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   33  4  o 56.39994 3.231916  658.9749       70.79005 778.9540       
131.4712 609.9875       84.00778 59.53000 5.260365 53.26989 3.756287 6.260109 
6.463833 
1 1 1 8   33  5  o 25.68667 6.279049  145.1378       77.86170 164.7223       
141.0588 136.5561       93.37537 26.99400 9.720296 24.37933 7.951207 2.614674 
12.55810 
1 1 1 8   33  6  o 24.70044 5.829720  137.2381       66.92320 127.4094       
127.1498 141.0042       78.70742 24.76151 9.190209 24.63938 7.175138 0.1221294 
11.65944 
1 1 1 8   33  7  o 53.31561 3.845831  616.0916       80.72917 640.8074       
142.0201 604.2933       98.12376 53.72328 6.296631 52.90793 4.417479 0.8153458 
7.691663 
1 1 1 8   33  8  o 65.09132 4.629869  931.1035       107.6530 963.9432       
220.4093 920.8149       123.3694 64.86684 8.093348 65.31580 4.498941 
-0.4489517     9.259738 
1 1 1 8   33  9  o 72.90239 6.358546  1176.281       194.6160 1176.281       
194.6160 0.000000       0.000000 72.90239 6.358546 ?        ?        ? ? 
1 1 1 8   33  10 o 53.12556 4.020834  595.0264       77.76131 663.9350       
158.2901 573.1063       89.27677 54.56727 6.909435 51.68385 4.114383 2.883427 
8.041669 
1 1 1 8   33  11 o 39.49105 4.507425  348.0526       70.67804 478.6888       
104.6604 238.5306       95.82998 46.91455 5.313688 32.06755 7.282325 14.84700 
9.014851 
1 1 1 8   33  12 o 28.30854 5.260682  179.0083       66.21219 271.4619       
99.12697 104.5293       88.97058 34.33110 7.116592 22.28599 7.749401 12.04511 
10.52136 
1 1 1 8   33  13 o 97.70811 2.681625  2050.000       109.0479 1953.472       
163.0339 2128.147       146.6914 95.48741 4.066801 99.92882 3.496511 -4.441406 
5.363251 
1 1 1 8   33  14 o 105.4009 2.956495  2382.457       130.8159 2421.326       
186.4431 2344.766       183.5932 106.2483 4.179702 104.5536 4.182528 1.694740 
5.912990 
1 1 1 8   33  15 o 20.39899 5.595101  66.28358       69.27230 40.11113       
100.1869 90.25726       95.88620 19.13932 7.832204 21.65865 7.992322 -2.519329 
11.19020 
1 1 1 8   33  16 o 46.19120 4.030963  466.7061       77.61281 464.4634       
116.6471 468.4875       103.9663 45.97767 6.042937 46.40474 5.336436 
-0.4270668     8.061926 
1 1 1 8   33  17 o 19.99060 5.427577  58.77614       69.34570 -31.93569      
112.3346 114.6282       88.14568 17.04952 7.625846 22.93167 7.725336 -5.882145 
10.85515 
1 1 1 8   33  18 o 61.37116 3.427204  801.0179       87.47373 931.6725       
135.3738 707.3617       114.6147 65.56278 4.918110 57.17954 4.774422 8.383240 
6.854409 
1 1 1 8   33  19 o 27.83692 6.018204  172.3763       76.93029 242.5746       
121.4828 125.3785       99.40102 31.76226 8.808370 23.91158 8.202911 7.850685 
12.03641 
1 1 1 8   33  20 o 53.21950 3.759104  618.0307       83.92219 650.9680       
121.3719 587.8579       116.1669 54.58380 5.296337 51.85519 5.335942 2.728603 
7.518209 
1 1 1 8   33  21 o 35.85427 5.570150  294.8088       81.14237 386.9972       
126.9031 231.0529       105.5345 40.60739 7.722240 31.10115 8.029527 9.506237 
11.14030 
1 1 1 8   33  22 o 69.89729 3.185516  1058.886       93.39148 1063.465       
135.1433 1054.701       129.2076 69.99538 4.598816 69.79921 4.409187 0.1961746 
6.371031 
1 1 1 8   33  23 o 21.64231 5.824917  81.09317       74.91889 133.3798       
110.8502 37.12617       101.6494 24.44865 8.635369 18.83597 7.819785 5.612679 
11.64983 
1 1 1 8   33  24 o 20.87383 5.797241  70.68754       76.36590 25.01918       
111.2633 111.3620       105.0037 18.85522 8.020988 22.89244 8.372321 -4.037216 
11.59448 
1 1 1 8   33  25 o 21.54392 6.062690  75.32842       83.84383 32.90970       
119.8763 115.9514       117.3115 19.63717 8.338808 23.45067 8.802792 -3.813494 
12.12538 
1 1 1 8   33  26 o 67.35352 3.652527  1007.694       102.8714 960.3661       
149.8194 1049.912       141.5011 65.66473 5.434465 69.04230 4.881640 -3.377571 
7.305054 
1 1 1 8   33  27 o 47.01196 5.203256  529.2965       96.65014 374.5668       
134.6500 693.7415       138.8129 38.68427 8.520489 55.33966 5.974678 -16.65539 
10.40651 
1 1 1 8   33  28 o 32.11207 6.550058  272.8494       93.59502 242.5928       
142.2938 295.9222       124.2585 30.22878 9.815398 33.99537 8.675885 -3.766584 
13.10012 
1 1 1 8   33  29 o 21.62369 5.917789  33.28619       88.84703 214.9539       
134.0085 -109.1997      118.6805 28.48736 9.525398 14.76001 7.024790 13.72734 
11.83558 
1 1 1 8   33  30 o 26.26972 6.511353  180.7724       89.18156 158.7319       
134.5372 198.0482       119.1107 25.16863 9.431042 27.37082 8.980330 -2.202190 
13.02271 
1 1 1 8   33  31 o 32.32487 6.394523  282.9367       92.22716 371.1114       
136.7198 209.3096       124.9334 37.07144 8.886563 27.57831 9.197211 9.493130 
12.78905 
1 1 1 8   33  32 o 20.41518 6.107774  75.05074       90.00972 91.48505       
133.9943 61.53708       121.5059 21.22234 8.904052 19.60803 8.362864 1.614313 
12.21555 
1 1 1 8   33  33 o 21.04393 6.136280  98.52815       90.94403 38.47182       
138.2183 144.3781       120.7690 19.11210 8.505978 22.97576 8.846698 -3.863667 
12.27256 
1 1 1 8   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   34  4  o 26.54284 5.619677  152.1713       61.83691 228.3725       
119.2512 124.1462       72.31952 30.12833 8.850674 22.95735 6.927385 7.170979 
11.23935 
1 1 1 8   34  5  o 28.62711 5.514055  212.5929       66.18864 141.1940       
130.1882 237.4810       76.86373 25.12384 9.304421 32.13039 5.920046 -7.006546 
11.02811 
1 1 1 8   34  6  o 16.24966 5.256345  -74.77538      66.73766 48.58967       
139.7844 -111.1976      75.95318 21.41457 9.044597 11.08475 5.358351 10.32982 
10.51269 
1 1 1 8   34  7  f 19.36902 5.540090  44.52898       74.51187 -59.51233      
127.9699 97.89409       91.65028 17.12147 7.839683 21.61656 7.830054 -4.495094 
11.08018 
1 1 1 8   34  8  o 22.77274 5.580372  95.99960       80.10623 -92.83141      
134.4637 199.8907       99.73725 16.72647 7.805244 28.81901 7.977491 -12.09255 
11.16074 
1 1 1 8   34  9  o 21.09716 6.536226  -35.25336      116.6839 104.9527       
170.0353 -160.0454      160.4165 25.12729 10.22984 17.06703 8.138756 8.060257 
13.07245 
1 1 1 8   34  10 o 67.31591 3.783688  951.6517       97.74247 1105.941       
184.6059 891.5508       115.2173 70.40125 6.245772 64.23057 4.272648 6.170685 
7.567377 
1 1 1 8   34  11 o 42.00317 4.048363  392.4478       70.51082 326.6378       
100.0821 457.3069       99.35658 38.29050 6.225674 45.71585 5.176675 -7.425346 
8.096726 
1 1 1 8   34  12 o 36.11125 4.825751  301.6976       70.86227 264.7894       
104.9109 332.6646       96.09696 33.45239 7.635202 38.77011 5.903827 -5.317722 
9.651502 
1 1 1 8   34  13 o 26.44745 5.649897  163.8881       67.73609 173.4117       
101.1773 156.1525       91.18644 27.07520 8.198539 25.81970 7.776202 1.255495 
11.29979 
1 1 1 8   34  14 o 48.78538 3.798781  521.8866       77.78986 530.6569       
109.6336 512.9944       110.3933 49.22403 5.305025 48.34673 5.438719 0.8773003 
7.597563 
1 1 1 8   34  15 o 25.65473 5.803696  153.1432       70.52542 150.6363       
101.5175 155.4817       98.04893 25.51118 8.290626 25.79827 8.123859 
-0.2870827     11.60739 
1 1 1 8   34  16 o 46.98920 4.080405  501.8939       77.62775 374.7566       
113.6778 612.9836       106.2615 40.87440 6.624380 53.10399 4.766175 -12.22960 
8.160810 
1 1 1 8   34  17 o 25.32650 5.889940  141.0331       75.23683 206.7143       
110.0736 83.44082       103.0730 29.29415 8.470620 21.35884 8.186219 7.935305 
11.77988 
1 1 1 8   34  18 o 36.33984 5.316609  327.5298       81.22272 160.3316       
118.5391 475.5004       111.5150 26.30537 8.958755 46.37431 5.727655 -20.06894 
10.63322 
1 1 1 8   34  19 o 66.88953 3.367404  976.5051       94.37537 920.7555       
134.7062 1030.249       132.2612 64.91690 4.942547 68.86216 4.574810 -3.945259 
6.734809 
1 1 1 8   34  20 o 25.89881 5.812896  152.5490       81.20363 25.71442       
123.8071 248.3052       107.5747 19.73143 8.429402 32.06619 8.006510 -12.33476 
11.62579 
1 1 1 8   34  21 o 78.00109 3.113490  1329.970       101.1465 1237.334       
149.2564 1408.640       137.5458 75.27538 4.722816 80.72680 4.058360 -5.451416 
6.226980 
1 1 1 8   34  22 o 30.12175 6.309195  226.7290       86.36948 191.4455       
125.8585 258.1351       118.7417 27.96045 9.231200 32.28305 8.602831 -4.322596 
12.61839 
1 1 1 8   34  23 o 41.93295 5.102938  414.3608       86.99673 365.0052       
125.0443 460.6624       121.1138 38.81828 7.946717 45.04763 6.403872 -6.229343 
10.20588 
1 1 1 8   34  24 o 19.17349 5.668272  1.425820       83.76765 117.5516       
120.9933 -105.4776      116.0895 23.50200 8.909435 14.84498 7.009937 8.657015 
11.33654 
1 1 1 8   34  25 o 36.24780 5.810949  333.7855       90.42400 442.1493       
124.2089 211.5961       131.8946 43.73200 6.765102 28.76361 9.449969 14.96839 
11.62190 
1 1 1 8   34  26 o 53.47119 4.265875  652.3097       95.64104 678.4116       
134.1511 625.3291       136.3904 54.69135 5.842472 52.25103 6.217418 2.440323 
8.531751 
1 1 1 8   34  27 o 23.18369 6.281144  115.4047       87.45939 71.06712       
125.5413 157.2150       121.9110 21.09623 8.720022 25.27115 9.042802 -4.174919 
12.56229 
1 1 1 8   34  28 f 66.22878 3.880026  1003.770       106.5426 923.4946       
159.0057 1069.177       143.5282 63.33809 5.979553 69.11945 4.946044 -5.781364 
7.760052 
1 1 1 8   34  29 o 23.83286 5.978737  129.5415       85.45460 6.331784       
128.5435 227.1169       114.3926 18.46534 8.210944 29.20038 8.692616 -10.73504 
11.95747 
1 1 1 8   34  30 o 20.56629 5.925790  50.28516       85.96516 172.1658       
130.3916 -43.42101      114.3316 25.28289 9.321593 15.84968 7.319006 9.433208 
11.85158 
1 1 1 8   34  31 o 28.07545 6.709068  226.6192       92.44675 285.5616       
147.7492 188.6963       118.5119 30.40151 10.00183 25.74940 8.944819 4.652111 
13.41814 
1 1 1 8   34  32 o 26.25973 6.621054  202.2535       92.04600 261.7741       
140.8938 157.9347       121.5773 28.86150 9.767039 23.65796 8.941944 5.203547 
13.24211 
1 1 1 8   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   35  4  o 36.20293 5.526542  295.9385       83.99939 0.000000       
0.000000 295.9385       83.99939 ?        ?        36.20293 5.526542 ? ? 
1 1 1 8   35  5  o 30.78699 5.134708  264.9504       67.38713 114.7272       
124.9134 326.6161       80.03181 23.22707 8.986044 38.34692 4.971108 -15.11985 
10.26942 
1 1 1 8   35  6  o 28.54915 6.240511  194.6761       75.83784 236.0231       
146.3156 179.4878       88.67966 30.01436 9.953188 27.08394 7.530602 2.930422 
12.48102 
1 1 1 8   35  7  o 17.81523 5.436550  14.85683       74.24899 -66.25646      
133.6797 51.04342       89.28805 17.12539 7.910389 18.50507 7.459897 -1.379681 
10.87310 
1 1 1 8   35  8  o 31.46196 6.370890  228.5533       82.46259 323.1187       
153.2115 189.9864       97.84363 35.09508 9.944229 27.82883 7.966510 7.266247 
12.74178 
1 1 1 8   35  9  o 32.55979 6.488245  256.9946       87.58309 308.7852       
156.5649 233.4059       105.6625 34.30503 10.16078 30.81454 8.071423 3.490492 
12.97649 
1 1 1 8   35  10 o 19.78959 6.230685  3.382295       97.69065 -127.7605      
205.0030 41.91215       111.1186 20.09111 9.436654 19.48808 8.138506 0.6030331 
12.46137 
1 1 1 8   35  11 o 42.76382 5.762245  406.8448       90.93124 516.6362       
178.3664 368.2903       105.6980 45.11592 9.695477 40.41171 6.229894 4.704212 
11.52449 
1 1 1 8   35  12 o 19.08434 5.390192  46.17408       66.05845 96.27785       
100.7082 8.336906       87.51625 21.79700 8.161221 16.37169 7.043519 5.425308 
10.78038 
1 1 1 8   35  13 o 20.49107 5.434023  49.40427       71.74220 -50.50097      
98.96007 160.0779       104.1569 15.07993 6.900363 25.90222 8.396394 -10.82229 
10.86805 
1 1 1 8   35  14 o 25.82795 5.859728  158.3868       72.66806 131.7237       
102.8456 184.9697       102.6908 24.04029 8.334430 27.61562 8.239110 -3.575327 
11.71946 
1 1 1 8   35  15 o 49.84672 3.762829  544.8732       78.43291 613.4049       
116.5285 488.1102       106.0520 52.71708 5.265045 46.97636 5.377253 5.740723 
7.525659 
1 1 1 8   35  16 o 38.79783 4.897363  348.1997       77.31712 420.7097       
112.3218 282.9025       106.5891 43.24669 6.186318 34.34897 7.593822 8.897720 
9.794726 
1 1 1 8   35  17 o 18.64985 5.485956  36.77209       71.32704 21.50022       
103.9171 50.37624       98.07919 18.16482 7.740211 19.13488 7.776373 
-0.9700584     10.97191 
1 1 1 8   35  18 o 17.20903 5.293091  -7.078110      74.38091 -74.71177      
111.6208 46.94256       99.75710 15.36504 7.147258 19.05302 7.809222 -3.687982 
10.58618 
1 1 1 8   35  19 o 46.11861 4.374445  477.9022       84.27441 547.9250       
123.5000 416.8825       115.2874 49.38305 5.956759 42.85417 6.407815 6.528881 
8.748890 
1 1 1 8   35  20 o 85.24850 3.086950  1586.302       109.6654 1571.415       
164.8188 1598.130       146.9034 84.68587 4.635717 85.81113 4.077643 -1.125252 
6.173901 
1 1 1 8   35  21 o 24.73364 5.990908  139.1938       78.14888 201.6402       
111.1692 78.18683       109.8805 28.42965 8.590869 21.03763 8.352298 7.392017 
11.98182 
1 1 1 8   35  22 o 61.96301 3.755589  859.4737       96.41857 829.2706       
146.9110 882.3273       127.7923 60.67970 5.766761 63.24631 4.812718 -2.566616 
7.511177 
1 1 1 8   35  23 o 36.94862 5.779866  330.4804       86.95413 423.1920       
134.7373 264.3059       113.8325 41.48965 8.021454 32.40759 8.323682 9.082066 
11.55973 
1 1 1 8   35  24 o 48.77435 4.460268  553.3490       89.66112 501.8152       
135.6347 593.3472       119.4935 46.25095 6.985079 51.29775 5.548389 -5.046806 
8.920536 
1 1 1 8   35  25 o 105.6821 3.436820  2472.720       152.0620 2316.875       
205.8669 2659.838       225.5786 102.1073 4.802316 109.2569 4.917793 -7.149551 
6.873640 
1 1 1 8   35  26 o 29.30112 6.314697  225.1749       87.67953 292.1949       
124.2845 158.7700       123.7127 33.39454 8.756888 25.20770 9.100466 8.186840 
12.62939 
1 1 1 8   35  27 o 33.48054 6.228108  298.6708       89.07922 271.4018       
125.8934 326.0125       126.0609 31.73226 9.021519 35.22881 8.588920 -3.496555 
12.45622 
1 1 1 8   35  28 o 47.01904 5.324420  539.5748       96.07806 1019.623       
149.9666 205.3620       125.1306 66.70516 5.354959 27.33291 9.204468 39.37225 
10.64884 
1 1 1 8   35  29 o 27.26189 6.190188  185.6976       88.47173 340.4956       
135.3710 70.28176       116.8895 34.65469 9.163054 19.86908 8.325393 14.78561 
12.38038 
1 1 1 8   35  30 o 24.28296 6.394317  167.5325       89.30119 124.4635       
137.2637 199.1395       117.5887 22.35788 9.161513 26.20804 8.922771 -3.850163 
12.78863 
1 1 1 8   35  31 o 23.36045 6.489181  139.1361       92.70672 225.7599       
147.2598 82.26530       119.3192 26.72189 9.895794 19.99902 8.397092 6.722872 
12.97836 
1 1 1 8   36  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   36  4  o 41.52726 6.583856  409.7258       114.7869 0.000000       
0.000000 409.7258       114.7869 ?        ?        41.52726 6.583856 ? ? 
1 1 1 8   36  5  o 40.88728 4.903920  366.1244       75.24258 502.2009       
144.7980 315.7886       88.06622 44.63524 8.018327 37.13933 5.648021 7.495907 
9.807839 
1 1 1 8   36  6  o 31.34857 5.769497  240.8752       71.71608 280.8424       
132.7442 224.4012       85.22414 32.34440 9.285733 30.35273 6.850076 1.991673 
11.53899 
1 1 1 8   36  7  o 52.88830 4.799924  635.3303       90.64825 698.4107       
186.7069 615.8750       103.6892 53.08152 8.377957 52.69508 4.686887 0.3864403 
9.599848 
1 1 1 8   36  8  o 20.69937 6.054969  66.68703       85.35093 -4.792949      
155.3898 97.56951       102.1378 19.90593 8.934502 21.49281 8.174673 -1.586885 
12.10994 
1 1 1 8   36  9  o 34.48668 6.462226  283.3142       85.78423 378.3011       
171.2472 251.4932       99.11715 36.99430 10.52316 31.97907 7.503633 5.015226 
12.92445 
1 1 1 8   36  10 o 47.35188 5.783061  480.4769       97.68810 707.6133       
205.6868 414.3204       111.0067 52.15682 9.754791 42.54694 6.214436 9.609875 
11.56612 
1 1 1 8   36  11 o 73.49632 4.773448  1195.254       130.0128 1380.164       
257.6317 1132.073       150.5952 75.58776 8.118371 71.40488 5.023475 4.182877 
9.546897 
1 1 1 8   36  12 o 43.53403 4.447075  434.7626       80.88748 398.5941       
116.0904 468.8895       112.7664 41.55525 6.654133 45.51282 5.901561 -3.957573 
8.894150 
1 1 1 8   36  13 o 35.82350 5.229845  310.7137       77.35836 381.1154       
108.6247 238.2624       110.1946 40.82541 6.337518 30.82159 8.321116 10.00382 
10.45969 
1 1 1 8   36  14 o 58.96864 3.607050  776.1439       88.49192 812.7061       
119.4765 731.7120       131.7087 60.76762 4.683078 57.16967 5.487442 3.597946 
7.214100 
1 1 1 8   36  15 o 34.00924 5.185552  288.6398       76.97562 439.1008       
107.7079 131.5645       110.0498 44.11978 5.814806 23.89870 8.587655 20.22108 
10.37110 
1 1 1 8   36  16 o 20.14714 5.673645  66.18552       72.70329 97.18494       
105.9049 38.55423       99.98615 21.79289 8.313762 18.50138 7.722846 3.291513 
11.34729 
1 1 1 8   36  17 o 40.92833 4.815776  391.9062       80.29395 393.0768       
120.7037 390.9769       107.5387 40.43752 7.383916 41.41914 6.184219 
-0.9816246     9.631552 
1 1 1 8   36  18 o 50.63258 4.115001  584.9897       86.42629 523.2830       
127.2502 637.8284       117.7521 47.79009 6.342225 53.47507 5.244914 -5.684982 
8.230002 
1 1 1 8   36  19 o 37.21775 5.342838  337.2930       80.60403 327.6727       
113.3939 347.1187       114.5983 36.61382 7.627892 37.82168 7.483245 -1.207863 
10.68568 
1 1 1 8   36  20 o 35.31798 5.754850  310.5936       83.51992 340.0338       
123.0489 285.4435       113.7307 36.88923 8.162242 33.74673 8.114863 3.142498 
11.50970 
1 1 1 8   36  21 o 67.25299 3.613683  1025.012       100.1076 837.4211       
144.8408 1196.581       138.5178 60.79993 5.674254 73.70605 4.476343 -12.90612 
7.227365 
1 1 1 8   36  22 o 21.94345 5.811028  94.78460       75.53365 163.7040       
110.4346 34.20218       103.5399 25.55563 8.647078 18.33127 7.765321 7.224356 
11.62206 
1 1 1 8   36  23 o 57.74796 3.845439  753.4355       93.12152 785.5322       
135.7867 724.9370       127.9499 58.86308 5.494590 56.63284 5.381366 2.230244 
7.690879 
1 1 1 8   36  24 o 17.20508 5.491414  -26.99696      85.78885 24.10104       
120.6710 -79.21573      121.9872 18.76784 8.174625 15.64232 7.334712 3.125521 
10.98283 
1 1 1 8   36  25 o 30.10800 6.531048  245.6951       91.42274 297.9784       
133.2543 199.1998       125.6620 33.00900 9.248584 27.20700 9.223992 5.802000 
13.06210 
1 1 1 8   36  26 o 21.03212 6.049399  65.71369       91.62045 -44.80936      
133.3454 164.5520       126.0997 17.06964 7.890683 24.99461 9.171590 -7.924973 
12.09880 
1 1 1 8   36  27 o 40.79052 5.637907  435.7971       94.29014 502.8406       
132.6042 367.2314       134.1012 45.12982 6.998656 36.45122 8.840972 8.678604 
11.27581 
1 1 1 8   36  28 o 86.35303 4.797771  1875.025       161.3826 1943.020       
199.1597 1745.007       275.4008 91.44474 5.187568 81.26132 8.072395 10.18342 
9.595542 
1 1 1 8   36  29 o 19.61928 5.908428  69.26755       86.62984 35.16720       
129.5205 96.87175       116.5324 18.63465 8.268824 20.60390 8.441839 -1.969246 
11.81686 
1 1 1 8   37  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   37  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 8   37  5  o 44.15520 5.380285  454.1089       99.73923 0.000000       
0.000000 454.1089       99.73923 ?        ?        44.15520 5.380285 ? ? 
1 1 1 8   37  6  o 22.63827 5.752346  133.4136       71.97874 54.54161       
137.1172 163.4154       84.56773 20.16138 8.746690 25.11516 7.473509 -4.953773 
11.50469 
1 1 1 8   37  7  o 48.99838 5.024581  574.8420       87.75099 615.9662       
171.1479 560.1757       102.2077 48.22054 8.778693 49.77623 4.890831 -1.555691 
10.04916 
1 1 1 8   37  8  o 26.04038 5.564804  179.9365       88.93623 -110.7649      
162.2222 304.8576       106.3420 17.30552 8.225202 34.77524 7.497614 -17.46973 
11.12961 
1 1 1 8   37  9  o 18.51355 5.894933  -2.769230      86.69046 25.22177       
165.9749 -13.27016      101.6592 20.89675 9.310032 16.13034 7.233550 4.766415 
11.78987 
1 1 1 8   37  10 o 25.84697 6.763322  163.1988       88.66502 184.5573       
179.8076 156.3368       101.9177 26.83993 10.67542 24.85402 8.306953 1.985912 
13.52664 
1 1 1 8   37  11 o 27.96108 6.976964  208.3620       97.43985 189.5113       
189.5471 215.1330       113.5993 27.25897 10.91862 28.66319 8.688835 -1.404213 
13.95393 
1 1 1 8   37  12 o 40.90496 7.161661  463.4749       114.6819 442.2239       
228.4125 470.6377       132.6078 37.36544 12.43589 44.44447 7.106775 -7.079025 
14.32332 
1 1 1 8   37  13 o 65.37469 3.450559  940.1524       94.00356 1072.803       
143.9340 841.4861       124.1348 69.28471 4.948198 61.46468 4.810485 7.820034 
6.901118 
1 1 1 8   37  14 o 30.10588 5.252985  222.7244       75.62424 359.2798       
106.9171 86.00656       106.9806 39.26475 6.485825 20.94702 8.264955 18.31773 
10.50597 
1 1 1 8   37  15 o 22.57434 5.879489  115.0724       75.24495 74.45243       
110.0718 150.7065       103.0954 20.49802 8.274707 24.65067 8.354807 -4.152657 
11.75898 
1 1 1 8   37  16 o 59.22836 3.747661  792.4936       92.58654 894.1554       
131.4417 692.3779       130.4384 63.26917 4.948370 55.18756 5.629698 8.081600 
7.495323 
1 1 1 8   37  17 o 41.97098 5.001446  419.8625       86.23560 391.7387       
116.5064 453.9409       128.2486 40.16576 7.166888 43.77620 6.978076 -3.610439 
10.00289 
1 1 1 8   37  18 o 32.88165 5.511618  268.9867       76.95982 377.0887       
113.7492 177.7293       104.5118 39.38647 7.141811 26.37683 8.396800 13.00965 
11.02324 
1 1 1 8   37  19 o 49.52553 4.230520  562.3417       87.74242 607.2240       
129.7367 524.5073       119.1156 51.30843 6.022757 47.74263 5.942693 3.565796 
8.461040 
1 1 1 8   37  20 o 17.37025 5.474477  -4.334215      80.85864 -17.88240      
114.9674 8.927434       113.7452 16.93730 7.639395 17.80321 7.843421 
-0.8659019     10.94895 
1 1 1 8   37  21 o 15.87551 5.033188  -96.51495      82.27773 -317.9756      
125.3683 71.03905       109.0478 11.66064 5.855730 20.09037 8.187940 -8.429727 
10.06638 
1 1 1 8   37  22 o 24.75301 6.435204  156.3353       87.75566 164.8394       
127.5174 148.6843       120.9531 25.21433 9.225843 24.29169 8.973919 0.9226418 
12.87041 
1 1 1 8   37  23 o 61.12449 4.004040  842.7141       101.3104 1009.299       
160.4539 732.2744       130.6459 65.87635 5.801518 56.37262 5.520120 9.503731 
8.008080 
1 1 1 8   37  24 o 26.38369 6.617896  194.7424       91.97962 192.8031       
125.5371 196.9901       135.1521 26.31266 9.199825 26.45472 9.515745 
-0.1420593     13.23579 
1 1 1 8   37  25 o 26.57141 6.696381  205.4572       94.38589 200.5336       
130.5529 210.8489       136.6171 26.33996 9.364553 26.80287 9.574507 
-0.4629116     13.39276 
1 1 1 8   37  26 o 19.78718 5.972537  64.71111       89.59282 16.88309       
130.3028 107.5967       123.3867 18.19250 8.173113 21.38187 8.711200 -3.189375 
11.94507 
1 1 1 8   37  27 o 33.86631 6.619487  343.5459       98.03883 296.8240       
136.3305 393.5852       141.0875 31.09508 9.537217 36.63753 9.182152 -5.542450 
13.23897 
1 1 1 8   38  6  o 28.86551 6.318102  240.3797       79.05875 260.6021       
157.5076 233.5690       91.40746 28.15893 10.25836 29.57210 7.378332 -1.413166 
12.63620 
1 1 1 8   38  7  o 17.74952 5.401676  34.41714       77.62367 -114.0350      
148.4501 90.28080       91.06509 15.84138 7.619589 19.65766 7.658609 -3.816277 
10.80335 
1 1 1 8   38  8  o 24.30681 6.560501  169.0072       91.51456 118.6365       
183.4444 185.6963       105.5923 22.93435 10.03331 25.67928 8.455379 -2.744926 
13.12100 
1 1 1 8   38  9  o 19.51130 5.774336  55.81570       88.35874 -126.1189      
163.5567 130.7971       104.9995 16.58224 7.981292 22.44035 8.346903 -5.858110 
11.54867 
1 1 1 8   38  10 o 23.59238 6.676298  126.3391       87.24657 204.6243       
184.8736 103.9083       98.95956 26.26343 10.67541 20.92132 8.020432 5.342110 
13.35260 
1 1 1 8   38  11 o 21.97904 6.550504  92.49585       96.04887 132.6913       
176.1496 75.48840       114.5811 23.87455 10.12178 20.08353 8.317814 3.791023 
13.10101 
1 1 1 8   38  12 o 20.54947 6.498916  31.67645       101.3899 91.71030       
201.2708 11.26154       117.3698 23.35047 10.34134 17.74846 7.874029 5.602009 
12.99783 
1 1 1 8   38  13 o 23.88496 5.851809  109.6627       88.55796 277.0977       
124.4309 -62.19846      126.0648 31.66523 8.958253 16.10469 7.531559 15.56054 
11.70362 
1 1 1 8   38  14 o 56.83707 4.260068  752.5144       101.2192 671.4025       
136.7431 850.8209       150.5407 53.40092 6.099266 60.27322 5.949091 -6.872299 
8.520137 
1 1 1 8   38  15 o 23.82867 6.103477  142.8077       79.46523 109.8796       
109.7918 179.0357       115.1620 21.82267 8.428342 25.83467 8.830220 -4.012005 
12.20695 
1 1 1 8   38  16 o 21.45586 5.873684  100.8792       77.62923 55.58669       
113.0404 141.3047       106.7943 19.34278 8.149755 23.56895 8.460624 -4.226175 
11.74737 
1 1 1 8   38  17 o 21.02677 5.731482  74.28584       79.90002 -29.33239      
112.4620 179.8947       113.5371 16.18100 7.384234 25.87253 8.767702 -9.691528 
11.46296 
1 1 1 8   38  18 o 24.96828 6.166857  163.8670       83.13371 219.1181       
114.0975 101.3403       121.3775 28.29790 8.734262 21.63866 8.708224 6.659239 
12.33371 
1 1 1 8   38  19 o 27.88921 6.398674  216.2293       85.43520 200.4393       
116.2926 234.7446       125.9291 26.95754 8.873459 28.82088 9.221380 -1.863340 
12.79735 
1 1 1 8   38  20 o 31.72004 5.281729  262.1372       83.92348 65.49615       
118.4333 460.4636       118.9398 19.77114 8.336625 43.66893 6.487473 -23.89778 
10.56346 
1 1 1 8   38  21 o 29.70275 6.021786  246.4639       85.50559 350.5018       
120.4476 140.7664       121.4044 36.19046 8.126917 23.21503 8.888241 12.97543 
12.04357 
1 1 1 8   38  22 o 30.52251 6.371265  276.1343       90.19100 215.1223       
137.9149 321.7243       119.2170 26.83690 9.616557 34.20811 8.360257 -7.371206 
12.74253 
1 1 1 8   38  23 o 18.29194 5.791710  18.97188       92.44221 46.48466       
128.0294 -10.99412      133.6155 19.07116 8.362303 17.51272 8.015455 1.558434 
11.58342 
1 1 1 8   38  24 f 20.90169 6.236562  69.73357       98.64746 182.8671       
144.8734 -28.06709      134.6988 24.78204 9.658831 17.02133 7.892137 7.760712 
12.47312 
1 1 1 8   38  25 o 20.30120 6.168059  78.88406       95.08778 55.13570       
143.0567 97.68083       127.2720 19.75433 8.737430 20.84806 8.708452 -1.093731 
12.33612 
1 1 1 8   39  11 o 19.19826 6.099761  42.25103       94.12379 -13.50909      
198.8050 58.36089       106.8591 19.85093 9.318096 18.54558 7.874096 1.305353 
12.19952 
1 1 1 8   39  12 o 64.13550 4.991364  979.6094       118.2833 1201.895       
235.9624 905.0067       136.6987 66.15453 8.495799 62.11647 5.241781 4.038059 
9.982728 
1 1 1 8   39  13 o 33.37083 7.743155  313.0527       112.3678 585.5157       
227.0098 224.6298       129.3222 39.55479 12.34252 27.18686 9.353503 12.36793 
15.48631 
1 1 1 8   39  14 o 21.58289 6.250212  107.3344       91.89023 57.16589       
127.7733 161.0775       132.2469 19.35089 8.419952 23.81488 9.239319 -4.463985 
12.50042 
1 1 1 8   39  15 o 23.44982 6.249215  129.6751       94.38873 260.5287       
134.1776 1.485896       132.8046 29.13477 9.531405 17.76486 8.084742 11.36991 
12.49843 
1 1 1 8   39  16 o 44.64218 4.842131  502.4280       87.31219 412.5282       
121.5231 598.3549       125.5305 39.52172 7.594912 49.76264 6.008514 -10.24091 
9.684262 
1 1 1 8   39  17 o 13.20762 4.535913  -160.5873      80.37924 -51.21791      
115.0260 -264.9596      112.3675 15.29500 7.162957 11.12024 5.566872 4.174759 
9.071825 
1 1 1 8   39  18 o 21.19649 5.993898  105.2042       82.83959 154.0036       
116.9782 56.11224       117.3283 23.48289 8.795136 18.91008 8.145725 4.572813 
11.98780 
1 1 1 8   39  19 o 22.51938 6.203175  136.1454       84.43909 142.7256       
113.3345 127.9356       126.5922 22.84431 8.633769 22.19445 8.909296 0.6498623 
12.40635 
1 1 1 8   39  20 o 26.00794 6.511014  202.7189       88.91940 197.5601       
120.5917 208.8658       131.6348 25.81389 9.017618 26.20199 9.394456 
-0.3880997     13.02203 
1 1 1 9   -31 0  o 13.23869 4.640306  -267.7110      99.81554 -108.7668      
130.4516 -492.1899      155.0297 14.91650 7.166929 11.56087 5.896177 3.355637 
9.280613 
1 1 1 9   -30 0  o 27.82698 7.064686  210.0487       101.2657 178.4126       
125.0359 270.3582       172.6381 25.74900 9.163536 29.90495 10.75494 -4.155952 
14.12937 
1 1 1 9   -30 1  o 62.64859 4.961398  919.9435       120.6544 841.8384       
143.5160 1108.211       222.8168 59.93692 5.703309 65.36025 8.119985 -5.423328 
9.922796 
1 1 1 9   -30 2  o 16.75289 5.545818  -46.94004      94.40682 -37.63631      
116.5344 -64.70520      161.0312 15.88658 7.356303 17.61920 8.301157 -1.732616 
11.09164 
1 1 1 9   -30 3  o 23.14272 6.525936  134.5136       110.2183 235.5985       
135.5246 -62.94892      189.4162 27.63056 9.568489 18.65487 8.876675 8.975683 
13.05187 
1 1 1 9   -29 0  o 38.09670 6.779547  390.0124       104.2969 393.7028       
126.7683 382.2810       183.4844 39.81190 7.864261 36.38150 11.04547 3.430405 
13.55909 
1 1 1 9   -29 1  o 20.95774 6.337582  28.31709       97.64481 -37.73882      
122.3577 144.1573       162.0336 16.85320 7.695548 25.06229 10.07166 -8.209091 
12.67516 
1 1 1 9   -29 2  o 27.02012 6.920686  179.1715       97.73368 128.7437       
120.5715 275.7853       166.8896 23.29949 8.875947 30.74075 10.62079 -7.441263 
13.84137 
1 1 1 9   -29 3  o 59.76479 4.937239  826.5978       120.5671 690.0469       
150.7914 1068.619       200.7501 53.56984 6.704667 65.95974 7.249329 -12.38990 
9.874478 
1 1 1 9   -29 4  o 24.92200 7.042617  149.4059       105.9934 95.01849       
129.0207 262.3122       185.8957 21.29215 8.822867 28.55184 10.97956 -7.259691 
14.08523 
1 1 1 9   -29 5  o 27.34333 7.085529  214.0780       99.78822 171.3267       
119.6023 312.0081       181.0184 24.54715 8.939497 30.13951 10.99565 -5.592356 
14.17106 
1 1 1 9   -29 6  o 19.79173 6.054707  68.17956       90.58145 66.87766       
115.1447 70.29344       146.7221 19.21743 8.166924 20.36602 8.940874 -1.148588 
12.10941 
1 1 1 9   -28 0  o 18.73148 5.627577  20.41477       80.30132 73.96300       
108.0901 -45.54192      119.9618 20.70883 8.264385 16.75413 7.640579 3.954693 
11.25515 
1 1 1 9   -28 1  o 50.99483 5.653765  667.8494       102.1488 727.5923       
122.4523 531.1489       185.2289 57.20304 5.098813 44.78664 10.09269 12.41640 
11.30753 
1 1 1 9   -28 2  o 47.11929 5.833271  519.5663       107.8555 455.0628       
131.8616 649.9566       187.4777 43.91872 7.151379 50.31986 9.217699 -6.401134 
11.66654 
1 1 1 9   -28 3  o 28.03329 6.838026  174.3318       97.35670 92.89355       
120.0125 331.0729       166.4959 21.80982 8.706843 34.25676 10.54634 -12.44693 
13.67605 
1 1 1 9   -28 4  o 20.43550 6.251128  28.20805       103.4393 107.9446       
139.5044 -69.16428      154.1619 22.93887 9.292631 17.93214 8.363815 5.006725 
12.50226 
1 1 1 9   -28 5  o 22.52592 6.124388  108.2726       88.38000 181.6434       
117.3956 12.28701       134.2744 26.15012 8.915441 18.90172 8.399252 7.248402 
12.24878 
1 1 1 9   -28 6  o 27.21703 5.775291  189.0332       89.89642 350.8830       
121.6661 -5.568070      133.4094 36.41294 8.161687 18.02112 8.173299 18.39182 
11.55058 
1 1 1 9   -28 7  o 29.59977 6.642698  246.1400       91.00089 188.9021       
114.5259 344.1738       149.8822 25.73816 8.805799 33.46138 9.947847 -7.723219 
13.28540 
1 1 1 9   -28 8  o 31.52057 6.594730  301.9799       95.24214 355.7682       
133.9303 246.9493       135.4683 34.84534 9.068644 28.19578 9.577137 6.649561 
13.18946 
1 1 1 9   -27 0  o 28.77789 5.501711  200.9486       87.96424 358.3870       
112.8408 -42.92125      140.4397 39.10635 7.137743 18.44943 8.374242 20.65692 
11.00342 
1 1 1 9   -27 1  o 84.79436 4.123946  1656.230       136.0641 1762.186       
167.8808 1453.385       232.2845 89.95008 4.445498 79.63865 6.947320 10.31143 
8.247891 
1 1 1 9   -27 2  o 42.48206 5.243060  407.5087       89.78526 335.5826       
113.8205 525.9922       146.0852 37.41473 7.510530 47.54940 7.317832 -10.13467 
10.48612 
1 1 1 9   -27 3  o 18.53405 5.832999  -11.63578      89.76623 -34.38717      
116.6658 21.37917       140.5384 16.85189 7.643102 20.21620 8.813540 -3.364305 
11.66600 
1 1 1 9   -27 4  o 25.45870 6.633155  154.1459       93.70924 164.5273       
129.6281 142.7818       135.6249 25.97539 9.321644 24.94201 9.439384 1.033379 
13.26631 
1 1 1 9   -27 5  o 28.73045 6.405131  207.8051       91.19432 121.1307       
125.9178 303.4186       132.2517 23.43839 9.031549 34.02250 9.084818 -10.58411 
12.81026 
1 1 1 9   -27 6  o 19.09506 5.915382  9.370211       93.93127 72.30389       
124.5452 -73.64937      143.0459 20.96886 8.677447 17.22126 8.041698 3.747602 
11.83076 
1 1 1 9   -27 7  o 21.92302 6.288007  96.61602       90.26220 86.29791       
125.3233 107.7376       130.1114 21.36912 8.754766 22.47693 9.028299 -1.107809 
12.57601 
1 1 1 9   -27 8  o 18.27816 5.800566  -21.17374      98.07071 79.34290       
134.3009 -136.0058      143.5461 21.03240 8.873432 15.52392 7.473182 5.508485 
11.60113 
1 1 1 9   -27 9  o 22.25360 6.398065  121.8073       93.87993 123.5496       
131.5488 119.9990       134.0182 22.30793 9.029232 22.19928 9.067188 0.1086578 
12.79613 
1 1 1 9   -27 10 o 21.79336 6.492371  112.4711       101.9698 133.9033       
138.6212 87.19917       150.5276 22.56105 9.219370 21.02567 9.143671 1.535379 
12.98474 
1 1 1 9   -26 0  o 49.09637 4.517442  529.9778       91.23328 506.2739       
116.8198 567.0411       146.0754 47.94638 5.803390 50.24637 6.924579 -2.299992 
9.034883 
1 1 1 9   -26 1  o 64.48946 3.940701  933.3829       103.9707 1028.419       
137.6838 807.2832       158.5976 68.78570 4.767666 60.19323 6.275814 8.592472 
7.881401 
1 1 1 9   -26 2  o 71.54301 3.888284  1133.457       113.0205 1149.914       
143.7619 1106.827       182.8759 72.68203 4.711266 70.40399 6.187000 2.278038 
7.776567 
1 1 1 9   -26 3  o 31.04351 6.362923  221.6448       93.63745 112.4247       
123.9165 367.0206       142.9631 23.60600 8.996619 38.48101 9.000443 -14.87501 
12.72585 
1 1 1 9   -26 4  o 60.93058 3.991021  825.9426       101.7581 811.4879       
137.9822 843.1775       150.6685 60.47567 5.434546 61.38549 5.846256 
-0.9098206     7.982042 
1 1 1 9   -26 5  o 100.1135 3.760667  2237.950       157.0378 2348.654       
214.1953 2109.287       230.9161 103.1807 4.944618 97.04639 5.667558 6.134277 
7.521334 
1 1 1 9   -26 6  o 70.89471 4.065688  1123.789       116.7755 1095.892       
146.5720 1172.268       193.2216 70.32656 4.964239 71.46285 6.440156 -1.136292 
8.131376 
1 1 1 9   -26 7  o 47.55190 5.317305  557.4368       99.69389 630.6826       
132.3872 461.4919       151.5184 52.54321 6.001370 42.56059 8.779436 9.982620 
10.63461 
1 1 1 9   -26 8  o 54.92618 4.308248  694.4694       98.85754 680.3876       
132.9473 711.8847       147.8483 54.53149 5.807017 55.32087 6.365733 
-0.7893715     8.616496 
1 1 1 9   -26 9  o 106.1677 5.232627  2676.183       191.4087 2621.919       
216.8408 2867.666       407.3318 108.1446 4.775920 104.1908 9.311935 3.953827 
10.46525 
1 1 1 9   -26 10 o 38.77144 6.999595  417.6399       114.0393 318.0219       
146.5064 570.7906       181.6550 32.91931 9.845066 44.62358 9.952487 -11.70427 
13.99919 
1 1 1 9   -26 11 o 48.58581 6.674054  679.0677       129.9237 691.6551       
167.6137 660.1204       205.6428 51.47316 7.756216 45.69846 10.86338 5.774693 
13.34811 
1 1 1 9   -25 0  f 90.98730 3.847348  1811.844       145.2743 2100.995       
204.3835 1516.584       206.5311 98.65276 4.934665 83.32185 5.904019 15.33091 
7.694696 
1 1 1 9   -25 1  o 24.14398 6.371219  111.9271       85.74260 99.20251       
112.4753 129.5814       132.4832 22.94034 8.617815 25.34763 9.386320 -2.407295 
12.74244 
1 1 1 9   -25 2  o 27.40961 6.165511  171.6495       86.95653 253.5871       
116.2601 67.60807       131.0065 32.62440 8.429980 22.19481 8.999418 10.42959 
12.33102 
1 1 1 9   -25 3  o 90.99388 3.543596  1796.123       135.1102 1712.824       
184.1734 1893.192       198.8149 88.76083 4.942273 93.22693 5.079590 -4.466103 
7.087193 
1 1 1 9   -25 4  o 85.63861 3.666816  1590.353       130.5605 1503.549       
171.3008 1710.672       201.6764 83.05607 4.912574 88.22115 5.445069 -5.165077 
7.333632 
1 1 1 9   -25 5  o 68.47691 3.871681  1048.097       109.2429 1249.890       
153.0398 838.4537       155.9880 75.66508 4.817590 61.28873 6.062218 14.37635 
7.743362 
1 1 1 9   -25 6  o 38.79520 5.843553  357.5694       94.37863 267.0761       
127.3292 467.9062       140.5982 32.66328 9.001421 44.92712 7.454049 -12.26384 
11.68711 
1 1 1 9   -25 7  o 19.67562 6.033390  20.08329       91.97230 36.89703       
119.9198 -3.933784      143.3240 19.72363 8.356170 19.62760 8.705262 
0.9603500E-01  12.06678 
1 1 1 9   -25 8  o 61.28929 4.821380  899.1014       115.5748 973.1553       
144.5708 767.9659       192.3829 66.11053 5.208719 56.46805 8.114929 9.642487 
9.642760 
1 1 1 9   -25 9  o 36.11726 6.917551  344.1692       103.3493 331.7208       
126.0635 369.6853       180.4846 36.14143 8.450788 36.09310 10.95419 
0.4832840E-01  13.83510 
1 1 1 9   -25 10 f 53.75986 5.270617  698.2274       115.3332 703.3268       
147.5155 690.2085       184.9826 54.93579 6.395924 52.58394 8.379128 2.351856 
10.54123 
1 1 1 9   -25 11 o 41.62585 6.798007  470.2676       110.1125 464.6725       
130.6665 483.9754       204.5237 43.79203 7.107066 39.45967 11.59057 4.332359 
13.59601 
1 1 1 9   -25 12 o 39.42896 7.175254  482.5587       121.2300 534.7389       
153.4977 396.0508       197.6410 44.66364 8.492362 34.19427 11.56792 10.46936 
14.35051 
1 1 1 9   -25 13 o 27.80718 6.965865  238.8649       100.8769 211.5912       
131.6521 277.6488       156.9930 26.45565 9.404072 29.15872 10.27894 -2.703072 
13.93173 
1 1 1 9   -24 0  o 92.34644 3.970508  1857.279       145.7027 1893.782       
180.4001 1788.791       247.1034 94.09722 4.566474 90.59566 6.496695 3.501556 
7.941015 
1 1 1 9   -24 1  o 56.81104 3.999399  687.7157       93.85963 640.7109       
120.7448 759.4865       149.2009 54.50888 5.276214 59.11319 6.011848 -4.604313 
7.998797 
1 1 1 9   -24 2  o 100.4726 3.836965  2208.082       158.2094 2307.500       
206.2796 2066.056       246.5519 103.6092 4.742189 97.33606 6.033311 6.273155 
7.673930 
1 1 1 9   -24 3  o 111.0900 3.912660  2732.806       175.7876 2899.383       
225.1519 2472.731       281.3311 116.0878 4.619660 106.0921 6.316199 9.995735 
7.825320 
1 1 1 9   -24 4  o 85.73743 3.447183  1572.062       120.8171 1514.266       
153.0659 1667.577       196.7737 83.93012 4.343920 87.54472 5.353751 -3.614601 
6.894366 
1 1 1 9   -24 5  o 59.23595 3.954526  759.6851       97.10654 714.0201       
126.2035 825.9563       152.0345 57.22649 5.252854 61.24541 5.912751 -4.018921 
7.909052 
1 1 1 9   -24 6  o 46.11458 4.907602  496.2451       89.75232 578.4819       
121.4526 397.3009       133.2198 51.25101 5.644499 40.97815 8.029812 10.27287 
9.815205 
1 1 1 9   -24 7  o 27.07251 6.376330  173.9275       86.62421 211.5830       
116.9756 128.2028       128.9010 29.45833 8.794446 24.68670 9.235153 4.771631 
12.75266 
1 1 1 9   -24 8  o 37.85473 6.113648  362.9593       96.07374 415.7046       
123.3798 281.7153       153.1256 42.65326 6.889902 33.05620 10.10129 9.597057 
12.22730 
1 1 1 9   -24 9  o 74.97021 4.131050  1226.906       122.6374 1157.797       
148.8025 1373.252       216.5386 72.50890 4.888099 77.43151 6.660989 -4.922607 
8.262099 
1 1 1 9   -24 10 o 53.07148 4.770147  626.5024       102.3169 561.8383       
126.1776 750.6674       174.8438 49.72001 6.044663 56.42295 7.381007 -6.702934 
9.540294 
1 1 1 9   -24 11 o 54.56345 5.374934  709.2490       121.6253 577.6494       
165.2831 864.6653       179.6179 48.62043 8.097122 60.50647 7.070804 -11.88604 
10.74987 
1 1 1 9   -24 12 o 36.75784 7.005051  366.3980       107.3021 344.4191       
133.4582 406.5829       180.4572 36.14741 8.852527 37.36828 10.85890 -1.220867 
14.01010 
1 1 1 9   -24 13 o 27.87992 7.099072  206.2609       100.3205 171.2715       
120.8849 283.6721       179.8066 25.36220 9.011722 30.39765 10.97161 -5.035454 
14.19814 
1 1 1 9   -24 14 o 23.23091 6.429967  142.6528       94.54942 182.7781       
119.0723 74.17976       155.5468 25.36734 8.950904 21.09449 9.233592 4.272850 
12.85993 
1 1 1 9   -24 15 o 20.65143 5.874639  61.28052       98.98930 200.9897       
120.4135 -229.9626      173.8563 26.01683 9.018353 15.28602 7.530925 10.73081 
11.74928 
1 1 1 9   -23 0  o 147.3976 4.836925  4775.154       280.7664 4909.438       
345.4714 4513.917       481.8574 151.3594 5.436554 143.4357 8.001702 7.923721 
9.673849 
1 1 1 9   -23 1  o 19.47081 5.813470  15.69404       79.66900 5.500549       
101.6640 31.91593       128.2497 17.92429 7.647334 21.01734 8.758084 -3.093058 
11.62694 
1 1 1 9   -23 2  o 48.91254 4.594230  495.9824       91.93190 376.0520       
117.4078 686.0375       147.7993 41.55738 6.729302 56.26771 6.256539 -14.71033 
9.188460 
1 1 1 9   -23 3  o 59.49471 4.160695  766.5089       102.4592 767.4332       
134.2973 765.2215       158.4868 59.69201 5.358857 59.29741 6.366175 0.3946037 
8.321390 
1 1 1 9   -23 4  f 68.98130 4.007199  983.9164       112.6710 845.8585       
140.2623 1235.051       189.1750 62.59319 5.337466 75.36941 5.978465 -12.77622 
8.014399 
1 1 1 9   -23 5  o 39.65092 5.388690  358.7083       87.09647 371.4486       
116.4966 342.5622       131.1468 41.03179 6.762603 38.27004 8.391608 2.761745 
10.77738 
1 1 1 9   -23 6  o 75.02573 3.720410  1212.252       116.3486 1144.859       
153.9954 1301.890       177.6014 72.71590 5.044282 77.33555 5.470011 -4.619652 
7.440820 
1 1 1 9   -23 7  o 63.85944 3.958660  888.0677       104.3045 866.5984       
134.9310 919.9466       164.4195 63.13462 5.090558 64.58425 6.063841 -1.449631 
7.917319 
1 1 1 9   -23 8  o 69.06813 4.094975  993.9628       111.4546 892.0266       
133.4312 1229.252       202.7186 63.98741 4.966883 74.14886 6.511939 -10.16145 
8.189950 
1 1 1 9   -23 9  o 29.37991 6.340342  212.0872       88.48677 268.9498       
120.1599 144.7150       130.7936 33.16319 8.570667 25.59662 9.345768 7.566572 
12.68068 
1 1 1 9   -23 10 o 23.27015 6.410039  83.52205       88.06545 33.28920       
108.7057 179.4450       150.2172 18.99743 7.997520 27.54288 10.01968 -8.545448 
12.82008 
1 1 1 9   -23 11 o 76.89276 4.113020  1292.122       121.8288 1236.659       
144.7897 1426.591       225.4485 75.10838 4.591668 78.67713 6.825271 -3.568748 
8.226040 
1 1 1 9   -23 12 o 24.84605 6.713988  140.3676       97.52352 154.3101       
127.0305 120.3547       152.1929 25.36969 9.215483 24.32241 9.766546 1.047281 
13.42798 
1 1 1 9   -23 13 o 37.70569 6.853252  384.5697       105.8119 388.0473       
129.9424 377.7255       182.2941 39.26110 8.155145 36.15028 11.01644 3.110821 
13.70650 
1 1 1 9   -23 14 o 22.88272 6.616337  108.8750       100.4620 129.8482       
125.1903 70.94067       168.3661 23.42887 9.010084 22.33657 9.691339 1.092293 
13.23267 
1 1 1 9   -23 15 f 47.93000 5.434831  584.6319       101.8512 584.6803       
128.1014 584.5487       167.9325 49.55063 6.157801 46.30936 8.957179 3.241272 
10.86966 
1 1 1 9   -23 16 o 19.86595 6.263031  18.36351       99.15211 -48.04691      
120.0703 160.7377       175.8058 15.69882 7.345079 24.03307 10.14653 -8.334248 
12.52606 
1 1 1 9   -22 0  o 104.1319 3.708048  2283.054       150.7084 2234.812       
181.4265 2390.452       270.6970 102.6644 4.209225 105.5994 6.105808 -2.935013 
7.416095 
1 1 1 9   -22 1  o 75.25586 3.607942  1208.807       113.5292 1221.431       
154.2604 1193.889       167.6880 75.74115 4.851137 74.77058 5.341859 0.9705734 
7.215884 
1 1 1 9   -22 2  o 78.54715 3.603495  1339.089       116.2782 1454.340       
153.9207 1185.881       177.4656 82.70912 4.432662 74.38517 5.682623 8.323952 
7.206990 
1 1 1 9   -22 3  o 24.21910 6.315872  106.8775       83.85812 99.47982       
110.2201 117.0455       129.2196 23.29884 8.572213 25.13937 9.277829 -1.840532 
12.63174 
1 1 1 9   -22 4  o 94.66995 3.858384  1939.201       148.7227 1988.277       
190.0939 1861.761       238.7888 96.50378 4.691860 92.83614 6.126578 3.667641 
7.716768 
1 1 1 9   -22 5  o 64.28063 3.816308  913.2947       100.0201 1079.784       
135.8035 715.9189       147.8646 71.08731 4.550300 57.47395 6.127935 13.61336 
7.632615 
1 1 1 9   -22 6  f 87.73532 3.758966  1635.556       135.3638 1548.929       
172.1920 1775.693       219.0098 84.94441 4.828356 90.52622 5.762489 -5.581810 
7.517932 
1 1 1 9   -22 7  o 38.98429 5.601330  346.7670       88.18681 304.2018       
117.6178 401.4185       133.2744 36.20572 7.953868 41.76287 7.888954 -5.557159 
11.20266 
1 1 1 9   -22 8  o 17.41877 5.485651  -32.89692      81.39605 -60.34504      
110.7321 -0.6322944     120.0551 16.02830 7.319694 18.80924 8.172610 -2.780939 
10.97130 
1 1 1 9   -22 9  o 19.16899 5.885397  -4.748860      87.19795 -39.36636      
113.6516 44.79065       135.9576 16.85813 7.600060 21.47985 8.988363 -4.621717 
11.77079 
1 1 1 9   -22 10 o 25.77275 6.484289  147.7590       88.53650 158.8777       
124.0180 136.2024       126.4360 26.37297 9.151326 25.17253 9.188974 1.200438 
12.96858 
1 1 1 9   -22 11 o 52.93156 5.028297  617.3364       109.5660 524.7147       
139.2727 767.7516       177.4825 48.03103 6.906615 57.83208 7.309840 -9.801048 
10.05659 
1 1 1 9   -22 12 o 70.73170 4.413757  1126.434       127.5238 1113.044       
162.5773 1147.846       205.5940 70.76858 5.471929 70.69483 6.926977 
0.7374573E-01  8.827515 
1 1 1 9   -22 13 o 23.86609 6.588531  118.3613       95.00125 129.0220       
122.9263 102.5511       149.6997 24.07527 9.016174 23.65692 9.609556 0.4183464 
13.17706 
1 1 1 9   -22 14 o 29.35305 6.986782  224.6385       98.12823 218.7922       
119.0614 237.0205       173.2717 29.07442 8.911766 29.63168 10.76294 
-0.5572529     13.97356 
1 1 1 9   -22 15 o 26.57790 6.712561  187.5218       94.89619 212.7539       
112.9679 127.0334       174.9099 28.49048 8.670287 24.66532 10.24988 3.825169 
13.42512 
1 1 1 9   -22 16 o 18.99928 6.128791  -25.29834      110.3321 45.33532       
158.0748 -92.39708      154.0686 20.88239 9.217124 17.11616 8.080404 3.766235 
12.25758 
1 1 1 9   -22 17 o 18.73908 6.242804  -67.34457      130.8804 -175.5107      
192.8933 24.93729       178.1680 17.12269 8.340495 20.35547 9.291206 -3.232773 
12.48561 
1 1 1 9   -21 0  o 70.48537 3.765979  1065.495       105.8696 1086.649       
131.4794 1026.489       178.5388 71.63604 4.371669 69.33470 6.133424 2.301338 
7.531958 
1 1 1 9   -21 1  o 70.42801 3.531038  1062.882       103.0479 1119.665       
137.4989 990.1202       155.6461 72.67129 4.506686 68.18473 5.437160 4.486557 
7.062077 
1 1 1 9   -21 2  o 126.9504 3.833940  3443.588       203.8574 3641.462       
284.8961 3235.974       291.8246 130.7780 5.188872 123.1227 5.645529 7.655273 
7.667881 
1 1 1 9   -21 3  o 82.15060 3.519829  1380.869       116.0387 1259.844       
141.8595 1625.586       201.7216 77.05020 4.385365 87.25101 5.506846 -10.20081 
7.039658 
1 1 1 9   -21 4  f 93.34322 3.944774  1867.093       150.1094 1876.700       
191.1361 1851.632       242.4845 93.87227 4.849829 92.81416 6.222872 1.058113 
7.889549 
1 1 1 9   -21 5  o 59.02223 4.044971  726.4606       98.76748 621.5195       
127.3002 885.1662       156.5497 53.83758 5.632025 64.20689 5.807535 -10.36930 
8.089942 
1 1 1 9   -21 6  o 118.9921 4.379073  2984.403       200.1278 2879.296       
237.2559 3243.631       372.5992 116.0860 4.868084 121.8981 7.280582 -5.812080 
8.758145 
1 1 1 9   -21 7  o 54.17490 4.398592  623.0930       98.98605 539.0132       
129.3643 741.8547       153.7469 49.86951 6.178744 58.48029 6.262072 -8.610771 
8.797183 
1 1 1 9   -21 8  o 72.73766 3.812549  1126.706       113.9682 1070.930       
145.4221 1215.502       183.4850 70.60717 4.905718 74.86813 5.837469 -4.260963 
7.625097 
1 1 1 9   -21 9  o 70.01311 3.804485  1061.930       111.6618 1139.281       
159.4272 987.4491       156.4423 72.57460 5.232374 67.45162 5.524371 5.122978 
7.608969 
1 1 1 9   -21 10 o 23.39569 6.322099  87.73584       92.16169 161.6699       
124.4945 -1.910051      137.0860 26.87317 9.181043 19.91821 8.693916 6.954960 
12.64420 
1 1 1 9   -21 11 o 51.64828 4.463871  592.2494       96.49559 595.2014       
131.7301 588.8312       141.7510 51.90330 6.045205 51.39326 6.569632 0.5100365 
8.927742 
1 1 1 9   -21 12 o 21.55439 6.147669  65.84790       86.15053 36.14823       
117.3535 100.5614       126.8731 19.83543 8.327986 23.27336 9.045442 -3.437929 
12.29534 
1 1 1 9   -21 13 o 53.75491 4.951511  666.1996       109.5492 692.7989       
143.8567 629.4811       169.0194 55.53937 6.169502 51.97044 7.746425 3.568928 
9.903023 
1 1 1 9   -21 14 o 56.84688 5.769958  789.7077       129.0447 581.4824       
184.2562 990.1653       180.7868 47.86535 9.506788 65.82841 6.541457 -17.96307 
11.53992 
1 1 1 9   -21 15 o 29.12771 7.418812  222.1341       116.1185 222.0269       
168.2053 222.2318       160.4983 29.13239 10.60218 29.12304 10.38022 
0.9353638E-02  14.83762 
1 1 1 9   -21 16 o 40.55067 7.280277  456.2744       124.2976 477.0813       
170.2296 432.5119       181.9189 42.08196 9.807466 39.01937 10.76213 3.062588 
14.56055 
1 1 1 9   -21 17 o 47.37798 7.479953  654.5824       153.8531 408.2502       
214.8056 914.0705       220.4671 35.43381 12.05979 59.32216 8.852134 -23.88835 
14.95991 
1 1 1 9   -21 18 o 26.85272 7.779307  210.5498       133.1417 284.9918       
231.9788 173.9827       162.5864 28.71612 11.86064 24.98932 10.06954 3.726799 
15.55861 
1 1 1 9   -21 19 o 34.05025 8.438304  438.8993       148.1780 452.4959       
236.8193 430.1513       189.9563 33.19872 12.49824 34.90178 11.34080 -1.703064 
16.87661 
1 1 1 9   -20 0  o 27.94645 6.404175  151.2247       84.81670 107.9988       
107.0526 224.1109       139.0107 23.93614 8.482947 31.95676 9.596534 -8.020617 
12.80835 
1 1 1 9   -20 1  o 69.21552 4.061954  1046.576       112.3240 1124.116       
142.0609 917.2512       183.4651 72.87995 4.642880 65.55108 6.666450 7.328873 
8.123909 
1 1 1 9   -20 2  o 55.74452 4.074519  671.8225       93.74878 747.9145       
126.6962 579.7460       139.3698 59.37289 5.082721 52.11615 6.369676 7.256748 
8.149038 
1 1 1 9   -20 3  o 56.19161 3.970959  682.4128       92.12506 750.5413       
123.9200 598.2383       137.7425 59.46124 4.963964 52.92198 6.199445 6.539261 
7.941917 
1 1 1 9   -20 4  o 38.46871 5.609048  323.2840       86.61791 279.8770       
112.2555 387.1574       136.1721 35.31852 7.780240 41.61891 8.081680 -6.300396 
11.21810 
1 1 1 9   -20 5  o 89.02005 3.503490  1691.702       130.4519 1827.084       
182.5536 1550.429       186.4827 92.73398 4.688919 85.30611 5.206901 7.427864 
7.006980 
1 1 1 9   -20 6  f 75.62289 3.687892  1212.172       115.1012 1177.803       
148.7396 1263.476       181.7264 74.39721 4.762019 76.84856 5.632528 -2.451355 
7.375784 
1 1 1 9   -20 7  o 108.1039 4.141098  2499.504       176.8398 2479.916       
215.9990 2539.325       307.9695 107.8728 4.769370 108.3351 6.771105 
-0.4623489     8.282195 
1 1 1 9   -20 8  o 24.15804 6.410791  103.3218       88.05353 97.64408       
124.2166 109.0565       124.8387 23.84200 9.030553 24.47408 9.101762 
-0.6320858     12.82158 
1 1 1 9   -20 9  o 51.78118 4.737584  594.0392       100.8358 646.3914       
133.9393 525.5475       153.2002 54.69164 5.833217 48.87071 7.466753 5.820930 
9.475168 
1 1 1 9   -20 10 o 80.55341 3.924304  1392.727       130.7765 1340.506       
169.6831 1469.127       205.2406 78.88587 5.123425 82.22095 5.945684 -3.335075 
7.848608 
1 1 1 9   -20 11 o 64.18352 3.867024  902.6671       102.8480 957.7177       
137.7685 833.3646       154.5764 66.61655 4.925936 61.75048 5.962436 4.866074 
7.734047 
1 1 1 9   -20 12 o 69.05081 4.336179  1030.560       123.8061 1167.212       
196.6810 940.8770       159.3347 72.59286 6.453416 65.50877 5.793378 7.084091 
8.672359 
1 1 1 9   -20 13 o 27.48925 7.151710  167.3353       108.9507 147.2872       
164.5771 182.9757       145.3644 26.85646 10.33016 28.12204 9.893214 -1.265585 
14.30342 
1 1 1 9   -20 14 o 33.10577 7.293195  266.2890       121.6361 125.0891       
168.3770 420.4038       175.9089 25.77192 10.30421 40.43962 10.32405 -14.66771 
14.58639 
1 1 1 9   -20 15 f 24.60998 7.030855  95.97813       112.6775 34.55766       
146.8369 183.9442       175.7260 21.16865 9.115584 28.05130 10.70690 -6.882656 
14.06171 
1 1 1 9   -20 16 o 30.03871 7.442516  214.8895       125.2314 79.44822       
171.1309 371.0414       183.7496 23.53943 9.977963 36.53799 11.04556 -12.99856 
14.88503 
1 1 1 9   -20 17 o 21.66306 6.686233  40.97604       115.7056 3.731000       
170.1724 72.99921       157.7927 20.84400 9.352824 22.48211 9.557590 -1.638103 
13.37247 
1 1 1 9   -20 18 o 42.46172 8.287118  552.7733       152.5676 534.6202       
232.8233 566.4347       201.9762 40.73170 12.45746 44.19173 10.93239 -3.460026 
16.57424 
1 1 1 9   -20 19 o 49.26376 7.684028  693.6081       148.1384 873.5085       
256.8626 603.9509       181.3332 52.28098 11.95691 46.24654 9.654509 6.034439 
15.36806 
1 1 1 9   -20 20 o 24.21063 7.442040  159.4745       137.0879 174.2689       
235.3733 151.8796       168.6442 24.79166 11.06492 23.62960 9.955071 1.162066 
14.88408 
1 1 1 9   -19 0  o 77.76303 3.456141  1292.443       108.7452 1335.330       
137.9216 1221.974       176.7955 79.56303 4.128973 75.96303 5.543574 3.600006 
6.912281 
1 1 1 9   -19 1  o 133.2630 3.704147  3757.617       207.0861 3736.363       
286.9932 3780.703       299.1103 132.8894 5.144017 133.6367 5.331221 
-0.7473450     7.408294 
1 1 1 9   -19 2  o 151.4120 4.351625  4818.780       273.3717 4553.735       
356.2512 5198.357       426.3301 146.5052 5.791944 156.3188 6.496149 -9.813614 
8.703250 
1 1 1 9   -19 3  o 88.07445 3.527944  1659.003       128.0890 1741.269       
168.5497 1546.547       197.0650 90.76631 4.423074 85.38258 5.497450 5.383736 
7.055887 
1 1 1 9   -19 4  o 105.7951 3.687914  2338.814       161.1636 2188.558       
207.3483 2568.120       256.1491 101.6405 4.859089 109.9497 5.549063 -8.309273 
7.375829 
1 1 1 9   -19 5  o 67.83684 3.807185  983.5771       107.3078 1020.557       
143.5265 936.7057       161.5859 69.35921 4.928890 66.31446 5.803851 3.044746 
7.614371 
1 1 1 9   -19 6  o 117.4903 3.622320  2929.095       178.4887 3109.115       
258.8401 2765.888       246.4571 120.9324 5.098119 114.0483 5.147231 6.884132 
7.244640 
1 1 1 9   -19 7  o 112.5516 3.756320  2689.063       177.0918 2870.801       
261.4529 2535.005       240.7210 116.0330 5.367017 109.0702 5.256888 6.962761 
7.512640 
1 1 1 9   -19 8  o 121.4588 3.734607  3169.479       188.5331 3320.695       
253.3430 2981.795       282.2443 124.8916 4.831664 118.0261 5.695980 6.865593 
7.469214 
1 1 1 9   -19 9  o 57.90761 4.136985  700.4357       99.04523 607.9142       
127.2835 842.4501       157.6947 53.22879 5.695691 62.58643 6.001474 -9.357632 
8.273970 
1 1 1 9   -19 10 f 52.46391 4.471689  600.2844       97.62518 644.6736       
133.1006 548.5977       143.6250 54.70620 5.795146 50.22162 6.811778 4.484581 
8.943378 
1 1 1 9   -19 11 o 38.48556 6.674843  360.0656       106.0366 287.4493       
173.9341 403.0172       133.7696 34.90494 10.78614 42.06618 7.865966 -7.161243 
13.34969 
1 1 1 9   -19 12 o 55.48307 5.618887  642.2180       125.4258 868.8110       
219.2720 532.0224       152.9122 62.04187 8.418204 48.92428 7.444556 13.11759 
11.23777 
1 1 1 9   -19 13 o 71.91650 4.750569  1110.849       139.9992 1310.780       
230.2056 993.5076       176.3607 76.63798 7.154724 67.19502 6.251523 9.442955 
9.501138 
1 1 1 9   -19 14 o 26.23934 6.762260  142.9140       103.7078 25.05175       
166.9724 216.9393       132.3268 22.43629 9.691641 30.04238 9.433174 -7.606087 
13.52452 
1 1 1 9   -19 15 o 22.07145 6.605790  43.62302       102.4336 79.43390       
168.6166 22.67688       128.9570 24.14846 10.05124 19.99443 8.574292 4.154028 
13.21158 
1 1 1 9   -19 16 o 106.5238 4.771961  2580.971       213.1511 2761.953       
308.0851 2414.800       295.2095 110.2108 6.658363 102.8367 6.837591 7.374062 
9.543922 
1 1 1 9   -19 17 o 24.13381 7.173070  87.85062       123.7614 56.03588       
173.3661 120.9129       176.7326 22.94963 9.893940 25.31799 10.38854 -2.368353 
14.34614 
1 1 1 9   -19 18 o 49.48308 7.581429  680.5110       145.9954 622.6503       
259.5093 707.3038       176.5915 44.74607 13.02809 54.22009 7.757658 -9.474014 
15.16286 
1 1 1 9   -19 19 o 28.11596 7.314045  221.6606       120.9543 67.98406       
231.4107 279.4258       141.8773 24.40362 10.92939 31.82830 9.722628 -7.424683 
14.62809 
1 1 1 9   -19 20 o 52.66357 7.121558  829.6335       140.3093 635.3144       
243.4897 926.2360       171.6788 43.24938 12.62834 62.07776 6.587212 -18.82838 
14.24312 
1 1 1 9   -19 21 o 28.77141 7.704087  138.8145       137.8638 632.0670       
249.2311 -78.65307      165.4874 40.12436 12.98640 17.41847 8.292481 22.70589 
15.40817 
1 1 1 9   -18 0  o 68.64637 3.715420  1046.875       101.0938 1201.977       
130.0296 809.8542       160.7409 75.49901 4.102251 61.79374 6.195880 13.70527 
7.430840 
1 1 1 9   -18 1  o 60.20907 3.824644  738.7950       92.86484 672.8418       
114.2023 867.5266       159.5509 56.43751 4.819788 63.98063 5.939802 -7.543118 
7.649288 
1 1 1 9   -18 2  o 54.75117 3.897180  612.7368       86.62522 555.2661       
107.4855 719.2406       146.3219 51.25491 4.995000 58.24744 5.983478 -6.992531 
7.794359 
1 1 1 9   -18 3  o 143.3737 4.207978  4363.332       241.3428 4373.940       
299.2896 4343.608       408.0944 143.8437 4.955893 142.9039 6.802017 0.9398041 
8.415956 
1 1 1 9   -18 4  o 112.2179 3.593514  2634.732       166.6195 2507.634       
215.0267 2825.725       263.5923 108.9314 4.701761 115.5044 5.435698 -6.572998 
7.187027 
1 1 1 9   -18 5  o 44.81120 5.266315  454.0400       92.99194 554.9422       
125.5288 331.3181       138.4377 51.12366 5.848475 38.49875 8.759659 12.62490 
10.53263 
1 1 1 9   -18 6  o 50.96555 4.674222  559.7200       98.88719 603.5216       
133.8519 507.0853       146.7287 53.25731 5.986408 48.67377 7.180275 4.583538 
9.348445 
1 1 1 9   -18 7  o 130.0253 4.756696  3597.253       250.8649 3536.753       
315.2837 3701.652       414.1617 128.8559 5.827982 131.1946 7.519258 -2.338699 
9.513391 
1 1 1 9   -18 8  o 43.41959 5.616332  438.1399       96.47166 555.8550       
129.5700 291.7076       144.5130 50.99813 6.051616 35.84106 9.463121 15.15707 
11.23266 
1 1 1 9   -18 9  o 124.6547 4.661249  3354.505       233.5639 3390.539       
292.1693 3290.706       388.7666 126.0250 5.522034 123.2845 7.511065 2.740456 
9.322497 
1 1 1 9   -18 10 o 18.72690 5.985527  -64.42884      100.3027 -143.0492      
163.1382 -16.64599      127.1816 18.29414 8.560246 19.15966 8.368293 
-0.8655224     11.97105 
1 1 1 9   -18 11 o 61.61285 4.870863  828.6301       124.1428 793.1874       
190.0745 854.9961       163.9394 60.26579 7.512319 62.95992 6.202120 -2.694126 
9.741727 
1 1 1 9   -18 12 o 42.14473 6.751801  407.0150       116.2262 492.5296       
177.7135 343.0995       153.6395 46.01645 9.521129 38.27302 9.575768 7.743427 
13.50360 
1 1 1 9   -18 13 o 35.40788 6.659696  313.6824       108.3854 147.0585       
172.9569 421.4288       139.0819 27.92732 10.63309 42.88844 8.021447 -14.96112 
13.31939 
1 1 1 9   -18 14 o 27.45940 6.543710  158.1095       102.6652 -14.58554      
164.3691 268.5801       131.4630 21.32760 9.408149 33.59119 9.097654 -12.26359 
13.08742 
1 1 1 9   -18 15 o 25.94133 6.879285  116.7260       114.5210 -68.32059      
186.0967 229.5160       145.2892 20.96271 9.548178 30.91996 9.906087 -9.957253 
13.75857 
1 1 1 9   -18 16 o 28.90212 7.229527  194.5706       112.8575 122.7902       
168.7204 252.6932       151.8229 25.91041 10.32995 31.89383 10.11714 -5.983421 
14.45905 
1 1 1 9   -18 17 o 72.98236 5.386018  1252.614       160.4789 1134.407       
249.0511 1336.540       209.8528 69.05224 8.590765 76.91248 6.498886 -7.860245 
10.77204 
1 1 1 9   -18 18 o 68.14127 5.463600  1113.998       144.0285 1029.452       
250.1942 1155.902       176.1419 64.57205 9.228979 71.71047 5.850611 -7.138420 
10.92720 
1 1 1 9   -18 19 o 38.31675 7.857246  453.8245       142.9401 262.9489       
265.4356 531.7857       169.6381 31.10617 12.74208 45.52733 9.196996 -14.42116 
15.71449 
1 1 1 9   -18 20 o 25.33995 7.660427  48.00772       127.0915 334.2064       
259.0839 -42.68385      145.8445 32.49590 12.84924 18.18400 8.344202 14.31190 
15.32085 
1 1 1 9   -18 21 o 23.40746 7.075234  105.5587       127.3005 -73.25360      
250.2054 168.0134       147.8701 21.55386 10.23049 25.26107 9.776139 -3.707212 
14.15047 
1 1 1 9   -18 22 o 47.51602 7.627966  701.8923       111.1205 745.0385       
306.1754 695.3470       119.2515 40.39188 14.34293 54.64017 5.198440 -14.24829 
15.25593 
1 1 1 9   -17 0  o 139.4395 4.163431  4108.714       232.6691 4081.131       
288.4865 4160.046       393.5462 138.9661 4.944674 139.9128 6.699763 
-0.9466705     8.326862 
1 1 1 9   -17 1  o 157.5892 5.068843  5348.646       312.4804 5464.788       
381.0130 5110.034       546.1260 160.6473 5.649206 154.5311 8.417789 6.116196 
10.13769 
1 1 1 9   -17 2  o 63.99051 3.657923  860.8505       96.58339 839.9362       
124.8232 892.0533       152.4656 63.06645 4.714306 64.91457 5.594365 -1.848114 
7.315846 
1 1 1 9   -17 3  o 52.56734 3.874623  574.8160       84.16880 532.3567       
108.2663 639.6824       133.8186 50.18078 5.138978 54.95391 5.800148 -4.773125 
7.749246 
1 1 1 9   -17 4  o 94.70494 3.329115  1903.171       130.2110 1947.413       
170.6444 1841.507       201.4608 96.08351 4.230234 93.32636 5.141706 2.757149 
6.658230 
1 1 1 9   -17 5  o 34.11855 5.867829  264.1502       82.23582 288.5526       
104.9003 225.2413       132.4604 36.21054 7.154854 32.02657 9.302352 4.183971 
11.73566 
1 1 1 9   -17 6  f 113.4044 4.157293  2737.217       193.0731 2772.741       
248.1334 2682.704       307.3735 114.4732 5.163006 112.3355 6.517339 2.137619 
8.314586 
1 1 1 9   -17 7  o 112.1426 3.741541  2664.961       172.7723 2666.575       
223.6222 2662.571       272.1323 112.2866 4.743600 111.9986 5.787468 0.2880402 
7.483083 
1 1 1 9   -17 8  o 130.2001 5.515805  3600.273       301.5081 0.000000       
0.000000 3600.273       301.5081 ?        ?        130.2001 5.515805 ? ? 
1 1 1 9   -17 9  o 57.16331 4.954151  661.7886       115.4616 925.6480       
190.0153 507.3343       145.3792 65.71270 6.887478 48.61391 7.122998 17.09879 
9.908302 
1 1 1 9   -17 10 o 23.88820 6.782552  32.99561       105.6567 153.5837       
169.8771 -43.08090      134.9298 28.84600 10.63935 18.93039 8.415244 9.915613 
13.56510 
1 1 1 9   -17 11 o 26.99540 6.927334  135.4057       106.4309 22.50399       
175.1792 201.4637       133.9970 23.78872 10.09005 30.20209 9.494349 -6.413370 
13.85467 
1 1 1 9   -17 12 o 44.55768 6.152689  401.5390       109.4000 645.9091       
189.3794 279.1467       134.0249 54.23775 8.316720 34.87761 9.069427 19.36014 
12.30538 
1 1 1 9   -17 13 o 56.56239 5.040269  696.3376       117.1020 705.8323       
186.1483 690.1194       150.6442 56.66156 7.825131 56.46322 6.354887 0.1983414 
10.08054 
1 1 1 9   -17 14 o 26.41875 7.027866  67.16878       107.3125 268.4842       
189.4924 -27.87878      130.2038 34.03896 11.32694 18.79854 8.322496 15.24042 
14.05573 
1 1 1 9   -17 15 o 27.94147 7.130573  162.1693       105.4315 183.5458       
168.6036 148.4433       135.1049 29.28580 10.61897 26.59714 9.519337 2.688667 
14.26115 
1 1 1 9   -17 16 o 66.45329 4.957903  976.9921       135.4495 1029.230       
216.4852 943.3875       173.6347 67.53223 7.635514 65.37435 6.326306 2.157875 
9.915807 
1 1 1 9   -17 17 o 36.46834 7.049943  338.2104       113.8853 251.9219       
169.3922 409.3857       153.8445 31.95064 10.70936 40.98603 9.171499 -9.035391 
14.09989 
1 1 1 9   -17 18 o 49.29504 6.783782  586.9517       136.9674 465.7117       
181.3051 748.1307       209.0457 42.64255 10.24070 55.94754 8.899823 -13.30499 
13.56756 
1 1 1 9   -17 19 o 39.35893 7.761149  433.6736       130.3785 365.0772       
242.2670 461.6397       154.6891 35.63568 12.74800 43.08218 8.856086 -7.446491 
15.52230 
1 1 1 9   -17 20 o 43.79622 7.972939  528.9137       142.2549 570.5139       
244.8375 507.7135       174.7837 43.54276 12.64695 44.04967 9.712145 
-0.5069046     15.94588 
1 1 1 9   -17 21 o 33.86627 8.650341  346.5367       151.9786 387.1430       
270.0922 327.7231       183.8450 34.26748 13.22262 33.46506 11.15688 0.8024254 
17.30068 
1 1 1 9   -17 22 o 32.98396 7.710332  312.0558       109.2463 370.6782       
258.5403 299.3138       120.5357 32.47669 12.83761 33.49124 8.543571 -1.014545 
15.42066 
1 1 1 9   -17 23 f 62.40438 6.951607  1076.207       137.3110 1167.350       
302.2555 1052.505       154.1340 57.91411 12.77416 66.89465 5.488177 -8.980545 
13.90321 
1 1 1 9   -16 0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -16 1  o 130.7144 3.580985  3592.235       184.0464 3557.874       
223.5228 3664.578       324.3245 129.9003 4.098573 131.5284 5.873289 -1.628067 
7.161971 
1 1 1 9   -16 2  o 111.7573 4.149400  2671.787       181.6719 2719.348       
221.4995 2574.029       317.5587 113.4844 4.648977 110.0301 6.874380 3.454330 
8.298800 
1 1 1 9   -16 3  o 142.1009 4.554069  4313.749       255.7110 4367.921       
313.8708 4206.819       440.9717 143.7147 5.202004 140.4870 7.476452 3.227676 
9.108138 
1 1 1 9   -16 4  o 209.9543 5.594847  9459.046       486.7711 9739.502       
644.7510 9087.297       742.3084 213.9028 7.179539 206.0058 8.582743 7.897064 
11.18969 
1 1 1 9   -16 5  o 78.00371 3.574989  1278.247       112.4404 1258.462       
140.1466 1313.992       188.3697 77.23347 4.322133 78.77395 5.695731 -1.540474 
7.149978 
1 1 1 9   -16 6  o 124.5668 3.801898  3289.424       197.6660 3348.127       
266.9191 3218.137       294.1435 125.8568 5.051541 123.2768 5.683279 2.580048 
7.603797 
1 1 1 9   -16 7  o 83.35161 4.628623  1482.745       160.8454 1409.028       
238.3948 1544.344       217.9211 81.37350 6.978061 85.32973 6.083031 -3.956230 
9.257246 
1 1 1 9   -16 8  o 62.35960 4.843226  834.6804       123.4033 796.7728       
196.1588 859.5094       158.7537 61.07004 7.650691 63.64917 5.940900 -2.579128 
9.686453 
1 1 1 9   -16 9  o 65.92651 4.895625  958.3538       127.8739 824.3887       
211.1461 1035.948       160.6951 61.96509 8.116281 69.88794 5.476730 -7.922852 
9.791250 
1 1 1 9   -16 10 o 163.2247 5.355983  5714.606       346.5552 5746.572       
597.8041 5698.425       425.3148 162.9550 8.738006 163.4944 6.196248 
-0.5393982     10.71197 
1 1 1 9   -16 11 o 162.3977 6.334107  5701.738       384.0785 5847.611       
737.4252 5647.437       449.9219 162.4475 10.81250 162.3479 6.601029 
0.9967041E-01  12.66821 
1 1 1 9   -16 12 o 71.30486 4.918942  1090.000       140.7781 1115.069       
237.5979 1076.439       174.7567 71.66722 7.896654 70.94248 5.867437 0.7247391 
9.837884 
1 1 1 9   -16 13 o 67.17168 4.797584  970.9740       135.0158 1060.543       
197.1847 891.9146       185.2555 70.10116 6.699910 64.24220 6.868657 5.858963 
9.595168 
1 1 1 9   -16 14 o 44.23768 6.464639  443.2323       113.2837 476.7276       
184.9028 423.1042       143.3351 45.24978 10.00004 43.22558 8.195457 2.024204 
12.92928 
1 1 1 9   -16 15 o 43.87820 6.577826  448.8324       116.0168 413.2938       
189.0586 470.2990       146.9360 41.56087 10.75514 46.19553 7.576161 -4.634663 
13.15565 
1 1 1 9   -16 16 o 40.97410 6.863922  383.6333       117.0381 544.5037       
182.7197 271.7112       152.4072 48.13461 9.376242 33.81359 10.02695 14.32102 
13.72784 
1 1 1 9   -16 17 o 26.99077 7.035910  141.1282       112.0451 31.96514       
168.1397 228.3241       150.2728 22.93651 9.811772 31.04503 10.08689 -8.108524 
14.07182 
1 1 1 9   -16 18 o 22.79287 6.635216  27.86813       113.5329 -130.3253      
168.0915 160.5765       153.9575 18.31133 8.590477 27.27441 10.11475 -8.963081 
13.27043 
1 1 1 9   -16 19 o 94.86188 5.158310  2043.339       203.2684 1943.595       
266.3894 2182.357       314.4915 92.57837 6.853754 97.14539 7.710949 -4.567024 
10.31662 
1 1 1 9   -16 20 o 29.44009 7.405214  194.3789       121.4581 79.86364       
162.7262 338.4252       182.5059 23.51159 9.835690 35.36860 11.07285 -11.85700 
14.81043 
1 1 1 9   -16 21 o 29.78152 7.717225  226.9882       143.3945 6.503747       
236.9739 354.3558       180.1113 23.91048 10.85967 35.65257 10.96767 -11.74208 
15.43445 
1 1 1 9   -16 22 o 23.72710 6.963511  111.6104       103.2964 -2.696470      
249.3261 135.2964       113.4952 23.62997 10.87119 23.82423 8.705130 
-0.1942654     13.92702 
1 1 1 9   -16 23 o 28.01522 7.273929  225.0615       104.7494 110.6588       
283.7814 243.1076       112.7087 25.87975 11.78862 30.15069 8.524593 -4.270939 
14.54786 
1 1 1 9   -16 24 o 27.24240 6.946419  226.3234       98.21699 203.4090       
201.5324 233.4612       112.4786 25.82500 10.88140 28.65981 8.637482 -2.834806 
13.89284 
1 1 1 9   -15 0  o 167.9336 5.301638  5843.013       330.5096 5680.248       
383.6157 6311.836       651.0594 163.9541 5.573079 171.9131 9.020545 -7.958984 
10.60328 
1 1 1 9   -15 1  o 223.3995 6.627758  10565.16       566.0200 10398.07       
671.4740 10975.38       1052.102 221.2618 7.228427 225.5372 11.11119 -4.275421 
13.25552 
1 1 1 9   -15 2  o 178.0610 6.761894  6728.512       505.4941 6728.512       
505.4941 0.000000       0.000000 178.0610 6.761894 ?        ?        ? ? 
1 1 1 9   -15 3  o 115.9022 3.517389  2846.053       168.9743 2893.298       
222.9879 2782.338       258.9572 117.0961 4.535862 114.7083 5.377178 2.387878 
7.034778 
1 1 1 9   -15 4  o 75.80222 3.432760  1235.719       105.3273 1306.041       
134.6169 1124.713       169.1332 78.70347 4.074053 72.90097 5.526072 5.802498 
6.865521 
1 1 1 9   -15 5  o 123.5025 4.420636  3249.570       223.6948 3299.903       
287.9424 3172.949       355.2646 124.8632 5.492779 122.1417 6.928020 2.721558 
8.841271 
1 1 1 9   -15 6  f 147.2220 5.220701  4602.914       321.3645 4464.208       
432.6249 4773.672       480.0168 144.8325 7.114866 149.6116 7.642091 -4.779129 
10.44140 
1 1 1 9   -15 7  o 103.2088 4.760561  2279.535       191.9265 2218.168       
338.0882 2308.714       233.1332 101.9420 7.899468 104.4755 5.315091 -2.533501 
9.521123 
1 1 1 9   -15 8  o 42.51577 6.055771  356.2692       103.0528 559.0078       
178.9341 255.6473       126.0582 51.12236 8.336875 33.90918 8.785554 17.21318 
12.11154 
1 1 1 9   -15 9  f 65.28110 5.395061  807.0699       135.3838 1180.727       
264.4867 674.4064       157.5952 74.23781 8.485937 56.32438 6.664501 17.91343 
10.79012 
1 1 1 9   -15 10 o 94.39687 4.081921  1868.166       159.5912 2020.674       
250.6574 1764.197       206.9604 97.53796 6.121078 91.25579 5.401917 6.282166 
8.163841 
1 1 1 9   -15 11 o 114.4634 4.796918  2807.872       207.1733 2772.943       
388.6960 2821.733       244.8516 113.5349 8.154585 115.3920 5.054152 -1.857124 
9.593837 
1 1 1 9   -15 12 o 89.04274 4.814065  1680.701       170.7466 1754.761       
294.4502 1643.180       209.5822 90.23452 7.772491 87.85096 5.682364 2.383560 
9.628130 
1 1 1 9   -15 13 o 62.30211 4.763346  821.2631       123.5894 974.8384       
187.8662 704.0885       164.0986 67.37874 6.641205 57.22549 6.830246 10.15325 
9.526692 
1 1 1 9   -15 14 o 71.07147 5.344973  1115.848       156.1247 968.2391       
235.5682 1231.474       208.4904 66.51723 8.435361 75.62572 6.566554 -9.108498 
10.68995 
1 1 1 9   -15 15 o 55.90363 6.016986  690.3211       140.8951 733.3668       
197.7986 645.9830       200.7456 57.78594 8.153087 54.02133 8.851195 3.764614 
12.03397 
1 1 1 9   -15 16 o 21.60826 6.641329  -6.897141      111.2026 19.36457       
170.2529 -26.43698      146.8566 23.10091 9.877381 20.11563 8.880673 2.985281 
13.28266 
1 1 1 9   -15 17 o 48.63263 6.620004  551.5323       129.3590 573.1180       
195.8554 534.8293       172.2852 49.25969 9.818301 48.00556 8.882499 1.254131 
13.24001 
1 1 1 9   -15 18 o 56.89602 6.057148  746.2299       140.3389 862.8789       
202.0208 637.4379       195.0985 61.89927 7.773770 51.89276 9.291108 10.00652 
12.11430 
1 1 1 9   -15 19 o 56.30779 5.176998  716.3077       121.7003 713.4215       
163.8033 719.8638       181.8242 56.39625 6.918208 56.21932 7.703482 0.1769257 
10.35400 
1 1 1 9   -15 20 o 34.46289 7.100591  280.0941       119.8211 118.1290       
161.3064 479.4784       178.9725 25.31468 10.09793 43.61110 9.985258 -18.29642 
14.20118 
1 1 1 9   -15 21 o 31.46433 7.477040  256.5652       116.3823 266.3759       
172.9412 248.4446       157.3414 31.89027 10.82097 31.03840 10.32139 0.8518715 
14.95408 
1 1 1 9   -15 22 f 42.37026 7.519625  350.9982       99.67961 755.6226       
275.8299 290.2182       106.9044 50.26853 12.98261 34.47199 7.591494 15.79654 
15.03925 
1 1 1 9   -15 23 o 29.73579 7.571295  221.3324       101.3219 281.3802       
249.3555 209.4573       110.8889 31.00653 12.48019 28.46505 8.575712 2.541481 
15.14259 
1 1 1 9   -15 24 o 36.14504 6.524353  389.7784       103.5384 254.8371       
189.2851 447.3920       123.6820 29.16342 11.11786 43.12666 6.830958 -13.96324 
13.04871 
1 1 1 9   -15 25 o 21.64589 6.135281  102.9887       94.00517 -26.26717      
152.9479 181.4598       119.1717 18.08969 8.396045 25.20209 8.948359 -7.112406 
12.27056 
1 1 1 9   -14 0  o 203.3330 6.540937  8835.833       531.3198 8901.175       
658.9078 8714.366       898.3816 204.8790 7.660346 201.7871 10.60446 3.091888 
13.08187 
1 1 1 9   -14 1  o 94.03761 3.897235  1841.679       140.2574 1806.852       
166.2690 1927.607       261.1681 92.62074 4.275866 95.45448 6.516957 -2.833733 
7.794470 
1 1 1 9   -14 2  o 134.8145 4.485180  3646.866       216.5827 3478.022       
245.8159 4232.789       457.9178 128.4562 4.558018 141.1728 7.726049 -12.71664 
8.970360 
1 1 1 9   -14 3  o 123.1535 6.684134  3214.024       345.5978 0.000000       
0.000000 3214.024       345.5978 ?        ?        123.1535 6.684134 ? ? 
1 1 1 9   -14 4  o 70.41208 3.494170  1017.950       100.7165 927.0320       
126.7734 1173.535       165.8388 66.29585 4.554732 74.52830 5.300124 -8.232445 
6.988340 
1 1 1 9   -14 5  o 144.1764 4.503809  4450.582       263.1468 4582.102       
334.1916 4235.980       426.8913 147.2084 5.407346 141.1445 7.204012 6.063858 
9.007618 
1 1 1 9   -14 6  o 43.68344 5.524732  414.7348       96.32626 411.0894       
154.3198 417.0618       123.2952 43.05129 8.841652 44.31559 6.626903 -1.264297 
11.04946 
1 1 1 9   -14 7  o 137.1871 5.750269  4025.577       330.8206 3944.487       
476.2336 4101.199       459.8959 135.7832 8.354013 138.5910 7.903977 -2.807800 
11.50054 
1 1 1 9   -14 8  o 107.6642 4.478820  2495.732       193.3242 2333.019       
319.7641 2589.470       242.7044 104.6722 7.276446 110.6562 5.224237 -5.983994 
8.957641 
1 1 1 9   -14 9  o 23.06861 6.535507  60.25765       93.09801 37.68452       
159.6310 71.89304       114.6071 23.76141 9.827971 22.37580 8.617562 1.385611 
13.07101 
1 1 1 9   -14 10 o 31.03487 7.055530  181.2141       105.4719 299.7127       
169.7335 106.6759       134.6171 36.74626 10.48421 25.32348 9.444758 11.42278 
14.11106 
1 1 1 9   -14 11 o 61.67123 4.946135  815.2997       124.9655 784.6986       
197.6743 835.6708       161.2828 60.59734 7.769939 62.74513 6.122504 -2.147793 
9.892270 
1 1 1 9   -14 12 o 22.29165 6.716417  4.262508       111.2566 -57.67634      
176.0558 45.44294       143.5536 21.63262 9.614623 22.95069 9.380835 -1.318069 
13.43283 
1 1 1 9   -14 13 o 43.15601 6.519361  419.8501       114.6131 386.4315       
163.6996 451.9838       160.5219 41.33936 9.606548 44.97266 8.816037 -3.633305 
13.03872 
1 1 1 9   -14 14 o 121.3519 5.809088  3194.552       295.9032 3188.425       
414.2904 3200.932       422.7794 121.2703 8.137136 121.4335 8.292710 
-0.1632004     11.61818 
1 1 1 9   -14 15 o 63.89673 5.291490  892.1309       139.5735 837.3734       
213.8452 932.7692       184.2240 61.96840 8.219593 65.82507 6.666164 -3.856670 
10.58298 
1 1 1 9   -14 16 o 64.39194 5.222494  915.3641       138.8877 768.6609       
202.6528 1045.304       190.7234 59.20598 8.152824 69.57789 6.529107 -10.37191 
10.44499 
1 1 1 9   -14 17 o 39.74080 7.149939  356.7040       121.9648 517.0464       
187.0809 238.1799       160.8453 47.11267 9.784617 32.36892 10.42822 14.74376 
14.29988 
1 1 1 9   -14 18 o 73.01251 4.779011  1131.082       141.1806 1312.151       
239.8421 1035.077       174.6431 77.01912 7.417334 69.00591 6.028179 8.013214 
9.558022 
1 1 1 9   -14 19 o 23.72250 6.672798  74.11655       103.6424 -4.199986      
148.2710 148.9445       144.9310 20.63033 9.022854 26.81466 9.833262 -6.184330 
13.34560 
1 1 1 9   -14 20 o 37.95768 6.950711  357.5478       112.1733 319.0563       
162.8745 392.2788       154.7139 35.76916 10.29121 40.14619 9.345618 -4.377037 
13.90142 
1 1 1 9   -14 21 o 24.32853 6.755993  76.70860       113.2338 -81.61283      
167.8144 209.0431       153.4249 19.26159 8.884095 29.39546 10.18070 -10.13388 
13.51199 
1 1 1 9   -14 22 o 34.09316 7.606208  312.2190       123.2285 264.2311       
189.4240 347.4289       162.2561 31.76110 11.28125 36.42523 10.20544 -4.664133 
15.21242 
1 1 1 9   -14 23 o 40.52011 6.703547  446.2638       106.4876 360.0876       
202.3610 479.2659       125.2288 35.41337 11.70524 45.62685 6.537395 -10.21348 
13.40709 
1 1 1 9   -14 24 o 49.93543 6.093296  634.5654       115.0140 607.7735       
200.0805 647.7877       140.5581 47.02873 10.41016 52.84214 6.335731 -5.813408 
12.18659 
1 1 1 9   -14 25 f 18.93458 5.975051  13.29772       95.33733 -1.276799      
150.6247 23.03922       123.1437 19.23478 8.706199 18.63438 8.185782 0.6003952 
11.95010 
1 1 1 9   -14 26 o 18.46784 5.971245  2.722995       102.2682 -44.14277      
175.6432 26.76012       125.7896 18.61497 8.741643 18.32071 8.136753 0.2942524 
11.94249 
1 1 1 9   -13 0  o 188.1135 5.917458  7366.144       390.9885 7256.853       
443.1070 7750.469       830.9386 185.5101 5.689342 190.7168 10.37770 -5.206696 
11.83492 
1 1 1 9   -13 1  o 95.85150 3.243926  1937.453       126.5469 1946.209       
160.5676 1923.098       205.5940 96.17484 3.976651 95.52817 5.126253 0.6466675 
6.487852 
1 1 1 9   -13 2  o 202.7911 6.032267  8707.674       497.4799 8632.972       
628.6611 8832.820       813.6917 201.9140 7.416024 203.6683 9.516068 -1.754227 
12.06453 
1 1 1 9   -13 3  o 90.74471 3.360137  1732.252       122.5798 1724.693       
152.5971 1746.003       205.8131 90.51651 4.015500 90.97292 5.388676 
-0.4564056     6.720273 
1 1 1 9   -13 4  o 104.6285 3.794863  2277.746       156.2891 2218.712       
189.2720 2404.263       277.0819 102.6212 4.393095 106.6359 6.189077 -4.014687 
7.589727 
1 1 1 9   -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -13 6  o 182.0527 5.473626  7059.192       417.6454 6573.960       
589.5413 7548.058       591.7444 175.6851 7.992828 188.4204 7.480443 -12.73532 
10.94725 
1 1 1 9   -13 7  f 178.5094 5.997692  6695.243       417.0091 7119.054       
754.4177 6508.781       500.4051 181.9463 9.876195 175.0725 6.808082 6.873825 
11.99538 
1 1 1 9   -13 8  o 66.39573 4.483096  944.9404       123.6353 840.0261       
181.5471 1035.679       168.8374 62.86074 6.879089 69.93072 5.750714 -7.069973 
8.966191 
1 1 1 9   -13 9  o 121.3286 4.795902  3096.427       239.1262 2975.886       
305.5893 3286.814       384.0521 118.4507 6.144993 124.2065 7.364901 -5.755753 
9.591804 
1 1 1 9   -13 10 o 62.57420 4.638528  831.7293       119.9442 830.0476       
186.7182 832.9108       156.5063 62.45629 7.120844 62.69212 5.946204 
-0.2358284     9.277056 
1 1 1 9   -13 11 o 83.66748 4.819375  1485.745       168.4981 1511.304       
251.6180 1464.965       226.8819 84.27254 7.111753 83.06243 6.506032 1.210106 
9.638749 
1 1 1 9   -13 12 o 22.08813 6.686069  -35.69879      112.6533 79.61150       
174.3414 -118.3559      147.6069 26.23285 10.48653 17.94341 8.297396 8.289440 
13.37214 
1 1 1 9   -13 13 o 55.37132 5.875432  678.1625       129.9433 603.4138       
199.5351 733.2088       171.2304 52.10327 9.471395 58.63937 6.955250 -6.536102 
11.75086 
1 1 1 9   -13 14 o 29.30810 7.317290  158.5531       119.8595 32.78252       
184.3656 250.6252       157.7446 24.92899 10.45114 33.68722 10.24425 -8.758236 
14.63458 
1 1 1 9   -13 15 o 52.78847 6.253951  637.7833       130.5549 474.8656       
193.6669 773.4897       176.7549 45.57487 10.35447 60.00206 7.016593 -14.42720 
12.50790 
1 1 1 9   -13 16 o 91.02414 4.881083  1790.686       185.7635 1614.296       
263.4478 1965.111       261.9771 86.42741 7.260459 95.62088 6.525767 -9.193474 
9.762167 
1 1 1 9   -13 17 f 100.2084 5.436627  2172.638       225.8309 2295.786       
351.9505 2086.450       294.4365 102.3513 8.190480 98.06560 7.151482 4.285690 
10.87325 
1 1 1 9   -13 18 o 77.71617 4.666836  1304.768       151.7426 1387.554       
226.3230 1237.163       204.5221 79.88619 6.748047 75.54615 6.448356 4.340042 
9.333673 
1 1 1 9   -13 19 o 58.55025 4.813344  751.7672       118.2729 748.2384       
169.3660 755.1260       165.2366 58.37798 6.910322 58.72253 6.702281 
-0.3445511     9.626688 
1 1 1 9   -13 20 o 31.58611 7.075373  225.1183       109.5086 332.3796       
161.2983 133.4042       149.1511 36.96566 10.10666 26.20657 9.904498 10.75909 
14.15075 
1 1 1 9   -13 21 o 71.26441 4.966579  1117.096       147.0683 1324.343       
228.2185 969.9086       192.3285 76.76460 7.081267 65.76422 6.965866 11.00038 
9.933158 
1 1 1 9   -13 22 o 62.00918 6.016370  845.8501       146.3875 1290.966       
243.1312 592.7280       183.3450 74.76685 7.745557 49.25151 9.208323 25.51534 
12.03274 
1 1 1 9   -13 23 o 90.02861 4.879700  1856.183       162.9683 1861.855       
311.4095 1854.043       191.2475 88.26674 8.403416 91.79049 4.962712 -3.523750 
9.759400 
1 1 1 9   -13 24 o 20.62831 6.424684  10.11022       94.43163 89.25512       
188.5913 -16.37304      109.0928 24.40651 10.41440 16.85012 7.526396 7.556383 
12.84937 
1 1 1 9   -13 25 o 53.00692 5.118274  694.2775       105.3105 579.9586       
165.8306 771.5395       136.3291 47.73553 8.587255 58.27832 5.571891 -10.54279 
10.23655 
1 1 1 9   -13 26 o 33.65747 7.007194  336.4685       103.9956 292.8564       
196.3713 353.4676       122.5993 30.50482 11.40126 36.81013 8.149499 -6.305319 
14.01439 
1 1 1 9   -13 27 o 24.39194 6.799118  62.75957       100.9782 401.7762       
197.1164 -57.86227      117.5778 33.46608 11.54451 15.31780 7.185850 18.14828 
13.59824 
1 1 1 9   -12 0  o 234.2434 7.301317  11261.14       612.7038 10913.04       
697.8789 12431.79       1279.800 227.3157 7.312598 241.1711 12.63973 -13.85536 
14.60263 
1 1 1 9   -12 1  o 31.84636 5.334529  234.6574       77.98267 350.2554       
102.0630 72.51339       120.8771 40.76062 5.964150 22.93210 8.846338 17.82852 
10.66906 
1 1 1 9   -12 2  o 75.33493 3.451012  1161.717       104.5126 1086.701       
128.4687 1308.526       179.7205 71.86636 4.257874 78.80350 5.432169 -6.937141 
6.902025 
1 1 1 9   -12 3  o 90.13145 3.584104  1690.090       126.9915 1652.087       
153.7105 1771.805       225.3957 88.60896 4.131872 91.65393 5.857545 -3.044968 
7.168208 
1 1 1 9   -12 4  o 178.5061 5.922835  6689.705       439.7464 6276.673       
576.9912 7262.085       679.2336 172.0867 7.986252 184.9255 8.748697 -12.83885 
11.84567 
1 1 1 9   -12 5  o 134.0353 5.141771  3769.643       276.4980 3924.531       
469.7407 3687.528       342.0265 135.9557 8.229657 132.1149 6.166360 3.840775 
10.28354 
1 1 1 9   -12 6  o 171.4947 9.851966  6286.194       709.3368 0.000000       
0.000000 6286.194       709.3368 ?        ?        171.4947 9.851966 ? ? 
1 1 1 9   -12 7  o 239.8951 11.68095  12427.27       1176.464 12427.27       
1176.464 0.000000       0.000000 239.8951 11.68095 ?        ?        ? ? 
1 1 1 9   -12 8  o 123.1246 4.961260  3212.939       256.1512 3096.055       
351.8810 3344.696       373.5986 120.7623 6.940417 125.4869 7.091334 -4.724602 
9.922521 
1 1 1 9   -12 9  o 89.94942 4.506758  1704.110       167.4239 1782.420       
263.9783 1651.411       216.5501 91.59119 6.864923 88.30765 5.840917 3.283539 
9.013516 
1 1 1 9   -12 10 o 175.1973 6.067798  6574.228       444.2358 6560.928       
660.1778 6585.235       600.5373 174.8654 8.992452 175.5291 8.149141 
-0.6637268     12.13560 
1 1 1 9   -12 11 o 46.48872 6.231223  465.2425       117.4971 692.4050       
177.3062 287.3770       156.8922 57.00839 7.408090 35.96905 10.02162 21.03934 
12.46245 
1 1 1 9   -12 12 o 68.44967 4.955382  1003.145       139.7352 771.2454       
194.5999 1249.996       200.7756 60.13363 7.708080 76.76571 6.229666 -16.63208 
9.910764 
1 1 1 9   -12 13 o 122.0044 6.047845  3165.796       308.6593 2879.012       
416.6877 3514.478       459.4605 115.9236 8.561694 128.0851 8.544186 -12.16146 
12.09569 
1 1 1 9   -12 14 f 100.0258 4.601848  2122.311       192.9184 2302.999       
280.4524 1960.018       265.7932 104.0740 6.418567 95.97770 6.596211 8.096275 
9.203695 
1 1 1 9   -12 15 o 178.1974 7.569695  6945.643       564.3268 7081.828       
836.8098 6832.044       764.2711 179.5153 11.10316 176.8794 10.29180 2.635818 
15.13939 
1 1 1 9   -12 16 o 83.09318 4.459676  1483.749       153.5139 1424.753       
234.3073 1528.120       203.2028 81.50404 6.847434 84.68232 5.715549 -3.178284 
8.919353 
1 1 1 9   -12 17 f 55.21604 5.764436  687.5884       126.4951 573.1388       
191.0142 776.9841       168.8173 50.33078 9.388982 60.10130 6.690433 -9.770515 
11.52887 
1 1 1 9   -12 18 o 73.01392 4.721991  1155.448       144.0475 1099.210       
210.9698 1204.565       197.1587 71.22457 7.055237 74.80325 6.277931 -3.578682 
9.443981 
1 1 1 9   -12 19 o 57.14025 5.170779  694.7754       122.2288 603.0103       
157.3542 834.3777       194.0824 52.56725 7.129910 61.71325 7.490809 -9.146004 
10.34156 
1 1 1 9   -12 20 o 94.88699 4.167809  1955.871       165.4886 1995.209       
226.5871 1910.898       242.2717 96.05049 5.618970 93.72350 6.157086 2.326996 
8.335618 
1 1 1 9   -12 21 o 28.28980 6.717763  140.5156       117.0555 -104.2324      
177.5937 328.5198       155.6509 19.74959 9.120637 36.83001 9.865461 -17.08043 
13.43553 
1 1 1 9   -12 22 o 42.76105 7.226418  456.2298       127.8498 434.2175       
188.2298 475.0826       174.1983 41.45704 10.73307 44.06505 9.679139 -2.608013 
14.45284 
1 1 1 9   -12 23 o 77.07806 4.452068  1276.178       130.8465 1465.842       
248.6783 1203.566       153.8682 79.94652 7.408995 74.20960 4.938668 5.736916 
8.904137 
1 1 1 9   -12 24 o 23.01993 6.743938  25.71663       99.48459 211.4399       
190.0412 -44.39182      116.7615 29.39946 11.15980 16.64040 7.575063 12.75906 
13.48788 
1 1 1 9   -12 25 o 29.10963 7.191243  186.8358       99.43000 332.2190       
190.7460 132.5932       116.5115 34.21673 11.36435 24.00253 8.815182 10.21420 
14.38249 
1 1 1 9   -12 26 o 31.57061 6.559540  281.9742       96.35394 189.1986       
165.7826 329.3009       118.4064 27.05310 10.37812 36.08812 8.025260 -9.035015 
13.11908 
1 1 1 9   -12 27 o 23.84831 6.679101  141.2012       98.25179 104.2870       
173.8014 158.5388       119.1107 23.14586 9.940876 24.55075 8.923037 -1.404892 
13.35820 
1 1 1 9   -12 28 o 27.90697 6.322636  255.9280       106.6832 -20.74322      
206.0768 357.2228       124.6926 20.03601 9.425452 35.77793 8.429932 -15.74192 
12.64527 
1 1 1 9   -11 0  o 49.71469 4.189483  541.7671       83.22011 608.7779       
106.9926 439.1341       132.4113 53.79509 4.737313 45.63430 6.911219 8.160797 
8.378966 
1 1 1 9   -11 1  o 143.4238 4.675297  4216.922       238.2988 4115.956       
270.7572 4563.924       501.9449 139.8793 4.610496 146.9683 8.134921 -7.089035 
9.350595 
1 1 1 9   -11 2  o 79.15118 3.615856  1336.021       116.9298 1401.731       
151.1919 1238.222       184.4509 81.63249 4.411503 76.66986 5.730296 4.962631 
7.231711 
1 1 1 9   -11 3  o 64.13277 4.464761  849.3451       118.9648 1017.302       
184.2324 729.2255       155.8020 69.45818 6.317767 58.80734 6.310483 10.65084 
8.929523 
1 1 1 9   -11 4  o 140.9756 4.593062  4205.742       270.5635 4337.690       
368.7425 4051.852       398.2252 143.4183 6.124063 138.5328 6.846950 4.885468 
9.186124 
1 1 1 9   -11 5  o 89.02017 4.341883  1661.440       161.6525 1555.046       
217.2964 1793.290       241.8999 85.85733 6.028318 92.18302 6.250372 -6.325691 
8.683765 
1 1 1 9   -11 6  o 230.0163 7.255156  11195.94       697.8806 10117.48       
941.1440 12513.29       1040.174 217.7952 10.29269 242.2374 10.22789 -24.44220 
14.51031 
1 1 1 9   -11 7  o 40.82673 5.734442  391.6313       97.34312 154.2237       
142.0680 601.7242       133.6456 28.27686 9.796330 53.37660 5.963825 -25.09974 
11.46888 
1 1 1 9   -11 8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -11 9  o 71.34050 4.179456  1092.746       123.2698 937.8592       
181.7536 1224.680       167.7471 66.53088 6.507002 76.15012 5.246934 -9.619240 
8.358912 
1 1 1 9   -11 10 o 145.8812 5.743720  4539.332       336.4891 4543.975       
564.6772 4536.775       419.0081 145.5944 9.237974 146.1680 6.827963 
-0.5736237     11.48744 
1 1 1 9   -11 11 o 159.0137 6.700420  5420.910       444.4240 5304.979       
593.0099 5569.455       671.2594 157.2706 8.981221 160.7567 9.945862 -3.486023 
13.40084 
1 1 1 9   -11 12 o 139.2276 5.297637  4124.470       301.3277 4099.932       
383.8597 4163.868       486.4022 138.9303 6.581073 139.5249 8.303572 
-0.5946045     10.59527 
1 1 1 9   -11 13 o 87.14642 4.981090  1615.679       182.2245 1638.138       
257.2580 1593.064       258.1530 87.76442 6.981865 86.52842 7.106235 1.236000 
9.962179 
1 1 1 9   -11 14 o 110.1190 5.431118  2570.208       247.4486 2685.206       
387.6227 2491.109       321.4764 112.0507 8.239781 108.1874 7.077724 3.863319 
10.86224 
1 1 1 9   -11 15 o 79.13586 4.625248  1329.029       148.9895 1343.445       
242.8916 1320.333       188.6484 79.35502 7.290532 78.91670 5.693841 0.4383163 
9.250496 
1 1 1 9   -11 16 o 63.82319 5.020182  868.6537       134.1267 966.4689       
194.8722 780.6038       184.8890 67.26011 6.901020 60.38627 7.292793 6.873840 
10.04036 
1 1 1 9   -11 17 o 141.2527 6.286824  4331.840       370.8880 4414.276       
555.4334 4265.505       498.2443 142.2308 9.301635 140.2746 8.460274 1.956238 
12.57365 
1 1 1 9   -11 18 o 80.87927 4.535558  1393.862       150.6687 1453.528       
241.3693 1355.770       192.8572 82.11622 7.001227 79.64232 5.767838 2.473900 
9.071115 
1 1 1 9   -11 19 o 111.6919 4.973982  2703.231       232.9786 2721.348       
322.6591 2683.496       336.7559 112.1717 6.851437 111.2120 7.212477 0.9596634 
9.947965 
1 1 1 9   -11 20 o 96.11187 4.669133  2005.986       188.0080 1989.901       
274.1788 2020.261       258.2982 95.63831 6.828465 96.58543 6.369872 
-0.9471283     9.338266 
1 1 1 9   -11 21 o 24.52545 7.019385  78.21260       111.4471 61.56055       
148.8696 99.44362       168.0961 23.28325 9.540877 25.76765 10.29848 -2.484404 
14.03877 
1 1 1 9   -11 22 f 63.46667 5.040323  889.6957       133.4040 759.4555       
180.9948 1044.605       197.3935 58.28092 7.397089 68.65243 6.848541 -10.37151 
10.08065 
1 1 1 9   -11 23 f 33.80372 7.028949  290.8830       103.0565 225.9893       
198.1430 314.9477       120.6612 31.16267 11.49077 36.44477 8.098557 -5.282101 
14.05790 
1 1 1 9   -11 24 o 29.44606 7.164312  206.1364       99.50038 207.2790       
197.2093 205.7462       115.2442 29.82592 11.35467 29.06621 8.739622 0.7597103 
14.32862 
1 1 1 9   -11 25 o 48.67008 6.248192  627.4425       107.4708 476.2068       
201.6426 687.4486       127.0145 41.75352 11.24892 55.58665 5.442566 -13.83313 
12.49638 
1 1 1 9   -11 26 o 55.01653 5.908002  747.4164       117.1289 727.1159       
218.6959 755.5816       138.6986 52.22553 10.34204 57.80753 5.714901 -5.581993 
11.81600 
1 1 1 9   -11 27 o 27.38713 6.923269  202.0603       96.41486 133.2602       
212.6379 219.8658       108.1738 25.68847 11.01296 29.08579 8.392937 -3.397326 
13.84654 
1 1 1 9   -11 28 o 42.30777 6.912066  508.4062       110.2684 514.6085       
218.9966 506.2997       127.6275 38.90705 12.11918 45.70850 6.650719 -6.801445 
13.82413 
1 1 1 9   -11 29 o 25.03301 7.335854  174.8773       113.0108 257.8174       
230.7367 148.7019       129.6226 26.89584 11.49937 23.17018 9.111727 3.725662 
14.67171 
1 1 1 9   -10 0  o 48.75906 5.430569  504.8477       104.5436 726.0297       
157.5208 330.7281       139.7613 58.71282 6.390371 38.80529 8.782225 19.90753 
10.86114 
1 1 1 9   -10 1  o 206.7902 7.499016  9019.044       651.0483 0.000000       
0.000000 9019.044       651.0483 ?        ?        206.7902 7.499016 ? ? 
1 1 1 9   -10 2  o 187.5488 7.084718  7416.589       557.8480 0.000000       
0.000000 7416.589       557.8480 ?        ?        187.5488 7.084718 ? ? 
1 1 1 9   -10 3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -10 4  o 287.2802 10.43039  17516.11       1258.012 0.000000       
0.000000 17516.11       1258.012 ?        ?        287.2802 10.43039 ? ? 
1 1 1 9   -10 5  o 157.1901 7.959324  5223.309       525.2673 0.000000       
0.000000 5223.309       525.2673 ?        ?        157.1901 7.959324 ? ? 
1 1 1 9   -10 6  o 179.2671 9.776708  6825.744       735.8210 0.000000       
0.000000 6825.744       735.8210 ?        ?        179.2671 9.776708 ? ? 
1 1 1 9   -10 7  o 180.2039 6.090797  6930.476       457.6645 6377.174       
669.4129 7416.081       627.1254 173.2777 9.201791 187.1300 7.982373 -13.85225 
12.18159 
1 1 1 9   -10 8  o 75.37239 4.760859  1201.020       147.3412 1201.561       
234.1368 1200.665       189.5878 75.33022 7.403235 75.41457 5.987923 
-0.8434296E-01 9.521718 
1 1 1 9   -10 9  o 30.83992 6.906828  177.6246       107.0736 312.2975       
159.6029 67.40508       144.3876 37.56377 9.957294 24.11606 9.574413 13.44771 
13.81366 
1 1 1 9   -10 10 f 171.0839 10.68211  6291.105       767.2649 6291.105       
767.2649 0.000000       0.000000 171.0839 10.68211 ?        ?        ? ? 
1 1 1 9   -10 11 o 100.0414 5.080078  2126.763       213.3508 2132.703       
303.8285 2120.984       299.6617 100.1723 7.224400 99.91037 7.144005 0.2619781 
10.16016 
1 1 1 9   -10 12 o 85.87114 4.438464  1521.388       154.0309 1719.446       
261.6473 1416.343       190.5487 89.93418 6.929670 81.80810 5.547928 8.126083 
8.876927 
1 1 1 9   -10 13 o 86.63721 4.392837  1579.777       158.6452 1694.674       
242.1402 1493.362       209.9943 89.33900 6.455754 83.93542 5.959135 5.403580 
8.785673 
1 1 1 9   -10 14 o 23.35414 6.692843  40.34137       104.2843 102.6535       
151.4278 -15.87159      143.8261 25.99656 9.934332 20.71173 8.971378 5.284834 
13.38569 
1 1 1 9   -10 15 o 47.54070 6.551092  463.3218       125.5908 654.0931       
208.9576 355.4330       157.1411 55.20626 9.015521 39.87513 9.507239 15.33113 
13.10218 
1 1 1 9   -10 16 o 30.34793 7.438298  174.6219       111.5759 218.1639       
189.2999 151.4423       138.1178 32.89044 11.31645 27.80542 9.656660 5.085018 
14.87660 
1 1 1 9   -10 17 o 68.79858 5.083772  990.7388       144.9851 1240.628       
222.8432 807.3197       190.9186 76.19910 6.965796 61.39807 7.406526 14.80103 
10.16754 
1 1 1 9   -10 18 o 24.87851 7.074894  71.14005       113.4435 30.30284       
176.6466 99.80447       147.9956 24.30628 10.21187 25.45073 9.794602 -1.144453 
14.14979 
1 1 1 9   -10 19 o 53.57470 6.103890  642.4691       130.4962 829.0676       
187.5133 467.2187       181.7219 61.96628 7.207717 45.18311 9.852852 16.78317 
12.20778 
1 1 1 9   -10 20 o 125.0314 5.911873  3432.136       310.1256 3294.107       
438.5185 3570.247       438.6491 122.4019 8.533372 127.6608 8.184285 -5.258865 
11.82375 
1 1 1 9   -10 21 f 24.34403 7.033454  67.19348       113.1162 61.56075       
172.8055 71.41651       149.6271 24.77534 10.23510 23.91273 9.649907 0.8626041 
14.06691 
1 1 1 9   -10 22 o 52.37419 5.636692  626.7794       107.0506 599.8891       
200.3857 637.5186       126.6356 50.45876 9.809198 54.28962 5.555972 -3.830864 
11.27338 
1 1 1 9   -10 23 o 80.96945 4.316564  1406.784       129.5683 1507.858       
254.0562 1371.253       150.6301 82.08864 7.371701 79.85027 4.493207 2.238365 
8.633127 
1 1 1 9   -10 24 o 42.79118 6.359982  532.4990       102.2118 238.5499       
201.2117 634.7318       118.6621 31.67498 11.58912 53.90739 5.243062 -22.23241 
12.71996 
1 1 1 9   -10 25 o 49.45126 5.461083  564.3171       103.4590 596.2868       
181.2318 548.8619       126.0092 49.34116 9.089530 49.56136 6.055920 
-0.2202034     10.92217 
1 1 1 9   -10 26 o 30.90353 7.258232  234.6641       101.7451 288.8639       
194.8825 214.3551       119.2940 32.61071 11.45673 29.19635 8.914654 3.414364 
14.51646 
1 1 1 9   -10 27 o 40.46531 6.904157  457.4764       110.5954 367.5742       
215.7469 489.5211       128.8063 35.06858 12.07964 45.86205 6.689672 -10.79347 
13.80831 
1 1 1 9   -10 28 o 30.13117 7.582798  227.5088       107.1443 364.7918       
219.1495 184.3858       122.8248 33.79523 12.12105 26.46711 9.114573 7.328119 
15.16560 
1 1 1 9   -10 29 o 19.18988 6.358433  -33.87859      112.7137 35.60073       
218.6174 -59.03428      131.5452 22.05691 10.16071 16.32285 7.647131 5.734064 
12.71687 
1 1 1 9   -9  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -9  1  o 276.7551 12.78823  16271.37       1485.884 16271.37       
1485.884 0.000000       0.000000 276.7551 12.78823 ?        ?        ? ? 
1 1 1 9   -9  2  o 265.3561 9.767520  14888.88       1088.159 14888.88       
1088.159 0.000000       0.000000 265.3561 9.767520 ?        ?        ? ? 
1 1 1 9   -9  3  o 247.1024 8.830198  12898.13       916.0651 12898.13       
916.0651 0.000000       0.000000 247.1024 8.830198 ?        ?        ? ? 
1 1 1 9   -9  4  o 153.4310 6.392529  4959.057       411.7796 4959.057       
411.7796 0.000000       0.000000 153.4310 6.392529 ?        ?        ? ? 
1 1 1 9   -9  5  o 108.5965 5.845747  2483.478       266.5230 2483.478       
266.5230 0.000000       0.000000 108.5965 5.845747 ?        ?        ? ? 
1 1 1 9   -9  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -9  7  o 222.2129 11.99018  10535.75       1118.598 0.000000       
0.000000 10535.75       1118.598 ?        ?        222.2129 11.99018 ? ? 
1 1 1 9   -9  8  o 48.13583 7.488334  489.9318       151.3326 0.000000       
0.000000 489.9318       151.3326 ?        ?        48.13583 7.488334 ? ? 
1 1 1 9   -9  9  o 71.23168 4.785293  1072.328       141.4008 1072.792       
217.3632 1071.987       186.1804 71.20774 7.270761 71.25562 6.223516 
-0.4788208E-01 9.570586 
1 1 1 9   -9  10 o 58.04382 5.041520  712.2259       122.7352 686.0901       
169.0508 741.3588       178.4804 56.92368 7.073678 59.16396 7.185455 -2.240276 
10.08304 
1 1 1 9   -9  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -9  12 o 61.47241 5.067514  799.6467       127.0629 815.7005       
206.5268 789.8691       161.1774 61.88342 7.949195 61.06140 6.287217 0.8220177 
10.13503 
1 1 1 9   -9  13 o 24.81764 6.811631  85.63899       101.5486 94.32930       
147.7737 77.86320       139.7822 25.42033 9.786350 24.21495 9.477374 1.205383 
13.62326 
1 1 1 9   -9  14 o 149.9732 5.816970  4854.701       332.1284 4698.377       
610.6029 4920.386       395.8022 147.6475 9.850401 152.2989 6.190168 -4.651443 
11.63394 
1 1 1 9   -9  15 o 56.30877 5.181866  657.6950       117.2506 735.2277       
201.4028 617.9457       144.2077 58.65508 8.178638 53.96246 6.365284 4.692619 
10.36373 
1 1 1 9   -9  16 o 47.85367 6.733539  510.4598       130.2930 488.0511       
189.8207 530.4232       179.1649 46.72672 9.970018 48.98061 9.053226 -2.253891 
13.46708 
1 1 1 9   -9  17 o 85.99483 5.245963  1574.106       189.0442 1643.318       
277.8539 1514.453       257.9519 87.72626 7.544107 84.26339 7.291566 3.462875 
10.49193 
1 1 1 9   -9  18 o 117.1589 5.034662  2935.492       247.6270 2938.472       
348.3880 2932.449       352.0354 117.2316 7.078473 117.0862 7.161460 0.1453552 
10.06932 
1 1 1 9   -9  19 o 42.25578 6.898043  410.8002       126.0263 558.2774       
173.1048 244.4730       183.8350 50.80544 8.115587 33.70612 11.15658 17.09932 
13.79609 
1 1 1 9   -9  20 o 78.25768 4.929575  1315.125       161.5975 1399.133       
238.5320 1243.860       219.6952 80.53368 7.054889 75.98167 6.887044 4.552002 
9.859150 
1 1 1 9   -9  21 o 134.3908 5.975161  3978.526       334.6222 4041.506       
449.3943 3900.156       501.3046 135.9888 7.871280 132.7927 8.991837 3.196075 
11.95032 
1 1 1 9   -9  22 f 88.27192 4.180328  1620.993       143.2875 1845.580       
264.3396 1527.546       170.5112 92.02940 6.841584 84.51443 4.805551 7.514969 
8.360657 
1 1 1 9   -9  23 o 34.94721 6.899502  308.0897       102.8935 199.3290       
199.9070 347.2872       120.0111 30.91888 11.51386 38.97554 7.605491 -8.056652 
13.79900 
1 1 1 9   -9  24 o 69.38706 4.586272  1102.513       120.7194 962.9702       
215.4275 1166.390       145.7539 65.25171 7.863761 73.52242 4.721950 -8.270706 
9.172544 
1 1 1 9   -9  25 o 42.68391 6.381773  439.9846       102.4440 427.0278       
192.8116 445.0810       120.9246 40.71497 11.01365 44.65285 6.450397 -3.937881 
12.76355 
1 1 1 9   -9  26 o 23.51291 6.356597  100.8613       98.83273 -128.9233      
191.9328 183.7757       115.2932 19.49379 9.151387 27.53204 8.824820 -8.038244 
12.71319 
1 1 1 9   -9  27 o 43.11497 6.776903  447.9485       108.0942 535.6920       
216.8537 418.9391       124.6891 43.72598 11.61382 42.50397 6.987474 1.222015 
13.55381 
1 1 1 9   -9  28 o 25.80541 7.289050  136.6426       104.6938 212.0661       
217.8227 113.9845       119.3882 28.73432 11.62351 22.87651 8.798573 5.857807 
14.57810 
1 1 1 9   -9  29 o 22.77120 6.417407  107.5672       101.8324 -79.14554      
192.6887 179.9231       119.9517 19.46998 9.146055 26.07241 9.004560 -6.602434 
12.83481 
1 1 1 9   -9  30 o 68.61022 5.996793  1249.716       155.7214 1283.669       
283.2027 1235.001       186.4352 65.75692 10.25834 71.46352 6.213904 -5.706604 
11.99359 
1 1 1 9   -8  0  o 226.1919 4.817074  10788.64       438.6791 10830.48       
548.2253 10714.15       731.4250 226.8997 5.755013 225.4841 7.726359 1.415527 
9.634148 
1 1 1 9   -8  1  o 177.3165 5.323671  6628.761       362.8797 6634.778       
433.6106 6614.696       662.9304 177.5842 5.815897 177.0487 8.918590 0.5354462 
10.64734 
1 1 1 9   -8  2  o 313.2222 10.54213  20919.07       1384.652 20604.06       
1998.599 21209.83       1920.144 310.8242 15.31552 315.6201 14.49072 -4.795959 
21.08427 
1 1 1 9   -8  3  o 497.5046 15.70345  53785.66       3278.422 53051.11       
4687.625 54488.95       4586.797 493.8743 22.60776 501.1350 21.80097 -7.260742 
31.40690 
1 1 1 9   -8  4  o 28.54964 7.010160  141.7245       101.9369 214.9686       
162.9836 94.66385       130.6432 32.38907 10.50358 24.71021 9.286777 7.678854 
14.02032 
1 1 1 9   -8  5  o 30.78723 6.655883  189.0527       101.9329 69.33447       
145.7087 303.7974       142.6498 24.39319 9.638995 37.18127 9.181115 -12.78808 
13.31177 
1 1 1 9   -8  6  o 190.4379 9.817459  7676.758       784.9310 7676.758       
784.9310 0.000000       0.000000 190.4379 9.817459 ?        ?        ? ? 
1 1 1 9   -8  7  o 102.5251 6.809273  2216.333       293.0960 2216.333       
293.0960 0.000000       0.000000 102.5251 6.809273 ?        ?        ? ? 
1 1 1 9   -8  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -8  9  o 208.1115 9.304207  9188.217       812.9321 0.000000       
0.000000 9188.217       812.9321 ?        ?        208.1115 9.304207 ? ? 
1 1 1 9   -8  10 f 52.87702 5.204635  590.7073       115.4089 552.2845       
160.4028 631.9458       166.1760 51.09001 7.478197 54.66403 7.240819 -3.574017 
10.40927 
1 1 1 9   -8  11 o 171.4831 6.478717  6281.175       461.0251 6108.582       
702.1351 6411.979       611.2485 169.2110 9.883554 173.7552 8.379169 -4.544235 
12.95743 
1 1 1 9   -8  12 o 114.1412 4.858936  2759.774       232.7322 2876.799       
331.3136 2645.781       326.9949 116.5448 6.771230 111.7377 6.970472 4.807037 
9.717873 
1 1 1 9   -8  13 o 73.18931 7.443657  1138.681       228.7246 1138.681       
228.7246 0.000000       0.000000 73.18931 7.443657 ?        ?        ? ? 
1 1 1 9   -8  14 o 81.46021 4.681116  1387.741       157.8324 1530.990       
249.1843 1291.766       203.9632 84.86531 6.993774 78.05511 6.224027 6.810196 
9.362231 
1 1 1 9   -8  15 o 87.76114 5.071102  1641.645       186.6083 1568.412       
266.1605 1712.445       261.7040 85.79612 7.389192 89.72617 6.947241 -3.930046 
10.14220 
1 1 1 9   -8  16 o 120.2166 5.333533  3084.238       264.6206 3057.962       
412.8795 3102.555       344.7324 119.6107 8.221943 120.8226 6.796024 -1.211952 
10.66707 
1 1 1 9   -8  17 o 171.3667 6.553166  6305.636       447.4634 6324.403       
763.3337 6295.811       552.3086 170.9328 10.63677 171.8005 7.657348 
-0.8676910     13.10633 
1 1 1 9   -8  18 o 77.54716 5.149520  1268.886       166.7199 1120.109       
223.2345 1456.530       250.7042 72.45334 7.338784 82.64098 7.225821 -10.18764 
10.29904 
1 1 1 9   -8  19 o 139.5349 5.572399  4149.424       318.1868 4036.458       
404.5911 4332.561       515.1438 137.3978 7.013870 141.6719 8.660955 -4.274124 
11.14480 
1 1 1 9   -8  20 o 33.06697 7.970960  229.6642       132.4110 231.9084       
196.3050 227.7909       179.3555 33.37301 11.51992 32.76092 11.01981 0.6120911 
15.94192 
1 1 1 9   -8  21 o 41.73036 7.380670  404.8461       128.8727 372.0429       
192.0507 431.7163       173.8173 40.06111 11.06141 43.39962 9.774582 -3.338509 
14.76134 
1 1 1 9   -8  22 o 79.40881 4.489373  1319.388       136.0779 1459.813       
257.1003 1264.742       160.3845 81.84187 7.482525 76.97577 4.962831 4.866096 
8.978745 
1 1 1 9   -8  23 o 51.58072 5.478515  523.4767       102.2449 720.7263       
219.1902 468.6208       115.5912 56.59580 9.224823 46.56564 5.912624 10.03017 
10.95703 
1 1 1 9   -8  24 o 23.55261 6.776978  36.47376       92.39226 173.1394       
190.5979 -5.504301      105.6330 29.47869 11.18016 17.62653 7.662491 11.85216 
13.55396 
1 1 1 9   -8  25 o 23.00053 6.393450  88.30683       91.56586 -66.32745      
187.4657 136.7577       104.9349 21.13626 9.615431 24.86480 8.429014 -3.728544 
12.78690 
1 1 1 9   -8  26 o 109.0119 4.225024  2483.086       175.9576 3020.268       
337.6997 2282.897       206.1534 115.5905 6.958722 102.4333 4.793693 13.15720 
8.450047 
1 1 1 9   -8  27 o 39.00713 7.014156  354.2382       98.57106 465.7615       
217.7722 325.5021       110.5433 40.98542 11.93497 37.02883 7.372241 3.956589 
14.02831 
1 1 1 9   -8  28 o 46.76093 6.714687  610.9534       106.7393 457.2616       
226.2139 654.9724       121.0637 39.34835 12.32943 54.17350 5.322899 -14.82515 
13.42937 
1 1 1 9   -8  29 o 20.51513 6.195007  45.47096       97.52204 -148.9965      
198.6124 107.2518       111.9463 18.80492 8.988517 22.22533 8.527546 -3.420416 
12.39001 
1 1 1 9   -8  30 o 24.25315 5.917066  119.6983       98.78998 -169.0946      
163.8182 284.7431       123.8426 16.20136 7.838210 32.30494 8.866179 -16.10358 
11.83413 
1 1 1 9   -8  31 o 19.88725 6.446421  32.48436       111.3575 -48.59856      
236.3808 55.61167       126.2438 20.49691 9.799353 19.27759 8.378429 1.219322 
12.89284 
1 1 1 9   -7  0  o 468.3600 9.738462  45759.77       1681.553 44885.48       
1948.124 48314.80       3330.330 460.9883 10.06579 475.7317 16.67425 -14.74338 
19.47692 
1 1 1 9   -7  1  o 237.2463 5.476745  11268.03       494.4235 10534.71       
578.1634 13263.88       953.8214 223.7586 6.154489 250.7341 9.060972 -26.97548 
10.95349 
1 1 1 9   -7  2  o 684.0601 16.25051  99250.83       4357.603 95385.22       
5248.869 107824.0       7816.776 666.7706 18.75039 701.3495 26.54693 -34.57892 
32.50103 
1 1 1 9   -7  3  o 319.6757 8.482092  20633.99       875.5146 20088.14       
961.5732 23280.51       2117.306 308.7998 7.416967 330.5515 15.25687 -21.75171 
16.96418 
1 1 1 9   -7  4  o 208.1553 5.814033  8488.423       224.5893 8417.913       
230.1789 9887.558       1025.338 200.2022 2.738532 216.1084 11.30099 -15.90625 
11.62807 
1 1 1 9   -7  5  o 356.6783 11.72519  27336.91       1726.311 26561.05       
2676.291 27889.76       2259.126 351.6650 18.12697 361.6916 14.87726 -10.02655 
23.45038 
1 1 1 9   -7  6  o 371.1652 12.06338  29676.93       1746.684 29210.30       
3089.824 29896.08       2117.490 367.5027 20.02600 374.8277 13.45584 -7.325043 
24.12675 
1 1 1 9   -7  7  o 137.2200 4.834921  3883.605       263.1780 4222.640       
462.5225 3721.281       320.0380 141.4762 7.787007 132.9638 5.733095 8.512390 
9.669843 
1 1 1 9   -7  8  o 182.5455 11.52527  7079.794       883.2859 7079.794       
883.2859 0.000000       0.000000 182.5455 11.52527 ?        ?        ? ? 
1 1 1 9   -7  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -7  10 f 121.6237 6.821103  3122.240       348.2985 0.000000       
0.000000 3122.240       348.2985 ?        ?        121.6237 6.821103 ? ? 
1 1 1 9   -7  11 o 46.35407 9.835545  474.2569       185.6085 0.000000       
0.000000 474.2569       185.6085 ?        ?        46.35407 9.835545 ? ? 
1 1 1 9   -7  12 o 74.56195 4.849991  1173.830       151.6799 1240.987       
219.7465 1112.717       209.6267 76.59728 6.833285 72.52663 6.884464 4.070656 
9.699982 
1 1 1 9   -7  13 o 196.0796 7.438989  8323.953       582.7927 8522.281       
726.3767 7965.599       976.3938 200.0540 8.648400 192.1053 12.10617 7.948730 
14.87798 
1 1 1 9   -7  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -7  15 o 51.42542 6.163418  573.9149       129.3284 578.9047       
194.0419 569.9266       173.4769 51.17114 9.382094 51.67970 7.995447 
-0.5085526     12.32684 
1 1 1 9   -7  16 o 230.0172 8.608325  11562.92       830.9932 11271.33       
1179.106 11850.67       1171.336 226.9866 12.37296 233.0478 11.97175 -6.061172 
17.21665 
1 1 1 9   -7  17 o 99.21442 4.906060  2084.049       201.0190 2143.079       
315.8235 2043.849       260.6291 100.2830 7.501329 98.14584 6.325168 2.137154 
9.812119 
1 1 1 9   -7  18 o 30.02574 7.327788  167.0071       116.3072 82.75096       
161.9764 256.6887       167.1100 25.68881 10.15908 34.36266 10.56310 -8.673855 
14.65558 
1 1 1 9   -7  19 o 30.31581 7.055437  187.4444       113.9525 285.6519       
144.6691 26.91510       184.9612 35.75229 9.481337 24.87935 10.45089 10.87294 
14.11087 
1 1 1 9   -7  20 o 105.0806 5.266912  2370.382       231.5986 2336.105       
340.0757 2400.029       316.2773 104.2739 7.768208 105.8872 7.114521 -1.613243 
10.53382 
1 1 1 9   -7  21 o 39.02130 7.082984  347.0091       121.0494 219.2677       
170.7324 476.1285       171.6508 32.09834 10.75164 45.94427 9.223711 -13.84593 
14.16597 
1 1 1 9   -7  22 f 80.00844 4.639802  1311.969       138.6727 1525.298       
274.4617 1238.843       160.6922 83.75711 7.805148 76.25977 5.019036 7.497345 
9.279605 
1 1 1 9   -7  23 o 121.9511 4.489328  3201.311       208.3847 3235.333       
387.0172 3187.420       247.2923 121.6850 7.575554 122.2173 4.819467 
-0.5323410     8.978657 
1 1 1 9   -7  24 o 125.8311 4.498450  3381.282       228.1371 3667.192       
386.3969 3228.278       282.6645 129.2888 7.118588 122.3734 5.501809 6.915436 
8.996900 
1 1 1 9   -7  25 o 33.15217 6.591013  224.8382       90.83587 381.9194       
167.5523 159.4531       108.1004 39.73901 10.03469 26.56532 8.548145 13.17369 
13.18203 
1 1 1 9   -7  26 o 31.76057 6.179381  270.1323       90.83663 89.85889       
173.1197 338.6198       106.7054 25.06621 10.28294 38.45494 6.855663 -13.38873 
12.35876 
1 1 1 9   -7  27 o 30.74412 6.926626  230.3223       92.63747 217.8479       
192.2503 234.0947       105.7205 30.30112 11.28974 31.18712 8.028346 
-0.8859997     13.85325 
1 1 1 9   -7  28 o 22.20861 6.644829  66.46861       99.11969 -70.00648      
223.0364 100.0561       110.6465 22.11048 10.21482 22.30675 8.501318 
-0.1962643     13.28966 
1 1 1 9   -7  29 o 55.66693 5.314973  691.6802       116.1133 871.1898       
212.7288 615.5043       138.5770 59.58722 8.503433 51.74665 6.378667 7.840561 
10.62995 
1 1 1 9   -7  30 o 24.73656 6.728353  128.9574       94.74628 222.5976       
163.3142 81.45184       116.3228 28.49055 10.43921 20.98256 8.491514 7.507986 
13.45671 
1 1 1 9   -7  31 f 26.07021 6.984297  192.1632       102.4570 167.8871       
191.5588 201.8909       121.2593 25.29538 10.63111 26.84504 9.060966 -1.549660 
13.96859 
1 1 1 9   -7  32 o 21.78231 6.742065  95.58535       110.9462 135.5356       
195.9355 76.73110       134.6040 23.33336 10.28515 20.23126 8.719950 3.102104 
13.48413 
1 1 1 9   -6  0  o 284.1994 3.234045  17022.90       371.7466 17154.54       
467.8024 16797.32       612.3850 285.7415 3.899511 282.6572 5.160426 3.084320 
6.468089 
1 1 1 9   -6  1  o 415.5435 8.157145  36510.25       1403.088 36410.51       
1835.982 36650.30       2175.465 415.1284 10.53433 415.9585 12.45728 
-0.8301086     16.31429 
1 1 1 9   -6  2  o 264.7378 5.557301  14764.50       617.6346 14592.17       
867.6999 14941.50       879.3512 263.1729 7.853252 266.3028 7.865163 -3.129944 
11.11460 
1 1 1 9   -6  3  o 454.5198 6.846110  42897.50       1038.854 42440.90       
1156.545 44804.67       2363.680 449.1308 6.133536 459.9089 12.24159 -10.77817 
13.69222 
1 1 1 9   -6  4  o 283.6243 6.092596  16937.23       724.0895 16550.94       
989.2443 17383.04       1062.735 280.1772 8.409919 287.0714 8.817719 -6.894135 
12.18519 
1 1 1 9   -6  5  o 270.9779 5.515305  15478.51       625.9576 15534.48       
857.0320 15414.52       916.4254 271.5406 7.517670 270.4151 8.072111 1.125519 
11.03061 
1 1 1 9   -6  6  o 139.2994 4.136114  4043.815       183.7215 4023.098       
202.0113 4142.931       441.8624 138.3815 3.477113 140.2174 7.505961 -1.835892 
8.272228 
1 1 1 9   -6  7  o 303.9890 9.409616  19660.37       1195.361 19511.05       
1773.805 19784.60       1617.920 302.7382 13.95596 305.2397 12.62517 -2.501556 
18.81923 
1 1 1 9   -6  8  o 273.1631 9.793893  15904.57       1123.004 16172.35       
1583.913 15633.90       1592.457 275.5219 13.69293 270.8044 14.00661 4.717468 
19.58779 
1 1 1 9   -6  9  o 159.3722 7.313924  5357.033       489.3751 5357.033       
489.3751 0.000000       0.000000 159.3722 7.313924 ?        ?        ? ? 
1 1 1 9   -6  10 o 23.51707 9.784938  25.97583       159.7117 0.000000       
0.000000 25.97583       159.7117 ?        ?        23.51707 9.784938 ? ? 
1 1 1 9   -6  11 o 120.1984 4.806608  3005.282       235.4684 2875.627       
296.2547 3227.697       388.0186 116.7957 6.041702 123.6010 7.477416 -6.805313 
9.613215 
1 1 1 9   -6  12 o 239.5576 9.438492  12293.22       945.7787 12855.87       
1410.519 11833.63       1274.818 244.3457 13.74977 234.7695 12.93385 9.576187 
18.87698 
1 1 1 9   -6  13 o 224.7494 9.343131  10859.97       863.6178 11121.97       
1372.080 10688.08       1111.386 226.3861 14.43613 223.1127 11.86484 3.273346 
18.68626 
1 1 1 9   -6  14 o 90.59695 4.974143  1719.728       188.0534 1558.595       
249.8680 1930.233       285.5935 85.76943 6.939035 95.42448 7.128687 -9.655052 
9.948286 
1 1 1 9   -6  15 o 104.3636 4.767788  2312.218       208.2441 2282.883       
305.8025 2337.584       284.3678 103.7001 7.023975 105.0272 6.449108 -1.327118 
9.535576 
1 1 1 9   -6  16 o 66.35614 7.706612  938.6599       214.6958 938.6599       
214.6958 0.000000       0.000000 66.35614 7.706612 ?        ?        ? ? 
1 1 1 9   -6  17 o 53.49422 6.388255  623.8583       140.1475 603.2423       
201.8829 643.0351       194.7088 52.17918 9.572904 54.80926 8.461603 -2.630081 
12.77651 
1 1 1 9   -6  18 o 40.09173 6.229822  359.0756       105.4267 482.0861       
147.3260 229.9712       150.9311 47.57504 7.376007 32.60841 10.04177 14.96663 
12.45964 
1 1 1 9   -6  19 o 139.3949 5.502691  4148.503       321.9019 4300.060       
456.7440 3998.930       453.7469 141.9599 7.663520 136.8300 7.898664 5.129913 
11.00538 
1 1 1 9   -6  20 o 79.11005 5.091619  1303.785       166.7697 1054.486       
218.7311 1649.922       257.7357 70.25389 7.415855 87.96620 6.978784 -17.71231 
10.18324 
1 1 1 9   -6  21 o 158.8742 6.709594  5481.394       446.4011 5331.222       
606.8354 5658.493       658.9986 156.6618 9.226328 161.0866 9.744202 -4.424759 
13.41919 
1 1 1 9   -6  22 o 38.35706 7.414870  300.4078       113.2634 442.4540       
216.4933 246.8762       132.9030 43.64308 11.60981 33.07104 9.226785 10.57204 
14.82974 
1 1 1 9   -6  23 o 109.0921 4.680970  2549.833       198.8441 2607.814       
356.1947 2523.584       239.6649 109.4571 7.751120 108.7272 5.250340 0.7299576 
9.361940 
1 1 1 9   -6  24 o 93.91690 4.226823  1899.864       155.2487 1904.391       
274.4991 1897.735       188.2487 93.54922 6.989110 94.28458 4.755677 
-0.7353592     8.453646 
1 1 1 9   -6  25 o 85.06248 4.253664  1569.506       135.6343 1572.972       
257.4359 1568.174       159.5796 84.48672 7.257745 85.63824 4.438442 -1.151527 
8.507328 
1 1 1 9   -6  26 f 35.29870 5.916899  355.2896       106.8071 -65.72478      
204.6043 512.9916       125.2232 22.24242 10.09906 48.35498 6.168286 -26.11256 
11.83380 
1 1 1 9   -6  27 o 82.17675 4.810770  1496.792       145.7699 1546.236       
284.5065 1479.193       169.7426 81.83894 8.280437 82.51456 4.899833 
-0.6756134     9.621539 
1 1 1 9   -6  28 o 23.41781 6.756713  78.35793       93.90169 130.5056       
185.6267 60.42429       108.8571 26.48554 10.72344 20.35009 8.223172 6.135452 
13.51343 
1 1 1 9   -6  29 o 49.84294 6.365462  703.0309       113.0265 412.0987       
201.9551 835.7172       136.3866 38.35966 11.57653 61.32621 5.297204 -22.96655 
12.73092 
1 1 1 9   -6  30 o 24.29351 6.433128  133.3990       95.97298 12.74896       
160.9524 199.9636       119.5515 20.71896 9.202682 27.86806 8.991729 -7.149096 
12.86626 
1 1 1 9   -6  31 o 30.16318 7.270097  232.6292       101.0843 349.9348       
193.7686 188.7687       118.4844 33.64621 11.45404 26.68015 8.956691 6.966061 
14.54019 
1 1 1 9   -6  32 o 17.80331 5.804794  -7.136287      92.35452 -76.43373      
187.5513 15.04563       106.1112 18.60014 8.842200 17.00648 7.523168 1.593655 
11.60959 
1 1 1 9   -5  0  o 215.7226 3.252301  9688.345       277.4282 9512.013       
337.9771 10052.56       485.7401 212.7833 3.783301 218.6620 5.291171 -5.878693 
6.504602 
1 1 1 9   -5  1  o 259.3862 4.698291  14141.61       475.4553 14204.93       
847.4081 14112.52       574.3820 259.6908 7.772436 259.0816 5.280623 0.6091309 
9.396582 
1 1 1 9   -5  2  o 47.77544 3.293635  482.7133       65.56718 449.7998       
96.80188 510.6134       89.12508 46.25706 4.984560 49.29381 4.306541 -3.036743 
6.587271 
1 1 1 9   -5  3  o 226.3293 4.692584  10707.54       435.5716 11115.07       
700.7772 10450.99       556.0224 229.7578 7.264917 222.9008 5.941576 6.857025 
9.385167 
1 1 1 9   -5  4  o 90.56813 2.505567  1701.370       94.48703 1562.341       
124.2770 1891.829       145.4588 86.24075 3.432411 94.89552 3.651030 -8.654762 
5.011134 
1 1 1 9   -5  5  o 172.6857 3.827126  6262.225       277.1719 5873.040       
384.7928 6681.910       399.5860 167.1130 5.484509 178.2583 5.339264 -11.14531 
7.654253 
1 1 1 9   -5  6  o 173.2044 3.940156  6323.803       285.4847 6499.266       
390.8093 6123.040       418.0373 175.8026 5.294934 170.6062 5.836350 5.196472 
7.880312 
1 1 1 9   -5  7  o 475.2506 12.73297  46461.00       861.8079 46338.25       
874.5674 50576.11       5063.662 469.5301 4.436607 480.9711 25.07649 -11.44104 
25.46594 
1 1 1 9   -5  8  o 153.2530 5.463583  4953.349       343.9807 4962.323       
443.2203 4939.755       545.4667 153.4945 6.877772 153.0115 8.491125 0.4830475 
10.92717 
1 1 1 9   -5  9  o 104.5197 4.892087  2301.001       213.7428 2293.750       
288.9512 2309.764       317.6368 104.3556 6.595231 104.6838 7.227241 
-0.3282166     9.784175 
1 1 1 9   -5  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -5  11 o 108.9141 6.813008  2501.541       311.5314 0.000000       
0.000000 2501.541       311.5314 ?        ?        108.9141 6.813008 ? ? 
1 1 1 9   -5  12 o 74.02691 4.699056  1142.656       144.6957 1253.490       
223.6649 1062.883       189.7527 77.06242 6.913155 70.99140 6.366537 6.071014 
9.398111 
1 1 1 9   -5  13 o 85.65853 4.542836  1554.648       162.7543 1450.394       
235.0615 1650.652       225.5704 82.86438 6.756702 88.45268 6.074242 -5.588303 
9.085672 
1 1 1 9   -5  14 o 53.02819 5.719718  613.6581       122.2673 530.3188       
180.2766 684.6461       166.3822 49.17271 9.073194 56.88367 6.966910 -7.710960 
11.43944 
1 1 1 9   -5  15 o 44.57669 6.740597  440.7282       122.1615 430.5408       
176.8615 450.0231       168.9359 44.02532 9.821164 45.12807 9.235115 -1.102753 
13.48119 
1 1 1 9   -5  16 o 77.22787 5.040057  1240.158       161.3338 1007.037       
212.6727 1556.173       247.6135 68.82854 7.359771 85.62720 6.887850 -16.79867 
10.08011 
1 1 1 9   -5  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -5  18 o 127.3655 5.271857  3458.675       281.5433 3488.190       
389.5110 3426.383       407.4171 127.9871 7.248944 126.7440 7.656549 1.243095 
10.54371 
1 1 1 9   -5  19 o 64.66409 5.114928  890.1783       138.6231 959.8367       
197.8736 823.0399       194.2617 67.17514 7.016175 62.15303 7.444680 5.022114 
10.22986 
1 1 1 9   -5  20 o 72.63209 5.145739  1128.421       156.1317 1177.206       
213.5029 1072.342       228.9084 74.38969 6.836158 70.87449 7.692950 3.515198 
10.29148 
1 1 1 9   -5  21 o 108.9768 4.814257  2540.188       218.3749 2468.548       
328.4022 2596.975       292.3840 107.4739 7.278204 110.4797 6.303652 -3.005806 
9.628514 
1 1 1 9   -5  22 o 137.0148 4.924001  4104.365       262.9839 3795.218       
457.9549 4256.475       321.2311 132.5272 8.230736 141.5025 5.407228 -8.975220 
9.848001 
1 1 1 9   -5  23 o 58.51832 6.221281  788.2930       128.6833 695.0443       
244.9782 823.8275       151.2273 54.95133 11.00711 62.08531 5.801796 -7.133976 
12.44256 
1 1 1 9   -5  24 o 26.98566 6.712169  150.1617       91.91399 86.73135       
172.2746 175.4026       108.6737 25.89514 10.39389 28.07619 8.495871 -2.181047 
13.42434 
1 1 1 9   -5  25 o 98.60414 4.186713  2076.908       160.9495 2157.393       
288.7291 2040.623       193.8646 99.48543 6.912772 97.72285 4.725235 1.762581 
8.373425 
1 1 1 9   -5  26 o 110.0869 4.966455  2736.219       218.0063 2432.255       
357.2825 2916.520       275.1689 104.1684 8.169526 116.0055 5.649915 -11.83709 
9.932910 
1 1 1 9   -5  27 f 40.24059 6.887794  380.4064       101.8653 395.3246       
217.8336 376.2311       115.2420 39.28807 12.05668 41.19309 6.663580 -1.905018 
13.77559 
1 1 1 9   -5  28 o 35.01266 6.352900  351.9413       110.3516 10.87506       
220.1106 466.4486       127.5377 24.43347 10.81856 45.59185 6.663037 -21.15839 
12.70580 
1 1 1 9   -5  29 o 31.67327 6.729455  258.9548       96.44057 213.4226       
165.5583 282.3404       118.6496 29.43458 10.53744 33.91197 8.372857 -4.477392 
13.45891 
1 1 1 9   -5  30 o 35.07858 7.160293  301.5053       106.1591 432.9387       
187.7966 239.7821       128.6942 39.65067 10.93388 30.50650 9.248216 9.144169 
14.32059 
1 1 1 9   -5  31 o 27.24551 6.943550  177.7863       95.66723 252.8573       
172.7216 144.5634       114.9024 30.10632 10.76448 24.38470 8.773687 5.721617 
13.88710 
1 1 1 9   -5  32 o 21.83796 6.280327  86.17899       101.7062 -125.9343      
190.1996 171.1183       120.3594 18.32613 8.768377 25.34979 8.993642 -7.023663 
12.56065 
1 1 1 9   -5  33 o 22.02508 7.102132  80.97617       123.1199 54.26030       
299.3639 86.41496       135.0721 23.35524 11.13284 20.69492 8.821615 2.660322 
14.20426 
1 1 1 9   -4  0  o 379.8787 7.462699  30471.13       1184.661 30541.18       
1763.151 30413.49       1599.506 380.1666 11.04681 379.5907 10.03671 0.5758972 
14.92540 
1 1 1 9   -4  1  o 414.2461 6.248975  36203.99       1032.479 36265.79       
1275.520 36086.54       1758.370 415.0367 7.320184 413.4554 10.12984 1.581238 
12.49795 
1 1 1 9   -4  2  f 349.1016 5.883676  25084.73       603.8456 26526.28       
1616.895 24851.09       650.9439 354.3250 10.86929 343.8782 4.508790 10.44681 
11.76735 
1 1 1 9   -4  3  o 283.0465 4.385218  16945.67       517.4921 17819.70       
703.4000 15914.43       764.0444 291.0880 5.755712 275.0051 6.617577 16.08295 
8.770436 
1 1 1 9   -4  4  o 120.1658 2.568599  2973.890       125.5709 3268.739       
208.8535 2806.964       157.1465 124.7297 3.988349 115.6019 3.237881 9.127800 
5.137198 
1 1 1 9   -4  5  o 119.1840 3.071083  2987.500       153.5422 2901.330       
219.4977 3070.067       214.8594 117.4965 4.449651 120.8715 4.234006 -3.374985 
6.142166 
1 1 1 9   -4  6  o 85.57881 2.656438  1522.280       93.68683 1621.948       
149.3480 1457.611       120.3005 87.85802 4.048919 83.29960 3.439899 4.558426 
5.312876 
1 1 1 9   -4  7  o 195.3309 3.764488  7782.045       239.5647 7646.128       
264.2230 8409.969       567.9211 190.7875 3.298692 199.8743 6.767872 -9.086792 
7.528975 
1 1 1 9   -4  8  o 228.2818 7.645166  10155.06       279.3748 10087.91       
284.4012 12004.63       1492.590 219.1499 3.091087 237.4136 14.97463 -18.26372 
15.29033 
1 1 1 9   -4  9  o 231.0715 8.749347  11329.97       836.5713 11339.35       
1094.840 11316.83       1296.821 231.3945 11.26987 230.7486 13.38635 0.6459961 
17.49869 
1 1 1 9   -4  10 o 192.3826 10.05063  7829.707       811.7793 7829.707       
811.7793 0.000000       0.000000 192.3826 10.05063 ?        ?        ? ? 
1 1 1 9   -4  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -4  12 o 70.51651 4.781571  1054.696       140.3405 994.8406       
209.1779 1103.693       189.2569 68.66224 7.256362 72.37077 6.228875 -3.708534 
9.563142 
1 1 1 9   -4  13 o 111.9799 4.487461  2614.987       207.9730 2815.233       
327.3333 2479.431       269.3185 115.5002 6.750387 108.4596 5.914515 7.040550 
8.974921 
1 1 1 9   -4  14 o 215.4616 8.633874  9956.418       779.6055 9792.456       
1131.250 10104.72       1075.889 213.6232 12.61338 217.3000 11.79313 -3.676788 
17.26775 
1 1 1 9   -4  15 o 131.1441 5.634645  3531.169       290.4207 3983.915       
523.5831 3329.970       349.0363 136.8039 9.116079 125.4842 6.625256 11.31976 
11.26929 
1 1 1 9   -4  16 o 139.8997 5.240915  4156.792       304.5265 4171.824       
402.8156 4136.742       465.2260 140.3098 6.838161 139.4896 7.944074 0.8201904 
10.48183 
1 1 1 9   -4  17 o 138.9658 4.803569  4117.718       278.9237 3774.515       
402.0566 4436.149       387.2741 133.2668 7.185983 144.6647 6.376421 -11.39786 
9.607138 
1 1 1 9   -4  18 o 108.9182 5.260776  2524.115       230.6988 2515.514       
287.9586 2539.529       385.4875 108.8866 6.299073 108.9498 8.427618 
-0.6321716E-01 10.52155 
1 1 1 9   -4  19 o 124.3245 7.253662  3291.014       378.6108 3291.014       
378.6108 0.000000       0.000000 124.3245 7.253662 ?        ?        ? ? 
1 1 1 9   -4  20 o 121.2088 5.112659  3127.967       260.1418 3137.066       
365.4598 3118.620       370.3818 121.4016 7.170285 121.0160 7.290004 0.3855133 
10.22532 
1 1 1 9   -4  21 o 148.8561 6.512882  4758.174       406.5702 4536.540       
559.4057 5006.325       591.9255 145.2034 9.176375 152.5088 9.244711 -7.305374 
13.02576 
1 1 1 9   -4  22 o 65.24896 4.866315  908.1404       122.3759 912.0082       
222.4991 906.4630       146.5298 65.12635 8.137530 65.37157 5.338977 
-0.2452240     9.732630 
1 1 1 9   -4  23 o 110.1065 4.335386  2421.931       185.1504 3035.206       
348.6973 2181.137       218.4959 118.9008 6.985295 101.3122 5.136919 17.58865 
8.670772 
1 1 1 9   -4  24 o 92.88524 4.308265  1856.976       157.0243 1826.909       
274.7666 1871.557       191.3498 91.97518 7.115647 93.79530 4.859236 -1.820114 
8.616530 
1 1 1 9   -4  25 o 43.18304 6.569997  399.1876       104.0024 495.4745       
206.9864 366.6684       120.2896 45.89454 10.89169 40.47153 7.350550 5.423008 
13.13999 
1 1 1 9   -4  26 o 70.72646 4.728958  1118.392       122.4915 1030.928       
235.3329 1150.894       143.4563 68.09840 8.231269 73.35451 4.658154 -5.256104 
9.457916 
1 1 1 9   -4  27 o 24.50261 6.868544  70.81434       97.93359 175.1308       
181.2348 27.79158       116.3897 29.22504 10.94708 19.78018 8.298740 9.444860 
13.73709 
1 1 1 9   -4  28 o 66.60430 4.492635  909.5804       113.3467 1160.589       
222.7384 821.8657       131.6701 71.72123 7.397219 61.48738 5.100611 10.23385 
8.985271 
1 1 1 9   -4  29 o 34.77546 6.309825  331.0943       105.5509 93.78755       
186.8405 442.3274       127.9184 25.36030 10.56962 44.19063 6.894833 -18.83034 
12.61965 
1 1 1 9   -4  30 o 20.55135 6.115201  41.32093       92.75869 -61.22842      
158.9980 94.23188       114.2084 18.97916 8.710454 22.12354 8.585493 -3.144382 
12.23040 
1 1 1 9   -4  31 o 26.28900 6.837570  160.7064       94.27869 203.4332       
166.3639 140.4932       114.4266 28.20804 10.50373 24.36995 8.756782 3.838091 
13.67514 
1 1 1 9   -4  32 o 33.99217 7.130152  338.5474       108.8372 270.7675       
205.2581 365.0581       128.3693 30.30217 11.57003 37.68217 8.336110 -7.380003 
14.26030 
1 1 1 9   -4  33 o 23.92185 7.591163  77.67349       120.3169 289.8107       
293.3702 34.77736       131.9218 28.70418 12.62180 19.13952 8.437602 9.564655 
15.18233 
1 1 1 9   -3  0  o 91.59499 2.457468  1782.540       91.38695 1847.026       
116.5271 1679.504       147.2942 93.77992 2.959634 89.41006 3.923921 4.369865 
4.914935 
1 1 1 9   -3  1  o 27.80914 4.321945  164.6578       52.66754 270.3443       
76.88989 71.24057       72.28912 35.86156 5.106944 19.75671 6.973948 16.10485 
8.643889 
1 1 1 9   -3  2  o 62.81889 2.688027  831.0227       70.68808 763.2596       
100.4471 897.5082       99.49577 60.27353 3.969464 65.36426 3.625646 -5.090733 
5.376053 
1 1 1 9   -3  3  o 302.2191 4.454961  19220.58       565.0717 19544.73       
793.6574 18887.33       804.7214 304.8142 6.201816 299.6240 6.397201 5.190216 
8.909922 
1 1 1 9   -3  4  o 364.9427 6.343898  27871.96       746.8838 27754.69       
824.1537 28410.85       1766.700 363.3245 5.402995 366.5610 11.47989 -3.236542 
12.68780 
1 1 1 9   -3  5  o 64.59445 2.907031  877.1982       78.79079 853.4801       
112.2550 900.2293       110.6171 63.73207 4.195356 65.45683 4.025208 -1.724751 
5.814061 
1 1 1 9   -3  6  o 164.2339 2.957767  5654.532       196.4026 5619.114       
246.1597 5716.574       325.7987 163.5497 3.584994 164.9181 4.705461 -1.368408 
5.915534 
1 1 1 9   -3  7  o 88.06490 2.992763  1603.772       109.6886 1837.204       
169.2371 1434.680       144.0382 93.50091 4.311226 82.62888 4.152090 10.87203 
5.985526 
1 1 1 9   -3  8  f 246.6219 5.733260  12708.68       587.5666 12092.76       
769.9432 13567.54       909.2007 239.5830 7.654623 253.6608 8.537437 -14.07777 
11.46652 
1 1 1 9   -3  9  o 332.9587 9.018852  22507.51       759.6484 22259.67       
799.3758 24816.73       2440.012 325.2774 5.853534 340.6400 17.06150 -15.36258 
18.03770 
1 1 1 9   -3  10 o 305.1426 11.17884  19762.18       1416.413 19082.99       
1856.562 20708.03       2190.927 299.2388 14.77790 311.0465 16.77736 -11.80774 
22.35769 
1 1 1 9   -3  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -3  12 o 143.1498 6.249551  4316.348       375.5940 0.000000       
0.000000 4316.348       375.5940 ?        ?        143.1498 6.249551 ? ? 
1 1 1 9   -3  13 o 130.5600 4.344810  3591.103       237.6687 3605.463       
347.7089 3578.511       325.6074 130.7895 6.332339 130.3306 5.950710 0.4588470 
8.689619 
1 1 1 9   -3  14 o 145.4283 5.810136  4477.507       353.4402 4454.258       
521.9158 4497.199       480.3475 145.0277 8.571773 145.8288 7.845728 
-0.8011475     11.62027 
1 1 1 9   -3  15 o 208.1612 6.772961  9239.652       567.7626 9134.299       
944.1285 9299.337       710.6119 206.8355 10.87244 209.4870 8.079724 -2.651505 
13.54592 
1 1 1 9   -3  16 o 83.24096 4.400592  1483.120       151.7637 1299.816       
223.9981 1638.664       206.3403 78.37019 6.807920 88.11172 5.577909 -9.741531 
8.801185 
1 1 1 9   -3  17 o 59.50349 5.199794  752.4922       128.6691 746.4247       
195.4126 757.1363       170.9602 59.24378 7.856530 59.76319 6.813691 
-0.5194054     10.39959 
1 1 1 9   -3  18 o 82.45791 4.888507  1411.636       165.0312 1589.234       
270.7442 1306.638       208.1754 86.41061 7.462996 78.50521 6.316144 7.905396 
9.777014 
1 1 1 9   -3  19 o 71.71588 4.856393  1068.183       144.3436 937.3796       
186.8115 1261.968       227.3813 66.41674 6.699574 77.01501 7.032347 -10.59827 
9.712786 
1 1 1 9   -3  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -3  21 o 167.3902 6.259812  6074.455       406.4297 5831.251       
721.6110 6187.450       491.8651 164.2035 10.46747 170.5770 6.868260 -6.373474 
12.51962 
1 1 1 9   -3  22 o 37.53729 7.353284  323.7686       112.9987 257.7880       
220.1980 347.3556       131.6560 35.51641 12.20655 39.55817 8.202643 -4.041756 
14.70657 
1 1 1 9   -3  23 o 54.13715 5.551713  570.5724       112.5385 768.2432       
228.1071 506.9804       129.3805 59.51644 9.128994 48.75787 6.320408 10.75858 
11.10343 
1 1 1 9   -3  24 o 77.37346 4.349060  1257.618       129.5086 1339.095       
239.3865 1223.903       153.9896 78.83576 7.232649 75.91116 4.831778 2.924606 
8.698120 
1 1 1 9   -3  25 o 81.72505 4.600315  1419.430       138.9082 1478.640       
272.6731 1398.679       161.4253 82.37818 7.884081 81.07192 4.742661 1.306259 
9.200629 
1 1 1 9   -3  26 o 28.62129 6.945563  175.1434       107.8505 24.32471       
189.2687 247.6617       131.2427 24.43744 10.43051 32.80515 9.174305 -8.367718 
13.89113 
1 1 1 9   -3  27 o 37.82059 6.556760  362.2218       98.86320 235.2308       
196.2900 405.3853       114.4379 32.50974 11.49024 43.13143 6.319708 -10.62169 
13.11352 
1 1 1 9   -3  28 o 69.50234 4.680838  1025.083       120.9677 1162.129       
239.0145 977.8902       140.2575 71.74116 7.935547 67.26353 4.966695 4.477631 
9.361675 
1 1 1 9   -3  29 o 96.11877 4.011062  2058.783       157.1694 1901.892       
247.9925 2164.102       203.1862 92.42763 6.390839 99.80993 4.848881 -7.382301 
8.022123 
1 1 1 9   -3  30 o 64.18524 4.376852  930.7391       115.0145 889.8222       
181.0953 958.4009       148.9004 62.49172 6.902488 65.87875 5.383584 -3.387032 
8.753703 
1 1 1 9   -3  31 o 49.71698 6.097623  605.0814       110.8717 606.8088       
206.6404 604.3832       131.3844 47.76383 10.58500 51.67012 6.056553 -3.906288 
12.19525 
1 1 1 9   -3  32 o 22.22178 6.819410  33.66447       94.57406 172.5355       
215.1903 0.4200800      105.2873 27.36486 11.37019 17.07870 7.532342 10.28615 
13.63882 
1 1 1 9   -3  33 o 47.22932 7.824317  691.3492       128.2540 617.3555       
310.8390 706.5308       140.7977 39.51086 14.40934 54.94777 6.103324 -15.43690 
15.64863 
1 1 1 9   -3  34 o 21.09484 6.727840  68.60805       112.0847 -156.0502      
311.5132 102.0179       120.1303 21.13225 10.35701 21.05743 8.589970 
0.7481956E-01  13.45568 
1 1 1 9   -2  0  o 248.9727 4.606198  13142.37       463.0530 13422.51       
583.5135 12665.91       760.9846 252.6641 5.500834 245.2813 7.389795 7.382721 
9.212396 
1 1 1 9   -2  1  o 418.3285 6.363485  37002.63       1050.111 36572.14       
1824.820 37215.77       1284.021 416.1930 10.44351 420.4640 7.273851 -4.270996 
12.72697 
1 1 1 9   -2  2  o 298.8456 5.812325  18800.75       728.5474 19125.35       
1057.334 18507.32       1005.279 301.2813 8.359127 296.4098 8.078212 4.871521 
11.62465 
1 1 1 9   -2  3  o 286.9121 4.874602  17564.72       550.7978 16616.33       
949.3174 18046.00       676.2643 280.8601 8.050863 292.9641 5.498233 -12.10400 
9.749204 
1 1 1 9   -2  4  o 128.7396 2.977886  3492.793       159.5452 3400.582       
240.4163 3565.360       213.2759 127.2080 4.501639 130.2713 3.899547 -3.063347 
5.955772 
1 1 1 9   -2  5  o 236.2122 4.621755  11749.79       430.7136 11768.76       
526.1042 11711.22       750.0550 236.5963 5.296451 235.8282 7.575624 0.7680817 
9.243510 
1 1 1 9   -2  6  o 265.8447 5.551482  14754.58       600.5480 14367.65       
756.2855 15414.97       988.0377 261.2729 6.894653 270.4165 8.702848 -9.143555 
11.10296 
1 1 1 9   -2  7  o 362.6012 5.265506  27973.35       698.0853 28277.36       
810.7914 27102.19       1372.515 366.7346 5.265970 358.4678 9.119857 8.266754 
10.53101 
1 1 1 9   -2  8  o 206.4296 3.798307  9037.854       276.3940 9104.123       
315.2779 8817.805       574.5086 208.1748 3.607334 204.6844 6.685483 3.490402 
7.596614 
1 1 1 9   -2  9  o 350.2980 7.083215  25878.05       1038.779 25411.06       
1411.445 26429.93       1534.350 346.9243 9.690592 353.6716 10.33345 -6.747345 
14.16643 
1 1 1 9   -2  10 o 357.5384 11.94650  27519.99       1760.407 28414.11       
2304.254 26266.50       2728.306 365.2419 15.02695 349.8349 18.57595 15.40695 
23.89299 
1 1 1 9   -2  11 o 61.40878 8.272530  795.4224       213.2788 795.4224       
213.2788 0.000000       0.000000 61.40878 8.272530 ?        ?        ? ? 
1 1 1 9   -2  12 o 65.59420 6.809567  906.4911       187.5270 0.000000       
0.000000 906.4911       187.5270 ?        ?        65.59420 6.809567 ? ? 
1 1 1 9   -2  13 o 111.0793 4.976723  2604.980       226.1405 2586.672       
362.5093 2616.644       289.3421 110.7031 7.799743 111.4555 6.183455 
-0.7523651     9.953446 
1 1 1 9   -2  14 o 127.3198 5.443480  3428.678       289.9842 3364.406       
425.7964 3484.275       396.0198 126.1698 8.038366 128.4698 7.342383 -2.299988 
10.88696 
1 1 1 9   -2  15 o 134.9010 4.751116  3847.241       264.2910 3812.835       
413.6758 3870.970       343.5460 134.3174 7.335823 135.4846 6.039710 -1.167145 
9.502232 
1 1 1 9   -2  16 o 145.3316 5.463010  4483.372       326.4409 4427.139       
514.8934 4521.167       422.1207 144.4317 8.491331 146.2315 6.875697 -1.799789 
10.92602 
1 1 1 9   -2  17 o 137.0656 5.481081  3996.900       313.5504 4079.747       
423.7498 3896.654       466.1279 138.7289 7.275513 135.4022 8.199749 3.326752 
10.96216 
1 1 1 9   -2  18 o 42.31379 7.543876  400.8938       134.0882 382.2898       
194.6094 417.7084       185.0132 41.38094 11.00711 43.24664 10.31910 -1.865707 
15.08775 
1 1 1 9   -2  19 o 253.9308 7.160225  13849.41       759.8503 13418.57       
1020.417 14385.66       1138.423 249.7660 9.731177 258.0956 10.50616 -8.329514 
14.32045 
1 1 1 9   -2  20 o 69.44283 5.106164  1013.958       147.5519 845.7886       
197.7533 1225.169       221.6201 62.99273 7.477467 75.89292 6.955509 -12.90019 
10.21233 
1 1 1 9   -2  21 o 75.21062 5.220284  1196.151       164.8361 0.000000       
0.000000 1196.151       164.8361 ?        ?        75.21062 5.220284 ? ? 
1 1 1 9   -2  22 o 66.05799 4.845155  911.6819       121.3647 967.3284       
230.0317 890.2170       142.8672 67.24896 8.147478 64.86702 5.246017 2.381943 
9.690310 
1 1 1 9   -2  23 o 86.53300 4.266731  1524.816       143.9424 1771.582       
265.0143 1421.553       171.4342 91.12139 6.927397 81.94460 4.983085 9.176788 
8.533462 
1 1 1 9   -2  24 o 41.75986 6.868293  334.1280       105.5431 548.2827       
217.7224 268.3447       120.6694 48.96844 10.87627 34.55128 8.390508 14.41716 
13.73659 
1 1 1 9   -2  25 o 46.69525 6.603344  493.7267       115.0263 473.9946       
215.5018 501.5880       136.0235 45.09880 11.37563 48.29171 6.709071 -3.192909 
13.20669 
1 1 1 9   -2  26 o 52.48402 5.410115  518.5344       109.7662 842.7619       
212.3459 400.3069       128.2266 62.01170 8.156265 42.95633 7.110042 19.05537 
10.82023 
1 1 1 9   -2  27 o 95.58334 4.203693  1890.728       152.4187 2172.563       
293.3580 1786.515       178.3863 99.72738 7.006557 91.43932 4.646754 8.288063 
8.407387 
1 1 1 9   -2  28 o 52.06002 5.164818  594.3447       103.5074 617.7169       
189.2657 584.3715       123.6344 52.23252 8.630821 51.88752 5.675414 0.3450012 
10.32964 
1 1 1 9   -2  29 o 65.30865 4.554720  975.4338       114.3182 856.2289       
199.8373 1033.419       139.3760 61.49253 7.740611 69.12479 4.802587 -7.632256 
9.109440 
1 1 1 9   -2  30 f 79.55191 4.151066  1432.490       132.6905 1279.461       
214.0674 1527.973       169.0933 75.33566 6.768167 83.76817 4.808045 -8.432510 
8.302132 
1 1 1 9   -2  31 o 51.88373 5.918015  704.7060       109.6083 496.8569       
191.7547 805.5748       133.5828 43.42588 10.59658 60.34158 5.272965 -16.91569 
11.83603 
1 1 1 9   -2  32 f 64.71809 5.107340  964.5604       118.0884 1021.300       
240.5854 946.5520       135.5390 64.09849 8.940104 65.33770 4.941074 -1.239212 
10.21468 
1 1 1 9   -2  33 o 44.31931 7.532398  549.3063       123.1900 557.8489       
264.7891 546.9467       139.1686 40.62634 13.38958 48.01227 6.904147 -7.385929 
15.06480 
1 1 1 9   -2  34 o 50.96659 7.427276  710.8237       123.3460 848.1218       
286.2301 679.5123       136.6890 48.40793 13.55207 53.52526 6.082693 -5.117329 
14.85455 
1 1 1 9   -2  35 o 24.57444 7.458448  112.5931       111.5535 388.6617       
252.7787 45.82419       124.3137 30.38195 12.43818 18.76692 8.234406 11.61503 
14.91690 
1 1 1 9   -1  0  o 357.1416 5.648357  27257.35       684.3292 27538.80       
769.9030 26198.18       1493.529 361.9549 5.066436 352.3283 10.09688 9.626587 
11.29671 
1 1 1 9   -1  1  o 348.9856 5.526289  25914.58       671.0696 26128.92       
761.7031 25171.28       1418.470 352.5603 5.146042 345.4109 9.781498 7.149445 
11.05258 
1 1 1 9   -1  2  o 164.2091 3.333836  5720.590       224.7668 5945.571       
292.2878 5395.027       351.6052 168.2194 4.138621 160.1988 5.227777 8.020569 
6.667672 
1 1 1 9   -1  3  o 239.8175 3.513361  12131.52       324.1189 11981.38       
590.0704 12196.39       387.8724 238.6877 5.888366 240.9473 3.834316 -2.259521 
7.026723 
1 1 1 9   -1  4  o 303.9789 5.024698  19448.34       639.0803 19461.13       
943.5660 19437.50       868.6652 304.0377 7.392067 303.9201 6.807913 0.1175537 
10.04940 
1 1 1 9   -1  5  o 212.1976 2.424918  9395.518       208.4279 9225.644       
261.1625 9693.520       345.9068 209.5902 2.967980 214.8050 3.835622 -5.214828 
4.849835 
1 1 1 9   -1  6  o 195.0885 4.133572  7997.240       338.3619 7808.223       
468.8232 8202.737       488.8359 192.6877 5.795303 197.4893 5.895772 -4.801529 
8.267143 
1 1 1 9   -1  7  o 251.2171 3.182050  13239.62       333.7730 13048.44       
447.6558 13478.96       500.8662 249.1919 4.278892 253.2422 4.710929 -4.050308 
6.364100 
1 1 1 9   -1  8  o 538.4967 9.627989  62014.19       1935.571 62626.94       
2274.663 60406.20       3684.802 544.6707 9.947274 532.3228 16.48771 12.34790 
19.25598 
1 1 1 9   -1  9  o 130.8001 3.360844  3607.240       183.9069 3429.481       
267.3698 3766.861       253.3625 127.7235 4.986118 133.8766 4.507738 -6.153084 
6.721687 
1 1 1 9   -1  10 o 444.2386 15.56108  42745.82       2891.739 43703.26       
3954.394 41645.31       4239.554 450.2178 20.92080 438.2593 23.04146 11.95853 
31.12216 
1 1 1 9   -1  11 o 389.5726 14.55874  32719.82       2370.892 32448.93       
3202.667 33048.28       3526.583 388.2629 19.64749 390.8824 21.48964 -2.619537 
29.11749 
1 1 1 9   -1  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   -1  13 o 315.5253 11.30728  21424.44       1451.379 20953.51       
2347.973 21715.65       1846.381 311.8776 17.93205 319.1731 13.77895 -7.295532 
22.61455 
1 1 1 9   -1  14 o 54.35252 5.772913  622.6573       131.3208 695.0869       
190.2723 556.7731       181.4714 57.37514 7.899015 51.32990 8.420907 6.045250 
11.54583 
1 1 1 9   -1  15 o 205.8922 8.249672  9032.909       712.5392 8563.366       
1001.022 9515.160       1014.478 200.4074 11.89737 211.3769 11.43158 -10.96948 
16.49934 
1 1 1 9   -1  16 o 23.34955 6.988029  8.214673       118.3997 11.22448       
168.6026 5.286299       166.3061 23.53168 9.935748 23.16742 9.829097 0.3642597 
13.97606 
1 1 1 9   -1  17 o 131.4522 5.102634  3642.825       280.9536 3433.046       
381.8163 3890.533       414.8989 127.3539 7.141071 135.5505 7.290584 -8.196564 
10.20527 
1 1 1 9   -1  18 o 133.1454 5.162371  3631.245       273.0038 3383.852       
330.8605 4158.999       483.2447 126.4755 6.231027 139.8153 8.232533 -13.33980 
10.32474 
1 1 1 9   -1  19 o 134.1217 5.272449  3804.444       289.3249 3730.529       
368.2811 3923.609       467.6158 132.6172 6.614554 135.6261 8.212340 -3.008865 
10.54490 
1 1 1 9   -1  20 o 243.8544 8.049594  13078.42       715.3179 13254.59       
831.7205 12577.83       1401.989 249.1615 7.950923 238.5473 13.99881 10.61414 
16.09919 
1 1 1 9   -1  21 o 196.3341 6.014247  8470.204       456.7433 7655.150       
801.3515 8862.390       555.8733 188.3580 10.13352 204.3103 6.480473 -15.95230 
12.02849 
1 1 1 9   -1  22 o 189.1532 7.240544  7751.593       532.3547 7651.183       
947.7551 7797.875       643.4531 187.2393 12.05647 191.0671 8.021436 -3.827789 
14.48109 
1 1 1 9   -1  23 o 133.3539 8.604242  3816.500       481.7231 3816.500       
481.7231 0.000000       0.000000 133.3539 8.604242 ?        ?        ? ? 
1 1 1 9   -1  24 o 162.3002 5.546208  5660.954       365.8861 5651.163       
596.2457 5666.869       463.3943 161.7160 8.781999 162.8843 6.776298 -1.168350 
11.09242 
1 1 1 9   -1  25 f 123.9251 4.231123  3259.337       202.4506 3332.657       
368.5899 3227.662       242.2662 124.5050 7.051438 123.3452 4.678337 1.159767 
8.462246 
1 1 1 9   -1  26 o 95.78015 4.586400  2041.981       165.7275 1809.336       
301.3564 2142.845       198.4273 91.18221 7.872115 100.3781 4.708510 -9.195892 
9.172800 
1 1 1 9   -1  27 o 120.2684 4.584570  3035.126       216.9661 3403.361       
389.1320 2869.007       261.3628 124.8448 7.424161 115.6919 5.380983 9.152901 
9.169141 
1 1 1 9   -1  28 o 79.73248 4.191893  1369.312       135.3423 1410.831       
224.1848 1345.502       169.7711 80.35535 6.645267 79.10960 5.111585 1.245758 
8.383786 
1 1 1 9   -1  29 o 45.55134 5.838128  480.7079       99.84795 467.3654       
179.9966 486.6385       120.0043 43.96187 9.978441 47.14080 6.063468 -3.178936 
11.67626 
1 1 1 9   -1  30 o 18.90880 5.961991  -57.54741      94.52734 57.09824       
155.7312 -124.4287      118.9458 22.94537 9.611773 14.87224 7.056571 8.073133 
11.92398 
1 1 1 9   -1  31 o 67.07743 4.310241  1012.370       114.3779 985.2227       
195.4115 1026.517       141.0673 65.66293 7.088443 68.49194 4.905779 -2.829010 
8.620481 
1 1 1 9   -1  32 o 49.12378 5.739979  543.0647       103.3799 677.1954       
202.1378 495.5539       120.3038 51.47541 9.708518 46.77215 6.126509 4.703262 
11.47996 
1 1 1 9   -1  33 o 39.38829 7.890750  376.9819       116.1162 601.6584       
258.8024 320.3547       129.9277 43.60016 13.09428 35.17641 8.808841 8.423744 
15.78150 
1 1 1 9   -1  34 o 41.96620 7.893179  498.3146       124.7394 601.4868       
271.3385 470.6669       140.4621 41.02173 13.55416 42.91067 8.092827 -1.888943 
15.78636 
1 1 1 9   -1  35 o 75.05219 6.009096  1394.146       152.8783 1752.860       
339.8167 1303.121       171.1797 75.66267 10.69754 74.44171 5.477180 1.220963 
12.01819 
1 1 1 9   0   0  o 267.3182 4.973693  15014.52       552.3594 14869.74       
728.6238 15210.15       846.9761 265.8535 6.528028 268.7830 7.505688 -2.929413 
9.947387 
1 1 1 9   0   1  o 141.7156 2.294613  4223.775       136.2511 4116.104       
197.5430 4321.476       188.1744 139.9878 3.361186 143.4434 3.124648 -3.455566 
4.589226 
1 1 1 9   0   2  o 17.34217 4.643827  44.63841       46.44580 45.61897       
65.73486 43.66087       65.63383 17.41752 6.577512 17.26683 6.557199 0.1506939 
9.287655 
1 1 1 9   0   3  o 533.3152 8.414180  60570.09       1760.190 58954.10       
3078.754 61354.80       2145.401 527.2723 13.90788 539.3582 9.474413 -12.08582 
16.82836 
1 1 1 9   0   4  f 141.8142 3.396971  4210.537       200.8673 4094.383       
267.2093 4361.456       304.5846 139.5826 4.559752 144.0458 5.036497 -4.463120 
6.793941 
1 1 1 9   0   5  o 235.7239 4.738837  11708.85       467.9770 11991.06       
645.8478 11396.88       679.0378 238.7399 6.443565 232.7079 6.950307 6.032074 
9.477674 
1 1 1 9   0   6  o 173.1375 2.724881  6218.757       190.3564 6578.638       
320.6110 6022.823       236.5663 176.9401 4.315919 169.3348 3.327573 7.605225 
5.449762 
1 1 1 9   0   7  o 209.0478 2.734931  9179.774       238.8478 9194.420       
356.0383 9167.789       322.0734 209.1910 4.053916 208.9046 3.672213 0.2863617 
5.469861 
1 1 1 9   0   8  o 137.8051 2.970541  4014.398       163.9134 4072.165       
204.0301 3909.250       275.2679 139.2326 3.490394 136.3775 4.807662 2.855042 
5.941082 
1 1 1 9   0   9  o 122.1956 2.947283  3129.337       150.2577 3208.947       
226.7219 3066.983       200.6514 123.5718 4.370139 120.8194 3.955731 2.752403 
5.894567 
1 1 1 9   0   10 o 338.6801 10.07841  23368.93       926.4364 23066.51       
984.2171 25720.04       2744.254 330.9913 7.082644 346.3689 18.87150 -15.37762 
20.15682 
1 1 1 9   0   11 o 152.7189 6.018251  4873.468       383.0491 5276.938       
585.8433 4572.174       506.2563 158.1642 8.822557 147.2736 8.187787 10.89053 
12.03650 
1 1 1 9   0   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   0   13 o 234.9279 8.673148  11703.16       854.8948 11158.01       
1188.607 12287.40       1230.488 229.2483 12.34961 240.6075 12.18118 -11.35918 
17.34630 
1 1 1 9   0   14 o 137.4518 4.752689  3978.969       274.1270 4160.607       
392.4247 3805.867       383.0920 140.5191 6.651846 134.3846 6.790079 6.134506 
9.505379 
1 1 1 9   0   15 o 159.4869 6.527953  5389.479       436.6560 5138.608       
619.8104 5636.683       615.2644 155.7626 9.477997 163.2112 8.979102 -7.448547 
13.05591 
1 1 1 9   0   16 o 108.3908 4.559118  2485.166       206.2297 2820.595       
293.5337 2158.198       289.8077 115.6655 6.044705 101.1161 6.826696 14.54940 
9.118237 
1 1 1 9   0   17 o 100.9456 4.768306  2153.193       202.0597 2196.861       
286.4427 2109.942       285.0733 101.9695 6.690962 99.92178 6.795438 2.047729 
9.536612 
1 1 1 9   0   18 o 190.4940 5.432820  7692.014       434.3144 7402.071       
605.6995 7998.851       623.0966 186.7913 7.723632 194.1966 7.642488 -7.405273 
10.86564 
1 1 1 9   0   19 o 152.7681 4.773581  4914.977       305.0953 4554.952       
411.1559 5356.124       455.1268 146.5989 6.680317 158.9373 6.820680 -12.33844 
9.547162 
1 1 1 9   0   20 o 149.6481 5.164778  4774.237       304.4306 4737.081       
530.5265 4792.479       371.7209 148.8614 8.488793 150.4348 5.885585 -1.573410 
10.32956 
1 1 1 9   0   21 o 133.1849 4.221599  3851.421       219.8123 3498.916       
379.3954 4029.538       269.6882 128.2314 7.047237 138.1385 4.650165 -9.907089 
8.443197 
1 1 1 9   0   22 o 97.16245 3.821734  1893.566       143.8708 2267.981       
269.5808 1744.457       170.1236 103.4075 6.209520 90.91740 4.456958 12.49007 
7.643468 
1 1 1 9   0   23 o 155.6192 5.490794  5214.376       332.5493 5047.893       
588.5873 5292.441       403.0443 153.2752 9.146607 157.9631 6.077404 -4.687912 
10.98159 
1 1 1 9   0   24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   0   25 o 123.2622 4.253596  3238.358       215.4725 3240.941       
341.3905 3236.648       277.7954 123.1096 6.605116 123.4147 5.361413 
-0.3050613     8.507192 
1 1 1 9   0   26 o 111.3923 4.962459  2782.923       205.5661 2425.082       
380.5050 2930.411       244.2832 105.4065 8.598326 117.3782 4.957096 -11.97163 
9.924918 
1 1 1 9   0   27 o 136.8515 4.751286  3896.490       226.2116 4324.802       
491.6258 3781.452       254.7853 140.3849 8.341331 133.3182 4.552039 7.066681 
9.502572 
1 1 1 9   0   28 o 52.39750 5.379542  641.0562       105.8651 518.9713       
177.8653 708.0334       131.7419 47.41465 9.265608 57.38035 5.468673 -9.965698 
10.75908 
1 1 1 9   0   29 o 30.76770 6.463691  230.3062       89.62675 150.4260       
162.7775 265.0598       107.3679 27.64973 10.37118 33.88567 7.717246 -6.235937 
12.92738 
1 1 1 9   0   30 o 37.24043 6.279791  303.4286       89.99821 415.6195       
169.0929 259.0856       106.3064 41.22456 9.883251 33.25629 7.750127 7.968273 
12.55958 
1 1 1 9   0   31 o 27.32587 6.476459  184.0550       89.47416 60.24729       
180.8789 224.1642       102.9522 24.05503 10.22978 30.59671 7.945419 -6.541689 
12.95292 
1 1 1 9   0   32 o 19.25293 6.120892  -12.81296      88.06340 9.002313       
184.3710 -19.26101      100.2367 22.26779 9.875199 16.23806 7.234756 6.029734 
12.24178 
1 1 1 9   0   33 f 24.77750 7.445193  62.34760       100.8232 256.8339       
257.7851 27.22429       109.5496 31.01150 12.60577 18.54350 7.925789 12.46799 
14.89039 
1 1 1 9   0   34 o 61.58369 7.368392  1001.394       128.7610 1048.976       
327.2898 992.6808       140.0549 56.64553 13.85729 66.52186 5.014815 -9.876324 
14.73678 
1 1 1 9   0   35 o 31.89066 7.489533  332.6696       119.6250 242.5673       
251.2239 359.0894       136.0374 27.85103 11.95634 35.93029 9.023220 -8.079262 
14.97907 
1 1 1 9   0   36 f 20.91761 6.617455  75.40112       107.7020 -14.28148      
250.4168 95.75559       119.2997 21.24656 10.14060 20.58866 8.504768 0.6579037 
13.23491 
1 1 1 9   1   0  o 289.6501 5.086695  17664.78       614.9371 17711.80       
826.7179 17606.53       920.0555 290.1247 6.787249 289.1755 7.578331 0.9491577 
10.17339 
1 1 1 9   1   1  o 204.7170 3.436920  8966.574       277.0703 9288.343       
340.9409 8340.789       475.4667 210.2692 3.862110 199.1649 5.686282 11.10426 
6.873841 
1 1 1 9   1   2  o 184.7927 3.228464  7078.989       228.3117 7411.816       
425.4471 6944.375       270.5719 187.7620 5.397081 181.8233 3.544493 5.938660 
6.456927 
1 1 1 9   1   3  o 92.53249 2.441164  1801.059       92.86790 1811.302       
119.9369 1785.724       146.7545 92.86744 3.076171 92.19755 3.791344 0.6698914 
4.882327 
1 1 1 9   1   4  o 67.50833 2.235690  954.5516       63.27374 892.6662       
87.03149 1023.935       92.15315 65.19357 3.179748 69.82309 3.143636 -4.629517 
4.471380 
1 1 1 9   1   5  f 305.1760 4.288416  19667.01       542.8715 20131.93       
719.2476 19051.52       827.5710 309.4333 5.536463 300.9186 6.550544 8.514740 
8.576832 
1 1 1 9   1   6  o 217.6109 4.204092  10006.05       377.3091 9700.455       
586.8765 10221.37       492.6085 214.7248 6.510069 220.4971 5.321329 -5.772324 
8.408183 
1 1 1 9   1   7  o 335.0123 6.009523  23735.32       831.7211 23165.84       
1288.877 24141.68       1088.749 331.4347 9.262636 338.5899 7.659050 -7.155212 
12.01905 
1 1 1 9   1   8  o 173.3952 3.878043  6304.515       279.4912 6441.497       
428.5988 6203.167       368.6592 175.0107 5.833208 171.7796 5.111807 3.231049 
7.756087 
1 1 1 9   1   9  f 202.6040 2.832705  8629.518       234.1729 8645.759       
298.0921 8603.343       378.4489 202.8747 3.499804 202.3333 4.455136 0.5413818 
5.665410 
1 1 1 9   1   10 o 97.71654 2.700010  2023.396       108.7128 2104.917       
142.4353 1909.640       168.2573 100.1033 3.389146 95.32980 4.204035 4.773476 
5.400021 
1 1 1 9   1   11 o 263.4681 9.305669  14718.80       1020.221 14771.28       
1550.067 14678.69       1355.125 263.7013 14.00101 263.2349 12.26187 0.4663696 
18.61134 
1 1 1 9   1   12 o 276.1718 11.27131  16141.25       1306.870 16141.25       
1306.870 0.000000       0.000000 276.1718 11.27131 ?        ?        ? ? 
1 1 1 9   1   13 o 312.4265 17.09295  20909.02       2242.042 0.000000       
0.000000 20909.02       2242.042 ?        ?        312.4265 17.09295 ? ? 
1 1 1 9   1   14 o 96.00720 5.073012  1949.431       202.7769 1644.911       
284.2146 2265.153       289.3954 88.31673 7.665216 103.6977 6.647276 -15.38094 
10.14602 
1 1 1 9   1   15 o 254.5515 7.478471  13773.10       783.0713 13571.72       
1232.664 13909.37       1013.957 252.7229 11.61772 256.3802 9.420119 -3.657227 
14.95694 
1 1 1 9   1   16 o 139.3804 5.711105  4098.210       331.4150 4171.873       
504.1307 4042.146       439.8092 140.4223 8.551222 138.3386 7.572549 2.083710 
11.42221 
1 1 1 9   1   17 o 99.19649 4.223323  2086.192       174.9270 2273.118       
243.2930 1886.143       251.6889 103.8502 5.580118 94.54277 6.340987 9.307434 
8.446646 
1 1 1 9   1   18 o 97.91472 4.113914  2004.233       163.2818 1951.984       
204.4787 2096.176       271.2507 96.23420 5.061040 99.59524 6.487142 -3.361038 
8.227827 
1 1 1 9   1   19 o 83.69566 4.502253  1456.617       155.7406 1347.204       
200.3729 1623.586       247.5268 79.83282 5.978313 87.55851 6.733564 -7.725693 
9.004505 
1 1 1 9   1   20 o 155.1236 5.309747  5077.480       316.1609 5220.645       
582.6275 5017.728       376.3996 156.2549 8.881340 153.9924 5.821981 2.262421 
10.61949 
1 1 1 9   1   21 o 71.42050 4.129783  953.1563       109.0093 1362.527       
228.1138 832.0051       124.0957 80.07152 6.785697 62.76949 4.709006 17.30203 
8.259566 
1 1 1 9   1   22 o 84.65732 4.177257  1480.220       134.9605 1611.571       
254.6866 1428.935       159.1412 87.04646 6.969089 82.26817 4.607570 4.778282 
8.354513 
1 1 1 9   1   23 o 63.30652 4.667723  869.9890       116.4232 794.4320       
198.2200 909.7812       143.8499 61.02312 7.737028 65.58992 5.223882 -4.566795 
9.335445 
1 1 1 9   1   24 o 183.6301 5.659404  7170.317       403.0653 7331.734       
727.8326 7098.916       484.0710 184.4541 9.398622 182.8060 6.307246 1.648178 
11.31881 
1 1 1 9   1   25 o 89.07409 4.453920  1605.315       141.6130 1856.365       
300.3444 1533.548       160.5836 93.00125 7.692223 85.14693 4.492140 7.854324 
8.907840 
1 1 1 9   1   26 o 124.7664 8.070793  3370.933       422.7590 3370.933       
422.7590 0.000000       0.000000 124.7664 8.070793 ?        ?        ? ? 
1 1 1 9   1   27 o 57.42678 5.830961  776.5364       109.2387 646.3777       
228.0722 815.2852       124.4413 52.95181 10.63355 61.90175 4.788313 -8.949944 
11.66192 
1 1 1 9   1   28 o 65.71159 4.084330  925.8390       106.0148 936.4243       
184.4084 920.6135       129.5661 65.72668 6.682824 65.69650 4.697536 
0.3018188E-01  8.168659 
1 1 1 9   1   29 o 20.44198 6.145977  -22.53828      87.95296 108.6279       
159.1307 -80.23283      105.5384 25.78872 10.10822 15.09524 6.993997 10.69347 
12.29195 
1 1 1 9   1   30 o 51.11688 5.130812  579.3696       102.8084 591.3767       
181.1071 573.6607       124.8797 50.96619 8.463975 51.26757 5.801900 
-0.3013763     10.26162 
1 1 1 9   1   31 o 57.44434 5.524016  851.9276       105.3809 573.6683       
197.9981 961.9031       124.4757 48.15184 10.11544 66.73682 4.442629 -18.58498 
11.04803 
1 1 1 9   1   32 o 34.30609 7.137453  283.9023       95.01360 323.7773       
215.7223 274.3051       105.8317 34.73362 12.06786 33.87856 7.624939 0.8550682 
14.27491 
1 1 1 9   1   33 o 56.05486 6.921153  709.9969       125.1338 963.4739       
295.1072 654.4310       138.1703 58.37407 12.41368 53.73564 6.124539 4.638428 
13.84231 
1 1 1 9   1   34 o 21.80161 6.966254  14.14684       103.8079 95.40884       
253.3864 -2.242987      113.7959 26.04955 11.56149 17.55367 7.774752 8.495886 
13.93251 
1 1 1 9   1   35 o 43.39550 7.240159  547.5093       113.4371 510.2369       
252.8921 556.8978       126.9222 38.08941 13.08231 48.70159 6.207486 -10.61217 
14.48032 
1 1 1 9   1   36 o 34.24221 6.714880  432.0310       122.5549 91.69241       
297.9803 501.3222       134.4531 24.07824 11.32905 44.40619 7.211879 -20.32794 
13.42976 
1 1 1 9   2   0  o 205.9507 3.353526  9019.751       283.6954 9486.641       
370.6723 8359.524       440.7878 212.4889 4.155038 199.4125 5.264999 13.07637 
6.707053 
1 1 1 9   2   1  o 261.6389 3.275243  14165.65       313.6609 14836.44       
627.9490 13942.65       362.0640 265.6329 5.630714 257.6449 3.347225 7.988037 
6.550485 
1 1 1 9   2   2  o 121.4118 2.554334  3126.832       125.1902 2983.131       
205.3116 3211.884       157.9510 119.1574 4.104058 123.6661 3.042235 -4.508675 
5.108668 
1 1 1 9   2   3  o 179.8869 3.422974  6866.505       251.3637 7099.501       
323.0502 6508.993       400.1672 183.8193 4.186008 175.9545 5.417042 7.864807 
6.845949 
1 1 1 9   2   4  o 177.8211 3.294254  6735.642       223.7630 6868.432       
267.4173 6425.562       408.6426 180.8271 3.522468 174.8152 5.567824 6.011856 
6.588509 
1 1 1 9   2   5  o 372.5329 4.891932  29228.58       750.1704 29322.71       
970.7083 29089.00       1182.039 373.3710 6.192545 371.6947 7.574721 1.676331 
9.783865 
1 1 1 9   2   6  o 48.95471 3.195864  501.3568       65.37716 437.1389       
89.50417 574.8092       95.72337 45.60731 4.674444 52.30211 4.359331 -6.694805 
6.391728 
1 1 1 9   2   7  o 535.0560 11.06350  60886.89       2484.870 60565.96       
3539.748 61198.69       3489.073 533.5972 15.80083 536.5148 15.48993 -2.917542 
22.12700 
1 1 1 9   2   8  o 151.8357 2.914095  4804.843       176.8547 4970.587       
302.6549 4718.904       217.9339 153.7875 4.687571 149.8839 3.463306 3.903564 
5.828191 
1 1 1 9   2   9  o 451.4164 7.481891  43131.00       1080.605 42899.41       
2566.195 43180.92       1191.382 449.7773 13.58980 453.0556 6.263551 -3.278259 
14.96378 
1 1 1 9   2   10 o 341.2112 6.885018  24503.97       963.6860 24887.04       
1541.468 24258.19       1234.727 343.2048 10.69799 339.2177 8.669886 3.987091 
13.77004 
1 1 1 9   2   11 o 253.5671 6.523468  13509.87       684.4549 13884.32       
1068.560 13249.35       891.3044 256.4345 9.925292 250.6997 8.468243 5.734848 
13.04694 
1 1 1 9   2   12 o 236.9688 11.34563  11882.23       1128.752 11882.23       
1128.752 0.000000       0.000000 236.9688 11.34563 ?        ?        ? ? 
1 1 1 9   2   13 o 350.1582 13.40043  26046.42       1969.981 0.000000       
0.000000 26046.42       1969.981 ?        ?        350.1582 13.40043 ? ? 
1 1 1 9   2   14 o 147.3342 6.047110  4560.761       370.9491 4737.018       
566.5676 4428.513       490.7628 149.7709 9.010429 144.8976 8.067362 4.873245 
12.09422 
1 1 1 9   2   15 o 199.4143 7.194366  8431.286       601.4228 8679.707       
836.2629 8165.145       865.5747 202.5173 9.835618 196.3113 10.50220 6.206039 
14.38873 
1 1 1 9   2   16 o 170.3670 6.069575  6164.660       426.7836 5980.573       
662.1594 6295.479       558.1960 168.0614 9.384597 172.6725 7.699890 -4.611145 
12.13915 
1 1 1 9   2   17 o 130.2836 4.913550  3585.904       265.8741 3600.530       
351.6436 3566.383       406.2446 130.6490 6.410882 129.9182 7.447986 0.7308350 
9.827100 
1 1 1 9   2   18 o 173.3202 5.353889  6434.860       313.6312 6489.156       
352.3354 6227.658       688.2877 175.5307 4.781060 171.1097 9.581125 4.421021 
10.70778 
1 1 1 9   2   19 o 22.89205 6.473464  41.02829       87.55565 110.6360       
161.9830 12.29701       104.0683 27.03244 10.29086 18.75167 7.856287 8.280773 
12.94693 
1 1 1 9   2   20 o 124.1456 4.589730  3281.035       212.2123 3229.163       
406.7141 3300.440       248.7589 123.2055 7.862858 125.0858 4.736873 -1.880318 
9.179461 
1 1 1 9   2   21 o 117.2172 4.305850  2919.753       202.2236 2883.653       
340.1084 2939.496       251.5117 116.4878 6.954371 117.9466 5.079182 -1.458801 
8.611700 
1 1 1 9   2   22 o 117.4643 4.024137  2874.783       187.6097 3067.246       
327.8749 2781.092       228.7603 120.1822 6.498141 114.7465 4.748565 5.435692 
8.048273 
1 1 1 9   2   23 o 156.9086 5.194667  5111.082       311.8636 5567.417       
585.6824 4930.492       368.4401 161.2382 8.651974 152.5789 5.751663 8.659332 
10.38933 
1 1 1 9   2   24 o 74.79881 3.776479  1109.181       111.6189 1407.915       
202.9980 979.7226       133.6334 81.49113 5.933383 68.10650 4.673558 13.38464 
7.552958 
1 1 1 9   2   25 o 63.78832 4.222510  852.5756       104.1769 895.0655       
190.4224 834.4263       124.4531 64.76457 7.003283 62.81208 4.719364 1.952496 
8.445020 
1 1 1 9   2   26 o 114.0937 4.356018  2815.771       179.5153 2700.927       
357.5331 2854.483       207.5770 112.0329 7.601367 116.1544 4.256617 -4.121513 
8.712036 
1 1 1 9   2   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   2   28 o 51.45932 4.709052  532.3395       96.55135 703.9221       
172.9769 454.6885       116.3657 56.92822 7.237383 45.99042 6.026689 10.93780 
9.418104 
1 1 1 9   2   29 o 30.76884 6.213692  234.3775       91.23866 72.44590       
162.7032 308.6564       110.1952 24.59594 10.00908 36.94175 7.366013 -12.34581 
12.42738 
1 1 1 9   2   30 o 49.48940 5.776177  631.7090       100.5229 391.9113       
177.8015 744.3676       121.8695 40.18935 10.44399 58.78944 4.937609 -18.60009 
11.55235 
1 1 1 9   2   31 o 35.53790 6.380463  143.9585       91.12459 671.3994       
215.3934 28.97723       100.5678 52.48558 10.13671 18.59023 7.751662 33.89534 
12.76093 
1 1 1 9   2   32 o 33.75745 6.937024  228.7321       92.09042 435.0774       
194.0466 168.7481       104.6229 40.83820 11.04971 26.67669 8.390059 14.16150 
13.87405 
1 1 1 9   2   33 o 33.25970 7.841215  271.5902       109.5263 329.2208       
259.2187 259.0655       120.8431 34.32280 13.03219 32.19660 8.723573 2.126194 
15.68243 
1 1 1 9   2   34 o 25.75229 7.273617  143.4985       103.7857 109.2201       
244.8037 151.0096       114.5938 26.51568 11.59534 24.98889 8.784650 1.526796 
14.54723 
1 1 1 9   2   35 o 33.02725 7.468450  324.7457       113.5946 249.7587       
251.8238 343.9019       127.2797 29.61219 12.30173 36.44231 8.472220 -6.830128 
14.93690 
1 1 1 9   2   36 o 55.95757 7.385924  918.7451       128.4380 885.4526       
293.7006 926.6174       142.8182 48.72575 13.75594 63.18940 5.383447 -14.46365 
14.77185 
1 1 1 9   3   0  o 344.2938 5.262581  25174.16       714.2849 25607.86       
875.4155 24310.32       1235.490 348.9456 5.975545 339.6421 8.664404 9.303558 
10.52516 
1 1 1 9   3   1  o 289.2420 4.530007  17710.27       452.0637 17795.07       
510.9483 17404.64       969.9733 291.0232 4.181869 287.4608 8.037152 3.562408 
9.060014 
1 1 1 9   3   2  o 267.6199 4.237330  15070.44       470.2818 15011.13       
723.0425 15113.92       619.1387 267.1241 6.447211 268.1158 5.500303 
-0.9917908     8.474660 
1 1 1 9   3   3  o 141.8636 2.850868  4229.707       164.3802 4234.149       
207.9443 4222.306       268.3931 141.9780 3.488568 141.7492 4.509953 0.2288208 
5.701735 
1 1 1 9   3   4  o 104.0429 2.571165  2281.436       111.6789 2194.835       
165.1641 2354.381       151.5838 102.2136 3.848824 105.8722 3.410294 -3.658669 
5.142330 
1 1 1 9   3   5  o 157.0158 3.359263  5109.793       214.7020 4903.024       
269.6982 5467.579       354.7691 152.7589 4.205258 161.2727 5.239694 -8.513840 
6.718526 
1 1 1 9   3   6  o 203.6191 3.920136  8724.555       333.7215 8798.055       
452.8127 8637.165       493.7464 204.5743 5.272160 202.6639 5.802948 1.910477 
7.840273 
1 1 1 9   3   7  o 41.02016 3.674208  353.5569       63.19584 329.5377       
88.30984 378.7679       90.47430 39.59156 5.312850 42.44875 5.076698 -2.857189 
7.348417 
1 1 1 9   3   8  o 215.5293 3.679365  9670.412       300.9095 9987.506       
566.9794 9546.076       355.0368 217.8994 6.197726 213.1593 3.967256 4.740097 
7.358731 
1 1 1 9   3   9  o 220.6029 4.735669  9908.508       405.7073 11111.05       
747.7325 9406.774       482.9838 229.6889 7.754025 211.5168 5.438871 18.17218 
9.471337 
1 1 1 9   3   10 o 305.7612 4.253736  19770.44       491.0705 19422.97       
921.3624 19908.31       580.3752 303.7375 7.225254 307.7848 4.491411 -4.047272 
8.507471 
1 1 1 9   3   11 o 299.3693 8.859843  18539.98       955.2581 18132.82       
1092.771 19859.21       1967.027 293.2365 8.876302 305.5020 15.33618 -12.26550 
17.71969 
1 1 1 9   3   12 o 120.2828 4.519624  3085.482       223.7186 2810.885       
343.5993 3287.563       294.7586 115.5407 7.083343 125.0248 5.615538 -9.484100 
9.039248 
1 1 1 9   3   13 o 161.2642 9.157881  5488.653       620.0288 0.000000       
0.000000 5488.653       620.0288 ?        ?        161.2642 9.157881 ? ? 
1 1 1 9   3   14 o 108.8827 4.674412  2519.725       211.2439 2306.729       
315.2591 2693.283       284.5791 104.6378 7.176293 113.1277 5.991772 -8.489876 
9.348825 
1 1 1 9   3   15 o 288.1526 10.22551  17790.11       1213.662 17338.37       
1896.262 18103.56       1579.567 284.5592 15.87255 291.7459 12.89598 -7.186768 
20.45102 
1 1 1 9   3   16 o 117.1675 4.951936  2902.840       241.6274 2962.413       
323.7756 2827.956       363.0045 118.5643 6.504463 115.7708 7.468511 2.793449 
9.903872 
1 1 1 9   3   17 o 201.0659 5.978700  8476.671       414.2675 8419.846       
466.8411 8687.198       898.5686 199.9373 5.561555 202.1944 10.58530 -2.257111 
11.95740 
1 1 1 9   3   18 o 189.0297 6.395481  7631.228       490.1800 7778.885       
621.2202 7387.620       797.9282 191.7447 7.716907 186.3147 10.20088 5.430023 
12.79096 
1 1 1 9   3   19 o 137.1914 5.246360  3800.685       264.9627 4377.747       
536.6404 3614.656       304.6922 143.4873 8.908222 130.8956 5.544436 12.59171 
10.49272 
1 1 1 9   3   20 o 116.1070 4.526019  2919.542       204.0014 2672.562       
357.6071 3038.690       248.3812 112.1901 7.592290 120.0239 4.929149 -7.833862 
9.052037 
1 1 1 9   3   21 o 55.47768 5.319956  725.6759       102.1516 539.7480       
191.0675 800.0914       120.8778 49.38009 9.557410 61.57526 4.675857 -12.19517 
10.63991 
1 1 1 9   3   22 o 126.9446 3.934118  3466.820       196.6056 3246.161       
337.8722 3579.786       241.7486 123.6459 6.508696 130.2434 4.421088 -6.597572 
7.868236 
1 1 1 9   3   23 o 25.38892 6.874422  97.95242       96.51395 87.96746       
176.1194 102.2379       115.3816 26.68412 10.58048 24.09371 8.779757 2.590418 
13.74884 
1 1 1 9   3   24 o 221.4713 5.716307  10514.62       479.1511 10398.91       
894.7081 10561.16       567.3715 219.7593 9.697395 223.1832 6.055180 -3.423889 
11.43261 
1 1 1 9   3   25 o 38.96270 6.208148  333.6124       91.74393 344.9036       
171.9020 329.1153       108.4861 39.18409 10.30961 38.74130 6.919271 0.4427948 
12.41630 
1 1 1 9   3   26 o 85.59509 4.104309  1569.244       131.2541 1533.719       
249.6736 1582.812       154.2953 84.66164 7.024366 86.52853 4.247314 -1.866898 
8.208617 
1 1 1 9   3   27 o 21.09784 6.346419  6.233344       89.73730 50.65325       
167.7792 -11.56545      106.2049 24.46532 10.09429 17.73036 7.695031 6.734957 
12.69284 
1 1 1 9   3   28 o 36.74489 7.411171  302.5281       110.3224 0.000000       
0.000000 302.5281       110.3224 ?        ?        36.74489 7.411171 ? ? 
1 1 1 9   3   29 o 61.74149 4.584705  867.8121       104.7633 729.6998       
193.0455 925.4675       124.7279 57.58865 7.984427 65.89433 4.508548 -8.305672 
9.169411 
1 1 1 9   3   30 o 88.86853 3.950697  1681.098       127.8573 1762.265       
256.7329 1654.328       147.4425 89.63528 6.822186 88.10178 3.986201 1.533501 
7.901394 
1 1 1 9   3   31 o 66.66902 4.554110  1011.870       106.5926 917.2693       
216.0391 1042.310       122.5476 63.61411 8.089095 69.72392 4.186432 -6.109810 
9.108220 
1 1 1 9   3   32 o 27.49092 6.954815  174.2313       100.6519 96.33689       
190.1039 204.5724       118.6462 25.79772 10.70096 29.18412 8.886347 -3.386400 
13.90963 
1 1 1 9   3   33 o 76.86798 5.479829  1418.833       142.1416 1284.373       
299.3011 1457.991       161.5184 72.03587 9.896478 81.70010 4.708912 -9.664223 
10.95966 
1 1 1 9   3   34 o 56.81252 7.080863  938.3414       126.0469 631.8444       
268.6700 1024.841       142.7294 45.58179 13.25109 68.04324 4.996312 -22.46146 
14.16173 
1 1 1 9   3   35 o 31.41964 7.401215  287.0579       114.1536 183.3155       
243.3069 316.3400       129.2639 28.00147 11.88484 34.83780 8.823979 -6.836332 
14.80243 
1 1 1 9   3   36 f 19.30172 5.998047  -35.73783      114.8449 -593.6986      
240.6431 128.8235       130.6879 15.35871 7.761899 23.24474 9.146539 -7.886034 
11.99609 
1 1 1 9   3   37 o 37.09975 5.657365  492.6628       120.1951 -71.58797      
222.5342 725.0717       142.8193 19.69419 9.437709 54.50530 6.241216 -34.81111 
11.31473 
1 1 1 9   4   0  o 360.2662 5.843712  27494.72       865.1578 28120.86       
1121.699 26575.25       1359.282 365.4969 7.309939 355.0355 9.119247 10.46146 
11.68742 
1 1 1 9   4   1  o 170.8656 2.633622  6129.965       186.3094 6151.201       
288.7156 6114.813       243.8841 171.1089 4.019006 170.6223 3.404621 0.4866028 
5.267243 
1 1 1 9   4   2  o 305.6396 5.540506  19670.82       710.9219 19482.65       
1000.339 19862.84       1010.529 304.1631 7.833607 307.1162 7.837311 -2.953033 
11.08101 
1 1 1 9   4   3  o 257.1957 3.250369  13910.88       348.2637 13979.93       
465.1533 13822.80       525.3633 257.9404 4.295341 256.4510 4.879512 1.489441 
6.500738 
1 1 1 9   4   4  o 452.4252 7.697904  43099.49       1448.577 42281.04       
1913.901 44197.13       2216.429 447.5858 10.18507 457.2647 11.54535 -9.678925 
15.39581 
1 1 1 9   4   5  o 158.8907 2.307322  5301.026       153.8472 5253.338       
213.9711 5352.066       221.3627 158.1522 3.222559 159.6292 3.303036 -1.476990 
4.614643 
1 1 1 9   4   6  o 292.9415 4.636146  17864.13       452.2660 18369.27       
1029.370 17743.30       503.4632 295.2811 8.303417 290.6018 4.126581 4.679291 
9.272292 
1 1 1 9   4   7  o 497.1445 7.256286  52305.79       1496.476 51266.78       
2288.020 53082.54       1978.282 492.5949 11.06346 501.6940 9.392265 -9.099030 
14.51257 
1 1 1 9   4   8  o 122.2318 2.940088  3111.597       150.1340 3425.402       
226.4538 2865.495       200.5428 127.6803 4.224514 116.7834 4.090225 10.89697 
5.880175 
1 1 1 9   4   9  o 119.4829 3.115342  3000.812       156.2083 3032.443       
218.4270 2967.700       223.4835 120.1297 4.330888 118.8362 4.479380 1.293533 
6.230685 
1 1 1 9   4   10 o 264.7923 5.017353  14794.24       546.1175 14933.64       
705.8365 14586.32       862.0208 266.4273 6.310249 263.1573 7.802312 3.269928 
10.03471 
1 1 1 9   4   11 o 342.6104 9.876069  24028.34       1133.452 23465.78       
1259.873 26417.02       2596.084 333.5721 8.996181 351.6487 17.58453 -18.07663 
19.75214 
1 1 1 9   4   12 o 152.6242 5.576391  4910.978       356.8661 5213.469       
506.0602 4611.751       503.3209 157.3179 7.662051 147.9305 8.104168 9.387451 
11.15278 
1 1 1 9   4   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   4   14 o 257.0417 9.180844  14045.36       983.9893 13877.70       
1475.341 14179.69       1320.621 255.4801 13.75487 258.6033 12.16369 -3.123184 
18.36169 
1 1 1 9   4   15 o 465.9089 16.02359  47307.16       2852.274 47406.75       
5244.954 47265.35       3398.775 462.5805 27.00694 469.2372 17.25246 -6.656738 
32.04718 
1 1 1 9   4   16 o 242.5900 7.624542  12566.53       719.0303 12716.38       
869.5421 12242.50       1278.642 245.3646 8.441114 239.8154 12.69969 5.549240 
15.24908 
1 1 1 9   4   17 o 149.7757 5.573877  4778.160       344.3743 4971.326       
452.4449 4512.133       530.9612 153.5021 7.020570 146.0493 8.659332 7.452835 
11.14775 
1 1 1 9   4   18 o 274.7777 8.060369  16117.50       878.7717 16058.73       
1510.731 16147.55       1080.351 273.6823 13.14806 275.8732 9.327742 -2.190887 
16.12074 
1 1 1 9   4   19 o 220.1686 6.614712  10305.72       567.6444 10321.02       
1011.368 10298.69       685.8618 219.7522 10.96218 220.5851 7.405964 
-0.8328400     13.22942 
1 1 1 9   4   20 o 76.36703 4.190332  1258.872       127.1478 1145.488       
212.7754 1321.849       158.5744 73.54736 6.890891 79.18671 4.769819 -5.639343 
8.380665 
1 1 1 9   4   21 o 108.2341 4.330192  2561.645       178.5712 2278.807       
320.7884 2688.642       214.9549 103.5569 7.378373 112.9113 4.534518 -9.354347 
8.660384 
1 1 1 9   4   22 o 134.1591 4.597185  3742.233       228.2162 3986.776       
450.4197 3657.771       264.7098 136.7110 7.847564 131.6071 4.790842 5.103973 
9.194369 
1 1 1 9   4   23 o 110.8463 3.406673  2614.209       153.5262 2519.076       
248.0349 2673.294       195.4716 109.1074 5.414765 112.5852 4.135457 -3.477753 
6.813346 
1 1 1 9   4   24 o 80.15550 3.760584  1295.487       115.8970 1517.853       
219.2961 1209.308       136.5203 84.59904 6.174282 75.71197 4.294907 8.887077 
7.521169 
1 1 1 9   4   25 o 82.10732 4.135081  1429.902       127.7028 1427.694       
241.7815 1430.756       150.3915 81.88297 7.033163 82.33166 4.350885 
-0.4486923     8.270162 
1 1 1 9   4   26 o 259.4446 7.536824  14775.16       756.8243 14500.96       
1353.342 14899.94       912.9199 255.6617 12.60849 263.2276 8.260802 -7.565964 
15.07365 
1 1 1 9   4   27 o 139.6192 4.271712  4170.187       241.2602 4124.162       
396.9830 4197.141       303.8004 138.6916 6.817778 140.5468 5.148593 -1.855209 
8.543425 
1 1 1 9   4   28 o 54.27386 4.720450  625.7360       100.4781 657.2422       
178.8160 611.1981       121.4678 55.02940 7.739851 53.51833 5.406043 1.511070 
9.440900 
1 1 1 9   4   29 f 19.65786 6.023773  -114.0372      90.59383 120.4100       
167.4955 -210.9847      107.7082 26.97784 10.41209 12.33788 6.060668 14.63996 
12.04755 
1 1 1 9   4   30 o 20.27589 9.283412  -98.29926      179.4085 -98.29926      
179.4085 0.000000       0.000000 20.27589 9.283412 ?        ?        ? ? 
1 1 1 9   4   31 o 20.51286 5.846333  41.83548       84.83833 -227.0802      
182.6622 115.8013       95.79791 17.65098 8.480750 23.37475 8.049554 -5.723770 
11.69267 
1 1 1 9   4   32 o 71.09221 4.977897  1137.129       133.3908 1125.222       
248.7482 1141.934       158.0347 69.78343 8.490412 72.40099 5.199111 -2.617561 
9.955794 
1 1 1 9   4   33 o 25.96051 7.525612  120.9164       110.5546 31.98249       
282.2498 137.0335       120.1554 27.01608 12.08563 24.90494 8.970898 2.111134 
15.05122 
1 1 1 9   4   34 o 34.13834 7.176725  339.2829       119.6039 126.1459       
237.8860 411.3881       138.3639 27.33895 11.68208 40.93773 8.339693 -13.59878 
14.35345 
1 1 1 9   4   35 o 49.06222 7.483280  749.3115       126.5455 488.1957       
288.2462 811.6540       140.8443 38.18435 13.88068 59.94009 5.596839 -21.75574 
14.96656 
1 1 1 9   4   36 o 30.30289 7.182240  272.6467       110.6282 173.2395       
215.7303 308.1152       128.8617 26.69296 11.25317 33.91281 8.927729 -7.219847 
14.36448 
1 1 1 9   4   37 o 25.01916 6.730134  174.6624       116.9885 -91.32453      
220.2843 279.1543       138.0686 19.58681 9.387124 30.45152 9.646800 -10.86472 
13.46027 
1 1 1 9   5   0  o 53.57182 2.569233  595.7047       57.33962 710.7865       
86.05828 503.8271       76.89426 58.17061 3.523791 48.97303 3.739883 9.197582 
5.138465 
1 1 1 9   5   1  o 249.8502 3.582450  12951.19       312.8093 12816.69       
353.9808 13430.57       668.2929 247.0195 3.413261 252.6809 6.299637 -5.661377 
7.164899 
1 1 1 9   5   2  o 184.3516 3.215596  7300.600       223.2286 7513.510       
264.9321 6779.453       414.4923 189.1345 3.336452 179.5686 5.498029 9.565903 
6.431192 
1 1 1 9   5   3  o 158.4070 2.897263  5162.701       164.4306 5482.437       
340.9847 5065.822       187.6958 161.5013 5.028981 155.3126 2.878518 6.188705 
5.794525 
1 1 1 9   5   4  o 150.2501 3.031567  4733.257       190.7031 4874.311       
282.0027 4614.395       258.8696 152.3041 4.410245 148.1961 4.160690 4.108063 
6.063135 
1 1 1 9   5   5  o 143.7419 3.280431  4324.446       195.5302 4233.083       
255.8977 4452.621       303.0987 141.9366 4.294307 145.5472 4.960225 -3.610580 
6.560862 
1 1 1 9   5   6  o 83.00633 2.751000  1443.538       95.71564 1379.401       
130.9009 1517.230       140.3134 81.03111 3.847796 84.98157 3.932743 -3.950462 
5.502000 
1 1 1 9   5   7  o 257.3064 3.794686  13805.46       407.0745 14849.24       
621.0373 13019.18       539.0167 265.7491 5.566304 248.8637 5.158955 16.88536 
7.589372 
1 1 1 9   5   8  o 505.1772 9.266858  54074.45       1964.092 53746.68       
2825.190 54381.04       2732.422 503.6044 13.36224 506.7500 12.84325 -3.145660 
18.53372 
1 1 1 9   5   9  o 589.3318 5.716372  73059.04       1405.942 72215.80       
1883.130 74121.04       2113.324 585.6016 7.659476 593.0620 8.487641 -7.460388 
11.43274 
1 1 1 9   5   10 o 109.2957 2.972904  2476.603       134.5310 2704.938       
211.9031 2322.429       174.1235 113.4533 4.448784 105.1381 3.944739 8.315140 
5.945809 
1 1 1 9   5   11 o 195.8065 4.103646  8061.423       337.2989 7910.819       
472.4250 8218.021       481.7367 193.9417 5.802066 197.6714 5.804798 -3.729630 
8.207293 
1 1 1 9   5   12 o 480.2880 14.87876  49660.83       2986.166 49400.36       
4029.851 49978.04       4447.059 479.4721 20.01920 481.1039 22.01684 -1.631866 
29.75751 
1 1 1 9   5   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   5   14 o 115.5246 4.802716  2813.768       229.3767 2831.374       
299.8736 2788.942       356.0999 115.9921 6.157876 115.0571 7.371899 0.9349365 
9.605433 
1 1 1 9   5   15 o 42.39454 6.795309  422.5667       123.0838 566.5804       
158.7202 205.3144       194.9451 51.85135 7.291101 32.93773 11.46929 18.91363 
13.59062 
1 1 1 9   5   16 o 320.9323 9.828704  21525.37       1061.313 21230.35       
1184.420 22727.34       2390.719 316.9714 8.900347 324.8933 17.52705 -7.921906 
19.65741 
1 1 1 9   5   17 o 231.1151 8.506987  11370.77       825.2874 11087.21       
1163.267 11658.13       1171.037 228.1840 12.14270 234.0462 11.91764 -5.862167 
17.01397 
1 1 1 9   5   18 o 109.2735 4.113983  2475.974       176.1555 2628.600       
315.4806 2406.831       212.3402 111.6083 6.732820 106.9386 4.729540 4.669762 
8.227965 
1 1 1 9   5   19 o 347.0925 8.890615  25874.41       1200.669 25802.14       
2141.209 25907.56       1450.101 345.2925 14.77042 348.8925 9.899832 -3.599976 
17.78123 
1 1 1 9   5   20 o 79.90698 4.037206  1360.223       123.9757 1317.193       
224.7953 1379.032       148.6214 78.89721 6.786513 80.91676 4.374856 -2.019554 
8.074411 
1 1 1 9   5   21 o 239.1059 7.971113  12048.70       729.1740 13010.39       
1364.850 11664.57       862.5956 244.3973 13.30178 233.8145 8.787329 10.58276 
15.94223 
1 1 1 9   5   22 o 145.2678 5.077409  4591.482       300.3227 3978.885       
466.7603 5024.251       392.3152 136.5404 8.142427 153.9952 6.068048 -17.45482 
10.15482 
1 1 1 9   5   23 o 118.0801 3.336112  2885.153       153.0948 3102.135       
279.1429 2791.809       183.0871 121.0634 5.492054 115.0968 3.788923 5.966614 
6.672225 
1 1 1 9   5   24 o 85.62720 3.529410  1572.400       123.2217 1445.057       
194.8430 1657.277       159.0717 82.61906 5.617273 88.63534 4.274715 -6.016281 
7.058821 
1 1 1 9   5   25 o 93.93307 3.692875  1868.587       139.4034 1858.509       
233.3772 1874.177       173.8208 93.63180 5.936850 94.23435 4.393531 
-0.6025543     7.385750 
1 1 1 9   5   26 o 45.79959 5.496388  471.5571       95.54623 414.8268       
164.4841 500.4480       117.3807 43.03644 9.364577 48.56274 5.757241 -5.526302 
10.99278 
1 1 1 9   5   27 o 133.5674 3.160615  3783.128       174.9471 3735.184       
268.9752 3818.283       230.3226 132.7397 4.826501 134.3951 4.082013 -1.655396 
6.321229 
1 1 1 9   5   28 o 113.2822 3.339911  2794.658       153.0475 2432.288       
242.3458 3035.057       197.3900 106.8132 5.404203 119.7513 3.926143 -12.93806 
6.679821 
1 1 1 9   5   29 o 26.78341 6.528529  149.8932       86.44232 110.0541       
157.3344 167.1187       103.4559 26.13301 10.09023 27.43381 8.286983 -1.300797 
13.05706 
1 1 1 9   5   30 o 59.09435 4.726120  686.9066       103.0326 920.0217       
213.5720 616.1959       117.6255 64.59941 7.874752 53.58929 5.228109 11.01012 
9.452240 
1 1 1 9   5   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   5   32 o 57.56577 4.955339  696.3364       111.0160 861.1477       
206.7127 629.5320       131.6062 61.54538 8.000051 53.58616 5.849849 7.959213 
9.910678 
1 1 1 9   5   33 o 47.35806 7.281653  571.2886       120.9556 531.3251       
258.7794 582.4601       136.8211 43.67745 13.08889 51.03867 6.385205 -7.361217 
14.56331 
1 1 1 9   5   34 o 27.57391 7.571053  149.8364       107.0254 237.3458       
233.2868 126.5082       120.4490 31.02695 12.21667 24.12086 8.946299 6.906094 
15.14211 
1 1 1 9   5   35 o 23.81734 7.092271  96.31390       108.9944 25.36566       
240.8374 114.5879       122.2278 24.44442 11.03944 23.19027 8.906847 1.254150 
14.18454 
1 1 1 9   5   36 o 19.76347 6.365242  -9.484181      110.4504 -92.05272      
210.8572 21.73811       129.6623 20.30249 9.545958 19.22444 8.422583 1.078047 
12.73048 
1 1 1 9   5   37 o 21.13556 6.582500  61.90749       107.3789 33.37900       
203.2126 72.95868       126.4782 21.83438 9.953900 20.43674 8.616094 1.397640 
13.16500 
1 1 1 9   5   38 o 23.98669 6.631085  153.6767       113.0945 -40.00236      
185.6259 268.0105       142.6213 18.89783 8.906207 29.07554 9.826731 -10.17771 
13.26217 
1 1 1 9   6   0  o 157.7928 2.756064  5258.929       178.5986 5371.820       
231.1522 5091.708       281.3294 159.9191 3.442855 155.6664 4.304684 4.252701 
5.512128 
1 1 1 9   6   1  o 82.57809 2.184262  1422.002       74.95412 1365.096       
98.34592 1500.868       115.7766 80.62336 2.905471 84.53282 3.262244 -3.909462 
4.368524 
1 1 1 9   6   2  o 66.95135 2.447781  940.2886       68.73437 1001.738       
99.04996 883.2138       95.45958 69.05891 3.416297 64.84381 3.506485 4.215096 
4.895562 
1 1 1 9   6   3  o 177.8871 3.106897  6588.989       222.6929 6861.574       
374.9488 6440.429       276.8030 180.6799 4.942916 175.0942 3.765478 5.585693 
6.213795 
1 1 1 9   6   4  o 122.0104 2.639863  3118.945       129.4427 3155.777       
217.7603 3098.819       160.9685 122.5533 4.232282 121.4676 3.156470 1.085754 
5.279727 
1 1 1 9   6   5  o 177.8429 2.320453  6544.290       170.2761 7160.329       
271.5680 6145.198       218.5801 184.6300 3.503462 171.0558 3.043643 13.57411 
4.640906 
1 1 1 9   6   6  o 150.2896 2.385886  4727.225       150.1275 4964.881       
222.5087 4528.633       203.4005 153.7425 3.447259 146.8367 3.299426 6.905838 
4.771772 
1 1 1 9   6   7  o 236.3016 4.740229  11700.03       465.9382 11401.14       
614.9177 12102.99       713.9998 232.8062 6.291346 239.7970 7.092110 -6.990799 
9.480457 
1 1 1 9   6   8  o 113.0165 2.779539  2655.650       131.1932 2359.359       
175.7676 3028.361       197.1359 105.9721 3.950650 120.0610 3.910973 -14.08890 
5.559078 
1 1 1 9   6   9  o 319.5503 5.981491  21481.43       769.8006 21388.13       
960.4935 21649.00       1287.198 318.7547 7.177265 320.3459 9.570779 -1.591278 
11.96298 
1 1 1 9   6   10 o 154.2292 3.402736  4881.809       205.3475 4687.413       
246.5541 5322.017       371.0193 149.3678 3.931662 159.0905 5.554861 -9.722717 
6.805472 
1 1 1 9   6   11 o 203.2841 3.736656  8728.553       291.7245 8588.797       
532.0961 8788.614       348.8230 202.0497 6.272677 204.5186 4.062500 -2.468903 
7.473312 
1 1 1 9   6   12 o 155.2270 5.016287  5017.601       311.4542 5253.705       
533.5758 4895.580       383.5825 157.9008 8.048831 152.5531 5.989063 5.347733 
10.03257 
1 1 1 9   6   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   6   14 o 193.6888 6.891273  7812.879       527.1940 7604.418       
640.4554 8250.977       928.4581 189.9299 8.031868 197.4477 11.20034 -7.517792 
13.78255 
1 1 1 9   6   15 o 147.3943 4.466822  4391.103       236.2212 4232.708       
268.8163 4928.017       494.9221 141.8953 4.512410 152.8934 7.710264 -10.99806 
8.933644 
1 1 1 9   6   16 o 301.0872 9.675076  19120.00       1112.212 18842.97       
1318.350 19803.95       2071.506 298.2643 10.52811 303.9100 16.23537 -5.645721 
19.35015 
1 1 1 9   6   17 o 79.88925 4.053043  1311.813       129.8256 1450.457       
223.7950 1241.490       159.3855 82.96313 6.425196 76.81537 4.942216 6.147758 
8.106087 
1 1 1 9   6   18 o 185.3498 4.525069  7217.153       340.9886 7353.897       
559.0137 7136.124       430.3157 186.6405 7.134075 184.0591 5.568662 2.581345 
9.050138 
1 1 1 9   6   19 o 151.1682 4.951889  4822.366       299.1089 4849.847       
508.4835 4807.825       369.8692 151.3448 8.002588 150.9916 5.834673 0.3532104 
9.903778 
1 1 1 9   6   20 o 180.5571 5.402933  6833.941       381.5160 7118.922       
682.3719 6704.346       460.1577 182.9607 8.883504 178.1535 6.152243 4.807251 
10.80587 
1 1 1 9   6   21 o 84.06422 4.210981  1499.824       135.4095 1479.981       
248.6577 1508.189       161.4476 83.54258 7.089493 84.58586 4.546266 -1.043282 
8.421962 
1 1 1 9   6   22 o 45.84840 5.320382  429.3758       90.64140 515.9338       
173.9162 397.0962       106.2062 48.38225 8.894745 43.31455 5.840324 5.067696 
10.64076 
1 1 1 9   6   23 o 63.29583 3.584678  883.1562       89.02424 735.2161       
148.5355 966.0897       111.2122 58.89273 6.007444 67.69893 3.912837 -8.806194 
7.169357 
1 1 1 9   6   24 o 118.7306 2.897177  2984.357       142.8967 2458.793       
199.7915 3534.783       204.4623 107.9438 4.408597 129.5173 3.760162 -21.57352 
5.794355 
1 1 1 9   6   25 o 168.7954 3.937969  6098.421       261.9269 5834.234       
451.9774 6232.007       321.3974 165.7561 6.494837 171.8346 4.455052 -6.078491 
7.875938 
1 1 1 9   6   26 f 59.84457 4.269897  751.1098       99.67258 785.1342       
179.2536 735.8818       119.9207 60.69466 7.034585 58.99449 4.841766 1.700169 
8.539795 
1 1 1 9   6   27 o 90.68147 3.825626  1791.114       137.7842 1597.106       
229.1769 1900.936       172.4266 86.55102 6.306956 94.81193 4.331739 -8.260910 
7.651252 
1 1 1 9   6   28 o 88.69279 3.549941  1665.193       125.2324 1694.123       
215.4248 1650.426       153.9107 89.09726 5.759072 88.28833 4.152279 0.8089294 
7.099883 
1 1 1 9   6   29 o 52.69868 4.377455  539.6528       88.16039 740.3193       
172.9027 469.1549       102.4831 58.50826 7.038916 46.88910 5.205969 11.61916 
8.754910 
1 1 1 9   6   30 f 27.27763 6.385466  132.2161       76.26913 240.3791       
154.6003 97.42450       87.68163 32.48830 10.19523 22.06697 7.691161 10.42133 
12.77093 
1 1 1 9   6   31 o 107.0979 3.611642  2480.627       127.2880 2446.222       
289.5256 2488.870       141.7189 105.8126 6.517345 108.3833 3.114488 -2.570679 
7.223283 
1 1 1 9   6   32 o 60.65796 5.803010  803.9501       147.7815 0.000000       
0.000000 803.9501       147.7815 ?        ?        60.65796 5.803010 ? ? 
1 1 1 9   6   33 o 90.86942 5.595830  1938.391       161.0615 1812.730       
372.0795 1967.366       178.6679 86.34489 10.26408 95.39394 4.461151 -9.049042 
11.19166 
1 1 1 9   6   34 o 48.46000 6.750651  556.8463       113.7108 631.6049       
240.4945 535.3211       129.0469 48.15326 11.93976 48.76673 6.302967 
-0.6134720     13.50130 
1 1 1 9   6   35 f 36.29286 7.588140  358.5474       113.9294 341.0579       
244.9856 363.3735       128.6920 34.25677 12.74824 38.32895 8.234186 -4.072170 
15.17628 
1 1 1 9   6   36 o 45.73875 7.243186  449.7804       117.4935 869.7317       
258.9696 340.9323       131.8438 55.19299 11.54916 36.28450 8.744820 18.90848 
14.48637 
1 1 1 9   6   37 o 22.94885 6.700174  111.9784       106.0533 20.61224       
192.8032 151.6156       126.9909 21.53419 9.784406 24.36350 9.156131 -2.829306 
13.40035 
1 1 1 9   6   38 o 26.68075 6.766297  224.7337       107.5715 85.75847       
183.6908 297.2696       132.7074 21.88962 9.772163 31.47187 9.361405 -9.582253 
13.53259 
1 1 1 9   7   0  o 168.7125 2.843372  5952.524       199.9834 6204.850       
303.8779 5759.752       265.6080 171.8447 4.211958 165.5803 3.820793 6.264374 
5.686744 
1 1 1 9   7   1  o 215.5276 2.834388  9763.882       255.1744 9714.550       
379.9940 9804.397       344.3722 215.0222 4.209345 216.0331 3.796897 -1.010925 
5.668776 
1 1 1 9   7   2  o 127.3870 2.488372  3397.001       132.0347 3498.777       
200.9703 3319.711       175.1350 129.0554 3.709169 125.7186 3.318138 3.336777 
4.976744 
1 1 1 9   7   3  o 238.7699 3.343976  12001.52       311.9550 12036.07       
377.7692 11927.45       553.1223 239.3627 3.759163 238.1771 5.531492 1.185654 
6.687953 
1 1 1 9   7   4  o 165.8637 3.108142  5815.770       206.1144 5897.618       
256.0916 5665.242       347.2961 167.5570 3.640440 164.1704 5.038789 3.386566 
6.216285 
1 1 1 9   7   5  o 245.1767 4.061902  12629.87       348.7675 12621.28       
395.9538 12659.60       736.6750 245.1082 3.847759 245.2452 7.154784 
-0.1370239     8.123804 
1 1 1 9   7   6  o 198.8894 3.593299  8354.230       298.6128 8931.338       
412.7923 7720.699       432.5013 206.1449 4.769578 191.6338 5.375715 14.51109 
7.186598 
1 1 1 9   7   7  o 236.1737 3.051502  11531.87       284.2245 11188.02       
344.4657 12265.32       503.0863 230.7842 3.555175 241.5632 4.960584 -10.77896 
6.103004 
1 1 1 9   7   8  o 158.1572 3.370239  5260.683       223.2940 5202.318       
325.7854 5312.394       306.6531 157.3225 4.932442 158.9919 4.594026 -1.669403 
6.740479 
1 1 1 9   7   9  o 235.6094 3.462761  11748.39       335.8011 11241.91       
523.6700 12102.10       437.6196 231.2343 5.394192 239.9845 4.343448 -8.750153 
6.925522 
1 1 1 9   7   10 o 231.1467 4.017270  11288.46       342.0060 11125.36       
668.0487 11346.39       398.1367 229.9103 6.921030 232.3831 4.080832 -2.472778 
8.034540 
1 1 1 9   7   11 o 211.7490 3.495033  9530.437       305.9671 10151.82       
407.2842 8725.465       463.5639 219.7898 4.413784 203.7081 5.420289 16.08174 
6.990065 
1 1 1 9   7   12 o 361.9385 9.673862  27770.00       1467.614 28324.55       
2145.774 27282.56       2011.744 365.2391 13.99355 358.6380 13.36095 6.601105 
19.34772 
1 1 1 9   7   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   7   14 o 121.3553 4.588550  3020.840       214.9051 2906.147       
255.2352 3300.203       398.3443 117.5593 5.171360 125.1514 7.581307 -7.592079 
9.177100 
1 1 1 9   7   15 o 80.88031 4.108667  1379.147       139.2069 1325.194       
201.1426 1428.746       192.8554 79.35147 6.037682 82.40916 5.574134 -3.057686 
8.217334 
1 1 1 9   7   16 f 148.8673 5.019347  4728.043       287.9679 4524.693       
518.0825 4818.956       346.4096 146.4003 8.429036 151.3343 5.452224 -4.933960 
10.03869 
1 1 1 9   7   17 o 205.4415 5.762672  9048.285       461.0515 8546.479       
810.8992 9287.995       560.4562 200.9252 9.612881 209.9578 6.358150 -9.032608 
11.52534 
1 1 1 9   7   18 o 106.2790 3.535066  2369.525       140.4986 2395.057       
269.6284 2360.008       164.6134 106.6058 6.024291 105.9522 3.700634 0.6535568 
7.070132 
1 1 1 9   7   19 o 290.4771 8.662264  18367.44       939.5291 17363.02       
1771.008 18760.83       1108.351 283.5289 14.87799 297.4253 8.876069 -13.89636 
17.32453 
1 1 1 9   7   20 o 27.57574 6.893637  121.7798       92.32623 205.9983       
173.5430 88.53351       109.0373 32.09497 10.83978 23.05651 8.519862 9.038456 
13.78727 
1 1 1 9   7   21 o 137.9419 3.530398  4073.450       198.4349 3745.958       
314.4238 4290.232       255.8153 133.1760 5.623549 142.7078 4.269724 -9.531784 
7.060796 
1 1 1 9   7   22 o 70.39742 3.307206  1079.543       93.30727 917.4161       
149.9406 1182.006       119.1994 65.88216 5.420913 74.91267 3.790007 -9.030510 
6.614412 
1 1 1 9   7   23 o 154.0421 3.515146  5018.377       221.4733 4994.769       
355.3264 5033.376       283.2189 153.6302 5.508990 154.4541 4.367611 
-0.8238831     7.030292 
1 1 1 9   7   24 f 176.3194 4.096333  6479.891       262.8377 6800.043       
530.3596 6375.661       302.6131 178.7697 7.066391 173.8692 4.145588 4.900497 
8.192666 
1 1 1 9   7   25 o 47.32848 5.381020  536.1063       92.40244 363.5820       
159.2920 623.6019       113.4388 40.33495 9.543621 54.32202 4.974010 -13.98707 
10.76204 
1 1 1 9   7   26 o 95.48393 3.543010  2009.389       131.5860 1696.676       
224.2804 2173.533       162.4915 89.43088 5.973445 101.5370 3.811775 -12.10611 
7.086020 
1 1 1 9   7   27 f 109.8765 3.284053  2592.333       144.5276 2423.040       
239.6294 2689.126       181.1932 106.8750 5.340540 112.8781 3.823432 -6.003105 
6.568105 
1 1 1 9   7   28 o 137.6269 3.857171  4045.583       206.8726 3994.822       
367.3311 4069.160       250.3493 136.6311 6.403673 138.6227 4.301631 -1.991531 
7.714341 
1 1 1 9   7   29 o 56.37882 4.348890  711.4052       89.82839 618.7122       
170.2277 747.1783       105.7509 53.40582 7.592113 59.35182 4.243960 -5.945999 
8.697780 
1 1 1 9   7   30 o 121.7787 3.540895  3259.445       166.2845 2926.938       
292.8664 3417.634       202.0031 116.6077 5.982237 126.9498 3.790067 -10.34219 
7.081791 
1 1 1 9   7   31 o 45.64163 5.424853  512.6747       83.11771 384.2221       
166.0755 555.6022       96.00690 40.29661 9.879294 50.98666 4.485047 -10.69004 
10.84971 
1 1 1 9   7   32 o 19.96579 6.359773  -27.13309      102.3378 -138.8299      
209.0327 8.078986       117.3653 20.92597 9.752051 19.00560 8.166047 1.920376 
12.71955 
1 1 1 9   7   33 o 45.04686 7.029747  543.6179       103.6055 402.7256       
250.6002 572.6646       113.7852 38.87093 13.02590 51.22279 5.291072 -12.35187 
14.05949 
1 1 1 9   7   34 o 53.36064 6.901720  767.4314       120.9475 580.2008       
252.5036 823.1789       137.7819 45.60317 12.71622 61.11811 5.369617 -15.51494 
13.80344 
1 1 1 9   7   35 o 46.19608 7.353398  560.1214       118.4546 548.3542       
262.3993 563.1332       132.7509 42.63443 13.26300 49.75773 6.354742 -7.123299 
14.70680 
1 1 1 9   7   36 o 31.15353 7.577633  269.5076       113.4624 213.7772       
250.8848 283.8369       127.2154 29.28269 12.22891 33.02437 8.951863 -3.741674 
15.15527 
1 1 1 9   7   37 o 37.73345 6.463833  438.8992       112.9031 191.5183       
197.2663 559.4099       137.6837 27.02559 11.01326 48.44131 6.769986 -21.41572 
12.92767 
1 1 1 9   7   38 o 21.43907 6.462925  91.96023       104.3838 11.81004       
180.2607 132.3954       128.0348 20.15683 9.260858 22.72130 9.017434 -2.564470 
12.92585 
1 1 1 9   8   0  o 447.8970 3.882917  42175.09       728.8911 42089.75       
1001.290 42271.30       1063.100 447.4361 5.330279 448.3579 5.647681 
-0.9218445     7.765834 
1 1 1 9   8   1  o 297.9481 4.589746  18726.75       541.2250 18827.36       
663.7670 18527.16       934.8870 299.2584 5.283119 296.6378 7.506780 2.620544 
9.179493 
1 1 1 9   8   2  o 279.0450 2.860871  16360.25       334.3242 16367.42       
457.0164 16352.00       490.3535 279.1193 3.899985 278.9707 4.186700 0.1486511 
5.721743 
1 1 1 9   8   3  o 222.6722 3.355410  10495.56       303.2770 10724.47       
385.0165 10121.32       492.2843 225.9299 4.059072 219.4145 5.344066 6.515411 
6.710821 
1 1 1 9   8   4  o 222.9206 4.008271  10464.66       373.7914 10644.88       
510.0492 10255.58       549.3811 225.0145 5.399116 220.8267 5.925747 4.187805 
8.016541 
1 1 1 9   8   5  o 366.6483 5.407450  28226.77       785.4845 28549.66       
1361.410 28065.65       961.6964 368.0297 8.811041 365.2668 6.271174 2.762909 
10.81490 
1 1 1 9   8   6  o 581.2500 4.961598  71086.19       1208.893 70742.07       
1662.019 71472.78       1761.588 579.7971 6.827805 582.7028 7.200757 -2.905701 
9.923196 
1 1 1 9   8   7  o 268.0150 3.924410  15064.96       436.0560 14864.00       
571.3425 15345.33       674.8557 265.9128 5.117743 270.1173 5.950857 -4.204529 
7.848821 
1 1 1 9   8   8  o 113.5510 2.647681  2721.518       125.5770 2986.192       
175.6344 2444.702       179.6182 119.2312 3.508654 107.8708 3.966133 11.36040 
5.295363 
1 1 1 9   8   9  o 349.8227 4.094893  25667.03       559.7220 25548.29       
676.6093 25924.44       996.2291 348.6606 4.622279 350.9848 6.760705 -2.324127 
8.189786 
1 1 1 9   8   10 o 149.7247 3.113141  4698.288       183.4032 4747.028       
322.1903 4674.924       223.0715 150.2698 5.106954 149.1796 3.561685 1.090118 
6.226282 
1 1 1 9   8   11 o 346.6669 6.928470  25370.66       1008.180 24898.16       
1430.270 25837.27       1421.336 343.4347 9.919618 349.8990 9.675535 -6.464355 
13.85694 
1 1 1 9   8   12 o 192.1132 5.895487  7816.218       462.3274 7617.755       
741.7291 7942.314       591.2306 190.0139 9.297816 194.2125 7.251048 -4.198578 
11.79097 
1 1 1 9   8   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   8   14 o 250.8540 6.019852  12723.04       503.4886 12386.67       
558.2252 14190.34       1165.888 242.6769 5.479008 259.0311 10.72077 -16.35420 
12.03970 
1 1 1 9   8   15 o 99.29194 3.388288  2016.091       132.6620 2236.755       
236.9890 1915.389       160.0959 103.1156 5.474251 95.46823 3.994316 7.647415 
6.776577 
1 1 1 9   8   16 o 154.7030 5.064669  5096.622       306.1939 4899.465       
537.7967 5191.186       372.4551 152.3479 8.408194 157.0581 5.648520 -4.710205 
10.12934 
1 1 1 9   8   17 o 190.2292 6.263638  7566.520       462.5214 7871.122       
838.6447 7433.371       554.4703 192.7018 10.36605 187.7566 7.034029 4.945175 
12.52728 
1 1 1 9   8   18 o 104.7454 3.926975  2421.374       160.3274 1986.999       
269.8591 2658.339       199.3181 97.06454 6.622126 112.4263 4.222794 -15.36176 
7.853951 
1 1 1 9   8   19 o 128.9407 3.901370  3501.015       203.1348 3513.075       
337.2504 3494.148       254.4752 129.0466 6.224821 128.8347 4.704718 0.2119293 
7.802741 
1 1 1 9   8   20 o 145.0818 4.780361  4441.396       280.1983 4480.832       
465.1562 4418.938       351.0318 145.4486 7.617460 144.7149 5.777689 0.7337189 
9.560721 
1 1 1 9   8   21 o 92.56036 3.658565  1840.778       134.7257 1699.381       
225.8640 1918.873       167.8573 89.67002 5.999578 95.45071 4.188728 -5.780685 
7.317129 
1 1 1 9   8   22 o 184.0810 5.115497  7006.845       349.7466 7612.778       
689.3325 6796.789       405.8664 188.8150 8.695877 179.3470 5.390264 9.467957 
10.23099 
1 1 1 9   8   23 o 103.6333 3.163332  2265.745       131.8697 2268.508       
220.7192 2264.212       164.4460 103.6046 5.074371 103.6620 3.778547 
-0.5740356E-01 6.326663 
1 1 1 9   8   24 o 126.9579 3.204513  3470.921       166.6307 3027.705       
255.5395 3798.784       219.7844 119.6726 5.086094 134.2433 3.899648 -14.57070 
6.409026 
1 1 1 9   8   25 o 45.43844 5.367128  466.8279       91.19659 397.9921       
159.6334 500.1784       111.1137 42.25770 9.251602 48.61918 5.443537 -6.361477 
10.73426 
1 1 1 9   8   26 o 52.76638 4.579607  575.2800       95.84411 640.9876       
169.2332 544.2529       116.2918 54.83232 7.351399 50.70044 5.463342 4.131886 
9.159213 
1 1 1 9   8   27 o 68.31168 3.942058  1004.738       107.2249 942.7746       
180.1570 1038.728       133.4312 66.53201 6.449731 70.09135 4.534341 -3.559341 
7.884115 
1 1 1 9   8   28 o 32.79867 6.446550  216.6892       83.01615 303.7520       
165.1895 187.2711       96.02266 36.62523 10.30890 28.97211 7.743300 7.653116 
12.89310 
1 1 1 9   8   29 o 111.4844 3.557748  2710.997       155.0335 2458.073       
267.3503 2839.138       190.2963 107.1641 5.942270 115.8047 3.914038 -8.640610 
7.115495 
1 1 1 9   8   30 o 75.11769 3.608710  1228.542       101.9867 1151.482       
189.5600 1259.936       120.9902 73.12611 6.174408 77.10928 3.737357 -3.983170 
7.217421 
1 1 1 9   8   31 o 121.7761 3.791465  3160.913       169.9634 3248.256       
334.4586 3130.505       197.3441 122.2052 6.518890 121.3469 3.873616 0.8583221 
7.582930 
1 1 1 9   8   32 o 98.30391 4.728234  2130.124       160.0542 2117.374       
341.7874 2133.706       181.1435 96.79352 8.410673 99.81431 4.322659 -3.020790 
9.456469 
1 1 1 9   8   33 o 87.80099 4.339035  1722.569       142.7468 1645.646       
266.9062 1753.387       168.9379 85.41018 7.443379 90.19181 4.461501 -4.781631 
8.678069 
1 1 1 9   8   34 o 79.84802 5.060912  1461.896       141.8694 1423.973       
291.2610 1473.692       162.4421 77.39475 8.963794 82.30129 4.701246 -4.906540 
10.12182 
1 1 1 9   8   35 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   8   36 o 41.17089 7.039435  490.3622       109.1411 356.6661       
242.2689 524.4041       122.2489 34.39481 12.70169 47.94696 6.073020 -13.55215 
14.07887 
1 1 1 9   8   37 o 29.36243 6.380152  241.3137       107.8225 -13.41304      
184.5894 373.2376       132.8408 20.78071 9.477121 37.94415 8.544562 -17.16344 
12.76030 
1 1 1 9   8   38 f 25.41681 6.747517  183.6796       105.5549 62.62801       
182.0200 245.0152       129.5658 21.76764 9.722396 29.06598 9.359004 -7.298338 
13.49503 
1 1 1 9   9   0  o 102.8346 2.296051  2213.558       98.39064 2161.649       
130.6901 2281.472       149.4874 101.4509 3.068372 104.2183 3.416503 -2.767410 
4.592102 
1 1 1 9   9   1  o 294.3314 4.184103  18151.15       513.5349 18791.32       
778.3141 17657.60       683.4033 298.8823 6.202628 289.7804 5.617320 9.101959 
8.368206 
1 1 1 9   9   2  o 162.3482 2.675444  5560.732       173.3767 5614.497       
214.7685 5460.138       293.7699 163.4995 3.128783 161.1969 4.340819 2.302582 
5.350887 
1 1 1 9   9   3  o 71.39896 2.438316  1069.936       73.05708 1099.695       
105.2810 1042.297       101.4615 72.35552 3.465766 70.44239 3.430744 1.913132 
4.876632 
1 1 1 9   9   4  o 163.1358 2.530690  5605.623       172.1444 5730.423       
231.8060 5452.167       257.0434 165.1729 3.342772 161.0987 3.800453 4.074203 
5.061380 
1 1 1 9   9   5  o 374.4089 5.127078  29183.27       666.2537 30092.42       
1434.738 28933.31       752.2853 377.7928 9.045653 371.0251 4.829480 6.767700 
10.25416 
1 1 1 9   9   6  o 382.2569 6.486585  30641.91       1015.634 31578.37       
1636.943 30055.80       1295.039 386.8006 10.08016 377.7133 8.166607 9.087280 
12.97317 
1 1 1 9   9   7  o 133.0609 2.763943  3633.522       137.5664 3534.742       
160.3100 3909.453       267.9324 129.7337 2.943261 136.3881 4.679181 -6.654465 
5.527885 
1 1 1 9   9   8  o 222.3773 3.257303  10361.67       285.4404 10303.10       
347.6130 10482.92       500.1402 221.4593 3.738722 223.2954 5.334983 -1.836090 
6.514606 
1 1 1 9   9   9  o 375.7972 6.653953  29752.64       1032.313 29996.02       
1616.838 29585.15       1341.291 376.9296 10.21709 374.6649 8.527096 2.264709 
13.30791 
1 1 1 9   9   10 o 81.61708 2.826200  1411.462       96.00340 1235.969       
138.5918 1573.354       133.1125 76.69257 4.304329 86.54160 3.663658 -9.849037 
5.652401 
1 1 1 9   9   11 o 207.2141 3.539979  9000.552       305.5299 9226.663       
464.6579 8828.332       405.5229 209.4832 5.283299 204.9450 4.713018 4.538193 
7.079957 
1 1 1 9   9   12 o 317.7639 8.476989  21116.44       1092.961 20397.43       
1368.465 22383.01       1816.274 310.7016 10.49086 324.8262 13.31838 -14.12460 
16.95398 
1 1 1 9   9   13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   9   14 f 335.5620 8.010577  23637.71       1080.985 24526.92       
1825.590 23157.60       1341.433 339.9956 12.78942 331.1284 9.649251 8.867126 
16.02115 
1 1 1 9   9   15 o 262.3137 7.701449  14521.73       747.4369 14660.74       
1456.927 14472.08       870.7581 262.6444 13.21267 261.9829 7.916725 0.6614380 
15.40290 
1 1 1 9   9   16 o 235.2345 6.268082  11681.50       584.0130 11710.43       
1010.144 11666.98       715.7619 235.2099 10.22937 235.2590 7.246751 
-0.4914856E-01 12.53616 
1 1 1 9   9   17 o 118.4665 4.576924  2826.660       201.2640 3238.771       
402.2004 2688.991       232.4628 123.8761 7.733502 113.0569 4.897536 10.81921 
9.153848 
1 1 1 9   9   18 o 263.7946 6.692778  14824.37       718.6826 14421.16       
1160.215 15075.41       915.4670 260.5503 10.60640 267.0390 8.165617 -6.488770 
13.38556 
1 1 1 9   9   19 o 220.9747 5.142749  10362.93       473.1575 9943.159       
708.1369 10701.50       635.9589 216.8086 7.779680 225.1408 6.728154 -8.332153 
10.28550 
1 1 1 9   9   20 o 200.0622 4.200564  8240.710       319.1143 8932.698       
607.0280 7976.438       375.1328 205.5075 7.035616 194.6169 4.591194 10.89061 
8.401129 
1 1 1 9   9   21 o 99.12535 3.243232  2056.276       124.5280 2108.065       
225.9583 2033.685       149.2369 99.94241 5.385171 98.30830 3.615821 1.634102 
6.486465 
1 1 1 9   9   22 o 169.0552 4.625627  6175.114       309.1091 5691.133       
524.4743 6432.703       382.6253 163.5891 7.636441 174.5214 5.222111 -10.93233 
9.251253 
1 1 1 9   9   23 o 60.12669 4.389643  828.3272       100.5171 596.5635       
168.3617 956.6940       125.2989 52.91599 7.578399 67.33740 4.432124 -14.42141 
8.779285 
1 1 1 9   9   24 o 107.6360 2.874961  2477.286       127.2386 2250.477       
195.7080 2643.349       167.4612 103.2518 4.514731 112.0202 3.560730 -8.768341 
5.749921 
1 1 1 9   9   25 f 135.0559 3.982496  3878.927       221.4896 3769.438       
346.2270 3954.777       288.1708 133.3173 6.185793 136.7944 5.017675 -3.477112 
7.964992 
1 1 1 9   9   26 o 33.68268 6.444353  230.7074       88.56181 324.4155       
158.9045 188.4858       106.6633 38.07834 9.863141 29.28702 8.296817 8.791315 
12.88871 
1 1 1 9   9   27 o 91.22043 3.543998  1693.341       119.4003 1906.511       
239.4316 1622.782       137.7509 94.72376 6.020653 87.71709 3.740513 7.006676 
7.087996 
1 1 1 9   9   28 o 115.1607 2.919626  2765.559       119.3062 2877.665       
249.3602 2732.278       135.8662 116.4320 5.101244 113.8894 2.841511 2.542587 
5.839253 
1 1 1 9   9   29 o 140.4216 3.779442  4092.432       200.5931 4459.660       
384.5016 3955.111       235.1257 144.1969 6.351310 136.6463 4.098486 7.550598 
7.558884 
1 1 1 9   9   30 o 81.86421 3.596816  1385.509       105.6967 1518.947       
219.6085 1345.280       120.5815 84.01074 6.226376 79.71769 3.602857 4.293053 
7.193632 
1 1 1 9   9   31 o 93.71677 3.470865  1908.834       116.7996 1821.805       
234.1793 1937.653       134.7574 91.79400 6.076524 95.63953 3.356111 -3.845528 
6.941730 
1 1 1 9   9   32 o 29.70993 6.785232  209.1814       101.0235 89.25626       
178.1404 266.0334       122.6536 25.72396 10.47147 33.69590 8.631678 -7.971943 
13.57046 
1 1 1 9   9   33 o 26.93252 6.397387  156.7617       107.2117 -219.0969      
218.6133 275.7853       123.0214 19.84137 9.471087 34.02368 8.602600 -14.18231 
12.79477 
1 1 1 9   9   34 o 58.83759 5.730854  755.4050       121.3390 899.7455       
252.7830 712.1899       138.3157 60.92382 9.882842 56.75135 5.805187 4.172470 
11.46171 
1 1 1 9   9   35 o 47.58246 7.032506  535.5000       117.2303 648.2521       
251.0311 504.0523       132.5745 48.14209 12.35831 47.02283 6.715407 1.119259 
14.06501 
1 1 1 9   9   36 f 32.10601 9.166084  266.8324       129.6974 0.000000       
0.000000 266.8324       129.6974 ?        ?        32.10601 9.166084 ? ? 
1 1 1 9   9   37 o 39.00082 7.215569  343.6683       111.4605 670.7956       
219.4737 229.9736       129.3881 48.67504 10.99800 29.32659 9.343534 19.34845 
14.43114 
1 1 1 9   9   38 o 35.88987 5.463113  392.9935       114.8085 -110.8421      
190.8259 678.8327       143.7321 18.50450 8.836699 53.27523 6.426131 -34.77074 
10.92623 
1 1 1 9   9   39 o 17.70689 5.803688  -32.44730      106.5864 -200.4908      
188.3472 46.72179       129.2784 16.39721 8.041781 19.01656 8.370239 -2.619352 
11.60738 
1 1 1 9   10  0  o 176.3484 2.518413  6426.190       178.3297 6892.405       
304.5797 6183.006       219.9764 181.1191 4.005511 171.5777 3.053769 9.541321 
5.036827 
1 1 1 9   10  1  o 576.1260 6.251358  70026.49       1458.493 69797.23       
2401.114 70160.55       1836.019 575.0472 9.945584 577.2049 7.576494 -2.157715 
12.50272 
1 1 1 9   10  2  o 31.29020 3.809490  209.2146       48.63055 242.3753       
70.17696 178.5793       67.45193 33.95709 4.922493 28.62331 5.815319 5.333780 
7.618981 
1 1 1 9   10  3  o 29.79962 4.139322  200.9189       51.85040 71.30543       
73.02469 332.7049       73.63418 19.80917 7.007632 39.79007 4.407840 -19.98090 
8.278645 
1 1 1 9   10  4  o 278.8905 2.966274  16341.61       347.2962 16579.66       
493.5365 16108.11       488.7997 280.9029 4.184891 276.8781 4.204974 4.024719 
5.932548 
1 1 1 9   10  5  o 108.5619 2.401427  2466.681       108.2532 2417.495       
142.2537 2534.354       166.8600 107.2853 3.158233 109.8385 3.618419 -2.553116 
4.802853 
1 1 1 9   10  6  o 518.9320 9.144495  57034.27       1991.264 56723.00       
2768.983 57367.65       2865.649 517.5338 12.74391 520.3302 13.11792 -2.796387 
18.28899 
1 1 1 9   10  7  o 177.9368 3.731811  6639.980       277.6983 6479.592       
374.5736 6835.721       413.7993 175.5667 5.081783 180.3068 5.466364 -4.740158 
7.463622 
1 1 1 9   10  8  o 588.7410 6.838085  72744.59       1422.233 72412.12       
1619.291 73866.63       2974.766 586.6281 6.574810 590.8539 11.99206 -4.225830 
13.67617 
1 1 1 9   10  9  f 194.0874 2.784132  7907.193       225.1299 7856.509       
299.9240 7972.608       340.7287 193.3857 3.694094 194.7890 4.166441 -1.403381 
5.568264 
1 1 1 9   10  10 o 346.2699 4.233238  25165.42       606.7858 25551.76       
943.5073 24892.93       792.3890 348.4745 6.449044 344.0653 5.485530 4.409180 
8.466475 
1 1 1 9   10  11 o 209.1519 3.112901  9038.004       236.2345 9502.256       
479.6546 8889.328       271.4382 212.5799 5.374368 205.7238 3.142733 6.856110 
6.225801 
1 1 1 9   10  12 o 90.07581 4.321668  1723.004       161.7311 1855.380       
219.2042 1564.849       239.5989 93.92601 5.558838 86.22559 6.618654 7.700417 
8.643336 
1 1 1 9   10  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   10  14 o 236.5452 5.159842  11869.24       505.4409 11247.28       
770.0242 12340.08       669.9760 230.9853 7.940376 242.1050 6.591383 -11.11969 
10.31968 
1 1 1 9   10  15 o 181.6768 5.819250  6959.470       423.3472 6973.941       
715.8641 6951.687       524.9882 181.6880 9.384807 181.6656 6.883320 
0.2244568E-01  11.63850 
1 1 1 9   10  16 o 169.3561 5.193271  6026.156       347.5537 6109.441       
605.7393 5985.281       424.3542 170.1019 8.481988 168.6102 5.994675 1.491669 
10.38654 
1 1 1 9   10  17 o 221.8286 5.059228  10363.13       439.4786 10421.15       
777.8784 10335.93       532.6299 222.0963 8.342409 221.5610 5.726026 0.5352936 
10.11846 
1 1 1 9   10  18 o 103.7659 3.349638  2204.249       136.9275 2441.861       
244.9801 2096.291       165.1295 107.6840 5.418773 99.84792 3.939188 7.836037 
6.699276 
1 1 1 9   10  19 f 128.2439 3.255201  3490.310       168.6420 3354.346       
276.6017 3570.754       212.7603 126.1901 5.220962 130.2977 3.889332 -4.107552 
6.510403 
1 1 1 9   10  20 f 127.5557 3.772269  3394.541       186.7995 3524.385       
338.5974 3337.731       223.9663 129.1885 6.242820 125.9229 4.236421 3.265617 
7.544538 
1 1 1 9   10  21 o 317.6576 8.951981  21756.14       1049.398 21920.41       
2045.166 21697.43       1222.616 316.2696 15.40254 319.0456 9.127636 -2.776031 
17.90396 
1 1 1 9   10  22 o 122.8120 2.837413  3129.935       132.5627 3289.976       
249.6870 3067.118       156.4300 124.8757 4.762544 120.7483 3.085746 4.127441 
5.674826 
1 1 1 9   10  23 o 121.8687 3.384308  3156.333       164.5737 3069.942       
278.2028 3202.840       204.1196 120.4627 5.500853 123.2746 3.943955 -2.811943 
6.768616 
1 1 1 9   10  24 o 88.77764 3.319595  1703.200       117.5367 1533.052       
194.5162 1801.052       147.5122 85.11173 5.443615 92.44355 3.800776 -7.331818 
6.639190 
1 1 1 9   10  25 o 157.2928 4.023210  5219.819       224.3515 5274.511       
465.9970 5203.317       255.9697 157.4635 7.048945 157.1220 3.880366 0.3415680 
8.046419 
1 1 1 9   10  26 o 48.44339 4.308974  526.2611       80.40829 418.8847       
136.7390 583.0171       99.41306 44.33580 7.346136 52.55098 4.505922 -8.215179 
8.617949 
1 1 1 9   10  27 o 84.72578 3.480160  1494.656       110.6327 1573.094       
213.0956 1465.714       129.4447 86.07791 5.896629 83.37364 3.698083 2.704269 
6.960320 
1 1 1 9   10  28 o 90.88982 3.301960  1655.093       107.4057 1934.799       
227.6785 1575.029       121.8117 95.36263 5.686759 86.41701 3.357459 8.945625 
6.603920 
1 1 1 9   10  29 o 121.7380 3.325151  3109.240       143.0765 3217.996       
300.0746 3077.240       162.7700 122.7266 5.823867 120.7494 3.210779 1.977180 
6.650303 
1 1 1 9   10  30 o 54.34066 4.621340  679.8739       88.16828 553.9633       
174.1893 723.2438       102.2315 50.30335 8.247943 58.37797 4.171160 -8.074615 
9.242681 
1 1 1 9   10  31 o 84.01373 3.446592  1517.419       108.6920 1490.085       
205.2857 1528.067       128.1246 83.13589 5.881542 84.89157 3.594919 -1.755676 
6.893184 
1 1 1 9   10  32 o 71.40218 5.103312  1142.809       127.0238 1090.594       
263.6782 1158.588       144.9522 69.31250 9.061158 73.49185 4.697931 -4.179352 
10.20662 
1 1 1 9   10  33 o 22.89473 6.979510  28.92086       106.6557 54.88947       
217.0967 20.65909       122.4519 25.99602 11.13575 19.79345 8.417202 6.202570 
13.95902 
1 1 1 9   10  34 o 27.08479 6.962419  166.0535       108.9145 -35.52787      
221.1742 230.5843       125.1390 23.36484 10.56408 30.80474 9.072010 -7.439892 
13.92484 
1 1 1 9   10  35 o 40.58543 7.474287  412.1405       115.9681 470.5341       
235.2621 393.3978       133.2863 40.80508 12.53124 40.36578 8.150322 0.4393082 
14.94857 
1 1 1 9   10  36 o 53.01733 6.140697  645.3830       118.1312 803.5103       
233.9505 591.2687       136.8600 55.19986 10.47429 50.83480 6.412634 4.365051 
12.28139 
1 1 1 9   10  37 o 40.51376 7.043889  350.0070       113.4328 764.0638       
224.2508 207.6375       131.4960 52.94417 10.46104 28.08335 9.435680 24.86082 
14.08778 
1 1 1 9   10  38 o 20.24369 6.214427  30.03546       106.5701 -162.0310      
188.2047 120.6833       129.2955 17.62621 8.502798 22.86117 9.065255 -5.234953 
12.42885 
1 1 1 9   10  39 o 17.00342 5.741270  -98.47759      105.6074 11.79560       
181.8252 -154.6167      129.7334 19.99272 9.231292 14.01412 6.828761 5.978597 
11.48254 
1 1 1 9   11  0  f 186.8016 2.499885  7268.638       183.7808 7156.100       
223.0056 7506.856       324.4535 184.5901 2.877587 189.0131 4.088666 -4.423019 
4.999770 
1 1 1 9   11  1  o 233.2605 2.730394  11415.93       260.8855 11502.24       
418.2991 11360.98       333.7505 233.9595 4.258603 232.5615 3.418261 1.398041 
5.460788 
1 1 1 9   11  2  f 174.9254 2.349237  6321.104       166.7862 6833.186       
278.2126 6033.819       208.3836 180.3521 3.674317 169.4986 2.928319 10.85344 
4.698474 
1 1 1 9   11  3  o 230.7242 2.618343  11164.25       252.4294 10994.69       
339.6411 11373.49       377.2994 228.7783 3.536116 232.6702 3.862482 -3.891937 
5.236686 
1 1 1 9   11  4  o 169.3066 2.700736  6005.202       188.4170 6109.471       
297.5693 5935.421       243.4331 170.5172 4.156626 168.0960 3.449399 2.421249 
5.401472 
1 1 1 9   11  5  o 111.9247 2.394565  2628.014       112.3100 2579.851       
153.5958 2683.353       164.6394 110.8259 3.301105 113.0236 3.469650 -2.197708 
4.789130 
1 1 1 9   11  6  o 310.0221 4.664621  20015.20       530.0175 19798.92       
612.9890 20655.82       1055.004 306.9183 4.757195 313.1260 8.025201 -6.207703 
9.329242 
1 1 1 9   11  7  o 334.0585 5.692094  23545.59       790.6716 23770.17       
1050.897 23252.62       1200.294 335.9836 7.450117 332.1335 8.607875 3.850067 
11.38419 
1 1 1 9   11  8  f 329.3909 6.007820  22855.67       827.6501 22722.25       
1121.013 23015.54       1227.118 328.3911 8.130935 330.3907 8.846665 -1.999603 
12.01564 
1 1 1 9   11  9  o 222.1874 2.526720  10215.73       224.4275 9882.169       
275.6966 10870.96       386.4029 216.9142 3.027364 227.4607 4.046272 -10.54652 
5.053440 
1 1 1 9   11  10 o 238.2067 4.566119  11928.52       454.3361 11826.30       
611.2748 12054.69       679.1243 237.0953 6.140937 239.3182 6.759191 -2.222870 
9.132238 
1 1 1 9   11  11 o 94.40982 2.950205  1873.594       116.8961 1920.600       
164.7899 1825.984       165.8473 95.60369 4.105604 93.21596 4.237787 2.387733 
5.900409 
1 1 1 9   11  12 o 238.7969 5.801426  11884.66       510.3073 12303.98       
1008.442 11740.32       591.6520 241.3626 9.951806 236.2312 5.965545 5.131348 
11.60285 
1 1 1 9   11  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   11  14 o 228.4412 5.567250  10970.15       511.9050 11111.36       
858.1306 10892.13       637.8187 229.4431 8.908396 227.4392 6.679638 2.003845 
11.13450 
1 1 1 9   11  15 o 79.53900 3.982188  1322.639       122.5890 1353.258       
222.7012 1309.328       146.8380 80.15926 6.617438 78.91873 4.431792 1.240532 
7.964375 
1 1 1 9   11  16 o 42.08459 6.382821  349.4218       102.6056 508.7292       
190.4103 284.2335       121.8027 48.18492 9.753080 35.98426 8.236446 12.20066 
12.76564 
1 1 1 9   11  17 o 201.3943 5.992232  8664.999       433.5189 8391.473       
874.2948 8754.175       499.2109 198.9048 10.46969 203.8838 5.832067 -4.979004 
11.98446 
1 1 1 9   11  18 o 104.7612 3.471628  2295.452       132.8435 2339.405       
264.9688 2280.696       153.5335 105.3591 5.990234 104.1633 3.510827 1.195793 
6.943256 
1 1 1 9   11  19 o 220.2157 4.363959  9927.051       355.5231 10875.84       
707.1223 9606.077       411.2864 226.8052 7.426130 213.6263 4.585753 13.17891 
8.727918 
1 1 1 9   11  20 o 170.6039 4.804121  6220.465       316.1092 5982.047       
568.4031 6327.224       380.3542 167.9634 8.060517 173.2445 5.229376 -5.281128 
9.608242 
1 1 1 9   11  21 o 189.0192 3.999213  7510.420       295.7467 7640.168       
525.7895 7450.371       357.6961 190.0064 6.591203 188.0319 4.531101 1.974518 
7.998426 
1 1 1 9   11  22 o 234.3733 5.871290  11772.10       534.2759 11537.64       
953.0328 11879.56       645.1964 231.9698 9.785826 236.7767 6.490438 -4.806931 
11.74258 
1 1 1 9   11  23 o 169.9055 3.200769  6110.708       222.1319 6009.193       
356.5971 6175.077       283.9529 168.6425 5.036533 171.1685 3.951333 -2.525925 
6.401539 
1 1 1 9   11  24 o 81.70495 3.492423  1341.240       109.6343 1583.988       
208.0459 1247.912       128.9993 86.47631 5.730374 76.93359 3.993857 9.542725 
6.984846 
1 1 1 9   11  25 o 33.59630 6.116096  220.2986       80.73797 340.8884       
153.2201 173.9435       94.99681 39.06557 9.434685 28.12703 7.785452 10.93854 
12.23219 
1 1 1 9   11  26 o 131.5333 2.634747  3707.930       131.3065 3500.199       
242.3086 3794.291       156.2347 128.7670 4.482140 134.2996 2.770919 -5.532639 
5.269495 
1 1 1 9   11  27 f 70.22939 3.745180  1014.034       95.75285 1107.025       
194.9097 984.4520       109.9333 72.13912 6.435521 68.31966 3.832698 3.819466 
7.490361 
1 1 1 9   11  28 f 142.1085 3.885715  4246.580       204.7909 4389.022       
399.7596 4195.896       238.4574 143.3057 6.644410 140.9114 4.030750 2.394348 
7.771430 
1 1 1 9   11  29 o 70.71454 3.870638  1062.130       96.63158 1072.765       
201.6133 1058.959       110.1019 70.65285 6.796895 70.77622 3.705344 
-0.1233749     7.741276 
1 1 1 9   11  30 o 51.39891 4.380799  488.9689       82.96519 744.9324       
175.8310 415.6601       94.09890 58.65081 7.140729 44.14701 5.076967 14.50381 
8.761599 
1 1 1 9   11  31 o 100.6954 3.477488  2023.593       120.2820 2427.046       
271.2914 1924.879       134.1924 106.0390 6.093846 95.35183 3.352124 10.68716 
6.954976 
1 1 1 9   11  32 o 77.75727 4.945209  1376.095       140.5053 1224.841       
267.6798 1433.617       165.0744 73.77977 8.641705 81.73477 4.810542 -7.955002 
9.890418 
1 1 1 9   11  33 o 53.66732 5.690126  550.6123       114.0319 903.1021       
237.3734 444.8620       130.0168 62.57634 9.035308 44.75830 6.919059 17.81804 
11.38025 
1 1 1 9   11  34 o 41.63148 7.159458  435.8514       113.6376 397.9351       
231.2861 447.9174       130.4718 38.65120 12.51020 44.61175 6.966082 -5.960548 
14.31892 
1 1 1 9   11  35 o 23.86127 7.096042  68.89951       107.4888 122.0122       
212.6138 50.66351       124.5825 26.96791 11.25962 20.75464 8.639227 6.213274 
14.19208 
1 1 1 9   11  36 o 26.18848 6.964244  159.2241       111.8578 -20.72502      
213.7204 227.1152       131.2736 22.59301 10.27508 29.78394 9.403481 -7.190933 
13.92849 
1 1 1 9   11  37 o 58.32713 5.605508  786.4681       121.2249 919.7963       
239.2206 740.4000       140.6169 59.69481 9.545157 56.95946 5.880210 2.735355 
11.21102 
1 1 1 9   11  38 o 31.52054 7.625100  248.2723       112.4366 456.7523       
214.1161 168.8956       132.1185 37.61740 12.02306 25.42367 9.381608 12.19373 
15.25020 
1 1 1 9   11  39 o 20.59288 9.446377  25.21177       186.7420 25.21177       
186.7420 0.000000       0.000000 20.59288 9.446377 ?        ?        ? ? 
1 1 1 9   12  0  o 162.9493 2.099213  5492.517       137.7087 5291.989       
170.4628 5869.254       233.6479 158.7440 2.557722 167.1546 3.329389 -8.410645 
4.198425 
1 1 1 9   12  1  o 256.7860 2.661135  13834.77       284.0012 13984.78       
434.6171 13722.99       375.1825 257.9842 4.012682 255.5878 3.496419 2.396332 
5.322270 
1 1 1 9   12  2  o 46.90200 3.059713  457.2877       59.67300 497.2605       
92.30764 428.5896       78.21354 48.64142 4.520146 45.16258 4.125003 3.478840 
6.119425 
1 1 1 9   12  3  o 335.3756 4.281357  23605.31       594.9274 24002.76       
922.3353 23322.13       778.5344 337.7325 6.504848 333.0188 5.568397 4.713684 
8.562715 
1 1 1 9   12  4  o 56.17253 2.721607  663.5380       64.10054 701.9525       
90.59106 625.0201       90.71276 57.80365 3.732941 54.54142 3.961531 3.262230 
5.443214 
1 1 1 9   12  5  o 264.1001 2.710577  14642.12       300.3312 14949.25       
434.6102 14361.40       415.4991 266.7459 3.880817 261.4542 3.785259 5.291748 
5.421155 
1 1 1 9   12  6  o 505.8734 7.438904  54226.88       1548.273 53203.46       
2433.570 54922.82       2006.802 501.5211 11.55781 510.2257 9.368356 -8.704590 
14.87781 
1 1 1 9   12  7  o 183.9769 3.181355  7098.680       245.3532 6860.479       
335.9228 7371.051       359.2103 180.6790 4.428461 187.2748 4.568676 -6.595825 
6.362710 
1 1 1 9   12  8  o 211.0547 3.192838  9157.543       245.5211 8958.848       
282.3526 9773.590       497.1710 206.5227 3.256454 215.5868 5.492938 -9.064072 
6.385676 
1 1 1 9   12  9  o 125.0009 2.622124  3290.483       135.0296 3324.057       
175.3222 3241.530       211.7028 125.7966 3.319625 124.2052 4.059830 1.591370 
5.244247 
1 1 1 9   12  10 o 181.4921 1.878706  6936.594       142.4764 6698.328       
209.8969 7140.181       194.0222 178.5897 2.799438 184.3945 2.506250 -5.804855 
3.757411 
1 1 1 9   12  11 o 24.94299 5.167628  113.8971       54.75987 194.0995       
100.7761 80.29472       65.23026 29.82360 7.915305 20.06238 6.645711 9.761223 
10.33526 
1 1 1 9   12  12 o 112.1235 3.411944  2681.155       148.6957 2540.492       
262.8593 2747.350       180.3201 109.8968 5.697171 114.3503 3.756021 -4.453430 
6.823888 
1 1 1 9   12  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   12  14 o 485.6538 15.24330  51018.25       2884.469 51525.52       
5140.663 50785.14       3484.742 484.4837 25.27324 486.8239 17.04982 -2.340271 
30.48661 
1 1 1 9   12  15 o 288.9127 8.849094  17306.24       967.3095 18740.34       
1849.104 16765.92       1134.998 296.2307 14.86799 281.5947 9.600450 14.63599 
17.69819 
1 1 1 9   12  16 o 204.5105 4.756021  8848.634       377.5915 8723.661       
675.8053 8905.354       455.2857 203.3015 7.917754 205.7195 5.271444 -2.417953 
9.512042 
1 1 1 9   12  17 o 265.2957 5.022111  14398.38       466.0661 15669.78       
1005.172 14050.19       526.0286 272.1790 8.796442 258.4123 4.848609 13.76669 
10.04422 
1 1 1 9   12  18 o 60.86129 4.247448  650.9816       90.13756 1032.165       
209.8364 564.7290       99.81594 69.91738 7.148529 51.80520 4.589313 18.11218 
8.494896 
1 1 1 9   12  19 o 105.5139 3.250022  2377.801       131.6370 2258.527       
238.0325 2430.349       157.9959 103.5170 5.477034 107.5107 3.500381 -3.993614 
6.500043 
1 1 1 9   12  20 o 37.85128 5.593885  331.1961       78.85377 258.8918       
148.8679 359.3941       92.96693 34.42035 9.818045 41.28222 5.363973 -6.861866 
11.18777 
1 1 1 9   12  21 o 235.4189 4.114267  11644.79       392.2969 11953.53       
650.1479 11468.03       491.9445 237.6669 6.515752 233.1709 5.025311 4.496002 
8.228534 
1 1 1 9   12  22 o 29.78656 6.151122  178.1519       76.01989 237.1454       
141.5708 154.2496       90.11381 32.94986 9.631913 26.62325 7.653199 6.326614 
12.30224 
1 1 1 9   12  23 o 30.75159 6.234976  205.6063       79.70233 198.7779       
148.7097 208.3582       94.40675 30.82387 10.03429 30.67930 7.403563 0.1445675 
12.46995 
1 1 1 9   12  24 o 98.21906 3.136708  2103.165       118.3921 1863.604       
209.4381 2215.665       143.5236 93.85767 5.315045 102.5804 3.332575 -8.722771 
6.273417 
1 1 1 9   12  25 o 89.74538 2.732476  1656.013       88.76385 1779.977       
181.7324 1617.175       101.7232 91.80927 4.714838 87.68148 2.763332 4.127792 
5.464952 
1 1 1 9   12  26 o 202.0496 3.494414  8466.473       244.3243 8916.858       
530.5817 8345.270       275.2429 205.0145 6.164372 199.0846 3.293058 5.929825 
6.988828 
1 1 1 9   12  27 f 85.89585 3.138089  1571.374       98.95792 1532.012       
193.5550 1585.305       115.1446 85.02849 5.422018 86.76321 3.161033 -1.734726 
6.276178 
1 1 1 9   12  28 f 62.86605 4.193161  908.3070       91.91866 718.4604       
182.3573 972.9719       106.4280 57.84336 7.509149 67.88875 3.734042 -10.04539 
8.386321 
1 1 1 9   12  29 o 117.1190 3.573750  2895.667       155.1878 2962.391       
302.2642 2871.783       180.8423 117.6787 6.118005 116.5593 3.695509 1.119438 
7.147501 
1 1 1 9   12  30 o 48.76964 5.433453  580.3730       87.99255 425.9827       
175.4872 632.2272       101.7014 42.98810 9.918190 54.55117 4.440624 -11.56308 
10.86691 
1 1 1 9   12  31 o 82.40848 3.418678  1397.228       100.5846 1553.971       
211.3117 1351.310       114.3728 84.93073 5.926246 79.88622 3.410138 5.044510 
6.837356 
1 1 1 9   12  32 o 37.77489 7.604217  293.5577       110.2396 459.4221       
234.4377 246.4707       124.9112 43.03709 12.33520 32.51269 8.896023 10.52440 
15.20843 
1 1 1 9   12  33 o 55.45892 6.529240  748.5079       117.7104 663.4927       
252.1001 772.2097       133.1114 51.25657 11.92822 59.66127 5.314273 -8.404701 
13.05848 
1 1 1 9   12  34 o 42.80517 6.841874  353.9108       111.4219 741.7607       
224.4813 227.1211       128.3484 54.95916 10.10708 30.65119 9.224526 24.30797 
13.68375 
1 1 1 9   12  35 f 56.95374 4.795815  762.7953       104.9366 655.3053       
181.3893 816.8669       128.6507 52.86111 8.173279 61.04638 5.019649 -8.185261 
9.591630 
1 1 1 9   12  36 o 61.61053 5.370692  910.0594       118.8700 846.5651       
231.5930 932.7697       138.5065 58.28828 9.463794 64.93277 5.080744 -6.644489 
10.74138 
1 1 1 9   12  37 o 56.69440 6.370443  842.5535       126.5505 728.6861       
237.0799 887.9257       149.6544 50.80600 11.39684 62.58281 5.695811 -11.77682 
12.74089 
1 1 1 9   12  38 o 35.33306 7.809386  333.2304       116.1759 497.1829       
229.5816 276.7961       134.6945 38.98489 12.44865 31.68123 9.432772 7.303663 
15.61877 
1 1 1 9   12  39 o 39.48191 6.205583  515.2925       114.9575 184.8924       
192.4620 698.5477       143.3352 25.34162 10.65361 53.62219 6.366921 -28.28057 
12.41117 
1 1 1 9   13  0  o 60.48984 3.049871  766.3186       77.02094 659.2659       
105.7542 887.2426       112.3971 56.00361 4.497828 64.97607 4.120243 -8.972466 
6.099742 
1 1 1 9   13  1  f 159.7562 2.940015  5226.815       158.1107 5138.062       
176.1973 5593.761       358.2690 156.4140 2.683147 163.0983 5.232158 -6.684265 
5.880030 
1 1 1 9   13  2  o 135.5065 2.348667  3856.221       133.4678 4109.496       
190.6530 3612.802       186.9067 139.8710 3.246663 131.1421 3.394720 8.728897 
4.697334 
1 1 1 9   13  3  o 216.9361 2.961057  9892.434       268.5249 9920.665       
363.5626 9858.546       398.3155 217.2877 3.985337 216.5845 4.380471 0.7032166 
5.922114 
1 1 1 9   13  4  o 297.6276 4.207534  18615.65       522.1688 18796.11       
787.4336 18474.02       697.6142 298.8781 6.275393 296.3772 5.606497 2.500916 
8.415069 
1 1 1 9   13  5  o 373.5313 5.225555  29370.31       812.1778 29493.00       
1234.814 29276.77       1078.229 374.1383 7.861231 372.9243 6.886707 1.213989 
10.45111 
1 1 1 9   13  6  o 339.7526 4.616088  24083.17       598.4322 24796.01       
1116.046 23795.51       708.9705 343.0742 7.748454 336.4310 5.019417 6.643158 
9.232176 
1 1 1 9   13  7  o 314.5866 4.382216  20871.81       574.2605 20407.52       
862.7373 21241.16       769.4918 311.3895 6.599267 317.7837 5.767578 -6.394226 
8.764433 
1 1 1 9   13  8  o 275.7767 4.522941  16003.55       523.6411 15769.43       
737.9676 16240.96       743.1401 273.7427 6.421194 277.8106 6.371519 -4.067871 
9.045882 
1 1 1 9   13  9  f 267.5322 3.756804  15208.43       352.5278 14763.00       
736.9854 15340.58       401.4318 264.8368 6.628291 270.2276 3.538369 -5.390808 
7.513608 
1 1 1 9   13  10 o 285.6958 2.909111  17053.88       344.0335 16589.63       
447.6280 17723.89       537.7494 280.9951 3.794369 290.3965 4.410722 -9.401428 
5.818222 
1 1 1 9   13  11 o 245.5804 2.335615  12728.98       222.4318 12511.60       
398.7382 12827.19       268.0066 244.0176 3.892133 247.1431 2.582963 -3.125443 
4.671231 
1 1 1 9   13  12 o 139.7449 3.828961  3895.095       198.4637 4563.993       
399.0406 3675.258       228.7638 147.2465 6.454954 132.2433 4.120356 15.00323 
7.657921 
1 1 1 9   13  13 o 134.7649 5.681066  3821.097       321.4293 0.000000       
0.000000 3821.097       321.4293 ?        ?        134.7649 5.681066 ? ? 
1 1 1 9   13  14 o 102.2276 3.408534  2225.362       144.2602 1982.542       
215.1641 2423.652       194.4364 97.07974 5.279130 107.3754 4.313144 -10.29565 
6.817068 
1 1 1 9   13  15 o 192.4689 5.122217  7798.829       370.2154 7835.355       
704.4898 7784.894       435.1440 192.5935 8.712727 192.3443 5.388584 0.2491913 
10.24443 
1 1 1 9   13  16 o 229.3705 4.398757  11045.35       379.1059 11168.60       
721.9609 10998.43       445.4635 230.0701 7.474369 228.6708 4.640049 1.399292 
8.797513 
1 1 1 9   13  17 f 113.4353 3.510246  2728.039       157.1114 2649.024       
271.6991 2767.732       192.5725 112.1410 5.770918 114.7295 3.997975 -2.588562 
7.020492 
1 1 1 9   13  18 o 142.4451 3.025278  4297.990       164.6698 4197.789       
302.3553 4340.245       196.3439 141.1906 5.100738 143.6996 3.254491 -2.509003 
6.050557 
1 1 1 9   13  19 o 119.9407 3.439597  3036.783       158.9565 3012.472       
288.8070 3047.348       190.3882 119.5157 5.755773 120.3656 3.767546 
-0.8498688     6.879195 
1 1 1 9   13  20 o 147.0439 3.831872  4566.889       222.3364 4544.287       
386.7740 4578.044       271.7187 146.6479 6.282063 147.4399 4.389606 
-0.7919312     7.663743 
1 1 1 9   13  21 o 137.4884 3.395993  3952.804       183.6413 4081.548       
324.4375 3892.110       222.7616 139.0157 5.558893 135.9610 3.902535 3.054657 
6.791986 
1 1 1 9   13  22 o 90.54819 2.700983  1763.041       99.00912 1578.357       
158.1509 1882.078       126.9691 86.52105 4.353825 94.57534 3.197725 -8.054291 
5.401966 
1 1 1 9   13  23 o 83.55402 2.991831  1443.792       90.66331 1529.560       
184.4237 1416.458       104.1127 85.06246 5.164162 82.04558 3.022522 3.016884 
5.983662 
1 1 1 9   13  24 o 113.6083 3.137848  2647.115       121.5561 2857.537       
271.0198 2594.126       136.0029 116.1808 5.556325 111.0358 2.917468 5.145012 
6.275697 
1 1 1 9   13  25 o 77.36598 3.435532  1199.587       94.13962 1387.303       
202.1982 1147.635       106.3718 80.90933 5.952504 73.82263 3.432085 7.086700 
6.871064 
1 1 1 9   13  26 o 45.36887 5.077888  446.8732       80.14300 442.8773       
162.2932 448.1618       92.16433 44.67906 8.967894 46.05867 4.766203 -1.379612 
10.15578 
1 1 1 9   13  27 o 44.09061 5.132412  383.8657       82.03018 506.4509       
166.9853 344.8743       94.17680 47.84999 8.627389 40.33123 5.561905 7.518761 
10.26482 
1 1 1 9   13  28 o 127.5774 3.191110  3376.768       146.5651 3578.965       
301.2606 3314.070       167.7565 129.7662 5.529704 125.3887 3.186707 4.377464 
6.382220 
1 1 1 9   13  29 o 135.8134 3.084884  3836.650       146.1575 4041.970       
313.7096 3779.726       165.1801 137.7350 5.425060 133.8917 2.938495 3.843292 
6.169767 
1 1 1 9   13  30 o 21.50567 5.955869  66.39541       74.33997 52.87795       
134.0223 72.40266       89.34434 22.39615 9.094127 20.61519 7.693268 1.780960 
11.91174 
1 1 1 9   13  31 f 54.44354 4.692730  566.6912       99.13159 861.0448       
190.2287 456.9550       116.1492 62.84379 7.209991 46.04330 6.008569 16.80050 
9.385460 
1 1 1 9   13  32 o 98.05928 4.450364  2212.276       166.9708 1761.947       
285.7917 2445.648       205.7352 89.22437 7.629344 106.8942 4.584328 -17.66981 
8.900727 
1 1 1 9   13  33 o 61.34254 5.449881  845.8215       124.1928 840.6030       
237.1308 847.7939       145.7861 60.25554 9.373723 62.42953 5.562205 -2.173992 
10.89976 
1 1 1 9   13  34 o 22.96951 6.952451  36.99834       107.6142 80.50108       
206.9968 20.88554       125.9769 26.04452 11.00350 19.89450 8.501131 6.150019 
13.90490 
1 1 1 9   13  35 o 70.18442 5.013757  1045.733       129.5273 1297.906       
264.1035 965.8668       148.6301 74.15345 8.483281 66.21538 5.346491 7.938072 
10.02751 
1 1 1 9   13  36 o 21.55422 6.759508  -11.83446      107.9260 115.7325       
209.7214 -57.78780      125.8729 26.23829 11.08005 16.87015 7.745728 9.368141 
13.51902 
1 1 1 9   13  37 o 67.26695 4.886956  985.8485       118.4611 1215.708       
247.9206 917.8428       134.8510 70.32861 8.396567 64.20531 5.002699 6.123299 
9.773911 
1 1 1 9   13  38 o 41.80691 7.447698  452.7778       119.2137 627.2042       
232.0273 390.2176       138.9575 45.10592 12.02830 38.50791 8.785940 6.598007 
14.89540 
1 1 1 9   13  39 o 28.17406 7.670961  208.1985       115.9346 407.8615       
225.1001 136.1142       135.2530 33.22562 12.24789 23.12250 9.239251 10.10312 
15.34192 
1 1 1 9   14  0  o 112.5750 2.697720  2663.695       127.4625 2586.944       
180.2508 2740.460       180.2677 110.9509 3.869612 114.1990 3.759903 -3.248123 
5.395439 
1 1 1 9   14  1  o 344.8520 9.637042  25125.08       1395.261 25125.08       
1395.261 0.000000       0.000000 344.8520 9.637042 ?        ?        ? ? 
1 1 1 9   14  2  o 425.1190 8.877187  38338.82       1579.830 38355.27       
2154.604 38319.68       2323.361 425.3873 12.06435 424.8506 13.02571 0.5366516 
17.75437 
1 1 1 9   14  3  o 56.59689 2.858051  673.3552       67.85287 638.8325       
95.66055 708.3113       96.25914 55.13506 4.132626 58.05871 3.949078 -2.923649 
5.716101 
1 1 1 9   14  4  o 49.15811 3.093629  507.9198       63.77744 476.9572       
89.54758 539.7941       90.85651 47.63621 4.477521 50.68001 4.270123 -3.043800 
6.187257 
1 1 1 9   14  5  o 311.7404 4.433797  20414.98       556.1457 20576.64       
932.0660 20325.61       693.0347 312.5877 7.102249 310.8930 5.309641 1.694672 
8.867595 
1 1 1 9   14  6  o 74.18047 2.749600  1157.515       85.47698 1131.960       
123.8789 1180.739       118.0939 73.39565 4.020205 74.96529 3.752220 -1.569641 
5.499200 
1 1 1 9   14  7  o 124.8229 2.138706  3208.308       97.88171 3404.625       
196.0748 3143.146       112.9643 127.2994 3.668738 122.3465 2.199230 4.952827 
4.277411 
1 1 1 9   14  8  f 531.5295 6.586190  60470.69       1191.327 58195.83       
2588.534 61082.02       1341.888 524.2335 11.76116 538.8255 5.931838 -14.59198 
13.17238 
1 1 1 9   14  9  o 67.80335 2.643648  988.0888       67.81880 914.2180       
124.8286 1019.025       80.78076 65.95026 4.508359 69.65644 2.762280 -3.706177 
5.287296 
1 1 1 9   14  10 o 231.2955 3.146119  11141.47       295.5487 11646.24       
488.6900 10850.37       371.1085 235.3526 4.945787 227.2384 3.889917 8.114273 
6.292238 
1 1 1 9   14  11 o 228.1233 3.585929  10937.25       255.6394 10952.30       
627.1538 10934.25       279.9526 228.0844 6.549372 228.1623 2.922548 
-0.7794189E-01 7.171859 
1 1 1 9   14  12 o 136.4865 4.088559  3819.565       203.6703 4123.289       
412.3615 3721.564       234.2353 139.9070 7.020368 133.0661 4.192816 6.840820 
8.177118 
1 1 1 9   14  13 o 160.5709 4.689767  5419.077       304.0052 5389.710       
380.3713 5471.008       505.8139 160.0420 5.661021 161.0999 7.478538 -1.057831 
9.379535 
1 1 1 9   14  14 o 443.0826 10.85027  41578.26       1574.984 42683.51       
3645.676 41324.64       1746.360 444.0654 19.55475 442.0998 9.408806 1.965668 
21.70055 
1 1 1 9   14  15 o 218.0674 4.459909  10024.09       363.0271 10003.42       
696.4172 10031.81       425.3957 217.7365 7.618323 218.3984 4.639430 
-0.6619873     8.919819 
1 1 1 9   14  16 o 178.5808 3.591628  6704.682       251.2709 6730.675       
444.3300 6692.461       304.6650 178.7536 5.920682 178.4079 4.067517 0.3457184 
7.183257 
1 1 1 9   14  17 o 180.9669 3.849133  7015.406       272.1223 6568.291       
474.8687 7234.020       332.0499 176.4848 6.408954 185.4490 4.264812 -8.964172 
7.698267 
1 1 1 9   14  18 f 119.1936 3.594890  3010.278       165.6908 2945.587       
298.0934 3039.200       199.3171 118.1830 6.007839 120.2042 3.949534 -2.021179 
7.189781 
1 1 1 9   14  19 o 34.90610 5.566903  284.0982       76.38056 200.5676       
137.9278 321.0438       91.72988 30.79662 9.622931 39.01558 5.600076 -8.218956 
11.13381 
1 1 1 9   14  20 o 90.76070 3.246018  1628.801       103.9334 1936.316       
225.9429 1546.267       117.0527 95.77568 5.619071 85.74570 3.251549 10.02998 
6.492036 
1 1 1 9   14  21 o 196.0279 4.709003  7839.898       346.7495 8819.378       
676.6967 7491.146       403.7896 203.6557 7.914411 188.4001 5.104991 15.25557 
9.418006 
1 1 1 9   14  22 o 186.0850 4.015950  7310.833       255.8198 7350.489       
557.3124 7300.248       287.9480 185.9888 7.137286 186.1813 3.683825 
-0.1925354     8.031900 
1 1 1 9   14  23 f 146.7664 3.780701  4451.063       196.8256 4755.307       
414.1791 4362.312       223.6991 149.6407 6.592644 143.8922 3.702952 5.748459 
7.561402 
1 1 1 9   14  24 o 164.3945 4.021463  5804.765       253.4079 5520.186       
459.0880 5929.466       303.8986 161.1495 6.785599 167.6395 4.317907 -6.490067 
8.042927 
1 1 1 9   14  25 o 196.2498 4.968287  8120.403       349.1957 8331.715       
716.8854 8054.670       399.8369 197.2408 8.657130 195.2587 4.877457 1.982086 
9.936573 
1 1 1 9   14  26 o 122.9421 3.767911  3291.352       174.1885 2984.701       
321.6386 3418.616       207.2049 118.5407 6.462816 127.3436 3.875644 -8.802925 
7.535821 
1 1 1 9   14  27 o 71.48349 3.782766  990.4891       97.45060 1268.229       
208.2691 912.6368       110.2660 77.20346 6.425534 65.76351 3.993719 11.43995 
7.565532 
1 1 1 9   14  28 o 40.37499 5.865306  455.9314       86.03985 167.4240       
173.6000 549.8776       99.06276 29.79471 10.77795 50.95527 4.630655 -21.16056 
11.73061 
1 1 1 9   14  29 o 75.13522 3.147584  1167.014       84.28201 1254.756       
176.3526 1141.040       95.94897 76.72557 5.474730 73.54488 3.107484 3.180687 
6.295167 
1 1 1 9   14  30 o 41.43916 5.741310  386.4206       83.09708 372.3917       
172.0672 390.6877       94.89686 40.10222 10.19455 42.77611 5.284108 -2.673889 
11.48262 
1 1 1 9   14  31 f 68.97263 5.195544  1012.854       134.7247 1098.488       
259.3514 981.2051       157.6668 70.34881 8.781179 67.59646 5.555681 2.752350 
10.39109 
1 1 1 9   14  32 o 64.17137 5.408196  934.9910       130.2983 853.4940       
239.5397 969.2379       155.2805 61.33770 9.301888 67.00504 5.519893 -5.667347 
10.81639 
1 1 1 9   14  33 o 41.70513 6.793640  448.1957       110.9863 313.3095       
209.5289 500.8013       130.8509 35.74104 11.91074 47.66921 6.538222 -11.92817 
13.58728 
1 1 1 9   14  34 o 45.16841 6.395900  441.9521       101.6692 576.9937       
217.3732 404.1383       115.0263 47.69604 11.06100 42.64079 6.425296 5.055256 
12.79180 
1 1 1 9   14  35 o 47.27506 6.607765  530.3035       111.3229 580.3929       
226.2223 514.2981       127.8778 46.68685 11.58244 47.86327 6.363760 -1.176422 
13.21553 
1 1 1 9   14  36 o 20.26787 6.524487  -31.54526      108.4830 9.998666       
209.3420 -46.79730      126.8430 23.26718 10.40845 17.26856 7.870197 5.998623 
13.04897 
1 1 1 9   14  37 o 31.82868 7.729388  262.5416       115.2440 339.6296       
220.1420 233.4403       135.2587 33.87383 12.14854 29.78353 9.559635 4.090300 
15.45878 
1 1 1 9   14  38 o 25.24425 6.952966  154.1733       116.2508 -46.17301      
223.1455 228.8026       136.1922 21.55824 10.05799 28.93025 9.602693 -7.372011 
13.90593 
1 1 1 9   14  39 o 55.61264 6.209274  711.4014       128.6547 1151.536       
266.9353 578.2242       146.8346 63.22366 10.05651 48.00163 7.286074 15.22203 
12.41855 
1 1 1 9   15  0  o 157.6754 3.050738  5195.283       197.2738 5372.947       
317.1562 5083.171       251.9427 159.8361 4.726280 155.5147 3.858792 4.321365 
6.101475 
1 1 1 9   15  1  o 377.4136 6.841059  30084.32       1078.522 29761.38       
1450.678 30483.40       1612.670 375.2820 9.207346 379.5451 10.12053 -4.263153 
13.68212 
1 1 1 9   15  2  o 350.2527 10.23565  25953.44       1505.136 0.000000       
0.000000 25953.44       1505.136 ?        ?        350.2527 10.23565 ? ? 
1 1 1 9   15  3  o 199.0598 6.009945  8339.473       502.2650 8339.473       
502.2650 0.000000       0.000000 199.0598 6.009945 ?        ?        ? ? 
1 1 1 9   15  4  o 194.0743 3.347023  7746.664       210.3887 7650.896       
231.9230 8191.707       499.9610 190.8556 2.894410 197.2931 6.035946 -6.437485 
6.694046 
1 1 1 9   15  5  o 241.0154 3.139859  12050.55       285.0699 12571.88       
544.9426 11854.14       334.4872 244.4873 5.309033 237.5435 3.353957 6.943863 
6.279718 
1 1 1 9   15  6  o 311.5758 3.225303  20413.43       421.7071 20629.54       
589.3275 20186.65       603.6999 313.2740 4.480777 309.8776 4.640363 3.396423 
6.450607 
1 1 1 9   15  7  o 210.7748 2.498655  9290.637       217.3509 9563.811       
342.4938 9106.438       281.2401 213.3417 3.823825 208.2080 3.217369 5.133728 
4.997310 
1 1 1 9   15  8  f 230.4366 3.143950  11067.81       260.3152 11344.16       
532.9464 10981.22       298.3232 232.2302 5.466204 228.6429 3.107781 3.587372 
6.287900 
1 1 1 9   15  9  o 333.6377 4.470962  22987.15       406.3071 24021.63       
1187.098 22849.88       432.4247 337.4602 8.378865 329.8152 3.122920 7.644928 
8.941924 
1 1 1 9   15  10 o 117.5034 2.213418  2834.174       100.9482 3072.862       
184.9410 2732.879       120.4791 120.9324 3.642601 114.0744 2.515616 6.857994 
4.426835 
1 1 1 9   15  11 o 116.5141 3.264157  2884.939       134.7383 2796.914       
277.6286 2912.060       154.1034 115.2892 5.735833 117.7389 3.117548 -2.449677 
6.528314 
1 1 1 9   15  12 o 102.9392 3.907637  2196.058       163.6833 2363.224       
270.9801 2100.026       205.3865 105.9509 6.091913 99.92754 4.895620 6.023399 
7.815273 
1 1 1 9   15  13 o 291.4070 6.084478  17763.50       683.2844 18366.53       
1253.381 17508.50       815.0478 294.5502 10.13549 288.2639 6.734633 6.286285 
12.16896 
1 1 1 9   15  14 o 390.9905 7.018781  32118.02       1060.415 33021.70       
1932.674 31728.80       1268.387 394.2447 11.67653 387.7364 7.791773 6.508240 
14.03756 
1 1 1 9   15  15 o 150.8370 3.262725  4744.488       192.6712 4900.063       
343.5157 4673.082       232.7236 152.5710 5.362850 149.1031 3.717705 3.467926 
6.525450 
1 1 1 9   15  16 o 55.69738 3.822659  647.5334       83.03807 668.6988       
149.0821 638.0135       99.98380 56.31992 6.304990 55.07483 4.324118 1.245094 
7.645319 
1 1 1 9   15  17 o 202.1357 3.762087  8653.561       316.3341 8217.626       
473.8043 9004.161       424.9073 197.4641 5.715206 206.8073 4.893836 -9.343185 
7.524175 
1 1 1 9   15  18 o 21.52682 5.906706  53.25964       70.85311 97.95490       
130.6076 34.62080       84.34260 24.80994 9.293148 18.24370 7.293429 6.566238 
11.81341 
1 1 1 9   15  19 o 274.5879 4.386193  15941.82       501.7829 15793.37       
755.9276 16058.76       670.9114 273.3357 6.587262 275.8401 5.793337 -2.504456 
8.772387 
1 1 1 9   15  20 o 200.1252 3.640142  8377.015       282.7130 8638.447       
511.8975 8262.275       339.1243 202.1676 6.031045 198.0827 4.077870 4.084854 
7.280283 
1 1 1 9   15  21 o 95.28506 3.068902  1831.935       109.0990 2093.259       
216.1217 1742.570       126.3839 99.56809 5.170103 91.00203 3.307972 8.566063 
6.137805 
1 1 1 9   15  22 o 108.4591 3.183681  2461.274       127.5220 2525.320       
250.4143 2438.850       148.1741 109.2754 5.458305 107.6429 3.278749 1.632530 
6.367362 
1 1 1 9   15  23 o 122.1543 3.561391  3190.013       154.1209 3086.192       
317.0385 3222.141       176.3623 120.6093 6.261121 123.6992 3.395939 -3.089851 
7.122783 
1 1 1 9   15  24 o 65.81340 3.367947  878.5135       83.96358 999.4928       
162.0571 834.1213       98.16705 68.70856 5.617956 62.91825 3.716295 5.790306 
6.735894 
1 1 1 9   15  25 o 124.6312 2.744469  3142.630       120.6283 3518.848       
258.9170 3038.329       136.3279 129.0736 4.777980 120.1888 2.701728 8.884743 
5.488937 
1 1 1 9   15  26 o 59.43138 4.159435  786.3127       88.74378 675.1868       
173.2019 825.8710       103.3390 56.27868 7.330436 62.58408 3.932978 -6.305397 
8.318871 
1 1 1 9   15  27 o 86.22282 3.620220  1605.026       117.6704 1503.925       
218.3319 1646.416       139.6953 84.09708 6.183828 88.34858 3.766199 -4.251503 
7.240441 
1 1 1 9   15  28 o 61.27451 4.471947  872.7054       95.22678 670.6804       
187.9935 942.4333       110.4444 55.76491 8.029764 66.78410 3.939052 -11.01919 
8.943894 
1 1 1 9   15  29 o 130.3060 2.703606  3712.435       127.0956 3352.237       
249.9357 3838.063       147.6047 125.6342 4.738507 134.9778 2.604706 -9.343628 
5.407212 
1 1 1 9   15  30 o 96.71021 3.574137  1940.316       122.1473 2096.781       
258.7330 1895.442       138.5603 98.75410 6.240477 94.66631 3.486296 4.087791 
7.148273 
1 1 1 9   15  31 o 64.91771 5.260406  995.4093       125.2818 750.6647       
225.3026 1104.958       150.7345 57.95629 9.259480 71.87913 4.994947 -13.92284 
10.52081 
1 1 1 9   15  32 o 99.29383 3.852420  2077.871       152.4489 2285.836       
265.5220 1975.604       186.1967 102.5335 6.168159 96.05412 4.617183 6.479431 
7.704841 
1 1 1 9   15  33 o 86.03682 4.428529  1575.838       143.3545 1740.354       
276.6038 1515.421       167.6231 88.21494 7.468564 83.85869 4.761096 4.356255 
8.857059 
1 1 1 9   15  34 f 67.45126 5.417225  1060.307       134.9162 971.8181       
253.3749 1095.326       159.3915 64.10612 9.414237 70.79641 5.362597 -6.690292 
10.83445 
1 1 1 9   15  35 o 87.31929 4.478649  1759.871       143.4200 1594.752       
271.9678 1823.477       168.7982 82.93424 7.810966 91.70434 4.384289 -8.770096 
8.957297 
1 1 1 9   15  36 o 19.72602 6.391479  -34.42286      109.9708 -101.2563      
212.6464 -10.02261      128.4867 20.92115 9.783149 18.53090 8.227637 2.390245 
12.78296 
1 1 1 9   15  37 o 21.68488 6.640722  45.28428       112.0935 -107.9179      
216.1987 101.6082       131.0892 20.58607 9.675457 22.78367 9.098478 -2.197599 
13.28144 
1 1 1 9   15  38 f 34.47282 7.826453  325.0457       116.8312 431.3698       
232.3691 289.0749       135.1567 36.36005 12.53520 32.58560 9.374551 3.774445 
15.65291 
1 1 1 9   15  39 o 25.28269 7.200832  177.9507       116.2346 112.0001       
227.0912 201.3618       135.3011 24.08189 10.80505 26.48349 9.521499 -2.401598 
14.40166 
1 1 1 9   15  40 o 24.71861 6.740937  181.5665       118.9491 -102.8504      
233.9131 280.7664       138.1441 19.44399 9.399924 29.99323 9.664490 -10.54924 
13.48187 
1 1 1 9   16  0  o 125.6388 2.701076  3273.896       139.9530 3547.962       
223.2468 3096.451       179.6338 129.8991 4.093549 121.3785 3.525069 8.520683 
5.402153 
1 1 1 9   16  1  o 230.9722 4.396523  11246.24       425.9491 11467.91       
593.6654 11011.05       611.4962 233.3399 6.060016 228.6044 6.371331 4.735489 
8.793046 
1 1 1 9   16  2  o 143.8834 2.794349  4411.916       154.4510 4200.888       
279.1815 4504.988       185.4088 141.3293 4.705173 146.4375 3.015777 -5.108170 
5.588699 
1 1 1 9   16  3  f 148.1734 2.997256  4614.385       167.2260 4618.417       
316.6700 4612.825       196.9226 148.1700 5.090585 148.1768 3.165456 
-0.6851196E-02 5.994512 
1 1 1 9   16  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   16  5  o 146.3134 2.773981  4481.413       167.6826 4597.195       
263.0983 4402.209       217.6045 147.8842 4.237573 144.7426 3.580902 3.141602 
5.547962 
1 1 1 9   16  6  o 165.3370 2.659151  5650.468       157.9398 5926.751       
325.2814 5565.239       180.6657 167.8934 4.614734 162.7805 2.643591 5.112869 
5.318303 
1 1 1 9   16  7  o 184.0047 2.393601  7150.590       182.1261 6888.567       
280.3348 7341.953       239.5723 181.0579 3.687912 186.9515 3.052310 -5.893570 
4.787201 
1 1 1 9   16  8  o 88.65944 2.220442  1689.796       78.71084 1517.773       
129.5733 1790.398       99.08852 84.98888 3.631402 92.33000 2.556240 -7.341118 
4.440883 
1 1 1 9   16  9  o 81.64073 2.371495  1421.662       77.13359 1330.954       
129.5319 1471.498       96.01247 79.58042 3.876963 83.70103 2.732234 -4.120613 
4.742989 
1 1 1 9   16  10 o 242.5817 2.338629  12277.14       212.4118 12554.21       
408.1179 12174.21       248.7602 244.3991 3.977472 240.7644 2.460989 3.634735 
4.677258 
1 1 1 9   16  11 o 115.7057 2.827707  2843.730       132.0066 2703.545       
216.5244 2926.659       166.5358 113.3900 4.548342 118.0214 3.360995 -4.631393 
5.655413 
1 1 1 9   16  12 o 204.1899 5.742073  8776.966       492.2456 0.000000       
0.000000 8776.966       492.2456 ?        ?        204.1899 5.742073 ? ? 
1 1 1 9   16  13 o 41.01257 5.279325  373.4420       77.71448 337.4722       
150.3498 386.5560       90.78253 39.16247 9.275510 42.86267 5.044802 -3.700207 
10.55865 
1 1 1 9   16  14 o 254.8862 5.220184  13585.46       487.8317 13968.95       
969.1458 13455.32       564.5708 256.9472 8.983927 252.8252 5.318866 4.122009 
10.44037 
1 1 1 9   16  15 o 99.88558 3.236464  2099.498       120.7367 2098.197       
231.5438 2099.984       141.4961 99.81300 5.525443 99.95817 3.371688 
-0.1451721     6.472928 
1 1 1 9   16  16 o 190.6805 4.367253  7524.293       315.0480 7996.939       
600.3580 7344.672       370.1021 194.5565 7.349968 186.8044 4.719062 7.752197 
8.734506 
1 1 1 9   16  17 o 88.65289 2.834540  1687.729       99.86872 1542.470       
167.3662 1768.049       124.4534 85.59557 4.657335 91.71022 3.232289 -6.114655 
5.669080 
1 1 1 9   16  18 o 244.0554 5.048781  12705.40       507.5817 12017.75       
786.3664 13196.53       664.5657 238.1462 7.865065 249.9646 6.332576 -11.81841 
10.09756 
1 1 1 9   16  19 o 245.1512 5.870093  12511.21       499.1924 13233.86       
1080.391 12315.05       562.8794 248.7470 10.34532 241.5555 5.550338 7.191452 
11.74019 
1 1 1 9   16  20 o 30.04163 5.826344  181.7195       67.86732 234.2323       
137.0913 164.6719       78.11047 32.74022 9.448694 27.34303 6.819629 5.397188 
11.65269 
1 1 1 9   16  21 o 264.1588 4.488116  14761.91       424.3629 14830.20       
867.9911 14740.46       486.4659 263.9172 7.833731 264.4003 4.382396 
-0.4831238     8.976232 
1 1 1 9   16  22 o 109.7402 3.266394  2403.920       124.6061 2793.091       
275.1391 2303.504       139.7605 114.8644 5.705424 104.6161 3.182051 10.24836 
6.532787 
1 1 1 9   16  23 o 70.95814 3.344243  1047.107       88.12245 1098.669       
172.4638 1028.889       102.5153 72.02356 5.703538 69.89272 3.493637 2.130844 
6.688486 
1 1 1 9   16  24 o 36.48529 5.387949  385.2488       77.36118 68.65997       
153.1313 493.7382       89.64162 24.59961 9.830330 48.37098 4.414138 -23.77137 
10.77590 
1 1 1 9   16  25 f 24.56471 5.850612  126.5035       74.89961 -30.87488      
154.9755 174.4669       85.55506 21.03218 9.211390 28.09723 7.215879 -7.065052 
11.70122 
1 1 1 9   16  26 o 69.07332 3.665400  1083.711       92.37260 853.5838       
171.4999 1177.756       109.6344 63.37811 6.445336 74.76853 3.492602 -11.39042 
7.330800 
1 1 1 9   16  27 o 65.61457 3.851576  806.5725       94.06170 1155.673       
194.5612 700.0891       107.4538 73.68131 6.289555 57.54783 4.447478 16.13348 
7.703153 
1 1 1 9   16  28 o 71.42464 3.970050  1171.089       99.70354 925.1949       
195.4192 1257.622       115.9271 65.66503 7.088498 77.18426 3.577481 -11.51923 
7.940099 
1 1 1 9   16  29 o 58.86227 3.551542  665.1505       77.28314 894.9512       
160.0955 595.3298       88.24610 64.69353 5.894397 53.03102 3.963570 11.66250 
7.103084 
1 1 1 9   16  30 o 83.70612 3.729334  1562.974       114.2214 1356.836       
216.9704 1642.005       134.3443 79.33707 6.513964 88.07516 3.633180 -8.738091 
7.458667 
1 1 1 9   16  31 o 70.31674 4.696654  1112.618       121.0962 987.0735       
229.9223 1160.812       142.4558 66.86862 8.189921 73.76485 4.599936 -6.896233 
9.393308 
1 1 1 9   16  32 o 20.23667 6.470794  -46.70341      105.9336 -51.14666      
201.5825 -45.00821      124.5124 22.70799 10.18457 17.76536 7.984940 4.942631 
12.94159 
1 1 1 9   16  33 o 44.22128 6.809826  505.4475       107.1352 375.9510       
224.6256 543.5800       121.8927 38.54818 12.31399 49.89438 5.818984 -11.34620 
13.61965 
1 1 1 9   16  34 o 37.69651 6.453654  355.3888       97.56392 305.8345       
171.1263 379.2532       118.7551 34.88865 10.68206 40.50438 7.245152 -5.615734 
12.90731 
1 1 1 9   16  35 f 47.33097 6.481822  712.7004       127.9346 144.7837       
227.7212 974.6141       154.6466 28.26143 11.71676 66.40051 5.547406 -38.13909 
12.96364 
1 1 1 9   16  36 o 32.44083 7.209644  284.6112       106.6070 208.8980       
217.0829 308.6740       122.3807 29.57194 11.74000 35.30972 8.371873 -5.737774 
14.41929 
1 1 1 9   16  37 o 25.76118 7.280005  147.8935       114.6626 97.83789       
219.1062 166.7720       134.5589 25.44467 11.04799 26.07770 9.483452 
-0.6330223     14.56001 
1 1 1 9   16  38 o 47.66909 7.124385  617.4791       123.8686 623.8007       
244.7762 615.3030       143.6149 44.33048 12.57190 51.00770 6.706331 -6.677216 
14.24877 
1 1 1 9   16  39 o 31.44369 6.638373  315.8853       106.4929 144.9297       
190.5227 393.5659       128.4285 24.41962 10.44528 38.46775 8.195619 -14.04814 
13.27675 
1 1 1 9   16  40 o 27.96874 7.788456  240.0384       120.7886 395.3433       
238.5658 186.5015       140.0691 31.02621 12.31040 24.91127 9.544335 6.114939 
15.57691 
1 1 1 9   17  0  o 296.6573 3.431710  18374.75       389.7753 18893.99       
722.4686 18161.57       462.9257 299.4223 5.747194 293.8923 3.751838 5.529999 
6.863419 
1 1 1 9   17  1  o 49.17283 2.628233  512.0733       49.89408 498.7921       
89.93855 517.9778       59.96798 48.69396 4.399384 49.65171 2.876778 
-0.9577484     5.256465 
1 1 1 9   17  2  o 249.0638 3.281209  13109.96       338.3932 12672.62       
518.8952 13433.59       446.3719 245.3844 5.036790 252.7432 4.206670 -7.358841 
6.562418 
1 1 1 9   17  3  o 102.6524 2.415900  2227.588       91.03381 2187.466       
178.5955 2241.670       105.8114 101.9960 4.170696 103.3087 2.439589 -1.312775 
4.831801 
1 1 1 9   17  4  o 282.8756 3.710484  16779.40       386.0832 16965.45       
760.4119 16714.79       448.1435 283.7570 6.382979 281.9942 3.785280 1.762817 
7.420968 
1 1 1 9   17  5  o 245.4256 3.649706  12659.12       376.0595 0.000000       
0.000000 12659.12       376.0595 ?        ?        245.4256 3.649706 ? ? 
1 1 1 9   17  6  o 71.67728 4.381229  1080.284       131.8428 1080.284       
131.8428 0.000000       0.000000 71.67728 4.381229 ?        ?        ? ? 
1 1 1 9   17  7  o 42.44143 3.663756  376.1852       58.94396 385.5376       
111.0276 372.5147       69.55551 42.78526 6.180986 42.09759 3.935459 0.6876755 
7.327512 
1 1 1 9   17  8  o 82.51535 2.187300  1465.550       71.67128 1317.160       
119.7331 1548.409       89.47119 79.16833 3.602333 85.86237 2.481998 -6.694038 
4.374599 
1 1 1 9   17  9  o 56.77486 2.867740  682.2183       63.29589 665.3564       
112.7174 689.9843       76.49547 56.24329 4.773548 57.30643 3.179460 -1.063141 
5.735480 
1 1 1 9   17  10 o 96.74734 2.334669  1944.883       85.67162 2017.709       
161.7232 1916.473       101.0090 97.97262 3.931774 95.52206 2.518705 2.450554 
4.669339 
1 1 1 9   17  11 o 168.2192 3.017668  5965.009       212.4852 5711.652       
308.5363 6193.585       293.0595 164.8000 4.459337 171.6384 4.066890 -6.838440 
6.035336 
1 1 1 9   17  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   17  13 o 268.3260 4.361585  14977.81       459.6941 15724.34       
817.4297 14632.51       555.9321 272.9762 7.132582 263.6759 5.021950 9.300232 
8.723170 
1 1 1 9   17  14 o 25.68643 5.813430  133.4482       67.29054 139.1365       
120.8473 130.8920       81.01133 26.64765 9.045559 24.72521 7.304912 1.922443 
11.62686 
1 1 1 9   17  15 o 128.4004 2.694885  3310.593       130.6813 3825.726       
254.4406 3126.019       152.3042 134.8347 4.494750 121.9660 2.974365 12.86874 
5.389771 
1 1 1 9   17  16 o 190.7395 4.634197  7663.123       316.9456 7715.959       
647.4542 7646.471       363.4743 190.8867 8.078943 190.5923 4.542444 0.2944183 
9.268394 
1 1 1 9   17  17 o 155.5241 2.736210  5201.934       168.9129 4726.764       
283.3095 5463.999       210.3979 149.8293 4.503865 161.2189 3.108470 -11.38954 
5.472420 
1 1 1 9   17  18 o 228.0016 5.321619  10854.78       423.8194 11315.41       
905.7180 10725.65       479.5630 230.4553 9.361110 225.5479 5.064400 4.907425 
10.64324 
1 1 1 9   17  19 o 167.3212 2.855466  5809.073       166.2115 6050.607       
357.6228 5742.524       187.7178 169.3624 5.029553 165.2800 2.705242 4.082352 
5.710931 
1 1 1 9   17  20 o 124.6051 3.393541  3183.010       148.9499 3448.043       
317.7555 3108.374       168.6237 127.6697 5.928246 121.5404 3.304600 6.129326 
6.787083 
1 1 1 9   17  21 o 150.8774 2.859522  4781.297       152.0762 4828.645       
318.7340 4767.342       173.0430 151.1944 5.021275 150.5604 2.737565 0.6339569 
5.719043 
1 1 1 9   17  22 o 189.2828 4.461014  7297.909       267.4962 8075.289       
659.4897 7144.830       292.6507 194.4315 8.079090 184.1340 3.785616 10.29744 
8.922028 
1 1 1 9   17  23 o 44.47179 5.002392  476.6991       69.65792 352.8130       
151.7676 509.7620       78.40405 39.76208 9.256207 49.18150 3.797150 -9.419426 
10.00478 
1 1 1 9   17  24 o 155.3788 4.066023  4990.775       222.8431 5341.373       
472.7928 4890.644       252.6695 158.4409 7.107628 152.3167 3.951177 6.124222 
8.132046 
1 1 1 9   17  25 o 27.52600 6.083839  155.8621       67.70932 150.2033       
153.0477 157.2392       75.49979 28.36806 10.13389 26.68393 6.734737 1.684130 
12.16768 
1 1 1 9   17  26 o 156.3838 4.081231  5233.375       234.1809 5088.684       
457.7769 5284.662       272.5421 154.5123 7.056865 158.2553 4.102006 -3.742981 
8.162462 
1 1 1 9   17  27 o 50.20874 4.374939  504.4872       76.18407 595.8307       
169.1061 481.2274       85.33438 52.70050 7.643029 47.71698 4.259633 4.983528 
8.749878 
1 1 1 9   17  28 f 126.6373 3.545631  3286.414       154.5766 3617.751       
341.3230 3200.925       173.3749 130.1095 6.248526 123.1650 3.352896 6.944527 
7.091261 
1 1 1 9   17  29 o 45.09325 4.514029  429.6535       79.41614 455.1993       
143.0391 418.2699       95.48503 45.87086 7.427439 44.31564 5.132150 1.555218 
9.028057 
1 1 1 9   17  30 o 41.48176 5.777627  391.4059       86.89364 366.7256       
169.3183 400.2300       101.2427 39.73713 10.11937 43.22639 5.578735 -3.489258 
11.55525 
1 1 1 9   17  31 o 27.14002 7.134466  142.5310       107.2210 46.86396       
201.0547 180.5521       126.7492 25.71718 10.85379 28.56285 9.262702 -2.845671 
14.26893 
1 1 1 9   17  32 o 21.59936 6.635978  10.14733       106.2410 -56.52151      
196.6805 37.61481       126.2435 22.25642 10.01779 20.94230 8.705676 1.314123 
13.27196 
1 1 1 9   17  33 o 32.56215 7.499539  227.5437       108.6430 338.0491       
204.6969 184.2069       128.1881 36.80033 11.75500 28.32397 9.316241 8.476358 
14.99908 
1 1 1 9   17  34 o 54.84766 5.752681  639.5144       119.3154 824.4090       
234.8171 575.1622       138.5317 58.89761 9.496274 50.79771 6.495702 8.099895 
11.50536 
1 1 1 9   17  35 o 30.89999 7.142385  251.2371       111.9618 107.8309       
211.3592 307.1740       132.0038 26.55682 11.16443 35.24315 8.911242 -8.686325 
14.28477 
1 1 1 9   17  36 o 33.55213 7.709175  278.5730       113.7789 374.6303       
220.5367 243.7315       132.8203 36.23105 12.21961 30.87321 9.402480 5.357836 
15.41835 
1 1 1 9   17  37 o 27.52789 7.391672  125.6200       105.7899 363.0303       
217.6571 52.18858       121.0498 34.88936 12.12187 20.16642 8.462129 14.72295 
14.78334 
1 1 1 9   17  38 f 18.68909 6.230646  -68.66934      114.1477 -113.7654      
223.0542 -52.66902      132.8635 20.32621 9.653315 17.05197 7.880185 3.274240 
12.46129 
1 1 1 9   17  39 o 25.74850 7.498096  138.1573       117.6115 348.2440       
229.5545 63.38093       136.9521 31.14607 12.15439 20.35094 8.783885 10.79513 
14.99619 
1 1 1 9   17  40 o 25.39205 7.385991  199.6636       121.4513 188.9633       
241.7028 203.2780       140.4731 25.04437 11.19425 25.73973 9.638470 
-0.6953564     14.77198 
1 1 1 9   18  0  o 121.2392 1.913982  3108.171       93.35111 3020.581       
155.0789 3157.945       116.9041 119.8720 3.081456 122.6064 2.271107 -2.734390 
3.827963 
1 1 1 9   18  1  o 227.3033 3.297527  10761.97       278.6309 11126.52       
542.7734 10631.53       324.6760 229.7381 5.627384 224.8684 3.439084 4.869720 
6.595055 
1 1 1 9   18  2  o 108.2056 2.215094  2475.021       95.53739 2415.076       
162.0891 2506.933       118.2640 107.1746 3.602323 109.2366 2.578727 -2.061943 
4.430188 
1 1 1 9   18  3  o 169.4513 2.848520  6077.112       188.0573 5935.396       
333.6619 6143.089       227.6622 167.9339 4.732486 170.9686 3.171726 -3.034683 
5.697040 
1 1 1 9   18  4  o 22.00206 4.946775  94.34663       49.19864 123.3055       
85.11658 79.81712       60.29051 24.24439 7.556190 19.75974 6.386416 4.484646 
9.893550 
1 1 1 9   18  5  o 175.4732 3.071703  6511.680       206.6488 6389.535       
377.7451 6563.847       246.8644 174.2203 5.164415 176.7262 3.327198 -2.505814 
6.143405 
1 1 1 9   18  6  o 170.8219 2.886578  6149.495       206.5552 5825.902       
296.6674 6453.952       287.7623 166.4388 4.245574 175.2050 3.912086 -8.766235 
5.773155 
1 1 1 9   18  7  o 243.0621 5.649528  12441.78       576.5120 0.000000       
0.000000 12441.78       576.5120 ?        ?        243.0621 5.649528 ? ? 
1 1 1 9   18  8  o 285.1046 5.453191  17029.09       607.1036 17536.58       
1086.411 16798.66       732.0748 287.8642 8.989333 282.3451 6.175844 5.519104 
10.90638 
1 1 1 9   18  9  o 170.9044 3.114553  6053.908       216.4752 5800.443       
271.4831 6496.421       358.7129 166.1008 3.893069 175.7079 4.862692 -9.607071 
6.229106 
1 1 1 9   18  10 o 17.74210 4.697747  8.007384       46.08053 117.2217       
90.54807 -30.16329      53.53087 24.00589 7.829905 11.47830 5.193063 12.52760 
9.395494 
1 1 1 9   18  11 o 163.2287 3.280454  5493.525       205.3370 5881.192       
383.1899 5337.367       243.2022 167.1149 5.461602 159.3425 3.635439 7.772339 
6.560908 
1 1 1 9   18  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   18  13 o 142.9750 2.683894  4123.371       123.1224 4573.954       
299.5042 4031.741       135.0624 147.4074 4.839546 138.5425 2.322055 8.864868 
5.367788 
1 1 1 9   18  14 o 78.21922 2.857804  1237.329       81.03179 1386.174       
167.1588 1191.607       92.64508 81.13684 4.907182 75.30161 2.930483 5.835228 
5.715607 
1 1 1 9   18  15 o 30.08982 5.138042  213.7817       62.05966 131.8804       
117.5571 245.4256       73.07157 26.04828 8.921570 34.13136 5.099363 -8.083071 
10.27608 
1 1 1 9   18  16 o 142.7960 3.335381  4240.991       175.8074 4408.390       
346.6844 4183.039       203.9811 144.5564 5.712391 141.0356 3.444945 3.520828 
6.670762 
1 1 1 9   18  17 o 77.01888 2.852458  1230.100       84.20177 1294.110       
156.6387 1204.087       99.85634 78.36516 4.760987 75.67260 3.143099 2.692558 
5.704916 
1 1 1 9   18  18 o 79.65541 3.022496  1228.799       87.92999 1559.865       
183.9642 1130.769       100.1054 85.99023 5.095716 73.32060 3.252014 12.66962 
6.044991 
1 1 1 9   18  19 o 157.7756 3.924287  5238.383       220.4357 5300.847       
455.4575 5219.275       251.9050 158.1143 6.861164 157.4369 3.811108 0.6773529 
7.848574 
1 1 1 9   18  20 o 71.07574 2.866874  1069.208       77.05648 1054.024       
144.2817 1075.267       91.14359 70.65998 4.863610 71.49151 3.036636 
-0.8315277     5.733747 
1 1 1 9   18  21 o 166.6724 3.633957  5479.112       186.6989 6468.991       
483.9344 5306.020       202.3650 174.5505 6.603687 158.7944 3.035438 15.75612 
7.267913 
1 1 1 9   18  22 o 211.9464 5.041828  9386.620       366.7756 9869.979       
803.9510 9259.576       412.1681 214.4996 8.927384 209.3932 4.688489 5.106384 
10.08366 
1 1 1 9   18  23 o 52.55476 3.436592  463.9773       64.98518 847.2635       
145.8956 369.1113       72.58314 63.27322 5.492161 41.83630 4.132411 21.43692 
6.873183 
1 1 1 9   18  24 o 83.28023 3.312030  1321.995       94.21077 1719.146       
218.2467 1231.042       104.4429 90.09071 5.770172 76.46975 3.253197 13.62096 
6.624060 
1 1 1 9   18  25 o 111.5396 3.400157  2609.347       132.7616 2664.610       
281.6004 2593.553       150.5419 112.0917 5.983851 110.9875 3.230759 1.104233 
6.800315 
1 1 1 9   18  26 o 15.15375 4.885256  -39.68827      61.37384 -124.1808      
127.8554 -14.38972      69.96126 16.12161 7.550394 14.18590 6.201165 1.935714 
9.770512 
1 1 1 9   18  27 o 126.5166 3.732129  3423.428       169.7743 3346.567       
342.4638 3448.472       195.4868 125.2020 6.515152 127.8312 3.642518 -2.629227 
7.464258 
1 1 1 9   18  28 o 133.4280 3.518386  3624.545       166.8584 4084.486       
354.1901 3493.353       189.1646 138.2388 6.102779 128.6172 3.503175 9.621552 
7.036771 
1 1 1 9   18  29 o 123.5523 3.307245  3203.083       146.4723 3325.730       
301.2380 3165.108       167.6213 124.6868 5.754537 122.4179 3.261411 2.268913 
6.614491 
1 1 1 9   18  30 o 69.35033 5.491616  1114.348       133.6633 927.9160       
264.9503 1177.994       154.8067 64.41091 9.797743 74.28976 4.963430 -9.878845 
10.98323 
1 1 1 9   18  31 o 128.3471 3.743449  3582.763       196.7489 3311.776       
307.5228 3770.552       255.9992 123.8245 5.915505 132.8697 4.589167 -9.045151 
7.486898 
1 1 1 9   18  32 o 22.45294 6.831410  11.11930       105.8505 70.64190       
198.4899 -12.53510      125.1277 26.01953 10.87243 18.88635 8.274230 7.133184 
13.66282 
1 1 1 9   18  33 o 40.04656 7.050617  400.2434       111.8913 354.7140       
206.8432 419.0778       133.0366 37.50097 11.79754 42.59215 7.724168 -5.091183 
14.10123 
1 1 1 9   18  34 o 97.51286 4.533694  2123.724       170.0964 2103.438       
307.1590 2132.698       204.2788 96.00761 7.620415 99.01812 4.913939 -3.010513 
9.067388 
1 1 1 9   18  35 o 22.00132 6.728999  42.25275       104.0036 -12.52149      
210.9585 59.84068       119.5408 23.11138 10.39035 20.89126 8.553261 2.220123 
13.45800 
1 1 1 9   18  36 o 41.07157 7.338749  446.7188       117.6100 444.7155       
226.7350 447.4562       137.5636 39.15497 12.35793 42.98817 7.919005 -3.833202 
14.67750 
1 1 1 9   18  37 o 52.91793 6.797132  751.1920       127.8754 653.2045       
241.6587 789.2996       150.7034 47.12770 12.14164 58.70816 6.114286 -11.58046 
13.59426 
1 1 1 9   18  38 o 21.81221 6.688135  56.20592       108.0881 104.9429       
184.2191 30.61932       133.4787 23.99956 10.26849 19.62487 8.572206 4.374689 
13.37627 
1 1 1 9   18  39 o 38.88416 5.806271  553.7888       123.9032 -80.13333      
244.7576 772.2183       143.6726 20.77041 9.940013 56.99790 6.003937 -36.22749 
11.61254 
1 1 1 9   18  40 o 34.73211 7.214512  386.8813       108.7484 396.2137       
204.0290 383.1779       128.5272 32.47705 11.69073 36.98716 8.457166 -4.510109 
14.42902 
1 1 1 9   19  0  o 62.64417 2.278844  851.4135       51.84295 773.0593       
101.2336 879.2674       60.35838 60.59779 3.979140 64.69054 2.222378 -4.092758 
4.557687 
1 1 1 9   19  1  o 69.77240 2.158700  1064.181       58.30994 913.3726       
100.8866 1139.831       71.45350 65.88979 3.647005 73.65501 2.310693 -7.765221 
4.317401 
1 1 1 9   19  2  o 156.6927 2.355790  5169.170       154.6894 4808.104       
218.7966 5530.020       218.7312 151.2057 3.446621 162.1796 3.212443 -10.97395 
4.711580 
1 1 1 9   19  3  o 116.3791 2.527788  2746.652       107.9689 3058.718       
218.3050 2645.600       124.2260 120.5506 4.313355 112.2076 2.637007 8.343056 
5.055575 
1 1 1 9   19  4  o 70.39087 2.529590  1060.834       70.33005 984.5402       
119.8896 1100.865       86.84226 68.40422 4.174645 72.37752 2.857910 -3.973297 
5.059181 
1 1 1 9   19  5  o 66.66824 2.484087  939.9129       65.07808 918.9766       
113.6561 950.1250       79.37867 66.09374 4.095938 67.24275 2.811767 -1.149010 
4.968173 
1 1 1 9   19  6  o 201.0628 3.244562  8503.951       270.0312 8534.738       
418.7734 8482.040       353.2871 201.3306 4.954392 200.7949 4.190793 0.5357056 
6.489125 
1 1 1 9   19  7  o 21.25890 5.121574  80.82581       52.03580 114.1511       
92.16919 65.23416       63.04418 23.84155 7.899685 18.67626 6.520511 5.165285 
10.24315 
1 1 1 9   19  8  o 106.9980 2.540161  2424.141       105.8886 2360.675       
187.7495 2453.745       128.2282 105.9321 4.221554 108.0640 2.826334 -2.131958 
5.080323 
1 1 1 9   19  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   19  10 o 54.36233 3.459160  671.4330       71.69793 488.8733       
120.5629 771.3246       89.18176 48.15343 5.963587 60.57122 3.506959 -12.41780 
6.918319 
1 1 1 9   19  11 o 66.79994 3.016830  938.1446       74.88895 940.4034       
144.8701 937.3208       87.48479 66.81904 5.164161 66.78085 3.120338 
0.3818512E-01  6.033661 
1 1 1 9   19  12 o 164.6367 6.415338  5720.799       443.4302 0.000000       
0.000000 5720.799       443.4302 ?        ?        164.6367 6.415338 ? ? 
1 1 1 9   19  13 o 17.00234 4.714429  25.57924       54.37600 -113.5359      
105.5175 75.88117       63.44970 14.43508 6.778161 19.56960 6.554381 -5.134522 
9.428859 
1 1 1 9   19  14 o 134.9776 3.032745  3621.287       124.1966 4151.461       
326.3996 3531.531       134.2987 140.3089 5.540965 129.6463 2.467361 10.66260 
6.065489 
1 1 1 9   19  15 o 141.0566 2.764681  4201.926       144.5001 4155.110       
279.8368 4218.948       168.7368 140.4370 4.746180 141.6761 2.836835 -1.239120 
5.529363 
1 1 1 9   19  16 o 180.6271 2.923582  6588.826       157.3457 7275.112       
418.9873 6476.150       169.7718 185.6920 5.374384 175.5622 2.303326 10.12976 
5.847163 
1 1 1 9   19  17 o 62.99881 3.067968  856.8250       72.81544 788.6658       
134.7115 884.9591       86.54847 61.13211 5.248756 64.86551 3.178093 -3.733402 
6.135937 
1 1 1 9   19  18 o 117.4207 2.799536  2936.122       123.0237 2832.585       
232.9963 2976.145       144.8633 115.8785 4.789248 118.9629 2.900466 -3.084457 
5.599071 
1 1 1 9   19  19 f 67.40346 3.323528  968.2265       79.56981 940.7003       
163.3087 976.7955       91.11703 66.67414 5.834086 68.13277 3.185405 -1.458626 
6.647057 
1 1 1 9   19  20 o 100.7895 3.117643  2047.821       112.0496 2326.108       
237.4336 1968.086       127.0920 104.8739 5.392570 96.70509 3.130330 8.168816 
6.235285 
1 1 1 9   19  21 o 183.4983 4.385427  6811.111       225.1480 7599.744       
646.2910 6702.182       240.1944 188.5637 8.163777 178.4328 3.206337 10.13081 
8.770853 
1 1 1 9   19  22 f 112.2867 2.979580  2566.723       118.0043 2832.602       
252.3720 2492.328       133.4965 115.7375 5.193836 108.8360 2.921584 6.901512 
5.959160 
1 1 1 9   19  23 o 76.61311 2.860753  1238.374       84.34419 1235.497       
153.7728 1239.612       100.8719 76.48196 4.788963 76.74426 3.130729 
-0.2622986     5.721506 
1 1 1 9   19  24 o 134.4417 2.974466  3396.455       123.6032 4458.231       
326.9536 3219.404       133.5115 145.1557 5.365041 123.7276 2.570236 21.42808 
5.948931 
1 1 1 9   19  25 f 79.32118 3.497972  1406.777       100.4730 1176.411       
192.2146 1493.383       117.8556 74.43790 6.150543 84.20448 3.333774 -9.766579 
6.995944 
1 1 1 9   19  26 o 145.2174 3.948612  4406.184       192.6848 4594.068       
433.9222 4360.037       215.0500 146.6414 7.048170 143.7934 3.562226 2.847961 
7.897224 
1 1 1 9   19  27 o 50.48686 4.498818  527.4346       83.69633 580.5170       
167.3558 509.7301       96.65128 51.92978 7.676185 49.04395 4.694002 2.885834 
8.997637 
1 1 1 9   19  28 o 45.04887 5.209425  437.4480       80.76276 459.7535       
168.2736 430.7721       92.05869 45.07402 9.210528 45.02372 4.870174 
0.5030441E-01  10.41885 
1 1 1 9   19  29 o 101.5038 3.541792  2150.530       123.0576 2274.981       
271.0638 2118.222       138.1100 102.8822 6.275559 100.1255 3.285500 2.756676 
7.083583 
1 1 1 9   19  30 o 71.84892 4.709088  1038.462       128.8286 1313.674       
250.9996 940.0303       150.1093 77.46870 7.717344 66.22915 5.398578 11.23955 
9.418177 
1 1 1 9   19  31 o 65.78915 4.373388  1040.621       105.8347 685.5733       
180.7332 1225.906       130.5616 55.71364 7.726759 75.86465 4.099181 -20.15100 
8.746776 
1 1 1 9   19  32 o 60.54038 5.090112  785.2702       118.2559 880.3727       
221.4011 747.3083       139.8807 62.41932 8.448543 58.66145 5.679710 3.757874 
10.18022 
1 1 1 9   19  33 o 35.21203 6.973866  327.6666       110.0563 175.3336       
205.8869 388.6078       130.2227 29.55324 11.51529 40.87082 7.870023 -11.31758 
13.94773 
1 1 1 9   19  34 o 72.55750 4.146599  1101.721       114.2878 1316.240       
220.7261 1023.143       133.5897 76.43336 6.878469 68.68163 4.632906 7.751732 
8.293199 
1 1 1 9   19  35 o 24.82259 7.140130  31.23789       111.1179 270.5822       
211.8479 -59.60171      130.5119 32.36585 11.88664 17.27932 7.914135 15.08652 
14.28026 
1 1 1 9   19  36 o 78.97256 4.913469  1358.039       142.6381 1633.789       
288.8843 1269.140       164.0270 82.30886 8.359849 75.63627 5.165429 6.672592 
9.826939 
1 1 1 9   19  37 o 34.86936 7.009624  369.9685       118.3505 154.8391       
225.9574 451.2988       138.9322 27.09673 11.47461 42.64200 8.054353 -15.54527 
14.01925 
1 1 1 9   19  38 o 25.06297 7.073380  151.3405       117.2681 8.616958       
223.5365 205.5339       137.7443 22.61796 10.35852 27.50798 9.634932 -4.890026 
14.14676 
1 1 1 9   19  39 o 18.46238 6.125460  -44.82583      117.6640 -227.4845      
232.1667 18.30682       136.4918 18.20565 8.928603 18.71910 8.388390 
-0.5134430     12.25092 
1 1 1 9   20  0  o 124.8833 1.869210  3196.658       77.27702 3413.936       
178.9226 3146.833       85.68052 127.3678 3.346004 122.3988 1.667346 4.968987 
3.738420 
1 1 1 9   20  1  o 15.02421 3.598580  0.7138953      29.91996 102.6224       
57.02658 -37.99450      35.14589 21.71101 6.039599 8.337401 3.914376 13.37361 
7.197159 
1 1 1 9   20  2  o 130.7884 2.311439  3608.773       116.1850 3571.329       
211.9480 3624.859       138.9170 130.2481 3.875957 131.3286 2.519516 -1.080475 
4.622878 
1 1 1 9   20  3  o 119.1916 2.696889  2725.591       107.9557 3444.683       
254.5689 2567.915       119.2053 127.8452 4.742877 110.5380 2.568650 17.30723 
5.393779 
1 1 1 9   20  4  o 136.3983 3.119384  3858.131       143.2975 4019.309       
322.2468 3818.403       159.9859 138.0164 5.561333 134.7802 2.827330 3.236176 
6.238768 
1 1 1 9   20  5  o 174.3248 3.517457  6350.249       231.9335 6528.894       
438.6898 6280.940       273.2451 175.8669 5.941479 172.7827 3.766806 3.084198 
7.034913 
1 1 1 9   20  6  o 136.4909 2.882221  3963.866       156.3019 3784.213       
265.3533 4059.316       193.4169 134.0382 4.715383 138.9435 3.315715 -4.905334 
5.764443 
1 1 1 9   20  7  o 118.5107 2.969805  2823.046       121.1017 3191.215       
269.7030 2730.071       135.5329 123.0479 5.220745 113.9734 2.832451 9.074593 
5.939609 
1 1 1 9   20  8  o 129.6061 3.401345  3542.252       157.4106 3530.205       
322.8301 3546.010       180.2957 129.3457 5.944881 129.8665 3.306809 
-0.5208435     6.802691 
1 1 1 9   20  9  o 155.4192 4.234361  5242.904       244.1474 4781.677       
461.6343 5422.013       287.6725 150.3380 7.313922 160.5004 4.269168 -10.16240 
8.468722 
1 1 1 9   20  10 f 317.6783 8.008113  21386.36       1068.063 0.000000       
0.000000 21386.36       1068.063 ?        ?        317.6783 8.008113 ? ? 
1 1 1 9   20  11 o 145.6824 7.777475  4496.039       475.6909 4496.039       
475.6909 0.000000       0.000000 145.6824 7.777475 ?        ?        ? ? 
1 1 1 9   20  12 f 28.16897 6.402594  149.3346       81.25166 217.6435       
146.1594 118.7830       97.74733 31.97406 9.888935 24.36388 8.135221 7.610176 
12.80519 
1 1 1 9   20  13 o 189.8391 4.372305  7261.004       268.3404 8176.622       
648.0566 7071.533       294.8001 196.3599 7.861064 183.3182 3.830391 13.04164 
8.744611 
1 1 1 9   20  14 o 117.3764 2.620045  2837.243       109.3278 3015.890       
229.2777 2784.670       124.3786 119.6437 4.564498 115.1092 2.573693 4.534554 
5.240090 
1 1 1 9   20  15 o 79.43681 2.818288  1286.014       84.41510 1425.510       
163.3241 1235.165       98.60748 82.23367 4.730658 76.63995 3.064613 5.593727 
5.636575 
1 1 1 9   20  16 o 122.7981 3.280018  3179.225       144.5182 3179.263       
294.5122 3179.214       165.8600 122.6597 5.719029 122.9365 3.213528 
-0.2767410     6.560035 
1 1 1 9   20  17 o 204.0312 3.871076  8650.460       252.4974 9023.981       
607.3289 8572.405       277.6287 206.2196 7.014794 201.8428 3.276213 4.376816 
7.742151 
1 1 1 9   20  18 o 84.19009 2.803094  1398.813       83.30620 1671.754       
181.1406 1325.599       93.81628 88.98962 4.848390 79.39057 2.814688 9.599045 
5.606189 
1 1 1 9   20  19 o 119.3640 2.642509  2982.321       115.7492 3041.553       
229.2465 2962.053       134.0976 120.0511 4.548390 118.6769 2.691386 1.374199 
5.285017 
1 1 1 9   20  20 o 49.43420 2.724620  515.1025       56.02792 611.8340       
81.04731 426.5621       77.53990 53.89334 3.581992 44.97507 4.106524 8.918262 
5.449239 
1 1 1 9   20  21 o 37.60405 3.792809  311.1048       56.74133 251.9568       
84.70367 359.2528       76.42249 33.94915 6.170647 41.25895 4.411884 -7.309795 
7.585618 
1 1 1 9   20  22 o 105.0706 2.073869  2324.207       90.61970 2312.666       
137.7723 2333.007       120.3071 104.8237 3.130572 105.3176 2.720893 
-0.4938889     4.147739 
1 1 1 9   20  23 o 214.0748 2.169213  9613.265       193.2195 9417.247       
255.4966 9875.141       295.3152 211.5671 2.876459 216.5825 3.247756 -5.015442 
4.338426 
1 1 1 9   20  24 o 144.8352 1.938393  4413.790       117.8460 4329.487       
167.0023 4497.402       166.3188 143.4538 2.772882 146.2165 2.709355 -2.762741 
3.876787 
1 1 1 9   20  25 o 125.5539 1.925300  3316.188       100.2654 3323.081       
154.2858 3311.149       131.9199 125.6434 2.924874 125.4643 2.504443 0.1790924 
3.850600 
1 1 1 9   20  26 o 89.12848 2.084696  1672.828       77.86223 1679.844       
113.7480 1666.641       106.8071 89.29537 3.034141 88.96159 2.859689 0.3337860 
4.169393 
1 1 1 9   20  27 o 95.67838 2.306619  1920.244       91.76681 2008.578       
141.1401 1855.556       120.7811 97.54587 3.446376 93.81087 3.066668 3.734993 
4.613237 
1 1 1 9   20  28 o 86.23833 2.443605  1564.965       88.10579 1639.977       
131.8587 1504.462       118.4223 88.07920 3.565796 84.39745 3.342145 3.681755 
4.887211 
1 1 1 9   20  29 o 73.98615 2.633147  1149.424       81.20013 1239.016       
124.0712 1082.298       107.3944 76.46130 3.865007 71.51099 3.577090 4.950310 
5.266294 
1 1 1 9   20  30 o 68.17848 3.533048  989.4519       100.7252 873.8801       
137.7178 1122.384       147.6992 63.88276 5.134847 72.47420 4.854179 -8.591434 
7.066096 
1 1 1 9   20  31 o 64.87830 4.931959  957.6960       115.1207 851.6662       
224.4103 995.5645       134.1118 61.58036 8.680037 68.17622 4.685492 -6.595863 
9.863918 
1 1 1 9   20  32 o 51.27153 6.619638  706.9937       116.6844 434.5496       
224.1420 808.2759       136.6631 41.46324 12.11926 61.07982 5.329352 -19.61658 
13.23928 
1 1 1 9   20  33 o 75.86223 4.803530  1315.918       140.0982 1191.606       
246.7889 1375.029       170.1778 72.17500 8.144414 79.54946 5.095500 -7.374458 
9.607059 
1 1 1 9   20  34 o 38.03571 7.199226  386.2936       114.9581 290.1511       
214.8983 424.8352       136.0631 33.69088 12.01095 42.38054 7.940564 -8.689655 
14.39845 
1 1 1 9   20  35 o 26.81660 7.163424  164.2425       105.7698 86.76765       
216.4427 188.5478       121.2307 25.85456 11.09851 27.77865 9.059896 -1.924089 
14.32685 
1 1 1 9   20  36 f 18.59264 6.181431  -83.68293      112.8665 -160.7691      
216.7515 -55.00536      132.2041 19.86986 9.471820 17.31541 7.945124 2.554449 
12.36286 
1 1 1 9   20  37 o 49.86704 6.901387  602.0615       126.1790 781.7281       
249.8636 540.5595       146.1887 52.11582 11.70662 47.61827 7.312420 4.497547 
13.80277 
1 1 1 9   20  38 o 31.80471 7.273635  274.6700       103.6896 353.5890       
191.4077 241.8908       123.3580 33.78178 11.38404 29.82764 9.056856 3.954140 
14.54727 
1 1 1 9   20  39 o 24.74130 7.288971  157.2820       112.3689 212.4318       
232.4798 140.4698       128.3589 26.33782 11.40714 23.14478 9.077095 3.193037 
14.57794 
1 1 1 9   21  0  o 16.87999 3.592558  49.96947       34.01061 -21.46597      
50.56456 108.9893       45.96089 11.48721 5.127684 22.27276 5.033166 -10.78554 
7.185117 
1 1 1 9   21  1  o 41.43104 2.717358  402.3922       41.89285 257.2040       
69.95248 483.5839       52.31100 34.90542 4.773438 47.95665 2.598156 -13.05124 
5.434715 
1 1 1 9   21  2  o 53.87718 2.333758  634.9402       46.59594 558.8879       
87.42443 665.1170       55.06984 51.50079 4.043337 56.25358 2.331765 -4.752789 
4.667516 
1 1 1 9   21  3  o 57.78278 2.332690  690.6510       50.56932 729.0766       
97.56546 676.5361       59.13213 58.83342 3.949964 56.73214 2.482650 2.101276 
4.665379 
1 1 1 9   21  4  o 193.5344 2.956927  7730.023       162.5363 8111.838       
452.5987 7673.491       174.1537 195.9685 5.501082 191.1003 2.170662 4.868149 
5.913855 
1 1 1 9   21  5  o 164.1554 2.576767  5665.434       167.6756 5689.414       
289.7918 5653.366       205.5839 164.3463 4.199980 163.9645 2.986485 0.3817902 
5.153535 
1 1 1 9   21  6  o 173.3563 2.690757  6378.934       185.7955 6154.868       
314.6947 6498.828       230.1982 170.9223 4.385427 175.7903 3.119091 -4.868057 
5.381515 
1 1 1 9   21  7  o 175.5410 4.105074  6552.921       243.3626 6432.940       
536.8853 6583.949       273.0224 174.2005 7.340963 176.8815 3.676520 -2.680954 
8.210149 
1 1 1 9   21  8  o 104.5744 3.083306  2276.438       111.6390 2351.568       
241.2886 2255.973       125.9286 105.5595 5.444530 103.5892 2.895549 1.970284 
6.166612 
1 1 1 9   21  9  o 146.0534 3.960538  4513.558       201.0677 4484.187       
427.8455 4521.883       227.7895 145.5175 7.003138 146.5893 3.701284 -1.071732 
7.921076 
1 1 1 9   21  10 o 210.7375 5.282029  9294.598       351.5919 9603.103       
855.8305 9231.958       385.6372 212.1266 9.609787 209.3485 4.387630 2.778015 
10.56406 
1 1 1 9   21  11 o 38.96571 8.203744  334.6983       129.9869 0.000000       
0.000000 334.6983       129.9869 ?        ?        38.96571 8.203744 ? ? 
1 1 1 9   21  12 o 79.61397 4.327865  1335.250       144.6578 0.000000       
0.000000 1335.250       144.6578 ?        ?        79.61397 4.327865 ? ? 
1 1 1 9   21  13 o 133.0780 4.236949  3700.388       222.6281 3871.407       
391.4630 3618.633       270.6595 135.1726 6.897999 130.9834 4.921845 4.189163 
8.473898 
1 1 1 9   21  14 o 132.3001 3.174001  3592.042       172.3423 3260.813       
217.9280 4145.032       281.5838 124.4110 4.172298 140.1893 4.784250 -15.77831 
6.348001 
1 1 1 9   21  15 o 119.3149 3.251099  3001.400       136.7284 3003.746       
285.8921 3000.705       155.6875 119.1954 5.712990 119.4343 3.104888 
-0.2388229     6.502199 
1 1 1 9   21  16 o 75.95229 2.898457  1152.055       78.97165 1339.926       
166.7749 1097.755       89.66087 79.66331 4.986472 72.24126 2.956233 7.422043 
5.796915 
1 1 1 9   21  17 o 239.2606 5.229208  11827.03       363.3407 12680.36       
987.7349 11693.49       390.7377 242.9589 9.683415 235.5623 3.950942 7.396667 
10.45842 
1 1 1 9   21  18 o 67.25000 2.258956  954.6421       63.54847 865.9874       
90.23402 1041.885       89.51255 64.13428 3.351207 70.36572 3.030009 -6.231445 
4.517913 
1 1 1 9   21  19 o 160.5480 2.158631  5415.422       143.6232 5481.037       
222.2514 5368.374       188.1975 161.3499 3.280928 159.7460 2.806112 1.603958 
4.317262 
1 1 1 9   21  20 o 92.27092 2.239263  1793.836       86.65037 1746.079       
124.4337 1838.796       120.7343 91.07039 3.254482 93.47144 3.076612 -2.401054 
4.478526 
1 1 1 9   21  21 f 188.4338 2.169999  7432.000       164.7327 7615.731       
276.4033 7330.790       205.1481 190.1651 3.462052 186.7026 2.617208 3.462509 
4.339997 
1 1 1 9   21  22 o 158.6862 2.031975  5308.258       134.2072 5215.896       
202.6442 5380.421       179.1207 157.4297 3.065975 159.9428 2.667485 -2.513107 
4.063949 
1 1 1 9   21  23 o 176.6265 2.443016  6577.555       177.3744 6537.935       
280.5539 6603.937       228.9348 176.1217 3.794236 177.1313 3.078488 -1.009598 
4.886033 
1 1 1 9   21  24 o 79.17583 2.429014  1286.647       79.35352 1506.167       
127.4239 1147.580       101.4207 84.53648 3.590276 73.81518 3.272669 10.72131 
4.858029 
1 1 1 9   21  25 o 70.81892 2.576174  1062.535       75.97462 1017.745       
113.5634 1098.823       102.2185 69.43755 3.895516 72.20031 3.372187 -2.762764 
5.152348 
1 1 1 9   21  26 o 32.88022 4.794157  237.4030       63.93530 282.7550       
94.76875 199.5180       86.61653 35.83173 6.542551 29.92871 7.009336 5.903019 
9.588313 
1 1 1 9   21  27 o 71.38351 3.483661  1040.042       89.23815 1167.139       
186.6277 1002.369       101.6065 73.88286 6.016631 68.88417 3.513364 4.998688 
6.967322 
1 1 1 9   21  28 f 31.68954 4.765172  214.5214       63.55965 333.0285       
96.48659 123.6744       84.47924 39.43718 5.827499 23.94191 7.541068 15.49527 
9.530344 
1 1 1 9   21  29 o 27.08642 5.156123  175.8712       65.31210 60.82993       
107.1781 243.8251       82.37335 21.01712 8.278924 33.15572 6.148321 -12.13861 
10.31225 
1 1 1 9   21  30 o 69.88004 3.512891  1033.544       101.5927 1117.181       
159.9734 977.0158       131.5178 72.13065 5.282618 67.62943 4.632015 4.501213 
7.025782 
1 1 1 9   21  31 o 18.32597 5.788404  -36.93658      90.92249 -53.07837      
132.8250 -22.70357      124.7246 18.13446 8.193594 18.51747 8.178477 
-0.3830032     11.57681 
1 1 1 9   21  32 o 34.31815 6.071473  283.2620       88.42375 337.4763       
120.2417 219.4168       130.4856 38.15582 7.775696 30.48047 9.326827 7.675348 
12.14295 
1 1 1 9   21  33 o 24.90367 6.934739  110.6407       108.3091 -30.95020      
208.1082 163.2399       126.8413 22.97598 10.32524 26.83137 9.260235 -3.855385 
13.86948 
1 1 1 9   21  34 o 23.76765 7.066731  36.58731       102.8894 187.7681       
214.5013 -8.591334      117.2595 29.48534 11.68120 18.04996 7.956394 11.43539 
14.13346 
1 1 1 9   21  35 o 30.79131 7.169189  255.9164       113.3889 106.0614       
216.4119 312.6220       133.1247 26.30744 11.18866 35.27517 8.966767 -8.967728 
14.33838 
1 1 1 9   21  36 f 29.93404 7.084957  221.9913       98.21295 278.4609       
180.3093 198.1698       117.1103 31.88092 11.03715 27.98715 8.886381 3.893770 
14.16991 
1 1 1 9   21  37 o 58.48287 6.264114  822.6212       132.1405 971.4341       
259.1244 770.3222       153.6153 59.34402 10.79976 57.62172 6.349936 1.722301 
12.52823 
1 1 1 9   21  38 o 42.20203 7.348916  486.0593       116.0751 569.3550       
243.8389 461.6533       131.9894 40.92584 12.79614 43.47822 7.230833 -2.552380 
14.69783 
1 1 1 9   21  39 o 18.44543 5.993079  -46.96607      118.8297 -444.4199      
235.7237 88.44770       137.5914 15.90477 8.002648 20.98610 8.923319 -5.081330 
11.98616 
1 1 1 9   22  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   22  1  o 121.5207 2.238775  3125.966       104.0176 3065.765       
190.9944 3151.350       124.0240 120.6143 3.771749 122.4270 2.412956 -1.812660 
4.477550 
1 1 1 9   22  2  f 169.7315 2.727284  6059.908       171.7348 6096.614       
333.2939 6046.640       200.3835 169.9232 4.671925 169.5398 2.815214 0.3834076 
5.454568 
1 1 1 9   22  3  f 150.7589 2.526802  4843.250       155.3600 4535.325       
247.0110 5044.790       199.8360 146.6832 4.011040 154.8347 3.074160 -8.151535 
5.053603 
1 1 1 9   22  4  f 99.64523 2.147558  2161.086       83.81749 1878.067       
142.4076 2311.095       103.6777 94.43615 3.591830 104.8543 2.355158 -10.41816 
4.295115 
1 1 1 9   22  5  o 128.3526 2.399764  3514.490       118.5239 3349.564       
213.6174 3587.845       142.4642 126.0750 4.035791 130.6302 2.597664 -4.555229 
4.799528 
1 1 1 9   22  6  o 155.1660 2.688672  5016.683       162.6040 5216.413       
292.7491 4927.573       195.5414 157.2832 4.433373 153.0489 3.043194 4.234283 
5.377344 
1 1 1 9   22  7  o 211.2398 3.777712  9299.409       257.0297 9627.286       
611.2618 9228.983       283.2917 213.0448 6.834038 209.4348 3.221855 3.609970 
7.555423 
1 1 1 9   22  8  o 157.5634 2.827041  5188.699       171.1810 5331.751       
315.1743 5128.843       203.8723 158.9830 4.721950 156.1438 3.109958 2.839127 
5.654082 
1 1 1 9   22  9  o 51.87259 3.050214  517.1216       61.28588 700.6140       
117.0682 447.8493       71.92992 57.62506 4.838923 46.12012 3.714841 11.50494 
6.100428 
1 1 1 9   22  10 o 171.3040 5.171403  6246.485       346.6116 6190.580       
611.6920 6272.926       420.6642 170.3757 8.551579 172.2324 5.817572 -1.856720 
10.34281 
1 1 1 9   22  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   22  12 o 151.4540 4.849365  4957.227       287.5777 4604.849       
498.0559 5133.463       352.2247 147.0358 8.068188 155.8722 5.382352 -8.836395 
9.698730 
1 1 1 9   22  13 o 82.36442 3.424836  1455.454       113.7687 1341.902       
185.0206 1524.490       144.2653 79.67062 5.531500 85.05822 4.039865 -5.387604 
6.849672 
1 1 1 9   22  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   22  15 o 172.4136 4.757683  6175.551       312.6981 6636.232       
589.3488 5995.045       368.9072 176.4068 7.957527 168.4204 5.217274 7.986450 
9.515366 
1 1 1 9   22  16 o 129.1148 3.338305  3262.149       133.2111 3913.464       
345.5047 3148.424       144.3733 135.8882 6.056102 122.3414 2.810829 13.54681 
6.676610 
1 1 1 9   22  17 o 149.1751 2.502929  4665.375       155.3289 4843.895       
238.0850 4533.080       204.9554 151.6187 3.740247 146.7314 3.327034 4.887299 
5.005857 
1 1 1 9   22  18 o 132.5337 2.037592  3644.245       110.5297 3920.781       
180.1485 3477.301       139.9717 136.4809 3.143980 128.5865 2.592782 7.894440 
4.075184 
1 1 1 9   22  19 o 95.59029 3.163253  1778.479       99.95705 2179.799       
239.0493 1693.442       110.0387 101.4675 5.611535 89.71310 2.921533 11.75439 
6.326506 
1 1 1 9   22  20 o 133.9750 2.091605  3797.099       115.8400 3654.422       
178.4280 3901.051       152.3017 131.7580 3.225573 136.1920 2.663630 -4.433990 
4.183210 
1 1 1 9   22  21 o 29.09320 4.693997  183.9322       56.08935 226.4230       
84.17361 149.9970       75.22346 32.10084 6.472678 26.08557 6.799918 6.015276 
9.387995 
1 1 1 9   22  22 o 54.41292 2.777612  618.1483       63.13577 690.8760       
95.15327 560.9462       84.38789 57.24252 3.959370 51.58332 3.896655 5.659199 
5.555225 
1 1 1 9   22  23 o 82.35698 2.278068  1438.302       78.19662 1311.196       
114.2347 1550.376       107.2673 78.89015 3.449026 85.82380 2.977011 -6.933647 
4.556136 
1 1 1 9   22  24 o 124.6449 2.284693  3271.528       119.0438 3292.017       
176.9987 3254.605       160.8624 124.9806 3.373250 124.3092 3.082283 0.6714554 
4.569386 
1 1 1 9   22  25 o 195.1439 3.006662  8064.726       243.8949 7970.395       
370.7445 8136.695       323.8341 194.0315 4.551175 196.2562 3.930250 -2.224747 
6.013323 
1 1 1 9   22  26 o 100.6432 2.432785  2098.374       100.9960 2348.270       
161.7192 1938.592       129.3140 105.4267 3.653691 95.85971 3.213147 9.567001 
4.865571 
1 1 1 9   22  27 o 16.44550 4.949667  1.135243       60.57829 -26.25608      
90.18130 23.65824       81.77549 15.66595 6.932149 17.22504 7.066974 -1.559088 
9.899334 
1 1 1 9   22  28 f 29.91093 4.701396  204.0588       61.27932 96.34932       
88.24972 304.3515       85.15709 22.09106 7.714461 37.73080 5.375834 -15.63974 
9.402792 
1 1 1 9   22  29 o 94.00807 3.281078  1877.982       129.0391 1964.789       
192.2817 1806.852       174.0545 95.93371 4.774059 92.08244 4.502249 3.851273 
6.562156 
1 1 1 9   22  30 o 21.52867 5.933017  20.48051       90.70959 -135.9950      
132.3573 159.0688       124.5627 15.93900 7.514324 27.11834 9.183557 -11.17934 
11.86603 
1 1 1 9   22  31 o 25.09525 6.515101  122.8451       90.36684 149.1447       
132.2790 99.82991       123.7436 26.56564 9.428116 23.62485 8.994265 2.940794 
13.03020 
1 1 1 9   22  32 o 63.49382 4.184125  885.9000       111.2827 835.7328       
159.2619 933.7610       155.5585 61.62182 6.155998 65.36582 5.668449 -3.743999 
8.368251 
1 1 1 9   22  33 o 40.95739 5.651352  415.6209       97.85368 152.9343       
138.0638 680.7745       138.7105 26.43233 9.606779 55.48244 5.954906 -29.05010 
11.30270 
1 1 1 9   22  34 o 44.16936 5.551413  464.2222       99.05729 363.1230       
140.3307 564.6253       139.8468 38.39293 8.876615 49.94580 6.669216 -11.55288 
11.10283 
1 1 1 9   22  35 o 48.04768 6.873677  565.6064       119.3209 626.8876       
238.5744 545.1640       137.7928 47.33502 11.98679 48.76034 6.731020 -1.425320 
13.74735 
1 1 1 9   22  36 o 65.69519 5.519579  1003.274       138.5822 1116.626       
258.3503 957.4829       164.2054 66.56509 9.244502 64.82530 6.033423 1.739784 
11.03916 
1 1 1 9   22  37 o 19.95079 6.141413  28.48240       98.66145 -103.2015      
181.4787 83.73228       117.5506 18.71927 8.817401 21.18231 8.551096 -2.463039 
12.28283 
1 1 1 9   22  38 o 37.40665 7.773095  412.4191       121.4434 487.7623       
234.3484 384.7572       141.9977 37.39423 12.59644 37.41907 9.111183 
-0.2483749E-01 15.54619 
1 1 1 9   22  39 o 36.29835 7.158707  474.5588       127.0206 271.2460       
243.2230 550.8037       148.9455 27.42912 11.76944 45.16758 8.152833 -17.73846 
14.31741 
1 1 1 9   23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   23  1  o 152.7634 2.397297  4753.011       112.4145 5153.320       
287.4056 4680.708       122.1455 156.2786 4.380431 149.2482 1.949348 7.030396 
4.794594 
1 1 1 9   23  2  o 96.58360 2.237030  1986.954       84.49648 1898.171       
147.9851 2029.900       102.9234 94.91418 3.713711 98.25302 2.495109 -3.338844 
4.474060 
1 1 1 9   23  3  o 81.86242 2.166784  1430.394       72.05277 1326.587       
115.4133 1496.694       92.23547 79.36472 3.463772 84.36012 2.604245 -4.995392 
4.333568 
1 1 1 9   23  4  o 43.96746 2.891569  414.1202       50.09763 388.4628       
86.02213 427.2887       61.62704 42.88390 4.777899 45.05102 3.258276 -2.167118 
5.783138 
1 1 1 9   23  5  o 150.0823 2.980716  4814.199       171.8247 4592.681       
310.6544 4911.836       206.2446 147.4116 5.019574 152.7531 3.215983 -5.341476 
5.961432 
1 1 1 9   23  6  o 175.1457 3.022630  6267.099       178.8809 6818.343       
404.5518 6133.129       199.4366 179.5379 5.367092 170.7535 2.781994 8.784409 
6.045260 
1 1 1 9   23  7  o 112.8089 2.418253  2718.388       106.6679 2571.039       
186.3583 2790.185       130.0848 110.4367 4.019355 115.1810 2.690088 -4.744331 
4.836506 
1 1 1 9   23  8  o 19.44544 4.844027  72.32088       50.16812 -0.4214035     
96.57552 99.20502       58.71130 17.48532 7.456568 21.40557 6.185304 -3.920246 
9.688054 
1 1 1 9   23  9  o 100.9418 2.478173  2220.586       98.75821 1908.778       
164.5897 2396.002       123.4508 95.15083 4.120133 106.7328 2.754971 -11.58201 
4.956346 
1 1 1 9   23  10 o 129.7642 3.636631  3581.664       190.8358 3470.708       
312.8178 3647.436       240.8448 128.0310 5.819656 131.4973 4.362560 -3.466293 
7.273261 
1 1 1 9   23  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   23  12 o 114.3959 3.477174  2613.398       152.7590 3140.064       
291.0708 2413.194       179.4600 121.7942 5.692371 106.9976 3.994979 14.79656 
6.954348 
1 1 1 9   23  13 o 116.8055 4.270598  2909.331       198.1203 2835.659       
338.1974 2947.823       244.4582 115.4869 6.975229 118.1241 4.929321 -2.637192 
8.541196 
1 1 1 9   23  14 o 123.9932 3.654919  3270.633       186.0978 3149.564       
292.6239 3352.852       241.1468 121.9563 5.715139 126.0302 4.557512 -4.073959 
7.309838 
1 1 1 9   23  15 o 73.88193 4.131035  1210.958       117.8366 1007.701       
202.5869 1314.887       144.8634 68.82512 7.011090 78.93873 4.371089 -10.11361 
8.262071 
1 1 1 9   23  16 o 61.78101 4.748325  806.2060       123.1613 806.2060       
123.1613 0.000000       0.000000 61.78101 4.748325 ?        ?        ? ? 
1 1 1 9   23  17 f 246.4596 5.594729  12974.82       578.5602 13161.69       
808.2599 12778.45       828.5320 248.3638 7.751465 244.5555 8.069619 3.808334 
11.18946 
1 1 1 9   23  18 o 139.5885 2.159652  4091.321       122.4296 4136.821       
200.9065 4064.443       154.4125 140.1607 3.414199 139.0164 2.645681 1.144333 
4.319304 
1 1 1 9   23  19 o 190.1463 2.615621  7552.936       205.7925 7988.514       
323.1850 7255.874       266.8959 194.6683 3.954368 185.6244 3.424743 9.043930 
5.231242 
1 1 1 9   23  20 o 153.9600 2.250215  4901.931       138.6805 5276.530       
238.6244 4710.880       170.4142 158.2653 3.591288 149.6547 2.712292 8.610550 
4.500431 
1 1 1 9   23  21 o 145.3063 2.069448  4445.490       124.5565 4427.396       
192.3246 4458.563       163.4708 145.0224 3.158791 145.5902 2.674418 
-0.5678101     4.138897 
1 1 1 9   23  22 f 95.02696 2.381843  1841.693       92.21144 2148.859       
154.1827 1670.643       115.0562 100.9721 3.637100 89.08179 3.076396 11.89034 
4.763686 
1 1 1 9   23  23 o 72.14375 2.406754  1099.775       72.60335 1061.047       
106.4665 1133.441       99.26466 70.93858 3.574799 73.34894 3.223457 -2.410362 
4.813509 
1 1 1 9   23  24 o 110.3518 2.161812  2563.845       99.90696 2593.915       
146.9344 2537.990       136.2494 110.9398 3.154695 109.7639 2.956623 1.175858 
4.323624 
1 1 1 9   23  25 o 93.51180 2.314106  1844.848       90.80939 1772.229       
127.8386 1918.813       129.0173 91.64709 3.322495 95.37652 3.222014 -3.729431 
4.628212 
1 1 1 9   23  26 o 84.45599 2.286070  1505.421       81.03665 1517.565       
116.1507 1493.904       113.1158 84.78336 3.263115 84.12863 3.202584 0.6547318 
4.572140 
1 1 1 9   23  27 o 81.18484 2.195254  1389.510       74.45365 1413.053       
111.3659 1370.481       100.1169 81.78406 3.243430 80.58564 2.959176 1.198418 
4.390508 
1 1 1 9   23  28 o 57.87004 2.769359  710.6093       66.83574 822.6230       
96.30984 606.5518       92.82639 62.30540 3.681849 53.43468 4.137798 8.870724 
5.538717 
1 1 1 9   23  29 o 84.67294 3.323172  1530.418       116.6613 1544.561       
180.0036 1520.175       153.1891 84.89288 5.050462 84.45299 4.320499 0.4398956 
6.646343 
1 1 1 9   23  30 o 71.52510 3.724653  1104.585       111.6874 1147.997       
156.1362 1059.096       159.8280 73.02805 5.092546 70.02215 5.436740 3.005905 
7.449306 
1 1 1 9   23  31 o 123.8056 3.312222  3297.488       172.0059 3359.820       
249.5014 3241.031       237.4517 124.8697 4.759236 122.7415 4.607921 2.128159 
6.624444 
1 1 1 9   23  32 o 43.01624 5.476046  430.2108       95.73675 384.6777       
140.9196 469.2402       130.4681 40.17823 8.603421 45.85425 6.777129 -5.676018 
10.95209 
1 1 1 9   23  33 o 87.45934 3.309034  1651.627       120.7178 1752.230       
183.3218 1574.604       160.4056 89.67310 4.869371 85.24557 4.481969 4.427536 
6.618068 
1 1 1 9   23  34 o 35.43621 6.475629  314.7922       97.20455 339.6773       
139.6603 291.4106       135.3758 36.85279 9.074828 34.01963 9.240269 2.833160 
12.95126 
1 1 1 9   23  35 o 63.17615 4.142545  895.4521       109.6395 972.4850       
161.0139 828.8559       149.7099 65.71527 5.836040 60.63703 5.880763 5.078243 
8.285090 
1 1 1 9   23  36 o 33.83259 6.081746  292.8372       89.75645 195.4616       
124.4465 398.4099       129.5786 27.56898 9.179271 40.09620 7.980698 -12.52722 
12.16349 
1 1 1 9   23  37 o 22.68253 6.828784  81.33073       117.6577 -91.60688      
229.9262 142.6804       136.9462 20.97971 9.894615 24.38535 9.414124 -3.405638 
13.65757 
1 1 1 9   23  38 o 42.51434 7.388873  599.5214       131.4347 430.8541       
262.8133 655.7759       151.7785 33.41582 13.01229 51.61285 7.004440 -18.19703 
14.77775 
1 1 1 9   23  39 o 23.28699 6.788255  142.3094       119.9072 -87.51865      
236.5259 221.8057       139.1076 19.80454 9.548302 26.76945 9.651505 -6.964907 
13.57651 
1 1 1 9   24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   24  1  o 102.5390 3.520706  2214.812       151.5646 0.000000       
0.000000 2214.812       151.5646 ?        ?        102.5390 3.520706 ? ? 
1 1 1 9   24  2  o 97.71864 2.039806  2031.627       72.62658 1963.440       
143.4758 2055.117       84.21257 96.54784 3.539623 98.88945 2.028374 -2.341606 
4.079612 
1 1 1 9   24  3  o 95.53591 2.142958  1894.789       81.95197 2005.631       
140.5105 1837.645       100.8892 97.59169 3.429392 93.48013 2.570670 4.111557 
4.285916 
1 1 1 9   24  4  f 70.24278 2.280602  1012.971       63.42181 1114.983       
112.2026 965.0751       76.88200 72.74809 3.673689 67.73746 2.703440 5.010628 
4.561204 
1 1 1 9   24  5  o 65.96935 2.476805  921.5271       64.67171 901.6162       
111.3597 931.6598       79.44098 65.39153 4.056279 66.54716 2.843388 -1.155632 
4.953610 
1 1 1 9   24  6  o 91.32001 2.456778  1747.114       88.72498 1783.797       
154.6836 1729.126       108.3145 91.98132 4.005582 90.65871 2.845759 1.322601 
4.913556 
1 1 1 9   24  7  o 176.3506 2.862435  6568.716       211.2214 6410.359       
309.5211 6706.736       288.9618 174.3219 4.229212 178.3793 3.858486 -4.057419 
5.724871 
1 1 1 9   24  8  o 117.6740 2.473889  2929.023       120.8063 2829.645       
183.7102 3004.738       160.3535 115.8752 3.776276 119.4727 3.196913 -3.597466 
4.947779 
1 1 1 9   24  9  o 69.14374 2.795546  1047.464       72.88186 915.5499       
132.6621 1104.489       87.22382 65.83300 4.799814 72.45448 2.867418 -6.621475 
5.591091 
1 1 1 9   24  10 o 96.86582 3.685715  1936.421       138.1522 2108.052       
254.5385 1864.748       164.4883 99.70512 6.080749 94.02652 4.166830 5.678604 
7.371430 
1 1 1 9   24  11 o 88.12197 4.093745  1646.167       151.2368 1665.845       
209.0899 1624.577       219.0174 88.69852 5.614845 87.54542 5.958902 1.153107 
8.187490 
1 1 1 9   24  12 o 127.7123 3.622434  3472.949       191.0529 3303.308       
294.1236 3596.773       251.2846 124.9042 5.608849 130.5204 4.585731 -5.616127 
7.244868 
1 1 1 9   24  13 o 50.41278 4.706896  492.1398       94.79336 716.4416       
168.6706 388.5882       114.6044 58.03944 6.922090 42.78613 6.379982 15.25330 
9.413793 
1 1 1 9   24  14 o 188.4103 5.425149  7623.705       407.1517 7401.665       
689.6516 7742.501       504.4435 185.8005 8.841049 191.0201 6.290056 -5.219559 
10.85030 
1 1 1 9   24  15 o 103.4323 2.984496  2234.779       126.9254 2153.656       
162.4198 2362.031       203.4228 101.0888 3.826986 105.7759 4.580725 -4.687035 
5.968992 
1 1 1 9   24  16 o 101.1188 3.287170  2152.212       139.1420 2076.781       
188.4272 2242.671       206.3440 99.19178 4.524691 103.0459 4.769603 -3.854103 
6.574340 
1 1 1 9   24  17 o 137.0514 4.847456  3967.876       278.9178 0.000000       
0.000000 3967.876       278.9178 ?        ?        137.0514 4.847456 ? ? 
1 1 1 9   24  18 o 67.20999 4.511253  953.4865       127.2946 953.4865       
127.2946 0.000000       0.000000 67.20999 4.511253 ?        ?        ? ? 
1 1 1 9   24  19 o 97.95595 3.167276  2023.934       129.8251 2006.732       
176.2318 2044.348       191.9781 97.52200 4.304302 98.38989 4.647531 
-0.8678970     6.334553 
1 1 1 9   24  20 o 122.3622 2.060657  3141.385       105.4543 3253.360       
157.2388 3049.846       142.1674 124.3277 3.012401 120.3966 2.812591 3.931099 
4.121314 
1 1 1 9   24  21 o 89.73000 2.141965  1692.520       80.58149 1822.390       
116.2081 1572.238       111.8365 93.04520 2.974839 86.41479 3.082594 6.630402 
4.283930 
1 1 1 9   24  22 o 97.02649 2.078589  1978.038       84.57798 1889.624       
116.3587 2077.079       123.1529 94.73400 2.925594 99.31897 2.953477 -4.584969 
4.157177 
1 1 1 9   24  23 o 76.77483 2.310233  1242.647       74.45824 1265.857       
105.5943 1219.694       105.0078 77.48998 3.245758 76.05966 3.288428 1.430321 
4.620466 
1 1 1 9   24  24 o 68.63312 2.428571  994.9199       69.88165 932.2917       
98.60235 1058.124       99.05436 66.45050 3.534354 70.81574 3.331692 -4.365242 
4.857142 
1 1 1 9   24  25 o 38.50768 4.216752  338.4560       61.77926 180.8674       
86.75537 500.5838       87.99596 28.42025 7.247139 48.59511 4.313117 -20.17486 
8.433504 
1 1 1 9   24  26 o 96.89568 2.145487  1980.498       86.99494 1994.999       
128.5202 1968.234       118.1872 97.20259 3.149305 96.58876 2.914505 0.6138306 
4.290974 
1 1 1 9   24  27 o 80.62198 2.418577  1376.794       81.75960 1329.863       
117.2600 1421.195       114.0575 79.26408 3.523665 81.97987 3.313888 -2.715797 
4.837155 
1 1 1 9   24  28 o 80.90121 2.657895  1378.060       88.15643 1439.071       
142.0904 1339.878       112.4063 82.25860 4.114382 79.54382 3.365931 2.714775 
5.315791 
1 1 1 9   24  29 o 64.22044 3.840298  885.4231       103.2500 983.4232       
151.1010 799.5847       141.4149 67.57227 5.326231 60.86862 5.533789 6.703644 
7.680596 
1 1 1 9   24  30 o 81.38683 3.313867  1422.761       113.1986 1388.763       
157.8055 1458.799       162.4704 80.39022 4.675630 82.38345 4.697378 -1.993225 
6.627735 
1 1 1 9   24  31 o 16.97323 5.309354  -52.39759      79.78037 -151.0374      
113.7907 42.96844       111.8864 13.90110 6.682601 20.04537 8.252259 -6.144267 
10.61871 
1 1 1 9   24  32 o 39.64263 5.921255  375.6905       95.52750 345.6012       
136.8411 404.2926       133.4165 37.83038 8.778004 41.45488 7.949320 -3.624500 
11.84251 
1 1 1 9   24  33 o 56.25253 4.209371  716.0483       97.37100 621.5732       
146.2249 791.3158       130.5168 52.47107 6.637773 60.03399 5.178337 -7.562916 
8.418741 
1 1 1 9   24  34 o 35.34249 6.308454  310.9243       97.76427 441.8851       
142.4724 194.3838       134.3996 42.61679 8.257624 28.06819 9.539288 14.54860 
12.61691 
1 1 1 9   24  35 o 21.00522 6.150618  25.78787       95.81030 153.3793       
140.0755 -86.38339      131.3385 25.63305 9.619617 16.37739 7.667032 9.255665 
12.30124 
1 1 1 9   24  36 o 24.69594 6.241577  139.1920       87.36665 55.60278       
123.7927 222.1424       123.3188 20.31799 8.543060 29.07389 9.101936 -8.755903 
12.48315 
1 1 1 9   24  37 o 79.03023 3.959086  1443.475       130.1576 1338.382       
192.1092 1532.650       176.9635 75.80087 6.036637 82.25958 5.124107 -6.458710 
7.918173 
1 1 1 9   24  38 o 57.48913 6.667961  901.4778       134.1665 956.1000       
262.6634 882.1956       156.0613 54.33020 11.84401 60.64806 6.129138 -6.317860 
13.33592 
1 1 1 9   24  39 o 22.37270 7.178325  91.27173       142.1866 112.1765       
239.5487 79.90044       176.6755 23.32628 10.69970 21.41912 9.572345 1.907158 
14.35665 
1 1 1 9   25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   25  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   25  2  o 68.70348 2.162425  987.2216       57.72245 1010.785       
104.1458 976.7737       69.34858 69.25468 3.581901 68.15227 2.423697 1.102417 
4.324849 
1 1 1 9   25  3  o 142.9721 2.416588  4287.688       130.1941 4346.037       
246.9416 4265.224       153.2191 143.5370 4.097806 142.4072 2.562726 1.129837 
4.833175 
1 1 1 9   25  4  o 34.20053 3.961087  278.1745       49.00988 191.5987       
85.81184 320.0860       59.70566 29.42495 7.031915 38.97612 3.648698 -9.551176 
7.922173 
1 1 1 9   25  5  o 21.95432 4.880851  89.87267       48.25665 142.1112       
84.97739 65.00822       58.62694 25.57748 7.457750 18.33116 6.298633 7.246321 
9.761702 
1 1 1 9   25  6  o 137.9263 2.872888  4063.959       152.5036 3877.796       
274.7810 4146.828       183.3306 135.4862 4.830729 140.3664 3.110949 -4.880173 
5.745777 
1 1 1 9   25  7  o 101.3577 2.308021  2172.744       95.59730 2118.389       
152.9545 2207.587       122.4632 100.2779 3.633105 102.4376 2.847524 -2.159660 
4.616042 
1 1 1 9   25  8  o 150.7979 3.291863  4816.864       186.6548 4766.341       
352.9964 4836.473       219.9138 150.0508 5.603420 151.5451 3.456462 -1.494308 
6.583726 
1 1 1 9   25  9  o 108.6648 3.065012  2459.414       127.2536 2568.218       
237.5113 2415.605       150.7105 110.2189 5.132738 107.1106 3.351444 3.108284 
6.130023 
1 1 1 9   25  10 o 193.4152 4.875753  8055.645       373.2668 7636.138       
636.4894 8275.550       460.8299 189.0974 8.017274 197.7330 5.551144 -8.635651 
9.751507 
1 1 1 9   25  11 o 75.79567 3.574185  1210.818       107.4657 1224.849       
185.7168 1203.755       131.7670 76.04079 5.817354 75.55055 4.154226 0.4902420 
7.148371 
1 1 1 9   25  12 f 88.68726 3.781104  1676.324       131.1706 1628.774       
230.5215 1699.092       159.5117 87.62370 6.266296 89.75082 4.233263 -2.127113 
7.562208 
1 1 1 9   25  13 o 22.66525 6.142987  53.51270       81.08076 139.9975       
136.8834 6.767694       100.6349 27.17191 9.596084 18.15858 7.672050 9.013323 
12.28597 
1 1 1 9   25  14 o 116.1854 3.935063  2844.192       177.8850 2892.713       
319.3921 2822.373       214.1781 116.7212 6.517715 115.6496 4.411154 1.071671 
7.870126 
1 1 1 9   25  15 o 115.3060 3.213383  2806.197       155.4987 2792.026       
216.6838 2821.246       223.2813 115.0139 4.487426 115.5980 4.600688 
-0.5841827     6.426766 
1 1 1 9   25  16 o 124.7631 3.151031  3242.679       161.2767 3095.309       
205.1212 3481.287       261.0045 121.1601 4.032479 128.3661 4.843046 -7.206078 
6.302062 
1 1 1 9   25  17 o 27.49313 5.943608  160.3462       77.33852 211.8167       
107.8226 105.8046       110.9927 30.92205 8.178461 24.06420 8.626627 6.857847 
11.88722 
1 1 1 9   25  18 o 177.9950 4.288516  6721.614       320.4462 6708.416       
449.9935 6735.193       456.4339 177.8294 6.027314 178.1607 6.102210 
-0.3312836     8.577032 
1 1 1 9   25  19 o 121.2429 4.376047  3103.929       222.7498 0.000000       
0.000000 3103.929       222.7498 ?        ?        121.2429 4.376047 ? ? 
1 1 1 9   25  20 o 180.6408 4.834860  6895.918       354.4169 6724.213       
444.8348 7194.370       586.4681 177.9247 5.955025 183.3569 7.618475 -5.432266 
9.669721 
1 1 1 9   25  21 o 142.9276 2.743187  3941.183       117.9245 3794.081       
126.9581 4865.889       318.3128 134.3129 2.251458 151.5423 5.003123 -17.22943 
5.486374 
1 1 1 9   25  22 f 70.99586 2.458973  1065.613       73.13757 1001.626       
104.4988 1127.051       102.3975 68.88824 3.613162 73.10348 3.336354 -4.215233 
4.917947 
1 1 1 9   25  23 o 61.12049 2.664797  790.3102       68.29016 747.2816       
96.89505 832.7783       96.26180 59.45324 3.881925 62.78775 3.651742 -3.334518 
5.329593 
1 1 1 9   25  24 o 89.08981 2.157087  1675.475       80.55926 1563.314       
113.5506 1789.141       114.3092 86.07244 3.142290 92.10718 2.956029 -6.034737 
4.314174 
1 1 1 9   25  25 o 142.1348 2.438601  4262.736       145.3157 4132.400       
199.2496 4410.837       212.3947 139.8335 3.393963 144.4361 3.502587 -4.602554 
4.877202 
1 1 1 9   25  26 o 57.01603 2.776988  690.6131       65.91019 579.3769       
91.84790 808.7071       94.63682 52.23435 4.188265 61.79771 3.647614 -9.563358 
5.553976 
1 1 1 9   25  27 o 78.75851 2.400283  1307.293       79.13364 1178.872       
108.1693 1455.164       116.0719 74.60463 3.453499 82.91239 3.334484 -8.307762 
4.800567 
1 1 1 9   25  28 o 58.64309 3.742856  729.2278       91.46862 858.5757       
138.6621 629.5847       121.7031 63.19966 5.225935 54.08651 5.359617 9.113148 
7.485712 
1 1 1 9   25  29 o 94.63227 3.553744  1922.485       140.8012 1733.904       
193.7545 2133.517       204.9639 89.67200 5.146548 99.59254 4.901981 -9.920547 
7.107487 
1 1 1 9   25  30 o 84.02972 3.620504  1529.487       127.6475 1505.463       
182.8067 1552.345       178.3185 83.33245 5.225154 84.72698 5.012978 -1.394531 
7.241007 
1 1 1 9   25  31 o 20.50320 5.830983  43.49584       81.32259 -30.74972      
117.1047 112.6511       113.0191 17.41629 7.788083 23.59011 8.680277 -6.173817 
11.66197 
1 1 1 9   25  32 o 50.80202 4.649100  583.4474       97.42666 463.1864       
136.9988 706.4988       138.5790 45.11761 7.232552 56.48644 5.843518 -11.36882 
9.298200 
1 1 1 9   25  33 o 20.22095 6.021127  36.98845       88.72816 -13.22589      
134.8001 75.37526       117.8602 18.96064 8.421779 21.48126 8.607528 -2.520617 
12.04225 
1 1 1 9   25  34 o 40.34669 5.986806  407.7110       99.67048 314.1187       
145.9629 489.4776       136.4302 34.75357 9.660805 45.93981 7.073629 -11.18624 
11.97361 
1 1 1 9   25  35 o 50.55274 4.946594  595.7222       104.0218 707.9354       
152.3754 497.7844       142.3535 55.30623 6.562387 45.79925 7.403393 9.506985 
9.893188 
1 1 1 9   25  36 o 58.26182 4.038219  776.7743       98.48649 714.7296       
139.4289 838.5563       139.1334 55.72521 5.959671 60.79844 5.450798 -5.073227 
8.076439 
1 1 1 9   25  37 o 31.30580 6.901803  282.7487       100.7158 268.1122       
149.0539 295.0458       136.6237 30.29198 10.04589 32.31961 9.466762 -2.027622 
13.80361 
1 1 1 9   25  38 o 23.37614 6.462397  137.7764       99.81850 31.18127       
147.2810 228.3363       135.7521 19.33911 8.688738 27.41317 9.568498 -8.074064 
12.92479 
1 1 1 9   26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   26  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   26  2  o 64.68265 2.650194  902.5011       61.61038 845.4186       
123.1110 921.5738       71.16270 63.19285 4.640341 66.17245 2.561512 -2.979595 
5.300387 
1 1 1 9   26  3  o 123.6204 2.278852  3192.891       114.4628 3326.592       
188.9113 3115.333       143.8815 125.5933 3.582717 121.6476 2.817232 3.945732 
4.557703 
1 1 1 9   26  4  o 116.1112 2.397163  2825.847       100.2542 2870.425       
203.9699 2811.648       115.1196 116.5984 4.166723 115.6241 2.371494 0.9742889 
4.794326 
1 1 1 9   26  5  o 24.02706 4.274927  87.33122       46.42356 247.3211       
84.50867 18.18514       55.55701 33.59824 6.224913 14.45588 5.860926 19.14236 
8.549853 
1 1 1 9   26  6  o 128.1343 2.562745  3399.110       121.7854 3590.736       
239.2952 3332.126       141.4784 130.4140 4.370495 125.8545 2.677579 4.559509 
5.125491 
1 1 1 9   26  7  o 128.8819 2.555300  3523.517       135.2444 3382.989       
212.5057 3619.187       175.3377 126.6530 3.996467 131.1109 3.185354 -4.457848 
5.110600 
1 1 1 9   26  8  o 137.1942 2.774874  3972.853       158.1163 3938.690       
241.3936 3998.524       209.2546 136.6318 4.208187 137.7565 3.618129 -1.124634 
5.549747 
1 1 1 9   26  9  o 102.9548 3.203552  2259.342       115.9446 2198.664       
241.5643 2277.504       132.1634 101.8833 5.647428 104.0262 3.026141 -2.142921 
6.407103 
1 1 1 9   26  10 o 32.18731 8.915385  229.1671       124.5275 0.000000       
0.000000 229.1671       124.5275 ?        ?        32.18731 8.915385 ? ? 
1 1 1 9   26  11 f 220.7957 6.014053  10428.83       474.1438 10463.82       
970.8167 10417.86       543.3555 219.8757 10.51674 221.7157 5.837256 -1.839981 
12.02811 
1 1 1 9   26  12 o 97.28138 3.640202  1912.034       131.1800 2193.368       
262.9314 1818.798       151.3641 101.6772 6.159425 92.88559 3.881464 8.791580 
7.280404 
1 1 1 9   26  13 o 171.6153 4.816855  6290.228       319.5229 6194.626       
575.4265 6332.846       384.1975 170.2259 8.051659 173.0048 5.289535 -2.778931 
9.633711 
1 1 1 9   26  14 o 76.95404 3.572807  1250.935       111.2166 1257.160       
183.9153 1247.346       139.6421 77.02995 5.686947 76.87814 4.326479 0.1518173 
7.145613 
1 1 1 9   26  15 o 30.61852 5.379471  209.0137       71.15343 131.9760       
101.3446 283.9048       99.92274 25.28387 8.283565 35.95316 6.865668 -10.66928 
10.75894 
1 1 1 9   26  16 o 127.0129 4.541808  3337.285       205.5236 3604.317       
430.5006 3258.458       233.8997 129.8141 7.899018 124.2117 4.485266 5.602371 
9.083616 
1 1 1 9   26  17 o 55.15457 4.123375  644.0894       94.97015 557.0243       
131.0743 740.3096       137.7936 51.21165 6.096351 59.09748 5.553684 -7.885830 
8.246751 
1 1 1 9   26  18 o 45.92733 4.519762  449.2455       87.01032 480.1803       
123.4503 418.7076       122.6559 47.51933 6.187896 44.33533 6.589608 3.183998 
9.039523 
1 1 1 9   26  19 o 39.19983 5.585935  339.4613       88.61205 313.4724       
120.5046 370.0595       130.7548 37.53125 7.896716 40.86841 7.902692 -3.337162 
11.17187 
1 1 1 9   26  20 f 77.63329 3.397024  1277.021       110.6690 1278.738       
154.2544 1275.201       158.8667 77.69820 4.728764 77.56836 4.878308 0.1298447 
6.794049 
1 1 1 9   26  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   26  22 o 45.48875 4.800703  445.4666       91.40714 466.6700       
126.6124 422.3853       132.1006 46.67008 6.461878 44.30742 7.101487 2.362659 
9.601406 
1 1 1 9   26  23 o 129.7671 3.054507  3443.465       130.5254 3368.360       
144.3427 3780.372       305.7147 126.4186 2.719600 133.1156 5.470268 -6.696976 
6.109014 
1 1 1 9   26  24 o 86.67580 2.151795  1584.865       78.26356 1613.108       
112.8358 1558.680       108.6458 87.41457 3.074569 85.93702 3.011299 1.477547 
4.303591 
1 1 1 9   26  25 o 38.57179 3.715192  318.4528       59.70404 370.0595       
85.72949 269.8511       83.19603 41.65537 4.902080 35.48821 5.583925 6.167156 
7.430384 
1 1 1 9   26  26 o 65.17578 2.598663  902.3338       70.94821 965.7746       
99.94762 837.8975       100.7288 67.51501 3.526088 62.83656 3.818232 4.678448 
5.197326 
1 1 1 9   26  27 o 79.35609 2.236982  1319.106       74.12064 1165.309       
99.29498 1512.650       111.3892 74.18260 3.188205 84.52959 3.138742 -10.34698 
4.473964 
1 1 1 9   26  28 o 41.10468 5.279296  392.7871       86.68287 302.8832       
130.0751 464.6093       116.2610 35.98250 8.694722 46.22687 5.990465 -10.24437 
10.55859 
1 1 1 9   26  29 o 71.31618 3.637462  1103.462       108.4536 994.2941       
153.8107 1211.405       152.9461 67.68443 5.412762 74.94792 4.860712 -7.263496 
7.274923 
1 1 1 9   26  30 o 35.53838 6.084253  304.2455       93.53058 423.1974       
132.4286 185.8537       132.1164 42.74519 7.656401 28.33157 9.457911 14.41361 
12.16851 
1 1 1 9   26  31 o 44.12617 5.480270  453.3601       95.53882 721.6913       
142.8951 236.4472       128.4767 57.10392 5.960359 31.14842 9.198236 25.95550 
10.96054 
1 1 1 9   26  32 o 20.58451 6.079962  27.39005       91.35867 108.8046       
132.2986 -46.82149      126.3106 23.77461 9.237532 17.39440 7.907704 6.380213 
12.15992 
1 1 1 9   26  33 o 33.75947 6.582918  288.8228       96.92483 336.4250       
140.5999 245.7152       133.7978 36.44367 9.186040 31.07527 9.431643 5.368402 
13.16584 
1 1 1 9   26  34 o 46.22255 5.307801  510.4969       99.89858 578.4487       
141.9254 443.7709       140.6393 49.99754 6.761334 42.44756 8.183847 7.549980 
10.61560 
1 1 1 9   26  35 o 62.27061 4.423716  900.1383       113.2972 702.7422       
158.7711 1104.941       161.7225 54.63311 6.922081 69.90810 5.510159 -15.27499 
8.847431 
1 1 1 9   26  36 o 23.34712 6.509578  118.6038       93.90639 164.1914       
142.3138 83.44722       124.9763 25.41018 9.653854 21.28406 8.735075 4.126123 
13.01916 
1 1 1 9   26  37 o 23.90232 6.397691  151.0471       89.51365 118.2405       
133.7234 177.6822       120.4910 22.45206 9.096972 25.35257 8.998161 -2.900509 
12.79538 
1 1 1 9   26  38 o 45.38577 5.355964  543.9456       97.84151 486.3835       
144.8794 592.2101       132.6638 41.80344 8.550115 48.96810 6.452978 -7.164654 
10.71193 
1 1 1 9   27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   27  2  o 61.90677 2.186207  823.6150       53.97495 757.6493       
89.93834 860.7464       67.47710 59.88211 3.577411 63.93143 2.513987 -4.049320 
4.372414 
1 1 1 9   27  3  o 102.6189 2.677717  2215.728       98.45598 2244.359       
201.6020 2206.760       112.8257 102.8734 4.667808 102.3644 2.625309 0.5089951 
5.355434 
1 1 1 9   27  4  o 12.34152 3.979925  -37.63910      44.09411 -46.38775      
73.54101 -32.72860      55.09624 13.17058 5.999871 11.51245 5.230752 1.658131 
7.959851 
1 1 1 9   27  5  o 126.5125 2.430363  3391.263       128.2990 3211.238       
189.1502 3544.666       174.6057 123.3497 3.652497 129.6754 3.207169 -6.325745 
4.860727 
1 1 1 9   27  6  o 43.22070 3.296583  394.8316       54.47489 396.7554       
100.5649 394.0326       64.80638 43.22146 5.542021 43.21994 3.571533 
0.1525879E-02  6.593167 
1 1 1 9   27  7  o 28.86499 4.908043  180.3567       56.87305 202.0488       
95.75876 168.5350       70.69155 30.12805 7.573078 27.60193 6.245320 2.526114 
9.816086 
1 1 1 9   27  8  o 76.97314 2.778048  1194.143       80.61678 1379.096       
157.3364 1128.300       93.87625 80.75111 4.640894 73.19518 3.054881 7.555931 
5.556095 
1 1 1 9   27  9  o 180.0915 4.883348  6978.523       334.2348 6771.653       
616.9378 7064.465       397.6474 177.5627 8.275813 182.6203 5.186448 -5.057632 
9.766695 
1 1 1 9   27  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   27  11 o 66.97282 3.993553  1020.238       100.8366 780.9734       
175.7474 1137.658       123.1179 60.52048 6.916837 73.42516 3.993901 -12.90468 
7.987107 
1 1 1 9   27  12 o 112.7321 3.301477  2734.859       149.8303 2507.635       
244.2442 2871.958       189.7215 108.7851 5.347811 116.6791 3.872974 -7.894043 
6.602955 
1 1 1 9   27  13 o 44.65062 5.520037  433.4577       89.32515 437.5175       
172.3712 431.9672       104.4432 44.16668 9.565746 45.13457 5.511781 
-0.9678917     11.04007 
1 1 1 9   27  14 o 97.56864 2.971030  2011.448       121.6382 2062.930       
170.8863 1958.573       173.1815 98.84639 4.117821 96.29089 4.283880 2.555496 
5.942060 
1 1 1 9   27  15 o 25.04295 5.866280  118.7533       78.08533 198.0928       
107.2125 29.12197       113.9543 29.89412 8.269271 20.19177 8.322989 9.702354 
11.73256 
1 1 1 9   27  16 o 80.38370 3.095082  1362.141       104.2507 1427.439       
153.3566 1306.041       142.1462 82.16056 4.445906 78.60683 4.307210 3.553726 
6.190165 
1 1 1 9   27  17 o 20.25743 5.761371  42.65283       75.15284 56.09276       
106.6460 29.39474       105.9221 20.94570 8.255950 19.56916 8.038213 1.376539 
11.52274 
1 1 1 9   27  18 o 51.41646 3.893294  562.1466       84.01583 570.3505       
117.9283 553.6909       119.7247 51.80727 5.421862 51.02565 5.588771 0.7816238 
7.786588 
1 1 1 9   27  19 o 20.54554 5.964280  33.75717       82.18430 26.55353       
111.2218 42.42081       121.9731 19.80417 8.198112 21.28691 8.664957 -1.482737 
11.92856 
1 1 1 9   27  20 o 81.06190 3.294041  1389.031       111.8805 1316.606       
152.4438 1473.585       164.7135 78.78883 4.608571 83.33498 4.707854 -4.546158 
6.588081 
1 1 1 9   27  21 o 41.33325 5.114130  373.9238       86.65558 410.3980       
124.1154 339.2340       121.0414 43.68975 6.766551 38.97675 7.670144 4.712997 
10.22826 
1 1 1 9   27  22 o 131.7733 3.566816  3703.164       196.9500 3591.744       
284.7426 3805.364       272.7057 129.8015 5.225091 133.7450 4.856660 -3.943542 
7.133633 
1 1 1 9   27  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   27  24 o 100.2296 3.227463  2137.072       135.7540 2066.354       
188.8763 2212.645       195.2529 98.51503 4.566632 101.9441 4.562012 -3.429070 
6.454927 
1 1 1 9   27  25 o 35.13958 4.029708  270.8759       57.55932 310.4220       
81.28992 231.1127       81.51286 38.08096 5.084520 32.19820 6.253147 5.882759 
8.059417 
1 1 1 9   27  26 o 37.56388 3.672853  302.9483       57.87231 321.0532       
82.90077 285.7382       80.82626 38.67238 5.105975 36.45538 5.280949 2.217007 
7.345706 
1 1 1 9   27  27 o 79.06462 2.334840  1340.150       74.49596 1274.640       
122.0274 1379.071       94.05730 77.38402 3.756014 80.74522 2.774577 -3.361198 
4.669681 
1 1 1 9   27  28 o 24.40141 6.365339  108.9809       89.33372 171.2952       
125.9976 45.99076       126.6791 27.60085 9.236300 21.20196 8.761330 6.398888 
12.73068 
1 1 1 9   27  29 o 22.41579 6.025995  61.41278       88.67593 -64.23151      
129.2243 173.2338       121.9086 17.35556 7.918948 27.47602 9.085192 -10.12047 
12.05199 
1 1 1 9   27  30 o 24.58091 6.293809  128.3452       83.44775 128.9335       
112.7194 127.6317       124.1299 24.43942 8.700212 24.72239 9.096949 
-0.2829647     12.58762 
1 1 1 9   27  31 o 59.49796 3.998198  783.1514       99.83692 763.4867       
141.5833 802.5996       140.8014 58.70623 5.744456 60.28968 5.562693 -1.583458 
7.996395 
1 1 1 9   27  32 o 23.31748 6.251549  89.70616       92.67118 -20.79224      
133.2823 193.1207       128.9393 18.57862 8.308218 28.05633 9.343498 -9.477715 
12.50310 
1 1 1 9   27  33 o 16.57773 5.306261  -47.68222      82.21263 -127.8018      
122.4755 18.02582       110.9147 14.80573 7.072528 18.34974 7.912331 -3.544012 
10.61252 
1 1 1 9   27  34 o 29.81209 6.117606  225.3216       86.23704 131.7344       
121.4741 320.4139       122.4469 23.98063 8.966313 35.64355 8.325002 -11.66292 
12.23521 
1 1 1 9   27  35 o 24.88249 6.523047  141.3375       97.86320 38.53658       
143.2218 231.3714       134.0336 20.48285 8.913497 29.28214 9.526288 -8.799286 
13.04609 
1 1 1 9   27  36 o 43.49073 5.910256  489.9725       103.6007 525.5000       
155.5885 461.6734       138.8611 44.68214 8.600936 42.29932 8.108539 2.382816 
11.82051 
1 1 1 9   27  37 o 24.10730 5.924842  143.1561       81.06209 256.6323       
118.3651 42.92267       111.2442 29.92258 8.826504 18.29202 7.906189 11.63056 
11.84968 
1 1 1 9   28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   28  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   28  3  o 93.49612 2.287499  1868.025       83.52050 1785.730       
146.6257 1907.551       101.6175 91.84538 3.802541 95.14686 2.543872 -3.301483 
4.574998 
1 1 1 9   28  4  o 124.9102 3.175683  3173.034       125.8497 3528.429       
310.0273 3102.918       137.7057 128.4847 5.747377 121.3357 2.703239 7.149002 
6.351365 
1 1 1 9   28  5  o 144.8447 2.673186  4513.592       150.5791 4228.001       
264.8529 4649.996       183.0401 141.1882 4.468147 148.5011 2.935874 -7.312988 
5.346372 
1 1 1 9   28  6  o 82.37146 2.492739  1462.350       79.55663 1355.005       
140.4770 1513.035       96.52854 79.99815 4.182601 84.74478 2.713088 -4.746635 
4.985479 
1 1 1 9   28  7  o 79.63187 2.431395  1331.575       75.70351 1357.686       
134.8249 1319.553       91.48679 80.12003 4.008207 79.14370 2.753361 0.9763336 
4.862790 
1 1 1 9   28  8  o 194.3289 3.577916  8040.074       264.5475 7967.650       
490.4132 8069.798       314.1800 193.2356 6.044996 195.4222 3.829356 -2.186554 
7.155833 
1 1 1 9   28  9  o 75.85992 3.549498  1226.460       98.57661 1210.553       
194.0797 1231.991       114.4370 75.32286 6.137258 76.39699 3.567887 -1.074127 
7.098997 
1 1 1 9   28  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   28  11 o 53.44751 4.466690  653.2410       91.02299 491.7858       
154.3943 739.2524       112.6895 47.80854 7.692135 59.08648 4.542724 -11.27794 
8.933380 
1 1 1 9   28  12 o 26.53898 6.146179  149.8583       83.76896 41.58118       
143.3109 206.0537       103.2432 22.70593 9.342171 30.37204 7.989113 -7.666109 
12.29236 
1 1 1 9   28  13 o 31.28988 6.447978  200.5832       85.69469 278.2958       
151.3962 163.9471       103.9498 35.16199 9.860104 27.41776 8.311681 7.744226 
12.89596 
1 1 1 9   28  14 o 128.6664 3.238070  3506.953       174.8881 3585.718       
247.7099 3428.670       246.9501 130.1183 4.534466 127.2146 4.623742 2.903702 
6.476139 
1 1 1 9   28  15 o 66.21953 3.283576  930.0170       91.14860 868.4289       
128.5485 992.2904       129.2616 63.99366 4.784660 68.44540 4.498280 -4.451733 
6.567153 
1 1 1 9   28  16 o 135.4931 3.461025  3898.555       196.7705 3809.179       
280.7545 3984.842       275.8610 133.9359 4.992877 137.0504 4.794366 -3.114471 
6.922049 
1 1 1 9   28  17 o 111.2500 3.120468  2626.921       145.2787 2682.834       
198.9426 2563.036       212.6520 112.5674 4.209556 109.9327 4.607484 2.634735 
6.240935 
1 1 1 9   28  18 o 52.99682 4.210752  600.7073       93.49693 553.9855       
131.5887 648.3432       132.8698 50.88105 6.160042 55.11259 5.742441 -4.231544 
8.421505 
1 1 1 9   28  19 o 156.8797 3.465803  5244.886       227.5895 5054.530       
331.1360 5415.312       313.3224 154.0847 5.118799 159.6747 4.673869 -5.590012 
6.931605 
1 1 1 9   28  20 o 58.32084 3.792864  728.6479       91.72797 873.4736       
131.4766 591.2991       128.0376 64.07060 4.887768 52.57108 5.801120 11.49953 
7.585728 
1 1 1 9   28  21 o 62.06114 3.762527  828.2311       96.06804 1038.261       
138.0895 631.2342       133.7365 69.85535 4.708494 54.26693 5.869968 15.58843 
7.525054 
1 1 1 9   28  22 o 178.5117 4.245230  6809.048       313.1599 6630.904       
406.1175 7070.336       491.8437 175.9838 5.496675 181.0395 6.471050 -5.055679 
8.490460 
1 1 1 9   28  23 o 55.90820 4.076184  671.4666       95.47861 731.5115       
136.9807 614.7288       133.1549 58.37694 5.589063 53.43945 5.934938 4.937485 
8.152369 
1 1 1 9   28  24 o 57.49451 3.951854  709.8680       95.28710 741.4383       
138.7641 681.6987       131.0769 58.69102 5.631531 56.29801 5.545671 2.393013 
7.903709 
1 1 1 9   28  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   28  26 o 88.98075 3.428354  1701.553       128.0375 1648.538       
180.3154 1755.468       181.8389 87.55847 4.905190 90.40303 4.790986 -2.844559 
6.856707 
1 1 1 9   28  27 o 72.84671 3.595500  1146.207       109.9231 1185.525       
157.8363 1109.176       153.1778 74.06252 5.076093 71.63090 5.093503 2.431618 
7.191000 
1 1 1 9   28  28 o 39.68008 5.493467  368.9792       88.85085 284.9029       
128.6027 445.7635       122.8994 34.49675 8.839540 44.86340 6.524972 -10.36665 
10.98693 
1 1 1 9   28  29 o 36.75921 5.781178  313.1388       90.66123 454.1546       
134.2953 195.0559       122.8911 44.87720 7.127809 28.64121 9.103979 16.23599 
11.56236 
1 1 1 9   28  30 o 42.84510 5.514380  439.1353       95.06325 343.8640       
139.2729 522.2409       130.0771 37.42013 8.968523 48.27006 6.418657 -10.84993 
11.02876 
1 1 1 9   28  31 o 32.98067 6.443003  273.1649       92.42965 250.2294       
133.4279 294.3256       128.1616 31.54331 9.387625 34.41804 8.827325 -2.874727 
12.88601 
1 1 1 9   28  32 o 36.37616 6.287206  333.5241       95.31512 342.4612       
136.7889 325.0895       132.8877 36.83844 8.925527 35.91388 8.857246 0.9245682 
12.57441 
1 1 1 9   28  33 o 53.15696 4.616434  652.8277       102.7571 614.2115       
146.9709 689.7567       143.7244 51.40620 6.809838 54.90772 6.234738 -3.501522 
9.232868 
1 1 1 9   28  34 o 40.00902 6.133358  410.7881       99.71861 412.8358       
147.7028 409.0729       135.1753 39.77536 9.046603 40.24267 8.284401 
-0.4673080     12.26672 
1 1 1 9   28  35 o 52.89113 4.858904  670.3538       105.8503 822.6884       
152.3652 528.2490       147.1604 59.39684 6.110033 46.38541 7.556671 13.01143 
9.717808 
1 1 1 9   28  36 o 25.43054 6.749381  175.6546       99.60249 239.9518       
145.5732 119.0603       136.5753 28.33559 9.906847 22.52549 9.169022 5.810101 
13.49876 
1 1 1 9   28  37 o 19.51262 6.081928  42.80602       98.58757 105.4353       
143.5144 -13.15918      135.6643 21.56007 9.138125 17.46518 8.028327 4.094889 
12.16386 
1 1 1 9   29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   29  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   29  3  o 59.33561 2.305727  741.5245       54.69980 755.4390       
93.15475 734.2020       67.57674 59.69042 3.717247 58.98080 2.729026 0.7096138 
4.611454 
1 1 1 9   29  4  o 101.7082 2.525536  2103.594       90.73804 2353.185       
194.1072 2033.802       102.6434 105.1917 4.395227 98.22473 2.489037 6.966942 
5.051072 
1 1 1 9   29  5  o 62.78263 2.660732  799.3543       63.72684 920.4946       
121.8027 753.6956       74.77819 65.81376 4.408198 59.75150 2.980899 6.062263 
5.321463 
1 1 1 9   29  6  o 90.39033 2.483053  1760.982       91.95013 1547.733       
141.2724 1917.721       121.1164 85.46513 3.937218 95.31552 3.026636 -9.850388 
4.966107 
1 1 1 9   29  7  o 54.88254 2.998524  623.7678       64.58528 681.4575       
115.9845 597.8400       77.75578 56.58578 4.882178 53.17930 3.482661 3.406479 
5.997048 
1 1 1 9   29  8  o 120.6491 2.424863  3046.585       113.0080 3150.476       
206.4335 3002.128       135.0396 121.9526 4.031905 119.3456 2.695105 2.606934 
4.849727 
1 1 1 9   29  9  o 150.8903 3.973385  4859.077       217.6701 4867.564       
435.0686 4856.243       251.3961 150.3296 6.893412 151.4509 3.953736 -1.121307 
7.946770 
1 1 1 9   29  10 o 50.25115 5.958394  570.5184       119.0788 624.9113       
156.3537 495.3946       183.7497 53.87305 6.912857 46.62925 9.706815 7.243801 
11.91679 
1 1 1 9   29  11 o 22.21793 5.985843  80.03503       75.48035 47.98861       
132.5691 95.40703       91.81584 22.16931 9.030357 22.26654 7.859639 
-0.9723473E-01 11.97169 
1 1 1 9   29  12 o 27.14906 6.396237  147.8965       81.01036 179.2322       
143.5791 133.2621       98.12021 29.22204 9.859672 25.07608 8.150723 4.145960 
12.79247 
1 1 1 9   29  13 o 65.88904 4.019751  997.6666       101.2318 726.2930       
168.8059 1150.071       126.5033 58.08644 6.922039 73.69164 4.088884 -15.60519 
8.039502 
1 1 1 9   29  14 o 62.52234 3.301216  831.5234       86.50566 796.8903       
124.2178 864.1360       120.5401 61.23046 4.832116 63.81423 4.499196 -2.583771 
6.602432 
1 1 1 9   29  15 o 40.24745 6.191931  386.3132       97.48883 286.2487       
172.1686 433.5385       118.2772 35.52998 10.68199 44.96493 6.265394 -9.434952 
12.38386 
1 1 1 9   29  16 o 28.44696 5.644519  174.2543       75.13656 269.5766       
107.8660 84.40758       104.7220 34.63068 7.624808 22.26324 8.324944 12.36744 
11.28904 
1 1 1 9   29  17 o 38.58288 5.205984  330.6086       81.55474 208.7287       
111.9921 468.2147       118.9981 30.43286 8.463071 46.73290 6.065106 -16.30004 
10.41197 
1 1 1 9   29  18 o 41.49785 5.258981  385.2898       87.88745 274.7076       
123.2065 499.8554       125.4059 34.75373 8.502332 48.24197 6.191760 -13.48824 
10.51796 
1 1 1 9   29  19 o 22.33851 6.162919  72.17281       83.12440 64.01276       
111.8708 82.23151       124.2057 21.51743 8.463868 23.15960 8.960425 -1.642172 
12.32584 
1 1 1 9   29  20 o 69.04422 3.350007  1012.646       96.92558 933.2122       
133.2637 1101.861       141.2298 66.16541 4.797357 71.92303 4.677130 -5.757629 
6.700014 
1 1 1 9   29  21 o 121.6622 3.181405  3153.142       162.3948 3170.848       
226.0156 3134.246       233.4886 122.0494 4.410866 121.2750 4.585804 0.7743683 
6.362809 
1 1 1 9   29  22 o 26.84576 5.685655  139.4761       80.62524 6.602807       
112.9836 277.3456       115.0881 18.85333 8.053341 34.83820 8.028101 -15.98486 
11.37131 
1 1 1 9   29  23 o 28.30378 6.487820  176.9440       87.40651 166.1308       
116.3665 190.9431       132.4034 27.39780 8.874258 29.20975 9.466508 -1.811953 
12.97564 
1 1 1 9   29  24 o 149.8424 3.538496  4820.454       222.4676 4685.212       
308.0896 4967.796       321.5770 147.6729 4.969325 152.0119 5.038814 -4.339066 
7.076993 
1 1 1 9   29  25 f 24.61082 6.291678  121.2290       84.05241 98.70592       
119.8074 143.0594       117.9505 23.40306 8.867501 25.81859 8.927950 -2.415529 
12.58336 
1 1 1 9   29  26 o 72.38240 3.542642  1131.272       107.4091 1149.935       
157.8359 1115.175       146.5860 72.87489 5.158802 71.88990 4.856750 0.9849930 
7.085285 
1 1 1 9   29  27 o 113.3814 5.004392  2787.340       238.2166 2787.340       
238.2166 0.000000       0.000000 113.3814 5.004392 ?        ?        ? ? 
1 1 1 9   29  28 o 60.51958 4.026291  820.9839       99.98177 698.9026       
150.1598 918.2119       134.0062 56.04551 6.381662 64.99366 4.911057 -8.948147 
8.052583 
1 1 1 9   29  29 o 60.56618 3.926951  806.5275       99.63096 845.4180       
146.9645 773.4542       135.5282 61.85709 5.659057 59.27526 5.445995 2.581821 
7.853902 
1 1 1 9   29  30 o 32.38929 6.263588  262.8091       91.00516 178.7570       
131.1302 340.9082       126.4014 27.32927 9.417094 37.44931 8.261263 -10.12004 
12.52718 
1 1 1 9   29  31 o 74.83971 3.735561  1240.108       117.0525 1273.149       
172.8516 1212.121       159.0791 75.63486 5.443428 74.04457 5.117300 1.590286 
7.471122 
1 1 1 9   29  32 o 24.85646 6.585998  141.3084       92.72991 150.7889       
134.3095 132.6729       128.1846 25.38685 9.440801 24.32607 9.185464 1.060778 
13.17200 
1 1 1 9   29  33 o 20.84755 6.195668  50.59773       93.89257 110.7960       
135.3176 -5.294378      130.3879 23.21066 9.251859 18.48444 8.243076 4.726223 
12.39134 
1 1 1 9   29  34 o 20.83301 6.205224  59.06595       94.74524 4.129816       
137.0322 109.3807       131.1418 18.94603 8.449666 22.71998 9.089684 -3.773947 
12.41045 
1 1 1 9   29  35 o 60.36784 4.383001  866.4312       110.2293 765.1161       
157.1281 964.6091       154.6764 56.37234 6.639095 64.36334 5.724091 -7.991005 
8.766003 
1 1 1 9   29  36 o 21.00408 6.148586  68.41743       97.94386 -60.76833      
140.7853 189.5887       136.3483 16.62158 7.810855 25.38658 9.497947 -8.764999 
12.29717 
1 1 1 9   30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   30  3  o 45.84400 3.475256  472.1885       60.62318 397.5586       
107.0350 507.4368       73.55936 42.81465 5.954622 48.87336 3.584981 -6.058704 
6.950512 
1 1 1 9   30  4  o 42.79449 3.687706  393.9114       63.69397 391.7932       
105.4519 395.1281       79.91948 42.56606 5.900815 43.02291 4.424598 
-0.4568596     7.375412 
1 1 1 9   30  5  o 32.36283 4.722944  241.7507       55.07041 210.5512       
109.6956 252.2637       63.67621 30.32788 8.353624 34.39777 4.409283 -4.069891 
9.445889 
1 1 1 9   30  6  o 32.99138 4.647209  216.2610       55.48243 307.6986       
112.9333 187.1702       63.69977 36.88673 7.552807 29.09602 5.416762 7.790712 
9.294418 
1 1 1 9   30  7  o 81.60527 2.592815  1454.091       83.36647 1279.831       
140.3969 1548.996       103.6099 77.56475 4.311359 85.64580 2.881484 -8.081047 
5.185630 
1 1 1 9   30  8  o 84.82076 2.623939  1499.662       86.90179 1592.662       
156.5995 1458.279       104.4622 86.55035 4.309657 83.09117 2.994507 3.459183 
5.247877 
1 1 1 9   30  9  o 84.13496 3.246497  1480.569       106.3229 1577.554       
192.7380 1438.146       127.4734 85.87260 5.346060 82.39732 3.684916 3.475281 
6.492993 
1 1 1 9   30  10 o 69.54566 3.742768  1029.576       95.97875 1042.893       
187.9030 1024.875       111.6413 69.54964 6.435169 69.54169 3.823850 
0.7949829E-02  7.485535 
1 1 1 9   30  11 o 95.47411 3.865330  1895.965       134.5363 2061.816       
272.5947 1842.558       154.6886 97.72733 6.643890 93.22089 3.952448 4.506439 
7.730661 
1 1 1 9   30  12 o 59.77211 4.340637  821.9966       94.18858 653.9041       
176.0263 889.4312       111.4922 54.79828 7.651236 64.74594 4.101596 -9.947659 
8.681273 
1 1 1 9   30  13 o 85.63542 3.568101  1505.997       112.5170 1688.259       
226.2048 1446.077       129.7004 88.64017 6.078444 82.63067 3.738703 6.009499 
7.136202 
1 1 1 9   30  14 f 107.8513 2.731149  2474.653       122.9155 2366.946       
181.7774 2565.385       166.8393 105.6159 4.099508 110.0867 3.609811 -4.470833 
5.462298 
1 1 1 9   30  15 f 86.54624 3.466141  1475.864       114.5244 1895.669       
222.9337 1325.356       133.4844 94.05173 5.645857 79.04075 4.022542 15.01099 
6.932283 
1 1 1 9   30  16 o 90.22668 2.875300  1729.754       108.3766 1747.635       
146.6080 1708.210       160.9257 90.79354 3.846130 89.65981 4.275124 1.133728 
5.750600 
1 1 1 9   30  17 o 66.53030 3.301810  937.2221       91.85686 1062.102       
135.6042 831.3311       124.8692 70.61989 4.573694 62.44070 4.763309 8.179184 
6.603620 
1 1 1 9   30  18 f 73.32468 3.030712  1145.020       93.17303 1201.664       
130.9955 1087.021       132.5514 75.19247 4.149569 71.45689 4.418363 3.735580 
6.061424 
1 1 1 9   30  19 o 25.73867 6.200173  138.2120       80.56451 119.3057       
112.3398 158.2319       115.6010 24.49460 8.688991 26.98274 8.847035 -2.488138 
12.40035 
1 1 1 9   30  20 o 21.68792 5.705058  52.05463       78.97566 -61.31585      
112.7587 161.2209       110.6481 16.36449 7.448020 27.01134 8.643943 -10.64686 
11.41012 
1 1 1 9   30  21 o 87.57738 3.236913  1634.698       118.8366 1530.038       
163.2245 1752.751       173.3531 84.59700 4.595698 90.55776 4.559603 -5.960762 
6.473826 
1 1 1 9   30  22 o 62.19987 3.837120  850.6014       98.16023 974.6437       
133.5424 704.8121       144.7761 67.43376 4.716968 56.96599 6.053442 10.46777 
7.674239 
1 1 1 9   30  23 o 49.16964 4.174194  524.8914       85.85844 466.9741       
118.9434 587.9014       124.0627 46.27772 6.121943 52.06155 5.676035 -5.783833 
8.348388 
1 1 1 9   30  24 o 66.12060 3.522029  943.7846       97.27504 1069.595       
139.6111 825.0791       135.6114 70.49799 4.716984 61.74321 5.231523 8.754776 
7.044059 
1 1 1 9   30  25 o 60.94653 3.737792  805.2929       95.55241 848.0157       
138.5806 766.5739       131.9278 62.48598 5.282517 59.40709 5.289553 3.078892 
7.475585 
1 1 1 9   30  26 o 64.85402 3.761241  917.1182       102.2927 918.3580       
148.2507 915.9918       141.3252 64.83733 5.446190 64.87070 5.189099 
-0.3337097E-01 7.522482 
1 1 1 9   30  27 o 21.18846 6.065595  47.29145       88.20794 -29.33495      
125.8590 121.2634       123.6598 18.04213 8.070783 24.33479 9.056945 -6.292665 
12.13119 
1 1 1 9   30  28 o 69.06409 3.661597  1045.714       105.9965 1050.736       
154.4635 1041.245       145.7215 69.13802 5.321448 68.99015 5.031039 0.1478729 
7.323194 
1 1 1 9   30  29 o 50.01045 6.687361  568.1766       140.4088 568.1766       
140.4088 0.000000       0.000000 50.01045 6.687361 ?        ?        ? ? 
1 1 1 9   30  30 o 26.94136 6.146684  175.3264       88.58627 51.12435       
136.6435 265.3750       116.3491 21.20765 8.949078 32.67507 8.428576 -11.46742 
12.29337 
1 1 1 9   30  31 o 28.83894 6.459671  204.1811       91.46597 295.6855       
134.4286 125.3016       124.8110 33.79972 9.220093 23.87816 9.049821 9.921558 
12.91934 
1 1 1 9   30  32 f 27.94133 6.453039  188.4682       94.60088 308.2079       
137.3749 80.47263       130.4642 34.14275 9.323654 21.73990 8.923920 12.40285 
12.90608 
1 1 1 9   30  33 o 32.82554 6.485020  288.2778       92.99593 260.4208       
129.1251 318.2981       134.0450 31.12016 9.229588 34.53092 9.112446 -3.410759 
12.97004 
1 1 1 9   30  34 o 44.53894 5.562335  504.5004       100.8350 458.5984       
146.2634 546.0777       139.2028 41.62669 8.656391 47.45119 6.987504 -5.824497 
11.12467 
1 1 1 9   30  35 o 15.90555 5.299137  -105.0301      96.10139 -236.4103      
138.8290 15.84640       133.1638 13.39256 6.629506 18.41854 8.268801 -5.025976 
10.59827 
1 1 1 9   30  36 o 22.30767 6.473274  125.0849       98.94642 75.90310       
142.8641 170.4258       137.1721 20.44017 8.898762 24.17517 9.403465 -3.734999 
12.94655 
1 1 1 9   31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   31  3  o 96.78396 3.167449  1874.362       106.7498 2272.877       
236.6152 1772.519       119.6148 102.2085 5.514124 91.35941 3.118550 10.84911 
6.334897 
1 1 1 9   31  4  o 58.57397 3.023138  730.9861       70.95901 748.1494       
120.2573 721.8182       87.89021 58.92722 4.860901 58.22072 3.595705 0.7064934 
6.046276 
1 1 1 9   31  5  o 67.44348 3.169742  980.0704       88.23772 943.7299       
136.4533 1006.188       115.6783 66.22606 4.907678 68.66091 4.012947 -2.434853 
6.339483 
1 1 1 9   31  6  o 18.52894 5.333488  37.56422       64.16550 15.69429       
106.1551 50.15468       80.54489 18.60049 7.870236 18.45739 7.200263 0.1430988 
10.66698 
1 1 1 9   31  7  o 97.95638 2.882103  1952.036       99.47411 2220.411       
214.1347 1878.184       112.3300 101.6729 5.016525 94.23988 2.839110 7.432983 
5.764206 
1 1 1 9   31  8  o 55.81818 3.093539  661.8786       67.36565 673.7679       
120.2616 656.4421       81.32165 56.01202 5.114073 55.62434 3.482269 0.3876801 
6.187078 
1 1 1 9   31  9  o 45.96534 5.549373  455.0743       107.0911 0.000000       
0.000000 455.0743       107.0911 ?        ?        45.96534 5.549373 ? ? 
1 1 1 9   31  10 o 18.00750 5.020728  10.77630       67.56998 -173.9491      
117.5715 101.8824       82.56813 13.88266 6.702716 22.13235 7.476926 -8.249683 
10.04146 
1 1 1 9   31  11 o 55.06599 4.435277  701.4923       91.72845 544.4586       
160.8266 777.2068       111.6737 49.75438 7.699235 60.37761 4.405507 -10.62323 
8.870553 
1 1 1 9   31  12 o 57.72660 4.005692  698.0391       89.16370 766.9992       
165.3322 669.7565       105.8808 59.41768 6.627701 56.03552 4.500648 3.382164 
8.011383 
1 1 1 9   31  13 o 20.82939 5.957548  54.27254       76.90517 -16.36083      
150.4352 79.26334       89.48174 20.71598 9.074161 20.94280 7.721991 
-0.2268238     11.91510 
1 1 1 9   31  14 o 70.90962 2.864820  1053.755       84.57033 1193.073       
130.3310 952.4313       111.1476 74.87730 4.145897 66.94194 3.954784 7.935364 
5.729641 
1 1 1 9   31  15 o 74.50671 2.981732  1183.385       92.94475 1062.139       
130.4753 1308.298       132.4340 70.57996 4.403196 78.43347 4.021788 -7.853508 
5.963465 
1 1 1 9   31  16 o 74.82297 3.088562  1193.793       96.91849 1122.474       
136.0579 1267.259       138.0916 72.52721 4.468317 77.11873 4.265092 -4.591515 
6.177125 
1 1 1 9   31  17 o 75.72438 3.043203  1206.536       95.96442 1352.398       
147.6589 1099.876       126.2666 79.60175 4.418328 71.84702 4.186015 7.754738 
6.086406 
1 1 1 9   31  18 o 90.36258 2.991095  1740.766       113.2217 1753.105       
165.9808 1730.028       154.8386 90.61646 4.362865 90.10871 4.092923 0.5077438 
5.982191 
1 1 1 9   31  19 o 44.96218 4.197457  436.8796       78.45626 524.8414       
114.6712 359.4660       107.5762 49.29582 5.540708 40.62854 6.306755 8.667274 
8.394915 
1 1 1 9   31  20 o 75.85907 3.264369  1244.798       102.9103 1347.473       
140.0784 1124.398       151.6882 79.42427 4.200868 72.29387 4.997713 7.130402 
6.528738 
1 1 1 9   31  21 o 26.16610 6.077613  152.2242       77.09248 150.7243       
106.6339 153.8666       111.5850 26.01354 8.496979 26.31866 8.692000 
-0.3051262     12.15523 
1 1 1 9   31  22 o 52.39063 4.059230  594.4647       88.99933 642.7842       
132.4804 554.7216       120.1493 54.29589 5.811736 50.48538 5.668610 3.810509 
8.118461 
1 1 1 9   31  23 o 78.51920 3.200200  1329.690       105.2117 1427.630       
147.9866 1229.590       149.6103 81.53374 4.323206 75.50466 4.719640 6.029076 
6.400400 
1 1 1 9   31  24 o 66.55333 3.635207  957.6311       101.0960 1096.457       
148.2922 837.0841       138.1851 71.11244 4.966997 61.99421 5.309225 9.118233 
7.270414 
1 1 1 9   31  25 o 28.74632 6.257477  188.9958       85.41888 123.6801       
115.5327 267.7491       126.8616 24.25336 8.790644 33.23928 8.907785 -8.985914 
12.51495 
1 1 1 9   31  26 o 23.80090 5.987385  87.56699       86.73035 224.2584       
124.6403 -40.75043      120.7621 30.34245 9.081978 17.25935 7.804665 13.08310 
11.97477 
1 1 1 9   31  27 o 62.38483 3.919411  850.8227       102.0015 994.3041       
152.8372 735.5903       136.9677 67.14355 5.421829 57.62610 5.661351 9.517445 
7.838821 
1 1 1 9   31  28 f 72.29478 3.807242  1157.456       115.4563 1212.204       
163.4632 1102.953       163.0972 74.09011 5.255097 70.49945 5.510385 3.590660 
7.614485 
1 1 1 9   31  29 o 18.43036 5.804329  -13.37576      91.12716 -10.65961      
130.8117 -15.93667      127.0185 18.63900 8.285768 18.22172 8.130621 0.4172764 
11.60866 
1 1 1 9   31  30 o 35.79342 6.387486  327.8432       96.37403 375.3589       
139.5056 284.4651       133.2934 38.46905 8.821180 33.11778 9.240492 5.351269 
12.77497 
1 1 1 9   31  31 o 23.13315 9.290515  106.4713       137.7502 106.4713       
137.7502 0.000000       0.000000 23.13315 9.290515 ?        ?        ? ? 
1 1 1 9   31  32 o 25.73227 6.633309  165.4613       91.99437 187.9194       
143.6274 149.8387       119.7918 26.82935 9.793779 24.63520 8.949025 2.194149 
13.26662 
1 1 1 9   31  33 o 32.33419 6.603197  293.7941       96.76184 236.2766       
141.6353 344.1346       132.5044 28.91342 9.792705 35.75497 8.860686 -6.841558 
13.20639 
1 1 1 9   31  34 o 19.96860 6.115830  56.55821       94.69553 82.38611       
137.0586 32.96792       130.9870 20.96380 8.909700 18.97339 8.380378 1.990412 
12.23166 
1 1 1 9   31  35 o 27.19162 6.470685  196.9729       92.17571 353.0675       
146.5080 94.70473       118.5871 33.81672 9.770559 20.56651 8.486177 13.25022 
12.94137 
1 1 1 9   32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   32  4  o 33.60181 5.130586  293.5988       65.14657 178.1828       
124.0622 337.5406       76.54999 27.68977 9.165087 39.51385 4.614418 -11.82408 
10.26117 
1 1 1 9   32  5  o 19.64744 5.367769  64.38380       59.59161 52.05493       
109.7262 69.54148       70.97011 20.29537 8.233298 18.99951 6.889454 1.295860 
10.73554 
1 1 1 9   32  6  o 73.22194 3.303065  1134.047       99.15831 1256.354       
161.5296 1060.085       125.6112 76.16634 5.051380 70.27754 4.257288 5.888794 
6.606129 
1 1 1 9   32  7  o 36.88033 5.109866  317.2120       72.48511 282.0006       
125.8852 334.6768       88.65720 34.49771 8.689987 39.26295 5.378387 -4.765244 
10.21973 
1 1 1 9   32  8  o 43.62553 4.128420  357.4530       64.03551 532.0295       
142.9842 313.6534       71.61938 49.02429 6.947010 38.22676 4.462561 10.79753 
8.256840 
1 1 1 9   32  9  o 86.63709 4.473580  1609.903       162.7189 0.000000       
0.000000 1609.903       162.7189 ?        ?        86.63709 4.473580 ? ? 
1 1 1 9   32  10 o 61.67796 3.729198  831.5287       86.96474 798.7039       
161.1017 845.0273       103.3099 60.41345 6.351663 62.94246 3.909484 -2.529011 
7.458396 
1 1 1 9   32  11 o 52.67091 4.209018  640.1826       83.72219 509.5363       
146.5345 703.4998       102.0122 47.97851 7.274685 57.36331 4.235833 -9.384800 
8.418036 
1 1 1 9   32  12 o 53.91926 4.269063  669.0319       86.91600 540.4142       
152.9043 730.4291       105.6436 49.39666 7.372980 58.44185 4.305665 -9.045193 
8.538125 
1 1 1 9   32  13 o 90.81757 3.937087  1917.811       135.1486 1433.959       
231.3607 2168.434       166.5114 80.78052 6.821878 100.8546 3.932505 -20.07410 
7.874174 
1 1 1 9   32  14 o 30.63118 6.799691  200.9082       85.35288 244.8845       
182.9908 188.6805       96.49227 32.63985 11.13093 28.62250 7.813166 4.017347 
13.59938 
1 1 1 9   32  15 o 89.58623 2.839223  1683.415       105.8105 2026.845       
161.3751 1424.424       140.1392 97.49117 3.942686 81.68129 4.086561 15.80988 
5.678447 
1 1 1 9   32  16 o 57.59586 3.587940  721.8837       85.78072 653.4106       
127.1260 779.1216       116.2295 54.92838 5.512629 60.26332 4.593929 -5.334942 
7.175880 
1 1 1 9   32  17 o 86.13411 3.000831  1576.242       108.1322 1746.515       
160.9012 1436.003       146.0231 90.34682 4.241970 81.92139 4.245661 8.425438 
6.001662 
1 1 1 9   32  18 o 59.91241 3.440455  775.5407       86.19993 742.4539       
125.8508 804.7806       118.3087 58.62496 5.113220 61.19986 4.604552 -2.574894 
6.880910 
1 1 1 9   32  19 o 70.58994 3.108157  1070.956       91.92133 1041.752       
133.2173 1097.496       126.9984 69.61172 4.558260 71.56814 4.226681 -1.956413 
6.216315 
1 1 1 9   32  20 o 44.15930 4.586176  430.2758       85.00272 417.4589       
119.7536 443.2907       120.6757 43.47129 6.561563 44.84731 6.409209 -1.376011 
9.172353 
1 1 1 9   32  21 o 19.40495 5.695045  33.43080       76.85184 57.43699       
105.9641 6.790336       111.6267 20.35950 8.160105 18.45041 7.946499 1.909090 
11.39009 
1 1 1 9   32  22 o 45.26850 4.948500  473.7250       87.36608 653.1183       
125.4833 304.9536       121.7117 54.67382 5.466728 35.86317 8.250182 18.81065 
9.897000 
1 1 1 9   32  23 o 66.76089 3.554541  970.1948       99.60677 994.1728       
141.0056 946.3120       140.7253 67.61223 4.967434 65.90955 5.085632 1.702675 
7.109083 
1 1 1 9   32  24 o 18.96099 5.727940  14.33592       81.44755 48.88860       
117.5672 -17.55071      112.9405 20.45313 8.445428 17.46886 7.740279 2.984266 
11.45588 
1 1 1 9   32  25 o 34.22402 5.979387  286.5265       86.15923 332.4309       
120.6052 238.6807       123.1291 37.29155 7.939917 31.15650 8.942594 6.135054 
11.95877 
1 1 1 9   32  26 o 18.05767 5.737288  -31.64070      91.44800 -10.63179      
129.3506 -52.63433      129.3035 18.71550 8.289251 17.39985 7.934367 1.315647 
11.47458 
1 1 1 9   32  27 o 47.62358 4.652362  516.1213       92.95814 542.2684       
133.1639 491.2689       129.8250 48.84770 6.493268 46.39946 6.664484 2.448238 
9.304724 
1 1 1 9   32  28 o 48.43359 4.794675  540.5176       97.46593 537.4958       
139.2379 543.4208       136.4788 48.24064 6.874887 48.62654 6.685175 
-0.3859062     9.589351 
1 1 1 9   32  29 o 26.74453 6.643655  177.5443       92.70557 194.7986       
132.3904 160.9438       129.8573 27.68827 9.467712 25.80080 9.322824 1.887468 
13.28731 
1 1 1 9   32  30 o 31.20142 6.571635  257.2645       95.34836 188.1864       
134.6199 326.8024       135.0671 27.06372 9.520604 35.33913 9.061106 -8.275406 
13.14327 
1 1 1 9   32  31 o 22.82158 6.117397  65.62133       92.42978 241.1882       
139.0135 -73.49817      123.7456 29.71369 9.701645 15.92946 7.454414 13.78423 
12.23479 
1 1 1 9   32  32 f 23.01672 6.251095  87.91599       93.22025 236.8192       
141.3495 -26.69942      124.0120 28.95027 9.782821 17.08317 7.784676 11.86710 
12.50219 
1 1 1 9   32  33 o 41.65637 9.134538  484.8228       155.3899 484.8228       
155.3899 0.000000       0.000000 41.65637 9.134538 ?        ?        ? ? 
1 1 1 9   32  34 o 28.81450 6.684956  246.0670       95.55378 337.1238       
143.6127 173.7346       127.9981 33.13414 9.706048 24.49486 9.194954 8.639284 
13.36991 
1 1 1 9   33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   33  4  o 18.41841 4.614771  45.05847       58.45879 -147.4399      
104.7673 132.0900       70.44503 13.04073 6.302028 23.79609 6.743062 -10.75536 
9.229542 
1 1 1 9   33  5  o 21.59216 5.410856  100.7296       61.86469 45.30566       
112.2221 124.9261       74.14923 19.92728 8.241121 23.25705 7.013798 -3.329769 
10.82171 
1 1 1 9   33  6  o 28.13051 5.749287  180.4166       68.04874 214.0109       
121.1178 164.9207       82.25936 29.74480 8.962772 26.51622 7.203186 3.228582 
11.49857 
1 1 1 9   33  7  o 17.29656 5.326218  -12.82258      75.72846 -97.52123      
120.3327 42.72019       97.44489 15.63802 7.324089 18.95510 7.735122 -3.317073 
10.65244 
1 1 1 9   33  8  o 19.03547 5.433335  41.32938       70.62209 -69.15572      
128.4193 89.22929       84.55625 17.08566 7.835876 20.98528 7.528850 -3.899622 
10.86667 
1 1 1 9   33  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   33  10 o 67.50642 3.528646  955.3925       90.40132 1066.278       
172.6879 913.5333       106.1013 69.68628 5.902494 65.32655 3.868584 4.359726 
7.057292 
1 1 1 9   33  11 o 93.44888 3.779824  1878.620       131.5613 1949.599       
254.3776 1852.702       153.7163 93.87816 6.454096 93.01959 3.936104 0.8585663 
7.559648 
1 1 1 9   33  12 o 28.06605 6.506884  169.8007       81.29456 214.7329       
156.0236 153.0567       95.24487 30.31467 10.27808 25.81743 7.982430 4.497236 
13.01377 
1 1 1 9   33  13 o 61.46716 3.828337  801.2416       89.93149 874.8832       
168.8729 772.0894       106.2511 62.95723 6.389037 59.97708 4.219580 2.980145 
7.656674 
1 1 1 9   33  14 o 105.9959 4.172400  2536.809       165.3215 2283.373       
305.3723 2641.884       196.6288 101.0468 7.198272 110.9450 4.221439 -9.898193 
8.344799 
1 1 1 9   33  15 o 55.28139 3.559625  663.8990       82.27120 597.3401       
116.5198 730.0692       116.1791 52.41939 5.294546 58.14339 4.759361 -5.724003 
7.119251 
1 1 1 9   33  16 o 50.53504 3.842438  551.8244       81.16474 624.8810       
120.9599 491.9907       109.4672 53.57108 5.378138 47.49900 5.489348 6.072075 
7.684876 
1 1 1 9   33  17 o 37.08784 5.237528  324.4352       79.38747 218.3729       
114.4775 422.6963       110.1870 30.32154 8.597117 43.85415 5.984678 -13.53261 
10.47506 
1 1 1 9   33  18 o 37.69358 5.176702  329.2715       78.96004 353.4241       
111.4457 304.9266       111.8883 39.24901 7.016454 36.13815 7.613300 3.110859 
10.35340 
1 1 1 9   33  19 o 89.68524 3.038284  1728.762       113.9871 1692.828       
154.1151 1772.159       169.3663 88.74133 4.136570 90.62914 4.451233 -1.887810 
6.076569 
1 1 1 9   33  20 o 43.06373 4.793917  421.3598       83.99561 479.7560       
119.2879 363.9329       118.2938 46.55353 6.103302 39.57393 7.394339 6.979607 
9.587833 
1 1 1 9   33  21 o 20.45330 5.775660  44.95480       79.46777 120.2976       
113.1834 -28.29750      111.6021 23.90862 8.697347 16.99798 7.601916 6.910641 
11.55132 
1 1 1 9   33  22 o 28.26500 6.090312  191.8548       85.08580 93.08006       
127.3514 271.4969       114.3542 22.94641 9.029064 33.58359 8.175793 -10.63718 
12.18062 
1 1 1 9   33  23 o 35.01841 6.050670  299.6229       88.30054 295.3669       
126.1911 303.7061       123.6009 34.70982 8.674744 35.32700 8.437490 
-0.6171722     12.10134 
1 1 1 9   33  24 o 74.49800 3.089873  1206.814       96.20530 1189.247       
142.2973 1221.605       130.5679 73.87012 4.588270 75.12589 4.139690 -1.255768 
6.179746 
1 1 1 9   33  25 o 24.44510 6.278953  131.8001       83.61474 159.7579       
122.4310 107.3606       114.4684 26.00538 9.085974 22.88482 8.668683 3.120564 
12.55791 
1 1 1 9   33  26 o 63.44163 3.879433  897.2488       103.3103 920.6926       
147.3447 874.5790       144.8920 64.27413 5.460335 62.60912 5.512237 1.665012 
7.758866 
1 1 1 9   33  27 o 54.69750 4.353170  677.2606       99.70264 737.9675       
147.3698 626.0206       135.3921 56.94013 6.164688 52.45487 6.147926 4.485256 
8.706341 
1 1 1 9   33  28 o 26.17235 6.579365  169.8208       91.03547 168.3120       
132.4626 171.1713       125.3212 26.13193 9.418509 26.21277 9.189334 
-0.8083725E-01 13.15873 
1 1 1 9   33  29 o 22.22103 5.914083  68.73263       89.87864 -94.90746      
131.6503 211.5860       123.0048 16.02480 7.537036 28.41726 9.115845 -12.39246 
11.82817 
1 1 1 9   33  30 o 20.98439 6.124411  62.94807       88.03207 134.4083       
135.6319 10.93107       115.7183 23.98616 9.346290 17.98262 7.917103 6.003548 
12.24882 
1 1 1 9   33  31 o 17.79220 5.578684  -10.13113      87.96461 -117.3104      
134.8356 69.28477       116.0654 15.46393 7.395035 20.12046 8.354658 -4.656533 
11.15737 
1 1 1 9   33  32 o 15.42642 5.179142  -87.20583      90.19762 -100.5177      
138.0991 -77.30251      119.1136 15.75971 7.523905 15.09313 7.119332 0.6665859 
10.35828 
1 1 1 9   33  33 o 19.72121 5.962946  61.28490       91.99340 -23.71208      
141.9922 122.7697       120.7666 17.51309 8.113562 21.92932 8.740540 -4.416225 
11.92589 
1 1 1 9   34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   34  4  o 19.15688 5.274151  60.94127       57.26287 85.05061       
103.4774 50.29915       68.74909 21.11821 8.176973 17.19554 6.663616 3.922674 
10.54830 
1 1 1 9   34  5  o 23.69946 5.699933  133.9514       65.20695 67.05862       
139.7201 152.5780       73.72872 22.03318 9.158823 25.36573 6.787701 -3.332542 
11.39987 
1 1 1 9   34  6  o 24.44497 5.834059  126.0223       66.81890 185.4901       
121.0947 99.98985       80.12022 27.58658 9.054813 21.30335 7.359031 6.283224 
11.66812 
1 1 1 9   34  7  o 32.20330 5.297655  291.8842       72.26434 103.6806       
137.4102 363.8363       84.96238 23.67167 9.358401 40.73493 4.967991 -17.06326 
10.59531 
1 1 1 9   34  8  o 20.49130 6.173825  39.70398       87.30083 -18.43984      
171.4186 60.06611       101.4420 21.04762 9.416995 19.93497 7.986529 1.112650 
12.34765 
1 1 1 9   34  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   34  10 o 33.87973 6.195289  290.2892       84.38441 241.2076       
160.1733 309.1454       99.27934 31.17274 10.41387 36.58673 6.714000 -5.413990 
12.39058 
1 1 1 9   34  11 o 63.44947 4.072487  880.4485       100.3605 914.8582       
180.7659 865.1159       120.6662 63.73705 6.755315 63.16190 4.550421 0.5751572 
8.144975 
1 1 1 9   34  12 o 16.61542 5.196388  -24.72019      74.58808 -236.3261      
152.8678 41.39796       85.45004 15.21520 7.413776 18.01564 7.283248 -2.800438 
10.39278 
1 1 1 9   34  13 o 70.61690 3.815655  1042.201       98.48505 1204.263       
200.7974 990.8667       113.0118 73.35497 6.520030 67.87881 3.965615 5.476158 
7.631310 
1 1 1 9   34  14 o 19.50648 5.898772  22.17255       78.12069 40.70094       
147.9664 15.01187       91.98595 21.83382 9.267713 17.17915 7.300106 4.654663 
11.79754 
1 1 1 9   34  15 o 50.02975 3.692422  549.2141       77.28717 504.5691       
110.1982 592.4336       108.4245 47.92105 5.477336 52.13844 4.953252 -4.217396 
7.384844 
1 1 1 9   34  16 o 36.23760 5.207776  306.5053       77.76710 257.8935       
111.3777 352.7501       108.6322 32.78580 8.122908 39.68940 6.519362 -6.903599 
10.41555 
1 1 1 9   34  17 o 89.87736 3.186768  1748.953       119.3897 1765.391       
180.1478 1736.078       159.4292 90.08849 4.763003 89.66623 4.235065 0.4222565 
6.373537 
1 1 1 9   34  18 o 46.21980 4.340089  488.1496       81.61373 401.5782       
123.5828 555.1077       108.6855 42.09051 6.993504 50.34909 5.141634 -8.258575 
8.680178 
1 1 1 9   34  19 o 23.79396 5.952074  123.7704       77.05803 66.03087       
119.9308 164.3666       100.5627 21.26373 8.615241 26.32420 8.215007 -5.060469 
11.90415 
1 1 1 9   34  20 o 20.91526 5.793321  66.95854       77.78230 121.9281       
105.6153 1.806245       114.9822 23.59848 8.419507 18.23203 7.960037 5.366453 
11.58664 
1 1 1 9   34  21 o 22.66513 5.615246  97.95550       75.52467 -15.86804      
113.6064 188.0979       101.1001 17.44368 7.741785 27.88659 8.135645 -10.44291 
11.23049 
1 1 1 9   34  22 o 70.07948 3.429360  1076.521       100.8639 1085.910       
144.7757 1067.666       140.6021 70.34395 4.902187 69.81500 4.796937 0.5289459 
6.858720 
1 1 1 9   34  23 o 52.00080 3.923729  599.8877       85.48374 650.1848       
125.5119 556.3693       116.7478 54.03431 5.532690 49.96729 5.565243 4.067017 
7.847457 
1 1 1 9   34  24 o 68.82930 3.442668  1029.262       98.73684 1171.086       
151.2985 924.0570       130.3103 72.84866 4.946912 64.80994 4.789145 8.038712 
6.885335 
1 1 1 9   34  25 o 50.40208 4.666931  578.5930       97.82019 698.0507       
145.6820 480.5134       132.0044 55.30555 6.274198 45.49863 6.910529 9.806919 
9.333861 
1 1 1 9   34  26 o 21.98304 6.302220  85.59926       90.43575 88.22803       
134.6709 83.44016       122.0495 22.33982 9.101044 21.62625 8.720259 0.7135715 
12.60444 
1 1 1 9   34  27 o 54.57470 4.443401  683.6935       101.4015 728.5942       
151.8091 647.5220       136.2552 56.05071 6.451160 53.09869 6.112100 2.952026 
8.886802 
1 1 1 9   34  28 o 69.53705 3.875992  1092.036       112.7459 973.5035       
154.2620 1227.961       165.1924 65.37113 5.620745 73.70297 5.338583 -8.331841 
7.751983 
1 1 1 9   34  29 o 28.44106 6.514791  208.0929       94.07571 321.3683       
139.5040 113.6152       127.4042 34.18451 9.422511 22.69760 8.999238 11.48692 
13.02958 
1 1 1 9   34  30 o 31.88325 5.891950  249.0169       90.14553 473.6493       
140.4530 91.66523       117.5522 42.69769 8.127831 21.06882 8.532213 21.62887 
11.78390 
1 1 1 9   34  31 o 19.42430 5.909493  40.65680       88.29785 121.1570       
135.3029 -19.05760      116.5328 22.37458 9.119974 16.47402 7.517615 5.900558 
11.81899 
1 1 1 9   34  32 o 27.89927 6.195866  190.5039       92.51828 411.1499       
146.6416 44.59608       119.2473 37.25161 9.376305 18.54694 8.101846 18.70467 
12.39173 
1 1 1 9   35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   35  4  o 93.87630 3.565635  1908.746       140.5309 0.000000       
0.000000 1908.746       140.5309 ?        ?        93.87630 3.565635 ? ? 
1 1 1 9   35  5  o 45.62955 3.938994  446.1055       70.72191 538.2287       
128.3124 405.9081       84.75851 48.39901 6.314705 42.86010 4.710328 5.538906 
7.877988 
1 1 1 9   35  6  o 26.15143 6.052701  170.9387       72.29591 131.0415       
150.9288 182.8189       82.35928 24.82385 9.809834 27.47902 7.092808 -2.655169 
12.10540 
1 1 1 9   35  7  o 31.66298 5.732301  201.9578       75.78713 417.7052       
139.9402 112.4185       90.15228 41.06453 8.406886 22.26143 7.794958 18.80310 
11.46460 
1 1 1 9   35  8  o 36.75024 5.899218  377.7201       88.56654 201.1491       
161.4233 453.7643       105.9351 28.46150 10.38347 45.03898 5.602376 -16.57748 
11.79844 
1 1 1 9   35  9  o 44.20168 10.96567  525.6750       202.7743 525.6750       
202.7743 0.000000       0.000000 44.20168 10.96567 ?        ?        ? ? 
1 1 1 9   35  10 o 23.64371 6.187335  85.79559       80.06911 220.4837       
142.8878 24.14334       96.67299 29.54425 9.835909 17.74317 7.509153 11.80108 
12.37467 
1 1 1 9   35  11 f 68.89668 4.053723  1054.498       108.3589 1071.899       
194.1903 1046.630       130.5783 68.51431 6.750988 69.27907 4.489417 
-0.7647629     8.107447 
1 1 1 9   35  12 o 62.15024 4.014947  837.0894       99.97590 940.0447       
172.5453 785.0556       122.6652 64.48346 6.373469 59.81702 4.884474 4.666439 
8.029894 
1 1 1 9   35  13 o 22.63507 6.147317  92.58195       89.00133 -27.71435      
148.9917 159.3241       110.9777 19.37012 8.718848 25.90001 8.668317 -6.529892 
12.29463 
1 1 1 9   35  14 o 22.98855 6.067635  111.9687       80.50201 4.122945       
156.1717 150.9939       93.94488 20.76773 9.164644 25.20936 7.954500 -4.441633 
12.13527 
1 1 1 9   35  15 o 37.94443 5.043680  337.1823       78.04676 264.3252       
109.0115 413.8014       111.7906 33.00430 7.949999 42.88456 6.209052 -9.880268 
10.08736 
1 1 1 9   35  16 o 35.58083 5.255996  299.8785       75.93871 337.9056       
111.6269 267.1187       103.6080 37.79568 7.295099 33.36597 7.568588 4.429703 
10.51199 
1 1 1 9   35  17 f 93.51135 2.913896  1893.524       114.2482 1868.191       
157.1776 1921.901       166.3554 92.91304 4.029349 94.10966 4.210403 -1.196625 
5.827791 
1 1 1 9   35  18 o 43.49339 4.928713  457.6075       83.41998 323.2543       
124.0312 568.5827       112.7249 36.30183 8.313031 50.68495 5.297391 -14.38311 
9.857426 
1 1 1 9   35  19 o 63.42509 3.447815  881.6222       91.22932 755.3488       
125.5759 1022.755       132.7591 58.48636 5.114141 68.36382 4.625503 -9.877453 
6.895631 
1 1 1 9   35  20 o 56.79973 3.835690  721.1254       90.94046 649.7242       
130.3260 788.8845       126.9585 53.83775 5.765877 59.76171 5.060111 -5.923958 
7.671379 
1 1 1 9   35  21 o 75.24215 3.337539  1246.323       105.0046 1218.552       
154.4417 1270.195       143.1932 74.29150 4.951612 76.19280 4.476407 -1.901306 
6.675079 
1 1 1 9   35  22 o 37.53716 5.507354  343.8255       83.91885 341.6293       
120.9958 345.8611       116.4907 37.29478 7.961687 37.77954 7.611527 
-0.4847603     11.01471 
1 1 1 9   35  23 o 19.84700 5.927671  43.23244       85.16062 20.90088       
125.4436 62.32253       115.9826 19.25378 8.359703 20.44022 8.406219 -1.186445 
11.85534 
1 1 1 9   35  24 o 61.26374 3.740582  840.6987       96.17616 871.5234       
137.1010 810.8328       134.9517 62.41096 5.232400 60.11651 5.346943 2.294456 
7.481164 
1 1 1 9   35  25 o 36.78288 5.941589  344.1824       89.77077 343.9262       
128.0642 344.4299       125.8743 36.71566 8.473860 36.85011 8.330885 
-0.1344566     11.88318 
1 1 1 9   35  26 o 91.99797 3.502378  1877.653       134.4124 1757.890       
178.3534 2035.093       204.4920 88.82372 4.782704 95.17222 5.117846 -6.348495 
7.004756 
1 1 1 9   35  27 o 16.53796 5.450663  -72.22295      93.00462 -26.38167      
133.9068 -114.9460      129.2724 17.81046 8.108898 15.26545 7.285924 2.545009 
10.90133 
1 1 1 9   35  28 o 33.37685 5.507249  271.0997       92.15990 529.4623       
137.3597 59.57680       124.2863 46.70894 7.004552 20.04475 8.500319 26.66419 
11.01450 
1 1 1 9   35  29 o 30.59887 6.551825  263.4834       95.07098 367.6544       
140.7054 175.9751       128.9621 35.99844 9.259019 25.19929 9.272336 10.79916 
13.10365 
1 1 1 9   35  30 o 17.05118 5.490720  -9.823853      87.42756 -53.85430      
134.7670 22.17193       114.8824 16.46061 7.716780 17.64175 7.813024 -1.181143 
10.98144 
1 1 1 9   35  31 o 25.30901 6.512995  192.2801       91.06725 157.3000       
141.3636 217.0953       119.0652 23.58838 9.437209 27.02964 8.978614 -3.441256 
13.02599 
1 1 1 9   36  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   36  5  o 31.63846 5.423697  253.8166       66.92458 247.9842       
124.0773 256.2096       79.47686 30.35983 9.056230 32.91709 5.970818 -2.557259 
10.84739 
1 1 1 9   36  6  o 39.87801 5.226229  357.0145       76.06938 461.0257       
151.4923 321.9477       87.96283 42.14038 8.844743 37.61565 5.569954 4.524723 
10.45246 
1 1 1 9   36  7  o 39.27758 5.025865  323.7398       76.70145 543.1512       
140.6061 230.7877       91.51750 47.92477 6.988197 30.63038 7.225122 17.29439 
10.05173 
1 1 1 9   36  8  o 27.71272 6.544676  181.4747       80.16750 244.1762       
162.9820 161.4625       92.07634 29.92665 10.48064 25.49880 7.841378 4.427843 
13.08935 
1 1 1 9   36  9  o 25.08549 6.993115  103.7213       126.1396 256.3825       
164.4825 -114.2593      196.5460 30.66832 10.54892 19.50267 9.183406 11.16564 
13.98623 
1 1 1 9   36  10 o 50.86525 7.536753  702.1259       155.8228 757.8257       
217.3501 643.2228       223.5126 53.72185 10.00977 48.00864 11.27009 5.713207 
15.07351 
1 1 1 9   36  11 o 22.23727 6.134020  100.5906       80.81180 51.89053       
150.5611 120.2979       95.77703 21.65459 9.274749 22.81996 8.030185 -1.165375 
12.26804 
1 1 1 9   36  12 o 21.24227 5.818483  77.34433       84.00748 -117.9371      
161.0011 150.4012       98.47565 17.59002 8.291203 24.89452 8.165473 -7.304495 
11.63697 
1 1 1 9   36  13 o 23.93567 6.543545  80.85240       86.77852 235.8816       
167.9272 24.36938       101.3615 29.93538 10.62295 17.93596 7.643621 11.99942 
13.08709 
1 1 1 9   36  14 o 41.93071 5.973042  487.1636       94.34980 300.8718       
168.7498 571.8829       113.7988 33.24951 10.67833 50.61192 5.355574 -17.36240 
11.94608 
1 1 1 9   36  15 o 35.43232 6.653007  338.9212       102.2967 257.2900       
165.1973 389.6916       130.2807 31.04583 10.57592 39.81882 8.074641 -8.772989 
13.30601 
1 1 1 9   36  16 o 24.40213 5.986724  141.3761       75.13228 131.8302       
109.9699 149.7323       102.8893 23.89965 8.584881 24.90460 8.346455 -1.004950 
11.97345 
1 1 1 9   36  17 o 28.08658 5.355443  187.5757       77.83801 25.68641       
112.6555 335.4607       107.6726 18.70472 8.017393 37.46845 7.102428 -18.76374 
10.71089 
1 1 1 9   36  18 o 16.21095 4.978925  -87.86502      75.87241 -273.8977      
108.5641 89.74699       106.0786 11.07444 5.537220 21.34746 8.276349 -10.27302 
9.957850 
1 1 1 9   36  19 o 19.72720 5.840228  48.05271       81.27303 36.62689       
119.3486 57.93270       110.9818 19.48920 8.299494 19.96519 8.218969 
-0.4759922     11.68046 
1 1 1 9   36  20 o 45.35254 4.618778  477.3249       87.30282 535.0908       
123.0714 418.8143       123.8620 48.42046 6.054098 42.28463 6.977129 6.135830 
9.237556 
1 1 1 9   36  21 o 32.17371 5.917339  261.0778       80.91624 305.8326       
119.8232 223.5587       109.7101 34.75284 8.312109 29.59458 8.424278 5.158266 
11.83468 
1 1 1 9   36  22 o 35.98091 5.752713  326.6251       84.92928 318.2461       
121.2613 334.6927       118.9873 35.39870 8.295488 36.56313 7.972433 -1.164429 
11.50543 
1 1 1 9   36  23 o 31.02151 5.850710  253.6596       85.07343 126.5955       
124.6572 364.4320       116.3916 23.54434 9.008787 38.49868 7.467596 -14.95434 
11.70142 
1 1 1 9   36  24 o 22.21243 6.296376  98.87434       89.03384 121.3349       
132.6581 80.46439       120.1019 23.35506 9.207194 21.06981 8.590982 2.285250 
12.59275 
1 1 1 9   36  25 o 18.03561 5.644374  -2.676053      86.25999 57.00609       
123.8642 -58.87790      120.1985 20.08555 8.500134 15.98567 7.428562 4.099876 
11.28875 
1 1 1 9   36  26 o 32.17126 6.419270  284.4086       90.94592 326.6315       
131.7106 245.9323       125.7315 34.57642 8.990631 29.76611 9.164968 4.810310 
12.83854 
1 1 1 9   36  27 o 30.20592 6.401785  256.5271       97.51453 123.2242       
137.7259 390.5311       138.0876 22.77454 9.230268 37.63729 8.873195 -14.86275 
12.80357 
1 1 1 9   36  28 o 64.07050 6.244331  1144.637       146.0717 1215.949       
179.0760 1002.848       252.5095 71.23038 5.988157 56.91060 10.95941 14.31979 
12.48866 
1 1 1 9   36  29 o 24.51668 6.024357  114.3721       89.65308 337.8168       
141.0538 -37.07839      116.1275 33.28764 9.576994 15.74572 7.311134 17.54193 
12.04871 
1 1 1 9   37  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   37  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 9   37  5  o 32.21850 5.782782  280.9682       72.41499 283.6588       
141.9738 280.0220       84.18981 30.61362 9.790845 33.82337 6.156431 -3.209747 
11.56556 
1 1 1 9   37  6  o 17.36327 5.093157  29.62443       69.06397 -142.0926      
130.8522 95.93188       81.31219 14.54909 7.033033 20.17744 7.368679 -5.628343 
10.18631 
1 1 1 9   37  7  o 20.02875 6.113923  35.23515       79.57776 132.7099       
167.0970 6.642994       90.49950 24.08501 10.01414 15.97248 7.016930 8.112523 
12.22785 
1 1 1 9   37  8  o 24.88527 6.402719  159.2276       82.38854 132.2301       
164.7066 168.2371       95.14767 24.24642 10.00227 25.52411 7.995864 -1.277691 
12.80544 
1 1 1 9   37  9  o 20.23989 6.482043  -2.927239      119.4663 25.14396       
161.1628 -37.16607      177.9893 20.67645 9.194041 19.80334 9.139865 0.8731098 
12.96409 
1 1 1 9   37  10 o 49.74901 6.511709  758.6328       116.8847 399.0712       
209.6898 920.7147       140.7856 35.70806 11.91532 63.78995 5.256866 -28.08189 
13.02342 
1 1 1 9   37  11 o 44.16548 6.735221  600.3112       115.4043 343.5516       
220.3921 697.3076       135.4598 33.22289 12.13151 55.10808 5.854856 -21.88519 
13.47044 
1 1 1 9   37  12 o 22.91625 6.298143  116.3975       89.24659 0.7273920      
174.7009 157.2437       103.8152 20.81363 9.400863 25.01887 8.383924 -4.205236 
12.59629 
1 1 1 9   37  13 o 32.59510 6.821598  271.0865       91.22983 332.4467       
180.3752 249.9941       105.7537 33.80699 11.05109 31.38322 8.000634 2.423767 
13.64320 
1 1 1 9   37  14 f 22.05227 6.428977  87.74133       88.35577 61.78042       
179.8571 95.99948       101.4399 22.82480 9.960455 21.27973 8.131196 1.545063 
12.85795 
1 1 1 9   37  15 o 19.38375 6.098726  8.168068       98.07706 -26.60371      
164.5540 27.32584       122.1427 19.68056 8.968028 19.08694 8.267545 0.5936127 
12.19745 
1 1 1 9   37  16 o 82.63126 3.118384  1491.319       107.5680 1300.846       
144.7380 1726.326       160.7703 76.71901 4.493664 88.54350 4.324841 -11.82449 
6.236768 
1 1 1 9   37  17 o 26.51593 7.146840  167.0230       106.9348 231.4825       
178.2484 130.7796       133.6586 29.06782 10.86277 23.96404 9.290291 5.103779 
14.29368 
1 1 1 9   37  18 o 30.92686 5.979218  243.4275       82.53744 334.4146       
121.6264 165.7583       112.3731 36.27844 8.180445 25.57529 8.722642 10.70315 
11.95844 
1 1 1 9   37  19 o 20.44809 5.825204  74.07531       77.94056 44.16425       
112.5246 101.6599       108.0601 19.16756 8.106181 21.72861 8.367906 -2.561050 
11.65041 
1 1 1 9   37  20 f 24.14104 6.129539  141.6487       81.15382 94.16150       
117.3156 185.2249       112.3810 21.60500 8.613662 26.67708 8.722948 -5.072079 
12.25908 
1 1 1 9   37  21 o 55.72010 3.952277  708.9544       92.12515 730.3868       
136.8715 691.2027       124.5656 56.32078 5.788490 55.11943 5.382875 1.201347 
7.904553 
1 1 1 9   37  22 o 18.48947 5.726234  5.988446       88.83841 -76.96189      
130.5031 77.62435       121.2766 16.16582 7.581304 20.81311 8.583873 -4.647287 
11.45247 
1 1 1 9   37  23 o 47.09607 4.457108  521.5693       87.85600 566.6116       
130.6231 484.3608       118.7221 48.89081 6.363761 45.30133 6.242257 3.589481 
8.914215 
1 1 1 9   37  24 o 19.54976 5.978049  36.08362       91.44234 -19.79575      
124.2417 102.1322       135.0745 17.12891 7.801856 21.97062 9.059763 -4.841715 
11.95610 
1 1 1 9   37  25 o 23.43857 6.430109  136.7626       96.47169 47.57371       
143.4441 210.4187       130.3562 19.96296 8.799781 26.91418 9.378116 -6.951225 
12.86022 
1 1 1 9   37  26 o 50.71336 4.874517  641.3388       103.5178 703.9216       
150.0686 584.5278       142.9809 53.28340 6.708401 48.14333 7.073967 5.140072 
9.749034 
1 1 1 9   37  27 o 37.02700 6.119861  393.6166       94.36840 322.5781       
137.1934 457.4109       130.0103 32.62212 9.464427 41.43188 7.761149 -8.809765 
12.23972 
1 1 1 9   38  6  o 36.09835 5.470770  315.9422       72.73293 440.5608       
143.8582 273.1485       84.30114 39.15536 8.943544 33.04135 6.303200 6.114010 
10.94154 
1 1 1 9   38  7  o 18.16094 5.624556  36.47419       75.18346 67.97498       
139.0947 23.47217       89.36251 20.11135 8.767989 16.21053 7.047332 3.900820 
11.24911 
1 1 1 9   38  8  o 26.61790 7.970254  194.6802       95.98096 0.000000       
0.000000 194.6802       95.98096 ?        ?        26.61790 7.970254 ? ? 
1 1 1 9   38  9  o 28.77482 7.403539  263.1860       120.3654 179.7391       
172.5044 342.3589       168.0287 25.06421 10.27046 32.48543 10.66617 -7.421227 
14.80708 
1 1 1 9   38  10 o 23.47943 6.538705  143.1798       92.81393 115.0795       
169.1223 155.2905       111.0274 22.94693 9.829102 24.01194 8.625974 -1.065010 
13.07741 
1 1 1 9   38  11 f 23.97631 7.009282  133.5994       103.5917 175.7180       
208.6546 119.8217       119.3383 25.66245 10.95247 22.29017 8.750063 3.372282 
14.01856 
1 1 1 9   38  12 o 22.66088 6.972792  78.26062       107.8535 171.7504       
220.2561 48.77320       123.6985 25.88973 11.15660 19.43204 8.367174 6.457689 
13.94558 
1 1 1 9   38  13 o 20.87592 6.511031  45.00372       96.80529 106.6423       
196.9761 25.37529       111.1552 23.77998 10.40007 17.97186 7.836627 5.808123 
13.02206 
1 1 1 9   38  14 o 35.84698 6.549720  369.7940       96.55448 313.4278       
190.6510 389.2386       111.9769 31.42161 11.30193 40.27235 6.622813 -8.850740 
13.09944 
1 1 1 9   38  15 o 24.64475 6.768781  155.6068       98.59377 132.1493       
173.7441 166.7482       119.7402 24.19637 10.14488 25.09313 8.963644 
-0.8967552     13.53756 
1 1 1 9   38  16 o 22.51282 6.512840  109.9110       96.48807 50.73797       
179.3083 134.0292       114.4752 21.79089 9.693468 23.23475 8.700862 -1.443859 
13.02568 
1 1 1 9   38  17 o 39.56005 5.468257  400.6749       87.44379 415.7867       
120.6446 383.9494       126.9225 40.73458 7.320713 38.38553 8.124931 2.349052 
10.93651 
1 1 1 9   38  18 o 50.65207 4.418059  608.1181       93.93547 597.7625       
131.3310 618.9654       134.4122 50.22960 6.227713 51.07455 6.268379 
-0.8449478     8.836118 
1 1 1 9   38  19 o 24.08677 6.255154  151.6944       87.45595 200.7521       
112.4898 76.73131       139.0538 27.07981 8.720593 21.09374 8.969896 5.986074 
12.51031 
1 1 1 9   38  20 o 19.85371 6.094215  48.59786       88.68744 30.95713       
107.6639 85.83632       156.4255 17.87473 7.752548 21.83268 9.405096 -3.957949 
12.18843 
1 1 1 9   38  21 o 50.18945 4.202437  602.0380       86.75891 477.2352       
122.3741 728.1613       123.0197 44.25185 6.586870 56.12705 5.220638 -11.87521 
8.404875 
1 1 1 9   38  22 o 16.80450 5.366427  -12.32309      83.39072 -97.07394      
131.6167 44.51564       107.7857 15.37132 7.340083 18.23769 7.830538 -2.866365 
10.73285 
1 1 1 9   38  23 o 62.75430 4.290253  955.6126       109.6194 918.2465       
174.1156 980.1487       141.0918 60.62319 6.841004 64.88541 5.179357 -4.262222 
8.580505 
1 1 1 9   38  24 o 24.68837 6.247133  133.4324       93.00249 324.1456       
144.1820 -2.457485      121.7067 32.29504 9.788599 17.08169 7.764665 15.21334 
12.49427 
1 1 1 9   38  25 o 26.69563 6.532124  212.1632       92.43832 283.6488       
132.1978 143.7718       129.3052 30.47648 9.400530 22.91478 9.072189 7.561703 
13.06425 
1 1 1 9   39  11 o 30.13873 7.293087  264.1019       99.23144 403.7780       
202.0212 219.6858       113.9216 32.89845 11.65383 27.37901 8.771807 5.519444 
14.58617 
1 1 1 9   39  12 o 22.11893 6.887008  87.42803       108.2729 199.0261       
218.6083 51.15441       124.6332 25.26115 11.00280 18.97671 8.286246 6.284437 
13.77402 
1 1 1 9   39  13 f 24.24888 7.347963  129.8362       113.7822 309.0330       
240.3166 78.05813       129.1788 28.34005 11.90894 20.15772 8.610884 8.182325 
14.69593 
1 1 1 9   39  14 o 55.91389 5.420096  759.8221       113.3890 960.9276       
223.0931 689.7764       131.6633 58.23127 9.125378 53.59651 5.851261 4.634762 
10.84019 
1 1 1 9   39  15 o 24.59451 6.646573  177.4937       94.68296 141.9942       
176.9431 191.7369       112.0792 23.40765 10.04103 25.78138 8.711228 -2.373732 
13.29315 
1 1 1 9   39  16 o 25.53632 6.737542  194.7218       93.68153 173.8694       
186.3934 201.7696       108.3627 24.53133 10.40667 26.54130 8.560323 -2.009966 
13.47508 
1 1 1 9   39  17 o 22.47921 5.826834  105.0426       84.74048 -34.51943      
119.3991 246.6906       120.2881 16.03166 7.432173 28.92675 8.976122 -12.89509 
11.65367 
1 1 1 9   39  18 o 50.83802 4.449401  632.7968       94.95293 624.5469       
132.9345 641.3903       135.6749 50.52987 6.266293 51.14617 6.318405 
-0.6163025     8.898802 
1 1 1 9   39  19 o 39.70335 5.715613  430.9400       93.38560 507.9885       
130.5850 350.2913       133.6010 44.82975 6.938221 34.57695 9.084823 10.25280 
11.43123 
1 1 1 9   39  20 o 30.51509 6.583352  281.9474       92.01886 290.4877       
129.8644 273.3357       130.4059 31.06473 9.264721 29.96546 9.355589 1.099266 
13.16670 
1 1 1 9   39  21 o 19.57811 6.140976  51.80700       98.04141 52.68274       
123.1691 50.29263       161.9691 18.95743 8.257990 20.19879 9.091311 -1.241364 
12.28195 
1 1 1 10  -30 0  o 28.08281 7.030789  247.6426       105.8787 274.4971       
132.1735 199.5484       176.8813 30.39533 9.404561 25.77028 10.45381 4.625042 
14.06158 
1 1 1 10  -30 1  o 55.22253 5.148671  770.7193       114.9024 741.1268       
144.0519 822.4785       190.5114 55.13285 6.223426 55.31220 8.203916 
-0.1793442     10.29734 
1 1 1 10  -30 2  f 21.29799 6.488857  85.02763       100.7779 44.03674       
124.9741 161.2425       170.4104 18.72555 8.235993 23.87042 10.02943 -5.144865 
12.97771 
1 1 1 10  -29 0  o 52.03884 5.881111  665.2709       119.2008 616.0269       
146.1055 763.2958       206.1380 50.78476 6.852583 53.29292 9.559915 -2.508163 
11.76222 
1 1 1 10  -29 1  o 25.81498 7.064703  177.7980       110.9160 210.1320       
143.9801 130.5992       173.9552 27.40231 9.825083 24.22765 10.15420 3.174660 
14.12941 
1 1 1 10  -29 2  o 30.15591 7.359410  262.3207       108.1556 218.7903       
132.2364 350.2840       187.9771 27.61201 9.462205 32.69980 11.27432 -5.087786 
14.71882 
1 1 1 10  -29 3  o 23.30867 6.791613  117.7978       105.1412 51.74843       
132.1203 231.8647       173.6261 19.53608 8.530991 27.08126 10.57006 -7.545189 
13.58323 
1 1 1 10  -29 4  o 27.00532 7.110838  232.2078       107.6533 238.1628       
138.3682 223.0747       171.3575 27.68616 9.660592 26.32448 10.43691 1.361681 
14.22168 
1 1 1 10  -28 0  o 31.38860 6.537444  239.5834       88.98642 186.6475       
109.6939 341.4695       152.1826 27.14163 8.598621 35.63556 9.849690 -8.493935 
13.07489 
1 1 1 10  -28 1  o 26.86371 6.974770  166.0077       97.90675 123.4517       
118.5248 257.4229       173.7153 23.32788 8.825510 30.39954 10.80278 -7.071655 
13.94954 
1 1 1 10  -28 2  o 98.38109 4.273152  2243.832       172.2810 2293.942       
223.2454 2170.050       270.8935 100.8015 5.275172 95.96069 6.723979 4.840797 
8.546305 
1 1 1 10  -28 3  o 76.39850 4.743098  1385.859       140.8446 1388.355       
171.0843 1380.612       248.1041 78.27590 5.205986 74.52110 7.930046 3.754807 
9.486197 
1 1 1 10  -28 4  o 35.68800 6.381499  341.1830       100.2067 212.1380       
134.0177 504.8061       150.9086 27.54245 9.517343 43.83355 8.503781 -16.29110 
12.76300 
1 1 1 10  -28 5  o 27.05595 5.982107  190.8338       94.09360 350.9578       
127.5441 -0.3848181     139.3790 35.77128 8.588419 18.34062 8.329556 17.43066 
11.96421 
1 1 1 10  -28 6  o 21.38084 6.351872  93.28574       94.07628 57.62753       
119.1309 152.3642       153.3414 19.11562 8.220763 23.64606 9.685255 -4.530439 
12.70374 
1 1 1 10  -28 7  o 18.07936 5.722056  18.81006       91.09946 63.86533       
121.3578 -39.35484      137.8876 19.31131 8.300811 16.84741 7.878088 2.463903 
11.44411 
1 1 1 10  -27 0  o 26.00330 6.309581  162.0863       82.76517 164.9956       
108.7554 158.0827       127.5808 26.10471 8.581089 25.90188 9.252469 0.2028275 
12.61916 
1 1 1 10  -27 1  o 25.11625 6.609761  141.8660       91.13863 133.6749       
115.0865 155.6427       149.2529 24.18770 8.772981 26.04481 9.888910 -1.857105 
13.21952 
1 1 1 10  -27 2  o 18.91349 5.826335  15.74312       86.65113 13.73303       
119.8861 17.94184       125.3852 18.67118 8.140101 19.15579 8.338073 
-0.4846134     11.65267 
1 1 1 10  -27 3  o 20.39074 6.135120  41.23756       91.79881 7.188114       
122.8866 84.22994       138.0846 18.52823 8.157970 22.25324 9.165496 -3.725010 
12.27024 
1 1 1 10  -27 4  o 26.37482 6.733653  175.1336       95.62260 152.7193       
130.1657 201.4110       140.9371 25.06267 9.299248 27.68698 9.741269 -2.624311 
13.46731 
1 1 1 10  -27 5  o 40.79871 5.927562  427.6447       99.44070 472.9543       
135.6706 375.0456       146.1771 44.28341 7.297361 37.31401 9.343045 6.969395 
11.85512 
1 1 1 10  -27 6  o 44.31057 6.166567  547.0070       109.1650 685.0217       
143.6217 358.1801       167.9923 53.86653 6.350709 34.75460 10.57235 19.11193 
12.33313 
1 1 1 10  -27 7  o 22.13265 6.375603  109.2615       92.96776 92.50175       
126.2175 129.1377       137.4524 21.20778 8.753439 23.05752 9.272032 -1.849743 
12.75121 
1 1 1 10  -27 8  o 15.91088 5.343306  -80.40601      96.01780 -52.24434      
124.4266 -121.8641      150.9694 15.91164 7.451413 15.91013 7.660295 
0.1510620E-02  10.68661 
1 1 1 10  -27 9  o 28.42123 6.956225  256.8132       101.7530 280.7680       
141.8573 231.4267       146.0347 29.81310 9.800375 27.02935 9.874660 2.783758 
13.91245 
1 1 1 10  -26 0  o 23.60846 6.199301  112.8427       81.16257 94.66329       
106.4370 138.0994       125.4562 22.08397 8.360888 25.13293 9.155375 -3.048960 
12.39860 
1 1 1 10  -26 1  o 26.04154 6.065804  163.4289       82.81147 220.9155       
103.2812 59.93686       138.5771 30.20334 8.011705 21.87973 9.109801 8.323614 
12.13161 
1 1 1 10  -26 2  o 65.00385 4.117050  960.1708       108.6995 1023.714       
140.5958 865.7493       171.3851 68.29511 4.903472 61.71257 6.614858 6.582539 
8.234099 
1 1 1 10  -26 3  o 37.23619 6.366342  358.8308       98.69231 405.3366       
128.8257 292.7599       153.5515 41.04272 7.759040 33.42965 10.09547 7.613068 
12.73268 
1 1 1 10  -26 4  o 57.45332 4.360796  753.0950       104.0782 776.1487       
139.2238 723.8909       156.6987 58.81331 5.638439 56.09333 6.653884 2.719982 
8.721592 
1 1 1 10  -26 5  o 19.60673 6.137177  6.116102       99.82387 -11.15720      
148.9725 20.19243       134.4816 19.49998 8.750285 19.71347 8.607686 
-0.2134914     12.27435 
1 1 1 10  -26 6  o 91.00238 4.025538  1881.911       143.2157 1887.363       
174.3457 1870.600       251.1302 92.50344 4.489255 89.50131 6.683293 3.002129 
8.051076 
1 1 1 10  -26 7  o 36.59109 6.493280  356.5650       99.78962 382.0764       
142.5388 332.0420       139.7502 38.03598 9.045848 35.14621 9.317907 2.889767 
12.98656 
1 1 1 10  -26 8  o 67.97061 4.251319  1078.903       118.2476 1090.490       
152.3846 1061.368       187.4696 69.23808 5.242242 66.70314 6.694307 2.534943 
8.502638 
1 1 1 10  -26 9  o 21.49907 6.473688  85.04742       100.3811 82.95422       
126.9560 88.53862       163.9585 20.84147 8.701146 22.15667 9.587730 -1.315199 
12.94738 
1 1 1 10  -26 10 o 19.66325 6.086343  43.08369       101.5059 114.9882       
129.4598 -71.66494      163.5425 21.81554 8.911253 17.51096 8.292398 4.304577 
12.17269 
1 1 1 10  -25 0  o 41.99487 5.230194  401.7843       89.36915 326.0402       
122.5934 487.6875       130.5562 37.17682 8.080385 46.81292 6.642823 -9.636101 
10.46039 
1 1 1 10  -25 1  o 23.38013 6.254449  105.5640       84.17915 108.0489       
119.4530 103.1126       118.6457 23.52925 8.872245 23.23102 8.817926 0.2982235 
12.50890 
1 1 1 10  -25 2  o 37.57725 5.895046  318.8577       89.71861 231.1760       
113.7276 463.3521       145.9946 30.93525 8.499094 44.21925 8.171394 -13.28400 
11.79009 
1 1 1 10  -25 3  o 48.37702 4.708967  524.1746       94.95026 499.3531       
125.8272 557.0017       144.7026 47.20816 6.348607 49.54588 6.956484 -2.337719 
9.417933 
1 1 1 10  -25 4  o 70.99469 3.806766  1121.518       112.4727 1240.899       
155.8229 991.6746       162.5083 75.25214 4.932119 66.73724 5.800006 8.514893 
7.613533 
1 1 1 10  -25 5  o 88.02411 3.591512  1727.457       127.2766 1784.126       
160.7758 1632.323       208.3130 90.62859 4.225484 85.41962 5.808711 5.208969 
7.183024 
1 1 1 10  -25 6  o 64.67147 4.410830  950.8554       116.3280 954.9308       
148.6039 944.4056       186.9427 65.45996 5.407238 63.88298 6.970185 1.576977 
8.821660 
1 1 1 10  -25 7  f 38.08697 5.921484  306.5500       97.37627 141.2420       
119.3054 636.4307       168.5355 24.56705 8.930193 51.60689 7.778661 -27.03984 
11.84297 
1 1 1 10  -25 8  o 37.82564 6.520319  368.4934       99.32892 351.4675       
123.2851 399.9921       167.6877 37.47021 8.067773 38.18108 10.24545 
-0.7108688     13.04064 
1 1 1 10  -25 9  o 85.90146 4.446376  1753.453       148.7740 1839.902       
183.4337 1587.273       254.3251 90.80022 4.811863 81.00270 7.478437 9.797523 
8.892753 
1 1 1 10  -25 10 o 60.54212 5.627092  914.3514       132.7618 910.3882       
161.8914 922.4902       231.9926 62.29097 6.190414 58.79328 9.398694 3.497684 
11.25418 
1 1 1 10  -25 11 o 26.16986 6.853829  184.5628       96.25938 147.6968       
119.1268 253.9177       163.3935 23.67417 8.873808 28.66555 10.44775 -4.991381 
13.70766 
1 1 1 10  -25 12 o 49.70838 6.714694  717.9475       131.7983 732.8438       
167.2312 693.5259       214.1249 53.20860 7.486115 46.20815 11.14929 7.000450 
13.42939 
1 1 1 10  -24 0  o 40.41619 5.718558  394.2400       91.74593 460.7137       
117.6421 291.0502       146.5737 45.93049 6.100742 34.90189 9.674118 11.02860 
11.43712 
1 1 1 10  -24 1  o 19.76145 5.889541  -8.797051      87.01577 -88.28582      
114.5923 99.45966       133.7303 15.55736 7.238665 23.96554 9.292389 -8.408181 
11.77908 
1 1 1 10  -24 2  o 38.57353 5.661864  358.9342       86.98632 404.0107       
110.0182 283.7639       142.0733 42.87936 6.111353 34.26769 9.533006 8.611671 
11.32373 
1 1 1 10  -24 3  f 35.21647 6.250312  295.1130       91.84504 268.8120       
122.3052 329.1252       139.0834 33.50391 8.641243 36.92903 9.032969 -3.425121 
12.50062 
1 1 1 10  -24 4  o 114.4066 4.060091  2854.564       183.2437 2803.120       
223.2660 2960.738       320.7492 113.7364 4.675673 115.0769 6.638935 -1.340515 
8.120183 
1 1 1 10  -24 5  o 35.45672 6.280302  304.0477       92.88624 273.2319       
123.4980 344.1863       140.9465 33.47483 8.706580 37.43861 9.053410 -3.963772 
12.56060 
1 1 1 10  -24 6  o 25.10736 5.850677  111.8552       91.72639 272.8488       
121.6231 -100.5090      139.6859 33.32875 8.627026 16.88598 7.905447 16.44277 
11.70135 
1 1 1 10  -24 7  o 25.48131 6.300646  144.1799       90.23873 224.3471       
120.9866 43.66705       135.4721 30.00788 8.940996 20.95474 8.879817 9.053133 
12.60129 
1 1 1 10  -24 8  f 24.19138 6.664802  117.4150       102.8945 176.8962       
125.9899 -1.715384      178.3024 26.87752 9.233648 21.50524 9.613431 5.372274 
13.32960 
1 1 1 10  -24 9  o 60.01510 4.677049  782.0522       109.5648 702.4950       
130.2173 974.9078       202.7425 55.91480 5.547061 64.11539 7.531883 -8.200596 
9.354097 
1 1 1 10  -24 10 o 53.50249 4.699226  632.4194       100.9918 552.7714       
123.2175 795.4385       176.2804 49.16007 5.970089 57.84492 7.258716 -8.684856 
9.398453 
1 1 1 10  -24 11 o 94.36682 4.718064  2100.301       162.0157 2105.854       
188.7487 2084.756       315.7980 97.31246 4.619943 91.42118 8.227798 5.891281 
9.436129 
1 1 1 10  -24 12 o 20.86113 6.540612  41.14061       112.7844 58.38102       
144.6209 14.37966       180.1806 20.82352 9.007636 20.89874 9.485827 
-0.7522774E-01 13.08122 
1 1 1 10  -24 13 o 48.22589 6.116395  632.1193       119.4564 648.8143       
159.5135 610.8000       180.2554 50.37873 7.541736 46.07305 9.631375 4.305679 
12.23279 
1 1 1 10  -24 14 o 45.94642 6.692979  593.5350       114.8039 562.8455       
135.2296 672.7358       217.2406 47.31485 6.807621 44.57799 11.52563 2.736866 
13.38596 
1 1 1 10  -23 0  o 85.57482 3.730095  1605.880       128.6969 1707.929       
164.1573 1443.120       207.3149 89.48401 4.369542 81.66563 6.046614 7.818375 
7.460190 
1 1 1 10  -23 1  o 100.7446 3.424613  2192.889       143.3141 2528.504       
201.4291 1848.828       203.9480 108.7924 4.410062 92.69677 5.240539 16.09562 
6.849226 
1 1 1 10  -23 2  o 43.24528 5.314142  400.3427       92.03931 287.0588       
117.8479 577.5021       147.3737 35.21201 8.130160 51.27855 6.845502 -16.06654 
10.62828 
1 1 1 10  -23 3  o 48.75643 4.728648  529.0251       93.12457 547.4597       
118.1914 498.8443       151.2288 50.22351 5.605311 47.28935 7.617146 2.934158 
9.457295 
1 1 1 10  -23 4  o 38.71676 5.504338  347.5629       86.39202 368.1909       
121.7115 326.6165       122.6474 40.02031 7.520598 37.41320 8.039376 2.607109 
11.00868 
1 1 1 10  -23 5  f 42.25999 5.470376  399.7769       94.13777 326.0761       
123.4553 502.1599       145.5082 37.22962 8.123299 47.29036 7.328850 -10.06074 
10.94075 
1 1 1 10  -23 6  o 20.19180 6.034705  26.24630       88.28245 -3.388080      
120.1962 60.96034       130.0904 18.59369 8.128040 21.78992 8.922198 -3.196224 
12.06941 
1 1 1 10  -23 7  f 36.90991 6.139116  330.3604       93.43703 327.9102       
127.4607 333.2066       137.3754 36.90122 8.411407 36.91859 8.944451 
-0.1737213E-01 12.27823 
1 1 1 10  -23 8  o 38.98270 5.789227  379.1440       91.16747 439.6813       
117.3600 287.0222       144.7737 44.25772 6.316144 33.70768 9.703964 10.55005 
11.57845 
1 1 1 10  -23 9  o 61.85912 4.263061  799.1177       106.6267 635.3238       
131.1956 1117.825       183.0063 53.28534 5.864522 70.43289 6.188872 -17.14755 
8.526122 
1 1 1 10  -23 10 o 23.03630 6.090473  106.4380       89.06911 180.7915       
107.5064 -56.31487      159.0553 27.05603 8.504004 19.01657 8.721087 8.039457 
12.18095 
1 1 1 10  -23 11 o 56.88207 5.128207  623.1921       109.2595 467.9932       
124.7114 1135.656       226.6175 44.98498 6.603281 68.77917 7.847976 -23.79419 
10.25641 
1 1 1 10  -23 12 o 22.19473 6.654876  65.74283       106.7239 26.56425       
140.2726 119.5954       164.4567 20.04551 8.771523 24.34395 10.01049 -4.298437 
13.30975 
1 1 1 10  -23 13 o 20.78913 6.282674  11.81453       101.1172 -93.28468      
131.0708 166.3255       158.9227 15.87214 7.481313 25.70612 10.09544 -9.833979 
12.56535 
1 1 1 10  -23 14 o 42.74719 6.745187  442.4391       107.6096 348.1745       
124.7317 716.8293       212.8073 36.10720 8.382212 49.38718 10.57018 -13.27998 
13.49037 
1 1 1 10  -23 15 o 33.21317 7.088502  318.3753       104.4429 237.9860       
129.1906 470.0399       177.4492 28.13420 9.352601 38.29213 10.65440 -10.15793 
14.17700 
1 1 1 10  -22 0  o 120.3260 3.743488  3115.658       184.9927 3198.071       
240.0007 2995.017       290.3775 122.5454 4.664838 118.1066 5.856117 4.438759 
7.486977 
1 1 1 10  -22 1  o 66.37836 3.867731  954.1741       104.0785 984.3920       
132.4129 905.3251       168.3553 67.96114 4.640777 64.79557 6.188745 3.165573 
7.735463 
1 1 1 10  -22 2  o 36.89127 5.577987  301.4180       87.06818 170.9264       
117.7779 458.6707       129.2919 27.82216 8.919566 45.96037 6.700528 -18.13821 
11.15597 
1 1 1 10  -22 3  o 165.6140 4.534036  6036.056       310.3515 6632.236       
418.9857 5311.301       461.9614 175.3847 5.690214 155.8433 7.060551 19.54137 
9.068071 
1 1 1 10  -22 4  o 131.7666 4.311686  3774.271       238.2279 3911.980       
333.3187 3630.472       340.6098 134.3599 5.908961 129.1733 6.280662 5.186554 
8.623371 
1 1 1 10  -22 5  f 87.69826 3.778193  1642.200       136.1219 1570.372       
173.7607 1756.309       219.0096 85.46859 4.842460 89.92793 5.800824 -4.459335 
7.556386 
1 1 1 10  -22 6  o 52.08818 4.486739  577.7307       96.55597 492.6368       
123.9620 709.0012       153.9653 47.40145 6.228995 56.77491 6.459328 -9.373463 
8.973477 
1 1 1 10  -22 7  o 64.87163 3.804203  916.2894       102.4649 918.2853       
135.4683 913.6208       156.6411 65.12954 4.954282 64.61372 5.774333 0.5158157 
7.608406 
1 1 1 10  -22 8  o 48.32585 4.669650  520.6414       94.50068 520.7890       
129.2607 520.4719       138.5061 48.43697 6.356389 48.21473 6.842430 0.2222443 
9.339300 
1 1 1 10  -22 9  o 32.49446 6.387463  255.8038       90.76300 211.6626       
123.2171 308.1662       134.2018 29.53793 9.068427 35.45099 8.997909 -5.913067 
12.77493 
1 1 1 10  -22 10 o 62.69400 4.130278  876.6530       108.2829 902.7532       
148.3150 846.8610       158.4580 63.87976 5.530227 61.50823 6.136233 2.371529 
8.260555 
1 1 1 10  -22 11 o 31.18152 6.656232  253.3795       101.1847 333.2113       
132.3067 140.9017       157.0462 36.58129 8.724834 25.78174 10.05480 10.79955 
13.31246 
1 1 1 10  -22 12 o 40.50929 6.598351  423.6222       109.1501 439.7020       
143.9248 401.8542       167.4571 42.13653 8.433583 38.88206 10.15025 3.254475 
13.19670 
1 1 1 10  -22 13 o 42.46412 6.173460  435.4218       107.6031 322.8429       
138.6411 605.9698       170.6424 35.06450 9.273829 49.86374 8.151231 -14.79924 
12.34692 
1 1 1 10  -22 14 o 25.45395 6.863363  85.19317       99.28924 -9.482226      
116.6802 333.6925       189.0346 17.38441 7.773886 33.52348 11.31325 -16.13908 
13.72673 
1 1 1 10  -22 15 o 36.63527 6.634675  341.8139       101.1890 244.1199       
125.6625 521.9894       170.6553 29.74890 9.163018 43.52163 9.597642 -13.77273 
13.26935 
1 1 1 10  -22 16 o 16.84338 5.781034  -164.6434      126.4601 -227.0713      
175.0591 -96.51260      182.8804 15.61065 7.687063 18.07612 8.636579 -2.465467 
11.56207 
1 1 1 10  -22 17 o 26.81518 7.435135  236.1427       125.9369 162.3793       
182.8742 302.6787       173.6843 24.00089 10.24876 29.62947 10.77441 -5.628580 
14.87027 
1 1 1 10  -21 0  o 44.83830 5.159097  424.7552       93.51889 357.0344       
119.5839 531.3842       150.0544 40.06005 7.387473 49.61655 7.203497 -9.556496 
10.31819 
1 1 1 10  -21 1  o 56.49355 4.107598  672.6548       94.20127 644.1851       
117.8738 722.9772       156.7136 54.98627 5.106041 58.00082 6.435667 -3.014553 
8.215197 
1 1 1 10  -21 2  o 84.45730 3.583972  1522.844       124.3209 1530.144       
160.3156 1511.831       196.9044 84.85049 4.500312 84.06410 5.579123 0.7863922 
7.167943 
1 1 1 10  -21 3  o 41.96189 5.032335  382.4164       86.35489 337.3775       
115.1221 440.3644       130.5823 38.82650 7.330084 45.09727 6.896917 -6.270767 
10.06467 
1 1 1 10  -21 4  o 77.81111 3.519822  1298.249       112.2231 1315.441       
144.4298 1272.057       178.2761 78.61899 4.375730 77.00323 5.514488 1.615753 
7.039644 
1 1 1 10  -21 5  o 75.75775 3.707296  1191.011       114.4287 1076.183       
142.7710 1397.269       191.3470 70.95290 4.792819 80.56261 5.657300 -9.609718 
7.414591 
1 1 1 10  -21 6  o 21.14477 6.159810  43.02177       87.66186 43.90920       
116.0849 41.84418       133.7229 20.62274 8.433583 21.66680 8.980407 -1.044062 
12.31962 
1 1 1 10  -21 7  o 49.48595 4.540168  539.2693       93.52896 581.3766       
127.9803 491.0023       137.0219 51.73006 5.892795 47.24184 6.908508 4.488224 
9.080337 
1 1 1 10  -21 8  o 46.83445 5.429239  507.7788       101.6620 590.4780       
138.6312 411.5649       149.5303 51.85179 6.368223 41.81711 8.795014 10.03468 
10.85848 
1 1 1 10  -21 9  o 33.71431 5.753505  268.7966       89.64557 412.7142       
124.5250 113.9711       129.1579 43.04758 6.890152 24.38103 9.216132 18.66655 
11.50701 
1 1 1 10  -21 10 o 37.27643 5.770499  343.6818       92.34258 484.6556       
125.8723 179.3854       135.8861 46.67520 6.423401 27.87766 9.588251 18.79755 
11.54100 
1 1 1 10  -21 11 o 31.78849 6.567646  248.3402       92.86768 234.9673       
126.0740 264.2039       137.3142 30.95548 9.102474 32.62149 9.469998 -1.666010 
13.13529 
1 1 1 10  -21 12 o 22.17735 6.663978  22.99584       105.9823 138.9639       
176.6079 -42.27009      132.4903 26.44386 10.56049 17.91084 8.130837 8.533028 
13.32796 
1 1 1 10  -21 13 o 22.42266 6.559361  76.30992       99.89286 95.48653       
127.1428 45.37989       161.4716 22.66545 8.988897 22.17987 9.555133 0.4855824 
13.11872 
1 1 1 10  -21 14 o 38.09476 7.444791  397.7318       133.2278 222.5249       
187.3031 577.1520       189.5418 29.30571 11.09232 46.88381 9.932781 -17.57810 
14.88958 
1 1 1 10  -21 15 o 26.65261 7.562519  167.9368       130.1440 203.4527       
181.0240 129.9415       187.2360 27.98088 10.81919 25.32433 10.56938 2.656548 
15.12504 
1 1 1 10  -21 16 o 19.14815 6.166963  -80.67699      119.7581 -282.4176      
176.2229 92.44884       163.2475 15.37918 7.578059 22.91712 9.731329 -7.537937 
12.33393 
1 1 1 10  -21 17 o 20.90907 6.606211  -0.1796188     128.2919 155.4886       
176.0509 -176.4501      187.3389 24.68927 10.27301 17.12886 8.308635 7.560410 
13.21242 
1 1 1 10  -21 18 o 23.45782 7.008761  131.8637       126.5080 5.189727       
188.1468 236.3923       170.9113 20.01488 9.298277 26.90076 10.48966 -6.885881 
14.01752 
1 1 1 10  -20 0  o 72.20251 3.775506  1082.251       108.6152 1030.182       
132.5770 1188.538       189.4166 69.74580 4.527632 74.65922 6.043041 -4.913414 
7.551013 
1 1 1 10  -20 1  o 39.96931 5.654567  373.1667       92.29438 517.7581       
126.1832 206.8142       135.3459 49.23937 6.103938 30.69926 9.520423 18.54010 
11.30913 
1 1 1 10  -20 2  o 116.0952 4.273464  2932.448       203.7560 3206.827       
270.3357 2571.564       310.0358 122.7533 5.245554 109.4370 6.747900 13.31623 
8.546928 
1 1 1 10  -20 3  o 52.45335 4.538319  574.3932       97.32917 524.5354       
122.3015 660.5063       160.7308 49.52555 5.881979 55.38116 6.912864 -5.855614 
9.076638 
1 1 1 10  -20 4  o 27.51468 6.279597  163.6838       82.69101 175.0840       
112.2469 150.1541       122.2820 28.16920 8.656782 26.86016 9.099092 1.309040 
12.55919 
1 1 1 10  -20 5  o 67.66446 4.076672  979.4037       113.7273 970.9120       
147.3107 991.9323       178.9308 67.43177 5.203443 67.89716 6.277038 
-0.4653854     8.153344 
1 1 1 10  -20 6  o 135.8354 4.339356  3957.318       223.9116 3932.652       
265.1987 4018.555       417.8665 135.8464 4.649908 135.8244 7.327919 
0.2197266E-01  8.678713 
1 1 1 10  -20 7  o 32.99926 6.007074  258.6623       87.93007 344.9906       
117.4462 148.5543       132.6391 39.13000 7.418114 26.86851 9.450468 12.26149 
12.01415 
1 1 1 10  -20 8  o 57.18371 4.243302  693.1679       100.7617 591.4537       
131.8173 836.1437       156.2834 52.24393 6.009768 62.12349 5.992089 -9.879559 
8.486604 
1 1 1 10  -20 9  f 67.59998 3.984105  988.6348       112.6773 970.5803       
152.5329 1010.321       167.1709 67.00000 5.422627 68.19997 5.838449 -1.199966 
7.968210 
1 1 1 10  -20 10 o 39.77960 5.751540  371.0719       93.95879 442.6093       
129.0696 290.4216       137.0442 44.69877 6.877801 34.86044 9.220449 9.838333 
11.50308 
1 1 1 10  -20 11 o 91.54965 3.686761  1832.562       134.7986 1856.388       
167.5694 1788.869       226.9180 92.90911 4.295933 90.19019 5.992812 2.718918 
7.373522 
1 1 1 10  -20 12 f 24.47449 6.945107  99.68085       106.4973 101.4876       
173.2419 98.58337       135.0226 25.31554 10.31936 23.63345 9.297782 1.682096 
13.89021 
1 1 1 10  -20 13 o 53.00621 5.803909  630.2657       125.0089 772.4647       
211.2735 553.6636       155.0663 56.97985 8.831708 49.03258 7.532754 7.947266 
11.60782 
1 1 1 10  -20 14 o 22.42590 6.761178  -7.883922      121.2268 172.1826       
179.0760 -160.2097      164.7053 27.67164 10.74816 17.18016 8.205558 10.49148 
13.52236 
1 1 1 10  -20 15 f 53.09792 7.249171  737.3840       155.8082 728.1732       
217.9837 747.0052       222.7868 52.80816 10.19595 53.38767 10.30750 
-0.5795059     14.49834 
1 1 1 10  -20 16 f 47.99995 6.389883  588.2411       123.9399 564.9434       
170.9359 614.0659       179.9677 47.03187 8.978535 48.96803 9.094411 -1.936161 
12.77977 
1 1 1 10  -20 17 o 20.18517 6.455579  -9.314644      118.0235 -51.35517      
166.2155 33.43634       167.6141 19.02318 8.799835 21.34715 9.447800 -2.323975 
12.91116 
1 1 1 10  -20 18 o 41.59072 7.586984  516.8948       133.1099 512.4014       
199.3371 520.5110       178.8213 40.63940 11.28746 42.54203 10.14113 -1.902630 
15.17397 
1 1 1 10  -20 19 o 22.52058 7.101165  64.42057       149.8513 -170.0950      
240.4455 213.3557       191.6149 18.96869 9.252612 26.07246 10.77476 -7.103762 
14.20233 
1 1 1 10  -19 0  o 150.0600 3.789273  4783.806       228.2785 4812.808       
284.5377 4731.421       382.4082 150.9113 4.490960 149.2086 6.104558 1.702637 
7.578546 
1 1 1 10  -19 1  o 63.99016 4.193679  905.9626       107.6153 1037.406       
140.1989 717.4411       167.9022 70.01319 4.769641 57.96713 6.899153 12.04606 
8.387359 
1 1 1 10  -19 2  o 53.74539 4.518960  630.3904       98.71215 687.0091       
128.4101 548.5977       154.3394 56.88797 5.376501 50.60282 7.264794 6.285152 
9.037919 
1 1 1 10  -19 3  o 131.0554 4.342836  3691.203       219.9142 3736.077       
264.7783 3591.401       394.8690 132.7681 4.750175 129.3427 7.271638 3.425446 
8.685672 
1 1 1 10  -19 4  o 55.80933 4.158680  670.6862       93.38937 687.3070       
117.3720 642.0075       154.1765 56.89622 4.913625 54.72243 6.710794 2.173786 
8.317360 
1 1 1 10  -19 5  o 80.71077 3.597943  1354.988       119.7587 1232.197       
153.0491 1548.900       192.3315 76.16189 4.786457 85.25965 5.373136 -9.097763 
7.195885 
1 1 1 10  -19 6  o 98.91651 3.891252  2101.601       154.0169 2131.472       
191.7271 2047.254       258.6100 100.1761 4.558693 97.65692 6.307589 2.519180 
7.782504 
1 1 1 10  -19 7  o 65.25235 3.948358  913.0259       107.9474 959.4309       
150.8430 864.3148       154.5457 67.00377 5.362250 63.50093 5.796929 3.502842 
7.896715 
1 1 1 10  -19 8  o 24.51487 6.489997  106.4866       89.83815 104.2577       
122.2203 109.1064       132.5024 24.14683 9.000674 24.88290 9.352438 
-0.7360706     12.97999 
1 1 1 10  -19 9  o 132.5505 4.990804  3853.299       265.3722 3902.218       
331.6042 3766.170       442.5504 134.5057 5.872193 130.5952 8.071545 3.910522 
9.981607 
1 1 1 10  -19 10 o 58.26993 4.229558  749.6683       101.3857 844.7838       
136.9370 634.2741       150.8297 62.66191 5.205208 53.87795 6.668018 8.783955 
8.459117 
1 1 1 10  -19 11 o 83.45174 4.951822  1491.368       170.3885 1799.929       
274.4855 1297.929       217.3311 90.10708 7.255739 76.79641 6.740655 13.31067 
9.903645 
1 1 1 10  -19 12 o 46.16050 6.359976  491.5463       116.8996 574.0714       
187.1293 438.7291       149.7053 49.09332 9.414898 43.22769 8.553179 5.865623 
12.71995 
1 1 1 10  -19 13 o 54.65545 5.178967  673.9188       115.9272 676.4314       
184.8867 672.2911       148.8145 54.30549 8.109294 55.00542 6.444079 
-0.6999283     10.35793 
1 1 1 10  -19 14 o 24.34040 6.906023  75.18517       107.6551 188.4272       
174.0692 5.040840       136.9980 28.79810 10.74008 19.88269 8.684655 8.915405 
13.81205 
1 1 1 10  -19 15 f 28.13209 7.216492  163.2798       111.3327 292.4725       
178.7354 81.37566       142.3130 33.39128 11.00075 22.87290 9.343158 10.51838 
14.43298 
1 1 1 10  -19 16 o 20.76574 6.601919  -15.39680      119.4363 -29.89230      
158.5868 3.600282       181.5490 19.70950 8.926566 21.82197 9.729222 -2.112467 
13.20384 
1 1 1 10  -19 17 o 58.36054 5.543837  819.8420       134.8758 920.5352       
191.1006 719.8987       190.3877 62.43934 7.289953 54.28175 8.354226 8.157593 
11.08767 
1 1 1 10  -19 18 o 27.00273 7.333537  161.8346       125.4641 303.8385       
181.6981 32.42327       173.4549 32.33669 11.09068 21.66877 9.597907 10.66792 
14.66707 
1 1 1 10  -19 19 o 24.32215 7.052622  126.3559       127.2882 -94.50118      
233.5418 219.6901       151.8202 20.75400 9.866507 27.89030 10.08018 -7.136301 
14.10524 
1 1 1 10  -19 20 o 30.38584 7.624221  322.1643       130.6757 200.2192       
250.5038 367.7539       153.1669 26.03584 11.53300 34.73584 9.975212 -8.700005 
15.24844 
1 1 1 10  -18 0  o 75.50340 3.584441  1254.443       108.0721 1409.109       
138.8783 1016.990       172.0773 81.74297 4.046737 69.26383 5.917499 12.47913 
7.168882 
1 1 1 10  -18 1  o 186.2648 4.522561  7405.219       347.3472 7570.548       
453.5877 7170.801       540.1090 189.0110 5.716042 183.5186 7.010071 5.492355 
9.045121 
1 1 1 10  -18 2  o 88.25931 3.334542  1647.535       123.1066 1661.048       
167.4856 1631.655       181.5632 88.68010 4.498549 87.83852 4.923386 0.8415756 
6.669084 
1 1 1 10  -18 3  o 113.7450 3.552876  2747.118       166.8287 2787.462       
217.9140 2689.990       259.3119 114.8469 4.519463 112.6430 5.483263 2.203911 
7.105753 
1 1 1 10  -18 4  o 82.11637 3.519459  1377.033       117.4840 1238.275       
145.9611 1632.319       197.9806 76.51487 4.543728 87.71787 5.375956 -11.20300 
7.038918 
1 1 1 10  -18 5  o 72.29068 3.963557  1115.906       118.3947 1139.854       
155.3065 1082.680       182.9368 73.30762 5.046166 71.27373 6.113538 2.033897 
7.927114 
1 1 1 10  -18 6  o 33.10062 6.393915  244.6364       90.72102 231.1257       
120.3057 262.4473       138.1312 32.08416 8.709095 34.11708 9.363774 -2.032921 
12.78783 
1 1 1 10  -18 7  o 41.83786 5.283639  396.2917       88.40379 471.3134       
119.4323 305.3743       131.4776 46.94131 6.060207 36.73440 8.656862 10.20691 
10.56728 
1 1 1 10  -18 8  o 38.66634 5.866113  342.5786       92.47864 385.0558       
119.9778 280.3989       145.1602 42.28172 6.758798 35.05096 9.589775 7.230762 
11.73223 
1 1 1 10  -18 9  o 81.12021 3.728756  1356.316       124.6898 1136.277       
159.3148 1704.210       200.3224 72.94657 5.202024 89.29384 5.343542 -16.34727 
7.457513 
1 1 1 10  -18 10 o 118.8965 4.753759  3074.694       233.0821 3122.556       
304.1505 3006.591       362.8090 120.3959 6.017246 117.3970 7.361090 2.998924 
9.507518 
1 1 1 10  -18 11 o 23.75793 6.787580  68.24960       106.3110 2.298918       
167.7590 112.5091       137.4293 22.38645 9.692836 25.12941 9.504416 -2.742960 
13.57516 
1 1 1 10  -18 12 f 61.74316 5.302688  874.6337       131.2841 621.8987       
192.3758 1094.936       179.6087 52.51236 8.725893 70.97396 6.027669 -18.46160 
10.60538 
1 1 1 10  -18 13 o 65.24853 5.049339  941.0987       136.9197 978.2886       
210.5094 913.8295       180.2585 66.13180 7.581974 64.36526 6.670605 1.766541 
10.09868 
1 1 1 10  -18 14 o 30.34167 6.396245  213.6387       108.0430 -29.66911      
172.6870 370.1451       138.4993 21.21477 9.472809 39.46857 8.597309 -18.25381 
12.79249 
1 1 1 10  -18 15 o 19.39571 6.225718  -45.82144      106.7103 -69.08801      
179.9780 -33.20835      132.5147 20.41591 9.326897 18.37552 8.249077 2.040394 
12.45144 
1 1 1 10  -18 16 o 64.79634 5.867186  1012.462       151.3918 878.3895       
244.1729 1096.189       192.9574 59.93522 9.703679 69.65746 6.598037 -9.722244 
11.73437 
1 1 1 10  -18 17 o 19.82775 6.343385  -27.58189      110.2818 -25.61198      
177.6526 -28.81695      140.6672 20.92352 9.463648 18.73198 8.449469 2.191544 
12.68677 
1 1 1 10  -18 18 o 46.92470 6.672425  577.4258       125.5472 486.5908       
197.6379 638.8778       162.5593 41.85756 11.07353 51.99184 7.447279 -10.13428 
13.34485 
1 1 1 10  -18 19 o 21.88664 7.066818  -19.53563      126.3870 104.3845       
245.4986 -64.22285      147.4246 25.97721 11.47353 17.79607 8.253342 8.181133 
14.13364 
1 1 1 10  -18 20 o 38.00850 8.581383  448.4375       148.0899 539.5306       
259.3222 404.3545       180.3984 39.21106 13.25064 36.80594 10.90785 2.405113 
17.16277 
1 1 1 10  -18 21 o 31.59338 8.261108  339.4283       139.2146 391.7964       
253.1964 316.7371       166.6686 31.74163 12.65454 31.44513 10.62292 0.2965031 
16.52222 
1 1 1 10  -18 22 o 29.06802 8.065851  321.4068       151.7871 221.6758       
259.4641 373.2951       187.1531 25.83956 11.57269 32.29647 11.23853 -6.456911 
16.13170 
1 1 1 10  -17 0  o 90.40593 3.220054  1758.559       115.1991 1831.570       
142.7043 1621.971       195.1867 93.24198 3.645413 87.56989 5.309045 5.672096 
6.440109 
1 1 1 10  -17 1  o 55.66908 4.092076  636.3979       91.24140 593.5941       
111.6259 722.5674       158.3801 52.99677 5.016915 58.34140 6.466135 -5.344624 
8.184152 
1 1 1 10  -17 2  o 196.7533 6.396111  8311.575       490.7856 8318.775       
593.8298 8296.057       871.7744 197.6928 7.154714 195.8139 10.60429 1.878845 
12.79222 
1 1 1 10  -17 3  o 93.61741 3.852388  1836.179       144.9570 1791.278       
179.5951 1920.105       245.5356 92.09757 4.644804 95.13725 6.147306 -3.039673 
7.704776 
1 1 1 10  -17 4  o 60.19217 3.964802  766.4572       100.0960 743.4701       
137.8927 792.0611       145.5300 59.24573 5.543773 61.13860 5.669672 -1.892868 
7.929603 
1 1 1 10  -17 5  o 145.1348 4.109226  4401.277       221.1590 4326.108       
257.1593 4614.792       433.4067 143.1426 4.279120 147.1271 7.016558 -3.984497 
8.218452 
1 1 1 10  -17 6  o 123.8819 3.650515  3250.531       185.7386 3244.202       
239.0367 3260.175       295.0741 123.8506 4.597137 123.9132 5.671980 
-0.6256104E-01 7.301030 
1 1 1 10  -17 7  o 51.30306 4.910203  538.7598       103.2917 417.0972       
131.9558 731.2569       165.9824 44.12381 7.123221 58.48231 6.760184 -14.35850 
9.820406 
1 1 1 10  -17 8  o 144.0872 4.794918  4421.459       265.6821 4377.447       
317.0174 4525.317       486.9846 143.4884 5.262443 144.6860 8.016959 -1.197617 
9.589835 
1 1 1 10  -17 9  o 34.22075 6.730136  210.6223       101.3278 446.9726       
181.2414 103.1572       122.2118 44.18716 10.00140 24.25434 9.008387 19.93283 
13.46027 
1 1 1 10  -17 10 o 80.19849 4.703197  1344.213       152.6049 1538.605       
258.9106 1240.729       188.9065 84.29568 7.315862 76.10131 5.912563 8.194366 
9.406394 
1 1 1 10  -17 11 o 27.83975 7.008097  152.6079       109.0493 31.50425       
180.2691 222.4998       136.9481 24.28235 10.26426 31.39716 9.544565 -7.114807 
14.01619 
1 1 1 10  -17 12 o 53.66471 6.196424  649.2300       131.7797 643.5947       
213.4843 652.6990       167.5003 52.67619 10.01465 54.65323 7.299965 -1.977039 
12.39285 
1 1 1 10  -17 13 o 88.53400 4.633405  1709.179       172.1989 1748.125       
244.6797 1670.958       242.3886 89.55585 6.507661 87.51214 6.597281 2.043716 
9.266809 
1 1 1 10  -17 14 o 77.11631 5.056015  1299.491       160.3457 1401.800       
257.3879 1234.603       204.9818 79.22208 7.738609 75.01054 6.508998 4.211548 
10.11203 
1 1 1 10  -17 15 o 72.78914 4.983181  1125.097       145.6275 1378.735       
253.9477 1000.819       177.7598 78.17156 7.737783 67.40671 6.281328 10.76485 
9.966362 
1 1 1 10  -17 16 o 32.61126 6.656425  196.2902       111.3726 490.9437       
180.2656 14.38339       141.6385 44.60973 9.886785 20.61280 8.915350 23.99693 
13.31285 
1 1 1 10  -17 17 o 89.10703 4.598096  1790.973       170.1104 1742.790       
257.8315 1828.114       226.3718 87.55784 7.013941 90.65621 5.947655 -3.098373 
9.196193 
1 1 1 10  -17 18 o 84.28276 4.998608  1633.089       175.4666 1654.104       
265.4481 1616.781       233.8407 84.29597 7.500563 84.26955 6.609530 
0.2642822E-01  9.997216 
1 1 1 10  -17 19 o 39.44145 7.646066  412.7363       125.4397 477.1947       
215.7710 379.8293       154.1691 40.74900 11.88448 38.13390 9.623324 2.615093 
15.29213 
1 1 1 10  -17 20 o 42.02484 8.351993  507.6063       142.3004 565.0078       
283.0797 488.1965       164.6103 40.88149 13.84431 43.16818 9.346564 -2.286690 
16.70399 
1 1 1 10  -17 21 o 34.02250 8.004981  248.0681       133.3364 673.9976       
256.0997 89.67716       156.1728 45.45798 12.84906 22.58702 9.550941 22.87096 
16.00996 
1 1 1 10  -17 22 o 29.34724 8.053124  296.6809       149.0657 173.1693       
287.2676 342.1934       174.3806 26.12219 11.88879 32.57229 10.86591 -6.450104 
16.10625 
1 1 1 10  -17 23 o 23.23548 7.190122  115.4701       108.0576 231.4180       
259.2636 91.09438       118.8747 26.08990 11.62947 20.38106 8.458535 5.708843 
14.38024 
1 1 1 10  -16 0  o 129.4808 6.135847  3555.752       333.5482 0.000000       
0.000000 3555.752       333.5482 ?        ?        129.4808 6.135847 ? ? 
1 1 1 10  -16 1  o 144.7265 4.780040  4408.334       278.9336 4298.561       
346.9887 4608.837       468.9487 142.4414 5.802300 147.0116 7.597924 -4.570190 
9.560081 
1 1 1 10  -16 2  o 38.18117 5.315654  315.6023       81.37727 283.3829       
106.3078 361.2019       126.4700 35.84919 7.316503 40.51315 7.713204 -4.663952 
10.63131 
1 1 1 10  -16 3  o 108.7570 3.559814  2512.074       161.7286 2720.450       
224.7868 2288.452       232.8646 113.5006 4.717305 104.0134 5.332555 9.487175 
7.119628 
1 1 1 10  -16 4  o 53.02155 4.103062  601.7809       89.81741 635.9392       
118.8751 556.3395       137.1095 54.84325 5.162840 51.19984 6.378522 3.643414 
8.206124 
1 1 1 10  -16 5  o 188.0230 5.970529  7624.201       452.6741 7782.625       
569.9331 7353.471       745.0442 191.2212 7.099193 184.8249 9.601580 6.396301 
11.94106 
1 1 1 10  -16 6  o 122.0776 3.808326  3156.475       194.0717 3171.753       
261.2716 3137.669       289.8683 122.4632 5.081684 121.6920 5.673612 0.7711868 
7.616652 
1 1 1 10  -16 7  o 201.3787 7.483876  8688.929       548.3763 9065.953       
1100.243 8564.313       632.5430 202.5482 12.93842 200.2092 7.525356 2.338989 
14.96775 
1 1 1 10  -16 8  o 93.50642 4.505297  1866.043       172.6235 1844.627       
274.9188 1879.982       221.7990 92.91162 7.047830 94.10122 5.614169 -1.189598 
9.010593 
1 1 1 10  -16 9  o 180.0169 6.575223  7133.461       456.5409 6815.070       
815.8208 7278.632       550.8745 175.7613 11.05586 184.2725 7.120544 -8.511215 
13.15045 
1 1 1 10  -16 10 o 94.72188 4.655225  1933.490       180.8460 1870.258       
285.4585 1975.883       233.7359 93.19961 7.295415 96.24415 5.784584 -3.044540 
9.310451 
1 1 1 10  -16 11 o 25.80384 7.121837  70.28832       111.6664 185.5456       
183.0355 1.956854       140.9326 30.71618 11.07135 20.89151 8.961440 9.824663 
14.24367 
1 1 1 10  -16 12 o 57.61803 5.138495  694.7473       121.1620 833.8574       
200.4134 614.6163       152.1066 61.88814 7.713304 53.34793 6.791279 8.540211 
10.27699 
1 1 1 10  -16 13 o 76.42176 4.775258  1270.074       151.1792 1240.423       
231.7230 1292.047       199.4809 75.43162 7.317063 77.41190 6.137827 -1.980286 
9.550515 
1 1 1 10  -16 14 o 66.98030 4.793604  962.5859       130.1084 1039.267       
217.3565 919.7672       162.4218 68.73115 7.532517 65.22945 5.930913 3.501694 
9.587208 
1 1 1 10  -16 15 o 39.49096 6.960151  368.4276       112.5774 386.2802       
183.1200 357.5808       142.7373 39.92235 10.70373 39.05956 8.899721 0.8627930 
13.92030 
1 1 1 10  -16 16 o 99.47243 4.949607  2203.167       204.4603 2164.461       
310.7406 2232.717       271.5140 98.26598 7.532097 100.6789 6.423547 -2.412903 
9.899214 
1 1 1 10  -16 17 o 55.44301 6.222411  720.7620       137.9449 533.6019       
188.7648 935.2621       202.0823 46.61895 9.938756 64.26706 7.489640 -17.64811 
12.44482 
1 1 1 10  -16 18 o 40.26058 7.330112  415.5161       124.5837 393.6559       
186.4425 433.1511       167.4583 38.89021 10.95380 41.63095 9.743529 -2.740746 
14.66022 
1 1 1 10  -16 19 o 75.87683 5.435981  1354.060       170.9824 1240.123       
254.2906 1448.078       230.9957 72.21372 8.387482 79.53993 6.917349 -7.326210 
10.87196 
1 1 1 10  -16 20 o 25.58546 7.222289  136.3288       116.3930 123.3837       
157.0760 152.0918       173.3311 24.78761 9.935004 26.38331 10.48530 -1.595695 
14.44458 
1 1 1 10  -16 21 o 21.27979 6.964877  -46.94818      145.1068 -89.29290      
238.9363 -22.20503      182.6459 21.77517 10.22026 20.78442 9.464897 0.9907494 
13.92975 
1 1 1 10  -16 22 o 31.02859 8.350724  298.1491       154.8437 218.2457       
249.6674 348.0956       197.3930 28.46406 12.05803 33.59314 11.55606 -5.129080 
16.70145 
1 1 1 10  -16 23 o 19.27146 6.532910  -67.18135      98.93750 116.4076       
260.3101 -98.18014      106.9646 24.76307 11.28280 13.77985 6.588935 10.98322 
13.06582 
1 1 1 10  -16 24 o 28.42196 7.627286  255.5788       110.2908 328.4181       
270.6063 241.0691       120.7773 28.38129 12.29981 28.46262 9.023125 
-0.8132553E-01 15.25457 
1 1 1 10  -15 0  f 48.87190 4.749438  517.3132       91.97360 540.5411       
114.2450 474.5312       155.0468 50.56071 5.382017 47.18310 7.827039 3.377609 
9.498877 
1 1 1 10  -15 1  o 150.4335 4.946246  4677.680       252.5437 4586.907       
282.2484 5042.119       565.5398 147.4210 4.560297 153.4460 8.778671 -6.024933 
9.892491 
1 1 1 10  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -15 3  o 178.9544 5.869048  6940.785       426.7016 7249.612       
546.5967 6458.931       682.7590 184.5807 7.053452 173.3281 9.382521 11.25264 
11.73810 
1 1 1 10  -15 4  o 112.6135 3.798508  2688.371       179.1477 2889.818       
252.4845 2484.127       254.2306 116.9070 5.144172 108.3201 5.590362 8.586868 
7.597015 
1 1 1 10  -15 5  o 125.9268 4.615586  3341.460       229.7406 3291.850       
280.1378 3443.359       401.4886 124.7454 5.348946 127.1081 7.523518 -2.362709 
9.231173 
1 1 1 10  -15 6  o 184.9148 4.988306  7205.585       380.9447 6911.127       
491.7672 7647.409       602.3821 180.4234 6.492137 189.4062 7.575284 -8.982758 
9.976611 
1 1 1 10  -15 7  o 72.08926 4.800452  1121.472       142.3144 1006.615       
217.6777 1207.215       188.0773 68.71003 7.545967 75.46851 5.935971 -6.758476 
9.600904 
1 1 1 10  -15 8  o 114.1798 5.062891  2712.160       236.3388 3061.120       
389.4079 2508.662       297.3697 119.7128 7.747920 108.6469 6.519294 11.06597 
10.12578 
1 1 1 10  -15 9  o 31.93039 6.514009  228.4046       100.5021 84.11693       
156.3592 329.9834       131.1929 25.37062 9.997768 38.49015 8.353075 -13.11953 
13.02802 
1 1 1 10  -15 10 o 21.89070 6.363467  2.225270       95.56828 116.8631       
154.3245 -69.08433      121.7152 26.67019 10.07625 17.11122 7.774579 9.558968 
12.72693 
1 1 1 10  -15 11 o 31.49624 7.297335  215.4484       114.9560 112.5310       
188.9341 275.9453       144.8546 28.01931 11.00633 34.97318 9.584630 -6.953871 
14.59467 
1 1 1 10  -15 12 o 160.6104 4.884660  5549.381       328.9033 5535.514       
477.5801 5561.893       453.6231 160.3128 7.095765 160.9079 6.714889 
-0.5951385     9.769320 
1 1 1 10  -15 13 o 66.39301 5.419924  949.4041       143.4893 983.2245       
246.1109 931.9875       176.6124 66.94202 8.756954 65.84399 6.388901 1.098022 
10.83985 
1 1 1 10  -15 14 o 104.6742 4.527368  2364.490       198.4175 2144.667       
277.6523 2593.919       283.6535 99.59386 6.640331 109.7546 6.155831 -10.16070 
9.054736 
1 1 1 10  -15 15 o 47.91539 5.962446  515.1727       116.7712 590.5961       
169.4783 447.0072       161.1177 51.79427 7.793876 44.03651 9.025438 7.757751 
11.92489 
1 1 1 10  -15 16 o 40.49152 7.062859  400.3827       121.3404 294.4772       
181.8353 485.4016       162.9209 35.18900 11.05965 45.79404 8.787498 -10.60505 
14.12572 
1 1 1 10  -15 17 o 56.21381 6.041152  736.4838       136.4268 628.1533       
200.7771 829.4031       185.9483 51.39582 9.660125 61.03179 7.257000 -9.635963 
12.08230 
1 1 1 10  -15 18 o 73.28851 5.285599  1182.841       160.5701 1439.255       
251.6674 1006.799       208.5284 79.79266 7.512509 66.78437 7.437232 13.00829 
10.57120 
1 1 1 10  -15 19 o 59.17850 5.779681  807.7875       140.0633 841.0690       
225.1982 786.7913       178.8684 59.55340 9.006986 58.80359 7.245209 0.7498055 
11.55936 
1 1 1 10  -15 20 o 48.67866 6.455357  565.5658       128.0909 470.9113       
166.8366 701.4720       199.9127 43.31049 9.437422 54.04682 8.810313 -10.73632 
12.91071 
1 1 1 10  -15 21 o 59.72631 5.702493  847.7646       142.4443 757.4233       
193.7386 954.0643       210.1547 56.14260 8.219488 63.31002 7.906560 -7.167423 
11.40499 
1 1 1 10  -15 22 o 38.21402 8.162502  415.8251       135.0216 457.6822       
249.0048 398.3921       160.6978 37.95758 12.98437 38.47045 9.895049 
-0.5128670     16.32500 
1 1 1 10  -15 23 o 34.20305 8.512028  370.6533       149.2310 363.3567       
263.4850 374.0994       181.0730 32.94928 12.98023 35.45682 11.01509 -2.507542 
17.02406 
1 1 1 10  -15 24 o 57.47672 7.534319  902.3932       133.5673 1077.576       
318.7095 865.0696       147.1093 54.29402 13.91748 60.65942 5.776478 -6.365398 
15.06864 
1 1 1 10  -15 25 o 22.54417 6.626837  131.9322       103.4718 12.03710       
224.1282 164.4073       116.6464 21.07435 9.892625 24.01399 8.820196 -2.939638 
13.25367 
1 1 1 10  -14 0  o 167.4508 4.220970  5779.812       274.2521 5549.651       
327.0530 6325.062       503.3851 162.1991 4.802760 172.7025 6.942611 -10.50345 
8.441939 
1 1 1 10  -14 1  o 98.01076 3.720986  2045.154       145.8930 2084.105       
181.6838 1974.442       244.7983 99.43028 4.352298 96.59124 6.036592 2.839043 
7.441971 
1 1 1 10  -14 2  f 62.06701 3.772703  803.2908       95.19408 772.6266       
119.4216 856.7325       157.6550 60.51037 4.700825 63.62365 5.902152 -3.113277 
7.545406 
1 1 1 10  -14 3  o 284.7022 11.81231  17608.30       1411.902 0.000000       
0.000000 17608.30       1411.902 ?        ?        284.7022 11.81231 ? ? 
1 1 1 10  -14 4  o 139.1636 4.491694  4086.971       262.4309 4086.971       
262.4309 0.000000       0.000000 139.1636 4.491694 ?        ?        ? ? 
1 1 1 10  -14 5  o 55.05435 4.256885  664.3278       95.01861 777.2527       
126.9138 520.2950       143.3325 60.64410 4.984726 49.46460 6.901939 11.17951 
8.513769 
1 1 1 10  -14 6  o 129.3053 4.657519  3540.597       242.9184 3591.685       
405.1600 3511.925       303.5233 129.8227 7.433566 128.7879 5.613558 1.034805 
9.315038 
1 1 1 10  -14 7  o 225.8778 9.412477  11228.69       889.9543 11133.05       
1305.552 11311.72       1216.349 224.5544 13.84820 227.2012 12.75171 -2.646774 
18.82495 
1 1 1 10  -14 8  o 41.08368 6.250679  393.9471       109.7347 179.7342       
162.4678 573.6509       148.8070 30.21773 10.47538 51.94962 6.822789 -21.73189 
12.50136 
1 1 1 10  -14 9  o 143.7063 5.501384  4414.336       308.8264 4391.599       
546.8209 4424.986       374.2215 142.9911 9.108718 144.4215 6.171886 -1.430420 
11.00277 
1 1 1 10  -14 10 o 150.6305 5.971795  4761.667       352.3665 5156.396       
633.1700 4584.570       424.1089 154.5235 9.759933 146.7375 6.884260 7.785995 
11.94359 
1 1 1 10  -14 11 o 78.14555 4.537660  1307.004       146.0415 1263.918       
227.7895 1337.074       190.2978 76.93155 7.052618 79.35957 5.711569 -2.428017 
9.075320 
1 1 1 10  -14 12 o 106.0463 4.537333  2403.278       201.7807 2293.458       
287.0557 2510.543       283.6959 103.5977 6.599894 108.4948 6.228237 -4.897079 
9.074665 
1 1 1 10  -14 13 o 177.3456 8.083457  7024.369       601.7747 6911.988       
852.4326 7136.018       849.6503 175.8227 11.54799 178.8686 11.31429 -3.045898 
16.16691 
1 1 1 10  -14 14 o 94.26372 4.743398  1917.108       186.7632 1861.945       
275.9944 1963.705       253.6627 92.87773 7.077988 95.64970 6.316755 -2.771965 
9.486796 
1 1 1 10  -14 15 o 96.96752 4.771713  2029.455       185.8949 2042.535       
311.7102 2022.235       231.5845 96.80139 7.669913 97.13365 5.678856 
-0.3322601     9.543426 
1 1 1 10  -14 16 o 41.53032 6.612658  421.4453       125.9018 130.4717       
187.6153 659.8283       169.8162 28.12907 10.98587 54.93156 7.363399 -26.80248 
13.22532 
1 1 1 10  -14 17 o 52.00165 5.941832  601.0662       129.2947 654.5223       
192.5569 557.1768       174.4777 54.06313 8.483575 49.94016 8.321683 4.122974 
11.88366 
1 1 1 10  -14 18 o 19.19668 6.087976  -114.2577      110.5394 -282.9353      
154.8981 60.78730       157.7947 14.83141 7.279933 23.56196 9.759938 -8.730549 
12.17595 
1 1 1 10  -14 19 o 43.22803 6.751865  463.2736       123.5732 296.4968       
180.2729 611.0995       169.7218 34.55713 11.03073 51.89893 7.789334 -17.34181 
13.50373 
1 1 1 10  -14 20 o 26.89363 6.980211  141.7482       110.1149 251.1388       
157.2831 36.58497       154.2142 31.79135 10.31911 21.99591 9.402630 9.795433 
13.96042 
1 1 1 10  -14 21 o 51.91196 6.233371  647.3884       131.1263 515.6024       
178.1870 803.0539       193.6589 45.22037 9.667765 58.60355 7.871086 -13.38318 
12.46674 
1 1 1 10  -14 22 f 31.51115 7.554800  264.8988       123.0660 187.2332       
182.9825 329.0447       166.2951 28.04240 10.87041 34.97990 10.49449 -6.937506 
15.10960 
1 1 1 10  -14 23 o 22.42504 6.995946  38.51948       129.1380 11.11363       
189.5660 62.25101       176.4012 21.95348 9.860518 22.89659 9.926896 
-0.9431114     13.99189 
1 1 1 10  -14 24 o 32.55665 7.419893  320.1759       111.2487 218.3647       
272.6437 340.5129       121.8542 28.68758 12.38805 36.42572 8.170395 -7.738136 
14.83979 
1 1 1 10  -14 25 o 39.26651 7.586690  464.9358       119.7509 519.3069       
235.8017 446.0396       139.0112 37.72279 12.63544 40.81023 8.401018 -3.087437 
15.17338 
1 1 1 10  -14 26 o 26.94598 6.508554  200.9559       95.20241 342.6794       
144.3822 91.93941       126.6307 33.28492 9.726189 20.60705 8.651379 12.67787 
13.01711 
1 1 1 10  -13 0  o 127.9618 3.967830  3411.211       199.4310 3331.849       
241.1879 3582.767       354.6113 125.7568 4.568200 130.1668 6.488934 -4.410027 
7.935660 
1 1 1 10  -13 1  o 88.13493 3.477439  1645.151       122.3499 1661.949       
151.6313 1613.807       207.1265 88.84410 4.065196 87.42576 5.643095 1.418343 
6.954879 
1 1 1 10  -13 2  o 133.7846 3.975162  3738.609       201.3690 3684.795       
237.2328 3877.335       380.8942 132.2544 4.272537 135.3149 6.704706 -3.060547 
7.950324 
1 1 1 10  -13 3  o 191.7176 5.321860  7798.482       394.1122 7784.805       
472.5678 7829.726       714.2377 191.8836 5.866071 191.5517 8.881328 0.3319397 
10.64372 
1 1 1 10  -13 4  o 101.5143 3.958741  2093.616       147.4148 2009.453       
169.4873 2355.087       298.7374 97.65083 4.134112 105.3778 6.752453 -7.726974 
7.917481 
1 1 1 10  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -13 6  o 35.75906 6.201468  289.8000       107.1813 60.21512       
163.4000 463.1818       141.9980 24.86473 10.06354 46.65340 7.249697 -21.78867 
12.40294 
1 1 1 10  -13 7  o 44.48686 5.849287  434.7167       106.1323 376.3186       
153.4081 488.3273       146.9853 41.09069 9.132193 47.88303 7.311613 -6.792339 
11.69857 
1 1 1 10  -13 8  o 74.29888 4.312807  1168.397       131.5421 1181.280       
209.6829 1160.036       168.9151 74.55865 6.698630 74.03911 5.434111 0.5195465 
8.625613 
1 1 1 10  -13 9  o 41.25124 6.007839  376.4021       100.1419 346.3740       
159.1218 396.0952       128.8613 39.35704 9.683424 43.14545 7.113915 -3.788418 
12.01568 
1 1 1 10  -13 10 o 73.39941 4.807323  1167.674       144.9907 997.5233       
218.0502 1302.534       194.1246 68.39844 7.593316 78.40038 5.897710 -10.00195 
9.614647 
1 1 1 10  -13 11 o 67.98750 4.949698  953.3721       138.1066 1129.931       
226.1901 848.4254       174.3865 72.79364 7.401183 63.18135 6.574233 9.612293 
9.899396 
1 1 1 10  -13 12 o 70.71179 5.509504  1080.025       161.4282 888.2371       
229.2462 1268.659       227.3535 64.29900 8.492177 77.12458 7.021499 -12.82558 
11.01901 
1 1 1 10  -13 13 o 41.59557 7.567990  377.3554       131.1447 485.1047       
211.2097 309.7475       167.3036 46.11150 11.03995 37.07965 10.35458 9.031853 
15.13598 
1 1 1 10  -13 14 o 154.3512 6.658890  5211.301       430.1629 5154.541       
631.3795 5260.472       587.6556 153.3060 9.809626 155.3965 9.007470 -2.090500 
13.31778 
1 1 1 10  -13 15 o 42.36990 7.427838  419.2711       130.9472 375.2881       
202.6526 450.7994       171.5772 40.25437 11.44654 44.48542 9.469309 -4.231049 
14.85568 
1 1 1 10  -13 16 o 40.50489 7.771245  381.8740       135.3002 409.6725       
198.3823 357.6983       185.0042 41.81762 11.10875 39.19216 10.87036 2.625458 
15.54249 
1 1 1 10  -13 17 o 72.96754 5.042145  1182.660       151.0238 1004.661       
226.5865 1324.945       202.5833 67.59048 7.984902 78.34460 6.159079 -10.75412 
10.08429 
1 1 1 10  -13 18 o 96.46902 5.086086  2057.323       204.3115 1791.043       
291.6012 2314.098       286.3504 89.97128 7.719807 102.9668 6.624023 -12.99548 
10.17217 
1 1 1 10  -13 19 f 52.08358 6.301766  650.9229       129.4055 474.6305       
192.6272 795.9246       174.6978 44.15915 10.52451 60.00801 6.934247 -15.84886 
12.60353 
1 1 1 10  -13 20 o 58.61121 5.490299  777.5400       134.9586 730.6597       
188.0520 827.3290       193.7982 56.71679 7.897458 60.50562 7.629133 -3.788834 
10.98060 
1 1 1 10  -13 21 o 34.50158 6.373059  279.5965       116.3363 5.944877       
168.0118 531.6507       161.2456 21.75311 9.558591 47.25005 8.431896 -25.49694 
12.74612 
1 1 1 10  -13 22 o 75.56422 4.700374  1276.846       147.8998 1520.949       
223.9707 1088.091       196.9490 81.99451 6.506202 69.13393 6.785528 12.86057 
9.400747 
1 1 1 10  -13 23 o 27.99350 7.482878  187.3606       124.9125 103.0673       
189.9469 251.5918       165.8091 25.10524 10.57039 30.88176 10.59438 -5.776518 
14.96576 
1 1 1 10  -13 24 o 43.06259 6.751004  466.7175       106.9432 522.6724       
215.2744 448.3841       123.2237 42.27288 11.72636 43.85229 6.693035 -1.579414 
13.50201 
1 1 1 10  -13 25 o 26.39685 7.354183  110.0937       109.3277 364.7438       
219.3179 25.89176       126.1140 33.73444 12.12307 19.05927 8.328693 14.67517 
14.70837 
1 1 1 10  -13 26 o 50.00761 5.914552  681.0809       115.6624 516.8085       
173.1582 813.4189       155.4187 41.97527 9.962250 58.03997 6.378186 -16.06470 
11.82910 
1 1 1 10  -13 27 o 35.28215 6.443590  378.3174       98.26198 302.8120       
151.6676 432.9366       128.9959 30.55322 10.13359 40.01108 7.961771 -9.457863 
12.88718 
1 1 1 10  -12 0  o 204.0172 5.688511  8826.416       429.1655 8836.803       
500.4323 8797.540       834.4091 204.6844 5.823466 203.3500 9.773631 1.334457 
11.37702 
1 1 1 10  -12 1  o 87.65005 3.412013  1625.689       119.6499 1643.112       
148.6659 1593.650       201.5963 88.36688 4.007216 86.93321 5.523544 1.433670 
6.824025 
1 1 1 10  -12 2  o 224.0338 6.033800  10560.03       545.6489 10309.97       
679.9309 11012.42       914.5305 220.6758 7.338904 227.3919 9.579533 -6.716125 
12.06760 
1 1 1 10  -12 3  o 127.9390 4.244788  3394.907       207.0057 3311.592       
244.3947 3606.443       389.4223 125.3694 4.643243 130.5087 7.107262 -5.139366 
8.489575 
1 1 1 10  -12 4  o 300.6574 10.07567  19386.05       1172.507 18906.85       
1402.242 20499.79       2137.754 296.6338 11.25961 304.6810 16.71219 -8.047211 
20.15133 
1 1 1 10  -12 5  o 219.9358 7.880196  10281.21       706.1707 9888.278       
889.5162 10950.96       1161.327 214.9156 9.858413 224.9560 12.29641 -10.04037 
15.76039 
1 1 1 10  -12 6  o 273.1776 11.20793  16582.03       1275.780 16248.23       
1910.903 16850.46       1713.627 269.7179 16.87524 276.6373 14.75458 -6.919342 
22.41587 
1 1 1 10  -12 7  o 119.5564 7.709463  3044.381       386.9689 3044.381       
386.9689 0.000000       0.000000 119.5564 7.709463 ?        ?        ? ? 
1 1 1 10  -12 8  o 88.63718 4.302987  1658.685       158.7616 1715.747       
242.5209 1615.894       210.0162 89.91642 6.424379 87.35795 5.726266 2.558472 
8.605973 
1 1 1 10  -12 9  o 91.09572 4.174055  1747.498       158.1590 1838.334       
243.1393 1680.870       208.2361 93.08688 6.221395 89.10457 5.566434 3.982307 
8.348110 
1 1 1 10  -12 10 o 161.0425 5.905625  5551.673       398.2643 6048.214       
566.6407 5066.908       559.8817 168.2813 8.020343 153.8038 8.670625 14.47758 
11.81125 
1 1 1 10  -12 11 o 57.03596 5.143327  691.0458       121.2958 701.8538       
189.2550 683.5115       158.0166 57.34607 7.860765 56.72585 6.635030 0.6202278 
10.28665 
1 1 1 10  -12 12 o 147.1552 6.702367  4663.521       413.7706 4791.637       
579.9544 4530.699       590.5082 149.3004 9.252389 145.0100 9.699495 4.290451 
13.40473 
1 1 1 10  -12 13 o 69.94356 5.490461  1027.416       159.6837 1191.789       
247.4252 910.0786       209.0484 74.63008 7.896801 65.25703 7.630281 9.373047 
10.98092 
1 1 1 10  -12 14 o 46.69581 7.287617  494.9879       139.2041 446.1576       
200.5622 540.3759       193.3638 44.28959 10.85575 49.10203 9.725748 -4.812443 
14.57523 
1 1 1 10  -12 15 o 183.7680 5.706923  7296.389       440.2245 7329.469       
617.7012 7262.244       627.5586 184.2461 7.985485 183.2899 8.155240 0.9561462 
11.41385 
1 1 1 10  -12 16 o 25.03429 7.047833  50.67757       122.6795 -125.8361      
193.0736 170.1970       158.8741 20.86050 9.584231 29.20808 10.33588 -8.347578 
14.09567 
1 1 1 10  -12 17 o 145.7950 5.254363  4618.015       321.3442 4805.065       
452.8264 4428.260       456.0898 148.8909 7.244105 142.6991 7.612901 6.191757 
10.50873 
1 1 1 10  -12 18 o 73.16461 4.998808  1118.671       149.6257 1378.218       
248.0940 970.2988       187.5797 79.42907 7.439743 66.90015 6.678514 12.52892 
9.997616 
1 1 1 10  -12 19 o 74.79677 5.253177  1241.581       163.3102 1145.886       
242.2141 1321.343       221.1338 71.83714 8.031033 77.75639 6.773921 -5.919250 
10.50635 
1 1 1 10  -12 20 o 42.95663 6.417405  440.7159       118.3025 210.6666       
165.4782 681.2120       169.1938 30.52746 10.57302 55.38581 7.276239 -24.85835 
12.83481 
1 1 1 10  -12 21 f 81.28378 4.336332  1455.352       147.7706 1456.961       
214.6932 1453.904       203.6985 81.22314 6.295927 81.34441 5.964598 
-0.1212616     8.672665 
1 1 1 10  -12 22 o 43.71013 7.118345  479.0220       127.8544 474.4734       
187.2036 482.9986       175.0358 43.26392 10.41606 44.15634 9.705100 
-0.8924217     14.23669 
1 1 1 10  -12 23 o 63.86264 5.536387  945.3317       147.2516 1014.907       
225.4863 893.5979       194.4370 65.59010 8.188473 62.13519 7.453538 3.454910 
11.07277 
1 1 1 10  -12 24 o 22.19865 6.780614  31.66651       101.4805 132.4207       
201.6934 -2.485217      117.4266 26.39878 10.99075 17.99852 7.944201 8.400267 
13.56123 
1 1 1 10  -12 25 o 34.87045 7.345612  310.5191       102.2865 398.0680       
217.8072 285.7477       115.8570 36.19312 12.14375 33.54779 8.268087 2.645332 
14.69122 
1 1 1 10  -12 26 o 42.27217 6.147413  496.5486       102.8720 354.1300       
169.2159 580.0418       129.5636 34.72702 10.62016 49.81732 6.194751 -15.09031 
12.29483 
1 1 1 10  -12 27 o 38.04093 6.458138  427.2809       105.1027 330.5306       
168.0656 489.4200       134.6900 32.03012 10.66734 44.05174 7.282716 -12.02163 
12.91628 
1 1 1 10  -11 0  o 24.17633 6.212110  96.46677       78.85268 80.68491       
98.05881 125.3467       132.6494 21.97180 8.085333 26.38086 9.433379 -4.409060 
12.42422 
1 1 1 10  -11 1  o 163.6270 4.236292  5608.376       282.9843 5492.419       
358.6626 5799.604       460.5903 161.4795 5.290416 165.7745 6.617867 -4.295059 
8.472584 
1 1 1 10  -11 2  o 44.52188 4.858768  441.2567       81.41883 471.4371       
99.89810 381.5462       140.5143 47.31252 5.029238 41.73124 8.314882 5.581280 
9.717536 
1 1 1 10  -11 3  o 88.06573 3.786529  1633.887       139.9314 1563.441       
195.9371 1707.218       199.9085 86.12491 5.418872 90.00655 5.290276 -3.881638 
7.573057 
1 1 1 10  -11 4  o 252.4713 7.326139  13533.30       769.5593 13134.22       
1015.814 14070.87       1178.961 248.3577 9.742213 256.5848 10.94434 -8.227127 
14.65228 
1 1 1 10  -11 5  o 79.75905 4.168147  1340.194       139.3979 1403.062       
203.4679 1284.582       191.3650 81.51392 5.945456 78.00418 5.843402 3.509743 
8.336294 
1 1 1 10  -11 6  o 143.0101 5.723708  4340.080       342.8658 4272.108       
467.6992 4419.047       504.1171 141.8514 7.853335 144.1689 8.328773 -2.317474 
11.44742 
1 1 1 10  -11 7  o 91.59202 4.283489  1766.775       164.0592 1694.610       
220.6490 1855.995       245.3396 89.53037 5.870196 93.65366 6.239703 -4.123291 
8.566978 
1 1 1 10  -11 8  o 162.9144 7.326003  5640.433       501.0783 0.000000       
0.000000 5640.433       501.0783 ?        ?        162.9144 7.326003 ? ? 
1 1 1 10  -11 9  o 35.10381 5.828387  222.8425       97.03429 499.2579       
155.5384 46.70982       124.1585 48.40995 7.652864 21.79767 8.792841 26.61227 
11.65677 
1 1 1 10  -11 10 o 90.51022 4.783400  1736.200       181.0696 1794.331       
269.8622 1688.600       244.1989 91.84528 6.998522 89.17516 6.522602 2.670120 
9.566799 
1 1 1 10  -11 11 o 160.3442 7.021506  5528.405       471.8692 5304.393       
644.7461 5786.795       692.4526 156.9159 9.786849 163.7726 10.07094 -6.856705 
14.04301 
1 1 1 10  -11 12 o 94.55638 4.593710  1897.994       182.3100 1960.502       
259.2750 1836.866       256.3996 96.10759 6.425753 93.00517 6.566461 3.102417 
9.187421 
1 1 1 10  -11 13 o 37.46457 7.511571  291.5759       126.7606 443.7861       
196.6714 183.4112       165.7914 44.42236 10.66440 30.50678 10.58136 13.91559 
15.02314 
1 1 1 10  -11 14 o 132.3280 5.834683  3747.904       324.0060 3638.218       
450.1657 3865.800       466.7094 130.3287 8.227228 134.3272 8.275677 -3.998566 
11.66937 
1 1 1 10  -11 15 o 134.8796 5.728365  3844.750       298.8981 4075.711       
546.6728 3746.263       356.9827 137.1425 9.494598 132.6167 6.411650 4.525711 
11.45673 
1 1 1 10  -11 16 o 45.76245 6.654868  417.9702       130.3834 832.9510       
212.3678 166.9194       165.1793 62.10059 8.145432 29.42432 10.52621 32.67628 
13.30974 
1 1 1 10  -11 17 o 27.31648 7.351560  115.2129       119.0708 181.9568       
172.3127 54.21638       164.7265 30.24082 10.75780 24.39214 10.02255 5.848682 
14.70312 
1 1 1 10  -11 18 o 125.6796 4.847050  3412.680       255.5752 3371.603       
366.9336 3451.385       356.1821 124.8696 6.999253 126.4894 6.707163 -1.619804 
9.694100 
1 1 1 10  -11 19 o 35.19089 6.760277  261.5479       106.9913 439.2321       
168.8309 142.3000       138.3097 43.57432 9.492583 26.80745 9.627889 16.76687 
13.52055 
1 1 1 10  -11 20 o 46.16423 6.306808  492.4247       118.5330 322.0193       
164.2826 677.4672       171.1929 36.84464 10.25146 55.48382 7.349207 -18.63918 
12.61362 
1 1 1 10  -11 21 o 57.03239 5.559716  735.4836       131.5334 626.8488       
188.9174 837.6924       183.2449 52.57193 8.559318 61.49286 7.097875 -8.920921 
11.11943 
1 1 1 10  -11 22 o 51.27501 6.306606  617.3892       132.6560 595.6357       
190.8569 637.7203       184.5117 49.80724 9.468918 52.74279 8.332628 -2.935547 
12.61321 
1 1 1 10  -11 23 o 22.84887 6.854642  35.31135       120.2823 -98.40218      
191.6880 122.1541       154.4806 20.34586 9.426372 25.35189 9.954294 -5.006037 
13.70928 
1 1 1 10  -11 24 o 50.57593 5.966917  658.0124       110.3705 491.0750       
190.3935 742.5051       135.4519 43.33959 10.54858 57.81226 5.580667 -14.47268 
11.93383 
1 1 1 10  -11 25 f 31.45146 7.309008  246.7603       100.6716 294.8032       
208.2737 232.1135       114.9980 32.58594 11.80360 30.31699 8.623312 2.268948 
14.61802 
1 1 1 10  -11 26 o 24.84546 6.438320  143.8371       100.7952 -47.04475      
180.2926 230.6230       121.5683 20.01227 9.222015 29.67866 8.986785 -9.666386 
12.87664 
1 1 1 10  -11 27 o 29.32915 7.064256  251.1847       104.8403 181.5607       
201.2144 277.1298       122.8308 26.59397 11.01888 32.06432 8.843024 -5.470350 
14.12851 
1 1 1 10  -11 28 o 33.91099 7.075356  373.3990       109.1330 304.7928       
207.8769 399.5022       128.2244 29.36873 11.54220 38.45325 8.186593 -9.084524 
14.15071 
1 1 1 10  -10 0  o 82.39156 3.432501  1475.051       114.4840 1666.433       
150.0369 1208.331       177.1233 89.02819 4.014131 75.75491 5.569111 13.27328 
6.865001 
1 1 1 10  -10 1  o 164.3810 5.135046  5567.918       306.4006 5439.407       
351.6772 5972.839       624.2497 160.7501 5.210915 168.0118 8.849924 -7.261688 
10.27009 
1 1 1 10  -10 2  o 25.66512 6.261386  124.6759       80.72033 117.5826       
104.0069 135.4203       128.0049 24.59996 8.391663 26.73028 9.295151 -2.130312 
12.52277 
1 1 1 10  -10 3  o 84.93251 4.107712  1519.005       146.3360 1495.972       
202.0198 1544.431       212.2604 84.26114 5.710679 85.60389 5.906042 -1.342751 
8.215424 
1 1 1 10  -10 4  o 322.0152 10.35218  22678.16       1327.364 21228.91       
2224.196 23479.83       1654.238 312.4814 16.95391 331.5490 11.88424 -19.06766 
20.70436 
1 1 1 10  -10 5  o 150.9003 5.493507  4822.622       344.8073 4844.364       
458.1935 4794.232       523.5852 151.3781 7.209532 150.4225 8.290786 0.9555817 
10.98701 
1 1 1 10  -10 6  o 42.01917 5.680317  387.5794       97.21603 321.2669       
142.3338 445.5661       133.0988 38.13203 9.020642 45.90630 6.905942 -7.774273 
11.36063 
1 1 1 10  -10 7  o 110.9013 4.770708  2604.403       221.6729 2557.543       
322.2798 2646.479       305.3875 109.9231 6.983372 111.8795 6.501626 -1.956375 
9.541416 
1 1 1 10  -10 8  o 41.59803 6.361925  381.6060       104.6985 383.2021       
173.8702 380.6980       131.1401 41.50710 10.06670 41.68897 7.781889 
-0.1818695     12.72385 
1 1 1 10  -10 9  o 70.59332 4.790612  1047.341       141.2099 910.9894       
190.7241 1212.770       210.0777 65.53597 6.931814 75.65068 6.614365 -10.11471 
9.581224 
1 1 1 10  -10 10 o 256.8276 12.01302  14333.31       1295.307 14333.31       
1295.307 0.000000       0.000000 256.8276 12.01302 ?        ?        ? ? 
1 1 1 10  -10 11 o 30.03549 7.175554  169.4731       116.3228 38.89302       
172.5821 278.1800       157.4657 24.61672 10.20255 35.45425 10.09268 -10.83753 
14.35111 
1 1 1 10  -10 12 o 138.3437 5.677253  4088.229       328.9559 4098.876       
482.3259 4078.969       449.8027 138.4295 8.299139 138.2579 7.749135 0.1715851 
11.35451 
1 1 1 10  -10 13 o 70.13980 4.922383  1053.090       141.7428 1011.450       
222.7644 1081.417       183.7355 68.86533 7.704885 71.41428 6.128145 -2.548958 
9.844767 
1 1 1 10  -10 14 o 65.56781 5.324323  924.4977       141.5040 884.1628       
229.6341 949.1898       179.6698 64.26561 8.510965 66.87001 6.399775 -2.604401 
10.64865 
1 1 1 10  -10 15 o 79.51958 4.655628  1329.263       151.1523 1408.759       
247.1563 1281.766       191.0434 81.29156 7.241812 77.74758 5.852833 3.543983 
9.311256 
1 1 1 10  -10 16 o 53.26793 6.554875  612.5283       140.9057 677.5301       
224.3972 570.2140       181.0499 55.04729 10.08550 51.48857 8.375457 3.558723 
13.10975 
1 1 1 10  -10 17 o 154.6784 5.871705  5181.156       375.7911 5111.499       
580.1785 5231.502       493.2409 153.3858 9.009436 155.9711 7.532446 -2.585297 
11.74341 
1 1 1 10  -10 18 o 22.17187 6.789980  -12.56866      117.5781 -51.58643      
170.1751 23.07101       162.6416 21.22543 9.442608 23.11830 9.759737 -1.892868 
13.57996 
1 1 1 10  -10 19 o 79.87096 4.827719  1381.693       161.1783 1518.552       
227.1324 1242.869       228.7573 83.98971 6.441308 75.75220 7.192846 8.237511 
9.655438 
1 1 1 10  -10 20 o 81.51831 4.777331  1439.701       162.1839 1425.914       
215.7659 1457.608       245.9032 81.23302 6.326612 81.80360 7.159997 
-0.5705795     9.554663 
1 1 1 10  -10 21 o 44.70396 6.740472  468.0168       121.6807 469.5999       
160.8884 465.9010       185.9936 45.10134 8.811121 44.30657 10.20294 0.7947731 
13.48094 
1 1 1 10  -10 22 o 52.34901 6.069937  620.3521       129.9464 552.7776       
171.8955 710.4696       198.5078 48.70840 8.721315 55.98963 8.444834 -7.281227 
12.13987 
1 1 1 10  -10 23 o 70.35294 5.357443  1115.371       156.7938 929.4832       
215.2792 1325.378       228.8195 63.81508 8.035257 76.89080 7.088261 -13.07572 
10.71489 
1 1 1 10  -10 24 o 94.62006 4.770604  1894.773       154.0941 2242.741       
346.0580 1808.715       172.0973 97.89407 8.420031 91.34604 4.487509 6.548027 
9.541208 
1 1 1 10  -10 25 o 23.86436 6.765408  106.0067       92.98054 59.32615       
202.4888 118.4794       104.6679 24.50312 10.62970 23.22559 8.372128 1.277531 
13.53082 
1 1 1 10  -10 26 o 29.18101 7.030022  211.6960       98.57035 254.8933       
172.7001 190.8245       120.0442 30.82389 10.78918 27.53813 9.015452 3.285757 
14.06004 
1 1 1 10  -10 27 o 39.22192 6.533718  468.0522       110.5870 226.5303       
204.8000 567.4576       131.3883 28.97242 11.43419 49.47142 6.325917 -20.49900 
13.06744 
1 1 1 10  -10 28 o 38.24240 7.630421  393.3358       113.7655 555.2597       
234.7585 343.6378       130.0576 40.69802 12.52179 35.78677 8.723427 4.911255 
15.26084 
1 1 1 10  -10 29 o 59.43498 5.514255  888.2350       123.9262 1013.901       
233.7812 839.1222       146.1500 59.69054 9.328785 59.17942 5.882329 0.5111198 
11.02851 
1 1 1 10  -9  0  o 238.5905 6.867327  12252.06       617.6054 12531.42       
732.5092 11565.17       1148.608 243.8049 7.156351 233.3760 11.72294 10.42889 
13.73465 
1 1 1 10  -9  1  o 194.8552 5.902209  7861.455       397.2897 7744.966       
447.1966 8297.713       865.4244 191.8244 5.552848 197.8860 10.41682 -6.061615 
11.80442 
1 1 1 10  -9  2  f 186.1093 6.593569  7329.065       515.1089 7386.374       
723.8727 7270.275       733.1643 186.8616 9.227059 185.3569 9.421357 1.504608 
13.18714 
1 1 1 10  -9  3  o 74.07135 4.253527  1157.343       129.4442 1147.862       
204.9382 1163.637       166.9658 73.79167 6.615103 74.35102 5.348866 
-0.5593491     8.507053 
1 1 1 10  -9  4  o 147.4644 4.822331  4592.587       297.0043 4646.489       
401.4607 4527.416       441.4342 148.4595 6.441039 146.4692 7.178616 1.990341 
9.644662 
1 1 1 10  -9  5  o 78.92857 4.583260  1299.972       150.3467 1222.193       
196.8045 1408.983       232.9916 76.14156 6.156507 81.71558 6.791356 -5.574028 
9.166520 
1 1 1 10  -9  6  o 177.1261 5.422256  6630.928       399.9332 6609.587       
532.3544 6658.578       605.9471 176.8802 7.168739 177.3721 8.137115 
-0.4919281     10.84451 
1 1 1 10  -9  7  o 80.91090 4.466274  1355.386       147.7186 1495.312       
242.6784 1273.025       186.1843 84.12363 6.871226 77.69818 5.707596 6.425446 
8.932548 
1 1 1 10  -9  8  o 134.5630 5.114457  3828.090       267.2774 3843.611       
479.9701 3821.114       321.7866 134.5514 8.496637 134.5746 5.695423 
-0.2320862E-01 10.22891 
1 1 1 10  -9  9  o 117.9939 4.501296  2938.383       220.8432 2983.618       
337.5909 2904.543       291.9879 118.7298 6.772545 117.2580 5.931213 1.471878 
9.002592 
1 1 1 10  -9  10 o 56.13434 5.505157  669.8022       129.0808 669.0058       
192.3779 670.4543       174.0854 56.06868 8.172517 56.20000 7.378143 
-0.1313133     11.01031 
1 1 1 10  -9  11 o 54.44376 7.577569  630.6287       173.2036 0.000000       
0.000000 630.6287       173.2036 ?        ?        54.44376 7.577569 ? ? 
1 1 1 10  -9  12 o 64.48430 5.150369  905.0060       135.6785 685.0103       
195.4459 1109.641       188.4994 56.62656 8.221054 72.34203 6.206407 -15.71548 
10.30074 
1 1 1 10  -9  13 o 52.61597 5.642469  588.4497       119.3512 775.4520       
181.3180 445.4771       158.5418 60.35534 7.155602 44.87659 8.726234 15.47875 
11.28494 
1 1 1 10  -9  14 o 89.75746 4.640814  1672.652       171.9050 1916.531       
275.4536 1517.073       220.0072 94.94044 6.910639 84.57448 6.196103 10.36596 
9.281629 
1 1 1 10  -9  15 f 111.4798 4.950827  2700.390       217.6967 2469.643       
369.9097 2822.656       269.2640 107.4854 8.197235 115.4743 5.554104 -7.988907 
9.901653 
1 1 1 10  -9  16 o 68.84346 5.261120  1019.240       150.1718 950.6736       
226.3523 1073.147       200.7035 66.65841 8.088185 71.02851 6.730438 -4.370102 
10.52224 
1 1 1 10  -9  17 o 133.4431 5.333364  3828.811       287.2204 3749.613       
473.8174 3874.820       361.1360 131.9768 8.551348 134.9095 6.376013 -2.932755 
10.66673 
1 1 1 10  -9  18 o 61.57626 5.781270  815.8401       149.0846 861.2733       
220.5280 777.5993       202.3216 63.11810 8.322062 60.03442 8.027180 3.083679 
11.56254 
1 1 1 10  -9  19 o 92.59337 4.650540  1828.689       179.5467 1744.168       
238.1888 1939.915       273.2393 90.21998 6.288393 94.96676 6.853189 -4.746780 
9.301080 
1 1 1 10  -9  20 o 104.5138 4.831788  2361.012       210.4428 2373.448       
281.6481 2345.295       316.6374 105.0109 6.388422 104.0167 7.250707 0.9942017 
9.663575 
1 1 1 10  -9  21 o 64.13003 5.664206  891.1968       151.0645 1003.955       
234.0926 810.7313       197.7508 67.45952 8.265432 60.80054 7.746971 6.658981 
11.32841 
1 1 1 10  -9  22 o 87.34846 5.085080  1677.523       186.2860 1781.726       
266.2350 1577.572       260.7472 90.08856 7.039090 84.60836 7.340529 5.480202 
10.17016 
1 1 1 10  -9  23 o 24.85265 7.269257  67.83568       123.7776 26.51431       
167.3593 117.7306       183.9038 22.81598 9.775528 26.88932 10.76139 -4.073343 
14.53851 
1 1 1 10  -9  24 o 46.22894 6.525906  499.3177       111.2996 531.8539       
214.4377 487.3208       130.2122 45.68399 11.24196 46.77389 6.630850 -1.089897 
13.05181 
1 1 1 10  -9  25 o 64.53490 5.144159  1013.973       122.9054 786.7812       
217.5018 1120.549       148.9695 57.45660 9.016627 71.61321 4.954790 -14.15662 
10.28832 
1 1 1 10  -9  26 f 41.66388 6.327637  419.2089       101.0832 472.4328       
182.0152 395.4730       121.5507 42.50570 10.29411 40.82205 7.361200 1.683647 
12.65527 
1 1 1 10  -9  27 f 24.76484 6.798943  137.5818       99.05199 48.20467       
199.2037 166.9384       114.1661 23.53675 10.37323 25.99294 8.791955 -2.456186 
13.59789 
1 1 1 10  -9  28 o 24.11381 6.435205  131.0292       104.9474 -190.1143      
224.3171 221.0211       118.7448 19.27007 9.292583 28.95756 8.904793 -9.687487 
12.87041 
1 1 1 10  -9  29 o 39.93210 7.207073  470.2697       114.8059 455.0766       
231.9075 475.2019       132.1333 35.91742 12.50920 43.94678 7.161540 -8.029362 
14.41415 
1 1 1 10  -9  30 o 22.18037 6.819642  109.3512       116.4446 99.20902       
194.5494 115.0128       145.3566 22.39272 10.02518 21.96802 9.248020 0.4246941 
13.63928 
1 1 1 10  -8  0  o 362.0106 11.36145  27943.86       1600.440 27789.40       
1929.346 28284.63       2865.759 361.6858 12.70574 362.3354 18.83866 
-0.6496582     22.72291 
1 1 1 10  -8  1  o 192.6850 6.175589  7916.586       478.8611 8124.010       
601.7775 7558.501       790.6793 196.3277 7.300886 189.0423 9.962363 7.285324 
12.35118 
1 1 1 10  -8  2  o 566.8455 18.73230  70926.65       4413.985 69358.92       
5824.070 73042.41       6765.906 561.4479 24.70804 572.2431 28.16219 -10.79523 
37.46460 
1 1 1 10  -8  3  o 171.5724 5.945797  6215.315       428.2745 6286.232       
607.8101 6145.388       603.5555 172.5466 8.390399 170.5983 8.426815 1.948242 
11.89159 
1 1 1 10  -8  4  o 149.0218 5.367953  4667.413       334.3460 4506.171       
448.9233 4868.258       501.0295 146.1696 7.315368 151.8739 7.857804 -5.704330 
10.73591 
1 1 1 10  -8  5  o 153.5726 5.902278  4913.643       374.5154 4615.631       
482.3607 5365.972       594.2676 147.8595 7.770410 159.2857 8.886410 -11.42624 
11.80456 
1 1 1 10  -8  6  o 120.1434 4.296698  3023.320       215.5090 3207.983       
325.9036 2879.826       287.2874 123.3672 6.292315 116.9195 5.852626 6.447731 
8.593396 
1 1 1 10  -8  7  o 361.3024 14.05991  28610.39       2127.578 28070.00       
2899.197 29241.04       3131.968 358.0779 19.28507 364.5269 20.46486 -6.448944 
28.11982 
1 1 1 10  -8  8  o 82.10513 4.628910  1430.517       158.6627 1282.439       
227.4846 1570.786       221.4047 77.91648 6.954146 86.29379 6.111227 -8.377304 
9.257820 
1 1 1 10  -8  9  o 95.07399 4.692380  1908.012       187.1523 2017.193       
268.9561 1805.519       260.5888 97.71568 6.555990 92.43230 6.715110 5.283386 
9.384760 
1 1 1 10  -8  10 o 196.4811 6.609076  8153.972       533.5739 7889.273       
682.6194 8569.710       855.4850 192.6867 8.438163 200.2755 10.17433 -7.588730 
13.21815 
1 1 1 10  -8  11 o 63.87837 4.842374  864.5554       129.8191 834.9023       
182.8999 894.6616       184.2918 62.76648 6.940756 64.99026 6.754276 -2.223789 
9.684748 
1 1 1 10  -8  12 o 63.87197 4.808523  863.4527       128.3511 885.6630       
191.9267 845.4831       172.6340 64.58542 7.078185 63.15852 6.510519 1.426895 
9.617045 
1 1 1 10  -8  13 o 89.25372 6.506262  1690.474       243.8017 1690.474       
243.8017 0.000000       0.000000 89.25372 6.506262 ?        ?        ? ? 
1 1 1 10  -8  14 o 200.6375 8.509807  8737.412       712.4851 9221.852       
1078.780 8362.613       948.8842 205.2265 12.52047 196.0485 11.52845 9.178055 
17.01961 
1 1 1 10  -8  15 o 151.8412 6.066592  4914.591       372.7427 5017.290       
617.6766 4855.772       467.4513 152.6965 9.635032 150.9859 7.374302 1.710602 
12.13318 
1 1 1 10  -8  16 o 34.24744 7.677154  251.4184       123.7288 240.8089       
173.7045 262.3452       176.2819 33.66459 10.83620 34.83031 10.87803 -1.165722 
15.35431 
1 1 1 10  -8  17 o 105.4661 4.838437  2375.655       210.7790 2317.241       
326.5457 2417.376       275.9695 104.2147 7.463391 106.7175 6.159518 -2.502792 
9.676873 
1 1 1 10  -8  18 o 137.0802 6.003372  4040.461       344.8127 3979.644       
471.5125 4110.374       505.5417 136.0656 8.254029 138.0948 8.719686 -2.029205 
12.00674 
1 1 1 10  -8  19 f 68.97705 5.171030  1006.317       148.3028 837.4884       
197.4585 1224.789       224.6207 62.39307 7.538079 75.56104 7.080646 -13.16796 
10.34206 
1 1 1 10  -8  20 o 97.16200 5.087240  2032.593       206.6564 2297.252       
299.1454 1790.983       285.8223 103.3067 6.897232 91.01730 7.479855 12.28939 
10.17448 
1 1 1 10  -8  21 o 52.99120 6.338789  637.5352       134.6999 482.5125       
190.9260 791.1642       190.0658 45.65346 10.21808 60.32893 7.504115 -14.67546 
12.67758 
1 1 1 10  -8  22 o 99.64817 4.985337  2156.294       205.4236 2119.977       
267.4839 2208.513       320.7399 98.93221 6.439928 100.3641 7.611942 -1.431931 
9.970674 
1 1 1 10  -8  23 o 71.67577 4.701931  1046.698       121.0544 1280.738       
256.5375 979.6566       137.3022 75.78982 8.062340 67.56171 4.840587 8.228111 
9.403861 
1 1 1 10  -8  24 o 41.41161 6.777434  365.5125       99.39813 509.4466       
216.1279 326.9022       111.9388 45.08430 11.40426 37.73892 7.326482 7.345379 
13.55487 
1 1 1 10  -8  25 o 36.67930 6.581835  250.3801       102.2921 592.0460       
192.7885 116.5007       120.6805 49.31721 9.655475 24.04139 8.947291 25.27582 
13.16367 
1 1 1 10  -8  26 o 38.45287 6.759989  385.0211       103.5915 309.0374       
203.1852 411.7089       120.4173 34.25282 11.72905 42.65291 6.724520 -8.400089 
13.51998 
1 1 1 10  -8  27 o 47.40804 6.186161  487.2581       107.9039 740.6856       
213.4112 400.2190       125.0683 53.93597 9.784902 40.88011 7.571661 13.05586 
12.37232 
1 1 1 10  -8  28 o 38.45407 7.500498  382.8753       112.7340 471.1991       
228.5878 354.4888       129.5898 39.43689 12.40129 37.47125 8.440256 1.965645 
15.00100 
1 1 1 10  -8  29 o 26.83065 7.028245  196.7553       109.1913 29.31255       
237.9727 241.4086       122.8913 23.64351 10.77676 30.01778 9.024760 -6.374269 
14.05649 
1 1 1 10  -8  30 o 42.52094 6.416357  480.4767       99.66071 539.2246       
198.8921 460.7811       115.1613 41.20514 11.20376 43.83675 6.257331 -2.631615 
12.83271 
1 1 1 10  -8  31 o 33.32894 7.942687  386.1661       125.5841 434.1157       
256.9883 371.1233       143.9416 31.67177 12.70214 34.98611 9.539430 -3.314342 
15.88537 
1 1 1 10  -7  0  o 288.6442 14.26048  17728.55       1728.128 0.000000       
0.000000 17728.55       1728.128 ?        ?        288.6442 14.26048 ? ? 
1 1 1 10  -7  1  o 308.7184 13.99130  20274.66       1813.426 0.000000       
0.000000 20274.66       1813.426 ?        ?        308.7184 13.99130 ? ? 
1 1 1 10  -7  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -7  3  o 435.2934 22.92042  41303.46       4188.742 0.000000       
0.000000 41303.46       4188.742 ?        ?        435.2934 22.92042 ? ? 
1 1 1 10  -7  4  o 354.6547 19.08648  27144.20       2841.911 0.000000       
0.000000 27144.20       2841.911 ?        ?        354.6547 19.08648 ? ? 
1 1 1 10  -7  5  o 385.6915 21.29232  32391.82       3447.799 0.000000       
0.000000 32391.82       3447.799 ?        ?        385.6915 21.29232 ? ? 
1 1 1 10  -7  6  o 278.1125 8.495616  16417.42       973.9402 16300.67       
1261.146 16589.95       1533.041 277.2184 10.83589 279.0066 13.08761 -1.788208 
16.99123 
1 1 1 10  -7  7  o 203.3531 7.593758  8807.292       645.0486 8443.218       
949.2820 9119.604       879.2148 199.3046 11.34486 207.4016 10.09727 -8.097061 
15.18752 
1 1 1 10  -7  8  o 146.0868 4.883686  4560.430       290.6726 4251.355       
462.6580 4761.985       373.6161 141.8451 7.769027 150.3284 5.919778 -8.483307 
9.767372 
1 1 1 10  -7  9  f 169.1667 5.089934  6040.951       361.3518 5854.232       
502.7394 6240.513       519.7418 166.4653 7.193501 171.8681 7.203002 -5.402786 
10.17987 
1 1 1 10  -7  10 o 108.3542 4.673892  2492.473       208.8886 2409.637       
324.4489 2551.119       272.9957 106.7418 7.239904 109.9667 5.913110 -3.224861 
9.347785 
1 1 1 10  -7  11 o 43.67913 6.141994  410.1130       107.9208 504.8093       
166.5738 341.6084       141.6772 48.03636 8.567677 39.32191 8.802914 8.714447 
12.28399 
1 1 1 10  -7  12 o 161.4347 6.690213  5551.791       443.5315 5499.913       
569.8060 5631.545       706.5070 160.7603 8.442465 162.1092 10.38078 -1.348877 
13.38043 
1 1 1 10  -7  13 o 27.03571 6.846338  133.8262       100.0308 75.97821       
156.1905 174.0530       130.2471 25.14122 9.965409 28.93020 9.390421 -3.788973 
13.69268 
1 1 1 10  -7  14 o 120.1569 7.458563  3073.885       376.2555 0.000000       
0.000000 3073.885       376.2555 ?        ?        120.1569 7.458563 ? ? 
1 1 1 10  -7  15 o 111.7478 5.483242  2652.833       256.6123 2835.984       
379.5777 2498.666       348.2516 115.2633 7.843874 108.2323 7.664032 7.031021 
10.96648 
1 1 1 10  -7  16 o 99.91959 5.266994  2121.803       220.5952 2221.545       
323.3593 2034.973       301.7028 102.0914 7.544268 97.74774 7.351799 4.343681 
10.53399 
1 1 1 10  -7  17 o 269.7019 11.52911  16395.41       1302.672 16026.51       
1889.250 16729.77       1798.605 266.1165 16.90981 273.2873 15.67608 -7.170776 
23.05821 
1 1 1 10  -7  18 o 103.1683 5.345136  2271.203       231.4232 2236.454       
321.8401 2308.406       333.0094 102.3676 7.488564 103.9690 7.629108 -1.601349 
10.69027 
1 1 1 10  -7  19 o 104.7499 4.374781  2330.807       188.5473 2313.400       
243.2019 2357.032       298.5097 104.4003 5.548637 105.0996 6.765165 
-0.6993256     8.749562 
1 1 1 10  -7  20 o 70.92799 5.113431  1071.919       151.1826 1009.906       
200.0568 1154.486       230.8415 68.61986 6.944238 73.23614 7.507747 -4.616280 
10.22686 
1 1 1 10  -7  21 o 74.67184 5.213244  1205.973       163.1300 1216.292       
224.6000 1194.451       237.3270 75.08141 7.125222 74.26227 7.612020 0.8191452 
10.42649 
1 1 1 10  -7  22 o 77.32419 4.944355  1307.832       158.4745 1513.117       
221.6049 1092.969       226.7162 83.82272 6.297071 70.82565 7.624530 12.99708 
9.888709 
1 1 1 10  -7  23 o 47.84635 5.517298  425.7419       98.46094 738.7469       
198.9464 324.2048       113.3111 57.78800 8.200105 37.90470 7.383806 19.88330 
11.03460 
1 1 1 10  -7  24 o 24.94754 6.359871  106.2253       100.3821 -118.1712      
175.6535 215.0513       122.3250 19.45498 9.017415 30.44009 8.970958 -10.98511 
12.71974 
1 1 1 10  -7  25 o 49.07481 6.490786  657.7474       106.7249 400.7481       
216.2411 740.5089       122.7119 39.65228 11.98147 58.49734 4.996564 -18.84506 
12.98157 
1 1 1 10  -7  26 o 57.28133 5.497670  800.1649       110.9538 655.7619       
204.9088 860.0670       131.9756 51.72844 9.791265 62.83421 5.002861 -11.10577 
10.99534 
1 1 1 10  -7  27 o 30.87929 6.821171  249.7857       94.22910 155.1261       
207.0352 274.5174       105.8252 27.89132 11.31163 33.86726 7.626306 -5.975943 
13.64234 
1 1 1 10  -7  28 o 39.31699 6.937731  435.6288       111.9199 299.0303       
220.5068 483.0298       129.8950 32.83824 12.11962 45.79575 6.755982 -12.95751 
13.87546 
1 1 1 10  -7  29 o 20.38201 6.600348  -24.53641      106.6039 48.55559       
223.7448 -46.00163      121.2511 24.11144 10.77400 16.65258 7.627540 7.458864 
13.20070 
1 1 1 10  -7  30 o 25.91269 6.570813  183.5410       94.06557 63.42051       
192.5842 221.1775       107.7994 22.85448 10.11946 28.97090 8.384446 -6.116413 
13.14163 
1 1 1 10  -7  31 o 61.96091 5.144408  914.5253       122.0306 1128.985       
231.3027 831.8090       143.6490 64.72659 8.511752 59.19522 5.780121 5.531368 
10.28882 
1 1 1 10  -6  0  f 259.6856 13.01935  14306.83       1419.437 14306.83       
1419.437 0.000000       0.000000 259.6856 13.01935 ?        ?        ? ? 
1 1 1 10  -6  1  o 440.1940 16.42022  41371.53       3034.604 41371.53       
3034.604 0.000000       0.000000 440.1940 16.42022 ?        ?        ? ? 
1 1 1 10  -6  2  o 195.4562 10.60810  8077.839       870.4944 8077.839       
870.4944 0.000000       0.000000 195.4562 10.60810 ?        ?        ? ? 
1 1 1 10  -6  3  o 330.5081 13.21354  23196.31       1833.496 23196.31       
1833.496 0.000000       0.000000 330.5081 13.21354 ?        ?        ? ? 
1 1 1 10  -6  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -6  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -6  6  o 225.5459 12.61473  10811.18       1194.515 0.000000       
0.000000 10811.18       1194.515 ?        ?        225.5459 12.61473 ? ? 
1 1 1 10  -6  7  o 257.8102 10.98602  14094.64       1189.103 0.000000       
0.000000 14094.64       1189.103 ?        ?        257.8102 10.98602 ? ? 
1 1 1 10  -6  8  o 143.1449 5.626624  4315.868       337.5961 4143.839       
461.6413 4513.630       494.9648 140.0978 7.848639 146.1920 8.064394 -6.094208 
11.25325 
1 1 1 10  -6  9  o 139.2623 5.651175  3991.930       317.5742 4478.184       
540.7955 3735.986       392.3496 145.4614 8.855360 133.0631 7.023226 12.39832 
11.30235 
1 1 1 10  -6  10 o 228.9608 9.315597  11230.62       895.2695 10903.15       
1256.802 11567.97       1275.612 225.5381 13.27296 232.3836 13.07478 -6.845505 
18.63119 
1 1 1 10  -6  11 o 164.4158 6.441323  5733.398       444.2082 5886.697       
645.2800 5595.316       612.4179 166.4768 9.232419 162.3547 8.984711 4.122116 
12.88265 
1 1 1 10  -6  12 o 163.9600 7.277402  5575.306       470.9698 5276.583       
568.8433 6226.386       839.7993 157.5988 8.597274 170.3211 11.74433 -12.72231 
14.55480 
1 1 1 10  -6  13 o 78.62933 4.758291  1309.810       155.9397 1302.982       
234.7235 1315.205       208.6381 78.40422 7.130799 78.85444 6.302147 
-0.4502182     9.516582 
1 1 1 10  -6  14 o 75.16628 4.779308  1185.223       149.5931 1297.832       
229.9902 1102.647       196.9461 78.19893 7.005346 72.13364 6.503252 6.065292 
9.558617 
1 1 1 10  -6  15 o 151.5117 6.198315  4877.168       377.1702 4789.235       
467.7822 5040.551       637.6348 149.9873 7.428654 153.0360 9.924291 -3.048660 
12.39663 
1 1 1 10  -6  16 o 42.34182 9.825635  401.1387       171.4422 401.1387       
171.4422 0.000000       0.000000 42.34182 9.825635 ?        ?        ? ? 
1 1 1 10  -6  17 o 111.1040 5.668290  2633.941       264.2596 2754.676       
379.4491 2520.232       368.2419 113.5881 7.956858 108.6198 8.075052 4.968353 
11.33658 
1 1 1 10  -6  18 o 37.10732 7.505547  288.7836       127.5070 435.5497       
192.2384 173.4983       170.3783 44.02916 10.52682 30.18549 10.70135 13.84366 
15.01109 
1 1 1 10  -6  19 o 67.98854 5.312379  991.3840       150.4353 1027.877       
202.8112 946.7465       224.3041 69.46779 6.953916 66.50929 8.032966 2.958496 
10.62476 
1 1 1 10  -6  20 o 158.2247 6.524548  5339.184       433.4147 5339.184       
433.4147 0.000000       0.000000 158.2247 6.524548 ?        ?        ? ? 
1 1 1 10  -6  21 o 66.92471 5.128323  972.8591       142.3414 817.1147       
203.8954 1120.921       198.8033 61.49803 7.897095 72.35140 6.544819 -10.85337 
10.25665 
1 1 1 10  -6  22 o 112.3883 5.441864  2739.522       256.4501 2724.802       
353.5939 2755.858       372.4941 112.1571 7.509293 112.6194 7.878202 
-0.4623337     10.88373 
1 1 1 10  -6  23 o 68.25420 5.351172  1097.226       130.9202 846.3122       
245.9150 1196.471       154.6597 61.62682 9.504654 74.88158 4.919525 -13.25476 
10.70234 
1 1 1 10  -6  24 o 84.92093 4.347696  1559.766       146.7888 1569.151       
251.5250 1554.918       180.7643 84.68959 7.074117 85.15227 5.056355 
-0.4626770     8.695393 
1 1 1 10  -6  25 o 28.68794 6.995753  175.8772       95.55473 194.4653       
178.5047 168.4114       113.1283 30.09316 10.92488 27.28272 8.741241 2.810442 
13.99151 
1 1 1 10  -6  26 o 41.00900 6.266309  422.7942       99.74538 320.5682       
178.1993 469.4359       120.3684 35.87579 10.88389 46.14220 6.213482 -10.26641 
12.53262 
1 1 1 10  -6  27 o 35.16468 5.954401  347.9265       97.80355 75.98033       
176.4193 468.5909       117.5152 24.41908 10.22976 45.91029 6.096846 -21.49121 
11.90880 
1 1 1 10  -6  28 o 39.83467 6.636911  374.7450       98.75575 461.5781       
195.0815 344.8250       114.5128 41.56670 11.00401 38.10263 7.423343 3.464069 
13.27382 
1 1 1 10  -6  29 o 76.20692 5.399199  1341.700       144.2393 1440.447       
302.0664 1312.535       164.1645 75.53149 9.525668 76.88235 5.085968 -1.350868 
10.79840 
1 1 1 10  -6  30 f 23.29453 6.859918  62.51443       105.6408 214.4164       
189.5732 -5.901972      127.2258 28.38442 11.05176 18.20463 8.129734 10.17979 
13.71984 
1 1 1 10  -6  31 f 40.24482 6.810620  444.6461       104.5913 466.0751       
208.3446 437.4261       120.9342 37.88708 11.82464 42.60256 6.761367 -4.715485 
13.62124 
1 1 1 10  -6  32 o 25.49299 7.268157  203.2575       123.6762 109.8951       
232.2106 240.2289       146.1264 23.35382 10.64493 27.63215 9.898986 -4.278336 
14.53631 
1 1 1 10  -5  0  o 243.5427 7.236134  12644.37       718.8137 12020.06       
1147.298 13047.79       922.2662 238.3542 11.46501 248.7311 8.831759 -10.37686 
14.47227 
1 1 1 10  -5  1  o 198.0370 5.082373  8257.680       422.4661 8226.299       
590.6440 8290.551       604.5118 197.6578 7.117589 198.4163 7.256857 
-0.7584534     10.16475 
1 1 1 10  -5  2  o 137.0867 4.427896  3958.086       239.8865 3943.447       
416.3094 3965.363       293.5132 136.8410 7.246377 137.3323 5.090683 
-0.4912415     8.855791 
1 1 1 10  -5  3  o 233.5739 8.216574  11559.00       804.9585 11230.05       
1152.946 11871.84       1124.359 230.2769 11.92558 236.8708 11.30614 -6.593903 
16.43315 
1 1 1 10  -5  4  o 521.9915 17.62821  59445.83       3860.348 58882.89       
5347.097 60058.65       5578.998 519.7489 24.50448 524.2340 25.34849 -4.485107 
35.25642 
1 1 1 10  -5  5  o 383.3343 13.03942  31194.14       2098.529 31194.14       
2098.529 0.000000       0.000000 383.3343 13.03942 ?        ?        ? ? 
1 1 1 10  -5  6  o 266.7961 12.48221  15104.48       1398.138 15104.48       
1398.138 0.000000       0.000000 266.7961 12.48221 ?        ?        ? ? 
1 1 1 10  -5  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -5  8  o 259.1153 10.03520  14210.21       1091.687 0.000000       
0.000000 14210.21       1091.687 ?        ?        259.1153 10.03520 ? ? 
1 1 1 10  -5  9  o 37.12163 6.981548  310.4617       114.7719 188.7045       
175.4418 401.5525       151.7480 31.42499 10.88640 42.81826 8.743817 -11.39327 
13.96310 
1 1 1 10  -5  10 o 72.94220 5.004654  1108.814       152.3144 986.1293       
202.6940 1267.954       230.8529 68.36513 7.061993 77.51927 7.093274 -9.154144 
10.00931 
1 1 1 10  -5  11 o 23.51954 6.834256  38.74270       107.7737 52.38366       
142.1095 20.27613       165.3461 23.38291 9.417473 23.65615 9.906535 
-0.2732410     13.66851 
1 1 1 10  -5  12 o 111.3687 4.894366  2625.003       223.1613 2601.337       
356.6908 2640.224       286.0643 110.8733 7.662772 111.8641 6.091077 
-0.9907303     9.788733 
1 1 1 10  -5  13 o 124.6444 5.145836  3222.351       264.2347 3629.924       
425.2611 2966.046       337.2339 130.8633 7.740320 118.4255 6.782771 12.43781 
10.29167 
1 1 1 10  -5  14 o 59.88766 5.743163  747.5190       142.2252 847.5806       
226.0075 681.9125       183.0047 63.10194 8.531026 56.67339 7.691377 6.428551 
11.48633 
1 1 1 10  -5  15 o 115.2635 5.344174  2825.700       258.5008 2802.355       
370.1699 2847.920       361.1476 114.7742 7.682062 115.7527 7.431468 
-0.9784851     10.68835 
1 1 1 10  -5  16 o 151.7790 6.155331  4906.335       374.4854 4848.549       
464.0681 5014.214       634.0728 150.9317 7.323561 152.6263 9.895345 -1.694534 
12.31066 
1 1 1 10  -5  17 o 92.69070 7.923826  1834.697       308.3543 0.000000       
0.000000 1834.697       308.3543 ?        ?        92.69070 7.923826 ? ? 
1 1 1 10  -5  18 o 39.37586 7.792399  339.3551       136.5918 446.2900       
199.5278 245.0413       187.3836 44.54966 10.77098 34.20207 11.26374 10.34759 
15.58480 
1 1 1 10  -5  19 o 148.1906 5.140953  4737.174       305.5182 4892.510       
383.2429 4466.331       506.0544 151.9059 6.009254 144.4753 8.343048 7.430634 
10.28191 
1 1 1 10  -5  20 f 125.8202 4.927213  3340.062       243.4875 3279.547       
294.9423 3469.560       431.4557 124.3719 5.648534 127.2685 8.074885 -2.896568 
9.854425 
1 1 1 10  -5  21 o 92.84666 5.139159  1820.196       198.6596 2178.131       
300.7952 1543.279       264.5720 100.8668 7.103033 84.82655 7.429048 16.04023 
10.27832 
1 1 1 10  -5  22 o 81.19509 4.885854  1403.290       165.7667 1270.253       
222.0579 1570.742       249.1299 76.89751 6.878204 85.49268 6.940935 -8.595169 
9.771708 
1 1 1 10  -5  23 o 83.57643 4.696568  1543.703       152.9899 1391.894       
264.2760 1620.222       187.6262 79.97458 7.870945 87.17829 5.126326 -7.203712 
9.393135 
1 1 1 10  -5  24 o 144.0392 4.671317  4400.479       249.6859 4692.276       
489.2170 4297.696       290.3494 146.2024 7.970179 141.8761 4.874530 4.326309 
9.342633 
1 1 1 10  -5  25 o 75.79728 4.518675  1250.405       134.6317 1249.910       
235.3411 1250.646       164.1442 75.30583 7.443723 76.28873 5.124909 
-0.9828949     9.037351 
1 1 1 10  -5  26 o 84.38038 4.319298  1611.673       144.5218 1364.006       
235.8924 1760.497       182.8587 78.36191 7.170180 90.39885 4.818077 -12.03694 
8.638597 
1 1 1 10  -5  27 o 24.50217 7.003203  97.29740       106.0925 27.50891       
205.7946 122.5584       123.8134 24.47700 10.66822 24.52734 9.075711 
-0.5033302E-01 14.00641 
1 1 1 10  -5  28 o 43.90208 6.502164  531.4004       111.8217 303.8506       
195.7609 641.6057       136.2351 34.14356 11.51277 53.66059 6.047204 -19.51702 
13.00433 
1 1 1 10  -5  29 o 37.39470 6.321213  414.0426       101.1036 162.0435       
201.2235 499.1436       116.9355 27.64793 11.17688 47.14147 5.908326 -19.49354 
12.64243 
1 1 1 10  -5  30 o 26.44877 7.395492  143.6507       109.5785 232.7822       
213.3532 111.7148       127.7096 29.73944 11.69154 23.15811 9.059864 6.581324 
14.79098 
1 1 1 10  -5  31 o 24.25251 6.682851  99.54568       93.89500 254.0188       
171.0332 32.90487       112.3373 29.86586 10.70841 18.63917 7.998241 11.22668 
13.36570 
1 1 1 10  -5  32 o 24.38088 7.358491  129.5783       120.9897 222.4817       
230.8888 94.41075       142.0555 27.07890 11.53800 21.68286 9.135875 5.396044 
14.71698 
1 1 1 10  -5  33 o 25.19669 7.453467  200.8558       134.8390 52.47129       
293.7886 240.4544       151.7682 23.06293 11.00185 27.33044 10.05862 -4.267504 
14.90693 
1 1 1 10  -4  0  o 181.4846 4.373477  6725.388       309.6525 6402.373       
370.2332 7477.362       564.8911 174.5124 5.053244 188.4568 7.139602 -13.94444 
8.746954 
1 1 1 10  -4  1  o 244.9609 6.188766  11987.93       469.4344 11686.47       
510.0194 13659.16       1200.845 235.7670 5.152579 254.1547 11.25408 -18.38763 
12.37753 
1 1 1 10  -4  2  o 259.4464 7.013890  13620.76       380.0601 13533.15       
392.7674 14909.26       1506.329 253.8063 3.685989 265.0864 13.53485 -11.28011 
14.02778 
1 1 1 10  -4  3  o 143.8955 4.179026  4042.924       140.7145 3982.960       
146.5966 4745.477       501.7875 137.7195 2.535417 150.0714 7.964213 -12.35190 
8.358051 
1 1 1 10  -4  4  o 186.2680 5.137278  7304.949       401.6949 7155.723       
563.5655 7459.057       572.7095 184.3334 7.282182 188.2026 7.248194 -3.869232 
10.27456 
1 1 1 10  -4  5  o 254.9706 8.420200  13748.78       898.5995 13537.56       
1219.906 13999.35       1328.673 252.9098 11.48899 257.0314 12.31269 -4.121628 
16.84040 
1 1 1 10  -4  6  o 213.4353 6.720235  9614.591       561.6580 9629.411       
993.0607 9607.619       681.0522 213.3326 11.08765 213.5380 7.596723 
-0.2053833     13.44047 
1 1 1 10  -4  7  o 463.5160 21.56051  46528.87       4195.684 46528.87       
4195.684 0.000000       0.000000 463.5160 21.56051 ?        ?        ? ? 
1 1 1 10  -4  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -4  9  o 115.1459 6.465837  2792.544       312.5735 0.000000       
0.000000 2792.544       312.5735 ?        ?        115.1459 6.465837 ? ? 
1 1 1 10  -4  10 o 127.2941 4.279866  3441.746       225.4772 3611.260       
299.3476 3219.454       342.7964 130.9876 5.443356 123.6006 6.605973 7.386971 
8.559731 
1 1 1 10  -4  11 o 154.1992 5.665598  5048.664       349.6758 5107.866       
434.8822 4940.380       588.1506 155.6394 6.655384 152.7590 9.170707 2.880417 
11.33120 
1 1 1 10  -4  12 o 134.3719 5.526329  3781.112       282.2972 3903.415       
529.7822 3732.616       333.6032 135.6756 9.300723 133.0682 5.971414 2.607407 
11.05266 
1 1 1 10  -4  13 o 58.97040 5.486391  731.2819       134.0682 909.5365       
198.1561 580.7999       182.0663 65.58902 7.196103 52.35178 8.283600 13.23724 
10.97278 
1 1 1 10  -4  14 o 232.6212 8.048317  11591.05       756.3246 11559.98       
948.6307 11645.25       1253.004 232.8609 9.703349 232.3816 12.84316 0.4793549 
16.09663 
1 1 1 10  -4  15 o 30.97090 7.737154  179.9467       127.8941 107.4727       
193.8607 235.7981       170.1828 28.48172 11.15829 33.46007 10.72133 -4.978352 
15.47431 
1 1 1 10  -4  16 o 71.44805 4.855802  1076.796       145.0168 1151.598       
217.8171 1017.242       194.3523 73.64288 7.045022 69.25322 6.684527 4.389664 
9.711603 
1 1 1 10  -4  17 o 67.84459 5.477934  977.3237       155.6630 1072.070       
228.2941 894.9996       212.8027 70.91513 7.667906 64.77406 7.825232 6.141075 
10.95587 
1 1 1 10  -4  18 o 172.4906 6.467833  6215.467       431.8255 5953.341       
514.0585 6843.878       795.9376 167.1769 7.324152 177.8043 10.66247 -10.62743 
12.93567 
1 1 1 10  -4  19 f 35.65742 9.724866  282.6764       149.5695 282.6764       
149.5695 0.000000       0.000000 35.65742 9.724866 ?        ?        ? ? 
1 1 1 10  -4  20 o 102.9048 4.541750  2167.491       189.2519 1963.039       
233.9294 2554.800       321.9715 96.24728 5.789185 109.5623 6.999666 -13.31505 
9.083501 
1 1 1 10  -4  21 o 81.04062 5.075433  1391.721       172.0295 1274.545       
231.5980 1535.948       256.9442 77.27096 7.139036 84.81028 7.216248 -7.539322 
10.15087 
1 1 1 10  -4  22 o 69.83691 5.365217  1050.348       156.9720 1085.482       
217.5132 1012.164       226.7592 71.12221 7.284529 68.55161 7.878949 2.570595 
10.73043 
1 1 1 10  -4  23 o 98.00150 4.775312  2081.974       185.5917 2007.426       
316.3098 2121.112       229.1892 96.26019 7.826849 99.74279 5.473105 -3.482597 
9.550625 
1 1 1 10  -4  24 o 50.88942 6.241809  537.3084       114.7514 671.8909       
231.7127 493.5760       132.0863 53.93249 10.61147 47.84634 6.575519 6.086143 
12.48362 
1 1 1 10  -4  25 o 65.69395 5.007008  1011.284       123.2578 761.3610       
214.2555 1134.911       150.6905 58.53657 8.718180 72.85133 4.926851 -14.31475 
10.01402 
1 1 1 10  -4  26 f 72.22650 4.446215  1111.906       123.3262 1201.025       
229.0638 1075.529       146.3475 73.70333 7.402705 70.74967 4.926993 2.953659 
8.892429 
1 1 1 10  -4  27 o 66.83747 4.911361  1030.606       122.6943 899.0163       
223.8801 1087.093       146.6838 62.74921 8.498226 70.92574 4.926055 -8.176529 
9.822722 
1 1 1 10  -4  28 o 39.83671 7.200300  373.5434       105.2435 440.8332       
227.2404 355.1687       118.7466 40.67030 12.28108 39.00311 7.520136 1.667194 
14.40060 
1 1 1 10  -4  29 o 75.83952 5.096631  1373.976       142.7160 1182.061       
262.3092 1454.674       170.0951 70.22124 8.897461 81.45779 4.973707 -11.23656 
10.19326 
1 1 1 10  -4  30 o 22.55964 6.805260  -34.04595      101.5495 243.5259       
211.1045 -117.6129      115.8316 30.60196 11.71935 14.51733 6.921216 16.08464 
13.61052 
1 1 1 10  -4  31 o 51.93353 5.074435  600.5911       103.7459 759.2025       
189.0765 532.2678       124.0950 55.74122 8.079454 48.12583 6.141821 7.615395 
10.14887 
1 1 1 10  -4  32 o 25.65738 7.704670  144.1033       130.0884 182.7047       
264.6834 131.8090       149.3750 27.38059 12.01459 23.93417 9.648705 3.446424 
15.40934 
1 1 1 10  -4  33 o 17.77746 6.113984  -96.03611      120.5953 -313.5703      
294.2882 -52.13450      132.2054 19.16103 9.516999 16.39389 7.677886 2.767139 
12.22797 
1 1 1 10  -3  0  o 193.3081 2.919027  7814.574       221.5584 7747.767       
268.7205 7956.400       391.5354 192.0562 3.332680 194.5600 4.793342 -2.503845 
5.838054 
1 1 1 10  -3  1  o 229.7969 4.119559  10961.46       360.0582 10770.01       
425.0492 11447.89       677.5177 226.3805 4.472201 233.2133 6.919716 -6.832855 
8.239118 
1 1 1 10  -3  2  o 202.7295 3.531139  8620.574       299.4690 8855.937       
445.1991 8426.069       404.7159 205.2411 5.166674 200.2178 4.814692 5.023270 
7.062279 
1 1 1 10  -3  3  o 194.0908 3.010577  7942.885       236.4316 7814.640       
388.8200 8018.125       297.8178 192.8161 4.803154 195.3656 3.630979 -2.549484 
6.021154 
1 1 1 10  -3  4  o 259.0526 3.729430  13785.11       337.4944 14699.27       
726.2563 13533.33       381.1489 264.2909 6.545289 253.8143 3.576841 10.47656 
7.458860 
1 1 1 10  -3  5  o 80.00691 3.373081  1205.338       102.3825 1044.294       
118.3270 1685.028       204.2176 70.49855 3.997834 89.51527 5.433969 -19.01672 
6.746161 
1 1 1 10  -3  6  o 339.7120 12.09543  24677.42       1722.871 24289.15       
2488.466 25034.87       2387.674 336.9716 17.58974 342.4524 16.60718 -5.480713 
24.19085 
1 1 1 10  -3  7  o 195.4271 7.048421  8070.182       578.0093 8372.403       
817.9443 7768.722       816.9138 199.1052 9.785029 191.7490 10.14762 7.356201 
14.09684 
1 1 1 10  -3  8  o 171.5999 9.397050  6218.017       676.9982 6218.017       
676.9982 0.000000       0.000000 171.5999 9.397050 ?        ?        ? ? 
1 1 1 10  -3  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -3  10 o 77.78699 4.531312  1288.035       146.2753 1400.498       
198.3816 1154.044       216.5378 81.57122 5.792759 74.00277 6.969582 7.568451 
9.062623 
1 1 1 10  -3  11 o 137.0761 5.279013  3955.330       303.4568 4156.354       
442.0873 3776.224       417.2908 140.3590 7.502202 133.7932 7.428921 6.565811 
10.55803 
1 1 1 10  -3  12 f 200.9471 8.154426  8588.873       685.6843 8632.261       
1012.505 8552.116       931.9086 201.3085 11.97999 200.5856 11.06610 0.7228699 
16.30885 
1 1 1 10  -3  13 o 88.83741 4.940880  1667.409       181.4110 1660.339       
282.1999 1672.388       236.8303 88.63091 7.583901 89.04391 6.335110 
-0.4129944     9.881760 
1 1 1 10  -3  14 o 104.0137 5.009232  2291.886       217.8521 2230.925       
320.4875 2344.250       297.0271 102.6881 7.433820 105.3394 6.716245 -2.651245 
10.01846 
1 1 1 10  -3  15 o 72.18839 4.998013  1101.204       150.9644 1127.461       
223.9617 1079.339       204.3722 72.95410 7.312150 71.42268 6.815641 1.531418 
9.996025 
1 1 1 10  -3  16 o 82.39197 4.695276  1446.828       161.0530 1354.544       
239.0866 1523.488       217.9102 79.91595 7.125952 84.86798 6.115820 -4.952034 
9.390552 
1 1 1 10  -3  17 o 58.06351 6.135112  750.1532       141.4906 591.9988       
209.4622 882.8807       191.8869 51.66361 10.01442 64.46342 7.090113 -12.79980 
12.27022 
1 1 1 10  -3  18 o 167.5764 6.188734  6121.785       396.4005 5752.074       
717.8674 6283.968       475.4617 163.1364 10.48128 172.0165 6.583646 -8.880127 
12.37747 
1 1 1 10  -3  19 o 110.4223 5.184699  2605.022       238.8998 2679.166       
323.4472 2516.020       354.3782 112.2553 6.863058 108.5894 7.773214 3.665886 
10.36940 
1 1 1 10  -3  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -3  21 o 208.8040 7.430891  9457.946       647.1599 9357.714       
968.5845 9538.777       869.8077 207.4100 11.12318 210.1981 9.856339 -2.788101 
14.86178 
1 1 1 10  -3  22 o 106.8556 5.528027  2450.644       247.5736 2475.154       
341.3824 2423.452       359.5689 107.4923 7.564578 106.2188 8.063094 1.273499 
11.05605 
1 1 1 10  -3  23 o 27.98113 7.227973  140.5421       102.4537 154.3888       
193.4498 135.1442       120.7841 29.90985 11.28698 26.05241 9.032073 3.857447 
14.45595 
1 1 1 10  -3  24 o 62.07069 5.142796  793.7912       119.9173 921.6082       
235.0293 748.8062       139.4318 64.93143 8.621606 59.20995 5.609037 5.721485 
10.28559 
1 1 1 10  -3  25 o 148.9766 5.646396  4844.819       332.5565 4897.380       
576.2710 4818.575       407.2029 148.5440 9.240442 149.4093 6.491639 
-0.8652649     11.29279 
1 1 1 10  -3  26 o 89.87389 4.590653  1788.945       159.5445 1662.790       
281.6464 1848.556       193.6028 86.85976 7.723368 92.88801 4.964471 -6.028252 
9.181306 
1 1 1 10  -3  27 f 22.33935 6.385727  59.85701       96.91002 -196.6472      
211.4458 128.0655       109.0363 20.03927 9.462092 24.63943 8.577810 -4.600159 
12.77145 
1 1 1 10  -3  28 o 21.63501 6.590090  26.09549       100.2313 18.47891       
187.3216 29.15097       118.6444 23.42575 10.19399 19.84427 8.354626 3.581474 
13.18018 
1 1 1 10  -3  29 o 59.74265 5.511448  774.6837       117.8153 919.1931       
247.4232 732.3104       133.9795 61.82055 9.532979 57.66474 5.534125 4.155811 
11.02290 
1 1 1 10  -3  30 o 37.29538 6.838492  339.3866       101.3614 405.7805       
185.5207 311.1333       121.0215 38.93480 10.91389 35.65596 8.242996 3.278843 
13.67698 
1 1 1 10  -3  31 o 22.01595 6.676162  58.63548       104.1410 26.32347       
196.1104 71.32598       122.9017 22.84907 10.15232 21.18282 8.672655 1.666254 
13.35232 
1 1 1 10  -3  32 o 31.14099 8.169642  257.8608       125.4057 354.2894       
267.6947 230.7486       141.9448 33.11582 13.07156 29.16617 9.803399 3.949652 
16.33928 
1 1 1 10  -3  33 o 20.80998 6.736130  24.91544       114.1094 -2.575073      
249.5533 32.18264       128.3086 22.55322 10.56006 19.06674 8.365814 3.486485 
13.47226 
1 1 1 10  -3  34 o 18.66888 6.385676  -64.53864      111.2537 36.12659       
267.0461 -85.67964      122.3797 22.44205 10.61283 14.89571 7.104590 7.546339 
12.77135 
1 1 1 10  -2  0  o 719.7734 13.16062  110788.2       3939.621 110536.8       
5225.632 111119.3       5996.510 719.7487 17.29335 719.7982 19.84307 
-0.4949951E-01 26.32123 
1 1 1 10  -2  1  o 291.4601 5.744547  17921.50       697.9022 18107.78       
935.4952 17687.71       1048.029 293.2364 7.598796 289.6837 8.617284 3.552673 
11.48909 
1 1 1 10  -2  2  o 478.8778 7.379733  48403.69       1482.000 48952.48       
2153.068 47909.57       2042.992 481.3958 10.65311 476.3599 10.21533 5.035828 
14.75947 
1 1 1 10  -2  3  o 192.1043 3.307780  7612.080       242.3033 7420.081       
286.0234 8100.097       456.0046 187.9406 3.624950 196.2680 5.534020 -8.327469 
6.615561 
1 1 1 10  -2  4  o 371.2833 3.674513  28950.56       571.0021 28600.54       
775.3943 29365.25       843.9987 368.8544 5.007129 373.7122 5.379299 -4.857788 
7.349027 
1 1 1 10  -2  5  o 101.1179 2.208739  2147.557       93.75197 2146.452       
131.3860 2148.703       133.8181 101.0919 3.095662 101.1439 3.151346 
-0.5200195E-01 4.417477 
1 1 1 10  -2  6  o 294.0004 8.654788  16946.59       526.3544 16754.62       
543.0026 19933.99       2142.082 282.3414 4.580874 305.6594 16.69242 -23.31796 
17.30958 
1 1 1 10  -2  7  o 196.7255 6.796258  8217.261       551.3734 7903.373       
855.6310 8440.172       721.0475 193.3826 10.53877 200.0684 8.584330 -6.685776 
13.59252 
1 1 1 10  -2  8  o 211.9520 7.414361  9487.461       603.2798 9475.206       
719.8793 9516.370       1105.666 212.0186 8.087360 211.8854 12.42922 0.1331940 
14.82872 
1 1 1 10  -2  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -2  10 o 301.4294 14.92902  19380.84       1889.278 0.000000       
0.000000 19380.84       1889.278 ?        ?        301.4294 14.92902 ? ? 
1 1 1 10  -2  11 o 128.3583 4.379193  3470.981       235.8729 3560.633       
331.4948 3379.043       335.6943 130.0456 6.071585 126.6710 6.312305 3.374664 
8.758387 
1 1 1 10  -2  12 o 179.5015 7.198820  6754.628       532.8010 7203.683       
847.8547 6461.567       684.9383 184.2462 10.96084 174.7568 9.335520 9.489410 
14.39764 
1 1 1 10  -2  13 o 209.4472 8.160408  9319.179       715.9370 9598.429       
1054.539 9080.420       975.0967 212.2780 11.83256 206.6164 11.24097 5.661514 
16.32082 
1 1 1 10  -2  14 o 50.80126 5.977178  539.3811       122.2022 731.1433       
189.7076 403.3765       159.7644 58.80262 7.684383 42.79990 9.157339 16.00272 
11.95436 
1 1 1 10  -2  15 o 224.2836 9.093360  10644.35       822.9921 11447.88       
1388.551 10209.22       1021.812 230.0330 14.37782 218.5342 11.13711 11.49876 
18.18672 
1 1 1 10  -2  16 o 37.61888 7.026402  316.3154       117.6169 188.2465       
171.8110 429.2664       161.3520 31.11858 10.77384 44.11917 9.022504 -13.00059 
14.05280 
1 1 1 10  -2  17 o 36.04835 7.675436  279.0041       128.2873 356.9565       
182.4199 202.7284       180.4473 40.04387 10.65926 32.05283 11.04670 7.991047 
15.35087 
1 1 1 10  -2  18 o 115.6190 5.172462  2848.751       250.6157 2979.484       
349.9004 2711.030       359.1280 118.4043 7.038787 112.8337 7.581089 5.570679 
10.34492 
1 1 1 10  -2  19 o 117.5952 4.860746  2940.507       239.9736 2960.530       
339.3256 2920.473       339.4222 118.0011 6.849385 117.1893 6.898794 0.8117752 
9.721493 
1 1 1 10  -2  20 o 236.9211 9.442897  12346.21       938.8787 12485.16       
1350.052 12216.07       1306.566 238.0871 13.50627 235.7552 13.20052 2.331894 
18.88579 
1 1 1 10  -2  21 o 118.0501 5.390006  2959.816       253.4857 2933.128       
312.1064 3011.537       434.4893 117.5612 6.323530 118.5389 8.730500 
-0.9777222     10.78001 
1 1 1 10  -2  22 o 110.8047 4.998783  2601.252       212.1745 2656.378       
391.5952 2578.343       252.4403 111.2883 8.381252 110.3210 5.450314 0.9672699 
9.997565 
1 1 1 10  -2  23 o 21.78187 6.493345  9.608061       104.8817 -193.5144      
200.3542 86.28131       123.0953 20.03023 9.393602 23.53350 8.967406 -3.503269 
12.98669 
1 1 1 10  -2  24 o 80.70081 4.937192  1466.922       152.8104 1220.027       
265.0174 1589.893       187.0332 74.93719 8.423606 86.46442 5.152314 -11.52723 
9.874385 
1 1 1 10  -2  25 o 94.31314 4.287880  1925.430       158.5829 1857.674       
276.3465 1958.698       193.6401 92.68896 7.101449 95.93732 4.807605 -3.248367 
8.575760 
1 1 1 10  -2  26 o 80.58583 4.055094  1379.180       130.9919 1452.693       
223.2901 1340.605       161.7494 81.93790 6.490912 79.23376 4.862430 2.704147 
8.110188 
1 1 1 10  -2  27 o 39.19499 6.855483  326.7337       106.4089 487.0538       
193.1599 256.8828       127.4997 45.20015 10.39013 33.18984 8.946274 12.01031 
13.71097 
1 1 1 10  -2  28 o 64.71024 5.002435  925.2974       124.5392 941.8435       
226.6760 918.1432       149.0507 64.40307 8.383396 65.01741 5.460411 
-0.6143417     10.00487 
1 1 1 10  -2  29 f 21.56446 6.532195  31.72469       103.3700 -77.65476      
194.6449 74.69177       121.9953 21.14335 9.675988 21.98556 8.778013 
-0.8422146     13.06439 
1 1 1 10  -2  30 o 62.82607 4.895026  859.7856       118.6610 997.5269       
221.2011 804.1331       140.6039 65.35076 8.062277 60.30138 5.553810 5.049377 
9.790051 
1 1 1 10  -2  31 o 37.40778 6.461993  371.1514       102.0835 274.5675       
173.4979 422.2937       126.2502 32.09949 10.83837 42.71608 7.039824 -10.61659 
12.92399 
1 1 1 10  -2  32 o 49.04713 6.981322  569.7596       124.0744 779.2623       
253.6412 503.8581       142.2567 52.05795 11.86516 46.03631 7.360265 6.021645 
13.96264 
1 1 1 10  -2  33 o 56.18790 7.269143  778.7970       134.8525 1045.182       
305.9065 714.5439       150.2383 57.34704 13.00281 55.02875 6.502975 2.318291 
14.53829 
1 1 1 10  -2  34 o 24.98192 7.265896  173.7378       113.9916 106.0307       
273.7431 187.9415       125.3794 24.34250 11.27292 25.62135 9.170294 -1.278851 
14.53179 
1 1 1 10  -1  0  o 151.9515 3.324678  4840.737       211.8333 5119.767       
308.8043 4592.732       291.1312 156.0768 4.712659 147.8262 4.690925 8.250656 
6.649355 
1 1 1 10  -1  1  o 543.6245 9.004330  63092.71       1998.963 64915.95       
2567.889 60288.68       3184.524 554.2651 11.03519 532.9838 14.23153 21.28125 
18.00866 
1 1 1 10  -1  2  o 483.2263 7.198236  49566.53       1190.472 49767.80       
1341.576 48820.99       2582.025 486.3390 6.570481 480.1137 12.80965 6.225311 
14.39647 
1 1 1 10  -1  3  o 55.51607 2.985185  646.4189       69.01990 764.3877       
100.3431 540.4860       95.08664 60.31782 3.962443 50.71431 4.465910 9.603504 
5.970369 
1 1 1 10  -1  4  o 451.2866 7.452309  43321.16       1218.373 42401.63       
2433.787 43628.67       1407.426 447.3635 12.95815 455.2097 7.364363 -7.846191 
14.90462 
1 1 1 10  -1  5  o 250.6971 4.527081  12910.27       354.7278 13697.36       
882.3966 12758.55       387.4107 254.9575 8.243604 246.4368 3.744443 8.520752 
9.054162 
1 1 1 10  -1  6  o 74.97380 2.854663  1150.961       88.70283 1409.526       
138.8748 972.7831       115.2830 81.90490 4.038637 68.04271 4.035570 13.86219 
5.709327 
1 1 1 10  -1  7  o 430.3713 12.47066  36997.46       892.9238 36773.56       
910.7728 42542.44       4532.478 418.2164 5.187164 442.5262 24.39595 -24.30972 
24.94132 
1 1 1 10  -1  8  o 120.3594 4.588107  3037.265       227.5198 3107.593       
359.9151 2990.456       293.6319 121.4874 7.056506 119.2314 5.865886 2.256058 
9.176213 
1 1 1 10  -1  9  o 103.1514 6.308193  2239.195       273.1864 2239.195       
273.1864 0.000000       0.000000 103.1514 6.308193 ?        ?        ? ? 
1 1 1 10  -1  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -1  11 o 33.40936 7.830206  215.4690       128.1711 286.4676       
196.2769 162.6851       169.2367 36.86306 11.47148 29.95565 10.66085 6.907417 
15.66041 
1 1 1 10  -1  12 f 239.4548 7.731667  12150.53       756.8409 12173.84       
1217.772 12135.86       966.0769 239.3757 12.11733 239.5340 9.606508 
-0.1582947     15.46333 
1 1 1 10  -1  13 o 193.5284 5.961605  7912.835       484.3275 7772.528       
679.3436 8057.867       690.6823 191.7831 8.437235 195.2736 8.424726 -3.490509 
11.92321 
1 1 1 10  -1  14 o 182.7748 7.219523  7055.368       549.2289 6822.335       
725.3997 7368.413       840.7598 179.3699 9.632716 186.1797 10.75625 -6.809723 
14.43905 
1 1 1 10  -1  15 o 107.5063 5.071461  2438.270       225.9892 2468.135       
349.4277 2416.795       296.2977 108.0161 7.705307 106.9964 6.595991 1.019653 
10.14292 
1 1 1 10  -1  16 o 304.6845 11.79962  20339.34       1508.955 20243.56       
2156.119 20431.28       2112.517 303.8150 16.90380 305.5540 16.46772 -1.738983 
23.59925 
1 1 1 10  -1  17 o 153.4241 5.643735  5024.576       360.5932 5216.809       
486.0044 4789.151       537.8375 156.8367 7.380972 150.0114 8.539803 6.825256 
11.28747 
1 1 1 10  -1  18 o 98.11966 4.863342  2020.827       197.1067 2161.450       
311.9751 1927.400       254.2889 100.8534 7.368017 95.38595 6.349859 5.467415 
9.726685 
1 1 1 10  -1  19 o 214.0163 7.643493  9912.068       619.6512 9897.612       
1156.062 9917.896       733.9953 212.5189 12.95700 215.5137 8.112215 -2.994797 
15.28699 
1 1 1 10  -1  20 o 119.4910 4.221222  2780.271       188.1521 2523.786       
216.3235 3577.122       381.2959 109.3146 4.713533 129.6673 7.004105 -20.35271 
8.442445 
1 1 1 10  -1  21 o 225.7220 8.224159  11073.84       757.2627 11037.49       
963.8488 11132.46       1224.054 226.1850 10.15000 225.2590 12.94313 0.9260406 
16.44832 
1 1 1 10  -1  22 o 129.5327 5.043914  3539.519       245.5065 3649.125       
468.9518 3498.136       288.1490 130.4947 8.559655 128.5706 5.338220 1.924133 
10.08783 
1 1 1 10  -1  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  -1  24 o 120.0798 4.691278  3081.565       223.2739 3091.999       
385.2310 3076.286       273.9852 119.8627 7.655231 120.2969 5.424923 
-0.4342728     9.382556 
1 1 1 10  -1  25 o 66.03336 4.709097  957.9596       122.7855 871.3946       
207.5417 1004.574       152.2981 63.40196 7.796931 68.66476 5.283014 -5.262798 
9.418194 
1 1 1 10  -1  26 o 38.13782 6.999696  358.7708       109.9259 217.1026       
220.9399 405.3769       126.7242 33.00764 12.13741 43.26800 6.976116 -10.26036 
13.99939 
1 1 1 10  -1  27 o 79.76575 4.793828  1455.923       139.1517 1232.631       
263.3447 1542.418       163.9017 74.53185 8.415961 84.99966 4.592904 -10.46781 
9.587657 
1 1 1 10  -1  28 o 46.96279 6.206370  359.3988       105.3205 902.7386       
233.9904 221.3533       117.9433 63.11159 8.831002 30.81399 8.722931 32.29760 
12.41274 
1 1 1 10  -1  29 o 86.00656 5.021898  1593.603       148.4881 1759.783       
325.4008 1549.899       166.8755 87.26903 8.881362 84.74410 4.690337 2.524925 
10.04380 
1 1 1 10  -1  30 o 36.36143 6.372239  345.0585       100.2396 211.2770       
172.3056 413.4979       123.2407 29.88921 10.74505 42.83365 6.853150 -12.94444 
12.74448 
1 1 1 10  -1  31 o 31.02733 6.966691  215.1549       101.8015 368.1961       
171.6268 132.0818       126.4478 37.42674 10.49923 24.62792 9.159980 12.79882 
13.93338 
1 1 1 10  -1  32 o 37.26015 8.349017  362.0893       132.1799 504.7225       
264.5752 314.6480       152.5869 40.15002 13.38417 34.37029 9.984405 5.779728 
16.69803 
1 1 1 10  -1  33 o 22.97040 7.411298  -12.55366      113.2295 224.8810       
287.4093 -56.17632      123.1926 29.51923 12.73278 16.42157 7.588522 13.09766 
14.82260 
1 1 1 10  -1  34 o 45.58046 7.941163  634.4936       129.6107 656.5296       
311.0250 629.8627       142.5806 39.97781 14.42991 51.18311 6.635212 -11.20530 
15.88233 
1 1 1 10  -1  35 o 24.52321 7.390762  170.3778       120.4319 93.63444       
320.9240 182.9566       129.9273 24.11736 11.50339 24.92906 9.282532 
-0.8117027     14.78152 
1 1 1 10  0   0  o 170.5209 2.454848  6137.824       174.1520 6357.530       
233.6299 5863.086       261.2552 173.9803 3.198522 167.0615 3.724857 6.918793 
4.909695 
1 1 1 10  0   1  o 94.70180 2.472952  1883.861       98.32211 1887.518       
139.2810 1880.228       138.8171 94.79337 3.499733 94.61021 3.494830 0.1831589 
4.945904 
1 1 1 10  0   2  o 77.85495 2.452137  1273.757       80.11263 1250.839       
114.4210 1295.795       112.2042 77.16676 3.531803 78.54314 3.402688 -1.376373 
4.904275 
1 1 1 10  0   3  o 210.9673 2.686944  9123.302       213.8055 8848.310       
250.2766 9866.004       411.3084 205.2611 2.904254 216.6736 4.521501 -11.41257 
5.373888 
1 1 1 10  0   4  o 308.1016 4.788766  19986.47       619.1268 19446.22       
880.8201 20514.04       870.4274 303.9694 6.902054 312.2337 6.640088 -8.264282 
9.577532 
1 1 1 10  0   5  f 118.5679 2.761884  2954.782       136.4397 2943.650       
205.8399 2963.507       182.2214 118.3624 4.142257 118.7733 3.654276 
-0.4109650     5.523769 
1 1 1 10  0   6  o 127.7169 2.757116  3430.371       145.9999 3405.384       
224.4740 3448.691       192.2102 127.3047 4.199934 128.1291 3.573138 
-0.8243561     5.514232 
1 1 1 10  0   7  o 529.2830 8.520861  60288.35       1611.481 61229.43       
1853.919 57379.49       3259.404 539.0453 8.191937 519.5207 14.94364 19.52460 
17.04172 
1 1 1 10  0   8  o 273.1421 10.37517  15791.25       1177.753 16329.21       
1810.901 15396.91       1550.451 276.9400 15.57507 269.3441 13.71108 7.595886 
20.75034 
1 1 1 10  0   9  o 118.5240 4.685254  2835.948       225.2206 3422.831       
382.7379 2525.087       278.5533 127.4943 7.150424 109.5538 6.056225 17.94050 
9.370508 
1 1 1 10  0   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  0   11 o 369.9908 14.71565  29163.41       2285.858 0.000000       
0.000000 29163.41       2285.858 ?        ?        369.9908 14.71565 ? ? 
1 1 1 10  0   12 o 39.56881 7.674366  328.2125       132.5371 450.1235       
203.5412 238.4708       174.6337 45.20538 10.84697 33.93225 10.85942 11.27312 
15.34873 
1 1 1 10  0   13 o 68.01303 5.463222  980.8339       154.9494 926.2128       
228.9458 1026.999       210.4800 66.23378 8.233303 69.79229 7.183308 -3.558510 
10.92644 
1 1 1 10  0   14 o 186.6817 5.385748  7361.618       421.4728 7273.753       
611.0546 7441.354       582.1038 185.5867 7.842492 187.7767 7.383796 -2.189987 
10.77150 
1 1 1 10  0   15 o 237.7878 8.946753  12199.97       876.5395 11448.80       
1352.593 12743.83       1150.914 230.9536 13.94965 244.6220 11.20646 -13.66840 
17.89351 
1 1 1 10  0   16 o 74.41359 4.962533  1176.167       154.2123 1058.380       
221.0479 1287.852       215.2460 70.73433 7.443501 78.09284 6.565155 -7.358513 
9.925067 
1 1 1 10  0   17 o 172.4326 6.200971  6321.890       448.8779 6396.143       
639.3445 6249.706       630.3691 173.4281 8.780849 171.4370 8.758130 1.991074 
12.40194 
1 1 1 10  0   18 o 61.97562 5.357409  828.8333       137.0919 706.6595       
202.4539 932.2946       186.3057 57.61047 8.370395 66.34078 6.689084 -8.730316 
10.71482 
1 1 1 10  0   19 o 126.7548 4.516660  3376.120       237.6579 3217.887       
310.5499 3599.775       369.2080 123.2748 6.000371 130.2347 6.752513 -6.959892 
9.033320 
1 1 1 10  0   20 o 93.15337 4.248559  1836.166       165.7612 1794.979       
225.7021 1884.396       244.2368 92.04617 5.840513 94.26057 6.171662 -2.214409 
8.497117 
1 1 1 10  0   21 o 89.15704 4.312396  1685.906       160.8486 1690.893       
218.6975 1680.030       237.4005 89.33896 5.830743 88.97514 6.355269 0.3638229 
8.624791 
1 1 1 10  0   22 o 142.3825 3.881406  4323.617       225.0533 4149.542       
361.6245 4433.657       287.5172 139.8754 6.157973 144.8896 4.726585 -5.014297 
7.762812 
1 1 1 10  0   23 o 160.2565 4.659982  5485.756       310.9888 5248.513       
464.4715 5678.538       418.6916 156.9530 7.048724 163.5599 6.097312 -6.606903 
9.319963 
1 1 1 10  0   24 o 63.36058 5.810152  853.4633       154.5559 0.000000       
0.000000 853.4633       154.5559 ?        ?        63.36058 5.810152 ? ? 
1 1 1 10  0   25 o 134.6208 5.195257  3886.964       275.3931 3948.616       
482.4139 3857.160       335.4182 134.8225 8.522728 134.4192 5.943557 0.4032745 
10.39051 
1 1 1 10  0   26 o 72.40230 4.263459  1051.008       121.1484 1332.743       
223.3276 933.5299       144.2113 78.63636 6.764567 66.16824 5.191238 12.46812 
8.526917 
1 1 1 10  0   27 o 91.55645 5.047544  1889.040       163.0136 1696.235       
328.4186 1952.072       187.7783 87.42470 8.947768 95.68820 4.674208 -8.263504 
10.09509 
1 1 1 10  0   28 o 66.76322 5.158716  954.7234       124.5049 1033.129       
253.9374 929.9103       142.8538 67.75905 8.926484 65.76740 5.173711 1.991653 
10.31743 
1 1 1 10  0   29 o 31.64451 6.873692  247.1842       99.87107 154.4010       
188.9395 283.1602       117.6506 28.50199 11.04648 34.78703 8.183272 -6.285042 
13.74738 
1 1 1 10  0   30 o 64.02637 4.494483  913.1324       114.5377 897.0313       
194.0516 921.7409       141.8906 63.01805 7.334547 65.03468 5.196723 -2.016632 
8.988965 
1 1 1 10  0   31 o 24.27556 6.690629  113.0994       94.79249 107.5809       
164.9560 115.8203       115.8270 24.96578 10.10849 23.58534 8.767920 1.380438 
13.38126 
1 1 1 10  0   32 o 83.60844 5.359733  1676.131       165.1164 1540.996       
309.3159 1729.984       195.2645 78.91362 9.336226 88.30328 5.267052 -9.389656 
10.71947 
1 1 1 10  0   33 o 47.70618 7.207765  524.6076       115.0666 767.1340       
270.2126 470.8870       127.1735 50.46712 12.74305 44.94524 6.739598 5.521885 
14.41553 
1 1 1 10  0   34 o 45.62987 7.741779  522.9989       116.5312 752.0558       
293.2569 480.0483       126.9875 46.31514 13.94453 44.94460 6.729838 1.370537 
15.48356 
1 1 1 10  0   35 o 40.97796 8.337949  409.2487       120.0921 936.0825       
300.8123 309.3609       130.9830 49.24116 13.92795 32.71476 9.170489 16.52640 
16.67590 
1 1 1 10  1   0  o 195.6665 2.813993  8051.157       225.3982 8009.383       
360.8795 8077.876       288.6166 195.2314 4.402847 196.1017 3.505590 
-0.8702545     5.627985 
1 1 1 10  1   1  o 216.5663 3.141704  9832.952       284.6168 10112.42       
423.3047 9602.365       384.5047 219.3603 4.596382 213.7724 4.284213 5.587860 
6.283408 
1 1 1 10  1   2  o 269.3835 5.300552  15108.85       575.7476 14687.74       
715.5111 15882.33       969.7167 264.2229 6.450109 274.5441 8.413056 -10.32126 
10.60110 
1 1 1 10  1   3  o 339.0487 4.221745  24117.89       547.4824 24034.01       
651.0181 24320.53       1011.810 338.1769 4.585326 339.9206 7.089943 -1.743683 
8.443489 
1 1 1 10  1   4  o 133.6366 2.970379  3741.513       162.9955 3804.324       
260.1143 3700.904       209.1519 134.5445 4.604890 132.7286 3.753343 1.815918 
5.940758 
1 1 1 10  1   5  o 171.0820 3.930729  6141.482       281.7197 5969.870       
383.8776 6341.792       414.7327 168.5041 5.426295 173.6599 5.688395 -5.155853 
7.861458 
1 1 1 10  1   6  o 303.4444 6.582316  19420.74       838.5445 19231.03       
1183.535 19611.96       1188.241 301.9523 9.336063 304.9366 9.281458 -2.984283 
13.16463 
1 1 1 10  1   7  o 184.0835 2.489851  6952.316       180.1307 7585.823       
322.8120 6665.870       217.0675 190.0106 4.046624 178.1565 2.902113 11.85414 
4.979701 
1 1 1 10  1   8  o 530.2867 9.089929  60135.78       1723.456 58530.32       
3502.278 60648.78       1979.753 524.2499 15.91231 536.3235 8.792355 -12.07367 
18.17986 
1 1 1 10  1   9  o 295.9994 10.09648  18597.81       1253.424 18269.64       
1728.013 18962.18       1820.847 293.3065 14.03286 298.6923 14.52013 -5.385742 
20.19296 
1 1 1 10  1   10 o 387.2019 22.31025  32440.26       3626.777 32440.26       
3626.777 0.000000       0.000000 387.2019 22.31025 ?        ?        ? ? 
1 1 1 10  1   11 o 189.8507 10.02435  7615.728       799.0013 0.000000       
0.000000 7615.728       799.0013 ?        ?        189.8507 10.02435 ? ? 
1 1 1 10  1   12 o 97.78279 4.481703  2014.458       183.8181 2063.795       
256.6281 1962.474       263.4211 99.02045 6.173059 96.54513 6.498922 2.475327 
8.963406 
1 1 1 10  1   13 o 87.83339 4.775804  1617.083       175.4830 1719.659       
261.9545 1533.575       236.3559 90.34029 6.906617 85.32650 6.597867 5.013786 
9.551608 
1 1 1 10  1   14 o 32.34421 7.926627  198.8248       132.6559 146.7028       
194.5383 244.1252       181.3615 30.32005 11.34481 34.36837 11.07344 -4.048323 
15.85325 
1 1 1 10  1   15 f 112.9578 4.867612  2697.429       230.3276 2814.612       
320.0822 2571.590       331.6929 115.5300 6.599145 110.3856 7.157226 5.144424 
9.735225 
1 1 1 10  1   16 o 107.3781 4.402660  2447.600       196.0610 2543.772       
260.8918 2322.811       297.1839 109.8623 5.656307 104.8940 6.748321 4.968262 
8.805320 
1 1 1 10  1   17 o 129.2827 4.654764  3533.142       252.1922 3502.991       
366.9919 3560.120       347.1426 128.7330 6.790280 129.8324 6.368627 -1.099457 
9.309528 
1 1 1 10  1   18 o 207.2491 8.001292  9073.602       674.8244 9851.757       
1117.779 8627.325       846.4960 213.6166 12.46356 200.8815 10.03705 12.73515 
16.00258 
1 1 1 10  1   19 o 97.36702 4.152229  2032.041       165.2585 2136.583       
214.0773 1877.868       259.9735 100.6016 5.068587 94.13245 6.578255 6.469139 
8.304458 
1 1 1 10  1   20 o 200.8697 5.907603  8638.138       497.1364 8293.060       
717.2032 8957.273       689.7164 196.8613 8.677668 204.8782 8.018552 -8.016876 
11.81521 
1 1 1 10  1   21 o 215.0295 7.332788  10087.13       619.3166 9712.836       
1074.253 10273.46       757.9532 210.8719 12.13414 219.1870 8.236612 -8.315109 
14.66558 
1 1 1 10  1   22 o 41.18073 6.530624  392.6739       106.1016 303.3123       
188.3080 434.2397       128.4286 37.15730 11.17149 45.20417 6.767126 -8.046867 
13.06125 
1 1 1 10  1   23 o 53.37141 5.999703  746.8136       108.9910 369.1373       
192.3916 925.3033       132.2614 40.56179 11.01484 66.18103 4.760149 -25.61924 
11.99941 
1 1 1 10  1   24 o 87.83693 4.163473  1624.525       143.1266 1676.258       
255.0115 1600.734       172.9328 88.67265 6.850010 87.00122 4.734488 1.671425 
8.326945 
1 1 1 10  1   25 o 167.4549 5.493399  5974.871       340.3921 6171.663       
665.2567 5905.076       396.1816 168.3217 9.413912 166.5881 5.664628 1.733612 
10.98680 
1 1 1 10  1   26 o 185.2505 10.16339  7600.787       790.4551 7600.787       
790.4551 0.000000       0.000000 185.2505 10.16339 ?        ?        ? ? 
1 1 1 10  1   27 o 82.40318 4.533803  1367.091       134.5565 1656.855       
284.0619 1283.265       152.7848 87.16685 7.762161 77.63953 4.687252 9.527321 
9.067605 
1 1 1 10  1   28 f 55.71549 6.083660  727.5684       120.2355 635.3528       
226.5803 763.7140       141.8559 51.87778 10.76351 59.55320 5.673662 -7.675415 
12.16732 
1 1 1 10  1   29 o 80.96355 4.624385  1490.280       143.2229 1290.018       
251.7563 1586.107       174.1502 76.01778 7.888353 85.90931 4.828418 -9.891525 
9.248770 
1 1 1 10  1   30 o 41.13367 6.258549  396.7509       100.9248 421.0323       
171.7481 383.9437       124.7328 41.49754 9.968035 40.76981 7.570735 0.7277374 
12.51710 
1 1 1 10  1   31 o 84.08061 4.106406  1588.625       142.0451 1369.317       
212.5276 1765.685       190.9627 78.23592 6.470385 89.92531 5.058103 -11.68938 
8.212812 
1 1 1 10  1   32 o 31.09716 7.461411  248.2310       109.0392 197.5023       
233.6469 262.3556       123.2883 29.75077 12.03682 32.44355 8.820744 -2.692774 
14.92282 
1 1 1 10  1   33 o 24.37857 7.052994  117.4226       109.4444 -179.0878      
295.3253 164.6271       117.8346 22.82230 10.92118 25.93485 8.927861 -3.112551 
14.10599 
1 1 1 10  1   34 o 40.98344 7.648252  477.7377       119.8792 469.1028       
276.0554 479.7445       133.0825 37.03838 13.57220 44.92851 7.055375 -7.890129 
15.29650 
1 1 1 10  1   35 o 48.80204 7.476932  754.8420       123.1968 603.7382       
286.4232 789.1428       136.4652 39.23127 13.87842 58.37282 5.568424 -19.14155 
14.95386 
1 1 1 10  1   36 o 25.18963 7.342094  183.5117       111.1412 206.0676       
264.8543 178.6909       122.4433 25.60501 11.56948 24.77425 9.042809 0.8307552 
14.68419 
1 1 1 10  2   0  o 254.4736 4.363102  13686.19       454.7733 13927.22       
585.1486 13318.52       722.7082 257.3759 5.415262 251.5713 6.842629 5.804626 
8.726204 
1 1 1 10  2   1  o 163.9370 2.996756  5702.558       198.9342 5430.488       
323.6842 5867.707       252.1844 160.7418 4.796382 167.1322 3.594007 -6.390472 
5.993511 
1 1 1 10  2   2  o 78.99928 2.238210  1293.797       72.94959 1225.061       
93.73295 1399.386       116.1749 76.37577 2.923195 81.62278 3.390173 -5.247009 
4.476420 
1 1 1 10  2   3  f 265.2356 5.309407  14787.70       583.5518 14662.20       
764.5240 14962.89       903.2491 263.9515 6.899030 266.5197 8.072336 -2.568237 
10.61881 
1 1 1 10  2   4  o 223.0576 3.583895  10425.33       304.5211 10379.55       
360.9836 10538.31       567.0861 222.2751 3.868278 223.8402 6.034371 -1.565063 
7.167790 
1 1 1 10  2   5  o 358.3798 5.933600  27106.41       687.7482 27131.12       
760.3835 26995.31       1612.442 359.2626 5.041291 357.4970 10.74318 1.765625 
11.86720 
1 1 1 10  2   6  o 168.1840 3.197356  5971.303       205.1186 6009.428       
244.0336 5879.531       378.6163 169.1424 3.436516 167.2257 5.392838 1.916656 
6.394712 
1 1 1 10  2   7  o 163.3629 3.783550  5614.169       259.2957 5516.593       
372.1373 5706.244       361.4933 161.9766 5.472326 164.7493 5.226341 -2.772659 
7.567100 
1 1 1 10  2   8  o 233.6038 4.486999  11534.96       416.3024 11649.20       
512.9924 11314.60       712.4463 235.3933 5.190843 231.8143 7.320368 3.578979 
8.973998 
1 1 1 10  2   9  o 463.0748 13.93967  46039.69       2708.527 45630.78       
3886.180 46425.95       3777.023 460.8813 20.08422 465.2682 19.33603 -4.386871 
27.87935 
1 1 1 10  2   10 f 221.7703 8.846333  10407.67       816.0617 10522.90       
1244.126 10320.65       1081.134 222.7104 13.30591 220.8301 11.66118 1.880325 
17.69267 
1 1 1 10  2   11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  2   12 o 225.1948 7.191779  10768.26       666.2635 10974.08       
864.9195 10467.91       1044.858 228.0175 9.035007 222.3721 11.19176 5.645432 
14.38356 
1 1 1 10  2   13 o 248.6599 8.863697  13148.98       899.4241 13050.68       
1450.251 13210.42       1146.559 247.5617 13.95342 249.7581 10.93447 -2.196381 
17.72739 
1 1 1 10  2   14 o 112.2914 5.002387  2655.156       235.7005 2771.996       
339.4636 2546.393       327.5189 114.6756 7.050875 109.9071 7.097933 4.768593 
10.00477 
1 1 1 10  2   15 o 145.7578 6.154925  4481.804       371.3570 4555.094       
577.4860 4430.127       484.9159 146.6866 9.377179 144.8291 7.975020 1.857513 
12.30985 
1 1 1 10  2   16 o 65.33335 5.739903  905.3652       156.4029 780.3925       
219.6679 1033.856       222.7384 60.71638 8.617508 69.95032 7.584492 -9.233936 
11.47981 
1 1 1 10  2   17 o 114.6685 4.393469  2777.940       206.5721 2759.754       
329.0219 2789.773       265.3991 114.2927 6.856891 115.0443 5.494845 
-0.7515259     8.786938 
1 1 1 10  2   18 o 81.88013 4.243707  1407.401       144.2937 1361.392       
189.1925 1471.378       223.0976 80.32084 5.610439 83.43943 6.368609 -3.118591 
8.487414 
1 1 1 10  2   19 o 53.57657 5.311096  617.5596       115.1542 642.5632       
146.4410 577.0490       186.4004 55.10399 6.329955 52.04914 8.530102 3.054848 
10.62219 
1 1 1 10  2   20 o 140.9318 4.455256  4212.402       263.3518 4122.888       
378.3548 4296.526       366.7860 139.4435 6.462818 142.4201 6.134267 -2.976547 
8.910513 
1 1 1 10  2   21 o 104.2716 4.303668  2269.076       173.7885 2399.260       
317.5433 2213.409       207.6468 106.1816 7.123194 102.3616 4.831804 3.819984 
8.607335 
1 1 1 10  2   22 o 35.53576 5.819553  337.0833       99.26081 -29.35163      
183.5320 488.5807       118.0092 23.05005 10.06020 48.02147 5.853310 -24.97141 
11.63911 
1 1 1 10  2   23 o 123.5379 3.935474  3223.775       185.6229 3247.617       
343.6974 3213.957       220.5553 123.6447 6.620971 123.4312 4.256120 0.2135773 
7.870947 
1 1 1 10  2   24 o 82.38339 4.597555  1537.878       144.4119 1192.121       
247.7576 1715.793       177.7244 74.65826 7.904425 90.10852 4.697883 -15.45026 
9.195109 
1 1 1 10  2   25 f 183.6827 4.890549  7206.061       375.1411 7261.132       
560.8941 7161.486       504.6165 184.1529 7.254767 183.2125 6.560354 0.9403229 
9.781098 
1 1 1 10  2   26 o 100.8026 4.842584  2153.561       173.0036 2234.007       
360.8771 2129.556       197.1332 101.4149 8.475761 100.1903 4.686569 1.224564 
9.685167 
1 1 1 10  2   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  2   28 o 33.02779 7.313522  242.4146       103.5024 240.1679       
208.2936 243.1513       119.2694 33.47388 11.83582 32.58169 8.594409 0.8921928 
14.62704 
1 1 1 10  2   29 o 66.55038 4.828267  1002.716       118.1581 894.8245       
223.3487 1044.648       139.2384 63.27414 8.407721 69.82663 4.749620 -6.552494 
9.656534 
1 1 1 10  2   30 o 37.54420 6.889033  328.6832       100.5085 360.6059       
195.3360 317.1883       117.2158 38.10466 11.36228 36.98373 7.793187 1.120930 
13.77807 
1 1 1 10  2   31 o 74.24759 4.295388  1249.309       117.4610 1147.528       
222.9088 1288.436       138.2060 71.14933 7.462381 77.34586 4.256090 -6.196526 
8.590776 
1 1 1 10  2   32 o 39.72886 7.555876  397.2631       114.1151 429.8901       
245.3962 388.2609       128.9001 39.09293 12.88994 40.36480 7.887620 -1.271873 
15.11175 
1 1 1 10  2   33 o 25.11289 6.633926  135.8135       110.4301 -269.6087      
255.3919 229.0442       122.4709 20.13022 9.747267 30.09556 9.001484 -9.965342 
13.26785 
1 1 1 10  2   34 o 51.14314 7.325481  711.3335       119.3360 676.0622       
278.7264 719.2503       132.0514 45.87571 13.54849 56.41057 5.575754 -10.53486 
14.65096 
1 1 1 10  2   35 o 20.08437 6.593081  -2.814267      107.6771 -108.4683      
269.0871 17.32914       117.4941 21.93805 10.48044 18.23068 8.002200 3.707363 
13.18616 
1 1 1 10  2   36 o 19.78368 6.128979  22.29125       112.6494 -450.3762      
253.6810 138.3891       125.7252 16.60627 8.335189 22.96108 8.987888 -6.354811 
12.25796 
1 1 1 10  3   0  o 156.6019 2.950938  5112.972       192.1228 5427.764       
296.4764 4885.085       252.2544 160.7171 4.393888 152.4866 3.940291 8.230591 
5.901876 
1 1 1 10  3   1  o 209.0419 2.610995  9164.667       228.5963 8974.648       
311.2591 9387.176       336.8196 206.6977 3.586803 211.3862 3.795263 -4.688492 
5.221990 
1 1 1 10  3   2  o 35.71276 3.873858  277.2122       54.60077 371.8959       
78.49076 188.4340       76.00360 42.06862 4.444074 29.35690 6.346442 12.71172 
7.747717 
1 1 1 10  3   3  o 333.9307 5.545395  23427.24       725.8467 23644.40       
1283.791 23325.20       880.0045 334.8716 9.131395 332.9897 6.294701 1.881897 
11.09079 
1 1 1 10  3   4  o 632.0798 10.94085  85009.38       2784.091 85192.84       
3479.296 84682.79       4642.093 634.1718 13.06789 629.9878 17.55104 4.183960 
21.88170 
1 1 1 10  3   5  o 284.7155 4.880029  17028.54       478.7676 17004.94       
540.0450 17115.17       1034.802 284.4625 4.521953 284.9684 8.649317 
-0.5058899     9.760058 
1 1 1 10  3   6  o 326.8385 4.799393  22459.72       649.7726 22604.15       
1005.804 22356.26       851.2478 327.6744 7.311254 326.0027 6.219506 1.671722 
9.598785 
1 1 1 10  3   7  o 254.5076 5.008405  13573.47       524.4171 13335.74       
674.4724 13936.87       833.9227 251.7681 6.380939 257.2472 7.721404 -5.479080 
10.01681 
1 1 1 10  3   8  o 188.2329 3.876400  7360.649       274.2863 7651.253       
525.6533 7251.921       321.5295 190.6869 6.565981 185.7790 4.122355 4.907913 
7.752800 
1 1 1 10  3   9  o 484.0679 15.27657  46887.71       2164.585 45531.95       
2323.519 55793.11       5955.004 463.8492 11.93137 504.2867 28.12715 -40.43744 
30.55313 
1 1 1 10  3   10 o 306.3698 9.629516  20014.32       1229.284 20837.21       
1661.697 19019.59       1826.974 313.5927 12.62138 299.1468 14.54686 14.44595 
19.25903 
1 1 1 10  3   11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  3   12 o 79.36223 4.858654  1308.649       159.0681 1697.051       
239.2344 1000.867       212.9631 89.79566 6.345842 68.92880 7.359101 20.86686 
9.717308 
1 1 1 10  3   13 o 427.9872 16.91303  39993.86       3038.567 39068.31       
4268.439 40944.78       4326.515 422.8821 24.04201 433.0922 23.79463 -10.21008 
33.82607 
1 1 1 10  3   14 o 69.84576 5.102523  1026.430       149.4777 986.6877       
205.9006 1070.715       217.3508 68.42078 7.167879 71.27076 7.263916 -2.849983 
10.20505 
1 1 1 10  3   15 o 235.5436 6.712300  11687.35       660.5953 11227.38       
884.9548 12266.20       992.7566 230.4009 9.148670 240.6862 9.824548 -10.28534 
13.42460 
1 1 1 10  3   16 o 207.4813 7.017156  9121.612       599.9149 9084.327       
776.6990 9176.750       944.5277 207.1590 8.930382 207.8036 10.82636 
-0.6446381     14.03431 
1 1 1 10  3   17 o 164.7003 5.789916  5850.284       384.9664 5319.301       
621.7750 6180.357       490.2283 158.3154 9.354728 171.0852 6.825069 -12.76978 
11.57983 
1 1 1 10  3   18 o 199.0424 5.669012  8439.869       417.8533 8488.208       
488.2140 8307.480       807.9577 200.5738 5.797719 197.5110 9.743574 3.062744 
11.33802 
1 1 1 10  3   19 o 51.25061 5.727402  600.0390       113.1991 719.5983       
148.1551 432.3445       175.4625 58.35143 6.047643 44.14980 9.728233 14.20163 
11.45480 
1 1 1 10  3   20 o 87.11765 3.853872  1601.489       131.6728 1610.231       
232.3350 1597.352       159.8167 87.18984 6.347019 87.04546 4.373178 0.1443863 
7.707745 
1 1 1 10  3   21 o 52.49001 5.435955  606.9165       104.8089 568.9058       
192.3270 622.9728       125.0006 50.71570 9.385814 54.26431 5.486795 -3.548607 
10.87191 
1 1 1 10  3   22 o 108.6005 3.845048  2424.921       164.3318 2698.913       
294.7515 2301.341       197.9522 112.7889 6.224588 104.4121 4.515760 8.376877 
7.690097 
1 1 1 10  3   23 o 26.26001 6.985608  114.4214       99.41819 76.43851       
184.8578 129.8782       117.9245 26.70769 10.74738 25.81233 8.926852 0.8953648 
13.97122 
1 1 1 10  3   24 o 24.47346 6.969454  51.50722       101.1085 115.6048       
189.2883 25.91806       119.5999 28.42552 11.04844 20.52141 8.498530 7.904110 
13.93891 
1 1 1 10  3   25 o 111.2495 4.561155  2622.161       197.1383 2668.813       
354.7133 2601.310       237.1339 111.6694 7.565963 110.8296 5.096347 0.8398361 
9.122311 
1 1 1 10  3   26 o 85.64127 3.757701  1592.760       122.2812 1476.095       
223.1194 1642.845       146.1917 83.11690 6.393947 88.16565 3.949522 -5.048752 
7.515402 
1 1 1 10  3   27 o 119.3473 3.452199  3055.532       160.8680 2954.540       
283.1093 3103.688       195.4945 117.5872 5.734759 121.1074 3.844898 -3.520218 
6.904397 
1 1 1 10  3   28 o 29.66984 7.206032  161.8646       97.17490 256.2776       
194.7901 130.5828       112.1236 34.08009 11.48419 25.25958 8.707525 8.820513 
14.41206 
1 1 1 10  3   29 o 46.23373 5.743680  500.1673       97.38142 433.1022       
177.6682 528.9673       116.4282 42.90548 10.03250 49.56199 5.595393 -6.656513 
11.48736 
1 1 1 10  3   30 o 53.61708 5.464715  656.4700       102.1807 630.2950       
202.2333 665.4428       118.4064 51.67922 9.678868 55.55494 5.076607 -3.875717 
10.92943 
1 1 1 10  3   31 o 24.54599 6.782950  104.1723       96.33730 118.0225       
169.2599 97.53558       117.1671 26.09490 10.36434 22.99709 8.752952 3.097809 
13.56590 
1 1 1 10  3   32 o 23.23996 6.822995  76.30812       105.6549 -141.7310      
244.1573 126.5449       117.1962 22.15669 10.38705 24.32323 8.849985 -2.166542 
13.64599 
1 1 1 10  3   33 o 37.22165 7.986872  304.9941       106.9535 521.0435       
272.4730 265.6422       116.2867 41.64885 13.58247 32.79446 8.406966 8.854389 
15.97374 
1 1 1 10  3   34 o 92.66209 5.136302  1908.286       159.2317 2216.319       
362.1835 1834.482       177.2841 94.05996 9.171596 91.26423 4.626902 2.795731 
10.27260 
1 1 1 10  3   35 f 28.63447 7.320748  231.1418       110.1863 84.94080       
272.0459 259.8323       120.5138 25.87139 11.70578 31.39755 8.794785 -5.526157 
14.64150 
1 1 1 10  3   36 o 18.30614 6.002512  -22.10361      102.9501 -144.0568      
210.6951 16.14453       117.9948 18.70499 9.016625 17.90729 7.925975 0.7977009 
12.00502 
1 1 1 10  3   37 o 26.73966 7.385510  241.7565       124.0520 137.3442       
257.4174 273.3397       141.5762 24.06258 11.06011 29.41673 9.790660 -5.354153 
14.77102 
1 1 1 10  4   0  o 257.4112 3.807759  13572.79       356.1069 14648.03       
726.0237 13232.16       408.6386 263.8557 6.553984 250.9667 3.878326 12.88902 
7.615518 
1 1 1 10  4   1  o 173.6827 2.635099  6242.554       179.7238 6601.971       
320.3801 6077.513       217.1008 177.2547 4.305154 170.1107 3.039841 7.144089 
5.270198 
1 1 1 10  4   2  o 226.5527 3.668674  10970.93       320.9442 11267.70       
387.4206 10321.75       572.9942 231.5847 3.984684 221.5206 6.161085 10.06412 
7.337348 
1 1 1 10  4   3  o 317.2014 4.917429  21228.68       648.0054 20795.30       
985.2023 21559.12       860.2834 314.2788 7.466746 320.1241 6.400949 -5.845215 
9.834858 
1 1 1 10  4   4  o 202.2506 3.460569  8691.395       259.0468 8798.995       
302.9338 8398.633       499.6864 204.6672 3.525499 199.8341 5.955922 4.833099 
6.921138 
1 1 1 10  4   5  o 369.5182 6.246506  28960.81       832.5900 29133.98       
959.3749 28432.44       1675.795 372.1670 6.140045 366.8695 10.88004 5.297485 
12.49301 
1 1 1 10  4   6  o 339.8100 3.616746  24237.42       509.6134 24502.09       
786.7969 24046.13       668.8805 341.3694 5.489834 338.2506 4.710109 3.118774 
7.233492 
1 1 1 10  4   7  f 137.0017 2.745560  3934.989       157.6188 3606.931       
217.9604 4294.612       228.2056 131.0264 3.962233 142.9771 3.801726 -11.95074 
5.491121 
1 1 1 10  4   8  o 91.33124 2.802624  1754.532       107.2609 1715.792       
155.5557 1789.648       148.0985 90.36623 4.100162 92.29626 3.821974 -1.930031 
5.605248 
1 1 1 10  4   9  o 277.9150 4.058947  16239.34       472.9066 16166.64       
650.8196 16320.66       688.3384 277.2694 5.590875 278.5605 5.885773 -1.291107 
8.117894 
1 1 1 10  4   10 o 315.3169 10.72035  20822.89       1256.132 21860.57       
2453.362 20454.21       1462.349 319.6134 18.28343 311.0203 11.19910 8.593140 
21.44070 
1 1 1 10  4   11 o 154.8288 9.555688  5059.943       621.1443 5059.943       
621.1443 0.000000       0.000000 154.8288 9.555688 ?        ?        ? ? 
1 1 1 10  4   12 o 257.7504 11.22194  14057.31       1214.356 0.000000       
0.000000 14057.31       1214.356 ?        ?        257.7504 11.22194 ? ? 
1 1 1 10  4   13 o 286.3823 10.44927  17474.75       1256.182 17761.14       
1773.818 17186.62       1779.214 288.7780 14.63073 283.9867 14.92284 4.791321 
20.89855 
1 1 1 10  4   14 o 200.4753 5.646417  8398.472       462.8369 8817.866       
752.6849 8143.469       586.9143 204.3634 8.772656 196.5873 7.111158 7.776138 
11.29283 
1 1 1 10  4   15 o 112.0810 4.249423  2639.253       197.1913 2680.284       
306.4253 2610.252       257.6222 112.7954 6.470747 111.3665 5.509974 1.428818 
8.498846 
1 1 1 10  4   16 o 270.0147 10.50585  15646.43       1190.296 15280.96       
1697.788 15999.71       1669.240 266.7947 15.15750 273.2348 14.55137 -6.440094 
21.01171 
1 1 1 10  4   17 o 46.84853 5.673321  465.2263       107.8502 368.2232       
144.2618 588.1384       162.3887 40.93105 8.660990 52.76600 7.330317 -11.83495 
11.34664 
1 1 1 10  4   18 o 173.2820 5.236171  6354.459       380.6492 6063.982       
537.5712 6646.559       539.0704 169.2799 7.564003 177.2841 7.242638 -8.004196 
10.47234 
1 1 1 10  4   19 o 181.4178 5.872737  6904.413       440.2230 6531.170       
567.6489 7467.629       697.3023 175.4917 7.704497 187.3439 8.865488 -11.85220 
11.74547 
1 1 1 10  4   20 o 112.0119 4.262394  2714.675       192.7486 2409.448       
308.9106 2909.271       246.6538 106.6061 6.901948 117.4178 5.003513 -10.81167 
8.524789 
1 1 1 10  4   21 f 48.27969 5.268348  457.6436       99.44642 604.2663       
185.7901 398.7670       117.7318 53.19856 8.318477 43.36081 6.467218 9.837749 
10.53670 
1 1 1 10  4   22 o 147.6314 4.845998  4615.748       254.4101 4668.252       
525.8143 4599.700       290.7024 147.6799 8.480710 147.5830 4.691732 
0.9681702E-01  9.691997 
1 1 1 10  4   23 o 162.3616 5.131928  5627.097       317.8044 5576.053       
586.4858 5648.315       378.1331 161.3576 8.657434 163.3656 5.513218 -2.007996 
10.26386 
1 1 1 10  4   24 o 72.63134 4.555573  1126.118       123.0605 1106.724       
236.1817 1133.346       144.1781 72.00639 7.812610 73.25629 4.687869 -1.249893 
9.111146 
1 1 1 10  4   25 o 52.09123 5.634531  647.7074       100.9981 477.5694       
191.3330 713.4274       118.9153 46.10001 10.15928 58.08245 4.876563 -11.98245 
11.26906 
1 1 1 10  4   26 o 39.52326 6.464952  337.2375       96.64418 382.6191       
184.3436 320.0367       113.4911 41.01765 10.62280 38.02886 7.371460 2.988792 
12.92990 
1 1 1 10  4   27 o 91.03221 3.971056  1636.333       131.5741 2037.811       
275.3141 1517.496       149.7864 97.41959 6.731366 84.64484 4.214955 12.77476 
7.942111 
1 1 1 10  4   28 o 33.31147 5.639776  289.6303       92.04836 -7.262580      
164.5368 424.8784       111.0527 22.11238 9.587081 44.51056 5.942743 -22.39818 
11.27955 
1 1 1 10  4   29 o 60.42293 4.513066  765.3934       107.0758 860.2284       
192.9198 723.1726       128.7229 62.75869 7.321902 58.08716 5.278334 4.671528 
9.026132 
1 1 1 10  4   30 o 110.2733 5.422107  2624.604       251.0253 2624.604       
251.0253 0.000000       0.000000 110.2733 5.422107 ?        ?        ? ? 
1 1 1 10  4   31 o 60.29804 4.643007  831.4031       109.3310 713.6809       
184.4572 895.1588       135.7457 56.26985 7.808019 64.32624 5.026421 -8.056393 
9.286015 
1 1 1 10  4   32 o 58.15360 6.603774  695.7029       118.2469 1006.491       
301.2419 639.0941       128.5657 62.41431 11.92276 53.89289 5.682177 8.521416 
13.20755 
1 1 1 10  4   33 o 64.15079 6.150411  1013.032       129.6183 924.5988       
269.2447 1039.710       147.8829 59.53584 11.18356 68.76575 5.122321 -9.229916 
12.30082 
1 1 1 10  4   34 o 87.89800 4.909157  1654.547       146.4847 2039.452       
332.8656 1562.102       163.1301 91.43854 8.670831 84.35747 4.606081 7.081070 
9.818314 
1 1 1 10  4   35 o 51.64998 7.359999  697.0649       121.0284 756.7813       
285.7090 684.0059       133.6082 48.52884 13.52472 54.77112 5.810353 -6.242275 
14.72000 
1 1 1 10  4   36 o 29.69373 7.335432  261.1180       108.3525 197.2447       
245.5410 276.5638       120.7446 27.35785 11.78431 32.02959 8.738670 -4.671740 
14.67086 
1 1 1 10  4   37 o 20.00656 6.421746  39.74024       108.5579 -2.522171      
217.2223 53.80930       125.3314 20.80019 9.759430 19.21294 8.349179 1.587254 
12.84349 
1 1 1 10  5   0  o 299.2621 4.752134  18750.63       497.0109 18674.79       
563.3331 19017.03       1055.792 298.1033 4.501109 300.4208 8.370851 -2.317444 
9.504269 
1 1 1 10  5   1  o 207.3158 2.561738  9025.155       221.9621 9064.124       
330.3037 8993.068       299.7232 207.7169 3.787587 206.9147 3.450247 0.8022766 
5.123477 
1 1 1 10  5   2  f 232.6324 3.116757  11255.26       282.6152 11685.15       
508.7062 11063.34       339.8948 235.7691 5.139267 229.4957 3.527695 6.273422 
6.233514 
1 1 1 10  5   3  o 204.7471 4.245806  8821.695       364.7190 9177.089       
514.9512 8463.975       516.6340 208.8957 5.871616 200.5985 6.134461 8.297180 
8.491612 
1 1 1 10  5   4  o 261.1705 4.736552  14360.61       517.6334 14451.69       
705.1566 14254.19       762.2625 262.0954 6.408364 260.2457 6.976572 1.849762 
9.473104 
1 1 1 10  5   5  o 262.6622 4.835268  14441.29       495.9117 14309.75       
598.4896 14729.45       885.8204 260.8825 5.464278 264.4419 7.978779 -3.559448 
9.670535 
1 1 1 10  5   6  o 379.2604 6.274938  30524.37       967.5681 29490.86       
1564.599 31164.38       1231.232 373.8175 9.969294 384.7034 7.623161 -10.88589 
12.54988 
1 1 1 10  5   7  o 322.8947 4.744462  21873.75       576.3881 22088.98       
1095.149 21791.29       677.8702 323.8159 8.055567 321.9735 5.014729 1.842377 
9.488923 
1 1 1 10  5   8  o 151.7313 3.563515  4843.805       226.7975 5032.794       
318.7824 4650.101       322.7343 154.7363 4.907079 148.7262 5.168669 6.010147 
7.127030 
1 1 1 10  5   9  o 167.1654 2.754752  5871.248       193.1764 5561.759       
271.4977 6188.589       274.9200 162.7005 3.974644 171.6302 3.815342 -8.929703 
5.509504 
1 1 1 10  5   10 o 288.3670 9.827373  17605.93       1160.900 17852.83       
1862.721 17449.13       1484.450 289.6752 15.31643 287.0588 12.31731 2.616364 
19.65475 
1 1 1 10  5   11 o 256.6333 13.11852  13967.74       1413.438 13967.74       
1413.438 0.000000       0.000000 256.6333 13.11852 ?        ?        ? ? 
1 1 1 10  5   12 o 263.3344 9.739758  14643.13       1076.799 0.000000       
0.000000 14643.13       1076.799 ?        ?        263.3344 9.739758 ? ? 
1 1 1 10  5   13 o 184.1631 6.324191  7182.199       483.8183 7339.273       
643.4033 6977.805       733.9473 186.5646 8.214387 181.7617 9.617974 4.802917 
12.64838 
1 1 1 10  5   14 f 292.5515 8.059203  18079.26       976.6083 18481.63       
1517.023 17794.48       1276.242 295.1111 12.24412 289.9919 10.48258 5.119293 
16.11841 
1 1 1 10  5   15 o 330.0468 10.26125  23198.07       1414.447 23873.67       
2123.477 22659.24       1896.389 334.1067 15.13852 325.9869 13.85634 8.119781 
20.52250 
1 1 1 10  5   16 o 210.3527 8.424883  9390.738       736.8481 9571.809       
1127.357 9255.693       973.5923 211.9368 12.66999 208.7686 11.10793 3.168167 
16.84977 
1 1 1 10  5   17 o 137.3372 4.866703  3894.636       263.8406 3738.698       
319.4133 4229.536       468.0961 133.2148 5.711124 141.4596 7.881767 -8.244827 
9.733406 
1 1 1 10  5   18 o 151.3685 5.151141  4866.282       316.0292 4932.637       
399.5935 4755.461       516.4082 152.8961 6.225052 149.8409 8.208881 3.055267 
10.30228 
1 1 1 10  5   19 o 133.9762 4.359788  3835.795       233.0401 3643.492       
391.5093 3941.316       290.0126 131.2103 7.107145 136.7420 5.051683 -5.531662 
8.719576 
1 1 1 10  5   20 o 155.8153 5.071103  5186.807       298.6180 5057.245       
557.5750 5238.916       353.6059 154.0944 8.618614 157.5362 5.346385 -3.441788 
10.14221 
1 1 1 10  5   21 o 112.5676 4.242672  2611.546       191.9024 2924.470       
329.8935 2451.499       235.9274 117.4137 6.692311 107.7216 5.216708 9.692055 
8.485345 
1 1 1 10  5   22 o 77.68238 4.316504  1262.189       125.1553 1317.317       
242.5320 1242.181       146.1126 78.65094 7.344906 76.71382 4.536650 1.937119 
8.633008 
1 1 1 10  5   23 o 29.12607 6.880995  178.7433       99.48240 75.32497       
183.1196 222.0461       118.4933 26.56547 10.69401 31.68667 8.662019 -5.121202 
13.76199 
1 1 1 10  5   24 o 288.3160 9.624606  18562.21       1108.665 17470.59       
1842.387 19181.88       1388.120 279.2890 15.71261 297.3431 11.11963 -18.05414 
19.24921 
1 1 1 10  5   25 o 20.93597 6.289544  16.14544       89.65022 -36.09832      
171.0670 35.92666       105.2630 21.98634 9.653183 19.88560 8.065327 2.100748 
12.57909 
1 1 1 10  5   26 o 113.0025 4.255078  2686.649       177.3237 2778.297       
349.1721 2654.798       205.8429 113.9387 7.299440 112.0664 4.375036 1.872276 
8.510157 
1 1 1 10  5   27 o 141.5410 4.585234  4355.554       241.4950 4137.298       
458.3015 4439.450       284.1433 138.3938 7.887796 144.6883 4.677624 -6.294449 
9.170468 
1 1 1 10  5   28 o 135.1179 4.051286  3919.113       217.1092 3857.300       
372.2270 3950.984       267.2844 133.8900 6.621874 136.3459 4.669310 -2.455887 
8.102571 
1 1 1 10  5   29 o 35.69121 6.445798  271.6254       93.06427 375.5059       
162.7795 221.1829       113.4309 40.22586 9.730598 31.15656 8.456282 9.069298 
12.89160 
1 1 1 10  5   30 o 77.30308 3.847762  1290.099       113.5787 1279.673       
208.8816 1294.475       135.3338 76.66489 6.489702 77.94126 4.135803 -1.276367 
7.695524 
1 1 1 10  5   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  5   32 o 24.45021 7.383474  56.01302       107.5760 97.94739       
253.4855 46.80140       118.8054 28.33566 12.08194 20.56476 8.490550 7.770901 
14.76695 
1 1 1 10  5   33 o 19.18438 6.402431  -72.88209      107.1383 -213.7150      
256.9987 -43.25819      117.8691 21.46659 10.25213 16.90217 7.671914 4.564421 
12.80486 
1 1 1 10  5   34 o 44.86713 7.418609  551.8715       115.8029 474.9860       
270.6003 569.1091       128.1284 39.51263 13.53571 50.22164 6.076811 -10.70901 
14.83722 
1 1 1 10  5   35 o 48.91833 7.200730  672.0064       124.0237 557.9526       
254.7313 707.4438       141.9899 42.20307 13.05551 55.63359 6.079128 -13.43053 
14.40146 
1 1 1 10  5   36 o 30.81755 6.945065  286.9555       110.8091 119.1316       
214.0420 348.4027       129.5159 25.14136 10.91798 36.49374 8.586823 -11.35238 
13.89013 
1 1 1 10  5   37 o 33.84430 5.574569  377.6058       115.9577 -159.0532      
216.5742 593.2786       137.2952 18.47442 8.952601 49.21418 6.644863 -30.73976 
11.14914 
1 1 1 10  6   0  o 262.9030 2.647165  14474.30       285.1714 14313.20       
364.4862 14728.55       457.8969 261.0440 3.325741 264.7621 4.119391 -3.718048 
5.294331 
1 1 1 10  6   1  f 99.87913 2.225399  2085.322       93.06570 2306.392       
136.6707 1894.185       127.0814 104.7923 3.106471 94.96597 3.187388 9.826309 
4.450799 
1 1 1 10  6   2  o 110.9428 2.413892  2562.567       109.6848 2485.883       
139.4947 2686.767       177.5284 108.7946 3.054017 113.0910 3.739047 -4.296364 
4.827783 
1 1 1 10  6   3  o 199.7885 3.337859  8404.210       257.6123 8349.854       
466.2427 8428.096       309.0751 199.2758 5.572865 200.3011 3.675375 -1.025330 
6.675717 
1 1 1 10  6   4  o 465.0793 5.466539  45390.84       1057.112 46672.70       
1620.715 44441.71       1394.600 470.6810 8.201648 459.4777 7.229465 11.20334 
10.93308 
1 1 1 10  6   5  o 176.1248 3.525490  6562.479       249.8048 6671.595       
312.9080 6370.718       414.8090 178.1913 4.182647 174.0582 5.676423 4.133118 
7.050980 
1 1 1 10  6   6  o 383.9252 6.024742  31047.01       970.5868 30603.83       
1347.157 31525.35       1399.577 381.0953 8.419876 386.7550 8.619498 -5.659698 
12.04948 
1 1 1 10  6   7  o 186.6989 3.701699  7330.937       286.7176 7308.098       
440.2976 7347.751       377.7996 186.4248 5.625533 186.9730 4.812865 
-0.5482025     7.403397 
1 1 1 10  6   8  o 310.2038 5.320760  20553.03       644.0758 21078.15       
783.9227 19462.22       1129.848 316.5746 5.898184 303.8331 8.857390 12.74146 
10.64152 
1 1 1 10  6   9  o 210.0614 4.247096  9268.607       359.4088 9327.463       
600.4792 9235.753       448.6468 210.5210 6.793969 209.6018 5.098360 0.9191742 
8.494192 
1 1 1 10  6   10 o 293.8639 8.585464  17532.05       875.6370 16980.11       
983.8082 19636.02       1920.821 283.8553 8.255333 303.8726 15.05623 -20.01733 
17.17093 
1 1 1 10  6   11 o 178.3761 5.202961  6684.728       385.8518 6813.287       
590.7150 6589.058       509.5837 179.8310 7.824101 176.9213 6.860513 2.909729 
10.40592 
1 1 1 10  6   12 o 127.8029 5.977603  3436.316       320.7354 0.000000       
0.000000 3436.316       320.7354 ?        ?        127.8029 5.977603 ? ? 
1 1 1 10  6   13 o 256.4745 10.13233  13973.54       1085.463 14199.07       
1624.398 13791.58       1459.034 258.1814 14.98610 254.7675 13.64088 3.413834 
20.26467 
1 1 1 10  6   14 o 267.7025 9.672928  15055.35       1037.302 15873.29       
1772.631 14629.41       1279.189 272.6684 15.48477 262.7365 11.59673 9.931824 
19.34586 
1 1 1 10  6   15 o 38.96451 7.321426  341.5722       128.2874 462.5358       
170.3433 183.0605       194.9971 45.99774 9.145614 31.93127 11.43551 14.06647 
14.64285 
1 1 1 10  6   16 o 352.1971 10.25132  26443.06       1495.705 25971.64       
1954.846 27108.73       2322.957 348.9288 13.34433 355.4653 15.56557 -6.536560 
20.50264 
1 1 1 10  6   17 o 377.5898 13.04242  30473.64       1946.604 29440.38       
2365.991 32638.40       3424.631 369.9544 15.23302 385.2252 21.17484 -15.27075 
26.08484 
1 1 1 10  6   18 o 127.9260 5.550429  3463.228       297.9442 3498.024       
415.9184 3426.551       427.0139 128.6046 7.703230 127.2475 7.993077 1.357109 
11.10086 
1 1 1 10  6   19 o 224.2556 6.322049  10703.60       544.0132 10642.38       
994.8618 10729.71       649.7634 223.2412 10.61474 225.2699 6.870259 -2.028702 
12.64410 
1 1 1 10  6   20 f 136.2829 4.208261  3871.514       219.8514 4054.931       
408.2293 3796.584       260.9220 138.3493 7.028266 134.2165 4.630477 4.132813 
8.416522 
1 1 1 10  6   21 o 141.2752 5.029321  4326.023       279.8381 3969.604       
477.4966 4512.477       345.3627 136.4535 8.335019 146.0970 5.630608 -9.643463 
10.05864 
1 1 1 10  6   22 f 88.94858 4.066573  1800.434       133.2110 1400.586       
242.7184 1972.790       159.3558 81.14804 7.124357 96.74912 3.923214 -15.60108 
8.133146 
1 1 1 10  6   23 o 87.76714 3.752789  1643.874       127.0696 1592.662       
228.8060 1666.713       152.7995 86.63329 6.290768 88.90098 4.093892 -2.267693 
7.505579 
1 1 1 10  6   24 o 196.2297 4.929090  8223.201       403.3724 7846.242       
597.7697 8538.354       546.5716 191.9151 7.419008 200.5444 6.491688 -8.629303 
9.858179 
1 1 1 10  6   25 o 42.69532 6.147421  370.5088       100.0696 508.5351       
183.6528 312.2242       119.3420 47.83108 9.482656 37.55957 7.825751 10.27151 
12.29484 
1 1 1 10  6   26 o 31.70232 6.208192  247.8726       95.37076 14.13857       
179.1037 340.3752       112.6732 24.05112 10.20195 39.35352 7.077196 -15.30240 
12.41638 
1 1 1 10  6   27 o 177.0872 3.836617  6674.583       284.8941 6364.376       
405.6518 6976.515       400.2056 172.9553 5.586511 181.2193 5.260172 -8.263992 
7.673234 
1 1 1 10  6   28 o 43.69804 5.851336  460.8851       95.16926 329.8472       
168.1733 522.6188       115.4303 37.91194 10.29959 49.48414 5.556161 -11.57220 
11.70267 
1 1 1 10  6   29 o 102.2745 3.547044  2217.659       146.0515 2282.462       
245.4055 2182.117       181.7421 103.1960 5.664251 101.3529 4.271105 1.843079 
7.094088 
1 1 1 10  6   30 o 56.23119 4.460990  595.5023       95.86234 923.5244       
190.2210 483.8352       110.9863 65.05164 6.965001 47.41072 5.575885 17.64092 
8.921980 
1 1 1 10  6   31 o 29.68542 6.376171  161.1087       77.60415 317.0113       
160.2049 113.3106       88.70631 36.34221 10.12728 23.02863 7.749865 13.31358 
12.75234 
1 1 1 10  6   32 o 21.72853 6.971145  -28.18028      109.0184 -8.330659      
252.3963 -32.73293      120.8757 25.76666 11.48021 17.69041 7.911524 8.076258 
13.94229 
1 1 1 10  6   33 o 25.48508 7.494378  96.67697       112.1261 101.3885       
253.1288 95.52681       125.0652 27.98751 12.00780 22.98266 8.970819 5.004854 
14.98876 
1 1 1 10  6   34 o 22.55280 6.895400  54.37598       109.9989 -146.0958      
262.1112 97.23025       121.1870 22.48550 10.59296 22.62011 8.830362 
-0.1346130     13.79080 
1 1 1 10  6   35 o 27.12974 6.952880  188.8319       111.6142 -55.84062      
241.1402 255.5424       125.9141 22.78074 10.56142 31.47874 9.045801 -8.697998 
13.90576 
1 1 1 10  6   36 o 23.18144 6.852400  98.06306       111.3707 -12.00292      
213.6515 139.1296       130.5039 22.10434 10.12480 24.25854 9.236342 -2.154200 
13.70480 
1 1 1 10  6   37 o 27.31634 7.423306  211.4190       112.6322 233.1343       
217.5257 203.4644       131.6551 27.75811 11.47630 26.87457 9.418945 0.8835468 
14.84661 
1 1 1 10  6   38 o 43.47329 5.879159  695.9614       130.9123 51.19846       
226.6722 1018.661       160.3605 21.90221 10.18695 65.04437 5.872307 -43.14217 
11.75832 
1 1 1 10  7   0  o 133.0677 2.693325  3718.687       150.2827 3694.745       
207.1560 3745.286       218.3492 132.6181 3.720622 133.5172 3.895249 
-0.8990936     5.386650 
1 1 1 10  7   1  o 305.3565 4.288211  19381.95       499.9481 19066.90       
591.9249 20166.08       933.8264 301.2013 4.680916 309.5117 7.186379 -8.310364 
8.576423 
1 1 1 10  7   2  f 66.90042 2.514680  941.2410       70.47105 957.8840       
96.96402 922.6082       102.5966 67.52968 3.420086 66.27116 3.687477 1.258514 
5.029361 
1 1 1 10  7   3  o 222.8837 4.046727  10446.54       363.7353 10446.58       
455.0522 10446.47       605.3206 222.9390 4.861791 222.8285 6.470470 0.1104889 
8.093453 
1 1 1 10  7   4  o 211.1992 3.330179  9409.588       274.6131 9278.968       
486.5467 9470.650       332.6657 210.0727 5.516658 212.3257 3.731870 -2.253021 
6.660358 
1 1 1 10  7   5  o 237.6450 4.084929  11972.23       376.2665 12129.94       
453.8538 11625.55       672.8925 240.2523 4.499554 235.0377 6.819134 5.214630 
8.169858 
1 1 1 10  7   6  o 211.7096 4.100223  9417.139       350.7253 9458.048       
581.7614 9393.780       439.5930 212.0183 6.535707 211.4009 4.952962 0.6174774 
8.200445 
1 1 1 10  7   7  o 193.2532 3.763190  7868.850       304.1814 7633.467       
446.1107 8073.372       415.8380 190.5318 5.576943 195.9747 5.054118 -5.442871 
7.526380 
1 1 1 10  7   8  o 44.07887 3.636559  418.8488       65.51551 473.2172       
87.21464 348.4335       99.25445 47.45432 4.377586 40.70341 5.808182 6.750912 
7.273117 
1 1 1 10  7   9  o 301.0919 4.171091  19068.69       475.2885 19070.11       
561.5900 19065.11       892.2850 301.2391 4.440471 300.9446 7.062168 0.2944946 
8.342182 
1 1 1 10  7   10 o 260.3463 6.843262  13695.73       482.1518 13515.03       
511.8171 15120.34       1437.102 253.5685 4.807735 267.1242 12.81431 -13.55571 
13.68652 
1 1 1 10  7   11 o 303.8392 9.833158  19535.02       1232.140 19958.57       
1941.784 19249.54       1594.199 306.2771 15.10106 301.4013 12.59849 4.875732 
19.66632 
1 1 1 10  7   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  7   13 o 183.9521 7.149464  7148.347       551.8881 7223.437       
794.4998 7078.330       767.1916 184.8700 10.23643 183.0341 9.983732 1.835938 
14.29893 
1 1 1 10  7   14 o 127.6955 5.381412  3457.960       284.7300 3580.509       
377.4736 3296.189       433.6929 130.3829 6.895835 125.0081 8.263524 5.374863 
10.76282 
1 1 1 10  7   15 o 308.5746 9.690781  19886.20       1120.083 19417.74       
1308.403 21171.30       2167.085 302.8842 10.28930 314.2650 16.42483 -11.38080 
19.38156 
1 1 1 10  7   16 o 51.79948 6.307978  619.9828       126.2274 769.3607       
165.2756 410.8851       195.5421 60.42546 6.514932 43.17351 10.80361 17.25195 
12.61596 
1 1 1 10  7   17 o 87.29404 4.120399  1582.190       147.8560 1715.456       
238.2857 1498.756       188.5420 90.21475 6.291317 84.37332 5.322603 5.841431 
8.240799 
1 1 1 10  7   18 o 161.8616 5.016637  5431.297       316.2957 5807.316       
573.5779 5266.989       379.1549 165.6384 8.248075 158.0849 5.712780 7.553513 
10.03327 
1 1 1 10  7   19 o 129.4337 4.245573  3556.838       222.7352 3451.733       
363.3017 3620.137       281.9375 127.7991 6.771122 131.0682 5.123617 -3.269081 
8.491145 
1 1 1 10  7   20 f 128.8701 4.682937  3398.862       223.2263 3758.457       
444.8359 3277.830       258.0730 133.0526 7.963385 124.6877 4.929920 8.364807 
9.365874 
1 1 1 10  7   21 o 103.9685 4.115881  2180.776       150.4855 2481.067       
325.2923 2099.011       169.7411 108.1178 7.166343 99.81921 4.050363 8.298607 
8.231763 
1 1 1 10  7   22 o 105.3427 3.686503  2316.372       143.3789 2407.007       
282.4629 2284.914       166.4117 106.5457 6.314609 104.1398 3.806172 2.405952 
7.373007 
1 1 1 10  7   23 o 33.56063 6.628015  235.2685       90.41330 286.9155       
167.7455 214.1209       107.3395 36.03558 10.46876 31.08568 8.131880 4.949902 
13.25603 
1 1 1 10  7   24 o 172.2903 3.906559  6286.452       278.4900 6258.349       
431.4808 6306.517       364.6013 171.8393 5.980812 172.7414 5.027394 
-0.9021149     7.813118 
1 1 1 10  7   25 o 76.38338 3.618184  1181.451       107.1803 1370.102       
199.2822 1104.672       127.1337 80.40027 5.903807 72.36648 4.184506 8.033791 
7.236369 
1 1 1 10  7   26 o 65.02164 4.182838  791.9675       97.42899 1109.713       
213.5103 708.4037       109.4934 72.13834 7.049750 57.90495 4.503949 14.23339 
8.365676 
1 1 1 10  7   27 o 79.60115 3.980366  1386.991       122.6040 1240.023       
214.5165 1458.288       149.4119 76.16375 6.708624 83.03855 4.285748 -6.874802 
7.960733 
1 1 1 10  7   28 o 51.35065 4.957101  553.0531       99.90011 608.5207       
179.4424 528.1396       120.2606 52.96354 8.069919 49.73775 5.759150 3.225796 
9.914202 
1 1 1 10  7   29 o 26.60875 6.677624  122.9466       88.01919 201.2851       
160.0981 89.01033       105.3734 30.70002 10.41142 22.51749 8.364507 8.182526 
13.35525 
1 1 1 10  7   30 o 40.95332 5.656734  483.9705       92.08356 114.0347       
162.7636 658.1167       111.6738 26.39988 10.24843 55.50675 4.792106 -29.10687 
11.31347 
1 1 1 10  7   31 o 126.6497 3.407664  3331.535       157.0794 3672.070       
319.8842 3223.330       180.3167 130.1091 5.856067 123.1902 3.486427 6.918892 
6.815328 
1 1 1 10  7   32 o 30.04119 7.605321  189.0884       108.8519 234.8434       
221.7837 174.5691       124.9347 32.39826 12.11504 27.68411 9.197257 4.714148 
15.21064 
1 1 1 10  7   33 o 32.33345 7.752675  258.1039       113.5508 191.6846       
266.4456 272.8441       125.5200 31.14165 12.76307 33.52524 8.804534 -2.383589 
15.50535 
1 1 1 10  7   34 f 35.85946 13.21034  359.2281       261.8314 359.2281       
261.8314 0.000000       0.000000 35.85946 13.21034 ?        ?        ? ? 
1 1 1 10  7   35 o 42.49862 7.400820  413.4444       112.1337 639.5862       
247.5656 355.0740       125.7755 47.04248 12.36990 37.95475 8.128605 9.087723 
14.80164 
1 1 1 10  7   36 o 36.11098 7.634684  226.2075       114.9184 746.6309       
257.8833 97.25542       128.3687 49.89741 12.35877 22.32456 8.967411 27.57285 
15.26937 
1 1 1 10  7   37 o 28.44497 7.586526  214.5725       111.4725 303.8114       
223.5821 185.0515       128.5954 30.69784 11.99200 26.19209 9.295879 4.505747 
15.17305 
1 1 1 10  7   38 o 23.07864 7.054086  116.4908       111.7997 195.7023       
222.3783 89.69778       129.3328 25.43754 11.08827 20.71975 8.723005 4.717794 
14.10817 
1 1 1 10  8   0  o 249.4606 3.543161  13216.62       346.2474 13466.54       
422.0380 12702.08       605.5767 253.1701 3.970637 245.7512 5.869412 7.418945 
7.086322 
1 1 1 10  8   1  o 167.5277 2.912560  5961.255       200.9320 6269.916       
263.8828 5535.366       309.9699 172.7619 3.638180 162.2935 4.549248 10.46841 
5.825119 
1 1 1 10  8   2  o 355.6025 4.612368  26538.48       556.3435 26491.10       
623.9161 26722.36       1229.123 355.0728 4.185331 356.1321 8.220631 -1.059296 
9.224736 
1 1 1 10  8   3  f 128.6294 2.489815  3479.672       132.3574 3451.889       
205.7854 3499.275       172.8550 128.1831 3.823885 129.0756 3.189767 
-0.8924561     4.979630 
1 1 1 10  8   4  o 93.41403 2.649021  1831.958       103.8376 1916.428       
148.7994 1751.777       144.9724 95.51225 3.710762 91.31580 3.781467 4.196449 
5.298042 
1 1 1 10  8   5  o 418.7717 5.574073  36157.75       718.0213 35799.59       
781.5389 38096.39       1818.272 412.7375 4.510221 424.8059 10.19505 -12.06845 
11.14815 
1 1 1 10  8   6  o 177.9288 2.576197  6622.823       191.8177 6980.999       
285.4990 6328.099       258.9784 182.2926 3.730410 173.5650 3.554041 8.727615 
5.152394 
1 1 1 10  8   7  o 404.0959 5.794674  34273.05       970.7982 35224.97       
1505.227 33595.07       1270.306 408.7734 8.770826 399.4183 7.575329 9.355103 
11.58935 
1 1 1 10  8   8  o 261.8958 4.317819  14677.15       410.3168 14933.06       
475.5202 13931.19       811.8508 266.5825 4.248724 257.2091 7.518150 9.373383 
8.635638 
1 1 1 10  8   9  o 434.9059 5.480840  39829.74       992.3509 39762.76       
1320.236 39916.73       1504.551 434.5805 7.236065 435.2313 8.233941 
-0.6507568     10.96168 
1 1 1 10  8   10 o 47.95313 3.998002  486.7290       79.12301 601.5325       
113.5799 378.4868       110.2864 53.49133 5.057538 42.41492 6.193334 11.07640 
7.996004 
1 1 1 10  8   11 o 119.9856 5.120941  3011.277       254.0851 3145.973       
398.9372 2919.347       329.5774 122.1993 7.776015 117.7719 6.665563 4.427361 
10.24188 
1 1 1 10  8   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  8   13 o 194.9252 5.766033  8006.295       470.4888 8067.604       
693.5930 7954.039       640.3365 195.5852 8.446754 194.2651 7.851172 1.320038 
11.53207 
1 1 1 10  8   14 o 185.2153 5.784341  7137.164       442.5665 6722.629       
569.9255 7766.811       702.4023 178.5922 7.601106 191.8385 8.721101 -13.24631 
11.56868 
1 1 1 10  8   15 o 55.29935 5.232586  653.1642       119.8756 729.8969       
163.8079 564.6886       175.8962 58.86556 6.628185 51.73314 8.098579 7.132427 
10.46517 
1 1 1 10  8   16 o 203.6464 6.138954  8744.813       521.6724 8598.316       
697.5930 8930.684       785.7645 201.7832 8.234517 205.5096 9.107125 -3.726425 
12.27791 
1 1 1 10  8   17 o 65.57884 4.518268  896.4922       111.6987 929.3915       
212.8620 883.9907       131.2161 66.34133 7.642492 64.81636 4.821959 1.524971 
9.036535 
1 1 1 10  8   18 o 74.44186 3.801711  1193.516       115.4653 1036.448       
178.8175 1305.838       151.2161 70.11121 6.074964 78.77253 4.572401 -8.661324 
7.603423 
1 1 1 10  8   19 o 128.2769 4.414531  3396.797       224.5559 3705.478       
395.1431 3249.554       272.9074 132.3796 7.109753 124.1742 5.234861 8.205406 
8.829062 
1 1 1 10  8   20 o 99.50301 3.823609  1978.444       137.5963 2309.624       
287.2727 1879.846       156.7462 104.5029 6.547677 94.50314 3.950681 9.999733 
7.647219 
1 1 1 10  8   21 o 157.2800 4.067492  5271.057       261.3127 5037.944       
416.1194 5422.843       335.7768 154.2512 6.425554 160.3089 4.989008 -6.057678 
8.134983 
1 1 1 10  8   22 o 89.65460 3.740834  1597.707       128.6073 1949.958       
246.3869 1465.793       150.7772 95.93760 6.117161 83.37160 4.307631 12.56599 
7.481668 
1 1 1 10  8   23 o 46.76184 5.585648  548.2922       91.46499 325.2524       
164.8041 647.5718       109.9530 38.15087 10.12067 55.37282 4.729675 -17.22195 
11.17130 
1 1 1 10  8   24 o 175.3891 3.911845  6504.823       283.6497 6544.885       
441.8814 6476.746       369.9247 175.7241 5.989568 175.0541 5.033409 0.6700287 
7.823690 
1 1 1 10  8   25 o 113.2983 3.186837  2757.282       140.5534 2579.420       
246.7552 2842.705       171.0067 110.4222 5.322690 116.1745 3.506093 -5.752304 
6.373673 
1 1 1 10  8   26 o 71.35339 3.955988  1045.625       111.8785 1179.717       
198.3514 983.0604       135.4877 74.50771 6.340961 68.19907 4.731976 6.308640 
7.911977 
1 1 1 10  8   27 o 55.23634 5.130171  704.0662       102.5538 561.3350       
183.2466 769.1578       123.7481 50.21870 9.019110 60.25397 4.891860 -10.03527 
10.26034 
1 1 1 10  8   28 o 128.8616 3.099121  3561.699       162.8496 3324.068       
258.5939 3717.879       209.6423 125.0987 4.923641 132.6246 3.765096 -7.525810 
6.198241 
1 1 1 10  8   29 o 77.53909 3.969390  1269.616       116.3264 1322.981       
220.5596 1249.052       136.9178 78.35039 6.705109 76.72781 4.250383 1.622581 
7.938781 
1 1 1 10  8   30 o 38.85359 5.817853  351.1432       81.59016 309.9619       
164.4418 364.5919       93.97314 36.47097 10.29202 41.23621 5.428078 -4.765236 
11.63571 
1 1 1 10  8   31 o 32.33176 6.284338  223.6400       78.92812 286.6700       
159.2970 203.1315       90.86604 34.85089 10.22661 29.81264 7.306713 5.038252 
12.56868 
1 1 1 10  8   32 o 34.38708 6.824261  317.4161       110.6604 87.00834       
214.7890 400.6746       129.1153 27.02364 11.30218 41.75051 7.651326 -14.72687 
13.64852 
1 1 1 10  8   33 o 58.89730 5.627853  777.7693       120.4570 827.0245       
241.0651 761.3785       139.0628 58.88807 9.750525 58.90653 5.623006 
-0.1845932E-01 11.25571 
1 1 1 10  8   34 o 32.25981 7.976175  208.4713       111.2245 413.5409       
252.4236 159.0642       123.9007 38.32084 13.07320 26.19878 9.141606 12.12206 
15.95235 
1 1 1 10  8   35 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  8   36 o 20.40722 6.732177  -50.10542      111.2718 34.64155       
247.9362 -71.47976      124.5158 24.62494 11.15668 16.18950 7.537729 8.435446 
13.46435 
1 1 1 10  8   37 o 20.86139 6.466147  35.77967       112.2869 -164.7643      
218.6248 107.6364       130.8665 19.19459 9.235954 22.52819 9.052149 -3.333601 
12.93229 
1 1 1 10  8   38 o 24.29142 6.771281  161.9149       112.7803 -15.01613      
208.9607 234.6388       133.9680 20.54587 9.627834 28.03697 9.523958 -7.491100 
13.54256 
1 1 1 10  9   0  o 271.2566 3.021981  15369.49       340.1652 16051.11       
527.3556 14883.80       445.1554 276.3578 4.545199 266.1555 3.983798 10.20233 
6.043962 
1 1 1 10  9   1  o 169.8876 2.648501  6066.911       188.7910 6212.570       
264.6621 5916.011       269.3820 171.9677 3.665776 167.8075 3.823652 4.160233 
5.297002 
1 1 1 10  9   2  o 334.6269 3.781409  23583.76       528.4088 23960.87       
714.6013 23128.79       784.9020 337.6132 5.041567 331.6406 5.637271 5.972595 
7.562818 
1 1 1 10  9   3  o 320.0829 4.923149  21276.81       549.8723 21051.49       
621.8831 22084.21       1177.209 316.4855 4.680326 323.6802 8.662801 -7.194763 
9.846297 
1 1 1 10  9   4  o 41.95579 3.419724  366.5448       59.95301 414.8994       
89.79792 327.6563       80.52993 44.42930 4.814131 39.48228 4.858209 4.947021 
6.839448 
1 1 1 10  9   5  o 246.1504 3.144350  12694.14       312.3709 12872.53       
520.7321 12593.86       390.4156 247.4609 5.012205 244.8399 3.798097 2.620972 
6.288699 
1 1 1 10  9   6  f 257.5496 2.726822  13898.38       291.8145 14191.05       
447.9818 13682.67       384.6062 259.8843 4.105834 255.2148 3.589479 4.669464 
5.453644 
1 1 1 10  9   7  f 175.7729 3.077450  6511.330       213.2871 6437.454       
371.1449 6547.758       260.6201 174.9941 5.051741 176.5518 3.516066 -1.557617 
6.154901 
1 1 1 10  9   8  o 116.5994 2.907083  2857.171       141.9404 2864.049       
194.0033 2849.249       208.2178 116.7545 3.957824 116.4444 4.259127 0.3101883 
5.814167 
1 1 1 10  9   9  o 83.21538 2.430881  1455.220       84.88931 1427.630       
121.1108 1481.867       119.0197 82.43867 3.499235 83.99208 3.375216 -1.553406 
4.861762 
1 1 1 10  9   10 o 193.5741 2.909799  7872.033       234.9596 7887.653       
352.9992 7859.607       314.8325 193.7357 4.339954 193.4125 3.877181 0.3231964 
5.819599 
1 1 1 10  9   11 o 476.4138 14.68935  48975.03       2906.551 49512.49       
3854.022 48266.18       4426.061 480.3825 19.10945 472.4450 22.31450 7.937500 
29.37870 
1 1 1 10  9   12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  9   13 o 241.3488 7.078249  12431.64       637.1656 12581.60       
748.6102 12037.44       1213.758 244.3885 7.296187 238.3091 12.13145 6.079407 
14.15650 
1 1 1 10  9   14 o 434.9342 13.51668  40285.88       2244.517 39651.29       
2661.248 41849.66       4177.599 431.3175 14.69635 438.5510 22.68965 -7.233490 
27.03337 
1 1 1 10  9   15 o 167.9174 5.195005  5813.298       336.8021 5621.364       
400.5887 6276.188       622.0994 163.4236 5.838549 172.4112 8.594397 -8.987549 
10.39001 
1 1 1 10  9   16 o 85.49318 3.376093  1555.010       116.8292 1468.672       
189.8093 1607.668       148.2358 83.53627 5.412071 87.45010 4.037513 -3.913826 
6.752186 
1 1 1 10  9   17 o 74.51939 4.233335  1105.809       123.6252 1348.986       
227.4383 1003.833       147.2826 79.97726 6.773577 69.06152 5.079682 10.91574 
8.466671 
1 1 1 10  9   18 o 123.7815 3.433819  3109.983       163.7387 3514.913       
306.6883 2948.544       193.6470 129.1534 5.656039 118.4095 3.895339 10.74387 
6.867638 
1 1 1 10  9   19 o 163.5152 5.088193  5683.250       335.4240 5547.135       
554.8054 5761.664       421.0988 161.7915 8.167819 165.2390 6.070054 -3.447525 
10.17639 
1 1 1 10  9   20 o 135.9348 4.716370  3926.658       238.2170 3869.302       
458.5006 3947.866       278.8002 135.0088 8.089076 136.8609 4.852157 -1.852066 
9.432739 
1 1 1 10  9   21 o 101.0537 4.254891  2203.934       165.4770 2046.165       
295.8083 2275.792       199.6360 98.20959 7.174267 103.8978 4.576713 -5.688171 
8.509783 
1 1 1 10  9   22 o 77.07304 3.826988  1171.274       106.3335 1424.387       
224.9094 1098.410       120.6719 81.94868 6.537124 72.19740 3.981125 9.751282 
7.653976 
1 1 1 10  9   23 o 180.1579 5.239198  6703.607       355.4019 7397.760       
687.4929 6450.446       415.1826 185.7788 8.814407 174.5370 5.665952 11.24184 
10.47840 
1 1 1 10  9   24 o 26.73393 6.714075  111.6141       88.24947 205.0983       
165.0161 74.16734       104.4393 31.59468 10.57012 21.87318 8.281771 9.721493 
13.42815 
1 1 1 10  9   25 o 43.58154 5.515743  369.5749       85.02272 502.4869       
180.8156 331.8452       96.33754 47.58404 9.385150 39.57904 5.797642 8.005001 
11.03149 
1 1 1 10  9   26 o 115.3956 4.027777  2876.655       186.0817 2631.229       
306.7734 3019.522       234.0577 111.2439 6.568444 119.5472 4.663419 -8.303329 
8.055553 
1 1 1 10  9   27 o 105.3561 3.352366  2340.911       140.2014 2375.821       
242.1180 2323.300       171.9665 105.8049 5.450573 104.9073 3.904446 0.8976898 
6.704733 
1 1 1 10  9   28 f 79.55782 3.925641  1373.707       122.6818 1271.470       
210.8392 1426.041       150.8483 77.06239 6.516732 82.05325 4.378908 -4.990860 
7.851283 
1 1 1 10  9   29 o 59.41731 4.142852  740.3102       92.33835 790.2252       
178.2205 721.9942       107.9586 60.51086 7.015286 58.32376 4.408927 2.187092 
8.285704 
1 1 1 10  9   30 o 56.10135 4.351642  684.5312       90.93513 663.4503       
173.0261 692.5759       106.8872 55.15736 7.471869 57.04533 4.462995 -1.887974 
8.703284 
1 1 1 10  9   31 o 105.2180 3.205322  2424.490       132.1916 2191.871       
226.4327 2544.764       162.8182 100.9318 5.343575 109.5042 3.541549 -8.572380 
6.410645 
1 1 1 10  9   32 o 51.71841 6.099704  588.4417       112.9636 673.8598       
225.5208 559.8317       130.5176 52.84014 10.53916 50.59669 6.144239 2.243450 
12.19941 
1 1 1 10  9   33 o 28.90570 7.507800  141.9087       106.4314 308.8241       
217.2988 89.22833       122.0769 35.07153 12.11891 22.73986 8.865673 12.33167 
15.01560 
1 1 1 10  9   34 o 51.17459 6.644401  660.3840       119.9059 584.5435       
233.3183 687.6030       139.7764 46.75013 11.86318 55.59904 5.988079 -8.848907 
13.28880 
1 1 1 10  9   35 o 19.95350 6.533648  -55.18574      107.2329 -4.720056      
225.6600 -69.90536      121.8723 23.63803 10.68003 16.26896 7.529356 7.369068 
13.06730 
1 1 1 10  9   36 o 36.57840 8.557630  339.0880       129.2158 0.000000       
0.000000 339.0880       129.2158 ?        ?        36.57840 8.557630 ? ? 
1 1 1 10  9   37 o 14.64601 5.138435  -264.0128      111.6257 -675.6551      
243.6020 -154.6055      125.5868 15.08081 7.640219 14.21121 6.873217 0.8695965 
10.27687 
1 1 1 10  9   38 o 29.96151 6.257329  274.7928       113.6732 -57.77585      
198.0535 438.1664       138.8139 19.57408 9.217478 40.34893 8.464915 -20.77485 
12.51466 
1 1 1 10  9   39 o 20.23988 6.421463  20.60043       107.7230 173.1694       
186.4131 -55.89139      131.9930 24.35089 10.37123 16.12888 7.574855 8.222008 
12.84293 
1 1 1 10  10  0  o 25.60626 4.467021  144.9207       48.64417 102.5478       
70.16559 184.1334       67.49838 22.12376 6.853570 29.08875 5.731116 -6.964989 
8.934042 
1 1 1 10  10  1  o 124.6663 2.151411  3240.922       112.0929 3506.394       
168.6228 3030.723       150.0451 129.2065 3.108517 120.1261 2.975129 9.080414 
4.302821 
1 1 1 10  10  2  o 516.3452 6.406437  56353.59       1363.586 55561.33       
2133.788 56900.46       1772.803 513.0350 9.906618 519.6553 8.125804 -6.620239 
12.81287 
1 1 1 10  10  3  o 150.6737 2.738571  4749.650       170.6005 4882.897       
267.1497 4657.892       221.6907 152.4404 4.174224 148.9071 3.546116 3.533218 
5.477142 
1 1 1 10  10  4  o 167.7640 2.619359  5919.215       179.6833 5941.781       
229.6532 5883.596       288.5265 168.1916 3.252290 167.3365 4.106919 0.8551788 
5.238719 
1 1 1 10  10  5  f 75.33823 2.557442  1190.717       80.75497 1291.860       
116.3813 1096.802       112.1459 78.42068 3.534872 72.25578 3.696852 6.164909 
5.114884 
1 1 1 10  10  6  o 399.0164 6.624668  33594.91       1100.630 33645.52       
1466.257 33529.58       1665.823 399.4879 8.742336 398.5448 9.955725 0.9431152 
13.24934 
1 1 1 10  10  7  o 157.8957 3.288932  5234.311       217.3696 5170.285       
295.3339 5309.992       321.0932 156.8501 4.484869 158.9414 4.811885 -2.091293 
6.577863 
1 1 1 10  10  8  o 120.0777 2.390989  3003.501       119.3941 2857.412       
156.8085 3205.020       184.1702 116.6364 3.202258 123.5190 3.551457 -6.882561 
4.781977 
1 1 1 10  10  9  o 166.6488 3.485874  5809.737       236.5551 5723.979       
298.9697 5953.312       386.8360 165.0398 4.314788 168.2578 5.476119 -3.217972 
6.971748 
1 1 1 10  10  10 o 94.75726 2.855035  1884.728       112.2237 1874.173       
147.5357 1899.219       172.8762 94.44972 3.720638 95.06479 4.331482 
-0.6150665     5.710069 
1 1 1 10  10  11 o 164.5930 5.231127  5709.354       358.5515 5679.442       
541.9225 5732.641       478.1761 164.1735 7.862401 165.0124 6.902276 
-0.8388977     10.46225 
1 1 1 10  10  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  10  13 o 199.7004 5.214184  8323.549       431.2012 7952.479       
559.8579 8864.658       676.0703 194.3293 6.862157 205.0715 7.852494 -10.74223 
10.42837 
1 1 1 10  10  14 o 186.8817 4.711754  7258.000       355.7352 7012.254       
442.6554 7706.133       597.7570 182.5488 5.775743 191.2147 7.446025 -8.665894 
9.423508 
1 1 1 10  10  15 o 178.9905 4.650178  6778.996       343.1515 6582.002       
534.5370 6917.090       447.5473 176.7067 7.205195 181.2743 5.880627 -4.567612 
9.300356 
1 1 1 10  10  16 o 122.6323 4.371061  3111.555       203.5427 3299.479       
385.3542 3038.839       239.7095 125.0688 7.338920 120.1958 4.750257 4.873047 
8.742122 
1 1 1 10  10  17 o 268.6661 7.220985  15378.10       784.7585 15074.34       
1289.044 15556.99       989.1952 266.1546 11.53598 271.1776 8.688588 -5.022980 
14.44197 
1 1 1 10  10  18 o 194.4686 4.752878  8007.718       381.3089 7838.672       
594.0091 8126.198       497.2936 192.6150 7.345545 196.3221 6.033436 -3.707123 
9.505755 
1 1 1 10  10  19 o 47.87369 5.848922  546.3047       102.5350 371.1755       
178.1265 633.0901       125.3928 40.94635 10.35065 54.80103 5.450105 -13.85468 
11.69784 
1 1 1 10  10  20 f 94.64452 3.786519  1887.936       132.6610 1893.155       
258.0962 1886.062       154.6542 94.62392 6.496832 94.66510 3.891283 
-0.4117584E-01 7.573039 
1 1 1 10  10  21 o 261.5331 5.115008  14459.51       530.6969 14674.19       
917.3771 14351.54       650.6135 262.5374 8.322960 260.5287 5.948241 2.008667 
10.23002 
1 1 1 10  10  22 o 142.9076 3.206530  4370.755       187.1219 4016.711       
294.7324 4609.830       242.1963 137.8971 5.090889 147.9181 3.900023 -10.02100 
6.413060 
1 1 1 10  10  23 o 156.9802 4.757433  5084.781       274.6178 5553.864       
550.3637 4929.273       316.8851 161.2249 8.130902 152.7356 4.941771 8.489319 
9.514866 
1 1 1 10  10  24 o 139.5539 4.089284  4120.492       223.0166 4138.902       
395.9297 4111.937       269.9075 139.5518 6.757772 139.5559 4.606678 
-0.4013062E-02 8.178568 
1 1 1 10  10  25 o 43.10574 5.375016  403.4834       84.24931 403.4670       
161.6029 403.4894       98.72752 42.54078 9.304150 43.67071 5.384793 -1.129932 
10.75003 
1 1 1 10  10  26 o 79.14914 3.918621  1413.001       118.6468 1096.374       
202.5993 1578.269       146.3721 71.79493 6.721486 86.50336 4.030383 -14.70843 
7.837242 
1 1 1 10  10  27 o 52.44090 4.710798  555.9269       97.37662 675.9094       
176.8445 503.7192       116.6541 56.17981 7.497775 48.70198 5.705246 7.477833 
9.421596 
1 1 1 10  10  28 o 79.98874 3.823021  1335.165       120.1815 1434.418       
214.4008 1289.690       145.1252 81.94267 6.232141 78.03480 4.429713 3.907875 
7.646041 
1 1 1 10  10  29 o 99.17593 3.773564  2027.495       131.3881 2227.724       
281.9945 1971.976       148.4905 101.7892 6.598728 96.56270 3.662776 5.226463 
7.547128 
1 1 1 10  10  30 o 97.19117 2.850058  1915.797       101.0944 2187.018       
207.0187 1830.865       115.8467 101.2663 4.869291 93.11604 2.963331 8.150253 
5.700116 
1 1 1 10  10  31 o 117.1080 3.760712  2970.303       183.2448 2708.012       
269.6201 3195.463       249.8072 112.0463 5.731603 122.1698 4.870374 -10.12350 
7.521423 
1 1 1 10  10  32 o 30.96846 7.272437  228.3464       107.7812 122.3026       
220.2285 261.7455       123.5943 28.56559 11.63801 33.37133 8.724102 -4.805742 
14.54487 
1 1 1 10  10  33 o 42.33774 7.139119  354.3165       112.0151 669.3132       
234.1325 260.8146       127.5613 51.71946 11.10262 32.95603 8.977745 18.76343 
14.27824 
1 1 1 10  10  34 o 28.04062 7.354124  121.1115       92.86645 321.5832       
222.8658 78.98938       102.1580 35.02604 12.25677 21.05521 8.130440 13.97083 
14.70825 
1 1 1 10  10  35 o 51.50825 6.678677  684.0976       119.9841 600.0854       
235.8437 713.4348       139.3676 46.56680 11.99323 56.44969 5.880598 -9.882885 
13.35735 
1 1 1 10  10  36 o 35.61214 6.790733  385.1164       117.6224 99.30332       
244.6772 471.0185       134.1387 26.37661 11.56296 44.84766 7.124190 -18.47106 
13.58147 
1 1 1 10  10  37 o 20.53976 6.694438  -15.44691      115.2521 -17.74439      
240.7004 -14.76348      131.2797 22.95387 10.60719 18.12566 8.170040 4.828203 
13.38888 
1 1 1 10  10  38 o 25.93100 7.559640  103.4952       143.9518 -89.40294      
187.1866 382.6972       225.2008 18.72661 8.869742 33.13540 12.24419 -14.40878 
15.11928 
1 1 1 10  10  39 o 19.90346 6.140606  40.33200       107.9186 -165.7103      
186.1016 144.7221       132.4651 16.78732 8.179852 23.01961 9.160686 -6.232290 
12.28121 
1 1 1 10  11  0  o 366.8311 3.888374  28143.63       570.6680 28815.34       
972.1729 27790.50       704.8894 370.0509 6.257533 363.6112 4.617478 6.439728 
7.776749 
1 1 1 10  11  1  o 35.61023 3.923714  272.6381       56.55360 256.5545       
85.63315 285.0791       75.31453 34.39510 6.152374 36.82536 4.871388 -2.430267 
7.847428 
1 1 1 10  11  2  o 161.8395 2.638072  5491.905       178.1098 5596.317       
268.5291 5409.888       237.9963 163.2034 3.919073 160.4756 3.532500 2.727722 
5.276143 
1 1 1 10  11  3  o 337.1074 3.697634  23841.80       522.6657 22885.57       
717.4678 24923.12       762.9490 329.9256 5.179735 344.2892 5.278290 -14.36359 
7.395268 
1 1 1 10  11  4  o 326.3074 4.335892  22308.29       568.1826 22713.70       
958.7272 22088.81       705.4089 328.4818 6.951922 324.1331 5.183686 4.348694 
8.671783 
1 1 1 10  11  5  o 177.4326 2.687027  6577.612       199.1797 6968.544       
299.9198 6269.150       266.4131 182.1182 3.922589 172.7470 3.673383 9.371246 
5.374053 
1 1 1 10  11  6  f 160.0384 2.645232  5381.867       173.3837 5385.559       
222.0537 5376.100       277.5214 160.1230 3.303128 159.9538 4.132596 0.1692047 
5.290463 
1 1 1 10  11  7  f 140.7043 3.124901  4158.119       184.3575 4113.580       
253.7344 4207.925       268.3182 139.9102 4.319674 141.4984 4.516684 -1.588181 
6.249801 
1 1 1 10  11  8  o 246.8597 3.971580  12703.42       353.6223 12597.48       
405.9441 13036.75       720.0814 244.8602 3.948837 248.8592 6.892059 -3.999039 
7.943160 
1 1 1 10  11  9  o 319.8878 4.193453  21517.37       556.1202 21578.94       
857.5468 21472.68       730.5707 320.2298 6.378479 319.5457 5.445658 0.6840515 
8.386906 
1 1 1 10  11  10 o 286.9781 4.266442  17411.52       443.3054 17158.52       
888.5134 17495.37       511.5204 285.4204 7.414810 288.5359 4.222641 -3.115540 
8.532884 
1 1 1 10  11  11 o 633.8611 18.05282  87185.85       4637.442 85454.80       
5822.308 90189.70       7669.702 628.4755 22.06622 639.2467 28.57795 -10.77118 
36.10564 
1 1 1 10  11  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  11  13 o 194.6409 5.910459  7961.843       479.7190 7750.007       
638.5049 8236.400       726.9103 191.7258 7.932403 197.5559 8.764193 -5.830093 
11.82092 
1 1 1 10  11  14 o 71.89144 4.243211  1068.805       117.5779 1135.806       
217.0928 1040.994       139.8680 73.42135 7.042782 70.36153 4.734827 3.059814 
8.486423 
1 1 1 10  11  15 o 87.82687 4.155066  1584.633       142.8233 1731.410       
258.0257 1519.798       171.4908 90.64677 6.780030 85.00698 4.805153 5.639786 
8.310133 
1 1 1 10  11  16 o 244.9346 5.258162  12736.08       535.4790 12018.58       
801.9626 13313.32       719.3229 238.5719 8.006742 251.2973 6.818002 -12.72536 
10.51632 
1 1 1 10  11  17 o 333.1449 8.529767  23775.05       1176.757 22877.88       
1799.976 24444.74       1555.118 327.1740 13.10415 339.1157 10.92286 -11.94165 
17.05953 
1 1 1 10  11  18 o 121.6491 4.194855  3076.685       191.5026 3216.514       
368.3625 3024.896       224.1784 123.4027 7.110035 119.8955 4.453609 3.507286 
8.389709 
1 1 1 10  11  19 o 114.1942 3.713711  2792.121       174.0157 2511.879       
268.4441 2995.233       228.5358 109.1174 5.859774 119.2709 4.563951 -10.15350 
7.427422 
1 1 1 10  11  20 o 128.5516 3.232134  3528.408       165.0410 3333.228       
279.4801 3632.917       204.5075 125.7058 5.295618 131.3974 3.707179 -5.691605 
6.464267 
1 1 1 10  11  21 o 228.5374 5.936772  11032.72       520.2800 11347.10       
960.3159 10902.10       618.9975 230.1669 9.937846 226.9079 6.497712 3.259064 
11.87354 
1 1 1 10  11  22 o 108.3321 3.706038  2523.431       161.6233 2317.609       
263.6281 2647.378       204.5797 104.6192 6.002073 112.0449 4.349020 -7.425728 
7.412076 
1 1 1 10  11  23 o 134.9841 3.187971  3883.422       175.1993 3684.951       
280.8449 4009.866       224.1659 132.0363 5.066339 137.9319 3.871025 -5.895569 
6.375941 
1 1 1 10  11  24 o 76.42135 3.815010  1262.456       115.2666 1152.523       
195.0059 1321.492       142.9037 73.69909 6.302410 79.14361 4.300796 -5.444519 
7.630021 
1 1 1 10  11  25 o 46.18665 4.866687  516.9492       81.24836 310.3317       
133.3312 638.9923       102.4719 37.34713 8.663926 55.02616 4.435646 -17.67902 
9.733375 
1 1 1 10  11  26 o 40.77207 5.933322  397.7436       92.96764 268.4478       
162.6515 460.4804       113.2993 34.93495 10.35826 46.60920 5.789972 -11.67425 
11.86664 
1 1 1 10  11  27 o 36.76344 5.798920  352.6123       98.07997 37.71299       
166.9602 518.5429       121.1965 24.12139 10.01844 49.40549 5.843001 -25.28411 
11.59784 
1 1 1 10  11  28 o 84.04066 3.478331  1549.558       108.5514 1386.471       
203.6127 1614.318       128.3059 80.62431 6.015337 87.45700 3.494404 -6.832687 
6.956661 
1 1 1 10  11  29 o 84.56039 3.553946  1486.254       112.2283 1600.412       
218.7887 1445.491       130.7387 86.45956 6.027440 82.66122 3.767242 3.798332 
7.107893 
1 1 1 10  11  30 o 91.19127 3.638113  1674.592       121.1154 1986.446       
249.7408 1578.693       138.4913 96.07490 6.191569 86.30764 3.822031 9.767258 
7.276226 
1 1 1 10  11  31 o 91.38420 3.889136  1833.665       145.5171 1576.430       
221.5820 2028.735       192.9588 85.33962 6.184505 97.42877 4.717352 -12.08915 
7.778272 
1 1 1 10  11  32 o 84.96754 4.282886  1486.023       121.3555 1721.773       
281.5231 1432.218       134.4928 87.97625 7.622012 81.95882 3.908628 6.017426 
8.565772 
1 1 1 10  11  33 o 39.94607 7.081191  418.3336       113.2635 283.9030       
230.6060 461.0731       130.0278 34.35238 12.42259 45.53977 6.800903 -11.18739 
14.16238 
1 1 1 10  11  34 o 50.27837 6.688198  598.1904       120.6592 641.8994       
239.1283 583.2610       139.7546 49.51350 11.67894 51.04323 6.521522 -1.529728 
13.37640 
1 1 1 10  11  35 o 32.01055 7.829619  199.9062       112.3250 443.9098       
238.0681 130.0331       127.3966 39.45970 12.68436 24.56141 9.182525 14.89829 
15.65924 
1 1 1 10  11  36 o 20.99016 6.730914  -6.135608      109.8389 11.41436       
228.9979 -11.37971      125.1782 23.82585 10.76214 18.15448 8.086857 5.671371 
13.46183 
1 1 1 10  11  37 o 36.05714 6.855121  393.3242       117.0072 184.8227       
223.5096 472.0355       137.3282 27.73704 11.56030 44.37723 7.370903 -16.64019 
13.71024 
1 1 1 10  11  38 o 31.92883 7.493403  303.5347       113.6802 316.0407       
202.1811 297.7531       137.4685 31.37048 11.59963 32.48719 9.489625 -1.116703 
14.98681 
1 1 1 10  11  39 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  12  0  o 146.8132 2.264184  4533.698       138.8563 4590.893       
187.8536 4464.810       206.1665 147.8405 3.026545 145.7858 3.368402 2.054718 
4.528367 
1 1 1 10  12  1  o 213.6949 2.856318  9595.781       255.9804 9592.920       
353.8303 9598.924       370.7867 213.6666 3.944385 213.7232 4.132315 
-0.5659485E-01 5.712636 
1 1 1 10  12  2  o 438.0015 6.013937  40516.84       1102.250 41325.79       
1507.846 39588.45       1615.334 442.7929 8.111057 433.2101 8.881468 9.582825 
12.02787 
1 1 1 10  12  3  o 250.9851 3.496201  13235.48       362.1084 13285.21       
567.4091 13201.31       470.3388 251.3485 5.377014 250.6218 4.470057 0.7266846 
6.992402 
1 1 1 10  12  4  o 323.4514 4.800279  21899.56       590.3715 21733.77       
698.4734 22314.29       1104.735 321.5081 5.174626 325.3947 8.086654 -3.886597 
9.600558 
1 1 1 10  12  5  o 128.0134 2.740433  3441.625       147.0758 3415.847       
202.3374 3470.502       214.1587 127.5082 3.779715 128.5186 3.969087 -1.010391 
5.480866 
1 1 1 10  12  6  o 323.6207 4.470089  22006.58       502.5974 21982.39       
568.7507 22092.80       1073.745 323.4329 4.188503 323.8086 7.898306 
-0.3757019     8.940179 
1 1 1 10  12  7  o 274.8345 3.770269  15884.62       425.9602 15890.46       
549.2764 15875.80       674.6754 274.9459 4.758443 274.7232 5.849525 0.2226868 
7.540539 
1 1 1 10  12  8  o 238.2461 2.660342  11907.84       264.6199 12089.14       
397.0291 11762.93       354.9539 239.8653 3.942539 236.6270 3.572964 3.238297 
5.320685 
1 1 1 10  12  9  o 437.9995 8.196761  40591.63       1505.873 40934.55       
2181.240 40279.35       2081.509 439.6958 11.81605 436.3032 11.36347 3.392609 
16.39352 
1 1 1 10  12  10 o 74.18364 3.175928  1143.083       98.09090 1374.368       
147.0702 957.7551       131.6501 80.86674 4.331875 67.50053 4.645529 13.36622 
6.351857 
1 1 1 10  12  11 o 206.9728 6.332786  8874.979       502.5269 8645.171       
595.5358 9443.219       936.4645 202.6141 7.000988 211.3315 10.55476 -8.717438 
12.66557 
1 1 1 10  12  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  12  13 o 317.9076 9.018609  21541.14       1172.804 21814.82       
1504.257 21116.89       1872.867 320.9240 11.16454 314.8912 14.16666 6.032745 
18.03722 
1 1 1 10  12  14 o 320.9068 9.321953  21788.37       1100.023 22170.58       
2166.871 21655.67       1276.780 321.7552 16.04089 320.0584 9.501847 1.696869 
18.64391 
1 1 1 10  12  15 o 181.6987 5.706960  6941.948       408.7379 7048.484       
716.0649 6890.459       497.8044 182.5563 9.342791 180.8410 6.556663 1.715271 
11.41392 
1 1 1 10  12  16 o 52.36292 5.496531  606.7648       102.4431 548.5985       
195.9353 628.6472       120.1777 50.07385 9.665096 54.65200 5.237682 -4.578144 
10.99306 
1 1 1 10  12  17 o 169.3976 5.555187  5860.033       354.7340 6531.425       
687.1317 5616.076       414.1980 175.5567 9.322743 163.2386 6.043745 12.31804 
11.11037 
1 1 1 10  12  18 o 36.91656 6.561730  262.5654       91.70178 395.9668       
184.0831 218.5341       105.7583 42.30584 10.41918 31.52728 7.979086 10.77856 
13.12346 
1 1 1 10  12  19 f 166.4652 4.657475  5863.376       306.8991 5828.499       
530.3326 5880.937       376.3111 165.9120 7.613628 167.0185 5.366653 -1.106552 
9.314950 
1 1 1 10  12  20 o 187.0237 3.849679  7420.323       298.8214 7099.982       
452.7892 7667.505       397.7375 183.3467 5.882257 190.7007 4.967812 -7.354034 
7.699358 
1 1 1 10  12  21 o 95.46681 3.742247  1872.174       136.5655 2050.896       
257.4641 1802.204       161.0953 98.44356 6.229461 92.49007 4.148669 5.953491 
7.484493 
1 1 1 10  12  22 o 94.16122 2.943210  1917.497       113.2210 1587.050       
171.3107 2173.784       150.8679 86.71602 4.705506 101.6064 3.536688 -14.89041 
5.886421 
1 1 1 10  12  23 o 66.39499 3.661046  910.2490       97.43516 1004.675       
167.9576 862.3522       119.6209 68.86751 5.809067 63.92247 4.457328 4.945038 
7.322093 
1 1 1 10  12  24 o 47.50082 4.930328  488.7056       80.94673 483.9626       
165.1375 490.2057       92.86903 46.81548 8.726907 48.18615 4.590603 -1.370667 
9.860656 
1 1 1 10  12  25 o 46.45767 5.395119  506.9124       90.64359 379.2352       
161.9482 565.1563       109.3817 41.20569 9.541675 51.70965 5.038420 -10.50396 
10.79024 
1 1 1 10  12  26 o 50.28633 5.597666  656.2783       96.35660 332.1237       
168.6562 813.3551       117.4038 38.50893 10.24860 62.06372 4.505733 -23.55479 
11.19533 
1 1 1 10  12  27 o 60.45787 4.271502  838.3408       90.87114 661.6490       
177.9195 900.6989       105.6969 55.58118 7.624596 65.33456 3.853366 -9.753380 
8.543003 
1 1 1 10  12  28 o 109.4528 2.842185  2485.443       106.5647 2615.184       
234.5875 2451.709       119.6190 110.9996 5.033900 107.9060 2.640436 3.093605 
5.684369 
1 1 1 10  12  29 o 51.85448 4.401731  533.9172       82.14265 661.4927       
174.5317 497.6174       93.09827 55.29519 7.518098 48.41376 4.580299 6.881435 
8.803462 
1 1 1 10  12  30 o 43.14789 5.604123  416.9707       84.58340 407.3541       
172.2048 420.0284       97.10414 41.95331 9.920581 44.34247 5.216017 -2.389160 
11.20825 
1 1 1 10  12  31 o 42.57471 7.065756  363.2314       111.5583 584.7767       
227.0206 292.7027       128.0906 49.53186 11.18128 35.61757 8.641684 13.91428 
14.13151 
1 1 1 10  12  32 o 74.53694 4.792227  1130.634       132.9228 1422.234       
268.3781 1035.853       153.0078 79.78239 8.012373 69.29150 5.259624 10.49090 
9.584455 
1 1 1 10  12  33 o 29.83966 7.630668  182.5738       109.1029 241.0794       
223.9276 164.3621       124.9350 32.62419 12.17861 27.05512 9.197268 5.569069 
15.26134 
1 1 1 10  12  34 o 40.79674 7.506951  366.9836       114.4590 562.1357       
239.1286 308.9852       130.3624 45.90963 12.19660 35.68385 8.755588 10.22578 
15.01390 
1 1 1 10  12  35 f 49.45574 6.916105  623.1924       121.3216 580.2112       
241.9006 637.6371       140.2339 45.68058 12.32701 53.23090 6.274949 -7.550316 
13.83221 
1 1 1 10  12  36 o 50.32668 6.765374  618.7706       122.1936 696.4746       
243.4673 592.6071       141.2754 49.88217 11.79632 50.77119 6.627814 
-0.8890228     13.53075 
1 1 1 10  12  37 o 20.67657 6.522834  18.28636       110.5788 -99.18505      
219.1002 58.43485       128.0888 20.70117 9.732640 20.65197 8.687070 
0.4920197E-01  13.04567 
1 1 1 10  12  38 o 24.71988 7.275165  88.96529       111.0825 299.4482       
221.9264 18.60288       128.3131 30.65193 11.95296 18.78783 8.296925 11.86410 
14.55033 
1 1 1 10  12  39 o 40.74511 5.717980  554.5079       122.2367 30.66728       
196.1618 887.0446       156.2912 20.95589 9.641701 60.53433 6.149699 -39.57844 
11.43596 
1 1 1 10  13  0  o 317.2086 8.983518  21244.28       1196.383 21244.28       
1196.383 0.000000       0.000000 317.2086 8.983518 ?        ?        ? ? 
1 1 1 10  13  1  o 163.2513 3.661335  5601.843       249.1044 5628.943       
376.1399 5580.671       332.4631 163.5851 5.476799 162.9176 4.860676 0.6674957 
7.322670 
1 1 1 10  13  2  o 124.3526 2.281503  3240.287       116.6916 3208.928       
150.2633 3287.933       185.2196 123.6048 2.895602 125.1004 3.526544 -1.495628 
4.563006 
1 1 1 10  13  3  o 392.5554 4.796827  32352.38       752.5688 32743.99       
1281.241 32146.10       929.8838 394.1882 7.741912 390.9225 5.665772 3.265778 
9.593654 
1 1 1 10  13  4  o 114.2632 2.807256  2740.477       134.5757 2821.015       
194.8008 2666.948       186.1324 115.8664 4.004556 112.6600 3.935261 3.206429 
5.614511 
1 1 1 10  13  5  o 134.5036 2.363704  3787.027       133.1240 3976.558       
197.1265 3628.116       180.5016 137.5847 3.412683 131.4226 3.271390 6.162125 
4.727409 
1 1 1 10  13  6  o 227.3428 2.845383  10835.10       260.6411 10950.95       
435.8013 10770.59       325.2154 228.2547 4.547680 226.4309 3.421026 1.823761 
5.690766 
1 1 1 10  13  7  o 79.84749 2.748904  1325.792       91.27759 1612.867       
136.1961 1091.710       122.9846 87.61682 3.702528 72.07815 4.064134 15.53867 
5.497808 
1 1 1 10  13  8  o 372.1506 5.877224  29219.73       910.8967 29043.59       
1375.945 29357.15       1215.355 371.0465 8.832708 373.2546 7.755663 -2.208160 
11.75445 
1 1 1 10  13  9  o 180.1170 3.677794  6808.696       277.7633 6566.403       
381.3072 7082.622       405.4353 176.7134 5.139568 183.5206 5.262084 -6.807251 
7.355589 
1 1 1 10  13  10 f 163.3236 3.246689  5579.872       218.7744 5464.010       
282.8419 5752.426       345.1721 161.2430 4.178151 165.4042 4.970615 -4.161255 
6.493378 
1 1 1 10  13  11 o 168.2303 4.152216  5906.005       283.7459 6146.387       
468.5265 5766.775       356.5725 170.8643 6.531364 165.5964 5.128828 5.267929 
8.304433 
1 1 1 10  13  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  13  13 o 57.82690 4.933209  639.4529       109.6540 871.5110       
212.7529 555.5095       127.9589 64.28063 7.883452 51.37317 5.932739 12.90747 
9.866419 
1 1 1 10  13  14 o 337.9901 9.092176  24451.59       1150.101 23988.01       
2183.771 24629.53       1352.938 334.7064 15.54047 341.2737 9.442698 -6.567352 
18.18435 
1 1 1 10  13  15 o 106.3711 3.977716  2367.067       164.3349 2421.370       
296.6261 2343.018       197.3974 107.1889 6.591442 105.5533 4.454413 1.635612 
7.955432 
1 1 1 10  13  16 f 104.1825 3.978860  2283.394       164.6241 2293.180       
283.4418 2278.413       202.2300 104.2966 6.473137 104.0683 4.628584 0.2282715 
7.957720 
1 1 1 10  13  17 f 162.8513 4.816004  5594.770       285.6917 5601.268       
569.3833 5592.582       330.2759 162.6984 8.335707 163.0041 4.826135 
-0.3056335     9.632009 
1 1 1 10  13  18 o 204.2573 4.286947  8742.864       347.4995 8979.153       
602.3578 8624.997       425.4321 206.1533 6.959617 202.3613 5.007533 3.791931 
8.573894 
1 1 1 10  13  19 o 232.3996 6.361310  11388.27       546.1824 11677.58       
1070.390 11286.43       635.0830 233.6963 10.90967 231.1028 6.545552 2.593414 
12.72262 
1 1 1 10  13  20 o 144.5287 3.111144  4438.418       176.0541 4294.030       
308.6656 4508.041       214.3376 142.6763 5.152968 146.3811 3.487663 -3.704788 
6.222289 
1 1 1 10  13  21 o 61.19697 3.805690  726.4299       89.22295 952.5918       
173.2597 644.8087       104.0853 67.09068 6.151152 55.30326 4.482905 11.78741 
7.611381 
1 1 1 10  13  22 o 99.94873 3.257420  2070.249       125.3095 2202.855       
231.9477 2015.594       148.9111 102.0684 5.412775 97.82908 3.625603 4.239311 
6.514839 
1 1 1 10  13  23 o 150.0297 2.992113  4769.617       183.1121 4654.977       
294.4178 4841.937       233.8417 148.4632 4.723527 151.5962 3.674132 -3.132965 
5.984226 
1 1 1 10  13  24 o 218.4585 5.086987  10204.87       452.4179 9964.288       
730.6343 10354.47       576.1645 215.9757 8.057797 220.9414 6.211413 -4.965744 
10.17397 
1 1 1 10  13  25 f 104.7728 3.425180  2265.539       131.4006 2429.102       
264.1569 2211.760       151.4701 107.0712 5.876384 102.4744 3.520730 4.596848 
6.850359 
1 1 1 10  13  26 o 122.8482 3.537126  3064.696       149.2924 3414.875       
331.7742 2975.787       167.1737 126.8281 6.230865 118.8683 3.349830 7.959709 
7.074251 
1 1 1 10  13  27 o 44.36956 5.330979  408.9197       83.31463 469.0732       
171.8890 390.4479       95.25151 45.82119 9.259161 42.91793 5.286329 2.903267 
10.66196 
1 1 1 10  13  28 o 61.88263 4.041621  809.0497       83.80966 826.0569       
188.3170 804.8492       93.58897 62.02167 7.232144 61.74359 3.610388 0.2780800 
8.083242 
1 1 1 10  13  29 o 90.94212 2.881866  1775.626       95.77771 1702.438       
187.7234 1801.382       111.3627 89.45395 4.998504 92.43031 2.869766 -2.976357 
5.763731 
1 1 1 10  13  30 o 48.33378 4.049639  478.5767       70.79750 545.5549       
146.6705 458.2303       80.83871 50.20231 6.958891 46.46526 4.143928 3.737053 
8.099277 
1 1 1 10  13  31 o 33.10369 6.262826  280.6954       95.76233 66.36214       
189.0109 354.7135       111.0736 25.77895 10.68025 40.42843 6.544027 -14.64948 
12.52565 
1 1 1 10  13  32 o 25.44416 6.228736  129.9362       95.49410 -125.2637      
184.4212 223.4277       111.6238 19.87176 9.221766 31.01655 8.375421 -11.14478 
12.45747 
1 1 1 10  13  33 o 60.85634 6.130436  898.6832       114.1870 783.0474       
258.2260 926.7907       127.3105 56.12451 11.35576 65.58817 4.623381 -9.463665 
12.26087 
1 1 1 10  13  34 o 23.49331 7.145721  33.46116       109.5535 113.2482       
226.0794 8.976304       125.2402 27.64044 11.57988 19.34618 8.375664 8.294258 
14.29144 
1 1 1 10  13  35 o 48.10441 6.825599  469.9453       116.4793 849.0192       
251.4531 366.3826       131.4307 57.35358 10.83801 38.85523 8.300162 18.49835 
13.65120 
1 1 1 10  13  36 o 61.93069 5.951720  957.4446       129.8245 854.5553       
243.5414 998.2884       153.4440 56.99528 10.57428 66.86611 5.465939 -9.870834 
11.90344 
1 1 1 10  13  37 o 51.94692 6.420549  666.1857       117.8159 730.9529       
234.9189 644.4213       136.1802 50.92168 11.28710 52.97216 6.123325 -2.050484 
12.84110 
1 1 1 10  13  38 o 27.24371 7.450213  199.5173       114.8900 193.8483       
223.7371 201.5474       133.8908 27.27427 11.47733 27.21316 9.502295 
0.6110954E-01  14.90043 
1 1 1 10  13  39 f 23.78823 7.122694  141.7226       114.9723 153.2227       
221.9206 137.5035       134.4182 24.57276 10.87380 23.00370 9.202806 1.569056 
14.24539 
1 1 1 10  14  0  o 181.5656 3.637218  6959.118       272.5231 7070.817       
355.7240 6800.412       424.0207 183.3729 4.620607 179.7582 5.618487 3.614731 
7.274436 
1 1 1 10  14  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  14  2  o 20.86973 5.634206  62.50203       68.71310 63.38570       
100.5706 61.72839       94.10165 21.14023 8.090932 20.59923 7.843082 0.5409966 
11.26841 
1 1 1 10  14  3  o 226.9712 3.933270  9866.729       179.2058 9741.821       
184.3925 11993.75       760.9169 215.3934 2.039069 238.5490 7.597674 -23.15561 
7.866540 
1 1 1 10  14  4  f 241.6207 3.708062  12296.34       372.6351 12414.95       
495.6247 12142.11       565.1680 242.9952 4.858211 240.2463 5.603274 2.748871 
7.416124 
1 1 1 10  14  5  o 199.5806 2.840740  8186.044       211.2808 8771.562       
413.5592 7979.248       245.7755 204.2555 4.822642 194.9057 3.003553 9.349808 
5.681479 
1 1 1 10  14  6  o 285.7016 3.063785  17097.76       365.0312 16675.54       
486.1199 17643.62       552.7366 281.6892 4.110497 289.7140 4.544329 -8.024841 
6.127570 
1 1 1 10  14  7  o 72.81081 2.926351  1114.454       89.39172 1166.516       
126.7660 1062.958       126.0748 74.50445 4.052674 71.11716 4.222551 3.387291 
5.852701 
1 1 1 10  14  8  o 310.9210 4.207510  20144.06       456.6523 19988.09       
516.8738 20698.84       974.8102 308.4092 3.991887 313.4328 7.407927 -5.023590 
8.415019 
1 1 1 10  14  9  o 245.2414 4.503654  12659.11       463.3447 12692.46       
668.9006 12628.35       642.4371 245.5389 6.488771 244.9439 6.247195 0.5949707 
9.007308 
1 1 1 10  14  10 o 231.8425 2.527887  11057.98       219.3847 11813.32       
426.0748 10785.48       255.9163 237.0723 4.280811 226.6128 2.689890 10.45953 
5.055774 
1 1 1 10  14  11 o 301.7690 7.971182  19322.23       944.3043 19214.77       
1657.984 19373.82       1148.849 300.6479 13.13540 302.8901 9.034391 -2.242218 
15.94236 
1 1 1 10  14  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  14  13 o 281.5522 7.424182  16683.69       750.0176 17001.58       
1534.222 16583.86       859.7541 282.6482 12.92894 280.4564 7.301801 2.191803 
14.84836 
1 1 1 10  14  14 f 191.1581 4.752531  7595.305       358.3444 8010.215       
632.6992 7399.354       434.8057 194.8241 7.735272 187.4920 5.523744 7.332138 
9.505061 
1 1 1 10  14  15 o 167.4996 4.239875  5890.268       276.0286 5962.888       
496.2724 5857.738       332.1460 168.1347 7.030462 166.8645 4.741178 1.270218 
8.479750 
1 1 1 10  14  16 o 194.7053 4.999990  8138.277       378.5430 7630.505       
666.3735 8380.202       459.9639 189.9350 8.356680 199.4756 5.492311 -9.540573 
9.999979 
1 1 1 10  14  17 o 117.3840 2.903246  2944.627       140.6107 2575.396       
210.8201 3240.496       188.7179 110.6229 4.539290 124.1451 3.620799 -13.52221 
5.806491 
1 1 1 10  14  18 o 338.1752 8.238997  24689.56       977.7792 24055.57       
2036.717 24879.45       1114.625 333.5413 14.54462 342.8091 7.744576 -9.267761 
16.47799 
1 1 1 10  14  19 o 79.32748 3.491696  1229.388       102.6989 1536.520       
209.1922 1131.859       117.8822 85.31422 5.840434 73.34074 3.828460 11.97347 
6.983393 
1 1 1 10  14  20 o 186.7619 3.467463  7405.756       266.2093 7098.551       
416.8182 7617.391       345.9597 183.3744 5.414136 190.1495 4.333626 -6.775085 
6.934925 
1 1 1 10  14  21 o 169.1680 4.017663  6031.165       261.0102 6099.964       
479.0400 6002.116       311.2726 169.6074 6.727413 168.7286 4.394132 0.8787537 
8.035327 
1 1 1 10  14  22 o 74.88249 3.621736  1223.290       103.1412 1091.868       
186.1111 1281.546       123.9098 71.77274 6.176377 77.99225 3.784211 -6.219513 
7.243472 
1 1 1 10  14  23 o 81.68892 3.513973  1430.376       110.6640 1358.632       
198.4912 1462.735       133.3044 80.06822 5.904760 83.30962 3.811276 -3.241394 
7.027946 
1 1 1 10  14  24 o 132.7513 3.674439  3774.867       186.2181 3608.004       
340.2518 3846.220       222.4987 130.4227 6.213957 135.0798 3.923359 -4.657104 
7.348878 
1 1 1 10  14  25 o 86.39792 3.297557  1553.025       103.5715 1622.939       
209.2167 1530.329       119.2029 87.54227 5.692454 85.25358 3.330391 2.288689 
6.595115 
1 1 1 10  14  26 o 101.4583 3.144482  2213.268       110.8829 2102.173       
233.2506 2245.704       126.0349 99.61431 5.577275 103.3024 2.906039 -3.688065 
6.288963 
1 1 1 10  14  27 o 76.67554 3.375331  1136.266       87.61069 1433.190       
204.1088 1069.204       97.00110 82.11625 5.920435 71.23483 3.243436 10.88142 
6.750661 
1 1 1 10  14  28 o 111.9005 3.270976  2629.217       131.6178 2701.101       
268.9013 2606.569       150.9339 112.6273 5.686829 111.1737 3.233744 1.453583 
6.541951 
1 1 1 10  14  29 o 66.57581 3.968519  958.9869       94.65966 921.4695       
190.8420 971.2291       109.0152 65.40157 6.950354 67.75005 3.832643 -2.348480 
7.937038 
1 1 1 10  14  30 o 32.42816 6.040168  253.2195       79.77228 155.5960       
165.2489 282.8820       91.08882 28.56345 10.49745 36.29288 5.978122 -7.729427 
12.08034 
1 1 1 10  14  31 o 57.73417 5.518610  714.5863       116.9227 773.2219       
233.2445 694.9063       135.1269 58.64815 9.472795 56.82018 5.664482 1.827965 
11.03722 
1 1 1 10  14  32 o 62.64849 5.423948  841.6620       123.1642 933.8428       
251.3597 812.5377       141.2875 63.98763 9.356658 61.30935 5.489063 2.678276 
10.84790 
1 1 1 10  14  33 o 90.65698 4.978702  1805.004       159.9762 1875.696       
331.4133 1783.527       182.6669 90.40379 8.731812 90.91019 4.785953 
-0.5064011     9.957403 
1 1 1 10  14  34 o 79.49873 5.475429  1511.019       152.8976 1302.868       
302.3024 1582.569       177.2388 73.71363 9.768208 85.28384 4.950091 -11.57021 
10.95086 
1 1 1 10  14  35 o 35.97645 7.644217  323.3996       114.2532 374.2505       
227.2111 306.1898       132.1804 36.82732 12.40314 35.12558 8.938583 1.701748 
15.28843 
1 1 1 10  14  36 o 34.11585 6.924911  289.6041       98.39954 350.6991       
178.5132 262.9391       117.9339 35.85246 10.89680 32.37925 8.548524 3.473209 
13.84982 
1 1 1 10  14  37 o 23.35207 6.594296  106.7414       105.1172 -129.3150      
221.7498 175.1597       119.3827 20.36360 9.649274 26.34053 8.990579 -5.976931 
13.18859 
1 1 1 10  14  38 o 40.34762 7.020648  512.1644       121.7688 307.3233       
235.2275 587.1517       142.3224 31.12415 12.26343 49.57109 6.838577 -18.44694 
14.04130 
1 1 1 10  14  39 o 38.86936 7.960793  460.9274       126.2178 605.0616       
246.2776 409.5834       146.9894 40.03804 12.90431 37.70069 9.326068 2.337345 
15.92159 
1 1 1 10  15  0  o 222.6193 4.355805  10442.10       407.0225 10556.88       
571.8115 10324.22       579.4990 223.8692 6.083864 221.3694 6.235282 2.499847 
8.711610 
1 1 1 10  15  1  o 144.7008 3.275986  4371.797       196.7751 4203.720       
257.4294 4608.026       305.1909 141.3961 4.336524 148.0055 4.911507 -6.609390 
6.551972 
1 1 1 10  15  2  o 201.7005 4.529374  8567.290       383.1846 8532.080       
529.9231 8605.874       554.7380 201.2804 6.270937 202.1207 6.537297 
-0.8402863     9.058748 
1 1 1 10  15  3  o 342.5163 9.494458  24801.52       1365.307 24801.52       
1365.307 0.000000       0.000000 342.5163 9.494458 ?        ?        ? ? 
1 1 1 10  15  4  o 61.97062 3.943583  805.7610       102.4438 766.2548       
140.2215 850.9874       150.0301 60.34719 5.534502 63.59405 5.619312 -3.246853 
7.887166 
1 1 1 10  15  5  o 73.37292 2.697216  1121.810       82.73602 1015.438       
111.2430 1253.486       123.7697 69.51331 3.811763 77.23255 3.817113 -7.719246 
5.394432 
1 1 1 10  15  6  o 145.3777 2.627089  4375.956       152.4986 4649.130       
263.1186 4237.777       187.1345 148.7230 4.213998 142.0324 3.138249 6.690598 
5.254178 
1 1 1 10  15  7  o 164.4020 2.693985  5641.790       178.3406 5812.457       
299.9844 5548.500       221.7902 166.2883 4.296927 162.5157 3.250635 3.772659 
5.387969 
1 1 1 10  15  8  f 149.4917 2.319244  4731.965       141.1328 4539.281       
227.1347 4853.145       180.1258 146.9779 3.680888 152.0056 2.822522 -5.027679 
4.638488 
1 1 1 10  15  9  o 346.0560 3.546555  25181.75       515.2068 25721.97       
733.5325 24655.78       723.7900 349.7209 4.995959 342.3911 5.035136 7.329803 
7.093110 
1 1 1 10  15  10 o 174.5886 2.126854  6384.619       148.6838 6463.995       
252.1847 6342.325       184.0812 175.3999 3.424604 173.7773 2.523117 1.622635 
4.253708 
1 1 1 10  15  11 o 80.59903 3.682593  1319.115       116.1434 1496.862       
211.5499 1242.423       138.9583 84.32270 5.975708 76.87537 4.305449 7.447334 
7.365187 
1 1 1 10  15  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  15  13 o 148.3335 4.091042  4597.067       237.5114 4730.969       
423.2734 4535.531       286.9440 149.8194 6.729362 146.8476 4.654266 2.971771 
8.182084 
1 1 1 10  15  14 o 191.6779 5.710441  7706.127       415.2640 7890.779       
780.4977 7633.218       490.4426 193.0132 9.631762 190.3427 6.137240 2.670532 
11.42088 
1 1 1 10  15  15 o 172.7682 3.602678  6217.617       242.1795 6457.196       
437.2998 6111.631       290.8556 175.0570 5.950055 170.4795 4.063744 4.577484 
7.205357 
1 1 1 10  15  16 o 207.3161 5.503446  9167.649       455.8721 8817.952       
766.0493 9359.395       567.2484 203.9909 8.944727 210.6413 6.414323 -6.650406 
11.00689 
1 1 1 10  15  17 o 71.34648 3.883963  1170.293       95.13307 902.5695       
191.9999 1257.407       109.5225 65.35696 6.997297 77.33601 3.373205 -11.97904 
7.767926 
1 1 1 10  15  18 o 14.92096 4.855404  -65.99097      62.38331 -47.08809      
117.4886 -73.41275      73.61831 17.58292 7.833332 12.25900 5.739225 5.323915 
9.710808 
1 1 1 10  15  19 o 131.0642 3.070982  3661.153       162.3860 3456.453       
265.7952 3783.060       205.1173 128.0415 4.944441 134.0869 3.643654 -6.045303 
6.141963 
1 1 1 10  15  20 o 137.4102 3.276138  3970.326       181.0156 4018.046       
304.0687 3944.130       225.2853 137.9627 5.249660 136.8576 3.920893 1.105057 
6.552277 
1 1 1 10  15  21 o 178.2601 4.208446  6694.216       297.2049 6822.679       
515.8358 6630.379       363.6266 179.2941 6.852776 177.2260 4.887077 2.068085 
8.416892 
1 1 1 10  15  22 o 173.9622 4.150084  6343.355       254.9954 6534.783       
535.0018 6287.085       290.0619 175.2253 7.272428 172.6990 4.000571 2.526367 
8.300167 
1 1 1 10  15  23 o 167.0562 4.275777  5901.569       277.3830 5958.884       
498.7746 5875.905       333.7557 167.3266 7.100034 166.7857 4.766404 0.5408478 
8.551555 
1 1 1 10  15  24 o 172.8301 4.015553  6376.202       244.4621 6229.159       
508.0687 6420.500       278.8647 171.1127 7.072311 174.5476 3.805403 -3.434982 
8.031107 
1 1 1 10  15  25 o 156.6313 3.498439  5129.104       199.7241 5297.173       
400.6692 5073.535       230.3880 158.0645 6.037717 155.1981 3.535855 2.866333 
6.996878 
1 1 1 10  15  26 o 73.62205 3.518552  1083.126       94.48592 1275.856       
195.0567 1024.038       108.0030 77.54236 5.991601 69.70174 3.690739 7.840622 
7.037105 
1 1 1 10  15  27 f 72.01382 3.563804  1056.767       93.15267 1183.522       
191.5675 1017.514       106.6050 74.57600 6.118483 69.45164 3.656085 5.124352 
7.127608 
1 1 1 10  15  28 o 131.4491 2.924794  3681.740       147.3492 3589.985       
268.8312 3721.143       176.1694 130.0581 4.923378 132.8401 3.158803 -2.781921 
5.849589 
1 1 1 10  15  29 o 88.75034 3.339850  1568.186       105.8996 1879.819       
226.1507 1480.659       119.8521 93.78299 5.743741 83.71767 3.409962 10.06532 
6.679700 
1 1 1 10  15  30 o 78.07717 3.637369  1230.829       96.92580 1427.396       
218.9373 1182.912       108.0959 81.37601 6.408323 74.77834 3.443140 6.597672 
7.274738 
1 1 1 10  15  31 o 40.93116 7.302334  330.3154       112.5022 564.0317       
231.0936 257.7198       128.7949 48.47390 11.51147 33.38843 8.987906 15.08546 
14.60467 
1 1 1 10  15  32 o 26.59751 7.453331  63.34110       109.3014 248.8375       
226.7150 7.170636       124.7575 33.59491 12.30069 19.60011 8.420312 13.99479 
14.90666 
1 1 1 10  15  33 o 49.16125 5.923252  568.0006       103.7374 535.0609       
199.5220 580.2040       121.4426 46.73441 10.43549 51.58809 5.607156 -4.853676 
11.84650 
1 1 1 10  15  34 o 26.86692 7.218156  153.1532       110.8579 36.84266       
220.8609 192.3254       128.1734 25.25154 11.02836 28.48231 9.315708 -3.230776 
14.43631 
1 1 1 10  15  35 o 73.47544 4.960021  1196.219       137.6892 1318.732       
262.4507 1149.693       161.7340 74.74931 8.362990 72.20158 5.335506 2.547729 
9.920042 
1 1 1 10  15  36 o 18.24842 6.013556  -78.68530      109.3808 -259.3604      
213.1448 -14.09465      127.4414 18.21266 8.843136 18.28419 8.151711 
-0.7152748E-01 12.02711 
1 1 1 10  15  37 o 26.44694 7.550263  138.5581       115.5290 245.2889       
227.9669 101.6741       134.0126 30.08283 12.00304 22.81104 9.162589 7.271791 
15.10053 
1 1 1 10  15  38 o 30.96990 7.100361  294.0087       117.2647 108.1335       
224.9459 363.3708       137.4132 25.02707 11.02749 36.91274 8.947342 -11.88567 
14.20072 
1 1 1 10  15  39 o 44.25986 7.428528  557.8361       123.8737 698.9382       
241.3018 507.3445       144.3454 44.87269 12.40281 43.64703 8.179391 1.225658 
14.85706 
1 1 1 10  16  0  o 121.8228 2.871272  3121.975       146.7028 3143.488       
203.3188 3098.612       211.8844 122.2661 3.960887 121.3796 4.157905 0.8865509 
5.742543 
1 1 1 10  16  1  o 77.38201 3.934932  1258.965       127.8369 0.000000       
0.000000 1258.965       127.8369 ?        ?        77.38201 3.934932 ? ? 
1 1 1 10  16  2  o 126.2678 3.414871  3321.794       175.9858 3221.020       
222.4734 3490.287       287.6705 123.7637 4.281597 128.7719 5.321025 -5.008202 
6.829743 
1 1 1 10  16  3  o 274.7673 5.882052  15888.77       673.7802 16425.26       
1022.028 15476.35       896.0837 278.7678 8.732551 270.7669 7.882683 8.000854 
11.76410 
1 1 1 10  16  4  o 139.4757 5.129791  4092.958       300.3843 0.000000       
0.000000 4092.958       300.3843 ?        ?        139.4757 5.129791 ? ? 
1 1 1 10  16  5  f 197.2072 5.140405  8190.708       425.3230 8467.605       
615.1323 7937.068       588.7311 200.3918 7.311553 194.0225 7.227465 6.369354 
10.28081 
1 1 1 10  16  6  o 207.8226 3.021453  8817.345       228.2387 8568.057       
261.7811 9607.426       466.0406 201.9506 3.087551 213.6947 5.194589 -11.74408 
6.042907 
1 1 1 10  16  7  o 60.09938 2.711153  749.1124       64.84277 790.2479       
112.4916 728.6435       79.35221 61.30778 4.370445 58.89098 3.209455 2.416798 
5.422305 
1 1 1 10  16  8  o 248.5950 3.276844  12792.91       283.5880 13360.59       
610.1397 12636.48       320.2865 251.9367 5.768446 245.2533 3.110604 6.683411 
6.553688 
1 1 1 10  16  9  o 225.7428 3.217025  10802.67       261.6438 10546.62       
527.0510 10886.41       301.4063 223.8517 5.608069 227.6339 3.153817 -3.782211 
6.434050 
1 1 1 10  16  10 o 128.8114 2.172060  3485.880       112.6367 3485.799       
188.2014 3485.925       140.5973 128.7954 3.480515 128.8274 2.599500 
-0.3199768E-01 4.344121 
1 1 1 10  16  11 o 22.65704 6.202692  72.09453       81.54742 12.88792       
150.1705 96.85511       97.11357 22.37795 9.409270 22.93612 8.084501 
-0.5581627     12.40538 
1 1 1 10  16  12 o 220.1129 8.399508  10237.82       776.2082 0.000000       
0.000000 10237.82       776.2082 ?        ?        220.1129 8.399508 ? ? 
1 1 1 10  16  13 o 180.0211 3.385384  6891.192       250.4770 6434.016       
389.3797 7213.912       327.1480 174.8266 5.305018 185.2157 4.207147 -10.38905 
6.770768 
1 1 1 10  16  14 o 116.0600 3.263290  2721.918       142.4416 3087.060       
278.1476 2592.117       165.8378 121.0730 5.472036 111.0469 3.557117 10.02611 
6.526581 
1 1 1 10  16  15 o 217.2080 5.728421  10000.93       475.2736 9930.083       
876.2108 10030.46       565.7292 216.3131 9.648211 218.1029 6.178289 -1.789780 
11.45684 
1 1 1 10  16  16 o 67.69823 3.724663  956.2512       92.72400 984.9457       
183.5055 946.4129       107.4503 68.31521 6.398127 67.08125 3.815289 1.233955 
7.449326 
1 1 1 10  16  17 f 57.35826 3.780390  717.7931       81.94959 636.4864       
149.2192 752.9064       98.06126 54.89487 6.474614 59.82165 3.904453 -4.926773 
7.560779 
1 1 1 10  16  18 o 174.3125 4.188263  6494.211       298.2823 6051.973       
471.1586 6790.013       385.3357 169.1694 6.633860 179.4557 5.114500 -10.28622 
8.376527 
1 1 1 10  16  19 o 219.5966 5.329380  10179.05       454.8745 10375.44       
818.4455 10091.28       547.1645 220.6804 8.833792 218.5129 5.964333 2.167465 
10.65876 
1 1 1 10  16  20 o 178.4389 4.697636  6567.960       306.4041 7119.429       
618.8110 6388.839       352.6721 182.8650 8.060249 174.0128 4.827373 8.852203 
9.395272 
1 1 1 10  16  21 o 87.87918 3.354721  1566.693       112.6739 1783.838       
214.2538 1483.682       132.4714 91.83383 5.557084 83.92453 3.759711 7.909302 
6.709441 
1 1 1 10  16  22 o 119.2611 3.047579  2976.857       130.9369 3047.234       
266.7737 2954.522       150.2840 120.0312 5.293828 118.4911 3.020982 1.540146 
6.095158 
1 1 1 10  16  23 f 116.1381 2.752010  2564.372       103.6814 3300.121       
256.8604 2421.161       113.3236 124.9735 4.895539 107.3027 2.515537 17.67072 
5.504019 
1 1 1 10  16  24 o 57.20074 3.451458  718.1335       72.58384 634.5492       
137.9164 750.1536       85.36202 54.71542 6.003814 59.68605 3.406535 -4.970634 
6.902917 
1 1 1 10  16  25 o 96.48020 3.528091  1931.304       116.4917 2030.841       
256.7453 1905.501       130.7219 97.82717 6.251210 95.13323 3.272933 2.693939 
7.056182 
1 1 1 10  16  26 o 103.6728 3.425882  2292.450       130.1720 2231.736       
255.1187 2313.820       151.3572 102.5503 5.925519 104.7953 3.440188 -2.245064 
6.851764 
1 1 1 10  16  27 o 68.54768 3.883932  1050.435       97.83305 885.0296       
183.2481 1116.376       115.7023 64.36874 6.780871 72.72662 3.789393 -8.357880 
7.767864 
1 1 1 10  16  28 o 63.35390 3.988818  851.6121       91.08111 862.0895       
184.5851 848.2401       104.7172 63.37093 6.937892 63.33688 3.938062 
0.3405380E-01  7.977636 
1 1 1 10  16  29 o 82.29478 3.584661  1556.961       103.2885 1228.356       
203.5545 1670.909       119.8665 75.62847 6.410863 88.96111 3.209362 -13.33263 
7.169321 
1 1 1 10  16  30 o 122.4662 3.426174  3065.297       147.7650 3446.242       
317.4559 2959.934       166.9538 126.6321 5.971188 118.3003 3.361488 8.331795 
6.852349 
1 1 1 10  16  31 o 111.5685 4.490670  2698.068       189.5400 2698.824       
354.4032 2697.764       224.3158 110.8013 7.618577 112.3357 4.756231 -1.534439 
8.981339 
1 1 1 10  16  32 o 44.92738 6.152130  473.7042       100.2391 439.8414       
193.2430 486.1698       117.2464 42.55401 10.79521 47.30074 5.904088 -4.746731 
12.30426 
1 1 1 10  16  33 o 66.56656 5.437701  1046.177       132.3794 885.5176       
246.6002 1111.218       156.9038 61.57400 9.539312 71.55911 5.222634 -9.985111 
10.87540 
1 1 1 10  16  34 f 67.08687 4.998115  979.5919       124.3203 1095.526       
245.2134 939.4831       144.2309 68.61046 8.512849 65.56329 5.239848 3.047173 
9.996229 
1 1 1 10  16  35 o 31.36613 7.631324  214.9088       112.7644 363.6883       
212.4517 156.5542       133.0535 36.54266 11.99353 26.18961 9.439476 10.35305 
15.26265 
1 1 1 10  16  36 o 32.98909 7.355008  299.9333       113.7956 218.0311       
215.7465 331.5012       133.9425 29.75107 11.73759 36.22712 8.866424 -6.476046 
14.71002 
1 1 1 10  16  37 o 19.60127 6.362239  -27.06268      111.6806 -134.3227      
219.0610 10.60598       129.8184 20.17170 9.573580 19.03085 8.382060 1.140852 
12.72448 
1 1 1 10  16  38 o 42.62043 7.182792  431.6847       112.6084 708.9563       
233.2144 347.3854       128.5923 48.80220 11.54805 36.43865 8.544744 12.36356 
14.36558 
1 1 1 10  16  39 o 76.55481 8.741736  914.3682       206.0949 4638.673       
620.7453 452.9699       218.4886 117.7000 12.56198 35.40961 12.16012 82.29040 
17.48347 
1 1 1 10  17  0  o 294.9710 5.440465  18419.12       672.5283 18589.47       
926.2159 18229.15       978.1009 296.4893 7.440881 293.4528 7.939013 3.036499 
10.88093 
1 1 1 10  17  1  o 141.4955 3.308746  4198.513       195.9778 4407.814       
290.8821 4024.535       265.2034 144.7041 4.788036 138.2870 4.567923 6.417068 
6.617493 
1 1 1 10  17  2  o 17.58338 5.076499  11.09277       62.78498 -53.09573      
93.78619 63.22163       84.51804 15.16364 6.866356 20.00312 7.479071 -4.839477 
10.15300 
1 1 1 10  17  3  o 215.5677 3.834403  9727.945       321.1066 9936.727       
579.1473 9635.275       385.8439 217.1023 6.353977 214.0332 4.293897 3.069122 
7.668805 
1 1 1 10  17  4  o 176.5536 3.309886  6457.180       230.3849 6848.858       
407.7682 6273.526       279.2213 180.3624 5.385034 172.7447 3.850037 7.617691 
6.619771 
1 1 1 10  17  5  o 94.83851 2.710979  1866.823       95.59555 1942.433       
186.4884 1839.874       111.3359 96.09362 4.622515 93.58340 2.833725 2.510223 
5.421959 
1 1 1 10  17  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  17  7  o 226.8423 4.876960  10867.27       428.8707 10806.29       
771.1628 10894.57       516.0328 226.1846 8.120899 227.5001 5.402774 -1.315521 
9.753921 
1 1 1 10  17  8  o 131.5228 2.279491  3649.068       122.9743 3566.482       
194.8889 3703.704       158.5160 130.2671 3.563471 132.7784 2.843587 -2.511307 
4.558982 
1 1 1 10  17  9  o 37.09441 3.859391  280.1192       55.29100 313.9402       
102.9114 266.3950       65.55636 38.59789 6.350692 35.59094 4.387291 3.006950 
7.718783 
1 1 1 10  17  10 o 257.2839 2.548354  13840.78       243.8811 14069.36       
472.7867 13757.90       284.6796 258.6487 4.353875 255.9190 2.649567 2.729736 
5.096708 
1 1 1 10  17  11 o 235.4612 4.539321  11591.80       389.9745 11879.81       
779.9984 11495.81       450.2943 237.1557 7.833956 233.7666 4.588123 3.389114 
9.078642 
1 1 1 10  17  12 o 210.3280 6.031811  9401.395       514.6207 9530.667       
651.4964 9186.900       839.1989 212.4753 7.303392 208.1808 9.601637 4.294510 
12.06362 
1 1 1 10  17  13 o 240.6107 4.617863  12094.78       425.6812 12497.01       
788.8574 11929.54       505.6136 243.1755 7.726801 238.0460 5.059166 5.129532 
9.235725 
1 1 1 10  17  14 o 152.2922 3.242567  4833.527       193.7372 5014.094       
344.3759 4749.918       234.3369 154.2860 5.316519 150.2985 3.713703 3.987503 
6.485134 
1 1 1 10  17  15 o 193.2364 3.425816  7864.654       266.6095 7856.476       
444.8707 7869.238       333.0424 193.0728 5.488249 193.4000 4.101704 
-0.3272095     6.851632 
1 1 1 10  17  16 o 100.2151 3.229369  2173.697       129.9600 1892.093       
209.6703 2349.383       165.6099 94.74630 5.271034 105.6838 3.732492 -10.93752 
6.458738 
1 1 1 10  17  17 o 95.28156 3.247627  1966.297       120.3821 1763.851       
209.1261 2066.626       147.2203 91.44321 5.447258 99.11990 3.537755 -7.676689 
6.495255 
1 1 1 10  17  18 o 163.9120 3.755591  5668.714       243.6162 5670.840       
421.9174 5667.651       298.3812 163.7931 6.135542 164.0310 4.332780 
-0.2379303     7.511182 
1 1 1 10  17  19 o 136.7406 2.856832  3906.294       156.3929 4044.425       
266.7124 3833.913       193.0678 138.5007 4.586825 134.9805 3.406904 3.520233 
5.713665 
1 1 1 10  17  20 o 224.2646 4.877192  10568.82       433.9178 11004.28       
754.6722 10353.76       530.3511 227.2895 7.908608 221.2396 5.709809 6.049896 
9.754384 
1 1 1 10  17  21 o 109.0137 3.320076  2486.986       131.9760 2553.505       
264.2545 2464.881       152.3347 109.8242 5.731194 108.2031 3.353360 1.621101 
6.640152 
1 1 1 10  17  22 o 73.91102 3.163042  1034.074       82.50300 1381.069       
183.4246 946.0676       92.37481 80.78800 5.407938 67.03403 3.282307 13.75397 
6.326084 
1 1 1 10  17  23 o 62.96562 3.180570  804.8278       74.81745 907.3619       
147.4426 769.2707       86.82638 65.49084 5.362453 60.44041 3.421727 5.050430 
6.361141 
1 1 1 10  17  24 o 33.61566 5.983380  238.9025       75.34147 270.6741       
153.6689 228.8485       86.44415 34.98129 9.974167 32.25004 6.612059 2.731251 
11.96676 
1 1 1 10  17  25 o 90.68297 3.255939  1767.938       105.0350 1677.464       
213.7358 1796.744       120.6023 88.97720 5.721629 92.38875 3.109264 -3.411552 
6.511878 
1 1 1 10  17  26 o 152.0840 2.985595  4901.250       164.6602 4848.355       
329.3402 4918.879       190.1293 151.3109 5.184364 152.8571 2.962680 -1.546112 
5.971189 
1 1 1 10  17  27 o 72.37988 3.734940  978.9489       95.68983 1372.402       
213.5089 880.0547       107.0422 80.21279 6.340062 64.54697 3.950029 15.66582 
7.469881 
1 1 1 10  17  28 o 41.04578 5.853441  431.5857       84.80225 257.2973       
168.8674 490.3615       98.06430 34.03689 10.65012 48.05468 4.860672 -14.01779 
11.70688 
1 1 1 10  17  29 o 30.11677 5.743077  201.1119       66.94066 198.5668       
137.1902 201.9073       76.68969 30.09929 9.624299 30.13426 6.269337 
-0.3497696E-01 11.48615 
1 1 1 10  17  30 o 75.97552 5.051153  1229.338       146.4384 1314.972       
274.4254 1195.246       173.1512 77.27119 8.459169 74.67985 5.522595 2.591347 
10.10231 
1 1 1 10  17  31 o 63.49084 5.410449  832.1848       125.3541 1005.351       
258.5923 778.9933       143.3192 66.87029 9.210932 60.11140 5.678956 6.758881 
10.82090 
1 1 1 10  17  32 o 21.49566 6.748138  -16.32269      101.9166 22.11421       
216.9019 -27.21330      115.4557 25.37993 11.00566 17.61138 7.811847 7.768551 
13.49628 
1 1 1 10  17  33 o 45.67189 6.592597  476.8193       115.0618 539.4186       
211.4133 450.4728       137.1543 46.49656 10.99030 44.84721 7.284419 1.649349 
13.18519 
1 1 1 10  17  34 o 43.83464 6.072153  456.6403       99.69032 450.6614       
184.1210 459.1199       118.5745 42.21928 10.43403 45.45000 6.214103 -3.230713 
12.14431 
1 1 1 10  17  35 o 62.51664 5.460699  919.2799       129.4293 875.5700       
235.1148 938.2854       155.0350 60.04298 9.326931 64.99030 5.682013 -4.947319 
10.92140 
1 1 1 10  17  36 o 43.32839 6.844390  503.9599       110.9483 423.3468       
218.2305 532.0587       128.8417 38.33201 12.12658 48.32478 6.350496 -9.992767 
13.68878 
1 1 1 10  17  37 o 19.53277 6.351124  -31.98950      113.3539 -157.2520      
219.7171 13.44290       132.3233 19.80403 9.463197 19.26152 8.473194 0.5425110 
12.70225 
1 1 1 10  17  38 o 58.08728 5.849343  771.8395       129.0629 1056.496       
253.2969 672.0209       149.9943 62.99503 9.577334 53.17953 6.718177 9.815502 
11.69869 
1 1 1 10  17  39 o 27.14267 7.240265  227.7054       111.6145 159.7911       
234.4864 247.6006       126.9143 25.12758 11.14094 29.15776 9.250144 -4.030172 
14.48053 
1 1 1 10  18  0  o 111.1621 2.146756  2576.917       91.22825 2648.489       
169.5471 2547.751       108.2314 112.2059 3.599116 110.1184 2.341071 2.087532 
4.293512 
1 1 1 10  18  1  o 261.2653 3.667300  14358.14       381.7854 14476.25       
653.4120 14296.93       470.4448 261.9161 5.942182 260.6145 4.299631 1.301636 
7.334599 
1 1 1 10  18  2  o 151.9118 2.613514  4906.999       163.8552 4525.005       
250.3720 5193.177       216.7086 146.6534 4.066445 157.1702 3.284180 -10.51689 
5.227027 
1 1 1 10  18  3  o 216.3109 3.320996  9922.604       297.8659 9334.691       
450.6087 10378.87       396.9644 210.5236 5.098234 222.0981 4.257236 -11.57452 
6.641992 
1 1 1 10  18  4  f 190.7672 3.117209  7648.391       238.9245 7688.449       
401.4601 7626.421       297.3091 191.0886 5.004131 190.4457 3.718418 0.6428986 
6.234417 
1 1 1 10  18  5  o 124.3989 2.633354  3028.459       120.9156 3733.212       
247.4851 2807.479       138.5820 133.2057 4.425344 115.5921 2.855616 17.61368 
5.266708 
1 1 1 10  18  6  o 68.06612 2.630245  960.1880       70.75408 1014.868       
124.5387 934.1271       85.97726 69.45971 4.270636 66.67254 3.071551 2.787170 
5.260490 
1 1 1 10  18  7  o 116.3618 2.589329  2844.416       126.4960 0.000000       
0.000000 2844.416       126.4960 ?        ?        116.3618 2.589329 ? ? 
1 1 1 10  18  8  o 176.4843 4.749095  6554.548       351.8811 6554.548       
351.8811 0.000000       0.000000 176.4843 4.749095 ?        ?        ? ? 
1 1 1 10  18  9  o 197.4708 3.834559  7974.135       270.9920 8671.701       
565.7739 7766.456       308.7073 202.7505 6.646636 192.1911 3.825910 10.55943 
7.669117 
1 1 1 10  18  10 o 189.7870 4.285505  6664.573       126.3630 8658.826       
713.0249 6599.908       128.3954 202.2893 8.395620 177.2846 1.725041 25.00470 
8.571010 
1 1 1 10  18  11 f 166.9091 3.750290  5632.317       247.4571 6559.840       
443.8358 5213.940       298.0876 176.4048 5.992846 157.4133 4.510488 18.99142 
7.500580 
1 1 1 10  18  12 o 122.9690 3.457130  3157.978       170.3126 3268.503       
290.0040 3099.791       210.4219 124.5466 5.546169 121.3914 4.128802 3.155197 
6.914261 
1 1 1 10  18  13 o 253.8029 4.793196  13628.29       488.8440 13514.55       
818.0614 13691.46       609.6671 252.7563 7.709124 254.8496 5.698097 -2.093338 
9.586391 
1 1 1 10  18  14 o 180.2192 3.689843  6891.726       275.7390 6505.675       
417.5251 7190.337       367.2100 175.6513 5.661770 184.7870 4.733299 -9.135727 
7.379685 
1 1 1 10  18  15 o 102.9265 3.143897  2224.647       122.9096 2244.250       
229.8295 2216.794       145.4572 103.1781 5.305658 102.6749 3.374366 0.5032272 
6.287794 
1 1 1 10  18  16 o 176.7467 3.095720  6544.900       229.1202 6072.985       
311.0561 7104.633       338.7640 169.8195 4.362870 183.6740 4.393096 -13.85451 
6.191440 
1 1 1 10  18  17 o 230.7894 5.249366  11464.87       468.2368 10847.49       
834.7791 11748.27       565.5880 225.7146 8.809132 235.8643 5.711617 -10.14969 
10.49873 
1 1 1 10  18  18 o 130.7116 2.862803  3405.122       127.9988 3938.325       
288.8215 3274.802       142.7865 136.6166 5.035552 124.8065 2.725029 11.81013 
5.725606 
1 1 1 10  18  19 o 92.02634 3.070271  1650.475       99.62412 2040.108       
218.4885 1548.204       111.9378 98.26798 5.295874 85.78468 3.108051 12.48330 
6.140543 
1 1 1 10  18  20 o 80.19930 3.061707  1239.249       88.17612 1589.248       
189.6262 1142.693       99.59905 86.71451 5.208679 73.68410 3.219604 13.03041 
6.123413 
1 1 1 10  18  21 o 76.20343 3.212169  1153.845       90.41558 1379.198       
183.6469 1081.744       103.8774 80.73667 5.417935 71.67020 3.452261 9.066475 
6.424338 
1 1 1 10  18  22 o 70.95525 3.505554  1087.558       90.10683 1016.904       
177.8345 1111.963       104.5167 69.24607 6.117050 72.66442 3.425979 -3.418350 
7.011108 
1 1 1 10  18  23 o 22.64237 6.083731  76.48470       71.22586 86.52953       
144.6091 73.26733       81.84158 24.88168 9.659796 20.40306 7.398343 4.478626 
12.16746 
1 1 1 10  18  24 o 78.01962 3.528046  1332.816       103.2365 1180.935       
190.2094 1396.241       122.9163 74.62779 6.070890 81.41145 3.596209 -6.783653 
7.056092 
1 1 1 10  18  25 o 138.3985 3.139351  3804.246       145.4395 4451.716       
338.6078 3657.771       161.0526 144.9600 5.563778 131.8370 2.909720 13.12300 
6.278702 
1 1 1 10  18  26 o 145.9120 3.935960  4477.078       201.1807 4592.182       
426.4067 4444.119       228.1729 146.6784 6.924352 145.1456 3.744391 1.532761 
7.871919 
1 1 1 10  18  27 o 21.94126 5.442235  -13.98868      65.90764 228.3496       
132.7640 -93.24147      75.92358 32.03436 9.315719 11.84815 5.629306 20.18621 
10.88447 
1 1 1 10  18  28 o 187.0669 4.926927  7445.569       317.7639 7677.387       
687.3474 7382.558       358.3583 187.6021 8.726892 186.5316 4.576001 1.070465 
9.853854 
1 1 1 10  18  29 o 61.45893 4.058481  783.2336       88.92413 857.7568       
186.4599 761.2941       101.1705 62.98732 7.051041 59.93055 4.020930 3.056778 
8.116961 
1 1 1 10  18  30 o 50.40800 6.776904  584.9687       120.4037 562.5737       
243.0641 592.2508       138.6039 48.43833 11.99905 52.37766 6.303044 -3.939335 
13.55381 
1 1 1 10  18  31 o 105.0213 4.002160  2362.998       157.6454 2417.920       
300.8396 2342.209       185.0934 105.2176 6.810324 104.8250 4.205784 0.3925476 
8.004320 
1 1 1 10  18  32 o 136.7799 5.185881  4201.836       283.4260 3975.619       
471.2296 4330.055       354.7692 132.6253 8.463059 140.9344 5.995838 -8.309174 
10.37176 
1 1 1 10  18  33 o 19.43760 6.170949  -47.01559      107.3904 -271.7752      
205.4116 37.52398       125.9783 18.20539 8.802438 20.66981 8.650984 -2.464415 
12.34190 
1 1 1 10  18  34 o 49.13177 6.886238  553.2979       123.1746 672.5782       
246.2804 513.5081       142.2430 50.64444 11.79232 47.61910 7.114933 3.025341 
13.77248 
1 1 1 10  18  35 o 26.74475 7.303076  155.3340       111.6378 112.9250       
211.4150 171.7314       131.4602 26.56871 11.16750 26.92080 9.414175 
-0.3520851     14.60615 
1 1 1 10  18  36 o 24.27494 6.835509  109.8267       113.1785 -91.30692      
214.0436 187.8867       133.3442 21.06568 9.836926 27.48419 9.493766 -6.418512 
13.67102 
1 1 1 10  18  37 o 30.25451 7.437754  247.0339       108.7699 231.2197       
222.5451 251.9973       124.6758 29.48241 11.82188 31.02661 9.029055 -1.544199 
14.87551 
1 1 1 10  18  38 o 30.12860 7.808365  200.3333       117.9487 469.3189       
235.1645 109.9235       136.3373 37.49315 12.61835 22.76404 9.201053 14.72911 
15.61673 
1 1 1 10  18  39 o 38.66819 7.649860  479.8188       124.7610 480.9280       
237.4686 479.3960       146.6279 35.47533 12.62806 41.86105 8.637908 -6.385719 
15.29972 
1 1 1 10  19  0  o 92.99292 1.899423  1843.598       65.82880 1761.890       
125.2394 1874.790       77.38036 91.51744 3.259553 94.46839 1.951036 -2.950951 
3.798846 
1 1 1 10  19  1  o 62.86106 2.180404  713.6447       50.15959 1085.468       
107.6295 610.4810       56.69262 71.82542 3.569227 53.89670 2.505448 17.92872 
4.360808 
1 1 1 10  19  2  o 186.0229 2.745995  7072.376       147.8465 7577.065       
404.7635 6994.674       158.8206 189.5719 5.085673 182.4739 2.073132 7.098007 
5.491990 
1 1 1 10  19  3  o 31.92479 3.889606  207.1780       43.80762 242.7675       
90.81644 196.3855       50.01072 33.29960 6.731460 30.54998 3.899180 2.749619 
7.779213 
1 1 1 10  19  4  o 27.05112 4.447104  155.6045       45.58876 169.9596       
86.86413 150.1473       53.55771 27.84043 7.330279 26.26181 5.037253 1.578615 
8.894207 
1 1 1 10  19  5  o 141.5532 2.597375  4070.200       113.7287 4430.162       
288.3762 4003.903       123.7595 145.0434 4.735683 138.0630 2.135120 6.980347 
5.194751 
1 1 1 10  19  6  o 225.7272 3.506953  10347.81       173.8622 11191.31       
651.3162 10283.10       180.4087 230.1828 6.739693 221.2716 1.942016 8.911179 
7.013907 
1 1 1 10  19  7  o 241.5010 4.308350  12265.92       383.9526 12383.58       
751.8947 12224.42       446.5652 241.9981 7.400585 241.0039 4.413487 0.9942169 
8.616700 
1 1 1 10  19  8  o 75.79162 2.796672  1175.230       81.61886 1291.141       
152.0928 1128.349       96.72633 78.31548 4.625749 73.26776 3.144509 5.047714 
5.593344 
1 1 1 10  19  9  o 125.2667 3.281561  3298.687       172.5818 0.000000       
0.000000 3298.687       172.5818 ?        ?        125.2667 3.281561 ? ? 
1 1 1 10  19  10 o 287.8223 9.490697  17851.10       1091.820 17679.42       
1844.350 17943.71       1354.695 285.6873 15.37707 289.9572 11.12830 -4.269867 
18.98139 
1 1 1 10  19  11 o 133.0828 6.800416  3741.668       379.9586 0.000000       
0.000000 3741.668       379.9586 ?        ?        133.0828 6.800416 ? ? 
1 1 1 10  19  12 o 131.3051 2.890498  3630.677       154.4257 3616.682       
251.3003 3639.169       195.7452 131.0624 4.567050 131.5478 3.544286 
-0.4853363     5.780996 
1 1 1 10  19  13 f 58.96983 3.203888  742.9116       73.17931 704.2199       
130.1685 760.7913       88.48672 57.79405 5.364682 60.14561 3.504251 -2.351559 
6.407775 
1 1 1 10  19  14 o 169.0779 3.952773  6054.692       270.2228 5943.501       
444.7331 6119.765       340.2290 167.7249 6.315723 170.4310 4.754925 -2.706177 
7.905547 
1 1 1 10  19  15 o 16.20658 5.215318  -54.49670      66.71167 -36.29079      
133.8824 -60.51008      76.94426 19.32431 8.511779 13.08886 6.028913 6.235454 
10.43064 
1 1 1 10  19  16 o 37.94080 4.656165  288.3687       64.72334 359.8040       
128.3382 264.0030       74.95312 40.50370 7.826473 35.37790 5.046366 5.125805 
9.312329 
1 1 1 10  19  17 o 18.93497 4.881004  41.10316       62.13825 -174.1098      
120.5950 118.8951       72.50405 14.37873 6.904243 23.49121 6.901322 -9.112473 
9.762009 
1 1 1 10  19  18 o 171.2771 2.970253  6037.470       180.7943 6458.235       
379.7943 5914.185       205.5818 174.8669 5.173232 167.6872 2.920153 7.179688 
5.940507 
1 1 1 10  19  19 o 291.9449 5.881447  18096.35       575.7113 18373.61       
1289.925 18027.38       643.3416 291.8414 10.52782 292.0484 5.246962 
-0.2070007     11.76289 
1 1 1 10  19  20 o 77.02975 3.273856  1229.308       92.08578 1300.428       
185.3228 1205.991       106.1127 78.37611 5.632046 75.68341 3.339548 2.692696 
6.547711 
1 1 1 10  19  21 o 72.53638 3.055711  1093.473       79.41397 1142.401       
163.9109 1078.465       90.78018 73.48585 5.312822 71.58692 3.020497 1.898926 
6.111422 
1 1 1 10  19  22 o 65.38058 3.743760  888.1157       88.57272 935.9426       
180.4635 872.9385       101.6595 66.39787 6.473756 64.36329 3.762104 2.034584 
7.487519 
1 1 1 10  19  23 o 141.5680 3.339065  4227.826       169.9120 4241.449       
345.5203 4223.480       195.1368 141.4986 5.816245 141.6375 3.281573 
-0.1389618     6.678130 
1 1 1 10  19  24 o 61.51495 3.758085  716.8260       84.33868 976.8273       
178.9072 642.5376       95.63141 67.83750 6.281725 55.19240 4.127075 12.64510 
7.516171 
1 1 1 10  19  25 o 115.7804 3.468818  2776.000       142.4623 2947.391       
299.3426 2725.813       161.9828 117.8146 6.051881 113.7461 3.391981 4.068489 
6.937637 
1 1 1 10  19  26 o 120.5236 2.899440  2931.213       121.9568 3320.145       
266.2505 2827.943       137.1958 125.1545 5.067167 115.8927 2.819721 9.261795 
5.798880 
1 1 1 10  19  27 o 65.11382 4.224060  960.4405       99.08756 791.7848       
189.7793 1023.649       116.1810 60.64807 7.453375 69.57957 3.977174 -8.931496 
8.448119 
1 1 1 10  19  28 o 57.76402 4.460308  746.6224       90.48849 657.1402       
183.0316 775.5684       104.1005 55.01998 7.923678 60.50806 4.097892 -5.488087 
8.920616 
1 1 1 10  19  29 o 53.20552 5.014230  676.4481       88.35371 519.0853       
176.6912 728.9153       102.0252 47.80046 9.131202 58.61057 4.146223 -10.81010 
10.02846 
1 1 1 10  19  30 o 75.28188 4.684793  1245.740       126.6159 1194.145       
253.5226 1262.886       146.1477 73.58817 8.205966 76.97559 4.522306 -3.387428 
9.369585 
1 1 1 10  19  31 o 47.35415 6.353550  460.4687       112.8229 689.6526       
215.1502 373.5429       132.5025 54.33683 9.788376 40.37147 8.102969 13.96536 
12.70710 
1 1 1 10  19  32 o 75.22936 4.782789  1248.732       135.9483 1247.495       
253.9101 1249.229       160.9644 74.38877 8.130058 76.06995 5.040084 -1.681183 
9.565578 
1 1 1 10  19  33 o 82.67113 3.847883  1468.823       123.0210 1551.696       
224.5248 1433.271       147.0606 83.71438 6.388301 81.62787 4.291201 2.086510 
7.695765 
1 1 1 10  19  34 o 36.35053 7.502690  291.3320       111.9938 481.5409       
216.0558 221.4465       130.9617 42.59591 11.71966 30.10515 9.370758 12.49076 
15.00538 
1 1 1 10  19  35 o 48.28584 5.412012  504.1431       101.9222 656.4808       
190.2085 442.7846       120.7156 52.36553 8.651781 44.20615 6.504320 8.159374 
10.82402 
1 1 1 10  19  36 o 76.37128 5.392585  1401.515       151.6377 1315.144       
285.6728 1435.398       178.9254 72.48482 9.387347 80.25774 5.310142 -7.772926 
10.78517 
1 1 1 10  19  37 o 46.80503 7.037232  577.7108       123.8211 592.8928       
233.5988 571.7785       146.0222 44.45013 12.16694 49.15993 7.075036 -4.709805 
14.07446 
1 1 1 10  19  38 o 29.43164 7.788370  234.9252       119.2322 324.6996       
230.0726 201.9615       139.4142 31.66187 12.20655 27.20141 9.676512 4.460457 
15.57674 
1 1 1 10  19  39 o 25.06155 7.471965  133.7703       119.2715 331.5177       
235.8182 65.79568       138.2596 29.85081 12.08631 20.27229 8.788754 9.578524 
14.94393 
1 1 1 10  20  0  o 130.7272 2.210274  3567.495       109.6196 3662.125       
206.2817 3530.256       129.4033 131.8611 3.726190 129.5934 2.378392 2.267731 
4.420548 
1 1 1 10  20  1  o 38.76519 2.730575  315.2251       41.78718 320.2545       
73.01864 312.7757       50.95640 38.97260 4.462677 38.55778 3.147805 0.4148178 
5.461151 
1 1 1 10  20  2  o 142.5406 2.537828  4253.701       136.7653 4328.834       
258.2837 4224.427       161.2227 143.3290 4.292239 141.7522 2.709054 1.576889 
5.075656 
1 1 1 10  20  3  o 209.8970 3.472620  9350.202       282.9434 9135.463       
505.2336 9448.326       341.5228 207.9408 5.787269 211.8532 3.839775 -3.912430 
6.945240 
1 1 1 10  20  4  o 176.6825 2.832844  6631.343       206.7263 6209.599       
316.6419 6944.652       272.9171 171.6901 4.392828 181.6749 3.578137 -9.984787 
5.665687 
1 1 1 10  20  5  o 48.49921 3.169179  543.8145       57.38119 376.9556       
98.34772 629.9318       70.65366 42.26334 5.542702 54.73507 3.074610 -12.47173 
6.338357 
1 1 1 10  20  6  o 59.16610 2.690374  709.3771       62.78148 815.4523       
112.8740 661.8608       75.54543 62.22943 4.320351 56.10278 3.207339 6.126648 
5.380749 
1 1 1 10  20  7  o 87.40303 2.579700  1662.028       89.77008 1417.044       
146.6199 1808.935       113.5391 82.04047 4.256826 92.76560 2.915275 -10.72514 
5.159399 
1 1 1 10  20  8  o 157.8009 3.014908  5248.710       199.3587 5126.152       
289.0119 5359.959       275.3551 156.0252 4.412065 159.5766 4.110031 -3.551346 
6.029815 
1 1 1 10  20  9  o 101.3729 2.723150  2211.377       110.7229 1985.392       
180.9363 2346.665       139.9958 97.09918 4.438450 105.6465 3.156319 -8.547363 
5.446300 
1 1 1 10  20  10 o 72.37593 4.079440  1091.809       110.4754 1135.888       
213.2283 1075.635       129.1634 73.27618 6.931116 71.47568 4.304296 1.800499 
8.158880 
1 1 1 10  20  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  20  12 o 151.1935 4.947075  4849.962       290.8310 4809.129       
519.4700 4868.604       350.9965 150.4890 8.221989 151.8980 5.503916 -1.409042 
9.894150 
1 1 1 10  20  13 o 77.56244 2.933630  1205.665       83.16409 1392.064       
170.5311 1147.500       95.25979 81.25202 4.999083 73.87286 3.071466 7.379158 
5.867260 
1 1 1 10  20  14 o 45.96610 3.590152  420.3875       61.83757 502.3792       
122.7497 392.5026       71.58468 48.75481 5.996861 43.17739 3.948978 5.577419 
7.180305 
1 1 1 10  20  15 o 121.3416 3.154417  3177.413       147.8456 2909.183       
261.7141 3303.132       179.1741 117.3892 5.310312 125.2940 3.406166 -7.904831 
6.308834 
1 1 1 10  20  16 o 196.7166 4.337002  8159.593       289.8452 8241.095       
638.6235 8138.451       325.2766 196.8646 7.726777 196.5686 3.941482 0.2959442 
8.674005 
1 1 1 10  20  17 o 105.5589 3.045273  2366.174       122.1361 2309.099       
226.3047 2389.631       145.0791 104.5552 5.155480 106.5627 3.242803 -2.007553 
6.090546 
1 1 1 10  20  18 o 190.9706 3.530011  7565.855       242.4066 7972.795       
498.6173 7439.907       277.3940 193.9728 6.122764 187.9684 3.515064 6.004425 
7.060022 
1 1 1 10  20  19 o 59.73038 3.415972  763.0338       73.41104 735.1514       
147.5319 772.2093       84.63247 58.89873 5.966246 60.56203 3.328570 -1.663296 
6.831944 
1 1 1 10  20  20 o 57.12924 3.592663  632.0558       75.27644 812.1504       
156.7512 578.0730       85.82000 61.89139 6.032562 52.36708 3.903473 9.524307 
7.185326 
1 1 1 10  20  21 f 44.34236 4.573584  347.7510       75.60461 642.5474       
150.6245 248.4637       87.41409 55.00931 6.521996 33.67541 6.413599 21.33390 
9.147168 
1 1 1 10  20  22 o 78.85138 3.109112  1249.260       89.32001 1439.670       
183.9093 1190.481       102.1805 82.50163 5.309606 75.20113 3.236418 7.300499 
6.218225 
1 1 1 10  20  23 o 25.05658 6.291500  107.3724       73.40042 144.5417       
151.5174 95.97481       83.90279 28.02444 10.07590 22.08871 7.537114 5.935724 
12.58300 
1 1 1 10  20  24 o 76.87733 3.302355  1236.961       94.96800 1274.782       
182.9248 1223.005       111.1160 77.56297 5.617450 76.19171 3.473680 1.371254 
6.604711 
1 1 1 10  20  25 o 98.48988 3.354613  2035.817       122.0786 2086.771       
239.3744 2017.906       141.9222 99.13699 5.751260 97.84277 3.454957 1.294220 
6.709227 
1 1 1 10  20  26 o 73.62832 3.555221  1153.248       94.97421 1143.156       
189.7477 1156.621       109.7055 73.21904 6.172676 74.03760 3.529369 
-0.8185577     7.110441 
1 1 1 10  20  27 o 16.38963 5.194656  -32.91771      69.73244 -90.55821      
129.7868 -9.525654      82.68005 17.10379 7.858126 15.67547 6.796151 1.428321 
10.38931 
1 1 1 10  20  28 f 24.74051 6.208174  123.4415       78.29193 34.06747       
160.4088 151.3900       89.70201 23.32130 9.761353 26.15973 7.673439 -2.838427 
12.41635 
1 1 1 10  20  29 o 43.60875 5.443990  417.3872       84.38329 431.7391       
168.2965 412.5674       97.52840 43.29382 9.517203 43.92368 5.288756 
-0.6298599     10.88798 
1 1 1 10  20  30 o 102.1928 4.455255  2307.521       173.7054 2144.997       
314.0176 2379.181       208.5130 98.85323 7.566310 105.5324 4.706179 -6.679184 
8.910509 
1 1 1 10  20  31 o 59.45405 5.949508  910.5654       120.5790 560.7409       
214.0114 1073.263       145.9496 48.22773 10.83493 70.68036 4.918416 -22.45263 
11.89902 
1 1 1 10  20  32 o 103.2508 4.419696  2347.500       180.1392 2317.469       
310.9934 2362.663       220.9868 101.9566 7.265356 104.5449 5.034826 -2.588310 
8.839393 
1 1 1 10  20  33 o 60.40850 4.543587  807.1414       106.3825 818.1002       
190.9703 802.2106       128.0991 60.06209 7.573321 60.75491 5.022105 
-0.6928215     9.087173 
1 1 1 10  20  34 o 93.61864 4.342519  1896.285       153.5758 2093.062       
293.7801 1822.289       180.1514 95.71407 7.310847 91.52320 4.688432 4.190865 
8.685038 
1 1 1 10  20  35 o 35.86538 7.419581  344.4474       114.3906 306.3861       
218.4294 358.8307       134.2761 33.61070 12.09651 38.12006 8.595059 -4.509361 
14.83916 
1 1 1 10  20  36 o 33.91525 6.863042  249.0681       101.8943 499.2450       
185.3930 140.7873       121.9678 43.19347 10.34447 24.63702 9.022051 18.55645 
13.72608 
1 1 1 10  20  37 o 45.68814 7.074054  530.9391       115.3549 619.2593       
242.7762 505.1849       131.0993 44.96829 12.44565 46.40800 6.728658 -1.439705 
14.14811 
1 1 1 10  20  38 o 19.66274 6.500831  -44.23937      115.8442 13.75640       
227.9492 -64.43340      134.5090 22.63323 10.40509 16.69225 7.795979 5.940979 
13.00166 
1 1 1 10  20  39 o 23.63249 7.260150  98.59747       119.1370 281.5146       
232.2679 33.29073       138.7845 28.13255 11.75867 19.13244 8.518966 9.000111 
14.52030 
1 1 1 10  21  0  o 156.0906 1.974002  5160.333       100.6607 5069.511       
232.2626 5181.337       111.6956 155.1350 3.566075 157.0462 1.694064 -1.911118 
3.948005 
1 1 1 10  21  1  o 111.3457 2.427832  2599.964       98.78108 2632.085       
196.5681 2589.112       114.2558 111.7202 4.190854 110.9712 2.452388 0.7490311 
4.855663 
1 1 1 10  21  2  o 86.27092 2.528716  1576.104       78.75242 1549.973       
158.4253 1584.680       90.76035 85.72316 4.401975 86.81868 2.490027 -1.095520 
5.057432 
1 1 1 10  21  3  o 85.22175 2.612882  1381.671       76.36579 1794.687       
175.9489 1285.811       84.76591 92.24026 4.543464 78.20323 2.581770 14.03703 
5.225763 
1 1 1 10  21  4  o 74.44435 2.327693  1154.565       68.63839 1200.930       
119.8193 1131.919       83.73999 75.51728 3.779215 73.37142 2.718486 2.145859 
4.655387 
1 1 1 10  21  5  o 124.2325 2.628449  3311.596       133.5686 2929.829       
206.7605 3585.025       174.9810 117.9221 4.176315 130.5428 3.192706 -12.62067 
5.256898 
1 1 1 10  21  6  o 83.96812 2.349045  1488.831       78.96943 1465.154       
133.0055 1501.722       98.13963 83.42170 3.797622 84.51455 2.765884 -1.092850 
4.698090 
1 1 1 10  21  7  o 71.26720 2.617782  1107.779       74.96884 910.8161       
118.3351 1239.833       96.89425 65.75080 4.286804 76.78361 3.005734 -11.03281 
5.235564 
1 1 1 10  21  8  o 73.64235 2.685157  1175.384       76.70841 1050.375       
133.8234 1236.557       93.61406 70.59708 4.515091 76.68761 2.907615 -6.090538 
5.370315 
1 1 1 10  21  9  o 93.64896 2.760366  1881.078       103.7099 1722.880       
170.4118 1974.137       130.7011 90.41865 4.489135 96.87926 3.213434 -6.460609 
5.520733 
1 1 1 10  21  10 o 127.4309 4.640478  3429.362       228.3813 3457.762       
414.6446 3416.994       273.6269 127.6017 7.739996 127.2601 5.121387 0.3415756 
9.280956 
1 1 1 10  21  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  21  12 o 84.29337 3.725223  1513.068       118.0461 1470.217       
222.2885 1529.900       139.3135 83.34754 6.352508 85.23918 3.892915 -1.891640 
7.450446 
1 1 1 10  21  13 o 137.7016 7.069939  4022.365       408.7273 4022.365       
408.7273 0.000000       0.000000 137.7016 7.069939 ?        ?        ? ? 
1 1 1 10  21  14 o 45.11408 5.856925  411.0085       96.96446 513.2593       
191.8714 375.9380       112.3695 48.09657 9.841591 42.13159 6.352746 5.964981 
11.71385 
1 1 1 10  21  15 o 109.9409 2.841379  2558.893       111.2398 2523.904       
228.4245 2569.770       127.3628 109.3360 4.976233 110.5458 2.744236 -1.209801 
5.682757 
1 1 1 10  21  16 o 32.55383 5.014624  204.6089       60.58159 309.6427       
120.0695 168.7380       70.16795 37.42830 7.887937 27.67936 6.194049 9.748938 
10.02925 
1 1 1 10  21  17 o 102.6152 2.782528  2188.335       103.6463 2281.166       
209.7751 2158.354       119.2139 103.9338 4.807489 101.2966 2.803194 2.637161 
5.565056 
1 1 1 10  21  18 o 104.6354 2.929222  2281.950       113.7965 2367.065       
222.2236 2251.698       132.4853 105.8318 5.001439 103.4391 3.050732 2.392746 
5.858444 
1 1 1 10  21  19 o 119.8180 3.121245  3100.001       145.5766 2836.801       
254.0106 3228.734       177.6458 115.8149 5.224064 123.8211 3.417286 -8.006195 
6.242491 
1 1 1 10  21  20 o 56.73949 3.771544  671.9222       78.23415 699.6582       
156.5172 662.6846       90.32761 57.40474 6.494346 56.07424 3.836880 1.330502 
7.543088 
1 1 1 10  21  21 o 112.2878 3.110818  2638.893       132.5603 2711.380       
249.2798 2610.313       156.5266 113.2317 5.243730 111.3440 3.348440 1.887657 
6.221636 
1 1 1 10  21  22 o 98.13767 3.010490  1944.617       109.0184 2216.095       
219.6038 1855.833       125.5863 102.3808 5.109078 93.89457 3.185831 8.486206 
6.020979 
1 1 1 10  21  23 o 80.65216 2.964075  1317.500       90.90768 1502.535       
174.4254 1248.494       106.5186 84.30569 4.928036 76.99863 3.295060 7.307060 
5.928150 
1 1 1 10  21  24 o 110.3012 2.767039  2463.683       96.71180 2726.696       
238.7025 2412.031       105.7830 113.5062 5.009085 107.0963 2.352678 6.409958 
5.534079 
1 1 1 10  21  25 o 106.2507 3.014251  2205.835       109.5919 2707.390       
250.2010 2086.763       121.9087 112.9611 5.275714 99.54044 2.917132 13.42062 
6.028501 
1 1 1 10  21  26 o 126.8524 3.335321  3317.128       152.7520 3601.138       
314.3394 3229.328       174.7757 129.9937 5.759671 123.7111 3.365063 6.282570 
6.670642 
1 1 1 10  21  27 o 26.64326 6.413817  143.1779       78.38876 137.0706       
157.5665 145.1867       90.36520 27.55506 10.22986 25.73146 7.739392 1.823605 
12.82763 
1 1 1 10  21  28 o 17.59994 5.615007  -96.46854      75.01514 50.16764       
155.2482 -141.1329      85.68137 23.58083 9.716406 11.61905 5.630691 11.96178 
11.23001 
1 1 1 10  21  29 o 51.59148 5.682891  482.0973       107.2047 861.7599       
226.4543 372.4330       121.7067 62.42189 8.641015 40.76107 7.383351 21.66081 
11.36578 
1 1 1 10  21  30 o 114.8329 3.785316  2795.552       170.8578 2952.734       
303.2057 2722.419       206.8214 116.7011 6.188474 112.9646 4.360880 3.736488 
7.570633 
1 1 1 10  21  31 o 32.54817 7.450104  238.1090       108.5673 271.2364       
202.7389 224.7898       128.5529 34.07112 11.71237 31.02523 9.210684 3.045889 
14.90021 
1 1 1 10  21  32 o 20.70768 6.500829  -2.727324      99.90205 -58.12920      
206.0985 14.28803       114.2176 22.44320 10.16987 18.97215 8.100428 3.471046 
13.00166 
1 1 1 10  21  33 o 51.37574 6.646494  767.0159       120.3687 362.4217       
220.7803 938.1429       143.5852 37.19904 12.22636 65.55243 5.217255 -28.35339 
13.29299 
1 1 1 10  21  34 o 25.17321 7.045201  118.4481       114.4164 -36.59293      
215.4317 179.3627       135.0352 22.81737 10.36083 27.52906 9.549479 -4.711693 
14.09040 
1 1 1 10  21  35 o 26.47157 6.645076  159.3869       111.7858 -134.6006      
214.5219 268.9720       130.9734 20.40545 9.604320 32.53769 9.186140 -12.13223 
13.29015 
1 1 1 10  21  36 o 34.75858 7.133788  356.4451       112.0343 197.0057       
238.6204 401.5301       126.8895 28.93533 11.99487 40.58182 7.725728 -11.64649 
14.26758 
1 1 1 10  21  37 o 22.03970 6.633358  67.32961       99.61324 105.1426       
183.5506 51.54323       118.5977 24.25011 10.30867 19.82929 8.350870 4.420828 
13.26672 
1 1 1 10  21  38 o 33.32755 7.724305  347.4367       122.0090 315.2110       
245.4766 358.0096       140.6064 30.67660 12.36810 35.97851 9.256863 -5.301908 
15.44861 
1 1 1 10  21  39 o 24.01993 7.102075  155.4571       111.8097 138.5844       
234.3734 160.4284       127.2196 24.12830 10.89382 23.91156 9.114959 0.2167397 
14.20415 
1 1 1 10  22  0  o 141.7239 1.912639  4263.440       110.1455 4065.500       
177.7453 4386.834       140.3390 138.9914 3.046009 144.4564 2.313997 -5.464951 
3.825278 
1 1 1 10  22  1  o 147.7592 2.107200  4299.668       89.27798 5009.217       
252.1061 4197.927       95.46438 154.1546 3.895365 141.3639 1.608510 12.79065 
4.214400 
1 1 1 10  22  2  o 54.27676 2.313115  580.3201       48.11974 718.8088       
92.53670 528.9922       56.33561 58.40312 3.773975 50.15040 2.675652 8.252720 
4.626230 
1 1 1 10  22  3  o 103.2168 2.071374  2164.168       79.05053 2405.568       
157.9367 2083.478       91.31138 106.8719 3.519984 99.56165 2.184510 7.310242 
4.142749 
1 1 1 10  22  4  o 28.54031 4.460111  168.4816       46.40602 201.3226       
93.91853 157.8737       53.37708 30.15812 7.451326 26.92251 4.903885 3.235603 
8.920221 
1 1 1 10  22  5  o 120.5251 3.111870  3074.961       130.1562 3044.866       
277.3985 3083.457       147.3872 119.9804 5.506995 121.0699 2.899644 -1.089424 
6.223740 
1 1 1 10  22  6  o 70.12331 2.807653  1067.687       75.93530 953.9670       
133.8309 1121.681       92.21671 67.22848 4.741591 73.01815 3.008152 -5.789673 
5.615307 
1 1 1 10  22  7  o 203.4582 4.366452  8825.159       326.6337 8649.465       
637.9683 8887.578       380.2528 201.6287 7.536465 205.2877 4.411950 -3.658951 
8.732903 
1 1 1 10  22  8  o 25.71896 5.466734  127.5180       56.40504 175.8963       
116.6925 112.7687       64.43204 28.66871 8.829849 22.76920 6.447829 5.899511 
10.93347 
1 1 1 10  22  9  o 83.23222 3.265678  1542.346       96.82336 1306.762       
190.6286 1624.252       112.4015 78.59562 5.777112 87.86883 3.046900 -9.273209 
6.531357 
1 1 1 10  22  10 o 146.4698 4.422173  4570.455       253.4089 4471.118       
445.9060 4617.841       307.9759 145.0430 7.322641 147.8966 4.959978 -2.853622 
8.844345 
1 1 1 10  22  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  22  12 o 193.8162 5.454556  7943.262       388.4888 8110.514       
766.6155 7885.470       450.6370 194.5272 9.386816 193.1052 5.558454 1.422028 
10.90911 
1 1 1 10  22  13 o 163.7132 5.261662  5739.756       308.6509 5629.323       
625.9822 5775.228       354.7746 162.0874 9.198856 165.3390 5.110911 -3.251587 
10.52332 
1 1 1 10  22  14 o 50.81247 5.056480  545.4814       107.8692 0.000000       
0.000000 545.4814       107.8692 ?        ?        50.81247 5.056480 ? ? 
1 1 1 10  22  15 o 83.16924 4.434391  1466.191       153.2083 1472.178       
234.4178 1461.727       202.4245 83.25660 6.706455 83.08187 5.803339 0.1747284 
8.868781 
1 1 1 10  22  16 o 132.6354 3.681149  3724.073       204.6825 3504.185       
290.1790 3941.809       288.7557 128.7036 5.370276 136.5672 5.036227 -7.863647 
7.362299 
1 1 1 10  22  17 o 51.25220 3.798787  578.8889       70.44521 509.4709       
136.9322 603.8737       82.15008 48.96742 6.660695 53.53699 3.654896 -4.569565 
7.597573 
1 1 1 10  22  18 o 126.1362 2.980238  3182.340       136.2542 3705.146       
283.3759 3025.124       155.3965 132.3834 5.098596 119.8890 3.087328 12.49435 
5.960476 
1 1 1 10  22  19 o 188.9435 4.526941  7383.338       296.3445 7925.120       
644.8580 7238.289       333.6643 192.6550 7.972692 185.2320 4.290569 7.422989 
9.053883 
1 1 1 10  22  20 o 206.8704 4.536028  9070.776       334.9271 9106.422       
687.5220 9059.686       383.5111 206.5374 7.928828 207.2034 4.408615 
-0.6660156     9.072056 
1 1 1 10  22  21 o 207.0841 4.023298  8761.149       235.5347 9526.006       
664.1288 8651.105       251.9092 211.4050 7.482698 202.7633 2.959210 8.641647 
8.046596 
1 1 1 10  22  22 f 195.3465 3.362042  8013.661       220.0631 8145.113       
494.8681 7981.258       245.6927 195.9578 6.015171 194.7352 3.005168 1.222549 
6.724084 
1 1 1 10  22  23 o 142.1643 2.828618  4129.875       135.5911 4492.568       
307.4901 4042.327       151.0720 145.7085 5.026521 138.6201 2.595845 7.088318 
5.657237 
1 1 1 10  22  24 o 53.61121 3.955817  539.0450       75.47141 751.4651       
166.8914 484.4373       84.61802 59.34027 6.698932 47.88214 4.209305 11.45813 
7.911633 
1 1 1 10  22  25 o 121.3792 2.764310  3096.655       125.5130 3149.719       
240.9769 3076.900       147.0314 121.9092 4.708254 120.8492 2.897926 1.059990 
5.528620 
1 1 1 10  22  26 o 55.78167 4.133382  677.6744       78.52179 641.3584       
169.2095 687.6411       88.64419 54.52635 7.391613 57.03698 3.701816 -2.510632 
8.266764 
1 1 1 10  22  27 o 34.66431 5.885647  213.7950       70.88474 396.2804       
164.6799 172.2955       78.53226 41.58804 9.616315 27.74059 6.788952 13.84745 
11.77129 
1 1 1 10  22  28 o 49.84026 5.258580  609.3763       84.45622 444.4171       
173.4631 660.6308       96.69078 43.89585 9.672962 55.78466 4.128491 -11.88881 
10.51716 
1 1 1 10  22  29 o 79.71095 4.197082  1339.604       133.3746 1468.671       
231.9875 1275.879       163.0081 82.21489 6.721019 77.20702 5.028905 5.007866 
8.394164 
1 1 1 10  22  30 o 21.31441 6.608504  -15.10440      98.98315 47.43291       
197.6692 -36.03386      114.3532 25.35961 10.73533 17.26920 7.709864 8.090410 
13.21701 
1 1 1 10  22  31 o 74.82065 4.724471  1264.476       136.9365 1144.884       
238.5491 1323.252       167.2348 71.36910 7.961385 78.27220 5.089090 -6.903099 
9.448941 
1 1 1 10  22  32 o 23.96139 6.776614  84.14299       108.9069 -106.5757      
208.4404 155.7574       127.7278 21.38629 9.878221 26.53649 9.279589 -5.150196 
13.55323 
1 1 1 10  22  33 o 41.38851 7.185119  427.8776       114.0092 430.0411       
221.6210 427.0989       132.9507 40.09633 12.13240 42.68068 7.701213 -2.584351 
14.37024 
1 1 1 10  22  34 o 34.48446 5.913964  338.6521       100.4084 38.05548       
180.5778 473.1857       120.8058 23.09147 10.02802 45.87744 6.272053 -22.78596 
11.82793 
1 1 1 10  22  35 o 33.48764 7.716058  272.7823       113.0529 392.0558       
221.3158 230.6706       131.5048 36.91729 12.24117 30.05799 9.397013 6.859297 
15.43212 
1 1 1 10  22  36 o 28.65288 7.707658  196.0627       115.7969 264.8761       
231.0262 172.9742       133.8206 30.91960 12.16276 26.38615 9.470972 4.533449 
15.41532 
1 1 1 10  22  37 o 44.24487 7.358620  553.3287       128.1891 520.2859       
238.2256 566.7958       152.0844 40.14652 12.66682 48.34321 7.493252 -8.196690 
14.71724 
1 1 1 10  22  38 o 36.87786 7.037023  366.0914       101.9705 476.0899       
198.4090 326.6079       118.8710 38.62593 11.43781 35.12979 8.200938 3.496143 
14.07405 
1 1 1 10  22  39 o 25.27935 7.435868  187.7638       121.0348 222.8946       
239.5752 175.7244       140.2491 26.05095 11.43084 24.50776 9.513384 1.543196 
14.87174 
1 1 1 10  23  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  23  1  o 21.89838 3.779116  115.5458       36.72398 41.58425       
63.18045 153.2846       45.13092 16.83211 6.421376 26.96466 3.986579 -10.13255 
7.558233 
1 1 1 10  23  2  o 186.0392 2.787413  7364.346       210.1414 7024.928       
341.3561 7571.471       266.6590 182.4472 4.456477 189.6313 3.349403 -7.184113 
5.574826 
1 1 1 10  23  3  o 112.3008 2.252490  2546.216       84.32523 2835.677       
195.3224 2479.906       93.48631 115.9727 4.011598 108.6288 2.049859 7.343864 
4.504979 
1 1 1 10  23  4  f 23.39830 4.386064  124.0760       41.60454 98.64361       
78.21054 134.1130       49.13309 22.02477 7.276952 24.77183 4.898591 -2.747061 
8.772128 
1 1 1 10  23  5  o 110.5185 2.470236  2516.507       94.35918 2672.202       
205.8059 2475.068       106.1765 112.5332 4.356105 108.5038 2.330796 4.029327 
4.940472 
1 1 1 10  23  6  o 187.2247 2.779330  7390.668       200.6438 7385.642       
364.7121 7392.851       240.2717 187.0233 4.644893 187.4261 3.053471 
-0.4028015     5.558661 
1 1 1 10  23  7  o 72.75218 2.353439  1134.621       66.09062 1062.093       
117.8787 1167.873       79.81554 70.98100 3.955619 74.52336 2.551033 -3.542358 
4.706877 
1 1 1 10  23  8  o 99.74026 2.555545  2205.509       97.60178 1811.238       
169.7793 2400.124       119.2823 92.65323 4.364608 106.8273 2.659592 -14.17406 
5.111089 
1 1 1 10  23  9  o 71.07565 2.869678  1143.050       77.64594 860.6830       
132.4945 1290.749       95.82507 63.82508 4.944560 78.32622 2.914024 -14.50113 
5.739356 
1 1 1 10  23  10 o 159.8518 5.077348  5495.426       332.1084 5157.072       
523.1544 5723.824       429.8242 155.4201 8.017589 164.2836 6.231863 -8.863449 
10.15470 
1 1 1 10  23  11 o 219.7961 7.080884  10416.68       644.2000 10380.05       
996.1639 10443.01       844.5636 218.9760 10.83566 220.6163 9.118340 -1.640350 
14.16177 
1 1 1 10  23  12 o 119.6105 3.956557  3031.255       186.1741 3020.172       
325.7573 3036.631       226.8772 119.2729 6.505391 119.9481 4.505247 
-0.6751556     7.913114 
1 1 1 10  23  13 o 64.44627 4.429751  843.3577       103.2994 956.7885       
213.9911 808.8945       117.9525 66.98930 7.608716 61.90326 4.538526 5.086037 
8.859502 
1 1 1 10  23  14 o 146.4797 5.019817  4414.520       273.3687 4896.898       
540.3708 4248.604       316.9134 151.2432 8.510149 141.7163 5.326500 9.526901 
10.03963 
1 1 1 10  23  15 o 48.09114 5.962579  505.5935       103.1506 500.4895       
200.4858 507.4311       120.2939 47.24672 10.38876 48.93557 5.855178 -1.688850 
11.92516 
1 1 1 10  23  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  23  17 o 39.51743 6.346381  365.6589       97.45294 271.4861       
180.8532 404.1913       115.6847 35.38961 11.01126 43.64524 6.313354 -8.255634 
12.69276 
1 1 1 10  23  18 o 159.4477 2.894987  5349.179       176.7732 5389.748       
325.8215 5332.255       210.4378 159.7289 4.858669 159.1665 3.149148 0.5623779 
5.789973 
1 1 1 10  23  19 o 131.1666 3.338229  3566.256       155.4790 3760.241       
325.7629 3509.032       176.9314 133.2282 5.824070 129.1050 3.264246 4.123199 
6.676459 
1 1 1 10  23  20 o 105.3727 2.861974  2331.701       108.7072 2360.400       
220.7011 2322.508       124.9104 105.6773 4.974436 105.0682 2.831708 0.6091003 
5.723948 
1 1 1 10  23  21 o 78.39226 3.224274  1258.889       93.24059 1380.036       
186.2712 1218.385       107.7055 80.72605 5.496080 76.05846 3.372961 4.667587 
6.448547 
1 1 1 10  23  22 o 121.2123 3.360253  3108.328       145.4840 3102.643       
298.1230 3110.105       166.6782 120.9110 5.872875 121.5136 3.267193 
-0.6026230     6.720507 
1 1 1 10  23  23 o 85.71193 2.972302  1493.545       95.75619 1684.446       
186.8534 1425.555       111.5121 89.17302 4.991013 82.25083 3.229257 6.922188 
5.944603 
1 1 1 10  23  24 o 94.25520 2.909086  1845.066       100.0421 1945.820       
201.3876 1812.056       115.2710 95.77209 5.008581 92.73832 2.960614 3.033775 
5.818172 
1 1 1 10  23  25 o 96.14032 3.095737  2006.485       113.7348 1839.095       
205.0109 2080.909       136.7004 92.97681 5.251984 99.30383 3.278875 -6.327011 
6.191474 
1 1 1 10  23  26 o 48.10837 4.492070  440.9231       79.86509 620.7355       
166.6148 387.2837       91.00093 53.56876 7.408375 42.64798 5.082396 10.92078 
8.984139 
1 1 1 10  23  27 o 38.08424 5.451349  250.8454       77.36926 508.6534       
162.3824 175.1297       88.00018 48.26123 8.014229 27.90725 7.391953 20.35399 
10.90270 
1 1 1 10  23  28 o 149.2265 3.910122  4742.218       212.1366 4851.128       
425.0082 4706.083       244.8132 149.5511 6.769066 148.9020 3.916115 0.6491089 
7.820244 
1 1 1 10  23  29 o 58.43613 5.334751  754.2791       117.7866 744.5781       
219.3758 758.2083       139.6179 57.56443 9.077277 59.30783 5.607253 -1.743408 
10.66950 
1 1 1 10  23  30 o 47.12756 6.522382  539.6986       114.1712 452.3202       
209.1205 576.8034       136.2730 42.86824 11.41347 51.38689 6.316530 -8.518646 
13.04476 
1 1 1 10  23  31 o 39.67503 6.834901  416.6566       115.3339 227.3151       
208.0036 500.7121       138.5897 31.87293 11.76947 47.47713 6.952926 -15.60420 
13.66980 
1 1 1 10  23  32 o 56.12105 6.169080  806.2785       120.1510 586.0396       
220.3889 899.4212       143.3233 48.05533 11.13298 64.18678 5.318540 -16.13145 
12.33816 
1 1 1 10  23  33 o 49.47366 5.725433  576.1480       107.1925 569.7534       
188.4195 579.2080       130.3404 47.95070 9.698522 50.99662 6.087776 -3.045921 
11.45087 
1 1 1 10  23  34 o 48.61633 6.099976  638.4244       107.8623 399.7840       
185.6862 759.9563       132.5112 38.65843 10.94545 58.57422 5.388492 -19.91579 
12.19995 
1 1 1 10  23  35 o 42.28218 6.983788  492.9318       111.8845 395.7671       
227.8176 523.8165       128.4413 36.69491 12.41968 47.86945 6.390976 -11.17454 
13.96758 
1 1 1 10  23  36 o 23.58945 7.156348  79.93634       115.1506 115.2266       
222.9305 67.09446       134.4796 25.84836 11.18243 21.33053 8.933455 4.517824 
14.31270 
1 1 1 10  23  37 o 23.50369 6.725179  104.3195       117.6794 -174.5195      
228.6268 204.8220       137.2583 19.50867 9.401196 27.49871 9.619231 -7.990044 
13.45036 
1 1 1 10  23  38 o 23.26557 6.954965  124.7576       116.7547 13.31284       
231.9812 162.5634       135.1147 22.05257 10.27566 24.47857 9.375335 -2.426003 
13.90993 
1 1 1 10  23  39 f 32.50320 8.490437  396.3937       149.0478 485.7387       
247.7445 345.7114       186.5936 33.91053 12.77992 31.09587 11.18139 2.814659 
16.98087 
1 1 1 10  24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  24  1  o 69.28743 2.085554  1039.173       55.86429 934.1582       
98.24094 1089.358       67.91331 66.58981 3.514033 71.98505 2.247158 -5.395233 
4.171108 
1 1 1 10  24  2  o 138.7152 2.605460  3849.247       120.9643 4400.825       
280.3268 3723.042       134.0908 144.3616 4.625237 133.0688 2.400180 11.29283 
5.210920 
1 1 1 10  24  3  o 103.4097 2.257999  2223.215       89.35725 2318.538       
166.3224 2184.537       105.9462 104.8915 3.776866 101.9279 2.475789 2.963646 
4.515999 
1 1 1 10  24  4  o 81.19559 2.231075  1368.681       73.17679 1456.178       
123.0539 1320.810       91.01953 83.14878 3.525012 79.24239 2.735887 3.906387 
4.462150 
1 1 1 10  24  5  o 32.43450 3.832402  194.4585       47.15020 314.9344       
91.75095 151.2251       54.96296 38.56698 5.666515 26.30202 5.161378 12.26496 
7.664804 
1 1 1 10  24  6  o 88.22142 2.276724  1664.088       79.91475 1555.362       
134.4759 1723.448       99.36348 85.91669 3.728103 90.52615 2.614411 -4.609459 
4.553449 
1 1 1 10  24  7  o 65.94003 2.657303  916.4346       64.79934 915.8193       
126.1771 916.6550       75.51891 65.86526 4.562944 66.01479 2.724806 
-0.1495209     5.314605 
1 1 1 10  24  8  o 60.09289 2.775652  732.3267       61.23466 821.2643       
123.9058 703.5850       70.43758 62.35814 4.732814 57.82763 2.901283 4.530514 
5.551304 
1 1 1 10  24  9  o 13.64443 4.287780  -28.96293      50.23408 -123.2335      
91.97167 11.11715       59.96947 12.79567 6.116281 14.49318 6.010934 -1.697508 
8.575560 
1 1 1 10  24  10 o 136.5182 4.191129  3919.046       222.6263 4032.734       
400.7725 3868.309       267.7337 137.6990 6.932471 135.3373 4.712015 2.361771 
8.382257 
1 1 1 10  24  11 o 104.0330 3.891601  2275.174       151.0617 2325.031       
291.4607 2256.862       176.6382 104.6124 6.636173 103.4536 4.066870 1.158882 
7.783201 
1 1 1 10  24  12 o 126.9020 4.301027  3457.556       219.0388 3263.025       
362.5402 3569.389       274.8811 123.8560 6.972045 129.9480 5.038444 -6.091988 
8.602054 
1 1 1 10  24  13 o 62.59935 3.978685  846.3766       99.99306 768.7701       
163.5072 892.7412       126.3808 60.17444 6.472109 65.02425 4.629421 -4.849812 
7.957370 
1 1 1 10  24  14 o 47.35406 5.033336  430.2364       93.33347 615.7186       
175.0410 356.5524       110.3254 53.72228 7.760798 40.98585 6.411545 12.73643 
10.06667 
1 1 1 10  24  15 o 102.4321 3.995227  2150.280       157.1797 2398.306       
294.9636 2051.920       185.7495 106.2634 6.611585 98.60078 4.487127 7.662651 
7.990455 
1 1 1 10  24  16 o 126.2543 4.318184  3284.029       205.8387 3600.161       
396.0702 3167.049       240.9310 130.0407 7.254608 122.4679 4.685885 7.572815 
8.636369 
1 1 1 10  24  17 o 166.4422 4.868894  5902.008       332.1443 5833.613       
528.6900 5946.604       426.9101 165.4091 7.613121 167.4754 6.071646 -2.066284 
9.737787 
1 1 1 10  24  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  24  19 o 106.0814 3.965606  2367.778       165.2330 2427.793       
292.0447 2339.522       200.3902 106.9007 6.507136 105.2622 4.534458 1.638527 
7.931212 
1 1 1 10  24  20 o 29.61482 5.184837  229.1276       71.93385 -4.094305      
141.3764 310.5977       83.55867 20.91904 8.974471 38.31061 5.195096 -17.39157 
10.36967 
1 1 1 10  24  21 o 236.4762 4.939405  11854.45       384.7563 12045.40       
882.7293 11809.66       427.5028 236.4847 8.890896 236.4676 4.306143 
0.1718140E-01  9.878810 
1 1 1 10  24  22 o 54.86445 3.955417  607.2610       78.89607 704.4055       
163.0530 577.5638       90.15240 57.43964 6.761424 52.28926 4.106632 5.150372 
7.910833 
1 1 1 10  24  23 o 70.96291 3.335825  1005.774       87.03336 1196.172       
177.7985 945.7743       99.80888 74.98182 5.647981 66.94399 3.551229 8.037827 
6.671650 
1 1 1 10  24  24 o 84.82985 3.059303  1483.237       93.39050 1604.875       
192.9958 1446.046       106.7169 86.85048 5.292936 82.80922 3.069557 4.041260 
6.118607 
1 1 1 10  24  25 o 22.37805 5.714248  94.22743       72.11269 -60.99122      
150.2356 140.6956       82.20126 19.51359 8.770865 25.24250 7.326830 -5.728907 
11.42850 
1 1 1 10  24  26 o 53.71828 4.056837  527.3905       80.67558 826.3624       
170.1643 440.7043       91.62798 61.93627 6.544018 45.50028 4.796618 16.43599 
8.113674 
1 1 1 10  24  27 o 84.06093 3.348309  1478.542       103.6619 1565.363       
205.6267 1448.958       120.0304 85.38317 5.736253 82.73869 3.455444 2.644485 
6.696618 
1 1 1 10  24  28 o 43.88422 4.626641  386.1262       80.81967 525.0603       
145.3910 323.9977       97.22506 49.03608 7.062245 38.73236 5.978956 10.30372 
9.253282 
1 1 1 10  24  29 o 32.53014 6.411970  268.7240       110.2562 -38.40710      
198.8784 405.0064       132.4785 22.89978 10.19711 42.16049 7.776393 -19.26071 
12.82394 
1 1 1 10  24  30 o 37.45826 6.236564  402.2653       102.0644 85.37334       
202.7804 509.7836       118.1168 26.54521 11.03403 48.37132 5.816273 -21.82610 
12.47313 
1 1 1 10  24  31 o 40.09715 6.127772  368.1624       91.75668 396.4431       
178.2220 357.9626       107.0319 39.93915 10.49242 40.25515 6.333050 
-0.3159981     12.25554 
1 1 1 10  24  32 o 63.70988 4.677839  960.4193       114.9977 742.2473       
190.4858 1085.535       144.2510 56.76847 7.992388 70.65131 4.863171 -13.88284 
9.355678 
1 1 1 10  24  33 o 30.66621 6.992494  234.2236       98.85474 219.8779       
179.1371 240.5051       118.5378 30.06124 10.94117 31.27118 8.710378 -1.209940 
13.98499 
1 1 1 10  24  34 o 37.47369 6.497019  379.8971       102.9118 255.9527       
182.4643 437.7182       124.6256 31.26568 11.07540 43.68170 6.795619 -12.41601 
12.99404 
1 1 1 10  24  35 o 49.73995 6.648170  656.7206       114.0248 570.2235       
229.4811 685.0769       131.3924 44.35116 12.02353 55.12875 5.676926 -10.77758 
13.29634 
1 1 1 10  24  36 o 52.62938 6.540984  666.5148       122.8422 826.4946       
248.1513 614.5856       141.3806 53.96329 11.31544 51.29546 6.564956 2.667831 
13.08197 
1 1 1 10  24  37 f 25.78133 7.408344  156.8912       111.1159 202.8485       
236.1436 143.8221       125.9280 27.52020 11.69553 24.04247 9.096637 3.477730 
14.81669 
1 1 1 10  24  38 o 18.78823 6.320290  -59.42011      118.8288 -13.90858      
236.5987 -74.77263      137.4173 21.37070 10.06674 16.20577 7.644932 5.164925 
12.64058 
1 1 1 10  25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  25  1  o 30.38846 5.685707  202.3055       69.85223 0.000000       
0.000000 202.3055       69.85223 ?        ?        30.38846 5.685707 ? ? 
1 1 1 10  25  2  o 166.5078 2.521806  5785.932       165.9369 6015.609       
290.9408 5675.199       202.0160 168.8209 4.104870 164.1947 2.930540 4.626190 
5.043612 
1 1 1 10  25  3  o 141.7450 2.405381  4225.781       139.5138 4261.824       
224.3584 4203.056       178.1447 142.1823 3.758528 141.3076 3.002815 0.8747101 
4.810762 
1 1 1 10  25  4  o 232.4831 3.446530  11366.96       323.7230 11632.14       
539.2531 11217.54       404.7742 234.3827 5.480095 230.5834 4.181248 3.799316 
6.893060 
1 1 1 10  25  5  o 60.41507 2.651788  754.0560       62.77690 811.2351       
112.7633 728.3753       75.57069 62.00228 4.331928 58.82786 3.059789 3.174419 
5.303575 
1 1 1 10  25  6  o 37.88936 3.757353  289.0484       56.47404 421.0223       
92.91035 211.7187       71.12023 44.63357 4.958194 31.14515 5.646869 13.48842 
7.514707 
1 1 1 10  25  7  o 95.17563 2.461737  1971.318       88.86579 1756.239       
161.0964 2065.392       106.5425 91.24780 4.205178 99.10345 2.560678 -7.855644 
4.923474 
1 1 1 10  25  8  o 49.72023 3.206866  514.6924       60.03723 538.0334       
114.8337 505.9125       70.42953 50.42598 5.424206 49.01449 3.422563 1.411491 
6.413731 
1 1 1 10  25  9  o 276.3073 6.838188  15827.26       492.5175 17225.05       
1517.198 15662.61       520.7178 280.2229 12.89614 272.3916 4.553338 7.831329 
13.67638 
1 1 1 10  25  10 o 144.4160 6.521775  4428.336       395.4214 0.000000       
0.000000 4428.336       395.4214 ?        ?        144.4160 6.521775 ? ? 
1 1 1 10  25  11 f 142.7371 4.347172  4425.968       246.7302 3970.042       
410.2397 4684.344       308.8275 136.5816 7.154292 148.8927 4.940418 -12.31108 
8.694345 
1 1 1 10  25  12 o 45.87799 5.486571  470.9768       88.13635 429.5164       
174.3309 485.2128       102.1532 43.84523 9.727185 47.91075 5.078554 -4.065525 
10.97314 
1 1 1 10  25  13 o 179.0634 5.178787  6792.769       352.2347 6913.241       
658.9526 6744.576       416.7743 179.6260 8.737879 178.5009 5.561368 1.125137 
10.35757 
1 1 1 10  25  14 o 97.02095 3.626637  2019.382       142.0341 1877.981       
231.0703 2105.252       180.0687 94.14770 5.845956 99.89421 4.293575 -5.746513 
7.253274 
1 1 1 10  25  15 o 169.7930 5.695827  6254.958       380.7431 5873.412       
653.9221 6450.645       468.3111 165.2660 9.424612 174.3200 6.398945 -9.053940 
11.39165 
1 1 1 10  25  16 f 159.4656 5.020683  5532.337       297.7186 5150.411       
563.0759 5680.542       350.7580 155.0239 8.651461 163.9074 5.097182 -8.883514 
10.04137 
1 1 1 10  25  17 o 120.8077 3.993616  3111.970       187.7631 3036.857       
333.4066 3146.857       227.2215 119.5224 6.644249 122.0930 4.432814 -2.570633 
7.987233 
1 1 1 10  25  18 o 234.1086 6.801237  11755.69       621.4657 12010.90       
1108.073 11638.57       750.6390 234.7963 11.24082 233.4209 7.659712 1.375351 
13.60247 
1 1 1 10  25  19 o 141.7958 4.689264  4280.210       261.6964 4278.932       
457.5895 4280.832       319.0167 141.4357 7.706160 142.1559 5.345267 
-0.7202148     9.378528 
1 1 1 10  25  20 o 23.84741 10.15725  9.001850       178.8146 9.001850       
178.8146 0.000000       0.000000 23.84741 10.15725 ?        ?        ? ? 
1 1 1 10  25  21 o 53.70815 6.698913  739.5624       124.4027 439.8635       
232.9343 859.1567       147.1452 43.81733 12.21198 63.59897 5.510829 -19.78165 
13.39783 
1 1 1 10  25  22 o 28.67792 5.938217  177.3766       70.12267 180.0145       
137.2087 176.4441       81.58147 29.21054 9.638463 28.14529 6.938999 1.065250 
11.87643 
1 1 1 10  25  23 f 25.51897 4.677237  143.5818       54.95754 223.5023       
76.82390 59.81303       78.65173 31.85759 5.964575 19.18035 7.206247 12.67724 
9.354473 
1 1 1 10  25  24 f 15.68965 4.766982  -3.021199      56.46277 -4.738551      
82.76981 -1.526442      77.21962 15.88277 6.841692 15.49653 6.639858 0.3862448 
9.533964 
1 1 1 10  25  25 o 84.77348 2.286236  1518.494       81.18311 1513.219       
118.7784 1523.119       111.2150 84.61671 3.343507 84.93024 3.119048 
-0.3135223     4.572472 
1 1 1 10  25  26 o 41.57150 3.474022  368.5197       60.59602 375.0740       
87.51177 362.4825       83.98823 41.91816 4.972620 41.22485 4.852666 0.6933136 
6.948045 
1 1 1 10  25  27 o 75.96034 2.302897  1216.096       73.27256 1299.466       
108.1820 1145.436       99.59576 78.34934 3.288826 73.57133 3.224433 4.778008 
4.605794 
1 1 1 10  25  28 o 64.21039 3.673256  889.7482       98.65456 823.1945       
141.6783 952.3929       137.4548 61.79042 5.461390 66.63036 4.913702 -4.839931 
7.346512 
1 1 1 10  25  29 f 31.59472 6.426889  234.8936       90.18639 210.3908       
129.7486 257.7983       125.4459 30.09312 9.319274 33.09631 8.852727 -3.003189 
12.85378 
1 1 1 10  25  30 o 89.10504 3.390568  1713.445       126.7967 1696.492       
176.7025 1731.439       182.0523 88.67561 4.746348 89.53448 4.843139 
-0.8588791     6.781137 
1 1 1 10  25  31 o 86.61486 3.246134  1616.116       117.8191 1745.845       
172.6458 1503.037       161.1867 89.86407 4.576053 83.36565 4.605354 6.498413 
6.492269 
1 1 1 10  25  32 o 76.39512 5.093830  1387.276       142.0006 1190.953       
265.8822 1465.620       167.9610 70.81909 8.942521 81.97115 4.880547 -11.15205 
10.18766 
1 1 1 10  25  33 o 29.89008 7.577589  210.8171       110.5147 249.0214       
218.5261 197.6881       128.1042 31.42632 11.95591 28.35383 9.313193 3.072491 
15.15518 
1 1 1 10  25  34 o 66.92871 5.844588  1160.811       126.1708 907.7072       
254.4240 1243.355       145.2952 58.57354 10.74732 75.28388 4.596956 -16.71034 
11.68918 
1 1 1 10  25  35 o 32.35599 7.116649  275.2603       100.6792 302.9542       
189.8622 264.4268       118.7499 32.60956 11.32226 32.10242 8.625156 0.5071449 
14.23330 
1 1 1 10  25  36 o 36.62733 6.352976  405.8911       103.3584 193.7555       
193.3197 490.8022       122.3070 27.39320 11.00412 45.86147 6.352206 -18.46827 
12.70595 
1 1 1 10  25  37 o 45.96828 6.310496  548.3156       103.7925 599.8710       
206.5084 530.8900       120.0587 44.42944 11.09305 47.50713 6.019436 -3.077686 
12.62099 
1 1 1 10  25  38 o 19.81294 6.438220  21.70662       118.0932 -116.0014      
241.7038 64.88793       135.3480 19.66591 9.515490 19.95997 8.675147 
-0.2940578     12.87644 
1 1 1 10  26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  26  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  26  2  o 101.1059 2.175817  2114.431       83.82589 2249.783       
157.8861 2061.301       98.91917 103.2364 3.642773 98.97545 2.380532 4.260994 
4.351635 
1 1 1 10  26  3  o 85.55456 2.297472  1547.590       69.62971 1533.755       
144.2231 1551.795       79.50999 85.21068 4.031455 85.89844 2.204741 
-0.6877594     4.594944 
1 1 1 10  26  4  o 163.7314 2.666465  5650.571       178.1761 5679.241       
288.2855 5632.849       226.6482 163.9708 4.187716 163.4921 3.301996 0.4787445 
5.332930 
1 1 1 10  26  5  o 54.28940 2.943354  635.9273       61.78449 586.2798       
109.3540 659.2071       74.88176 52.63456 4.948627 55.94425 3.188171 -3.309692 
5.886709 
1 1 1 10  26  6  o 67.22766 2.582855  919.2136       69.80057 1067.306       
120.6512 844.7112       85.57560 71.12305 4.040567 63.33226 3.218445 7.790794 
5.165711 
1 1 1 10  26  7  o 148.8889 2.841748  4675.826       175.3158 4678.571       
270.6637 4673.842       230.1112 148.8681 4.330615 148.9097 3.680747 
-0.4161072E-01 5.683496 
1 1 1 10  26  8  o 123.0919 3.049113  3229.492       143.2500 3121.878       
262.7083 3275.029       170.8911 121.4743 5.151224 124.7095 3.263933 -3.235138 
6.098226 
1 1 1 10  26  9  o 43.01602 4.412321  364.7058       74.71353 475.5468       
137.4236 318.1959       89.01917 47.26716 6.925051 38.76488 5.469733 8.502277 
8.824642 
1 1 1 10  26  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  26  11 o 135.3946 4.110353  3892.767       225.5223 3857.783       
369.9546 3913.456       284.4942 134.7361 6.540119 136.0532 4.980647 -1.317154 
8.220706 
1 1 1 10  26  12 o 122.8572 3.882175  3237.265       182.8947 3093.021       
331.5376 3300.366       219.2794 120.6410 6.545740 125.0734 4.175935 -4.432419 
7.764351 
1 1 1 10  26  13 o 76.23142 3.926313  1192.903       115.0460 1325.432       
215.4207 1140.021       136.0764 78.97684 6.496939 73.48600 4.410616 5.490845 
7.852627 
1 1 1 10  26  14 o 55.24543 4.496855  678.7726       98.22255 542.4196       
158.8639 763.1524       124.9719 50.41388 7.505788 60.07698 4.954792 -9.663105 
8.993710 
1 1 1 10  26  15 o 86.03430 3.824991  1565.463       132.2825 1574.927       
221.9468 1560.249       164.7401 86.12689 6.138060 85.94172 4.565793 0.1851730 
7.649983 
1 1 1 10  26  16 f 123.5395 3.676823  3259.564       187.3537 3063.528       
288.4879 3402.551       246.3824 120.1900 5.717161 126.8889 4.624951 -6.698929 
7.353645 
1 1 1 10  26  17 o 103.5631 4.455698  2298.449       180.2528 2232.670       
317.3340 2329.782       219.0157 102.2065 7.395357 104.9198 4.972091 -2.713280 
8.911397 
1 1 1 10  26  18 o 154.0602 5.290639  5086.307       318.8898 5069.019       
563.0533 5094.471       386.9273 153.3129 8.747659 154.8075 5.953310 -1.494537 
10.58128 
1 1 1 10  26  19 o 102.5892 4.176052  2170.269       160.2428 2392.482       
313.3025 2091.546       186.4796 105.7435 7.057177 99.43484 4.466977 6.308708 
8.352103 
1 1 1 10  26  20 o 132.5638 5.161578  3654.276       250.9976 4019.426       
504.9143 3534.424       289.2717 136.1458 8.833534 128.9819 5.341930 7.163895 
10.32316 
1 1 1 10  26  21 o 97.35958 4.891659  2011.962       199.9465 0.000000       
0.000000 2011.962       199.9465 ?        ?        97.35958 4.891659 ? ? 
1 1 1 10  26  22 o 182.0009 6.817867  7119.009       520.9559 7119.009       
520.9559 0.000000       0.000000 182.0009 6.817867 ?        ?        ? ? 
1 1 1 10  26  23 o 58.55627 4.066543  732.3677       99.90623 713.4779       
138.2628 753.0066       144.5224 57.77633 5.700023 59.33620 5.801449 -1.559879 
8.133085 
1 1 1 10  26  24 o 51.17388 2.985285  555.4610       64.07625 590.0589       
91.72729 522.4882       89.54703 52.73967 4.142688 49.60810 4.299517 3.131573 
5.970570 
1 1 1 10  26  25 o 64.59041 2.542669  883.8801       68.62434 774.8251       
95.71601 999.2313       98.44025 60.46067 3.770793 68.72015 3.412005 -8.259472 
5.085338 
1 1 1 10  26  26 o 25.69202 5.059564  148.5929       56.83154 131.2176       
81.29702 165.1993       79.47772 24.34199 7.344697 27.04206 6.960758 -2.700075 
10.11913 
1 1 1 10  26  27 o 41.30937 3.329465  364.4180       57.59753 329.8451       
79.55152 402.5104       83.50244 39.23415 4.829535 43.38459 4.584423 -4.150444 
6.658929 
1 1 1 10  26  28 o 20.32475 6.051994  25.44953       88.06528 41.26541       
127.0428 10.81992       122.1854 21.11293 8.752179 19.53658 8.360975 1.576349 
12.10399 
1 1 1 10  26  29 o 63.25740 3.859730  868.5584       102.4130 896.9440       
148.7379 842.9692       141.2220 64.21549 5.516998 62.29931 5.399333 1.916180 
7.719460 
1 1 1 10  26  30 o 62.70821 3.539583  849.2784       92.91772 796.5240       
125.7026 912.8250       137.9624 60.59912 4.940820 64.81731 5.069800 -4.218197 
7.079165 
1 1 1 10  26  31 o 47.82093 5.185611  529.6399       100.3275 604.7680       
140.2022 450.7943       143.6290 52.02649 6.418762 43.61536 8.146272 8.411129 
10.37122 
1 1 1 10  26  32 o 51.33286 4.667271  596.1775       100.4868 588.1246       
144.6221 603.6942       139.7240 50.90336 6.767205 51.76236 6.429512 
-0.8590050     9.334542 
1 1 1 10  26  33 o 28.63662 6.361062  204.3970       85.51584 183.9967       
121.2287 224.6025       120.6487 27.35713 9.059822 29.91611 8.931521 -2.558983 
12.72212 
1 1 1 10  26  34 o 27.15002 7.023706  186.2854       113.5200 -18.23228      
228.8729 253.0156       130.7345 23.08405 10.53437 31.21600 9.292833 -8.131952 
14.04741 
1 1 1 10  26  35 o 25.39214 7.232053  130.7733       99.50153 190.2001       
227.2502 116.6783       110.6743 28.02854 11.66761 22.75574 8.548528 5.272802 
14.46411 
1 1 1 10  26  36 o 49.95887 5.879899  611.0483       108.5479 693.7904       
203.7176 578.2428       128.2740 50.14951 10.03015 49.76822 6.139140 0.3812904 
11.75980 
1 1 1 10  26  37 o 19.45292 6.270388  10.21223       110.6389 -39.62466      
192.0002 34.98780       135.3749 19.64409 9.209483 19.26175 8.512138 0.3823357 
12.54078 
1 1 1 10  26  38 o 33.94509 7.871017  269.3869       123.3730 797.5206       
257.5630 112.1293       140.5456 46.16582 12.83316 21.72436 9.117106 24.44146 
15.74203 
1 1 1 10  27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  27  2  o 22.58344 4.132763  120.4660       39.79099 64.90173       
74.37719 142.7462       47.09780 19.21943 7.044644 25.94745 4.323415 -6.728027 
8.265527 
1 1 1 10  27  3  o 36.03741 3.638666  303.6456       47.76474 221.1091       
81.96281 346.0907       58.77699 31.59077 6.403180 40.48404 3.458156 -8.893269 
7.277331 
1 1 1 10  27  4  o 124.3271 2.252827  3213.530       103.0794 3356.800       
204.4042 3164.669       119.3694 126.0227 3.863334 122.6315 2.318526 3.391167 
4.505654 
1 1 1 10  27  5  o 52.62500 2.935730  589.7033       60.11026 574.7117       
106.7740 596.6591       72.73051 52.05749 4.885437 53.19251 3.256771 -1.135025 
5.871461 
1 1 1 10  27  6  o 74.86409 2.507960  1195.908       75.30811 1135.744       
125.0879 1230.113       94.31613 73.31113 4.064119 76.41705 2.939793 -3.105919 
5.015920 
1 1 1 10  27  7  o 40.18397 4.205591  377.8715       62.02182 272.8391       
105.1685 433.8800       76.79819 35.04646 7.379528 45.32148 4.036156 -10.27502 
8.411182 
1 1 1 10  27  8  o 81.89476 2.594567  1424.510       84.06281 1385.630       
144.6304 1444.345       103.3039 80.97540 4.254296 82.81413 2.971209 -1.838730 
5.189135 
1 1 1 10  27  9  o 89.13498 3.371543  1707.948       122.8011 1552.904       
192.3322 1814.653       159.5575 85.57204 5.353542 92.69791 4.099854 -7.125870 
6.743086 
1 1 1 10  27  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  27  11 o 121.6383 3.491275  3163.221       171.1165 3017.844       
281.5844 3248.342       215.4652 119.2485 5.624404 124.0281 4.137883 -4.779518 
6.982549 
1 1 1 10  27  12 f 50.80278 4.751927  549.3544       92.08149 552.4794       
170.5234 548.0682       109.4034 50.74024 8.004837 50.86532 5.123068 
-0.1250763     9.503854 
1 1 1 10  27  13 o 29.22852 6.665462  184.4944       91.28625 132.0054       
163.4387 208.2932       110.0523 27.83564 10.40183 30.62139 8.337590 -2.785753 
13.33092 
1 1 1 10  27  14 o 85.28671 3.966080  1572.395       129.6549 1473.323       
233.8489 1616.367       155.7932 83.10695 6.702227 87.46646 4.242561 -4.359512 
7.932160 
1 1 1 10  27  15 o 59.41868 4.282090  748.0982       101.5798 761.5936       
173.4001 741.0472       125.3380 59.70259 6.917948 59.13477 5.048483 0.5678253 
8.564180 
1 1 1 10  27  16 o 110.0975 4.099267  2581.856       175.2928 2566.586       
313.7351 2588.786       211.3616 109.5881 6.819002 110.6068 4.551613 -1.018707 
8.198535 
1 1 1 10  27  17 o 64.81905 4.499939  953.5942       113.3973 715.8687       
185.2211 1096.121       143.4171 57.70916 7.644811 71.92895 4.749175 -14.21979 
8.999878 
1 1 1 10  27  18 o 49.43876 5.834895  476.0539       110.1640 698.7863       
211.5997 393.2339       129.0300 56.72654 8.884845 42.15097 7.565945 14.57557 
11.66979 
1 1 1 10  27  19 o 53.64157 5.140802  613.2192       111.9379 641.7798       
185.1149 596.7560       140.5447 54.46095 8.096127 52.82219 6.337518 1.638767 
10.28160 
1 1 1 10  27  20 o 28.35352 7.145262  159.6523       104.9097 112.3604       
183.8272 182.4947       127.7579 27.67190 10.86065 29.03514 9.287910 -1.363237 
14.29052 
1 1 1 10  27  21 o 69.00972 3.616788  1016.648       104.4755 1091.421       
146.4977 939.2604       149.0363 71.64407 4.870479 66.37538 5.348183 5.268684 
7.233576 
1 1 1 10  27  22 o 70.13219 3.538979  1051.794       103.6644 997.3397       
152.0266 1099.116       141.7223 68.36797 5.296488 71.89641 4.695179 -3.528442 
7.077958 
1 1 1 10  27  23 o 25.01658 9.201345  115.2663       126.9839 0.000000       
0.000000 115.2663       126.9839 ?        ?        25.01658 9.201345 ? ? 
1 1 1 10  27  24 o 115.7436 4.613035  2939.076       203.3494 3003.194       
243.1332 2789.813       370.9638 118.6174 4.882216 112.8698 7.828431 5.747574 
9.226070 
1 1 1 10  27  25 o 43.36552 5.512427  421.2855       95.52632 252.5196       
129.4157 623.3065       141.5934 33.06861 9.058052 53.66243 6.284832 -20.59382 
11.02485 
1 1 1 10  27  26 o 68.32147 2.537433  993.3371       72.60374 1060.638       
101.9162 923.9877       103.4555 70.70938 3.433106 65.93357 3.737386 4.775810 
5.074867 
1 1 1 10  27  27 o 117.2284 2.429856  2937.126       117.9773 2803.091       
179.9384 3038.191       156.2486 114.7415 3.735289 119.7153 3.108764 -4.973732 
4.859712 
1 1 1 10  27  28 o 89.03828 3.299573  1705.097       123.2865 1654.916       
171.2645 1759.069       177.6158 87.68647 4.652174 90.39009 4.680387 -2.703621 
6.599147 
1 1 1 10  27  29 o 23.26444 6.744443  70.10764       106.2586 -70.52677      
201.4915 124.2870       125.0628 21.80347 9.932242 24.72541 9.126916 -2.921940 
13.48889 
1 1 1 10  27  30 o 46.50574 5.090494  489.5683       99.24965 522.0509       
141.3602 457.9889       139.3812 48.12066 6.997075 44.89081 7.395502 3.229847 
10.18099 
1 1 1 10  27  31 o 70.57044 3.730265  1095.774       110.3975 1038.546       
156.0869 1153.059       156.1644 68.63874 5.416492 72.50214 5.130412 -3.863403 
7.460531 
1 1 1 10  27  32 o 78.49553 3.645799  1359.120       120.1175 1384.118       
172.2641 1335.463       167.5765 79.17827 5.182147 77.81279 5.129597 1.365479 
7.291599 
1 1 1 10  27  33 o 74.63922 3.919920  1247.745       122.6553 1168.256       
172.6791 1328.690       174.2531 72.10183 5.704460 77.17661 5.377940 -5.074776 
7.839840 
1 1 1 10  27  34 o 19.33854 6.006877  12.24415       94.65643 -19.83123      
137.9801 40.75891       130.0964 18.53408 8.363845 20.14301 8.624175 -1.608925 
12.01375 
1 1 1 10  27  35 o 25.59420 6.531881  166.2463       91.30420 198.7022       
124.9983 129.1218       133.6864 27.42267 9.199600 23.76573 9.275194 3.656944 
13.06376 
1 1 1 10  27  36 o 32.12503 7.227768  267.9424       102.3769 433.2754       
190.9038 201.1996       121.2934 37.18110 11.26225 27.06898 9.062240 10.11212 
14.45554 
1 1 1 10  27  37 o 22.84033 7.039769  117.1346       121.1866 76.96571       
237.3090 131.3056       140.9512 22.94260 10.57534 22.73806 9.294918 0.2045403 
14.07954 
1 1 1 10  28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  28  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  28  3  o 34.73384 4.099365  338.6694       49.05537 114.8764       
85.11156 449.9949       60.02920 23.30257 7.591212 46.16512 3.097203 -22.86255 
8.198730 
1 1 1 10  28  4  o 48.73944 2.867304  510.0907       55.30613 482.4999       
94.32261 524.5467       68.27434 47.64174 4.715733 49.83714 3.263063 -2.195393 
5.734607 
1 1 1 10  28  5  o 70.59322 2.477932  1037.717       66.13827 1088.561       
125.7353 1018.267       77.76607 71.67262 4.178543 69.51380 2.664650 2.158821 
4.955863 
1 1 1 10  28  6  o 93.67820 2.481945  1886.112       94.90833 1699.832       
148.6612 2014.272       123.3075 89.62686 3.950759 97.72954 3.005279 -8.102676 
4.963890 
1 1 1 10  28  7  o 78.05237 2.593879  1266.334       78.68273 1342.807       
143.0067 1233.134       94.22734 79.62226 4.278021 76.48248 2.934513 3.139786 
5.187757 
1 1 1 10  28  8  o 203.1784 3.614839  8750.323       296.2218 8854.856       
493.8485 8691.577       370.2159 203.7822 5.772295 202.5745 4.353028 1.207764 
7.229677 
1 1 1 10  28  9  o 27.85956 5.958066  176.1296       75.77493 110.1300       
134.6421 206.7237       91.67046 25.30010 9.443730 30.41901 7.267059 -5.118908 
11.91613 
1 1 1 10  28  10 o 76.01059 4.077293  1227.203       125.9720 1216.182       
159.0778 1245.738       206.2868 75.69179 5.005896 76.32938 6.437256 
-0.6375961     8.154586 
1 1 1 10  28  11 o 101.3871 3.360532  2201.547       132.6359 2118.874       
234.5078 2240.434       160.8323 99.77901 5.598080 102.9952 3.719437 -3.216202 
6.721065 
1 1 1 10  28  12 o 33.42791 5.973425  271.0954       85.98177 134.8251       
156.1202 330.4233       103.0121 27.51746 10.18940 39.33836 6.237249 -11.82090 
11.94685 
1 1 1 10  28  13 o 21.07550 6.285032  17.46549       86.90072 38.77411       
163.1357 9.023500       102.6818 23.81529 9.897902 18.33571 7.748422 5.479582 
12.57006 
1 1 1 10  28  14 o 61.91157 4.292518  790.3262       101.8370 886.6180       
191.9447 752.6025       120.1402 64.25695 7.115036 59.56619 4.804071 4.690758 
8.585036 
1 1 1 10  28  15 o 134.8124 4.499998  3970.641       232.3506 3674.337       
417.6584 4103.445       279.6137 130.5506 7.620146 139.0741 4.788872 -8.523468 
8.999996 
1 1 1 10  28  16 o 37.32340 6.302364  316.3424       91.84402 302.6482       
166.9549 322.2849       109.9809 36.50923 10.39213 38.13757 7.133219 -1.628338 
12.60473 
1 1 1 10  28  17 f 28.08248 6.326209  177.0668       90.54501 23.22370       
166.3008 241.8883       107.9480 23.37215 9.868006 32.79281 7.918721 -9.420662 
12.65242 
1 1 1 10  28  18 o 169.2326 4.354535  6157.867       306.0606 5943.566       
463.4026 6323.675       407.6146 166.3423 6.635547 172.1228 5.640692 -5.780472 
8.709069 
1 1 1 10  28  19 o 50.58204 5.556570  562.9976       106.4405 563.3351       
188.9007 562.8406       128.8416 49.89116 9.363629 51.27291 5.985343 -1.381748 
11.11314 
1 1 1 10  28  20 o 129.8254 3.300613  3575.495       179.3981 3685.132       
265.3456 3483.185       243.4771 131.6064 4.802372 128.0443 4.529173 3.562134 
6.601227 
1 1 1 10  28  21 o 49.55540 4.683576  524.8759       96.83350 614.4652       
144.1025 451.1145       130.7549 53.41520 6.425810 45.69562 6.815607 7.719578 
9.367152 
1 1 1 10  28  22 o 65.50067 3.834520  914.8892       105.1787 831.1688       
144.0876 1010.383       153.8856 62.28514 5.510147 68.71619 5.334084 -6.431049 
7.669039 
1 1 1 10  28  23 o 78.65279 4.660071  1263.428       132.8943 1498.873       
276.3139 1192.576       151.5768 82.57647 7.970170 74.72910 4.831299 7.847366 
9.320142 
1 1 1 10  28  24 o 54.11606 4.277226  633.6974       97.07413 622.1603       
139.7209 644.4631       134.9695 53.59708 6.209280 54.63504 5.884173 -1.037968 
8.554452 
1 1 1 10  28  25 o 31.28701 11.74879  197.8709       209.0097 0.000000       
0.000000 197.8709       209.0097 ?        ?        31.28701 11.74879 ? ? 
1 1 1 10  28  26 f 32.60543 6.318676  249.8284       89.96320 207.2846       
127.3598 292.1954       127.0949 29.90950 9.227171 35.30136 8.634930 -5.391867 
12.63735 
1 1 1 10  28  27 o 40.91888 5.413620  384.2955       90.43078 342.7170       
131.5180 421.5811       124.5437 38.19399 8.427884 43.64378 6.797050 -5.449783 
10.82724 
1 1 1 10  28  28 o 40.13990 5.565812  375.0538       91.59769 315.1767       
131.5292 431.4385       127.6359 36.30993 8.723967 43.96988 6.914147 -7.659950 
11.13162 
1 1 1 10  28  29 o 40.77413 5.632245  397.9023       93.44592 265.9897       
133.1766 525.8340       131.1517 32.97330 9.248255 48.57496 6.431059 -15.60166 
11.26449 
1 1 1 10  28  30 o 39.51228 5.570598  375.3833       88.66769 324.9473       
138.3490 410.5410       115.5090 36.25504 9.096418 42.76952 6.432838 -6.514484 
11.14120 
1 1 1 10  28  31 o 24.40780 6.346244  119.6183       91.52744 28.88698       
133.5067 200.0776       125.7224 20.31934 8.719288 28.49626 9.223516 -8.176916 
12.69249 
1 1 1 10  28  32 o 37.29007 6.036105  348.9527       91.77827 327.1225       
141.2205 364.9147       120.7569 35.69246 9.322935 38.88768 7.669494 -3.195217 
12.07221 
1 1 1 10  28  33 o 50.21368 4.989474  591.2985       105.1080 609.8560       
147.9018 572.3630       149.3997 51.13239 6.889671 49.29498 7.218853 1.837406 
9.978949 
1 1 1 10  28  34 o 24.74610 6.535049  147.8010       92.11973 171.2009       
123.4130 118.3598       138.4304 25.95766 9.117279 23.53453 9.364971 2.423138 
13.07010 
1 1 1 10  28  35 o 23.23452 6.363006  94.92622       97.41199 230.0379       
142.3389 -24.10230      133.5988 28.68371 9.816998 17.78533 8.098020 10.89838 
12.72601 
1 1 1 10  28  36 f 17.60102 5.431244  -11.55019      82.15540 105.1598       
117.6699 -122.5503      114.7554 21.43132 8.595143 13.77072 6.642075 7.660601 
10.86249 
1 1 1 10  28  37 o 20.38129 6.692332  16.66593       118.4450 103.5129       
241.6592 -10.79399      135.8863 23.23452 10.69492 17.52806 8.047853 5.706459 
13.38466 
1 1 1 10  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  29  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  29  3  f 18.27917 4.600505  64.99400       42.55696 34.30653       
82.76544 76.02351       49.61882 17.80224 7.179903 18.75611 5.753919 
-0.9538651     9.201010 
1 1 1 10  29  4  o 101.6211 2.444051  2219.398       97.16576 2091.727       
169.2933 2282.116       118.6553 99.24625 4.063000 103.9959 2.717642 -4.749603 
4.888102 
1 1 1 10  29  5  o 39.09884 3.488828  305.8734       55.40836 417.8276       
93.73641 245.7469       68.69438 44.24263 5.046479 33.95505 4.818789 10.28757 
6.977655 
1 1 1 10  29  6  o 44.48000 3.259297  430.9437       56.30797 393.1601       
98.43555 449.3202       68.64871 42.87668 5.468295 46.08332 3.548213 -3.206638 
6.518594 
1 1 1 10  29  7  o 39.00295 4.173952  367.8735       55.59761 260.1063       
105.0050 409.8546       65.53809 33.98577 7.557244 44.02013 3.546203 -10.03436 
8.347903 
1 1 1 10  29  8  o 68.27715 2.833825  1011.142       76.44109 914.9133       
129.1391 1063.043       94.84115 65.60058 4.688904 70.95373 3.183777 -5.353149 
5.667650 
1 1 1 10  29  9  f 48.90895 4.296326  512.1137       78.80046 513.6337       
149.8181 511.5324       92.65186 48.73310 7.322531 49.08480 4.496019 
-0.3516998     8.592651 
1 1 1 10  29  10 o 99.55995 4.192157  2121.511       175.2117 2104.144       
248.7319 2138.616       246.8524 99.14021 5.975891 99.97968 5.880940 
-0.8394699     8.384315 
1 1 1 10  29  11 o 90.92126 3.565012  1727.434       127.3836 1851.062       
227.1189 1670.696       153.8625 93.04472 5.814101 88.79782 4.127163 4.246895 
7.130024 
1 1 1 10  29  12 o 103.0103 3.213291  2248.390       131.8515 2265.984       
225.6191 2239.265       162.4855 103.1348 5.210647 102.8858 3.761665 0.2490158 
6.426582 
1 1 1 10  29  13 o 37.32686 6.021425  305.1136       87.61824 345.4981       
155.2205 286.2283       106.1461 38.86088 9.565603 35.79284 7.316385 3.068047 
12.04285 
1 1 1 10  29  14 o 62.34345 4.139089  827.5421       101.3745 842.2424       
178.5839 820.5530       123.1372 62.54723 6.800726 62.13967 4.719995 0.4075623 
8.278177 
1 1 1 10  29  15 o 63.58982 4.357845  864.7571       103.6110 871.6721       
198.1624 862.1553       121.5493 63.46123 7.437616 63.71841 4.543688 
-0.2571869     8.715690 
1 1 1 10  29  16 o 164.5921 4.629055  5798.838       278.8905 5884.330       
551.7380 5769.497       323.2238 164.4314 7.992251 164.7527 4.672956 
-0.3213043     9.258110 
1 1 1 10  29  17 o 105.5841 3.923908  2394.389       163.0135 2349.491       
283.6702 2416.526       199.1872 104.5017 6.465638 106.6666 4.447893 -2.164841 
7.847816 
1 1 1 10  29  18 o 133.7359 4.446217  3879.980       215.1447 3777.732       
428.4217 3914.460       248.7902 131.7168 7.747317 135.7551 4.365141 -4.038254 
8.892434 
1 1 1 10  29  19 o 91.30553 3.938443  1835.972       143.6333 1602.174       
234.1189 1977.085       181.8855 86.19530 6.469548 96.41577 4.493360 -10.22047 
7.876886 
1 1 1 10  29  20 o 48.17886 4.451994  499.9816       89.59132 494.3337       
120.4945 506.9643       133.9780 47.93652 5.987170 48.42120 6.590508 
-0.4846802     8.903988 
1 1 1 10  29  21 o 98.67865 3.348736  2080.551       138.1935 2047.497       
203.6830 2108.746       188.1144 97.87448 4.956857 99.48283 4.503965 -1.608345 
6.697472 
1 1 1 10  29  22 o 54.55895 5.195740  588.7025       106.2413 800.6714       
215.0705 520.2817       122.1908 60.02345 8.534555 49.09446 5.928256 10.92899 
10.39148 
1 1 1 10  29  23 o 78.06528 3.374892  1304.954       110.0230 1306.056       
164.2226 1304.056       148.2001 78.01533 5.013882 78.11523 4.518913 
-0.9989929E-01 6.749784 
1 1 1 10  29  24 f 106.6275 3.174988  2422.166       140.7836 2515.725       
216.0658 2353.141       185.5879 108.2843 4.752711 104.9707 4.211166 3.313576 
6.349975 
1 1 1 10  29  25 o 116.5542 3.349076  2904.175       163.2406 3110.906       
244.3922 2737.643       219.3475 120.2146 4.842292 112.8937 4.627899 7.320915 
6.698153 
1 1 1 10  29  26 o 20.44350 6.045310  33.96417       86.86510 50.59980       
126.5216 19.13053       119.4728 21.33285 8.777678 19.55415 8.314775 1.778700 
12.09062 
1 1 1 10  29  27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  29  28 o 79.64670 3.602822  1390.052       119.7546 1300.035       
175.2363 1468.929       164.0353 77.01986 5.419290 82.27353 4.748958 -5.253670 
7.205644 
1 1 1 10  29  29 o 74.55408 3.658073  1221.812       113.6546 1048.537       
159.4657 1400.701       162.0287 68.95464 5.508393 80.15352 4.814936 -11.19888 
7.316147 
1 1 1 10  29  30 o 16.87442 5.537319  -78.57626      93.16970 -82.55803      
142.0929 -75.57324      123.3995 17.45198 8.097203 16.29686 7.555323 1.155121 
11.07464 
1 1 1 10  29  31 o 39.45749 5.977987  386.2095       96.01959 361.1808       
140.0333 408.4202       131.9145 37.86284 8.941351 41.05213 7.937101 -3.189289 
11.95597 
1 1 1 10  29  32 o 60.13515 4.280918  823.8157       107.8457 798.1931       
155.8870 847.3364       149.3562 59.05448 6.287502 61.21583 5.811399 -2.161350 
8.561836 
1 1 1 10  29  33 o 27.36176 7.446544  186.0217       113.1326 180.8402       
222.2672 187.8335       131.4317 27.71802 11.53870 27.00549 9.416075 0.7125340 
14.89309 
1 1 1 10  29  34 o 52.84313 4.596719  658.6278       101.6406 630.2999       
147.2492 684.4084       140.4730 51.47346 6.813819 54.21280 6.171805 -2.739334 
9.193439 
1 1 1 10  29  35 o 27.65435 6.736249  215.8340       98.51337 145.0250       
141.4912 282.4554       137.2437 23.98281 9.491629 31.32590 9.561234 -7.343084 
13.47250 
1 1 1 10  29  36 o 32.21769 6.834329  313.4702       102.0587 401.9186       
150.4248 238.0278       138.9256 36.62263 9.647977 27.81275 9.682395 8.809881 
13.66866 
1 1 1 10  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  30  3  o 40.81222 3.595415  358.8420       58.18911 357.2235       
100.0214 359.6701       71.54200 40.57510 5.871574 41.04933 4.151223 
-0.4742279     7.190830 
1 1 1 10  30  4  o 52.60202 3.218789  586.7350       67.29744 607.1893       
116.3427 576.4496       82.50028 53.13436 5.215363 52.06968 3.773910 1.064678 
6.437578 
1 1 1 10  30  5  f 20.53793 5.183239  82.66895       52.37465 55.34335       
106.1351 91.46510       60.21723 20.56817 8.195239 20.50769 6.348378 
0.6047821E-01  10.36648 
1 1 1 10  30  6  o 26.85483 4.911916  156.1479       54.30279 193.5645       
90.41611 135.0367       67.91592 29.19068 7.371638 24.51897 6.493583 4.671709 
9.823832 
1 1 1 10  30  7  o 39.59362 4.001932  355.7041       57.88394 307.1832       
104.4489 377.2111       69.53911 37.03884 6.972705 42.14840 3.929788 -5.109558 
8.003864 
1 1 1 10  30  8  o 94.74152 2.448650  1851.524       86.43835 2007.283       
169.5095 1796.789       100.4846 97.18758 4.154361 92.29544 2.593227 4.892143 
4.897299 
1 1 1 10  30  9  o 112.5242 3.372971  2775.651       147.3195 2490.269       
256.4706 2916.179       179.9724 107.7250 5.670769 117.3234 3.653781 -9.598358 
6.745942 
1 1 1 10  30  10 o 74.41808 3.171602  1170.145       91.43385 1199.721       
165.6804 1157.192       109.6420 74.90009 5.268777 73.93605 3.532171 0.9640427 
6.343204 
1 1 1 10  30  11 o 49.67059 4.415694  558.8616       85.07085 449.3739       
142.8608 619.0164       105.8925 45.42857 7.490403 53.91261 4.678385 -8.484047 
8.831388 
1 1 1 10  30  12 o 64.87248 3.755018  839.6650       93.80318 1053.947       
179.0758 758.6359       110.1196 70.00671 6.092818 59.73825 4.390694 10.26846 
7.510035 
1 1 1 10  30  13 o 66.72147 3.763129  910.0754       97.02998 1060.204       
181.5573 850.0524       114.7996 70.19563 6.160623 63.24732 4.323340 6.948315 
7.526257 
1 1 1 10  30  14 o 61.36260 4.307438  857.3435       101.3692 678.5745       
172.8779 951.0143       125.1398 55.85661 7.372011 66.86859 4.457529 -11.01199 
8.614877 
1 1 1 10  30  15 o 59.17939 4.311361  735.4579       96.64528 796.4314       
184.0987 712.2617       113.5502 60.53386 7.243918 57.82493 4.677283 2.708931 
8.622722 
1 1 1 10  30  16 o 56.65327 4.485503  679.5443       101.7516 735.7681       
174.8790 650.7687       125.1091 58.18176 7.159321 55.12478 5.405838 3.056980 
8.971006 
1 1 1 10  30  17 o 41.94136 6.226408  418.2975       95.14358 348.2819       
187.2590 442.6616       110.4642 38.50373 11.02063 45.37899 5.798129 -6.875263 
12.45282 
1 1 1 10  30  18 o 61.45372 4.969138  857.0921       111.6922 745.1471       
211.4735 900.4009       131.5351 57.97434 8.688428 64.93310 4.824994 -6.958759 
9.938276 
1 1 1 10  30  19 o 47.63459 4.132781  488.2278       82.54225 524.4144       
119.2340 454.9264       114.3819 49.34545 5.755382 45.92373 5.932545 3.421719 
8.265561 
1 1 1 10  30  20 f 82.10710 3.199312  1434.361       109.9344 1282.840       
151.1133 1604.713       160.2282 77.47932 4.645557 86.73489 4.400136 -9.255562 
6.398625 
1 1 1 10  30  21 o 76.55159 3.306369  1259.732       105.7723 1343.590       
146.2957 1167.886       153.1057 79.31901 4.393145 73.78417 4.942528 5.534836 
6.612738 
1 1 1 10  30  22 o 49.17679 4.404728  522.7715       90.58060 469.1058       
122.3984 587.7484       134.6813 46.39196 6.284261 51.96163 6.173702 -5.569672 
8.809457 
1 1 1 10  30  23 o 38.55716 5.716694  343.1678       89.71625 403.7017       
130.2055 288.4496       123.7931 42.01297 7.666250 35.10136 8.482393 6.911610 
11.43339 
1 1 1 10  30  24 o 110.8539 3.501088  2651.897       162.1422 2642.492       
218.6772 2663.382       241.6471 110.7863 4.701520 110.9214 5.189044 
-0.1350708     7.002175 
1 1 1 10  30  25 o 104.9701 3.524569  2375.673       154.9891 2554.269       
228.3913 2223.221       211.0139 108.5953 5.009448 101.3449 4.959413 7.250336 
7.049138 
1 1 1 10  30  26 o 58.65651 4.370249  773.5217       105.3431 672.7975       
158.8039 852.6740       140.7753 54.82217 6.899632 62.49084 5.365760 -7.668671 
8.740498 
1 1 1 10  30  27 o 47.16289 4.894702  496.3277       96.02874 538.2369       
148.1147 465.9365       126.1295 48.70977 7.242743 45.61602 6.585978 3.093750 
9.789404 
1 1 1 10  30  28 o 38.00316 6.037690  354.7184       93.71710 317.6525       
141.0081 384.0457       125.4278 35.70475 9.311179 40.30156 7.688743 -4.596809 
12.07538 
1 1 1 10  30  29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  30  30 f 68.56245 3.828186  1044.787       109.0180 1055.176       
166.8256 1037.044       144.0246 68.57668 5.794385 68.54823 5.004511 
0.2845001E-01  7.656372 
1 1 1 10  30  31 o 19.58206 5.959366  8.468916       91.73945 93.23885       
134.5703 -65.13385      125.3936 22.64253 9.145647 16.52159 7.642860 6.120943 
11.91873 
1 1 1 10  30  32 o 20.99713 6.319123  50.21238       99.58378 -1.118122      
148.6338 92.02240       134.1437 19.64861 8.780523 22.34565 9.089975 -2.697035 
12.63825 
1 1 1 10  30  33 o 29.07139 6.641335  221.4871       95.59708 308.9927       
140.4623 145.9788       130.4785 33.63108 9.518964 24.51170 9.263834 9.119375 
13.28267 
1 1 1 10  30  34 o 21.92942 6.191444  80.24094       88.72644 190.9521       
139.1765 4.438128       115.1630 26.37801 9.639679 17.48083 7.772548 8.897175 
12.38289 
1 1 1 10  30  35 o 45.26398 5.694777  543.3303       104.9068 515.3003       
154.5471 567.2818       142.8620 43.08947 8.846949 47.43848 7.173104 -4.349010 
11.38955 
1 1 1 10  30  36 o 32.40100 6.940511  325.6370       102.6790 379.8842       
152.4655 280.6131       138.9007 34.85207 9.934308 29.94993 9.694963 4.902140 
13.88102 
1 1 1 10  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  31  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  31  4  o 96.74891 2.959605  1990.258       110.5883 2041.925       
201.3344 1967.935       132.3396 97.26943 4.930178 96.22839 3.275727 1.041046 
5.919209 
1 1 1 10  31  5  o 30.45134 4.838006  240.1653       65.39304 69.28128       
107.9491 339.2252       82.18974 21.22075 8.323872 39.68194 4.933393 -18.46120 
9.676012 
1 1 1 10  31  6  o 29.91500 5.258912  184.2744       63.90532 291.3911       
111.8290 132.3316       77.87322 35.58495 7.702894 24.24505 7.161706 11.33990 
10.51782 
1 1 1 10  31  7  o 26.41278 4.914886  130.8608       55.44247 259.6479       
98.66759 71.43283       67.02448 33.75893 7.177041 19.06663 6.716733 14.69230 
9.829772 
1 1 1 10  31  8  o 57.68409 3.134370  725.8151       69.21522 673.6003       
124.6388 749.0975       83.22813 55.93212 5.307781 59.43606 3.335348 -3.503944 
6.268739 
1 1 1 10  31  9  f 10.95428 5.320549  -129.4237      77.26587 0.000000       
0.000000 -129.4237      77.26587 ?        ?        10.95428 5.320549 ? ? 
1 1 1 10  31  10 o 31.12181 5.540286  240.6975       75.81179 111.0239       
134.4443 301.1534       91.79851 24.90765 9.406480 37.33596 5.856381 -12.42831 
11.08057 
1 1 1 10  31  11 o 50.18455 4.146398  546.2229       80.10631 537.2537       
144.9219 550.1689       96.12636 49.60181 6.959173 50.76728 4.510032 -1.165478 
8.292796 
1 1 1 10  31  12 o 98.84355 3.468550  2163.964       136.8480 1820.684       
220.6096 2378.676       174.4729 91.90572 5.717456 105.7814 3.928619 -13.87566 
6.937100 
1 1 1 10  31  13 o 44.14665 4.757427  388.7173       82.49877 530.1644       
153.0544 330.7919       97.94517 49.16156 7.415511 39.13174 5.961766 10.02982 
9.514854 
1 1 1 10  31  14 o 59.81772 4.256124  805.1985       97.93737 686.9069       
170.1499 863.8073       119.7666 56.01096 7.235685 63.62448 4.483660 -7.613522 
8.512247 
1 1 1 10  31  15 o 53.80773 4.274762  571.6416       87.85587 763.5042       
171.7623 503.6585       102.2430 59.14020 6.917772 48.47526 5.023823 10.66494 
8.549524 
1 1 1 10  31  16 o 47.22401 5.768315  544.5647       99.16486 400.2203       
175.7039 612.0342       120.1254 41.10301 10.21395 53.34501 5.363672 -12.24200 
11.53663 
1 1 1 10  31  17 o 36.89321 6.175263  307.2804       91.97431 356.2101       
151.0617 278.4574       115.9413 38.99693 9.336560 34.78949 8.084810 4.207443 
12.35053 
1 1 1 10  31  18 o 106.9309 3.551761  2397.488       151.7730 2646.850       
263.1108 2273.137       185.8012 110.6697 5.662796 103.1920 4.288680 7.477760 
7.103523 
1 1 1 10  31  19 o 81.26088 3.022982  1406.251       102.7121 1364.887       
138.3058 1457.120       153.3736 79.98315 4.118728 82.53861 4.426032 -2.555466 
6.045963 
1 1 1 10  31  20 o 161.7965 3.601755  5642.823       244.5698 5770.504       
344.2539 5512.710       347.5168 163.7142 5.008567 159.8787 5.177336 3.835541 
7.203509 
1 1 1 10  31  21 o 28.48755 5.923996  178.5053       79.69592 272.5313       
117.4032 98.15082       108.5328 34.14310 8.266684 22.83200 8.487454 11.31110 
11.84799 
1 1 1 10  31  22 o 62.84864 3.658254  856.9584       96.29262 817.1518       
138.7996 893.8940       133.7002 61.35770 5.388156 64.33957 4.949654 -2.981865 
7.316509 
1 1 1 10  31  23 o 64.09821 3.603592  893.0588       96.66590 844.8427       
139.6953 937.3582       133.9012 62.33525 5.337883 65.86118 4.842571 -3.525921 
7.207183 
1 1 1 10  31  24 o 71.43437 3.697422  1106.604       110.5760 1228.896       
161.5717 998.8636       151.6550 75.18561 5.118607 67.68314 5.337002 7.502472 
7.394845 
1 1 1 10  31  25 o 23.03526 6.203795  96.38763       85.05849 138.2538       
118.6042 52.05230       122.0516 25.14925 8.927287 20.92126 8.616950 4.227989 
12.40759 
1 1 1 10  31  26 o 37.48219 6.134391  346.5168       93.77513 307.6364       
146.9737 373.2126       121.7854 35.08814 9.671442 39.87624 7.548921 -4.788105 
12.26878 
1 1 1 10  31  27 o 46.47852 5.030312  506.1195       93.75179 428.0157       
138.3683 572.4057       127.4712 42.30264 8.080112 50.65439 5.993991 -8.351746 
10.06062 
1 1 1 10  31  28 f 57.17343 4.356424  737.7783       104.0715 710.1529       
152.7392 761.7180       142.1856 55.95208 6.502127 58.39478 5.799662 -2.442699 
8.712849 
1 1 1 10  31  29 o 42.07903 5.733501  428.8056       97.28586 469.2782       
144.7481 395.4601       131.3864 43.87947 8.162190 40.27859 8.054239 3.600887 
11.46700 
1 1 1 10  31  30 o 23.90942 6.589041  120.2359       96.84843 73.21892       
151.9158 152.4287       125.7055 22.51123 9.464477 25.30761 9.169816 -2.796381 
13.17808 
1 1 1 10  31  31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  31  32 o 19.81811 6.126445  29.13007       96.70944 14.04956       
146.0448 40.90691       129.0602 19.78239 8.778992 19.85384 8.547668 
-0.7145119E-01 12.25289 
1 1 1 10  31  33 o 17.62985 5.612442  -27.89581      90.52959 -111.8588      
127.6755 57.00134       128.3838 15.11676 7.221107 20.14294 8.593815 -5.026176 
11.22488 
1 1 1 10  31  34 o 25.18676 6.332682  160.6010       97.16698 15.09991       
141.0790 291.9101       134.0222 18.81327 8.475302 31.56024 9.411733 -12.74697 
12.66536 
1 1 1 10  31  35 o 22.45219 6.524959  125.2647       99.74807 176.7743       
144.6375 78.54752       137.7449 24.48688 9.626440 20.41750 8.810904 4.069380 
13.04992 
1 1 1 10  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  32  4  o 87.56159 3.069954  1717.171       102.6034 1488.244       
181.6718 1824.391       124.3306 82.57925 5.240077 92.54393 3.200010 -9.964676 
6.139908 
1 1 1 10  32  5  o 24.63795 5.719315  137.2337       68.61493 121.2767       
103.0781 149.9301       91.94560 23.77824 8.334204 25.49766 7.834749 -1.719416 
11.43863 
1 1 1 10  32  6  o 53.25062 3.828393  608.8572       76.56748 637.4637       
146.4276 598.0919       89.82660 53.67529 6.497851 52.82595 4.050220 0.8493309 
7.656785 
1 1 1 10  32  7  o 39.74050 4.778336  347.9852       71.45402 373.1808       
130.4811 337.1929       85.39702 40.03451 8.046144 39.44650 5.156504 0.5880127 
9.556671 
1 1 1 10  32  8  o 62.18224 3.616720  831.3858       85.59940 848.3835       
159.3338 824.4894       101.4892 62.23888 6.097716 62.12560 3.891081 0.1132813 
7.233440 
1 1 1 10  32  9  o 70.00674 4.406615  1051.184       129.5161 0.000000       
0.000000 1051.184       129.5161 ?        ?        70.00674 4.406615 ? ? 
1 1 1 10  32  10 o 55.94795 4.057689  675.8899       83.75355 690.2676       
163.6967 670.7915       97.47843 55.88687 6.976720 56.00904 4.145448 
-0.1221695     8.115378 
1 1 1 10  32  11 o 74.26713 3.734277  1160.261       98.88107 1253.748       
206.3016 1132.379       112.6658 75.60903 6.499053 72.92522 3.679895 2.683807 
7.468555 
1 1 1 10  32  12 o 60.53118 3.828318  768.4048       90.74623 860.9081       
164.2345 727.7522       108.8755 62.78136 6.230958 58.28100 4.449634 4.500362 
7.656637 
1 1 1 10  32  13 o 92.09172 3.842954  1900.745       137.9333 1638.814       
234.7982 2038.772       170.4444 86.50317 6.465226 97.68027 4.156206 -11.17710 
7.685909 
1 1 1 10  32  14 o 73.80779 3.559651  1141.193       101.5041 1257.759       
187.6873 1093.006       120.6742 76.05394 5.878063 71.56162 4.016570 4.492317 
7.119302 
1 1 1 10  32  15 o 47.33362 4.924680  442.7887       90.55621 640.6953       
172.8363 367.9031       106.3173 53.61390 7.678540 41.05334 6.168460 12.56057 
9.849360 
1 1 1 10  32  16 o 64.30016 3.969094  789.7162       97.75378 1180.876       
192.6098 654.0054       113.4510 73.48723 6.242916 55.11309 4.903145 18.37413 
7.938188 
1 1 1 10  32  17 o 78.35791 3.992152  1356.741       124.0331 1258.729       
208.8439 1410.150       154.1672 75.66228 6.574511 81.05354 4.530446 -5.391266 
7.984305 
1 1 1 10  32  18 o 44.96285 5.288562  411.4083       92.90974 630.2565       
165.9074 311.4167       112.1440 53.15072 7.434941 36.77498 7.523110 16.37574 
10.57712 
1 1 1 10  32  19 o 69.26367 3.228120  1036.798       93.26944 1159.369       
131.1897 911.5248       132.6279 73.53440 4.249426 64.99294 4.860598 8.541458 
6.456240 
1 1 1 10  32  20 o 64.84770 3.552588  906.9879       96.14346 778.6799       
132.0259 1051.850       140.2843 59.89177 5.250651 69.80364 4.786876 -9.911873 
7.105176 
1 1 1 10  32  21 o 19.30398 5.593235  -13.11188      82.52379 -143.3906      
115.5737 122.4016       117.8728 14.21368 6.808970 24.39428 8.875529 -10.18060 
11.18647 
1 1 1 10  32  22 o 18.66543 5.602715  1.688043       80.40568 72.54654       
111.8132 -74.19328      115.7084 21.37912 8.445094 15.95175 7.364921 5.427365 
11.20543 
1 1 1 10  32  23 o 118.3355 3.438563  3042.545       170.8186 3041.494       
240.0425 3043.623       243.1350 118.3406 4.831429 118.3303 4.894095 
0.1023102E-01  6.877127 
1 1 1 10  32  24 o 18.63224 5.647298  -12.56681      83.29405 -95.67216      
114.6099 80.46657       121.2626 15.17157 7.113168 22.09290 8.773296 -6.921327 
11.29460 
1 1 1 10  32  25 o 72.78665 3.648280  1160.609       111.3742 1093.673       
154.2705 1233.473       160.9559 70.56917 5.207016 75.00413 5.111435 -4.434959 
7.296559 
1 1 1 10  32  26 f 30.39262 6.475099  229.1095       89.65749 258.4520       
129.5226 202.1150       124.2325 32.12173 9.156506 28.66350 9.157841 3.458235 
12.95020 
1 1 1 10  32  27 o 32.78969 6.212886  266.7765       92.23470 382.9713       
132.9767 159.0450       128.0423 39.56900 8.272917 26.01038 9.271390 13.55862 
12.42577 
1 1 1 10  32  28 o 80.00099 3.652788  1388.584       121.2561 1650.921       
189.7119 1207.391       157.6649 86.18077 5.243308 73.82121 5.087156 12.35957 
7.305575 
1 1 1 10  32  29 o 34.22987 6.582716  306.2249       97.06689 302.8141       
139.7343 309.4055       134.9380 33.94156 9.458105 34.51817 9.158212 
-0.5766029     13.16543 
1 1 1 10  32  30 o 38.07120 5.901044  376.5484       99.47644 175.5672       
140.4615 578.7903       140.9014 26.42179 9.681302 49.72061 6.749938 -23.29883 
11.80209 
1 1 1 10  32  31 f 25.57702 6.628753  163.3543       92.40902 190.7678       
141.6238 143.0298       121.9451 26.91111 9.734854 24.24294 8.999671 2.668167 
13.25751 
1 1 1 10  32  32 o 20.11552 6.108497  44.53954       92.33784 99.93931       
142.3774 4.322240       121.3091 22.34934 9.265074 17.88170 7.963251 4.467636 
12.21699 
1 1 1 10  32  33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  32  34 o 20.95708 6.310642  87.54202       96.44651 130.8135       
148.7639 56.16664       126.6752 22.63956 9.433224 19.27459 8.385173 3.364973 
12.62128 
1 1 1 10  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  33  4  o 48.91865 4.072456  561.9323       72.30219 464.4488       
135.6627 600.6069       85.44911 45.03554 7.175068 52.80176 3.854608 -7.766220 
8.144913 
1 1 1 10  33  5  o 25.62601 5.507242  157.2127       63.99823 130.4303       
108.4958 171.5040       79.25483 24.24054 8.545061 27.01149 6.949875 -2.770947 
11.01448 
1 1 1 10  33  6  o 16.44211 5.054275  -58.41268      67.60365 77.16492       
111.1877 -137.9287      85.15102 21.42962 8.435235 11.45459 5.570421 9.975033 
10.10855 
1 1 1 10  33  7  o 20.67648 5.430217  79.68147       67.77181 -40.97138      
126.9667 127.7543       80.14398 17.75114 8.016141 23.60182 7.327382 -5.850677 
10.86043 
1 1 1 10  33  8  o 26.00659 5.972711  154.5343       70.88182 146.2063       
132.3994 157.8802       83.92139 25.99930 9.411749 26.01389 7.356092 
-0.1459312E-01 11.94542 
1 1 1 10  33  9  o 53.66576 6.413062  639.2872       144.4913 0.000000       
0.000000 639.2872       144.4913 ?        ?        53.66576 6.413062 ? ? 
1 1 1 10  33  10 o 48.99485 5.007163  568.8990       94.27804 436.0671       
147.7927 660.0390       122.4210 42.95226 8.498059 55.03744 5.298084 -12.08518 
10.01433 
1 1 1 10  33  11 o 112.9953 3.763973  2800.448       160.4400 2731.015       
299.1423 2828.486       190.0934 111.0837 6.414287 114.9068 3.940419 -3.823067 
7.527947 
1 1 1 10  33  12 o 37.66027 6.054355  335.1437       82.93996 320.0891       
172.5826 339.6649       94.57774 35.92370 10.67355 39.39684 5.718058 -3.473145 
12.10871 
1 1 1 10  33  13 o 32.90225 6.464849  247.0869       82.13670 279.2168       
172.3157 237.6404       93.43424 33.75838 10.78542 32.04612 7.131041 1.712261 
12.92970 
1 1 1 10  33  14 o 59.45330 4.267038  780.8649       93.39085 766.9736       
180.9158 785.9114       109.0427 58.43346 7.374559 60.47314 4.294921 -2.039673 
8.534077 
1 1 1 10  33  15 o 32.40826 6.202608  265.4754       84.74200 182.9481       
159.7418 297.7964       99.96827 28.73506 10.34433 36.08146 6.847212 -7.346401 
12.40522 
1 1 1 10  33  16 o 56.23201 4.611957  710.9154       96.37115 676.2545       
182.1407 724.3913       113.5705 54.54223 7.954173 57.92179 4.670300 -3.379555 
9.223913 
1 1 1 10  33  17 o 139.8622 4.942220  4273.204       248.4077 4576.943       
508.1801 4177.841       284.7453 140.8519 8.593618 138.8725 4.883837 1.979355 
9.884439 
1 1 1 10  33  18 o 23.13642 6.612656  80.54195       92.08916 69.08981       
176.4770 84.82716       107.9521 24.45159 10.23679 21.82126 8.373591 2.630333 
13.22531 
1 1 1 10  33  19 o 50.23561 3.699204  549.4203       77.90572 569.1552       
113.9319 532.0894       106.7674 51.05058 5.315764 49.42064 5.145783 1.629944 
7.398407 
1 1 1 10  33  20 o 55.13881 3.959142  671.4702       90.03410 826.2582       
129.1685 525.2032       125.5629 61.60616 4.994060 48.67146 6.144802 12.93470 
7.918284 
1 1 1 10  33  21 o 22.93830 6.194146  98.21102       83.69688 70.87805       
117.9634 125.9196       118.7712 21.49257 8.611614 24.38402 8.905608 -2.891447 
12.38829 
1 1 1 10  33  22 o 36.07771 5.652406  331.2766       88.32717 461.4572       
117.4605 161.8724       133.9927 45.49851 6.149162 26.65692 9.486126 18.84159 
11.30481 
1 1 1 10  33  23 o 23.38523 6.078959  106.9503       81.54182 46.96206       
114.2323 169.2736       116.4343 20.05470 8.305465 26.71577 8.878864 -6.661070 
12.15792 
1 1 1 10  33  24 o 24.22969 6.313804  124.9742       86.00709 161.9608       
120.3797 86.40700       122.9250 26.21498 9.023816 22.24440 8.833301 3.970583 
12.62761 
1 1 1 10  33  25 o 102.2611 3.288777  2284.143       140.7347 2335.219       
208.4783 2241.381       190.7580 103.1621 4.813508 101.3601 4.482673 1.802063 
6.577553 
1 1 1 10  33  26 o 97.63184 3.596094  2102.865       146.7116 2172.007       
219.6252 2047.150       197.1524 98.87070 5.290975 96.39297 4.871670 2.477737 
7.192189 
1 1 1 10  33  27 o 30.94880 6.539638  248.4464       92.48656 210.9557       
133.4778 283.0682       128.2691 28.68809 9.506517 33.20951 8.982960 -4.521418 
13.07928 
1 1 1 10  33  28 o 49.83047 4.766764  573.3505       99.27354 634.6456       
149.2220 524.6816       132.9677 52.14412 6.816296 47.51682 6.665304 4.627308 
9.533528 
1 1 1 10  33  29 o 21.98358 5.956352  27.56637       94.05868 232.0567       
136.7048 -156.2670      129.6162 29.42322 9.620745 14.54393 7.025226 14.87928 
11.91270 
1 1 1 10  33  30 o 26.19783 6.536307  166.6024       91.67258 257.8423       
139.8927 97.93311       121.3623 30.51910 9.714605 21.87656 8.747554 8.642536 
13.07261 
1 1 1 10  33  31 o 25.83593 6.602303  168.7577       93.15677 251.4335       
142.8573 107.5920       122.8761 29.59465 9.834857 22.07720 8.811197 7.517448 
13.20461 
1 1 1 10  33  32 o 20.62116 6.124238  52.07426       93.55369 173.0015       
143.1324 -38.11983      123.6132 24.85522 9.618421 16.38709 7.583613 8.468128 
12.24848 
1 1 1 10  33  33 o 19.36062 5.944789  42.60617       96.10245 -65.28783      
148.2141 120.8731       126.2351 16.82132 7.936565 21.89992 8.852853 -5.078596 
11.88958 
1 1 1 10  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  5  o 17.83436 5.205221  -9.666968      62.52696 118.9194       
113.3946 -65.84526      74.95132 23.41728 8.681361 12.25143 5.745543 11.16585 
10.41044 
1 1 1 10  34  6  f 30.61794 4.996651  255.6050       70.15726 66.74817       
119.0625 356.0563       86.83335 21.06194 8.565114 40.17395 5.148292 -19.11201 
9.993302 
1 1 1 10  34  7  o 42.23763 4.969266  387.8187       83.57285 518.0985       
142.6550 319.7411       103.1219 47.49561 7.154095 36.97966 6.898794 10.51595 
9.938533 
1 1 1 10  34  8  o 19.55891 5.334447  47.81133       73.03498 -140.6110      
133.2262 128.7664       87.32635 15.49546 7.395894 23.62237 7.689348 -8.126908 
10.66889 
1 1 1 10  34  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  34  10 o 39.74449 5.497106  399.9347       82.07379 293.3679       
144.9550 450.2187       99.57188 34.19658 9.667102 45.29240 5.236396 -11.09582 
10.99421 
1 1 1 10  34  11 o 46.19273 5.504861  515.6222       99.44518 411.7053       
154.6938 588.8139       129.8256 40.90923 9.226434 51.47623 6.007236 -10.56701 
11.00972 
1 1 1 10  34  12 o 104.5554 4.311810  2444.837       187.9017 2172.633       
269.7077 2701.566       261.9293 98.44096 6.525872 110.6699 5.637359 -12.22890 
8.623620 
1 1 1 10  34  13 o 26.08179 6.406720  154.1380       82.52342 144.6364       
147.1760 158.4953       99.66469 26.17316 9.852895 25.99042 8.191745 0.1827431 
12.81344 
1 1 1 10  34  14 o 50.29413 5.398236  632.4109       95.05510 477.5826       
173.7365 698.5583       113.5593 43.90961 9.684489 56.67865 4.772260 -12.76904 
10.79647 
1 1 1 10  34  15 o 33.08380 6.532935  268.7176       86.54343 254.6404       
176.6456 273.1637       99.27396 31.98794 10.93625 34.17966 7.149504 -2.191723 
13.06587 
1 1 1 10  34  16 o 40.34039 6.045914  452.1033       91.35611 247.8519       
176.5562 526.7839       106.7589 31.62641 10.92431 49.05436 5.183793 -17.42795 
12.09183 
1 1 1 10  34  17 o 21.14068 6.347896  37.63080       88.05601 63.03797       
171.9649 28.60142       102.5158 23.73824 10.02920 18.54312 7.784484 5.195122 
12.69579 
1 1 1 10  34  18 o 55.92980 4.520812  675.6637       99.01608 773.9870       
179.5001 632.6599       118.7108 58.17886 7.348871 53.68074 5.267359 4.498116 
9.041624 
1 1 1 10  34  19 o 37.20055 6.335189  390.9846       97.28899 186.7231       
194.8377 458.8301       112.2898 28.96937 11.21965 45.43174 5.887107 -16.46238 
12.67038 
1 1 1 10  34  20 f 75.15095 3.089136  1217.333       97.09775 1371.661       
143.5210 1087.077       131.8536 79.55427 4.297077 70.74763 4.439164 8.806641 
6.178272 
1 1 1 10  34  21 o 47.32193 4.592865  503.6201       90.65249 587.2007       
132.9139 430.9236       123.9581 51.12895 6.191910 43.51492 6.785122 7.614037 
9.185730 
1 1 1 10  34  22 o 46.01754 4.786518  490.9674       89.13074 568.8438       
125.5937 411.9490       126.5112 50.38702 5.937041 41.64805 7.509630 8.738972 
9.573035 
1 1 1 10  34  23 o 46.03064 4.788522  494.6914       88.55911 587.0080       
124.4919 400.1176       126.0048 51.18646 5.793048 40.87482 7.626294 10.31164 
9.577044 
1 1 1 10  34  24 o 26.18970 6.289523  162.6948       84.71565 217.9460       
121.5967 110.5823       118.0922 29.35649 9.007763 23.02292 8.780240 6.333576 
12.57905 
1 1 1 10  34  25 o 19.02752 5.767052  12.96808       86.17139 -63.05030      
125.5158 80.74259       118.5148 16.60201 7.667263 21.45304 8.616764 -4.851025 
11.53410 
1 1 1 10  34  26 o 26.82915 6.519466  179.2940       89.18810 213.0501       
129.9885 149.2674       122.5978 28.67224 9.381437 24.98607 9.055516 3.686171 
13.03893 
1 1 1 10  34  27 o 35.11232 6.405470  318.2469       96.43570 413.7127       
143.8256 240.2721       129.9838 40.11564 8.780694 30.10900 9.328429 10.00664 
12.81094 
1 1 1 10  34  28 o 49.26929 4.858494  572.9662       99.78123 664.5952       
145.0287 490.6082       137.4963 53.30849 6.480056 45.23009 7.240768 8.078403 
9.716988 
1 1 1 10  34  29 o 24.31952 6.469552  147.2727       89.86634 132.3185       
137.1442 158.5254       118.9659 23.76438 9.363792 24.87466 8.929715 -1.110281 
12.93910 
1 1 1 10  34  30 o 27.95000 6.179745  181.0876       92.89037 380.6635       
142.9535 35.23729       122.2065 37.00841 9.223063 18.89160 8.227521 18.11681 
12.35949 
1 1 1 10  34  31 o 23.01326 6.433441  128.1150       92.16541 195.6301       
141.8844 78.83100       121.2237 25.82002 9.683159 20.20650 8.473080 5.613522 
12.86688 
1 1 1 10  34  32 o 18.00198 5.771327  4.641643       93.58890 47.25328       
143.6623 -26.77513      123.3558 19.55845 8.689893 16.44551 7.597280 3.112946 
11.54265 
1 1 1 10  35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  5  o 17.15235 5.131971  27.39873       63.02654 -75.95216      
128.3769 60.22064       72.34550 16.35969 7.631163 17.94501 6.863955 -1.585321 
10.26394 
1 1 1 10  35  6  o 23.20956 5.837809  123.2078       67.79919 115.9208       
127.3202 126.0920       80.10072 23.40783 9.068845 23.01129 7.353647 0.3965416 
11.67562 
1 1 1 10  35  7  o 27.28304 6.010302  189.3676       76.05209 148.2422       
132.4178 209.6106       92.90271 25.27901 9.379381 29.28706 7.518121 -4.008045 
12.02060 
1 1 1 10  35  8  o 21.21254 5.714597  59.45386       84.62912 -118.0445      
136.4480 170.4232       107.8875 16.05650 7.589832 26.36857 8.545228 -10.31207 
11.42919 
1 1 1 10  35  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  35  10 o 39.11314 5.472794  353.4457       82.08727 397.2002       
148.4243 334.1649       98.52725 39.73277 9.090487 38.49351 6.096632 1.239262 
10.94559 
1 1 1 10  35  11 o 21.81370 6.172376  82.27856       84.64162 39.66081       
146.3545 103.6965       103.7528 21.33665 9.141607 22.29076 8.296018 
-0.9541073     12.34475 
1 1 1 10  35  12 o 80.44781 4.035840  1464.801       132.8653 1324.757       
205.6861 1565.079       174.0510 76.48318 6.405603 84.41246 4.911237 -7.929283 
8.071679 
1 1 1 10  35  13 o 36.08809 6.883058  335.9388       106.1645 318.2838       
165.6409 348.2477       138.3073 34.81384 10.47972 37.36234 8.926444 -2.548500 
13.76612 
1 1 1 10  35  14 o 33.55759 6.526719  292.2251       96.49909 224.5892       
152.3568 337.5347       124.7009 29.88799 10.15659 37.22720 8.199753 -7.339218 
13.05344 
1 1 1 10  35  15 o 18.34688 5.371097  -2.412114      82.36433 -345.8646      
168.1919 105.9338       94.46658 14.53683 7.216737 22.15693 7.956975 -7.620096 
10.74219 
1 1 1 10  35  16 o 50.39478 5.658773  590.9537       98.72878 626.2573       
201.1557 579.7505       113.3162 49.57246 10.01577 51.21711 5.269847 -1.644657 
11.31755 
1 1 1 10  35  17 o 29.19411 6.768132  217.5175       92.55814 156.2281       
186.4583 237.5585       106.6224 27.22738 10.85801 31.16084 8.082952 -3.933456 
13.53626 
1 1 1 10  35  18 o 51.88282 5.753686  620.5195       104.9539 690.4834       
211.9563 597.7926       120.8037 51.94260 10.07923 51.82304 5.552369 0.1195602 
11.50737 
1 1 1 10  35  19 f 35.01371 6.560415  343.9852       101.2508 176.9624       
203.1887 399.1596       116.7831 28.23736 11.30712 41.79006 6.656225 -13.55270 
13.12083 
1 1 1 10  35  20 o 20.87613 5.777361  76.53054       74.26062 107.4759       
106.6071 47.36136       103.5024 22.52668 8.404276 19.22559 7.929675 3.301092 
11.55472 
1 1 1 10  35  21 o 69.06506 3.377067  1049.778       97.91310 1068.244       
139.3200 1031.757       137.6355 69.67386 4.762825 68.45628 4.788926 1.217583 
6.754133 
1 1 1 10  35  22 o 70.74479 3.337060  1091.839       98.64153 1227.298       
148.1902 984.0694       132.1791 74.64047 4.728966 66.84911 4.709647 7.791367 
6.674121 
1 1 1 10  35  23 o 37.71410 5.787709  343.9905       88.02547 422.4144       
138.9344 291.3982       113.7750 41.20607 8.322365 34.22214 8.045405 6.983925 
11.57542 
1 1 1 10  35  24 o 48.10251 5.129202  558.8550       98.85704 458.4312       
143.1447 650.4243       136.6886 42.89788 8.242119 53.30714 6.107563 -10.40926 
10.25840 
1 1 1 10  35  25 o 45.60572 5.425173  505.6602       100.7331 510.2459       
151.6406 502.0385       134.7643 45.07585 8.325968 46.13560 6.957606 -1.059753 
10.85035 
1 1 1 10  35  26 o 24.81587 6.448674  147.2028       88.94386 194.6095       
131.6395 107.3814       120.6491 27.20578 9.429479 22.42596 8.799232 4.779814 
12.89735 
1 1 1 10  35  27 o 31.84663 6.481071  271.2029       96.76894 388.6708       
140.6084 165.5002       133.3813 38.28293 8.907811 25.41032 9.416371 12.87261 
12.96214 
1 1 1 10  35  28 o 16.40351 5.368350  -75.63744      88.08608 30.33642       
133.8214 -156.6569      117.0095 19.38896 8.525185 13.41806 6.526709 5.970905 
10.73670 
1 1 1 10  35  29 o 29.98418 6.382993  235.2073       90.87804 390.2814       
144.7557 134.3260       116.7539 37.04471 9.310756 22.92365 8.733854 14.12106 
12.76599 
1 1 1 10  35  30 o 20.18790 6.070503  76.53527       88.70515 83.16022       
140.3015 72.12347       114.4926 20.80591 8.933599 19.56989 8.221607 1.236015 
12.14101 
1 1 1 10  35  31 o 21.00808 6.254651  95.37970       95.96883 47.06667       
142.5446 135.4343       129.7910 19.47757 8.654729 22.53859 9.032070 -3.061026 
12.50930 
1 1 1 10  36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  36  5  f 20.33205 5.481031  66.72829       61.19405 155.1455       
113.5784 30.56387       72.63865 24.70266 8.739379 15.96144 6.617405 8.741219 
10.96206 
1 1 1 10  36  6  o 39.65183 5.380190  344.3582       77.21344 488.7906       
158.7112 299.5732       88.37736 43.17535 9.046361 36.12831 5.826590 7.047047 
10.76038 
1 1 1 10  36  7  o 23.60294 5.797142  139.9972       71.68122 52.80282       
142.7894 169.3745       82.88153 21.03911 9.022366 26.16676 7.281782 -5.127651 
11.59428 
1 1 1 10  36  8  o 24.47370 6.202921  91.55430       83.33264 280.0788       
147.6644 3.456236       100.9427 32.05345 9.945017 16.89394 7.416303 15.15951 
12.40584 
1 1 1 10  36  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  36  10 o 31.45533 6.303612  246.3835       79.87854 272.7927       
158.2118 237.3485       92.53904 31.67074 10.34991 31.23992 7.198721 0.4308167 
12.60722 
1 1 1 10  36  11 o 21.64073 5.281760  70.93079       82.25071 -279.4378      
155.7375 206.4621       96.86134 14.43493 7.115464 28.84652 7.807570 -14.41158 
10.56352 
1 1 1 10  36  12 o 28.06727 6.655336  202.3973       91.12768 174.6314       
159.4318 215.8699       111.0571 26.91537 10.22023 29.21916 8.527652 -2.303791 
13.31067 
1 1 1 10  36  13 o 45.82140 5.675257  503.8061       98.21156 525.2841       
176.2384 494.1320       118.2795 45.00676 9.609395 46.63605 6.041001 -1.629288 
11.35051 
1 1 1 10  36  14 o 53.45750 5.237484  621.7706       112.9343 908.5226       
193.5862 473.8315       139.0474 62.06393 7.429443 44.85107 7.384331 17.21287 
10.47497 
1 1 1 10  36  15 f 29.78823 7.066412  224.9201       103.0285 279.9560       
161.7315 187.3322       133.6582 32.23015 10.46426 27.34632 9.499263 4.883831 
14.13282 
1 1 1 10  36  16 o 43.19903 6.195651  490.3495       106.5082 365.1168       
170.7245 570.1478       136.2806 36.60125 10.53814 49.79681 6.518586 -13.19557 
12.39130 
1 1 1 10  36  17 o 29.95226 6.290691  255.3871       93.14372 62.31767       
189.1843 317.1620       107.0124 23.61798 10.26056 36.28654 7.280947 -12.66856 
12.58138 
1 1 1 10  36  18 o 25.33798 6.197447  160.0332       93.92981 -94.59333      
194.8769 237.0897       107.2046 19.91628 9.326516 30.75968 8.163914 -10.84340 
12.39489 
1 1 1 10  36  19 o 38.74511 6.384148  395.2359       97.69149 343.1696       
179.0705 417.2982       116.5659 34.97575 10.97179 42.51447 6.530640 -7.538715 
12.76830 
1 1 1 10  36  20 o 31.08323 5.684243  243.1427       74.71426 232.2242       
110.7514 252.2619       101.2152 30.21656 8.420359 31.94991 7.638064 -1.733353 
11.36849 
1 1 1 10  36  21 o 60.53146 3.772368  818.6093       95.51031 877.5826       
142.7932 770.8650       128.4815 62.40614 5.450059 58.65679 5.217270 3.749344 
7.544737 
1 1 1 10  36  22 o 22.20607 6.005389  91.92394       80.73967 170.5393       
122.2230 31.05556       107.5462 25.98336 9.078253 18.42877 7.864104 7.554586 
12.01078 
1 1 1 10  36  23 o 40.95998 6.478166  366.5903       100.8612 677.1011       
197.5718 257.1432       117.2975 50.50873 9.661903 31.41123 8.632159 19.09750 
12.95633 
1 1 1 10  36  24 o 35.85810 5.813595  339.4727       91.08265 201.3885       
132.4306 463.4259       125.4716 27.47158 9.463909 44.24462 6.754699 -16.77304 
11.62719 
1 1 1 10  36  25 o 31.39949 6.498166  276.9151       96.45708 180.7871       
145.7991 351.7366       128.6303 26.17087 9.815617 36.62811 8.518116 -10.45724 
12.99633 
1 1 1 10  36  26 o 37.82478 6.148611  375.2085       96.05879 488.0140       
145.9982 289.1006       127.5569 43.25622 8.336858 32.39333 9.039826 10.86289 
12.29722 
1 1 1 10  36  27 o 30.36351 6.592754  261.6038       93.33550 331.2879       
138.6080 203.7928       126.2487 33.94337 9.407287 26.78365 9.239079 7.159718 
13.18551 
1 1 1 10  36  28 o 26.93112 6.640821  214.2141       91.86422 226.5939       
139.3592 204.7009       122.1637 27.33632 9.679609 26.52592 9.094349 0.8103924 
13.28164 
1 1 1 10  36  29 o 27.71001 6.651175  231.0169       91.17808 259.0862       
143.2057 211.8809       118.2415 28.63088 9.843511 26.78914 8.947503 1.841736 
13.30235 
1 1 1 10  37  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  37  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  37  5  o 18.11269 5.298996  41.12349       73.13488 -73.19183      
118.8321 110.8242       92.78979 15.10863 7.122031 21.11675 7.848193 -6.008120 
10.59799 
1 1 1 10  37  6  o 20.99714 5.695264  105.0109       72.39914 14.80230       
142.1867 136.5853       84.12069 18.97943 8.531619 23.01484 7.546895 -4.035412 
11.39053 
1 1 1 10  37  7  o 37.40409 5.286854  279.4197       74.51685 567.9098       
152.5891 189.0727       85.39164 47.62745 7.631104 27.18073 7.319121 20.44672 
10.57371 
1 1 1 10  37  8  o 33.45715 5.308465  351.0401       84.98495 50.13529       
155.1350 480.0602       101.5836 21.03526 9.214409 45.87904 5.273884 -24.84378 
10.61693 
1 1 1 10  37  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  37  10 o 19.44293 6.300777  -61.37115      92.02211 138.3825       
203.3255 -112.8273      103.1961 25.51348 10.84787 13.37238 6.412716 12.14110 
12.60155 
1 1 1 10  37  11 o 35.25053 5.650281  375.8180       84.08714 149.3612       
158.9977 463.7492       99.07632 25.16987 10.03003 45.33118 5.205877 -20.16131 
11.30056 
1 1 1 10  37  12 o 36.77527 6.074214  387.5378       91.73813 238.2557       
169.0883 449.8101       109.2086 29.28412 10.63266 44.26642 5.876297 -14.98230 
12.14843 
1 1 1 10  37  13 o 25.09788 6.803913  147.0924       95.26616 166.8588       
171.1856 138.2242       114.6622 26.22718 10.42116 23.96858 8.750561 2.258604 
13.60783 
1 1 1 10  37  14 o 51.48707 5.073757  625.0708       107.6147 670.7094       
171.2023 595.2595       138.3678 52.49188 7.768525 50.48227 6.528558 2.009613 
10.14751 
1 1 1 10  37  15 o 59.19336 4.975827  840.8857       121.2103 756.6525       
183.0486 906.6611       161.7543 55.71185 7.826000 62.67486 6.147286 -6.963009 
9.951653 
1 1 1 10  37  16 o 21.26051 6.496024  48.54095       103.5157 74.73441       
167.0737 32.22080       131.8785 22.75241 9.758367 19.76860 8.577156 2.983809 
12.99205 
1 1 1 10  37  17 o 24.10843 6.572318  104.2528       111.2794 -104.5838      
177.2775 240.0444       142.9508 18.50940 8.717434 29.70745 9.838078 -11.19805 
13.14464 
1 1 1 10  37  18 o 21.42152 6.542007  20.55850       107.3874 153.0213       
174.1705 -60.68076      136.3988 25.69740 10.39429 17.14565 7.946710 8.551750 
13.08401 
1 1 1 10  37  19 o 35.84272 6.888741  285.8998       93.41637 524.6819       
198.4812 217.9545       105.8762 42.63919 11.01320 29.04626 8.278195 13.59293 
13.77748 
1 1 1 10  37  20 o 51.88945 5.561963  561.0018       101.8913 885.0051       
229.5667 481.5163       113.7046 58.09070 9.412897 45.68819 5.927824 12.40251 
11.12393 
1 1 1 10  37  21 o 21.02217 6.166391  72.01964       89.20689 108.4602       
134.1489 43.13065       119.4430 22.68820 9.144841 19.35615 8.274624 3.332047 
12.33278 
1 1 1 10  37  22 o 20.44319 5.946889  74.30823       81.86651 71.26343       
123.9876 76.66173       109.0071 20.62622 8.604247 20.26015 8.211511 0.3660698 
11.89378 
1 1 1 10  37  23 o 27.04284 6.421717  196.7028       89.35091 263.2986       
126.7347 130.8861       125.9912 30.82918 9.143849 23.25649 9.019081 7.572695 
12.84343 
1 1 1 10  37  24 o 33.26503 6.716802  310.6809       98.30058 383.1271       
150.6599 256.9774       129.7154 36.51458 9.672079 30.01547 9.322693 6.499115 
13.43360 
1 1 1 10  37  25 o 18.72644 5.931494  17.35983       96.38158 -5.227595      
134.5061 41.19676       138.1763 17.91893 8.149909 19.53395 8.620295 -1.615023 
11.86299 
1 1 1 10  37  26 o 35.92666 6.263277  354.3001       95.63403 509.9088       
148.7073 244.5549       124.8844 43.09899 8.521601 28.75434 9.181332 14.34465 
12.52655 
1 1 1 10  37  27 o 23.82684 6.436333  151.6988       93.59034 235.0829       
136.0559 76.80437       128.9437 27.55462 9.582893 20.09905 8.594981 7.455568 
12.87267 
1 1 1 10  38  7  o 28.10373 6.312468  237.5798       80.23299 206.8743       
175.9986 245.6350       90.14487 25.59962 10.41252 30.60785 7.139213 -5.008230 
12.62494 
1 1 1 10  38  8  o 20.83442 6.107683  78.48844       79.29580 167.5301       
151.5447 44.91853       93.05061 24.24228 9.741014 17.42655 7.370739 6.815729 
12.21537 
1 1 1 10  38  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 10  38  10 o 22.19260 6.182570  117.3039       94.17020 -53.52612      
179.8862 181.7935       110.5250 18.80714 8.835354 25.57807 8.650618 -6.770935 
12.36514 
1 1 1 10  38  11 o 23.07447 6.761397  125.5134       100.7104 51.49972       
224.2566 144.2113       112.7159 22.68193 10.38254 23.46701 8.664224 
-0.7850819     13.52279 
1 1 1 10  38  12 o 29.05052 6.303652  253.4801       89.56817 141.4146       
168.4645 297.6420       105.7539 24.16121 10.05100 33.93982 7.610615 -9.778610 
12.60730 
1 1 1 10  38  13 o 24.60686 6.013192  162.0303       92.57745 -73.30370      
176.9370 250.7416       108.6340 18.58949 8.741683 30.62424 8.259352 -12.03474 
12.02638 
1 1 1 10  38  14 o 26.76916 6.962175  162.9696       94.30156 323.5274       
182.1713 104.1967       110.2181 32.04588 11.09402 21.49244 8.414883 10.55344 
13.92435 
1 1 1 10  38  15 o 21.40953 6.341493  84.85759       96.51765 -22.97892      
186.1315 124.5179       112.8795 20.16293 9.321354 22.65612 8.600610 -2.493187 
12.68299 
1 1 1 10  38  16 o 43.00854 6.192132  492.3446       103.4746 482.3672       
178.9611 497.3553       126.8230 40.51059 10.45491 45.50648 6.638132 -4.995888 
12.38426 
1 1 1 10  38  17 o 27.30059 7.280152  204.0483       111.2705 271.6987       
180.9415 162.9067       141.1053 29.70488 10.97551 24.89629 9.567691 4.808596 
14.56030 
1 1 1 10  38  18 o 20.95166 6.278099  21.04854       113.7466 -248.9797      
186.3262 181.4636       143.6124 16.14638 7.944314 25.75694 9.723475 -9.610565 
12.55620 
1 1 1 10  38  19 o 18.29820 6.070753  -58.50422      116.0971 -91.87760      
188.7037 -38.17827      147.2670 18.70775 8.881962 17.88865 8.278097 0.8191013 
12.14151 
1 1 1 10  38  20 o 27.45633 7.316310  224.5666       112.9482 225.8150       
191.3150 223.8987       139.9385 27.25398 10.94745 27.65867 9.709118 
-0.4046860     14.63262 
1 1 1 10  38  21 o 60.85026 3.825486  863.1644       96.60421 715.6257       
134.7229 1019.312       138.5975 54.99871 5.834583 66.70181 4.949244 -11.70309 
7.650972 
1 1 1 10  38  22 o 24.31373 5.915002  157.4119       84.49909 27.40912       
130.7621 250.6207       110.7220 18.65264 8.288608 29.97482 8.440853 -11.32219 
11.83000 
1 1 1 10  38  23 o 34.92403 6.490232  347.1449       94.73103 405.7863       
151.6020 309.5806       121.3362 36.77556 9.684452 33.07249 8.643140 3.703072 
12.98046 
1 1 1 10  38  24 o 39.91899 5.748029  433.8433       93.07002 465.6681       
132.6807 403.0153       130.5861 41.70897 7.864827 38.12901 8.384738 3.579967 
11.49606 
1 1 1 10  38  25 o 16.77214 5.498918  -34.00370      91.64022 14.54586       
139.5168 -70.84432      121.5339 18.37315 8.341494 15.17112 7.167418 3.202028 
10.99784 
1 1 1 10  39  11 o 39.74751 6.755417  496.4269       106.1081 432.2255       
210.9534 518.1714       122.7691 33.65515 11.91001 45.83987 6.379208 -12.18472 
13.51083 
1 1 1 10  39  12 o 24.75562 7.221383  178.6861       114.0924 199.8594       
222.5909 171.1412       132.8744 25.28418 11.05679 24.22707 9.291985 1.057106 
14.44277 
1 1 1 10  39  13 o 22.74747 6.535624  138.3268       96.49827 77.07664       
189.5623 159.7510       112.1119 21.68644 9.793955 23.80850 8.656556 -2.122059 
13.07125 
1 1 1 10  39  14 o 17.61480 5.825215  -28.71186      94.44657 18.71834       
181.9891 -46.19478      110.4905 20.09306 9.261546 15.13654 7.067976 4.956519 
11.65043 
1 1 1 10  39  15 o 32.03307 7.331529  309.3887       104.5134 417.0367       
196.7963 267.1009       123.3451 34.00510 11.54318 30.06104 9.042142 3.944069 
14.66306 
1 1 1 10  39  16 o 41.25233 6.441000  507.5114       103.8542 436.9184       
186.6873 539.1487       124.9778 35.63155 11.20772 46.87311 6.350826 -11.24156 
12.88200 
1 1 1 10  39  17 o 57.54403 5.233976  818.2806       117.8529 964.3414       
212.7829 753.6465       141.5470 59.29316 8.547775 55.79490 6.042646 3.498264 
10.46795 
1 1 1 10  39  18 o 47.85159 6.547069  635.4092       123.3516 768.5153       
204.5510 559.3433       154.6313 50.69956 9.964993 45.00362 8.494432 5.695946 
13.09414 
1 1 1 10  39  19 o 19.66189 6.297152  32.20625       112.6178 -2.315005      
170.3892 58.98500       150.0700 19.18685 8.888578 20.13693 8.922424 
-0.9500828     12.59430 
1 1 1 10  39  20 o 21.68215 6.784399  89.08747       124.2504 17.20783       
198.0595 135.7339       159.5519 20.48400 9.525402 22.88029 9.663280 -2.396290 
13.56880 
1 1 1 10  39  21 o 21.24528 6.822701  54.73398       127.0040 132.9775       
213.4116 11.82764       158.0355 23.44836 10.49880 19.04219 8.716200 4.406170 
13.64540 
1 1 1 11  -30 0  o 26.26245 6.554475  218.6768       103.3075 293.7405       
124.9487 56.50003       183.6586 31.54495 8.993793 20.97996 9.537100 10.56499 
13.10895 
1 1 1 11  -29 0  o 45.25494 6.496502  563.0159       118.6888 529.4404       
159.7202 604.4200       177.3658 43.98798 8.959427 46.52189 9.409932 -2.533909 
12.99300 
1 1 1 11  -29 1  o 28.11850 7.465752  241.6218       117.6968 186.5662       
150.9552 326.9789       187.9608 25.31828 9.861197 30.91872 11.21190 -5.600437 
14.93150 
1 1 1 11  -29 2  f 28.81275 7.348775  248.9586       110.6822 177.0703       
137.1577 383.1732       187.4091 24.61666 9.440807 33.00884 11.26451 -8.392176 
14.69755 
1 1 1 11  -29 3  o 17.12981 5.745573  -66.00582      108.4432 -68.46600      
137.3504 -61.93393      176.7033 16.13905 7.622274 18.12057 8.599265 -1.981522 
11.49115 
1 1 1 11  -28 0  o 28.55591 6.452156  205.6958       91.71033 118.9315       
123.3932 312.7751       137.0798 23.03963 8.927543 34.07220 9.317739 -11.03258 
12.90431 
1 1 1 11  -28 1  o 21.47068 6.548027  16.74255       100.8594 -56.59325      
120.4983 188.3506       184.3282 16.08847 7.461501 26.85290 10.76256 -10.76442 
13.09605 
1 1 1 11  -28 2  o 31.66339 7.051155  250.7544       99.50345 174.5773       
118.7451 430.3546       182.3296 25.60407 8.947927 37.72271 10.89999 -12.11863 
14.10231 
1 1 1 11  -28 3  o 19.63164 6.126015  37.24253       98.45081 37.40897       
132.5739 37.03789       147.0023 19.33566 8.493640 19.92761 8.830080 
-0.5919495     12.25203 
1 1 1 11  -28 4  o 42.68550 6.456649  514.6509       111.5177 509.6786       
148.4441 521.0927       168.9598 43.25732 8.476027 42.11367 9.742188 1.143646 
12.91330 
1 1 1 11  -28 5  o 22.32577 6.515923  125.8872       98.83736 115.8605       
135.5172 137.2819       144.4659 21.82612 9.043082 22.82541 9.383584 
-0.9992886     13.03185 
1 1 1 11  -27 0  o 34.49601 6.259210  325.2390       94.11954 391.1964       
118.2427 211.1848       155.4885 40.38243 7.236402 28.60958 10.21496 11.77284 
12.51842 
1 1 1 11  -27 1  o 52.69215 4.931931  647.0720       105.1390 635.0417       
132.1656 667.8071       173.5135 52.77536 5.964972 52.60894 7.855881 0.1664238 
9.863861 
1 1 1 11  -27 2  o 39.84863 6.691558  409.3869       108.2505 362.0266       
137.7100 485.9788       175.1257 37.31401 8.902233 42.38325 9.992899 -5.069237 
13.38312 
1 1 1 11  -27 3  o 28.42498 6.858366  217.8934       98.12874 222.4626       
131.2429 212.1006       147.7730 28.78995 9.426596 28.06001 9.964338 0.7299404 
13.71673 
1 1 1 11  -27 4  o 20.32897 6.199306  27.81673       99.65709 -53.19858      
136.2898 120.9061       146.0932 17.17689 7.954418 23.48106 9.510668 -6.304167 
12.39861 
1 1 1 11  -27 5  o 52.14378 5.044024  660.7888       109.5487 560.5657       
148.8823 779.1133       161.7695 47.51004 7.464122 56.77751 6.786428 -9.267475 
10.08805 
1 1 1 11  -27 6  o 50.70474 5.404640  644.7086       110.5106 510.8282       
145.7749 825.6201       169.4561 43.78402 8.232893 57.62546 7.004285 -13.84144 
10.80928 
1 1 1 11  -27 7  o 19.91527 6.138872  62.15572       97.36208 89.30959       
131.3524 29.04543       145.0453 20.71714 8.759655 19.11341 8.602990 1.603727 
12.27774 
1 1 1 11  -26 0  o 31.80518 6.809579  257.9128       97.97969 260.7042       
127.8719 253.9434       152.4828 32.18634 9.073430 31.42401 10.15649 0.7623272 
13.61916 
1 1 1 11  -26 1  o 31.90647 6.113009  245.3398       84.47496 182.6357       
110.4658 333.6537       131.0975 27.24584 8.628533 36.56710 8.661637 -9.321264 
12.22602 
1 1 1 11  -26 2  o 20.89302 6.243486  38.81549       94.72179 -8.579042      
125.4728 101.6158       144.4330 18.30799 8.129378 23.47805 9.478275 -5.170059 
12.48697 
1 1 1 11  -26 3  o 26.20456 6.413997  160.3064       92.16702 248.5275       
129.0416 68.43208       131.6863 30.95806 9.235816 21.45106 8.902648 9.507004 
12.82799 
1 1 1 11  -26 4  o 41.58956 5.945128  442.1161       100.8290 520.5563       
136.2655 347.2006       149.8944 47.14403 6.884624 36.03510 9.694336 11.10893 
11.89026 
1 1 1 11  -26 5  o 30.67904 6.624952  239.5274       106.1695 404.2972       
151.6472 81.12289       148.6892 39.02180 9.362307 22.33627 9.375882 16.68553 
13.24990 
1 1 1 11  -26 6  o 27.56870 5.843731  118.0651       97.46507 -109.0222      
129.0224 419.8835       148.7448 15.39799 7.326548 39.73940 9.105957 -24.34141 
11.68746 
1 1 1 11  -26 7  f 24.92269 6.794449  153.3105       99.62476 115.0170       
130.1832 207.4312       154.7655 22.63741 9.056504 27.20797 10.13104 -4.570555 
13.58890 
1 1 1 11  -26 8  o 16.86476 5.649023  -88.90317      102.6562 -132.7230      
130.7760 -18.55242      165.7017 14.66031 7.075933 19.06920 8.807780 -4.408892 
11.29805 
1 1 1 11  -26 9  o 25.81665 7.199754  195.6460       109.3671 166.1676       
132.9350 257.3910       192.3923 24.12695 9.283339 27.50635 11.00752 -3.379404 
14.39951 
1 1 1 11  -25 0  o 50.25250 4.692149  546.4183       97.04218 461.8604       
123.3206 683.9290       157.2632 45.41779 6.467416 55.08722 6.799821 -9.669422 
9.384297 
1 1 1 11  -25 1  o 52.00436 4.538946  612.6776       97.84517 700.2427       
136.2684 519.4830       140.5803 56.19876 5.775497 47.80995 7.003695 8.388805 
9.077891 
1 1 1 11  -25 2  o 29.09105 6.585415  204.4375       89.38003 185.1591       
115.1339 233.6781       141.7951 27.64301 8.814528 30.53909 9.786463 -2.896078 
13.17083 
1 1 1 11  -25 3  f 30.19226 6.755190  224.6942       97.02861 172.7013       
131.0257 287.8282       144.3831 26.87787 9.398656 33.50665 9.705443 -6.628778 
13.51038 
1 1 1 11  -25 4  o 26.41261 6.769938  161.9892       96.48840 134.8743       
128.6842 196.8105       145.8287 24.66707 9.227467 28.15815 9.908689 -3.491081 
13.53988 
1 1 1 11  -25 5  o 78.86980 4.348784  1407.587       139.2186 1387.954       
175.7458 1440.663       228.1097 78.90976 5.304876 78.82983 6.892459 
0.7992554E-01  8.697569 
1 1 1 11  -25 6  o 77.83235 3.941306  1360.078       125.8519 1340.598       
161.5273 1390.171       200.7674 77.68793 4.952375 77.97677 6.132662 
-0.2888336     7.882612 
1 1 1 11  -25 7  o 56.00159 5.080747  674.2726       112.5084 542.5842       
134.2644 984.7583       206.1616 48.18943 6.636364 63.81377 7.695105 -15.62434 
10.16149 
1 1 1 11  -25 8  o 33.12881 7.100367  298.8564       103.2936 275.6519       
127.0131 344.1779       177.5073 32.08081 9.042665 34.17682 10.94948 -2.096008 
14.20073 
1 1 1 11  -25 9  o 23.03538 6.686859  97.71802       100.6186 45.22032       
125.7319 191.2179       167.7958 19.56946 8.431109 26.50130 10.38136 -6.931837 
13.37372 
1 1 1 11  -25 10 o 21.64495 6.427597  61.64540       97.54852 -16.85994      
121.0233 207.2400       164.8132 16.87969 7.691509 26.41021 10.30032 -9.530519 
12.85519 
1 1 1 11  -25 11 o 26.01161 6.943320  208.7739       103.3284 218.4951       
128.8127 191.2296       173.0478 26.91325 9.327724 25.10998 10.28749 1.803274 
13.88664 
1 1 1 11  -24 0  o 65.22288 4.150425  957.0620       109.8085 1063.384       
143.8625 808.6553       169.9666 70.10353 4.887974 60.34222 6.709086 9.761307 
8.300851 
1 1 1 11  -24 1  o 37.91909 5.695895  340.8845       88.83671 383.5940       
118.7293 286.5607       133.9030 41.44187 6.824010 34.39630 9.121718 7.045570 
11.39179 
1 1 1 11  -24 2  o 24.03239 5.876405  94.29538       81.42609 -14.79402      
109.9031 227.0455       121.2372 17.39233 7.679923 30.67245 8.896479 -13.28012 
11.75281 
1 1 1 11  -24 3  o 29.14955 6.322564  202.5490       85.68970 160.6693       
117.9242 249.4014       124.7290 26.35881 8.935489 31.94029 8.947418 -5.581480 
12.64513 
1 1 1 11  -24 4  o 83.21216 3.991681  1514.140       134.7309 1462.661       
168.8972 1604.219       223.4185 81.80668 4.917618 84.61765 6.288966 -2.810966 
7.983361 
1 1 1 11  -24 5  o 69.74497 4.247673  1104.918       121.8540 1204.652       
162.5225 976.8700       184.1522 73.91467 5.237258 65.57528 6.688948 8.339386 
8.495346 
1 1 1 11  -24 6  o 23.49041 6.443728  92.48904       94.58180 17.90704       
127.5038 183.7410       141.0351 19.47577 8.441655 27.50505 9.737813 -8.029284 
12.88746 
1 1 1 11  -24 7  o 33.85248 6.568520  295.5508       95.90755 295.6827       
129.0898 295.3883       143.2857 34.08337 8.918590 33.62159 9.645753 0.4617767 
13.13704 
1 1 1 11  -24 8  o 27.61720 6.953973  194.9756       101.2204 210.7196       
128.0311 168.7316       165.3000 28.58249 9.310535 26.65190 10.33174 1.930586 
13.90795 
1 1 1 11  -24 9  o 27.23848 6.953198  163.4015       96.26469 107.8384       
115.1293 292.5172       175.5021 22.39767 8.634848 32.07930 10.90079 -9.681627 
13.90640 
1 1 1 11  -24 10 o 35.51973 6.452470  273.2839       99.72701 129.3648       
119.5501 602.5742       180.8340 23.42369 8.863061 47.61577 9.379958 -24.19208 
12.90494 
1 1 1 11  -24 11 o 34.46023 6.605697  360.5535       107.9191 462.8750       
136.6522 190.9729       175.9225 42.47647 7.957020 26.44398 10.54641 16.03250 
13.21139 
1 1 1 11  -24 12 o 49.05809 5.809322  583.5330       112.2376 435.7832       
137.2797 881.4069       194.9212 40.04916 8.429913 58.06703 7.995590 -18.01788 
11.61864 
1 1 1 11  -24 13 f 26.79035 7.341207  235.4004       120.7413 277.6203       
161.4307 181.7919       181.9050 28.90625 10.39957 24.67445 10.36447 4.231800 
14.68241 
1 1 1 11  -23 0  o 54.19974 4.306830  654.9149       95.43667 742.8391       
127.7567 543.8987       143.5564 58.68581 5.185272 49.71367 6.878088 8.972145 
8.613660 
1 1 1 11  -23 1  o 72.23450 3.843359  1146.767       114.0632 1227.104       
150.3141 1037.708       175.1354 75.53120 4.740177 68.93779 6.051147 6.593414 
7.686719 
1 1 1 11  -23 2  o 46.02915 5.239514  481.8469       96.68289 494.0399       
126.0230 464.4041       150.7311 47.40071 6.332657 44.65759 8.349100 2.743126 
10.47903 
1 1 1 11  -23 3  o 100.5858 3.571313  2201.626       144.4272 2224.421       
180.7768 2161.402       240.1396 101.7823 4.230496 99.38934 5.754997 2.393005 
7.142625 
1 1 1 11  -23 4  o 49.34126 4.739219  542.5448       97.83745 538.3489       
132.8627 547.5154       144.6085 49.25004 6.425656 49.43248 6.967907 
-0.1824417     9.478438 
1 1 1 11  -23 5  o 23.42712 6.127491  83.95251       92.30732 200.4248       
123.2004 -65.11092      139.3755 28.91406 9.106680 17.94018 8.200791 10.97388 
12.25498 
1 1 1 11  -23 6  o 49.86066 4.669043  548.3238       96.39606 495.4881       
124.4460 627.5798       152.4169 47.06892 6.297497 52.65241 6.895027 -5.583496 
9.338086 
1 1 1 11  -23 7  o 20.79344 5.986801  32.46073       90.97576 136.2951       
123.3461 -91.41292      134.7238 24.85317 9.075644 16.73371 7.810238 8.119467 
11.97360 
1 1 1 11  -23 8  o 32.99657 6.480338  280.7285       95.44630 337.7004       
128.4395 210.4654       142.6370 37.00143 8.450079 28.99170 9.827271 8.009722 
12.96068 
1 1 1 11  -23 9  o 53.39194 4.927628  657.7244       109.0920 639.6924       
142.9186 682.8986       168.8665 52.89153 6.436112 53.89235 7.463413 -1.000813 
9.855256 
1 1 1 11  -23 10 o 45.41218 6.087557  560.9618       102.3072 641.6963       
124.3069 391.4627       180.1147 53.38228 5.546500 37.44208 10.83835 15.94020 
12.17511 
1 1 1 11  -23 11 o 50.96520 5.589280  547.2383       108.5524 368.9035       
129.0238 979.3180       200.8324 38.13203 8.290976 63.79837 7.497996 -25.66635 
11.17856 
1 1 1 11  -23 12 o 25.24179 6.694396  163.8678       102.7705 220.5860       
121.8204 23.85279       191.4019 28.62868 9.060606 21.85491 9.857238 6.773767 
13.38879 
1 1 1 11  -23 13 o 24.37181 6.956149  141.5000       108.8616 95.37697       
141.7984 207.7069       169.8883 21.89992 9.172688 26.84371 10.46011 -4.943790 
13.91230 
1 1 1 11  -23 14 o 32.58268 7.226110  287.2475       116.5517 130.9696       
144.3520 579.9359       197.5499 22.75061 9.370910 42.41474 11.00240 -19.66413 
14.45222 
1 1 1 11  -22 0  o 87.74049 3.789464  1651.439       134.4186 1646.930       
168.7767 1659.260       222.2777 87.84338 4.576406 87.63759 6.041246 0.2057953 
7.578928 
1 1 1 11  -22 1  o 62.10904 4.093355  842.7005       103.3359 875.8667       
132.3345 790.8785       165.4181 63.93157 4.930362 60.28652 6.535575 3.645050 
8.186709 
1 1 1 11  -22 2  o 35.20069 6.460504  299.0570       96.91897 345.2608       
124.8443 228.9749       153.7566 38.81917 7.934372 31.58221 10.19795 7.236954 
12.92101 
1 1 1 11  -22 3  o 79.31325 3.712856  1319.585       118.2861 1234.046       
145.3546 1487.294       203.5281 75.87778 4.562841 82.74872 5.858470 -6.870941 
7.425711 
1 1 1 11  -22 4  o 91.23092 3.932031  1808.082       146.2163 1811.026       
186.0934 1803.332       236.3706 91.69884 4.833794 90.76300 6.203055 0.9358368 
7.864061 
1 1 1 11  -22 5  o 31.71801 6.156149  238.2998       87.04028 166.7022       
123.6787 308.5582       122.5166 27.19782 9.150913 36.23819 8.237321 -9.040377 
12.31230 
1 1 1 11  -22 6  o 29.47445 6.701436  206.3105       95.30610 237.0298       
128.0376 168.1412       142.7212 31.41323 9.152683 27.53566 9.791086 3.877571 
13.40287 
1 1 1 11  -22 7  o 90.58878 4.028541  1807.974       147.0378 1815.310       
184.3678 1795.153       243.7278 91.44347 4.802346 89.73409 6.469470 1.709373 
8.057081 
1 1 1 11  -22 8  o 38.93775 6.050611  367.1737       95.56981 369.8831       
126.7529 363.6043       145.4881 39.45930 7.930192 38.41620 9.140659 1.043098 
12.10122 
1 1 1 11  -22 9  o 21.95313 6.198709  55.08966       89.58154 -19.13030      
117.8759 156.5578       137.8254 17.63867 7.852538 26.26758 9.593414 -8.628906 
12.39742 
1 1 1 11  -22 10 o 56.17740 4.758016  701.5848       110.5126 570.3768       
143.7238 891.3700       172.8540 49.83633 6.869160 62.51847 6.585552 -12.68215 
9.516031 
1 1 1 11  -22 11 o 20.29767 6.253186  20.26357       101.3244 60.98336       
129.8618 -43.10266      161.9972 21.13298 8.810040 19.46236 8.876516 1.670622 
12.50637 
1 1 1 11  -22 12 o 52.03749 5.274803  619.0511       110.8309 553.3118       
136.5153 746.1590       189.8258 48.77561 6.666526 55.29938 8.176284 -6.523773 
10.54961 
1 1 1 11  -22 13 o 29.88631 7.059773  214.6819       111.2415 88.79906       
144.5588 397.4623       174.1911 22.41687 9.317048 37.35575 10.60916 -14.93888 
14.11955 
1 1 1 11  -22 14 o 68.33511 5.155376  1129.035       143.3205 1092.260       
181.2067 1190.472       234.2159 68.03355 6.344132 68.63668 8.127952 
-0.6031265     10.31075 
1 1 1 11  -22 15 o 62.10799 5.620264  1005.064       131.5927 1024.175       
158.2899 962.3025       236.7781 65.93932 5.717812 58.27665 9.677607 7.662663 
11.24053 
1 1 1 11  -22 16 o 19.80567 6.417422  22.60667       120.7808 40.86237       
168.4858 3.307766       173.2329 20.18941 9.166245 19.42192 8.984053 0.7674923 
12.83484 
1 1 1 11  -21 0  o 114.9413 3.935786  2885.125       174.4270 2981.084       
210.9527 2677.715       310.1384 118.4913 4.240524 111.3912 6.631712 7.100105 
7.871572 
1 1 1 11  -21 1  o 90.37040 3.488842  1738.561       129.1626 1723.933       
165.2279 1761.545       207.1158 90.04081 4.370842 90.69999 5.439099 
-0.6591797     6.977683 
1 1 1 11  -21 2  o 46.02945 4.992883  477.6532       91.13804 526.2566       
119.6820 410.5658       140.6098 49.47509 5.761867 42.58382 8.155759 6.891266 
9.985765 
1 1 1 11  -21 3  o 106.1538 4.088034  2445.699       175.5267 2498.527       
222.0293 2357.661       286.6261 108.0809 4.893079 104.2266 6.550257 3.854347 
8.176068 
1 1 1 11  -21 4  o 80.06157 3.613495  1382.707       120.8204 1503.818       
168.2203 1253.665       173.6404 83.81121 4.780763 76.31194 5.419751 7.499275 
7.226991 
1 1 1 11  -21 5  o 65.07579 3.872432  923.9653       103.6829 969.2034       
136.0118 861.2074       160.1988 67.20235 4.820736 62.94924 6.061635 4.253109 
7.744864 
1 1 1 11  -21 6  o 43.99623 5.244647  435.6050       94.65366 466.3374       
134.8795 405.7842       132.8643 45.94432 6.992543 42.04815 7.818543 3.896175 
10.48929 
1 1 1 11  -21 7  o 47.58652 5.273298  527.2751       98.98766 598.8467       
131.0619 432.2310       151.0320 52.30962 5.967822 42.86341 8.695733 9.446209 
10.54660 
1 1 1 11  -21 8  o 115.4765 3.869227  2923.099       186.6496 3174.430       
260.3102 2657.151       267.7727 120.8758 5.129475 110.0773 5.794148 10.79847 
7.738454 
1 1 1 11  -21 9  o 31.11342 6.604802  236.5861       95.68426 291.6943       
131.4111 174.3998       139.5954 34.61922 8.970446 27.60762 9.696636 7.011600 
13.20960 
1 1 1 11  -21 10 o 25.64390 6.615671  143.4261       93.67020 174.7254       
130.1196 109.7589       134.9518 27.28261 9.382697 24.00520 9.329169 3.277416 
13.23134 
1 1 1 11  -21 11 o 24.55660 6.469088  120.6355       94.79800 195.1763       
129.5742 34.78521       139.0568 28.24142 9.366475 20.87178 8.925556 7.369631 
12.93818 
1 1 1 11  -21 12 f 43.95401 5.645331  456.0236       101.3246 382.3195       
134.6112 552.3752       153.9093 39.37000 8.392576 48.53801 7.552729 -9.168011 
11.29066 
1 1 1 11  -21 13 o 33.05624 7.188432  292.6664       108.2600 289.1150       
139.8189 297.9829       171.0716 33.16912 9.532404 32.94334 10.76232 0.2257805 
14.37686 
1 1 1 11  -21 14 o 30.43068 8.126226  264.5011       143.3248 169.0168       
268.8300 302.4197       169.4096 28.12266 12.22456 32.73869 10.70991 -4.616028 
16.25245 
1 1 1 11  -21 15 o 21.23652 6.694355  -2.190570      127.8766 -144.3508      
187.0490 122.5571       175.2196 18.11333 8.673495 24.35970 10.19942 -6.246372 
13.38871 
1 1 1 11  -21 16 o 23.73933 7.102066  125.1449       122.2377 131.6604       
173.4145 118.7106       172.3309 23.97417 10.09731 23.50449 9.990083 0.4696808 
14.20413 
1 1 1 11  -21 17 o 22.67687 7.034858  112.6666       128.2574 122.6543       
168.2836 98.82445       198.1114 22.75535 9.777777 22.59839 10.11692 0.1569538 
14.06972 
1 1 1 11  -20 0  o 154.5580 4.895716  5225.235       286.9555 5347.261       
342.1460 4935.836       526.9065 158.5039 5.141532 150.6121 8.332874 7.891876 
9.791432 
1 1 1 11  -20 1  o 77.32344 3.559966  1248.372       113.0291 1163.390       
143.5016 1387.259       183.4525 74.00845 4.618453 80.63844 5.418794 -6.629997 
7.119933 
1 1 1 11  -20 2  o 85.31569 3.682359  1556.603       128.8040 1572.800       
165.8011 1531.949       204.5564 86.02653 4.590671 84.60486 5.758890 1.421669 
7.364717 
1 1 1 11  -20 3  o 156.4144 4.324297  5251.465       283.8183 5474.167       
408.6736 5043.982       394.4629 159.6246 6.098146 153.2043 6.132765 6.420319 
8.648595 
1 1 1 11  -20 4  o 87.82417 3.926780  1638.073       139.4909 1597.444       
174.3186 1710.407       232.5917 86.55475 4.797046 89.09358 6.218260 -2.538834 
7.853560 
1 1 1 11  -20 5  o 25.92519 6.518958  119.6778       91.30976 57.04254       
120.6422 203.6754       139.7087 21.63694 8.692461 30.21344 9.717425 -8.576500 
13.03792 
1 1 1 11  -20 6  o 85.27345 4.055029  1571.920       142.0853 1586.145       
183.6861 1550.730       224.1908 85.99824 5.087538 84.54868 6.315854 1.449562 
8.110059 
1 1 1 11  -20 7  o 56.85252 4.544490  709.7983       107.1487 743.0882       
143.1678 667.4083       161.5553 58.56950 5.822303 55.13553 6.979281 3.433968 
9.088981 
1 1 1 11  -20 8  o 55.19246 4.351692  663.0274       100.6458 612.3663       
138.1512 720.3259       146.9227 52.93142 6.216735 57.45351 6.091068 -4.522091 
8.703384 
1 1 1 11  -20 9  o 60.87396 4.351484  815.4477       110.7212 841.8640       
151.3893 785.0674       162.3518 62.08149 5.808369 59.66644 6.481090 2.415047 
8.702969 
1 1 1 11  -20 10 o 39.76749 6.014748  378.9174       96.65289 400.5128       
127.9518 350.2200       147.4984 41.55207 7.618755 37.98292 9.309316 3.569145 
12.02950 
1 1 1 11  -20 11 o 30.37281 6.018780  189.6588       91.02525 43.97236       
119.4438 391.4732       140.5822 20.37311 8.468454 40.37250 8.555007 -19.99938 
12.03756 
1 1 1 11  -20 12 f 47.77363 5.467026  542.5008       104.5299 619.9732       
142.3828 451.9305       153.9489 52.49738 6.460124 43.04988 8.821582 9.447502 
10.93405 
1 1 1 11  -20 13 o 33.81000 7.293548  305.1812       114.9474 240.8876       
184.5612 345.9249       146.9221 30.74657 11.11392 36.87343 9.447966 -6.126856 
14.58710 
1 1 1 11  -20 14 o 19.41001 6.353863  -73.74619      123.1143 -100.7252      
181.0795 -50.55493      167.8877 19.18733 8.986080 19.63268 8.985359 
-0.4453526     12.70773 
1 1 1 11  -20 15 o 32.78593 7.512075  291.5017       132.7840 112.3606       
192.9733 452.5935       182.9938 25.10086 10.61548 40.47100 10.63187 -15.37014 
15.02415 
1 1 1 11  -20 16 o 17.30616 5.863931  -149.9705      121.4164 -145.9201      
172.9559 -153.9062      170.4882 17.44872 8.351665 17.16360 8.233617 0.2851219 
11.72786 
1 1 1 11  -20 17 o 57.55479 6.820436  921.3101       153.2899 1041.278       
201.5833 756.8231       236.0410 65.05308 7.380875 50.05650 11.47153 14.99658 
13.64087 
1 1 1 11  -20 18 o 21.97083 6.906910  78.64491       129.0902 39.19884       
190.6721 112.0267       175.4043 21.16603 9.647241 22.77563 9.886980 -1.609594 
13.81382 
1 1 1 11  -20 19 o 22.74505 7.111947  110.2982       139.6083 0.2461177E-01  
216.3403 188.9903       182.7540 20.61873 9.687263 24.87138 10.41519 -4.252653 
14.22389 
1 1 1 11  -19 0  o 68.63541 3.796803  975.7676       103.8872 924.8121       
126.7769 1079.926       181.2556 66.08821 4.569170 71.18261 6.065107 -5.094398 
7.593606 
1 1 1 11  -19 1  o 153.6258 4.520642  5029.903       287.8322 4953.974       
376.8515 5136.216       445.9233 152.4471 5.888059 154.8044 6.861165 -2.357346 
9.041285 
1 1 1 11  -19 2  o 83.57494 3.610627  1473.192       124.5335 1424.853       
160.7477 1545.756       196.9494 81.95787 4.671700 85.19200 5.506517 -3.234131 
7.221255 
1 1 1 11  -19 3  o 89.60527 3.980046  1713.090       142.5157 1712.845       
176.4697 1713.548       241.6587 89.82037 4.679682 89.39017 6.439227 0.4301987 
7.960092 
1 1 1 11  -19 4  o 23.67623 6.377114  46.17408       95.19626 -57.19097      
125.3945 186.7930       146.2560 17.68653 7.977765 29.66592 9.951160 -11.97939 
12.75423 
1 1 1 11  -19 5  o 121.1784 4.277205  3097.453       199.3055 3019.303       
236.9512 3286.472       368.5098 119.1198 4.738012 123.2370 7.122441 -4.117264 
8.554410 
1 1 1 11  -19 6  o 19.51237 6.013437  -12.01773      91.43188 -5.260139      
119.4321 -21.58580      142.1140 18.95418 8.192181 20.07056 8.805332 -1.116379 
12.02687 
1 1 1 11  -19 7  o 85.01897 4.080527  1543.962       141.1075 1512.009       
177.9447 1598.093       231.6121 84.08405 5.040719 85.95389 6.418252 -1.869835 
8.161054 
1 1 1 11  -19 8  o 54.84441 4.703749  678.9348       103.7803 836.7216       
141.1148 493.0649       153.1589 62.38338 5.387966 47.30545 7.711735 15.07793 
9.407498 
1 1 1 11  -19 9  o 26.78097 6.317319  154.0604       88.70467 221.0774       
117.4381 65.03303       135.3561 30.87366 8.692797 22.68827 9.168934 8.185387 
12.63464 
1 1 1 11  -19 10 o 32.83554 6.192119  262.4515       90.58320 334.8220       
119.3688 164.1951       139.0883 38.12948 7.726344 27.54159 9.678478 10.58788 
12.38424 
1 1 1 11  -19 11 o 74.02846 4.676119  1207.760       144.8074 1271.746       
216.0028 1155.527       195.1574 75.69425 6.797003 72.36267 6.423793 3.331581 
9.352239 
1 1 1 11  -19 12 o 48.51573 6.425100  529.7569       121.3713 699.6042       
209.7217 444.2243       148.8264 53.75167 9.643160 43.27979 8.493356 10.47189 
12.85020 
1 1 1 11  -19 13 o 35.45851 7.339822  296.5909       116.7090 449.7995       
189.3942 202.7963       148.1883 41.81263 10.73496 29.10440 10.01262 12.70823 
14.67964 
1 1 1 11  -19 14 o 28.87638 7.346639  177.9965       114.4268 305.3602       
184.0802 97.79091       146.0786 34.01689 11.16402 23.73588 9.552859 10.28101 
14.69328 
1 1 1 11  -19 15 o 38.92229 7.262153  408.7518       121.3169 343.4816       
188.6194 454.8044       158.4366 35.37131 11.28245 42.47326 9.146682 -7.101955 
14.52431 
1 1 1 11  -19 16 o 20.00665 6.351556  -90.09812      124.1399 -320.2372      
182.0557 109.8961       169.7141 15.52987 7.664294 24.48343 10.13053 -8.953554 
12.70311 
1 1 1 11  -19 17 o 37.79327 7.975736  405.9057       135.4455 331.3844       
176.9028 511.4829       210.5617 33.94260 10.93649 41.64394 11.61217 -7.701344 
15.95147 
1 1 1 11  -19 18 o 26.76065 7.548509  188.6638       127.5854 209.5190       
185.5515 169.9609       175.7161 27.57153 10.88288 25.94978 10.46341 1.621748 
15.09702 
1 1 1 11  -19 19 o 19.88419 6.472976  -9.558455      122.6366 60.17878       
191.2938 -58.21997      159.7943 21.90907 9.869537 17.85931 8.377942 4.049761 
12.94595 
1 1 1 11  -19 20 f 19.12345 6.514641  -69.37721      131.3453 11.75715       
260.6914 -96.98003      152.0551 21.91010 10.41997 16.33679 7.822176 5.573311 
13.02928 
1 1 1 11  -18 0  o 191.7505 6.156799  7826.791       427.0709 7748.206       
491.4174 8069.308       863.2792 190.9631 6.129458 192.5379 10.67963 -1.574783 
12.31360 
1 1 1 11  -18 1  o 81.03522 3.518686  1379.044       115.6457 1347.747       
145.0651 1433.616       191.5562 79.86828 4.326231 82.20216 5.550526 -2.333878 
7.037373 
1 1 1 11  -18 2  o 168.6501 4.301357  6061.544       303.8639 6185.796       
418.5286 5923.043       441.8785 170.5691 5.844479 166.7311 6.312587 3.838043 
8.602715 
1 1 1 11  -18 3  o 44.79301 5.681458  465.2337       99.86119 569.1761       
131.7434 324.8585       153.1008 51.68199 6.071708 37.90404 9.604699 13.77795 
11.36292 
1 1 1 11  -18 4  o 155.3227 5.308510  5216.319       327.9134 5268.168       
405.1882 5117.904       558.2321 157.0836 6.143942 153.5618 8.658699 3.521759 
10.61702 
1 1 1 11  -18 5  o 63.68309 3.818462  869.5168       101.3697 955.8026       
140.6009 776.1138       146.2847 67.06158 4.993849 60.30459 5.777896 6.756992 
7.636925 
1 1 1 11  -18 6  o 120.2710 3.778202  3054.378       186.6949 2945.750       
238.6488 3225.714       299.7180 117.7111 4.829061 122.8309 5.812006 -5.119804 
7.556404 
1 1 1 11  -18 7  o 115.9274 4.395081  2870.026       203.8586 2832.429       
252.0500 2941.141       346.6506 115.2259 5.210239 116.6288 7.079573 -1.402939 
8.790162 
1 1 1 11  -18 8  o 60.54442 4.245192  791.6207       106.4884 813.0446       
140.9122 763.0944       162.6002 61.62957 5.446037 59.45926 6.513624 2.170307 
8.490384 
1 1 1 11  -18 9  o 124.0272 4.719241  3302.574       237.3952 3206.705       
297.6571 3470.139       393.5214 122.0648 5.808273 125.9897 7.439683 -3.924911 
9.438481 
1 1 1 11  -18 10 o 39.00951 6.924043  365.1922       112.4742 312.5300       
179.1918 399.4279       144.4801 36.34801 10.89159 41.67099 8.552355 -5.322979 
13.84809 
1 1 1 11  -18 11 o 63.94292 5.024713  899.1748       133.6981 917.2337       
203.6652 885.4990       177.2337 64.31251 7.542972 63.57335 6.640372 0.7391624 
10.04943 
1 1 1 11  -18 12 o 58.16867 5.113527  730.4498       121.4920 851.6893       
201.4084 661.1015       152.3257 61.58389 7.789893 54.75346 6.626477 6.830421 
10.22705 
1 1 1 11  -18 13 o 24.83849 6.894166  106.3484       100.2020 118.3840       
174.8687 100.4648       122.2651 26.31303 10.50832 23.36394 8.927111 2.949085 
13.78833 
1 1 1 11  -18 14 o 36.87151 6.782832  329.4113       106.9368 426.2811       
161.2186 253.3084       142.8965 41.68067 9.431883 32.06234 9.750221 9.618324 
13.56566 
1 1 1 11  -18 15 o 22.27773 6.752520  3.585226       112.6786 141.8813       
183.7680 -79.73322      142.6381 26.91544 10.76342 17.64002 8.156891 9.275421 
13.50504 
1 1 1 11  -18 16 o 27.29459 7.263796  172.3079       116.3699 96.37830       
186.3132 220.8769       149.0107 25.00535 10.49572 29.58383 10.04444 -4.578485 
14.52759 
1 1 1 11  -18 17 o 29.61896 7.134622  225.1389       120.9252 42.58825       
192.7254 343.6735       155.2994 23.24924 10.22663 35.98867 9.951251 -12.73943 
14.26924 
1 1 1 11  -18 18 o 32.69229 7.564700  293.9051       118.9264 356.9255       
182.4277 247.3274       156.8336 35.24835 11.07752 30.13623 10.30473 5.112120 
15.12940 
1 1 1 11  -18 19 o 28.69201 7.510435  233.3804       122.1040 180.4363       
195.4880 267.2497       156.3560 26.75759 10.94361 30.62642 10.28902 -3.868832 
15.02087 
1 1 1 11  -18 20 o 31.93729 8.348779  323.2325       136.8682 433.9846       
264.9249 282.9096       159.8538 33.50013 13.06048 30.37444 10.40347 3.125690 
16.69756 
1 1 1 11  -18 21 o 34.56688 8.639059  453.5554       151.6353 516.8087       
288.9631 429.5182       178.1319 33.28754 13.41972 35.84621 10.88322 -2.558670 
17.27812 
1 1 1 11  -17 0  o 25.10473 5.774142  113.6529       81.86291 220.0384       
107.2209 -35.03936      126.7600 31.49281 8.072209 18.71665 8.258468 12.77616 
11.54828 
1 1 1 11  -17 1  o 99.22820 3.652826  2122.010       146.8264 2251.538       
188.1175 1920.107       234.8653 103.2871 4.338145 95.16927 5.878184 8.117851 
7.305652 
1 1 1 11  -17 2  o 73.78859 3.690181  1100.186       110.3669 967.3475       
136.2577 1353.592       188.1954 67.65149 4.797387 79.92570 5.608459 -12.27421 
7.380362 
1 1 1 11  -17 3  o 55.40592 4.205147  662.1011       96.17406 737.5093       
130.0073 570.9559       142.9306 59.01477 5.247207 51.79708 6.572660 7.217693 
8.410294 
1 1 1 11  -17 4  f 84.95222 3.823653  1539.269       135.3396 1618.731       
183.5721 1444.646       200.3208 87.43044 5.001096 82.47400 5.785356 4.956444 
7.647307 
1 1 1 11  -17 5  o 83.07964 3.720857  1463.500       126.1555 1460.022       
160.5387 1469.116       203.9873 83.05487 4.604004 83.10439 5.846559 
-0.4952240E-01 7.441714 
1 1 1 11  -17 6  o 26.98778 6.559139  146.9057       92.47569 193.5543       
118.3216 73.68447       148.2392 29.64047 8.844101 24.33509 9.688710 5.305384 
13.11828 
1 1 1 11  -17 7  o 55.03192 4.422630  647.9030       102.1615 630.1432       
143.6779 666.0640       145.2919 54.26048 6.307065 55.80336 6.201578 -1.542881 
8.845261 
1 1 1 11  -17 8  o 38.98220 6.089285  337.2176       94.87466 314.2210       
120.2409 375.1522       154.4324 37.38611 7.904332 40.57829 9.264941 -3.192181 
12.17857 
1 1 1 11  -17 9  o 133.0949 4.790235  3812.529       266.8607 3946.084       
395.5625 3700.969       361.5260 135.1210 6.972899 131.0688 6.569939 4.052185 
9.580470 
1 1 1 11  -17 10 o 112.2342 5.317424  2747.790       250.3333 2710.510       
360.0895 2782.660       348.2564 111.3962 7.699478 113.0723 7.336079 -1.676109 
10.63485 
1 1 1 11  -17 11 o 57.18703 5.523741  721.2188       131.7060 700.3517       
196.2274 738.3262       177.6726 56.26155 8.307477 58.11252 7.282354 -1.850975 
11.04748 
1 1 1 11  -17 12 o 45.56507 6.518688  489.0100       119.0906 425.9233       
189.9329 529.8805       152.8747 42.10794 10.71448 49.02220 7.427862 -6.914265 
13.03738 
1 1 1 11  -17 13 o 50.38941 5.747350  559.1526       120.1168 647.0989       
188.6464 499.1844       155.7759 53.54512 8.391693 47.23370 7.855418 6.311428 
11.49470 
1 1 1 11  -17 14 o 59.53490 5.100121  783.0564       124.5849 834.4584       
200.7284 750.8475       158.8938 60.76386 7.868365 58.30595 6.491052 2.457905 
10.20024 
1 1 1 11  -17 15 o 102.0715 4.789762  2215.751       186.7381 2621.505       
356.2030 2061.972       219.2876 107.0285 7.927187 97.11440 5.378382 9.914124 
9.579525 
1 1 1 11  -17 16 o 53.86131 6.128902  693.7255       128.7869 674.8691       
212.9761 704.5952       161.7007 51.93879 10.12834 55.78383 6.904382 -3.845036 
12.25780 
1 1 1 11  -17 17 o 30.71442 7.181844  238.4390       122.0434 56.76034       
193.6388 358.1674       157.1951 24.11823 10.42777 37.31061 9.878114 -13.19238 
14.36369 
1 1 1 11  -17 18 o 27.18319 7.275229  172.0616       119.5897 73.67782       
186.4904 240.7756       155.8538 24.01377 10.30494 30.35261 10.27249 -6.338840 
14.55046 
1 1 1 11  -17 19 o 57.00607 5.466394  790.5355       128.4122 691.9380       
190.4849 872.6703       173.8565 52.86289 8.582834 61.14925 6.772061 -8.286358 
10.93279 
1 1 1 11  -17 20 o 78.65647 5.645410  1479.557       179.0486 1720.838       
305.1916 1352.925       221.0963 82.00188 8.864818 75.31107 6.992683 6.690811 
11.29082 
1 1 1 11  -17 21 f 20.09188 6.736848  -55.32979      136.2875 -54.81269      
262.6247 -55.52037      159.4364 22.05671 10.47491 18.12706 8.474473 3.929646 
13.47370 
1 1 1 11  -17 22 o 28.59703 8.190485  291.4998       147.4719 323.8073       
272.3792 278.1018       175.4049 28.50911 12.34740 28.68494 10.76466 
-0.1758327     16.38097 
1 1 1 11  -16 0  o 99.19360 5.383201  2081.583       224.1833 0.000000       
0.000000 2081.583       224.1833 ?        ?        99.19360 5.383201 ? ? 
1 1 1 11  -16 1  o 104.4740 3.830629  2336.868       163.1602 2435.123       
209.8389 2186.639       259.4698 107.3919 4.654100 101.5562 6.085575 5.835686 
7.661258 
1 1 1 11  -16 2  o 200.0176 6.654459  8637.160       531.4128 8724.204       
659.4009 8475.875       897.5834 202.2112 7.767216 197.8239 10.80730 4.387299 
13.30892 
1 1 1 11  -16 3  o 80.17863 3.715078  1383.445       121.2994 1471.014       
156.7571 1252.759       191.4979 83.47990 4.472664 76.87737 5.933168 6.602531 
7.430155 
1 1 1 11  -16 4  o 35.40834 6.164022  277.4553       91.90785 217.0579       
126.7677 344.3817       133.4438 31.42996 9.090973 39.38673 8.326758 -7.956772 
12.32804 
1 1 1 11  -16 5  o 203.4673 6.355292  8918.292       521.2047 8950.563       
652.9933 8861.641       865.1816 204.6792 7.598995 202.2553 10.18893 2.423859 
12.71058 
1 1 1 11  -16 6  o 113.7766 4.043828  2766.165       185.6078 2816.965       
233.5485 2679.075       305.7971 115.3856 4.821104 112.1676 6.493623 3.218033 
8.087656 
1 1 1 11  -16 7  o 25.76274 6.341482  130.0596       85.28066 161.1659       
113.1438 89.14070       129.7683 27.47444 8.735716 24.05104 9.194826 3.423393 
12.68296 
1 1 1 11  -16 8  o 50.81872 5.901342  568.3984       116.9690 561.8475       
196.3291 572.0034       145.6383 49.94720 9.709051 51.69024 6.711011 -1.743042 
11.80268 
1 1 1 11  -16 9  o 28.08972 6.458270  114.6808       115.6471 -202.4381      
184.4399 320.1285       148.4549 18.67539 8.826096 37.50404 9.430643 -18.82865 
12.91654 
1 1 1 11  -16 10 o 88.05241 4.923349  1650.789       180.3685 1828.382       
278.6618 1522.738       236.6223 91.99007 7.215353 84.11475 6.700459 7.875328 
9.846698 
1 1 1 11  -16 11 o 65.21465 5.158532  919.4495       138.6591 940.7372       
218.7463 905.1506       179.2780 65.64837 7.936661 64.78092 6.591753 0.8674469 
10.31706 
1 1 1 11  -16 12 o 99.99272 4.926816  2166.420       205.3561 2226.024       
311.0836 2120.386       273.3889 101.0241 7.334542 98.96131 6.580162 2.062828 
9.853631 
1 1 1 11  -16 13 o 59.47337 5.214422  793.1393       127.0104 635.3732       
186.3440 930.0242       173.5747 53.48033 8.299317 65.46641 6.315228 -11.98608 
10.42884 
1 1 1 11  -16 14 o 38.72203 7.360519  349.1036       118.3868 410.2605       
198.7251 315.4588       147.3969 40.96724 11.22580 36.47681 9.523154 4.490425 
14.72104 
1 1 1 11  -16 15 o 36.24190 7.378103  326.4865       119.2960 268.3477       
188.8417 365.0968       153.8921 33.50093 11.30748 38.98286 9.480852 -5.481930 
14.75621 
1 1 1 11  -16 16 o 55.35311 6.222667  741.2368       134.5904 604.7277       
209.0641 837.8563       175.8860 49.46340 10.39672 61.24283 6.840646 -11.77943 
12.44533 
1 1 1 11  -16 17 o 55.42466 6.590129  743.9376       148.4332 699.1684       
219.7373 781.5108       201.3044 52.90836 10.25851 57.94097 8.275392 -5.032616 
13.18026 
1 1 1 11  -16 18 o 27.74630 7.323260  162.7404       119.3226 264.9261       
173.5789 71.18933       164.2986 32.05050 10.84090 23.44210 9.848627 8.608406 
14.64652 
1 1 1 11  -16 19 o 45.98545 7.053530  559.2925       137.1552 360.6080       
195.8934 750.3481       192.0958 35.96625 11.50054 56.00466 8.169862 -20.03841 
14.10706 
1 1 1 11  -16 20 o 42.21227 7.168999  479.2834       125.5818 459.3901       
179.6898 498.2773       175.5804 41.05592 10.40653 43.36862 9.863178 -2.312698 
14.33800 
1 1 1 11  -16 21 o 32.28633 8.627233  299.2185       153.6512 428.9124       
262.7852 231.8461       189.4010 35.66742 13.21716 28.90525 11.09158 6.762169 
17.25447 
1 1 1 11  -16 22 o 46.64077 8.932916  716.9758       175.5807 768.5301       
292.2621 687.8608       219.6335 45.48766 13.96659 47.79388 11.14102 -2.306213 
17.86583 
1 1 1 11  -16 23 o 17.97827 6.287457  -246.5041      158.6632 -107.7612      
269.2070 -320.3483      196.3989 20.58011 9.975608 15.37642 7.656092 5.203682 
12.57491 
1 1 1 11  -15 0  o 111.7481 3.427082  2615.922       156.7416 2541.358       
199.1864 2737.179       254.0099 109.7479 4.322994 113.7484 5.318955 -4.000549 
6.854164 
1 1 1 11  -15 1  o 52.22289 4.140652  574.7601       87.58176 566.1492       
109.8486 589.7850       145.1014 51.75103 5.055879 52.69473 6.558818 
-0.9436989     8.281304 
1 1 1 11  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -15 3  o 48.15340 5.123023  509.9166       97.82829 546.4875       
127.0080 456.5687       153.3988 50.78057 5.957368 45.52622 8.336138 5.254356 
10.24605 
1 1 1 11  -15 4  o 143.9974 4.697562  4405.176       283.7219 4655.271       
403.5045 4160.608       399.0199 148.0789 6.490469 139.9158 6.792801 8.163177 
9.395123 
1 1 1 11  -15 5  o 91.04832 4.037491  1774.987       149.2112 1836.486       
190.1994 1676.566       240.6128 93.23283 4.859160 88.86380 6.449334 4.369034 
8.074983 
1 1 1 11  -15 6  o 114.8792 4.223289  2804.132       196.0167 2819.643       
246.2733 2777.320       323.7878 115.4734 5.079916 114.2850 6.748271 1.188408 
8.446579 
1 1 1 11  -15 7  o 22.05305 6.517826  21.35793       99.87147 44.05124       
154.0572 4.907244       131.1672 23.61064 9.695486 20.49545 8.713539 3.115185 
13.03565 
1 1 1 11  -15 8  o 67.07784 4.680882  937.4797       128.4077 1051.367       
211.1763 870.6693       161.7446 70.15170 7.170148 64.00397 6.019269 6.147728 
9.361764 
1 1 1 11  -15 9  o 50.96059 5.990738  610.1005       117.3788 401.3603       
180.1916 763.9682       154.7053 42.04194 10.28034 59.87923 6.153896 -17.83729 
11.98148 
1 1 1 11  -15 10 o 27.71192 7.345725  110.8602       116.0609 214.9289       
185.4812 43.89370       148.7883 32.31571 11.19368 23.10813 9.515258 9.207584 
14.69145 
1 1 1 11  -15 11 o 109.5194 5.299290  2539.898       238.9966 2859.343       
384.9866 2339.596       304.8521 114.7935 7.988206 104.2453 6.965520 10.54821 
10.59858 
1 1 1 11  -15 12 o 102.0774 4.107212  2155.822       171.7825 2580.164       
283.0185 1908.304       216.1526 109.6401 6.148460 94.51469 5.447311 15.12545 
8.214424 
1 1 1 11  -15 13 o 27.32333 7.158644  141.2708       108.0430 80.00123       
188.1492 171.4146       131.9712 26.37488 10.75318 28.27178 9.452713 -1.896902 
14.31729 
1 1 1 11  -15 14 o 92.36948 4.745695  1865.629       182.8831 1694.336       
264.5663 2022.380       253.0871 88.06743 7.155503 96.67153 6.235805 -8.604103 
9.491390 
1 1 1 11  -15 15 o 85.99937 5.366060  1632.260       192.2944 1674.598       
291.5460 1599.659       255.8314 86.73308 8.006512 85.26566 7.146621 1.467422 
10.73212 
1 1 1 11  -15 16 o 43.49385 7.302580  443.1375       130.4926 577.7718       
206.1673 353.1494       168.5522 48.87471 10.36270 38.11298 10.29200 10.76173 
14.60516 
1 1 1 11  -15 17 o 44.97878 6.680831  487.8390       122.1364 502.5302       
171.9480 472.8784       173.5165 45.79351 9.267415 44.16404 9.625437 1.629471 
13.36166 
1 1 1 11  -15 18 o 56.76535 6.658982  771.7437       152.2727 593.5710       
207.7338 978.6564       223.8618 48.54431 10.49029 64.98638 8.205003 -16.44207 
13.31796 
1 1 1 11  -15 19 o 24.37195 7.098283  38.73636       124.2657 219.3298       
191.1354 -93.48807      163.5483 30.11802 11.24991 18.62587 8.659213 11.49215 
14.19657 
1 1 1 11  -15 20 o 37.86990 7.760496  389.7611       132.2866 318.3847       
185.6062 463.4528       188.5926 34.17057 11.21019 41.56922 10.73465 -7.398647 
15.52099 
1 1 1 11  -15 21 o 34.00494 7.068027  307.6310       107.5383 264.4663       
144.8526 360.6346       160.5146 31.48015 9.866542 36.52974 10.12321 -5.049595 
14.13605 
1 1 1 11  -15 22 o 25.61306 7.776524  118.9645       156.1984 -27.46844      
258.6408 203.0329       195.9720 23.33943 10.86553 27.88668 11.12823 -4.547255 
15.55305 
1 1 1 11  -15 23 o 25.54411 7.884664  146.6923       159.7577 90.96894       
267.4443 177.6071       199.2038 24.97842 11.39580 26.10981 10.89988 -1.131388 
15.76933 
1 1 1 11  -15 24 o 34.80334 8.136383  477.3303       165.0941 217.9887       
281.9539 612.6360       203.6573 26.18438 11.87856 43.42230 11.12218 -17.23792 
16.27277 
1 1 1 11  -14 0  o 164.2579 4.141092  5738.653       263.2663 5780.723       
316.8385 5644.831       473.1620 165.5123 4.559622 163.0035 6.914075 2.508804 
8.282185 
1 1 1 11  -14 1  o 269.6310 8.532162  15819.46       877.8564 15791.55       
1044.851 15886.42       1618.713 271.3116 9.172907 267.9504 14.38919 3.361206 
17.06432 
1 1 1 11  -14 2  o 84.16801 3.492192  1506.345       121.2221 1551.350       
158.6785 1443.265       187.8604 85.74317 4.407980 82.59285 5.417686 3.150322 
6.984383 
1 1 1 11  -14 3  o 130.8148 5.038236  3632.834       274.7832 3564.751       
366.1184 3720.653       415.8118 129.5110 6.733423 132.1186 7.496419 -2.607590 
10.07647 
1 1 1 11  -14 4  o 43.29381 6.333046  397.7984       115.1112 397.7984       
115.1112 0.000000       0.000000 43.29381 6.333046 ?        ?        ? ? 
1 1 1 11  -14 5  o 73.13226 3.650172  1116.860       109.9381 1063.102       
140.8496 1200.673       175.8697 70.95014 4.728502 75.31437 5.562041 -4.364227 
7.300344 
1 1 1 11  -14 6  o 193.5181 8.057329  8137.197       653.2708 8121.668       
954.0018 8150.908       896.4138 193.1277 11.76592 193.9085 11.01115 
-0.7808533     16.11466 
1 1 1 11  -14 7  o 39.08538 6.650208  340.8192       107.5902 345.5386       
159.7911 336.9051       145.5193 39.29960 9.725002 38.87115 9.073334 0.4284439 
13.30042 
1 1 1 11  -14 8  o 118.6650 4.757357  2993.371       236.9460 3032.618       
339.8546 2956.248       330.5247 119.4101 6.779120 117.9200 6.676326 1.490044 
9.514714 
1 1 1 11  -14 9  o 148.6281 6.436455  4741.441       398.4223 4880.622       
606.3087 4635.664       528.5664 150.3278 9.606728 146.9284 8.568700 3.399445 
12.87291 
1 1 1 11  -14 10 o 135.5331 5.428016  3919.826       308.1264 4280.032       
453.4021 3610.705       420.0227 141.3041 7.642752 129.7621 7.709848 11.54198 
10.85603 
1 1 1 11  -14 11 o 30.02331 7.182484  162.1116       113.0245 291.5696       
171.3760 62.45831       150.3597 36.05292 10.61617 23.99370 9.677251 12.05923 
14.36497 
1 1 1 11  -14 12 o 25.57735 6.933381  21.59338       107.8081 243.8077       
190.6659 -82.83899      130.7087 33.75250 11.36196 17.40221 7.949395 16.35029 
13.86676 
1 1 1 11  -14 13 o 50.65037 6.227953  570.6810       129.2753 555.4472       
188.0755 584.3244       177.9871 49.51083 9.388359 51.78992 8.185862 -2.279091 
12.45591 
1 1 1 11  -14 14 o 77.95546 5.117297  1305.709       166.5080 1444.720       
252.6839 1199.019       221.3673 81.53426 7.381736 74.37666 7.089209 7.157593 
10.23459 
1 1 1 11  -14 15 f 30.35091 7.396869  164.6335       114.0913 314.0140       
192.0182 83.11910       141.8445 36.65681 11.33411 24.04502 9.507506 12.61179 
14.79374 
1 1 1 11  -14 16 o 63.76131 5.860228  915.1011       155.0267 794.6437       
225.0367 1023.901       213.8710 59.38077 9.026692 68.14186 7.475822 -8.761093 
11.72046 
1 1 1 11  -14 17 o 17.89402 5.931867  -134.4608      112.6345 -136.1909      
159.1553 -132.7249      159.4234 17.84560 8.369650 17.94243 8.408158 
-0.9682655E-01 11.86373 
1 1 1 11  -14 18 o 55.64592 5.749343  705.1324       134.0391 704.2155       
195.6077 705.9443       184.0405 55.46542 8.400107 55.82643 7.852259 
-0.3610153     11.49869 
1 1 1 11  -14 19 f 45.85047 7.092922  524.1016       131.8975 505.7457       
200.9651 537.9919       174.8186 44.53084 10.83683 47.17010 9.154305 -2.639259 
14.18584 
1 1 1 11  -14 20 o 70.06407 5.197503  1126.106       150.9522 1114.765       
198.4119 1141.691       232.5977 70.13023 6.738816 69.99791 7.914828 0.1323242 
10.39501 
1 1 1 11  -14 21 o 47.20514 6.876333  569.7376       134.0889 697.0143       
189.8447 443.0344       189.4166 53.89870 8.389601 40.51158 10.89727 13.38712 
13.75267 
1 1 1 11  -14 22 o 27.67658 7.178595  153.4570       125.4857 -32.00007      
176.7326 342.0143       178.2037 20.40170 9.295923 34.95147 10.94142 -14.54976 
14.35719 
1 1 1 11  -14 23 o 23.32030 7.039351  35.41277       132.3464 216.4408       
189.7555 -136.0604      184.6798 28.36845 11.05470 18.27217 8.717995 10.09628 
14.07870 
1 1 1 11  -14 24 o 42.71067 8.854321  611.5978       166.7221 627.4269       
285.1165 603.3729       205.5219 40.52785 13.89363 44.89349 10.98012 -4.365646 
17.70864 
1 1 1 11  -14 25 o 30.41733 7.549884  312.6015       114.8377 278.7656       
291.7276 318.8061       124.9239 27.43060 12.27856 33.40406 8.788631 -5.973457 
15.09977 
1 1 1 11  -13 0  o 302.8242 8.957114  19855.12       1065.027 19747.16       
1295.121 20080.62       1871.753 303.3533 10.16910 302.2950 14.74818 1.058258 
17.91423 
1 1 1 11  -13 1  o 151.2343 5.049437  4719.856       282.0732 4575.629       
326.2753 5146.607       561.2399 147.1780 5.280346 155.2906 8.608438 -8.112610 
10.09887 
1 1 1 11  -13 2  o 75.20834 3.348154  1179.254       101.0768 1145.970       
124.9085 1242.394       172.0387 73.74397 4.034471 76.67273 5.344491 -2.928764 
6.696308 
1 1 1 11  -13 3  o 61.50459 3.769126  749.0192       93.23298 635.2499       
113.6393 983.2785       163.0664 54.84428 4.935354 68.16490 5.698029 -13.32062 
7.538253 
1 1 1 11  -13 4  o 84.83856 3.813510  1474.249       129.3619 1373.957       
157.9193 1678.824       225.5426 80.67271 4.662615 89.00441 6.035847 -8.331703 
7.627019 
1 1 1 11  -13 5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -13 6  o 125.9113 5.403326  3392.066       282.4170 3306.196       
429.7796 3457.325       374.6649 124.3443 8.232674 127.4782 7.000485 -3.133873 
10.80665 
1 1 1 11  -13 7  o 100.8241 4.920671  2160.518       208.2206 2091.201       
290.5237 2233.731       298.5784 99.15859 6.978663 102.4896 6.939041 -3.331039 
9.841343 
1 1 1 11  -13 8  o 114.8842 4.586782  2801.439       221.1940 2831.985       
316.3338 2772.215       309.4122 115.4893 6.524162 114.2790 6.448997 1.210365 
9.173563 
1 1 1 11  -13 9  o 126.6626 4.973042  3432.635       256.5971 3333.134       
413.1182 3495.133       327.4120 124.9430 7.875594 128.3822 6.074505 -3.439125 
9.946084 
1 1 1 11  -13 10 o 162.5082 6.051300  5588.275       400.5971 5972.048       
659.7496 5364.153       504.1797 166.4972 9.438288 158.5193 7.575728 7.977936 
12.10260 
1 1 1 11  -13 11 o 25.91523 7.032931  99.69943       110.3230 -30.46219      
195.2679 160.7286       133.7082 23.69732 10.35947 28.13313 9.514719 -4.435802 
14.06586 
1 1 1 11  -13 12 o 95.40936 5.243788  1902.922       206.1847 2210.642       
332.3737 1710.429       262.8790 101.4111 7.806606 89.40762 7.003295 12.00349 
10.48758 
1 1 1 11  -13 13 o 78.05721 5.102636  1295.396       164.3141 1387.804       
261.1195 1234.817       211.4211 80.19243 7.755808 75.92200 6.632874 4.270432 
10.20527 
1 1 1 11  -13 14 o 96.48566 5.144931  1971.903       201.4759 2160.658       
336.4806 1866.404       251.5563 99.71878 8.037188 93.25254 6.425332 6.466240 
10.28986 
1 1 1 11  -13 15 o 160.8479 6.342411  5719.486       413.0901 5634.420       
675.4294 5770.319       522.1255 158.8325 10.12888 162.8632 7.636127 -4.030640 
12.68482 
1 1 1 11  -13 16 o 28.99475 7.642719  156.3575       127.6798 80.12707       
195.4235 213.1332       168.6530 26.66320 10.92953 31.32630 10.68597 -4.663101 
15.28544 
1 1 1 11  -13 17 o 47.09043 6.542026  512.7629       126.3749 586.7606       
176.0684 434.1315       181.4973 51.39637 8.159622 42.78449 10.22805 8.611885 
13.08405 
1 1 1 11  -13 18 o 134.2262 5.877894  4051.145       323.8090 4029.455       
416.8582 4084.143       514.1729 134.7491 7.368575 133.7034 9.159841 1.045746 
11.75579 
1 1 1 11  -13 19 o 37.41034 7.217172  338.1301       122.0189 479.9112       
177.3051 210.5700       168.1781 44.53109 9.751038 30.28959 10.64272 14.24150 
14.43434 
1 1 1 11  -13 20 o 36.59452 7.545155  338.5810       122.6802 356.8947       
181.4583 323.1626       166.4977 37.37846 10.89773 35.81059 10.43825 1.567871 
15.09031 
1 1 1 11  -13 21 o 41.94371 7.071233  448.6159       123.4045 382.2452       
175.0914 514.1278       173.9547 38.36846 10.54754 45.51896 9.421189 -7.150497 
14.14247 
1 1 1 11  -13 22 o 95.42238 5.072772  2099.791       202.2385 2219.250       
304.0470 2005.000       270.8412 97.52214 7.426062 93.32262 6.912719 4.199516 
10.14554 
1 1 1 11  -13 23 f 24.78354 7.352477  106.4846       130.3489 63.62922       
190.3844 144.3000       178.8392 23.60900 10.27541 25.95807 10.51910 -2.349068 
14.70495 
1 1 1 11  -13 24 o 28.76442 7.623842  224.0302       131.4871 115.4839       
200.3996 306.0831       174.2353 24.98912 10.70151 32.53972 10.86138 -7.550602 
15.24768 
1 1 1 11  -13 25 o 34.13899 7.817629  353.6508       119.8099 390.7715       
243.9691 341.8534       137.5370 33.18294 12.63027 35.09504 9.216165 -1.912106 
15.63526 
1 1 1 11  -13 26 o 24.58073 7.539279  43.96800       112.8416 482.6931       
268.8585 -49.83938      124.3215 33.23523 13.10588 15.92624 7.456466 17.30899 
15.07856 
1 1 1 11  -12 0  o 41.57190 5.123815  348.7702       84.45093 295.9466       
103.2673 455.4283       146.7392 36.79989 6.937960 46.34390 7.541791 -9.544006 
10.24763 
1 1 1 11  -12 1  o 142.9063 5.031285  4312.391       278.9085 4288.120       
335.1782 4367.030       502.9043 142.5088 5.602154 143.3037 8.358899 
-0.7948608     10.06257 
1 1 1 11  -12 2  o 63.27608 3.759804  822.2935       96.53444 762.0613       
120.0137 932.6894       162.4775 60.11774 4.754988 66.43441 5.825341 -6.316666 
7.519608 
1 1 1 11  -12 3  o 134.0970 3.866999  3809.463       216.6386 3924.278       
294.8828 3674.830       319.3208 136.3459 5.151439 131.8480 5.768656 4.497849 
7.733997 
1 1 1 11  -12 4  o 250.7878 8.189674  13660.92       858.2137 12750.30       
1246.149 14482.50       1183.656 242.3672 12.24665 259.2084 10.87670 -16.84116 
16.37935 
1 1 1 11  -12 5  o 112.8105 4.182296  2692.203       195.1205 2682.324       
254.7076 2706.234       303.5608 112.6417 5.385966 112.9792 6.399825 
-0.3374939     8.364592 
1 1 1 11  -12 6  o 47.35564 5.597292  470.3228       107.2118 603.7180       
168.6628 379.8777       138.8806 53.23500 7.546458 41.47626 8.268597 11.75874 
11.19458 
1 1 1 11  -12 7  o 67.38812 7.210693  966.7722       204.0043 966.7722       
204.0043 0.000000       0.000000 67.38812 7.210693 ?        ?        ? ? 
1 1 1 11  -12 8  o 89.57965 4.169376  1700.822       155.4513 1698.727       
235.6872 1702.435       206.8143 89.47474 6.274176 89.68456 5.492677 
-0.2098160     8.338752 
1 1 1 11  -12 9  o 40.76570 7.133120  355.3485       120.0509 472.5645       
193.0097 281.3860       153.3174 45.92805 10.26961 35.60336 9.902563 10.32469 
14.26624 
1 1 1 11  -12 10 o 102.9883 4.822517  2250.594       199.8586 2268.840       
334.5936 2240.474       249.1988 103.1300 7.727765 102.8467 5.771338 0.2832184 
9.645035 
1 1 1 11  -12 11 o 151.3798 4.998440  4861.722       316.1748 5047.152       
474.1231 4713.221       424.2927 153.8878 7.338511 148.8717 6.788510 5.016113 
9.996881 
1 1 1 11  -12 12 f 71.55916 5.240996  1096.919       155.7518 901.7211       
217.3417 1302.990       223.3122 64.89727 7.976964 78.22105 6.800014 -13.32378 
10.48199 
1 1 1 11  -12 13 o 238.3929 10.38569  12888.30       1039.438 12998.83       
1472.521 12778.51       1467.466 239.4606 14.64700 237.3251 14.72805 2.135422 
20.77138 
1 1 1 11  -12 14 o 107.5667 5.018435  2492.365       224.7694 2564.021       
301.9705 2403.341       336.5827 109.4751 6.570075 105.6584 7.587678 3.816681 
10.03687 
1 1 1 11  -12 15 o 60.55981 6.251073  846.5033       145.3852 531.1155       
208.1949 1146.676       203.1108 48.04726 10.60522 73.07236 6.620656 -25.02510 
12.50215 
1 1 1 11  -12 16 f 72.55701 5.269649  1153.449       158.7640 1030.880       
233.5353 1258.774       216.4852 68.72540 8.093872 76.38862 6.750262 -7.663223 
10.53930 
1 1 1 11  -12 17 o 121.3246 5.694580  3231.308       288.1605 3240.906       
432.7202 3223.661       386.2659 121.1778 8.505604 121.4714 7.574144 
-0.2935333     11.38916 
1 1 1 11  -12 18 o 48.32088 6.766047  532.6500       130.5959 606.5573       
206.2229 483.1651       168.7446 50.92709 10.00162 45.71467 9.115105 5.212414 
13.53209 
1 1 1 11  -12 19 o 48.96253 6.941188  571.5708       138.6271 489.8085       
207.7973 637.1433       186.0905 44.71363 11.10554 53.21144 8.329910 -8.497810 
13.88238 
1 1 1 11  -12 20 o 26.20630 7.319180  118.6126       119.7205 89.85420       
175.4458 143.6728       163.7767 25.33812 10.36598 27.07447 10.33576 -1.736355 
14.63836 
1 1 1 11  -12 21 o 31.08295 7.470168  234.3674       116.6141 225.4940       
164.3801 243.3577       165.4596 30.62381 10.54447 31.54208 10.58432 
-0.9182663     14.94034 
1 1 1 11  -12 22 o 22.29413 6.777424  23.55329       118.9430 -69.02319      
174.7303 103.4959       162.3705 19.91689 9.136803 24.67137 10.01263 -4.754477 
13.55485 
1 1 1 11  -12 23 o 93.35735 4.578535  1976.738       179.0065 2174.598       
262.3399 1804.354       244.8689 97.80703 6.388741 88.90766 6.560176 8.899368 
9.157070 
1 1 1 11  -12 24 o 30.95659 7.215737  161.7104       122.6633 518.1291       
210.4347 -21.71708      150.9625 42.62160 11.49547 19.29157 8.724766 23.33004 
14.43147 
1 1 1 11  -12 25 o 43.83170 7.003031  548.8495       114.3153 457.3421       
231.5407 578.3445       131.4538 37.78143 12.52076 49.88196 6.276978 -12.10053 
14.00606 
1 1 1 11  -12 26 o 26.19587 7.365852  191.7402       120.0398 74.94802       
263.7422 222.2553       134.8126 24.42567 11.21363 27.96606 9.553931 -3.540384 
14.73170 
1 1 1 11  -12 27 o 16.21885 5.444810  -70.00413      93.67803 -48.07270      
163.8766 -80.64910      114.1710 17.93257 8.426972 14.50513 6.897099 3.427441 
10.88962 
1 1 1 11  -11 0  o 115.7724 3.943964  2852.637       175.9045 2893.740       
211.2794 2759.779       317.5613 117.2516 4.291998 114.2933 6.618018 2.958298 
7.887928 
1 1 1 11  -11 1  o 131.2154 4.322824  3563.583       225.7842 3419.365       
275.6593 3857.553       393.5622 127.3692 5.155007 135.0616 6.940688 -7.692429 
8.645649 
1 1 1 11  -11 2  o 93.25191 3.745446  1839.799       136.2587 1850.284       
164.9468 1817.271       241.7831 93.75086 4.190730 92.75297 6.208965 0.9978943 
7.490892 
1 1 1 11  -11 3  o 120.3989 5.036552  3067.610       254.4212 3010.177       
352.3184 3130.198       367.7921 119.2346 7.038076 121.5632 7.206450 -2.328598 
10.07310 
1 1 1 11  -11 4  f 111.7727 4.830734  2636.252       226.2634 2858.116       
330.8344 2441.280       310.1371 116.1824 6.782527 107.3630 6.880502 8.819351 
9.661469 
1 1 1 11  -11 5  o 285.8747 9.531655  17698.71       1127.465 17235.73       
1467.160 18366.44       1761.968 282.1340 12.38635 289.6154 14.49097 -7.481476 
19.06331 
1 1 1 11  -11 6  o 144.3781 4.464374  4379.510       268.3767 4681.461       
411.7202 4156.420       353.8936 148.6113 6.598898 140.1448 6.014737 8.466431 
8.928747 
1 1 1 11  -11 7  o 123.5289 5.022714  3238.655       260.2445 3050.825       
361.5284 3440.656       374.9194 119.7983 7.188076 127.2595 7.017277 -7.461197 
10.04543 
1 1 1 11  -11 8  o 98.62945 5.607372  2058.956       232.1907 0.000000       
0.000000 2058.956       232.1907 ?        ?        98.62945 5.607372 ? ? 
1 1 1 11  -11 9  o 45.74342 5.778279  462.5188       105.9945 415.3277       
163.8405 496.4856       139.0013 43.16448 9.306431 48.32235 6.851597 -5.157875 
11.55656 
1 1 1 11  -11 10 o 164.7741 6.621299  5869.696       450.3815 6043.167       
591.2177 5629.826       695.2173 168.0748 8.378493 161.4735 10.25511 6.601242 
13.24260 
1 1 1 11  -11 11 o 155.6583 6.785504  5205.108       442.8730 5074.297       
608.3436 5352.608       645.9839 153.6449 9.430871 157.6717 9.758634 -4.026779 
13.57101 
1 1 1 11  -11 12 o 24.95526 7.035306  -20.19941      118.1243 207.5125       
197.3371 -147.3511      147.4610 32.68924 11.52417 17.22128 8.073144 15.46796 
14.07061 
1 1 1 11  -11 13 o 31.19973 7.414476  180.1710       121.9505 65.68719       
168.8215 305.0977       176.3532 25.34769 10.24143 37.05177 10.72432 -11.70408 
14.82895 
1 1 1 11  -11 14 o 147.4459 6.616861  4661.354       406.8528 4342.448       
538.8299 5084.309       620.5362 141.7777 9.052424 153.1141 9.653238 -11.33643 
13.23372 
1 1 1 11  -11 15 o 42.86236 6.696461  388.3924       122.0470 615.6915       
189.5215 227.3434       159.5287 53.34542 8.462185 32.37931 10.38084 20.96611 
13.39292 
1 1 1 11  -11 16 o 68.78197 5.162523  1002.614       144.4956 1091.323       
239.4445 951.8063       181.2103 70.93918 8.039700 66.62475 6.478410 4.314430 
10.32505 
1 1 1 11  -11 17 o 23.56212 7.061166  19.92390       114.5905 61.15927       
199.2918 -0.4423113     140.0586 26.41995 10.95763 20.70430 8.909020 5.715651 
14.12233 
1 1 1 11  -11 18 o 25.02279 7.151480  76.00061       116.4611 53.12912       
167.3874 97.46051       162.1397 24.28792 10.05592 25.75765 10.17119 -1.469725 
14.30296 
1 1 1 11  -11 19 o 68.98083 5.279842  1045.136       152.1876 1053.999       
226.6895 1037.864       205.3419 69.09920 7.814110 68.86248 7.102578 0.2367172 
10.55968 
1 1 1 11  -11 20 o 34.91767 7.646853  293.3323       123.8729 266.2577       
187.0330 314.4887       165.3326 33.67151 11.25320 36.16383 10.35678 -2.492317 
15.29371 
1 1 1 11  -11 21 o 40.47492 7.066830  399.9674       119.5153 412.8197       
170.2910 387.4918       167.7772 41.14469 9.952399 39.80516 10.03544 1.339531 
14.13366 
1 1 1 11  -11 22 o 25.32837 7.061997  91.88726       120.8154 -52.23354      
180.2243 209.5114       162.8164 20.87675 9.478801 29.77999 10.47089 -8.903246 
14.12399 
1 1 1 11  -11 23 o 22.48754 6.801129  44.53827       114.8968 -30.26549      
188.8250 88.51801       144.7852 21.62773 9.770767 23.34735 9.463273 -1.719627 
13.60226 
1 1 1 11  -11 24 o 32.08933 7.868024  251.2394       136.5484 417.3754       
205.4958 119.8872       182.7215 38.59555 11.68356 25.58311 10.54123 13.01245 
15.73605 
1 1 1 11  -11 25 o 24.81454 7.067411  124.0760       98.27122 131.8645       
219.0213 122.1128       109.9611 26.42920 11.24864 23.19989 8.559278 3.229311 
14.13482 
1 1 1 11  -11 26 o 35.62770 7.048518  385.2719       113.1648 246.6019       
216.2475 437.5693       132.8005 29.43405 11.70727 41.82136 7.852784 -12.38731 
14.09704 
1 1 1 11  -11 27 o 20.65559 6.421833  53.03237       106.7546 -67.52425      
209.4449 95.34535       124.0827 19.98051 9.429312 21.33066 8.720539 -1.350151 
12.84367 
1 1 1 11  -11 28 o 57.81834 5.125103  872.7974       117.5874 773.9269       
189.8475 934.3345       149.7752 53.09805 8.516229 62.53864 5.704434 -9.440586 
10.25021 
1 1 1 11  -10 0  o 302.2559 6.954515  19481.13       858.8952 19752.33       
1099.911 19057.36       1374.925 305.3834 8.578934 299.1283 10.94820 6.255157 
13.90903 
1 1 1 11  -10 1  o 95.68099 3.677960  1935.062       144.1032 1959.432       
185.0881 1897.553       229.6235 96.48604 4.569146 94.87595 5.764761 1.610092 
7.355920 
1 1 1 11  -10 2  o 35.81561 5.581770  317.2752       83.59485 421.3581       
104.2037 129.3473       140.0198 44.70987 5.551381 26.92134 9.685392 17.78853 
11.16354 
1 1 1 11  -10 3  o 205.2070 5.865606  8923.599       503.7734 8885.823       
685.3712 8967.993       742.9995 204.8118 7.970619 205.6023 8.607589 
-0.7905579     11.73121 
1 1 1 11  -10 4  o 120.2440 4.095713  3043.199       199.2196 3079.670       
330.0477 3022.295       249.8737 120.7272 6.511672 119.7607 4.969667 0.9665298 
8.191426 
1 1 1 11  -10 5  o 153.6608 5.237334  5066.118       329.8917 4680.898       
514.7480 5334.620       429.7472 148.4680 8.258153 158.8537 6.443723 -10.38570 
10.47467 
1 1 1 11  -10 6  o 187.6292 6.369002  7523.117       479.9117 7427.676       
802.5400 7576.244       598.7649 186.2831 10.26158 188.9753 7.546966 -2.692215 
12.73800 
1 1 1 11  -10 7  o 176.6771 6.946592  6619.272       510.5210 6238.334       
670.4554 7144.925       787.5750 170.8499 9.347083 182.5042 10.27874 -11.65428 
13.89318 
1 1 1 11  -10 8  o 113.4597 4.289310  2714.222       201.9638 2655.104       
264.9093 2796.277       312.0965 112.0562 5.630958 114.8631 6.471864 -2.806877 
8.578620 
1 1 1 11  -10 9  o 191.7095 7.842593  7942.032       627.9855 7831.564       
844.0831 8078.980       939.8225 190.4916 10.55433 192.9274 11.60307 -2.435822 
15.68519 
1 1 1 11  -10 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -10 11 o 33.93271 6.798127  169.7493       124.8609 501.0137       
193.0391 -68.53279      163.7207 47.34648 10.01898 20.51894 9.191200 26.82754 
13.59625 
1 1 1 11  -10 12 o 57.48857 5.377408  705.1281       129.2372 624.1721       
180.8002 789.7087       184.8034 54.06901 7.964739 60.90813 7.226962 -6.839123 
10.75482 
1 1 1 11  -10 13 o 45.09163 6.394844  471.4463       117.8892 260.4453       
172.7091 655.5237       161.3145 34.66473 10.75540 55.51853 6.920803 -20.85380 
12.78969 
1 1 1 11  -10 14 o 142.9691 5.109029  4357.719       305.9995 4343.238       
447.1900 4370.468       419.6216 142.6723 7.465754 143.2658 6.976478 
-0.5935822     10.21806 
1 1 1 11  -10 15 o 135.6123 5.042580  3914.935       285.1844 4040.454       
431.6225 3817.682       379.9282 137.4175 7.481406 133.8071 6.763062 3.610336 
10.08516 
1 1 1 11  -10 16 o 106.3912 5.094003  2328.407       217.2450 2762.217       
378.9618 2116.060       265.1363 113.2154 7.972799 99.56701 6.342708 13.64842 
10.18801 
1 1 1 11  -10 17 o 86.31742 4.812093  1609.485       173.2498 1496.331       
253.8862 1708.095       237.0081 83.32687 7.257300 89.30798 6.321119 -5.981110 
9.624186 
1 1 1 11  -10 18 o 64.93060 5.403552  934.1288       140.1958 848.2874       
230.8220 984.3075       176.4770 62.15043 8.846147 67.71078 6.207994 -5.560345 
10.80710 
1 1 1 11  -10 19 o 53.30392 5.716076  623.3231       127.8178 658.0034       
182.8395 590.1757       178.7532 54.79192 7.948307 51.81593 8.216966 2.975983 
11.43215 
1 1 1 11  -10 20 o 88.19131 4.671095  1693.632       172.8770 1724.439       
242.5705 1661.833       246.4457 89.06255 6.487298 87.32007 6.722460 1.742485 
9.342190 
1 1 1 11  -10 21 o 49.85246 5.536617  564.8865       112.2310 614.2702       
154.7628 510.1099       162.9941 52.77177 6.985314 46.93315 8.591969 5.838623 
11.07323 
1 1 1 11  -10 22 o 26.34776 7.024798  124.0745       110.8254 37.86212       
155.5694 212.9102       157.9186 22.43338 9.511528 30.26214 10.34031 -7.828758 
14.04960 
1 1 1 11  -10 23 o 48.54406 7.047413  590.6578       141.7790 376.4971       
200.3268 805.5855       200.6853 37.99749 11.54232 59.09063 8.089431 -21.09314 
14.09483 
1 1 1 11  -10 24 f 35.66610 8.256684  337.8372       143.3910 406.7920       
211.1705 278.8418       195.3260 38.58586 11.87689 32.74635 11.47304 5.839516 
16.51337 
1 1 1 11  -10 25 o 24.63619 7.120403  46.17149       101.4364 275.5044       
216.3900 -18.41503      114.8352 31.98529 11.96558 17.28708 7.721748 14.69821 
14.24081 
1 1 1 11  -10 26 o 24.72157 6.869182  62.99664       100.7168 299.0976       
191.6783 -27.05137      118.3753 32.37943 11.36342 17.06371 7.721096 15.31571 
13.73836 
1 1 1 11  -10 27 o 32.16869 7.490069  289.5586       109.9368 325.6508       
211.3999 276.1794       128.7104 32.35954 11.87507 31.97783 9.131667 0.3817062 
14.98014 
1 1 1 11  -10 28 o 20.10325 6.528452  -25.84750      104.5931 161.9397       
216.2644 -83.18224      119.4981 25.19369 10.95812 15.01282 7.099460 10.18087 
13.05690 
1 1 1 11  -10 29 o 50.05729 6.635177  734.8866       122.1857 681.8085       
221.3551 758.1461       146.5319 44.53339 11.69060 55.58119 6.279503 -11.04779 
13.27035 
1 1 1 11  -9  0  o 350.4536 8.256693  26294.30       1191.174 26959.43       
1551.675 25339.87       1858.753 356.3951 10.37027 344.5120 12.85105 11.88318 
16.51339 
1 1 1 11  -9  1  o 225.6254 7.011120  10854.69       611.0140 10944.54       
734.4537 10652.72       1101.163 227.6183 7.685611 223.6326 11.72837 3.985687 
14.02224 
1 1 1 11  -9  2  o 147.0474 5.096320  4566.569       307.4683 4560.043       
489.5009 4570.821       395.1467 146.8700 7.938556 147.2249 6.392905 
-0.3548737     10.19264 
1 1 1 11  -9  3  o 153.3493 5.646211  4973.048       363.4821 4902.644       
510.2905 5045.562       517.8760 152.2479 7.983386 154.4507 7.986511 -2.202713 
11.29242 
1 1 1 11  -9  4  o 221.4119 7.526834  10243.19       658.6658 9873.186       
799.3342 11025.86       1162.563 215.7975 8.822731 227.0264 12.19723 -11.22885 
15.05367 
1 1 1 11  -9  5  o 173.1994 5.266598  6320.154       369.1809 6249.667       
462.9527 6443.270       611.8474 172.0516 6.409128 174.3471 8.358905 -2.295532 
10.53320 
1 1 1 11  -9  6  o 161.5821 5.155623  5476.696       341.9673 5301.382       
436.6280 5754.862       549.9908 158.3912 6.566013 164.7730 7.950425 -6.381882 
10.31125 
1 1 1 11  -9  7  o 140.0228 4.983002  4196.613       288.1333 4451.745       
382.0720 3860.179       438.7452 145.1355 6.270364 134.9100 7.746209 10.22543 
9.966003 
1 1 1 11  -9  8  o 100.2855 4.772223  2108.975       199.4796 1967.276       
263.6516 2298.693       305.0732 96.41393 6.513458 104.1570 6.976484 -7.743073 
9.544447 
1 1 1 11  -9  9  o 50.29164 5.724849  546.5609       117.8466 493.2057       
165.3709 601.6130       167.9801 47.37477 8.634255 53.20851 7.519655 -5.833740 
11.44970 
1 1 1 11  -9  10 o 102.6231 4.754850  2238.728       203.3573 2203.350       
305.3217 2266.936       272.6285 101.8217 7.142304 103.4245 6.278685 -1.602806 
9.509700 
1 1 1 11  -9  11 o 108.9972 7.316905  2529.348       334.8279 0.000000       
0.000000 2529.348       334.8279 ?        ?        108.9972 7.316905 ? ? 
1 1 1 11  -9  12 o 135.0148 5.871064  3900.337       331.9420 3915.462       
454.0980 3882.980       486.4430 135.3893 7.988886 134.6403 8.605537 0.7490234 
11.74213 
1 1 1 11  -9  13 o 69.36104 5.127062  1011.912       147.7373 1107.314       
229.5890 944.4915       193.0051 72.07141 7.587681 66.65066 6.897401 5.420753 
10.25412 
1 1 1 11  -9  14 o 26.22943 7.150884  99.96019       110.1843 107.3480       
172.2387 94.84241       143.3554 27.26511 10.55113 25.19374 9.654755 2.071363 
14.30177 
1 1 1 11  -9  15 o 73.53883 5.185469  1123.970       157.2178 1306.631       
253.0919 1009.198       200.6196 78.22198 7.706737 68.85567 6.939924 9.366310 
10.37094 
1 1 1 11  -9  16 o 68.42261 5.502013  974.0140       154.5323 1140.396       
252.6513 874.5649       195.3300 72.86930 8.258440 63.97591 7.272329 8.893387 
11.00403 
1 1 1 11  -9  17 o 135.5020 5.186675  3966.199       292.3234 4178.559       
394.6403 3708.022       435.1353 139.7834 6.724608 131.2205 7.898481 8.562836 
10.37335 
1 1 1 11  -9  18 o 72.92633 5.080988  1135.930       154.4772 1224.202       
235.7159 1069.478       204.5183 75.31840 7.454333 70.53427 6.906422 4.784126 
10.16198 
1 1 1 11  -9  19 o 26.82715 7.401863  85.18252       127.0106 -23.51198      
177.9227 198.1263       181.3672 22.49429 9.860648 31.16002 11.04164 -8.665731 
14.80373 
1 1 1 11  -9  20 o 32.53695 7.742622  223.9823       129.3702 134.6091       
180.7608 317.8353       185.2355 28.12057 10.82413 36.95334 11.07389 -8.832771 
15.48524 
1 1 1 11  -9  21 o 69.64259 4.987788  1065.837       143.7559 1089.338       
189.5560 1034.023       220.5489 70.81096 6.376143 68.47423 7.671825 2.336731 
9.975575 
1 1 1 11  -9  22 o 79.69226 5.248569  1395.644       174.1852 1531.626       
267.6745 1295.769       229.4008 82.85809 7.694726 76.52643 7.140104 6.331657 
10.49714 
1 1 1 11  -9  23 o 24.58924 6.857154  -24.03210      125.2395 -257.6217      
168.4610 264.5909       187.2570 16.09378 7.829182 33.08469 11.25994 -16.99092 
13.71431 
1 1 1 11  -9  24 o 29.38488 7.372903  188.8925       127.8600 11.20409       
197.5830 316.9126       167.7100 23.42583 10.32679 35.34393 10.52598 -11.91809 
14.74581 
1 1 1 11  -9  25 o 22.21058 6.643453  52.47942       98.81914 82.01727       
182.0641 40.14333       117.6585 24.53940 10.34122 19.88176 8.342719 4.657639 
13.28691 
1 1 1 11  -9  26 o 34.48321 7.147325  267.7128       107.4577 491.8528       
194.3882 169.0766       128.9521 42.57401 10.84319 26.39241 9.314622 16.18159 
14.29465 
1 1 1 11  -9  27 o 65.23221 5.141262  1024.392       125.4685 968.7946       
231.2066 1047.599       149.3767 62.09927 8.868185 68.36515 5.204382 -6.265877 
10.28252 
1 1 1 11  -9  28 o 28.45199 7.532551  183.9137       111.3309 376.5834       
214.9120 113.2456       130.1565 34.16285 12.02815 22.74114 9.070886 11.42171 
15.06510 
1 1 1 11  -9  29 o 21.82443 6.933558  43.75855       114.9386 197.0015       
228.9975 -7.848040      132.8902 25.93803 11.27890 17.71084 8.067430 8.227190 
13.86712 
1 1 1 11  -8  0  o 45.61793 5.071510  449.6525       91.14356 461.5197       
115.4743 430.0426       148.4395 46.81688 5.874949 44.41897 8.268364 2.397907 
10.14302 
1 1 1 11  -8  1  o 105.4489 3.803980  2284.592       153.7868 2207.808       
181.9132 2476.923       287.9063 102.4709 4.228485 108.4269 6.324631 -5.955978 
7.607959 
1 1 1 11  -8  2  o 258.0295 6.479533  14083.76       701.0248 14175.87       
1018.996 14000.99       965.9288 258.7814 9.379085 257.2777 8.942605 1.503723 
12.95907 
1 1 1 11  -8  3  o 325.3041 10.60731  22550.88       1401.578 22067.93       
1763.435 23379.26       2309.513 321.4802 13.06551 329.1281 16.71385 -7.647980 
21.21463 
1 1 1 11  -8  4  o 70.37368 4.428592  991.2446       126.4130 1253.673       
215.5202 853.6063       156.0819 77.09607 6.658506 63.65129 5.840719 13.44478 
8.857184 
1 1 1 11  -8  5  o 121.0749 4.710568  3072.783       238.5733 3338.352       
356.4282 2857.229       321.1154 125.7748 6.749935 116.3750 6.572380 9.399826 
9.421136 
1 1 1 11  -8  6  o 97.02405 4.469913  1987.953       181.8676 2030.181       
252.9028 1942.728       261.7232 98.10602 6.140151 95.94207 6.497619 2.163948 
8.939827 
1 1 1 11  -8  7  o 186.7871 6.526089  7408.884       511.6028 7152.832       
714.9496 7677.587       732.3972 183.4687 9.281853 190.1056 9.176413 -6.636902 
13.05218 
1 1 1 11  -8  8  o 203.1002 8.139435  8840.674       693.9315 8704.513       
971.0062 8982.808       992.0676 201.5147 11.47721 204.6858 11.54449 -3.171082 
16.27887 
1 1 1 11  -8  9  o 133.1115 5.370361  3785.975       294.4751 3606.385       
457.1057 3913.385       385.0138 130.2471 8.359297 135.9759 6.744277 -5.728851 
10.74072 
1 1 1 11  -8  10 o 116.4954 4.913106  2870.140       238.3881 2821.808       
316.5811 2933.435       362.2856 115.4325 6.532477 117.5584 7.340381 -2.125847 
9.826213 
1 1 1 11  -8  11 f 46.16184 5.729977  469.3065       106.9548 395.6586       
156.9206 533.2047       146.1652 42.20839 9.114289 50.11529 6.946961 -7.906898 
11.45995 
1 1 1 11  -8  12 o 25.66169 6.963022  34.39812       109.9144 218.5711       
183.6155 -68.45292      137.2147 32.82921 11.14991 18.49417 8.343507 14.33504 
13.92604 
1 1 1 11  -8  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -8  14 o 131.7020 5.485330  3639.982       281.2060 3862.685       
509.1753 3542.245       337.3148 134.1760 9.038857 129.2281 6.217268 4.947952 
10.97066 
1 1 1 11  -8  15 o 69.24535 5.105210  1016.282       148.0503 1086.532       
218.9718 957.1266       200.9382 71.42883 7.301899 67.06187 7.136874 4.366959 
10.21042 
1 1 1 11  -8  16 o 161.4219 6.139583  5602.603       414.9608 5845.780       
574.9479 5338.206       599.5088 165.2402 8.287698 157.6037 9.060463 7.636520 
12.27917 
1 1 1 11  -8  17 o 102.0245 5.191571  2216.930       221.6102 2316.907       
329.9279 2134.742       299.1377 104.0600 7.551904 99.98913 7.125894 4.070824 
10.38314 
1 1 1 11  -8  18 o 60.79213 6.137393  779.0300       154.5576 963.3429       
241.9697 652.0042       200.8764 66.71460 8.638955 54.86966 8.720025 11.84494 
12.27479 
1 1 1 11  -8  19 o 58.99071 5.792152  749.2150       142.8040 852.3333       
212.4696 664.2511       192.8619 62.69069 8.072625 55.29073 8.308358 7.399967 
11.58430 
1 1 1 11  -8  20 o 53.55585 5.464822  618.8828       122.3682 552.3127       
165.4594 699.2530       181.8023 50.37838 7.822910 56.73332 7.632771 -6.354939 
10.92964 
1 1 1 11  -8  21 f 60.20268 5.151254  788.9589       128.8510 783.9279       
170.3237 795.6909       197.0242 60.13585 6.746254 60.26952 7.786510 
-0.1336708     10.30251 
1 1 1 11  -8  22 o 27.24013 7.554347  122.6235       125.7407 89.88377       
195.9043 145.5606       163.9742 26.77967 10.95438 27.70059 10.40549 
-0.9209175     15.10869 
1 1 1 11  -8  23 o 32.49987 7.775946  246.7521       125.9919 235.0684       
190.0907 255.9062       168.2589 32.11061 11.31157 32.88913 10.67285 
-0.7785263     15.55189 
1 1 1 11  -8  24 o 54.38488 6.751170  694.1620       149.8271 591.2879       
200.5426 824.1246       225.4048 49.24142 10.04839 59.52834 9.019041 -10.28693 
13.50234 
1 1 1 11  -8  25 o 20.57322 6.441798  -1.980260      106.1750 -49.48691      
185.7862 21.06067       129.3857 21.15288 9.609432 19.99356 8.581717 1.159313 
12.88360 
1 1 1 11  -8  26 o 29.39172 7.301116  215.2010       105.7807 164.2945       
218.4969 230.7851       120.8927 28.33430 11.57597 30.44914 8.900677 -2.114841 
14.60223 
1 1 1 11  -8  27 o 14.99719 5.240145  -214.7530      99.78851 -291.7705      
201.6838 -189.7870      114.8288 17.07082 8.358203 12.92357 6.322732 4.147250 
10.48029 
1 1 1 11  -8  28 o 30.76205 7.498802  230.3882       104.8550 362.8798       
212.0432 187.5038       120.6369 34.56033 11.96865 26.96378 9.037680 7.596548 
14.99760 
1 1 1 11  -8  29 o 48.20393 6.852203  555.8911       116.6015 818.3553       
249.8947 482.8444       131.8325 51.78181 11.76005 44.62606 7.036475 7.155754 
13.70441 
1 1 1 11  -8  30 o 26.90374 7.249682  233.8751       120.9021 127.8313       
209.1562 287.0892       148.1637 23.59481 10.48400 30.21267 10.01585 -6.617853 
14.49936 
1 1 1 11  -7  0  o 183.3014 5.434312  7070.148       351.7791 7056.729       
400.7133 7115.248       734.5920 183.1525 5.211252 183.4503 9.537812 
-0.2978668     10.86862 
1 1 1 11  -7  1  o 38.12873 6.565492  322.7133       107.2801 201.9854       
153.4399 438.1669       150.0509 31.40251 10.19219 44.85496 8.279011 -13.45245 
13.13098 
1 1 1 11  -7  2  o 143.9587 4.982325  4358.418       300.6478 4032.014       
415.2130 4718.160       435.9013 138.2968 7.151215 149.6206 6.939335 -11.32378 
9.964650 
1 1 1 11  -7  3  o 407.7386 12.75578  35983.69       2043.599 35602.80       
3568.975 36169.49       2492.698 404.1037 21.03642 411.3735 14.43292 -7.269775 
25.51157 
1 1 1 11  -7  4  o 68.45113 4.428585  986.8837       127.2216 1025.531       
181.4154 949.4863       178.4582 69.77214 6.193171 67.13011 6.331989 2.642029 
8.857169 
1 1 1 11  -7  5  o 187.7336 6.575170  7467.133       517.8277 7270.298       
740.5207 7655.483       724.3839 185.2724 9.520230 190.1949 9.071750 -4.922440 
13.15034 
1 1 1 11  -7  6  o 85.53213 4.282351  1508.532       151.9078 1333.541       
196.9986 1765.203       238.5860 79.55419 5.898222 91.51006 6.210079 -11.95587 
8.564701 
1 1 1 11  -7  7  o 187.2775 6.818682  7427.951       535.4525 6952.370       
739.3547 7952.517       776.4983 180.9682 9.731318 193.5868 9.554013 -12.61861 
13.63736 
1 1 1 11  -7  8  o 64.75228 4.832645  888.6160       130.7730 849.3085       
191.7868 922.7726       178.7795 63.38693 7.206760 66.11763 6.440530 -2.730698 
9.665290 
1 1 1 11  -7  9  o 27.97808 6.935702  146.6377       102.6098 90.10997       
155.1985 190.5361       136.7670 25.78036 10.00753 30.17581 9.605475 -4.395447 
13.87140 
1 1 1 11  -7  10 o 195.5656 6.025705  8162.826       487.8692 7922.842       
748.9724 8339.698       642.9928 192.8403 9.251006 198.2908 7.723688 -5.450409 
12.05141 
1 1 1 11  -7  11 o 83.45070 4.486793  1475.649       156.7876 1603.464       
222.3455 1349.237       221.1219 87.07698 6.081996 79.82441 6.598073 7.252571 
8.973586 
1 1 1 11  -7  12 o 121.2997 4.643150  2989.729       220.4453 2781.505       
263.3388 3477.359       402.9898 114.7175 5.467719 127.8819 7.505958 -13.16435 
9.286300 
1 1 1 11  -7  13 o 76.23119 4.802486  1207.737       152.0357 1032.731       
198.8624 1453.926       235.8634 69.72794 6.793084 82.73444 6.790399 -13.00650 
9.604973 
1 1 1 11  -7  14 o 202.7122 11.50247  8939.095       978.9268 0.000000       
0.000000 8939.095       978.9268 ?        ?        202.7122 11.50247 ? ? 
1 1 1 11  -7  15 o 70.64546 4.792027  1048.552       140.4946 1138.460       
219.0721 985.7404       183.1082 73.14141 7.134192 68.14951 6.399795 4.991905 
9.584053 
1 1 1 11  -7  16 f 179.4864 5.574504  6867.085       419.4063 7042.240       
613.4337 6713.342       574.7175 181.5699 8.047200 177.4028 7.716407 4.167160 
11.14901 
1 1 1 11  -7  17 o 100.9375 5.499135  2175.738       232.9969 2207.142       
333.3302 2145.735       325.8132 101.6417 7.811306 100.2332 7.742445 1.408554 
10.99827 
1 1 1 11  -7  18 o 41.23094 7.720665  385.9643       134.1186 366.9286       
213.8244 398.3109       172.2056 40.41251 11.84502 42.04937 9.906062 -1.636856 
15.44133 
1 1 1 11  -7  19 f 146.7996 5.398265  4628.561       332.3857 4362.989       
460.8902 4916.384       479.8093 142.3830 7.710106 151.2162 7.557732 -8.833160 
10.79653 
1 1 1 11  -7  20 o 91.28505 4.707949  1770.465       177.5605 1687.819       
229.2396 1894.407       280.7293 88.80149 6.148801 93.76862 7.131014 -4.967125 
9.415897 
1 1 1 11  -7  21 o 55.09273 6.682809  721.7643       143.2731 984.4111       
197.1665 427.9145       208.5498 67.48367 6.959139 42.70179 11.41097 24.78188 
13.36562 
1 1 1 11  -7  22 o 44.20853 7.533392  463.7509       138.6421 515.8558       
190.7512 405.4008       201.8591 47.10695 9.952888 41.31013 11.31141 5.796818 
15.06678 
1 1 1 11  -7  23 o 67.99162 5.141530  1011.021       145.3008 830.8138       
197.9101 1221.732       214.0052 61.27105 7.693673 74.71219 6.822663 -13.44114 
10.28306 
1 1 1 11  -7  24 o 52.97754 6.979353  669.8124       149.9476 724.0204       
201.8295 603.0304       224.0177 56.44965 8.516171 49.50543 11.05985 6.944225 
13.95871 
1 1 1 11  -7  25 o 34.17175 7.363971  286.2061       107.4350 273.3022       
214.7993 290.5111       124.0688 33.49869 12.00159 34.84480 8.536628 -1.346115 
14.72794 
1 1 1 11  -7  26 o 32.49071 7.513191  277.3065       124.2359 142.6672       
217.4932 342.5145       151.3597 28.02979 11.51672 36.95163 9.651805 -8.921831 
15.02638 
1 1 1 11  -7  27 f 72.09375 4.781624  1149.885       127.1531 1274.532       
251.6848 1107.168       147.3389 73.24891 8.184214 70.93860 4.947157 2.310310 
9.563249 
1 1 1 11  -7  28 o 31.56493 5.995831  298.8818       98.58664 -41.17594      
216.0729 388.2865       110.7910 22.02728 10.12816 41.10258 6.420316 -19.07529 
11.99166 
1 1 1 11  -7  29 o 28.71960 7.561841  195.1074       105.3653 314.5485       
227.1670 162.3687       118.9322 32.07853 12.19410 25.36067 8.945932 6.717855 
15.12368 
1 1 1 11  -7  30 o 23.50872 6.425280  121.3081       108.9618 -160.4147      
204.2621 233.3604       128.8212 18.27744 8.827000 28.74000 9.339217 -10.46256 
12.85056 
1 1 1 11  -7  31 o 43.79739 7.301534  633.2427       132.0684 519.6827       
235.7599 685.1747       159.4317 36.06041 12.60753 51.53437 7.368835 -15.47396 
14.60307 
1 1 1 11  -6  0  o 113.1423 3.324021  2680.924       150.8994 2656.166       
187.1664 2726.905       255.0699 112.4244 3.965412 113.8601 5.335913 -1.435707 
6.648042 
1 1 1 11  -6  1  o 172.6333 6.368757  6277.849       456.2327 6389.460       
703.4231 6196.805       599.4081 173.8818 9.635708 171.3847 8.330509 2.497040 
12.73751 
1 1 1 11  -6  2  o 349.3162 12.96945  26258.52       1901.505 26084.02       
2715.796 26426.33       2663.243 348.0639 18.58486 350.5685 18.09502 -2.504669 
25.93890 
1 1 1 11  -6  3  o 176.8313 6.459686  6586.739       477.6223 6401.146       
643.2662 6814.769       713.0278 174.1042 8.800405 179.5583 9.458492 -5.454193 
12.91937 
1 1 1 11  -6  4  o 180.5187 6.068355  6870.608       458.2638 7006.396       
680.2502 6757.777       620.0859 182.1090 8.897304 178.9284 8.254556 3.180603 
12.13671 
1 1 1 11  -6  5  o 27.37061 7.154016  117.8117       112.0532 177.5634       
152.1901 47.07381       165.5911 30.03100 10.15103 24.71021 10.08347 5.320787 
14.30803 
1 1 1 11  -6  6  o 104.5498 4.376980  2299.838       188.7935 2287.269       
244.9366 2318.236       296.3347 104.2322 5.597225 104.8675 6.730742 
-0.6352539     8.753960 
1 1 1 11  -6  7  o 41.16236 6.473165  373.3884       114.2659 206.5955       
162.2965 537.3342       160.9053 31.87911 10.48266 50.44563 7.597452 -18.56652 
12.94633 
1 1 1 11  -6  8  o 92.86292 4.161120  1779.098       159.1631 2010.278       
256.4139 1634.191       203.0073 97.64373 6.254869 88.08210 5.489655 9.561630 
8.322241 
1 1 1 11  -6  9  o 144.8967 5.596488  4411.429       336.2428 4635.618       
523.3351 4253.820       438.7956 147.9329 8.426285 141.8605 7.367527 6.072388 
11.19298 
1 1 1 11  -6  10 o 165.7509 7.126794  5857.282       495.5236 5621.945       
703.9433 6088.432       697.6514 162.3881 10.32535 169.1137 9.826089 -6.725647 
14.25359 
1 1 1 11  -6  11 o 185.6498 6.092767  7303.194       456.9155 7241.812       
571.9874 7411.433       759.5400 184.8860 7.368913 186.4137 9.704966 -1.527634 
12.18553 
1 1 1 11  -6  12 o 166.9299 6.800339  5885.850       470.5162 5544.322       
611.2500 6382.491       737.1019 161.2329 9.029969 172.6268 10.17045 -11.39394 
13.60068 
1 1 1 11  -6  13 o 126.8114 6.243494  3427.876       332.0289 3605.491       
483.5278 3269.399       456.7363 129.9039 8.865846 123.7189 8.793273 6.185028 
12.48699 
1 1 1 11  -6  14 o 116.6218 5.628982  2824.630       266.4341 3197.882       
447.8470 2620.153       331.4750 122.2389 8.726524 111.0047 7.112632 11.23417 
11.25796 
1 1 1 11  -6  15 o 44.37224 6.616958  441.2688       121.8980 304.8099       
175.0108 569.8484       169.8831 37.07528 10.66797 51.66921 7.831402 -14.59393 
13.23392 
1 1 1 11  -6  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -6  17 o 113.3606 6.062252  2752.582       288.2889 2722.752       
414.7027 2780.480       401.0445 112.7162 8.763378 114.0050 8.378948 -1.288841 
12.12450 
1 1 1 11  -6  18 o 93.81247 4.800558  1876.544       188.3251 1820.706       
276.4718 1924.881       257.2318 92.44434 7.123469 95.18060 6.437204 -2.736252 
9.601115 
1 1 1 11  -6  19 o 44.11459 7.746376  438.6080       141.3920 462.6021       
219.6296 421.6252       184.7743 45.04812 11.55687 43.18105 10.31814 1.867065 
15.49275 
1 1 1 11  -6  20 o 69.49785 5.645885  986.0114       160.2341 778.2078       
201.3800 1344.595       264.5361 60.05468 7.987126 78.94101 7.981846 -18.88633 
11.29177 
1 1 1 11  -6  21 o 129.2654 5.410201  3599.126       280.0966 3556.179       
346.9473 3679.506       474.6455 128.7453 6.418792 129.7855 8.710924 -1.040253 
10.82040 
1 1 1 11  -6  22 o 53.35835 6.465517  636.7574       141.6146 646.8443       
207.1748 627.9109       194.0185 53.27475 9.614330 53.44195 8.647329 
-0.1671982     12.93103 
1 1 1 11  -6  23 o 156.0902 5.607999  5349.565       353.3853 5407.777       
585.9487 5316.287       443.0242 155.7588 8.960414 156.4217 6.746080 
-0.6629028     11.21600 
1 1 1 11  -6  24 o 27.26979 6.472196  168.2816       99.06774 -103.9447      
208.5701 247.5921       112.5778 21.85787 10.00847 32.68170 8.209013 -10.82383 
12.94439 
1 1 1 11  -6  25 o 24.74087 6.870998  105.1766       97.96043 78.64198       
186.0555 115.3536       115.2248 25.47947 10.57876 24.00228 8.771111 1.477194 
13.74200 
1 1 1 11  -6  26 o 27.42747 7.042524  106.9142       97.75256 314.8179       
193.2784 35.45499       113.3134 35.18139 11.43954 19.67355 8.217389 15.50784 
14.08505 
1 1 1 11  -6  27 o 18.73503 5.926046  -20.10989      94.21787 -142.7484      
177.3894 28.08235       111.1995 18.44201 8.695776 19.02805 8.053297 
-0.5860367     11.85209 
1 1 1 11  -6  28 o 29.84120 7.058872  221.7502       97.45384 233.0283       
186.6822 217.5254       114.2582 30.17351 11.14834 29.50890 8.661712 0.6646061 
14.11774 
1 1 1 11  -6  29 o 29.48341 6.351352  256.0615       99.95908 -43.51705      
224.8996 329.8106       111.5866 22.20904 10.25923 36.75778 7.490457 -14.54874 
12.70270 
1 1 1 11  -6  30 o 34.41129 7.700351  307.5152       107.2351 448.4898       
239.1993 272.0553       119.9660 36.74584 12.71327 32.07673 8.692199 4.669117 
15.40070 
1 1 1 11  -6  31 o 44.00926 7.330369  554.7191       124.7072 654.8346       
229.1664 512.5991       148.6432 44.24783 12.02412 43.77069 8.387959 0.4771309 
14.66074 
1 1 1 11  -6  32 o 19.08262 6.379841  -33.90096      132.1846 -266.9252      
273.6771 36.99991       150.9606 18.70417 9.270767 19.46108 8.767118 
-0.7569103     12.75968 
1 1 1 11  -5  0  o 203.5766 6.931947  8725.145       584.6244 8935.673       
908.1082 8576.129       764.0069 205.5691 10.52206 201.5840 9.027390 3.985077 
13.86389 
1 1 1 11  -5  1  o 447.5071 14.93900  43384.11       2780.307 42550.41       
4204.839 44031.77       3706.110 442.7307 22.62199 452.2834 19.51770 -9.552643 
29.87800 
1 1 1 11  -5  2  o 60.57997 4.904979  773.9571       124.5068 753.2630       
180.3694 792.7932       172.0813 59.79819 7.184487 61.36174 6.679701 -1.563553 
9.809958 
1 1 1 11  -5  3  o 482.9830 15.70950  50683.27       3181.809 49987.31       
4590.690 51326.69       4414.022 479.3542 22.81091 486.6118 21.60593 -7.257629 
31.41900 
1 1 1 11  -5  4  o 24.92989 6.857551  74.01238       105.5930 15.43041       
153.0953 127.1673       145.8315 22.69516 9.519568 27.16461 9.873290 -4.469452 
13.71510 
1 1 1 11  -5  5  o 246.3185 7.351396  12667.07       725.3714 12275.88       
893.8192 13421.72       1241.448 241.1061 8.830039 251.5310 11.75596 -10.42494 
14.70279 
1 1 1 11  -5  6  o 292.1049 10.29099  18225.83       1245.709 18244.30       
1636.815 18200.40       1920.360 292.6856 13.32046 291.5241 15.69023 1.161530 
20.58199 
1 1 1 11  -5  7  o 114.3003 4.763662  2667.822       219.2982 3052.471       
376.4536 2470.244       269.8044 120.2908 7.454183 108.3098 5.933385 11.98106 
9.527324 
1 1 1 11  -5  8  o 234.2848 7.680420  11783.06       718.5640 11225.38       
1205.078 12090.74       895.0983 229.5011 12.50696 239.0685 8.918041 -9.567444 
15.36084 
1 1 1 11  -5  9  o 289.2974 8.196054  17916.38       981.8384 17240.74       
1502.221 18420.24       1297.273 284.1345 12.59305 294.4603 10.49363 -10.32578 
16.39211 
1 1 1 11  -5  10 o 93.06172 4.633825  1833.947       180.2621 1648.596       
256.1161 2015.901       253.7584 88.35890 6.904109 97.76453 6.182443 -9.405632 
9.267650 
1 1 1 11  -5  11 o 322.5566 11.02544  22637.57       1490.282 21362.70       
2125.059 23871.34       2090.520 313.2025 16.16095 331.9108 15.00217 -18.70834 
22.05088 
1 1 1 11  -5  12 o 180.5825 6.981930  6902.389       524.6589 6568.384       
690.7198 7357.932       806.6580 175.6039 9.368907 185.5611 10.35437 -9.957184 
13.96386 
1 1 1 11  -5  13 o 104.7416 4.695274  2315.568       205.8091 2408.945       
305.7549 2238.210       278.2951 106.6405 6.829240 102.8426 6.445455 3.797867 
9.390549 
1 1 1 11  -5  14 o 263.6506 9.876591  15250.05       1092.167 15861.35       
1536.226 14625.31       1553.026 269.2973 13.58765 258.0039 14.33751 11.29343 
19.75318 
1 1 1 11  -5  15 o 86.18266 4.802243  1563.484       171.3273 1660.467       
268.7673 1497.101       222.3625 88.34364 7.246399 84.02168 6.303638 4.321960 
9.604486 
1 1 1 11  -5  16 o 96.25867 4.604275  1999.154       182.9847 1664.007       
267.0073 2295.955       251.2683 88.40698 7.193789 104.1104 5.748635 -15.70338 
9.208550 
1 1 1 11  -5  17 o 63.97712 6.918791  870.3088       185.8377 0.000000       
0.000000 870.3088       185.8377 ?        ?        63.97712 6.918791 ? ? 
1 1 1 11  -5  18 o 130.8801 5.764135  3668.651       315.2256 3746.141       
428.3179 3577.083       465.6054 132.5173 7.698652 129.2428 8.580896 3.274475 
11.52827 
1 1 1 11  -5  19 o 116.4314 5.112927  2894.870       248.9869 3203.524       
354.0600 2592.886       350.2129 122.6675 6.874930 110.1952 7.569903 12.47227 
10.22585 
1 1 1 11  -5  20 o 88.33244 4.618909  1655.216       170.2305 1592.661       
226.6854 1736.114       257.7868 86.48716 6.242995 90.17772 6.808986 -3.690559 
9.237818 
1 1 1 11  -5  21 o 54.53684 5.785328  627.4610       130.8020 531.4164       
170.1279 766.3147       204.5585 49.56102 8.176290 59.51266 8.187086 -9.951633 
11.57066 
1 1 1 11  -5  22 o 91.58744 4.835818  1809.036       185.6311 1912.758       
261.2124 1703.208       263.8517 94.32420 6.596168 88.85069 7.073267 5.473511 
9.671636 
1 1 1 11  -5  23 o 55.60136 6.189018  698.3159       135.6970 949.0900       
196.7937 471.0019       187.3626 66.14787 7.086247 45.05484 10.14894 21.09304 
12.37804 
1 1 1 11  -5  24 o 118.9660 4.716362  3108.469       202.3872 3015.703       
403.5138 3139.651       233.9407 116.6744 8.237663 121.2576 4.595342 -4.583275 
9.432723 
1 1 1 11  -5  25 o 55.66666 5.776740  692.6403       117.8035 724.2962       
222.4773 680.3065       138.8693 55.39434 9.925650 55.93899 5.913067 
-0.5446434     11.55348 
1 1 1 11  -5  26 o 36.53024 6.785419  357.1801       113.0973 141.7373       
213.4873 441.2326       133.3463 28.62105 11.53628 44.43944 7.147161 -15.81839 
13.57084 
1 1 1 11  -5  27 o 39.69115 7.157364  383.1704       110.3445 421.5672       
211.6835 368.8444       129.3012 39.96467 11.80855 39.41763 8.091330 0.5470428 
14.31473 
1 1 1 11  -5  28 o 65.18563 4.831006  943.9746       123.4563 1038.540       
221.0138 901.0856       148.8424 66.63369 7.900355 63.73757 5.562272 2.896118 
9.662012 
1 1 1 11  -5  29 o 34.76250 6.990608  213.0089       100.7852 603.4753       
214.3266 102.1529       114.1993 47.13129 11.01796 22.39371 8.606913 24.73758 
13.98122 
1 1 1 11  -5  30 o 24.71387 6.784359  143.4197       102.3676 -51.01335      
234.0414 189.4166       113.8340 22.25012 10.34972 27.17761 8.774591 -4.927488 
13.56872 
1 1 1 11  -5  31 o 56.18280 6.453427  834.6265       132.1348 813.5954       
241.3137 843.6323       157.9118 52.48780 11.27513 59.87780 6.281592 -7.389999 
12.90685 
1 1 1 11  -5  32 o 18.39208 6.284276  -98.09885      132.6676 -180.2593      
267.2798 -71.23890      152.8225 19.73958 9.654817 17.04459 8.046925 2.694992 
12.56855 
1 1 1 11  -4  0  o 346.6691 18.12373  25747.18       2637.799 0.000000       
0.000000 25747.18       2637.799 ?        ?        346.6691 18.12373 ? ? 
1 1 1 11  -4  1  o 241.1320 9.124699  12269.60       923.7455 0.000000       
0.000000 12269.60       923.7455 ?        ?        241.1320 9.124699 ? ? 
1 1 1 11  -4  2  o 270.7468 12.54164  15542.03       1425.597 0.000000       
0.000000 15542.03       1425.597 ?        ?        270.7468 12.54164 ? ? 
1 1 1 11  -4  3  o 217.9904 8.756007  10024.97       801.3505 0.000000       
0.000000 10024.97       801.3505 ?        ?        217.9904 8.756007 ? ? 
1 1 1 11  -4  4  o 137.6720 7.799646  3994.892       450.8163 0.000000       
0.000000 3994.892       450.8163 ?        ?        137.6720 7.799646 ? ? 
1 1 1 11  -4  5  o 227.6320 8.300032  10985.39       792.8569 11338.47       
1119.527 10630.11       1123.019 231.3414 11.52663 223.9225 11.94567 7.418884 
16.60006 
1 1 1 11  -4  6  o 307.4376 10.41576  20209.91       1338.823 20829.24       
1830.080 19496.82       1963.742 312.7715 13.93683 302.1038 15.48280 10.66769 
20.83152 
1 1 1 11  -4  7  o 112.3035 4.306078  2643.083       202.5097 2486.406       
274.6847 2829.642       299.7361 108.6779 6.020245 115.9290 6.158400 -7.251129 
8.612157 
1 1 1 11  -4  8  o 213.5847 6.993480  9655.889       627.0335 9866.121       
890.8223 9449.447       882.7514 215.8999 9.827876 211.2695 9.952281 4.630402 
13.98696 
1 1 1 11  -4  9  o 86.68074 4.518309  1566.552       163.5517 1783.671       
246.1607 1394.959       218.8369 92.00164 6.373004 81.35984 6.406659 10.64180 
9.036617 
1 1 1 11  -4  10 o 347.1951 12.87373  26343.44       1796.680 25680.92       
2982.098 26720.97       2251.118 341.9530 20.77192 352.4372 15.21380 -10.48416 
25.74747 
1 1 1 11  -4  11 o 69.14659 5.134740  973.8478       143.5295 885.5106       
177.0548 1143.169       245.1270 64.78104 6.509999 73.51215 7.942426 -8.731102 
10.26948 
1 1 1 11  -4  12 o 75.45781 4.746458  1177.629       145.2018 1298.498       
243.7231 1111.123       180.7885 78.34354 7.409938 72.57207 5.933655 5.771477 
9.492915 
1 1 1 11  -4  13 o 78.72548 4.926444  1295.571       161.1764 1421.502       
250.1917 1206.231       210.7302 81.92699 7.273893 75.52397 6.646041 6.403015 
9.852887 
1 1 1 11  -4  14 o 186.2068 6.637694  7488.790       476.1538 7186.358       
856.1030 7624.249       572.9497 182.7995 11.15507 189.6143 7.197250 -6.814804 
13.27539 
1 1 1 11  -4  15 o 97.99594 4.521936  2032.593       185.9363 1951.632       
258.1616 2119.857       268.0230 95.96880 6.407410 100.0231 6.382532 -4.054276 
9.043872 
1 1 1 11  -4  16 o 128.7009 5.726460  3535.258       309.1893 3351.377       
432.9324 3726.678       441.7195 125.2501 8.233094 132.1516 7.961504 -6.901527 
11.45292 
1 1 1 11  -4  17 o 158.9747 5.936591  5407.000       396.0088 5372.978       
550.2553 5443.555       570.3681 158.5013 8.268989 159.4480 8.520344 
-0.9466858     11.87318 
1 1 1 11  -4  18 o 81.80858 4.745419  1414.985       162.4417 1265.301       
221.9521 1587.650       238.3813 77.15125 6.852315 86.46591 6.566718 -9.314659 
9.490838 
1 1 1 11  -4  19 o 205.4445 7.767158  9008.165       669.9395 9008.165       
669.9395 0.000000       0.000000 205.4445 7.767158 ?        ?        ? ? 
1 1 1 11  -4  20 o 88.09802 4.552116  1652.111       167.2062 1667.037       
224.3246 1633.451       250.8178 88.61506 6.029626 87.58099 6.821339 1.034073 
9.104233 
1 1 1 11  -4  21 o 55.17245 5.917831  656.7974       136.6463 592.9893       
191.6979 722.7106       194.8344 52.38438 8.716387 57.96053 8.006716 -5.576145 
11.83566 
1 1 1 11  -4  22 o 101.2060 4.517293  2194.164       191.7107 2316.125       
271.1918 2072.333       271.0481 104.0742 6.206608 98.33768 6.565192 5.736565 
9.034586 
1 1 1 11  -4  23 o 191.8231 7.910201  8260.573       635.8920 8722.256       
934.2625 7862.090       867.9668 196.6497 11.31610 186.9965 11.05582 9.653259 
15.82040 
1 1 1 11  -4  24 o 127.2837 5.031912  3510.187       247.0030 3550.558       
448.3303 3492.592       295.9732 126.9390 8.412482 127.6284 5.523648 
-0.6894684     10.06382 
1 1 1 11  -4  25 o 31.60401 6.697897  115.6599       104.4891 479.7288       
197.8420 -25.17655      123.0508 44.82880 10.65452 18.37922 8.119643 26.44958 
13.39579 
1 1 1 11  -4  26 o 56.56499 5.142169  714.1523       110.0753 700.4331       
203.8327 719.8004       130.7856 55.48651 8.749990 57.64346 5.404193 -2.156952 
10.28434 
1 1 1 11  -4  27 f 33.61037 6.829396  284.6607       98.80598 219.1763       
186.6934 310.1391       116.4518 30.86545 11.17586 36.35530 7.852566 -5.489853 
13.65879 
1 1 1 11  -4  28 o 85.75467 4.138341  1640.379       142.4091 1589.641       
236.3498 1669.299       178.4369 84.00082 6.701820 87.50851 4.856859 -3.507690 
8.276683 
1 1 1 11  -4  29 o 21.03530 6.553032  19.83874       104.3768 -17.29000      
198.7614 33.97635       122.6493 22.23333 10.03551 19.83727 8.429558 2.396057 
13.10606 
1 1 1 11  -4  30 o 35.48775 7.237515  328.8901       105.1624 363.6763       
207.4243 316.8552       122.0050 35.40827 11.85077 35.56722 8.311778 
-0.1589470     14.47503 
1 1 1 11  -4  31 o 51.67947 6.570794  697.4673       126.6926 680.2252       
227.3271 705.2354       152.5862 48.54649 11.34617 54.81245 6.630664 -6.265957 
13.14159 
1 1 1 11  -4  32 o 37.93388 7.706738  501.5980       139.3075 311.2410       
287.6636 559.9175       159.2236 29.89375 12.81235 45.97400 8.568481 -16.08025 
15.41348 
1 1 1 11  -4  33 o 31.65493 8.037367  319.9445       121.5788 489.4091       
248.2000 266.4454       139.4555 34.12581 12.80531 29.18405 9.717055 4.941757 
16.07473 
1 1 1 11  -3  0  o 112.5618 4.964593  2663.650       234.6138 2663.650       
234.6138 0.000000       0.000000 112.5618 4.964593 ?        ?        ? ? 
1 1 1 11  -3  1  o 223.8060 7.893588  10554.31       741.6947 10554.31       
741.6947 0.000000       0.000000 223.8060 7.893588 ?        ?        ? ? 
1 1 1 11  -3  2  o 184.7835 9.087334  7203.834       704.9831 7203.834       
704.9831 0.000000       0.000000 184.7835 9.087334 ?        ?        ? ? 
1 1 1 11  -3  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -3  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -3  5  o 288.8355 13.12210  17708.58       1591.229 0.000000       
0.000000 17708.58       1591.229 ?        ?        288.8355 13.12210 ? ? 
1 1 1 11  -3  6  o 126.1541 6.709253  3351.002       355.3486 0.000000       
0.000000 3351.002       355.3486 ?        ?        126.1541 6.709253 ? ? 
1 1 1 11  -3  7  o 382.3664 11.43778  31352.52       1788.830 30864.66       
2859.020 31666.37       2293.135 379.0953 17.96345 385.6375 14.16353 -6.542114 
22.87556 
1 1 1 11  -3  8  o 265.2406 9.854245  14819.77       1084.067 13962.16       
1410.838 16056.02       1693.886 256.2023 13.11642 274.2789 14.71000 -18.07654 
19.70849 
1 1 1 11  -3  9  o 169.6675 7.330420  5958.073       501.1399 5626.927       
618.9138 6588.521       853.9753 163.1622 9.035074 176.1728 11.54589 -13.01062 
14.66084 
1 1 1 11  -3  10 o 142.1368 5.511274  4134.967       304.9004 3932.893       
363.8292 4611.668       558.8128 136.6186 6.343205 147.6550 9.014451 -11.03639 
11.02255 
1 1 1 11  -3  11 o 80.43568 4.239758  1366.088       142.8665 1421.030       
198.3582 1306.863       205.9426 82.13183 5.752541 78.73952 6.229805 3.392303 
8.479516 
1 1 1 11  -3  12 o 279.2859 7.388774  16591.78       866.3028 16324.66       
1218.472 16864.82       1231.913 277.0031 10.47736 281.5688 10.42117 -4.565613 
14.77755 
1 1 1 11  -3  13 o 141.2323 4.750059  4205.979       280.5373 4123.860       
378.6089 4305.954       417.7524 139.7419 6.453349 142.7226 6.971838 -2.980682 
9.500117 
1 1 1 11  -3  14 o 153.5260 5.923184  5022.744       375.5515 5097.379       
491.0951 4917.622       582.8292 155.0762 7.542955 151.9758 9.134563 3.100327 
11.84637 
1 1 1 11  -3  15 o 179.7978 7.170711  6891.407       536.4136 7184.307       
822.1333 6674.285       707.8392 182.8981 10.70666 176.6975 9.541689 6.200638 
14.34142 
1 1 1 11  -3  16 o 48.07009 6.532433  511.1776       126.8291 500.1614       
183.7453 521.2021       175.2808 47.50016 9.549726 48.64001 8.915910 -1.139851 
13.06487 
1 1 1 11  -3  17 o 49.12206 6.538893  532.4211       131.0192 423.2443       
185.4723 641.1678       185.1066 43.44740 10.30960 54.79671 8.046155 -11.34931 
13.07779 
1 1 1 11  -3  18 o 93.90445 4.781769  1885.406       186.5941 1786.430       
280.3424 1964.129       250.0208 91.58405 7.291049 96.22485 6.188850 -4.640793 
9.563538 
1 1 1 11  -3  19 o 37.77707 7.047138  312.0174       114.7438 234.3092       
155.0590 406.0785       170.5960 32.92997 10.18575 42.62416 9.741616 -9.694183 
14.09428 
1 1 1 11  -3  20 o 85.22742 7.391876  1548.349       264.4922 0.000000       
0.000000 1548.349       264.4922 ?        ?        85.22742 7.391876 ? ? 
1 1 1 11  -3  21 o 80.94072 5.591546  1395.784       189.4697 1273.699       
257.6200 1539.622       279.6327 77.09612 7.959177 84.78531 7.855764 -7.689186 
11.18309 
1 1 1 11  -3  22 o 78.33510 5.601090  1327.789       183.1982 1404.565       
251.4452 1240.924       267.4583 80.88528 7.404485 75.78491 8.406096 5.100372 
11.20218 
1 1 1 11  -3  23 o 47.76035 7.253220  519.5245       141.2737 453.6716       
194.2190 593.5168       205.8721 44.39464 10.55981 51.12606 9.946211 -6.731419 
14.50644 
1 1 1 11  -3  24 o 72.58502 4.837387  1112.160       135.0408 1203.293       
250.5593 1074.851       160.3176 74.24520 8.038280 70.92484 5.383986 3.320366 
9.674774 
1 1 1 11  -3  25 o 132.8998 5.599178  3905.845       276.9437 3824.690       
527.1868 3936.777       325.4705 130.5150 9.621113 135.2847 5.730389 -4.769730 
11.19836 
1 1 1 11  -3  26 o 51.35292 5.266668  563.8135       104.6996 632.5628       
193.1739 535.2173       124.5859 53.04204 8.674595 49.66381 5.975164 3.378227 
10.53334 
1 1 1 11  -3  27 o 49.32351 6.283713  546.7132       109.6247 606.7174       
222.5064 527.4794       125.9750 49.59299 10.97834 49.05404 6.116890 0.5389519 
12.56743 
1 1 1 11  -3  28 o 74.37608 4.537549  1215.902       134.2785 1277.023       
231.6225 1184.962       164.7975 75.11893 7.344334 73.63322 5.330867 1.485710 
9.075097 
1 1 1 11  -3  29 f 63.78875 5.213524  882.0070       118.5430 1041.967       
250.1156 835.6650       134.6238 65.91901 9.037560 61.65848 5.200562 4.260536 
10.42705 
1 1 1 11  -3  30 o 26.34315 7.242799  154.1233       110.8540 118.4404       
206.2780 168.6132       131.4483 26.20012 11.02264 26.48617 9.398613 
-0.2860546     14.48560 
1 1 1 11  -3  31 o 24.21272 7.277219  87.86263       114.7291 153.0896       
228.7960 65.95190       132.6060 27.16995 11.52809 21.25549 8.884528 5.914463 
14.55444 
1 1 1 11  -3  32 o 38.67345 7.468678  454.2098       122.5287 375.4896       
236.4285 483.1163       143.2699 33.75130 12.53089 43.59559 8.130281 -9.844288 
14.93736 
1 1 1 11  -3  33 o 24.36702 6.979417  137.2888       134.1903 -187.5986      
243.5076 278.9796       160.8114 19.06297 9.300892 29.67107 10.40877 -10.60810 
13.95883 
1 1 1 11  -2  0  o 128.0186 4.886668  3436.552       261.2765 3575.696       
393.0944 3326.431       349.7018 130.3166 7.184857 125.7207 6.625401 4.595901 
9.773336 
1 1 1 11  -2  1  o 303.9312 8.585561  19592.79       1085.552 19296.56       
1643.120 19822.24       1446.091 301.7046 12.97204 306.1577 11.25049 -4.453033 
17.17112 
1 1 1 11  -2  2  o 154.9906 4.311329  5055.452       280.4307 5134.109       
393.1338 4973.966       400.1367 156.2241 5.993953 153.7571 6.198611 2.467072 
8.622659 
1 1 1 11  -2  3  o 318.4036 9.904799  21507.26       1280.759 21625.16       
2097.453 21437.16       1617.285 318.6321 15.67920 318.1750 12.10714 0.4570618 
19.80960 
1 1 1 11  -2  4  o 69.56770 5.191086  1017.593       151.6159 1017.593       
151.6159 0.000000       0.000000 69.56770 5.191086 ?        ?        ? ? 
1 1 1 11  -2  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -2  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -2  7  o 194.8145 7.174307  7994.271       586.7864 0.000000       
0.000000 7994.271       586.7864 ?        ?        194.8145 7.174307 ? ? 
1 1 1 11  -2  8  o 197.1195 7.776730  8177.384       616.1349 8059.038       
765.1185 8395.704       1039.199 195.3371 9.329643 198.9020 12.44459 -3.564880 
15.55346 
1 1 1 11  -2  9  o 395.6374 16.72699  34280.34       2774.288 34554.84       
3831.802 33977.92       4021.974 397.7841 22.94440 393.4908 24.34590 4.293335 
33.45397 
1 1 1 11  -2  10 o 177.2525 6.675797  6663.638       492.9421 6807.860       
661.5499 6483.604       739.1357 179.5044 8.778261 175.0006 10.06018 4.503860 
13.35159 
1 1 1 11  -2  11 o 108.8578 4.693360  2467.906       211.7920 2680.926       
331.7932 2321.425       275.1379 112.7485 7.009351 104.9671 6.243357 7.781349 
9.386720 
1 1 1 11  -2  12 o 85.55359 4.722471  1535.518       168.8848 1753.073       
248.1951 1347.932       230.4673 91.17812 6.483711 79.92905 6.867928 11.24908 
9.444942 
1 1 1 11  -2  13 o 185.0506 5.952258  7261.113       461.7825 7466.721       
642.2860 7041.107       664.3930 187.8176 8.145415 182.2836 8.681574 5.533981 
11.90452 
1 1 1 11  -2  14 o 180.1090 6.733483  6872.210       503.3724 7090.871       
777.5180 6714.428       660.4702 182.4015 10.15320 177.8165 8.847125 4.584930 
13.46697 
1 1 1 11  -2  15 o 86.78870 4.595756  1614.604       164.1318 1467.803       
251.8198 1723.030       216.4168 83.23848 7.205877 90.33892 5.706070 -7.100441 
9.191512 
1 1 1 11  -2  16 o 184.7418 6.198080  7282.446       457.6373 7270.057       
775.4189 7289.067       566.8942 184.1691 10.02861 185.3146 7.286408 -1.145508 
12.39616 
1 1 1 11  -2  17 o 86.35754 4.630316  1564.503       166.7237 1730.824       
254.6821 1439.776       220.5499 90.30614 6.717414 82.40894 6.374609 7.897202 
9.260632 
1 1 1 11  -2  18 o 31.65058 7.620615  189.5501       122.0040 276.9508       
187.4926 125.3639       160.6746 35.78281 11.22721 27.51836 10.30751 8.264450 
15.24123 
1 1 1 11  -2  19 f 60.53271 5.865891  792.3939       146.6826 724.7149       
222.4412 844.4662       195.1156 58.10401 9.118643 62.96140 7.381400 -4.857395 
11.73178 
1 1 1 11  -2  20 o 89.61490 4.479658  1677.634       167.1302 1922.868       
257.3418 1498.748       219.7908 95.17432 6.440382 84.05548 6.228227 11.11884 
8.959315 
1 1 1 11  -2  21 o 98.80884 5.092191  2077.829       210.6460 2044.936       
286.3567 2116.618       310.9584 98.00665 6.959417 99.61102 7.435600 -1.604362 
10.18438 
1 1 1 11  -2  22 f 103.6630 6.584235  2290.567       286.5550 2290.567       
286.5550 0.000000       0.000000 103.6630 6.584235 ?        ?        ? ? 
1 1 1 11  -2  23 o 59.30080 6.216151  777.0132       148.5123 615.9736       
207.2169 947.0985       212.9570 52.29755 9.799825 66.30406 7.650202 -14.00651 
12.43230 
1 1 1 11  -2  24 o 25.72618 6.805751  100.6329       110.6523 -121.9457      
199.8581 199.0193       132.8763 21.37708 9.792031 30.07527 9.454581 -8.698181 
13.61150 
1 1 1 11  -2  25 o 84.00784 4.495171  1514.934       149.6538 1539.691       
258.9014 1502.511       183.3964 84.16207 7.327216 83.85362 5.209429 0.3084488 
8.990342 
1 1 1 11  -2  26 f 71.80704 4.653381  1062.684       128.1970 1267.627       
243.7544 984.3217       150.7260 75.91220 7.648247 67.70188 5.302841 8.210320 
9.306762 
1 1 1 11  -2  27 o 59.01972 5.576487  832.6133       122.1224 643.2341       
204.7493 937.1877       152.1488 52.24562 9.697901 65.79382 5.508133 -13.54820 
11.15297 
1 1 1 11  -2  28 o 26.85832 7.031049  107.5162       97.15979 267.9356       
189.3441 50.17817       113.1995 33.27003 11.32251 20.44661 8.339266 12.82342 
14.06210 
1 1 1 11  -2  29 o 34.85445 7.133358  313.1921       107.4292 258.2667       
200.0960 335.4361       127.3380 32.32250 11.58321 37.38641 8.328767 -5.063908 
14.26672 
1 1 1 11  -2  30 o 55.38076 6.506598  832.8091       121.0630 578.6868       
231.7902 928.1363       141.9653 45.89811 11.92334 64.86340 5.213188 -18.96529 
13.01320 
1 1 1 11  -2  31 f 39.23763 7.194863  427.1612       118.2260 351.3127       
206.2862 464.2602       144.2705 35.03222 11.81822 43.44304 8.209382 -8.410824 
14.38973 
1 1 1 11  -2  32 o 35.56635 7.849396  282.1141       130.2659 657.0630       
242.7042 130.3933       154.3881 46.65936 12.23801 24.47335 9.832755 22.18601 
15.69879 
1 1 1 11  -2  33 o 35.13949 7.527050  426.7827       137.1577 171.9428       
289.4354 500.5830       155.7567 27.01344 12.15610 43.26554 8.880040 -16.25211 
15.05410 
1 1 1 11  -2  34 o 22.29090 7.324707  20.36605       123.2852 302.2588       
292.9492 -40.30457      135.9063 27.78255 12.37355 16.79926 7.842232 10.98330 
14.64941 
1 1 1 11  -1  0  o 205.2726 5.243637  8657.358       368.0985 8506.270       
412.4704 9248.428       815.8254 201.1631 4.883886 209.3822 9.280655 -8.219055 
10.48727 
1 1 1 11  -1  1  o 247.5397 6.024433  12584.59       491.2706 12387.35       
543.9342 13457.74       1144.455 242.7228 5.337733 252.3566 10.80203 -9.633804 
12.04887 
1 1 1 11  -1  2  o 523.4791 14.31497  58900.57       3128.242 58671.17       
4671.723 59087.04       4211.925 521.8966 21.32130 525.0617 19.10695 -3.165100 
28.62994 
1 1 1 11  -1  3  o 272.5328 8.717839  15727.79       997.3340 15788.92       
1424.079 15668.96       1397.192 273.0341 12.42334 272.0315 12.23371 1.002625 
17.43568 
1 1 1 11  -1  4  o 406.1201 10.90910  35075.95       1849.870 35398.33       
2769.539 34816.26       2485.649 407.5209 16.18746 404.7193 14.62874 2.801605 
21.81820 
1 1 1 11  -1  5  o 324.2227 11.18007  22397.80       1519.471 22387.53       
2210.567 22407.01       2092.041 324.0174 16.25012 324.4279 15.35936 
-0.4105530     22.36015 
1 1 1 11  -1  6  o 297.9702 10.33146  18760.09       1292.449 18760.09       
1292.449 0.000000       0.000000 297.9702 10.33146 ?        ?        ? ? 
1 1 1 11  -1  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -1  8  o 171.7264 10.85042  6238.778       782.2803 0.000000       
0.000000 6238.778       782.2803 ?        ?        171.7264 10.85042 ? ? 
1 1 1 11  -1  9  o 268.0968 8.442116  15215.59       943.3408 15041.02       
1257.415 15440.34       1426.741 266.4927 11.23865 269.7008 12.60039 -3.208069 
16.88423 
1 1 1 11  -1  10 f 110.0924 4.938182  2525.449       226.4941 2779.346       
347.4907 2337.908       298.6506 114.8364 7.207497 105.3484 6.752373 9.488029 
9.876364 
1 1 1 11  -1  11 o 212.6422 7.434002  9603.776       660.9816 9867.452       
902.8040 9299.144       970.3890 215.8972 9.960187 209.3872 11.03867 6.510010 
14.86800 
1 1 1 11  -1  12 o 108.1474 4.458972  2438.983       201.3204 2719.100       
304.9559 2222.602       268.0260 113.5882 6.394772 102.7066 6.215836 10.88154 
8.917944 
1 1 1 11  -1  13 o 51.33125 6.554260  588.0639       134.2222 462.6634       
203.7793 684.1562       178.3835 45.74921 10.77491 56.91328 7.465557 -11.16407 
13.10852 
1 1 1 11  -1  14 f 218.8263 7.314641  10251.43       633.3815 10010.86       
1089.243 10374.33       778.5353 216.3568 11.99155 221.2958 8.379657 -4.938965 
14.62928 
1 1 1 11  -1  15 o 77.03351 4.676465  1257.803       150.7746 1188.243       
217.8573 1321.749       208.8809 74.95857 6.922641 79.10845 6.289223 -4.149879 
9.352929 
1 1 1 11  -1  16 o 68.79990 4.890350  997.8879       140.3204 1040.514       
212.7662 965.0765       186.6707 70.06596 7.232969 67.53382 6.583788 2.532143 
9.780701 
1 1 1 11  -1  17 o 36.13601 7.469735  283.7418       120.0929 317.7307       
179.5857 256.2469       161.5211 37.91579 10.77345 34.35623 10.34990 3.559566 
14.93947 
1 1 1 11  -1  18 o 110.6649 5.277669  2561.847       241.5820 2867.106       
382.9834 2360.118       311.3355 115.9586 7.866798 105.3711 7.037659 10.58749 
10.55534 
1 1 1 11  -1  19 o 114.7671 5.105960  2787.035       244.5813 2960.853       
370.3709 2652.617       325.6996 117.8601 7.484990 111.6741 6.946816 6.185966 
10.21192 
1 1 1 11  -1  20 o 140.3613 5.885042  4163.610       340.6257 4470.016       
542.3615 3964.032       437.7212 144.3751 8.947827 136.3475 7.646651 8.027542 
11.77008 
1 1 1 11  -1  21 o 192.6664 6.453254  7794.802       433.3711 7656.594       
489.6448 8294.535       931.0724 189.9971 6.138401 195.3356 11.35332 -5.338531 
12.90651 
1 1 1 11  -1  22 o 157.0822 6.282492  5264.404       409.7582 5584.942       
635.2611 5036.023       536.2184 160.9188 9.403004 153.2456 8.334408 7.673172 
12.56498 
1 1 1 11  -1  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  -1  24 o 51.15556 6.385329  604.6490       119.0715 525.6898       
220.2595 637.2526       141.5357 47.72105 11.17822 54.59008 6.175519 -6.869026 
12.77066 
1 1 1 11  -1  25 o 43.01190 6.645437  409.3249       107.8704 453.4393       
202.3200 391.8039       127.5049 44.10321 10.96079 41.92059 7.517203 2.182621 
13.29087 
1 1 1 11  -1  26 o 74.84058 4.479750  1159.383       122.4774 1314.928       
249.4345 1109.967       140.5931 77.52264 7.663888 72.15851 4.640849 5.364128 
8.959500 
1 1 1 11  -1  27 o 71.68845 4.713459  1154.754       129.8138 1034.007       
229.0474 1211.893       157.5627 68.23862 7.994957 75.13828 4.994744 -6.899666 
9.426919 
1 1 1 11  -1  28 o 57.78191 5.234449  744.9086       113.7898 742.3817       
213.4713 745.9117       134.4894 56.94147 8.929596 58.62234 5.464444 -1.680870 
10.46890 
1 1 1 11  -1  29 o 23.72329 6.931600  74.31991       104.0317 73.39296       
195.1751 74.68777       122.9537 25.38609 10.70300 22.06050 8.811019 3.325588 
13.86320 
1 1 1 11  -1  30 o 18.31844 6.085599  -95.13786      106.5083 -114.4856      
201.6717 -87.65405      125.4271 20.43913 9.545923 16.19774 7.550724 4.241392 
12.17120 
1 1 1 11  -1  31 o 105.4605 4.466846  2526.775       195.7879 2493.260       
296.7004 2552.626       260.5754 104.2420 6.779481 106.6789 5.818030 -2.436890 
8.933691 
1 1 1 11  -1  32 o 35.46703 6.965072  385.2317       127.6293 80.30891       
233.3646 515.3599       152.4494 25.38879 11.20353 45.54528 8.278268 -20.15648 
13.93014 
1 1 1 11  -1  33 o 29.07307 8.146457  238.6794       145.3829 242.3190       
239.2653 236.5491       183.0497 29.22111 12.05511 28.92504 10.96054 0.2960739 
16.29291 
1 1 1 11  -1  34 o 39.65036 8.036768  517.1990       135.9161 527.8327       
263.4791 513.3432       158.6548 36.34135 13.26503 42.95937 9.077306 -6.618019 
16.07354 
1 1 1 11  0   0  o 69.90594 2.806074  1020.048       81.34743 1068.304       
126.4996 986.0208       106.2238 71.30235 4.225777 68.50954 3.693105 2.792801 
5.612149 
1 1 1 11  0   1  o 309.7567 5.088168  20475.28       561.9018 20728.54       
644.9988 19677.95       1144.434 314.0269 4.892301 305.4865 8.923183 8.540314 
10.17634 
1 1 1 11  0   2  o 177.6067 3.512848  6614.455       253.9148 6697.623       
414.6583 6564.561       321.1717 178.4679 5.534154 176.7455 4.328226 1.722397 
7.025695 
1 1 1 11  0   3  o 168.5718 3.288237  6062.938       220.7422 6273.377       
274.6278 5678.791       371.0467 172.8023 3.785437 164.3414 5.377777 8.460922 
6.576474 
1 1 1 11  0   4  o 227.1299 6.381919  10473.78       462.9537 10263.41       
507.5335 11515.94       1129.635 220.9270 5.471885 233.3329 11.53144 -12.40584 
12.76384 
1 1 1 11  0   5  f 410.9586 13.61674  36158.41       2223.248 36033.60       
2734.102 36402.02       3819.698 411.3214 15.83268 410.5957 22.15826 0.7256165 
27.23348 
1 1 1 11  0   6  o 28.46686 6.691122  138.1025       93.93979 247.4640       
154.7673 74.30910       118.2047 34.02332 10.10739 22.91040 8.770700 11.11292 
13.38224 
1 1 1 11  0   7  o 247.3441 13.34592  12982.71       1385.891 12982.71       
1385.891 0.000000       0.000000 247.3441 13.34592 ?        ?        ? ? 
1 1 1 11  0   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  0   9  o 224.3407 6.839110  10715.52       630.0179 10200.94       
987.5445 11068.70       818.1348 219.6053 10.71112 229.0761 8.506798 -9.470825 
13.67822 
1 1 1 11  0   10 o 315.2485 7.825510  20838.90       1023.585 19783.81       
1334.847 22344.76       1594.707 305.8180 10.39656 324.6790 11.69897 -18.86096 
15.65102 
1 1 1 11  0   11 o 144.4703 5.845914  4385.107       352.7793 4592.883       
530.8854 4220.808       472.0856 147.4920 8.573404 141.4485 7.949566 6.043503 
11.69183 
1 1 1 11  0   12 o 153.7613 6.188315  4918.201       387.1389 5307.390       
641.3589 4695.111       485.5806 158.3615 9.646562 149.1611 7.754019 9.200424 
12.37663 
1 1 1 11  0   13 o 116.8749 4.931298  2885.202       241.3444 2822.346       
352.0141 2940.956       331.5313 115.6493 7.250002 118.1005 6.686423 -2.451210 
9.862596 
1 1 1 11  0   14 o 224.5918 7.889310  10738.04       743.7112 10886.62       
1066.152 10597.22       1037.948 226.0829 11.23240 223.1006 11.08143 2.982361 
15.77862 
1 1 1 11  0   15 o 126.0249 5.327507  3357.240       281.5271 3597.959       
404.0455 3130.099       392.4850 130.4319 7.378489 121.6178 7.686823 8.814110 
10.65501 
1 1 1 11  0   16 o 259.2819 10.81986  14583.10       1167.780 15216.07       
1785.561 14110.00       1543.696 263.6362 16.13209 254.9276 14.42334 8.708542 
21.63971 
1 1 1 11  0   17 o 123.4644 5.146406  3280.542       254.0760 3071.385       
422.8461 3398.727       317.8548 120.1307 8.383961 126.7981 5.970862 -6.667374 
10.29281 
1 1 1 11  0   18 o 55.55691 5.746822  660.4719       133.3311 628.1251       
195.9178 688.3773       181.9711 54.23384 8.604478 56.87997 7.620159 -2.646126 
11.49364 
1 1 1 11  0   19 o 122.6274 5.142098  3189.004       261.9818 3282.790       
402.8956 3120.300       344.8388 124.0722 7.734625 121.1827 6.777924 2.889496 
10.28420 
1 1 1 11  0   20 o 57.28751 5.797747  712.2498       133.9100 560.1615       
185.3993 878.1296       193.6231 50.35026 9.104445 64.22477 7.180847 -13.87451 
11.59549 
1 1 1 11  0   21 o 169.2329 6.307743  6082.878       430.3134 5936.309       
535.4485 6350.176       723.0919 166.8544 7.643659 171.6114 10.03618 -4.757019 
12.61549 
1 1 1 11  0   22 o 56.16743 5.971640  623.8695       131.7111 467.1201       
160.8874 942.3979       229.3472 45.97219 8.653363 66.36266 8.231721 -20.39047 
11.94328 
1 1 1 11  0   23 o 28.95858 7.337575  89.32214       105.3108 310.4451       
212.7414 17.55034       121.2026 37.68232 11.97841 20.23485 8.478079 17.44747 
14.67515 
1 1 1 11  0   24 o 74.27586 4.966535  1236.986       139.3827 1050.310       
249.7520 1321.428       167.9746 69.64729 8.541337 78.90444 5.070646 -9.257156 
9.933070 
1 1 1 11  0   25 o 134.1158 5.303261  3943.089       283.0460 3710.037       
475.3419 4071.115       352.3160 130.3321 8.687117 137.8996 6.085420 -7.567429 
10.60652 
1 1 1 11  0   26 o 38.95542 7.275569  309.8481       108.4249 459.8083       
218.6127 260.9264       124.8644 44.10752 11.63604 33.80333 8.737180 10.30420 
14.55114 
1 1 1 11  0   27 o 22.44368 6.611098  -22.39350      99.99351 157.8099       
183.0071 -99.08900      119.3910 29.05299 10.97385 15.83437 7.375706 13.21863 
13.22220 
1 1 1 11  0   28 o 61.65022 5.610228  804.9762       124.1845 936.3463       
259.6057 765.9955       141.4136 63.84480 9.685224 59.45564 5.665253 4.389164 
11.22046 
1 1 1 11  0   29 o 41.90504 6.687445  413.8220       104.0091 421.1399       
208.2816 411.3909       120.0488 40.71482 11.61304 43.09526 6.635127 -2.380447 
13.37489 
1 1 1 11  0   30 o 60.12684 5.088477  726.0917       115.6780 1053.718       
232.4295 618.2208       133.3688 67.43646 8.209515 52.81722 6.014503 14.61924 
10.17695 
1 1 1 11  0   31 o 35.15329 7.053792  323.8719       107.1052 283.7538       
187.1473 343.4118       130.6095 32.88182 11.25664 37.42476 8.503650 -4.542938 
14.10758 
1 1 1 11  0   32 o 26.77494 7.581904  74.07700       121.9722 354.8121       
236.2701 -27.92390      142.4171 34.81802 12.57588 18.73187 8.472797 16.08615 
15.16381 
1 1 1 11  0   33 o 32.77572 7.884123  307.3897       124.0412 302.9697       
240.2329 308.9965       144.8427 31.80354 12.42918 33.74789 9.703257 -1.944355 
15.76825 
1 1 1 11  0   34 o 32.86864 7.690233  341.4281       122.9610 274.5271       
256.2087 361.4485       140.1569 29.46138 12.33428 36.27589 9.188274 -6.814512 
15.38047 
1 1 1 11  0   35 o 23.48587 6.778474  146.9717       119.8037 -195.9247      
277.5322 225.5016       132.8158 19.72548 9.702178 27.24626 9.468821 -7.520779 
13.55695 
1 1 1 11  1   0  o 299.8268 4.463121  18874.04       522.5245 18807.46       
631.4719 19018.64       930.5722 299.1117 5.028538 300.5420 7.375067 -1.430298 
8.926242 
1 1 1 11  1   1  o 23.28558 4.965436  106.1722       56.62206 175.4812       
81.92381 42.78273       78.34725 28.31044 6.937458 18.26072 7.105906 10.04972 
9.930872 
1 1 1 11  1   2  o 183.9054 3.230886  7047.150       239.9689 6891.458       
299.2111 7327.832       401.7448 181.1105 3.935095 186.7004 5.125381 -5.589905 
6.461772 
1 1 1 11  1   3  o 217.1138 3.042427  9903.621       277.2108 9844.245       
386.0526 9966.827       398.3050 216.4449 4.248349 217.7827 4.356257 -1.337784 
6.084854 
1 1 1 11  1   4  o 76.35779 2.800393  1191.877       88.24776 1408.104       
141.6369 1054.677       112.8233 81.86245 4.121096 70.85313 3.792806 11.00932 
5.600787 
1 1 1 11  1   5  o 230.0105 5.422193  10543.91       280.3087 10438.56       
291.2127 11872.27       1034.041 222.9337 3.111399 237.0872 10.38845 -14.15352 
10.84439 
1 1 1 11  1   6  o 152.2992 6.146210  4893.627       392.6584 4985.679       
547.4150 4796.071       563.5416 153.7915 8.478231 150.8068 8.900741 2.984756 
12.29242 
1 1 1 11  1   7  o 329.7765 11.71983  23273.00       1570.132 22914.30       
2554.281 23490.86       1990.644 327.0381 18.60335 332.5149 14.25947 -5.476746 
23.43965 
1 1 1 11  1   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  1   9  f 205.8545 8.531418  8936.839       737.3276 0.000000       
0.000000 8936.839       737.3276 ?        ?        205.8545 8.531418 ? ? 
1 1 1 11  1   10 o 271.5964 8.858949  15701.13       997.2366 15305.34       
1526.886 15995.55       1316.908 268.3590 13.55225 274.8339 11.41316 -6.474945 
17.71790 
1 1 1 11  1   11 o 277.6606 9.491031  16397.88       1106.346 16513.94       
1562.114 16281.08       1567.116 278.6653 13.35215 276.6560 13.49218 2.009247 
18.98206 
1 1 1 11  1   12 o 174.0034 5.550045  6182.274       370.1645 6890.667       
697.2700 5904.281       436.7986 180.5591 9.198195 167.4478 6.213308 13.11134 
11.10009 
1 1 1 11  1   13 o 329.6979 12.13321  23297.98       1593.412 23861.34       
2733.563 23008.05       1961.027 331.3543 19.64977 328.0415 14.23888 3.312805 
24.26643 
1 1 1 11  1   14 o 119.6037 5.026628  3018.221       251.5833 3010.637       
342.0719 3027.158       371.3086 119.4653 6.820193 119.7421 7.385995 
-0.2768173     10.05326 
1 1 1 11  1   15 o 67.59535 5.346195  965.9050       150.7915 966.1545       
226.0649 965.7050       202.3957 67.57693 7.968118 67.61378 7.129959 
-0.3685760E-01 10.69239 
1 1 1 11  1   16 o 26.91238 7.351208  70.56397       122.4888 191.8183       
186.0233 -22.24882      162.7506 31.83929 11.19254 21.98547 9.533519 9.853825 
14.70242 
1 1 1 11  1   17 o 175.5430 6.609815  6576.556       468.0982 6541.933       
776.3366 6596.334       586.7560 174.8024 10.57849 176.2836 7.928058 -1.481186 
13.21963 
1 1 1 11  1   18 o 77.40868 4.693411  1265.043       152.1721 1152.385       
208.8638 1392.501       222.1586 73.73677 6.746834 81.08060 6.526304 -7.343826 
9.386822 
1 1 1 11  1   19 o 46.02988 6.993071  474.7295       133.3786 366.7109       
196.3639 567.2541       181.7360 40.52698 11.18268 51.53278 8.399986 -11.00579 
13.98614 
1 1 1 11  1   20 o 87.70866 4.526989  1659.561       158.6650 1726.238       
198.5953 1541.896       263.8192 90.34508 5.235829 85.07225 7.386516 5.272827 
9.053978 
1 1 1 11  1   21 o 185.6447 5.963455  7506.875       418.3102 7693.428       
497.5727 7057.211       772.5048 190.4472 6.223047 180.8423 10.17472 9.604904 
11.92691 
1 1 1 11  1   22 o 21.88824 6.856291  -53.95118      125.0372 -60.11233      
173.2006 -47.24524      180.6960 21.43967 9.532387 22.33680 9.857409 
-0.8971252     13.71258 
1 1 1 11  1   23 o 142.6271 3.907039  4293.184       228.0253 4384.857       
367.6609 4235.878       290.6858 143.7175 6.093386 141.5368 4.891878 2.180771 
7.814078 
1 1 1 11  1   24 o 109.1622 4.201173  2471.133       173.8752 2685.518       
331.4689 2389.748       204.2290 112.0512 7.046076 106.2731 4.577361 5.778107 
8.402346 
1 1 1 11  1   25 f 143.1785 5.045614  4495.548       295.9234 3908.242       
452.0072 4936.107       391.4850 134.3851 8.011525 151.9719 6.135825 -17.58675 
10.09123 
1 1 1 11  1   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  1   27 o 57.33998 5.117131  713.8680       112.0994 720.6406       
206.5896 711.0419       133.4550 57.10135 8.617536 57.57861 5.520707 
-0.4772682     10.23426 
1 1 1 11  1   28 o 81.15746 4.482999  1362.678       140.0501 1611.607       
264.2856 1265.480       165.1441 85.56990 7.356538 76.74501 5.125472 8.824890 
8.965998 
1 1 1 11  1   29 o 74.77946 4.846314  1261.477       135.7433 1174.102       
251.9671 1297.206       161.1243 72.01450 8.333837 77.54443 4.949162 -5.529922 
9.692628 
1 1 1 11  1   30 o 26.47100 6.211703  149.6752       103.3418 -206.4135      
202.6945 274.7464       120.1273 19.04677 9.098450 33.89524 8.459269 -14.84847 
12.42341 
1 1 1 11  1   31 o 31.43102 6.939995  255.8427       106.4215 149.4925       
178.3954 314.5991       132.5996 27.10497 10.67975 35.75707 8.865499 -8.652100 
13.87999 
1 1 1 11  1   32 o 31.71871 7.126471  282.9066       117.5510 65.58946       
233.1661 356.9650       136.1149 25.61566 11.25813 37.82177 8.740757 -12.20611 
14.25294 
1 1 1 11  1   33 o 38.19849 7.703284  407.4098       119.8591 404.1396       
250.7595 408.3781       136.4565 35.99903 12.96037 40.39794 8.330130 -4.398911 
15.40657 
1 1 1 11  1   34 f 23.21348 7.169029  80.06343       112.0783 89.09539       
253.7260 77.87381       124.9273 25.32705 11.39025 21.09992 8.708734 4.227133 
14.33806 
1 1 1 11  1   35 o 21.73189 7.044424  43.85094       111.5739 128.7134       
279.1908 27.72192       121.7159 25.08860 11.52611 18.37518 8.102126 6.713421 
14.08885 
1 1 1 11  2   0  o 144.4439 3.032870  4371.592       183.2771 4528.209       
272.6927 4242.557       247.5181 146.7919 4.424787 142.0958 4.149032 4.696106 
6.065740 
1 1 1 11  2   1  o 355.1775 5.704479  26167.19       729.7645 27377.98       
1495.587 25788.83       836.0477 360.1658 9.890773 350.1891 5.686558 9.976654 
11.40896 
1 1 1 11  2   2  o 379.1405 5.997701  30266.92       901.3962 30209.25       
1105.308 30381.42       1557.529 378.8490 6.949255 379.4320 9.777398 
-0.5830383     11.99540 
1 1 1 11  2   3  o 223.0299 3.015513  10485.60       281.1860 10896.96       
385.3055 10016.91       411.2782 227.7365 4.029894 218.3233 4.487007 9.413239 
6.031026 
1 1 1 11  2   4  o 167.6625 3.566722  5883.825       250.3137 5597.276       
338.4471 6229.834       371.9081 163.1805 4.940189 172.1445 5.145926 -8.963943 
7.133444 
1 1 1 11  2   5  o 188.1959 2.790024  7428.514       220.1238 7668.059       
321.8506 7217.987       301.7271 191.0387 4.012860 185.3531 3.877355 5.685623 
5.580047 
1 1 1 11  2   6  o 105.8706 4.338745  2325.084       164.7173 2295.445       
188.3775 2421.343       339.4790 104.5154 4.293087 107.2258 7.541102 -2.710342 
8.677489 
1 1 1 11  2   7  o 595.9188 20.84296  77735.55       4769.529 79772.20       
8736.029 76870.70       5692.848 595.6228 34.93525 596.2148 22.74301 
-0.5920410     41.68592 
1 1 1 11  2   8  o 148.7473 9.044410  4667.393       564.8177 4667.393       
564.8177 0.000000       0.000000 148.7473 9.044410 ?        ?        ? ? 
1 1 1 11  2   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  2   10 o 209.5652 8.051235  9269.264       698.7310 9462.044       
1085.940 9133.064       912.7756 211.2826 12.24230 207.8479 10.46019 3.434753 
16.10247 
1 1 1 11  2   11 o 76.30742 4.975651  1232.878       158.5305 1107.725       
227.3604 1351.298       221.1601 72.50233 7.469368 80.11250 6.575481 -7.610161 
9.951303 
1 1 1 11  2   12 o 229.6946 8.037795  11247.02       705.0292 11030.03       
1295.818 11338.26       840.2876 227.6392 13.55870 231.7500 8.636333 -4.110733 
16.07559 
1 1 1 11  2   13 o 237.2374 6.584404  11766.08       633.5729 12420.11       
1052.966 11394.91       793.2356 242.1403 10.35782 232.3345 8.132226 9.805740 
13.16881 
1 1 1 11  2   14 o 125.6197 5.627102  3333.915       296.3784 3353.005       
409.4210 3312.897       429.5909 126.0185 7.738503 125.2209 8.171455 0.7975922 
11.25420 
1 1 1 11  2   15 o 95.36094 5.294139  1920.099       211.4488 1934.068       
310.4399 1908.009       288.7990 95.66460 7.729428 95.05727 7.236546 0.6073303 
10.58828 
1 1 1 11  2   16 o 25.21363 7.215518  32.31368       122.5903 136.3699       
181.2771 -55.37752      166.4128 29.18904 10.94543 21.23821 9.404909 7.950832 
14.43104 
1 1 1 11  2   17 o 62.41487 5.224942  801.9249       134.9892 995.5115       
212.2251 670.3853       174.9392 68.56584 7.372418 56.26389 7.405911 12.30195 
10.44988 
1 1 1 11  2   18 o 150.0760 5.554345  4845.485       344.4718 5231.950       
460.7537 4355.719       518.6898 157.1331 6.984287 143.0188 8.638446 14.11433 
11.10869 
1 1 1 11  2   19 o 117.3575 5.288692  2835.753       252.5718 3301.590       
423.4327 2578.469       314.6828 124.4718 8.102791 110.2432 6.798957 14.22858 
10.57738 
1 1 1 11  2   20 o 94.31194 4.522338  1852.230       174.6140 1738.724       
220.6845 2042.263       285.5462 90.60916 5.801241 98.01472 6.939149 -7.405556 
9.044677 
1 1 1 11  2   21 o 120.7729 4.168610  3092.753       211.1874 3136.461       
293.9344 3046.115       303.6298 121.6825 5.753648 119.8633 6.033637 1.819221 
8.337220 
1 1 1 11  2   22 o 74.90849 4.589292  1249.295       133.0178 1028.788       
226.8978 1364.766       164.1925 69.44170 7.782715 80.37530 4.865773 -10.93360 
9.178583 
1 1 1 11  2   23 f 38.98775 7.190683  301.5498       109.8691 452.0020       
210.3307 245.0914       128.8450 44.74551 11.20937 33.22999 9.009648 11.51552 
14.38137 
1 1 1 11  2   24 o 62.42283 4.804044  717.1162       115.3477 1148.479       
225.9012 564.9855       134.1546 73.30081 7.340588 51.54484 6.199283 21.75597 
9.608088 
1 1 1 11  2   25 o 156.4672 5.079613  5347.647       307.6215 4999.250       
544.1926 5511.254       372.9204 151.9559 8.530137 160.9784 5.517846 -9.022491 
10.15923 
1 1 1 11  2   26 o 99.29396 4.168952  2114.687       168.8024 2080.269       
271.9039 2136.271       215.3212 98.41080 6.581029 100.1771 5.119638 -1.766335 
8.337904 
1 1 1 11  2   27 f 51.12429 6.247454  562.4927       134.0940 0.000000       
0.000000 562.4927       134.0940 ?        ?        51.12429 6.247454 ? ? 
1 1 1 11  2   28 o 47.70847 6.417624  508.1129       114.4712 541.1760       
213.8386 494.8325       135.5247 47.73287 10.90484 47.68407 6.769648 
0.4880524E-01  12.83525 
1 1 1 11  2   29 o 60.05072 5.231413  798.0385       117.9588 800.1042       
222.5687 797.2316       139.1016 59.38472 8.927102 60.71672 5.456885 -1.332005 
10.46283 
1 1 1 11  2   30 o 51.66259 6.033759  646.9299       111.1970 553.8275       
207.3391 684.5201       131.7462 47.32277 10.68769 56.00242 5.603409 -8.679649 
12.06752 
1 1 1 11  2   31 o 48.51400 5.859154  547.8775       113.4562 573.9404       
183.3009 531.6913       144.4527 48.56361 9.322913 48.46439 7.099439 
0.9921265E-01  11.71831 
1 1 1 11  2   32 o 46.04949 7.455680  516.9990       133.2835 666.1923       
240.0865 450.5362       160.2443 49.63771 11.69851 42.46127 9.246264 7.176441 
14.91136 
1 1 1 11  2   33 o 64.47641 5.958941  987.5937       142.1808 1053.903       
274.6961 963.3286       166.1716 63.81976 10.25223 65.13306 6.076819 -1.313301 
11.91788 
1 1 1 11  2   34 o 34.19730 8.543976  259.5081       120.3274 597.0920       
300.9950 195.2962       131.2733 41.04482 14.25539 27.34977 9.422415 13.69505 
17.08795 
1 1 1 11  2   35 o 32.42852 5.122951  328.6656       119.2516 -759.6205      
277.9584 574.1680       132.0189 15.71334 8.002227 49.14370 6.398663 -33.43036 
10.24590 
1 1 1 11  2   36 o 31.24139 7.038465  343.6186       114.8156 183.7497       
243.4083 389.3689       130.2119 25.11065 11.22852 37.37213 8.490012 -12.26148 
14.07693 
1 1 1 11  3   0  o 337.6700 4.151744  23865.38       568.9442 24428.33       
938.0432 23537.77       715.5933 340.7251 6.557522 334.6149 5.093801 6.110168 
8.303488 
1 1 1 11  3   1  o 156.3965 2.749692  5145.997       179.2194 5078.311       
269.4009 5199.734       240.0412 155.4644 4.127520 157.3286 3.634118 -1.864243 
5.499384 
1 1 1 11  3   2  o 337.5822 6.079834  23945.28       857.8464 23272.08       
1152.979 24780.06       1283.912 332.3361 8.263515 342.8282 8.920306 -10.49213 
12.15967 
1 1 1 11  3   3  o 418.6578 8.032565  37047.82       1395.236 37007.89       
1837.499 37102.19       2144.120 418.6176 10.45516 418.6979 12.19746 
-0.8029175E-01 16.06513 
1 1 1 11  3   4  o 129.0532 2.324289  3501.688       122.6065 3513.524       
156.5874 3482.933       197.1059 129.3442 2.883573 128.7622 3.646133 0.5820465 
4.648578 
1 1 1 11  3   5  o 109.8795 3.111893  2518.665       142.3911 2401.194       
187.9466 2676.935       218.1564 106.8997 4.187734 112.8593 4.604173 -5.959602 
6.223786 
1 1 1 11  3   6  o 482.5889 8.422032  49322.38       1564.117 49386.66       
1871.178 49173.30       2849.641 483.8834 9.210758 481.2944 14.10264 2.589020 
16.84406 
1 1 1 11  3   7  o 102.7840 4.232507  2219.493       181.7806 2250.085       
271.3976 2194.601       244.8069 103.4160 6.250852 102.1520 5.708180 1.263977 
8.465014 
1 1 1 11  3   8  o 198.0026 6.395441  8224.855       527.0071 7949.101       
695.6249 8596.354       807.4063 194.1804 8.532785 201.8248 9.528810 -7.644424 
12.79088 
1 1 1 11  3   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  3   10 o 180.3185 9.012444  6860.455       682.2789 0.000000       
0.000000 6860.455       682.2789 ?        ?        180.3185 9.012444 ? ? 
1 1 1 11  3   11 o 120.4054 4.928008  3071.021       247.4986 2714.359       
354.0949 3411.709       346.0747 113.5034 7.430738 127.3074 6.474964 -13.80399 
9.856015 
1 1 1 11  3   12 o 278.3779 9.285896  16490.10       1001.864 16416.97       
1800.857 16522.87       1205.665 277.2655 15.47050 279.4903 10.27498 -2.224762 
18.57179 
1 1 1 11  3   13 o 38.63827 7.554596  286.2070       126.9368 488.3158       
214.3598 177.0624       157.5258 47.06989 11.02867 30.20665 10.32744 16.86325 
15.10919 
1 1 1 11  3   14 o 89.34007 5.122065  1683.438       192.0418 1683.030       
267.8112 1683.869       275.5294 89.33491 7.140499 89.34522 7.345438 
-0.1031494E-01 10.24413 
1 1 1 11  3   15 o 177.0733 6.841727  6637.653       507.4631 6520.991       
692.0240 6773.359       746.3763 175.4416 9.395280 178.7050 9.948146 -3.263428 
13.68345 
1 1 1 11  3   16 o 147.2186 5.433463  4622.666       329.4839 4810.603       
431.5659 4360.049       510.1529 150.9514 6.809750 143.4859 8.468611 7.465469 
10.86693 
1 1 1 11  3   17 o 202.7445 6.977231  8669.479       550.2569 8975.745       
991.9899 8533.361       661.3264 204.7785 11.53835 200.7105 7.848143 4.068054 
13.95446 
1 1 1 11  3   18 o 259.7448 8.795622  14523.35       953.9061 14835.99       
1431.710 14273.77       1279.191 261.9202 13.01989 257.5695 11.82938 4.350677 
17.59124 
1 1 1 11  3   19 o 179.6590 6.221404  6830.500       458.7632 6624.964       
585.9865 7155.949       737.3718 176.4767 7.908993 182.8413 9.605794 -6.364578 
12.44281 
1 1 1 11  3   20 f 111.6290 4.411716  2612.852       205.6404 2343.545       
274.5955 2956.762       310.3069 105.1531 6.220030 118.1049 6.258128 -12.95185 
8.823432 
1 1 1 11  3   21 o 185.4720 6.649404  7254.881       492.0693 6956.492       
602.6725 7851.583       852.2520 180.4849 7.953559 190.4590 10.65829 -9.974075 
13.29881 
1 1 1 11  3   22 o 105.1127 4.084825  2249.526       163.0249 2554.089       
313.1880 2136.332       190.9312 109.6214 6.805042 100.6040 4.520463 9.017433 
8.169650 
1 1 1 11  3   23 o 114.1888 3.796237  2779.093       180.4442 2559.788       
266.3838 2965.045       245.2922 109.9253 5.772066 118.4523 4.932433 -8.527054 
7.592473 
1 1 1 11  3   24 o 181.9463 6.052326  7002.731       426.1927 7377.033       
777.8001 6842.129       509.4868 184.6166 10.03502 179.2760 6.769116 5.340637 
12.10465 
1 1 1 11  3   25 o 109.9542 4.177288  2597.230       188.0248 2451.735       
296.3782 2695.231       243.2410 107.1733 6.586893 112.7351 5.139237 -5.561798 
8.354575 
1 1 1 11  3   26 o 102.7897 4.446952  2202.661       176.9333 2412.955       
325.8559 2114.739       210.6987 105.8268 7.334173 99.75270 5.031047 6.074051 
8.893904 
1 1 1 11  3   27 o 120.5565 3.996814  3151.782       182.0221 3006.969       
337.6416 3211.112       216.1159 118.0697 6.811432 123.0433 4.183596 -4.973595 
7.993628 
1 1 1 11  3   28 o 96.17365 3.951052  1933.212       145.0417 2113.567       
273.4616 1862.615       171.0895 98.79333 6.593103 93.55398 4.355943 5.239349 
7.902104 
1 1 1 11  3   29 o 25.52764 10.80718  47.96114       200.3459 47.96114       
200.3459 0.000000       0.000000 25.52764 10.80718 ?        ?        ? ? 
1 1 1 11  3   30 o 26.20076 7.003781  119.5461       96.79743 184.3329       
183.0585 94.40044       114.0457 29.58165 11.01757 22.81987 8.650148 6.761778 
14.00756 
1 1 1 11  3   31 o 31.44969 7.115249  228.2888       101.6881 291.6242       
175.2391 196.1349       124.8603 34.14007 10.87341 28.75931 9.180193 5.380762 
14.23050 
1 1 1 11  3   32 o 49.85566 7.478773  718.0411       127.8709 475.2751       
281.3764 781.2272       143.5504 40.38491 13.80259 59.32641 5.763382 -18.94150 
14.95755 
1 1 1 11  3   33 o 35.52709 7.766810  335.9453       118.9067 347.8291       
238.3712 332.0086       137.1947 34.86822 12.62795 36.18597 9.045893 -1.317749 
15.53362 
1 1 1 11  3   34 o 52.63109 7.327876  723.7243       118.5663 757.8187       
288.6970 716.8068       130.0393 48.86356 13.58784 56.39862 5.491956 -7.535057 
14.65575 
1 1 1 11  3   35 o 22.74033 6.635979  90.67165       113.4593 -176.1164      
230.7351 175.7530       130.3009 19.55167 9.427445 25.92900 9.341743 -6.377325 
13.27196 
1 1 1 11  3   36 f 20.88712 6.900024  9.913717       109.9233 132.6983       
278.0394 -12.83329      119.6731 24.92227 11.47177 16.85196 7.670715 8.070303 
13.80005 
1 1 1 11  4   0  o 398.6950 7.105799  33634.98       1177.273 34136.50       
1564.090 32979.49       1788.146 402.3000 9.260468 395.0901 10.78022 7.209900 
14.21160 
1 1 1 11  4   1  o 318.7834 6.000871  21272.55       774.8076 20879.16       
970.7795 21962.92       1286.017 314.9096 7.342700 322.6573 9.493501 -7.747681 
12.00174 
1 1 1 11  4   2  o 170.1385 3.156535  6054.027       224.8608 6485.842       
333.3326 5693.428       304.6076 175.6769 4.519436 164.6001 4.407898 11.07672 
6.313071 
1 1 1 11  4   3  o 127.9944 2.672464  3414.478       137.0864 3352.347       
169.4346 3532.237       233.2605 126.3363 3.194443 129.6525 4.285300 -3.316261 
5.344929 
1 1 1 11  4   4  o 261.0427 4.565042  14406.01       488.1464 14661.34       
628.2120 14016.90       775.5123 264.0448 5.666954 258.0406 7.158496 6.004272 
9.130084 
1 1 1 11  4   5  o 88.66583 2.646664  1646.184       98.15173 1710.977       
146.3638 1593.235       132.3124 90.24383 3.863112 87.08783 3.618796 3.155998 
5.293328 
1 1 1 11  4   6  o 234.5352 4.368343  11421.31       382.0932 11899.42       
741.9695 11248.75       445.7419 237.7197 7.434330 231.3508 4.589164 6.368973 
8.736687 
1 1 1 11  4   7  o 86.38824 3.042221  1566.900       110.2879 1521.671       
153.2107 1615.540       158.8852 85.09583 4.288465 87.68066 4.316191 -2.584824 
6.084442 
1 1 1 11  4   8  o 99.93724 4.022255  2104.417       168.4442 2213.212       
235.6274 1990.706       240.8920 102.5909 5.470638 97.28358 5.897988 5.307327 
8.044510 
1 1 1 11  4   9  o 314.9642 15.83230  21137.52       2093.553 21137.52       
2093.553 0.000000       0.000000 314.9642 15.83230 ?        ?        ? ? 
1 1 1 11  4   10 o 299.3127 14.03161  19036.29       1763.241 0.000000       
0.000000 19036.29       1763.241 ?        ?        299.3127 14.03161 ? ? 
1 1 1 11  4   11 o 145.0125 5.161694  4439.970       312.8421 4309.099       
460.9552 4551.728       425.9646 143.0001 7.677917 147.0249 6.900865 -4.024826 
10.32339 
1 1 1 11  4   12 o 136.3133 5.247134  3912.642       277.8342 3923.144       
498.8580 3907.920       334.5174 136.3469 8.714707 136.2797 5.846670 
0.6719971E-01  10.49427 
1 1 1 11  4   13 o 214.9444 7.095009  9781.083       637.8325 9680.770       
941.2953 9866.246       867.3038 213.8490 10.48431 216.0398 9.562215 -2.190826 
14.19002 
1 1 1 11  4   14 o 159.2110 5.226322  5372.238       341.2740 5473.554       
440.3776 5219.911       539.9793 161.1833 6.507683 157.2388 8.179720 3.944443 
10.45264 
1 1 1 11  4   15 o 294.7122 10.13365  18648.98       1238.296 18925.88       
1635.724 18277.25       1895.224 297.7672 13.08441 291.6572 15.47779 6.109955 
20.26731 
1 1 1 11  4   16 o 112.0319 4.954966  2623.863       226.3089 2755.737       
370.9258 2545.665       285.6318 114.1835 7.737574 109.8804 6.191664 4.303116 
9.909932 
1 1 1 11  4   17 o 145.4242 5.407051  4467.794       327.6784 4417.377       
436.4994 4532.892       495.9956 144.5523 7.192499 146.2961 8.075441 -1.743790 
10.81410 
1 1 1 11  4   18 o 100.5599 4.819318  2091.317       191.9416 2281.963       
338.5573 2001.015       233.0069 103.7467 7.772830 97.37306 5.699687 6.373589 
9.638637 
1 1 1 11  4   19 o 39.01646 6.901631  351.2988       115.2609 439.1817       
151.0252 228.7044       178.3742 44.73175 8.352135 33.30117 10.98963 11.43059 
13.80326 
1 1 1 11  4   20 o 113.1255 4.306086  2676.648       200.8226 2544.171       
257.8000 2881.108       320.2702 109.6852 5.598298 116.5657 6.544354 -6.880524 
8.612172 
1 1 1 11  4   21 o 137.7935 4.985551  4092.329       264.7704 3899.768       
475.0695 4179.091       318.8885 135.0380 8.379580 140.5489 5.404214 -5.510880 
9.971103 
1 1 1 11  4   22 f 85.51726 4.031203  1490.333       133.7825 1702.269       
247.6680 1403.017       158.9703 89.52111 6.589699 81.51340 4.645240 8.007713 
8.062406 
1 1 1 11  4   23 o 32.34097 7.143167  227.1811       103.3999 184.1165       
191.5871 244.8802       122.8236 31.47338 11.32874 33.20854 8.703959 -1.735157 
14.28633 
1 1 1 11  4   24 o 122.4814 4.613473  3221.606       228.2241 3059.603       
372.8831 3318.645       288.5928 119.7750 7.415281 125.1878 5.490914 -5.412773 
9.226946 
1 1 1 11  4   25 o 132.0090 4.786481  3729.190       256.8884 3667.534       
417.0023 3766.899       326.1172 130.8567 7.590379 133.1613 5.833332 -2.304565 
9.572963 
1 1 1 11  4   26 o 85.03825 4.466733  1683.762       139.5360 1232.901       
249.5033 1888.953       168.3194 75.59662 7.861311 94.47989 4.243418 -18.88327 
8.933466 
1 1 1 11  4   27 o 35.17132 6.735435  277.5825       94.13476 279.1769       
182.3312 277.0031       109.9170 35.23446 11.07487 35.10818 7.668869 0.1262741 
13.47087 
1 1 1 11  4   28 o 33.00764 5.798885  287.2514       93.47910 -10.25489      
176.4175 403.3888       110.2249 22.70718 9.887254 43.30810 6.062219 -20.60092 
11.59777 
1 1 1 11  4   29 o 32.13226 7.492088  220.0934       102.7028 244.2265       
224.3591 213.6959       115.5164 33.75353 12.24852 30.51099 8.631293 3.242546 
14.98418 
1 1 1 11  4   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  4   31 o 49.00768 5.838899  568.5131       109.6276 514.3808       
185.1818 597.7205       136.0248 45.95922 9.880952 52.05614 6.223967 -6.096920 
11.67780 
1 1 1 11  4   32 o 25.58447 7.436915  54.41910       114.8752 246.0818       
230.1507 -9.172742      132.5697 32.04707 12.24709 19.12187 8.440352 12.92520 
14.87383 
1 1 1 11  4   33 o 53.11647 6.812008  691.1034       117.7186 723.6146       
262.5584 682.9238       131.6974 50.88182 12.38936 55.35111 5.667243 -4.469292 
13.62402 
1 1 1 11  4   34 o 87.04575 5.608994  1688.850       157.3321 2033.307       
376.6935 1616.064       173.1588 88.59159 10.12784 85.49991 4.823917 3.091682 
11.21799 
1 1 1 11  4   35 o 41.48343 5.399711  662.4470       129.8620 -517.7073      
301.9471 930.2823       143.8452 18.81660 9.386258 64.15026 5.340944 -45.33366 
10.79942 
1 1 1 11  4   36 o 27.99862 6.398498  242.4491       110.5133 -126.5490      
236.2407 345.8207       125.0384 20.04507 9.634354 35.95216 8.422726 -15.90709 
12.79700 
1 1 1 11  4   37 o 17.38708 6.010653  -131.9212      107.4927 42.20189       
229.3956 -180.9120      121.6786 21.78072 10.17578 12.99344 6.400418 8.787274 
12.02131 
1 1 1 11  5   0  o 263.0479 4.490580  14566.50       493.0229 14638.69       
663.2592 14477.37       737.0423 263.8095 5.988443 262.2862 6.693264 1.523254 
8.981160 
1 1 1 11  5   1  o 428.7853 6.190656  38885.91       1054.555 38363.43       
1806.006 39156.21       1299.010 426.2941 10.09092 431.2766 7.174270 -4.982422 
12.38131 
1 1 1 11  5   2  o 53.11628 2.896442  594.0157       63.95053 489.7250       
88.93204 705.6912       92.02677 48.27484 4.387918 57.95773 3.782021 -9.682888 
5.792884 
1 1 1 11  5   3  o 177.5375 2.936156  6643.852       217.9945 6331.916       
318.0621 6920.198       299.3679 173.5861 4.364334 181.4888 3.928948 -7.902710 
5.872312 
1 1 1 11  5   4  o 200.7787 2.390297  8438.657       198.2040 8310.834       
257.1389 8625.777       311.1177 198.9226 3.078965 202.6349 3.657056 -3.712311 
4.780594 
1 1 1 11  5   5  o 113.0991 2.904705  2622.255       135.2193 2380.181       
172.0090 3013.850       218.7740 106.4393 3.849200 119.7590 4.351197 -13.31971 
5.809411 
1 1 1 11  5   6  o 233.1896 4.011406  11506.44       367.6568 11231.61       
641.5537 11640.83       448.6330 231.0279 6.614388 235.3513 4.540416 -4.323425 
8.022812 
1 1 1 11  5   7  o 116.2028 3.034216  2837.904       147.8869 2846.892       
204.9019 2828.132       213.6602 116.3977 4.192980 116.0080 4.386889 0.3896408 
6.068433 
1 1 1 11  5   8  o 390.4404 12.58360  32558.98       1941.551 32504.61       
2375.459 32668.39       3369.813 391.1418 14.46553 389.7390 20.59458 1.402832 
25.16721 
1 1 1 11  5   9  o 190.1261 6.145589  7661.950       464.1247 7497.718       
793.3829 7747.394       572.2606 188.4283 10.02900 191.8240 7.105785 -3.395645 
12.29118 
1 1 1 11  5   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  5   11 o 186.1789 6.496610  7280.877       506.5674 7857.702       
748.3014 6792.920       688.2493 192.9480 9.237559 179.4099 9.137356 13.53818 
12.99322 
1 1 1 11  5   12 o 152.9418 5.491300  4794.461       328.4843 5302.370       
595.6212 4572.458       393.7831 158.4992 8.950846 147.3843 6.363951 11.11487 
10.98260 
1 1 1 11  5   13 o 315.7930 10.40244  21344.56       1354.851 21687.37       
1767.360 20855.98       2109.933 319.3713 13.18106 312.2147 16.09668 7.156555 
20.80489 
1 1 1 11  5   14 o 224.8181 6.346533  10572.15       583.7933 11156.50       
948.5334 10215.82       740.7035 229.6177 9.839392 220.0184 8.018746 9.599350 
12.69307 
1 1 1 11  5   15 o 245.1943 8.213043  12748.31       814.7514 12901.73       
1348.481 12660.09       1022.487 245.9471 13.05942 244.4414 9.963323 1.505768 
16.42609 
1 1 1 11  5   16 o 136.2556 4.989730  3894.278       282.3040 4076.656       
436.7452 3763.395       369.9852 138.9325 7.487647 133.5787 6.597331 5.353836 
9.979461 
1 1 1 11  5   17 o 213.3620 8.334455  9679.740       737.6098 10031.88       
1143.026 9428.460       965.5616 216.4091 12.58060 210.3149 10.93531 6.094177 
16.66891 
1 1 1 11  5   18 o 100.4182 4.515992  2126.624       178.9621 2119.875       
218.4394 2140.402       312.1070 100.2833 5.188278 100.5531 7.393140 
-0.2697983     9.031984 
1 1 1 11  5   19 o 187.1821 6.118563  7420.809       422.2052 7380.878       
490.8101 7534.443       827.9808 186.8324 6.257233 187.5318 10.51638 
-0.6994019     12.23713 
1 1 1 11  5   20 o 186.4754 5.293297  7125.930       401.2484 6409.209       
498.5257 8444.284       676.1271 173.8320 6.830913 199.1187 8.087929 -25.28668 
10.58659 
1 1 1 11  5   21 o 99.86293 4.460937  2173.178       177.8612 1909.496       
291.2641 2329.972       224.6009 94.72255 7.324107 105.0033 5.094829 -10.28076 
8.921873 
1 1 1 11  5   22 o 141.3848 3.948161  4227.212       221.8463 4247.696       
381.2385 4216.724       272.7886 141.4498 6.419713 141.3198 4.597739 0.1299896 
7.896323 
1 1 1 11  5   23 o 61.40655 5.145576  826.8059       114.6183 754.1346       
223.8703 852.6224       133.4331 59.29542 8.992828 63.51768 5.003686 -4.222256 
10.29115 
1 1 1 11  5   24 o 19.42284 6.062132  -38.63721      90.66593 -2.657100      
159.5984 -55.78183      110.1695 22.27997 9.546038 16.56571 7.474687 5.714266 
12.12426 
1 1 1 11  5   25 o 138.2812 4.675529  4015.350       260.3016 4265.541       
440.6050 3881.209       322.6222 141.2922 7.427666 135.2701 5.680850 6.022034 
9.351058 
1 1 1 11  5   26 o 64.18790 4.704625  837.1569       117.7196 998.9303       
217.7608 770.3596       139.9283 68.17549 7.608034 60.20030 5.536406 7.975189 
9.409249 
1 1 1 11  5   27 o 143.8619 4.742013  4447.750       245.8897 4439.461       
495.7196 4450.456       283.1826 142.9277 8.261155 144.7961 4.658336 -1.868408 
9.484027 
1 1 1 11  5   28 o 70.86896 4.422237  1137.587       119.4204 929.6949       
208.2455 1239.452       145.7708 65.38774 7.585784 76.35018 4.547592 -10.96244 
8.844474 
1 1 1 11  5   29 o 77.39218 4.193650  1255.240       119.8086 1368.333       
238.0513 1216.876       138.6485 79.19732 7.159473 75.58704 4.369068 3.610283 
8.387300 
1 1 1 11  5   30 o 55.29927 4.887436  669.3042       99.04652 676.0913       
194.6361 666.9324       115.0584 54.88303 8.447075 55.71552 4.918845 
-0.8324890     9.774872 
1 1 1 11  5   31 o 46.50365 6.974837  480.8463       136.1758 0.000000       
0.000000 480.8463       136.1758 ?        ?        46.50365 6.974837 ? ? 
1 1 1 11  5   32 o 24.18425 7.294620  22.88893       110.1697 182.0142       
235.9525 -21.47324      124.5838 30.14615 12.13756 18.22235 8.094788 11.92380 
14.58924 
1 1 1 11  5   33 f 42.53549 7.696715  425.3578       115.1727 574.1463       
266.9080 391.3149       127.6704 44.55126 13.28117 40.51972 7.782567 4.031540 
15.39343 
1 1 1 11  5   34 o 59.13351 7.187103  993.5477       133.2208 720.6580       
283.0914 1071.172       150.9840 48.80534 13.40943 69.46167 5.177342 -20.65633 
14.37421 
1 1 1 11  5   35 o 50.81871 7.323706  460.6074       116.0618 1212.653       
316.6205 343.8695       124.7450 64.76955 12.09298 36.86788 8.264768 27.90166 
14.64741 
1 1 1 11  5   36 o 23.26050 7.107361  90.80182       107.9492 132.2209       
239.2545 80.21485       120.9612 25.66044 11.33105 20.86056 8.582867 4.799889 
14.21472 
1 1 1 11  5   37 o 19.14139 6.297827  2.897557       108.3162 -49.60536      
231.0990 17.67848       122.6188 20.42605 9.747230 17.85674 7.977596 2.569317 
12.59565 
1 1 1 11  6   0  o 180.3086 2.608052  6829.537       197.3819 6847.542       
282.4257 6812.346       275.9666 180.5394 3.726089 180.0777 3.650208 0.4617157 
5.216105 
1 1 1 11  6   1  o 40.90884 3.523419  350.5292       60.32776 367.1870       
89.62573 336.7299       81.57420 41.79282 5.108014 40.02485 4.854496 1.767975 
7.046839 
1 1 1 11  6   2  o 286.1455 3.118720  17209.96       371.5237 17233.30       
494.6251 17179.76       562.7750 286.3882 4.113790 285.9028 4.688537 0.4854126 
6.237439 
1 1 1 11  6   3  o 85.12794 2.438889  1522.293       87.16135 1512.442       
123.5727 1532.047       122.9591 84.85352 3.468755 85.40235 3.429352 
-0.5488281     4.877778 
1 1 1 11  6   4  o 534.5681 10.34564  60602.48       2318.944 62553.46       
3383.494 58874.23       3184.506 542.5724 14.85350 526.5638 14.40496 16.00861 
20.69129 
1 1 1 11  6   5  o 203.4307 3.222354  8673.399       274.8339 9242.923       
400.8704 8168.274       377.5269 209.7149 4.552979 197.1464 4.561209 12.56850 
6.444707 
1 1 1 11  6   6  o 312.0660 5.389091  20418.40       594.8010 20340.70       
677.5946 20679.33       1241.744 311.0501 5.188725 313.0819 9.447028 -2.031769 
10.77818 
1 1 1 11  6   7  o 178.0520 3.238356  6662.921       240.6415 6662.204       
360.4462 6663.498       323.2250 178.0318 4.822408 178.0722 4.323446 
-0.4035950E-01 6.476712 
1 1 1 11  6   8  o 237.9330 6.059674  11293.72       361.6470 11142.73       
379.8627 12755.66       1182.034 230.2914 3.928891 245.5745 11.46483 -15.28311 
12.11935 
1 1 1 11  6   9  o 542.1268 17.88159  63933.57       3874.709 64340.27       
6563.793 63716.05       4800.348 540.3925 28.93122 543.8611 21.02354 -3.468628 
35.76317 
1 1 1 11  6   10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  6   11 o 202.7179 7.193434  8689.746       611.2445 8812.851       
844.5046 8554.298       885.8364 204.2686 9.847398 201.1671 10.48860 3.101456 
14.38687 
1 1 1 11  6   12 o 260.0733 8.492792  14364.56       915.4050 14520.15       
1205.950 14153.02       1406.143 261.9463 10.96574 258.2003 12.97161 3.745972 
16.98558 
1 1 1 11  6   13 o 415.1719 14.65831  37331.63       2539.414 37489.73       
3414.710 37135.99       3798.401 416.8739 19.51058 413.4699 21.88154 3.404022 
29.31663 
1 1 1 11  6   14 f 103.5872 4.759305  2254.844       204.8022 2221.209       
269.7871 2300.587       314.6230 102.7036 6.256865 104.4709 7.173255 -1.767334 
9.518611 
1 1 1 11  6   15 o 222.8894 8.188166  10545.06       757.7112 10626.07       
1162.960 10485.30       998.8060 223.4367 12.39742 222.3422 10.69992 1.094498 
16.37633 
1 1 1 11  6   16 o 187.7964 6.655202  7532.440       511.1382 7757.371       
658.4358 7191.323       810.8494 191.5634 8.186947 184.0294 10.49480 7.533966 
13.31040 
1 1 1 11  6   17 f 168.3816 5.368343  5989.302       377.2783 5951.986       
506.1753 6035.946       565.9129 167.8542 7.182735 168.9091 7.980272 -1.054901 
10.73669 
1 1 1 11  6   18 o 81.99670 4.173990  1420.451       143.4991 1364.084       
205.4158 1474.178       200.5484 80.39265 6.086093 83.60077 5.713864 -3.208122 
8.347980 
1 1 1 11  6   19 o 42.84601 6.631796  410.7029       113.7304 429.7804       
145.3972 380.6313       182.5464 44.30796 8.118811 41.38406 10.48846 2.923904 
13.26359 
1 1 1 11  6   20 f 111.9127 3.569590  2613.707       158.9792 2735.754       
275.2072 2552.583       194.7630 113.7603 5.762223 110.0650 4.214815 3.695351 
7.139179 
1 1 1 11  6   21 f 80.74117 4.207001  1340.777       132.0627 1485.849       
242.1465 1279.357       157.5576 83.63927 6.895870 77.84307 4.821038 5.796196 
8.414001 
1 1 1 11  6   22 o 43.01966 6.415722  400.8140       104.7754 414.2322       
195.6736 395.4203       124.0591 42.91364 10.84882 43.12568 6.851941 
-0.2120361     12.83144 
1 1 1 11  6   23 f 83.53114 4.287584  1490.588       138.4235 1449.661       
248.6177 1508.974       166.6418 82.52927 7.175384 84.53301 4.695465 -2.003738 
8.575169 
1 1 1 11  6   24 o 238.0685 7.291676  12470.41       660.6269 11678.03       
1202.319 12813.09       790.6778 231.0513 12.39460 245.0857 7.684271 -14.03441 
14.58335 
1 1 1 11  6   25 o 62.46636 4.769858  815.8735       109.6787 861.2388       
217.6424 800.4310       126.9813 63.40915 8.175469 61.52357 4.916084 1.885578 
9.539716 
1 1 1 11  6   26 o 71.69786 3.741836  1062.121       107.1900 1182.784       
186.3737 1002.481       131.0297 74.55998 5.953878 68.83575 4.533949 5.724236 
7.483673 
1 1 1 11  6   27 o 139.4286 3.295759  4149.692       180.7687 4047.835       
314.5068 4199.941       220.9033 137.8829 5.433011 140.9743 3.732359 -3.091324 
6.591518 
1 1 1 11  6   28 o 127.7682 3.837285  3494.560       179.0127 3467.556       
353.9344 3503.842       207.5118 126.8956 6.643507 128.6408 3.842246 -1.745209 
7.674571 
1 1 1 11  6   29 o 67.26791 4.350594  1030.643       110.2217 839.8658       
195.7326 1119.233       133.3802 62.01257 7.518037 72.52325 4.380616 -10.51069 
8.701188 
1 1 1 11  6   30 o 51.54789 5.280888  624.6441       99.04606 512.5791       
176.0693 676.5251       119.7988 46.97495 9.257366 56.12083 5.084515 -9.145885 
10.56178 
1 1 1 11  6   31 o 70.06914 3.908045  1077.999       105.7161 1034.714       
188.8927 1097.740       127.5655 68.55201 6.563205 71.58627 4.244479 -3.034256 
7.816090 
1 1 1 11  6   32 o 58.77481 5.701170  674.1999       113.4488 1014.102       
270.5060 601.6537       124.9706 65.18576 9.884285 52.36386 5.684564 12.82190 
11.40234 
1 1 1 11  6   33 o 28.99416 12.24469  142.6765       256.1571 142.6765       
256.1571 0.000000       0.000000 28.99416 12.24469 ?        ?        ? ? 
1 1 1 11  6   34 o 42.38712 7.482151  480.2597       114.5088 450.7123       
268.9193 486.8035       126.5553 38.57344 13.46701 46.20081 6.524570 -7.627365 
14.96430 
1 1 1 11  6   35 o 53.93168 7.351761  790.8121       124.2658 736.0697       
288.2076 803.3129       137.7254 48.12706 13.63951 59.73631 5.491573 -11.60925 
14.70352 
1 1 1 11  6   36 o 33.71546 6.419035  360.1703       112.3991 43.84829       
231.5487 457.6849       128.5620 23.70915 10.75929 43.72177 7.003832 -20.01262 
12.83807 
1 1 1 11  6   37 o 20.50564 6.487768  50.51072       106.1028 0.7486202      
214.5671 66.61746       122.0724 21.18195 9.874812 19.82933 8.417398 1.352625 
12.97554 
1 1 1 11  7   0  o 332.6306 3.629871  23278.27       497.0978 23173.30       
782.9713 23349.16       643.4045 331.9521 5.618125 333.3091 4.597884 -1.356964 
7.259743 
1 1 1 11  7   1  o 196.8438 2.586603  8154.049       212.4001 8270.725       
285.8567 8010.234       317.3664 198.4276 3.431368 195.2600 3.871406 3.167587 
5.173207 
1 1 1 11  7   2  o 306.5686 3.182382  19623.64       394.5312 19286.19       
493.3358 20222.41       657.1453 302.9807 3.878366 310.1565 5.046632 -7.175781 
6.364764 
1 1 1 11  7   3  o 96.21400 2.294182  1934.881       92.42965 2082.364       
136.8395 1811.133       125.3459 99.56882 3.273476 92.85919 3.215189 6.709633 
4.588364 
1 1 1 11  7   4  o 364.2123 6.193803  27954.95       944.5074 28104.94       
1389.617 27826.16       1287.671 365.0644 9.066645 363.3603 8.440898 1.704163 
12.38761 
1 1 1 11  7   5  o 222.8652 4.162379  10394.43       386.6976 10033.23       
513.2817 10868.54       588.0598 218.4310 5.597095 227.2995 6.162316 -8.868591 
8.324759 
1 1 1 11  7   6  o 25.54712 5.034872  131.8631       61.94953 226.4796       
88.90321 42.55900       86.37135 32.19204 6.789686 18.90219 7.436389 13.28985 
10.06974 
1 1 1 11  7   7  o 216.7121 3.354160  9874.601       304.9742 9769.876       
437.9537 9973.192       424.9380 215.5906 4.838597 217.8337 4.646454 -2.243042 
6.708320 
1 1 1 11  7   8  o 231.5313 3.994951  11410.36       339.7383 10991.03       
662.4976 11559.98       395.7349 228.5044 6.905750 234.5582 4.018600 -6.053848 
7.989901 
1 1 1 11  7   9  o 467.9230 17.80008  47524.61       3459.485 48834.48       
5320.391 46565.12       4553.533 472.3362 26.82954 463.5098 23.39972 8.826447 
35.60016 
1 1 1 11  7   10 o 45.47171 10.12454  454.0555       188.2519 454.0555       
188.2519 0.000000       0.000000 45.47171 10.12454 ?        ?        ? ? 
1 1 1 11  7   11 o 207.4064 9.163216  9078.152       797.9010 0.000000       
0.000000 9078.152       797.9010 ?        ?        207.4064 9.163216 ? ? 
1 1 1 11  7   12 o 368.0015 12.70529  29044.50       1962.579 29206.12       
2753.077 28877.50       2798.492 369.1300 17.76479 366.8731 18.16893 2.256866 
25.41058 
1 1 1 11  7   13 f 162.0971 5.566357  5536.798       360.4044 5551.463       
612.8138 5529.044       445.6160 162.1505 9.001842 162.0436 6.550128 0.1068573 
11.13271 
1 1 1 11  7   14 o 123.4456 5.524717  3208.327       283.0775 3254.130       
435.6918 3174.868       372.3853 124.1637 8.358062 122.7275 7.227226 1.436249 
11.04943 
1 1 1 11  7   15 o 122.6482 5.670740  3169.982       291.4058 3262.979       
428.3017 3089.829       397.6260 124.3034 8.207062 120.9930 7.827726 3.310448 
11.34148 
1 1 1 11  7   16 o 131.8978 4.479690  3653.761       246.3173 3561.147       
327.5703 3774.264       373.6513 130.0090 6.001396 133.7866 6.652349 -3.777618 
8.959380 
1 1 1 11  7   17 o 187.1844 5.332401  7159.894       359.2682 6940.303       
410.0134 7885.956       745.5501 181.5173 5.380233 192.8514 9.208207 -11.33409 
10.66480 
1 1 1 11  7   18 o 43.08555 6.152676  395.1958       101.9266 384.5550       
122.4326 419.2241       183.9806 42.66034 6.835873 43.51077 10.23194 
-0.8504257     12.30535 
1 1 1 11  7   19 o 163.9492 5.024613  5715.637       312.3150 5633.005       
581.8655 5749.077       370.1542 162.8085 8.512687 165.0899 5.340518 -2.281372 
10.04923 
1 1 1 11  7   20 o 72.94501 4.433137  1068.509       120.3906 1251.571       
240.4363 1007.254       139.0816 76.78156 7.458717 69.10846 4.793574 7.673103 
8.866274 
1 1 1 11  7   21 o 53.46225 5.403871  642.9899       106.0303 553.9529       
190.0960 683.1998       127.7482 50.07084 9.389526 56.85365 5.352017 -6.782806 
10.80774 
1 1 1 11  7   22 o 160.4792 4.697441  5431.660       302.6934 5603.308       
512.0806 5339.476       375.2733 162.1481 7.522248 158.8104 5.628461 3.337646 
9.394881 
1 1 1 11  7   23 o 18.94280 6.074082  -70.82886      101.0076 -188.8936      
185.2453 -20.87477      120.4960 19.17920 9.001323 18.70641 8.158070 0.4727917 
12.14816 
1 1 1 11  7   24 o 221.9356 7.102188  10534.27       581.3307 10808.27       
1139.678 10437.91       675.8676 222.4639 12.20236 221.4073 7.270944 1.056595 
14.20438 
1 1 1 11  7   25 o 115.9830 4.111926  2783.227       184.0312 3026.399       
340.5838 2682.951       218.7081 119.2653 6.801909 112.7007 4.622313 6.564651 
8.223852 
1 1 1 11  7   26 o 71.54916 4.562581  1158.378       125.8092 897.2577       
211.5130 1301.340       156.5046 64.67945 7.789182 78.41888 4.753655 -13.73943 
9.125162 
1 1 1 11  7   27 o 72.67564 4.248506  1097.175       116.3316 1195.173       
224.1012 1061.027       136.1063 74.59289 7.155959 70.75839 4.581644 3.834496 
8.497012 
1 1 1 11  7   28 f 52.10237 4.954403  552.1029       100.3309 675.3317       
187.3390 502.5432       118.8054 55.73394 8.006258 48.47080 5.838174 7.263134 
9.908806 
1 1 1 11  7   29 o 105.3954 3.466444  2333.661       145.6035 2483.561       
252.0167 2258.554       178.3895 107.6511 5.576118 103.1397 4.119689 4.511360 
6.932888 
1 1 1 11  7   30 o 26.90636 5.982705  159.1705       90.37549 -59.81507      
160.2212 261.3589       109.4493 20.02000 9.024745 33.79271 7.856526 -13.77271 
11.96541 
1 1 1 11  7   31 o 45.99224 6.672076  480.9882       105.7893 517.7144       
228.9328 471.0167       119.2894 45.52968 11.85988 46.45480 6.116349 
-0.9251213     13.34415 
1 1 1 11  7   32 o 37.76916 7.204601  352.4696       107.3591 332.8361       
217.6338 358.7840       123.4214 36.27477 12.13892 39.26354 7.763486 -2.988766 
14.40920 
1 1 1 11  7   33 f 24.08621 6.945328  91.95732       110.9838 -187.0935      
261.7022 153.1491       122.5497 22.21091 10.50474 25.96151 9.088494 -3.750607 
13.89066 
1 1 1 11  7   34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  7   35 f 24.36673 7.396862  90.70764       114.1283 71.09555       
269.5211 94.99258       125.9805 26.34768 11.79769 22.38579 8.925738 3.961887 
14.79372 
1 1 1 11  7   36 o 23.07552 6.387144  85.33857       112.8688 -354.2722      
236.0359 215.6598       128.5143 17.68459 8.727497 28.46644 9.328087 -10.78185 
12.77429 
1 1 1 11  7   37 o 19.30599 6.282104  -4.687592      108.7192 -80.35887      
216.4959 20.83049       125.7211 20.08092 9.524280 18.53106 8.194353 1.549852 
12.56421 
1 1 1 11  7   38 o 26.95340 6.034441  207.4488       116.8142 -325.6613      
227.3829 398.5963       136.1550 16.55864 8.243780 37.34816 8.814649 -20.78952 
12.06888 
1 1 1 11  8   0  o 382.5968 4.447089  30896.92       687.8482 30434.30       
1133.723 31166.40       865.3066 380.2008 7.102561 384.9929 5.353507 -4.792053 
8.894178 
1 1 1 11  8   1  o 231.0601 4.219725  11208.85       402.5776 11113.23       
522.8260 11348.12       630.9595 229.8937 5.416904 232.2264 6.471589 -2.332672 
8.439450 
1 1 1 11  8   2  o 207.3501 3.772887  9036.729       328.3494 9168.397       
471.0955 8912.333       457.8981 208.8160 5.373611 205.8841 5.297452 2.931870 
7.545774 
1 1 1 11  8   3  o 205.0115 3.128264  8830.893       269.1793 8544.505       
378.0236 9125.464       383.3872 201.6382 4.465470 208.3847 4.382205 -6.746521 
6.256528 
1 1 1 11  8   4  o 66.28419 2.792624  925.3275       77.46303 1007.960       
109.3148 841.9819       109.7853 69.26649 3.759038 63.30190 4.130935 5.964596 
5.585248 
1 1 1 11  8   5  o 26.92084 5.109581  156.8316       59.56126 189.4576       
85.54347 126.1320       82.97971 29.41142 7.015983 24.43025 7.430158 4.981173 
10.21916 
1 1 1 11  8   6  o 229.3002 4.602090  11071.12       441.7588 11163.10       
603.6675 10965.07       648.1884 230.3484 6.242143 228.2520 6.764065 2.096420 
9.204180 
1 1 1 11  8   7  o 224.3773 3.833297  10710.65       323.9076 10872.81       
382.9914 10303.30       607.0123 227.4810 4.010190 221.2737 6.534145 6.207275 
7.666595 
1 1 1 11  8   8  o 125.0510 3.112231  3259.910       156.0260 3199.247       
192.9053 3374.673       265.3261 123.4023 3.723420 126.6996 4.987993 -3.297318 
6.224462 
1 1 1 11  8   9  o 409.7388 11.58548  35821.14       1992.214 36740.88       
2807.588 34888.41       2827.347 415.1462 16.10843 404.3314 16.65569 10.81485 
23.17097 
1 1 1 11  8   10 o 87.94214 7.094942  1628.500       261.9539 1628.500       
261.9539 0.000000       0.000000 87.94214 7.094942 ?        ?        ? ? 
1 1 1 11  8   11 o 372.3772 16.73043  29626.94       2615.588 0.000000       
0.000000 29626.94       2615.588 ?        ?        372.3772 16.73043 ? ? 
1 1 1 11  8   12 o 185.0140 6.221357  7204.022       462.7348 7288.129       
777.5483 7157.899       575.8010 185.7119 9.972610 184.3161 7.440982 1.395767 
12.44271 
1 1 1 11  8   13 o 277.6846 10.04984  16417.88       1171.435 16840.43       
1669.244 16007.85       1644.356 281.2251 14.13796 274.1440 14.28690 7.081085 
20.09969 
1 1 1 11  8   14 o 228.5625 7.944744  11081.63       761.4069 10943.70       
1100.800 11208.16       1054.289 227.1354 11.54369 229.9895 10.91874 -2.854187 
15.88949 
1 1 1 11  8   15 o 262.8216 8.407901  14696.12       901.1577 14745.08       
1147.174 14617.22       1456.290 263.7848 10.35859 261.8584 13.24654 1.926392 
16.81580 
1 1 1 11  8   16 o 218.1911 6.104675  9934.359       491.1357 9790.713       
569.5295 10351.07       970.0361 215.5357 6.293875 220.8465 10.46209 -5.310822 
12.20935 
1 1 1 11  8   17 o 277.0449 8.264859  16330.65       751.5646 16307.95       
834.6529 16427.96       1727.909 277.8961 7.153926 276.1936 14.90144 1.702515 
16.52972 
1 1 1 11  8   18 o 103.9553 4.779677  2298.122       199.8305 2337.774       
250.3197 2228.453       331.8019 105.2972 5.662384 102.6134 7.701861 2.683739 
9.559354 
1 1 1 11  8   19 o 289.0665 9.124285  17984.73       1046.036 18143.18       
1803.365 17904.40       1284.137 288.7480 14.87599 289.3849 10.56955 
-0.6369324     18.24857 
1 1 1 11  8   20 o 96.71969 3.935904  1945.293       149.0258 2059.829       
267.1600 1893.556       179.5566 98.65368 6.450290 94.78570 4.512110 3.867981 
7.871809 
1 1 1 11  8   21 o 104.5350 3.741609  2256.349       150.1048 2438.772       
280.2039 2182.930       177.7630 107.3007 6.220031 101.7694 4.160500 5.531372 
7.483217 
1 1 1 11  8   22 o 87.56958 4.040621  1517.779       135.2534 1883.259       
261.3066 1384.028       158.0764 94.17286 6.609153 80.96630 4.650330 13.20656 
8.081242 
1 1 1 11  8   23 o 65.05043 4.758826  843.4080       119.4267 1042.977       
226.7442 766.7893       140.4937 69.91727 7.724543 60.18360 5.560319 9.733669 
9.517653 
1 1 1 11  8   24 o 150.2238 5.057174  4739.669       283.5164 4941.476       
549.0783 4666.304       331.0646 151.9165 8.608952 148.5310 5.309049 3.385544 
10.11435 
1 1 1 11  8   25 o 45.91843 5.923729  489.4905       99.05795 393.6345       
182.8493 529.3097       117.8501 41.84689 10.43223 49.98997 5.615237 -8.143082 
11.84746 
1 1 1 11  8   26 o 97.05143 3.868259  2017.194       146.6896 1941.498       
257.5840 2053.526       178.4538 95.50594 6.424058 98.59692 4.311054 -3.090973 
7.736518 
1 1 1 11  8   27 o 30.31208 6.721494  209.2086       96.35962 92.25923       
181.4718 255.1299       113.7150 26.89493 10.71610 33.72924 8.116600 -6.834311 
13.44299 
1 1 1 11  8   28 o 84.58221 3.552407  1539.990       112.2895 1481.729       
212.6216 1562.525       132.2343 83.19627 6.087298 85.96815 3.663765 -2.771889 
7.104814 
1 1 1 11  8   29 o 66.32281 4.535961  1027.628       112.6107 745.4172       
194.1067 1170.800       138.2556 58.43002 7.912714 74.21562 4.437195 -15.78561 
9.071921 
1 1 1 11  8   30 o 64.86674 4.113801  918.1285       103.7692 875.6747       
182.9344 938.2698       126.0028 63.41307 6.871279 66.32042 4.525368 -2.907352 
8.227602 
1 1 1 11  8   31 o 62.52914 5.345862  881.3994       113.8993 840.4818       
243.4385 892.8669       128.8755 60.56539 9.573831 64.49289 4.759700 -3.927498 
10.69172 
1 1 1 11  8   32 o 43.02066 7.126561  381.2519       116.1889 657.1612       
229.2130 285.8405       134.7896 51.53421 10.92651 34.50712 9.152210 17.02709 
14.25312 
1 1 1 11  8   33 o 43.79586 6.642301  581.3215       114.9387 207.1255       
226.3174 711.3832       133.4268 30.72141 12.05204 56.87032 5.588283 -26.14891 
13.28460 
1 1 1 11  8   34 o 78.63940 5.261673  1393.771       144.8374 1495.601       
305.4465 1364.233       164.5083 78.43297 9.275932 78.84583 4.969698 
-0.4128571     10.52335 
1 1 1 11  8   35 o 44.50927 7.252605  463.5425       135.5263 0.000000       
0.000000 463.5425       135.5263 ?        ?        44.50927 7.252605 ? ? 
1 1 1 11  8   36 o 18.97336 6.385384  -79.35172      111.8414 -113.7869      
252.7494 -70.96742      124.7160 21.79104 10.31433 16.15567 7.530406 5.635365 
12.77077 
1 1 1 11  8   37 o 22.76915 6.332663  91.16345       110.7798 -289.0468      
221.2518 218.3710       127.9768 17.43659 8.588432 28.10172 9.308561 -10.66514 
12.66533 
1 1 1 11  8   38 o 22.45942 6.823755  117.3811       112.4512 49.39888       
222.5767 140.6810       130.3046 21.96859 10.17026 22.95024 9.100565 
-0.9816513     13.64751 
1 1 1 11  9   0  o 117.4351 2.297052  2900.124       113.1198 2799.543       
162.0231 2995.777       158.0036 115.4440 3.342924 119.4261 3.151293 -3.982033 
4.594104 
1 1 1 11  9   1  o 241.6889 3.161577  12261.19       308.9484 12333.87       
511.8436 12219.53       387.4992 242.2132 5.033389 241.1646 3.827176 1.048676 
6.323154 
1 1 1 11  9   2  o 275.6909 4.553837  16000.39       525.8957 16096.86       
721.1423 15890.81       768.5798 276.6023 6.209924 274.7795 6.662323 1.822754 
9.107674 
1 1 1 11  9   3  o 411.6875 4.678606  35705.24       805.2443 35255.99       
1190.823 36083.73       1093.027 409.2482 6.930768 414.1267 6.286642 -4.878479 
9.357211 
1 1 1 11  9   4  o 243.6468 3.940000  12517.60       387.0442 12361.96       
642.4007 12606.30       484.9439 242.3927 6.312589 244.9008 4.716527 -2.508118 
7.880000 
1 1 1 11  9   5  o 192.0529 3.917531  7765.766       315.1887 7915.964       
434.1972 7598.456       458.2642 194.0310 5.330119 190.0749 5.742649 3.956131 
7.835062 
1 1 1 11  9   6  o 158.9907 2.191957  5303.345       145.2120 5261.742       
193.4721 5357.016       219.7501 158.2827 2.911427 159.6988 3.277544 -1.416077 
4.383914 
1 1 1 11  9   7  o 353.1176 4.477812  26158.43       647.6266 26589.59       
1040.793 25886.02       827.2955 355.3967 6.975448 350.8385 5.616612 4.558197 
8.955625 
1 1 1 11  9   8  o 314.3614 3.634156  20632.83       466.9094 20165.27       
592.5399 21398.65       758.3374 309.7488 4.556475 318.9739 5.662764 -9.225037 
7.268312 
1 1 1 11  9   9  o 152.7708 5.643421  4887.909       358.8221 5140.031       
550.2161 4701.332       473.3226 156.1463 8.393102 149.3952 7.546432 6.751160 
11.28684 
1 1 1 11  9   10 o 82.27177 4.666073  1411.147       160.0971 1540.042       
244.1301 1313.889       212.0640 85.52979 6.798687 79.01376 6.392715 6.516037 
9.332146 
1 1 1 11  9   11 o 194.2231 9.041310  7960.386       737.2440 0.000000       
0.000000 7960.386       737.2440 ?        ?        194.2231 9.041310 ? ? 
1 1 1 11  9   12 o 149.2308 5.550204  4681.846       341.7969 4761.913       
537.1849 4627.382       443.0502 150.2449 8.516185 148.2167 7.119947 2.028183 
11.10041 
1 1 1 11  9   13 f 170.4054 5.176308  6117.227       370.1988 6042.537       
515.6732 6196.655       531.7785 169.3385 7.253374 171.4723 7.386827 -2.133804 
10.35262 
1 1 1 11  9   14 o 329.7659 10.87646  23169.14       1393.824 23491.68       
2502.885 23024.14       1678.116 330.2743 18.05042 329.2576 12.13968 1.016724 
21.75292 
1 1 1 11  9   15 o 51.71832 5.438793  567.7998       117.2769 602.0770       
159.9742 527.9749       172.4350 53.43478 7.130941 50.00187 8.214108 3.432919 
10.87759 
1 1 1 11  9   16 o 135.6112 4.758627  3843.442       260.4257 3755.750       
324.3831 4002.451       436.8072 133.5347 5.786089 137.6878 7.556408 -4.153107 
9.517255 
1 1 1 11  9   17 o 61.11169 5.193907  802.5422       130.1646 866.9122       
171.2194 714.3995       200.3568 64.11301 6.361036 58.11038 8.212424 6.002625 
10.38781 
1 1 1 11  9   18 o 221.7852 7.060578  10492.13       622.0032 10384.78       
1065.378 10547.65       766.1330 220.4313 11.51202 223.1392 8.178041 -2.707932 
14.12116 
1 1 1 11  9   19 o 120.9974 3.735654  3027.913       174.4980 3237.983       
321.6697 2940.315       207.7179 123.8122 6.188251 118.1827 4.186405 5.629486 
7.471308 
1 1 1 11  9   20 o 87.79898 4.379150  1680.365       147.7480 1501.433       
261.9267 1763.869       178.9325 84.12444 7.416152 91.47353 4.659237 -7.349083 
8.758300 
1 1 1 11  9   21 o 71.47395 4.862155  1199.676       125.3020 841.9336       
227.8322 1354.806       150.0297 62.79406 8.642067 80.15382 4.458349 -17.35976 
9.724310 
1 1 1 11  9   22 o 82.71897 4.402106  1479.070       139.2664 1381.070       
251.9508 1522.186       167.1173 80.52741 7.452348 84.91053 4.687927 -4.383118 
8.804212 
1 1 1 11  9   23 o 54.01026 5.285783  604.7904       111.0567 667.1561       
203.0899 578.1857       132.6462 55.80112 8.668951 52.21940 6.050398 3.581715 
10.57157 
1 1 1 11  9   24 o 106.0797 3.902995  2428.394       156.3691 2272.359       
289.1802 2492.869       185.8893 103.4273 6.659693 108.7321 4.072095 -5.304718 
7.805989 
1 1 1 11  9   25 o 36.16689 6.367374  309.8723       95.26865 191.6299       
176.6368 358.3788       113.1345 31.26272 10.91444 41.07105 6.561153 -9.808331 
12.73475 
1 1 1 11  9   26 o 123.9185 3.615868  3310.917       180.0004 3031.430       
294.6584 3477.305       227.3522 119.5026 5.873034 128.3345 4.219655 -8.831848 
7.231736 
1 1 1 11  9   27 o 94.91119 3.829837  2008.209       135.7395 1698.363       
248.1266 2140.540       162.1554 89.14609 6.629673 100.6763 3.836412 -11.53021 
7.659675 
1 1 1 11  9   28 o 40.42876 6.104934  393.5943       95.75702 277.3244       
169.5980 448.0049       116.0190 35.08646 10.61269 45.77106 6.037529 -10.68460 
12.20987 
1 1 1 11  9   29 o 60.60633 4.524824  883.8005       97.20732 600.2004       
178.5048 1003.356       115.8997 52.41788 8.111321 68.79478 4.012804 -16.37690 
9.049648 
1 1 1 11  9   30 f 63.81401 4.437985  932.2039       108.5076 735.6796       
184.9765 1035.306       133.9806 57.94937 7.603069 69.67865 4.579975 -11.72928 
8.875970 
1 1 1 11  9   31 o 66.18294 5.125532  979.2703       121.1705 935.9654       
243.3271 993.5501       139.7274 64.33827 9.008286 68.02760 4.892349 -3.689331 
10.25106 
1 1 1 11  9   32 o 22.95871 6.896057  48.32883       100.4255 26.46638       
215.5596 54.38943       113.4948 25.19222 10.94859 20.72520 8.387536 4.467016 
13.79211 
1 1 1 11  9   33 o 52.42878 6.118434  597.3673       115.5433 760.2184       
233.6126 544.6293       132.9421 55.38228 10.42967 49.47527 6.400229 5.907013 
12.23687 
1 1 1 11  9   34 o 21.77631 6.727207  29.62976       109.4017 -84.05080      
222.4260 65.90833       125.6515 22.06196 10.19562 21.49066 8.778983 0.5712948 
13.45441 
1 1 1 11  9   35 o 48.53020 7.055458  629.3855       123.6851 547.9861       
242.5557 657.9888       143.7833 43.31377 12.59028 53.74662 6.372038 -10.43285 
14.11092 
1 1 1 11  9   36 o 39.60183 7.294271  455.8593       112.5905 356.5987       
262.6217 478.2116       124.6244 33.81519 13.04047 45.38847 6.540016 -11.57328 
14.58854 
1 1 1 11  9   37 o 43.01947 6.064845  630.8971       125.8064 57.41708       
222.5747 900.1345       152.5051 23.61893 10.64253 62.42002 5.819446 -38.80109 
12.12969 
1 1 1 11  9   38 o 30.62878 7.223175  319.0671       118.0312 181.7051       
234.0080 365.9375       136.6930 25.48147 11.23499 35.77608 9.081406 -10.29462 
14.44635 
1 1 1 11  10  0  o 291.4223 4.027038  17914.64       462.5884 18012.05       
565.0891 17716.76       805.4155 292.7303 4.598015 290.1144 6.612592 2.615845 
8.054075 
1 1 1 11  10  1  o 246.1615 3.242970  12621.34       319.1731 13111.03       
546.3790 12367.67       393.2456 249.7067 5.211765 242.6163 3.860691 7.090469 
6.485940 
1 1 1 11  10  2  f 151.3532 2.347839  4764.166       147.4409 4519.814       
192.2351 5113.278       229.7776 146.6924 3.121376 156.0139 3.508047 -9.321503 
4.695677 
1 1 1 11  10  3  o 267.2262 3.463121  15079.42       376.9153 14728.30       
608.7288 15297.73       479.9966 264.6439 5.478771 269.8085 4.237440 -5.164673 
6.926242 
1 1 1 11  10  4  o 142.0497 2.688314  4238.134       160.2119 4271.352       
231.3414 4207.520       222.0893 142.5823 3.864637 141.5170 3.738008 1.065353 
5.376627 
1 1 1 11  10  5  o 292.7021 5.186600  18020.81       636.9095 18593.24       
922.2967 17498.97       880.6012 297.1328 7.393346 288.2713 7.276104 8.861542 
10.37320 
1 1 1 11  10  6  o 90.85694 2.753300  1734.204       104.9927 1675.800       
147.5757 1794.064       149.4055 89.30726 3.935947 92.40662 3.851098 -3.099365 
5.506599 
1 1 1 11  10  7  o 123.5686 2.912498  3201.905       150.9396 3045.188       
208.0244 3376.146       219.3469 120.3821 4.115981 126.7550 4.121806 -6.372818 
5.824996 
1 1 1 11  10  8  f 132.8705 3.073748  3628.636       164.8975 3429.540       
204.1735 4002.104       279.6373 127.7622 3.806433 137.9788 4.827293 -10.21662 
6.147495 
1 1 1 11  10  9  o 232.0660 5.501107  11026.78       488.8239 10593.34       
577.0281 12128.47       919.9327 224.3821 6.125336 239.7500 9.139419 -15.36789 
11.00221 
1 1 1 11  10  10 o 239.8393 7.842952  12241.52       755.6805 11915.00       
1258.901 12425.46       944.8398 237.0451 12.64975 242.6335 9.275313 -5.588394 
15.68590 
1 1 1 11  10  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  10  12 o 306.6502 10.61107  20071.27       1364.227 20661.33       
1899.414 19442.54       1960.661 311.4594 14.52577 301.8410 15.47196 9.618469 
21.22215 
1 1 1 11  10  13 o 204.4916 5.580307  8804.359       478.6589 8336.729       
662.7565 9314.234       692.0449 198.8192 7.939932 210.1641 7.843263 -11.34492 
11.16061 
1 1 1 11  10  14 f 257.1912 7.182920  13701.26       655.9407 13445.63       
746.0697 14571.66       1376.690 252.5771 7.035685 261.8053 12.52503 -9.228149 
14.36584 
1 1 1 11  10  15 o 158.0235 4.014403  5236.457       248.4801 5199.994       
300.8644 5314.690       440.6960 157.2430 4.557437 158.8041 6.609954 -1.561157 
8.028807 
1 1 1 11  10  16 o 211.4658 6.724918  9416.619       575.9531 9260.589       
722.0536 9689.553       954.9757 209.3172 8.216477 213.6144 10.64836 -4.297287 
13.44984 
1 1 1 11  10  17 f 49.97721 6.015267  610.9152       106.7651 384.6505       
191.0410 713.6784       128.7471 41.74110 10.81588 58.21333 5.267882 -16.47223 
12.03053 
1 1 1 11  10  18 o 28.34262 7.050470  126.0625       96.33281 226.3281       
182.6502 87.42365       113.3852 33.41701 11.12057 23.26822 8.670031 10.14879 
14.10094 
1 1 1 11  10  19 o 218.6354 5.441967  10219.69       482.4273 9775.664       
782.7617 10491.66       612.6060 214.4848 8.692690 222.7860 6.549593 -8.301270 
10.88393 
1 1 1 11  10  20 o 221.2392 5.330973  10372.14       480.2455 10450.40       
781.7415 10324.71       608.6368 221.6182 8.401924 220.8602 6.563898 0.7580261 
10.66195 
1 1 1 11  10  21 o 93.62184 3.500530  1832.146       122.9992 1890.672       
235.7742 1810.263       144.1723 94.52462 5.941175 92.71906 3.703685 1.805565 
7.001060 
1 1 1 11  10  22 o 154.7361 4.030839  5103.379       241.0076 4978.224       
433.4867 5159.375       289.9516 153.0942 6.744318 156.3779 4.416430 -3.283630 
8.061679 
1 1 1 11  10  23 o 117.6900 3.108922  2939.536       145.3105 2871.441       
248.3525 2974.982       179.1827 116.5442 5.075737 118.8359 3.591445 -2.291794 
6.217844 
1 1 1 11  10  24 o 108.1510 3.675632  2491.258       159.2688 2411.408       
266.5168 2535.615       198.6394 106.6717 5.951086 109.6303 4.315746 -2.958527 
7.351264 
1 1 1 11  10  25 o 55.58462 4.733226  635.5435       100.8112 708.6748       
189.8685 606.8333       118.9652 57.61115 7.849960 53.55809 5.290732 4.053055 
9.466452 
1 1 1 11  10  26 o 56.09566 4.702730  639.2646       103.1609 754.0356       
189.3492 590.8168       123.0224 59.39546 7.593314 52.79585 5.550160 6.599606 
9.405460 
1 1 1 11  10  27 o 76.49854 3.977685  1229.228       116.9278 1280.534       
215.7707 1207.898       139.1272 77.42903 6.637578 75.56805 4.385256 1.860977 
7.955370 
1 1 1 11  10  28 o 76.47212 3.928653  1282.256       120.2959 1113.382       
194.8333 1386.296       152.9263 72.08716 6.437634 80.85709 4.504901 -8.769936 
7.857306 
1 1 1 11  10  29 o 89.19479 3.804273  1658.618       134.8141 1823.747       
236.4765 1579.109       164.0916 92.18547 6.110076 86.20411 4.533978 5.981361 
7.608547 
1 1 1 11  10  30 o 27.24212 6.540323  161.1326       88.94054 87.96703       
161.9876 192.7084       106.4156 25.32370 10.11368 29.16053 8.295585 -3.836823 
13.08065 
1 1 1 11  10  31 o 134.1330 5.369318  3951.734       275.4564 4032.432       
507.0442 3917.944       328.0941 133.7061 9.032661 134.5599 5.807694 
-0.8538361     10.73864 
1 1 1 11  10  32 o 26.73283 7.450775  102.3369       109.2040 203.9841       
219.4115 68.86550       125.9066 31.30087 11.95910 22.16479 8.890224 9.136082 
14.90155 
1 1 1 11  10  33 o 22.74529 6.965807  -12.86470      106.9437 147.7284       
218.0277 -63.74392      122.7209 28.68052 11.61776 16.81005 7.688790 11.87047 
13.93161 
1 1 1 11  10  34 o 31.82304 7.632507  148.2862       104.0702 503.0622       
243.3963 68.91520       115.1245 42.50657 12.68498 21.13952 8.491882 21.36704 
15.26501 
1 1 1 11  10  35 o 53.62165 6.809312  682.1844       123.6716 800.1124       
266.6723 649.8719       139.5903 53.65249 12.12332 53.59081 6.204202 
0.6168365E-01  13.61862 
1 1 1 11  10  36 o 33.14012 6.793743  334.8642       118.6350 26.27240       
237.9630 436.9319       136.8553 24.22377 10.95478 42.05647 8.038190 -17.83270 
13.58749 
1 1 1 11  10  37 o 25.60360 7.672915  111.2023       117.3249 268.5017       
263.8429 72.43185       130.9882 30.09172 12.55208 21.11548 8.828357 8.976240 
15.34583 
1 1 1 11  10  38 o 22.73236 10.40875  56.76598       225.5786 56.76598       
225.5786 0.000000       0.000000 22.73236 10.40875 ?        ?        ? ? 
1 1 1 11  11  0  o 74.05198 2.463142  1144.191       76.31396 1258.714       
113.6398 1050.122       102.9925 77.40372 3.496953 70.70024 3.469811 6.703476 
4.926283 
1 1 1 11  11  1  o 259.8988 3.475850  14044.72       368.6182 14854.17       
603.7692 13563.71       465.4303 265.7601 5.411309 254.0376 4.363930 11.72250 
6.951701 
1 1 1 11  11  2  o 248.6127 3.877019  13000.53       391.6007 13004.43       
495.0093 12994.02       640.1949 248.7219 4.740460 248.5036 6.136216 0.2182922 
7.754038 
1 1 1 11  11  3  o 300.8634 4.664947  18943.45       582.0579 19735.20       
904.0046 18382.79       760.7226 306.1469 7.033343 295.5799 6.130171 10.56705 
9.329893 
1 1 1 11  11  4  f 311.1520 4.295079  20241.00       538.7429 20826.04       
903.5226 19918.24       671.0928 314.5239 6.842369 307.7801 5.193535 6.743744 
8.590158 
1 1 1 11  11  5  o 328.6636 4.663407  22694.47       640.4745 23150.61       
957.1922 22324.69       861.8303 331.6105 6.875305 325.7167 6.302353 5.893768 
9.326815 
1 1 1 11  11  6  o 75.85689 2.862540  1207.538       91.10047 1165.493       
126.0063 1253.585       131.8643 74.47559 4.029948 77.23820 4.066457 -2.762611 
5.725081 
1 1 1 11  11  7  o 83.98492 2.881320  1483.510       101.4555 1452.674       
146.4690 1511.950       140.6664 83.14262 4.196073 84.82722 3.949809 -1.684593 
5.762640 
1 1 1 11  11  8  o 316.0583 5.034865  21005.39       664.6469 20745.78       
893.1219 21327.61       995.0177 313.9198 6.776620 318.1967 7.448282 -4.276978 
10.06973 
1 1 1 11  11  9  o 277.3649 5.029198  16174.28       578.8541 16027.12       
761.1809 16376.09       891.4023 275.9364 6.570524 278.7934 7.615743 -2.857025 
10.05840 
1 1 1 11  11  10 o 152.4824 5.771213  4901.268       367.9774 4910.303       
545.5545 4893.727       498.4298 152.5819 8.516400 152.3828 7.790925 0.1991119 
11.54243 
1 1 1 11  11  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  11  12 o 153.4032 5.251973  4979.500       335.7071 5143.925       
452.4539 4778.115       500.7314 156.2736 6.896197 150.5329 7.923090 5.740784 
10.50395 
1 1 1 11  11  13 o 410.3146 10.77136  35326.76       1629.902 34635.28       
1889.058 37341.07       3224.175 404.2750 11.12986 416.3542 18.44491 -12.07919 
21.54271 
1 1 1 11  11  14 o 188.5977 5.293374  7461.070       363.7226 7420.248       
419.9762 7583.570       727.5205 187.7886 5.326923 189.4068 9.148941 -1.618118 
10.58675 
1 1 1 11  11  15 o 32.94325 7.492248  225.8992       117.0169 248.0343       
149.3323 190.6851       188.3525 33.90591 9.886339 31.98060 11.26035 1.925310 
14.98450 
1 1 1 11  11  16 o 236.4351 6.018639  11714.80       566.5451 12166.05       
977.9257 11486.84       695.0701 239.5594 9.723302 233.3108 7.096018 6.248520 
12.03728 
1 1 1 11  11  17 o 360.8797 11.64392  28377.22       1674.317 27722.54       
2833.773 28728.33       2075.292 355.8044 18.97033 365.9550 13.50743 -10.15067 
23.28785 
1 1 1 11  11  18 o 22.73222 6.659258  19.00427       95.32685 81.84782       
178.1825 -6.195519      112.8322 26.74885 10.63088 18.71559 8.022922 8.033257 
13.31852 
1 1 1 11  11  19 o 32.96233 6.335499  262.5504       91.33943 107.5477       
174.3221 321.2100       107.2390 27.54003 10.62359 38.38463 6.906052 -10.84460 
12.67100 
1 1 1 11  11  20 o 88.65865 4.002781  1706.839       142.8570 1476.554       
228.5848 1854.429       182.9964 83.52430 6.518618 93.79299 4.647220 -10.26869 
8.005563 
1 1 1 11  11  21 o 221.2233 6.686330  10297.41       578.8800 11000.36       
1038.934 9980.924       697.1204 225.8425 10.95729 216.6040 7.665888 9.238586 
13.37266 
1 1 1 11  11  22 o 132.8320 4.216735  3680.398       215.8947 3884.139       
397.6606 3595.245       257.0820 135.1668 7.007506 130.4972 4.692363 4.669647 
8.433470 
1 1 1 11  11  23 o 47.41898 5.402540  496.0665       94.65941 466.3722       
172.6541 508.8284       113.1873 45.80804 9.301311 49.02992 5.498669 -3.221886 
10.80508 
1 1 1 11  11  24 o 124.3654 3.300232  3074.781       149.6545 3657.103       
309.7975 2897.527       170.9203 131.4341 5.614240 117.2967 3.470797 14.13744 
6.600463 
1 1 1 11  11  25 o 110.5643 3.858505  2582.145       169.5392 2603.333       
291.6281 2571.328       208.3686 110.7611 6.271384 110.3675 4.496889 0.3935776 
7.717011 
1 1 1 11  11  26 o 74.55736 3.676934  1159.499       107.6854 1225.448       
191.6770 1129.084       130.1698 75.97940 6.008902 73.13531 4.239397 2.844093 
7.353869 
1 1 1 11  11  27 o 63.76245 4.335647  860.1221       109.7222 883.8395       
189.9938 848.2540       134.3997 64.27113 7.041167 63.25378 5.060957 1.017342 
8.671293 
1 1 1 11  11  28 o 78.84126 3.395334  1275.765       108.6949 1489.695       
183.3778 1159.893       134.9583 83.68813 5.219201 73.99438 4.344321 9.693756 
6.790669 
1 1 1 11  11  29 o 25.92497 6.395974  137.9713       89.23308 -0.1494271     
170.3618 190.1918       104.7521 22.74119 9.806001 29.10876 8.214395 -6.367569 
12.79195 
1 1 1 11  11  30 o 34.06679 5.858006  307.1493       83.86930 105.1906       
166.6355 375.6665       97.05906 26.28004 10.33220 41.85354 5.523634 -15.57349 
11.71601 
1 1 1 11  11  31 o 49.52361 5.829928  565.9465       101.3118 527.5815       
199.0246 579.3648       117.7029 47.17779 10.33141 51.86943 5.405013 -4.691647 
11.65986 
1 1 1 11  11  32 o 26.93914 7.408312  75.14267       106.4368 273.3095       
222.9692 16.65879       121.1288 34.24158 12.23170 19.63670 8.361699 14.60489 
14.81662 
1 1 1 11  11  33 o 33.10700 7.749597  216.7718       110.9722 412.0731       
230.1664 157.6228       126.6669 39.64519 12.43951 26.56881 9.245728 13.07638 
15.49919 
1 1 1 11  11  34 o 40.33369 7.432258  393.2426       113.5031 468.4861       
233.2697 369.9024       129.9200 41.35095 12.43417 39.31644 8.145265 2.034515 
14.86452 
1 1 1 11  11  35 o 22.35991 6.730137  64.50022       102.4942 -90.11909      
234.2667 101.1032       113.9822 22.22473 10.34439 22.49508 8.612355 
-0.2703457     13.46027 
1 1 1 11  11  36 o 38.30536 6.952813  321.1203       109.8172 641.6622       
204.7098 191.6008       130.1259 49.12580 10.25973 27.48492 9.386394 21.64088 
13.90563 
1 1 1 11  11  37 f 22.78816 7.094201  -16.75868      112.3446 257.4601       
237.1819 -96.07764      127.5620 29.92735 12.11960 15.64898 7.377407 14.27836 
14.18840 
1 1 1 11  11  38 o 18.02180 5.986838  -69.22037      116.2216 -379.0525      
245.6892 20.09736       131.9142 17.27971 8.598095 18.76389 8.333168 -1.484177 
11.97368 
1 1 1 11  11  39 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  12  0  o 77.32332 2.655617  1248.746       84.61487 1218.063       
109.0122 1295.248       134.2047 76.14265 3.410108 78.50398 4.071899 -2.361336 
5.311234 
1 1 1 11  12  1  o 189.9117 2.824652  7512.315       218.9404 7860.081       
357.5871 7303.765       276.9128 193.3740 4.404583 186.4495 3.537552 6.924515 
5.649303 
1 1 1 11  12  2  o 232.0177 2.996693  11312.85       281.2148 11310.04       
353.1553 11317.73       464.8852 232.0155 3.625516 232.0198 4.772453 
-0.4333496E-02 5.993386 
1 1 1 11  12  3  o 376.6704 4.849765  29939.12       673.5026 30010.01       
783.9856 29739.41       1315.822 377.8005 4.942727 375.5403 8.345677 2.260193 
9.699530 
1 1 1 11  12  4  o 112.8904 2.530273  2679.726       119.7785 2530.171       
169.5082 2828.872       169.2767 109.7392 3.679172 116.0416 3.474597 -6.302452 
5.060546 
1 1 1 11  12  5  o 245.7815 3.985237  12662.14       400.8700 12903.92       
646.0276 12510.75       511.1870 247.6291 6.213988 243.9339 4.991472 3.695206 
7.970473 
1 1 1 11  12  6  f 142.3062 2.898610  4266.601       165.6615 4293.706       
206.5042 4217.663       277.4760 142.9644 3.440504 141.6480 4.665907 1.316422 
5.797220 
1 1 1 11  12  7  o 277.2646 5.222568  16173.15       606.5573 15900.24       
827.3155 16490.35       891.9268 274.7663 7.171809 279.7630 7.593814 -4.996674 
10.44514 
1 1 1 11  12  8  o 137.6210 2.960393  3988.454       170.6933 3771.675       
244.5364 4194.449       238.3750 133.9604 4.347984 141.2816 4.018797 -7.321167 
5.920785 
1 1 1 11  12  9  o 159.2916 3.154052  5359.293       207.4309 5483.515       
271.5873 5185.372       321.3563 161.5381 4.004568 157.0452 4.873974 4.492905 
6.308105 
1 1 1 11  12  10 o 232.8997 8.306173  11464.29       809.4329 11835.45       
1202.544 11156.84       1094.492 236.2668 12.12326 229.5327 11.35767 6.734146 
16.61235 
1 1 1 11  12  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  12  12 o 305.4925 9.039359  19466.60       1083.148 18837.01       
1306.045 20853.61       1938.511 298.3451 10.42702 312.6399 14.76879 -14.29480 
18.07872 
1 1 1 11  12  13 o 105.4447 4.348145  2293.022       185.5039 2171.027       
230.4245 2517.713       312.7156 101.5776 5.403211 109.3119 6.814014 -7.734375 
8.696291 
1 1 1 11  12  14 o 38.98714 7.596937  328.5865       126.2304 314.9494       
161.9693 349.6831       201.4554 37.89150 10.02475 40.08278 11.41745 -2.191280 
15.19387 
1 1 1 11  12  15 f 109.5504 4.020024  2534.195       169.5066 2509.442       
308.4173 2544.908       202.8981 109.0972 6.733582 110.0035 4.393318 
-0.9062729     8.040049 
1 1 1 11  12  16 o 65.10264 4.424569  877.2831       111.7761 935.8549       
204.0514 852.1728       133.6044 66.57710 7.300218 63.62817 5.001408 2.948929 
8.849138 
1 1 1 11  12  17 o 127.9444 3.840981  3387.387       195.7452 3641.597       
340.2863 3261.669       239.3011 131.4001 6.168360 124.4886 4.578635 6.911484 
7.681963 
1 1 1 11  12  18 o 48.27629 4.749683  484.2736       87.53982 512.0530       
164.0571 473.2159       103.5066 49.16567 7.947931 47.38691 5.202725 1.778759 
9.499367 
1 1 1 11  12  19 o 134.6952 4.020740  3807.538       217.1708 3903.041       
368.1216 3756.557       268.9606 135.8774 6.453049 133.5130 4.798287 2.364471 
8.041480 
1 1 1 11  12  20 o 208.6254 6.514209  9154.112       483.1022 9549.945       
1005.959 9035.455       550.7717 210.6072 11.37701 206.6437 6.348492 3.963531 
13.02842 
1 1 1 11  12  21 o 82.36889 3.839602  1466.034       120.6614 1355.369       
218.7242 1514.446       144.6659 79.96161 6.515330 84.77617 4.064560 -4.814560 
7.679204 
1 1 1 11  12  22 o 74.76534 3.668617  1164.147       105.2263 1224.934       
195.3284 1139.292       124.8995 76.01759 6.120296 73.51308 4.046850 2.504501 
7.337235 
1 1 1 11  12  23 o 161.6781 4.515199  5740.331       276.6832 5087.516       
500.6536 6027.379       331.9863 154.4157 7.722660 168.9405 4.680663 -14.52478 
9.030397 
1 1 1 11  12  24 o 33.41001 6.539071  207.3605       90.00443 369.7093       
168.6085 142.6639       106.4377 40.63372 9.949657 26.18631 8.487762 14.44741 
13.07814 
1 1 1 11  12  25 o 135.4354 3.899269  3887.718       209.5038 3867.849       
360.4372 3897.855       257.4624 134.9871 6.360018 135.8837 4.513021 
-0.8966217     7.798538 
1 1 1 11  12  26 o 39.14448 6.110334  293.4857       93.76253 515.6234       
171.3352 198.5202       112.0259 48.27747 8.777384 30.01149 8.503074 18.26598 
12.22067 
1 1 1 11  12  27 o 98.98877 3.818970  2173.312       141.9842 1862.897       
258.2255 2307.828       169.9867 93.42711 6.583356 104.5504 3.872667 -11.12331 
7.637940 
1 1 1 11  12  28 o 133.0863 3.459569  3805.564       185.7549 3591.476       
303.7465 3933.463       234.7734 129.8356 5.572351 136.3369 4.101630 -6.501343 
6.919138 
1 1 1 11  12  29 o 82.47299 3.558364  1420.216       113.2824 1521.608       
208.7145 1377.873       134.8783 84.29674 5.897431 80.64925 3.983483 3.647491 
7.116729 
1 1 1 11  12  30 o 52.68758 4.735717  626.3282       90.73486 547.1797       
173.7550 656.0038       106.3935 49.87417 8.298176 55.50098 4.565998 -5.626808 
9.471434 
1 1 1 11  12  31 o 33.81590 6.304814  303.4805       109.5958 -64.85381      
220.5019 424.3265       126.3012 23.55024 10.60324 44.08156 6.824511 -20.53133 
12.60963 
1 1 1 11  12  32 o 40.41571 6.723326  448.0891       104.0373 226.6162       
222.7203 509.9027       117.6635 32.41625 12.13686 48.41518 5.788702 -15.99893 
13.44665 
1 1 1 11  12  33 o 46.52161 6.725046  476.4319       105.5651 593.2726       
239.5227 448.2651       117.6031 47.97506 11.92785 45.06818 6.215409 2.906879 
13.45009 
1 1 1 11  12  34 o 22.14534 6.684867  20.47310       103.6527 117.9081       
184.2904 -24.61185      125.3606 26.18978 10.65417 18.10089 8.077027 8.088888 
13.36973 
1 1 1 11  12  35 o 30.92837 7.791664  185.8858       112.6046 410.3743       
235.0814 119.0414       128.2785 37.89531 12.61613 23.96143 9.147322 13.93388 
15.58333 
1 1 1 11  12  36 o 100.0079 4.749466  2132.679       167.6787 2676.792       
363.2528 1985.348       189.0219 105.1531 8.228255 94.86272 4.746107 10.29041 
9.498932 
1 1 1 11  12  37 o 25.16053 7.390003  126.8496       113.7998 161.2064       
237.2235 116.5798       129.6976 27.15094 11.63582 23.17012 9.113519 3.980822 
14.78001 
1 1 1 11  12  38 f 30.91407 7.244084  305.4112       117.1293 159.0137       
238.1549 352.1214       134.5236 25.95354 11.39244 35.87461 8.950938 -9.921072 
14.48817 
1 1 1 11  12  39 o 26.50056 6.372821  201.8752       114.5873 -127.6717      
198.7975 365.8390       140.2253 17.91915 8.663267 35.08197 9.348755 -17.16282 
12.74564 
1 1 1 11  13  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  13  1  o 156.0648 3.482516  5106.028       223.3869 5200.841       
355.6069 5044.226       287.1060 157.2295 5.387127 154.9000 4.414809 2.329483 
6.965032 
1 1 1 11  13  2  o 125.1416 2.200848  3253.568       112.9162 3453.294       
182.6980 3130.122       143.6337 128.2067 3.394252 122.0766 2.802495 6.130112 
4.401696 
1 1 1 11  13  3  o 530.4399 5.128746  59245.90       1122.386 59476.69       
1759.875 59087.66       1457.207 531.1305 7.892264 529.7493 6.551969 1.381226 
10.25749 
1 1 1 11  13  4  o 95.95123 2.467036  1934.133       99.35102 1999.906       
141.2303 1869.698       139.7879 97.56696 3.447834 94.33551 3.529518 3.231453 
4.934071 
1 1 1 11  13  5  o 226.1580 3.931308  10759.16       373.2712 10818.49       
528.8348 10700.25       526.9407 226.7798 5.554393 225.5361 5.565019 1.243683 
7.862615 
1 1 1 11  13  6  o 220.2152 3.639198  10257.05       318.9939 10386.90       
394.2734 10010.98       542.7693 222.3088 4.224369 218.1217 5.927036 4.187134 
7.278396 
1 1 1 11  13  7  o 228.5097 4.132038  11017.51       393.3218 11251.68       
527.6060 10724.57       590.1093 231.2863 5.433516 225.7331 6.226705 5.553177 
8.264075 
1 1 1 11  13  8  o 47.98812 4.151440  475.5291       81.71352 349.0693       
108.3747 642.1404       124.3954 40.72240 6.338926 55.25384 5.362447 -14.53143 
8.302880 
1 1 1 11  13  9  o 237.8778 4.450140  11915.00       437.7622 11932.98       
571.9847 11889.56       680.1484 238.1516 5.720737 237.6039 6.818222 0.5476837 
8.900280 
1 1 1 11  13  10 o 74.66431 4.895386  1184.792       151.2380 952.1225       
213.4061 1419.552       214.3628 67.20907 7.563101 82.11956 6.217614 -14.91049 
9.790772 
1 1 1 11  13  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  13  12 o 182.4613 6.110402  6943.800       439.3781 6785.076       
533.0804 7280.077       775.9260 179.4272 7.076612 185.4954 9.963414 -6.068161 
12.22080 
1 1 1 11  13  13 o 161.5657 4.430887  5380.934       283.3703 5161.153       
343.9052 5845.700       500.1047 156.6184 5.230185 166.5129 7.153755 -9.894531 
8.861774 
1 1 1 11  13  14 o 125.3588 3.721601  3356.076       183.3497 3165.878       
317.0429 3451.652       224.7440 122.5914 6.159978 128.1262 4.178029 -5.534782 
7.443202 
1 1 1 11  13  15 o 94.53976 3.877920  1853.317       138.2860 1947.317       
264.1629 1817.833       162.3011 96.10412 6.547128 92.97540 4.157905 3.128716 
7.755841 
1 1 1 11  13  16 o 155.3331 5.101637  4844.585       265.2490 5518.823       
613.8595 4689.796       294.1245 161.3852 9.059959 149.2810 4.692968 12.10419 
10.20327 
1 1 1 11  13  17 o 46.71623 5.791289  488.0660       95.90898 435.7936       
186.9311 506.7428       111.7370 44.39441 10.23232 49.03806 5.427310 -4.643654 
11.58258 
1 1 1 11  13  18 o 195.4309 5.429267  8027.930       420.8474 8274.332       
730.6448 7905.595       514.8274 197.3838 8.816900 193.4780 6.337985 3.905807 
10.85853 
1 1 1 11  13  19 o 76.88461 3.521494  1236.494       108.1480 1277.972       
185.2401 1215.046       133.2071 77.80555 5.670814 75.96368 4.176787 1.841866 
7.042988 
1 1 1 11  13  20 o 134.2285 4.249648  3764.914       220.9480 3927.511       
402.4348 3694.753       264.3539 136.0945 7.043298 132.3624 4.757096 3.732056 
8.499295 
1 1 1 11  13  21 o 114.5698 3.532867  2821.236       158.0418 2633.473       
275.7227 2913.110       192.8699 111.5493 5.887445 117.5903 3.906737 -6.040993 
7.065734 
1 1 1 11  13  22 o 107.1115 3.662503  2318.661       151.9156 2702.317       
283.4965 2164.116       179.9300 112.9276 5.979554 101.2955 4.230915 11.63203 
7.325005 
1 1 1 11  13  23 o 203.0969 4.912023  8757.330       401.6392 8832.008       
671.7026 8715.769       501.0848 203.3938 7.866115 202.7999 5.885244 0.5939026 
9.824045 
1 1 1 11  13  24 o 39.38065 5.880442  331.1880       88.12354 355.1484       
164.5785 321.5571       104.3417 39.83585 9.876896 38.92544 6.384772 0.9104156 
11.76088 
1 1 1 11  13  25 o 58.00811 3.673845  687.1129       85.11716 790.5524       
149.0351 637.0404       103.6920 61.08198 5.811612 54.93425 4.495965 6.147736 
7.347690 
1 1 1 11  13  26 o 79.68114 3.574743  1324.257       111.9470 1397.719       
199.0075 1290.251       135.4014 81.16959 5.839788 78.19270 4.124564 2.976898 
7.149487 
1 1 1 11  13  27 o 33.35303 6.710134  225.8674       93.85751 326.8569       
167.0171 179.2539       113.4693 38.03676 10.23317 28.66930 8.682498 9.367466 
13.42027 
1 1 1 11  13  28 o 86.42448 3.850212  1661.970       131.4757 1344.344       
213.8003 1855.126       166.7270 79.24479 6.426266 93.60417 4.242597 -14.35938 
7.700423 
1 1 1 11  13  29 o 48.04425 4.365687  514.2982       77.60188 452.7946       
145.3786 538.8056       91.76966 45.69677 7.577674 50.39173 4.337714 -4.694962 
8.731375 
1 1 1 11  13  30 o 177.8272 3.207454  6675.491       205.8161 6844.611       
417.7835 6621.293       236.5065 178.6703 5.569550 176.9842 3.182948 1.686020 
6.414907 
1 1 1 11  13  31 o 64.42601 5.047366  869.8979       123.6784 1004.816       
236.9112 819.3537       145.0063 67.19558 8.397807 61.65643 5.601825 5.539146 
10.09473 
1 1 1 11  13  32 o 32.09482 7.591481  230.7659       109.9237 243.7723       
220.8049 226.4803       126.7463 33.09939 12.13734 31.09025 9.121802 2.009140 
15.18296 
1 1 1 11  13  33 o 22.72063 6.974449  12.11658       100.2388 103.2343       
224.3427 -10.61162      112.0452 27.63857 11.55453 17.80268 7.814386 9.835886 
13.94890 
1 1 1 11  13  34 o 49.84610 7.029959  587.6136       118.7105 655.0250       
260.6067 569.9639       133.3485 49.14534 12.57762 50.54687 6.283695 -1.401527 
14.05992 
1 1 1 11  13  35 o 37.18198 7.381768  383.0697       113.9125 283.7998       
244.9096 410.4741       128.6787 32.86441 12.61209 41.49954 7.674442 -8.635132 
14.76354 
1 1 1 11  13  36 o 57.38157 7.089561  957.1814       135.5812 624.9315       
263.4370 1076.897       158.1320 45.37548 13.09892 69.38766 5.428234 -24.01218 
14.17912 
1 1 1 11  13  37 o 22.76495 6.994139  71.54995       114.4671 -4.772262      
241.8455 93.58353       129.9437 23.36322 10.73098 22.16668 8.973186 1.196539 
13.98828 
1 1 1 11  13  38 o 19.21355 6.295103  -23.69879      113.5114 -143.2664      
226.8372 16.24413       131.1075 19.64517 9.441783 18.78194 8.328626 0.8632240 
12.59021 
1 1 1 11  13  39 o 53.18653 6.976124  845.7267       136.0926 769.2170       
245.2883 879.7535       163.5795 46.66767 12.33202 59.70540 6.525840 -13.03773 
13.95225 
1 1 1 11  14  0  o 171.4263 3.801732  6168.261       273.0308 5942.288       
371.7782 6432.819       402.2695 168.0363 5.269895 174.8163 5.480955 -6.780060 
7.603464 
1 1 1 11  14  1  o 66.04210 4.359989  917.0555       120.8886 0.000000       
0.000000 917.0555       120.8886 ?        ?        66.04210 4.359989 ? ? 
1 1 1 11  14  2  o 218.0067 5.746647  10003.48       525.9728 10003.48       
525.9728 0.000000       0.000000 218.0067 5.746647 ?        ?        ? ? 
1 1 1 11  14  3  o 298.7092 5.855113  18110.19       443.7492 17932.12       
467.1672 19753.95       1419.371 292.1098 3.809319 305.3085 11.07332 -13.19876 
11.71023 
1 1 1 11  14  4  o 274.8317 3.861885  15926.65       422.7989 16004.25       
521.9698 15778.59       720.9819 275.9059 4.506148 273.7575 6.273058 2.148315 
7.723771 
1 1 1 11  14  5  o 273.1460 3.699853  15773.39       384.9456 15885.38       
457.6429 15502.49       711.8020 274.9297 3.964844 271.3622 6.247853 3.567444 
7.399707 
1 1 1 11  14  6  o 259.9973 3.839401  14199.24       389.3175 14162.61       
470.1126 14279.21       694.5574 259.5678 4.313920 260.4267 6.352487 
-0.8588562     7.678802 
1 1 1 11  14  7  o 65.59312 3.033346  894.9846       83.03709 777.0875       
111.5812 1041.320       124.3120 60.80035 4.371253 70.38589 4.206769 -9.585537 
6.066693 
1 1 1 11  14  8  o 206.6584 3.817375  8915.406       317.6740 9226.439       
534.8208 8745.846       394.8820 209.3618 6.084598 203.9550 4.611626 5.406815 
7.634751 
1 1 1 11  14  9  o 177.6246 3.574448  6620.506       261.6559 6715.229       
412.7603 6556.869       338.3186 178.6526 5.503127 176.5966 4.563148 2.056046 
7.148897 
1 1 1 11  14  10 o 95.18681 3.776540  1937.604       148.2387 2136.473       
198.8711 1688.952       222.3748 100.7976 4.699403 89.57607 5.913090 11.22148 
7.553081 
1 1 1 11  14  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  14  12 o 301.5927 7.220591  19304.02       869.1234 19136.10       
1475.421 19393.25       1075.537 300.1652 11.70784 303.0203 8.454240 -2.855133 
14.44118 
1 1 1 11  14  13 o 99.79964 3.928190  2111.957       155.7030 2048.990       
265.6760 2144.899       192.1631 98.61122 6.417222 100.9881 4.532324 -2.376839 
7.856380 
1 1 1 11  14  14 f 133.3459 4.394467  3545.784       218.4496 4188.168       
436.2990 3330.870       252.3598 140.8685 7.377199 125.8234 4.777270 15.04509 
8.788935 
1 1 1 11  14  15 o 70.60976 4.242214  1030.632       115.0294 1100.421       
213.9630 1002.261       136.4214 72.20543 7.058135 69.01409 4.708318 3.191338 
8.484428 
1 1 1 11  14  16 o 118.3072 3.945196  2905.440       181.6755 3066.225       
329.0043 2834.906       217.9113 120.5464 6.500826 116.0680 4.471861 4.478363 
7.890392 
1 1 1 11  14  17 o 66.12817 4.021649  866.4724       97.96181 1039.598       
200.0185 811.8406       112.3602 70.14809 6.791651 62.10826 4.309075 8.039833 
8.043299 
1 1 1 11  14  18 o 60.86800 4.681494  821.2455       107.4825 692.8721       
193.3460 878.6604       129.3032 57.15594 8.057400 64.58006 4.769051 -7.424118 
9.362988 
1 1 1 11  14  19 o 104.7900 3.473757  2276.471       141.7560 2419.125       
256.8771 2214.007       169.9819 107.0285 5.716720 102.5514 3.948045 4.477142 
6.947514 
1 1 1 11  14  20 o 81.89157 3.544866  1431.413       110.9134 1375.972       
202.7489 1455.090       132.4970 80.65394 5.987616 83.12921 3.796413 -2.475273 
7.089731 
1 1 1 11  14  21 o 23.91245 6.404303  71.10930       79.27168 146.5742       
157.6192 45.55833       91.71500 28.43115 10.27136 19.39375 7.652426 9.037403 
12.80861 
1 1 1 11  14  22 o 91.83510 3.474561  1740.681       120.6667 1876.986       
230.8118 1689.417       141.5512 94.12977 5.840528 89.54043 3.765438 4.589340 
6.949122 
1 1 1 11  14  23 o 144.7984 3.587697  4461.828       213.1146 4287.632       
335.8678 4579.229       275.7312 142.3012 5.621872 147.2956 4.458791 -4.994476 
7.175393 
1 1 1 11  14  24 o 112.5328 3.241050  2725.759       148.0256 2448.469       
235.1552 2907.745       190.5050 107.6077 5.205137 117.4579 3.863182 -9.850174 
6.482100 
1 1 1 11  14  25 f 72.78692 3.922253  1103.603       110.1355 1167.731       
202.6902 1076.737       131.1926 74.14556 6.511314 71.42828 4.374821 2.717285 
7.844506 
1 1 1 11  14  26 o 61.45106 4.508723  859.7213       106.4218 640.0126       
177.5269 982.9659       132.9611 54.70382 7.729788 68.19830 4.643784 -13.49447 
9.017447 
1 1 1 11  14  27 o 21.87845 6.434744  24.55259       88.69473 67.44057       
168.8323 8.204304       104.2375 25.29806 10.23335 18.45885 7.803993 6.839207 
12.86949 
1 1 1 11  14  28 o 79.89148 3.807145  1335.551       112.2904 1407.628       
221.7377 1310.692       130.2231 81.05997 6.515598 78.72298 3.940102 2.336983 
7.614290 
1 1 1 11  14  29 o 88.54608 3.535691  1649.136       115.4963 1712.793       
227.5009 1627.032       134.0565 89.38774 6.062145 87.70443 3.640721 1.683311 
7.071383 
1 1 1 11  14  30 o 53.67576 4.984510  665.1205       91.47330 569.7906       
181.2478 697.7003       105.9574 50.08267 8.942065 57.26885 4.406907 -7.186176 
9.969020 
1 1 1 11  14  31 o 35.01290 6.583958  326.1324       104.1179 62.70318       
222.0679 400.3575       117.8771 27.12839 11.42607 42.89742 6.545148 -15.76903 
13.16792 
1 1 1 11  14  32 o 37.77559 7.121878  189.8803       100.8848 692.0138       
247.1905 89.52602       110.5071 53.08700 11.41836 22.46419 8.515018 30.62281 
14.24376 
1 1 1 11  14  33 o 28.69080 7.019360  195.4107       97.10298 47.97552       
234.6808 225.8660       106.6617 26.44564 11.45752 30.93596 8.112395 -4.490324 
14.03872 
1 1 1 11  14  34 o 35.60856 7.625895  318.9346       113.5034 313.9456       
237.4302 320.4125       129.2259 34.83413 12.60425 36.38299 8.587789 -1.548862 
15.25179 
1 1 1 11  14  35 o 71.48700 5.189538  1050.514       130.2902 1442.877       
289.9236 951.2217       145.8472 77.35271 8.927486 65.62128 5.293885 11.73143 
10.37908 
1 1 1 11  14  36 f 34.97786 7.531588  217.2488       115.0266 643.1892       
240.6021 91.05325       130.9625 47.48402 12.04546 22.47171 9.044679 25.01231 
15.06318 
1 1 1 11  14  37 o 27.33350 7.469647  188.5014       114.4692 148.4079       
238.1145 200.5520       130.5432 26.96671 11.61015 27.70029 9.401433 
-0.7335739     14.93929 
1 1 1 11  14  38 o 25.38267 7.116453  166.9505       113.6898 59.31788       
226.2474 203.3097       131.4978 23.55326 10.66504 27.21209 9.425103 -3.658836 
14.23291 
1 1 1 11  14  39 o 39.91843 7.058974  538.2744       121.8558 380.9298       
236.2559 595.3038       142.2349 31.14522 12.28435 48.69164 6.957816 -17.54641 
14.11795 
1 1 1 11  15  0  o 119.3069 2.872228  2986.418       142.3227 2947.765       
187.4355 3039.047       218.7149 118.4117 3.770320 120.2020 4.333988 -1.790329 
5.744455 
1 1 1 11  15  1  o 129.0193 3.068874  3452.763       164.4535 3194.263       
214.5080 3821.322       256.1341 123.2522 4.145433 134.7863 4.526293 -11.53413 
6.137748 
1 1 1 11  15  2  o 174.5734 3.990437  6420.942       291.9357 6332.798       
424.2424 6500.223       402.3462 173.4176 5.826958 175.7292 5.453523 -2.311539 
7.980874 
1 1 1 11  15  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  15  4  o 30.74244 5.917195  193.3501       85.07468 323.4604       
124.3949 79.01587       116.6097 38.43954 7.975156 23.04534 8.743550 15.39421 
11.83439 
1 1 1 11  15  5  o 94.07112 2.523503  1859.313       99.39249 1863.449       
146.1309 1855.753       135.5852 94.16486 3.696360 93.97739 3.436449 0.1874619 
5.047005 
1 1 1 11  15  6  o 262.8508 2.819905  14486.65       308.0156 14766.73       
472.4950 14279.67       406.1859 265.0319 4.246392 260.6697 3.711551 4.362213 
5.639810 
1 1 1 11  15  7  o 111.3451 2.526765  2589.706       117.3513 2477.914       
155.9375 2735.698       178.2016 108.5956 3.420264 114.0946 3.720210 -5.499077 
5.053530 
1 1 1 11  15  8  o 259.4520 3.925258  14151.13       369.5421 14136.10       
426.2393 14196.65       741.5488 259.3390 3.914774 259.5650 6.804788 
-0.2260132     7.850516 
1 1 1 11  15  9  o 208.5399 3.450640  9236.630       283.8254 8882.667       
489.9563 9415.401       348.1993 205.4302 5.680861 211.6496 3.918606 -6.219406 
6.901279 
1 1 1 11  15  10 o 216.4091 5.326262  9906.086       478.9467 10079.07       
636.6046 9680.467       727.0333 218.6719 6.934224 214.1462 8.086582 4.525681 
10.65252 
1 1 1 11  15  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  15  12 o 63.27501 4.179427  865.4353       104.3126 775.3132       
176.4159 913.8820       129.3462 60.63653 6.929860 65.91349 4.674128 -5.276958 
8.358853 
1 1 1 11  15  13 o 199.3728 4.547264  8468.276       372.2780 7915.656       
580.3751 8854.607       485.2613 193.6917 7.137053 205.0540 5.636745 -11.36238 
9.094527 
1 1 1 11  15  14 o 35.95431 6.681586  278.5524       94.10224 284.0892       
182.1364 276.5363       109.9079 36.40559 10.99525 35.50304 7.594664 0.9025497 
13.36317 
1 1 1 11  15  15 o 66.69177 4.526202  983.6401       116.9878 811.1061       
199.3071 1074.331       144.4996 61.94334 7.663891 71.44020 4.817758 -9.496864 
9.052404 
1 1 1 11  15  16 o 144.5308 3.959508  4317.717       212.1916 4586.673       
417.6134 4224.115       246.3634 147.3692 6.749765 141.6923 4.141436 5.676880 
7.919017 
1 1 1 11  15  17 o 215.9701 6.566059  9803.509       537.1622 10186.79       
1014.865 9654.345       633.1186 218.2843 11.07407 213.6558 7.058158 4.628433 
13.13212 
1 1 1 11  15  18 o 143.5544 3.644351  4038.172       179.6377 4893.566       
407.2481 3831.532       200.1630 152.1514 6.375352 134.9573 3.532715 17.19414 
7.288702 
1 1 1 11  15  19 o 47.72538 4.728533  459.7346       83.57859 530.8943       
167.7866 436.2509       96.38802 49.97709 7.996635 45.47366 5.048754 4.503426 
9.457066 
1 1 1 11  15  20 o 94.32535 3.552818  1910.605       127.7126 1800.056       
233.2011 1957.965       152.6371 92.22660 6.022758 96.42410 3.770471 -4.197502 
7.105637 
1 1 1 11  15  21 o 150.0139 3.461400  4741.470       201.0602 4781.368       
363.4964 4723.882       241.3410 150.2941 5.760751 149.7337 3.839128 0.5604401 
6.922800 
1 1 1 11  15  22 o 77.69557 3.462145  1264.580       106.8296 1308.984       
185.2155 1242.444       130.7752 78.62995 5.610614 76.76119 4.057930 1.868759 
6.924290 
1 1 1 11  15  23 o 111.8533 3.565782  2679.680       162.6235 2486.177       
257.8994 2807.406       209.5305 108.3550 5.669209 115.3517 4.326576 -6.996658 
7.131563 
1 1 1 11  15  24 f 173.9105 4.549773  6360.405       306.5757 6575.384       
556.6409 6266.800       367.3046 175.6383 7.548784 172.1827 5.081103 3.455627 
9.099546 
1 1 1 11  15  25 o 80.77100 3.591304  1435.722       106.9783 1259.361       
201.8277 1504.631       126.1585 77.03098 6.240745 84.51101 3.555692 -7.480034 
7.182607 
1 1 1 11  15  26 o 52.98425 4.472854  548.0582       91.57336 725.4656       
175.1693 481.3418       107.4208 58.30533 7.156006 47.66317 5.368172 10.64216 
8.945708 
1 1 1 11  15  27 o 118.6944 3.526051  2958.333       154.4941 3047.018       
303.6311 2927.352       179.4623 119.6085 6.046519 117.7802 3.629291 1.828209 
7.052102 
1 1 1 11  15  28 o 62.62635 4.406833  915.5902       96.24490 696.2256       
188.3252 993.1373       111.9717 56.72466 7.907835 68.52805 3.891893 -11.80339 
8.813665 
1 1 1 11  15  29 o 41.61772 5.625367  361.6526       82.97374 430.0043       
172.6060 341.1108       94.62396 43.29386 9.733319 39.94159 5.642828 3.352268 
11.25073 
1 1 1 11  15  30 o 143.2332 5.308717  4551.610       297.0837 4251.347       
515.2471 4701.146       363.6109 138.5733 8.856394 147.8930 5.856125 -9.319641 
10.61743 
1 1 1 11  15  31 o 52.53246 6.479193  611.3527       117.8780 666.8112       
245.6058 594.7544       134.3650 52.66611 11.42866 52.39881 6.107814 0.2672997 
12.95839 
1 1 1 11  15  32 o 39.40514 7.507074  367.7935       115.4141 387.4088       
232.2016 361.3575       133.0076 39.37950 12.51391 39.43077 8.296190 
-0.5127716E-01 15.01415 
1 1 1 11  15  33 o 33.93069 7.506606  265.6708       104.5860 303.9292       
227.9095 255.4651       117.7119 35.08435 12.38309 32.77702 8.488564 2.307331 
15.01321 
1 1 1 11  15  34 o 39.99429 7.575114  389.0254       116.1264 451.8255       
239.4172 369.7057       132.7928 40.68846 12.67113 39.30012 8.304926 1.388344 
15.15023 
1 1 1 11  15  35 o 61.88271 5.602159  744.3059       129.1279 1286.792       
270.8072 584.6691       146.9035 73.19122 8.812968 50.57421 6.918695 22.61700 
11.20432 
1 1 1 11  15  36 o 25.89534 7.392008  33.88727       115.1099 353.9786       
234.3513 -67.89535      132.1500 34.82964 12.53019 16.96104 7.846117 17.86860 
14.78402 
1 1 1 11  15  37 o 22.85892 6.292774  102.0183       98.35816 -112.8198      
188.4667 182.4355       115.3065 19.00693 8.962446 26.71090 8.835755 -7.703968 
12.58555 
1 1 1 11  15  38 o 58.43819 5.929775  732.4920       130.0136 1243.804       
268.3003 575.5793       148.6302 68.33238 9.352240 48.54400 7.292773 19.78838 
11.85955 
1 1 1 11  15  39 o 59.45844 6.889689  1016.716       142.8453 977.5489       
272.0463 1031.625       167.8450 53.52468 12.34885 65.39218 6.113692 -11.86750 
13.77938 
1 1 1 11  16  0  o 264.7007 5.429325  14758.33       591.0944 14528.73       
760.2641 15109.25       939.8851 262.2949 6.903919 267.1065 8.381300 -4.811584 
10.85865 
1 1 1 11  16  1  o 124.8415 3.080757  3276.368       161.1359 3315.755       
236.2336 3242.098       220.3552 125.5346 4.482284 124.1483 4.227694 1.386284 
6.161514 
1 1 1 11  16  2  o 301.6660 6.599869  19276.18       835.4158 19470.44       
1204.021 19095.82       1160.115 303.0923 9.461938 300.2397 9.203521 2.852509 
13.19974 
1 1 1 11  16  3  o 175.5199 4.447568  6474.844       325.7911 6333.106       
435.4438 6655.073       491.0236 173.3777 5.982188 177.6621 6.583074 -4.284393 
8.895136 
1 1 1 11  16  4  o 107.0495 3.124390  2396.781       139.7233 2538.980       
210.4480 2284.685       186.8478 109.8665 4.562477 104.2325 4.269784 5.633942 
6.248780 
1 1 1 11  16  5  o 49.50658 6.175827  516.3417       128.3622 516.3417       
128.3622 0.000000       0.000000 49.50658 6.175827 ?        ?        ? ? 
1 1 1 11  16  6  o 232.8307 6.049475  11451.95       586.2928 11420.13       
779.4752 11493.41       889.7023 232.5596 7.983424 233.1018 9.091178 
-0.5422516     12.09895 
1 1 1 11  16  7  o 138.1479 2.633507  4011.903       152.7092 4107.190       
215.9609 3916.612       215.9661 139.7908 3.679744 136.5049 3.768411 3.285873 
5.267014 
1 1 1 11  16  8  o 189.7747 3.162211  7568.525       230.5501 7587.477       
422.2348 7560.476       275.1950 189.8736 5.296762 189.6757 3.455811 0.1979218 
6.324422 
1 1 1 11  16  9  o 250.0053 3.628030  13104.92       373.8979 13401.30       
590.4364 12906.50       483.1087 252.3012 5.574101 247.7093 4.645405 4.591858 
7.256059 
1 1 1 11  16  10 o 323.2498 8.904813  22166.00       1149.326 22599.39       
1961.884 21939.54       1418.157 324.9080 14.38249 321.5917 10.50366 3.316223 
17.80963 
1 1 1 11  16  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  16  12 o 163.6219 4.656253  5687.352       298.8580 5526.619       
522.6536 5765.438       364.2891 161.7560 7.696171 165.4879 5.243254 -3.731995 
9.312506 
1 1 1 11  16  13 o 113.3968 3.722266  2762.601       171.0727 2477.695       
272.6568 2947.578       219.6974 108.4255 5.989713 118.3682 4.420904 -9.942665 
7.444532 
1 1 1 11  16  14 o 155.0931 4.922184  5020.631       290.8990 5218.145       
544.7364 4941.833       344.0664 157.0177 8.263400 153.1685 5.350495 3.849243 
9.844368 
1 1 1 11  16  15 o 249.8212 6.197435  13239.78       602.5482 13219.55       
1076.132 13249.02       727.2352 249.2074 10.28551 250.4350 6.916730 -1.227692 
12.39487 
1 1 1 11  16  16 o 159.9450 3.725904  5442.229       218.4569 5288.645       
428.0837 5496.309       254.0230 158.2441 6.443506 161.6459 3.743083 -3.401810 
7.451808 
1 1 1 11  16  17 o 86.23535 3.518641  1536.233       116.1270 1643.290       
217.3679 1493.473       137.3744 88.22746 5.868305 84.24323 3.884114 3.984230 
7.037282 
1 1 1 11  16  18 o 87.32347 3.604842  1616.183       118.4763 1590.808       
223.4498 1626.107       139.7352 86.75031 6.135217 87.89664 3.786644 -1.146339 
7.209685 
1 1 1 11  16  19 o 156.1864 3.457640  5087.495       207.2376 5292.467       
383.5635 5002.992       246.2788 158.2282 5.773971 154.1447 3.805569 4.083511 
6.915280 
1 1 1 11  16  20 o 122.5217 3.029992  3134.301       146.7580 3255.705       
257.0759 3075.607       178.7470 124.1783 4.931020 120.8651 3.522563 3.313179 
6.059985 
1 1 1 11  16  21 o 35.09729 5.763132  282.0495       80.22240 221.5543       
144.9054 308.7853       96.33201 32.02164 9.834857 38.17294 6.010852 -6.151302 
11.52626 
1 1 1 11  16  22 o 122.2062 3.077496  3191.176       151.7609 3000.956       
247.9635 3305.104       191.8995 119.1634 4.956394 125.2489 3.649394 -6.085526 
6.154991 
1 1 1 11  16  23 f 49.16748 4.496942  464.0195       85.31071 642.3501       
164.5714 398.4895       99.76115 54.94077 7.134781 43.39419 5.475843 11.54658 
8.993884 
1 1 1 11  16  24 o 44.37569 5.615548  467.6310       89.18710 344.9624       
165.4963 517.8375       105.8770 39.25825 10.00872 49.49314 5.095393 -10.23489 
11.23110 
1 1 1 11  16  25 o 87.85446 3.359645  1650.225       109.0345 1589.614       
210.5700 1672.430       127.4516 86.60027 5.791596 89.10865 3.406799 -2.508377 
6.719290 
1 1 1 11  16  26 o 72.27180 3.420504  988.0067       91.15820 1359.750       
190.3942 877.4448       103.8330 80.05090 5.665112 64.49271 3.834826 15.55819 
6.841008 
1 1 1 11  16  27 o 20.55191 5.938218  47.20012       69.22697 -6.331274      
159.7819 59.57082       76.81052 22.02944 9.497835 19.07437 7.130278 2.955067 
11.87644 
1 1 1 11  16  28 o 73.59560 3.244306  1222.627       89.53497 975.1644       
159.6425 1336.187       108.1445 67.61902 5.623422 79.57217 3.237162 -11.95315 
6.488612 
1 1 1 11  16  29 o 45.47018 4.904262  369.1124       82.33266 629.2672       
175.6486 295.8583       93.20621 53.79117 7.777763 37.14920 5.976081 16.64198 
9.808524 
1 1 1 11  16  30 o 84.62026 4.774715  1450.556       147.5591 1765.077       
305.1243 1354.545       168.5836 89.62782 8.108771 79.61271 5.043754 10.01511 
9.549431 
1 1 1 11  16  31 o 56.36959 6.533046  746.5125       125.4917 684.6589       
254.7160 766.3383       144.2078 53.17546 11.72467 59.56373 5.766708 -6.388275 
13.06609 
1 1 1 11  16  32 o 30.74304 7.553744  199.5819       104.8506 235.2974       
224.0914 189.5715       118.6380 32.80045 12.19524 28.68562 8.916969 4.114826 
15.10749 
1 1 1 11  16  33 o 61.19359 5.589003  831.5481       124.2887 888.0263       
249.3772 812.8824       143.3632 61.39511 9.674846 60.99206 5.598677 0.4030533 
11.17801 
1 1 1 11  16  34 o 27.54925 7.116829  147.6759       97.81394 246.9454       
188.5984 111.1488       114.4029 31.69844 11.25687 23.40005 8.710902 8.298389 
14.23366 
1 1 1 11  16  35 o 39.74979 7.105283  446.1020       114.1612 283.9191       
242.4605 492.2986       129.4027 32.93383 12.57489 46.56576 6.619081 -13.63194 
14.21057 
1 1 1 11  16  36 o 42.67560 7.396480  432.6407       118.3669 631.7977       
237.2184 366.6158       136.5854 47.18151 11.95552 38.16968 8.711898 9.011829 
14.79296 
1 1 1 11  16  37 o 32.21549 7.790082  261.9994       115.1223 402.2959       
224.4010 211.8851       134.1164 36.07631 12.32620 28.35468 9.529230 7.721626 
15.58016 
1 1 1 11  16  38 o 62.00224 5.137852  934.8848       124.6713 936.4463       
216.6381 934.1116       152.4445 60.39004 8.544579 63.61444 5.707911 -3.224403 
10.27570 
1 1 1 11  16  39 o 36.74323 7.585701  444.1223       120.0971 436.8173       
246.0540 446.4069       137.6011 32.99890 12.64795 40.48755 8.378594 -7.488644 
15.17140 
1 1 1 11  17  0  o 140.2382 2.892049  4067.108       166.8681 3803.217       
212.7646 4488.832       268.9685 134.4572 3.769087 146.0191 4.387456 -11.56189 
5.784098 
1 1 1 11  17  1  o 115.5758 2.959324  2807.167       143.4971 2706.633       
198.5767 2917.038       207.5946 113.4140 4.170450 117.7377 4.199732 -4.323730 
5.918649 
1 1 1 11  17  2  o 37.59353 4.585509  303.6471       70.67036 287.8129       
101.5856 318.4971       98.37760 36.32590 6.910086 38.86115 6.029782 -2.535244 
9.171018 
1 1 1 11  17  3  o 126.4649 3.611021  3353.336       191.0254 3208.652       
257.3295 3530.936       285.1014 123.4503 4.964993 129.4795 5.244685 -6.029243 
7.222041 
1 1 1 11  17  4  o 81.11422 3.079074  1378.927       104.3924 1332.024       
140.1963 1437.294       156.3946 79.57823 4.196270 82.65021 4.507117 -3.071976 
6.158148 
1 1 1 11  17  5  o 176.6192 4.503755  6573.515       333.4399 6508.278       
457.9408 6647.129       486.4610 175.7068 6.207859 177.5317 6.526693 -1.824890 
9.007510 
1 1 1 11  17  6  o 84.81802 4.804031  1513.914       171.0696 0.000000       
0.000000 1513.914       171.0696 ?        ?        84.81802 4.804031 ? ? 
1 1 1 11  17  7  o 176.6281 4.604716  6554.703       332.6826 6682.622       
536.8940 6474.977       423.8622 177.9357 7.186983 175.3204 5.758551 2.615265 
9.209432 
1 1 1 11  17  8  o 184.1154 3.012506  7058.088       230.6324 6647.598       
302.4406 7628.491       356.5168 177.7996 4.051635 190.4312 4.459261 -12.63161 
6.025011 
1 1 1 11  17  9  o 17.84860 5.078686  30.48841       54.30347 37.14693       
99.21662 27.64071       64.88477 19.60598 7.880254 16.09122 6.408884 3.514761 
10.15737 
1 1 1 11  17  10 o 165.1952 4.948436  5642.108       314.7805 6053.159       
583.2535 5473.174       373.9113 169.1882 8.211233 161.2022 5.524827 7.985992 
9.896872 
1 1 1 11  17  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  17  12 o 138.9583 4.218526  4079.705       232.5022 4042.265       
399.9474 4098.816       285.7464 138.3787 6.884220 139.5379 4.877640 -1.159210 
8.437053 
1 1 1 11  17  13 o 47.28895 5.496508  511.8388       92.44366 418.1630       
173.5006 548.9753       109.2415 43.52281 9.740244 51.05510 5.096472 -7.532288 
10.99302 
1 1 1 11  17  14 o 203.6366 3.877747  8785.317       322.9511 8536.760       
515.0637 8946.341       414.5663 201.1526 6.098967 206.1205 4.790645 -4.967865 
7.755493 
1 1 1 11  17  15 o 68.84972 3.338595  963.9359       88.32651 1083.690       
165.9855 916.6302       104.3234 71.68846 5.514956 66.01096 3.764323 5.677498 
6.677190 
1 1 1 11  17  16 o 35.86534 5.161631  362.8417       82.39939 -1.670895      
146.5138 531.4713       99.65274 21.50526 9.177982 50.22542 4.725924 -28.72016 
10.32326 
1 1 1 11  17  17 o 164.3567 4.279713  5828.381       265.5368 5429.198       
490.9624 5993.429       315.6946 160.0465 7.306733 168.6670 4.458186 -8.620514 
8.559426 
1 1 1 11  17  18 o 88.50237 3.452909  1571.034       117.2827 1853.030       
222.9762 1463.176       137.8999 93.64838 5.671257 83.35637 3.940452 10.29201 
6.905818 
1 1 1 11  17  19 o 106.5056 3.276813  2392.125       133.7241 2394.528       
245.8307 2391.115       159.3650 106.4375 5.501264 106.5736 3.561757 
-0.1360703     6.553627 
1 1 1 11  17  20 o 210.9890 5.052224  9425.921       406.5246 9558.333       
754.9167 9371.840       482.4508 211.4713 8.502930 210.5066 5.458941 0.9647369 
10.10445 
1 1 1 11  17  21 o 142.5325 3.557368  4253.459       196.0518 4397.605       
357.4731 4191.451       234.4580 144.0589 5.910501 141.0061 3.960485 3.052872 
7.114736 
1 1 1 11  17  22 o 32.59982 6.127366  244.1158       81.70053 189.8090       
151.9674 266.1935       96.89480 30.39847 10.14360 34.80117 6.876469 -4.402700 
12.25473 
1 1 1 11  17  23 o 80.39647 3.290845  1350.894       101.1884 1398.389       
188.1263 1331.560       120.0301 81.28671 5.512531 79.50622 3.595922 1.780495 
6.581691 
1 1 1 11  17  24 o 35.50830 5.116187  265.8980       66.68316 291.0418       
131.8198 257.2509       77.30376 36.14336 8.764910 34.87324 5.279945 1.270119 
10.23237 
1 1 1 11  17  25 o 31.66693 6.396778  210.3844       78.55338 230.0798       
167.6454 204.8437       88.91893 32.91988 10.65045 30.41398 7.088232 2.505894 
12.79356 
1 1 1 11  17  26 o 85.56850 3.557000  1582.346       107.7183 1491.707       
220.3001 1610.824       123.4869 83.71404 6.268122 87.42296 3.364469 -3.708923 
7.114001 
1 1 1 11  17  27 o 148.9820 3.904274  4744.087       216.5277 4669.635       
415.0224 4771.932       253.8087 147.7185 6.692028 150.2455 4.023705 -2.526962 
7.808549 
1 1 1 11  17  28 o 29.42544 5.914802  217.2969       80.14113 32.58270       
166.3090 273.1616       91.46059 23.68172 9.927107 35.16916 6.433667 -11.48743 
11.82960 
1 1 1 11  17  29 o 36.32927 5.357806  293.4130       70.27213 288.3206       
141.8367 295.0696       80.89903 35.47160 9.379452 37.18693 5.181721 -1.715332 
10.71561 
1 1 1 11  17  30 o 35.93803 7.649929  272.5997       111.7155 367.0609       
225.8876 242.0144       128.5354 39.39998 12.31553 32.47608 9.078180 6.923897 
15.29986 
1 1 1 11  17  31 o 17.00312 5.865604  -209.0974      100.7494 -148.2750      
216.4504 -225.9194      113.8324 21.44278 9.966074 12.56347 6.188589 8.879307 
11.73121 
1 1 1 11  17  32 o 35.19697 7.768452  256.8673       114.6470 420.5189       
228.9616 202.1053       132.4471 40.82318 12.32755 29.57075 9.456579 11.25243 
15.53690 
1 1 1 11  17  33 o 38.23508 7.715005  274.9559       118.0912 615.6445       
247.5696 174.6059       134.3622 48.74083 12.13163 27.72933 9.534616 21.01150 
15.43001 
1 1 1 11  17  34 o 32.91087 7.817291  236.9465       113.5065 378.3556       
230.6359 191.7490       130.3904 37.48145 12.49627 28.34028 9.395927 9.141167 
15.63458 
1 1 1 11  17  35 o 36.90168 7.645934  318.1665       114.0655 483.2275       
225.6058 261.4822       132.2085 41.59879 12.15873 32.20457 9.273962 9.394218 
15.29187 
1 1 1 11  17  36 o 44.00185 5.824179  415.4559       99.26594 661.4812       
185.0327 316.0330       117.6256 52.20209 8.442706 35.80161 8.025270 16.40048 
11.64836 
1 1 1 11  17  37 o 36.56720 7.454517  388.7428       118.6835 326.5468       
225.5892 412.5462       139.5586 32.88847 12.23434 40.24593 8.520575 -7.357460 
14.90903 
1 1 1 11  17  38 o 38.95650 7.554379  445.4294       119.1735 455.9071       
238.5656 441.9453       137.5677 36.48421 12.68932 41.42879 8.200954 -4.944584 
15.10876 
1 1 1 11  17  39 o 32.25089 7.344178  357.7490       120.1271 248.1772       
233.8434 397.0306       140.0138 27.15954 11.59317 37.34224 9.019209 -10.18269 
14.68836 
1 1 1 11  18  0  o 270.1670 5.073403  15440.78       572.9941 15193.10       
772.6198 15743.51       854.1763 267.8687 6.870128 272.4652 7.467196 -4.596436 
10.14681 
1 1 1 11  18  1  o 106.9657 2.837887  2386.581       126.6121 2594.451       
192.8863 2229.209       167.8301 111.0120 4.138592 102.9194 3.884130 8.092560 
5.675774 
1 1 1 11  18  2  o 211.9336 4.608612  9490.866       410.0562 9424.729       
579.2125 9557.321       580.6039 211.1902 6.532588 212.6770 6.502501 -1.486832 
9.217224 
1 1 1 11  18  3  o 128.4776 3.372459  3474.677       181.6659 3510.007       
264.4142 3443.088       250.0185 129.0860 4.878951 127.8692 4.657226 1.216843 
6.744918 
1 1 1 11  18  4  o 127.0013 2.972416  3362.944       134.6308 3453.159       
278.7133 3335.488       153.7591 128.0220 5.185544 125.9806 2.907088 2.041359 
5.944831 
1 1 1 11  18  5  o 143.2043 2.931670  4299.671       160.9670 4351.338       
296.5004 4278.081       191.6721 143.7469 4.913014 142.6618 3.200165 1.085098 
5.863340 
1 1 1 11  18  6  o 119.1422 3.011741  2996.294       137.8377 2962.615       
251.5966 3010.738       164.7643 118.6064 5.052633 119.6781 3.279211 -1.071747 
6.023481 
1 1 1 11  18  7  o 275.9224 4.287837  16042.32       496.4415 15328.25       
692.1603 16798.83       712.4268 269.5933 6.115312 282.2516 6.012083 -12.65823 
8.575674 
1 1 1 11  18  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  18  9  o 257.7996 5.369965  14008.36       523.6266 14152.35       
985.7017 13951.76       618.0435 258.3209 9.088809 257.2784 5.721855 1.042511 
10.73993 
1 1 1 11  18  10 o 102.3369 3.711397  2133.645       146.4027 2388.698       
273.3669 2031.070       173.3601 106.4200 6.118485 98.25394 4.202621 8.166008 
7.422795 
1 1 1 11  18  11 o 74.11507 6.243480  1159.000       194.2729 0.000000       
0.000000 1159.000       194.2729 ?        ?        74.11507 6.243480 ? ? 
1 1 1 11  18  12 o 29.09771 5.969097  138.7810       69.76595 293.9460       
145.2306 92.23257       79.54522 36.51093 9.416092 21.68450 7.338781 14.82644 
11.93819 
1 1 1 11  18  13 o 136.9096 3.492856  3981.817       188.1850 3852.430       
326.7657 4046.024       230.1903 135.1446 5.759157 138.6746 3.953768 -3.530029 
6.985712 
1 1 1 11  18  14 o 78.24359 3.353424  1323.229       105.0582 1169.067       
171.4393 1415.934       132.9452 74.45302 5.484652 82.03416 3.860105 -7.581139 
6.706849 
1 1 1 11  18  15 o 103.7898 3.396857  2293.844       137.9182 2203.871       
241.7455 2337.260       167.9286 102.1893 5.634742 105.3903 3.795291 -3.200974 
6.793715 
1 1 1 11  18  16 o 21.88461 5.908526  33.89577       73.69405 150.1639       
134.2531 -16.24526      88.16386 27.73577 9.531336 16.03345 6.985439 11.70233 
11.81705 
1 1 1 11  18  17 o 190.2999 4.386656  7746.653       329.8230 7402.370       
566.0336 7923.640       405.8394 186.8028 7.217386 193.7970 4.988020 -6.994232 
8.773313 
1 1 1 11  18  18 o 126.0409 3.200166  3253.744       153.1742 3576.427       
292.2766 3131.560       179.8508 130.1107 5.350595 121.9712 3.512177 8.139565 
6.400332 
1 1 1 11  18  19 o 266.6094 4.335299  14918.19       448.4845 15429.23       
812.4569 14694.22       537.8561 269.4075 7.183096 263.8112 4.856172 5.596344 
8.670598 
1 1 1 11  18  20 o 166.4973 3.790181  5955.139       245.6091 5613.732       
432.1194 6118.069       298.5169 162.6690 6.327322 170.3257 4.174553 -7.656616 
7.580362 
1 1 1 11  18  21 o 130.2357 3.492541  3504.816       162.8673 3738.174       
338.0317 3434.267       185.8632 132.7759 6.064002 127.6955 3.466880 5.080391 
6.985082 
1 1 1 11  18  22 o 38.58244 5.496435  400.9350       78.16775 163.6082       
148.4442 491.9911       91.94846 28.88702 10.01317 48.27785 4.536466 -19.39083 
10.99287 
1 1 1 11  18  23 o 98.86847 2.701343  2031.819       101.1518 2125.547       
191.7107 1995.659       119.0755 100.3455 4.550610 97.39149 2.912208 2.953957 
5.402685 
1 1 1 11  18  24 o 19.43400 5.894889  -26.11169      74.02879 71.46913       
154.8672 -55.01250      84.28147 24.80507 9.894426 14.06294 6.410864 10.74212 
11.78978 
1 1 1 11  18  25 o 23.05032 6.053994  93.26729       76.46826 -13.65409      
156.2241 126.9559       87.69141 21.64042 9.361521 24.46021 7.678888 -2.819798 
12.10799 
1 1 1 11  18  26 o 89.38144 3.144125  1520.328       101.6002 2034.872       
217.9096 1377.401       114.8475 97.93483 5.299810 80.82804 3.384392 17.10679 
6.288250 
1 1 1 11  18  27 o 60.01976 4.400614  841.9223       91.63799 636.9288       
180.3931 913.2207       106.3872 54.30658 7.912040 65.73294 3.855028 -11.42636 
8.801229 
1 1 1 11  18  28 o 23.78437 6.391551  85.59608       74.63560 114.8679       
165.9989 78.17934       83.55769 26.88400 10.36763 20.68475 7.477967 6.199244 
12.78310 
1 1 1 11  18  29 o 72.37576 3.219866  1177.533       83.79217 987.7134       
161.9149 1246.964       97.92481 67.90289 5.679623 76.84863 3.035133 -8.945732 
6.439732 
1 1 1 11  18  30 o 31.97641 7.714185  215.7662       112.3496 228.6215       
228.7735 211.6805       128.9735 33.41034 12.34191 30.54247 9.258071 2.867865 
15.42837 
1 1 1 11  18  31 o 66.05728 5.248114  936.3136       129.4604 1022.530       
251.9254 905.3759       150.9109 67.35945 8.908294 64.75510 5.550955 2.604347 
10.49623 
1 1 1 11  18  32 o 93.86782 3.903377  1897.781       139.1991 1950.874       
260.2368 1876.503       164.7484 94.11608 6.586065 93.61956 4.191558 0.4965210 
7.806755 
1 1 1 11  18  33 o 45.29186 7.100192  481.4819       117.2672 531.8960       
240.0841 465.6857       134.3888 44.99166 12.34331 45.59207 7.020935 
-0.6004105     14.20038 
1 1 1 11  18  34 o 75.75526 4.785847  1350.535       135.5400 1149.507       
244.5258 1439.693       162.8462 70.18244 8.298839 81.32807 4.769340 -11.14563 
9.571693 
1 1 1 11  18  35 o 41.87060 6.340635  453.4867       101.9050 369.7907       
184.4782 490.2410       122.2495 37.11935 11.03659 46.62185 6.245667 -9.502495 
12.68127 
1 1 1 11  18  36 o 21.96627 6.838282  -29.20872      104.8242 191.4314       
219.4456 -94.43681      119.3169 28.62264 11.63202 15.30989 7.193367 13.31276 
13.67656 
1 1 1 11  18  37 o 19.85789 6.526101  -139.2040      113.6303 139.3721       
221.9139 -238.2003      132.2885 26.37512 11.27707 13.34067 6.571728 13.03445 
13.05220 
1 1 1 11  18  38 o 29.07355 7.595359  243.7429       116.7748 238.3671       
228.6784 245.6393       135.8181 28.55007 11.78304 29.59704 9.587384 -1.046965 
15.19072 
1 1 1 11  18  39 o 24.64246 7.330728  160.6488       117.8530 205.7669       
233.6451 145.2520       136.4885 25.95417 11.33907 23.33074 9.294287 2.623432 
14.66146 
1 1 1 11  19  0  o 434.6386 5.997846  40602.05       1020.721 39392.86       
1787.880 41186.75       1243.248 428.5284 9.937562 440.7487 6.718741 -12.22034 
11.99569 
1 1 1 11  19  1  o 65.56612 2.448272  878.0812       59.67196 961.9026       
117.8304 849.1692       69.20210 67.57362 4.153375 63.55862 2.593378 4.014992 
4.896543 
1 1 1 11  19  2  o 108.7879 2.500946  2405.213       97.87366 2656.243       
203.5478 2329.718       111.6248 112.2910 4.317602 105.2847 2.525320 7.006271 
5.001893 
1 1 1 11  19  3  o 59.45628 2.695656  756.6086       62.90315 707.6194       
108.7919 781.2113       77.09692 57.95731 4.471047 60.95525 3.012638 -2.997948 
5.391313 
1 1 1 11  19  4  o 91.67908 2.369045  1805.034       86.13348 1649.479       
144.9834 1889.884       107.0783 88.53143 3.900693 94.82671 2.689626 -6.295280 
4.738090 
1 1 1 11  19  5  o 250.8938 3.968261  13299.31       415.5534 13092.42       
619.5048 13468.54       560.3067 249.0457 5.924977 252.7418 5.280437 -3.696030 
7.936521 
1 1 1 11  19  6  o 216.3533 3.475542  9879.382       311.6281 9753.552       
479.1627 9971.616       410.2386 215.0914 5.306167 217.6152 4.490229 -2.523727 
6.951083 
1 1 1 11  19  7  o 76.48259 2.722448  1184.547       81.58765 1358.178       
148.5180 1109.502       97.64013 80.32006 4.404291 72.64513 3.201422 7.674934 
5.444895 
1 1 1 11  19  8  o 141.2483 3.085037  4286.888       162.4444 4009.095       
307.0597 4394.850       191.4259 137.9101 5.303319 144.5866 3.153507 -6.676453 
6.170073 
1 1 1 11  19  9  o 26.08774 6.220966  149.4670       67.27333 0.000000       
0.000000 149.4670       67.27333 ?        ?        26.08774 6.220966 ? ? 
1 1 1 11  19  10 o 170.0955 7.989585  6131.717       570.5529 6131.717       
570.5529 0.000000       0.000000 170.0955 7.989585 ?        ?        ? ? 
1 1 1 11  19  11 o 121.7012 5.500770  3139.076       280.9610 3184.919       
394.0902 3091.690       400.6691 122.6229 7.654997 120.7795 7.901577 1.843452 
11.00154 
1 1 1 11  19  12 o 104.1552 3.145945  2262.354       125.0463 2337.564       
233.3279 2232.048       148.1126 105.2907 5.278342 103.0196 3.424469 2.271156 
6.291891 
1 1 1 11  19  13 f 113.7502 3.249377  2648.854       143.6883 2928.874       
263.5186 2530.374       171.4122 117.8378 5.326571 109.6626 3.723097 8.175209 
6.498754 
1 1 1 11  19  14 o 100.5117 3.274727  2086.286       131.3091 2263.979       
227.9699 1998.063       160.6318 103.5962 5.241489 97.42716 3.927105 6.169044 
6.549455 
1 1 1 11  19  15 o 51.92048 3.937601  606.9779       79.68029 446.5454       
128.7978 706.4492       101.4171 45.92581 6.679940 57.91516 4.170997 -11.98935 
7.875203 
1 1 1 11  19  16 o 142.3444 3.304880  4274.473       190.8145 4265.458       
313.0021 4279.805       240.7181 142.1415 5.245025 142.5472 4.022267 
-0.4057770     6.609759 
1 1 1 11  19  17 o 200.8327 4.689699  8564.480       359.8728 8517.430       
663.1585 8584.120       428.4459 200.0284 7.896719 201.6371 5.061121 -1.608612 
9.379398 
1 1 1 11  19  18 o 190.6593 3.417117  7703.856       269.3159 7499.626       
416.1406 7851.042       353.2747 188.3759 5.261819 192.9426 4.361195 -4.566772 
6.834234 
1 1 1 11  19  19 o 55.16134 4.015652  628.7388       88.41211 693.3932       
153.7874 596.8209       108.0536 57.16538 6.407797 53.15730 4.841692 4.008080 
8.031304 
1 1 1 11  19  20 o 153.0840 3.138299  5011.644       175.7607 4810.870       
344.2728 5082.420       204.4059 150.7765 5.438637 155.3915 3.133194 -4.614975 
6.276597 
1 1 1 11  19  21 o 45.59973 4.485229  395.7614       74.68536 537.2546       
158.0509 355.0838       84.74364 50.20651 7.498216 40.99296 4.924010 9.213551 
8.970458 
1 1 1 11  19  22 o 71.15923 3.456347  1078.785       90.27051 1051.078       
176.6017 1088.585       105.0280 70.42329 5.973097 71.89518 3.479578 -1.471893 
6.912695 
1 1 1 11  19  23 o 152.1372 3.028992  4791.291       159.9187 5047.972       
346.0816 4721.604       180.3249 154.4682 5.336549 149.8062 2.867128 4.662018 
6.057985 
1 1 1 11  19  24 o 125.0621 3.611384  3273.820       163.7813 3377.916       
330.9424 3240.055       188.4810 126.1270 6.249791 123.9973 3.620566 2.129677 
7.222768 
1 1 1 11  19  25 o 55.33611 3.952801  569.7173       76.17285 800.4909       
174.1290 515.1050       84.70781 61.27610 6.768634 49.39612 4.084620 11.87998 
7.905602 
1 1 1 11  19  26 f 48.28322 5.192792  498.1426       86.63450 525.8835       
179.6413 489.7353       98.89488 48.50108 9.156582 48.06536 4.900751 0.4357109 
10.38558 
1 1 1 11  19  27 o 43.35138 5.321774  372.0730       83.25733 501.3288       
171.1977 332.0329       95.28416 47.25026 8.955011 39.45250 5.752640 7.797760 
10.64355 
1 1 1 11  19  28 o 39.94249 5.828637  454.2962       86.14561 151.8440       
172.3545 555.0150       99.46022 28.77730 10.69604 51.10769 4.635368 -22.33039 
11.65727 
1 1 1 11  19  29 o 29.67022 5.379463  229.5966       83.09173 -87.08350      
167.2715 333.3394       95.73937 19.92880 9.070577 39.41165 5.786114 -19.48285 
10.75893 
1 1 1 11  19  30 o 43.53518 7.028805  455.2892       114.3825 388.3878       
228.4834 477.6629       132.1318 40.20284 12.35002 46.86752 6.715161 -6.664673 
14.05761 
1 1 1 11  19  31 o 60.49014 5.666029  794.5480       126.2824 862.0123       
250.0347 771.4459       146.3152 61.33821 9.709351 59.64207 5.843294 1.696140 
11.33206 
1 1 1 11  19  32 o 25.33670 6.871376  114.1335       92.90695 133.4539       
182.8680 107.4114       107.8652 27.40613 10.80823 23.26727 8.487952 4.138853 
13.74275 
1 1 1 11  19  33 o 27.09905 7.250264  154.4479       110.2702 76.34881       
211.1110 183.7505       129.3125 26.11945 11.07753 28.07865 9.357010 -1.959200 
14.50053 
1 1 1 11  19  34 o 24.78389 6.818180  113.3483       95.68079 148.8843       
172.9041 97.66313       114.8722 26.96761 10.54348 22.60016 8.647852 4.367453 
13.63636 
1 1 1 11  19  35 o 23.65074 6.877813  95.00635       103.6435 5.507113       
214.4829 122.2716       118.3826 23.48841 10.52071 23.81307 8.861820 
-0.3246574     13.75563 
1 1 1 11  19  36 o 21.99121 6.857763  32.64041       111.5003 47.01088       
217.0125 27.48614       129.9670 24.20742 10.72730 19.77500 8.546387 4.432419 
13.71553 
1 1 1 11  19  37 o 63.57557 6.370124  1117.666       130.6675 817.7831       
255.1611 1224.263       152.1287 53.06688 11.76397 74.08426 4.891098 -21.01738 
12.74025 
1 1 1 11  19  38 o 27.26079 7.698702  178.8125       119.4915 315.9005       
233.1210 129.9603       139.1631 30.99584 12.20982 23.52575 9.380849 7.470093 
15.39740 
1 1 1 11  19  39 o 41.44332 7.809916  492.1110       124.6891 740.3605       
249.1203 409.1323       144.0284 45.24862 12.63510 37.63802 9.183321 7.610596 
15.61983 
1 1 1 11  20  0  o 79.46198 2.088640  1359.579       63.22083 1253.275       
114.9052 1405.731       75.71057 77.14262 3.547861 81.78134 2.205075 -4.638725 
4.177280 
1 1 1 11  20  1  o 31.59395 3.411158  195.9635       41.00142 246.1146       
80.06036 178.1335       47.73674 34.11140 5.590351 29.07649 3.910495 5.034906 
6.822316 
1 1 1 11  20  2  o 57.75308 2.568845  704.4520       54.65958 697.6898       
106.8250 706.8504       63.61833 57.52300 4.423363 57.98316 2.613373 
-0.4601631     5.137690 
1 1 1 11  20  3  o 81.08357 2.195722  1307.021       65.27348 1540.391       
133.8038 1234.140       74.77441 85.53569 3.725995 76.63146 2.324165 8.904228 
4.391444 
1 1 1 11  20  4  o 49.84682 2.827647  516.5545       52.78929 538.1504       
101.8004 508.6114       61.73875 50.51494 4.800102 49.17870 2.990211 1.336239 
5.655293 
1 1 1 11  20  5  o 98.25534 2.507245  2032.011       89.44685 2030.372       
179.1448 2032.555       103.2362 98.16940 4.346595 98.34128 2.500443 
-0.1718826     5.014489 
1 1 1 11  20  6  o 135.5012 2.901703  3867.570       129.1197 3864.057       
297.1062 3868.389       143.3663 135.3317 5.229175 135.6706 2.516994 
-0.3388977     5.803407 
1 1 1 11  20  7  o 70.47740 2.595708  1000.754       69.39829 1149.161       
133.9306 946.2811       81.14102 73.86443 4.318823 67.09038 2.880722 6.774055 
5.191415 
1 1 1 11  20  8  o 21.94591 5.177816  82.91895       51.31327 136.5093       
98.86028 63.15702       60.03344 25.59769 8.168421 18.29413 6.365219 7.303562 
10.35563 
1 1 1 11  20  9  o 65.95421 2.763651  932.9368       69.53107 873.6004       
126.6065 958.5621       83.20126 64.38521 4.683721 67.52322 2.934931 -3.138008 
5.527301 
1 1 1 11  20  10 o 26.90318 6.451018  143.1704       84.67278 133.5953       
142.5498 148.3905       105.2523 27.20277 9.773907 26.60358 8.422189 0.5991879 
12.90204 
1 1 1 11  20  11 o 81.03252 7.642942  1393.065       260.0153 0.000000       
0.000000 1393.065       260.0153 ?        ?        81.03252 7.642942 ? ? 
1 1 1 11  20  12 o 61.15038 4.573446  779.4725       106.8682 819.4644       
199.6628 763.4153       126.5166 62.13758 7.653566 60.16317 5.008847 1.974407 
9.146892 
1 1 1 11  20  13 o 46.79939 4.428285  462.3611       86.90156 482.2701       
126.7777 444.7157       119.3529 47.74418 6.324749 45.85459 6.199707 1.889595 
8.856569 
1 1 1 11  20  14 o 237.1589 5.339816  12018.82       512.5954 11663.08       
838.3239 12231.24       647.8044 233.9552 8.534934 240.3625 6.419457 -6.407257 
10.67963 
1 1 1 11  20  15 o 103.3317 3.175829  2202.373       128.2312 2384.564       
231.8672 2122.097       153.9100 106.2660 5.197160 100.3974 3.651451 5.868561 
6.351658 
1 1 1 11  20  16 o 77.10469 2.952516  1259.929       88.55540 1234.788       
157.6677 1271.515       107.0325 76.47948 4.910423 77.72990 3.279810 -1.250427 
5.905033 
1 1 1 11  20  17 o 104.7938 3.400285  2322.820       137.5328 2307.743       
249.1340 2329.429       164.9439 104.4293 5.682395 105.1583 3.736061 
-0.7289352     6.800571 
1 1 1 11  20  18 o 67.30899 3.203436  955.2696       81.80405 958.3696       
152.9951 954.0286       96.80357 67.30750 5.414209 67.31049 3.425545 
-0.2990723E-02 6.406873 
1 1 1 11  20  19 o 40.24485 4.644811  279.5476       69.08133 549.2515       
140.6808 193.8494       79.30071 50.85019 6.589664 29.63950 6.547778 21.21070 
9.289621 
1 1 1 11  20  20 o 163.6067 3.929493  5673.870       236.8531 5650.476       
463.1135 5682.157       275.6281 163.0473 6.765422 164.1660 3.999091 -1.118744 
7.858986 
1 1 1 11  20  21 o 163.2401 2.964323  5610.329       168.5259 5637.965       
358.7415 5602.502       190.9017 163.2828 5.233138 163.1973 2.786236 
0.8557129E-01  5.928646 
1 1 1 11  20  22 o 39.40295 5.471761  439.0836       77.34182 146.5198       
152.0168 541.2620       89.83817 28.15037 10.09534 50.65554 4.224302 -22.50517 
10.94352 
1 1 1 11  20  23 o 137.2716 2.723864  4036.703       142.5478 3816.711       
260.4394 4130.796       170.3257 134.4321 4.614502 140.1112 2.895533 -5.679108 
5.447728 
1 1 1 11  20  24 o 56.31338 4.234874  667.3373       85.31218 684.6016       
175.4911 661.9947       97.62412 56.62223 7.382256 56.00453 4.151978 0.6177025 
8.469748 
1 1 1 11  20  25 o 63.15169 4.083353  897.0779       93.08718 747.9709       
178.5350 952.7465       109.0888 59.12180 7.192780 67.18157 3.867684 -8.059769 
8.166705 
1 1 1 11  20  26 o 38.75582 5.984904  398.9807       86.07691 185.0022       
175.7566 466.4995       98.72762 30.63223 10.86801 46.87941 5.016232 -16.24718 
11.96981 
1 1 1 11  20  27 o 60.93379 4.290586  798.9002       90.20850 786.3376       
192.8597 802.4183       102.0614 60.29230 7.619047 61.57529 3.947990 -1.282993 
8.581171 
1 1 1 11  20  28 o 35.35960 6.287591  262.2968       81.54916 329.3104       
172.5816 243.0327       92.53100 37.75336 10.50815 32.96585 6.907524 4.787518 
12.57518 
1 1 1 11  20  29 o 72.90869 4.884414  1093.535       134.0125 1292.663       
262.7824 1023.544       155.7942 76.68941 8.161727 69.12798 5.368072 7.561424 
9.768827 
1 1 1 11  20  30 o 48.96323 5.625322  518.9745       98.21418 576.9131       
196.5352 499.6897       113.3874 49.77288 9.752957 48.15358 5.608638 1.619301 
11.25064 
1 1 1 11  20  31 o 38.59816 7.347176  348.0468       111.1781 375.9670       
220.0132 338.4724       128.8380 39.00971 12.14650 38.18660 8.269617 0.8231049 
14.69435 
1 1 1 11  20  32 o 91.91118 3.741799  1815.012       137.3689 1898.318       
235.3489 1771.967       169.1771 93.04004 6.025087 90.78232 4.438757 2.257721 
7.483598 
1 1 1 11  20  33 o 70.66653 5.107479  1142.512       138.3436 1086.898       
248.0235 1167.629       166.6819 68.31506 8.647637 73.01801 5.437252 -4.702950 
10.21496 
1 1 1 11  20  34 o 64.40222 5.135768  940.6194       125.1087 968.8076       
233.8145 929.3113       148.0921 63.89429 8.716266 64.91016 5.434260 -1.015869 
10.27154 
1 1 1 11  20  35 o 76.45074 4.903676  1293.406       142.0720 1471.170       
271.2541 1226.207       166.7774 78.56749 8.223457 74.33399 5.344053 4.233498 
9.807352 
1 1 1 11  20  36 o 67.16536 5.999228  1189.966       129.8584 919.8282       
259.9412 1279.805       149.9045 58.16083 11.04487 76.16990 4.687619 -18.00907 
11.99846 
1 1 1 11  20  37 o 66.43166 6.085729  1153.400       143.3020 972.8961       
259.1022 1232.947       172.0035 59.20713 10.82617 73.65620 5.562232 -14.44907 
12.17146 
1 1 1 11  20  38 f 42.82546 7.170588  566.0541       123.4952 435.6097       
237.0061 614.6702       144.6896 35.22369 12.60801 50.42724 6.834288 -15.20355 
14.34118 
1 1 1 11  20  39 o 22.95976 6.732222  128.8650       118.6920 -107.7995      
234.6814 210.2087       137.5860 19.56807 9.452219 26.35146 9.588890 -6.783386 
13.46444 
1 1 1 11  21  0  o 85.80336 2.049760  1575.889       69.66295 1465.680       
118.1481 1634.623       86.25089 83.42877 3.373122 88.17796 2.329832 -4.749184 
4.099520 
1 1 1 11  21  1  o 94.92795 2.042799  1892.318       77.60960 1907.873       
131.6209 1884.028       96.09163 95.19421 3.293331 94.66168 2.417867 0.5325317 
4.085598 
1 1 1 11  21  2  o 142.5418 2.410599  4296.275       137.4942 4217.770       
231.6830 4338.957       170.8290 141.4651 3.900909 143.6184 2.833170 -2.153290 
4.821198 
1 1 1 11  21  3  o 218.0215 3.224824  10075.12       290.6176 9763.328       
448.5819 10300.63       381.5077 214.9953 4.969742 221.0477 4.110915 -6.052368 
6.449648 
1 1 1 11  21  4  o 77.05332 2.532656  1300.064       75.92126 1109.752       
129.9101 1398.778       93.56181 72.55004 4.265070 81.55660 2.732502 -9.006561 
5.065313 
1 1 1 11  21  5  o 136.6142 2.608253  3953.171       146.0172 3820.812       
231.2870 4040.885       188.2832 134.6524 4.091271 138.5761 3.236267 -3.923676 
5.216505 
1 1 1 11  21  6  o 36.09848 4.040229  273.9749       54.40686 294.7686       
101.1998 265.5216       64.52516 36.70595 6.822104 35.49100 4.330439 1.214951 
8.080459 
1 1 1 11  21  7  o 181.3611 3.624230  6989.902       261.4525 6798.121       
444.8746 7091.090       323.1480 179.2784 5.910588 183.4438 4.195846 -4.165390 
7.248460 
1 1 1 11  21  8  f 224.0079 3.546585  10663.63       326.6501 10208.71       
510.9386 10978.10       424.8025 219.8084 5.536629 228.2073 4.433825 -8.398849 
7.093170 
1 1 1 11  21  9  o 127.2530 2.921201  3392.836       152.2130 3495.319       
245.5465 3328.877       193.9798 128.7571 4.542381 125.7488 3.674293 3.008316 
5.842402 
1 1 1 11  21  10 o 61.57841 4.511864  773.0205       110.7372 897.2561       
195.0538 713.9330       134.5176 65.02615 7.144755 58.13066 5.511818 6.895493 
9.023728 
1 1 1 11  21  11 o 122.1541 4.493811  3151.881       210.5107 3178.715       
386.9450 3140.600       250.8875 122.3081 7.535553 122.0000 4.898243 0.3080978 
8.987621 
1 1 1 11  21  12 o 99.42549 4.168454  2063.210       155.1816 2152.979       
299.3010 2030.206       181.4799 100.7176 7.078218 98.13339 4.404868 2.584206 
8.336907 
1 1 1 11  21  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  21  14 o 52.75455 4.722052  534.3264       98.78359 778.5223       
179.6242 428.4505       118.2753 60.54062 7.067065 44.96848 6.264798 15.57214 
9.444104 
1 1 1 11  21  15 f 64.42289 3.170519  907.7021       76.13800 804.3530       
141.7305 949.6261       90.26940 61.67200 5.473892 67.17377 3.200825 -5.501770 
6.341039 
1 1 1 11  21  16 o 59.09412 3.190142  687.0301       70.86643 850.5781       
140.8746 631.6221       81.99670 63.42507 5.290452 54.76317 3.566391 8.661903 
6.380283 
1 1 1 11  21  17 o 114.1013 3.065948  2696.827       127.1724 2847.260       
257.5663 2648.332       146.2413 116.0270 5.287508 112.1755 3.105225 3.851486 
6.131896 
1 1 1 11  21  18 o 216.7876 3.834622  9742.439       300.8119 10348.98       
614.0123 9550.886       345.0580 220.7079 6.626439 212.8673 3.861039 7.840637 
7.669245 
1 1 1 11  21  19 o 131.0769 2.671970  3677.076       131.4444 3493.699       
246.7963 3749.693       155.3046 128.6423 4.569575 133.5115 2.770682 -4.869202 
5.343940 
1 1 1 11  21  20 o 145.5409 3.412201  4418.213       169.1331 4571.298       
373.8029 4378.804       189.6575 146.8436 6.063294 144.2382 3.131921 2.605469 
6.824402 
1 1 1 11  21  21 o 159.8658 3.938125  5304.750       219.0952 5600.497       
472.2104 5223.617       247.3286 162.2836 6.930778 157.4480 3.741606 4.835571 
7.876249 
1 1 1 11  21  22 o 33.92283 6.093304  229.2579       76.48639 312.9615       
160.2108 204.5482       87.04691 37.43058 10.00105 30.41509 6.963649 7.015488 
12.18661 
1 1 1 11  21  23 o 123.4814 2.709978  3292.960       123.2861 3051.151       
236.7039 3382.979       144.4221 120.1575 4.692189 126.8052 2.712799 -6.647720 
5.419955 
1 1 1 11  21  24 o 110.7015 3.364944  2530.926       130.5970 2707.184       
279.4756 2481.685       147.7171 112.8736 5.897562 108.5293 3.241937 4.344299 
6.729888 
1 1 1 11  21  25 o 127.3398 3.821918  3228.661       148.2966 3770.802       
388.4334 3136.156       160.4503 132.6982 6.972246 121.9814 3.133054 10.71677 
7.643836 
1 1 1 11  21  26 o 135.5567 2.932008  3784.445       140.1760 4086.107       
298.1019 3698.807       158.8317 138.6350 5.121685 132.4785 2.855702 6.156525 
5.864016 
1 1 1 11  21  27 o 72.40457 3.646353  1060.341       93.28615 1224.124       
200.6919 1015.200       105.3600 75.52071 6.329725 69.28842 3.621898 6.232292 
7.292706 
1 1 1 11  21  28 o 29.26480 6.237521  203.2262       80.41309 101.4483       
167.6251 233.6499       91.64703 26.26195 10.35084 32.26766 6.963253 -6.005709 
12.47504 
1 1 1 11  21  29 o 37.08864 7.165115  352.9089       116.1053 169.8253       
224.6503 419.6359       135.6228 31.02702 12.04109 43.15026 7.769663 -12.12324 
14.33023 
1 1 1 11  21  30 o 27.15289 7.423420  118.2360       108.3664 173.3718       
213.4003 99.07793       125.7924 30.46376 11.75361 23.84202 9.070905 6.621738 
14.84684 
1 1 1 11  21  31 o 77.37607 4.800731  1356.869       138.9834 1230.475       
256.6063 1409.340       165.3339 73.85316 8.275977 80.89897 4.867880 -7.045807 
9.601461 
1 1 1 11  21  32 o 35.03508 6.298474  321.0262       95.24458 168.3153       
178.3422 381.9612       112.6555 28.52152 10.81544 41.54864 6.458279 -13.02712 
12.59695 
1 1 1 11  21  33 o 51.83651 6.396230  680.7371       117.6056 551.2662       
220.1413 732.4456       139.1221 46.04478 11.42727 57.62824 5.750186 -11.58347 
12.79246 
1 1 1 11  21  34 o 64.17957 5.867618  1021.048       134.5160 855.3536       
243.9224 1093.462       161.2526 58.03338 10.38690 70.32576 5.461517 -12.29238 
11.73524 
1 1 1 11  21  35 o 32.01285 7.711512  235.4496       112.1887 387.2435       
221.2638 182.9215       130.1606 36.74554 12.23974 27.28016 9.383949 9.465385 
15.42302 
1 1 1 11  21  36 o 34.07464 7.284405  340.6858       118.2793 200.6483       
224.4143 394.5495       139.1800 28.70223 11.72988 39.44705 8.640608 -10.74482 
14.56881 
1 1 1 11  21  37 o 51.46547 5.520137  585.6948       111.4435 849.8940       
207.9866 479.2942       131.9902 58.08270 8.529227 44.84825 7.009989 13.23444 
11.04027 
1 1 1 11  21  38 o 32.65911 6.531679  354.1538       120.9880 -9.458178      
233.5633 487.5059       141.4444 21.98094 10.26873 43.33729 8.074932 -21.35635 
13.06336 
1 1 1 11  21  39 o 29.20448 7.310694  95.86163       119.3509 678.1273       
240.3993 -94.60226      137.4925 42.77484 12.56662 15.63412 7.474293 27.14072 
14.62139 
1 1 1 11  22  0  o 218.1691 3.922490  9523.758       233.8137 10822.22       
693.4052 9357.182       248.3590 225.4324 7.326419 210.9057 2.804869 14.52673 
7.844980 
1 1 1 11  22  1  o 70.49086 2.408939  1031.820       61.89268 1075.733       
124.5239 1017.413       71.32704 71.41944 4.152957 69.56228 2.442314 1.857162 
4.817878 
1 1 1 11  22  2  o 60.94775 2.525179  824.8510       59.11156 670.2610       
101.9166 903.2174       72.56364 56.36295 4.306973 65.53255 2.637443 -9.169601 
5.050358 
1 1 1 11  22  3  o 13.72683 4.175697  -4.461455      43.27502 -53.06349      
77.22671 17.78570       52.24895 13.37153 6.109072 14.08212 5.694296 
-0.7105951     8.351394 
1 1 1 11  22  4  o 95.88598 2.263663  1916.290       87.00652 1998.982       
148.2361 1872.830       107.4650 97.41105 3.624656 94.36091 2.712665 3.050140 
4.527326 
1 1 1 11  22  5  o 107.7959 2.343338  2468.883       98.83025 2383.470       
173.4297 2509.958       120.2690 106.3439 3.884471 109.2478 2.622176 -2.903954 
4.686675 
1 1 1 11  22  6  o 81.65584 2.433965  1378.203       79.93424 1492.347       
136.2728 1318.329       98.69706 84.15417 3.857045 79.15750 2.969841 4.996674 
4.867931 
1 1 1 11  22  7  o 61.47786 2.820343  783.8721       67.96004 831.9249       
121.6404 762.0662       81.94151 62.78387 4.614779 60.17184 3.243633 2.612030 
5.640687 
1 1 1 11  22  8  o 57.09483 3.010176  690.3075       69.56389 676.2579       
114.1450 698.6089       87.74052 56.59549 4.803925 57.59418 3.628630 
-0.9986877     6.020353 
1 1 1 11  22  9  o 61.88241 3.851086  814.0298       86.28703 801.3015       
172.7181 818.2631       99.60801 61.44270 6.695585 62.32212 3.806914 
-0.8794174     7.702172 
1 1 1 11  22  10 o 123.8576 5.793937  3247.109       301.2835 0.000000       
0.000000 3247.109       301.2835 ?        ?        123.8576 5.793937 ? ? 
1 1 1 11  22  11 f 153.4734 5.106055  5100.328       314.2088 4680.329       
516.5908 5346.942       395.8503 148.0461 8.311335 158.9007 5.933708 -10.85464 
10.21211 
1 1 1 11  22  12 o 75.92564 4.170333  1227.094       120.3852 1205.629       
223.0451 1235.917       143.0033 75.31203 7.054227 76.53927 4.450234 -1.227242 
8.340666 
1 1 1 11  22  13 o 42.25515 5.764365  300.4945       90.05885 620.7630       
189.8519 207.5020       102.3014 53.89195 8.390967 30.61835 7.905902 23.27361 
11.52873 
1 1 1 11  22  14 f 181.9045 6.444782  7069.231       437.8141 7163.362       
839.9272 7034.114       513.0219 181.8377 11.00218 181.9714 6.715120 
-0.1337128     12.88956 
1 1 1 11  22  15 o 45.24860 9.360840  455.4788       171.8026 455.4788       
171.8026 0.000000       0.000000 45.24860 9.360840 ?        ?        ? ? 
1 1 1 11  22  16 o 110.5970 4.107344  2556.764       173.4231 2675.197       
324.0966 2509.248       205.2852 112.1625 6.882524 109.0314 4.484635 3.131096 
8.214687 
1 1 1 11  22  17 o 127.9389 2.724173  3342.487       125.2788 3659.862       
260.2593 3246.769       142.9271 131.6400 4.709116 124.2377 2.740200 7.402321 
5.448345 
1 1 1 11  22  18 o 53.70054 3.834437  527.0856       73.59747 778.1215       
163.2451 463.0440       82.45248 60.54612 6.422068 46.85495 4.191498 13.69117 
7.668873 
1 1 1 11  22  19 o 69.37634 3.434499  997.7690       83.80332 1051.880       
177.9711 982.3525       94.99395 70.44518 6.017544 68.30751 3.312444 2.137665 
6.868998 
1 1 1 11  22  20 o 62.54669 3.698967  754.4775       83.04966 972.1428       
178.8037 694.6019       93.77924 67.68827 6.291933 57.40511 3.891144 10.28316 
7.397933 
1 1 1 11  22  21 o 123.6372 2.872161  3196.453       128.5682 3277.913       
260.1553 3170.128       147.8902 124.5274 4.976099 122.7470 2.869787 1.780403 
5.744322 
1 1 1 11  22  22 o 23.65961 6.231275  81.80214       72.96667 132.3643       
149.6190 66.02413       83.57954 27.30206 9.993072 20.01716 7.446721 7.284899 
12.46255 
1 1 1 11  22  23 o 33.50604 6.176943  237.4855       77.41859 269.1490       
162.3665 228.1685       88.07531 34.88290 10.35048 32.12919 6.744343 2.753704 
12.35389 
1 1 1 11  22  24 o 191.0104 4.398892  7395.271       245.1147 8323.258       
670.2554 7252.002       263.3570 196.5726 8.121541 185.4483 3.382542 11.12431 
8.797785 
1 1 1 11  22  25 o 97.91020 3.492880  1931.002       119.5141 2227.045       
261.2548 1852.652       134.4018 102.1281 6.093125 93.69229 3.416822 8.435814 
6.985761 
1 1 1 11  22  26 o 43.92007 5.069246  323.6553       81.22279 712.0652       
168.7616 206.5618       92.66054 57.49725 6.991132 30.34289 7.342553 27.15436 
10.13849 
1 1 1 11  22  27 o 106.3335 3.251252  2400.368       126.3707 2410.915       
250.4088 2396.764       146.3776 106.1587 5.618432 106.5084 3.273496 
-0.3497314     6.502504 
1 1 1 11  22  28 o 84.24028 3.103678  1510.791       92.34559 1507.376       
192.0331 1511.818       105.3230 83.87498 5.453368 84.60559 2.965141 
-0.7306137     6.207357 
1 1 1 11  22  29 o 79.64270 4.525211  1333.846       132.9234 1467.293       
264.7721 1288.879       153.6953 81.63197 7.725615 77.65343 4.714341 3.978539 
9.050422 
1 1 1 11  22  30 o 62.75008 5.393075  908.8588       126.8265 785.9482       
229.8977 962.6288       152.0581 58.73814 9.322565 66.76202 5.425017 -8.023888 
10.78615 
1 1 1 11  22  31 o 34.98315 6.541598  325.6920       111.5229 58.00827       
208.0060 433.6833       132.1172 25.80631 10.97219 44.16000 7.126092 -18.35369 
13.08320 
1 1 1 11  22  32 o 38.71588 6.394506  438.3943       105.1931 126.7924       
211.7483 540.4933       121.2078 27.83309 11.38759 49.59867 5.820786 -21.76558 
12.78901 
1 1 1 11  22  33 o 58.99210 5.403216  758.6912       112.8861 878.8889       
239.2172 724.2565       128.0391 60.53407 9.412688 57.45014 5.308510 3.083927 
10.80643 
1 1 1 11  22  34 o 54.47229 6.067947  701.1906       119.8110 740.0829       
228.2680 686.4022       140.7583 53.62270 10.51437 55.32189 6.060354 -1.699196 
12.13589 
1 1 1 11  22  35 o 27.27606 5.840075  174.3511       101.8146 -202.0694      
185.2773 337.1980       121.8640 17.52582 8.449948 37.02629 8.063764 -19.50047 
11.68015 
1 1 1 11  22  36 f 36.58822 7.511822  384.2542       118.3260 333.4333       
232.1001 402.1010       137.5421 33.31425 12.40627 39.86219 8.473155 -6.547939 
15.02364 
1 1 1 11  22  37 o 27.03973 7.511921  187.1893       116.0585 187.3618       
234.3482 187.1333       133.5915 27.47126 11.66210 26.60819 9.471599 0.8630695 
15.02384 
1 1 1 11  22  38 o 23.06548 6.819363  91.07587       101.6500 232.2962       
188.9524 33.56007       120.5861 27.51452 10.94359 18.61644 8.139572 8.898085 
13.63873 
1 1 1 11  22  39 o 42.35357 8.315415  640.8373       154.7187 597.5559       
248.7478 668.1470       197.5910 38.29774 12.97766 46.40940 10.40023 -8.111660 
16.63083 
1 1 1 11  23  0  o 34.18053 3.085158  279.8077       35.73247 193.2526       
67.28882 313.8019       42.16956 29.73438 5.595619 38.62668 2.600356 -8.892296 
6.170316 
1 1 1 11  23  1  o 111.0058 1.992630  2600.008       78.08204 2577.993       
162.6249 2606.603       89.01340 110.6340 3.501222 111.3775 1.903614 
-0.7435608     3.985261 
1 1 1 11  23  2  o 124.5672 2.186220  3285.384       102.8917 3220.320       
192.7059 3311.330       121.6893 123.6284 3.712769 125.5059 2.309454 -1.877533 
4.372440 
1 1 1 11  23  3  o 97.61319 2.560030  1978.166       91.55424 2066.973       
182.8513 1948.452       105.7674 98.97213 4.400543 96.25425 2.617296 2.717880 
5.120060 
1 1 1 11  23  4  o 40.28208 4.245687  362.7024       58.31002 324.5638       
118.1174 374.9917       67.04966 38.38050 7.600666 42.18366 3.785937 -3.803158 
8.491375 
1 1 1 11  23  5  o 44.67923 3.588285  388.5461       60.38032 499.3253       
120.4246 351.3441       69.78622 48.53994 5.909315 40.81853 4.072240 7.721413 
7.176569 
1 1 1 11  23  6  o 126.0116 3.179410  3237.304       138.7232 3556.958       
304.1206 3153.320       155.8853 129.6151 5.588708 122.4081 3.033306 7.206970 
6.358820 
1 1 1 11  23  7  o 83.66154 2.788918  1491.336       89.13433 1437.105       
163.1105 1514.425       106.4314 82.48967 4.709811 84.83343 2.988298 -2.343758 
5.577835 
1 1 1 11  23  8  o 124.3787 2.953736  3357.672       141.4050 3018.798       
250.5390 3516.082       171.2963 119.5127 4.993237 129.2447 3.156866 -9.732002 
5.907472 
1 1 1 11  23  9  o 92.11742 3.794667  1838.492       141.0155 1622.744       
225.9749 1976.090       180.4653 87.47137 6.153404 96.76347 4.442254 -9.292107 
7.589334 
1 1 1 11  23  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  23  11 o 76.34641 3.969424  1239.342       117.7934 1220.015       
210.1339 1248.198       142.2435 75.78534 6.604379 76.90748 4.405395 -1.122139 
7.938849 
1 1 1 11  23  12 o 295.2442 8.764200  19152.18       1066.678 18585.66       
1657.603 19552.59       1393.546 290.2827 13.60130 300.2057 11.05665 -9.922974 
17.52840 
1 1 1 11  23  13 o 160.7942 4.773853  5540.531       308.0429 5336.764       
512.6765 5655.659       385.3618 158.1549 7.721148 163.4336 5.616276 -5.278671 
9.547706 
1 1 1 11  23  14 o 47.37500 5.398134  464.5010       93.56779 536.2682       
182.3912 438.8676       109.0045 49.22958 9.166616 45.52042 5.703732 3.709160 
10.79627 
1 1 1 11  23  15 o 59.34472 4.719559  755.3610       107.3823 730.5894       
195.2449 766.1035       128.5750 58.49080 7.950843 60.19864 5.087341 -1.707836 
9.439118 
1 1 1 11  23  16 o 52.99410 5.463314  594.2922       121.5521 0.000000       
0.000000 594.2922       121.5521 ?        ?        52.99410 5.463314 ? ? 
1 1 1 11  23  17 o 166.9267 9.488838  5991.110       664.9940 5991.110       
664.9940 0.000000       0.000000 166.9267 9.488838 ?        ?        ? ? 
1 1 1 11  23  18 o 110.7549 3.258434  2588.449       151.4018 2622.627       
218.9363 2557.125       209.5977 111.4454 4.679256 110.0644 4.535871 1.380959 
6.516867 
1 1 1 11  23  19 o 56.87659 3.805815  714.4950       79.17358 622.0673       
150.9364 749.5806       92.99440 54.10970 6.644159 59.64349 3.713768 -5.533783 
7.611631 
1 1 1 11  23  20 o 33.65368 5.553490  273.4615       71.50252 173.6671       
142.7920 306.8589       82.60513 29.21865 9.832609 38.08870 5.165733 -8.870050 
11.10698 
1 1 1 11  23  21 o 47.39547 4.426550  443.3549       77.68799 550.6654       
158.2507 409.2813       89.17291 50.79175 7.421187 43.99920 4.827355 6.792553 
8.853100 
1 1 1 11  23  22 o 94.33821 3.343479  1880.409       114.4333 1886.517       
229.4688 1878.387       132.0210 94.26006 5.798517 94.41637 3.330555 
-0.1563034     6.686957 
1 1 1 11  23  23 o 119.0364 3.500668  2976.929       144.2101 3049.244       
310.8367 2957.095       162.7900 119.6320 6.188793 118.4408 3.273767 1.191254 
7.001336 
1 1 1 11  23  24 o 24.45403 6.072585  120.6133       76.54488 18.66671       
154.2813 153.9019       88.16063 22.50243 9.502948 26.40562 7.563011 -3.903191 
12.14517 
1 1 1 11  23  25 o 18.45748 5.720167  -7.531182      74.83771 -38.14956      
152.3108 2.213380       85.92525 20.39345 9.018439 16.52150 7.039103 3.871948 
11.44033 
1 1 1 11  23  26 f 28.69201 5.835237  204.5782       78.48772 30.26262       
158.8739 260.8574       90.27309 23.08037 9.690109 34.30365 6.503977 -11.22327 
11.67047 
1 1 1 11  23  27 o 121.9281 3.638803  2982.920       146.5566 3497.603       
346.5898 2870.855       161.7269 127.3300 6.483448 116.5263 3.305822 10.80377 
7.277606 
1 1 1 11  23  28 o 91.72923 3.582897  1870.700       115.6422 1669.238       
234.3260 1935.565       132.9618 87.83308 6.354531 95.62538 3.311881 -7.792305 
7.165795 
1 1 1 11  23  29 o 35.44736 6.459263  337.5568       103.1914 76.63481       
209.7688 420.8564       118.5243 26.92826 11.20974 43.96645 6.421062 -17.03819 
12.91853 
1 1 1 11  23  30 o 48.75267 6.633819  602.5195       117.3953 444.3840       
218.0524 667.0644       139.3083 42.18725 11.83428 55.31810 5.998335 -13.13085 
13.26764 
1 1 1 11  23  31 o 25.95205 6.674572  92.31352       91.85966 264.0199       
169.0164 20.33084       109.4333 33.02877 10.69473 18.87533 7.988893 14.15345 
13.34914 
1 1 1 11  23  32 o 75.41268 4.740120  1316.650       136.4711 1150.394       
240.3939 1395.710       165.7737 70.70135 8.098727 80.12402 4.928038 -9.422668 
9.480240 
1 1 1 11  23  33 o 41.45969 7.182994  371.0167       113.7672 632.8896       
224.1708 280.1709       132.0341 49.31425 11.09615 33.60514 9.124537 15.70910 
14.36599 
1 1 1 11  23  34 o 64.13696 5.323674  925.4877       125.8450 1032.964       
249.0874 888.6518       145.8248 65.05104 9.120497 63.22288 5.493866 1.828159 
10.64735 
1 1 1 11  23  35 o 34.07033 7.830103  263.6326       116.5419 496.5023       
232.2141 185.2307       134.7396 40.91553 12.42671 27.22512 9.529892 13.69040 
15.66021 
1 1 1 11  23  36 o 45.21229 7.059353  540.6321       120.2616 559.9725       
230.9778 533.4390       140.8607 42.96425 12.22137 47.46033 7.069361 -4.496082 
14.11871 
1 1 1 11  23  37 f 30.64174 6.600877  289.9502       121.4060 -94.29227      
239.4744 422.8695       140.8479 21.11382 10.01550 40.16965 8.600929 -19.05583 
13.20175 
1 1 1 11  23  38 o 56.55359 6.531294  820.8934       131.1828 1034.214       
264.2689 751.1409       151.1158 57.54050 11.34334 55.56667 6.477636 1.973827 
13.06259 
1 1 1 11  23  39 o 16.14400 5.655462  -253.9247      140.0000 -353.5582      
235.9191 -199.7667      173.9368 16.58291 8.275515 15.70509 7.710569 0.8778162 
11.31092 
1 1 1 11  24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  24  1  o 82.17809 2.093890  1416.038       64.56561 1433.536       
123.2858 1409.425       75.79024 82.47729 3.560408 81.87888 2.204766 0.5984116 
4.187779 
1 1 1 11  24  2  o 71.77370 2.644484  1086.735       79.59081 1109.740       
110.6195 1062.042       114.6030 72.57029 3.630728 70.97711 3.845906 1.593178 
5.288969 
1 1 1 11  24  3  o 105.4611 2.306230  2215.544       85.59640 2576.428       
185.8602 2118.396       96.43165 110.5388 4.004909 100.3834 2.288119 10.15540 
4.612460 
1 1 1 11  24  4  f 73.81541 2.203735  1100.626       62.96589 1265.751       
117.3372 1033.845       74.61989 77.51397 3.605593 70.11684 2.534856 7.397125 
4.407470 
1 1 1 11  24  5  o 139.7119 2.397074  4112.797       128.7536 4103.710       
235.1910 4116.686       153.8564 139.5144 4.015342 139.9094 2.619327 
-0.3949432     4.794147 
1 1 1 11  24  6  o 128.4735 2.656290  3448.388       127.5301 3543.007       
245.9565 3413.596       149.1451 129.5593 4.521793 127.3876 2.788708 2.171745 
5.312580 
1 1 1 11  24  7  o 211.6958 4.338512  9454.123       320.9281 9591.322       
680.8434 9414.930       363.8903 212.0904 7.646228 211.3012 4.101943 0.7892303 
8.677024 
1 1 1 11  24  8  o 104.5921 3.089248  2157.840       118.8185 2624.915       
243.8959 2012.492       136.0556 111.4155 5.214106 97.76866 3.314652 13.64686 
6.178496 
1 1 1 11  24  9  o 52.67096 4.353220  585.0290       90.90492 598.3894       
157.6459 578.3734       111.2669 53.03274 7.080431 52.30918 5.066515 0.7235641 
8.706439 
1 1 1 11  24  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  24  11 o 112.9322 3.758486  2728.376       174.5375 2529.999       
270.1859 2870.446       228.6481 109.2716 5.889475 116.5928 4.671074 -7.321297 
7.516971 
1 1 1 11  24  12 o 49.18460 5.893889  562.9505       106.2724 438.8149       
188.8066 620.5164       128.5735 44.23365 10.34164 54.13556 5.657050 -9.901901 
11.78778 
1 1 1 11  24  13 o 60.27513 5.015980  780.9295       112.0293 755.7589       
215.3126 790.2733       131.1854 59.40820 8.632650 61.14206 5.110535 -1.733864 
10.03196 
1 1 1 11  24  14 o 66.25897 4.622955  948.0704       111.4220 899.8709       
219.2185 964.8593       129.3803 64.91031 8.044231 67.60764 4.558200 -2.697327 
9.245910 
1 1 1 11  24  15 o 107.5898 4.014471  2314.231       156.8389 2728.404       
325.9818 2189.479       178.9070 113.2914 6.853579 101.8883 4.182386 11.40314 
8.028941 
1 1 1 11  24  16 f 44.72066 6.000587  462.0155       98.67889 376.5969       
181.9107 497.6311       117.4633 40.97102 10.52183 48.47030 5.772281 -7.499283 
12.00117 
1 1 1 11  24  17 o 66.35681 4.613807  901.8632       115.8880 1012.716       
223.1803 860.9401       135.6022 68.89626 7.715807 63.81736 5.061145 5.078892 
9.227614 
1 1 1 11  24  18 o 132.7310 6.884756  3747.701       383.6541 0.000000       
0.000000 3747.701       383.6541 ?        ?        132.7310 6.884756 ? ? 
1 1 1 11  24  19 o 70.92863 4.931286  1106.635       131.3329 989.3334       
241.7891 1155.727       156.4190 67.93406 8.477547 73.92321 5.039992 -5.989151 
9.862572 
1 1 1 11  24  20 o 162.8155 4.583936  5638.768       313.1783 5405.593       
440.7690 5876.510       445.0643 159.3814 6.587104 166.2496 6.376513 -6.868240 
9.167871 
1 1 1 11  24  21 o 141.6392 2.842261  4141.328       141.7831 4409.520       
301.2763 4065.034       160.6894 144.3064 4.972794 138.9721 2.754107 5.334335 
5.684522 
1 1 1 11  24  22 o 82.70474 3.268825  1422.728       97.16210 1497.457       
199.8735 1399.604       111.1830 83.92601 5.672568 81.48347 3.250051 2.442543 
6.537649 
1 1 1 11  24  23 o 38.57251 5.624079  349.3249       78.25507 280.0253       
154.7482 373.1355       90.70806 35.23466 9.997248 41.91036 5.155200 -6.675694 
11.24816 
1 1 1 11  24  24 o 29.87857 5.447700  76.39668       75.10709 452.4467       
156.9064 -35.37838      85.54413 44.90226 8.631228 14.85489 6.649182 30.04736 
10.89540 
1 1 1 11  24  25 o 58.77989 3.954421  695.7981       86.76594 832.6957       
173.1131 649.8704       100.2697 62.21132 6.627985 55.34846 4.315043 6.862858 
7.908842 
1 1 1 11  24  26 o 33.43347 5.866660  279.3809       78.06438 153.1323       
160.6965 318.3769       89.31065 28.29470 10.35640 38.57224 5.515050 -10.27753 
11.73332 
1 1 1 11  24  27 o 68.79289 3.693175  1055.540       88.96448 934.3049       
181.0726 1094.118       102.1430 65.69019 6.565582 71.89559 3.383978 -6.205406 
7.386351 
1 1 1 11  24  28 o 63.86291 4.799717  782.6733       117.6450 1176.166       
230.9231 644.7459       136.7175 73.12165 7.522157 54.60417 5.963749 18.51748 
9.599435 
1 1 1 11  24  29 f 52.39930 5.731977  599.1788       112.5025 678.2349       
209.5182 567.1505       133.3585 53.79381 9.624832 51.00478 6.227747 2.789024 
11.46395 
1 1 1 11  24  30 f 61.95808 4.879726  816.2629       111.1493 925.1494       
223.3429 780.4174       128.1451 63.84367 8.332501 60.07249 5.080978 3.771175 
9.759453 
1 1 1 11  24  31 o 66.17793 5.018303  936.0505       125.5856 1093.716       
242.8172 878.4734       146.7357 68.96140 8.386765 63.39445 5.513223 5.566944 
10.03661 
1 1 1 11  24  32 o 55.73181 6.509353  832.9184       126.3298 542.3700       
226.8211 963.5779       152.1054 45.25492 11.81284 66.20870 5.472059 -20.95378 
13.01871 
1 1 1 11  24  33 o 55.41283 6.227143  744.9940       126.1799 723.8954       
231.6681 753.8928       150.4545 52.86618 10.81107 57.95948 6.183035 -5.093296 
12.45429 
1 1 1 11  24  34 o 35.75288 7.441425  353.7063       116.2008 285.0072       
226.7390 378.1767       135.3226 32.43486 12.22556 39.07090 8.487344 -6.636032 
14.88285 
1 1 1 11  24  35 o 76.30840 5.252839  1460.940       149.1108 1144.498       
260.2568 1615.574       181.9313 67.44254 9.191559 85.17426 5.087684 -17.73172 
10.50568 
1 1 1 11  24  36 o 15.70301 5.340647  -115.4113      92.97218 -256.2976      
190.7691 -71.52520      106.4725 16.66559 8.152563 14.74043 6.901141 1.925159 
10.68129 
1 1 1 11  24  37 o 41.19211 7.606014  485.9550       122.0311 554.9250       
241.4558 462.2949       141.4219 40.21589 12.75892 42.16833 8.283458 -1.952446 
15.21203 
1 1 1 11  24  38 o 30.99875 7.983681  286.8908       119.9435 485.4434       
243.0466 222.9665       137.9064 34.86613 12.73897 27.13138 9.626808 7.734751 
15.96736 
1 1 1 11  25  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  25  1  f 69.78027 2.111439  967.1810       56.59858 1171.471       
107.9716 889.7753       66.46178 74.53052 3.450615 65.03001 2.434329 9.500504 
4.222878 
1 1 1 11  25  2  o 45.23277 2.656182  400.1812       47.67422 530.7476       
86.30399 342.8432       57.19215 50.13374 4.100359 40.33179 3.377614 9.801945 
5.312365 
1 1 1 11  25  3  o 104.1431 2.252324  2307.213       94.79070 2196.723       
154.9304 2373.318       119.8379 102.0810 3.615037 106.2051 2.687631 -4.124123 
4.504648 
1 1 1 11  25  4  o 137.2044 2.379221  3961.511       127.1702 3975.585       
227.1942 3955.089       153.4637 137.2940 3.941548 137.1148 2.665891 0.1791687 
4.758442 
1 1 1 11  25  5  o 93.64014 2.350872  1844.501       83.15925 1851.394       
156.7104 1841.800       98.11288 93.69617 3.983795 93.58409 2.497153 0.1120834 
4.701744 
1 1 1 11  25  6  o 121.2750 2.462172  3030.435       114.7803 3265.745       
213.5947 2934.895       136.1013 124.4341 4.088577 118.1159 2.744576 6.318222 
4.924344 
1 1 1 11  25  7  f 45.47937 3.589061  478.3390       58.21835 356.6860       
109.9514 525.7332       68.62819 40.98848 6.389402 49.97026 3.271237 -8.981781 
7.178123 
1 1 1 11  25  8  f 112.2914 2.705452  2676.319       105.0600 2624.454       
224.4794 2690.865       118.8839 111.4608 4.797064 113.1219 2.503209 -1.661163 
5.410904 
1 1 1 11  25  9  o 132.0052 3.777507  3635.228       199.0476 3850.967       
343.2477 3525.923       244.3227 134.7668 6.066608 129.2438 4.502723 5.522995 
7.555015 
1 1 1 11  25  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  25  11 o 36.32458 6.199278  296.3020       90.35499 276.8228       
154.1142 306.5045       111.5350 35.33831 9.960756 37.31086 7.382921 -1.972549 
12.39856 
1 1 1 11  25  12 o 67.82842 3.980579  902.9884       105.9702 1178.770       
196.1711 789.3537       125.9239 74.53647 6.268840 61.12038 4.907307 13.41609 
7.961157 
1 1 1 11  25  13 o 52.37460 4.999055  553.9734       101.9136 663.7538       
189.2533 509.1367       120.9480 55.73278 8.088235 49.01642 5.877302 6.716354 
9.998111 
1 1 1 11  25  14 o 34.68354 5.759252  307.7395       99.41939 -38.77813      
175.6858 470.9828       120.5846 22.24192 9.773908 47.12516 6.094807 -24.88324 
11.51850 
1 1 1 11  25  15 o 151.8027 4.424259  4900.416       269.6516 4856.459       
451.7972 4924.738       336.0736 151.0273 7.125398 152.5780 5.246426 -1.550705 
8.848518 
1 1 1 11  25  16 o 24.44845 6.926355  71.43684       99.63683 41.61192       
192.4192 82.36350       116.4669 25.85707 10.74825 23.03983 8.739153 2.817242 
13.85271 
1 1 1 11  25  17 o 183.6573 5.059127  7253.044       376.0893 6935.132       
612.3412 7445.605       476.5667 180.0062 8.102652 187.3084 6.060207 -7.302231 
10.11825 
1 1 1 11  25  18 o 75.77731 4.482993  1078.167       124.7508 1529.447       
263.4484 947.7278       141.6372 84.62946 7.414725 66.92517 5.040909 17.70429 
8.965986 
1 1 1 11  25  19 o 98.32095 4.208012  2088.880       163.6915 1944.479       
277.9505 2165.557       202.5412 95.46476 6.934984 101.1772 4.768172 -5.712395 
8.416024 
1 1 1 11  25  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  25  21 o 79.86099 4.425380  1278.272       137.5256 1583.108       
256.9347 1155.869       162.8119 85.94035 7.121095 73.78163 5.256042 12.15871 
8.850760 
1 1 1 11  25  22 o 98.36694 3.170411  2016.340       108.4910 2111.204       
233.4349 1990.203       122.5281 99.56749 5.584306 97.16640 3.003590 2.401093 
6.340823 
1 1 1 11  25  23 o 105.3707 2.879037  2331.281       118.0910 2402.715       
212.5222 2299.372       142.0376 106.3648 4.759130 104.3767 3.241313 1.988083 
5.758075 
1 1 1 11  25  24 o 24.85450 6.134739  125.9990       73.98222 69.01352       
152.3492 143.5839       84.63084 24.21758 9.752007 25.49142 7.445702 -1.273842 
12.26948 
1 1 1 11  25  25 o 59.32729 4.004922  749.0978       87.77512 763.8357       
171.5805 743.8737       102.1540 59.44100 6.875480 59.21357 4.109182 0.2274284 
8.009844 
1 1 1 11  25  26 o 21.67065 6.109176  65.02289       73.98643 35.98936       
157.6254 73.22706       83.79028 23.06755 9.666823 20.27375 7.472661 2.793798 
12.21835 
1 1 1 11  25  27 o 28.09977 6.143796  141.0458       64.64782 254.0825       
155.8303 117.5468       71.05054 33.16364 10.20156 23.03589 6.849318 10.12774 
12.28759 
1 1 1 11  25  28 o 24.40514 6.824100  -27.99811      103.7382 261.1518       
200.2236 -134.0993      121.2869 33.76648 11.63639 15.04381 7.132158 18.72267 
13.64820 
1 1 1 11  25  29 o 29.36458 7.281109  143.6419       104.1979 325.5392       
198.9925 74.92784       122.3055 36.44363 11.58490 22.28552 8.823170 14.15811 
14.56222 
1 1 1 11  25  30 o 22.79026 6.395049  70.12332       99.92745 -189.1375      
204.9750 150.9510       114.4491 19.58501 9.278822 25.99551 8.802845 -6.410498 
12.79010 
1 1 1 11  25  31 o 72.02999 5.031358  1204.612       138.2056 1075.273       
245.1628 1264.862       167.3275 67.96174 8.592332 76.09824 5.237375 -8.136505 
10.06272 
1 1 1 11  25  32 f 83.27783 5.320050  1665.637       164.3184 1411.375       
298.3281 1776.368       196.8737 76.61037 9.275292 89.94529 5.213511 -13.33492 
10.64010 
1 1 1 11  25  33 o 70.27318 5.027173  1097.994       134.6799 1236.993       
254.0785 1043.676       158.8295 72.01928 8.403114 68.52707 5.520647 3.492210 
10.05435 
1 1 1 11  25  34 o 38.48232 7.004503  424.1948       112.2837 279.3043       
231.2062 468.9142       128.4480 31.91718 12.25256 45.04744 6.791695 -13.13026 
14.00901 
1 1 1 11  25  35 o 21.27478 6.802066  -4.880736      112.8560 76.68850       
223.9649 -32.64131      130.6565 24.87163 10.97542 17.67793 8.038198 7.193701 
13.60413 
1 1 1 11  25  36 o 42.87444 7.248419  485.0774       115.4165 584.6313       
233.0042 452.7085       132.8614 43.15472 12.27465 42.59417 7.713064 0.5605507 
14.49684 
1 1 1 11  25  37 o 25.82924 7.120677  139.0568       101.5234 330.7087       
198.2561 70.93743       118.1967 31.59069 11.50902 20.06780 8.388005 11.52289 
14.24135 
1 1 1 11  25  38 o 28.36788 7.689543  245.7518       113.5747 369.5395       
241.2912 210.5205       128.7264 30.28986 12.24153 26.44590 9.309200 3.843956 
15.37909 
1 1 1 11  26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  26  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  26  2  o 84.87965 2.168111  1525.933       72.52326 1498.083       
126.0521 1539.713       88.66880 84.23439 3.564360 85.52493 2.469444 -1.290535 
4.336222 
1 1 1 11  26  3  o 59.62199 2.485772  758.8560       58.51525 723.6406       
100.5405 776.8949       71.95821 58.50933 4.092955 60.73466 2.822051 -2.225330 
4.971544 
1 1 1 11  26  4  o 110.9199 2.367864  2588.073       106.3768 2615.699       
175.6697 2572.078       133.6715 111.3242 3.758620 110.5156 2.880953 0.8085861 
4.735727 
1 1 1 11  26  5  o 74.35127 2.494395  1159.447       74.15231 1185.904       
126.4363 1145.576       91.55013 74.94507 4.018369 73.75747 2.956474 1.187599 
4.988790 
1 1 1 11  26  6  o 14.45634 4.513188  -16.79513      51.45340 -71.23386      
96.07175 5.100456       60.92844 14.69670 6.755842 14.21599 5.986156 0.4807110 
9.026376 
1 1 1 11  26  7  o 139.3089 2.728022  4024.302       143.3877 4251.267       
274.0652 3938.760       168.2525 141.8271 4.602732 136.7906 2.929722 5.036499 
5.456043 
1 1 1 11  26  8  o 102.5451 2.511457  2333.417       96.52868 1946.190       
174.9669 2502.846       115.7356 96.00602 4.340888 109.0841 2.527124 -13.07809 
5.022914 
1 1 1 11  26  9  o 170.6384 4.725769  6171.514       316.8687 6264.597       
557.9367 6127.196       384.9806 171.1834 7.763264 170.0934 5.391037 1.089981 
9.451537 
1 1 1 11  26  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  26  11 o 37.05732 6.034235  317.8798       91.91156 226.8736       
152.5389 369.7540       115.1652 32.41522 10.11802 41.69942 6.578277 -9.284203 
12.06847 
1 1 1 11  26  12 f 48.73028 5.023621  487.0216       98.67023 573.7385       
169.7776 442.7933       121.2493 51.80681 7.805751 45.65376 6.325922 6.153053 
10.04724 
1 1 1 11  26  13 o 90.20159 3.953798  1663.206       139.1329 1889.293       
254.7729 1567.125       166.0859 94.27657 6.436807 86.12662 4.593212 8.149948 
7.907596 
1 1 1 11  26  14 o 67.03729 4.522244  937.3348       116.2458 999.8712       
216.5062 912.0046       137.7915 68.41518 7.537703 65.65940 4.998580 2.755775 
9.044488 
1 1 1 11  26  15 o 61.01932 4.601001  734.4337       109.3719 950.3740       
205.2806 648.8370       129.2437 66.71565 7.328941 55.32298 5.564483 11.39267 
9.202003 
1 1 1 11  26  16 o 74.92184 4.577429  1241.463       126.5093 1094.206       
238.5702 1299.070       149.2168 71.44589 7.953532 78.39779 4.533514 -6.951897 
9.154859 
1 1 1 11  26  17 o 162.9983 5.150208  5730.629       339.5284 5493.017       
554.0261 5873.544       429.6696 159.8397 8.255939 166.1568 6.159388 -6.317062 
10.30042 
1 1 1 11  26  18 o 175.7853 5.712743  6735.053       392.8455 6395.299       
684.3655 6902.023       479.7614 171.6201 9.498191 179.9505 6.350285 -8.330368 
11.42549 
1 1 1 11  26  19 o 39.93020 6.858090  372.8323       106.1739 291.3916       
210.1780 400.7356       123.0253 36.57428 11.92918 43.28613 6.769661 -6.711853 
13.71618 
1 1 1 11  26  20 o 54.46209 5.268007  629.5601       113.0328 663.2816       
199.5838 613.6368       137.1474 55.30199 8.596185 53.62219 6.092061 1.679794 
10.53601 
1 1 1 11  26  21 o 126.8049 4.444244  3479.310       218.0270 3338.067       
388.9485 3544.026       263.2803 124.4205 7.445971 129.1893 4.854146 -4.768845 
8.888488 
1 1 1 11  26  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  26  23 o 36.27591 7.191554  292.4207       107.3456 322.9910       
196.0334 279.3283       128.2890 37.51933 11.42213 35.03249 8.741204 2.486835 
14.38311 
1 1 1 11  26  24 o 94.30481 3.048141  1927.030       107.6042 1803.583       
201.7589 1976.101       127.2058 91.88945 5.229836 96.72017 3.132643 -4.830719 
6.096281 
1 1 1 11  26  25 o 23.49711 6.060788  43.70098       72.70998 221.5484       
149.4910 -11.40968      83.21644 31.43336 10.04607 15.56086 6.783008 15.87250 
12.12158 
1 1 1 11  26  26 o 35.55642 5.642317  278.0820       75.03569 296.2541       
147.9778 271.7923       87.05820 35.61787 9.654718 35.49496 5.842034 0.1229134 
11.28463 
1 1 1 11  26  27 o 34.92342 5.800376  254.7237       75.59223 348.9394       
150.3026 222.8238       87.45810 38.50949 9.372064 31.33735 6.836803 7.172138 
11.60075 
1 1 1 11  26  28 o 72.05753 4.563522  1152.430       124.4881 1103.833       
229.3741 1172.721       148.2164 70.27171 7.774724 73.84334 4.780858 -3.571625 
9.127045 
1 1 1 11  26  29 o 82.80977 4.618059  1541.435       136.1115 1459.748       
273.8730 1568.229       156.8543 80.18653 8.135211 85.43301 4.373125 -5.246483 
9.236118 
1 1 1 11  26  30 o 45.70128 6.714264  503.6638       111.5712 495.7274       
220.8965 506.3818       129.2724 43.66798 11.77779 47.73457 6.450509 -4.066593 
13.42853 
1 1 1 11  26  31 f 47.34442 6.653840  581.3795       105.9436 475.1227       
226.4921 611.1396       119.8651 41.96099 12.15629 52.72786 5.414692 -10.76686 
13.30768 
1 1 1 11  26  32 o 99.85341 3.917557  2223.403       158.5831 2152.970       
257.1942 2266.606       201.4303 97.83554 6.261602 101.8713 4.709708 -4.035744 
7.835114 
1 1 1 11  26  33 o 33.86398 7.629345  296.9443       113.1598 328.7095       
224.1127 286.0746       131.0988 34.19495 12.25822 33.53300 9.086453 0.6619530 
15.25869 
1 1 1 11  26  34 o 23.94197 7.182842  33.33375       111.8108 246.2708       
223.1130 -38.07790      129.2063 30.36690 11.95032 17.51703 7.972624 12.84987 
14.36568 
1 1 1 11  26  35 o 37.35328 6.940079  426.5765       120.0897 212.6917       
229.4576 507.2621       140.9322 28.66046 11.81152 46.04610 7.290182 -17.38564 
13.88016 
1 1 1 11  26  36 o 92.17580 5.116752  2042.970       165.5060 2097.037       
339.9707 2026.176       189.4746 89.33482 9.064457 95.01679 4.749759 -5.681976 
10.23350 
1 1 1 11  26  37 o 22.89822 7.156422  86.34396       117.7975 200.4326       
238.0297 49.33947       135.5617 26.13363 11.43099 19.66280 8.613366 6.470835 
14.31284 
1 1 1 11  26  38 o 24.06265 7.329551  143.7425       135.0887 267.6885       
206.6592 51.26635       178.5063 27.41294 11.23851 20.71237 9.411970 6.700565 
14.65910 
1 1 1 11  27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  27  2  o 65.19886 2.145303  944.3553       53.57269 773.7175       
93.04347 1028.981       65.52402 60.48266 3.664174 69.91506 2.232291 -9.432400 
4.290606 
1 1 1 11  27  3  o 116.1736 2.400800  2914.657       109.6297 2660.326       
187.6462 3046.455       135.0812 112.1058 3.986875 120.2413 2.675854 -8.135445 
4.801600 
1 1 1 11  27  4  o 129.3324 2.517482  3567.200       127.4180 3437.680       
223.2888 3629.741       155.1610 127.4246 4.173831 131.2402 2.816026 -3.815643 
5.034965 
1 1 1 11  27  5  o 57.60043 2.879882  715.4888       64.85806 663.0354       
112.6052 741.5289       79.34039 55.90498 4.797657 59.29588 3.187065 -3.390900 
5.759765 
1 1 1 11  27  6  o 69.17459 2.557194  1003.965       71.81973 1034.435       
118.4373 986.2456       90.32065 69.95202 4.032826 68.39716 3.145358 1.554863 
5.114388 
1 1 1 11  27  7  o 54.01545 3.151900  629.4739       68.19984 575.0798       
112.2769 661.2781       85.85329 52.05825 5.137144 55.97264 3.653442 -3.914391 
6.303800 
1 1 1 11  27  8  o 139.1281 2.742290  4020.622       150.1726 4278.792       
266.7412 3900.822       181.7050 142.2099 4.467674 136.0463 3.181274 6.163574 
5.484580 
1 1 1 11  27  9  o 139.8083 4.180156  4180.618       231.1832 4089.291       
398.0316 4227.111       283.9968 138.3316 6.853577 141.2850 4.787827 -2.953415 
8.360312 
1 1 1 11  27  10 o 82.26239 4.868714  1434.669       166.5966 1368.098       
219.1003 1525.909       256.5022 80.09303 6.515823 84.43175 7.236129 -4.338722 
9.737429 
1 1 1 11  27  11 o 165.2467 4.835419  5879.462       329.6924 5548.108       
507.3610 6121.646       433.7546 160.8918 7.511114 169.6016 6.091655 -8.709824 
9.670837 
1 1 1 11  27  12 o 113.8131 3.897493  2750.967       177.8483 2746.246       
299.4508 2753.539       221.0592 113.5473 6.281590 114.0788 4.615563 
-0.5314407     7.794986 
1 1 1 11  27  13 o 90.11815 3.727636  1733.236       135.1328 1684.595       
224.3081 1760.948       169.3051 88.98088 6.004395 91.25542 4.419085 -2.274536 
7.455271 
1 1 1 11  27  14 o 38.78323 6.239134  343.3734       93.22728 294.3901       
174.8919 362.8168       110.1874 36.31226 10.73470 41.25420 6.361869 -4.941936 
12.47827 
1 1 1 11  27  15 o 88.14244 4.079463  1697.504       140.1742 1524.578       
242.2795 1784.514       171.8585 84.44445 6.833869 91.84042 4.457160 -7.395973 
8.158925 
1 1 1 11  27  16 o 49.97639 5.042459  523.1641       97.91066 567.7320       
178.7053 504.0471       117.0409 51.28004 8.300611 48.67274 5.727602 2.607300 
10.08492 
1 1 1 11  27  17 o 31.72250 7.128657  211.3081       103.3490 253.1608       
172.4370 187.8463       129.1068 33.97528 10.78260 29.46972 9.327726 4.505562 
14.25731 
1 1 1 11  27  18 f 81.20103 4.141619  1388.546       132.9684 1458.495       
233.1911 1354.845       161.8610 82.49342 6.733080 79.90863 4.824693 2.584793 
8.283237 
1 1 1 11  27  19 o 144.9819 4.098232  4512.539       244.5393 4341.616       
381.6030 4631.635       318.5390 142.3859 6.383604 147.5780 5.141171 -5.192078 
8.196465 
1 1 1 11  27  20 o 106.3884 4.156030  2360.687       172.1301 2577.615       
313.5532 2267.113       205.9355 109.4691 6.822455 103.3076 4.748101 6.161507 
8.312060 
1 1 1 11  27  21 o 81.00356 4.000134  1392.302       130.4424 1437.718       
219.3580 1367.456       162.2457 81.82087 6.385729 80.18625 4.819415 1.634621 
8.000268 
1 1 1 11  27  22 o 23.34088 6.614139  60.79453       102.7242 -96.89371      
188.2462 127.6625       122.5846 21.14864 9.624902 25.53311 9.074613 -4.384470 
13.22828 
1 1 1 11  27  23 o 42.74399 6.614348  362.5227       108.7076 607.0297       
203.9023 265.4279       128.4915 51.44329 9.793514 34.04469 8.893002 17.39861 
13.22870 
1 1 1 11  27  24 o 44.18708 10.97565  462.3073       202.9526 462.3073       
202.9526 0.000000       0.000000 44.18708 10.97565 ?        ?        ? ? 
1 1 1 11  27  25 o 43.78613 6.655444  458.3043       111.4279 388.5502       
204.2418 487.8647       132.9584 40.22810 11.50805 47.34416 6.689143 -7.116062 
13.31089 
1 1 1 11  27  26 o 20.52179 5.719983  48.32140       68.74968 104.5430       
122.0671 22.20226       83.20058 23.93528 8.980484 17.10829 7.086871 6.826986 
11.43997 
1 1 1 11  27  27 o 41.36396 6.323583  444.5215       87.67146 307.0605       
200.2753 477.1075       97.51085 35.66036 11.64476 47.06755 4.934605 -11.40719 
12.64717 
1 1 1 11  27  28 f 25.99976 6.826867  136.7326       103.5733 -13.37053      
196.0014 194.8861       121.9980 23.09675 10.22006 28.90278 9.053995 -5.806034 
13.65373 
1 1 1 11  27  29 o 40.30639 6.911329  374.3610       100.4792 443.1219       
215.7858 355.3244       113.5393 41.33004 11.83055 39.28273 7.148695 2.047310 
13.82266 
1 1 1 11  27  30 o 82.00517 4.899160  1607.287       149.8151 1283.115       
265.5906 1758.573       181.4361 74.08612 8.538801 89.92423 4.805824 -15.83811 
9.798320 
1 1 1 11  27  31 o 39.87623 7.311529  397.0278       114.4925 439.2556       
217.8558 380.9142       134.5755 40.08166 12.00905 39.67080 8.343651 0.4108620 
14.62306 
1 1 1 11  27  32 o 64.46386 5.090530  891.6475       125.7671 1145.747       
241.7680 797.3762       147.2603 69.30099 8.309607 59.62673 5.882554 9.674267 
10.18106 
1 1 1 11  27  33 o 24.62456 7.146478  26.74229       104.7341 303.8110       
221.7451 -52.81527      118.8231 32.82556 12.14584 16.42355 7.534398 16.40200 
14.29296 
1 1 1 11  27  34 o 19.17960 6.015319  5.979785       95.91559 -130.8204      
183.7657 57.20215       112.4478 18.46642 8.766246 19.89278 8.239490 -1.426357 
12.03064 
1 1 1 11  27  35 o 46.34827 7.036509  514.6285       119.8158 783.7941       
239.9037 425.1776       138.2991 51.99347 11.30603 40.70307 8.379943 11.29040 
14.07302 
1 1 1 11  27  36 o 21.40018 6.459785  53.32257       117.2764 -287.3458      
237.0833 163.6864       134.9424 17.97461 8.852880 24.82575 9.409666 -6.851135 
12.91957 
1 1 1 11  27  37 o 22.98402 6.868915  129.2254       121.3627 -61.45535      
240.2563 194.5486       140.6226 20.45329 9.802646 25.51474 9.624764 -5.061445 
13.73783 
1 1 1 11  28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  28  2  o 71.44888 2.581987  1076.555       77.45125 0.000000       
0.000000 1076.555       77.45125 ?        ?        71.44888 2.581987 ? ? 
1 1 1 11  28  3  o 77.22519 2.247519  1254.146       66.37741 1274.234       
122.8503 1245.864       78.88315 77.55831 3.772844 76.89207 2.443564 0.6662445 
4.495038 
1 1 1 11  28  4  o 66.84560 2.602242  1006.740       62.33450 825.7006       
120.3976 1073.040       72.85994 62.32169 4.601502 71.36949 2.431629 -9.047798 
5.204483 
1 1 1 11  28  5  o 98.95872 2.379519  2134.246       94.23315 1827.889       
152.3109 2324.236       119.9451 92.91363 3.904566 105.0038 2.720811 -12.09019 
4.759038 
1 1 1 11  28  6  o 47.30277 3.369716  492.6148       61.97725 427.2098       
106.5097 526.0985       76.20789 44.72276 5.672595 49.88279 3.638901 -5.160034 
6.739431 
1 1 1 11  28  7  o 50.33905 3.475583  553.2123       66.38338 503.4719       
120.7934 574.7350       79.45790 48.53163 5.928429 52.14647 3.629386 -3.614845 
6.951166 
1 1 1 11  28  8  o 25.66674 5.399540  143.4299       60.15240 141.3457       
104.8932 144.4512       73.42542 25.84720 8.427341 25.48628 6.752783 0.3609219 
10.79908 
1 1 1 11  28  9  o 92.13313 3.539941  1756.148       131.1195 1966.705       
225.0912 1648.005       161.3146 96.06818 5.580844 88.19807 4.356479 7.870117 
7.079882 
1 1 1 11  28  10 o 74.18310 3.717282  1163.502       106.0334 1187.748       
194.4736 1153.245       126.4886 74.53828 6.214443 73.82791 4.080861 0.7103729 
7.434563 
1 1 1 11  28  11 o 51.47094 4.583428  564.6680       93.97270 574.8845       
161.0774 559.3965       115.7036 51.66667 7.425833 51.27520 5.374780 0.3914680 
9.166857 
1 1 1 11  28  12 o 118.7830 3.941838  3017.753       187.4706 2960.958       
315.0599 3048.884       233.2588 117.6507 6.378517 119.9153 4.633237 -2.264580 
7.883677 
1 1 1 11  28  13 o 100.3559 3.607560  2145.127       147.1890 2119.402       
239.3065 2160.781       186.6751 99.71551 5.716271 100.9964 4.402524 -1.280876 
7.215121 
1 1 1 11  28  14 o 74.46996 4.158793  1116.065       119.3700 1355.772       
226.2428 1023.592       140.5210 79.49554 6.778804 69.44437 4.819759 10.05117 
8.317587 
1 1 1 11  28  15 o 83.66388 3.960392  1460.990       127.9999 1571.564       
235.7062 1414.744       152.4350 85.62766 6.556588 81.70010 4.444093 3.927559 
7.920784 
1 1 1 11  28  16 f 36.83112 6.719413  301.3403       101.4839 337.3723       
169.9653 281.3774       126.5106 38.39061 10.32072 35.27162 8.607249 3.118984 
13.43883 
1 1 1 11  28  17 o 125.0632 4.646085  3368.714       228.1446 3326.352       
399.0414 3389.285       278.0757 123.9741 7.666694 126.1524 5.250354 -2.178329 
9.292170 
1 1 1 11  28  18 o 81.33937 4.223388  1384.235       126.6958 1483.960       
251.3742 1350.275       146.6903 82.89664 7.222788 79.78210 4.379425 3.114540 
8.446776 
1 1 1 11  28  19 o 86.13589 4.247284  1545.454       136.5460 1688.567       
267.0695 1494.803       158.8821 88.37724 7.197885 83.89455 4.510892 4.482689 
8.494569 
1 1 1 11  28  20 o 46.95821 6.808311  577.8278       115.1383 334.7081       
225.5914 663.4670       133.8901 38.25407 12.35259 55.66235 5.729385 -17.40828 
13.61662 
1 1 1 11  28  21 o 81.42026 4.748263  1421.207       146.2226 1459.314       
275.4842 1406.261       172.5326 81.67043 8.034390 81.17008 5.062864 0.5003433 
9.496527 
1 1 1 11  28  22 o 41.27282 6.776411  453.5030       116.2015 188.3306       
216.0669 561.4094       137.8313 31.57396 11.92456 50.97168 6.440802 -19.39772 
13.55282 
1 1 1 11  28  23 o 94.55725 4.056330  1900.521       145.4900 1981.938       
274.0143 1868.558       171.6902 95.45581 6.837416 93.65870 4.366349 1.797112 
8.112660 
1 1 1 11  28  24 o 91.00024 4.376154  1711.765       150.6820 1994.331       
291.9730 1609.185       175.9195 95.31275 7.296470 86.68774 4.833675 8.625015 
8.752308 
1 1 1 11  28  25 o 27.38231 9.194164  164.6746       124.8506 0.000000       
0.000000 164.6746       124.8506 ?        ?        27.38231 9.194164 ? ? 
1 1 1 11  28  26 o 35.31882 11.90218  299.6461       209.2278 299.6461       
209.2278 0.000000       0.000000 35.31882 11.90218 ?        ?        ? ? 
1 1 1 11  28  27 f 118.1803 5.550322  2996.739       229.6891 3446.398       
495.0005 2873.355       259.2937 121.3625 9.714988 114.9981 5.370595 6.364395 
11.10064 
1 1 1 11  28  28 o 45.91361 6.679141  516.3672       114.2758 472.5020       
214.6068 533.7272       135.0080 42.82426 11.63527 49.00296 6.562335 -6.178696 
13.35828 
1 1 1 11  28  29 o 37.27470 7.155064  357.7737       110.0174 308.0383       
207.2338 377.2922       129.8227 34.63400 11.84533 39.91540 8.029188 -5.281399 
14.31013 
1 1 1 11  28  30 o 51.95829 6.135303  633.6595       114.3352 672.0732       
222.2800 619.8395       133.3253 51.19311 10.69057 52.72346 6.023234 -1.530357 
12.27061 
1 1 1 11  28  31 o 61.81907 4.763127  844.3705       118.6057 973.5318       
203.0720 777.4992       146.1180 64.71991 7.473659 58.91823 5.907110 5.801682 
9.526254 
1 1 1 11  28  32 o 33.64439 7.627669  296.5102       112.6043 320.6105       
227.3686 288.6781       129.6164 33.64775 12.31856 33.64103 8.998796 
0.6717682E-02  15.25534 
1 1 1 11  28  33 o 21.51108 6.802711  -7.207852      111.1492 117.3546       
216.2454 -51.93190      129.5758 25.91506 11.10791 17.10710 7.856328 8.807962 
13.60542 
1 1 1 11  28  34 o 28.34714 6.968381  226.4387       114.7353 8.180997       
225.8698 302.3425       133.2003 23.01287 10.49196 33.68141 9.173451 -10.66854 
13.93676 
1 1 1 11  28  35 o 25.31889 7.036685  123.3825       100.2672 292.4491       
192.9921 60.87572       117.3476 30.77591 11.34118 19.86187 8.332909 10.91404 
14.07337 
1 1 1 11  28  36 o 27.78055 7.615240  235.4874       118.3075 270.7661       
238.1216 223.9248       136.3235 28.10062 11.83354 27.46048 9.588272 0.6401367 
15.23048 
1 1 1 11  28  37 o 30.90207 7.703465  332.5313       121.6268 332.4370       
248.0362 332.5611       139.5571 28.80319 12.10091 33.00094 9.536326 -4.197748 
15.40693 
1 1 1 11  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  29  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  29  3  o 18.36850 4.990777  52.36729       50.83698 47.69220       
93.42355 54.33395       60.59350 19.32527 7.692339 17.41174 6.360763 1.913530 
9.981553 
1 1 1 11  29  4  o 89.25671 2.262437  1698.464       82.19539 1628.414       
132.2065 1742.600       104.9428 87.65680 3.592430 90.85663 2.751168 -3.199829 
4.524873 
1 1 1 11  29  5  o 45.45321 3.032055  438.4837       51.60499 440.9344       
98.54122 437.5576       60.57568 45.41020 5.168750 45.49621 3.171350 
-0.8600998E-01 6.064111 
1 1 1 11  29  6  o 65.41655 2.681333  925.7695       70.64423 834.2435       
114.3879 982.2028       89.82052 62.65109 4.348831 68.18201 3.137811 -5.530914 
5.362667 
1 1 1 11  29  7  o 68.24258 2.713780  961.0308       74.13868 1070.888       
128.3850 906.0676       90.81049 71.01119 4.306343 65.47398 3.303607 5.537209 
5.427560 
1 1 1 11  29  8  o 33.07512 4.932029  240.5179       62.14864 241.3430       
114.8422 240.1762       73.90588 32.60532 8.352289 33.54493 5.247752 
-0.9396095     9.864058 
1 1 1 11  29  9  o 33.23491 5.941993  260.2124       82.18449 198.5226       
137.3283 294.6345       102.5821 30.08339 9.630144 36.38643 6.963437 -6.303040 
11.88399 
1 1 1 11  29  10 o 90.10198 3.301445  1723.755       119.7077 1732.536       
200.2355 1718.871       149.3323 90.12041 5.292233 90.08356 3.948473 
0.3684998E-01  6.602891 
1 1 1 11  29  11 o 91.90218 4.036674  1842.414       137.7597 1725.237       
261.3060 1887.517       162.1192 89.42941 6.959692 94.37495 4.091653 -4.945534 
8.073347 
1 1 1 11  29  12 o 28.68836 6.641025  182.9335       91.26714 94.89659       
173.6236 216.5481       107.2855 26.40146 10.49363 30.97525 8.142272 -4.573788 
13.28205 
1 1 1 11  29  13 o 45.48184 5.224316  383.8117       89.69740 659.2211       
175.4427 286.3458       104.3692 55.14605 7.577778 35.81763 7.193830 19.32843 
10.44863 
1 1 1 11  29  14 o 68.74296 5.247713  1014.785       150.6440 883.9332       
203.6967 1172.747       223.8060 63.84122 7.599831 73.64470 7.238544 -9.803482 
10.49543 
1 1 1 11  29  15 o 77.87281 4.016031  1372.446       120.1898 1087.651       
204.5638 1522.588       148.5302 71.01037 6.861644 84.73525 4.175147 -13.72488 
8.032062 
1 1 1 11  29  16 o 72.32391 4.501132  1114.034       123.2689 1149.707       
232.2684 1100.047       145.4417 72.75607 7.603998 71.89176 4.818710 0.8643036 
9.002264 
1 1 1 11  29  17 f 58.36414 4.670697  650.4993       107.6676 1073.859       
192.9494 459.0690       129.7460 70.60173 6.509522 46.12654 6.699833 24.47519 
9.341394 
1 1 1 11  29  18 o 84.43152 4.089247  1563.930       137.7129 1405.936       
227.2756 1655.591       173.1107 80.67493 6.710198 88.18810 4.675576 -7.513168 
8.178494 
1 1 1 11  29  19 o 44.24396 6.257054  421.9264       109.0856 557.0865       
183.0911 347.5434       135.8250 49.45047 9.163100 39.03745 8.522941 10.41301 
12.51411 
1 1 1 11  29  20 o 112.0005 4.102866  2786.985       182.6026 2381.165       
298.5975 3029.413       230.7868 104.7799 6.787807 119.2212 4.610825 -14.44131 
8.205732 
1 1 1 11  29  21 o 78.91212 4.536345  1367.833       143.0829 1281.233       
237.7482 1417.012       179.1609 76.52402 7.400151 81.30023 5.248952 -4.776215 
9.072691 
1 1 1 11  29  22 o 23.24203 6.821010  31.69666       100.2265 120.9343       
187.9210 -3.778649      118.4852 27.65735 10.94094 18.82672 8.148657 8.830637 
13.64202 
1 1 1 11  29  23 f 24.60421 7.007179  73.86385       101.4336 128.6523       
192.2376 52.72478       119.4089 27.99262 11.06831 21.21581 8.596209 6.776810 
14.01436 
1 1 1 11  29  24 o 100.9914 4.316949  2214.865       172.4335 2243.102       
298.8587 2200.773       211.1182 100.8527 7.058289 101.1301 4.972402 
-0.2774353     8.633899 
1 1 1 11  29  25 o 89.62404 4.680257  1786.537       156.5029 1727.552       
295.6363 1809.502       184.4711 87.58312 8.040043 91.66496 4.793427 -4.081833 
9.360515 
1 1 1 11  29  26 o 18.18998 6.054121  -113.9855      105.0660 -120.4460      
201.4740 -111.5724      123.1348 20.77132 9.639017 15.60865 7.327950 5.162668 
12.10824 
1 1 1 11  29  27 o 18.61521 8.176259  -8.827053      122.8234 0.000000       
0.000000 -8.827053      122.8234 ?        ?        18.61521 8.176259 ? ? 
1 1 1 11  29  28 o 46.91638 12.20291  587.4292       242.5970 587.4292       
242.5970 0.000000       0.000000 46.91638 12.20291 ?        ?        ? ? 
1 1 1 11  29  29 o 39.38883 6.714144  436.3503       111.6820 226.0720       
210.4962 518.7348       131.7558 30.78974 11.72821 47.98792 6.539717 -17.19818 
13.42829 
1 1 1 11  29  30 o 23.63910 6.305909  89.22856       102.2255 -135.9892      
172.7887 210.5083       126.7968 18.18174 8.575753 29.09645 9.247399 -10.91471 
12.61182 
1 1 1 11  29  31 o 44.88015 6.638640  627.3955       122.0540 227.8513       
223.1180 798.0184       145.8044 30.19341 11.92872 59.56689 5.830242 -29.37348 
13.27728 
1 1 1 11  29  32 o 21.36193 6.789014  -5.933511      110.1231 90.25406       
219.7751 -38.17980      127.2503 25.34065 11.03477 17.38321 7.911807 7.957438 
13.57803 
1 1 1 11  29  33 o 34.95150 7.837667  282.8820       118.7100 568.8809       
236.0398 186.0524       137.3432 43.02868 12.39183 26.87433 9.599929 16.15434 
15.67533 
1 1 1 11  29  34 f 31.91474 7.786880  288.1073       116.6490 346.0646       
233.3911 268.8087       134.6768 32.61489 12.37112 31.21458 9.460304 1.400318 
15.57376 
1 1 1 11  29  35 o 23.58729 7.026662  128.6646       116.8835 34.30690       
233.7776 160.1134       134.9635 22.68218 10.47091 24.49240 9.373146 -1.810219 
14.05332 
1 1 1 11  29  36 o 18.71699 6.139690  -32.77824      102.0723 109.4109       
191.4519 -89.24592      120.6497 22.69084 10.06290 14.74313 7.037133 7.947708 
12.27938 
1 1 1 11  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  30  3  o 46.91754 3.352923  495.6889       60.86995 407.1541       
103.4879 542.5201       75.26637 43.32434 5.689560 50.51074 3.549264 -7.186394 
6.705846 
1 1 1 11  30  4  o 37.42926 4.181161  320.9925       58.38307 274.2736       
101.6155 344.0144       71.33193 34.71668 7.212036 40.14183 4.232606 -5.425156 
8.362322 
1 1 1 11  30  5  o 65.55589 3.812009  909.2151       74.00990 948.4059       
194.5363 902.5828       80.02760 65.78564 7.043534 65.32615 2.917923 0.4594955 
7.624018 
1 1 1 11  30  6  o 15.30662 4.564116  -5.385880      46.60608 49.43679       
86.48241 -27.82416      55.32769 18.91121 7.440777 11.70203 5.287670 7.209182 
9.128232 
1 1 1 11  30  7  o 45.80925 3.440350  451.1218       59.95268 442.7553       
110.7761 454.5875       71.29668 45.32692 5.821180 46.29158 3.668498 
-0.9646683     6.880699 
1 1 1 11  30  8  o 36.73382 4.318671  304.4333       59.05622 274.3924       
105.5346 318.1293       71.25779 34.81705 7.437727 38.65059 4.391342 -3.833542 
8.637341 
1 1 1 11  30  9  o 109.2309 3.510308  2534.939       149.2183 2588.361       
267.7629 2510.875       179.7105 109.7043 5.813637 108.7576 3.935819 0.9467392 
7.020616 
1 1 1 11  30  10 o 56.87581 3.789002  687.0469       88.45829 720.2284       
142.1399 666.0726       113.0092 57.87872 5.849491 55.87290 4.817633 2.005821 
7.578003 
1 1 1 11  30  11 o 38.29000 5.326327  282.4531       81.39492 522.8268       
143.9249 169.4229       98.69370 49.08152 6.984558 27.49849 8.043320 21.58302 
10.65265 
1 1 1 11  30  12 o 109.1454 3.750697  2642.937       162.4032 2223.141       
265.2869 2894.561       205.3867 101.5671 6.221338 116.7236 4.191165 -15.15649 
7.501394 
1 1 1 11  30  13 o 93.09408 3.889680  1919.492       136.7416 1707.272       
248.7354 2011.409       163.6975 88.83609 6.669129 97.35207 4.005143 -8.515976 
7.779361 
1 1 1 11  30  14 o 46.00804 5.420780  434.0836       92.08660 554.3294       
180.3857 391.7013       107.0925 49.34384 9.044691 42.67225 5.977709 6.671589 
10.84156 
1 1 1 11  30  15 o 60.14252 4.462900  720.6564       101.5534 923.5974       
200.5425 650.6680       117.7700 65.11000 7.336346 55.17504 5.084087 9.934963 
8.925800 
1 1 1 11  30  16 o 55.61977 5.559018  729.1750       111.6135 582.5211       
199.2753 796.2117       134.7295 50.25786 9.793764 60.98169 5.262405 -10.72383 
11.11804 
1 1 1 11  30  17 o 78.03922 4.247404  1244.551       123.3467 1463.894       
246.1814 1171.030       142.5274 81.96442 7.154033 74.11401 4.580565 7.850418 
8.494808 
1 1 1 11  30  18 o 76.70979 4.212885  1229.403       122.7775 1364.658       
233.9778 1178.009       144.2299 79.12105 7.043745 74.29854 4.623770 4.822510 
8.425770 
1 1 1 11  30  19 o 25.08104 6.738237  112.0146       93.17417 77.91125       
174.3872 125.6396       110.2264 25.41964 10.35622 24.74244 8.623458 0.6771946 
13.47647 
1 1 1 11  30  20 o 122.3090 4.396044  3141.945       202.4523 3487.031       
391.1996 3015.715       236.6001 125.9182 7.399989 118.6998 4.747732 7.218430 
8.792088 
1 1 1 11  30  21 o 27.34246 7.002191  142.7924       96.26208 186.0663       
178.6098 125.0768       114.2799 29.93148 10.92200 24.75344 8.765420 5.178041 
14.00438 
1 1 1 11  30  22 o 50.50972 5.787314  586.2833       104.5914 562.4241       
200.1833 595.2421       122.6659 48.58255 10.14521 52.43689 5.571961 -3.854343 
11.57463 
1 1 1 11  30  23 o 37.58327 6.798699  336.1940       100.1655 331.7187       
191.1763 337.8874       117.5992 36.79742 11.29542 38.36911 7.569863 -1.571690 
13.59740 
1 1 1 11  30  24 o 32.65176 7.084551  260.1447       101.4198 206.4434       
200.9329 278.5031       117.4835 30.88071 11.53467 34.42282 8.228901 -3.542110 
14.16910 
1 1 1 11  30  25 o 51.66366 6.117895  612.6990       110.9648 641.2855       
222.9171 603.2822       127.9427 50.86061 10.76929 52.46671 5.808350 -1.606094 
12.23579 
1 1 1 11  30  26 f 30.85868 6.855231  251.2493       106.6581 20.21736       
226.3894 317.1585       120.9186 25.13609 11.07008 36.58127 8.088885 -11.44518 
13.71046 
1 1 1 11  30  27 o 29.36634 7.627599  172.6182       105.1277 275.8065       
230.7758 145.5977       118.0925 33.27572 12.37502 25.45696 8.920753 7.818756 
15.25520 
1 1 1 11  30  28 o 21.97990 6.927703  5.659326       107.0671 45.56174       
233.2233 -4.995674      120.5172 25.58631 11.25229 18.37350 8.084441 7.212811 
13.85541 
1 1 1 11  30  29 o 63.81512 5.160530  898.2423       138.2601 0.000000       
0.000000 898.2423       138.2601 ?        ?        63.81512 5.160530 ? ? 
1 1 1 11  30  30 o 27.79765 7.248385  174.2868       133.2039 -131.4943      
243.0615 305.5432       159.2470 21.68716 10.21216 33.90813 10.28923 -12.22097 
14.49677 
1 1 1 11  30  31 f 45.67630 6.765750  630.9357       118.5837 335.1746       
223.2346 747.2017       139.9643 33.87759 12.22525 57.47500 5.800419 -23.59741 
13.53150 
1 1 1 11  30  32 o 19.98187 6.497921  -26.94963      110.4265 -12.74668      
219.3016 -31.77400      127.8124 22.47991 10.28052 17.48384 7.950020 4.996067 
12.99584 
1 1 1 11  30  33 o 17.72206 5.874175  -83.59212      110.9702 -359.5801      
224.9888 5.131882       127.5664 16.99510 8.419306 18.44902 8.193841 -1.453917 
11.74835 
1 1 1 11  30  34 o 21.85794 6.917683  31.83521       112.3897 167.8906       
226.4250 -12.64510      129.4644 26.01587 11.26251 17.70001 8.035746 8.315863 
13.83537 
1 1 1 11  30  35 o 30.36106 7.822961  301.4925       121.2303 354.4756       
244.2712 284.1776       139.6413 30.19840 12.27237 30.52372 9.704839 
-0.3253250     15.64592 
1 1 1 11  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  31  3  o 65.23105 3.028543  909.1732       82.70090 836.3843       
112.1300 995.9993       122.4658 62.38523 4.281155 68.07687 4.284857 -5.691647 
6.057086 
1 1 1 11  31  4  f 39.19460 3.845148  304.8108       59.60456 427.0691       
109.0861 252.7749       71.16753 44.19187 5.879602 34.19733 4.956908 9.994545 
7.690297 
1 1 1 11  31  5  f 80.14152 3.098358  1395.537       97.64185 1323.582       
168.4627 1431.939       119.8210 78.25061 5.127871 82.03242 3.479113 -3.781815 
6.196716 
1 1 1 11  31  6  o 74.90422 3.489577  1101.902       92.40533 1414.735       
202.8353 1019.971       103.8028 80.56993 5.996414 69.23850 3.570939 11.33143 
6.979153 
1 1 1 11  31  7  o 15.83949 5.019443  -7.755512      52.41037 -44.30267      
133.0919 -1.047955      57.01738 18.41664 8.267293 13.26235 5.694831 5.154293 
10.03889 
1 1 1 11  31  8  o 47.59856 3.316983  447.8765       61.68098 591.8909       
115.3988 390.2766       72.98086 52.41531 5.244016 42.78182 4.063224 9.633488 
6.633965 
1 1 1 11  31  9  o 14.95815 6.794258  -47.83490      92.80002 0.000000       
0.000000 -47.83490      92.80002 ?        ?        14.95815 6.794258 ? ? 
1 1 1 11  31  10 o 42.97651 5.165812  431.8220       81.54467 364.6796       
146.5410 461.9382       98.14345 39.56570 9.019222 46.38731 5.039451 -6.821613 
10.33162 
1 1 1 11  31  11 o 30.85940 5.936669  239.5849       84.97273 82.74705       
149.6124 314.2661       103.2399 24.30573 9.715126 37.41308 6.825868 -13.10736 
11.87334 
1 1 1 11  31  12 o 29.08690 6.686021  176.3731       89.70346 240.6270       
154.8209 143.9019       110.0599 32.33539 10.21240 25.83841 8.632398 6.496983 
13.37204 
1 1 1 11  31  13 o 26.35588 6.160329  155.3779       81.18661 71.74232       
144.5548 193.9148       98.12409 23.58539 9.498511 29.12636 7.847094 -5.540970 
12.32066 
1 1 1 11  31  14 o 62.98294 3.984208  854.1699       99.59971 859.2419       
171.3189 851.5804       122.4126 62.84970 6.492666 63.11617 4.619624 
-0.2664642     7.968415 
1 1 1 11  31  15 o 48.12713 5.426437  536.4321       96.88736 469.9430       
171.1788 567.7725       117.5240 44.90823 9.384170 51.34604 5.451811 -6.437805 
10.85287 
1 1 1 11  31  16 o 79.47272 3.876160  1284.129       117.7581 1552.487       
226.0720 1184.205       137.9507 84.48091 6.373959 74.46452 4.412609 10.01639 
7.752320 
1 1 1 11  31  17 o 20.22997 5.897526  28.89459       85.53647 -126.9672      
157.7910 93.75593       101.7901 18.07194 8.441676 22.38801 8.237801 -4.316069 
11.79505 
1 1 1 11  31  18 o 36.29215 5.952322  350.1324       91.86846 137.2075       
165.4135 445.1045       110.4730 27.26087 10.39300 45.32343 5.805697 -18.06255 
11.90464 
1 1 1 11  31  19 o 19.87674 6.237347  -7.609746      91.39120 -88.07144      
195.7077 14.82978       103.3523 21.41961 9.765770 18.33386 7.761940 3.085758 
12.47469 
1 1 1 11  31  20 o 21.94999 6.575879  -77.90596      99.86297 186.1808       
195.4113 -171.2543      116.1796 30.16291 11.35356 13.73708 6.638175 16.42583 
13.15176 
1 1 1 11  31  21 o 93.02649 4.306930  1964.422       153.0639 1701.783       
269.8123 2089.057       185.8669 87.40989 7.352284 98.64308 4.488039 -11.23319 
8.613860 
1 1 1 11  31  22 o 56.36114 5.444614  670.2981       114.4972 816.3990       
228.1110 621.0925       132.3813 59.44112 9.140718 53.28116 5.917986 6.159954 
10.88923 
1 1 1 11  31  23 o 82.20531 4.236504  1496.440       135.9286 1448.472       
238.3633 1519.557       165.4708 80.51851 7.051227 83.89211 4.698091 -3.373604 
8.473008 
1 1 1 11  31  24 o 29.00667 7.131380  195.3946       101.0083 155.3905       
197.4417 209.5760       117.5564 28.36816 11.21702 29.64517 8.809354 -1.277012 
14.26276 
1 1 1 11  31  25 o 60.23884 5.265909  811.1238       116.5378 855.8671       
229.3492 795.5507       135.3071 60.20791 9.073289 60.26977 5.347394 
-0.6185913E-01 10.53182 
1 1 1 11  31  26 o 39.13486 7.356366  394.0396       110.1417 369.2970       
238.7798 400.7269       124.1368 36.89117 12.70804 41.37854 7.414190 -4.487370 
14.71273 
1 1 1 11  31  27 o 41.71484 7.242585  419.2613       109.0135 500.9196       
235.9962 397.1106       122.9129 42.36986 12.45208 41.05983 7.400399 1.310032 
14.48517 
1 1 1 11  31  28 f 25.84766 7.512959  92.77862       111.3264 232.4505       
237.0551 53.25868       126.0965 30.87007 12.26414 20.82526 8.681541 10.04481 
15.02592 
1 1 1 11  31  29 o 51.59814 7.091169  667.8355       125.3586 713.6483       
265.4409 654.6846       142.2176 49.57254 12.69776 53.62374 6.317095 -4.051201 
14.18234 
1 1 1 11  31  30 o 23.25452 7.235586  29.94953       110.9896 170.7841       
247.7748 -5.403381      124.1410 28.28200 11.99815 18.22704 8.090693 10.05496 
14.47117 
1 1 1 11  31  31 o 23.52818 9.052201  123.5833       126.3922 0.000000       
0.000000 123.5833       126.3922 ?        ?        23.52818 9.052201 ? ? 
1 1 1 11  31  32 o 24.39509 7.590673  81.71508       134.9557 164.6591       
261.1503 51.49361       157.6361 27.33895 11.96562 21.45124 9.343299 5.887703 
15.18135 
1 1 1 11  31  33 o 29.68413 6.514080  275.1590       113.5432 -47.09803      
225.4205 384.7133       131.4338 21.17980 9.938327 38.18847 8.423929 -17.00866 
13.02816 
1 1 1 11  31  34 o 21.34513 6.664889  75.04876       112.8035 -20.46185      
230.6352 105.0809       129.3280 21.12033 9.945956 21.56993 8.874737 
-0.4496059     13.32978 
1 1 1 11  31  35 o 48.35366 6.930469  592.0463       115.4650 922.2095       
257.2627 508.7610       129.2102 51.77489 12.05032 44.93243 6.849485 6.842461 
13.86094 
1 1 1 11  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  32  4  o 21.63523 5.363572  86.94237       60.71221 150.4174       
97.17420 46.30085       77.75609 25.47572 8.095327 17.79474 7.038273 7.680981 
10.72714 
1 1 1 11  32  5  o 52.27991 3.498595  600.9088       71.44758 572.0327       
124.7234 615.0129       87.16718 50.99654 5.825435 53.56329 3.876205 -2.566753 
6.997190 
1 1 1 11  32  6  o 63.51038 3.330001  832.5561       83.10254 984.3200       
151.0248 766.6490       99.52459 67.20906 5.352314 59.81169 3.963377 7.397369 
6.660002 
1 1 1 11  32  7  o 64.82980 4.317881  900.0249       93.41504 963.9743       
212.0124 884.6191       104.0607 65.34412 7.728156 64.31548 3.853827 1.028641 
8.635761 
1 1 1 11  32  8  o 24.16306 5.941018  128.8849       76.30634 10.70152       
150.8907 169.4943       88.45000 21.26522 9.199792 27.06090 7.519749 -5.795681 
11.88204 
1 1 1 11  32  9  o 62.49910 4.771790  841.7689       125.2085 0.000000       
0.000000 841.7689       125.2085 ?        ?        62.49910 4.771790 ? ? 
1 1 1 11  32  10 o 29.21562 6.201905  159.7207       76.45594 310.5026       
149.3384 106.1614       89.00505 35.94823 9.678761 22.48302 7.757325 13.46521 
12.40381 
1 1 1 11  32  11 o 30.29487 5.725943  169.2769       78.65601 379.1272       
135.9938 63.78914       96.41959 40.36475 8.309366 20.22498 7.880363 20.13977 
11.45189 
1 1 1 11  32  12 o 80.71768 3.561023  1379.211       113.5461 1483.438       
200.3499 1329.894       137.8158 82.57948 5.778804 78.85590 4.162805 3.723579 
7.122045 
1 1 1 11  32  13 o 47.01560 4.919949  466.0265       91.76809 557.8495       
163.7360 423.9733       110.8071 49.93391 7.810333 44.09728 5.985173 5.836632 
9.839898 
1 1 1 11  32  14 o 60.26493 4.494128  807.2482       98.55787 770.2449       
192.8314 820.3328       114.6667 58.66436 7.829329 61.86550 4.414789 -3.201145 
8.988256 
1 1 1 11  32  15 o 50.37378 4.756845  511.9481       94.02010 698.4913       
174.8000 436.0108       111.5269 56.02386 7.431721 44.72369 5.939680 11.30017 
9.513689 
1 1 1 11  32  16 o 45.72860 5.560761  464.8973       96.51160 504.8050       
174.0461 447.1774       115.9755 46.22948 9.294266 45.22772 6.107772 1.001762 
11.12152 
1 1 1 11  32  17 o 73.90742 4.203679  1201.002       119.4384 1170.127       
215.6757 1214.659       143.4423 72.62397 7.073629 75.19089 4.543945 -2.566917 
8.407358 
1 1 1 11  32  18 o 75.29871 4.073723  1233.872       119.8407 1243.886       
212.2908 1229.189       145.1867 74.99993 6.742041 75.59747 4.574468 
-0.5975418     8.147446 
1 1 1 11  32  19 o 31.87057 7.192242  215.0563       99.14915 324.6850       
191.3110 174.7971       115.9338 36.17056 11.33938 27.57057 8.850525 8.599993 
14.38448 
1 1 1 11  32  20 f 49.15016 6.131452  565.0855       109.8487 557.0027       
207.0594 568.2515       129.5884 47.45482 10.65486 50.84550 6.070641 -3.390682 
12.26290 
1 1 1 11  32  21 o 27.64960 6.887877  133.5165       93.03229 282.6557       
176.4860 76.12792       109.4780 33.83269 10.92586 21.46652 8.390292 12.36617 
13.77575 
1 1 1 11  32  22 o 23.97741 6.999515  40.86221       97.96973 191.8445       
208.2087 -2.071661      111.0289 29.97788 11.60072 17.97695 7.835573 12.00094 
13.99903 
1 1 1 11  32  23 o 54.14154 6.269636  715.9656       115.9048 650.4833       
232.1312 737.7126       133.7736 50.31859 11.27013 57.96450 5.497045 -7.645905 
12.53927 
1 1 1 11  32  24 o 23.01668 7.017688  48.41470       114.5720 -29.58221      
228.5524 74.59367       132.4108 23.71151 10.72887 22.32186 9.048924 1.389648 
14.03538 
1 1 1 11  32  25 o 26.27341 7.346695  135.7116       106.2518 113.1932       
234.2531 141.5443       119.2209 27.44562 11.65578 25.10119 8.946420 2.344429 
14.69339 
1 1 1 11  32  26 o 17.81922 6.022807  -105.1067      102.6741 -192.0634      
227.7892 -82.93539      115.0211 20.20801 9.651271 15.43042 7.207620 4.777593 
12.04561 
1 1 1 11  32  27 o 62.35914 5.745780  863.8529       121.4274 1035.565       
273.3053 821.6215       135.5395 63.86012 10.19388 60.85817 5.304787 3.001945 
11.49156 
1 1 1 11  32  28 o 27.12821 7.250165  179.4574       109.5821 60.85088       
240.2270 210.6223       123.1402 25.45369 11.28215 28.80273 9.108928 -3.349041 
14.50033 
1 1 1 11  32  29 o 40.66658 7.049957  510.9954       120.7135 261.6711       
251.6142 585.5388       137.5806 30.97697 12.50831 50.35619 6.507668 -19.37922 
14.09991 
1 1 1 11  32  30 o 25.49319 6.577945  159.8958       109.5203 -216.8233      
247.9158 251.2412       122.0784 20.02293 9.679355 30.96344 8.909968 -10.94051 
13.15589 
1 1 1 11  32  31 o 34.95707 8.000574  254.1182       108.7171 643.7306       
264.4966 174.9117       119.2570 43.94679 13.24545 25.96734 8.977467 17.97944 
16.00115 
1 1 1 11  32  32 o 29.76631 8.030347  184.2844       109.8551 510.6297       
270.0477 119.5697       120.2550 36.94893 13.43499 22.58369 8.800401 14.36524 
16.06069 
1 1 1 11  32  33 o 15.96832 7.307504  -25.23261      111.0090 0.000000       
0.000000 -25.23261      111.0090 ?        ?        15.96832 7.307504 ? ? 
1 1 1 11  32  34 o 24.09822 7.405811  155.2823       129.6274 163.5099       
266.1696 152.7242       148.4176 24.73098 11.31663 23.46545 9.556052 1.265524 
14.81162 
1 1 1 11  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  33  4  o 23.20183 4.930043  134.0129       55.16988 47.46497       
101.3829 170.4241       65.75884 19.24188 7.877269 27.16178 5.930424 -7.919897 
9.860085 
1 1 1 11  33  5  o 45.74545 4.032228  448.2047       75.66650 608.9197       
118.5982 337.8751       98.26431 52.56619 5.373938 38.92471 6.013004 13.64149 
8.064455 
1 1 1 11  33  6  o 38.10219 4.929239  332.7145       69.64582 336.2928       
129.4797 331.2577       82.61516 37.28621 8.463092 38.91816 5.056249 -1.631954 
9.858478 
1 1 1 11  33  7  o 52.94536 3.856258  612.5239       78.09778 623.6289       
143.7692 607.8751       93.01863 52.79631 6.486098 53.09441 4.172941 
-0.2980995     7.712516 
1 1 1 11  33  8  o 46.32157 5.504561  525.5562       81.58332 447.6680       
177.5477 546.4033       91.85477 42.33156 10.11385 50.31159 4.348653 -7.980030 
11.00912 
1 1 1 11  33  9  o 40.07208 9.628428  394.9193       160.2086 0.000000       
0.000000 394.9193       160.2086 ?        ?        40.07208 9.628428 ? ? 
1 1 1 11  33  10 o 58.85607 3.690974  802.0429       84.36037 598.4660       
137.0628 926.1942       107.0363 51.97705 6.281004 65.73509 3.878421 -13.75804 
7.381949 
1 1 1 11  33  11 f 68.16402 3.745734  1012.933       95.36417 1011.867       
181.7583 1013.338       112.0215 67.55447 6.408574 68.77358 3.879725 -1.219116 
7.491467 
1 1 1 11  33  12 o 112.8507 3.721742  2719.757       163.0977 2915.786       
296.6236 2634.808       195.2645 114.9732 6.145115 110.7281 4.200358 4.245087 
7.443483 
1 1 1 11  33  13 o 28.90629 6.475179  202.7840       86.34212 135.9921       
166.9213 227.1832       100.8874 26.71897 10.37722 31.09361 7.747583 -4.374638 
12.95036 
1 1 1 11  33  14 o 87.29436 3.499120  1623.651       118.8360 1727.541       
215.1322 1578.032       142.5595 88.77376 5.772206 85.81496 3.956892 2.958794 
6.998240 
1 1 1 11  33  15 o 18.14669 5.781470  -60.08326      87.13802 28.97644       
153.9874 -102.0356      105.6873 21.95597 9.390963 14.33741 6.746215 7.618561 
11.56294 
1 1 1 11  33  16 o 23.97895 6.446476  111.2807       88.18916 48.89227       
162.5285 137.3141       104.9888 23.09875 9.754150 24.85916 8.431179 -1.760418 
12.89295 
1 1 1 11  33  17 o 41.29304 6.255173  453.7370       100.9108 270.7008       
180.2969 537.2281       121.7699 33.15950 11.04870 49.42657 5.868141 -16.26707 
12.51035 
1 1 1 11  33  18 o 99.10684 3.973771  2148.343       154.0324 2169.678       
272.2472 2138.298       186.8067 98.68752 6.570861 99.52618 4.470706 
-0.8386612     7.947542 
1 1 1 11  33  19 o 35.94473 6.512860  298.7408       94.74071 380.6779       
163.9843 257.6887       116.0726 39.11671 9.957108 32.77275 8.397939 6.343964 
13.02572 
1 1 1 11  33  20 o 25.64963 6.775109  127.1716       94.24101 185.7598       
161.7038 97.03608       115.9725 28.57001 10.39548 22.72925 8.691514 5.840757 
13.55022 
1 1 1 11  33  21 o 65.68762 4.657007  1037.454       111.9966 802.7551       
202.3953 1141.037       134.4585 58.76632 8.203383 72.60892 4.410821 -13.84260 
9.314013 
1 1 1 11  33  22 o 70.54160 4.640724  1121.572       125.7421 1112.604       
227.4779 1125.517       150.8900 69.34940 7.812994 71.73380 5.010232 -2.384392 
9.281448 
1 1 1 11  33  23 o 25.35496 7.190151  110.0099       106.1989 164.1438       
202.3680 89.43569       124.7583 28.18065 11.28432 22.52927 8.913878 5.651377 
14.38030 
1 1 1 11  33  24 o 42.10357 6.474143  421.0086       103.6573 500.4104       
191.2793 387.9954       123.3381 43.79205 10.51979 40.41509 7.549313 3.376957 
12.94829 
1 1 1 11  33  25 o 67.70273 4.977908  1030.099       120.0292 1108.501       
247.5562 1006.003       137.2399 67.73380 8.705417 67.67166 4.830527 
0.6213379E-01  9.955816 
1 1 1 11  33  26 o 52.90280 6.993788  718.8636       130.6917 702.3669       
258.1190 724.5506       151.5541 49.46016 12.43412 56.34544 6.406636 -6.885281 
13.98758 
1 1 1 11  33  27 o 48.73292 6.630944  538.9129       116.5151 759.0912       
240.3803 471.2971       133.2097 52.56246 11.22267 44.90337 7.066071 7.659084 
13.26189 
1 1 1 11  33  28 o 24.57434 7.237766  109.4100       109.6247 137.3117       
226.8922 100.9130       125.2091 26.65796 11.40059 22.49072 8.920066 4.167233 
14.47553 
1 1 1 11  33  29 o 35.29910 6.769289  139.5273       115.7333 811.3472       
240.9324 -61.98726      131.9539 53.74492 11.05661 16.85327 7.813097 36.89165 
13.53858 
1 1 1 11  33  30 o 32.68346 7.770167  214.9187       106.9891 579.8175       
245.5901 129.4459       118.8608 42.01669 12.78329 23.35025 8.836825 18.66644 
15.54033 
1 1 1 11  33  31 o 19.47373 6.355680  -5.768885      106.2072 -53.38717      
228.9013 7.295006       119.8941 21.12518 9.936631 17.82228 7.927299 3.302902 
12.71136 
1 1 1 11  33  32 o 17.98201 6.100552  -73.02571      110.3231 -61.25885      
232.1262 -76.45922      125.3902 20.49226 9.776456 15.47175 7.299853 5.020514 
12.20110 
1 1 1 11  33  33 o 16.49025 5.706023  -119.5669      109.7867 -247.0224      
247.1475 -88.23347      122.5408 18.12667 8.942036 14.85384 7.090472 3.272829 
11.41205 
1 1 1 11  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  34  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  34  5  o 17.03373 5.039247  -11.67714      59.58369 99.19283       
106.3149 -62.44857      71.94436 22.03289 8.351822 12.03458 5.641197 9.998308 
10.07849 
1 1 1 11  34  6  o 49.43967 4.002552  530.1902       81.55335 628.8754       
131.5855 468.6409       103.9188 52.92992 5.921446 45.94943 5.386851 6.980488 
8.005104 
1 1 1 11  34  7  o 30.59888 5.594852  202.7924       71.62630 336.9885       
123.2183 134.3044       88.02629 37.24799 8.105350 23.94977 7.714454 13.29822 
11.18970 
1 1 1 11  34  8  o 29.08037 5.872634  210.0966       72.24958 178.9338       
136.5397 222.2153       85.14675 27.40367 9.593249 30.75707 6.776495 -3.353399 
11.74527 
1 1 1 11  34  9  o 48.77242 6.891870  540.9673       141.1206 0.000000       
0.000000 540.9673       141.1206 ?        ?        48.77242 6.891870 ? ? 
1 1 1 11  34  10 o 46.02534 4.872992  472.9871       92.93064 529.0385       
146.2260 435.0091       120.3643 48.09587 7.241655 43.95482 6.522472 4.141056 
9.745984 
1 1 1 11  34  11 o 52.50669 4.461979  639.8572       92.63680 532.1714       
150.5132 705.5246       117.5358 48.17693 7.441433 56.83646 4.925658 -8.659531 
8.923959 
1 1 1 11  34  12 o 43.66805 5.331084  441.9304       91.18650 445.6957       
151.9069 439.8093       114.0130 42.90441 8.736442 44.43168 6.111988 -1.527275 
10.66217 
1 1 1 11  34  13 o 88.34389 3.942333  1815.899       124.0543 1524.957       
240.8644 1920.938       144.7259 82.04031 6.993045 94.64747 3.642154 -12.60715 
7.884667 
1 1 1 11  34  14 o 35.52391 5.877481  374.5870       86.37964 102.4693       
184.1883 451.3101       97.80174 25.63551 10.57663 45.41231 5.129725 -19.77680 
11.75496 
1 1 1 11  34  15 o 29.99613 5.621982  240.8196       86.46963 -2.249664      
162.4938 336.8414       102.1308 21.14840 9.338439 38.84386 6.262610 -17.69546 
11.24396 
1 1 1 11  34  16 o 34.08346 6.454268  274.7673       84.13478 305.2012       
174.4767 265.5464       96.03830 34.45664 10.83436 33.71028 7.017612 0.7463608 
12.90854 
1 1 1 11  34  17 o 37.55640 6.263914  272.7087       91.63618 573.1360       
181.0179 169.1915       106.2571 48.41546 9.236777 26.69735 8.463357 21.71811 
12.52783 
1 1 1 11  34  18 o 21.88349 6.528008  48.94946       93.89455 73.83888       
177.3343 39.25360       110.6824 24.25068 10.21213 19.51630 8.134609 4.734383 
13.05602 
1 1 1 11  34  19 o 31.33331 7.065732  228.6089       95.18761 292.5227       
188.3139 206.6745       110.3186 33.51917 11.29167 29.14746 8.496852 4.371714 
14.13146 
1 1 1 11  34  20 o 38.50865 6.370421  381.7436       100.7131 295.0800       
171.0765 427.7089       124.5910 33.66572 10.74564 43.35159 6.845464 -9.685871 
12.74084 
1 1 1 11  34  21 o 24.82546 6.578658  135.0663       92.77790 60.70196       
169.8667 166.6814       110.7575 23.27270 9.905774 26.37822 8.659711 -3.105518 
13.15732 
1 1 1 11  34  22 o 69.30493 4.440467  1086.854       122.0564 1079.366       
208.4333 1090.761       150.5740 68.28234 7.270760 70.32753 5.099711 -2.045189 
8.880935 
1 1 1 11  34  23 o 30.49756 6.988147  188.2832       99.66562 399.9592       
183.9375 100.3062       118.5820 38.42799 10.89816 22.56713 8.750257 15.86086 
13.97629 
1 1 1 11  34  24 o 38.05699 7.056442  366.6671       108.8500 433.8662       
191.4147 334.5510       132.3288 39.69245 11.07281 36.42154 8.750226 3.270912 
14.11288 
1 1 1 11  34  25 o 24.86216 6.886803  134.7966       106.8699 5.059281       
207.0886 181.8893       124.7673 22.75381 10.25846 26.97052 9.191097 -4.216713 
13.77361 
1 1 1 11  34  26 o 37.07018 7.287046  295.6668       109.9850 622.3491       
219.4267 186.0517       127.1048 47.07989 11.24054 27.06048 9.276557 20.01941 
14.57409 
1 1 1 11  34  27 o 31.48346 8.157604  230.9009       121.9685 447.1772       
259.4611 169.5514       138.1889 36.92187 13.19417 26.04505 9.596872 10.87682 
16.31521 
1 1 1 11  34  28 o 40.06930 7.098194  471.0328       116.7809 367.1548       
227.7423 508.0903       136.0255 33.98106 12.33960 46.15754 7.019381 -12.17648 
14.19639 
1 1 1 11  34  29 o 21.22209 6.727475  26.83272       104.8079 101.3107       
221.4110 5.324865       118.9826 24.59638 10.87571 17.84780 7.921781 6.748583 
13.45495 
1 1 1 11  34  30 o 22.38632 6.955854  74.65248       106.5644 140.9687       
232.7557 57.06497       119.8651 25.19735 11.14494 19.57528 8.326223 5.622074 
13.91171 
1 1 1 11  34  31 o 25.98452 7.521033  125.2372       108.9656 431.9613       
242.6090 47.72647       121.9590 33.01140 12.58624 18.95764 8.237127 14.05375 
15.04207 
1 1 1 11  34  32 o 23.44516 7.440810  48.14613       113.3078 406.9970       
277.3097 -23.77116      124.1437 30.33085 12.77134 16.55946 7.639080 13.77139 
14.88162 
1 1 1 11  35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  35  5  f 22.69104 5.644499  121.9383       65.38277 88.31470       
120.4327 135.9901       77.85533 21.69856 8.698313 23.68352 7.195890 -1.984957 
11.28900 
1 1 1 11  35  6  o 22.68534 5.650784  70.40099       69.44424 233.4856       
123.8774 -4.336966      83.86028 30.03341 9.067235 15.33728 6.746159 14.69613 
11.30157 
1 1 1 11  35  7  o 27.93446 5.579155  198.1806       83.53170 8.155376       
133.0187 321.9073       107.3344 19.27492 8.487176 36.59399 7.244015 -17.31908 
11.15831 
1 1 1 11  35  8  o 20.32710 5.730979  71.32665       73.28317 11.54218       
132.7201 97.54868       87.89733 19.43290 8.517562 21.22129 7.669918 -1.788399 
11.46196 
1 1 1 11  35  9  o 29.08622 8.984900  213.3681       120.7066 0.000000       
0.000000 213.3681       120.7066 ?        ?        29.08622 8.984900 ? ? 
1 1 1 11  35  10 o 45.59089 4.806226  455.7656       89.71478 586.5891       
148.2249 380.1317       112.7032 50.39474 7.005787 40.78703 6.581656 9.607708 
9.612453 
1 1 1 11  35  11 o 25.00529 6.560128  136.3023       89.67860 164.5938       
144.4675 118.5664       114.3851 26.56694 9.808901 23.44363 8.713585 3.123306 
13.12026 
1 1 1 11  35  12 o 60.24179 4.228722  816.9269       106.1798 800.0322       
158.7081 830.6161       142.8609 59.41597 6.362343 61.06760 5.572159 -1.651627 
8.457444 
1 1 1 11  35  13 o 27.63106 6.484575  164.7638       83.35365 266.7657       
150.2202 119.3880       100.1927 32.13097 10.04313 23.13115 8.205750 8.999821 
12.96915 
1 1 1 11  35  14 o 16.34216 5.250876  -62.88337      83.54775 -192.4659      
134.6673 18.20224       106.5273 14.50065 7.037114 18.18368 7.795244 -3.683030 
10.50175 
1 1 1 11  35  15 o 36.87683 6.407880  306.7916       88.19061 427.1167       
178.1984 267.7611       101.4911 40.31837 10.44543 33.43530 7.425403 6.883080 
12.81576 
1 1 1 11  35  16 o 27.85160 6.786674  146.4877       88.47789 313.8846       
174.2623 88.34677       102.7001 34.33197 10.83380 21.37124 8.177072 12.96073 
13.57335 
1 1 1 11  35  17 o 43.83136 5.771604  346.7781       95.10539 831.6541       
194.9808 195.4027       108.9442 59.48546 7.807322 28.17726 8.502432 31.30820 
11.54321 
1 1 1 11  35  18 f 28.92333 6.833935  165.6768       85.88958 330.0863       
179.9387 117.1645       97.74333 34.96130 11.00455 22.88536 8.106207 12.07595 
13.66787 
1 1 1 11  35  19 o 43.42999 6.239701  437.8275       100.2655 531.5609       
196.2106 404.7002       116.6455 44.78263 10.58943 42.07736 6.602990 2.705273 
12.47940 
1 1 1 11  35  20 o 51.03811 4.885327  556.3508       94.82550 716.0559       
184.7744 499.2507       110.4843 54.81966 8.028353 47.25656 5.568772 7.563103 
9.770654 
1 1 1 11  35  21 o 70.79046 4.364277  1172.976       113.6089 1054.826       
213.4862 1219.654       134.1873 66.82148 7.609828 74.75944 4.275300 -7.937958 
8.728555 
1 1 1 11  35  22 o 39.02884 6.663636  395.8592       103.5025 389.1509       
181.6778 399.0826       125.9385 37.50623 10.89446 40.55144 7.676392 -3.045204 
13.32727 
1 1 1 11  35  23 o 42.56165 6.261632  420.4275       99.18221 568.0880       
191.0474 365.9473       116.0456 46.21399 10.12387 38.90931 7.371528 7.304672 
12.52326 
1 1 1 11  35  24 o 32.19624 7.488777  256.9502       107.8291 386.5342       
204.3900 206.9740       126.9303 36.15652 11.76377 28.23594 9.270423 7.920582 
14.97755 
1 1 1 11  35  25 o 37.13181 7.820632  380.2785       120.0244 441.6909       
244.2381 360.7257       137.8132 37.06914 12.84442 37.19448 8.925801 
-0.1253395     15.64126 
1 1 1 11  35  26 o 31.89171 7.801784  247.0210       111.1853 437.5971       
233.1237 190.9066       126.4997 36.81118 12.56348 26.97224 9.253658 9.838932 
15.60357 
1 1 1 11  35  27 o 18.12107 6.111099  -117.5798      109.6243 0.6806554      
213.0058 -160.1891      127.8570 22.03552 10.10005 14.20663 6.882667 7.828894 
12.22220 
1 1 1 11  35  28 o 38.85875 8.095940  401.8833       117.3979 647.0888       
275.8969 347.6699       129.7283 41.77487 13.66754 35.94262 8.681896 5.832253 
16.19188 
1 1 1 11  35  29 o 26.57386 7.439088  191.9960       108.5451 271.4471       
233.1004 169.9980       122.6547 28.34087 11.80844 24.80685 9.051010 3.534014 
14.87818 
1 1 1 11  35  30 o 23.99690 6.236187  151.9039       89.24290 243.0991       
125.0956 57.38951       127.3517 28.57877 9.195537 19.41504 8.426280 9.163734 
12.47237 
1 1 1 11  35  31 o 28.29282 6.354427  236.8351       92.30972 342.5974       
130.3567 130.4574       130.7354 34.27335 8.959439 22.31229 9.013513 11.96107 
12.70885 
1 1 1 11  36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  36  5  o 25.50728 4.996425  72.09669       60.24126 367.5682       
124.0386 -19.10934      68.91452 37.85647 8.046226 13.15809 5.925816 24.69838 
9.992849 
1 1 1 11  36  6  o 25.56727 5.536545  173.8990       66.76770 105.8503       
121.5736 203.2877       79.89495 22.28074 8.804479 28.85379 6.715242 -6.573055 
11.07309 
1 1 1 11  36  7  o 19.88804 5.810492  61.22863       76.76676 60.55849       
127.9013 61.60598       95.97675 20.62778 8.678980 19.14829 7.728037 1.479492 
11.62098 
1 1 1 11  36  8  o 19.11622 5.732424  42.23277       77.31041 27.49126       
132.3072 49.87557       95.26621 19.66188 8.561858 18.57057 7.624784 1.091309 
11.46485 
1 1 1 11  36  9  o 21.79029 8.173874  103.3951       101.1131 0.000000       
0.000000 103.3951       101.1131 ?        ?        21.79029 8.173874 ? ? 
1 1 1 11  36  10 o 27.05156 6.550677  154.8602       83.27235 286.0138       
157.7114 104.1619       98.05497 32.31166 10.31775 21.79145 8.073997 10.52021 
13.10135 
1 1 1 11  36  11 o 23.50234 6.171872  127.2887       81.88094 56.45632       
150.7858 156.9106       97.51046 21.75572 9.298664 25.24895 8.118058 -3.493229 
12.34374 
1 1 1 11  36  12 o 37.42944 6.513598  350.2556       98.83107 422.0135       
164.9214 310.0466       123.4535 39.84486 9.892101 35.01401 8.476684 4.830853 
13.02720 
1 1 1 11  36  13 o 16.80986 5.549927  -81.47794      96.16206 -89.22264      
142.6789 -75.03188      130.1679 17.04921 7.983263 16.57052 7.711957 0.4786892 
11.09985 
1 1 1 11  36  14 o 62.37330 4.626405  923.2415       115.6737 766.7567       
181.4942 1030.290       150.1123 56.80176 7.610652 67.94484 5.262362 -11.14308 
9.252810 
1 1 1 11  36  15 o 18.25874 5.792041  -19.36933      93.00602 -113.7044      
160.2474 28.54916       114.2105 17.62108 8.295869 18.89639 8.085142 -1.275314 
11.58408 
1 1 1 11  36  16 o 35.27149 6.446230  332.9782       98.56529 243.8314       
152.7748 396.5429       129.0051 30.32869 10.17051 40.21429 7.923144 -9.885597 
12.89246 
1 1 1 11  36  17 o 30.46425 7.025589  233.7463       94.42165 265.9692       
190.7707 223.2913       108.6652 31.17200 11.29621 29.75651 8.356503 1.415489 
14.05118 
1 1 1 11  36  18 o 59.04029 4.912199  817.1636       105.9021 801.4782       
205.1075 822.8651       123.6607 57.10852 8.554639 60.97206 4.830831 -3.863544 
9.824397 
1 1 1 11  36  19 o 17.45027 5.713107  -59.02613      88.44924 -8.248334      
165.3833 -79.36824      104.6774 20.40970 9.186412 14.49085 6.794720 5.918846 
11.42621 
1 1 1 11  36  20 f 37.84993 6.704477  395.9683       102.9937 314.9019       
200.6381 424.9730       120.0126 32.97374 11.62059 42.72612 6.690436 -9.752384 
13.40895 
1 1 1 11  36  21 o 69.82697 4.261345  1099.748       114.5360 1159.863       
209.3665 1074.073       136.8257 70.01057 7.123029 69.64337 4.679604 0.3672028 
8.522690 
1 1 1 11  36  22 o 39.27790 6.518900  334.4723       101.2418 661.7201       
192.5289 209.3949       119.0274 50.23364 9.475520 28.32215 8.955375 21.91149 
13.03780 
1 1 1 11  36  23 o 39.78204 6.360559  477.0145       109.5267 221.3204       
190.0930 604.0825       134.0059 28.54337 11.07650 51.02070 6.256028 -22.47733 
12.72112 
1 1 1 11  36  24 o 42.77477 7.088538  477.3966       113.4234 577.5970       
222.6737 442.2901       131.8038 43.48353 11.86868 42.06601 7.753961 1.417515 
14.17708 
1 1 1 11  36  25 o 25.14156 7.112069  150.0041       103.5652 164.3617       
211.8799 145.4970       118.7129 26.18803 11.10170 24.09509 8.892607 2.092941 
14.22414 
1 1 1 11  36  26 o 21.14229 6.914417  -15.72506      122.3984 123.2581       
247.5140 -60.71376      140.8219 25.23163 11.30167 17.05295 7.969249 8.178684 
13.82883 
1 1 1 11  36  27 o 51.44157 7.054174  740.7608       123.7695 787.2185       
259.7174 727.1099       140.7840 47.63909 12.73580 55.24404 6.070002 -7.604950 
14.10835 
1 1 1 11  36  28 o 31.09595 7.538406  326.3236       119.1133 289.9124       
225.9760 340.3323       140.1664 28.39372 11.71496 33.79818 9.490520 -5.404459 
15.07681 
1 1 1 11  36  29 o 22.95739 7.155066  85.04819       109.9947 286.8279       
242.3466 32.69693       123.4417 27.62815 11.79791 18.28662 8.098707 9.341524 
14.31013 
1 1 1 11  37  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  37  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 11  37  6  f 19.84671 5.239618  87.65450       68.71727 -108.2948      
142.7055 146.8054       78.40602 15.87824 7.596667 23.81517 7.218383 -7.936928 
10.47924 
1 1 1 11  37  7  o 28.95834 6.247017  223.4163       77.78214 255.1479       
146.2982 210.9122       91.83764 29.42000 9.952598 28.49668 7.552927 0.9233170 
12.49403 
1 1 1 11  37  8  o 21.61590 5.800098  97.21754       83.61948 -60.39211      
143.8427 177.6673       102.7682 17.28891 8.069707 25.94288 8.333331 -8.653973 
11.60020 
1 1 1 11  37  9  o 39.67574 9.121353  423.9749       148.8506 0.000000       
0.000000 423.9749       148.8506 ?        ?        39.67574 9.121353 ? ? 
1 1 1 11  37  10 o 26.90801 6.381299  190.6309       81.01820 180.2788       
156.7074 194.4074       94.64926 26.27075 10.08657 27.54527 7.819525 -1.274519 
12.76260 
1 1 1 11  37  11 o 26.05186 6.540489  175.2629       87.04113 167.5370       
154.9201 178.8267       105.2184 25.80066 10.00203 26.30305 8.430387 
-0.5023956     13.08098 
1 1 1 11  37  12 o 45.01463 5.613947  502.4019       94.86765 504.0738       
169.7921 501.6431       114.3878 43.29036 9.596039 46.73891 5.829379 -3.448551 
11.22789 
1 1 1 11  37  13 o 51.55129 5.226535  655.8744       106.3407 573.0382       
164.4918 715.3528       139.3844 47.34949 8.591110 55.75309 5.954787 -8.403595 
10.45307 
1 1 1 11  37  14 o 40.25066 6.593658  417.9096       108.3109 524.5734       
170.4429 345.6618       140.2759 44.49030 9.414179 36.01102 9.234638 8.479279 
13.18732 
1 1 1 11  37  15 o 28.33941 7.162817  210.2936       113.1445 118.3998       
161.7546 298.3282       158.3216 24.11353 9.923872 32.56530 10.33153 -8.451767 
14.32563 
1 1 1 11  37  16 o 34.24310 6.864578  330.6296       107.8759 232.3252       
164.9861 404.0411       142.5749 29.07177 10.50807 39.41443 8.835734 -10.34266 
13.72916 
1 1 1 11  37  17 o 26.23928 6.859670  158.7855       98.16438 253.9119       
162.8036 104.4447       123.0485 30.10887 10.48153 22.36970 8.852000 7.739178 
13.71934 
1 1 1 11  37  18 o 28.60316 6.690617  226.7337       98.91776 131.3342       
165.6963 279.5594       123.2998 24.63539 10.07540 32.57093 8.805895 -7.935539 
13.38123 
1 1 1 11  37  19 o 25.37753 6.714486  162.4563       94.86304 125.6814       
171.2905 178.7254       113.9304 24.49342 10.15866 26.26164 8.782873 -1.768225 
13.42897 
1 1 1 11  37  20 o 48.36312 6.228681  577.1003       104.6405 657.0586       
216.4893 552.7248       119.5310 47.72507 11.01938 49.00116 5.810253 -1.276089 
12.45736 
1 1 1 11  37  21 o 47.66401 5.992325  558.2808       101.4631 631.9457       
202.4739 533.5791       117.2470 47.25359 10.48266 48.07444 5.809095 
-0.8208466     11.98465 
1 1 1 11  37  22 o 42.36015 6.866644  425.5487       109.1946 708.1651       
216.0334 328.5686       126.5504 49.58202 10.68327 35.13827 8.629654 14.44375 
13.73329 
1 1 1 11  37  23 o 61.66929 5.546482  922.8137       126.1225 1034.635       
246.7923 883.2859       146.7303 61.62880 9.538255 61.70978 5.663527 
-0.8098602E-01 11.09296 
1 1 1 11  37  24 o 46.23764 7.293651  665.2092       123.0738 559.7529       
258.4009 696.1515       139.9698 38.39698 13.22052 54.07830 6.164992 -15.68132 
14.58730 
1 1 1 11  37  25 o 31.75368 7.841055  319.0593       117.8942 387.1111       
250.9682 299.7899       133.5464 31.50285 12.58638 32.00452 9.354762 
-0.5016689     15.68211 
1 1 1 11  37  26 o 23.31906 7.055261  130.7396       112.2907 161.2183       
225.8621 120.7326       129.4184 24.59341 10.91532 22.04472 8.942180 2.548691 
14.11052 
1 1 1 11  37  27 o 19.72462 6.337559  38.93208       108.1906 -55.73277      
221.4167 68.62305       124.0019 19.83733 9.484037 19.61191 8.409023 0.2254257 
12.67512 
1 1 1 11  38  7  o 28.05038 6.173460  233.0276       78.61734 212.3774       
150.6768 240.7522       92.15582 26.02743 9.920267 30.07333 7.350834 -4.045895 
12.34692 
1 1 1 11  38  8  o 19.39378 5.784247  71.79828       78.13959 31.98165       
145.5138 87.93211       92.62766 19.20382 8.631764 19.58375 7.702125 
-0.3799286     11.56849 
1 1 1 11  38  9  o 41.46679 8.331047  467.7493       139.9329 0.000000       
0.000000 467.7493       139.9329 ?        ?        41.46679 8.331047 ? ? 
1 1 1 11  38  10 o 26.28230 7.121947  188.1337       98.46076 267.0386       
201.5983 163.4161       112.8336 28.21486 11.27748 24.34975 8.700972 3.865107 
14.24389 
1 1 1 11  38  11 o 18.83736 5.930849  12.39255       80.17918 111.0408       
165.9086 -17.66773      91.58420 22.75235 9.740162 14.92238 6.769721 7.829972 
11.86170 
1 1 1 11  38  12 o 36.00545 6.151374  368.2738       87.63034 315.7631       
169.8528 387.3205       102.2958 31.60035 10.72391 40.41055 6.029537 -8.810198 
12.30275 
1 1 1 11  38  13 o 19.82342 6.129299  48.29969       90.94843 30.80926       
170.2015 55.28982       107.5983 20.69851 9.317678 18.94833 7.965807 1.750185 
12.25860 
1 1 1 11  38  14 o 24.88455 6.986362  159.0168       105.5115 175.0044       
180.6298 150.7362       129.9949 25.63896 10.50836 24.13014 9.209307 1.508816 
13.97272 
1 1 1 11  38  15 o 38.72509 6.551264  438.5939       113.9303 263.2787       
171.4110 577.3368       152.4876 29.39905 10.70238 48.05114 7.558784 -18.65210 
13.10253 
1 1 1 11  38  16 o 25.48880 6.927437  144.7709       118.7416 -25.96321      
170.7138 304.7906       165.2705 19.38173 8.947503 31.59587 10.57827 -12.21414 
13.85487 
1 1 1 11  38  17 o 24.07255 6.944542  138.5459       114.0779 68.33609       
177.8334 187.6403       148.7066 22.11878 9.767799 26.02632 9.874044 -3.907536 
13.88908 
1 1 1 11  38  18 o 15.02559 5.166133  -168.0321      102.3159 -257.6668      
170.9502 -118.0015      127.7172 15.17380 7.473746 14.87739 7.134342 0.2964144 
10.33227 
1 1 1 11  38  19 o 30.75711 6.820007  232.8022       98.62346 452.7690       
173.3792 127.5819       119.9136 38.79943 10.42081 22.71479 8.800953 16.08464 
13.64001 
1 1 1 11  38  20 o 22.86106 6.318541  113.3146       99.16198 -27.56343      
151.4371 219.0592       131.2019 18.22261 8.418045 27.49952 9.425093 -9.276901 
12.63708 
1 1 1 11  38  21 f 30.94447 6.890234  281.7516       94.15606 302.4059       
185.6323 274.5972       109.2529 30.07529 11.11596 31.81365 8.144732 -1.738359 
13.78047 
1 1 1 11  38  22 o 26.90305 6.013817  224.5190       107.3261 -242.6791      
232.5622 350.9478       120.9795 17.86996 8.801842 35.93615 8.197047 -18.06618 
12.02763 
1 1 1 11  38  23 o 27.03347 6.437304  242.1535       103.0964 -39.54609      
239.9330 305.9417       114.1739 20.77416 9.917733 33.29277 8.209393 -12.51861 
12.87461 
1 1 1 11  38  24 o 20.22454 6.507483  10.94248       102.9982 180.9072       
208.0592 -44.23168      118.5429 24.76549 10.75968 15.68359 7.322480 9.081898 
13.01497 
1 1 1 11  38  25 o 34.59113 7.294080  395.8896       111.5344 383.4626       
220.4695 400.1639       129.3009 31.21576 11.97007 37.96651 8.338581 -6.750759 
14.58816 
1 1 1 11  39  12 o 17.54956 5.604193  14.47332       84.88700 -65.05709      
164.2741 43.44579       99.15057 17.53239 8.306500 17.56673 7.525290 
-0.3433800E-01 11.20839 
1 1 1 11  39  13 o 46.53149 5.932192  584.7510       98.58567 601.6859       
190.1259 578.5233       115.2967 43.73036 10.47734 49.33261 5.566778 -5.602257 
11.86438 
1 1 1 11  39  14 o 17.78094 5.839158  -13.89704      92.97481 10.68775       
182.0077 -22.57748      108.1502 19.88581 9.202511 15.67607 7.190051 4.209737 
11.67832 
1 1 1 11  39  15 o 20.99372 6.415871  88.84398       99.59424 52.47801       
189.5858 102.7049       117.0456 21.10528 9.619595 20.88217 8.492172 0.2231121 
12.83174 
1 1 1 11  39  16 o 26.73133 7.246943  218.2219       110.9796 296.1028       
181.5107 171.7248       140.2489 29.17083 10.94974 24.29182 9.496101 4.879009 
14.49389 
1 1 1 11  39  17 o 24.46182 7.084539  139.1798       117.6286 313.0568       
189.4927 30.17485       150.0356 29.63924 11.17505 19.28440 8.710977 10.35483 
14.16908 
1 1 1 11  39  18 o 19.81351 6.409153  22.97038       118.4675 49.26003       
184.0802 4.383707       154.7802 20.86555 9.501881 18.76148 8.603677 2.104067 
12.81831 
1 1 1 11  39  19 f 23.88984 7.117964  156.3920       118.8952 193.1177       
193.8907 134.2601       150.5152 25.04819 10.61930 22.73150 9.481143 2.316692 
14.23593 
1 1 1 11  39  20 o 25.38388 7.094672  187.4770       105.3656 255.2730       
190.1353 157.4300       126.5790 27.21115 10.92053 23.55660 9.059771 3.654549 
14.18934 
1 1 1 12  -29 0  o 52.86525 6.260170  774.3501       133.7241 743.5912       
174.7823 817.7738       207.6708 53.03963 7.849066 52.69087 9.754539 0.3487663 
12.52034 
1 1 1 12  -29 1  o 31.15962 7.366524  335.8972       117.9440 370.3502       
144.6203 267.4715       203.8099 34.88471 9.584167 27.43454 11.18957 7.450169 
14.73305 
1 1 1 12  -28 0  o 56.78271 4.655674  760.7154       108.1529 720.3349       
137.1638 827.0836       175.8464 55.52974 5.883489 58.03569 7.217045 -2.505959 
9.311347 
1 1 1 12  -28 1  o 19.36224 6.194873  14.04341       105.8529 31.80852       
131.9502 -18.03111      177.2990 19.08161 8.421849 19.64287 9.087258 
-0.5612640     12.38975 
1 1 1 12  -28 2  f 31.57122 7.113611  295.1175       108.0254 203.8442       
140.5442 426.8858       168.8678 26.20308 9.674748 36.93936 10.43135 -10.73628 
14.22722 
1 1 1 12  -28 3  o 18.30659 5.795418  -13.85777      96.80783 115.4480       
141.0941 -128.8775      133.0718 21.93946 9.167056 14.67373 7.093134 7.265733 
11.59084 
1 1 1 12  -27 0  o 33.75247 6.464659  295.9208       97.77774 192.9406       
132.2967 419.8881       145.1529 27.21467 9.451024 40.29027 8.823006 -13.07560 
12.92932 
1 1 1 12  -27 1  o 90.29291 3.970488  1873.293       148.6679 1975.527       
199.6302 1745.993       222.7633 93.74345 5.072316 86.84237 6.109886 6.901077 
7.940976 
1 1 1 12  -27 2  o 38.66183 5.959740  378.2854       97.47589 246.4823       
130.1251 546.8138       147.1414 29.97057 9.343172 47.35308 7.401293 -17.38251 
11.91948 
1 1 1 12  -27 3  o 48.38980 5.501417  591.4488       107.8674 602.1718       
144.0331 577.7535       162.7756 49.89719 6.875546 46.88240 8.590065 3.014793 
11.00283 
1 1 1 12  -27 4  o 42.18905 6.399555  501.1385       113.6638 664.5034       
160.6525 337.3972       160.8374 51.34053 7.453294 33.03757 10.40508 18.30296 
12.79911 
1 1 1 12  -27 5  o 23.21234 6.332687  130.8280       99.45702 -14.75542      
153.9078 235.2117       130.3230 18.40247 8.495523 28.02221 9.393497 -9.619740 
12.66537 
1 1 1 12  -27 6  o 32.32294 6.975070  325.0315       103.6340 277.9311       
140.5066 381.2249       153.4711 29.75196 9.753607 34.89393 9.973643 -5.141972 
13.95014 
1 1 1 12  -26 0  o 16.96976 5.441577  -34.80095      83.86011 -21.35787      
111.0241 -52.65921      127.9639 16.85415 7.558732 17.08538 7.829982 
-0.2312355     10.88315 
1 1 1 12  -26 1  o 50.30673 5.442595  590.1547       108.0760 404.5865       
141.7158 848.1022       167.0830 40.00279 8.681840 60.61066 6.566051 -20.60787 
10.88519 
1 1 1 12  -26 2  o 14.17945 4.905418  -211.0230      96.88496 -205.2679      
129.4842 -218.3435      146.0363 13.71021 6.709107 14.64870 7.158238 
-0.9384995     9.810836 
1 1 1 12  -26 3  o 35.86226 6.520891  352.3415       100.7690 412.0049       
131.6792 268.0207       156.5418 40.62222 8.006139 31.10230 10.29514 9.519911 
13.04178 
1 1 1 12  -26 4  o 33.21744 6.954808  302.0073       102.9561 275.5286       
135.8384 337.7522       157.8271 31.80464 9.473397 34.63025 10.18490 -2.825605 
13.90962 
1 1 1 12  -26 5  o 17.05626 5.651253  -134.5479      107.0776 35.58974       
153.1196 -297.3800      149.7962 20.56360 9.074594 13.54893 6.737830 7.014667 
11.30251 
1 1 1 12  -26 6  o 27.40834 6.515098  165.7859       102.8890 3.356088       
135.4643 387.2455       158.1755 18.45053 8.308794 36.36615 10.03743 -17.91562 
13.03020 
1 1 1 12  -26 7  o 34.84920 6.706479  384.9175       109.2675 478.6217       
140.2183 240.0325       174.3560 42.25292 8.196957 27.44548 10.61684 14.80744 
13.41296 
1 1 1 12  -26 8  f 21.59988 6.594471  99.53773       106.4424 98.35657       
132.6614 101.6724       178.3435 21.05032 8.847045 22.14945 9.781513 -1.099136 
13.18894 
1 1 1 12  -25 0  o 43.41256 5.379301  445.9265       94.83740 478.5155       
129.2222 407.8812       139.6214 45.87838 6.708880 40.94674 8.410614 4.931641 
10.75860 
1 1 1 12  -25 1  o 35.25127 6.515762  312.7737       96.26790 305.8860       
124.3288 323.0855       152.1259 35.16520 8.502548 35.33734 9.875591 
-0.1721420     13.03152 
1 1 1 12  -25 2  o 30.61769 5.394910  202.5918       99.52168 452.1100       
133.1952 -112.7784      149.7435 44.12442 7.190031 17.11097 8.045102 27.01344 
10.78982 
1 1 1 12  -25 3  o 55.19124 4.935052  718.0126       111.2738 872.8385       
155.3554 554.9088       159.4545 62.12400 5.956459 48.25848 7.870170 13.86552 
9.870105 
1 1 1 12  -25 4  o 62.98174 4.473061  919.3820       115.9839 973.0327       
153.4028 847.7837       177.2136 65.76255 5.556173 60.20093 7.011565 5.561619 
8.946122 
1 1 1 12  -25 5  o 19.27615 6.036569  -10.07061      98.44888 -78.06504      
133.7225 70.39968       145.4741 16.62510 7.767931 21.92719 9.242290 -5.302099 
12.07314 
1 1 1 12  -25 6  f 28.25264 6.768712  220.7599       99.45273 262.3876       
119.0480 124.5962       180.9408 31.67709 8.692414 24.82819 10.37804 6.848902 
13.53742 
1 1 1 12  -25 7  f 62.58431 4.975205  951.8139       117.7518 972.5571       
141.2173 904.4843       213.3127 65.58063 5.129008 59.58799 8.526660 5.992638 
9.950410 
1 1 1 12  -25 8  o 26.55491 6.714962  120.3251       98.47272 1.740075       
118.0358 391.8120       178.5967 17.50814 7.824337 35.60168 10.91525 -18.09354 
13.42992 
1 1 1 12  -25 9  o 32.49860 6.956806  283.9236       106.3768 158.8403       
132.3537 512.1667       178.7868 24.06125 9.261990 40.93596 10.38288 -16.87471 
13.91361 
1 1 1 12  -25 10 o 20.39167 6.281244  70.78642       103.2856 116.3245       
127.7732 -15.07236      175.4465 21.69951 8.856631 19.08384 8.909332 2.615671 
12.56249 
1 1 1 12  -24 0  o 56.63587 4.297952  722.4412       99.82406 780.5716       
131.7841 644.1860       152.9036 59.73359 5.254912 53.53816 6.802607 6.195423 
8.595903 
1 1 1 12  -24 1  o 26.70716 6.686574  162.4935       92.82695 166.0122       
119.7997 157.2068       146.8447 26.67716 9.006267 26.73716 9.885759 
-0.5999756E-01 13.37315 
1 1 1 12  -24 2  o 31.85368 6.492829  258.4319       93.12595 296.2885       
118.7001 197.8277       150.1868 34.99931 8.210984 28.70805 10.06017 6.291262 
12.98566 
1 1 1 12  -24 3  o 47.56507 5.909138  601.2998       107.6577 853.4207       
144.1394 283.1932       161.9066 62.05089 5.532936 33.07925 10.44310 28.97164 
11.81828 
1 1 1 12  -24 4  o 46.07862 5.212996  496.0975       98.24126 440.0020       
135.5007 558.2621       142.6425 42.82376 7.827575 49.33348 6.886973 -6.509712 
10.42599 
1 1 1 12  -24 5  o 84.46458 4.149628  1628.601       143.8916 1754.678       
190.3377 1460.443       219.8181 89.03898 5.091734 79.89019 6.553769 9.148788 
8.299255 
1 1 1 12  -24 6  o 44.94310 5.897262  483.6287       106.8125 274.4540       
140.6887 768.2589       164.1138 32.30934 9.644566 57.57686 6.789194 -25.26752 
11.79452 
1 1 1 12  -24 7  o 24.27827 6.707274  125.4050       99.07799 92.14964       
133.2024 166.5898       148.2349 22.37480 9.073653 26.18174 9.880229 -3.806936 
13.41455 
1 1 1 12  -24 8  o 22.58905 6.594988  74.26818       94.17276 33.38221       
112.4602 170.2242       172.2852 18.76249 8.025240 26.41561 10.46762 -7.653118 
13.18998 
1 1 1 12  -24 9  o 16.00452 5.375508  -103.5686      96.44334 -45.82177      
115.5330 -236.3043      175.1604 16.05308 7.391622 15.95596 7.806937 
0.9712601E-01  10.75102 
1 1 1 12  -24 10 o 27.25043 7.133493  197.9426       102.5991 161.3210       
124.5936 275.0893       180.8365 24.70740 9.111740 29.79345 10.97830 -5.086050 
14.26699 
1 1 1 12  -24 11 o 21.77454 6.592280  97.37124       103.8737 94.94546       
128.2197 102.0033       177.1802 21.06559 8.766278 22.48350 9.848097 -1.417913 
13.18456 
1 1 1 12  -24 12 o 25.07266 7.086465  181.5852       110.4012 134.0889       
140.4991 258.2456       178.4962 22.60172 9.266385 27.54360 10.72409 -4.941875 
14.17293 
1 1 1 12  -23 0  o 30.13622 6.203767  201.9490       88.76007 102.7860       
120.1016 321.2945       131.7580 23.47448 8.883126 36.79795 8.662388 -13.32347 
12.40753 
1 1 1 12  -23 1  o 57.32578 4.084949  720.9590       96.99841 726.4439       
127.6521 713.4650       149.2098 57.78881 5.261449 56.86276 6.250152 0.9260483 
8.169899 
1 1 1 12  -23 2  o 28.00756 6.604086  184.2633       92.32362 216.1825       
119.0537 136.1108       146.2266 30.06289 8.847134 25.95224 9.807345 4.110655 
13.20817 
1 1 1 12  -23 3  o 54.54760 4.742470  676.8848       106.5760 749.6490       
143.6468 587.7847       158.9556 58.26326 5.872490 50.83195 7.448353 7.431313 
9.484941 
1 1 1 12  -23 4  o 17.64089 5.664279  -46.90889      89.78448 -53.13809      
116.4411 -37.77433      141.0048 16.52902 7.535150 18.75276 8.459182 -2.223742 
11.32856 
1 1 1 12  -23 5  o 33.08291 6.732380  276.6276       98.88371 299.6389       
134.2339 249.3237       146.2189 34.70256 9.101005 31.46325 9.923281 3.239307 
13.46476 
1 1 1 12  -23 6  o 40.98188 5.931965  393.2699       101.2353 226.9631       
133.2432 620.3680       155.7030 30.05326 9.471592 51.91049 7.144352 -21.85723 
11.86393 
1 1 1 12  -23 7  f 58.41962 4.515697  786.0179       108.9556 892.1310       
149.7216 666.5612       158.8567 63.15850 5.646429 53.68075 7.048682 9.477757 
9.031394 
1 1 1 12  -23 8  o 65.86275 4.551089  989.1932       122.6459 970.0154       
156.5863 1019.632       197.2720 65.65677 5.680613 66.06873 7.111981 
-0.4119568     9.102178 
1 1 1 12  -23 9  o 21.03678 6.319045  53.70865       97.65514 77.36243       
130.7819 23.89983       146.8148 21.66211 8.920566 20.41145 8.952365 1.250662 
12.63809 
1 1 1 12  -23 10 o 26.91195 6.871701  190.0340       99.14248 210.4447       
120.4570 147.1724       174.5574 28.30238 9.015102 25.52152 10.37348 2.780853 
13.74340 
1 1 1 12  -23 11 o 33.81780 7.048892  319.9481       102.8738 312.3404       
124.0297 336.7203       184.1595 34.37432 8.605733 33.26128 11.16642 1.113045 
14.09778 
1 1 1 12  -23 12 o 24.10059 6.099679  116.5734       106.1818 288.2968       
130.6961 -216.8426      182.1130 31.89506 9.232461 16.30611 7.974083 15.58895 
12.19936 
1 1 1 12  -23 13 o 44.42152 6.942699  541.9408       129.2817 349.6735       
161.8794 880.5192       214.8168 32.89631 10.44803 55.94672 9.145653 -23.05042 
13.88540 
1 1 1 12  -22 0  o 55.11472 4.354380  680.9398       97.10749 846.2710       
133.8833 497.4111       141.0590 62.70286 5.085809 47.52658 7.069444 15.17628 
8.708759 
1 1 1 12  -22 1  o 48.05956 4.769295  527.3959       90.69794 601.7108       
120.7836 431.3150       137.3375 52.72142 5.456850 43.39769 7.823522 9.323730 
9.538590 
1 1 1 12  -22 2  o 29.83646 6.187246  208.3657       88.00732 290.2605       
119.5554 111.4995       130.0251 35.22630 8.225191 24.44663 9.245230 10.77967 
12.37449 
1 1 1 12  -22 3  o 39.72533 5.442194  375.1728       87.16000 468.4634       
118.1542 263.8016       129.0971 46.20752 6.090566 33.24315 9.020803 12.96437 
10.88439 
1 1 1 12  -22 4  o 27.70945 6.190629  165.1822       83.79910 92.19776       
111.1154 261.4416       127.6088 22.43027 8.527792 32.98863 8.976209 -10.55836 
12.38126 
1 1 1 12  -22 5  o 85.19923 3.896413  1572.156       134.8337 1519.659       
169.3066 1663.183       222.9442 83.69717 4.818192 86.70128 6.124798 -3.004105 
7.792826 
1 1 1 12  -22 6  o 29.53028 6.318175  210.6891       88.08311 271.6922       
121.7608 143.7162       127.5795 33.45676 8.617824 25.60381 9.241779 7.852957 
12.63635 
1 1 1 12  -22 7  o 24.20594 6.182623  108.8419       92.18819 214.4095       
121.6585 -33.52015      141.2779 29.57947 8.996797 18.83242 8.482746 10.74705 
12.36525 
1 1 1 12  -22 8  o 46.53729 5.536184  518.8567       103.4467 568.4323       
138.9042 457.1193       155.0086 50.02918 6.613223 43.04540 8.880463 6.983784 
11.07237 
1 1 1 12  -22 9  o 38.60535 6.145460  363.6190       101.8472 228.0077       
138.0529 525.5705       150.8656 29.89097 9.664281 47.31974 7.593972 -17.42878 
12.29092 
1 1 1 12  -22 10 o 23.09192 6.614712  97.38607       100.0171 116.6988       
136.1997 74.78222       147.3483 23.77094 9.342561 22.41290 9.366653 1.358046 
13.22942 
1 1 1 12  -22 11 o 32.20383 7.307108  282.1000       109.9855 270.2806       
139.7914 301.3048       178.1920 31.77561 9.639853 32.63206 10.98401 
-0.8564587     14.61422 
1 1 1 12  -22 12 o 23.90719 6.573205  126.4083       101.9929 193.1589       
125.6882 -2.299904      174.5300 27.13062 9.224954 20.68375 9.366340 6.446873 
13.14641 
1 1 1 12  -22 13 o 31.73820 7.443540  287.8144       113.0714 243.6197       
143.3255 360.6558       184.0041 29.28991 9.850962 34.18650 11.16171 -4.896593 
14.88708 
1 1 1 12  -22 14 o 22.00871 6.699658  93.75939       113.0815 126.3495       
146.9703 46.47120       177.0365 22.92830 9.451737 21.08912 9.497701 1.839186 
13.39932 
1 1 1 12  -22 15 o 20.86366 6.559086  65.20675       111.0698 36.27929       
139.1989 115.8990       184.2685 19.05824 8.507500 22.66907 9.985434 -3.610836 
13.11817 
1 1 1 12  -21 0  o 18.94984 5.891126  -37.17189      87.23022 -76.07114      
108.0983 35.44309       147.6935 15.51267 7.145584 22.38701 9.368142 -6.874339 
11.78225 
1 1 1 12  -21 1  o 21.14695 5.969120  36.36111       82.47012 -25.33495      
108.8096 119.6476       126.4229 17.25503 7.627578 25.03886 9.183770 -7.783823 
11.93824 
1 1 1 12  -21 2  o 65.29089 4.037435  930.6077       108.3925 977.2620       
142.0730 865.6304       167.6668 67.48030 5.014824 63.10148 6.328906 4.378819 
8.074869 
1 1 1 12  -21 3  o 35.38949 5.881850  280.4575       87.09892 190.7908       
114.8939 401.6162       133.5545 28.85557 8.736415 41.92340 7.877798 -13.06784 
11.76370 
1 1 1 12  -21 4  o 29.77137 6.624277  205.0941       91.48429 212.6020       
117.2202 193.3954       146.3232 30.20387 8.743743 29.33887 9.953447 0.8649960 
13.24855 
1 1 1 12  -21 5  o 48.61202 5.323827  515.4584       104.3149 410.5035       
134.4464 674.2073       165.3495 42.16576 7.886956 55.05828 7.153215 -12.89252 
10.64765 
1 1 1 12  -21 6  o 53.04827 4.755853  613.1132       104.5594 495.1995       
138.6178 768.7611       159.2607 47.11648 7.007569 58.98006 6.431681 -11.86358 
9.511705 
1 1 1 12  -21 7  o 18.61493 5.888724  -39.23093      94.61380 -79.00555      
127.0319 10.32180       141.7894 16.70637 7.714684 20.52349 8.898985 -3.817120 
11.77745 
1 1 1 12  -21 8  o 56.52806 4.580465  717.0291       107.9957 741.6395       
146.5021 687.7396       159.8239 57.82298 6.034822 55.23314 6.892283 2.589848 
9.160931 
1 1 1 12  -21 9  o 51.82088 4.957326  611.4274       107.5380 556.8755       
150.9701 667.6159       153.2182 49.30793 7.292818 54.33384 6.716781 -5.025909 
9.914653 
1 1 1 12  -21 10 o 22.79380 6.553872  84.11377       98.39666 88.34733       
136.3027 79.50648       142.1919 22.85308 9.215206 22.73451 9.321636 0.1185741 
13.10774 
1 1 1 12  -21 11 o 34.67663 6.561912  295.5359       102.4797 173.5271       
136.1001 455.2821       155.7321 26.79259 9.557819 42.56068 8.993488 -15.76809 
13.12382 
1 1 1 12  -21 12 o 18.86270 5.930242  -3.597548      92.79342 -8.883943      
119.4343 4.453346       147.3911 17.80912 7.917036 19.91628 8.831287 -2.107164 
11.86048 
1 1 1 12  -21 13 o 25.29081 7.030206  148.0383       108.1531 159.6496       
136.8201 128.6984       176.5787 25.54710 9.523006 25.03452 10.34445 0.5125732 
14.06041 
1 1 1 12  -21 14 o 49.94608 6.074976  633.8793       117.4564 626.0438       
145.4682 648.5566       199.0942 51.36193 6.746025 48.53022 10.10507 2.831715 
12.14995 
1 1 1 12  -21 15 o 55.98322 7.856671  912.5916       176.1403 1106.861       
277.0555 780.8025       228.1940 60.73957 11.28690 51.22688 10.93229 9.512695 
15.71334 
1 1 1 12  -21 16 o 22.84706 7.128682  108.2873       133.3561 152.3933       
198.2808 71.85798       180.2008 24.14851 10.49789 21.54561 9.647106 2.602898 
14.25736 
1 1 1 12  -20 0  o 43.54379 5.873868  443.1310       99.27451 493.3929       
124.3585 354.8267       164.8341 47.91352 6.182135 39.17406 9.989518 8.739460 
11.74774 
1 1 1 12  -20 1  o 78.38890 3.810050  1330.013       119.1204 1367.115       
148.3282 1262.618       199.9124 80.19036 4.405779 76.58745 6.217319 3.602913 
7.620101 
1 1 1 12  -20 2  o 44.49751 5.049604  443.4990       89.56172 474.9557       
117.1634 399.2779       138.9153 46.98753 5.939232 42.00749 8.168202 4.980042 
10.09921 
1 1 1 12  -20 3  o 91.72168 3.621809  1757.575       135.9390 1619.172       
171.2485 1993.371       223.5236 87.10485 4.682798 96.33851 5.526428 -9.233658 
7.243618 
1 1 1 12  -20 4  o 33.02560 6.375619  237.1889       90.18073 176.9897       
114.3905 336.0404       146.5838 28.08300 8.761168 37.96820 9.264772 -9.885206 
12.75124 
1 1 1 12  -20 5  o 67.44303 4.035939  992.3051       111.5237 1029.262       
144.6070 938.0609       175.1950 69.24201 4.974400 65.64405 6.356929 3.597961 
8.071877 
1 1 1 12  -20 6  o 66.36397 4.181975  969.6508       114.6973 1055.232       
154.1806 863.5988       171.6322 69.92654 5.251808 62.80139 6.509546 7.125145 
8.363951 
1 1 1 12  -20 7  o 78.73710 3.878466  1344.842       127.9088 1471.862       
183.6583 1225.201       178.2440 82.42792 5.307100 75.04628 5.657268 7.381638 
7.756932 
1 1 1 12  -20 8  f 56.01931 4.601861  676.2036       106.8039 580.0876       
138.2936 818.2604       168.1261 51.24817 6.427540 60.79045 6.587504 -9.542282 
9.203721 
1 1 1 12  -20 9  o 31.24463 6.449356  240.7242       93.80802 304.1171       
123.5316 154.3705       144.1777 35.70638 8.376142 26.78288 9.809028 8.923506 
12.89871 
1 1 1 12  -20 10 o 39.09671 6.016397  378.1927       97.26304 453.6571       
128.5612 277.1864       148.7350 44.87037 6.824508 33.32304 9.910308 11.54733 
12.03279 
1 1 1 12  -20 11 o 51.65387 5.042491  600.4163       108.3292 503.8413       
144.1626 725.6790       164.1840 46.83611 7.331497 56.47163 6.925027 -9.635521 
10.08498 
1 1 1 12  -20 12 o 29.55616 6.891345  209.9929       101.4261 139.0612       
135.9190 299.1241       152.3614 25.16630 9.469629 33.94601 10.01442 -8.779707 
13.78269 
1 1 1 12  -20 13 o 44.37671 7.032535  514.5862       125.7499 511.6299       
200.0385 516.5178       161.6935 43.26807 10.98757 45.48535 8.780628 -2.217285 
14.06507 
1 1 1 12  -20 14 o 55.99163 6.618073  796.7616       151.7151 896.5663       
223.1067 710.9124       206.9213 59.91595 8.869340 52.06731 9.824986 7.848640 
13.23615 
1 1 1 12  -20 15 o 37.52982 8.442003  426.3796       158.8502 606.5432       
230.8770 264.4269       218.8977 44.80725 12.02108 30.25239 11.85594 14.55486 
16.88401 
1 1 1 12  -20 16 o 20.23659 6.602830  -29.08941      132.3394 -83.20734      
195.2779 16.87653       179.9702 19.43490 9.152147 21.03828 9.519856 -1.603378 
13.20566 
1 1 1 12  -20 17 o 18.77341 6.240800  -52.76905      126.6476 -41.29112      
175.9924 -65.09698      182.3925 18.88103 8.845546 18.66580 8.806058 0.2152328 
12.48160 
1 1 1 12  -20 18 o 23.42529 7.140811  144.6792       127.7751 155.1087       
177.7924 133.5381       183.7578 23.73142 10.11863 23.11917 10.07860 0.6122456 
14.28162 
1 1 1 12  -19 0  o 67.62858 4.095994  1000.140       111.4956 1072.608       
142.2573 884.7322       179.5235 71.06671 4.767925 64.19044 6.661498 6.876266 
8.191988 
1 1 1 12  -19 1  o 107.5810 3.881227  2405.596       168.2038 2255.286       
207.4605 2693.965       287.3521 103.0085 4.797154 112.1535 6.102706 -9.145088 
7.762455 
1 1 1 12  -19 2  o 103.9900 3.699048  2329.963       154.9721 2397.457       
195.2984 2215.208       254.6572 106.2862 4.376659 101.6937 5.964618 4.592491 
7.398096 
1 1 1 12  -19 3  o 51.66159 4.610342  561.0129       98.08421 508.2296       
124.9166 645.8777       158.3930 48.64847 6.116066 54.67471 6.900342 -6.026237 
9.220683 
1 1 1 12  -19 4  o 46.12481 5.105537  462.2130       98.45063 464.3765       
133.5144 459.6349       145.7491 46.31678 6.866113 45.93284 7.557945 0.3839417 
10.21107 
1 1 1 12  -19 5  o 34.74897 6.452680  278.0312       94.36380 278.7470       
122.5583 276.9890       147.8815 34.88471 8.446220 34.61323 9.757545 0.2714806 
12.90536 
1 1 1 12  -19 6  o 69.94957 3.778299  1053.695       110.5650 1101.742       
152.5119 1000.471       160.5204 71.71442 5.065454 68.18471 5.607437 3.529716 
7.556598 
1 1 1 12  -19 7  o 62.95706 4.244941  869.1495       110.7243 961.1727       
150.8890 761.7806       162.9853 66.80561 5.379795 59.10852 6.567792 7.697094 
8.489882 
1 1 1 12  -19 8  o 47.28586 5.664275  532.4041       104.3645 708.5605       
143.4410 334.2610       152.1294 57.07668 5.985984 37.49504 9.617901 19.58165 
11.32855 
1 1 1 12  -19 9  o 79.51146 3.671368  1365.742       122.1206 1529.117       
176.4190 1215.437       169.2153 84.15912 4.993042 74.86379 5.383801 9.295326 
7.342736 
1 1 1 12  -19 10 o 28.27320 6.725566  171.5750       97.86549 95.31133       
132.6443 262.6864       144.9827 23.60023 9.233158 32.94616 9.781705 -9.345928 
13.45113 
1 1 1 12  -19 11 o 44.94550 6.827272  477.6078       124.1074 630.6904       
195.2229 373.7794       160.7778 51.04913 9.464041 38.84187 9.842689 12.20725 
13.65454 
1 1 1 12  -19 12 o 72.00441 4.569904  1115.927       133.3467 1345.477       
226.7507 994.5725       164.8686 77.02930 7.011545 66.97952 5.862963 10.04978 
9.139809 
1 1 1 12  -19 13 o 58.63773 5.362406  780.2418       129.8748 897.8203       
207.3658 704.3513       166.5968 61.89242 7.980327 55.38304 7.164911 6.509377 
10.72481 
1 1 1 12  -19 14 o 31.66529 7.424375  257.1154       110.9838 286.8449       
191.5839 242.0995       136.1569 32.59727 11.36815 30.73331 9.552517 1.863962 
14.84875 
1 1 1 12  -19 15 o 25.63881 7.288011  140.2490       119.6854 111.9695       
191.9251 158.2445       153.1014 25.23515 10.62519 26.04247 9.978260 
-0.8073215     14.57602 
1 1 1 12  -19 16 o 29.83473 7.901962  244.0842       136.8991 173.6812       
196.6656 310.2686       190.6823 27.02472 11.00197 32.64473 11.34551 -5.620007 
15.80392 
1 1 1 12  -19 17 o 28.12443 7.432905  200.4245       119.6481 113.6184       
155.4156 326.7349       187.4733 23.47207 9.702158 32.77679 11.26323 -9.304712 
14.86581 
1 1 1 12  -19 18 o 22.97565 7.021427  98.71712       126.4693 164.6025       
175.7995 28.04416       182.0748 24.99086 10.32371 20.96043 9.519597 4.030437 
14.04285 
1 1 1 12  -19 19 o 21.37159 6.860020  61.08981       134.6850 28.44273       
199.9546 88.20387       182.2245 20.86576 9.652006 21.87741 9.750808 -1.011650 
13.72004 
1 1 1 12  -18 0  o 122.8249 4.018935  3183.192       188.2609 3147.968       
223.1412 3270.191       350.6844 121.9858 4.357039 123.6639 6.754521 -1.678116 
8.037869 
1 1 1 12  -18 1  o 107.2158 3.997349  2467.211       176.1344 2556.659       
229.4227 2338.807       274.8772 109.7680 4.978305 104.6636 6.255532 5.104454 
7.994699 
1 1 1 12  -18 2  o 42.81265 5.832165  406.5170       101.0671 418.6990       
132.4829 389.5575       156.3170 44.13383 7.150052 41.49147 9.215928 2.642361 
11.66433 
1 1 1 12  -18 3  o 108.9500 4.228411  2556.848       181.2030 2596.080       
221.7046 2477.908       314.4860 110.5701 4.775930 107.3299 6.979135 3.240196 
8.456822 
1 1 1 12  -18 4  o 38.34682 6.224684  312.2513       99.18961 197.3088       
127.1996 490.5892       158.4410 29.88064 9.221992 46.81300 8.363111 -16.93236 
12.44937 
1 1 1 12  -18 5  o 91.61490 3.872937  1820.247       146.5990 2045.226       
199.5600 1556.508       216.0672 98.03050 4.848790 85.19930 6.040514 12.83121 
7.745874 
1 1 1 12  -18 6  o 32.60688 6.592247  243.9447       99.29982 323.8128       
134.3259 147.7042       147.4525 37.67944 8.666602 27.53432 9.935838 10.14512 
13.18449 
1 1 1 12  -18 7  o 104.2196 4.084932  2296.177       171.6350 2202.754       
212.8446 2469.877       290.2234 101.5431 4.992674 106.8961 6.466830 -5.352989 
8.169865 
1 1 1 12  -18 8  o 61.58169 4.426958  807.8904       113.3314 731.9249       
148.1350 915.1109       175.9900 58.20433 6.062105 64.95905 6.453115 -6.754715 
8.853915 
1 1 1 12  -18 9  o 57.42347 4.504005  700.4700       106.5930 539.4646       
140.3139 920.1880       163.9130 49.68776 6.726241 65.15917 5.991822 -15.47141 
9.008010 
1 1 1 12  -18 10 o 56.84009 5.925498  717.7804       140.0298 797.0137       
217.0731 661.3099       183.2579 59.33440 8.714060 54.34579 8.031891 4.988609 
11.85100 
1 1 1 12  -18 11 o 57.48941 5.244710  731.5622       124.9081 910.2084       
185.7817 584.1887       168.7391 64.06701 6.907001 50.91182 7.894383 13.15519 
10.48942 
1 1 1 12  -18 12 o 36.72601 7.389198  336.4701       119.6442 312.5860       
174.1540 357.8185       164.6505 35.41144 10.76297 38.04057 10.12717 -2.629131 
14.77840 
1 1 1 12  -18 13 o 70.14645 5.479612  1163.465       154.3011 945.5814       
239.3645 1318.379       201.8337 63.30521 9.006197 76.98769 6.244439 -13.68249 
10.95922 
1 1 1 12  -18 14 o 30.86307 6.501040  215.0737       111.6836 -12.15085      
163.4877 413.8967       152.9293 20.79652 9.253407 40.92961 9.133921 -20.13309 
13.00208 
1 1 1 12  -18 15 o 22.24518 6.849343  30.75335       116.5086 62.87050       
188.9455 11.04966       147.9932 24.02876 10.34370 20.46159 8.981196 3.567171 
13.69869 
1 1 1 12  -18 16 o 43.76846 7.254458  492.6273       128.5769 593.1583       
208.0466 430.5002       163.5501 46.89919 10.78470 40.63773 9.705606 6.261463 
14.50892 
1 1 1 12  -18 17 f 44.89828 7.363722  539.4724       135.2499 637.4918       
208.7673 468.5774       177.5473 48.30524 10.58379 41.49132 10.24114 6.813919 
14.72744 
1 1 1 12  -18 18 o 23.91025 6.833708  119.2993       108.9264 174.6373       
149.9547 57.48241       158.4900 26.12586 9.914341 21.69464 9.407663 4.431215 
13.66742 
1 1 1 12  -18 19 o 23.14807 7.071711  101.6517       123.9759 94.65707       
199.0683 106.0835       158.4566 23.47757 10.35549 22.81857 9.633285 0.6589947 
14.14342 
1 1 1 12  -18 20 o 31.62778 7.626595  236.1555       134.8368 679.7520       
235.9972 21.16711       164.2935 43.57630 12.34002 19.67927 8.965694 23.89703 
15.25319 
1 1 1 12  -17 0  f 86.94627 3.710151  1596.824       127.8270 1588.504       
156.6013 1613.436       221.2737 86.73283 4.300638 87.15972 6.046932 
-0.4268951     7.420301 
1 1 1 12  -17 1  o 124.1077 4.030150  3269.786       207.0264 3272.662       
271.1400 3265.765       320.5937 124.2883 5.196183 123.9272 6.161827 0.3611221 
8.060300 
1 1 1 12  -17 2  o 51.04366 4.874365  551.8163       101.3382 537.5651       
127.8786 575.8736       166.1477 50.26525 6.059700 51.82207 7.636609 -1.556820 
9.748731 
1 1 1 12  -17 3  o 121.0705 4.149389  3171.857       203.7046 3346.858       
260.9903 2899.068       325.8503 125.6539 4.947314 116.4871 6.662868 9.166771 
8.298779 
1 1 1 12  -17 4  o 139.8704 4.749253  4258.874       271.3270 4552.071       
353.3132 3837.396       423.6112 146.1987 5.756220 133.5420 7.555629 12.65672 
9.498506 
1 1 1 12  -17 5  o 114.5725 3.763361  2776.727       180.4656 3076.556       
266.7911 2523.817       245.0292 120.2513 5.284485 108.8938 5.359642 11.35748 
7.526722 
1 1 1 12  -17 6  o 80.25877 3.734083  1377.505       124.4641 1411.140       
165.5856 1333.820       188.7104 81.48321 4.840337 79.03434 5.687234 2.448868 
7.468165 
1 1 1 12  -17 7  o 94.50650 3.763813  1874.253       146.9747 1739.892       
189.0643 2079.463       233.6525 90.39165 4.981983 98.62135 5.643136 -8.229706 
7.527625 
1 1 1 12  -17 8  o 57.61451 4.456603  725.6633       105.8362 796.5463       
141.8088 636.5364       159.0144 61.00371 5.536916 54.22531 6.984825 6.778404 
8.913205 
1 1 1 12  -17 9  o 101.6250 4.792531  2264.104       199.0006 2120.285       
313.9547 2360.691       257.2880 98.48317 7.593220 104.7667 5.849480 -6.283562 
9.585062 
1 1 1 12  -17 10 o 32.05287 6.911996  246.5007       106.3761 115.6850       
184.6660 311.4667       130.1368 27.35393 10.83791 36.75181 8.581515 -9.397875 
13.82399 
1 1 1 12  -17 11 o 44.90469 6.392919  453.5195       112.5818 530.5410       
189.5005 411.5058       139.9586 47.44075 9.843880 42.36864 8.159391 5.072102 
12.78584 
1 1 1 12  -17 12 o 58.29921 5.655388  767.9163       136.8322 723.2435       
205.4536 803.5261       183.4331 56.43233 8.671752 60.16608 7.261845 -3.733749 
11.31078 
1 1 1 12  -17 13 f 23.19645 6.957519  45.01340       115.7815 9.145952       
190.2111 66.12503       145.9307 23.37873 10.22228 23.01418 9.441036 0.3645477 
13.91504 
1 1 1 12  -17 14 o 20.61556 6.458797  -23.50493      104.2501 47.19781       
182.9149 -57.52044      126.8731 23.93840 10.23687 17.29272 7.878500 6.645689 
12.91759 
1 1 1 12  -17 15 o 39.60429 7.232369  404.7738       120.1616 366.1584       
193.3603 429.0690       153.3725 37.30472 11.34144 41.90386 8.977772 -4.599136 
14.46474 
1 1 1 12  -17 16 o 98.23532 5.482223  2194.082       209.3408 2413.990       
379.5452 2097.933       250.9669 99.88667 9.050593 96.58397 6.189170 3.302704 
10.96445 
1 1 1 12  -17 17 o 35.60766 7.243107  341.4123       119.4054 233.4544       
173.5384 438.4757       164.5493 30.03362 10.78476 41.18170 9.671571 -11.14808 
14.48621 
1 1 1 12  -17 18 o 28.97457 7.480164  174.8362       123.9896 382.4062       
200.4983 46.29987       157.7761 36.24562 11.63948 21.70351 9.398617 14.54211 
14.96033 
1 1 1 12  -17 19 o 33.90124 7.629352  283.8773       129.8482 557.8098       
214.0061 124.2723       163.3532 43.45567 11.53517 24.34681 9.988392 19.10886 
15.25870 
1 1 1 12  -17 20 o 24.17858 7.305222  119.1013       128.4197 156.4220       
207.3395 95.87398       163.5712 25.61516 10.92464 22.74200 9.701407 2.873159 
14.61044 
1 1 1 12  -17 21 o 23.14430 7.322919  108.8249       144.3089 35.69903       
266.4601 139.1751       171.6634 22.79236 10.72084 23.49625 9.978182 
-0.7038898     14.64584 
1 1 1 12  -16 0  f 67.79809 5.806323  973.9825       165.2713 0.000000       
0.000000 973.9825       165.2713 ?        ?        67.79809 5.806323 ? ? 
1 1 1 12  -16 1  o 103.5726 3.569719  2261.353       152.3114 2232.972       
196.6812 2303.871       240.7373 102.8328 4.555669 104.3123 5.497040 -1.479500 
7.139438 
1 1 1 12  -16 2  o 39.81021 6.037281  336.9508       95.52908 285.8790       
119.9213 425.6362       158.0274 35.85819 8.148693 43.76224 8.910323 -7.904049 
12.07456 
1 1 1 12  -16 3  o 196.7167 5.165915  8260.666       422.3662 8267.427       
559.5259 8251.710       643.9678 197.0422 6.763663 196.3911 7.810222 0.6511078 
10.33183 
1 1 1 12  -16 4  o 112.9332 3.643835  2692.074       172.0678 3054.068       
250.9314 2370.794       236.3994 120.1081 4.976266 105.7584 5.324181 14.34977 
7.287670 
1 1 1 12  -16 5  o 61.26976 4.155085  800.1763       106.0006 813.0500       
141.8064 783.8737       159.5773 61.88419 5.458045 60.65533 6.266473 1.228859 
8.310170 
1 1 1 12  -16 6  o 59.17412 4.374906  748.2000       108.3276 763.3625       
148.2352 730.8217       158.6960 59.86179 5.898245 58.48645 6.462964 1.375336 
8.749811 
1 1 1 12  -16 7  o 62.38707 4.361467  826.0041       112.1119 802.2343       
144.3492 862.1409       177.9821 61.36120 5.603269 63.41293 6.685280 -2.051735 
8.722935 
1 1 1 12  -16 8  o 21.68159 6.664927  -11.29953      106.6220 9.337986       
186.3861 -21.33792      129.9921 24.08733 10.31812 19.27586 8.439283 4.811474 
13.32985 
1 1 1 12  -16 9  o 72.70712 4.641438  1155.795       138.4736 1035.848       
212.8416 1243.827       182.3400 69.16216 7.330086 76.25209 5.695754 -7.089935 
9.282875 
1 1 1 12  -16 10 o 51.06773 5.307983  568.4401       112.4428 562.8361       
172.1584 572.6090       148.4902 50.70116 8.087818 51.43430 6.876478 
-0.7331429     10.61597 
1 1 1 12  -16 11 o 66.88582 5.097123  953.5356       141.2646 1118.336       
222.8461 842.8223       182.6526 71.53330 7.420236 62.23834 6.990189 9.294964 
10.19425 
1 1 1 12  -16 12 o 40.78755 6.603137  429.6705       122.4864 131.2576       
196.1767 620.3267       156.8065 28.33801 11.18864 53.23709 7.015697 -24.89909 
13.20627 
1 1 1 12  -16 13 o 99.16385 4.771669  2146.336       183.8170 2192.715       
329.8148 2125.438       221.3894 99.10884 7.926452 99.21886 5.314759 
-0.1100159     9.543339 
1 1 1 12  -16 14 o 29.60574 7.182736  189.8859       119.9214 25.68146       
187.2910 303.9834       156.1214 23.80842 10.27412 35.40306 10.04038 -11.59463 
14.36547 
1 1 1 12  -16 15 o 85.01720 4.857052  1579.548       168.7290 1770.105       
277.6797 1468.006       212.4480 88.52211 7.471596 81.51228 6.207986 7.009834 
9.714105 
1 1 1 12  -16 16 f 56.43116 5.629276  767.5760       123.4760 596.2451       
188.9658 895.2371       163.1152 49.39989 9.448553 63.46243 6.122078 -14.06254 
11.25855 
1 1 1 12  -16 17 o 52.21186 6.391780  668.5640       132.9235 626.7831       
208.4226 697.2087       172.5751 49.48972 10.36478 54.93401 7.482693 -5.444283 
12.78356 
1 1 1 12  -16 18 o 55.12923 6.318693  725.5447       141.3164 885.3226       
225.1209 621.6401       181.5411 60.24602 8.900379 50.01245 8.971442 10.23357 
12.63739 
1 1 1 12  -16 19 o 25.36368 7.455826  122.7527       131.1339 101.0029       
198.6701 139.5443       174.5625 25.03461 10.68594 25.69275 10.40039 
-0.6581440     14.91165 
1 1 1 12  -16 20 o 68.89148 6.150183  1196.509       174.3232 1177.032       
270.8553 1210.282       227.7664 67.14974 9.607580 70.63322 7.680716 -3.483475 
12.30037 
1 1 1 12  -16 21 o 18.90164 6.483556  -165.4732      137.8857 -65.94197      
261.4240 -203.8338      162.2964 22.19181 10.49733 15.61147 7.612618 6.580333 
12.96711 
1 1 1 12  -16 22 o 49.82634 8.544010  827.5273       170.5823 875.1027       
296.9398 804.0933       208.4014 46.91518 14.01302 52.73751 9.779345 -5.822334 
17.08802 
1 1 1 12  -15 0  o 122.7610 3.686321  3062.377       178.2375 2848.831       
214.1232 3544.193       321.6317 116.1943 4.389346 129.3277 5.923638 -13.13335 
7.372642 
1 1 1 12  -15 1  o 21.58149 6.248030  22.47729       86.50413 -11.18846      
105.9760 89.69268       149.7434 17.85083 7.716120 25.31215 9.829192 -7.461321 
12.49606 
1 1 1 12  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -15 3  o 189.7212 5.158381  7637.971       400.0345 7540.548       
509.2102 7795.025       646.5334 188.4522 6.436014 190.9902 8.063082 -2.537949 
10.31676 
1 1 1 12  -15 4  o 78.55060 3.580048  1306.552       116.8293 1317.561       
154.8317 1291.998       178.0296 78.97816 4.669539 78.12305 5.427927 0.8551102 
7.160097 
1 1 1 12  -15 5  o 69.86809 3.928632  1050.681       111.0767 1101.857       
141.5818 968.7582       179.1336 72.21111 4.670080 67.52508 6.318777 4.686028 
7.857264 
1 1 1 12  -15 6  o 111.9453 3.614882  2646.971       169.6668 2835.965       
246.6253 2477.151       233.7800 115.7365 5.075611 108.1540 5.148560 7.582481 
7.229764 
1 1 1 12  -15 7  f 64.54121 4.751811  880.7422       128.1174 983.1200       
193.0925 800.2256       171.2401 67.85012 6.778537 61.23230 6.661101 6.617821 
9.503622 
1 1 1 12  -15 8  o 87.19562 4.884217  1629.295       178.0770 1620.060       
263.4513 1637.063       241.6380 86.88680 7.222168 87.50443 6.577430 
-0.6176224     9.768434 
1 1 1 12  -15 9  o 44.43367 7.168466  429.4215       129.8974 594.3386       
207.7315 323.5311       166.4555 51.20164 10.02098 37.66570 10.25317 13.53593 
14.33693 
1 1 1 12  -15 10 f 139.5451 6.351997  4209.629       359.2142 4496.072       
598.4051 4048.264       449.1382 142.4961 10.00261 136.5941 7.831937 5.902023 
12.70399 
1 1 1 12  -15 11 o 38.07415 6.970002  339.2060       117.5588 203.6736       
171.4200 459.5464       161.5272 31.11646 10.76269 45.03183 8.859360 -13.91537 
13.94000 
1 1 1 12  -15 12 o 90.32326 4.758379  1753.569       178.4021 1851.598       
276.6219 1683.758       233.4371 92.29557 7.138824 88.35095 6.293319 3.944618 
9.516757 
1 1 1 12  -15 13 o 57.37685 4.987960  713.9961       118.0705 744.7783       
186.4972 693.4052       152.5313 58.21362 7.630777 56.54008 6.425748 1.673542 
9.975921 
1 1 1 12  -15 14 o 36.19320 6.929344  300.7231       105.9682 364.5226       
170.5206 260.5829       135.2563 39.04641 10.26567 33.33998 9.310169 5.706429 
13.85869 
1 1 1 12  -15 15 o 74.77417 5.002675  1231.888       155.1534 1287.675       
240.6336 1192.194       202.9803 75.94077 7.547486 73.60757 6.568292 2.333199 
10.00535 
1 1 1 12  -15 16 o 31.64548 7.628473  210.3122       127.1077 369.0899       
195.9270 94.92080       167.0268 38.20518 11.37685 25.08578 10.16571 13.11941 
15.25695 
1 1 1 12  -15 17 o 28.29466 7.466002  177.2065       117.1438 151.0089       
196.9735 191.5430       145.7131 27.98971 11.16061 28.59962 9.919952 
-0.6099091     14.93200 
1 1 1 12  -15 18 o 16.56666 5.700194  -250.1688      124.8984 -239.8924      
191.2380 -257.8126      164.9329 17.53250 8.479896 15.60082 7.619725 1.931685 
11.40039 
1 1 1 12  -15 19 o 49.04585 6.998943  623.4459       140.5780 475.8593       
203.9002 757.1562       194.0781 41.70105 11.34632 56.39066 8.197670 -14.68961 
13.99789 
1 1 1 12  -15 20 o 59.44145 6.108297  865.8126       151.8728 890.3417       
225.4623 845.4377       205.4860 59.87349 8.969338 59.00941 8.294343 0.8640747 
12.21659 
1 1 1 12  -15 21 o 37.38953 7.131757  373.7414       122.8057 580.8004       
184.0921 207.7165       164.8446 46.74099 9.705180 28.03806 10.45262 18.70292 
14.26351 
1 1 1 12  -15 22 o 42.28332 9.155605  609.1066       177.0315 609.3872       
294.8225 608.9485       221.3866 40.06204 14.08972 44.50460 11.69531 -4.442558 
18.31121 
1 1 1 12  -15 23 f 47.95622 8.794285  810.5151       178.9844 759.5932       
288.2722 842.4604       228.3254 43.22034 13.96436 52.69211 10.69366 -9.471771 
17.58857 
1 1 1 12  -14 0  o 133.7444 4.200485  3914.259       221.9772 4203.855       
277.4059 3398.746       370.1175 141.0888 4.683217 126.4000 6.974509 14.68883 
8.400970 
1 1 1 12  -14 1  o 119.2207 3.490367  2938.666       164.5194 2817.972       
199.4454 3195.652       291.0296 115.5948 4.109671 122.8466 5.642806 -7.251816 
6.980734 
1 1 1 12  -14 2  o 42.14385 5.284679  400.6117       87.50273 452.6587       
112.9767 322.5796       138.3335 46.22429 5.821563 38.06342 8.821606 8.160873 
10.56936 
1 1 1 12  -14 3  o 85.54987 3.916639  1561.708       137.4456 1613.052       
178.1551 1486.215       216.0290 87.38229 4.856194 83.71743 6.146350 3.664864 
7.833278 
1 1 1 12  -14 4  o 128.8406 5.273364  3510.754       285.2458 3510.754       
285.2458 0.000000       0.000000 128.8406 5.273364 ?        ?        ? ? 
1 1 1 12  -14 5  o 61.39096 4.170620  803.2995       104.7808 820.4109       
134.8006 777.1785       166.5493 62.29010 5.154586 60.49183 6.557938 1.798267 
8.341241 
1 1 1 12  -14 6  o 65.92646 4.689717  918.1653       129.2500 982.5766       
193.9708 866.7278       173.3385 67.97308 6.797052 63.87984 6.463270 4.093235 
9.379434 
1 1 1 12  -14 7  f 80.82631 4.961683  1396.367       167.5189 1337.521       
246.4253 1446.926       228.4137 79.16901 7.413974 82.48361 6.595922 -3.314598 
9.923367 
1 1 1 12  -14 8  o 66.55440 5.176451  918.9509       142.3473 1114.299       
227.1703 792.6639       182.6529 72.17909 7.496546 60.92971 7.140333 11.24939 
10.35290 
1 1 1 12  -14 9  o 94.67841 4.406392  1907.926       173.1587 1923.207       
266.0350 1896.693       228.0880 94.90345 6.676947 94.45338 5.751830 0.4500732 
8.812784 
1 1 1 12  -14 10 o 146.0827 6.200324  4616.897       376.1562 4742.031       
578.8118 4525.410       494.9165 147.4597 9.349432 144.7058 8.146421 2.753815 
12.40065 
1 1 1 12  -14 11 o 135.2035 5.672812  3928.805       311.7050 4102.623       
513.4615 3827.365       392.2537 137.0398 8.924467 133.3671 7.005503 3.672653 
11.34562 
1 1 1 12  -14 12 o 30.81155 7.268997  201.1280       108.3205 219.1676       
173.4859 189.6019       138.6727 32.00486 10.83799 29.61824 9.689745 2.386627 
14.53799 
1 1 1 12  -14 13 o 57.33668 5.234391  717.2508       125.5421 667.9194       
180.6816 763.2980       174.5632 55.32030 7.779477 59.35305 7.005364 -4.032757 
10.46878 
1 1 1 12  -14 14 o 62.17233 5.201111  831.4841       134.6607 984.5287       
205.1075 715.5379       178.5256 67.14841 7.275568 57.19625 7.434536 9.952152 
10.40222 
1 1 1 12  -14 15 o 71.41258 5.681219  1123.582       167.7083 1184.834       
263.6591 1081.959       217.3448 72.73045 8.634704 70.09471 7.385588 2.635742 
11.36244 
1 1 1 12  -14 16 o 42.59235 7.089020  426.0555       122.1087 484.1048       
198.2786 390.5879       154.9863 44.57929 10.71156 40.60541 9.288664 3.973881 
14.17804 
1 1 1 12  -14 17 o 44.63148 7.393421  497.7446       137.3338 397.5922       
200.3723 586.4748       188.6004 39.67508 11.41440 49.58788 9.400117 -9.912800 
14.78684 
1 1 1 12  -14 18 o 30.68045 7.632538  190.8909       130.7856 366.2468       
197.7357 54.51899       174.3763 37.62576 11.47502 23.73514 10.06709 13.89062 
15.26508 
1 1 1 12  -14 19 o 39.73483 7.449760  408.2362       126.5367 435.0463       
178.9727 381.4397       178.9272 41.17727 10.35494 38.29239 10.71312 2.884876 
14.89952 
1 1 1 12  -14 20 o 32.25676 7.413887  256.6990       136.2912 22.38194       
203.9820 445.6645       183.1813 23.46852 10.40001 41.04499 10.56895 -17.57647 
14.82777 
1 1 1 12  -14 21 o 43.33096 7.525551  512.5117       137.1909 593.2498       
192.3563 428.9235       195.7219 47.62017 9.945385 39.04175 11.29712 8.578423 
15.05110 
1 1 1 12  -14 22 o 22.84115 6.996076  63.29576       125.0524 103.3681       
171.6269 17.94420       182.5825 23.96042 10.06611 21.72188 9.718733 2.238543 
13.99215 
1 1 1 12  -14 23 o 28.85548 7.760421  226.6899       137.6949 100.7188       
192.2293 359.4357       197.3307 23.87985 10.35808 33.83112 11.55884 -9.951265 
15.52084 
1 1 1 12  -14 24 o 26.72607 7.964112  221.7519       148.2791 208.2970       
273.8215 227.3345       176.3780 26.44937 11.86610 27.00277 10.62563 
-0.5534039     15.92822 
1 1 1 12  -13 0  o 186.5738 5.897792  7415.706       430.0908 7377.191       
520.4474 7498.655       763.7869 186.4090 6.650142 186.7386 9.742249 
-0.3295593     11.79558 
1 1 1 12  -13 1  o 122.6669 3.749319  3205.821       187.9183 3291.189       
241.4435 3074.646       299.2912 124.8647 4.605712 120.4691 5.917516 4.395607 
7.498638 
1 1 1 12  -13 2  f 99.23752 3.866371  1985.908       150.4159 1827.322       
179.6196 2358.173       275.1996 93.03476 4.598643 105.4403 6.216734 -12.40551 
7.732742 
1 1 1 12  -13 3  o 204.0307 6.856271  8914.881       537.3252 8841.988       
641.0479 9087.066       985.2568 203.6688 7.496991 204.3926 11.48168 
-0.7237854     13.71254 
1 1 1 12  -13 4  o 37.39973 6.142624  305.8613       93.48382 278.7327       
121.1579 345.7741       146.9584 35.41446 8.287278 39.38501 9.069088 -3.970551 
12.28525 
1 1 1 12  -13 5  o 67.58430 6.623041  970.2074       187.9240 0.000000       
0.000000 970.2074       187.9240 ?        ?        67.58430 6.623041 ? ? 
1 1 1 12  -13 6  o 131.8553 5.257247  3697.842       290.0659 3776.958       
429.8822 3631.712       393.0219 133.0793 7.694141 130.6313 7.166226 2.447968 
10.51449 
1 1 1 12  -13 7  o 88.40070 4.827244  1628.377       176.8707 1869.535       
278.6129 1465.583       228.9129 93.73220 7.080004 83.06918 6.563740 10.66302 
9.654488 
1 1 1 12  -13 8  o 119.8236 4.911466  2997.402       243.9996 3424.260       
383.7643 2707.757       316.1234 126.7855 7.209679 112.8617 6.671619 13.92385 
9.822931 
1 1 1 12  -13 9  o 24.77722 6.822540  32.03359       120.0051 -206.8329      
190.5966 188.9246       154.4673 19.17550 9.033438 30.37893 10.22669 -11.20343 
13.64508 
1 1 1 12  -13 10 o 30.36816 7.354721  183.1563       116.1046 112.8399       
169.1582 245.7881       159.6476 27.22364 10.47262 33.51268 10.32917 -6.289040 
14.70944 
1 1 1 12  -13 11 o 87.68535 4.840733  1636.318       176.3580 1704.688       
271.8083 1586.609       231.7660 89.15517 7.261683 86.21553 6.403025 2.939636 
9.681465 
1 1 1 12  -13 12 o 109.7490 5.121200  2478.657       223.0003 2941.407       
397.7663 2266.541       269.3027 116.5414 8.129595 102.9565 6.230285 13.58485 
10.24240 
1 1 1 12  -13 13 o 48.89920 6.932402  542.8978       137.0951 576.5111       
201.1591 513.7438       187.3410 50.32141 9.873519 47.47699 9.733778 2.844418 
13.86480 
1 1 1 12  -13 14 o 96.26720 5.573359  2027.923       223.6979 1952.131       
332.4915 2090.601       302.3635 94.37789 8.391340 98.15652 7.337216 -3.778625 
11.14672 
1 1 1 12  -13 15 o 90.01906 5.172111  1751.061       188.6851 1829.536       
312.8534 1706.197       236.5489 91.17107 8.173440 88.86705 6.340174 2.304024 
10.34422 
1 1 1 12  -13 16 o 36.81107 7.236837  320.1085       132.5848 86.56085       
198.2138 509.2138       178.3603 26.80658 11.00097 46.81556 9.405633 -20.00898 
14.47367 
1 1 1 12  -13 17 o 24.88443 7.187294  76.18433       119.5242 40.96619       
167.7389 112.5104       170.3570 23.46463 9.908991 26.30423 10.41348 -2.839596 
14.37459 
1 1 1 12  -13 18 o 52.55821 6.513721  628.6230       138.1597 845.2909       
214.3458 474.6246       180.7073 60.89333 8.384291 44.22309 9.970855 16.67023 
13.02744 
1 1 1 12  -13 19 o 30.24408 7.418093  201.0388       119.0765 314.8793       
177.7622 108.3780       160.3759 35.30430 10.90310 25.18386 10.06155 10.12044 
14.83619 
1 1 1 12  -13 20 o 44.56457 7.503430  522.4374       146.6447 337.9230       
215.4695 681.6484       200.1507 35.59970 12.07841 53.52944 8.906057 -17.92973 
15.00686 
1 1 1 12  -13 21 o 35.35032 7.466568  332.1213       125.6023 214.7545       
181.2092 440.6488       174.2520 29.51885 10.96822 41.18179 10.13394 -11.66294 
14.93314 
1 1 1 12  -13 22 o 21.87377 6.791432  24.06472       121.3867 75.79622       
171.0013 -28.47995      172.3400 23.39269 9.947279 20.35485 9.249099 3.037838 
13.58286 
1 1 1 12  -13 23 o 55.36164 6.513721  792.5331       141.2472 754.7695       
228.3484 815.9367       179.7639 52.27850 10.77225 58.44478 7.326182 -6.166275 
13.02744 
1 1 1 12  -13 24 o 29.06467 7.717935  244.7733       134.2970 326.6980       
179.9678 141.8264       201.7409 32.79511 11.03861 25.33424 10.78959 7.460875 
15.43587 
1 1 1 12  -13 25 o 30.08482 8.682193  343.3570       174.6815 306.0572       
294.2150 363.6634       217.0843 28.59292 12.60346 31.57672 11.94465 -2.983803 
17.36439 
1 1 1 12  -12 0  o 146.7483 3.899153  4552.732       237.9932 4562.918       
316.0180 4539.383       361.7434 147.0059 5.120332 146.4907 5.881817 0.5151978 
7.798306 
1 1 1 12  -12 1  o 116.3933 4.168598  2880.911       191.1855 2908.699       
233.8101 2824.842       332.1209 117.4081 4.743361 115.3785 6.856338 2.029594 
8.337195 
1 1 1 12  -12 2  o 165.3492 5.123050  5770.451       340.7119 5668.972       
423.2374 5957.301       574.3078 163.5849 6.162570 167.1134 8.185676 -3.528473 
10.24610 
1 1 1 12  -12 3  o 96.12254 3.728666  1968.573       141.3310 1999.257       
173.2250 1907.480       244.4247 97.37046 4.237448 94.87462 6.136434 2.495842 
7.457331 
1 1 1 12  -12 4  o 61.00360 4.605196  791.8314       117.6400 753.7699       
169.8162 826.9512       163.1218 59.56122 6.791045 62.44598 6.221980 -2.884766 
9.210392 
1 1 1 12  -12 5  o 128.9915 4.651705  3522.990       242.9267 3492.541       
305.0053 3575.817       401.7429 128.4277 5.656786 129.5553 7.386083 -1.127548 
9.303411 
1 1 1 12  -12 6  o 156.3063 5.850056  5254.203       365.9784 5125.711       
614.3198 5324.896       455.6657 154.3647 9.479110 158.2479 6.858504 -3.883194 
11.70011 
1 1 1 12  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -12 8  o 100.7055 4.275677  2122.396       177.9895 2302.597       
281.6700 2002.608       229.6510 104.1522 6.441592 97.25887 5.624193 6.893326 
8.551353 
1 1 1 12  -12 9  o 78.91412 4.535885  1299.117       146.5372 1423.410       
239.3967 1224.644       185.3089 81.80012 6.970843 76.02813 5.805545 5.771988 
9.071770 
1 1 1 12  -12 10 o 167.1040 6.440259  5862.277       391.0235 6291.545       
793.1246 5724.431       449.4420 170.0879 11.10680 164.1201 6.522781 5.967758 
12.88052 
1 1 1 12  -12 11 o 90.65150 4.808560  1750.924       181.8202 1752.564       
273.0670 1749.617       243.6973 90.61266 7.177966 90.69034 6.400453 
-0.7767487E-01 9.617120 
1 1 1 12  -12 12 o 43.53697 7.441357  434.7552       134.3632 386.9361       
202.0764 472.6501       179.8894 41.24676 11.32787 45.82719 9.652694 -4.580433 
14.88271 
1 1 1 12  -12 13 o 86.95969 5.043946  1634.268       182.9027 1475.372       
264.8274 1779.187       252.9109 82.75326 7.622525 91.16612 6.607775 -8.412865 
10.08789 
1 1 1 12  -12 14 o 116.1818 5.660075  2915.373       275.3539 3214.878       
404.6718 2657.145       375.7528 121.7533 7.916680 110.6103 8.091474 11.14304 
11.32015 
1 1 1 12  -12 15 o 84.92828 4.779958  1557.837       166.8838 1546.026       
263.3949 1565.758       215.7038 84.42081 7.431542 85.43575 6.013666 -1.014938 
9.559916 
1 1 1 12  -12 16 o 48.80990 6.364209  521.8430       126.2798 677.4421       
195.8912 411.2043       165.1829 55.44672 8.415116 42.17307 9.549787 13.27365 
12.72842 
1 1 1 12  -12 17 o 73.25105 5.423145  1183.813       166.1839 1150.190       
243.1861 1213.270       227.6241 72.10716 8.033065 74.39494 7.287791 -2.287781 
10.84629 
1 1 1 12  -12 18 o 116.4623 5.886558  3044.642       287.7974 3082.363       
410.3837 3008.138       403.7122 117.1550 8.343539 115.7697 8.306118 1.385338 
11.77312 
1 1 1 12  -12 19 o 21.95181 6.733255  -12.66261      119.3027 -109.0652      
168.7537 83.66204       168.6854 19.04419 8.831429 24.85943 10.16626 -5.815247 
13.46651 
1 1 1 12  -12 20 o 60.55690 5.887900  833.1572       147.1561 916.2679       
234.1483 778.8995       189.1877 62.62322 8.905876 58.49058 7.704210 4.132641 
11.77580 
1 1 1 12  -12 21 o 22.73092 6.815426  53.41652       110.9345 47.68216       
177.7816 57.07302       141.9636 23.42581 10.05734 22.03603 9.200543 1.389776 
13.63085 
1 1 1 12  -12 22 o 48.57843 6.458784  591.4233       127.1413 465.4554       
183.6374 707.3984       176.2029 42.12902 10.42559 55.02784 7.626964 -12.89883 
12.91757 
1 1 1 12  -12 23 o 43.81378 7.164403  510.2597       129.3138 546.6312       
179.3977 470.9229       186.5676 45.98490 9.605059 41.64266 10.63285 4.342239 
14.32881 
1 1 1 12  -12 24 o 36.08514 8.134489  382.9972       139.8774 449.3693       
203.4164 323.4619       192.6550 38.96503 11.59004 33.20525 11.41712 5.759773 
16.26898 
1 1 1 12  -12 25 o 23.19121 7.102928  67.58258       136.6648 -86.23447      
209.3420 181.8270       180.4145 20.02294 9.442772 26.35948 10.61322 -6.336544 
14.20586 
1 1 1 12  -12 26 o 26.39678 6.961277  221.5641       111.0237 -33.59432      
291.3577 264.9077       120.0838 22.36428 10.73695 30.42929 8.863143 -8.065008 
13.92255 
1 1 1 12  -11 0  o 148.2892 4.743279  4607.741       273.2807 4532.246       
327.9659 4779.222       494.2839 146.5496 5.330466 150.0287 7.847352 -3.479141 
9.486559 
1 1 1 12  -11 1  o 202.8916 6.517546  8864.711       513.5455 9003.992       
621.4224 8564.699       912.0312 206.0756 7.182594 199.7075 10.87768 6.368134 
13.03509 
1 1 1 12  -11 2  o 229.7316 6.817884  11316.24       641.9004 11417.48       
825.4602 11161.37       1020.955 231.5152 8.492540 227.9479 10.66822 3.567307 
13.63577 
1 1 1 12  -11 3  o 155.4680 4.021552  5033.918       254.4589 4816.434       
319.4517 5411.450       420.8893 151.0587 5.037100 159.8774 6.270497 -8.818710 
8.043103 
1 1 1 12  -11 4  o 196.3178 7.142886  8233.692       576.3558 8050.701       
739.5884 8516.680       919.7260 193.9914 9.080897 198.6442 11.02817 -4.652878 
14.28577 
1 1 1 12  -11 5  o 121.7236 4.287816  3141.789       218.8480 3055.431       
314.6990 3222.665       304.5461 120.0692 6.242876 123.3779 5.879452 -3.308624 
8.575632 
1 1 1 12  -11 6  o 203.1184 8.130769  8958.288       693.0440 9044.854       
997.1647 8877.403       963.9056 203.9808 11.64391 202.2561 11.35152 1.724701 
16.26154 
1 1 1 12  -11 7  o 106.6283 4.574856  2427.310       202.3091 2320.253       
307.2163 2509.283       268.8277 104.4367 7.006676 108.8199 5.884192 -4.383141 
9.149713 
1 1 1 12  -11 8  f 40.66032 9.366438  369.0325       156.7032 0.000000       
0.000000 369.0325       156.7032 ?        ?        40.66032 9.366438 ? ? 
1 1 1 12  -11 9  o 143.8806 5.823556  4337.537       325.4727 4657.994       
593.0545 4199.418       389.3453 147.1443 9.600024 140.6169 6.595056 6.527359 
11.64711 
1 1 1 12  -11 10 o 144.2504 4.992467  4373.922       288.0797 4601.920       
493.5560 4256.111       354.7856 146.7915 8.008597 141.7092 5.963329 5.082291 
9.984935 
1 1 1 12  -11 11 o 42.77459 7.112482  413.9328       123.7425 384.4355       
197.0803 433.1295       158.9884 41.36023 11.11102 44.18895 8.882279 -2.828712 
14.22496 
1 1 1 12  -11 12 o 56.73407 5.709289  683.1524       134.2268 726.7719       
209.7925 652.9215       174.6527 58.17978 8.588928 55.28836 7.524241 2.891415 
11.41858 
1 1 1 12  -11 13 o 35.96151 7.860483  286.5466       135.5713 175.2644       
206.8088 370.4045       179.5264 31.47131 11.71266 40.45171 10.48630 -8.980396 
15.72097 
1 1 1 12  -11 14 o 24.05788 7.347376  -12.37716      135.0911 31.77483       
204.6371 -46.48068      179.8494 25.99251 10.95906 22.12325 9.789524 3.869257 
14.69475 
1 1 1 12  -11 15 o 160.2212 6.009083  5553.489       395.8958 5756.743       
630.8257 5421.418       508.5045 162.0838 9.270237 158.3585 7.648467 3.725281 
12.01817 
1 1 1 12  -11 16 o 19.70097 6.421190  -163.8584      129.2452 -321.6656      
187.5747 -21.21382      178.3357 16.81048 8.194906 22.59146 9.887882 -5.780973 
12.84238 
1 1 1 12  -11 17 o 34.61440 7.384863  284.2552       124.3132 124.8485       
204.4991 377.6872       156.5618 28.75925 11.40180 40.46955 9.388489 -11.71029 
14.76973 
1 1 1 12  -11 18 o 72.17461 4.985912  1138.426       150.9013 1072.374       
212.6561 1205.420       214.1651 69.98960 7.237115 74.35963 6.860135 -4.370026 
9.971825 
1 1 1 12  -11 19 f 60.14197 6.220850  861.8975       144.2028 661.8270       
224.5090 1002.403       188.1435 52.63659 10.53141 67.64735 6.624599 -15.01076 
12.44170 
1 1 1 12  -11 20 o 25.76226 7.457283  92.89352       128.2345 51.58853       
200.4120 121.5275       166.8642 25.22592 10.74905 26.29860 10.33936 -1.072681 
14.91457 
1 1 1 12  -11 21 o 21.04640 6.532992  -52.95757      120.3428 -213.7690      
173.1284 97.38262       167.3969 17.05627 8.209955 25.03652 10.16448 -7.980251 
13.06598 
1 1 1 12  -11 22 o 18.40422 6.066528  -134.4930      118.6417 -252.9032      
168.9475 -19.28767      166.6456 15.99024 7.791876 20.81819 9.300414 -4.827949 
12.13306 
1 1 1 12  -11 23 o 49.64423 6.428186  613.2186       129.1361 757.0562       
182.8239 470.0018       182.4289 56.88885 7.654676 42.39961 10.32919 14.48924 
12.85637 
1 1 1 12  -11 24 o 40.45042 7.844316  457.1567       136.9398 441.5806       
208.9732 468.8792       181.2882 39.15205 11.76799 41.74880 10.37534 -2.596745 
15.68863 
1 1 1 12  -11 25 o 24.07338 7.374473  85.94046       136.6914 105.0644       
204.9269 70.61169       183.4697 24.91536 10.74932 23.23140 10.09869 1.683956 
14.74895 
1 1 1 12  -11 26 o 22.04282 6.865578  66.07693       106.9443 68.24466       
232.6273 65.49602       120.4244 23.91600 10.82261 20.16964 8.450789 3.746359 
13.73116 
1 1 1 12  -11 27 o 26.31767 6.343649  210.8285       107.8721 -95.69940      
209.8187 320.9600       125.7665 19.03408 9.131680 33.60126 8.807949 -14.56718 
12.68730 
1 1 1 12  -10 0  o 93.74789 3.646517  1876.236       136.6075 1933.680       
170.4381 1773.037       228.4468 95.84322 4.235712 91.65256 5.936926 4.190659 
7.293035 
1 1 1 12  -10 1  o 135.7024 4.477159  3836.420       240.3637 3732.558       
292.4530 4052.628       421.9507 133.0503 5.235540 138.3546 7.264223 -5.304352 
8.954318 
1 1 1 12  -10 2  o 136.3702 4.505003  3944.794       248.1795 3982.920       
312.0480 3879.166       409.4134 137.4014 5.409429 135.3390 7.205435 2.062408 
9.010006 
1 1 1 12  -10 3  o 68.77153 4.230884  1001.753       121.0348 834.5316       
168.8171 1178.630       173.6221 62.81880 6.401000 74.72426 5.534322 -11.90546 
8.461768 
1 1 1 12  -10 4  o 27.52263 6.787331  111.6519       103.9930 3.147762       
139.0448 249.3951       156.6631 21.10612 8.972218 33.93914 10.18679 -12.83302 
13.57466 
1 1 1 12  -10 5  o 33.32058 6.228561  237.7300       100.9344 53.57722       
145.8508 406.9815       139.8253 23.57491 9.521665 43.06626 8.032297 -19.49135 
12.45712 
1 1 1 12  -10 6  o 61.05215 4.650839  800.3459       117.1179 726.0607       
178.1496 856.8887       155.4256 58.45975 7.258536 63.64455 5.816775 -5.184799 
9.301679 
1 1 1 12  -10 7  o 257.6217 10.06631  14580.52       1084.568 14069.40       
1461.313 15207.36       1618.294 253.0210 13.75649 262.2223 14.69971 -9.201309 
20.13262 
1 1 1 12  -10 8  o 86.80728 4.383734  1615.810       157.2426 1479.994       
238.5401 1720.176       209.1051 83.45504 6.808161 90.15952 5.524260 -6.704483 
8.767468 
1 1 1 12  -10 9  o 79.71262 4.545822  1355.850       150.8379 1289.011       
225.2297 1410.208       203.1144 77.85558 6.890600 81.56966 5.931071 -3.714073 
9.091643 
1 1 1 12  -10 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -10 11 o 84.91267 4.866918  1534.169       172.5770 1519.745       
256.9762 1546.019       232.9154 84.49110 7.244411 85.33424 6.501236 
-0.8431396     9.733836 
1 1 1 12  -10 12 o 188.5036 8.176364  7735.334       647.0496 7654.625       
915.4279 7815.917       914.7053 187.4818 11.63017 189.5253 11.49569 -2.043549 
16.35273 
1 1 1 12  -10 13 o 70.89989 5.204849  1061.933       154.1779 1198.368       
231.5374 953.2437       206.6583 74.95217 7.357969 66.84761 7.363565 8.104561 
10.40970 
1 1 1 12  -10 14 f 84.19470 4.765991  1520.648       167.1277 1423.373       
247.4807 1602.205       226.6051 81.60709 7.223280 86.78230 6.219558 -5.175209 
9.531981 
1 1 1 12  -10 15 o 28.69572 7.338828  146.5899       120.8608 15.22857       
191.5884 233.4200       155.7653 24.73758 10.52440 32.65386 10.23086 -7.916283 
14.67766 
1 1 1 12  -10 16 o 70.02025 5.584754  1066.502       161.1588 1031.745       
250.5947 1091.015       210.4511 68.82468 8.672591 71.21583 7.038754 -2.391151 
11.16951 
1 1 1 12  -10 17 o 119.2063 5.270852  3076.756       260.9838 3095.275       
399.3535 3062.950       344.8002 119.2490 7.976708 119.1635 6.891999 
0.8551788E-01  10.54170 
1 1 1 12  -10 18 f 61.54813 5.798160  799.8082       146.4600 1083.608       
232.0852 611.9929       188.8022 70.38875 7.853537 52.70751 8.532092 17.68124 
11.59632 
1 1 1 12  -10 19 f 26.34394 7.344826  38.37231       129.2998 242.6708       
201.5009 -104.6326      168.5853 33.23580 11.65218 19.45207 8.944978 13.78373 
14.68965 
1 1 1 12  -10 20 o 36.10349 7.699778  314.2444       123.6464 289.6654       
212.0288 326.9105       152.2068 35.11338 11.98159 37.09359 9.674087 -1.980206 
15.39956 
1 1 1 12  -10 21 f 53.70960 5.639228  643.5323       126.3528 742.5241       
191.2314 566.8300       168.3310 57.34464 7.943055 50.07457 8.006964 7.270061 
11.27846 
1 1 1 12  -10 22 o 21.39197 6.483448  8.789480       109.5322 -108.3825      
168.7128 94.15852       144.0079 18.87323 8.782174 23.91072 9.540115 -5.037487 
12.96690 
1 1 1 12  -10 23 o 26.21026 7.334634  133.3773       119.1052 119.8269       
161.6925 149.4520       176.1098 25.38373 10.11485 27.03679 10.62436 -1.653057 
14.66927 
1 1 1 12  -10 24 o 18.74143 6.229878  -114.8616      123.8792 -150.7855      
196.4669 -91.15345      159.6051 19.19139 9.088497 18.29147 8.523189 0.8999214 
12.45976 
1 1 1 12  -10 25 o 34.66453 8.299662  334.5696       146.7529 459.2456       
219.7946 234.2802       197.1302 39.49523 12.10891 29.83383 11.35394 9.661402 
16.59932 
1 1 1 12  -10 26 o 41.84586 6.579213  568.0038       117.6150 209.7914       
226.9400 699.5530       137.5260 28.48789 11.74451 55.20383 5.933851 -26.71594 
13.15843 
1 1 1 12  -10 27 o 56.11865 6.932837  880.3590       126.9487 813.1006       
266.8983 900.0244       144.3194 49.73750 12.72817 62.49980 5.500055 -12.76230 
13.86567 
1 1 1 12  -10 28 o 28.23861 7.173422  233.3010       98.71181 319.1548       
195.5301 203.9357       114.3541 29.92744 11.33164 26.54979 8.799192 3.377653 
14.34684 
1 1 1 12  -9  0  o 220.0593 5.241394  10148.21       468.6117 9889.604       
588.9123 10594.60       773.7216 216.4569 6.480377 223.6616 8.239755 -7.204712 
10.48279 
1 1 1 12  -9  1  f 208.3895 5.430469  9148.984       463.8076 9008.181       
592.6145 9371.578       745.1124 206.5011 6.835512 210.2780 8.440126 -3.776962 
10.86094 
1 1 1 12  -9  2  o 109.9377 4.292833  2550.303       197.8386 2548.051       
272.3496 2552.819       287.8668 109.9020 5.902583 109.9734 6.234835 
-0.7138824E-01 8.585666 
1 1 1 12  -9  3  f 60.05826 4.429543  759.6013       111.5206 724.4619       
152.6798 799.7901       163.2814 58.57646 6.208396 61.54006 6.319749 -2.963596 
8.859086 
1 1 1 12  -9  4  o 70.80714 4.473709  1063.242       132.2787 939.1329       
187.3611 1186.583       186.7809 66.64445 6.696326 74.96984 5.934266 -8.325394 
8.947418 
1 1 1 12  -9  5  o 182.1743 5.354660  7020.969       408.0574 6855.495       
551.2988 7221.474       606.8540 179.8702 7.300435 184.4783 7.835379 -4.608047 
10.70932 
1 1 1 12  -9  6  o 182.0600 6.402375  7118.496       479.6430 6793.260       
747.1099 7346.532       625.5889 178.1906 9.986673 185.9294 8.014235 -7.738831 
12.80475 
1 1 1 12  -9  7  f 75.97261 4.321570  1212.269       137.2584 1126.076       
184.0585 1320.256       206.0176 72.96262 6.008646 78.98260 6.212894 -6.019981 
8.643141 
1 1 1 12  -9  8  o 96.88290 4.230016  1973.401       171.2915 2127.914       
257.4792 1850.722       229.4260 100.2434 6.117968 93.52235 5.843167 6.721092 
8.460032 
1 1 1 12  -9  9  o 165.9704 6.204085  5922.071       414.5635 5800.520       
687.6370 5991.478       519.6132 164.1577 9.977435 167.7830 7.376550 -3.625244 
12.40817 
1 1 1 12  -9  10 o 147.3838 5.285088  4625.895       325.4121 4598.254       
438.4466 4659.795       485.5550 147.0002 7.104277 147.7674 7.826740 
-0.7671967     10.57018 
1 1 1 12  -9  11 o 116.5861 6.285797  2884.232       307.6707 0.000000       
0.000000 2884.232       307.6707 ?        ?        116.5861 6.285797 ? ? 
1 1 1 12  -9  12 o 78.05443 6.466344  1293.327       211.9021 1293.327       
211.9021 0.000000       0.000000 78.05443 6.466344 ?        ?        ? ? 
1 1 1 12  -9  13 o 56.42838 5.644820  686.7330       132.3091 592.2446       
191.1407 773.6571       183.3302 52.57948 8.658806 60.27728 7.244382 -7.697803 
11.28964 
1 1 1 12  -9  14 o 74.17661 4.795095  1149.241       146.3626 1275.653       
235.9410 1070.167       186.6068 77.35903 7.264629 70.99417 6.260743 6.364861 
9.590190 
1 1 1 12  -9  15 o 150.8546 5.376615  4847.687       339.7179 4504.613       
462.1649 5250.928       501.0555 145.0820 7.587602 156.6273 7.619727 -11.54533 
10.75323 
1 1 1 12  -9  16 o 90.21455 5.288126  1723.475       198.8936 1982.833       
303.0646 1527.263       263.6020 96.08459 7.512813 84.34453 7.444110 11.74006 
10.57625 
1 1 1 12  -9  17 o 24.67242 7.268067  44.39010       123.9373 -58.85025      
217.1910 94.24061       150.9218 24.03535 10.68115 25.30950 9.859628 -1.274149 
14.53613 
1 1 1 12  -9  18 o 81.40059 5.000116  1431.131       170.8650 1419.885       
242.4703 1442.224       240.8174 81.06572 7.124302 81.73546 7.017759 
-0.6697388     10.00023 
1 1 1 12  -9  19 o 29.90277 7.430265  186.1393       115.2557 165.1601       
178.1662 201.2366       151.1401 29.40724 10.88591 30.39829 10.11595 
-0.9910507     14.86053 
1 1 1 12  -9  20 o 59.32859 5.676732  777.1572       140.6150 784.0009       
210.3658 771.6298       189.0561 59.41064 8.433968 59.24655 7.600614 0.1640854 
11.35346 
1 1 1 12  -9  21 o 27.98277 7.159687  156.9937       114.1775 233.3734       
149.2631 49.26599       177.2668 31.66933 10.03002 24.29622 10.21974 7.373114 
14.31937 
1 1 1 12  -9  22 o 23.35772 6.656058  -7.093648      116.6777 204.7506       
168.7631 -201.0755      161.4915 30.09234 10.65230 16.62310 7.983791 13.46924 
13.31212 
1 1 1 12  -9  23 o 24.85585 7.333053  77.42987       125.8868 98.95874       
194.5101 61.91237       165.1363 26.13692 10.83189 23.57477 9.887607 2.562143 
14.66611 
1 1 1 12  -9  24 o 41.68498 7.645902  443.4008       135.8632 345.6153       
180.6497 570.7336       206.1437 36.31621 10.94667 47.05375 10.67753 -10.73754 
15.29180 
1 1 1 12  -9  25 o 19.16660 6.390963  -128.9477      133.1578 -150.2350      
206.9000 -113.8960      173.9772 19.72102 9.333355 18.61217 8.733047 1.108845 
12.78193 
1 1 1 12  -9  26 o 28.56190 6.479655  225.4197       108.7208 -99.54342      
222.5202 327.3199       124.6063 21.06600 9.882990 36.05779 8.382733 -14.99179 
12.95931 
1 1 1 12  -9  27 o 30.87891 7.161798  94.61138       110.5112 623.4275       
234.7360 -55.97245      125.2612 45.23368 12.11464 16.52413 7.642042 28.70956 
14.32360 
1 1 1 12  -9  28 o 24.26909 6.959427  122.2255       101.1175 241.3757       
190.1404 75.23959       119.4019 28.17247 11.04793 20.36572 8.466274 7.806744 
13.91885 
1 1 1 12  -9  29 o 34.79946 7.723544  391.4133       127.4077 561.2349       
200.8848 277.1330       164.7921 40.75546 11.33496 28.84345 10.49435 11.91200 
15.44709 
1 1 1 12  -8  0  o 76.61636 3.805918  1232.535       113.4932 1226.441       
136.7405 1246.028       203.4733 76.35875 4.265397 76.87399 6.304478 
-0.5152359     7.611836 
1 1 1 12  -8  1  o 261.1638 5.958770  14177.55       600.1369 13798.94       
714.2826 15086.40       1106.684 255.7388 6.652647 266.5887 9.887875 -10.84991 
11.91754 
1 1 1 12  -8  2  o 289.2137 9.113036  17894.96       1096.691 17806.24       
1456.086 18011.28       1667.165 288.7575 12.01088 289.6699 13.70870 
-0.9124451     18.22607 
1 1 1 12  -8  3  o 123.0181 5.082014  3194.543       262.2873 3276.211       
379.6768 3119.990       362.7617 124.5121 7.263124 121.5241 7.110169 2.988007 
10.16403 
1 1 1 12  -8  4  o 36.41989 5.957431  253.7867       103.9486 530.7449       
158.5941 45.19482       137.6348 50.08974 7.541526 22.75003 9.224387 27.33971 
11.91486 
1 1 1 12  -8  5  o 145.3110 5.769656  4425.850       348.9921 4851.415       
537.5560 4115.796       458.8376 151.2273 8.466707 139.3947 7.840319 11.83261 
11.53931 
1 1 1 12  -8  6  o 129.5000 4.606420  3562.353       246.6312 3654.377       
324.2864 3436.095       379.8436 131.5765 5.870450 127.4234 7.100299 4.153107 
9.212840 
1 1 1 12  -8  7  o 206.3978 7.504246  9152.462       645.3547 8854.929       
964.5490 9393.607       868.3510 203.0728 11.31341 209.7228 9.862128 -6.650024 
15.00849 
1 1 1 12  -8  8  o 110.6892 4.185166  2540.737       190.3242 2367.520       
241.8679 2822.399       308.4224 105.8883 5.440655 115.4901 6.360953 -9.601768 
8.370332 
1 1 1 12  -8  9  o 138.3615 5.342049  4066.072       287.3808 4078.751       
514.5876 4060.324       346.4398 138.1906 8.869557 138.5325 5.956583 
-0.3419189     10.68410 
1 1 1 12  -8  10 o 28.42206 7.142596  152.2123       107.1227 122.6581       
165.1445 173.6805       140.7512 27.64061 10.42920 29.20352 9.762094 -1.562912 
14.28519 
1 1 1 12  -8  11 o 33.91972 7.263582  204.7790       116.6382 411.6856       
194.4427 88.47947       145.7785 42.80054 10.81129 25.03890 9.703321 17.76164 
14.52716 
1 1 1 12  -8  12 o 26.90588 7.165327  55.30382       129.9232 -181.9919      
195.5385 242.8718       173.8468 20.04348 9.376087 33.76829 10.83774 -13.72481 
14.33065 
1 1 1 12  -8  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -8  14 o 144.7577 4.929250  4331.978       290.7634 4969.161       
484.6590 3973.685       363.4317 152.6734 7.561257 136.8420 6.325931 15.83138 
9.858500 
1 1 1 12  -8  15 o 131.0296 5.777585  3628.486       308.2752 3858.716       
507.7248 3494.050       387.9764 134.0074 9.024447 128.0517 7.216737 5.955688 
11.55517 
1 1 1 12  -8  16 o 73.58086 4.972373  1105.687       150.0512 1409.905       
246.3320 926.2104       189.2051 81.24950 7.221398 65.91221 6.837352 15.33730 
9.944746 
1 1 1 12  -8  17 o 110.0117 4.637442  2621.716       209.3394 2386.452       
323.8129 2790.644       274.3892 105.4809 7.312090 114.5426 5.705857 -9.061752 
9.274883 
1 1 1 12  -8  18 o 115.8108 5.325998  2887.288       256.0035 2941.560       
394.1714 2847.695       336.6763 116.5217 8.057481 115.0998 6.967211 1.421890 
10.65200 
1 1 1 12  -8  19 o 50.31549 7.005484  544.8528       148.7576 1012.061       
232.0997 219.1344       193.7941 68.14654 8.112447 32.48444 11.42346 35.66209 
14.01097 
1 1 1 12  -8  20 o 55.44638 6.696514  695.1074       151.6882 676.0463       
223.6455 711.3463       206.4268 54.12104 10.21591 56.77173 8.660739 -2.650692 
13.39303 
1 1 1 12  -8  21 o 40.52407 7.381028  388.4474       126.5220 422.0963       
183.0486 357.6658       175.0758 42.20443 10.38720 38.84372 10.48925 3.360710 
14.76206 
1 1 1 12  -8  22 o 32.01469 7.337511  242.0355       118.1715 313.1195       
151.1307 130.1998       189.5645 36.24933 9.726240 27.78004 10.98893 8.469294 
14.67502 
1 1 1 12  -8  23 o 89.70885 4.936481  1784.052       183.9147 1459.185       
251.8655 2155.138       269.1870 80.64697 7.438781 98.77073 6.491529 -18.12376 
9.872963 
1 1 1 12  -8  24 o 46.55914 6.858532  527.6974       132.3913 398.9567       
183.4763 667.5391       191.2231 39.54843 10.76417 53.56986 8.502386 -14.02143 
13.71706 
1 1 1 12  -8  25 o 73.18352 5.590563  1250.768       171.2387 1208.727       
248.7798 1288.620       236.0570 71.67188 8.267753 74.69517 7.527407 -3.023293 
11.18113 
1 1 1 12  -8  26 o 28.54262 6.912323  212.9410       105.3750 75.07626       
199.2572 266.4675       124.1573 24.61794 10.61004 32.46729 8.862730 -7.849350 
13.82465 
1 1 1 12  -8  27 o 30.55291 6.913451  266.3759       111.0076 86.66721       
206.9808 338.9384       131.5231 24.72371 10.73649 36.38211 8.712695 -11.65841 
13.82690 
1 1 1 12  -8  28 o 28.52332 7.215872  213.2917       102.3602 261.8982       
190.7906 193.6461       121.2947 29.98149 11.23166 27.06514 9.062287 2.916346 
14.43174 
1 1 1 12  -8  29 o 62.84808 6.454766  1116.878       145.9568 896.1157       
250.4340 1230.438       179.6161 53.58226 11.46560 72.11390 5.932631 -18.53164 
12.90953 
1 1 1 12  -8  30 o 26.08725 7.970803  208.8398       139.3939 295.1191       
328.7637 189.9297       153.9133 27.18980 12.49822 24.98470 9.895927 2.205099 
15.94161 
1 1 1 12  -7  0  o 58.51658 4.044536  732.6184       95.88386 769.3213       
122.4142 674.3548       154.2342 60.47005 4.821838 56.56311 6.494842 3.906948 
8.089072 
1 1 1 12  -7  1  o 32.58863 7.078960  225.3977       106.0786 215.7846       
153.8477 234.1099       146.4605 32.13906 10.18331 33.03821 9.836002 
-0.8991508     14.15792 
1 1 1 12  -7  2  o 190.4545 6.241601  7674.714       498.7185 7654.572       
691.9357 7696.490       719.4583 190.2222 8.664143 190.6868 8.986821 
-0.4645538     12.48320 
1 1 1 12  -7  3  o 150.1428 5.529667  4770.441       347.9854 4925.699       
483.6894 4603.860       501.0193 152.7130 7.544170 147.5725 8.086679 5.140579 
11.05933 
1 1 1 12  -7  4  o 218.2743 6.580374  10041.16       584.7894 10344.10       
957.3453 9860.843       738.6033 220.6340 10.33516 215.9146 8.147987 4.719391 
13.16075 
1 1 1 12  -7  5  f 124.7130 4.740297  3281.803       241.4011 3288.745       
389.7124 3277.481       307.4983 124.7397 7.441503 124.6862 5.874154 
0.5345154E-01  9.480594 
1 1 1 12  -7  6  o 115.4672 3.969334  2804.730       192.0437 2721.269       
262.0186 2901.608       282.2951 113.6256 5.492589 117.3089 5.731833 -3.683334 
7.938667 
1 1 1 12  -7  7  o 118.5415 4.734092  3004.621       230.5355 2783.210       
357.8415 3161.719       301.4228 114.6721 7.432827 122.4110 5.865117 -7.738899 
9.468184 
1 1 1 12  -7  8  o 244.8093 8.203165  12943.30       817.5325 13203.37       
1043.134 12529.22       1316.255 248.7166 9.989789 240.9020 13.01429 7.814575 
16.40633 
1 1 1 12  -7  9  o 86.40350 4.740095  1616.706       166.1373 1420.975       
262.2442 1747.929       214.7239 81.82677 7.633637 90.98023 5.621528 -9.153465 
9.480189 
1 1 1 12  -7  10 o 123.1482 5.286951  3221.452       272.9997 3219.757       
396.0574 3222.987       376.8203 123.0805 7.664605 123.2159 7.284314 
-0.1353378     10.57390 
1 1 1 12  -7  11 o 68.59383 4.710032  995.9036       134.5695 1015.946       
204.3825 980.5659       178.7941 69.15961 7.039022 68.02804 6.260173 1.131569 
9.420064 
1 1 1 12  -7  12 o 75.73811 4.683708  1225.546       147.9455 1351.325       
205.9574 1091.451       212.6565 79.83829 6.144508 71.63792 7.070607 8.200378 
9.367415 
1 1 1 12  -7  13 o 38.61380 7.769191  328.0286       130.5056 359.5841       
203.1761 305.8649       170.2772 40.13520 11.47687 37.09240 10.47486 3.042805 
15.53838 
1 1 1 12  -7  14 o 90.96867 4.959527  1757.023       188.5623 1793.263       
281.4966 1727.526       253.9592 91.76717 7.306459 90.17019 6.708447 1.596977 
9.919053 
1 1 1 12  -7  15 o 162.3772 10.84579  5711.680       739.3756 5711.680       
739.3756 0.000000       0.000000 162.3772 10.84579 ?        ?        ? ? 
1 1 1 12  -7  16 o 203.9108 7.083044  9108.707       586.9780 9556.368       
753.8630 8419.422       935.4420 211.1681 8.503254 196.6534 11.33017 14.51469 
14.16609 
1 1 1 12  -7  17 o 42.08228 7.287574  391.9017       127.7639 485.4985       
193.5327 319.5997       170.0981 46.42812 10.20553 37.73643 10.40586 8.691696 
14.57515 
1 1 1 12  -7  18 o 45.97823 7.544663  480.5581       142.4608 468.8087       
192.4263 494.8088       211.9218 45.43036 10.32099 46.52608 11.00750 -1.095722 
15.08933 
1 1 1 12  -7  19 o 94.08946 5.228096  1913.539       205.5637 1858.309       
302.9430 1960.670       279.8503 92.69225 7.784639 95.48668 6.980783 -2.794434 
10.45619 
1 1 1 12  -7  20 o 88.80970 5.679631  1720.040       211.3919 1837.432       
299.3697 1603.300       298.5387 91.94475 7.755359 85.67465 8.299834 6.270096 
11.35926 
1 1 1 12  -7  21 o 86.92273 5.034945  1624.202       181.9632 1518.990       
238.4233 1770.975       281.6030 83.72692 6.782731 90.11855 7.442934 -6.391624 
10.06989 
1 1 1 12  -7  22 o 90.98080 4.814178  1780.512       180.0361 1684.591       
229.6850 1933.349       289.9301 88.14197 6.206847 93.81964 7.360726 -5.677673 
9.628356 
1 1 1 12  -7  23 o 44.11638 7.227835  484.9669       139.7406 662.3893       
188.6648 269.3316       207.9919 54.24000 8.284994 33.99276 11.84590 20.24724 
14.45567 
1 1 1 12  -7  24 o 23.69650 7.102890  32.67421       128.0059 -85.15860      
196.5728 119.4286       168.6693 21.23217 9.719618 26.16083 10.36018 -4.928661 
14.20578 
1 1 1 12  -7  25 o 25.09372 7.399523  63.13435       136.9690 172.3279       
187.1447 -62.83110      201.0040 28.48093 11.00305 21.70650 9.896695 6.774424 
14.79905 
1 1 1 12  -7  26 o 35.50714 7.191852  319.4452       106.1618 335.8824       
199.3516 312.9385       125.4263 35.30042 11.61788 35.71387 8.480325 
-0.4134598     14.38370 
1 1 1 12  -7  27 o 28.35905 7.235910  196.9132       102.3861 195.4500       
204.0940 197.4052       118.3566 28.67127 11.38307 28.04683 8.936408 0.6244411 
14.47182 
1 1 1 12  -7  28 o 34.61512 6.757930  341.6718       101.0036 245.0040       
193.6485 377.7983       118.3820 29.87167 11.28683 39.35857 7.435449 -9.486893 
13.51586 
1 1 1 12  -7  29 o 24.38232 6.629923  139.0599       107.4217 -42.76538      
190.4876 223.8474       130.0785 20.17968 9.367562 28.58496 9.384684 -8.405279 
13.25985 
1 1 1 12  -7  30 o 22.56330 7.288086  78.61365       133.1533 27.55075       
315.0820 89.71567       146.9169 23.72241 11.33478 21.40419 9.164472 2.318224 
14.57617 
1 1 1 12  -6  0  o 241.6423 6.606304  12280.03       627.2004 12154.12       
761.1054 12546.46       1107.160 240.0350 7.552510 243.2496 10.84125 -3.214584 
13.21261 
1 1 1 12  -6  1  o 388.1291 12.69776  32530.54       1929.655 32561.57       
2343.672 32465.23       3400.044 390.3668 14.30029 385.8913 20.98653 4.475525 
25.39553 
1 1 1 12  -6  2  o 323.5226 10.96167  22497.15       1471.664 22099.60       
2246.646 22795.94       1947.712 320.4640 16.69846 326.5813 14.20543 -6.117310 
21.92334 
1 1 1 12  -6  3  f 110.5390 4.161568  2567.146       192.8119 2677.406       
282.7464 2471.305       263.6123 112.7469 5.973289 108.3311 5.796068 4.415779 
8.323135 
1 1 1 12  -6  4  o 67.48185 4.530109  966.4193       127.2458 829.3735       
181.2262 1099.680       178.7058 62.70950 6.883492 72.25420 5.891102 -9.544697 
9.060218 
1 1 1 12  -6  5  o 282.0417 10.31254  17019.32       1212.786 16608.55       
1615.088 17550.41       1836.430 278.4728 13.81448 285.6106 15.31515 -7.137817 
20.62507 
1 1 1 12  -6  6  o 130.1618 4.416277  3537.986       235.9010 3416.362       
300.8667 3732.080       380.0746 127.3407 5.627659 132.9829 6.807602 -5.642159 
8.832554 
1 1 1 12  -6  7  o 28.88638 6.784073  147.4113       102.6676 263.7092       
150.6471 46.55030       140.2931 34.77625 9.862831 22.99652 9.317680 11.77974 
13.56815 
1 1 1 12  -6  8  o 117.3602 4.592680  2898.143       221.6239 2858.166       
284.9892 2959.312       352.5180 116.4072 5.831358 118.3132 7.096910 -1.905975 
9.185361 
1 1 1 12  -6  9  o 184.8657 6.492097  7271.729       447.3392 7266.429       
858.9904 7273.701       524.0035 184.2530 11.10439 185.4785 6.729174 -1.225433 
12.98419 
1 1 1 12  -6  10 o 78.29938 4.502404  1297.890       147.5133 1167.399       
207.1717 1432.082       210.0895 74.27751 6.643458 82.32125 6.078737 -8.043739 
9.004808 
1 1 1 12  -6  11 o 178.8370 6.435448  6870.616       473.0085 7049.801       
614.3997 6609.866       741.1610 182.0480 8.038704 175.6259 10.05183 6.422104 
12.87090 
1 1 1 12  -6  12 o 189.0396 6.642066  7613.505       464.5839 7564.894       
541.2577 7749.555       905.4819 188.8046 6.828300 189.2747 11.39484 
-0.4700775     13.28413 
1 1 1 12  -6  13 o 85.52692 4.711924  1566.814       167.5705 1691.570       
228.1245 1420.612       246.9550 89.33858 6.082105 81.71527 7.198396 7.623306 
9.423848 
1 1 1 12  -6  14 o 90.41772 5.384870  1745.402       204.1791 1812.190       
286.1037 1676.083       291.4770 92.22385 7.389267 88.61160 7.834924 3.612251 
10.76974 
1 1 1 12  -6  15 o 62.87564 5.260834  855.3156       136.0662 763.6811       
207.4904 924.4534       180.2297 59.76595 8.269233 65.98533 6.505789 -6.219379 
10.52167 
1 1 1 12  -6  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -6  17 o 63.65907 5.929784  868.7048       158.1246 797.6961       
222.3917 941.3066       224.8728 60.97957 8.686710 66.33858 8.074058 -5.359009 
11.85957 
1 1 1 12  -6  18 o 67.64014 5.454432  981.2137       154.6155 950.8531       
223.1814 1009.232       214.4015 66.58485 7.983690 68.69542 7.433975 -2.110573 
10.90886 
1 1 1 12  -6  19 o 89.03935 5.500462  1663.780       202.9893 2059.053       
316.2377 1386.797       264.7232 97.83118 7.699408 80.24752 7.857446 17.58366 
11.00092 
1 1 1 12  -6  20 o 138.4612 6.489240  4078.447       366.8087 4710.994       
608.4252 3717.256       459.7579 146.1763 9.914056 130.7461 8.375705 15.43015 
12.97848 
1 1 1 12  -6  21 o 32.12931 7.242326  183.5017       128.5875 402.9557       
185.3254 -20.22985      178.5634 41.64183 10.57649 22.61680 9.896621 19.02503 
14.48465 
1 1 1 12  -6  22 o 77.08242 4.950213  1249.157       157.5155 1018.233       
203.1762 1597.044       249.3775 68.41820 7.073302 85.74664 6.927255 -17.32845 
9.900427 
1 1 1 12  -6  23 o 129.6060 5.632300  3729.997       303.7629 3760.352       
405.2231 3691.059       458.9467 130.6964 7.385017 128.5156 8.506041 2.180847 
11.26460 
1 1 1 12  -6  24 o 37.23717 7.604317  336.4620       127.0342 269.1968       
177.1528 407.6640       182.2632 33.60563 10.95194 40.86871 10.55261 -7.263077 
15.20863 
1 1 1 12  -6  25 f 44.41229 6.420463  522.7996       107.6141 330.8320       
193.8987 608.2526       129.3674 36.19246 11.42862 52.63212 5.854569 -16.43966 
12.84093 
1 1 1 12  -6  26 o 20.73034 6.324526  7.490743       106.3300 -296.4291      
223.4713 96.43315       120.8917 18.62988 9.048569 22.83081 8.838661 -4.200933 
12.64905 
1 1 1 12  -6  27 o 57.76347 6.444446  860.9866       124.4054 717.2328       
247.7095 909.4754       143.8647 51.43152 11.72780 64.09541 5.346241 -12.66389 
12.88889 
1 1 1 12  -6  28 o 39.26772 7.043655  380.1700       106.2982 482.3075       
206.1985 343.2021       124.0524 41.32786 11.48054 37.20758 8.163915 4.120285 
14.08731 
1 1 1 12  -6  29 o 22.78684 6.656257  25.51692       95.74496 249.7875       
188.7536 -52.17949      111.0988 29.88758 11.17647 15.68609 7.232533 14.20149 
13.31251 
1 1 1 12  -6  30 o 18.58498 6.057115  -55.72794      115.9998 -270.2303      
201.4024 50.75162       141.8998 16.71398 8.233088 20.45597 8.886553 -3.741999 
12.11423 
1 1 1 12  -6  31 o 22.76538 7.484698  82.85277       138.1163 11.07331       
401.4157 92.49157       147.0977 24.24447 11.85209 21.28629 9.143895 2.958178 
14.96940 
1 1 1 12  -5  0  o 85.61591 4.296922  1500.214       151.1735 1750.601       
246.2699 1348.814       191.4993 91.17398 6.433710 80.05783 5.697501 11.11615 
8.593843 
1 1 1 12  -5  1  o 69.53564 4.471638  1022.465       127.8180 1039.984       
165.5555 996.6138       201.1121 70.29939 5.609359 68.77190 6.965434 1.527481 
8.943275 
1 1 1 12  -5  2  o 230.0376 7.351587  11198.92       688.1998 11231.03       
1120.829 11179.48       871.9132 230.0575 11.60444 230.0177 9.028862 
0.3976440E-01  14.70317 
1 1 1 12  -5  3  f 208.9169 5.750902  9191.599       503.3977 8900.435       
686.4038 9530.460       740.4930 205.3691 7.960964 212.4646 8.301477 -7.095520 
11.50180 
1 1 1 12  -5  4  o 24.50438 6.825322  52.10239       108.8645 -43.63729      
157.2045 140.3217       150.9040 20.96459 9.228886 28.04416 10.05822 -7.079565 
13.65064 
1 1 1 12  -5  5  o 44.32926 6.220665  426.6397       113.3185 336.3629       
159.5036 518.6417       161.0203 39.08994 9.742653 49.56858 7.737402 -10.47864 
12.44133 
1 1 1 12  -5  6  o 24.83133 6.904246  68.46241       106.5043 116.1922       
154.9126 25.67954       146.6651 27.04463 10.12280 22.61803 9.391669 4.426596 
13.80849 
1 1 1 12  -5  7  o 100.5546 4.538558  2080.950       186.5013 1924.836       
234.4447 2350.012       307.7832 95.58001 5.842442 105.5292 6.946934 -9.949234 
9.077115 
1 1 1 12  -5  8  o 146.3129 6.163458  4529.302       378.3176 4680.091       
548.2482 4392.235       522.7090 148.6240 8.786369 144.0018 8.645956 4.622147 
12.32692 
1 1 1 12  -5  9  f 156.7116 5.393995  5256.218       340.1698 4976.164       
560.2066 5419.792       428.1384 153.1803 8.710970 160.2430 6.363942 -7.062744 
10.78799 
1 1 1 12  -5  10 o 111.9896 4.765530  2642.020       223.2315 2551.830       
300.9475 2752.346       332.8522 109.8966 6.522700 114.0825 6.949496 -4.185905 
9.531060 
1 1 1 12  -5  11 o 160.1522 6.022395  5456.120       399.4334 5470.953       
524.1267 5435.570       616.9169 160.5814 7.774315 159.7231 9.199837 0.8583374 
12.04479 
1 1 1 12  -5  12 o 167.6330 7.031315  6017.195       482.6911 6017.021       
618.4686 6017.466       772.0544 167.9969 8.768748 167.2691 10.99394 0.7277222 
14.06263 
1 1 1 12  -5  13 o 110.7372 5.438405  2609.088       252.7976 2636.685       
361.4488 2582.661       353.6968 111.3017 7.735104 110.1727 7.646774 1.128983 
10.87681 
1 1 1 12  -5  14 o 50.00637 7.013639  585.8445       144.4940 269.9695       
209.0822 874.6324       199.9166 35.92193 11.89804 64.09081 7.429749 -28.16888 
14.02728 
1 1 1 12  -5  15 o 115.6675 4.940817  2824.025       221.9617 2904.949       
400.6765 2788.196       266.6083 116.5681 8.187199 114.7670 5.533216 1.801048 
9.881635 
1 1 1 12  -5  16 o 78.73369 4.988018  1285.833       162.0170 1496.433       
260.2327 1152.532       207.0367 83.81467 7.395421 73.65270 6.695448 10.16196 
9.976035 
1 1 1 12  -5  17 o 85.00974 6.390645  1533.896       228.0827 0.000000       
0.000000 1533.896       228.0827 ?        ?        85.00974 6.390645 ? ? 
1 1 1 12  -5  18 o 153.9004 7.072056  5093.635       454.9792 5377.741       
682.0901 4865.895       610.6900 157.6108 10.30806 150.1900 9.685029 7.420807 
14.14411 
1 1 1 12  -5  19 o 94.60399 5.495459  1926.769       217.2634 1761.399       
312.2081 2082.049       302.5340 90.53613 8.213786 98.67184 7.303011 -8.135719 
10.99092 
1 1 1 12  -5  20 o 90.09058 5.038296  1741.178       190.5543 1766.077       
270.7448 1716.738       268.2417 90.73359 7.107439 89.44757 7.142969 1.286018 
10.07659 
1 1 1 12  -5  21 o 150.1490 5.295663  4703.521       313.8748 4397.847       
378.4806 5376.764       561.6940 143.2468 6.293318 157.0512 8.518822 -13.80441 
10.59133 
1 1 1 12  -5  22 o 56.43824 5.572950  702.3478       130.4020 776.2336       
178.0943 616.9529       191.4632 59.87700 7.084530 52.99949 8.604681 6.877502 
11.14590 
1 1 1 12  -5  23 o 98.82166 5.143179  2133.294       213.2344 2061.586       
303.1766 2203.492       299.9669 97.09048 7.437726 100.5528 7.105588 -3.462364 
10.28636 
1 1 1 12  -5  24 o 42.26805 7.211546  427.1478       126.7206 390.8482       
181.5731 461.6173       176.9368 40.33230 10.58825 44.20381 9.793598 -3.871513 
14.42309 
1 1 1 12  -5  25 o 30.77625 6.583710  239.3507       102.5743 40.48759       
189.2290 322.0971       122.0633 24.38791 10.42002 37.16459 8.050098 -12.77669 
13.16742 
1 1 1 12  -5  26 o 56.21255 5.264435  675.8524       112.2520 812.3838       
217.0633 626.0098       131.1507 59.09400 8.749113 53.33110 5.857484 5.762897 
10.52887 
1 1 1 12  -5  27 o 74.02014 4.690121  1273.649       134.4462 1119.932       
231.2215 1352.167       165.2537 69.43439 7.931854 78.60590 5.007456 -9.171509 
9.380241 
1 1 1 12  -5  28 o 91.43568 4.444451  1900.946       162.0876 1865.378       
272.7314 1920.370       201.5428 89.67007 7.244506 93.20129 5.150701 -3.531219 
8.888903 
1 1 1 12  -5  29 o 29.16909 7.609111  204.4346       111.4813 282.9991       
220.2638 177.3783       129.2598 31.70390 12.02034 26.63429 9.333045 5.069609 
15.21822 
1 1 1 12  -5  30 o 65.60535 5.203239  984.0886       133.7014 1200.086       
244.1122 891.5270       159.8015 69.17872 8.405005 62.03197 6.136014 7.146744 
10.40648 
1 1 1 12  -5  31 o 23.85862 8.000451  18.28316       125.5461 359.6002       
403.2057 -18.36059      132.1136 30.12804 13.84556 17.58920 8.020551 12.53884 
16.00090 
1 1 1 12  -5  32 o 21.67893 7.173200  57.80041       126.8071 17.10474       
359.3271 63.58961       135.5268 23.54779 11.44874 19.81007 8.645548 3.737715 
14.34640 
1 1 1 12  -4  0  o 422.3141 13.94073  38515.57       2458.156 38089.30       
3659.852 38865.93       3317.956 419.5520 20.77776 425.0763 18.59195 -5.524231 
27.88146 
1 1 1 12  -4  1  o 334.5916 8.266424  23704.58       1157.439 23402.47       
1570.299 24063.96       1712.686 332.3799 11.25301 336.8034 12.11218 -4.423523 
16.53285 
1 1 1 12  -4  2  o 209.3120 6.357816  9248.676       535.4463 9261.113       
895.6636 9241.759       667.9471 209.2448 10.19557 209.3792 7.598533 
-0.1343689     12.71563 
1 1 1 12  -4  3  o 185.6883 5.768917  7288.402       432.7319 7222.254       
715.4564 7326.559       543.3927 184.8944 9.216807 186.4821 6.940609 -1.587753 
11.53783 
1 1 1 12  -4  4  o 247.1812 6.644478  12919.24       689.1810 13082.67       
963.1802 12747.78       986.5377 248.8153 9.220439 245.5471 9.569736 3.268188 
13.28896 
1 1 1 12  -4  5  o 85.62697 4.408661  1545.998       158.2087 1505.815       
228.8416 1582.787       218.9666 84.55033 6.446749 86.70360 6.015363 -2.153267 
8.817322 
1 1 1 12  -4  6  o 134.4218 4.811458  3779.398       255.1556 3893.611       
447.9047 3724.527       310.4547 135.8228 7.854783 133.0208 5.559039 2.801926 
9.622916 
1 1 1 12  -4  7  o 22.99282 6.733734  15.88915       109.7041 -59.24232      
158.9601 84.21716       151.5921 20.60195 9.148777 25.38368 9.882942 -4.781723 
13.46747 
1 1 1 12  -4  8  o 22.74522 6.655762  -46.22328      113.3499 135.2720       
171.8031 -186.1243      150.8373 28.74563 10.67999 16.74480 7.945724 12.00083 
13.31152 
1 1 1 12  -4  9  o 86.27113 4.427838  1572.949       159.6895 1528.218       
235.0685 1611.282       217.6106 85.10933 6.578672 87.43292 5.928244 -2.323593 
8.855677 
1 1 1 12  -4  10 o 211.8464 8.757051  9608.589       775.3054 9646.890       
1153.363 9577.015       1047.204 212.0325 12.95640 211.6604 11.78454 0.3720703 
17.51410 
1 1 1 12  -4  11 o 153.9328 6.410842  5014.256       404.5055 4937.370       
517.0496 5135.554       649.4335 152.6146 8.069695 155.2510 9.963716 -2.636383 
12.82168 
1 1 1 12  -4  12 o 66.88437 4.913558  894.8188       133.8638 735.3043       
166.5805 1185.617       224.9159 58.95101 6.730603 74.81773 7.160390 -15.86672 
9.827116 
1 1 1 12  -4  13 o 71.07289 5.172900  1064.553       153.5871 1143.473       
231.6209 1002.621       205.1840 73.38641 7.517671 68.75938 7.107757 4.627029 
10.34580 
1 1 1 12  -4  14 o 96.00972 4.705338  1882.057       180.6240 2192.602       
316.1487 1731.570       220.0791 101.5507 7.415313 90.46874 5.794306 11.08195 
9.410677 
1 1 1 12  -4  15 o 179.5912 6.117413  6900.880       461.0381 6618.240       
646.1786 7193.950       657.9945 175.8053 8.754710 183.3771 8.546696 -7.571808 
12.23483 
1 1 1 12  -4  16 o 53.01612 6.109608  628.3798       128.6649 513.1825       
194.4641 718.0742       171.5936 47.93956 9.990477 58.09268 7.035595 -10.15312 
12.21922 
1 1 1 12  -4  17 o 42.12610 7.334358  388.3473       136.8020 607.5053       
200.0052 195.6738       187.5312 52.41143 9.433181 31.84077 11.23327 20.57066 
14.66872 
1 1 1 12  -4  18 o 120.3859 5.683166  3085.026       286.6342 3270.094       
422.4866 2927.191       390.1641 123.6932 8.135573 117.0786 7.937629 6.614571 
11.36633 
1 1 1 12  -4  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  -4  20 o 38.04412 7.949914  328.2420       136.5205 370.0507       
177.4256 267.5641       213.7462 40.42977 10.39631 35.65848 12.03001 4.771290 
15.89983 
1 1 1 12  -4  21 o 28.80602 7.713508  138.2182       130.3800 191.1371       
169.4861 61.50658       204.0606 30.70758 10.69405 26.90444 11.11891 3.803141 
15.42702 
1 1 1 12  -4  22 o 124.0248 5.394522  3333.833       280.7732 3386.048       
393.5391 3279.699       400.7043 125.0819 7.494014 122.9677 7.761652 2.114243 
10.78904 
1 1 1 12  -4  23 o 21.64664 6.757090  -44.20921      122.8095 -116.5411      
177.6056 22.06158       170.0015 19.91802 9.168452 23.37527 9.928370 -3.457245 
13.51418 
1 1 1 12  -4  24 o 81.95760 4.914552  1472.339       166.4296 1416.578       
256.1023 1513.102       218.9697 80.31004 7.595645 83.60514 6.238385 -3.295097 
9.829103 
1 1 1 12  -4  25 o 31.40570 7.625741  153.7555       113.7368 399.4599       
225.1850 69.60772       131.7814 40.15682 12.24535 22.65457 9.091699 17.50225 
15.25148 
1 1 1 12  -4  26 o 59.82590 6.265625  898.9904       123.9745 699.5166       
246.7634 966.3384       143.3837 52.87224 11.44016 66.77956 5.114195 -13.90731 
12.53125 
1 1 1 12  -4  27 o 93.44065 4.385903  1943.208       156.7342 1923.510       
286.0148 1951.662       187.3728 92.01955 7.403370 94.86175 4.704751 -2.842194 
8.771806 
1 1 1 12  -4  28 o 57.52958 5.019103  692.4838       108.2335 912.8494       
217.1064 619.6037       124.8549 62.20756 8.312863 52.85160 5.626890 9.355961 
10.03821 
1 1 1 12  -4  29 f 38.04770 7.075088  347.2628       105.3624 477.2974       
201.5864 298.3885       123.5868 41.58782 11.26673 34.50757 8.560860 7.080254 
14.15018 
1 1 1 12  -4  30 o 29.73600 7.877600  226.4653       123.0341 288.0293       
234.3506 203.0401       144.5586 31.55455 12.28749 27.91745 9.861236 3.637094 
15.75520 
1 1 1 12  -4  31 o 32.10131 8.591154  292.1077       132.2409 409.5444       
344.0227 271.7467       143.2468 33.11903 14.09690 31.08359 9.823897 2.035440 
17.18231 
1 1 1 12  -4  32 o 20.82682 7.019454  -2.639297      127.9480 -37.86355      
345.5097 2.958864       137.7406 23.40022 11.33179 18.25343 8.287428 5.146788 
14.03891 
1 1 1 12  -3  0  o 81.39336 4.135858  1387.582       141.0021 1515.019       
207.2616 1277.785       192.3827 84.85758 5.817672 77.92913 5.880135 6.928452 
8.271716 
1 1 1 12  -3  1  o 29.05590 6.837932  132.8924       108.3390 288.5543       
159.2748 -1.142975      147.7970 36.40470 10.08255 21.70711 9.239663 14.69759 
13.67586 
1 1 1 12  -3  2  o 297.3768 7.304811  18680.92       911.4257 18208.57       
1261.881 19196.08       1317.840 293.4690 10.24182 301.2845 10.41855 -7.815460 
14.60962 
1 1 1 12  -3  3  o 204.3631 5.998837  8811.400       514.5144 8510.821       
724.9955 9116.394       730.2999 200.8378 8.598269 207.8884 8.367432 -7.050598 
11.99767 
1 1 1 12  -3  4  o 173.5667 5.896944  6342.358       421.6008 6422.896       
665.7123 6288.425       544.7742 174.4034 9.091860 172.7299 7.512249 1.673447 
11.79389 
1 1 1 12  -3  5  o 178.6015 5.837485  6828.986       419.4989 6369.469       
688.3232 7100.521       529.1198 173.6112 9.443561 183.5919 6.864700 -9.980713 
11.67497 
1 1 1 12  -3  6  o 178.8920 6.018976  6673.576       428.0618 6505.010       
523.6235 7013.209       743.2536 175.6840 7.099178 182.1001 9.721829 -6.416092 
12.03795 
1 1 1 12  -3  7  o 181.1792 5.662620  6937.073       422.6598 6882.517       
663.6902 6974.293       548.1955 180.4827 8.758927 181.8758 7.179292 -1.393127 
11.32524 
1 1 1 12  -3  8  o 109.5213 4.703153  2538.644       213.2168 2463.406       
327.6566 2593.904       280.8044 108.0680 7.221756 110.9745 6.027009 -2.906487 
9.406306 
1 1 1 12  -3  9  o 105.6698 4.553951  2346.794       200.3685 2408.217       
305.2199 2300.276       265.6174 106.8553 6.803587 104.4844 6.055170 2.370895 
9.107902 
1 1 1 12  -3  10 o 97.12926 4.891488  1997.903       196.8226 2034.207       
259.4938 1948.725       302.0193 98.21741 6.293028 96.04110 7.490289 2.176308 
9.782976 
1 1 1 12  -3  11 o 242.3731 9.560735  12618.79       951.1640 12587.21       
1223.265 12667.08       1512.649 242.5883 12.01080 242.1579 14.87855 0.4303894 
19.12147 
1 1 1 12  -3  12 f 84.85959 4.425594  1515.519       157.3958 1432.009       
215.0617 1611.842       230.9714 82.35368 6.220153 87.36550 6.297082 -5.011818 
8.851189 
1 1 1 12  -3  13 o 114.8116 4.963811  2808.714       237.6741 3095.891       
330.6831 2501.835       341.8382 120.9901 6.510036 108.6330 7.495141 12.35705 
9.927623 
1 1 1 12  -3  14 f 129.2101 4.739264  3560.842       251.6324 3414.321       
394.3358 3661.486       326.8211 126.8222 7.406140 131.5980 5.915368 -4.775818 
9.478528 
1 1 1 12  -3  15 o 142.6175 6.242496  4316.093       372.0447 4022.818       
497.7229 4687.460       560.0813 137.2230 8.639362 148.0119 9.013126 -10.78889 
12.48499 
1 1 1 12  -3  16 o 121.1980 5.756422  3145.835       291.9293 3011.262       
424.6581 3266.416       401.9757 118.6325 8.526223 123.7634 7.736218 -5.130859 
11.51284 
1 1 1 12  -3  17 o 193.8508 6.592512  8092.249       514.0212 8020.888       
856.8032 8132.373       642.4838 192.5188 10.60056 195.1827 7.840467 -2.663879 
13.18502 
1 1 1 12  -3  18 o 217.0999 8.470961  10254.26       771.2622 10811.14       
1121.844 9755.149       1062.068 222.6631 12.00066 211.5368 11.95880 11.12631 
16.94192 
1 1 1 12  -3  19 o 34.92210 8.018408  246.9595       138.3966 152.6498       
189.9776 353.6064       202.0218 30.02154 11.21541 39.82266 11.46273 -9.801115 
16.03682 
1 1 1 12  -3  20 o 44.44323 9.948727  443.5032       180.9701 0.000000       
0.000000 443.5032       180.9701 ?        ?        44.44323 9.948727 ? ? 
1 1 1 12  -3  21 o 37.49818 7.142104  320.8243       132.1883 514.6636       
174.9936 63.23112       201.7290 48.04454 9.008190 26.95184 11.08563 21.09270 
14.28421 
1 1 1 12  -3  22 o 71.02479 5.296717  1053.992       155.3810 1349.982       
244.5031 853.4734       201.2437 79.16396 7.356614 62.88562 7.622407 16.27835 
10.59343 
1 1 1 12  -3  23 o 121.3603 5.779422  3206.146       294.1967 3398.705       
425.0144 3029.007       407.6428 124.8904 8.105795 117.8302 8.240325 7.060249 
11.55884 
1 1 1 12  -3  24 o 40.79363 7.474837  392.2195       131.4856 294.8171       
187.8863 485.7052       184.0699 35.79013 11.24088 45.79712 9.855727 -10.00699 
14.94967 
1 1 1 12  -3  25 o 25.75769 7.119472  105.0247       104.3704 120.1833       
190.6595 98.53844       124.7168 27.70663 11.00143 23.80874 9.039695 3.897892 
14.23894 
1 1 1 12  -3  26 o 63.07938 5.892373  971.5292       132.9695 738.0337       
234.5859 1082.063       161.4026 55.47926 10.45442 70.67949 5.439238 -15.20023 
11.78475 
1 1 1 12  -3  27 o 64.92210 5.172605  992.9523       129.7463 802.7585       
217.8590 1097.487       161.5133 58.89994 8.810117 70.94425 5.422657 -12.04431 
10.34521 
1 1 1 12  -3  28 o 51.00475 6.295971  605.1068       114.3838 658.3191       
227.2300 587.0468       132.3789 50.65280 10.99372 51.35669 6.139640 
-0.7038918     12.59194 
1 1 1 12  -3  29 o 64.10710 5.217009  993.9742       127.9010 821.2314       
218.8721 1083.552       157.6122 58.26187 8.948021 69.95232 5.366718 -11.69045 
10.43402 
1 1 1 12  -3  30 o 31.91129 7.146744  284.5770       110.3183 178.9955       
206.9453 326.4914       130.3898 27.94624 11.31933 35.87633 8.727913 -7.930084 
14.29349 
1 1 1 12  -3  31 o 49.83705 8.183272  824.7572       138.7623 575.7943       
373.7225 864.5682       149.4456 38.14647 15.30989 61.52763 5.785407 -23.38116 
16.36654 
1 1 1 12  -3  32 f 27.27408 8.175549  182.0901       122.2547 234.1128       
398.5151 176.6855       128.4483 28.90492 13.46840 25.64324 9.271493 3.261675 
16.35110 
1 1 1 12  -3  33 o 25.19437 6.802130  193.4816       118.7160 -90.64005      
243.6199 281.9597       135.9498 20.04558 9.670883 30.34316 9.568171 -10.29758 
13.60426 
1 1 1 12  -2  0  o 240.8081 7.460859  12310.57       749.4166 12781.37       
1016.020 11748.80       1109.855 245.9903 9.837971 235.6259 11.21927 10.36440 
14.92172 
1 1 1 12  -2  1  o 255.7976 7.935232  13898.50       822.0501 14048.16       
1037.514 13646.09       1347.408 257.9331 9.580940 253.6620 12.65216 4.271057 
15.87046 
1 1 1 12  -2  2  o 174.7487 5.590433  6444.354       408.9954 6319.037       
597.9899 6554.503       560.6297 173.1212 8.227438 176.3763 7.571066 -3.255035 
11.18087 
1 1 1 12  -2  3  o 129.7697 4.943761  3532.609       268.7220 3226.679       
368.2121 3881.231       393.0648 123.7762 7.085686 135.7631 6.896097 -11.98691 
9.887523 
1 1 1 12  -2  4  o 200.7426 7.398302  8500.838       620.0237 8333.021       
830.2775 8712.405       932.2460 198.5774 9.958970 202.9078 10.94342 -4.330322 
14.79660 
1 1 1 12  -2  5  o 360.1539 12.17641  27817.11       1787.021 27905.43       
2272.919 27674.13       2891.890 361.7949 14.96382 358.5129 19.21313 3.281952 
24.35283 
1 1 1 12  -2  6  o 271.1295 7.289689  15522.15       826.2739 15249.40       
1114.016 15855.69       1231.914 268.5719 9.879886 273.6870 10.72129 -5.115112 
14.57938 
1 1 1 12  -2  7  o 188.8149 7.134267  7522.957       561.7137 7377.356       
748.7297 7710.411       849.5552 186.8081 9.546639 190.8217 10.60437 -4.013580 
14.26853 
1 1 1 12  -2  8  o 447.6541 14.31026  43554.58       2684.527 42534.52       
3886.483 44485.35       3712.481 442.1140 20.93840 453.1941 19.51197 -11.08008 
28.62051 
1 1 1 12  -2  9  o 140.9868 6.489575  4199.936       383.8362 3981.427       
533.7689 4433.931       552.3612 137.1830 9.267747 144.7906 9.086649 -7.607681 
12.97915 
1 1 1 12  -2  10 f 141.6590 6.037858  4106.806       322.3300 3943.308       
376.4494 4555.986       623.9659 136.7601 6.556443 146.5580 10.14081 -9.797852 
12.07572 
1 1 1 12  -2  11 o 34.06542 7.356251  238.6560       123.6448 363.1797       
170.0451 98.95677       180.1089 40.56154 10.02906 27.56930 10.76455 12.99224 
14.71250 
1 1 1 12  -2  12 o 133.2659 4.854105  3753.627       271.1342 3794.488       
374.0002 3708.364       393.6362 134.0568 6.645140 132.4751 7.077532 1.581696 
9.708210 
1 1 1 12  -2  13 o 153.1559 5.956564  4979.364       382.7870 5174.316       
541.4634 4784.586       541.2218 156.1861 8.257488 150.1257 8.586998 6.060364 
11.91313 
1 1 1 12  -2  14 o 195.4662 7.446373  8281.482       578.8400 7850.142       
976.7524 8514.965       718.6235 190.8436 12.19068 200.0889 8.554594 -9.245361 
14.89275 
1 1 1 12  -2  15 o 39.08815 7.327377  330.4886       121.8544 412.3717       
188.1685 271.3491       159.9147 42.98165 10.50251 35.19465 10.22052 7.787003 
14.65475 
1 1 1 12  -2  16 o 157.9120 6.154457  5306.502       406.9376 5863.671       
597.2908 4823.832       555.9265 165.6498 8.588471 150.1741 8.817454 15.47569 
12.30891 
1 1 1 12  -2  17 o 73.42023 4.858841  1152.822       148.6324 1077.070       
219.6047 1216.855       201.9049 71.11396 7.355425 75.72649 6.350677 -4.612534 
9.717683 
1 1 1 12  -2  18 o 195.5473 7.279258  8179.413       582.3052 7912.396       
739.2693 8615.876       945.1645 191.9507 9.173478 199.1439 11.30476 -7.193207 
14.55852 
1 1 1 12  -2  19 f 52.44038 6.616041  575.4499       139.9517 728.9417       
228.2873 483.0278       177.1443 58.24668 9.335373 46.63409 9.377569 11.61259 
13.23208 
1 1 1 12  -2  20 o 52.79507 7.416401  612.9755       160.7653 833.5729       
236.2454 422.7146       219.4008 62.29468 9.033031 43.29545 11.76505 18.99923 
14.83280 
1 1 1 12  -2  21 o 128.0104 4.275679  3448.935       225.7209 3315.016       
290.5631 3652.752       358.4584 125.0307 5.535348 130.9902 6.518101 -5.959480 
8.551358 
1 1 1 12  -2  22 o 37.55018 11.70140  314.2426       204.1296 314.2426       
204.1296 0.000000       0.000000 37.55018 11.70140 ?        ?        ? ? 
1 1 1 12  -2  23 o 98.24693 5.156434  2059.956       210.7204 2239.420       
325.4103 1930.358       276.5286 101.7741 7.615794 94.71977 6.953772 7.054314 
10.31287 
1 1 1 12  -2  24 o 74.52819 5.419816  1208.247       169.4376 1209.928       
234.9704 1206.427       244.5591 74.63805 7.498492 74.41833 7.827533 0.2197266 
10.83963 
1 1 1 12  -2  25 o 72.04879 4.650298  1053.898       130.2790 1318.051       
243.9086 948.4531       154.1030 77.63261 7.483486 66.46497 5.522547 11.16763 
9.300596 
1 1 1 12  -2  26 o 74.44283 4.569731  1150.439       131.9023 1364.483       
245.7787 1063.853       156.3208 78.61191 7.446926 70.27376 5.298401 8.338150 
9.139462 
1 1 1 12  -2  27 o 42.50968 6.271257  416.5401       100.2411 431.5276       
189.0163 410.6754       118.2380 41.84862 10.71247 43.17074 6.523622 -1.322124 
12.54251 
1 1 1 12  -2  28 o 41.51434 6.512035  369.0738       102.1183 559.6499       
196.2031 298.2674       119.5935 47.60683 10.12046 35.42186 8.197725 12.18497 
13.02407 
1 1 1 12  -2  29 o 26.02888 7.037793  112.8285       99.40813 239.0003       
187.7535 63.68159       117.1804 31.07669 11.21196 20.98106 8.509641 10.09563 
14.07559 
1 1 1 12  -2  30 o 27.90727 7.575734  160.5677       120.2313 275.2733       
206.1780 101.4622       148.0008 32.09063 11.73224 23.72392 9.587570 8.366709 
15.15147 
1 1 1 12  -2  31 o 68.57666 8.287892  1256.380       161.5809 1350.161       
410.8700 1239.222       175.7412 63.09731 15.58226 74.05601 5.652420 -10.95870 
16.57578 
1 1 1 12  -2  32 o 24.54227 7.809970  74.43287       122.8145 169.6088       
339.5377 60.10611       131.7342 28.43237 12.93620 20.65218 8.754274 7.780188 
15.61994 
1 1 1 12  -2  33 o 31.65585 8.212592  290.2433       132.2231 530.9053       
250.4618 197.2565       155.6856 37.24759 12.99735 26.06412 10.04269 11.18347 
16.42518 
1 1 1 12  -2  34 o 19.19490 6.482345  -47.65660      132.5476 -28.69053      
250.2483 -55.05223      156.2680 21.01425 10.05531 17.37555 8.183761 3.638700 
12.96469 
1 1 1 12  -1  0  o 250.1097 8.870058  13195.85       931.3994 0.000000       
0.000000 13195.85       931.3994 ?        ?        250.1097 8.870058 ? ? 
1 1 1 12  -1  1  f 187.0723 6.791263  7367.408       533.3828 0.000000       
0.000000 7367.408       533.3828 ?        ?        187.0723 6.791263 ? ? 
1 1 1 12  -1  2  o 264.0108 11.91134  14761.47       1320.265 0.000000       
0.000000 14761.47       1320.265 ?        ?        264.0108 11.91134 ? ? 
1 1 1 12  -1  3  o 398.7500 14.39943  34235.07       2409.819 33054.37       
3371.947 35467.66       3445.232 391.6543 20.50684 405.8456 20.21988 -14.19131 
28.79886 
1 1 1 12  -1  4  o 253.8904 8.969082  13647.18       954.6378 13256.21       
1308.404 14092.24       1395.969 250.0536 12.46321 257.7272 12.90140 -7.673569 
17.93816 
1 1 1 12  -1  5  o 395.7256 11.75638  33408.61       1951.202 32076.99       
2686.411 34895.51       2838.717 387.4418 16.51532 404.0094 16.73600 -16.56757 
23.51276 
1 1 1 12  -1  6  o 230.8402 7.039698  11110.64       641.1852 10830.13       
778.4275 11702.56       1130.766 226.6216 8.181593 235.0588 11.45823 -8.437134 
14.07940 
1 1 1 12  -1  7  o 159.3773 6.035203  5353.218       402.2426 5434.531       
597.8727 5285.974       543.6930 160.4480 8.875555 158.3067 8.180418 2.141281 
12.07041 
1 1 1 12  -1  8  o 232.1347 8.537106  11429.13       831.6863 11818.47       
1195.440 11063.91       1157.826 235.9644 12.06708 228.3050 12.07950 7.659470 
17.07421 
1 1 1 12  -1  9  o 84.43826 5.364798  1507.470       189.7028 1578.501       
263.4277 1430.953       273.4113 86.52682 7.251566 82.34971 7.908161 4.177116 
10.72960 
1 1 1 12  -1  10 o 35.32798 7.258478  249.3654       112.1265 185.3864       
140.4148 361.9594       186.2738 30.06724 9.749127 40.58871 10.75623 -10.52147 
14.51696 
1 1 1 12  -1  11 o 390.6383 12.07191  32815.75       1787.685 32582.70       
2114.370 33400.00       3347.809 390.6574 12.89157 390.6191 20.41401 
0.3829956E-01  24.14383 
1 1 1 12  -1  12 o 112.0723 4.397886  2645.608       206.8120 2762.576       
297.9074 2536.797       287.3319 114.4624 6.199256 109.6821 6.239777 4.780251 
8.795772 
1 1 1 12  -1  13 o 158.0106 6.555331  5268.341       430.3960 5530.661       
664.2463 5078.514       565.0571 161.2704 9.810598 154.7508 8.697220 6.519608 
13.11066 
1 1 1 12  -1  14 o 97.28332 4.849871  1989.802       195.1774 2068.452       
305.6981 1935.678       253.5919 98.84141 7.366733 95.72523 6.310010 3.116180 
9.699741 
1 1 1 12  -1  15 o 154.4562 6.639736  5057.899       426.7969 5328.974       
654.7095 4857.575       562.8220 157.8992 9.876195 151.0132 8.877225 6.886047 
13.27947 
1 1 1 12  -1  16 o 119.7483 4.877505  3020.083       244.2255 2807.074       
327.8828 3285.543       366.0315 115.0585 6.787676 124.4380 7.006261 -9.379562 
9.755011 
1 1 1 12  -1  17 o 57.95035 5.843345  741.2589       135.4911 603.6232       
199.1479 859.8716       184.8740 52.28136 9.416468 63.61934 6.921621 -11.33797 
11.68669 
1 1 1 12  -1  18 o 74.76120 4.996684  1185.591       155.6414 1218.900       
236.4420 1160.122       206.7536 75.62924 7.446566 73.89317 6.664536 1.736076 
9.993367 
1 1 1 12  -1  19 o 71.86715 5.012469  1114.071       148.7396 993.8262       
223.9321 1209.004       198.9723 68.24496 7.815679 75.48933 6.278099 -7.244370 
10.02494 
1 1 1 12  -1  20 o 109.6578 4.520665  2522.932       202.4064 2676.925       
331.0324 2430.986       255.7927 112.1731 7.029150 107.1424 5.686537 5.030739 
9.041330 
1 1 1 12  -1  21 o 55.20127 7.352941  674.8137       162.6078 714.8790       
250.8102 645.7614       213.5757 56.48351 10.96801 53.91904 9.796213 2.564472 
14.70588 
1 1 1 12  -1  22 o 140.2237 6.450906  4142.016       370.9676 3772.335       
468.6751 4762.137       607.0109 132.3618 8.433937 148.0857 9.763476 -15.72391 
12.90181 
1 1 1 12  -1  23 o 207.6304 9.241148  9400.518       805.5559 0.000000       
0.000000 9400.518       805.5559 ?        ?        207.6304 9.241148 ? ? 
1 1 1 12  -1  24 o 86.96660 5.310864  1647.395       192.5396 1815.284       
267.7111 1467.500       277.1167 91.77547 6.948016 82.15774 8.034065 9.617729 
10.62173 
1 1 1 12  -1  25 o 53.26348 5.663854  571.0378       119.1732 775.8864       
218.2442 484.0062       142.2540 59.30703 8.765115 47.21992 7.175635 12.08710 
11.32771 
1 1 1 12  -1  26 o 61.60807 5.049003  807.3740       119.4338 887.0666       
222.7067 775.2018       141.5029 63.21478 8.391424 60.00137 5.617269 3.213409 
10.09801 
1 1 1 12  -1  27 o 91.85532 4.133159  1877.968       149.7702 1689.188       
252.3273 1980.653       186.0977 87.61684 6.859583 96.09380 4.612822 -8.476959 
8.266317 
1 1 1 12  -1  28 o 35.13457 7.006814  285.7722       100.2574 340.6795       
188.1945 264.0144       118.4678 36.90625 11.18266 33.36290 8.445698 3.543346 
14.01363 
1 1 1 12  -1  29 o 58.43166 5.490197  672.8967       120.4284 1061.557       
247.3410 552.1298       137.8749 67.23106 8.762887 49.63225 6.616711 17.59880 
10.98039 
1 1 1 12  -1  30 o 29.07064 7.203369  213.6897       112.8783 87.83327       
209.5750 265.1199       133.9710 25.70631 10.97406 32.43498 9.334030 -6.728672 
14.40674 
1 1 1 12  -1  31 o 65.77198 7.821193  1148.216       159.2426 1129.455       
361.6901 1152.727       177.3573 60.11665 14.48119 71.42731 5.914332 -11.31067 
15.64239 
1 1 1 12  -1  32 o 23.35229 7.628566  16.29151       137.6638 25.92421       
335.9002 14.34693       150.9208 26.51539 12.35891 20.18918 8.946359 6.326218 
15.25713 
1 1 1 12  -1  33 o 18.84880 6.417360  -102.8261      128.6256 -215.8873      
277.2660 -71.82185      145.1947 20.56594 10.01447 17.13165 8.027487 3.434294 
12.83472 
1 1 1 12  -1  34 o 40.94279 8.233508  506.6765       136.5635 787.4896       
260.6354 400.4079       160.3346 46.08344 12.94192 35.80215 10.18181 10.28129 
16.46702 
1 1 1 12  0   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  0   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  0   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  0   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  0   4  o 195.0445 7.264919  8011.977       594.8992 0.000000       
0.000000 8011.977       594.8992 ?        ?        195.0445 7.264919 ? ? 
1 1 1 12  0   5  o 527.6705 18.54460  61078.08       4078.894 60201.95       
6113.405 61781.03       5475.950 522.8501 27.85012 532.4910 24.49449 -9.640869 
37.08920 
1 1 1 12  0   6  o 187.5893 6.516634  7403.396       510.5852 7199.854       
684.0923 7659.385       767.1829 184.7312 8.820545 190.4473 9.595002 -5.716110 
13.03327 
1 1 1 12  0   7  o 119.4375 4.185531  3003.290       209.7615 2930.474       
299.2006 3073.673       294.1587 118.0072 6.039137 120.8678 5.796851 -2.860580 
8.371061 
1 1 1 12  0   8  o 275.0868 11.47283  15988.10       1304.857 15124.35       
1685.283 17280.95       2061.839 266.2692 15.07554 283.9044 17.29831 -17.63519 
22.94566 
1 1 1 12  0   9  o 62.44067 5.675550  807.7691       143.8338 767.9766       
179.6047 878.9233       240.1694 60.36893 7.086394 64.51242 8.867384 -4.143490 
11.35110 
1 1 1 12  0   10 o 121.7601 4.489367  3119.478       229.3759 3241.172       
330.4653 3006.343       318.6314 124.0495 6.345296 119.4707 6.352551 4.578766 
8.978735 
1 1 1 12  0   11 o 42.41621 6.742877  381.8098       127.9483 646.0739       
186.7554 148.0469       175.6475 55.31133 8.042296 29.52108 10.82530 25.79025 
13.48575 
1 1 1 12  0   12 o 137.7888 5.223638  3999.919       299.5648 3945.995       
397.0995 4071.136       456.3507 136.7618 6.916008 138.8157 7.830351 -2.053848 
10.44728 
1 1 1 12  0   13 o 40.47974 6.918603  350.2589       137.7152 48.43624       
200.3307 620.6904       189.6271 26.80984 11.04054 54.14962 8.341151 -27.33978 
13.83721 
1 1 1 12  0   14 o 260.2646 8.406894  14495.04       878.5931 14527.16       
1474.675 14477.37       1093.945 259.7415 13.52309 260.7878 9.991466 -1.046204 
16.81379 
1 1 1 12  0   15 o 37.45589 6.991472  278.6654       123.4507 520.3114       
186.4128 89.90216       164.7573 48.62679 9.468943 26.28499 10.28892 22.34180 
13.98294 
1 1 1 12  0   16 o 68.95857 5.428744  978.9808       153.0593 1359.823       
238.2310 711.2675       199.7380 80.09124 7.084910 57.82590 8.227339 22.26534 
10.85749 
1 1 1 12  0   17 o 49.33699 6.585358  536.5148       131.8665 487.3108       
198.6099 575.3050       176.3442 46.71349 10.39817 51.96048 8.083679 -5.246990 
13.17072 
1 1 1 12  0   18 o 35.46703 7.753320  273.1164       127.7915 238.1650       
185.7128 304.5496       176.1178 33.83626 11.21341 37.09780 10.71052 -3.261539 
15.50664 
1 1 1 12  0   19 o 181.6664 6.477002  7086.123       493.3089 7596.250       
704.9368 6596.572       690.5731 188.1769 8.922880 175.1559 9.390870 13.02092 
12.95400 
1 1 1 12  0   20 f 31.17621 7.919735  181.1987       132.6659 146.1565       
196.2379 210.6956       180.0425 30.02772 11.35726 32.32470 11.04090 -2.296976 
15.83947 
1 1 1 12  0   21 o 98.80393 5.281055  2046.092       216.4668 2307.315       
339.3378 1866.857       281.0850 103.9684 7.774131 93.63943 7.149901 10.32901 
10.56211 
1 1 1 12  0   22 o 49.17323 6.649667  536.3091       129.7257 551.6104       
164.0835 510.8005       211.8583 50.78841 7.695225 47.55805 10.84693 3.230366 
13.29933 
1 1 1 12  0   23 f 115.6552 4.572342  2870.149       218.4039 2949.219       
286.7391 2760.886       337.0682 117.7472 5.800390 113.5632 7.069705 4.184044 
9.144685 
1 1 1 12  0   24 o 98.48260 4.556107  2050.806       170.5134 2142.587       
320.5230 2014.579       201.3730 99.58582 7.666245 97.37938 4.925556 2.206444 
9.112213 
1 1 1 12  0   25 o 118.8207 8.741705  3098.471       436.0809 3098.471       
436.0809 0.000000       0.000000 118.8207 8.741705 ?        ?        ? ? 
1 1 1 12  0   26 o 72.47176 5.004820  1215.474       138.4048 939.1500       
235.5221 1361.234       171.0571 65.16483 8.608736 79.77868 5.107111 -14.61385 
10.00964 
1 1 1 12  0   27 o 27.65243 7.103062  157.5661       105.4580 84.34211       
190.4164 189.9627       126.6564 26.30346 10.78643 29.00140 9.244825 -2.697948 
14.20612 
1 1 1 12  0   28 o 63.18123 4.579995  816.6583       112.3982 1045.255       
211.4633 726.6445       132.6949 68.49734 7.353301 57.86512 5.462085 10.63223 
9.159989 
1 1 1 12  0   29 o 18.75319 5.990374  -43.17402      99.53509 -215.1180      
190.7236 21.18566       116.6858 18.18141 8.718649 19.32497 8.217268 -1.143560 
11.98075 
1 1 1 12  0   30 o 31.87949 7.871253  244.4320       118.8272 274.7964       
236.2757 234.1519       137.4782 33.02433 12.47050 30.73464 9.607969 2.289694 
15.74251 
1 1 1 12  0   31 o 61.80480 8.201907  1026.611       151.2508 999.2293       
370.0714 1032.102       165.7242 55.75157 15.33775 67.85803 5.817091 -12.10646 
16.40381 
1 1 1 12  0   32 o 29.28348 8.153008  207.0758       125.3398 225.3306       
307.0269 203.4250       137.3022 30.46548 13.15077 28.10148 9.640712 2.363998 
16.30602 
1 1 1 12  0   33 o 21.79740 6.863485  36.43085       125.2007 -124.4538      
244.4403 93.64816       145.7737 21.04309 10.03762 22.55172 9.363544 -1.508631 
13.72697 
1 1 1 12  0   34 o 34.09459 7.255581  404.9975       135.7912 128.0324       
250.1834 520.6655       161.6786 24.88407 11.24407 43.30511 9.173040 -18.42104 
14.51116 
1 1 1 12  0   35 o 20.51849 6.769924  17.92365       131.1027 51.95169       
249.7707 4.983294       154.0267 22.32383 10.47266 18.71315 8.582015 3.610674 
13.53985 
1 1 1 12  1   0  o 480.8613 13.60108  49653.80       2672.343 49773.71       
3413.439 49463.93       4295.253 482.8358 16.83890 478.8867 21.36373 3.949066 
27.20216 
1 1 1 12  1   1  o 301.7740 7.599816  19258.60       961.5223 19445.22       
1328.975 19053.60       1392.870 303.3685 10.43440 300.1794 11.05225 3.189026 
15.19963 
1 1 1 12  1   2  o 538.7421 16.18219  62523.71       3471.682 61845.14       
4274.063 63839.64       5951.949 537.0381 18.95644 540.4461 26.23179 -3.407959 
32.36438 
1 1 1 12  1   3  o 139.0054 5.568233  4063.699       324.9585 4063.699       
324.9585 0.000000       0.000000 139.0054 5.568233 ?        ?        ? ? 
1 1 1 12  1   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  1   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  1   6  o 171.8336 7.950839  6222.860       573.5879 0.000000       
0.000000 6222.860       573.5879 ?        ?        171.8336 7.950839 ? ? 
1 1 1 12  1   7  o 154.6105 6.854219  5019.015       438.5981 4879.565       
570.4550 5220.634       685.9301 152.0697 8.935104 157.1512 10.39640 -5.081482 
13.70844 
1 1 1 12  1   8  o 356.9496 10.76359  27137.88       1588.670 26997.36       
2072.774 27337.95       2473.375 356.3050 13.85643 357.5944 16.47481 -1.289398 
21.52719 
1 1 1 12  1   9  o 415.7921 15.45695  37457.03       2626.681 37906.57       
4232.669 37175.47       3349.723 416.2411 24.22091 415.3431 19.20981 0.8980103 
30.91390 
1 1 1 12  1   10 o 129.2234 4.780077  3495.227       251.5498 3609.987       
411.9753 3427.007       317.6360 130.8507 7.499221 127.5961 5.929437 3.254662 
9.560153 
1 1 1 12  1   11 o 248.4075 9.800964  13173.98       1018.114 13082.87       
1504.928 13250.86       1382.510 247.4289 14.48726 249.3861 13.20435 -1.957214 
19.60193 
1 1 1 12  1   12 o 166.6320 6.842754  5851.921       473.6662 6076.983       
730.2690 5688.471       622.3332 169.2894 10.27482 163.9745 9.039984 5.314926 
13.68551 
1 1 1 12  1   13 o 183.2873 6.559723  7165.568       501.2784 7723.416       
688.7836 6537.378       730.9207 191.0444 8.587554 175.5301 9.918356 15.51433 
13.11945 
1 1 1 12  1   14 o 156.8430 5.688225  5211.449       354.1248 5190.550       
608.7573 5222.140       435.3684 156.3950 9.271337 157.2909 6.592870 
-0.8958588     11.37645 
1 1 1 12  1   15 o 122.5744 5.375420  3152.205       261.4389 3269.714       
454.2329 3093.995       319.7019 124.1016 8.718105 121.0472 6.290883 3.054466 
10.75084 
1 1 1 12  1   16 o 225.7793 8.467330  10916.23       745.5197 11128.33       
1331.021 10819.26       899.9324 226.3370 14.00717 225.2217 9.517453 1.115326 
16.93466 
1 1 1 12  1   17 o 237.6532 9.238174  12287.94       893.4196 12243.52       
1449.702 12315.15       1134.460 236.2751 14.61442 239.0314 11.30460 -2.756256 
18.47635 
1 1 1 12  1   18 o 83.65616 4.661015  1455.845       162.0254 1280.969       
211.6399 1703.476       251.8460 77.71845 6.486261 89.59386 6.695421 -11.87540 
9.322030 
1 1 1 12  1   19 o 207.9637 8.692674  9417.322       754.1093 9736.688       
1139.658 9168.578       1005.786 210.6869 12.88422 205.2405 11.67250 5.446381 
17.38535 
1 1 1 12  1   20 o 124.8879 5.214224  3333.866       270.4066 3405.062       
359.2728 3240.832       410.6897 126.5764 6.760714 123.1994 7.940106 3.377022 
10.42845 
1 1 1 12  1   21 o 271.0129 8.230840  15551.66       768.9958 15229.72       
865.2037 16762.55       1677.972 267.2081 7.712403 274.8177 14.54324 -7.609558 
16.46168 
1 1 1 12  1   22 o 66.11097 5.057863  883.9445       136.5609 730.0740       
170.7760 1156.827       227.4242 58.56414 6.945700 73.65780 7.354260 -15.09366 
10.11573 
1 1 1 12  1   23 o 55.65470 6.263812  656.7807       140.0623 498.7202       
182.6470 882.4127       218.2234 47.20750 9.549359 64.10190 8.108706 -16.89440 
12.52762 
1 1 1 12  1   24 o 24.72684 7.278965  -3.129090      108.8858 164.2923       
228.6140 -52.25196      123.8338 31.66951 12.17645 17.78418 7.979185 13.88533 
14.55793 
1 1 1 12  1   25 o 149.6447 5.809600  4918.474       338.9692 4741.945       
595.6667 5003.015       412.2224 146.6150 9.677116 152.6745 6.431115 -6.059464 
11.61920 
1 1 1 12  1   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  1   27 o 25.82386 6.909020  121.5886       101.0687 43.72605       
186.2111 154.1056       120.3363 24.83871 10.46241 26.80901 9.026416 -1.970306 
13.81804 
1 1 1 12  1   28 o 50.55727 5.392198  521.6037       105.5669 694.6337       
200.8529 455.5600       124.0889 55.48386 8.622484 45.63069 6.477343 9.853176 
10.78440 
1 1 1 12  1   29 o 27.44185 7.204169  155.6605       103.5099 139.3832       
198.6298 161.7288       121.2794 28.06388 11.20203 26.81981 9.061714 1.244074 
14.40834 
1 1 1 12  1   30 o 29.84160 6.606387  229.6201       109.2732 -56.96392      
213.2460 331.6678       127.2497 22.48754 10.23688 37.19566 8.353660 -14.70812 
13.21277 
1 1 1 12  1   31 o 44.36749 7.905997  606.6139       133.6733 317.9130       
348.2581 656.4969       144.7617 34.79826 14.46207 53.93671 6.392788 -19.13845 
15.81199 
1 1 1 12  1   32 o 28.05898 8.120270  170.6145       127.2308 120.7502       
334.9409 179.0229       137.5402 29.11884 13.09167 26.99913 9.610582 2.119717 
16.24054 
1 1 1 12  1   33 o 40.75068 7.789698  478.7471       128.5143 463.3910       
255.6762 483.9385       148.6586 37.68332 13.13361 43.81804 8.380079 -6.134712 
15.57940 
1 1 1 12  1   34 o 26.92722 7.864059  180.5193       126.1682 230.1273       
280.9697 167.9897       141.2052 28.49418 12.44177 25.36025 9.621651 3.133934 
15.72812 
1 1 1 12  1   35 o 29.47859 6.389219  292.6292       124.2074 -207.8187      
256.7750 445.4956       141.9153 19.03270 9.352044 39.92447 8.707912 -20.89177 
12.77844 
1 1 1 12  2   0  o 84.37431 3.956832  1487.837       139.0566 1568.815       
212.5787 1427.269       183.8467 86.36080 5.863058 82.38781 5.315132 3.972992 
7.913663 
1 1 1 12  2   1  o 609.2880 20.54956  81868.48       5252.388 83360.74       
7331.013 80294.55       7528.938 615.6865 28.36126 602.8895 29.74521 12.79694 
41.09913 
1 1 1 12  2   2  o 234.7732 6.603654  11645.79       647.8537 11457.35       
959.5583 11803.65       878.2398 232.9632 9.810816 236.5832 8.841995 -3.620010 
13.20731 
1 1 1 12  2   3  o 171.2690 5.592147  6135.375       384.1111 6031.154       
475.3448 6331.481       652.0426 169.2783 6.688497 173.2597 8.963953 -3.981369 
11.18429 
1 1 1 12  2   4  o 354.0970 10.69296  26645.99       1522.538 26561.82       
1897.449 26798.16       2551.304 353.9980 12.76705 354.1960 17.15693 
-0.1979980     21.38593 
1 1 1 12  2   5  o 170.8013 7.241637  6143.377       519.2864 6143.377       
519.2864 0.000000       0.000000 170.8013 7.241637 ?        ?        ? ? 
1 1 1 12  2   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  2   7  o 113.0542 5.105049  2690.276       242.2238 2633.543       
337.1950 2750.767       348.1815 111.8253 7.182274 114.2831 7.256791 -2.457809 
10.21010 
1 1 1 12  2   8  o 116.0463 4.911104  2831.354       239.0816 2967.147       
346.1567 2707.490       330.6042 118.7026 6.945978 113.3899 6.944722 5.312706 
9.822208 
1 1 1 12  2   9  o 172.5459 4.716099  6244.091       340.5540 5977.353       
460.0987 6567.300       506.4654 168.4994 6.503899 176.5925 6.831226 -8.093094 
9.432198 
1 1 1 12  2   10 o 121.7795 4.548311  3122.063       232.5212 3177.047       
331.3000 3068.687       326.4234 122.8365 6.424142 120.7226 6.440414 2.113892 
9.096622 
1 1 1 12  2   11 o 366.5947 12.24174  29000.13       1845.993 29464.29       
2395.660 28321.71       2896.262 371.1320 15.37510 362.0574 19.05379 9.074585 
24.48348 
1 1 1 12  2   12 o 248.9094 8.917100  13213.09       926.9404 13430.55       
1254.591 12951.68       1375.523 251.3624 11.88838 246.4564 13.29380 4.906006 
17.83420 
1 1 1 12  2   13 o 43.48790 7.572038  411.4024       135.9685 458.1464       
212.1289 378.8059       177.1427 45.53196 11.16694 41.44385 10.22949 4.088112 
15.14408 
1 1 1 12  2   14 o 126.2379 5.819824  3379.974       301.2988 3330.915       
478.5637 3412.190       387.8081 125.3689 9.092239 127.1069 7.267228 -1.737961 
11.63965 
1 1 1 12  2   15 o 65.22296 4.922042  895.2319       126.4755 909.4156       
221.8004 888.3979       153.9586 65.53152 8.061823 64.91441 5.649159 0.6171112 
9.844084 
1 1 1 12  2   16 o 110.5807 4.814854  2587.053       221.5015 2578.146       
336.3209 2593.876       294.3574 110.3567 7.258989 110.8046 6.327588 
-0.4478989     9.629708 
1 1 1 12  2   17 o 97.47244 5.312297  2022.434       216.5248 1831.676       
308.0603 2208.682       304.3971 92.85986 7.901850 102.0850 7.102307 -9.225174 
10.62459 
1 1 1 12  2   18 o 213.2776 6.010858  9570.871       520.7288 10227.11       
864.1058 9196.660       652.5203 218.5504 9.417519 208.0049 7.472082 10.54550 
12.02172 
1 1 1 12  2   19 o 57.74487 6.045858  702.0220       140.6761 920.6063       
218.6442 547.6169       183.7635 65.69277 7.927596 49.79697 9.130324 15.89581 
12.09172 
1 1 1 12  2   20 o 81.53351 4.976547  1406.949       168.6055 1466.073       
259.7889 1363.922       221.6217 82.93764 7.460879 80.12939 6.587819 2.808250 
9.953094 
1 1 1 12  2   21 o 141.0826 5.118737  4259.323       300.1564 4414.839       
401.7738 4062.892       451.5422 144.1685 6.637923 137.9966 7.793834 6.171951 
10.23747 
1 1 1 12  2   22 o 166.3061 6.193699  5786.327       409.1348 5504.719       
497.8493 6372.173       718.0708 160.7274 7.377837 171.8848 9.950637 -11.15741 
12.38740 
1 1 1 12  2   23 o 72.46644 5.488055  1123.083       166.6488 1033.773       
233.3412 1216.061       238.0844 69.48433 7.998814 75.44855 7.516247 -5.964218 
10.97611 
1 1 1 12  2   24 o 56.79534 5.788923  765.4062       115.9966 571.9244       
210.6842 849.5676       138.9532 50.31264 10.32905 63.27804 5.230421 -12.96540 
11.57785 
1 1 1 12  2   25 o 24.70712 6.396120  77.18932       106.6248 -269.2327      
203.2775 208.6765       125.2357 18.77016 9.000987 30.64407 9.089753 -11.87391 
12.79224 
1 1 1 12  2   26 o 40.26740 7.175924  358.5316       112.4978 412.1677       
211.2766 337.3070       132.9053 41.95823 11.60918 38.57655 8.438159 3.381680 
14.35185 
1 1 1 12  2   27 o 37.41115 8.298929  319.4146       126.9066 0.000000       
0.000000 319.4146       126.9066 ?        ?        37.41115 8.298929 ? ? 
1 1 1 12  2   28 o 40.81335 6.690394  347.8637       104.1128 517.3467       
198.4552 283.5054       122.2929 46.63871 10.40296 34.98799 8.415698 11.65072 
13.38079 
1 1 1 12  2   29 o 34.91058 7.193882  298.5049       105.4876 252.9778       
209.9172 313.8857       122.0123 33.14057 11.86530 36.68059 8.137710 -3.540020 
14.38776 
1 1 1 12  2   30 o 36.48128 7.291963  319.5581       106.2368 349.5279       
213.4893 309.6942       122.4780 36.85098 12.02278 36.11159 8.254915 0.7393875 
14.58393 
1 1 1 12  2   31 o 28.65487 8.247474  152.3286       118.5835 168.0657       
335.6089 150.0835       126.7600 31.50415 13.67605 25.80558 9.222198 5.698574 
16.49495 
1 1 1 12  2   32 o 19.97304 6.584430  -51.10510      117.1766 -277.9827      
277.8425 -2.022083      129.2316 21.07809 10.19935 18.86800 8.330191 2.210093 
13.16886 
1 1 1 12  2   33 o 41.43046 7.298263  495.4554       122.7824 376.7350       
243.5213 535.9230       142.1768 35.10099 12.75857 47.75992 7.090654 -12.65893 
14.59653 
1 1 1 12  2   34 o 48.23386 6.586725  377.7489       122.4550 1345.882       
278.3606 145.4314       136.3582 71.93430 9.217068 24.53342 9.411985 47.40089 
13.17345 
1 1 1 12  2   35 o 18.98710 6.227562  -17.07904      113.3276 -110.9454      
215.5072 18.79987       133.2375 19.30971 9.261670 18.66449 8.327761 0.6452198 
12.45512 
1 1 1 12  2   36 o 20.87807 6.344953  76.01622       111.7918 -233.3892      
240.9703 160.8708       126.1936 18.02287 8.876145 23.73327 9.069054 -5.710396 
12.68991 
1 1 1 12  3   0  o 216.5524 3.440553  9824.318       282.3988 9936.072       
530.3826 9780.102       333.6212 217.3440 5.812495 215.7607 3.683005 1.583313 
6.881106 
1 1 1 12  3   1  o 353.7562 5.054287  26553.07       697.5731 25790.31       
1232.543 26912.54       846.1266 349.7886 8.393004 357.7237 5.633895 -7.935028 
10.10857 
1 1 1 12  3   2  o 341.9159 8.025220  23610.52       818.5801 23160.57       
883.2510 26349.97       2179.377 331.7715 6.341122 352.0602 14.74472 -20.28864 
16.05044 
1 1 1 12  3   3  o 249.4733 7.249796  13075.19       741.5100 12827.89       
947.1783 13466.71       1191.764 246.5981 9.148777 252.3485 11.24891 -5.750412 
14.49959 
1 1 1 12  3   4  o 491.8790 15.53661  52073.98       2948.666 51828.10       
3533.404 52638.00       5351.571 492.6656 17.08292 491.0923 25.95609 1.573212 
31.07321 
1 1 1 12  3   5  o 301.9703 8.875654  18959.37       1054.821 18312.97       
1275.182 20360.14       1877.178 294.4285 10.31605 309.5122 14.44604 -15.08365 
17.75131 
1 1 1 12  3   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  3   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  3   8  o 89.11154 4.664413  1666.839       174.1366 1741.314       
256.5640 1603.226       237.1168 90.94729 6.719347 87.27579 6.471273 3.671501 
9.328826 
1 1 1 12  3   9  o 198.1810 6.072070  8143.944       449.0909 7982.041       
523.6055 8594.455       873.4327 194.7335 6.404490 201.6285 10.31807 -6.895004 
12.14414 
1 1 1 12  3   10 o 60.81445 5.317807  760.8903       134.1346 652.4597       
174.4409 917.7454       209.8078 55.64164 7.467402 65.98724 7.573256 -10.34560 
10.63561 
1 1 1 12  3   11 o 273.5546 7.999216  15884.66       914.3083 15618.23       
1354.528 16107.65       1239.208 271.3054 11.89188 275.8038 10.70201 -4.498352 
15.99843 
1 1 1 12  3   12 o 118.1109 5.434717  2914.406       264.3017 3085.308       
421.9068 2804.018       339.0810 120.8836 8.313239 115.3381 7.002474 5.545441 
10.86943 
1 1 1 12  3   13 o 292.1378 8.258304  18175.98       1000.067 17949.03       
1535.818 18343.05       1317.719 290.2466 12.60358 294.0290 10.67465 -3.782471 
16.51661 
1 1 1 12  3   14 o 247.2245 8.346094  13140.56       843.5402 13584.23       
1087.542 12470.56       1336.457 252.9620 10.24028 241.4871 13.18202 11.47496 
16.69219 
1 1 1 12  3   15 o 186.4233 6.374352  7401.979       496.4243 7812.714       
681.9164 6938.881       724.0792 192.0621 8.456884 180.7845 9.539947 11.27765 
12.74870 
1 1 1 12  3   16 o 219.7625 8.001609  10338.32       730.6385 10392.05       
968.2230 10267.25       1113.499 220.7270 10.44819 218.7981 12.12181 1.928894 
16.00322 
1 1 1 12  3   17 o 253.6679 9.616805  13910.64       1005.723 14142.82       
1583.093 13753.52       1302.287 254.6985 14.80475 252.6373 12.27808 2.061172 
19.23361 
1 1 1 12  3   18 o 210.5475 7.301979  9499.194       623.9956 9460.672       
787.5092 9564.182       1022.867 210.5600 8.908422 210.5351 11.57219 
0.2491760E-01  14.60396 
1 1 1 12  3   19 o 91.15910 5.212706  1768.764       199.3092 1684.479       
282.3269 1852.501       281.4069 88.96203 7.559074 93.35619 7.179807 -4.394157 
10.42541 
1 1 1 12  3   20 o 68.10448 5.235292  908.0508       141.1501 578.5159       
175.8403 1505.099       236.6860 52.04276 8.047838 84.16620 6.698167 -32.12344 
10.47058 
1 1 1 12  3   21 o 122.4053 4.995836  3173.833       251.7074 3117.680       
324.1526 3259.112       399.4685 121.2011 6.370360 123.6095 7.697533 -2.408432 
9.991672 
1 1 1 12  3   22 o 228.1249 6.823375  11072.59       645.3701 10437.17       
839.2328 11992.12       1009.576 220.5380 9.064005 235.7118 10.20184 -15.17380 
13.64675 
1 1 1 12  3   23 o 225.2400 5.619321  10837.86       530.0311 10960.92       
779.6476 10732.12       722.7375 226.2925 8.206336 224.1875 7.678746 2.105026 
11.23864 
1 1 1 12  3   24 o 170.8679 5.813764  6120.461       377.9041 6646.558       
715.3296 5916.785       445.0843 175.0348 9.734257 166.7010 6.359533 8.333878 
11.62753 
1 1 1 12  3   25 o 39.31673 7.172650  340.7105       110.9702 374.1181       
207.7474 327.3729       131.2661 40.45471 11.61731 38.17875 8.415805 2.275955 
14.34530 
1 1 1 12  3   26 o 145.7086 5.295404  4665.638       308.0789 4342.721       
512.1511 4848.741       385.6561 140.9663 8.653739 150.4509 6.105573 -9.484589 
10.59081 
1 1 1 12  3   27 o 105.8940 3.882026  2447.632       164.6490 2231.018       
270.5473 2575.050       207.4986 101.7593 6.332718 110.0287 4.491903 -8.269348 
7.764052 
1 1 1 12  3   28 o 59.17903 5.707377  812.8192       117.9655 717.6393       
227.6806 847.7458       137.9216 55.50438 10.14785 62.85368 5.226638 -7.349308 
11.41475 
1 1 1 12  3   29 o 20.41262 9.562433  -159.6908      205.5474 -159.6908      
205.5474 0.000000       0.000000 20.41262 9.562433 ?        ?        ? ? 
1 1 1 12  3   30 o 46.95399 6.614141  525.0051       112.2626 514.3520       
220.5111 528.7321       130.4308 44.96200 11.60604 48.94598 6.347229 -3.983978 
13.22828 
1 1 1 12  3   31 o 48.73106 8.441020  573.6863       132.9960 698.4428       
351.0275 552.7764       143.7099 47.95816 15.40102 49.50397 6.914611 -1.545815 
16.88204 
1 1 1 12  3   32 o 25.38820 7.454319  99.28024       115.8757 147.3256       
234.3274 83.72867       133.3168 28.22869 11.80554 22.54770 9.104765 5.680984 
14.90864 
1 1 1 12  3   33 o 53.54637 6.668212  684.3085       128.5029 818.9470       
255.2222 638.5859       148.7305 54.50747 11.50978 52.58528 6.736853 1.922192 
13.33642 
1 1 1 12  3   34 o 26.83046 7.700674  88.24398       120.1128 386.4618       
249.6121 -1.615970      137.0193 34.73353 12.87952 18.92739 8.445090 15.80614 
15.40135 
1 1 1 12  3   35 o 20.02409 6.476119  5.749097       111.6951 -44.76149      
222.0103 22.86705       129.2433 21.13447 9.907285 18.91372 8.343030 2.220758 
12.95224 
1 1 1 12  3   36 o 23.80973 6.778354  153.9885       119.4853 -105.6248      
238.5093 240.9737       138.0589 19.68563 9.512444 27.93383 9.659076 -8.248194 
13.55671 
1 1 1 12  4   0  o 209.7369 3.574058  9169.518       301.1030 9516.262       
510.1328 8984.129       373.0102 212.7098 5.712376 206.7641 4.297013 5.945755 
7.148116 
1 1 1 12  4   1  o 389.9025 6.445224  32255.90       931.0789 32471.26       
1088.096 31667.03       1799.258 392.7984 6.598094 387.0066 11.07379 5.791779 
12.89045 
1 1 1 12  4   2  o 310.0557 5.183638  19823.56       490.6741 19635.73       
533.1979 20862.22       1253.842 305.6891 4.154603 314.4222 9.498405 -8.733124 
10.36728 
1 1 1 12  4   3  o 114.4093 2.709396  2726.510       128.7078 2903.249       
199.7603 2601.061       168.2975 117.5466 4.047813 111.2721 3.602571 6.274475 
5.418792 
1 1 1 12  4   4  o 421.2422 12.13346  36392.33       1479.391 35835.94       
1588.709 40022.95       4058.309 412.1583 9.181242 430.3260 22.46304 -18.16766 
24.26692 
1 1 1 12  4   5  o 134.9428 5.050505  3825.934       284.9307 3749.442       
384.0206 3919.620       424.9931 133.4615 6.853611 136.4241 7.420135 -2.962570 
10.10101 
1 1 1 12  4   6  o 447.9045 13.34019  42921.74       2466.346 42511.25       
3202.127 43520.41       3867.097 446.1155 17.09670 449.6935 20.48281 -3.577942 
26.68038 
1 1 1 12  4   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  4   8  o 356.5840 12.44280  26950.89       1862.769 0.000000       
0.000000 26950.89       1862.769 ?        ?        356.5840 12.44280 ? ? 
1 1 1 12  4   9  o 230.9084 7.422221  11195.90       668.3856 11066.88       
805.5308 11481.03       1197.520 229.0863 8.375373 232.7306 12.25604 -3.644333 
14.84444 
1 1 1 12  4   10 f 206.7798 6.627932  8970.043       559.2411 8782.455       
708.2482 9280.679       911.3996 204.0650 8.266812 209.4946 10.36232 -5.429565 
13.25586 
1 1 1 12  4   11 o 215.0365 7.098624  9731.403       636.7377 10180.18       
965.1243 9385.515       847.3028 219.3340 10.48089 210.7390 9.576676 8.595032 
14.19725 
1 1 1 12  4   12 o 156.7933 5.493959  5260.052       340.4085 4960.000       
582.0760 5416.015       419.6541 153.2112 9.049204 160.3754 6.232678 -7.164276 
10.98792 
1 1 1 12  4   13 o 148.7004 6.146135  4685.338       382.3559 4253.294       
542.3798 5112.175       539.1010 141.8186 9.109434 155.5822 8.253369 -13.76363 
12.29227 
1 1 1 12  4   14 o 240.8326 8.439747  12396.43       845.1499 11994.65       
1274.977 12711.35       1128.777 237.0790 12.80944 244.5863 10.99252 -7.507309 
16.87949 
1 1 1 12  4   15 o 96.55620 5.071480  1945.342       202.8728 2109.039       
318.4399 1833.513       263.1994 99.89957 7.592502 93.21283 6.725589 6.686745 
10.14296 
1 1 1 12  4   16 o 169.6685 6.114479  6069.520       426.4138 6276.821       
680.8113 5935.701       546.9954 171.8746 9.434872 167.4624 7.780141 4.412277 
12.22896 
1 1 1 12  4   17 o 137.3129 5.350007  3966.862       301.4977 4125.969       
484.1162 3866.052       385.3511 139.4228 8.270599 135.2029 6.788777 4.219818 
10.70001 
1 1 1 12  4   18 o 83.87885 4.808982  1484.738       167.4217 1525.434       
258.4218 1455.302       219.7834 84.81409 7.257419 82.94362 6.311506 1.870468 
9.617965 
1 1 1 12  4   19 o 181.1289 7.064057  7033.793       533.0768 7129.939       
807.2543 6959.445       709.8691 181.9849 10.56565 180.2729 9.379268 1.711990 
14.12811 
1 1 1 12  4   20 o 120.6958 4.469246  3074.505       225.4769 2935.216       
302.4796 3248.693       338.2564 117.6730 6.122661 123.7185 6.512271 -6.045456 
8.938493 
1 1 1 12  4   21 o 31.97363 7.325192  190.1649       115.3877 99.47278       
149.1467 325.3775       182.1115 25.71884 9.850204 38.22842 10.84469 -12.50957 
14.65038 
1 1 1 12  4   22 o 101.3746 4.453039  2205.847       184.9012 2310.042       
240.1032 2054.011       289.8434 104.4817 5.473672 98.26740 7.025464 6.214302 
8.906078 
1 1 1 12  4   23 o 25.36170 7.118307  61.96058       104.5619 140.3264       
194.6061 30.15505       123.9780 29.69175 11.28652 21.03165 8.677312 8.660105 
14.23661 
1 1 1 12  4   24 o 121.7268 4.439316  3086.083       214.1971 3342.725       
376.4496 2963.216       260.4718 125.1635 7.163909 118.2900 5.244857 6.873489 
8.878633 
1 1 1 12  4   25 o 116.2662 4.319486  2879.772       202.1222 2883.111       
337.6007 2877.907       252.3463 116.0709 6.927895 116.4615 5.161019 
-0.3906708     8.638972 
1 1 1 12  4   26 o 62.99606 5.253846  849.6722       125.0602 871.9080       
235.9990 840.9900       147.4681 63.19302 8.895330 62.79911 5.593270 0.3939056 
10.50769 
1 1 1 12  4   27 o 93.83322 4.416187  1894.205       162.6041 1885.954       
285.3181 1898.174       197.8848 93.28900 7.284838 94.37743 4.994194 -1.088432 
8.832375 
1 1 1 12  4   28 o 89.06967 4.025113  1578.282       133.1690 1987.280       
270.2990 1447.187       153.0300 95.70461 6.727174 82.43473 4.421681 13.26988 
8.050226 
1 1 1 12  4   29 o 77.22175 5.039524  1276.870       145.3608 1388.550       
282.6133 1236.697       169.5005 78.68649 8.554873 75.75701 5.329289 2.929474 
10.07905 
1 1 1 12  4   30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  4   31 o 44.99325 8.065720  460.4836       121.2634 606.2699       
311.1270 434.3704       131.6766 46.08090 14.46354 43.90559 7.143482 2.175304 
16.13144 
1 1 1 12  4   32 o 83.16712 5.413244  1585.765       166.6916 1624.377       
320.8503 1571.490       195.0860 82.00427 9.319379 84.32997 5.510174 -2.325699 
10.82649 
1 1 1 12  4   33 o 52.86365 6.849222  704.8337       130.4416 704.4872       
250.5520 704.9625       152.7794 50.18514 12.03000 55.54216 6.551836 -5.357025 
13.69844 
1 1 1 12  4   34 o 34.02723 7.943352  312.7765       120.3892 374.4078       
244.0249 292.9503       138.4052 34.82697 12.76067 33.22748 9.463223 1.599487 
15.88670 
1 1 1 12  4   35 o 37.48362 5.943286  468.4727       119.0172 -43.30992      
226.0885 664.6639       139.9830 21.64649 10.10883 53.32075 6.253170 -31.67426 
11.88657 
1 1 1 12  4   36 o 31.10264 6.320728  332.2685       113.5773 -37.96865      
236.2402 443.5720       129.5293 21.04029 9.965025 41.16500 7.778478 -20.12471 
12.64146 
1 1 1 12  5   0  o 240.7392 3.392305  12058.09       338.7402 12958.63       
528.6412 11430.75       441.2240 248.2677 5.071797 233.2108 4.506419 15.05690 
6.784610 
1 1 1 12  5   1  o 263.9798 4.439835  14701.71       489.7585 14207.68       
721.4682 15123.93       666.9824 259.8221 6.613971 268.1375 5.924857 -8.315460 
8.879670 
1 1 1 12  5   2  o 227.3941 3.168862  10870.66       302.2990 10353.33       
426.3786 11393.54       428.6614 221.9469 4.575805 232.8413 4.385059 -10.89441 
6.337723 
1 1 1 12  5   3  o 393.0185 3.703938  31831.39       547.4791 31057.79       
640.5593 33928.21       1054.589 384.4686 3.968438 401.5684 6.255248 -17.09982 
7.407876 
1 1 1 12  5   4  o 310.9117 5.071273  19920.02       454.1946 19761.05       
487.8288 20955.04       1244.767 306.6888 3.788703 315.1346 9.408346 -8.445740 
10.14255 
1 1 1 12  5   5  o 228.6112 6.522153  10272.45       256.7716 10203.29       
262.2227 11884.27       1265.892 220.4158 2.833665 236.8066 12.73280 -16.39079 
13.04431 
1 1 1 12  5   6  o 492.3557 20.21514  52805.30       4030.315 51241.91       
5044.342 55565.03       6701.990 485.2534 24.76036 499.4580 31.96140 -14.20465 
40.43027 
1 1 1 12  5   7  o 327.6170 13.78510  22791.80       1896.074 22791.80       
1896.074 0.000000       0.000000 327.6170 13.78510 ?        ?        ? ? 
1 1 1 12  5   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  5   9  o 142.1145 5.306045  4198.874       294.6277 4407.616       
529.1801 4105.098       354.6861 144.5509 8.719742 139.6781 6.048350 4.872833 
10.61209 
1 1 1 12  5   10 o 165.9397 5.596242  5802.022       382.7520 5818.416       
601.8226 5790.887       495.9861 166.0704 8.631719 165.8089 7.124966 0.2615356 
11.19248 
1 1 1 12  5   11 o 66.48994 5.243090  922.2767       143.3649 887.2645       
183.4590 977.1940       229.7655 64.90831 6.732244 68.07157 8.039705 -3.163261 
10.48618 
1 1 1 12  5   12 o 407.8958 15.57436  36195.89       2663.797 37189.42       
3883.172 35312.79       3660.993 412.9214 22.39960 402.8701 21.64487 10.05130 
31.14872 
1 1 1 12  5   13 o 328.5868 12.92626  23227.81       1764.112 23911.69       
2715.214 22728.25       2320.655 332.1393 19.47175 325.0344 17.00600 7.104919 
25.85253 
1 1 1 12  5   14 o 114.5297 5.334599  2760.039       255.4899 2861.277       
381.3216 2677.570       344.1635 116.4078 7.802441 112.6517 7.276929 3.756065 
10.66920 
1 1 1 12  5   15 o 138.4495 4.941020  4103.955       278.0905 3795.800       
444.0895 4302.742       356.6821 134.0094 7.893258 142.8895 5.945686 -8.880112 
9.882039 
1 1 1 12  5   16 o 77.28305 5.013917  1278.161       160.5354 1116.546       
236.6238 1415.990       218.5182 72.64900 7.758001 81.91709 6.353807 -9.268089 
10.02783 
1 1 1 12  5   17 o 104.1183 4.515746  2275.068       196.6731 2120.395       
264.6714 2465.781       293.8937 100.2016 6.291490 108.0350 6.479584 -7.833366 
9.031492 
1 1 1 12  5   18 o 67.04168 5.487414  954.9403       154.1757 890.1666       
218.1008 1019.639       217.9739 64.74150 8.024084 69.34186 7.487384 -4.600357 
10.97483 
1 1 1 12  5   19 o 104.3652 4.642252  2307.718       203.3891 2306.371       
285.7738 2309.100       289.5342 104.3404 6.523653 104.3900 6.606358 
-0.4957581E-01 9.284504 
1 1 1 12  5   20 o 118.3038 4.903636  2985.675       238.3124 3035.788       
308.3749 2911.369       375.5031 119.6941 6.136591 116.9135 7.650152 2.780670 
9.807272 
1 1 1 12  5   21 o 41.95230 6.411263  330.6526       123.4313 73.83487       
157.4941 739.5404       198.7255 25.06826 9.984702 58.83635 8.045054 -33.76810 
12.82253 
1 1 1 12  5   22 o 153.4057 4.323171  4968.763       260.0773 5049.723       
460.0084 4930.726       315.3087 154.0490 7.112591 152.7624 4.916326 1.286682 
8.646341 
1 1 1 12  5   23 o 95.95929 4.632831  1923.077       168.4734 2031.883       
319.3938 1881.134       198.3046 97.57702 7.796506 94.34155 5.006692 3.235466 
9.265661 
1 1 1 12  5   24 o 99.98508 4.081744  2132.845       150.1111 2091.615       
293.0048 2147.517       174.7923 99.08331 7.043609 100.8869 4.126756 -1.803543 
8.163488 
1 1 1 12  5   25 o 165.0171 4.994364  5839.446       333.9330 5755.131       
546.7605 5889.607       421.7259 163.6588 7.957541 166.3755 6.037569 -2.716690 
9.988729 
1 1 1 12  5   26 o 60.96649 6.205031  934.3275       131.1263 561.9691       
227.8994 1118.600       160.3219 49.40403 11.23783 72.52895 5.265050 -23.12492 
12.41006 
1 1 1 12  5   27 o 66.23309 4.943314  930.4329       127.1567 989.1288       
230.9931 904.9134       152.3109 67.38084 8.165518 65.08536 5.574024 2.295479 
9.886628 
1 1 1 12  5   28 o 35.31839 6.805066  264.7007       94.13306 344.7177       
185.1911 236.8240       109.3073 38.38278 10.95122 32.25400 8.081239 6.128777 
13.61013 
1 1 1 12  5   29 o 42.66765 6.322245  471.4972       99.36691 292.7180       
191.0825 537.7626       116.3338 35.37487 11.36319 49.96042 5.546268 -14.58555 
12.64449 
1 1 1 12  5   30 o 46.60739 5.968933  506.7588       99.61140 479.4354       
193.0573 516.6721       116.2859 44.44538 10.50035 48.76941 5.679377 -4.324024 
11.93787 
1 1 1 12  5   31 o 26.55143 7.824304  95.36193       116.0228 124.9072       
281.3800 89.30964       127.3530 30.07729 12.77401 23.02556 9.038998 7.051729 
15.64861 
1 1 1 12  5   32 o 89.97439 5.200468  1823.073       171.6040 1898.392       
337.2081 1796.750       199.3476 89.42928 8.981301 90.51949 5.245538 -1.090210 
10.40094 
1 1 1 12  5   33 o 41.03406 7.762010  385.3611       122.1823 630.0714       
248.1558 307.0557       140.3764 47.34060 12.35529 34.72751 9.399046 12.61309 
15.52402 
1 1 1 12  5   34 o 52.10347 6.862148  717.1594       123.1355 651.3079       
248.2103 738.6567       141.8172 47.13137 12.38263 57.07557 5.918336 -9.944195 
13.72430 
1 1 1 12  5   35 o 24.39434 6.793436  137.7040       105.9709 -64.11138      
233.7894 189.8909       118.8854 21.78328 10.20340 27.00540 8.971831 -5.222124 
13.58687 
1 1 1 12  5   36 o 42.64146 5.886482  674.6589       120.8189 20.36867       
237.4839 903.1396       140.3375 22.65174 10.49372 62.63118 5.337087 -39.97944 
11.77296 
1 1 1 12  5   37 o 20.61821 6.398510  68.99753       110.9226 -200.0251      
249.3878 135.3430       123.8473 18.72368 9.205453 22.51274 8.889507 -3.789068 
12.79702 
1 1 1 12  6   0  o 165.8795 2.576906  5784.863       178.9209 5835.742       
244.3316 5726.031       262.7340 166.6720 3.491709 165.0870 3.790744 1.585052 
5.153811 
1 1 1 12  6   1  o 257.1655 3.738678  14049.19       389.0679 13351.37       
633.6356 14471.51       492.9360 251.9258 5.990844 262.4052 4.474444 -10.47948 
7.477357 
1 1 1 12  6   2  o 226.8080 3.736120  10756.08       322.3017 10674.92       
381.3746 10958.92       602.8843 225.3975 4.030174 228.2186 6.292222 -2.821091 
7.472239 
1 1 1 12  6   3  o 219.1735 2.834424  10098.57       252.9909 10114.87       
321.0430 10071.88       410.9401 219.4322 3.484849 218.9149 4.471203 0.5173340 
5.668847 
1 1 1 12  6   4  o 166.7094 3.099625  5808.703       200.7132 5757.256       
241.1626 5924.659       362.0591 165.5501 3.469778 167.8688 5.137250 -2.318695 
6.199249 
1 1 1 12  6   5  o 181.0544 2.597380  6880.983       197.2690 7020.102       
285.9630 6754.669       272.4858 182.7969 3.726166 179.3119 3.619560 3.484940 
5.194759 
1 1 1 12  6   6  o 196.9234 6.720142  8102.522       540.7643 8535.041       
881.4331 7841.469       684.7803 200.9851 10.44591 192.8618 8.457192 8.123383 
13.44028 
1 1 1 12  6   7  o 350.9192 8.559749  26001.54       1237.783 25673.45       
1599.375 26491.52       1954.538 348.4532 10.93268 353.3852 13.17397 -4.932007 
17.11950 
1 1 1 12  6   8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  6   9  o 361.9500 11.93388  28145.19       1788.742 28962.90       
2364.821 27051.75       2734.606 368.7101 15.27687 355.1898 18.33814 13.52026 
23.86776 
1 1 1 12  6   10 o 127.3349 4.859499  3394.097       258.9220 3795.485       
382.1074 3053.325       352.0754 134.2599 6.778915 120.4100 6.964569 13.84991 
9.718997 
1 1 1 12  6   11 o 298.4326 9.467388  18804.33       1113.200 19302.45       
1955.590 18565.55       1353.976 300.7070 15.49014 296.1582 10.88950 4.548798 
18.93478 
1 1 1 12  6   12 o 74.87811 5.191809  1202.201       158.8082 1083.022       
248.2674 1284.738       206.6059 71.64248 8.254107 78.11375 6.299939 -6.471275 
10.38362 
1 1 1 12  6   13 o 211.0240 7.519588  9385.530       635.3983 9605.446       
1079.612 9268.988       785.9310 212.6149 12.09470 209.4332 8.938406 3.181702 
15.03918 
1 1 1 12  6   14 o 52.36250 6.850934  581.9976       144.6987 868.7806       
219.4427 361.3818       192.4698 64.13358 8.149985 40.59141 11.01449 23.54216 
13.70187 
1 1 1 12  6   15 o 233.1669 7.879821  11638.14       745.7022 11868.63       
946.6392 11261.24       1210.531 236.6383 9.528412 229.6955 12.55291 6.942841 
15.75964 
1 1 1 12  6   16 o 220.4890 8.122704  10415.80       726.0029 10195.68       
1185.468 10547.90       918.3710 218.1400 12.94421 222.8379 9.816353 -4.697906 
16.24541 
1 1 1 12  6   17 f 142.5918 6.039385  4282.005       358.1489 4535.837       
551.5486 4096.941       470.9459 146.1381 8.989621 139.0455 8.067430 7.092651 
12.07877 
1 1 1 12  6   18 o 208.8985 6.861764  9118.194       560.0732 9836.593       
1010.847 8799.965       672.7810 214.1393 11.24372 203.6577 7.868537 10.48166 
13.72353 
1 1 1 12  6   19 o 117.7721 4.223663  2862.652       205.6238 2553.547       
264.0564 3338.860       327.7490 109.9240 5.721702 125.6202 6.214454 -15.69618 
8.447326 
1 1 1 12  6   20 o 102.6612 4.341819  2183.685       181.5090 2044.449       
227.2409 2429.082       301.6800 98.33005 5.504543 106.9923 6.716068 -8.662247 
8.683638 
1 1 1 12  6   21 o 144.6262 5.766908  4484.465       346.6308 4585.745       
461.9332 4353.936       524.4089 146.6974 7.500284 142.5549 8.762114 4.142502 
11.53382 
1 1 1 12  6   22 f 80.10909 4.169255  1347.349       127.8094 1390.712       
237.1172 1329.591       151.7392 80.85713 6.984989 79.36104 4.554193 1.496094 
8.338510 
1 1 1 12  6   23 o 122.9541 4.242417  3177.302       203.4630 3277.816       
364.8385 3131.931       245.1196 124.1395 7.000223 121.7688 4.794716 2.370621 
8.484835 
1 1 1 12  6   24 o 34.27557 7.311825  197.2339       102.5473 408.3493       
213.0174 133.5493       116.9965 42.57310 11.60329 25.97803 8.900271 16.59507 
14.62365 
1 1 1 12  6   25 o 127.3129 4.383086  3477.260       215.1157 3370.502       
387.6056 3524.779       258.5961 125.5499 7.353508 129.0760 4.771970 -3.526024 
8.766172 
1 1 1 12  6   26 o 132.3821 3.800640  3732.086       205.3575 3693.867       
330.6981 3756.073       261.9941 131.6330 5.983951 133.1312 4.687406 -1.498260 
7.601279 
1 1 1 12  6   27 o 53.00880 5.624236  637.7205       107.4312 573.8170       
200.3038 663.5266       127.2881 50.23701 9.848112 55.78057 5.435328 -5.543560 
11.24847 
1 1 1 12  6   28 o 87.76422 3.808901  1649.089       130.6019 1641.274       
231.1584 1652.753       158.2863 87.31339 6.305941 88.21505 4.273875 
-0.9016571     7.617801 
1 1 1 12  6   29 o 97.01906 3.653400  2072.751       138.1618 1859.936       
238.4722 2180.278       169.5091 92.76069 6.123433 101.2774 3.986589 -8.516747 
7.306800 
1 1 1 12  6   30 o 53.71175 5.306080  695.5547       93.87183 556.1341       
190.2928 740.3936       107.9162 48.59166 9.671020 58.83184 4.369134 -10.24018 
10.61216 
1 1 1 12  6   31 o 70.03699 5.142353  959.2827       117.3976 1338.381       
290.7947 885.4645       128.3194 76.02604 9.110563 64.04795 4.772086 11.97809 
10.28471 
1 1 1 12  6   32 o 37.21197 7.811584  315.6619       114.8034 452.9957       
241.7926 275.6911       130.4446 40.83601 12.73720 33.58793 9.046940 7.248081 
15.62317 
1 1 1 12  6   33 o 36.10057 12.73631  363.3136       241.0737 363.3136       
241.0737 0.000000       0.000000 36.10057 12.73631 ?        ?        ? ? 
1 1 1 12  6   34 o 58.07438 6.914193  888.1056       130.9941 788.6783       
274.9698 917.2955       148.9871 52.13930 12.66839 64.00945 5.544029 -11.87016 
13.82839 
1 1 1 12  6   35 o 37.22809 8.185197  222.2433       114.8085 849.3525       
301.2117 115.6516       124.1829 51.38622 13.70550 23.06996 8.952603 28.31625 
16.37039 
1 1 1 12  6   36 o 39.17818 6.383316  532.1821       114.5779 125.8180       
243.9264 647.2254       129.7872 25.56215 11.34459 52.79422 5.855535 -27.23207 
12.76663 
1 1 1 12  6   37 o 33.02800 5.722151  383.6003       117.8909 -200.9364      
247.6989 554.7898       134.0469 18.83687 9.233129 47.21914 6.761758 -28.38228 
11.44430 
1 1 1 12  7   0  o 190.4795 2.936333  7528.248       216.7873 7873.799       
394.9233 7379.214       259.3568 193.5309 4.860529 187.4281 3.295977 6.102829 
5.872666 
1 1 1 12  7   1  o 101.0288 2.487907  2147.733       105.2085 2348.354       
149.2017 1949.326       148.3763 105.7324 3.361142 96.32518 3.668984 9.407204 
4.975813 
1 1 1 12  7   2  o 114.5294 2.529669  2709.929       119.1635 2976.364       
192.1332 2543.373       151.9102 119.0215 3.845014 110.0372 3.288278 8.984367 
5.059338 
1 1 1 12  7   3  o 129.0684 3.218156  3501.314       174.3129 3502.790       
243.1021 3499.751       250.0770 129.0987 4.485262 129.0381 4.616117 
0.6057739E-01  6.436312 
1 1 1 12  7   4  o 103.2200 3.064024  2236.211       132.3065 2206.725       
179.1381 2271.598       196.2498 102.4768 4.163739 103.9633 4.496249 -1.486473 
6.128048 
1 1 1 12  7   5  o 58.95642 3.163077  726.4513       77.41404 890.8234       
114.0634 586.0785       105.4081 65.10966 4.172748 52.80318 4.754829 12.30647 
6.326154 
1 1 1 12  7   6  o 197.2649 2.841520  8175.199       230.7669 8183.568       
364.0367 8169.577       298.3775 197.3305 4.394121 197.1993 3.603975 0.1312408 
5.683040 
1 1 1 12  7   7  o 227.7162 6.993967  10949.57       621.1396 10948.34       
750.6732 10952.24       1106.118 227.9472 7.844003 227.4852 11.58162 0.4619293 
13.98793 
1 1 1 12  7   8  o 179.3660 7.997522  6780.404       602.2468 6780.404       
602.2468 0.000000       0.000000 179.3660 7.997522 ?        ?        ? ? 
1 1 1 12  7   9  o 103.4886 6.145224  2253.621       266.9987 0.000000       
0.000000 2253.621       266.9987 ?        ?        103.4886 6.145224 ? ? 
1 1 1 12  7   10 o 294.4573 10.49518  18504.97       1256.362 18311.87       
2043.290 18622.36       1593.101 292.6778 16.62881 296.2369 12.80930 -3.559113 
20.99037 
1 1 1 12  7   11 o 372.5405 12.38024  29826.66       1929.738 30750.81       
2649.131 28781.90       2816.693 379.0789 16.64543 366.0020 18.33062 13.07700 
24.76049 
1 1 1 12  7   12 o 120.6151 4.796396  3075.625       241.7455 3206.964       
330.8292 2925.143       354.1174 123.4119 6.385105 117.8182 7.159056 5.593613 
9.592792 
1 1 1 12  7   13 o 159.4568 6.285757  5352.364       414.8464 5489.280       
646.7278 5256.643       540.7552 161.1019 9.561850 157.8117 8.161739 3.290268 
12.57151 
1 1 1 12  7   14 o 234.3528 9.082179  11711.35       892.8893 11407.11       
1276.860 12002.50       1249.071 231.2882 13.14955 237.4174 12.53129 -6.129181 
18.16436 
1 1 1 12  7   15 o 63.63846 5.526781  868.0016       145.3420 1009.203       
201.3394 714.3553       210.0248 69.16457 6.933719 58.11235 8.608414 11.05221 
11.05356 
1 1 1 12  7   16 o 124.9906 5.678191  3304.796       297.7494 3140.401       
418.5099 3473.294       423.7004 121.8246 8.182607 128.1566 7.874794 -6.331924 
11.35638 
1 1 1 12  7   17 o 130.6783 5.230482  3575.421       275.5316 3743.258       
463.7736 3483.864       342.5368 132.8933 8.312356 128.4633 6.351103 4.429932 
10.46096 
1 1 1 12  7   18 o 123.8235 4.262459  3086.743       213.2129 2724.978       
262.0156 3795.840       366.8320 113.6497 5.491361 133.9973 6.520673 -20.34756 
8.524918 
1 1 1 12  7   19 o 101.5685 4.013242  2182.751       162.4387 2190.414       
200.5995 2168.155       276.8436 101.9297 4.687598 101.2074 6.515434 0.7222900 
8.026484 
1 1 1 12  7   20 o 108.6632 4.219082  2497.308       188.4232 2490.254       
242.7421 2508.001       298.8698 108.5608 5.325903 108.7656 6.545026 
-0.2048645     8.438164 
1 1 1 12  7   21 o 34.14936 7.018582  264.9331       105.0266 189.4949       
188.6288 298.8279       126.4385 31.61730 11.25479 36.68142 8.388782 -5.064127 
14.03716 
1 1 1 12  7   22 o 104.9773 4.018920  2392.813       167.5478 2140.661       
279.1351 2534.825       209.4818 100.3790 6.623575 109.5756 4.553586 -9.196541 
8.037841 
1 1 1 12  7   23 o 95.44832 3.745291  1914.019       136.7981 1958.291       
253.3129 1895.792       162.5371 96.07705 6.279985 94.81958 4.082965 1.257469 
7.490582 
1 1 1 12  7   24 o 131.3676 4.376565  3717.121       218.7280 3527.461       
401.0005 3797.448       260.9685 128.6391 7.424943 134.0960 4.635464 -5.456985 
8.753131 
1 1 1 12  7   25 o 77.93355 4.858471  1334.756       142.5522 1199.907       
261.6833 1391.660       169.9887 74.77071 8.336153 81.09638 4.992748 -6.325676 
9.716943 
1 1 1 12  7   26 o 64.15440 6.129208  995.4547       137.1324 697.2480       
247.1415 1128.111       164.8357 55.42989 11.01117 72.87892 5.387290 -17.44904 
12.25842 
1 1 1 12  7   27 o 65.22205 4.607598  896.7189       114.2743 949.3519       
215.2392 876.0599       134.8491 66.24949 7.738555 64.19462 5.003460 2.054871 
9.215197 
1 1 1 12  7   28 o 58.04947 4.818480  690.2712       104.7210 811.6372       
206.9470 648.4967       121.4132 60.97810 8.083628 55.12083 5.246520 5.857269 
9.636961 
1 1 1 12  7   29 o 23.52417 6.758542  51.86862       94.49123 119.2980       
181.4057 26.76168       110.6937 27.46786 10.78637 19.58048 8.146514 7.887381 
13.51708 
1 1 1 12  7   30 o 55.35820 4.849929  689.6539       104.2520 618.7444       
180.5217 725.1369       127.6991 52.68055 8.162068 58.03585 5.240982 -5.355301 
9.699859 
1 1 1 12  7   31 o 31.94115 7.156292  246.9895       99.55075 174.6235       
220.0593 265.6097       111.6259 30.17118 11.86986 33.71113 7.997285 -3.539953 
14.31258 
1 1 1 12  7   32 f 34.25557 7.439756  275.4628       101.6203 309.0130       
231.9366 267.4922       113.0487 34.97443 12.47706 33.53671 8.106963 1.437717 
14.87951 
1 1 1 12  7   33 o 37.55397 7.915307  326.0617       118.3901 493.0739       
245.9302 275.6828       135.0711 41.88277 12.80204 33.22517 9.312152 8.657600 
15.83061 
1 1 1 12  7   34 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  7   35 o 27.27495 7.589536  174.6105       110.5137 145.7079       
270.6714 180.3926       121.0645 27.84007 12.18339 26.70984 9.053682 1.130222 
15.17907 
1 1 1 12  7   36 o 29.34136 6.468402  261.2216       112.7988 -122.4634      
241.5337 368.2445       127.5641 20.85733 9.955845 37.82540 8.260876 -16.96807 
12.93680 
1 1 1 12  7   37 o 21.91920 6.615319  96.56060       110.2932 -115.1473      
243.9794 150.9370       123.6488 20.10528 9.694349 23.73313 9.003854 -3.627850 
13.23064 
1 1 1 12  8   0  o 142.5932 2.665007  4234.797       156.9341 4472.733       
248.0648 4076.025       202.6390 145.8936 4.049954 139.2928 3.465099 6.600800 
5.330013 
1 1 1 12  8   1  o 104.5809 2.539917  2297.243       110.6226 2293.780       
147.3419 2301.716       167.4722 104.4958 3.358522 104.6659 3.811172 
-0.1700592     5.079834 
1 1 1 12  8   2  o 181.3643 3.424972  6921.370       246.8513 6935.313       
303.7397 6894.247       423.6532 181.6759 3.982220 181.0528 5.573477 0.6230927 
6.849944 
1 1 1 12  8   3  o 24.88828 5.174135  126.7610       60.64844 189.8473       
87.47363 68.36124       84.16190 29.43849 7.140586 20.33806 7.489908 9.100428 
10.34827 
1 1 1 12  8   4  f 240.1131 4.426645  12089.24       425.9609 11991.25       
527.7495 12272.41       721.5058 238.8051 5.263871 241.4210 7.118456 -2.615906 
8.853291 
1 1 1 12  8   5  o 107.6125 2.455917  2410.636       109.5526 2566.913       
171.1410 2302.140       142.5972 110.5356 3.687849 104.6894 3.244362 5.846153 
4.911834 
1 1 1 12  8   6  o 160.9705 3.025620  5448.800       200.5324 5427.723       
315.8360 5463.035       259.5644 160.6918 4.681541 161.2492 3.834145 
-0.5573578     6.051239 
1 1 1 12  8   7  o 111.0102 4.468652  2591.623       208.0386 2765.312       
298.0956 2426.701       290.4745 114.6394 6.193594 107.3811 6.443198 7.258324 
8.937304 
1 1 1 12  8   8  o 140.1218 5.220885  4148.978       306.0274 3930.830       
444.4717 4345.606       421.9799 136.5841 7.751133 143.6595 6.996462 -7.075424 
10.44177 
1 1 1 12  8   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  8   10 o 169.0690 5.747618  6025.305       400.5561 6035.183       
629.4402 6018.583       519.2687 169.1150 8.865302 169.0231 7.317574 
0.9182739E-01  11.49524 
1 1 1 12  8   11 o 299.6162 11.05233  19158.28       1380.239 19251.17       
2081.996 19085.44       1843.581 299.9632 16.53229 299.2692 14.67308 0.6940308 
22.10466 
1 1 1 12  8   12 o 342.1317 11.99174  24958.34       1646.417 25606.46       
2782.989 24609.37       2042.114 344.4850 19.24253 339.7784 14.31546 4.706573 
23.98348 
1 1 1 12  8   13 o 68.37450 5.683075  983.5397       162.8446 908.4424       
223.8421 1067.970       237.3447 65.60649 8.126734 71.14252 7.946419 -5.536026 
11.36615 
1 1 1 12  8   14 o 285.5468 9.062734  17502.01       1029.469 16949.52       
1747.465 17795.68       1274.026 281.3724 14.79272 289.7211 10.47416 -8.348724 
18.12547 
1 1 1 12  8   15 o 181.5062 5.288957  6951.564       402.8817 6693.240       
563.0840 7222.512       576.6807 178.0459 7.532904 184.9666 7.426143 -6.920715 
10.57791 
1 1 1 12  8   16 o 48.89256 6.987234  522.6736       138.3051 571.9161       
204.0584 480.8317       188.1006 51.06996 9.869475 46.71515 9.893393 4.354805 
13.97447 
1 1 1 12  8   17 o 220.7435 5.914529  10343.11       540.9840 10430.64       
711.8416 10223.44       832.3489 222.0253 7.636635 219.4618 9.033739 2.563477 
11.82906 
1 1 1 12  8   18 o 65.37460 4.675550  890.2889       117.4862 871.2444       
139.6452 936.4246       217.3504 64.28458 5.174165 66.46461 7.789166 -2.180031 
9.351101 
1 1 1 12  8   19 o 121.8988 4.374505  3120.211       218.6576 3043.358       
279.0448 3242.469       351.9502 120.0559 5.536199 123.7418 6.774635 -3.685921 
8.749010 
1 1 1 12  8   20 o 101.3349 3.819719  2216.055       157.0082 1970.140       
248.8881 2378.608       202.3526 96.46819 6.145271 106.2017 4.538354 -9.733513 
7.639438 
1 1 1 12  8   21 o 73.77382 4.329209  1144.962       124.0798 1176.213       
223.8998 1131.110       149.0628 74.36372 7.171560 73.18391 4.851487 1.179817 
8.658418 
1 1 1 12  8   22 o 126.7120 3.641321  3341.184       186.0124 3585.553       
314.7230 3209.992       230.5999 130.1006 5.761961 123.3235 4.453838 6.777115 
7.282642 
1 1 1 12  8   23 o 130.5938 4.519907  3607.430       227.9267 3650.472       
414.1826 3588.734       272.9778 130.8728 7.538129 130.3148 4.989472 0.5579376 
9.039813 
1 1 1 12  8   24 o 144.2702 5.203638  4386.432       281.9756 4543.251       
539.5609 4327.510       330.7333 145.5580 8.829282 142.9825 5.509552 2.575562 
10.40728 
1 1 1 12  8   25 o 65.59135 5.043490  755.5348       125.0438 1361.449       
253.7442 561.1961       143.7045 79.82915 7.571044 51.35355 6.665318 28.47560 
10.08698 
1 1 1 12  8   26 o 56.01405 5.147747  565.1978       109.3135 956.1789       
221.0707 438.6635       125.7643 66.69470 7.895160 45.33340 6.607848 21.36130 
10.29549 
1 1 1 12  8   27 o 72.01920 4.229241  1132.035       111.5844 1056.176       
215.9461 1159.668       130.3324 70.02586 7.345274 74.01254 4.194385 -3.986679 
8.458482 
1 1 1 12  8   28 o 90.04340 3.512725  1658.514       120.1205 1887.383       
230.6541 1573.341       140.7074 93.89103 5.851377 86.19578 3.888231 7.695251 
7.025451 
1 1 1 12  8   29 o 94.27791 3.903040  1963.255       142.4173 1748.204       
248.4271 2068.528       173.8147 89.89796 6.582188 98.65787 4.196391 -8.759911 
7.806080 
1 1 1 12  8   30 o 25.79373 6.707991  105.3181       90.93625 205.8647       
163.2742 60.10317       109.4901 30.59372 10.51138 20.99374 8.336637 9.599977 
13.41598 
1 1 1 12  8   31 o 19.08258 6.341286  -121.5648      95.93263 -1.951180      
220.9229 -149.3604      106.4972 24.82330 10.93396 13.34185 6.426212 11.48145 
12.68257 
1 1 1 12  8   32 o 34.06221 7.445041  247.7454       99.38930 372.2263       
222.4153 216.6860       111.0989 37.93288 12.26697 30.19154 8.440138 7.741346 
14.89008 
1 1 1 12  8   33 o 30.45376 7.333010  228.5661       104.7344 174.6071       
224.9982 243.4921       118.3368 29.31696 11.83228 31.59057 8.665411 -2.273613 
14.66602 
1 1 1 12  8   34 o 31.17619 7.840106  189.2145       113.0685 424.1685       
239.2536 121.6501       128.2998 38.29548 12.72759 24.05691 9.158468 14.23856 
15.68021 
1 1 1 12  8   35 o 33.18992 9.075713  285.1931       130.0577 0.000000       
0.000000 285.1931       130.0577 ?        ?        33.18992 9.075713 ? ? 
1 1 1 12  8   36 o 51.05772 6.970904  457.9392       121.2261 1285.745       
303.0198 300.2056       132.2723 68.59632 10.52183 33.51913 9.146864 35.07719 
13.94181 
1 1 1 12  8   37 o 27.03184 6.959199  220.6000       111.4085 38.79176       
234.1255 273.8175       126.6687 22.86182 10.52485 31.20186 9.107653 -8.340042 
13.91840 
1 1 1 12  8   38 o 18.57074 6.186200  -20.62852      109.2271 -27.36059      
224.2628 -18.53491      125.0634 20.38524 9.680440 16.75623 7.704892 3.629005 
12.37240 
1 1 1 12  9   0  o 273.8190 4.298375  15833.54       442.6904 15904.66       
521.6125 15650.41       837.0314 275.0714 4.516726 272.5666 7.314594 2.504761 
8.596749 
1 1 1 12  9   1  o 248.8657 4.088914  13065.66       425.0052 13433.16       
577.3027 12630.80       627.9872 252.7277 5.440913 245.0037 6.105191 7.723999 
8.177829 
1 1 1 12  9   2  o 155.7615 2.734144  5107.857       175.1267 5047.036       
276.3097 5148.695       226.4105 154.9699 4.246879 156.5532 3.444734 -1.583313 
5.468287 
1 1 1 12  9   3  o 305.9403 4.712955  19737.05       603.7742 19151.21       
878.4554 20261.59       831.2316 301.5945 6.937728 310.2860 6.380885 -8.691467 
9.425909 
1 1 1 12  9   4  o 132.7838 2.802927  3704.060       155.9296 3715.719       
228.1735 3693.845       213.5843 132.9757 4.087088 132.5919 3.836838 0.3838348 
5.605855 
1 1 1 12  9   5  o 173.2207 2.410029  6299.858       174.7472 6260.760       
237.7824 6345.772       257.6741 172.6412 3.280623 173.8002 3.531356 -1.158981 
4.820059 
1 1 1 12  9   6  o 304.6290 4.364589  19504.88       555.0908 19327.97       
745.0499 19725.60       832.1930 303.1142 5.854639 306.1438 6.474701 -3.029541 
8.729178 
1 1 1 12  9   7  f 46.17810 5.012603  414.2690       92.20805 346.7391       
111.0012 564.6147       165.6247 40.58817 6.514023 51.76804 7.620517 -11.17987 
10.02521 
1 1 1 12  9   8  o 355.2828 9.700333  26764.63       1443.372 27511.14       
2128.190 26128.78       1964.137 359.7456 14.09081 350.8200 13.33547 8.925537 
19.40067 
1 1 1 12  9   9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  9   10 o 365.0002 13.42373  28580.60       2047.806 29383.45       
3060.966 27930.14       2755.180 369.2722 19.74390 360.7281 18.19245 8.544159 
26.84747 
1 1 1 12  9   11 o 61.35621 5.405573  775.4506       133.8780 858.1956       
227.2770 731.4838       165.6712 63.77583 8.488295 58.93659 6.695500 4.839245 
10.81115 
1 1 1 12  9   12 o 217.4262 6.975663  9847.527       592.1782 10405.30       
1066.199 9598.709       712.1154 221.5305 11.46373 213.3220 7.951257 8.208496 
13.95133 
1 1 1 12  9   13 o 233.7628 7.675959  11579.06       753.1691 11773.98       
1079.000 11393.84       1051.804 235.6703 10.90531 231.8552 10.80536 3.815048 
15.35192 
1 1 1 12  9   14 o 162.9034 4.861449  5553.330       325.0728 5788.411       
522.1110 5404.514       415.4125 165.6305 7.508336 160.1764 6.177348 5.454086 
9.722898 
1 1 1 12  9   15 o 30.06329 7.759230  98.87109       139.7891 295.4729       
208.3986 -61.94761      188.4818 37.48264 11.84949 22.64394 10.02059 14.83870 
15.51846 
1 1 1 12  9   16 o 71.78574 4.965794  1077.208       148.8258 1246.294       
222.5354 940.3897       200.1784 76.83895 6.898247 66.73254 7.144973 10.10641 
9.931588 
1 1 1 12  9   17 o 45.66525 6.466568  447.7292       117.6804 404.3284       
150.9260 515.0352       187.9501 42.91432 8.680320 48.41619 9.587392 -5.501873 
12.93314 
1 1 1 12  9   18 o 45.37867 6.457787  461.7838       117.3153 514.2449       
150.8450 381.4823       186.6265 49.28646 7.289944 41.47088 10.66156 7.815582 
12.91557 
1 1 1 12  9   19 o 57.04354 5.972065  691.0453       137.6435 544.3845       
183.8930 877.8934       207.5641 49.77509 9.141423 64.31200 7.687433 -14.53690 
11.94413 
1 1 1 12  9   20 o 24.50233 6.762840  29.50152       97.22430 185.6126       
179.8542 -34.95154      115.5648 31.19410 11.00136 17.81056 7.868553 13.38354 
13.52568 
1 1 1 12  9   21 o 92.14551 3.452446  1788.425       129.2645 1811.867       
211.8957 1774.529       163.1362 92.55672 5.452996 91.73428 4.235843 0.8224411 
6.904891 
1 1 1 12  9   22 o 163.3215 5.142686  5648.467       334.8235 5783.373       
574.0912 5578.923       412.1860 164.4320 8.316022 162.2109 6.052493 2.221100 
10.28537 
1 1 1 12  9   23 o 203.9549 6.867481  8772.605       540.9049 9425.365       
995.2366 8498.958       644.3845 208.2836 11.38131 199.6262 7.688622 8.657379 
13.73496 
1 1 1 12  9   24 f 31.87410 6.480607  232.6173       112.5997 -109.6836      
207.0780 376.3111       134.1680 22.44003 10.17990 41.30816 8.022641 -18.86812 
12.96121 
1 1 1 12  9   25 o 99.61950 4.224380  2043.864       166.8531 2292.160       
295.2383 1927.345       202.2486 103.7832 6.775893 95.45577 5.046663 8.327454 
8.448759 
1 1 1 12  9   26 o 75.23863 3.977155  1205.166       115.4859 1194.391       
208.9275 1209.906       138.5815 74.82314 6.650905 75.65414 4.363084 
-0.8310013     7.954309 
1 1 1 12  9   27 o 38.95966 5.828628  355.7792       86.55896 279.9863       
157.7425 388.4340       103.5399 35.23084 10.12499 42.68847 5.777213 -7.457634 
11.65726 
1 1 1 12  9   28 o 74.35851 4.509879  1229.278       119.5890 1104.448       
238.0188 1271.431       138.3147 71.28313 7.953267 77.43389 4.254596 -6.150757 
9.019758 
1 1 1 12  9   29 o 32.58150 6.757431  203.0755       93.10553 362.3200       
174.5778 139.7783       110.0649 39.41355 10.39855 25.74946 8.632594 13.66409 
13.51486 
1 1 1 12  9   30 o 95.38604 3.102247  1976.270       118.4225 1814.436       
195.4639 2070.122       148.8513 91.99495 5.060853 98.77713 3.589362 -6.782181 
6.204495 
1 1 1 12  9   31 o 51.25637 6.274606  553.2034       109.9709 707.4152       
240.4276 512.4049       123.6652 54.03437 10.98018 48.47837 6.076040 5.555996 
12.54921 
1 1 1 12  9   32 o 40.72284 6.241576  440.3646       96.59003 270.8185       
183.3807 505.4624       113.6300 33.34984 11.14278 48.09584 5.627386 -14.74600 
12.48315 
1 1 1 12  9   33 o 21.61755 6.693796  23.91850       106.2013 -86.36961      
223.4469 56.10261       120.7065 22.29033 10.26979 20.94477 8.588305 1.345560 
13.38759 
1 1 1 12  9   34 o 71.53099 4.918337  1138.839       119.7595 1227.882       
262.9141 1115.527       134.5262 71.49989 8.758498 71.56210 4.477595 
-0.6221008E-01 9.836674 
1 1 1 12  9   35 o 23.01818 7.076216  55.76177       111.8590 79.50827       
229.3785 48.35251       128.1268 25.52763 11.19318 20.50874 8.660491 5.018894 
14.15243 
1 1 1 12  9   36 o 19.83267 6.645123  -52.76289      114.5250 -122.5294      
279.8421 -38.72736      125.5174 22.56859 10.75926 17.09675 7.801854 5.471836 
13.29025 
1 1 1 12  9   37 o 17.76924 8.544097  -147.7236      186.2836 -147.7236      
186.2836 0.000000       0.000000 17.76924 8.544097 ?        ?        ? ? 
1 1 1 12  9   38 o 23.02981 7.080775  119.5424       116.9759 171.3542       
225.5856 100.4872       136.8057 24.75833 10.95863 21.30128 8.969828 3.457047 
14.16155 
1 1 1 12  10  0  o 301.7494 3.432606  18995.91       407.7492 19572.24       
718.9886 18722.67       495.0584 305.0133 5.614671 298.4855 3.950520 6.527832 
6.865212 
1 1 1 12  10  1  o 497.0478 6.241426  51993.35       1204.472 51765.73       
1448.609 52503.17       2167.986 495.7808 6.959571 498.3148 10.36272 -2.534058 
12.48285 
1 1 1 12  10  2  o 252.5755 3.420807  13378.99       347.0235 13525.61       
584.4094 13299.14       431.2934 253.5861 5.489248 251.5649 4.083606 2.021149 
6.841614 
1 1 1 12  10  3  o 218.5369 3.514316  10052.59       322.0188 10329.93       
448.1976 9756.682       462.9680 221.6665 4.816046 215.4073 5.119313 6.259186 
7.028632 
1 1 1 12  10  4  o 296.0363 3.234061  18280.68       381.5324 17982.96       
468.7735 18864.89       656.6689 292.5529 3.816626 299.5197 5.222064 -6.966705 
6.468121 
1 1 1 12  10  5  o 358.2712 4.900603  26953.15       700.7935 27264.58       
1196.206 26790.40       864.7267 359.6757 7.921658 356.8668 5.771568 2.808899 
9.801207 
1 1 1 12  10  6  o 189.7863 3.365947  7497.064       258.2631 7845.767       
431.9272 7303.019       322.2059 193.1527 5.326364 186.4199 4.116824 6.732834 
6.731894 
1 1 1 12  10  7  o 163.2479 2.693630  5599.242       184.6063 5626.637       
262.4991 5572.434       259.6693 163.6425 3.820787 162.8533 3.797914 0.7892151 
5.387259 
1 1 1 12  10  8  o 181.2063 5.497486  6906.706       407.9104 6980.557       
655.0515 6859.930       521.3255 181.9184 8.576694 180.4941 6.879660 1.424255 
10.99497 
1 1 1 12  10  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  10  10 o 303.9979 9.765244  19638.83       1206.034 19584.29       
1524.056 19730.18       1972.621 303.9361 11.94372 304.0597 15.45275 
-0.1235657     19.53049 
1 1 1 12  10  11 o 96.46431 4.721572  1934.222       187.9654 2094.321       
299.0833 1829.705       241.6528 99.69775 7.145422 93.23087 6.173810 6.466873 
9.443145 
1 1 1 12  10  12 o 240.2043 7.545498  12146.69       749.1389 12629.23       
1176.717 11817.83       971.4373 244.0233 11.48581 236.3854 9.788478 7.637894 
15.09100 
1 1 1 12  10  13 o 269.7672 9.203901  15603.48       1009.216 15045.42       
1630.599 15949.99       1284.888 265.3257 14.63824 274.2085 11.16106 -8.882782 
18.40780 
1 1 1 12  10  14 o 90.44269 4.895953  1673.229       182.9688 2043.983       
291.6779 1432.680       234.9429 98.44867 7.056914 82.43671 6.788326 16.01196 
9.791905 
1 1 1 12  10  15 o 83.84885 5.245065  1491.281       182.5428 1434.613       
276.9866 1534.789       242.7057 82.39463 8.007205 85.30305 6.776983 -2.908424 
10.49013 
1 1 1 12  10  16 o 140.2564 5.198767  4159.729       302.5119 4181.731       
399.0063 4129.986       463.9294 140.7627 6.751701 139.7501 7.907165 1.012589 
10.39753 
1 1 1 12  10  17 f 204.5963 5.063571  8817.486       419.1810 8732.945       
525.6392 8965.173       694.7446 203.4398 6.154217 205.7528 8.042675 -2.312943 
10.12714 
1 1 1 12  10  18 o 268.1469 7.897309  15356.79       881.1645 15119.42       
1167.062 15671.52       1343.869 266.0693 10.44769 270.2244 11.84550 -4.155060 
15.79462 
1 1 1 12  10  19 o 47.32751 5.082788  534.5560       86.52156 358.3441       
148.9213 624.3434       106.3034 40.22878 9.038575 54.42624 4.652215 -14.19746 
10.16558 
1 1 1 12  10  20 o 60.99856 4.879674  808.4446       113.1664 742.7116       
205.8510 836.9153       135.4751 59.03670 8.305237 62.96043 5.125224 -3.923729 
9.759348 
1 1 1 12  10  21 o 47.86948 6.210219  624.9346       109.0038 225.8193       
189.6200 821.9203       133.2148 33.36812 11.33076 62.37084 5.087354 -29.00272 
12.42044 
1 1 1 12  10  22 o 132.8773 4.951409  3860.705       259.4860 3430.090       
437.1545 4094.964       322.4330 126.6640 8.220590 139.0907 5.521567 -12.42676 
9.902818 
1 1 1 12  10  23 o 47.31085 5.902808  425.5459       106.8560 663.2998       
204.1138 335.7860       125.4151 55.63984 8.737912 38.98186 7.938607 16.65798 
11.80562 
1 1 1 12  10  24 o 260.8249 8.734836  14981.13       909.6473 14494.78       
1527.430 15248.42       1132.353 255.8290 14.22108 265.8209 10.14644 -9.991928 
17.46967 
1 1 1 12  10  25 o 40.61126 6.408810  373.1000       99.23073 327.4647       
187.6351 390.8191       116.9187 38.34002 11.05065 42.88250 6.494189 -4.542484 
12.81762 
1 1 1 12  10  26 o 21.11782 6.249278  15.89442       90.31850 52.59383       
148.8200 -5.504703      113.6396 23.56005 9.577562 18.67558 8.030205 4.884468 
12.49856 
1 1 1 12  10  27 o 62.49627 4.858369  846.8079       113.4404 815.2514       
214.6360 859.0396       133.6293 61.37608 8.329608 63.61647 5.003263 -2.240387 
9.716739 
1 1 1 12  10  28 o 144.7630 4.484293  4527.188       260.4143 4383.857       
433.9502 4607.854       325.5489 142.4799 7.254496 147.0461 5.273314 -4.566193 
8.968587 
1 1 1 12  10  29 o 109.6071 3.053041  2566.826       131.3844 2511.126       
229.5652 2593.957       160.2187 108.4793 5.040576 110.7348 3.446277 -2.255455 
6.106081 
1 1 1 12  10  30 o 59.57179 4.680724  803.2065       107.4927 680.9932       
185.4936 864.9981       131.8969 55.56922 7.950889 63.57436 4.941668 -8.005146 
9.361448 
1 1 1 12  10  31 o 53.88471 6.282221  755.7253       101.3911 527.9249       
229.1802 811.1617       113.0570 46.19333 11.77878 61.57610 4.373269 -15.38278 
12.56444 
1 1 1 12  10  32 o 79.84453 4.950706  1400.886       136.2885 1451.525       
292.9518 1386.899       153.9648 79.43942 8.783774 80.24963 4.569823 
-0.8102112     9.901413 
1 1 1 12  10  33 o 80.89068 4.987665  1468.512       146.7047 1491.356       
290.5455 1460.696       169.9622 79.86647 8.665043 81.91489 4.942089 -2.048416 
9.975330 
1 1 1 12  10  34 o 39.67921 7.535133  342.3296       113.8886 598.3032       
236.5143 265.0604       129.9460 46.80126 11.98477 32.55716 9.136647 14.24411 
15.07027 
1 1 1 12  10  35 o 44.77904 7.381527  549.3439       124.6805 480.7335       
252.1649 571.5446       143.4408 39.83512 13.06650 49.72295 6.871270 -9.887829 
14.76305 
1 1 1 12  10  36 o 47.53625 7.257067  649.6942       129.3615 513.8397       
247.4477 700.7875       151.7497 40.21818 12.93219 54.85432 6.589282 -14.63614 
14.51413 
1 1 1 12  10  37 o 31.66306 7.402532  298.2525       112.2672 260.8833       
216.9470 311.9197       131.2006 29.42600 11.71924 33.90012 9.047059 -4.474112 
14.80506 
1 1 1 12  10  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  11  0  o 152.6547 2.610827  4890.325       164.7999 4859.704       
214.8542 4934.086       256.8539 152.0882 3.364878 153.2211 3.992902 -1.132904 
5.221654 
1 1 1 12  11  1  o 331.7312 4.057817  23130.33       531.5462 23227.87       
925.7804 23082.37       649.2222 332.1200 6.639479 331.3423 4.666997 0.7777100 
8.115635 
1 1 1 12  11  2  o 257.8788 3.682970  13932.70       394.7932 14356.07       
606.2858 13621.03       520.1941 261.2364 5.527960 254.5212 4.868134 6.715164 
7.365940 
1 1 1 12  11  3  o 213.0905 3.602956  9548.659       322.3149 9674.176       
456.4787 9423.863       455.1683 214.4890 5.069168 211.6921 5.121397 2.796860 
7.205912 
1 1 1 12  11  4  o 230.1354 3.825842  11187.97       334.9280 11255.09       
397.7014 11024.27       621.1242 231.4235 4.093274 228.8473 6.464779 2.576141 
7.651683 
1 1 1 12  11  5  o 264.0231 4.035939  14869.89       394.8238 15109.57       
462.4816 14225.74       758.1776 268.1383 4.108249 259.9079 6.948203 8.230347 
8.071878 
1 1 1 12  11  6  o 204.7179 2.764943  8805.855       237.5200 8788.146       
330.5158 8824.770       341.5646 204.5083 3.849483 204.9276 3.970027 
-0.4192963     5.529886 
1 1 1 12  11  7  o 125.9264 2.873763  3338.092       150.1847 3294.361       
229.7364 3370.727       198.4650 125.1941 4.370862 126.6587 3.732242 -1.464638 
5.747527 
1 1 1 12  11  8  f 372.0407 10.54296  29508.70       1585.443 29442.06       
2619.958 29547.20       1991.465 370.9524 16.82276 373.1290 12.71261 -2.176666 
21.08591 
1 1 1 12  11  9  o 173.7237 8.739348  6369.026       637.4072 6369.026       
637.4072 0.000000       0.000000 173.7237 8.739348 ?        ?        ? ? 
1 1 1 12  11  10 o 220.1412 11.28048  10266.71       1042.577 0.000000       
0.000000 10266.71       1042.577 ?        ?        220.1412 11.28048 ? ? 
1 1 1 12  11  11 o 211.4166 5.864411  9406.882       519.3633 9789.089       
765.7433 9081.274       706.7767 215.3595 8.469160 207.4737 8.114098 7.885757 
11.72882 
1 1 1 12  11  12 o 214.7237 7.252301  9544.339       604.0838 10328.54       
1106.454 9211.321       721.0283 220.5425 11.94983 208.9048 8.221006 11.63773 
14.50460 
1 1 1 12  11  13 o 241.6602 8.387255  12365.20       824.6460 12592.60       
1348.505 12229.36       1042.241 243.0740 13.21402 240.2463 10.33314 2.827728 
16.77451 
1 1 1 12  11  14 o 63.21476 5.775179  840.8583       151.4589 865.7034       
234.3077 823.0255       198.5070 63.98544 8.722208 62.44407 7.571913 1.541374 
11.55036 
1 1 1 12  11  15 o 227.6851 5.422739  10928.66       514.9426 10764.14       
687.4510 11138.99       777.2704 225.8121 7.251297 229.5582 8.064928 -3.746109 
10.84548 
1 1 1 12  11  16 o 102.5085 4.396860  2189.279       178.9771 2135.462       
218.6919 2298.431       311.4534 100.6976 5.172908 104.3195 7.111295 -3.621918 
8.793719 
1 1 1 12  11  17 o 116.0368 4.178427  2841.016       203.4975 2782.333       
289.1140 2898.635       286.4821 114.8405 5.996459 117.2330 5.820610 -2.392509 
8.356854 
1 1 1 12  11  18 o 82.04661 3.892549  1379.603       117.2127 1503.793       
235.7474 1338.822       135.0939 84.33680 6.658110 79.75642 4.034515 4.580383 
7.785098 
1 1 1 12  11  19 o 25.63092 6.398813  111.3360       81.94425 166.9954       
143.5495 84.43167       99.80310 29.00850 9.858656 22.25334 8.160034 6.755163 
12.79763 
1 1 1 12  11  20 f 262.1415 6.117726  14642.89       651.1493 14742.00       
1066.851 14584.05       822.0191 262.3081 9.687527 261.9750 7.473829 0.3331604 
12.23545 
1 1 1 12  11  21 o 50.91026 5.898553  600.0624       105.0754 489.2370       
201.6159 641.3890       123.1176 46.74049 10.52737 55.08004 5.324108 -8.339554 
11.79711 
1 1 1 12  11  22 o 117.7721 3.269652  2991.938       157.9397 2536.749       
238.4080 3347.956       210.8441 109.5282 5.184608 126.0159 3.985263 -16.48775 
6.539303 
1 1 1 12  11  23 o 52.16577 5.849944  637.3097       107.0695 497.6557       
201.2055 692.4781       126.4615 47.11085 10.44875 57.22069 5.264128 -10.10984 
11.69989 
1 1 1 12  11  24 o 108.5031 4.079323  2497.904       167.6069 2483.696       
313.5717 2503.587       198.3133 108.0754 6.910845 108.9309 4.336326 
-0.8554840     8.158646 
1 1 1 12  11  25 o 202.8274 5.668946  8865.580       464.3387 8538.143       
761.4033 9059.466       585.9016 199.2839 9.100468 206.3709 6.762344 -7.087067 
11.33789 
1 1 1 12  11  26 o 117.9278 3.244242  2982.724       150.4464 2817.734       
259.7833 3065.983       184.5424 115.2806 5.367548 120.5750 3.645526 -5.294319 
6.488484 
1 1 1 12  11  27 o 81.21420 4.283967  1473.364       130.6770 1249.758       
236.6540 1571.452       156.7394 76.25783 7.391804 86.17058 4.332518 -9.912750 
8.567933 
1 1 1 12  11  28 o 93.96194 3.371032  1808.573       119.7641 2032.103       
231.0874 1726.485       140.0388 97.56291 5.641733 90.36098 3.691379 7.201935 
6.742064 
1 1 1 12  11  29 o 173.9889 4.766475  6593.041       340.6338 6243.643       
531.6644 6836.332       443.6509 169.4882 7.471695 178.4896 5.920379 -9.001419 
9.532949 
1 1 1 12  11  30 o 68.37947 3.831121  1065.854       103.0066 746.7869       
159.1751 1295.743       135.1116 58.70477 6.458367 78.05417 4.123040 -19.34940 
7.662243 
1 1 1 12  11  31 o 50.37737 6.900057  695.1146       116.5268 407.3665       
241.8549 782.1047       132.9791 40.51723 12.75909 60.23750 5.258206 -19.72026 
13.80011 
1 1 1 12  11  32 o 33.46458 7.593471  258.4872       108.9250 280.4825       
227.3283 251.9324       124.0984 34.36584 12.34322 32.56332 8.848052 1.802525 
15.18694 
1 1 1 12  11  33 o 26.09422 7.384203  119.0596       111.0867 116.6956       
223.4375 119.8357       128.0313 27.73141 11.55822 24.45703 9.193110 3.274378 
14.76841 
1 1 1 12  11  34 o 56.42022 6.282248  750.1349       128.8479 803.0021       
245.4113 730.0158       151.3925 55.83939 10.85568 57.00105 6.326197 -1.161659 
12.56450 
1 1 1 12  11  35 o 41.24637 7.286572  471.7688       119.9159 376.2239       
241.9279 502.8887       138.0705 35.90288 12.74951 46.58986 7.058796 -10.68698 
14.57314 
1 1 1 12  11  36 o 20.72410 6.610937  4.717306       114.8436 -122.3660      
234.6162 44.76221       131.7005 21.07693 9.957986 20.37126 8.698073 0.7056656 
13.22187 
1 1 1 12  11  37 o 21.18619 6.614893  43.09433       109.9430 26.12085       
195.9022 50.89823       132.8342 22.08088 9.965080 20.29150 8.701979 1.789377 
13.22979 
1 1 1 12  11  38 o 39.70655 6.845410  521.8670       123.8060 295.2282       
215.9865 632.7756       151.0922 29.17117 11.66746 50.24193 7.163032 -21.07076 
13.69082 
1 1 1 12  12  0  o 75.26575 3.346175  1189.388       105.5981 1107.201       
146.3577 1278.629       152.5085 72.55608 4.804663 77.97543 4.658622 -5.419350 
6.692350 
1 1 1 12  12  1  o 154.3481 2.906607  5004.667       188.2934 5131.411       
270.3335 4885.237       262.4171 156.2446 4.121127 152.4517 4.099972 3.792862 
5.813214 
1 1 1 12  12  2  o 158.1018 2.760455  5179.836       178.6298 5573.718       
291.1631 4942.104       226.2021 162.8371 4.258967 153.3666 3.513070 9.470428 
5.520911 
1 1 1 12  12  3  o 238.3556 2.615783  11920.42       258.3158 11830.90       
338.3248 12045.56       399.9990 237.3027 3.395879 239.4085 3.979608 -2.105820 
5.231565 
1 1 1 12  12  4  o 174.0255 2.530049  6355.215       183.1548 6420.787       
279.2068 6305.686       242.6612 174.8022 3.804524 173.2488 3.336192 1.553345 
5.060097 
1 1 1 12  12  5  o 172.1860 2.836527  6246.348       204.5297 6629.120       
285.8021 5844.538       292.8232 177.6150 3.832717 166.7570 4.182562 10.85799 
5.673054 
1 1 1 12  12  6  f 218.7552 3.318608  10067.81       304.5296 9849.309       
436.7103 10274.63       424.8733 216.4350 4.806036 221.0753 4.577625 -4.640305 
6.637216 
1 1 1 12  12  7  o 130.0126 2.684337  3582.801       144.1774 3746.173       
190.3179 3362.763       220.8719 133.5344 3.394747 126.4909 4.159128 7.043541 
5.368674 
1 1 1 12  12  8  o 207.8826 5.765550  9109.434       501.4875 9051.380       
680.7094 9178.343       741.6200 207.1974 7.825253 208.5677 8.469456 -1.370224 
11.53110 
1 1 1 12  12  9  o 234.2261 7.586611  11620.64       742.4611 11683.86       
1003.732 11544.24       1103.316 235.0294 10.17224 233.4227 11.25843 1.606750 
15.17322 
1 1 1 12  12  10 o 296.5168 14.97870  18772.27       1864.671 0.000000       
0.000000 18772.27       1864.671 ?        ?        296.5168 14.97870 ? ? 
1 1 1 12  12  11 o 59.33051 5.603820  743.1458       139.4611 728.5500       
200.2897 756.8820       194.3022 58.75728 8.119287 59.90375 7.725825 -1.146465 
11.20764 
1 1 1 12  12  12 o 134.0003 4.731384  3794.875       260.4984 3727.945       
411.3023 3839.706       336.6198 132.9568 7.368374 135.0439 5.937258 -2.087082 
9.462768 
1 1 1 12  12  13 o 123.5993 5.373962  3170.431       275.9140 3592.578       
430.0797 2875.160       359.6899 130.4536 7.852607 116.7451 7.338559 13.70857 
10.74792 
1 1 1 12  12  14 o 223.5972 5.744911  10492.41       533.5370 10097.53       
699.3712 11042.19       825.2202 218.6876 7.617362 228.5068 8.601848 -9.819199 
11.48982 
1 1 1 12  12  15 o 210.9065 5.739254  9280.229       468.6096 9086.813       
560.1484 9731.250       855.3723 207.5801 6.427446 214.2328 9.510211 -6.652740 
11.47851 
1 1 1 12  12  16 o 183.3175 6.089002  7001.980       441.4990 6777.999       
536.5433 7471.644       776.9492 179.1185 7.134860 187.5166 9.869019 -8.398132 
12.17800 
1 1 1 12  12  17 o 21.55959 6.469139  -12.35587      94.12308 68.21090       
174.2252 -45.56100      111.8499 25.98012 10.44237 17.13905 7.639107 8.841063 
12.93828 
1 1 1 12  12  18 o 87.47505 4.064579  1680.379       137.8793 1434.836       
237.2581 1805.589       169.4252 82.35279 6.862206 92.59731 4.358135 -10.24451 
8.129158 
1 1 1 12  12  19 o 20.47768 6.305250  -12.01100      94.52028 -61.80526      
177.6821 7.641313       111.6248 21.79266 9.675669 19.16270 8.087407 2.629959 
12.61050 
1 1 1 12  12  20 o 40.26244 5.912861  222.0889       93.55886 709.9384       
201.9122 88.70644       105.5769 57.70853 8.333808 22.81635 8.390194 34.89219 
11.82572 
1 1 1 12  12  21 o 159.5057 5.074718  5489.614       321.8596 5152.914       
542.2353 5672.783       399.9371 155.3223 8.315246 163.6891 5.819599 -8.366791 
10.14944 
1 1 1 12  12  22 o 88.61466 4.233811  1620.737       145.2811 1778.180       
267.7251 1555.024       172.9622 91.43096 6.974561 85.79836 4.801679 5.632599 
8.467622 
1 1 1 12  12  23 f 60.03772 4.560602  739.4785       106.2719 832.7847       
196.0803 700.6708       126.4554 62.51463 7.470910 57.56082 5.232768 4.953804 
9.121203 
1 1 1 12  12  24 o 119.9001 3.506680  3080.621       167.7316 2896.238       
281.0095 3182.671       209.0573 116.9418 5.723639 122.8585 4.053044 -5.916656 
7.013360 
1 1 1 12  12  25 f 98.65475 3.893025  2071.662       143.5366 2037.575       
273.5571 2084.612       168.6118 97.89280 6.656077 99.41671 4.039704 -1.523911 
7.786050 
1 1 1 12  12  26 o 36.18935 6.043838  310.3712       92.56489 181.4003       
153.1556 384.5938       116.1864 29.88564 10.18318 42.49305 6.512663 -12.60741 
12.08768 
1 1 1 12  12  27 o 127.7426 4.110704  3523.978       208.6748 3317.721       
352.2188 3635.532       259.0298 124.5076 6.738105 130.9776 4.710575 -6.469963 
8.221409 
1 1 1 12  12  28 o 47.33664 5.289452  557.5615       90.24024 320.7081       
149.1395 694.3603       113.3429 37.49524 9.466785 57.17804 4.721567 -19.68280 
10.57890 
1 1 1 12  12  29 o 78.97522 4.046637  1346.843       130.2175 1288.648       
208.5220 1384.046       166.7227 77.36060 6.420267 80.58985 4.927601 -3.229256 
8.093273 
1 1 1 12  12  30 o 91.52068 4.732786  1666.845       141.3242 2072.136       
342.9659 1583.953       155.1045 96.77377 8.441398 86.26759 4.282504 10.50619 
9.465571 
1 1 1 12  12  31 o 24.22544 6.593002  25.81494       89.35721 239.3491       
179.7159 -44.31219      102.9902 32.44502 11.03088 16.00587 7.224291 16.43915 
13.18600 
1 1 1 12  12  32 o 35.68642 7.600747  304.5900       112.0963 303.0918       
234.6536 305.0330       127.5971 35.42840 12.55885 35.94445 8.565087 
-0.5160561     15.20149 
1 1 1 12  12  33 f 42.05209 7.312300  416.8703       115.1669 496.7217       
231.7811 390.6932       132.7082 43.35863 12.21354 40.74556 8.044150 2.613068 
14.62460 
1 1 1 12  12  34 o 35.78947 7.689481  324.6632       114.6799 337.7689       
240.1610 320.7922       130.5220 35.39539 12.68943 36.18355 8.688542 
-0.7881660     15.37896 
1 1 1 12  12  35 o 31.33624 7.793795  173.0700       113.2016 476.7750       
241.2916 87.35951       128.1838 40.33041 12.75045 22.34207 8.966550 17.98834 
15.58759 
1 1 1 12  12  36 o 22.58785 6.722740  77.99873       107.7819 -2.444541      
192.2829 114.8544       130.1512 21.81181 9.856563 23.36389 9.144896 -1.552082 
13.44548 
1 1 1 12  12  37 o 48.67755 7.194824  659.5903       124.9984 622.5271       
252.7034 671.5962       143.8259 43.79272 12.89012 53.56238 6.395850 -9.769661 
14.38965 
1 1 1 12  12  38 o 22.08472 6.904878  81.26434       118.4870 -0.6247989     
247.8142 105.5326       134.9064 22.23142 10.42971 21.93802 9.051544 0.2934017 
13.80976 
1 1 1 12  12  39 o 17.88307 5.997870  -51.41648      115.6765 -127.6529      
214.6208 -20.20190      137.3312 18.44552 8.932199 17.32061 8.007097 1.124916 
11.99574 
1 1 1 12  13  0  o 115.3103 4.626988  2796.701       223.9987 0.000000       
0.000000 2796.701       223.9987 ?        ?        115.3103 4.626988 ? ? 
1 1 1 12  13  1  o 83.92458 3.339350  1480.845       117.6146 1540.315       
167.9478 1423.609       164.7621 85.57915 4.674417 82.27000 4.770205 3.309151 
6.678699 
1 1 1 12  13  2  o 161.6320 3.147924  5442.084       201.4584 5342.807       
245.7509 5645.497       351.7709 159.4477 3.671116 163.8163 5.114745 -4.368576 
6.295848 
1 1 1 12  13  3  o 47.86866 3.616035  480.7249       72.42447 496.8677       
107.6431 467.3730       97.89659 48.59776 5.275832 47.13957 4.946557 1.458187 
7.232069 
1 1 1 12  13  4  o 113.4934 2.631030  2709.449       123.5586 2722.652       
161.8117 2690.984       191.3572 113.8358 3.385728 113.1510 4.028167 0.6847916 
5.262061 
1 1 1 12  13  5  o 101.7537 2.734745  2164.494       116.3658 2300.126       
174.1878 2055.175       156.3807 104.6144 3.965949 98.89304 3.766505 5.721390 
5.469490 
1 1 1 12  13  6  o 159.9644 3.000324  5369.074       192.7032 5345.673       
239.4960 5412.042       324.5305 159.5024 3.576451 160.4264 4.818378 
-0.9240265     6.000647 
1 1 1 12  13  7  o 261.6185 3.937055  14519.39       419.0725 14902.88       
534.6162 13908.20       674.9241 266.2162 4.783313 257.0208 6.254720 9.195404 
7.874110 
1 1 1 12  13  8  o 173.7024 6.243363  6356.067       453.2198 6529.344       
677.8980 6216.015       609.4512 175.7954 9.184973 171.6095 8.458996 4.185974 
12.48673 
1 1 1 12  13  9  o 135.1317 4.578158  3856.772       258.0404 3950.070       
348.1246 3743.006       384.4169 136.9786 6.053452 133.2849 6.869778 3.693695 
9.156317 
1 1 1 12  13  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  13  11 o 47.22715 7.098346  498.2219       138.3763 359.6920       
206.3742 611.3749       186.5163 40.64336 11.54925 53.81094 8.255955 -13.16758 
14.19669 
1 1 1 12  13  12 o 78.60390 4.927041  1301.928       162.5256 1278.401       
225.8649 1327.191       234.0451 77.87081 6.908680 79.33699 7.026596 -1.466179 
9.854081 
1 1 1 12  13  13 o 161.7346 5.118726  5304.561       308.7689 5069.096       
357.9532 5989.135       610.3432 155.1685 5.494699 168.3007 8.637923 -13.13222 
10.23745 
1 1 1 12  13  14 o 31.07919 7.108257  152.4426       112.1245 37.72242       
142.3430 340.0004       182.0052 22.79393 9.333044 39.36445 10.72397 -16.57052 
14.21651 
1 1 1 12  13  15 o 50.09124 6.546044  566.7496       128.7381 641.6491       
164.7761 449.3941       206.2558 55.12330 7.120002 45.05918 10.98674 10.06412 
13.09209 
1 1 1 12  13  16 o 113.8163 3.275056  2767.781       151.2331 2559.084       
242.7457 2900.173       193.3400 110.2117 5.246200 117.4209 3.921906 -7.209229 
6.550111 
1 1 1 12  13  17 o 78.79324 3.436867  1275.562       106.0686 1397.080       
191.4245 1221.722       127.4174 81.38845 5.602165 76.19803 3.982962 5.190422 
6.873735 
1 1 1 12  13  18 o 162.6822 3.984186  5481.140       252.7284 5868.582       
457.6230 5311.115       303.1516 166.5858 6.543213 158.7786 4.547670 7.807175 
7.968371 
1 1 1 12  13  19 o 157.1783 4.128479  5219.637       254.2443 5225.670       
448.9484 5216.789       308.4771 157.0542 6.808758 157.3023 4.670990 
-0.2480927     8.256957 
1 1 1 12  13  20 o 86.74110 4.266611  1648.139       144.2572 1434.347       
247.2133 1758.525       177.6372 82.17945 7.165224 91.30276 4.634161 -9.123306 
8.533222 
1 1 1 12  13  21 o 84.19330 4.187056  1459.694       134.7163 1602.614       
254.1329 1403.836       158.8760 86.83463 6.970903 81.55197 4.640287 5.282654 
8.374112 
1 1 1 12  13  22 o 106.2932 3.502803  2391.581       146.4326 2376.349       
256.2239 2398.969       178.4456 105.9159 5.762084 106.6704 3.984585 
-0.7544632     7.005607 
1 1 1 12  13  23 o 18.91534 5.967630  -38.67675      88.18867 -61.07284      
165.3955 -29.78023      104.2432 20.86047 9.293821 16.97021 7.488347 3.890259 
11.93526 
1 1 1 12  13  24 o 107.8233 3.860656  2500.740       156.0176 2369.028       
293.1166 2552.807       184.2930 105.6076 6.610988 110.0391 3.989173 -4.431473 
7.721313 
1 1 1 12  13  25 o 92.64308 4.009853  1912.873       143.8318 1551.627       
243.9133 2105.453       178.0904 85.39939 6.803019 99.88677 4.246719 -14.48738 
8.019707 
1 1 1 12  13  26 o 35.11756 6.624206  290.1765       96.41611 204.3969       
179.7036 324.8507       114.2530 31.86235 11.01976 38.37277 7.354268 -6.510426 
13.24841 
1 1 1 12  13  27 o 87.06895 3.807076  1643.341       132.9669 1494.456       
217.8136 1731.786       167.8779 83.68801 6.199302 90.44989 4.420857 -6.761879 
7.614152 
1 1 1 12  13  28 f 41.34195 6.213172  389.1147       99.47472 353.8329       
177.2471 405.3369       120.1870 39.23388 10.53591 43.45002 6.588529 -4.216145 
12.42634 
1 1 1 12  13  29 o 79.38509 3.782515  1393.701       116.0525 1217.595       
201.9055 1480.588       141.8208 75.21028 6.394284 83.55989 4.042623 -8.349609 
7.565029 
1 1 1 12  13  30 o 55.81554 6.594747  814.7028       110.7548 542.1492       
248.3821 882.3441       123.7373 47.30234 12.36817 64.32874 4.581593 -17.02641 
13.18949 
1 1 1 12  13  31 o 70.72866 5.017286  1049.072       129.9212 1206.275       
263.8819 998.7723       149.2662 73.33828 8.570376 68.11904 5.219320 5.219238 
10.03457 
1 1 1 12  13  32 o 36.64265 7.389859  283.4382       102.4126 425.2812       
223.9207 245.9195       115.1633 40.95469 12.15573 32.33062 8.407034 8.624073 
14.77972 
1 1 1 12  13  33 f 17.86869 5.836263  -61.65102      91.94501 -102.6110      
178.7058 -46.90470      107.2261 19.65772 9.105262 16.07966 7.303565 3.578060 
11.67253 
1 1 1 12  13  34 o 33.12219 7.500579  286.4566       113.1085 212.1082       
235.2879 308.8022       128.9909 30.73323 12.21564 35.51116 8.707057 -4.777935 
15.00116 
1 1 1 12  13  35 o 57.17871 5.689898  689.1103       119.9623 975.1113       
249.4446 603.0621       136.8236 62.77399 9.464887 51.58343 6.317887 11.19056 
11.37980 
1 1 1 12  13  36 o 63.86865 6.267887  1030.380       143.1225 964.0424       
265.5799 1057.531       169.9054 59.51078 11.04361 68.22652 5.931644 -8.715736 
12.53577 
1 1 1 12  13  37 o 38.42096 7.790563  423.1841       121.9043 450.5235       
253.9226 414.9956       138.9662 36.67154 13.05779 40.17039 8.500913 -3.498856 
15.58113 
1 1 1 12  13  38 o 37.19056 7.936673  426.6886       123.3696 486.3209       
264.5127 410.1104       139.4681 35.50705 13.23999 38.87407 8.755903 -3.367012 
15.87335 
1 1 1 12  13  39 o 81.00146 5.854008  1600.625       173.3341 2193.632       
357.8531 1418.848       198.1274 85.77316 9.937437 76.22978 6.190716 9.543373 
11.70802 
1 1 1 12  14  0  o 129.8036 3.365513  3545.762       183.3315 3677.154       
260.0923 3416.019       258.4552 132.1985 4.686212 127.4087 4.831783 4.789841 
6.731026 
1 1 1 12  14  1  o 90.33549 3.315818  1714.057       125.2274 1688.546       
168.9377 1745.171       186.5685 89.59867 4.491030 91.07233 4.879473 -1.473656 
6.631637 
1 1 1 12  14  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  14  3  o 179.7278 4.311205  6780.166       321.4272 6658.349       
421.4211 6949.600       497.0067 177.8465 5.644065 181.6091 6.518472 -3.762573 
8.622410 
1 1 1 12  14  4  o 71.90968 2.903429  1077.502       87.17002 1249.915       
129.7216 935.5483       117.7064 77.11108 4.006975 66.70828 4.202826 10.40279 
5.806858 
1 1 1 12  14  5  o 92.46654 2.647810  1793.275       102.6855 1890.131       
149.1812 1706.066       141.5570 94.83439 3.746876 90.09869 3.742260 4.735703 
5.295619 
1 1 1 12  14  6  o 107.4482 2.533012  2425.056       114.1974 2309.698       
159.8285 2545.368       163.2241 104.8372 3.631281 110.0591 3.532477 -5.221886 
5.066023 
1 1 1 12  14  7  o 129.9829 2.451927  3550.763       133.7763 3518.999       
190.6610 3581.564       187.7490 129.4087 3.509293 130.5571 3.425296 -1.148468 
4.903854 
1 1 1 12  14  8  o 150.6190 2.954456  4752.793       186.1665 4586.572       
251.1927 4955.358       277.2970 147.7139 4.050481 153.5242 4.302190 -5.810211 
5.908912 
1 1 1 12  14  9  o 324.7328 10.32762  22359.85       1311.734 23039.83       
2337.271 22047.20       1584.864 327.2710 17.01071 322.1945 11.71642 5.076508 
20.65524 
1 1 1 12  14  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  14  11 o 127.4100 4.614192  3401.881       237.4524 3351.957       
296.6463 3490.918       396.1561 126.1819 5.599677 128.6380 7.335303 -2.456108 
9.228383 
1 1 1 12  14  12 o 23.88819 6.777888  31.87867       104.1176 -29.91077      
133.2101 128.8924       166.9155 19.54289 8.549748 28.23350 10.51955 -8.690609 
13.55578 
1 1 1 12  14  13 o 165.8521 4.065064  5812.236       280.5338 5938.606       
374.9620 5651.564       422.8018 167.9476 5.317831 163.7567 6.149770 4.190903 
8.130129 
1 1 1 12  14  14 o 180.7317 5.878479  6933.867       443.3452 6677.288       
657.1544 7148.200       600.6221 177.5648 8.815187 183.8985 7.779365 -6.333664 
11.75696 
1 1 1 12  14  15 o 304.3307 8.962916  19751.76       975.3197 19996.89       
1997.592 19675.04       1117.582 303.9769 15.65262 304.6845 8.736755 
-0.7075806     17.92583 
1 1 1 12  14  16 o 78.06825 4.108900  1318.168       125.3108 1192.992       
216.5296 1381.203       153.6567 75.13744 6.864076 80.99908 4.518483 -5.861641 
8.217799 
1 1 1 12  14  17 f 111.0001 4.450109  2664.624       196.0034 2403.204       
328.0439 2809.763       244.4313 106.5405 7.333960 115.4598 5.042512 -8.919357 
8.900219 
1 1 1 12  14  18 o 135.3858 4.484807  3814.595       239.1246 4052.031       
424.0430 3703.884       289.5558 138.2653 7.304958 132.5062 5.204957 5.759125 
8.969615 
1 1 1 12  14  19 o 38.50752 6.515837  330.8083       97.05290 313.4440       
180.5481 337.8649       115.0960 37.72144 10.82941 39.29361 7.249035 -1.572170 
13.03167 
1 1 1 12  14  20 o 123.4819 4.211706  3296.291       211.7151 2906.507       
331.4851 3564.837       275.1452 117.0395 6.746099 129.9243 5.044205 -12.88479 
8.423411 
1 1 1 12  14  21 o 48.55686 5.077281  461.9089       92.08546 590.9968       
185.9647 419.9742       105.9925 52.57243 8.425460 44.54129 5.668047 8.031136 
10.15456 
1 1 1 12  14  22 o 137.9111 3.743925  3920.141       192.0006 4247.201       
377.6979 3806.174       222.9573 141.4565 6.359788 134.3656 3.952342 7.090897 
7.487851 
1 1 1 12  14  23 o 129.0990 3.677940  3428.698       174.9608 3724.893       
349.3486 3329.534       202.1379 132.5055 6.279806 125.6925 3.830536 6.813042 
7.355880 
1 1 1 12  14  24 o 47.85879 6.055761  578.2000       101.6799 342.8550       
188.0448 675.4416       120.8745 39.19312 10.98840 56.52445 5.093538 -17.33133 
12.11152 
1 1 1 12  14  25 o 25.67248 6.620271  115.8048       84.12200 109.8595       
169.2827 117.7544       96.93826 27.18676 10.47272 24.15820 8.101482 3.028563 
13.24054 
1 1 1 12  14  26 o 48.84097 5.009056  490.3255       95.56297 562.3964       
174.7951 459.6000       114.1297 51.16879 8.136642 46.51316 5.844452 4.655624 
10.01811 
1 1 1 12  14  27 f 86.98141 3.969858  1653.784       134.2309 1487.949       
233.3255 1735.821       164.1073 83.39320 6.664272 90.56962 4.315850 -7.176422 
7.939715 
1 1 1 12  14  28 o 60.27115 4.422267  796.8419       104.3083 723.8995       
179.3849 834.1036       128.2118 57.89816 7.379759 62.64414 4.874931 -4.745987 
8.844535 
1 1 1 12  14  29 o 45.37103 4.977895  477.0711       83.04969 388.8261       
145.9874 519.2941       100.9822 41.36804 8.682494 49.37403 4.871554 -8.005989 
9.955790 
1 1 1 12  14  30 o 145.9590 4.486434  4586.208       253.1965 4659.385       
458.3337 4554.068       303.7531 145.9622 7.479326 145.9557 4.957019 
0.6454468E-02  8.972868 
1 1 1 12  14  31 o 30.18512 7.548190  195.5046       109.9968 163.9583       
224.7166 205.4449       126.1420 30.44802 11.98971 29.92222 9.173193 0.5258007 
15.09638 
1 1 1 12  14  32 o 28.92428 7.622973  158.5373       109.5912 220.6760       
226.2254 139.4833       125.2717 32.10416 12.17904 25.74440 9.171140 6.359768 
15.24595 
1 1 1 12  14  33 f 64.00027 5.285031  849.6592       117.3606 1074.151       
261.6498 793.1187       131.3107 67.65051 9.212350 60.35003 5.182551 7.300480 
10.57006 
1 1 1 12  14  34 o 59.10699 7.101584  953.6362       132.7779 694.2231       
280.3279 1028.668       150.7620 49.76275 13.19883 68.45124 5.246041 -18.68849 
14.20317 
1 1 1 12  14  35 o 33.88864 7.878742  291.7931       117.9731 342.5998       
240.4598 275.6870       135.3871 34.88822 12.67843 32.88905 9.357126 1.999168 
15.75748 
1 1 1 12  14  36 o 29.81380 7.696126  119.6398       114.5339 501.1099       
246.0003 14.06337       129.4163 40.39520 12.88480 19.23240 8.420411 21.16281 
15.39225 
1 1 1 12  14  37 o 31.41189 7.956861  257.4454       118.3566 374.4917       
243.6549 221.2982       135.4047 34.12810 12.71094 28.69568 9.574890 5.432419 
15.91372 
1 1 1 12  14  38 o 37.03072 7.352381  454.6014       123.9071 301.5493       
252.8152 502.9886       142.1506 29.89346 12.36647 44.16798 7.956155 -14.27452 
14.70476 
1 1 1 12  14  39 o 34.76834 8.219229  372.1967       122.4060 615.4186       
265.3189 306.4290       137.9665 37.91684 13.36301 31.61983 9.573553 6.297014 
16.43846 
1 1 1 12  15  0  o 52.11937 3.494614  569.9402       75.81614 586.9068       
115.7262 557.1827       100.3506 52.78741 5.221825 51.45133 4.645627 1.336086 
6.989228 
1 1 1 12  15  1  o 192.9087 4.036468  7636.955       305.2736 7295.153       
366.8329 8406.832       550.5435 186.1867 4.692894 199.6306 6.568792 -13.44388 
8.072935 
1 1 1 12  15  2  o 96.44922 3.052262  1945.320       120.6318 1906.115       
153.8803 2007.827       194.3023 95.21537 3.849435 97.68306 4.737833 -2.467690 
6.104523 
1 1 1 12  15  3  o 147.7801 4.938828  4595.682       306.4212 0.000000       
0.000000 4595.682       306.4212 ?        ?        147.7801 4.938828 ? ? 
1 1 1 12  15  4  o 130.8922 5.301852  3606.284       291.3536 3606.284       
291.3536 0.000000       0.000000 130.8922 5.301852 ?        ?        ? ? 
1 1 1 12  15  5  o 164.5506 4.249537  5527.069       245.0209 5389.787       
276.6689 6026.253       527.5747 160.1084 4.115923 168.9928 7.435955 -8.884399 
8.499073 
1 1 1 12  15  6  f 102.8773 2.618968  2167.889       110.7490 1966.853       
140.4698 2498.139       180.0390 96.74324 3.458464 109.0115 3.933829 -12.26823 
5.237937 
1 1 1 12  15  7  o 201.7596 3.739416  8395.686       300.8173 8043.359       
367.7754 9107.859       522.8810 195.5657 4.479311 207.9535 5.989048 -12.38780 
7.478831 
1 1 1 12  15  8  o 220.0716 3.741879  10182.19       345.4731 9921.839       
477.5639 10468.00       500.3799 217.1293 5.238827 223.0139 5.344278 -5.884552 
7.483757 
1 1 1 12  15  9  o 31.48279 7.276454  202.4493       111.3138 172.3653       
164.2274 228.0163       151.3970 30.18877 10.52555 32.77681 10.04988 -2.588039 
14.55291 
1 1 1 12  15  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  15  11 o 324.2020 8.010994  21914.87       1027.691 21086.94       
1248.094 23658.16       1811.070 315.5229 9.421879 332.8812 12.95887 -17.35825 
16.02199 
1 1 1 12  15  12 o 133.5965 4.341925  3750.394       242.2634 3655.637       
324.6226 3869.512       363.9675 131.7209 5.870097 135.4722 6.399314 -3.751343 
8.683850 
1 1 1 12  15  13 o 215.2898 6.057230  9878.798       532.4596 9511.841       
850.4686 10115.36       682.8503 211.7567 9.566258 218.8229 7.432824 -7.066132 
12.11446 
1 1 1 12  15  14 o 22.32658 6.459917  41.48395       90.59559 27.22628       
163.4573 47.80573       108.8428 23.78318 9.897549 20.86998 8.304255 2.913206 
12.91983 
1 1 1 12  15  15 o 85.19444 3.785442  1498.226       127.0487 1619.651       
226.1064 1442.200       153.5876 87.61224 6.147084 82.77665 4.419460 4.835587 
7.570883 
1 1 1 12  15  16 o 119.0508 4.241329  2980.144       192.7385 3018.866       
357.6568 2964.296       228.8038 119.4594 7.131276 118.6421 4.593517 0.8172913 
8.482658 
1 1 1 12  15  17 o 146.2381 3.841241  4416.600       211.9562 4730.139       
406.3578 4299.415       248.4278 149.5734 6.471059 142.9028 4.140764 6.670547 
7.682482 
1 1 1 12  15  18 o 140.6614 4.553230  4114.505       242.5359 4354.861       
460.7758 4022.391       285.2494 143.2204 7.663126 138.1024 4.919768 5.117966 
9.106460 
1 1 1 12  15  19 f 136.5936 4.578163  3935.234       239.1808 3995.185       
442.3368 3910.462       284.3322 137.0703 7.686537 136.1168 4.975484 0.9535065 
9.156325 
1 1 1 12  15  20 o 35.33478 6.285403  241.1147       85.33541 376.6552       
167.1805 193.3566       99.23715 41.06965 9.815253 29.59991 7.854043 11.46975 
12.57081 
1 1 1 12  15  21 o 70.73749 3.828567  1035.840       103.4300 1113.740       
194.4359 1005.097       122.1456 72.44350 6.392903 69.03149 4.214555 3.412010 
7.657133 
1 1 1 12  15  22 o 51.07492 4.839456  523.3524       94.41126 631.0526       
181.6329 483.4810       110.5139 54.35723 7.958996 47.79261 5.507788 6.564613 
9.678912 
1 1 1 12  15  23 o 71.80650 3.351061  1031.240       93.93945 1246.084       
173.8150 942.5914       111.6503 76.74565 5.394542 66.86735 3.977104 9.878304 
6.702122 
1 1 1 12  15  24 o 104.7492 3.560241  2330.178       139.3153 2295.437       
265.8860 2343.325       163.5657 104.0409 6.087131 105.4575 3.694332 -1.416603 
7.120481 
1 1 1 12  15  25 o 60.70616 4.182017  732.2264       100.8934 937.9229       
181.3687 640.0464       121.4136 66.42242 6.503822 54.98990 5.259027 11.43252 
8.364034 
1 1 1 12  15  26 o 150.0305 4.477109  4760.972       252.9944 4867.465       
480.4366 4720.112       297.5992 150.7150 7.592777 149.3461 4.746342 1.368942 
8.954218 
1 1 1 12  15  27 o 81.28813 3.762019  1430.685       120.7227 1323.938       
205.5277 1486.914       149.1672 78.74612 6.216733 83.83014 4.238325 -5.084015 
7.524039 
1 1 1 12  15  28 o 59.17978 4.450120  791.3594       98.57378 655.1486       
177.9714 851.6376       118.3927 54.99943 7.707491 63.36013 4.450716 -8.360703 
8.900241 
1 1 1 12  15  29 o 34.68877 5.511211  234.1347       69.18453 359.8004       
144.6843 196.8833       78.77416 39.70071 8.901517 29.67683 6.500524 10.02389 
11.02242 
1 1 1 12  15  30 f 44.49648 6.184666  519.2772       100.6045 290.4960       
185.0686 615.2424       119.8614 35.42604 11.16219 53.56692 5.329712 -18.14087 
12.36933 
1 1 1 12  15  31 o 78.43030 4.439310  1242.274       129.3465 1553.979       
261.8206 1141.636       148.7688 83.91072 7.432030 72.94988 4.857451 10.96084 
8.878620 
1 1 1 12  15  32 o 52.12701 6.490358  638.9601       110.9067 622.7789       
242.7896 643.2269       124.6746 49.82099 11.77864 54.43303 5.455526 -4.612041 
12.98072 
1 1 1 12  15  33 o 47.87394 6.622972  395.7420       115.4418 951.8716       
255.4353 252.9960       129.4121 63.40742 9.595375 32.34046 9.131472 31.06696 
13.24594 
1 1 1 12  15  34 o 33.17910 6.881212  297.2849       110.1604 127.3799       
197.1402 374.4241       132.8342 26.88953 10.99236 39.46867 8.280839 -12.57914 
13.76242 
1 1 1 12  15  35 o 42.66601 6.385853  432.3917       101.3354 491.1952       
197.0580 411.2509       118.1554 42.85920 10.91834 42.47281 6.626187 0.3863869 
12.77171 
1 1 1 12  15  36 o 41.46206 7.616971  408.1107       107.0977 593.5428       
266.9851 372.5507       116.9166 43.59862 13.34131 39.32550 7.354071 4.273117 
15.23394 
1 1 1 12  15  37 o 56.05954 6.885781  797.8841       126.9657 877.8042       
276.7622 776.5813       142.8887 53.89369 12.46950 58.22539 5.845297 -4.331699 
13.77156 
1 1 1 12  15  38 o 24.99397 7.461681  139.8552       118.2673 190.9097       
249.8275 125.1090       134.2649 26.91601 11.74252 23.07193 9.209769 3.844080 
14.92336 
1 1 1 12  15  39 o 25.26701 7.492992  173.5359       119.3734 284.8481       
241.5919 137.5812       137.3057 27.73211 11.80893 22.80191 9.226533 4.930195 
14.98598 
1 1 1 12  16  0  o 209.4694 4.155993  9228.312       355.5143 9134.015       
451.9312 9381.402       575.8327 208.1891 5.170535 210.7496 6.508046 -2.560532 
8.311985 
1 1 1 12  16  1  o 69.28741 3.130173  1013.928       90.73483 946.7595       
130.8532 1076.133       125.9255 67.06019 4.647728 71.51464 4.194109 -4.454453 
6.260345 
1 1 1 12  16  2  o 134.5613 3.390198  3804.220       190.8938 3722.756       
258.4629 3901.991       283.1523 132.9926 4.629051 136.1300 4.954358 -3.137451 
6.780396 
1 1 1 12  16  3  o 197.5466 4.313816  8211.791       354.3743 8114.347       
468.6116 8341.951       541.5953 196.2365 5.687930 198.8567 6.487178 -2.620132 
8.627631 
1 1 1 12  16  4  o 220.7979 5.291985  10298.67       490.5275 10415.36       
692.8248 10181.38       694.5998 222.0617 7.431404 219.5341 7.536223 2.527618 
10.58397 
1 1 1 12  16  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  16  6  o 134.7439 4.076358  3768.093       222.8138 3615.139       
278.4678 4040.279       371.4735 131.0537 5.061121 138.4341 6.391545 -7.380386 
8.152717 
1 1 1 12  16  7  o 67.58089 3.006298  960.5859       85.29108 974.4951       
120.6782 946.7037       120.5614 68.07059 4.222703 67.09120 4.280199 0.9793854 
6.012597 
1 1 1 12  16  8  o 163.8450 2.982784  5668.983       200.3661 5536.040       
317.8741 5756.627       258.0954 162.2102 4.667646 165.4797 3.714981 -3.269455 
5.965568 
1 1 1 12  16  9  o 136.6294 4.033415  3879.958       213.3316 3799.798       
254.9503 4067.143       389.5942 134.3951 4.518487 138.8637 6.682591 -4.468567 
8.066831 
1 1 1 12  16  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  16  11 o 116.3133 4.613284  2846.560       224.4767 2934.536       
333.8425 2773.960       303.2711 117.9304 6.742746 114.6961 6.298010 3.234322 
9.226568 
1 1 1 12  16  12 o 93.71172 3.625606  1747.048       127.6558 2080.126       
252.1525 1632.258       148.0276 99.32794 6.046622 88.09549 4.002304 11.23245 
7.251212 
1 1 1 12  16  13 o 148.3927 4.396782  4621.832       250.8986 4704.048       
460.2642 4587.072       299.2735 149.1820 7.348721 147.6034 4.829396 1.578583 
8.793564 
1 1 1 12  16  14 o 27.37255 6.687336  142.4548       87.80551 138.8046       
162.5537 143.9586       104.3366 28.42879 10.41504 26.31630 8.390994 2.112492 
13.37467 
1 1 1 12  16  15 o 225.3109 6.136444  10834.15       575.1756 10304.77       
861.3208 11260.21       772.7159 220.1230 9.320101 230.4987 7.984954 -10.37572 
12.27289 
1 1 1 12  16  16 o 55.98312 4.453405  632.8803       95.20415 733.3452       
181.9331 594.9954       111.7219 58.83863 7.364957 53.12761 5.008861 5.711025 
8.906811 
1 1 1 12  16  17 o 246.9616 6.063818  12986.31       594.3965 12951.53       
1021.603 13004.12       730.8340 246.1635 9.885070 247.7597 7.026017 -1.596161 
12.12764 
1 1 1 12  16  18 o 79.66897 3.561570  1266.630       104.3311 1492.121       
212.8040 1195.280       119.7045 83.99144 6.034842 75.34650 3.784152 8.644943 
7.123140 
1 1 1 12  16  19 o 86.11096 3.562987  1600.355       122.7906 1444.080       
201.8517 1692.157       154.7083 82.61533 5.819597 89.60660 4.112394 -6.991264 
7.125973 
1 1 1 12  16  20 o 73.03159 3.090404  1143.600       89.55473 1066.704       
151.4124 1184.974       111.0642 71.05008 5.075958 75.01310 3.526616 -3.963020 
6.180807 
1 1 1 12  16  21 o 202.0608 4.967157  8572.993       382.9585 8959.806       
715.7562 8417.848       453.2983 204.6667 8.329885 199.4549 5.413281 5.211807 
9.934315 
1 1 1 12  16  22 o 108.0689 3.749305  2424.482       161.6346 2616.516       
280.2407 2328.753       197.8619 111.0992 6.008159 105.0386 4.486776 6.060600 
7.498609 
1 1 1 12  16  23 o 63.16443 4.601887  833.0911       108.8047 878.2568       
210.3481 816.5921       127.1338 64.15705 7.809355 62.17180 4.870671 1.985249 
9.203774 
1 1 1 12  16  24 o 50.77682 4.722895  542.2664       93.53751 563.5037       
167.9780 532.7217       112.6121 51.37747 7.787549 50.17618 5.345747 1.201290 
9.445789 
1 1 1 12  16  25 o 119.5463 3.365640  2969.061       154.5369 3150.177       
286.8386 2894.990       183.4353 121.9096 5.604292 117.1830 3.728544 4.726540 
6.731280 
1 1 1 12  16  26 o 117.1097 3.015570  2832.464       138.0699 3079.521       
249.5728 2723.502       165.7437 120.5721 4.930281 113.6473 3.473756 6.924812 
6.031140 
1 1 1 12  16  27 o 100.6531 3.134556  2119.686       127.4952 2241.129       
213.8291 2052.696       158.8131 102.7507 4.956820 98.55554 3.838188 4.195129 
6.269112 
1 1 1 12  16  28 o 25.34824 6.002141  131.0283       69.34116 126.2790       
136.2412 132.6886       80.55518 26.10601 9.537757 24.59047 7.289304 1.515539 
12.00428 
1 1 1 12  16  29 f 39.93183 5.275383  394.0667       74.70689 268.5276       
141.2094 442.8619       88.03645 34.23882 9.497118 45.62485 4.596023 -11.38604 
10.55077 
1 1 1 12  16  30 o 25.48312 6.832032  100.8520       88.77186 161.0871       
180.6901 81.68737       101.9202 29.16784 10.92963 21.79840 8.200600 7.369432 
13.66406 
1 1 1 12  16  31 o 50.46959 5.537766  558.0690       101.0197 605.2092       
196.6113 541.1605       117.7512 50.90132 9.552468 50.03785 5.605157 0.8634720 
11.07553 
1 1 1 12  16  32 o 91.61250 4.660549  1881.635       146.5175 1790.301       
310.5114 1907.795       166.1811 88.85004 8.324170 94.37497 4.194168 -5.524925 
9.321097 
1 1 1 12  16  33 o 32.71111 7.188845  280.7132       112.4030 116.3338       
226.5126 334.4151       129.4683 27.95645 11.64383 37.46576 8.434412 -9.509314 
14.37769 
1 1 1 12  16  34 o 40.83866 7.540257  410.2645       115.8957 467.9115       
243.5149 393.3832       131.7770 41.02548 12.77971 40.65184 8.006298 0.3736420 
15.08051 
1 1 1 12  16  35 o 39.42203 6.959442  463.1803       119.2703 203.0776       
243.0829 545.6534       136.8795 29.94543 12.21801 48.89862 6.667496 -18.95319 
13.91888 
1 1 1 12  16  36 o 31.53347 8.071053  216.2572       116.8822 432.9697       
256.7846 159.6241       131.2691 37.29876 13.14622 25.76819 9.367205 11.53057 
16.14211 
1 1 1 12  16  37 o 21.82293 6.982514  8.974278       114.2765 99.70663       
243.4933 -16.65600      129.4144 25.67428 11.37196 17.97159 8.105579 7.702696 
13.96503 
1 1 1 12  16  38 o 82.69101 4.411141  1649.921       142.0382 1501.176       
242.6330 1727.471       175.1953 77.85468 7.423116 87.52734 4.767601 -9.672661 
8.822282 
1 1 1 12  16  39 o 28.62224 7.825610  209.3092       119.6584 509.9958       
242.6759 112.7211       137.5408 35.44396 12.75083 21.80053 9.076177 13.64343 
15.65122 
1 1 1 12  17  0  o 128.8522 2.914270  3491.662       157.1630 3544.534       
232.3509 3447.069       213.3827 129.7367 4.265821 127.9677 3.971731 1.769012 
5.828539 
1 1 1 12  17  1  o 30.35688 4.904853  210.6199       65.05859 99.00111       
97.84254 299.0829       87.10432 23.05925 8.116117 37.65451 5.509901 -14.59526 
9.809707 
1 1 1 12  17  2  o 57.90709 3.355344  703.1836       81.16862 735.8354       
122.0580 677.2959       108.6823 59.09980 4.919276 56.71438 4.564434 2.385418 
6.710688 
1 1 1 12  17  3  o 49.83885 3.831287  525.1692       79.91476 559.3503       
111.3907 488.9169       114.7157 51.52490 5.149354 48.15281 5.674433 3.372097 
7.662573 
1 1 1 12  17  4  o 205.3486 5.080098  8855.031       419.6976 8715.285       
521.6096 9111.631       706.8120 203.2576 6.112512 207.4397 8.115835 -4.182022 
10.16020 
1 1 1 12  17  5  o 151.8913 4.233276  4860.042       263.9456 4841.325       
339.1095 4888.809       420.4084 151.5921 5.328247 152.1904 6.579688 
-0.5982666     8.466552 
1 1 1 12  17  6  o 104.6314 3.653382  2305.601       160.3720 2307.819       
231.2381 2303.545       222.6085 104.6735 5.261914 104.5893 5.069621 
0.8422089E-01  7.306763 
1 1 1 12  17  7  o 120.9605 5.213995  3081.532       264.7848 3081.532       
264.7848 0.000000       0.000000 120.9605 5.213995 ?        ?        ? ? 
1 1 1 12  17  8  o 35.96800 6.098381  276.4216       91.64410 376.1608       
139.4170 200.5348       121.6091 41.43885 8.306568 30.49716 8.930954 10.94169 
12.19676 
1 1 1 12  17  9  o 112.6590 3.832419  2676.832       181.0255 2820.608       
255.0918 2530.969       256.9356 115.7223 5.250500 109.5957 5.584085 6.126579 
7.664839 
1 1 1 12  17  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  17  11 o 166.3744 4.569294  5621.564       294.9276 6417.983       
546.4112 5294.154       350.3440 174.2247 7.470176 158.5241 5.264055 15.70065 
9.138589 
1 1 1 12  17  12 o 131.0207 4.297580  3569.262       215.3304 3748.618       
401.8281 3497.009       255.0414 133.1660 7.187336 128.8754 4.713699 4.290680 
8.595160 
1 1 1 12  17  13 o 112.5038 3.302942  2685.737       151.9491 2571.813       
241.4730 2760.417       195.5094 110.4708 5.206456 114.5369 4.065774 -4.066147 
6.605885 
1 1 1 12  17  14 o 78.79767 3.895927  1349.022       119.6722 1198.625       
206.4787 1425.099       146.8531 75.31599 6.529941 82.27934 4.251217 -6.963356 
7.791853 
1 1 1 12  17  15 o 215.3700 5.018812  9865.728       448.1874 9508.150       
682.9699 10136.19       593.9733 211.7704 7.681700 218.9696 6.461067 -7.199158 
10.03762 
1 1 1 12  17  16 o 92.92172 3.904425  1715.465       132.4670 2043.298       
273.7425 1615.222       151.3705 98.26168 6.635582 87.58176 4.116696 10.67992 
7.808850 
1 1 1 12  17  17 o 105.7955 3.784707  2313.787       146.8593 2465.615       
294.0721 2263.340       169.5107 107.9146 6.490748 103.6764 3.894381 4.238220 
7.569413 
1 1 1 12  17  18 o 190.6389 4.044578  7626.023       301.1698 7847.723       
538.4905 7525.110       363.3037 192.3890 6.666821 188.8887 4.581260 3.500320 
8.089156 
1 1 1 12  17  19 o 153.7668 3.492788  4775.721       198.3108 5455.216       
399.2081 4553.107       228.4982 160.5084 5.924105 147.0253 3.701791 13.48311 
6.985576 
1 1 1 12  17  20 o 143.4445 3.476202  4453.502       204.1917 3637.013       
304.6628 5119.376       275.1314 131.0920 5.535595 155.7970 4.206317 -24.70506 
6.952404 
1 1 1 12  17  21 o 159.4623 4.444328  5384.420       269.1497 5422.850       
502.6026 5368.968       318.6985 159.4948 7.505837 159.4298 4.761365 
0.6500244E-01  8.888656 
1 1 1 12  17  22 o 44.97628 4.992085  411.4760       90.55360 498.3960       
156.1626 367.4438       111.1481 48.34134 7.694481 41.61121 6.362282 6.730133 
9.984171 
1 1 1 12  17  23 o 38.26765 5.815869  273.1347       89.73036 495.4276       
161.9150 174.6042       107.7977 48.16343 8.007385 28.37188 8.436770 19.79156 
11.63174 
1 1 1 12  17  24 o 66.60320 4.598969  1040.840       114.9040 673.0254       
189.4158 1255.003       144.5352 56.10528 8.041435 77.10110 4.465130 -20.99582 
9.197938 
1 1 1 12  17  25 o 60.76916 4.385382  755.9938       103.9104 863.0069       
190.6065 710.7410       123.9487 63.59433 7.139050 57.94399 5.095121 5.650337 
8.770763 
1 1 1 12  17  26 o 57.90463 4.437743  730.0626       96.66294 679.1713       
179.4073 750.8789       114.7416 56.24683 7.597370 59.56244 4.588489 -3.315609 
8.875486 
1 1 1 12  17  27 o 117.4979 3.342282  2957.840       148.2429 2861.599       
276.7315 2996.573       175.5573 115.8668 5.688799 119.1290 3.510123 -3.262222 
6.684564 
1 1 1 12  17  28 o 65.07278 3.998401  835.8390       95.80035 1052.773       
197.3078 768.9219       109.5843 69.93913 6.719625 60.20644 4.335374 9.732697 
7.996801 
1 1 1 12  17  29 o 48.89334 5.231373  550.6229       88.30277 480.5503       
173.5873 575.0859       102.5646 45.82140 9.347091 51.96528 4.701164 -6.143887 
10.46275 
1 1 1 12  17  30 o 54.97854 5.088420  634.2754       104.0040 718.4787       
205.8255 605.4041       120.5225 56.86209 8.621788 53.09498 5.406741 3.767113 
10.17684 
1 1 1 12  17  31 o 34.84283 7.703778  256.0439       111.2993 370.2105       
226.7494 219.8071       127.7473 38.89052 12.36689 30.79514 9.189823 8.095385 
15.40756 
1 1 1 12  17  32 o 32.04010 7.380992  253.8584       113.0839 129.9921       
229.2340 293.6971       130.0036 28.91090 11.84182 35.16930 8.814046 -6.258392 
14.76198 
1 1 1 12  17  33 o 22.73580 6.832869  48.67842       110.2870 -110.9543      
226.6249 98.21582       126.2447 22.14355 10.25550 23.32805 9.032005 -1.184502 
13.66574 
1 1 1 12  17  34 o 40.86992 7.121432  465.9169       119.0216 286.9691       
236.5865 526.5527       137.7181 33.49441 12.51521 48.24544 6.799169 -14.75103 
14.24286 
1 1 1 12  17  35 o 54.58854 5.480240  637.1560       113.4874 859.0194       
223.6854 560.2510       131.6958 59.43045 8.964987 49.74662 6.305644 9.683823 
10.96048 
1 1 1 12  17  36 o 31.35206 7.314335  284.9344       121.9038 66.42768       
254.4453 350.0307       138.8802 25.80593 11.51139 36.89820 9.026949 -11.09227 
14.62867 
1 1 1 12  17  37 o 53.56186 7.051776  773.7914       129.8901 737.7839       
263.0847 785.3977       149.3640 48.77887 12.71725 58.34484 6.097679 -9.565971 
14.10355 
1 1 1 12  17  38 o 28.03500 7.733499  189.4899       117.0749 372.8051       
233.1801 127.7039       135.3747 32.82993 12.39106 23.24006 9.256874 9.589861 
15.46700 
1 1 1 12  17  39 o 24.72747 7.452698  131.1599       117.4975 341.6566       
241.5717 65.93053       134.4761 29.50889 12.13316 19.94606 8.657787 9.562834 
14.90540 
1 1 1 12  18  0  o 106.5180 2.812331  2371.599       124.5043 2512.392       
192.2935 2269.973       163.3721 109.1997 4.194344 103.8362 3.747573 5.363518 
5.624662 
1 1 1 12  18  1  o 108.7923 2.706575  2490.070       123.5552 2533.423       
178.2544 2449.981       171.4133 109.6998 3.870398 107.8849 3.784470 1.814888 
5.413150 
1 1 1 12  18  2  o 44.74014 4.038425  419.9594       75.02506 514.3026       
110.7341 339.9033       102.0055 49.37197 5.342223 40.10830 6.057737 9.263680 
8.076851 
1 1 1 12  18  3  o 124.5480 3.324703  3256.386       173.4989 3079.894       
236.4176 3462.375       255.4108 120.9085 4.657408 128.1875 4.745856 -7.279060 
6.649405 
1 1 1 12  18  4  o 76.91505 3.215273  1245.613       103.7655 1254.045       
149.5532 1237.786       144.0922 77.16215 4.616496 76.66795 4.476593 0.4942017 
6.430546 
1 1 1 12  18  5  o 73.86955 3.340782  1138.724       102.9120 1063.480       
136.3023 1238.494       156.9517 71.06544 4.568417 76.67365 4.875744 -5.608208 
6.681565 
1 1 1 12  18  6  o 121.2346 3.527694  3104.895       178.7552 3197.955       
243.8143 2996.733       262.8542 123.2278 4.712718 119.2414 5.250598 3.986351 
7.055388 
1 1 1 12  18  7  o 116.0373 3.281447  2819.227       159.2365 2664.572       
213.9958 3011.100       238.3576 112.5000 4.530789 119.5746 4.748003 -7.074615 
6.562894 
1 1 1 12  18  8  o 97.25723 3.303903  1988.679       134.9050 0.000000       
0.000000 1988.679       134.9050 ?        ?        97.25723 3.303903 ? ? 
1 1 1 12  18  9  o 27.00542 6.306809  152.6946       92.08427 -98.95332      
192.8591 227.0058       104.8022 21.90440 9.886302 32.10645 7.833542 -10.20205 
12.61362 
1 1 1 12  18  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  18  11 o 80.60547 3.626960  1340.163       113.7072 1446.236       
207.2476 1294.482       136.0053 82.78321 5.963049 78.42773 4.130543 4.355476 
7.253919 
1 1 1 12  18  12 o 147.3120 4.454326  4624.611       268.0434 4397.417       
426.1652 4773.317       344.7801 144.1788 7.040403 150.4453 5.458643 -6.266434 
8.908651 
1 1 1 12  18  13 o 57.95193 4.156045  667.3710       95.76100 839.7513       
171.6386 589.4613       115.3896 63.03037 6.486138 52.87348 5.198161 10.15689 
8.312091 
1 1 1 12  18  14 o 97.91368 3.540917  2082.027       132.0031 1874.088       
238.4158 2173.949       158.5170 94.18546 6.029376 101.6419 3.714702 -7.456451 
7.081835 
1 1 1 12  18  15 o 75.79158 3.534054  1179.865       103.5755 1292.734       
191.3960 1133.122       123.1692 78.22356 5.827956 73.35961 3.999134 4.863945 
7.068108 
1 1 1 12  18  16 o 143.7668 4.118704  4240.185       215.4717 4629.843       
439.0530 4116.560       247.3014 147.7517 7.077918 139.7819 4.214020 7.969788 
8.237408 
1 1 1 12  18  17 o 135.8275 3.860631  3856.321       199.0201 3998.273       
374.9341 3800.632       234.8351 137.3601 6.501527 134.2948 4.165094 3.065262 
7.721261 
1 1 1 12  18  18 o 84.28027 3.481675  1506.473       111.3443 1484.447       
207.2259 1515.413       132.0206 83.73773 5.894459 84.82280 3.707236 -1.085068 
6.963350 
1 1 1 12  18  19 o 77.82076 3.661282  1293.696       111.3880 1242.614       
195.3798 1318.294       135.5797 76.56779 6.077914 79.07372 4.083980 -2.505928 
7.322563 
1 1 1 12  18  20 o 124.4818 3.742100  3361.742       189.7097 2853.585       
292.5808 3730.359       249.1921 116.0201 6.006668 132.9435 4.464658 -16.92343 
7.484199 
1 1 1 12  18  21 f 197.5936 5.199037  8151.259       382.3799 8678.554       
747.2361 7964.193       445.0682 201.1942 8.846334 193.9929 5.464642 7.201309 
10.39807 
1 1 1 12  18  22 o 49.09370 4.597155  466.5524       89.86102 667.6121       
161.6662 376.6592       108.0986 56.03933 6.871433 42.14807 6.108908 13.89127 
9.194310 
1 1 1 12  18  23 o 19.25856 5.758356  2.626436       82.46983 -151.8198      
156.0357 62.49414       97.14751 17.79910 8.336931 20.71802 7.945453 -2.918917 
11.51671 
1 1 1 12  18  24 o 85.51060 3.347843  1452.678       109.6487 1773.121       
210.5084 1333.367       128.4496 91.49780 5.479991 79.52341 3.847325 11.97440 
6.695686 
1 1 1 12  18  25 o 52.51435 4.012951  480.6254       80.16949 920.7577       
157.0876 325.6176       93.22386 65.86149 5.681087 39.16722 5.669247 26.69427 
8.025903 
1 1 1 12  18  26 o 61.63842 4.255791  803.0967       93.91200 822.1130       
192.7280 797.1755       107.5434 61.87484 7.419110 61.40200 4.171790 0.4728432 
8.511582 
1 1 1 12  18  27 o 99.74987 3.671954  2137.755       121.3981 2082.096       
273.4971 2151.412       135.4755 98.52077 6.612200 100.9790 3.195588 -2.458191 
7.343907 
1 1 1 12  18  28 o 107.4321 3.526114  2481.971       135.2948 2410.800       
274.9437 2504.711       155.4132 105.9963 6.178376 108.8679 3.400237 -2.871651 
7.052229 
1 1 1 12  18  29 o 60.43896 6.667466  980.0016       129.8757 549.9904       
250.5795 1137.949       151.8663 47.85892 12.38060 73.01900 4.953893 -25.16008 
13.33493 
1 1 1 12  18  30 o 42.76827 6.270291  434.5617       99.45824 370.8510       
188.5475 459.1239       117.0707 39.45438 10.98408 46.08216 6.051130 -6.627785 
12.54058 
1 1 1 12  18  31 f 69.58750 5.139281  1041.438       130.3123 1129.354       
262.6636 1012.733       150.0854 70.63969 8.856707 68.53532 5.216089 2.104370 
10.27856 
1 1 1 12  18  32 o 36.18456 7.646550  300.3002       112.6183 371.6071       
227.3130 277.1041       129.6480 38.27989 12.40350 34.08923 8.946061 4.190659 
15.29310 
1 1 1 12  18  33 o 48.40573 6.973444  528.5639       119.8078 656.1061       
251.7544 491.2221       136.2220 50.03785 12.09936 46.77361 6.936934 3.264244 
13.94689 
1 1 1 12  18  34 o 98.86564 3.917312  2107.713       143.2807 2271.930       
281.9088 2050.518       166.3717 100.2636 6.697096 97.46772 4.065740 2.795837 
7.834624 
1 1 1 12  18  35 o 31.06911 7.933566  185.3800       118.6850 434.2955       
243.6739 107.9636       135.8938 38.52523 12.84462 23.61300 9.315660 14.91222 
15.86713 
1 1 1 12  18  36 o 21.45398 6.862777  0.5862556      113.9496 37.02077       
234.8675 -10.63005      130.3141 24.47089 10.98382 18.43707 8.230829 6.033825 
13.72555 
1 1 1 12  18  37 o 34.14928 7.696166  339.2968       119.5909 319.5987       
237.2596 346.0060       138.4676 32.17574 12.39759 36.12283 9.122701 -3.947090 
15.39233 
1 1 1 12  18  38 o 20.79426 6.717882  6.967097       114.3228 85.13669       
226.2994 -19.81859      132.4695 23.91169 10.75520 17.67684 8.052668 6.234856 
13.43576 
1 1 1 12  18  39 o 19.83064 6.529579  4.797060       115.5920 55.02188       
232.4581 -11.70141      133.2316 22.23038 10.33055 17.43090 7.988827 4.799477 
13.05916 
1 1 1 12  19  0  o 188.6994 3.499567  7515.553       274.2081 7547.016       
420.3559 7492.249       361.7806 188.9605 5.298674 188.4383 4.572957 0.5221863 
6.999134 
1 1 1 12  19  1  o 182.6369 3.569440  6947.644       269.1266 7550.696       
427.9757 6553.198       346.1267 189.0287 5.392776 176.2451 4.677774 12.78369 
7.138880 
1 1 1 12  19  2  o 167.2705 3.647384  5890.376       255.0861 6079.775       
380.8141 5736.231       343.5495 169.6677 5.346073 164.8734 4.963179 4.794312 
7.294768 
1 1 1 12  19  3  o 42.09047 4.113028  374.1935       72.31327 376.5174       
107.9750 372.3035       97.37696 42.19505 6.095129 41.98590 5.524256 0.2091446 
8.226056 
1 1 1 12  19  4  o 107.7729 3.151427  2445.527       142.1884 2705.451       
204.4695 2202.129       197.8626 113.3282 4.297457 102.2175 4.610622 11.11069 
6.302855 
1 1 1 12  19  5  o 27.01907 5.336675  158.4673       56.87552 145.4071       
117.6092 162.4540       64.97903 26.82814 8.923548 27.21001 5.855825 
-0.3818665     10.67335 
1 1 1 12  19  6  f 190.1000 3.766833  7605.746       288.2990 7686.569       
482.7210 7560.933       359.4462 190.7518 6.027657 189.4481 4.519232 1.303726 
7.533665 
1 1 1 12  19  7  o 26.82316 5.248600  171.5974       61.26412 73.74090       
119.2264 206.7052       71.41324 22.84438 8.791282 30.80194 5.736253 -7.957556 
10.49720 
1 1 1 12  19  8  o 111.5712 2.893328  2678.281       131.8009 2327.404       
203.7683 2930.672       172.8207 105.1067 4.617719 118.0357 3.487416 -12.92899 
5.786657 
1 1 1 12  19  9  o 26.80490 6.585624  138.8985       84.70688 105.3968       
166.5057 150.5966       98.39059 27.03345 10.39212 26.57635 8.092323 0.4570942 
13.17125 
1 1 1 12  19  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  19  11 o 95.43398 3.871591  1867.901       144.3545 2068.658       
262.3404 1780.718       172.8806 98.92612 6.316481 91.94184 4.478721 6.984283 
7.743182 
1 1 1 12  19  12 o 33.78721 6.311869  206.2589       83.92052 378.2563       
165.8696 147.0839       97.29159 41.28670 9.719370 26.28772 8.055593 14.99898 
12.62374 
1 1 1 12  19  13 o 31.21375 6.137128  165.6194       80.61418 351.9980       
153.3360 94.42749       94.76795 39.84134 9.322954 22.58617 7.983726 17.25517 
12.27426 
1 1 1 12  19  14 o 47.63855 5.016850  512.9991       85.04441 436.8638       
159.6717 543.1514       100.4832 44.52299 8.856499 50.75411 4.715671 -6.231117 
10.03370 
1 1 1 12  19  15 o 113.2057 3.442556  2715.608       155.9695 2664.382       
262.6230 2743.521       193.8605 112.2891 5.570784 114.1224 4.046127 -1.833313 
6.885113 
1 1 1 12  19  16 o 140.9697 3.853699  4172.376       211.8624 4274.842       
379.5245 4125.990       255.3527 142.0452 6.364062 139.8942 4.347723 2.151001 
7.707398 
1 1 1 12  19  17 o 102.9964 3.564648  2202.010       138.9607 2330.704       
264.2966 2152.842       163.3634 104.9068 6.000797 101.0861 3.849324 3.820717 
7.129296 
1 1 1 12  19  18 o 94.01390 3.559529  1913.885       131.7730 1728.464       
224.0411 2011.955       162.9360 90.32921 5.907729 97.69859 3.972370 -7.369385 
7.119058 
1 1 1 12  19  19 o 73.82593 3.313545  1125.835       98.09986 1234.797       
168.7408 1070.205       120.5686 76.40796 5.260205 71.24390 4.030951 5.164063 
6.627090 
1 1 1 12  19  20 o 83.56508 3.186707  1531.337       105.9028 1272.198       
171.7547 1690.291       134.5171 77.55344 5.275074 89.57672 3.576872 -12.02328 
6.373415 
1 1 1 12  19  21 o 152.9280 3.783673  4863.628       229.9890 5205.340       
401.0612 4696.200       280.7346 156.6879 6.096720 149.1681 4.482715 7.519821 
7.567346 
1 1 1 12  19  22 o 25.46111 6.104280  125.9832       86.67704 -41.22026      
155.6171 201.1868       104.3648 20.75401 9.154799 30.16821 8.077041 -9.414198 
12.20856 
1 1 1 12  19  23 o 80.82230 3.500643  1327.083       109.0435 1516.509       
204.4503 1251.776       128.9091 84.59722 5.756423 77.04737 3.985171 7.549850 
7.001285 
1 1 1 12  19  24 o 67.28796 3.314144  945.5472       81.33669 980.3628       
163.1507 934.0322       93.82819 67.98949 5.715685 66.58645 3.356360 1.403038 
6.628288 
1 1 1 12  19  25 o 83.07297 3.408064  1451.771       102.0239 1479.991       
207.4217 1442.765       117.1786 83.41891 5.922578 82.72704 3.373820 0.6918716 
6.816127 
1 1 1 12  19  26 o 100.2542 3.432808  2087.557       122.2708 2216.779       
256.2036 2049.445       139.1382 101.9491 5.985810 98.55939 3.362554 3.389687 
6.865617 
1 1 1 12  19  27 o 136.3535 2.900159  4024.487       148.9987 3736.356       
275.9862 4143.015       177.0120 132.5553 4.959197 140.1517 3.008330 -7.596390 
5.800318 
1 1 1 12  19  28 o 48.33849 5.167425  499.3979       85.00021 540.1550       
180.6942 487.8161       96.32314 48.80454 9.156452 47.87244 4.792545 0.9321022 
10.33485 
1 1 1 12  19  29 f 27.78474 7.466174  122.0859       103.1111 187.6252       
222.2452 104.1090       116.3966 31.72135 12.06041 23.84813 8.804626 7.873220 
14.93235 
1 1 1 12  19  30 o 37.14625 7.591452  273.0161       110.2324 464.7533       
230.7420 216.3164       125.4770 43.59438 12.15586 30.69812 9.097017 12.89627 
15.18290 
1 1 1 12  19  31 o 35.41635 7.586759  268.3632       106.1741 374.3517       
228.9025 239.3092       119.8463 38.86532 12.43222 31.96738 8.699171 6.897945 
15.17352 
1 1 1 12  19  32 o 40.26044 7.397435  367.1816       107.1888 457.9105       
241.5113 344.9258       119.6153 41.92754 12.66086 38.59334 7.654464 3.334206 
14.79487 
1 1 1 12  19  33 o 62.42814 5.319749  779.0662       121.7417 1130.576       
257.4070 677.7830       138.1721 69.47075 8.825503 55.38552 5.942173 14.08522 
10.63950 
1 1 1 12  19  34 o 22.79392 7.076437  33.70558       113.0809 15.56152       
240.8676 38.83522       128.0722 25.09343 11.19663 20.49441 8.656750 4.599014 
14.15287 
1 1 1 12  19  35 o 45.29987 7.175725  516.4163       123.3224 559.7488       
235.9098 500.1220       144.6624 44.32991 12.26813 46.26984 7.446954 -1.939922 
14.35145 
1 1 1 12  19  36 o 24.72556 6.845843  88.70447       99.21281 260.3038       
181.6447 15.74700       118.4404 30.84802 11.03809 18.60310 8.100787 12.24493 
13.69169 
1 1 1 12  19  37 o 31.97516 7.228919  310.2736       121.3203 126.1438       
227.4764 383.4672       143.4204 25.87528 11.24633 38.07504 9.085654 -12.19976 
14.45784 
1 1 1 12  19  38 o 31.02853 6.921558  311.8472       112.5117 111.1597       
235.5524 371.1681       128.0652 24.63758 11.03065 37.41948 8.364003 -12.78189 
13.84312 
1 1 1 12  19  39 o 31.55100 7.718459  225.5106       108.4062 650.9921       
242.6287 119.3868       121.1737 41.32335 12.73315 21.77865 8.727271 19.54469 
15.43692 
1 1 1 12  20  0  o 178.6845 3.360487  6702.763       248.6206 6983.498       
388.3882 6507.860       323.6139 181.7550 5.089800 175.6140 4.389239 6.141037 
6.720973 
1 1 1 12  20  1  o 129.0661 2.639506  3564.917       129.8892 3375.898       
237.3941 3645.681       155.1772 126.4836 4.470508 131.6486 2.807585 -5.164963 
5.279013 
1 1 1 12  20  2  o 90.26514 2.367013  1702.249       82.51337 1748.042       
150.6057 1682.608       98.63426 91.07764 3.938679 89.45264 2.626369 1.625000 
4.734026 
1 1 1 12  20  3  o 91.08529 2.492492  1559.060       79.67039 2101.809       
178.9460 1424.878       88.97533 99.84717 4.268816 82.32341 2.574348 17.52376 
4.984983 
1 1 1 12  20  4  o 161.8706 3.107788  5365.163       184.0786 5850.708       
371.9926 5207.711       211.8326 166.4167 5.324250 157.3244 3.207139 9.092255 
6.215575 
1 1 1 12  20  5  o 66.58994 2.815635  980.2947       71.15574 821.1055       
126.5006 1053.974       86.06142 62.38563 4.829800 70.79424 2.895554 -8.408604 
5.631269 
1 1 1 12  20  6  o 142.2873 2.638764  4287.547       155.7734 4082.578       
236.0536 4445.661       207.3253 139.2219 4.038538 145.3527 3.397428 -6.130798 
5.277528 
1 1 1 12  20  7  o 166.0858 3.245367  5825.999       225.8483 5577.148       
325.0879 6058.159       313.9963 162.6243 4.761418 169.5472 4.411181 -6.922882 
6.490734 
1 1 1 12  20  8  o 68.29393 3.059197  996.9237       80.16666 947.3052       
145.0598 1018.742       96.19042 66.99929 5.157008 69.58858 3.292418 -2.589287 
6.118394 
1 1 1 12  20  9  o 63.17675 3.802283  871.2983       94.63553 753.9272       
158.6581 936.1189       117.9065 59.69192 6.330934 66.66158 4.212920 -6.969666 
7.604566 
1 1 1 12  20  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  20  11 o 65.36153 4.467010  930.4772       109.6990 843.6389       
202.8145 966.3881       130.4237 63.01812 7.665748 67.70495 4.588356 -4.686829 
8.934020 
1 1 1 12  20  12 o 90.37669 6.919841  1731.829       262.5618 1731.829       
262.5618 0.000000       0.000000 90.37669 6.919841 ?        ?        ? ? 
1 1 1 12  20  13 o 59.76276 4.573473  737.0093       110.5952 828.8487       
187.1568 687.7333       137.0911 62.49086 7.133625 57.03466 5.725210 5.456200 
9.146947 
1 1 1 12  20  14 o 128.6385 3.626876  3519.205       190.5142 3384.609       
304.1986 3606.068       244.3754 126.5056 5.727545 130.7714 4.451085 -4.265755 
7.253752 
1 1 1 12  20  15 o 29.12886 5.909158  168.3957       71.94849 242.3982       
129.8935 135.6419       86.41621 33.12272 9.075591 25.13500 7.570089 7.987724 
11.81832 
1 1 1 12  20  16 o 62.02631 3.493552  806.7729       88.17786 836.0108       
144.7782 789.5316       111.1773 62.86904 5.485136 61.18357 4.328152 1.685471 
6.987104 
1 1 1 12  20  17 o 137.4399 3.853266  3980.374       215.2630 4061.062       
353.1189 3932.656       271.5548 138.4130 6.076662 136.4669 4.739705 1.946121 
7.706531 
1 1 1 12  20  18 o 34.34686 5.565434  282.1812       77.95154 168.7173       
135.3186 338.5339       95.36433 28.71149 9.571843 39.98223 5.681199 -11.27074 
11.13087 
1 1 1 12  20  19 o 166.8340 3.379277  5915.248       233.9743 5618.454       
353.7780 6145.989       311.9370 163.0032 5.169586 170.6649 4.353553 -7.661682 
6.758554 
1 1 1 12  20  20 o 54.45255 4.072693  599.2496       88.00572 715.8948       
157.2198 546.0231       106.2033 58.07339 6.448388 50.83171 4.976504 7.241684 
8.145386 
1 1 1 12  20  21 o 141.7167 3.140839  4218.944       177.9000 4301.973       
303.3282 4175.409       219.6421 142.6618 5.064376 140.7716 3.716393 1.890198 
6.281678 
1 1 1 12  20  22 o 28.45819 5.704133  196.2544       78.37868 10.04099       
150.3904 265.6940       91.83704 22.09574 9.359280 34.82064 6.523221 -12.72490 
11.40827 
1 1 1 12  20  23 o 96.44444 3.185199  2037.873       111.7461 1815.475       
216.3108 2118.831       130.5099 92.56670 5.566016 100.3222 3.098616 -7.755478 
6.370397 
1 1 1 12  20  24 o 83.92931 3.214512  1468.222       100.1996 1534.676       
195.8552 1444.663       116.6164 85.06168 5.484312 82.79693 3.354800 2.264755 
6.429025 
1 1 1 12  20  25 o 62.31236 3.937890  740.0593       91.15317 1016.186       
187.9620 655.1503       104.2300 68.98494 6.489883 55.63979 4.461986 13.34515 
7.875779 
1 1 1 12  20  26 o 65.26035 3.268297  808.6724       79.07469 1112.992       
163.6826 716.0273       90.31261 72.30882 5.391782 58.21188 3.695370 14.09695 
6.536595 
1 1 1 12  20  27 o 64.18792 3.834587  742.5245       89.16226 1172.055       
195.2877 629.4067       100.2174 73.90978 6.293525 54.46606 4.382666 19.44372 
7.669173 
1 1 1 12  20  28 o 29.44036 6.431800  187.5240       78.41138 184.0594       
166.4949 188.5115       88.88588 29.96087 10.58303 28.91986 7.312439 1.041002 
12.86360 
1 1 1 12  20  29 o 72.90059 5.315030  1185.709       143.3178 1111.755       
272.3551 1214.029       168.5397 70.55724 9.194221 75.24394 5.335212 -4.686699 
10.63006 
1 1 1 12  20  30 o 44.55395 6.916308  544.4965       116.8826 274.1180       
232.5431 635.8932       135.2020 34.93266 12.49024 54.17524 5.944337 -19.24259 
13.83262 
1 1 1 12  20  31 o 32.25647 7.796477  192.7640       111.1013 372.7983       
233.8751 140.2956       126.2570 38.63869 12.58372 25.87426 9.208166 12.76443 
15.59295 
1 1 1 12  20  32 o 29.27619 6.973735  208.3368       112.3203 -43.02555      
229.9900 287.0653       128.7137 23.93177 10.79902 34.62060 8.826845 -10.68882 
13.94747 
1 1 1 12  20  33 o 75.49767 4.287783  1174.018       118.6144 1459.916       
244.4516 1085.976       135.6541 80.19787 7.260242 70.79747 4.563902 9.400398 
8.575565 
1 1 1 12  20  34 o 48.66838 6.695971  532.5369       111.1936 688.0354       
245.9514 492.5897       124.6608 50.56206 11.79179 46.77470 6.348046 3.787365 
13.39194 
1 1 1 12  20  35 o 26.69385 6.812062  168.3401       112.7797 -83.52556      
216.9117 261.6525       132.0286 21.43064 9.966696 31.95706 9.288797 -10.52642 
13.62412 
1 1 1 12  20  36 o 18.43068 6.201322  -121.3358      112.7086 -39.98029      
217.0559 -151.3699      131.8822 21.96793 10.12148 14.89342 7.168066 7.074501 
12.40264 
1 1 1 12  20  37 o 53.60127 7.063449  833.7536       129.6229 640.2623       
255.5511 900.7796       150.4075 44.48821 12.92041 62.71433 5.712467 -18.22612 
14.12690 
1 1 1 12  20  38 o 29.01666 6.844226  266.4270       120.0717 -20.61062      
234.4068 368.5327       139.8060 21.69441 10.17163 36.33891 9.160333 -14.64450 
13.68845 
1 1 1 12  20  39 f 19.87223 6.601201  -17.73243      110.3604 142.8789       
244.5213 -58.81831      123.6730 24.13118 10.97889 15.61329 7.332624 8.517895 
13.20240 
1 1 1 12  21  0  o 53.30060 2.475736  572.4941       49.70279 657.1035       
97.05013 542.4128       57.86762 55.81948 4.141249 50.78173 2.714246 5.037750 
4.951472 
1 1 1 12  21  1  o 55.19859 2.550685  641.8563       53.21206 641.9461       
100.1024 641.8209       62.82338 55.15835 4.322692 55.23883 2.708931 
-0.8048248E-01 5.101370 
1 1 1 12  21  2  o 90.30174 2.251891  1747.795       80.64145 1618.070       
136.2461 1817.746       100.0483 87.63153 3.703265 92.97196 2.563177 -5.340431 
4.503782 
1 1 1 12  21  3  o 69.97369 2.476783  1030.711       67.15696 1032.480       
121.0923 1029.926       80.70570 69.97289 4.121999 69.97449 2.747169 
-0.1609802E-02 4.953566 
1 1 1 12  21  4  o 170.6007 2.833715  6142.487       198.5338 6098.878       
314.7891 6171.290       255.8306 170.0226 4.409956 171.1788 3.559783 -1.156281 
5.667430 
1 1 1 12  21  5  o 116.1701 2.385736  2829.624       102.0253 2864.857       
200.7609 2817.357       118.4629 116.5764 4.101942 115.7637 2.437423 0.8126984 
4.771473 
1 1 1 12  21  6  o 66.36178 2.743536  908.0677       66.56391 968.2997       
134.0075 888.3392       76.69431 67.73366 4.712437 64.98990 2.810854 2.743759 
5.487072 
1 1 1 12  21  7  o 83.49454 2.629161  1424.923       77.69901 1549.445       
164.8234 1389.345       88.10255 85.69942 4.581019 81.28966 2.581513 4.409760 
5.258321 
1 1 1 12  21  8  o 95.14313 2.623444  1871.948       91.07005 1976.257       
183.4893 1837.855       104.9028 96.79601 4.515172 93.49024 2.672648 3.305771 
5.246887 
1 1 1 12  21  9  o 27.02141 6.586833  115.0959       83.79433 223.0516       
160.7228 74.79830       98.19604 32.49479 10.41979 21.54803 8.060611 10.94676 
13.17367 
1 1 1 12  21  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  21  11 o 53.81569 4.677921  572.8266       95.80370 713.9349       
186.6545 522.3564       111.6296 57.91569 7.676499 49.71568 5.348192 8.200008 
9.355843 
1 1 1 12  21  12 o 90.50285 3.992506  1725.931       145.1038 1755.606       
244.6808 1709.834       180.2133 91.00149 6.404311 90.00421 4.769194 0.9972763 
7.985011 
1 1 1 12  21  13 o 17.34910 7.610045  -24.59363      106.1119 0.000000       
0.000000 -24.59363      106.1119 ?        ?        17.34910 7.610045 ? ? 
1 1 1 12  21  14 o 185.7804 6.314383  7526.299       469.2618 6920.819       
775.2091 7876.486       589.5471 179.1600 10.30621 192.4009 7.298481 -13.24084 
12.62877 
1 1 1 12  21  15 o 65.11354 3.707003  893.9520       101.1283 978.9482       
146.9978 817.5777       139.3429 68.05244 5.145034 62.17463 5.338174 5.877815 
7.414006 
1 1 1 12  21  16 f 122.9571 3.432784  3122.529       160.6574 3363.537       
303.9248 3029.070       189.2613 126.0198 5.744449 119.8945 3.759964 6.125343 
6.865568 
1 1 1 12  21  17 o 59.50656 4.099464  773.8517       90.67773 698.1939       
170.2733 803.8024       107.1330 57.27808 7.080750 61.73505 4.133448 -4.456966 
8.198928 
1 1 1 12  21  18 o 75.37959 3.552065  1256.531       103.2027 1051.901       
178.3977 1359.458       126.5230 70.43906 6.032492 80.32014 3.752028 -9.881081 
7.104130 
1 1 1 12  21  19 o 73.22192 3.626656  1148.937       102.7489 1092.776       
183.1636 1174.725       124.1173 71.79428 6.076736 74.64957 3.960280 -2.855293 
7.253313 
1 1 1 12  21  20 o 168.6575 3.102677  5929.178       185.9212 6140.353       
387.5927 5866.066       211.8900 170.3547 5.419291 166.9602 3.022863 3.394516 
6.205354 
1 1 1 12  21  21 o 106.5180 3.475876  2217.201       121.9347 2698.097       
292.5226 2116.071       134.1445 112.7757 6.178245 100.2604 3.186873 12.51530 
6.951753 
1 1 1 12  21  22 o 131.6779 2.879114  3749.123       153.4123 3270.314       
243.1277 4065.881       197.7505 124.4190 4.654456 138.9369 3.390165 -14.51797 
5.758227 
1 1 1 12  21  23 o 48.18255 4.962554  518.1278       82.00082 472.8145       
165.4875 532.8745       94.40553 46.14726 8.857623 50.21783 4.477757 -4.070576 
9.925109 
1 1 1 12  21  24 o 138.1191 3.661099  3808.441       168.7452 4448.077       
393.9695 3664.728       186.7421 144.3981 6.498634 131.8401 3.373773 12.55803 
7.322198 
1 1 1 12  21  25 o 71.97374 3.523935  1093.019       92.30562 1112.856       
184.7948 1086.424       106.5501 72.20869 6.095668 71.73878 3.537699 0.4699020 
7.047871 
1 1 1 12  21  26 o 43.02515 5.168343  331.1727       81.81889 592.5771       
170.5592 253.0374       93.24863 52.31216 7.765933 33.73814 6.821829 18.57401 
10.33669 
1 1 1 12  21  27 o 79.96297 3.443831  1404.116       100.5302 1272.092       
194.1331 1452.492       117.5137 77.02409 6.003356 82.90186 3.376333 -5.877777 
6.887663 
1 1 1 12  21  28 f 29.37126 6.527706  171.7107       78.33915 236.3906       
165.9161 153.1543       88.86905 32.54520 10.59891 26.19732 7.622791 6.347889 
13.05541 
1 1 1 12  21  29 o 75.62404 4.527359  1176.145       115.4385 1352.614       
263.7266 1134.320       128.3918 78.25565 8.027110 72.99243 4.189678 5.263222 
9.054717 
1 1 1 12  21  30 o 62.84809 5.991949  911.5510       120.3441 864.4391       
265.8184 923.6967       134.9682 60.12127 10.93525 65.57491 4.902469 -5.453648 
11.98390 
1 1 1 12  21  31 o 21.01821 6.414530  17.17977       89.84227 35.28873       
184.0840 11.51766       102.9339 23.96916 10.26041 18.06726 7.701221 5.901907 
12.82906 
1 1 1 12  21  32 o 24.12297 7.232777  59.42462       110.2045 73.69090       
232.0458 55.26962       125.2287 26.92095 11.52173 21.32500 8.746545 5.595953 
14.46555 
1 1 1 12  21  33 o 25.81662 6.938728  129.7411       95.18686 168.8593       
182.7363 115.1747       111.5097 28.13634 10.87212 23.49689 8.624435 4.639458 
13.87746 
1 1 1 12  21  34 o 28.76199 7.435909  200.2999       111.8644 147.6453       
221.9256 218.2353       129.5225 27.93286 11.57277 29.59112 9.340344 -1.658257 
14.87182 
1 1 1 12  21  35 o 31.78676 7.568464  271.7608       115.2196 231.6708       
225.3134 285.9568       134.0764 30.25021 11.97585 33.32331 9.257737 -3.073101 
15.13693 
1 1 1 12  21  36 o 57.14252 5.869771  752.4966       127.7170 930.9339       
245.0073 685.9183       149.6590 59.93983 9.736090 54.34521 6.559376 5.594620 
11.73954 
1 1 1 12  21  37 o 39.56435 7.101624  488.7548       123.8319 294.1349       
237.3418 561.5499       145.1549 30.84510 12.26610 48.28360 7.160664 -17.43849 
14.20325 
1 1 1 12  21  38 o 26.04667 7.531124  178.7072       119.0664 258.1558       
231.3353 150.0761       138.8732 28.14398 11.74740 23.94936 9.427088 4.194618 
15.06225 
1 1 1 12  21  39 o 30.61314 8.101533  356.5869       146.3056 281.9263       
246.5581 397.1636       181.7655 27.41973 11.80980 33.80655 11.09360 -6.386822 
16.20307 
1 1 1 12  22  0  o 85.45344 2.149068  1525.043       66.53857 1559.969       
134.4622 1513.717       76.57101 86.04271 3.722264 84.86417 2.149122 1.178543 
4.298136 
1 1 1 12  22  1  o 52.51486 2.505644  541.3049       49.82088 673.5466       
97.94949 495.1518       57.86531 56.51507 4.128183 48.51465 2.840969 8.000420 
5.011287 
1 1 1 12  22  2  o 91.32439 2.231313  1787.230       78.45586 1674.542       
140.6108 1838.171       94.54053 89.14511 3.757010 93.50368 2.408299 -4.358566 
4.462626 
1 1 1 12  22  3  o 41.52950 3.252562  358.4518       52.37060 378.9509       
95.53999 349.6467       62.61598 42.32128 5.377091 40.73772 3.661083 1.583561 
6.505124 
1 1 1 12  22  4  o 83.70450 2.355496  1487.318       76.97048 1442.187       
135.7835 1508.686       93.43198 82.71307 3.910156 84.69593 2.627569 -1.982864 
4.710991 
1 1 1 12  22  5  o 38.35949 3.946680  330.8205       55.28601 281.6272       
99.78098 352.6130       66.41221 35.81782 6.880941 40.90116 3.867527 -5.083340 
7.893359 
1 1 1 12  22  6  f 85.07711 2.561882  1512.949       87.70256 1566.136       
147.8930 1484.100       108.9213 86.18017 4.087533 83.97405 3.089503 2.206116 
5.123764 
1 1 1 12  22  7  o 65.96255 2.797440  916.3926       69.91395 919.0751       
131.0618 915.3257       82.65659 65.97055 4.732027 65.95454 2.985065 
0.1600647E-01  5.594881 
1 1 1 12  22  8  o 103.1166 2.551818  2261.763       109.3297 1942.404       
157.5826 2558.153       151.8099 95.99851 3.909893 110.2347 3.280218 -14.23624 
5.103635 
1 1 1 12  22  9  o 152.7637 4.706770  4930.210       285.2277 5035.684       
493.8382 4877.411       349.3986 153.6988 7.653062 151.8285 5.481366 1.870285 
9.413540 
1 1 1 12  22  10 o 96.28982 4.718949  1962.501       189.9841 2040.056       
283.9104 1899.612       255.6608 97.96761 6.902713 94.61202 6.436339 3.355591 
9.437898 
1 1 1 12  22  11 o 19.93927 6.093903  3.177962       82.56990 -41.32299      
169.5427 17.01473       94.53919 21.75466 9.580410 18.12387 7.533815 3.630781 
12.18781 
1 1 1 12  22  12 o 20.88886 6.141205  27.08869       87.43386 -121.6970      
175.9779 75.85564       100.7489 20.03179 9.181077 21.74593 8.158763 -1.714140 
12.28241 
1 1 1 12  22  13 o 55.01465 4.789771  632.5830       101.6981 670.4305       
187.0111 616.6907       121.1832 56.03645 7.949098 53.99285 5.345977 2.043598 
9.579542 
1 1 1 12  22  14 o 51.98421 4.908055  553.3511       99.60839 633.0868       
182.3544 519.4427       118.9167 54.44511 7.977715 49.52332 5.719447 4.921795 
9.816110 
1 1 1 12  22  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  22  16 o 74.85349 4.608207  1167.198       130.0745 1241.892       
249.0225 1139.173       152.5376 76.28651 7.775207 73.42048 4.948581 2.866028 
9.216414 
1 1 1 12  22  17 o 64.35259 3.406403  878.5812       87.19173 862.7536       
148.7427 886.8671       107.6212 63.84344 5.549330 64.86175 3.952121 -1.018307 
6.812805 
1 1 1 12  22  18 o 124.9811 2.930259  3273.063       127.8635 3332.268       
272.1261 3256.288       144.8490 125.5429 5.162963 124.4193 2.772994 1.123604 
5.860519 
1 1 1 12  22  19 o 157.3954 3.971698  4975.805       210.9362 5707.497       
483.4417 4803.754       234.4282 163.7964 7.030090 150.9945 3.698023 12.80183 
7.943396 
1 1 1 12  22  20 o 85.71188 3.155103  1456.498       95.21078 1727.150       
207.4068 1384.235       107.1700 90.33112 5.468984 81.09264 3.147842 9.238480 
6.310205 
1 1 1 12  22  21 o 99.58105 2.902618  2054.853       103.0960 2162.794       
214.5741 2022.455       117.5537 101.1242 5.054090 98.03787 2.856034 3.086365 
5.805235 
1 1 1 12  22  22 o 66.28194 3.542921  900.2394       86.57953 991.9769       
173.2628 869.7090       99.95350 68.33989 6.038820 64.22399 3.706993 4.115898 
7.085841 
1 1 1 12  22  23 f 114.6533 3.239027  2733.798       133.2242 2872.872       
274.7175 2691.034       152.3359 116.3008 5.626325 113.0059 3.210866 3.294907 
6.478055 
1 1 1 12  22  24 o 64.44035 4.012080  881.4879       92.11001 888.0868       
189.6438 879.4507       105.3739 64.36427 7.018024 64.51643 3.890306 
-0.1521606     8.024160 
1 1 1 12  22  25 o 33.69260 6.203189  225.0155       78.75021 331.1786       
162.0780 192.2075       90.10049 38.08359 10.00637 29.30161 7.334227 8.781979 
12.40638 
1 1 1 12  22  26 o 44.09980 5.662488  466.2032       83.94382 366.2625       
173.3399 496.8221       95.94489 39.85374 10.29129 48.34586 4.726979 -8.492115 
11.32498 
1 1 1 12  22  27 o 29.96575 6.503043  177.6265       78.53308 254.0545       
164.9917 155.2390       89.29744 33.54209 10.53356 26.38940 7.629045 7.152683 
13.00609 
1 1 1 12  22  28 o 87.00253 3.250315  1472.953       99.92123 1884.919       
219.6474 1365.450       112.2037 93.68237 5.584564 80.32269 3.327286 13.35967 
6.500629 
1 1 1 12  22  29 o 61.92459 5.500864  828.7288       125.7695 888.9377       
247.8827 807.8559       145.9508 62.67565 9.420380 61.17353 5.682823 1.502125 
11.00173 
1 1 1 12  22  30 o 38.06418 7.534502  309.6864       111.9350 458.1932       
226.9206 261.9313       128.6798 42.78067 12.09579 33.34768 8.987024 9.432995 
15.06900 
1 1 1 12  22  31 o 85.30759 4.973375  1707.387       154.6882 1424.194       
288.9399 1821.166       183.1451 78.74114 8.740310 91.87404 4.748141 -13.13290 
9.946751 
1 1 1 12  22  32 o 39.43284 7.031885  408.1627       112.8603 292.2502       
221.9493 448.5862       131.0707 34.19114 12.20469 44.67453 6.988221 -10.48339 
14.06377 
1 1 1 12  22  33 o 28.34037 6.594941  201.9112       92.21265 97.49142       
179.4638 239.3690       107.4870 25.18628 10.41917 31.49447 8.087888 -6.308193 
13.18988 
1 1 1 12  22  34 o 53.36907 6.529425  723.4517       122.4513 650.6797       
236.0602 750.2419       143.2281 48.87601 11.65209 57.86213 5.895967 -8.986126 
13.05885 
1 1 1 12  22  35 o 35.55566 7.830680  291.9119       115.3233 518.2245       
235.7212 220.6985       132.2285 41.82882 12.48351 29.28250 9.457284 12.54632 
15.66136 
1 1 1 12  22  36 o 23.08065 6.804684  96.15260       106.7683 -44.31988      
226.9583 136.0750       120.9925 22.09763 10.24527 24.06367 8.958200 -1.966032 
13.60937 
1 1 1 12  22  37 o 28.92747 7.503806  244.7405       119.2690 165.5390       
237.2254 271.5330       137.9754 26.66386 11.53531 31.19108 9.600269 -4.527222 
15.00761 
1 1 1 12  22  38 o 38.47280 7.081283  427.0209       109.1208 493.1409       
198.6158 398.4338       130.5967 38.55382 11.44935 38.39178 8.336101 0.1620445 
14.16257 
1 1 1 12  22  39 o 25.65474 7.694585  213.4093       143.5555 194.3674       
238.9527 224.1635       179.5741 25.15496 11.19003 26.15452 10.56456 
-0.9995632     15.38917 
1 1 1 12  23  0  f 132.4087 2.140281  3691.327       112.5325 3687.655       
193.5522 3693.202       138.3119 132.2997 3.484659 132.5177 2.486033 
-0.2179260     4.280562 
1 1 1 12  23  1  o 24.91689 4.194118  140.8104       42.31758 108.3130       
74.63206 156.2095       51.37458 22.63284 7.079854 27.20093 4.498684 -4.568094 
8.388236 
1 1 1 12  23  2  o 137.5834 2.352402  4006.636       130.9024 3906.174       
214.9280 4065.878       165.0453 136.1472 3.760151 139.0195 2.827798 -2.872299 
4.704803 
1 1 1 12  23  3  o 116.5990 2.374022  2897.417       113.3007 2694.688       
178.0120 3035.468       146.8968 113.0849 3.749432 120.1130 2.913020 -7.028069 
4.748044 
1 1 1 12  23  4  o 93.21841 2.369372  1875.578       87.18474 1688.765       
147.4641 1975.970       108.1019 89.50790 3.924155 96.92892 2.656445 -7.421021 
4.738743 
1 1 1 12  23  5  o 43.55218 3.890678  447.5767       58.93193 322.7451       
108.3524 500.0168       70.22765 38.37637 6.983212 48.72799 3.432818 -10.35162 
7.781355 
1 1 1 12  23  6  o 103.8247 2.619893  2239.070       106.4731 2359.915       
190.7588 2184.386       128.3217 105.7644 4.296021 101.8851 2.999925 3.879234 
5.239785 
1 1 1 12  23  7  o 70.06958 2.844567  978.8635       76.01646 1170.732       
146.5144 908.1909       88.92105 74.45689 4.687016 65.68227 3.224612 8.774620 
5.689134 
1 1 1 12  23  8  o 114.1053 2.909215  2822.052       127.8061 2549.331       
226.6487 2949.203       154.7578 109.8382 4.914971 118.3724 3.114031 -8.534256 
5.818430 
1 1 1 12  23  9  o 52.95650 4.438115  580.9443       88.46400 627.2196       
170.4652 563.8882       103.4908 54.24559 7.485009 51.66741 4.770963 2.578182 
8.876229 
1 1 1 12  23  10 o 55.31380 5.546772  650.6614       127.6004 781.2479       
186.7321 536.2702       174.7698 60.55782 7.344627 50.06978 8.314034 10.48804 
11.09354 
1 1 1 12  23  11 o 24.85069 6.484501  109.0302       83.52207 60.04010       
166.2482 125.5699       96.59763 25.00704 10.13862 24.69433 8.087236 0.3127136 
12.96900 
1 1 1 12  23  12 o 163.5980 5.207364  5699.656       318.3209 5706.492       
609.0137 5697.087       373.3850 163.1154 8.893102 164.0806 5.420268 
-0.9652100     10.41473 
1 1 1 12  23  13 o 81.56769 4.029133  1407.576       126.0914 1412.616       
231.2946 1405.444       150.4068 81.52567 6.757596 81.60970 4.389822 
-0.8402252E-01 8.058266 
1 1 1 12  23  14 o 167.1652 5.676659  5863.516       373.2849 6270.810       
663.8133 5675.160       451.4215 170.8635 9.253748 163.4670 6.577688 7.396545 
11.35332 
1 1 1 12  23  15 o 168.0791 6.013804  6028.093       395.2076 6095.499       
701.2742 5996.721       478.4147 168.1803 9.931936 167.9779 6.783806 0.2023468 
12.02761 
1 1 1 12  23  16 o 237.0619 8.497440  12316.69       783.0487 12079.40       
1389.630 12427.09       947.8635 233.6513 14.16615 240.4725 9.388612 -6.821274 
16.99488 
1 1 1 12  23  17 o 168.9716 10.17833  6161.468       722.0535 6161.468       
722.0535 0.000000       0.000000 168.9716 10.17833 ?        ?        ? ? 
1 1 1 12  23  18 o 49.57858 6.112165  574.9221       108.3552 453.5749       
202.5368 623.5800       128.2525 44.88959 10.85110 54.26757 5.629198 -9.377979 
12.22433 
1 1 1 12  23  19 o 50.28777 4.105412  503.8965       76.89420 606.4388       
154.2776 470.0036       88.69624 53.39147 6.882590 47.18406 4.477452 6.207413 
8.210824 
1 1 1 12  23  20 o 105.4861 3.367075  2304.061       125.6335 2440.964       
264.9491 2264.350       142.6960 107.2792 5.882580 103.6929 3.277808 3.586296 
6.734149 
1 1 1 12  23  21 o 50.22823 4.809439  608.2699       80.94282 428.2181       
155.5620 675.1141       94.78433 43.89362 8.751655 56.56285 3.991410 -12.66923 
9.618878 
1 1 1 12  23  22 o 89.74546 3.312034  1647.258       107.4477 1818.568       
221.6338 1594.625       122.8499 92.51674 5.706066 86.97418 3.364384 5.542557 
6.624067 
1 1 1 12  23  23 o 45.83372 4.668293  401.2996       79.40838 556.3264       
164.1739 353.9546       90.72729 50.84645 7.690678 40.82100 5.293896 10.02545 
9.336587 
1 1 1 12  23  24 o 80.31754 3.436713  1322.663       99.12722 1461.828       
206.3984 1280.939       113.0144 82.74435 5.941404 77.89072 3.455964 4.853630 
6.873425 
1 1 1 12  23  25 o 115.1202 2.924942  2840.966       121.7087 2742.448       
242.9088 2873.990       140.6354 113.4946 5.097872 116.7458 2.869292 -3.251106 
5.849884 
1 1 1 12  23  26 o 79.80814 3.494543  1394.080       100.4009 1283.640       
198.8033 1431.892       116.3255 77.31188 6.124892 82.30441 3.366455 -4.992523 
6.989086 
1 1 1 12  23  27 o 68.41824 3.624421  927.2798       89.36391 1148.547       
189.5448 864.0395       101.3329 72.99831 6.184721 63.83818 3.780864 9.160133 
7.248842 
1 1 1 12  23  28 o 38.95807 7.391379  333.5702       110.3558 411.5291       
224.7472 308.8026       126.6787 41.26955 12.15901 36.64660 8.407635 4.622955 
14.78276 
1 1 1 12  23  29 o 31.46626 7.209852  217.0123       103.0022 264.3261       
183.7513 195.3335       124.3809 33.69568 11.15404 29.23684 9.138671 4.458839 
14.41970 
1 1 1 12  23  30 o 116.8511 3.810447  2972.012       183.6928 2893.606       
285.1995 3027.598       240.1359 115.1600 5.898861 118.5422 4.825088 -3.382179 
7.620895 
1 1 1 12  23  31 o 49.22063 6.461395  585.4265       119.2775 535.4233       
213.5604 608.0964       143.7959 46.07684 11.14524 52.36443 6.540807 -6.287582 
12.92279 
1 1 1 12  23  32 o 77.12959 5.395196  1445.489       152.9728 1146.408       
275.6828 1578.543       183.8779 69.26243 9.480538 84.99675 5.152860 -15.73432 
10.79039 
1 1 1 12  23  33 o 28.24148 6.411736  204.6035       95.15376 37.44184       
176.9654 272.5886       112.8567 22.94429 9.945097 33.53866 8.095462 -10.59436 
12.82347 
1 1 1 12  23  34 o 57.43608 5.605158  756.5944       118.6378 832.9955       
233.5113 730.0117       137.7392 57.78642 9.625054 57.08574 5.747130 0.7006798 
11.21032 
1 1 1 12  23  35 o 30.08906 7.712195  228.1892       114.9927 280.0329       
227.6925 210.4385       133.2323 31.62210 12.15336 28.55601 9.497771 3.066093 
15.42439 
1 1 1 12  23  36 f 47.16830 6.115505  538.5143       105.3748 625.4830       
204.1594 506.9324       123.0289 47.56681 10.50428 46.76980 6.265599 0.7970085 
12.23101 
1 1 1 12  23  37 o 24.43908 7.002221  143.1199       116.3304 -16.37468      
231.8492 196.7831       134.4841 22.08345 10.28336 26.79470 9.506680 -4.711248 
14.00444 
1 1 1 12  23  38 o 44.34162 7.663809  562.8038       128.4160 773.8224       
252.3118 489.0324       149.1836 46.70446 12.58328 41.97877 8.751974 4.725693 
15.32762 
1 1 1 12  24  0  o 103.7659 1.967510  2154.432       68.00155 2454.766       
158.5106 2086.690       75.28100 107.8904 3.499424 99.64148 1.799560 8.248901 
3.935020 
1 1 1 12  24  1  o 68.48752 2.246570  984.2509       58.80011 996.9961       
108.9253 979.0094       69.85210 68.75153 3.773702 68.22351 2.438745 0.5280228 
4.493140 
1 1 1 12  24  2  o 90.85913 2.483717  1725.322       82.27606 1768.396       
164.7624 1711.013       94.96384 91.52374 4.287909 90.19452 2.507836 1.329224 
4.967434 
1 1 1 12  24  3  o 94.08533 2.797034  1892.193       94.70012 1816.907       
190.1633 1917.020       109.2046 92.71135 4.885566 95.45932 2.724856 -2.747971 
5.594068 
1 1 1 12  24  4  o 86.98753 2.684866  1610.836       86.06814 1561.318       
167.1827 1628.693       100.3943 85.98297 4.631268 87.99208 2.717606 -2.009109 
5.369732 
1 1 1 12  24  5  o 36.84374 4.156434  282.4683       55.67927 314.3418       
108.8037 271.1599       64.80815 37.83814 7.110732 35.84934 4.305955 1.988800 
8.312867 
1 1 1 12  24  6  o 15.03892 4.698598  -17.39427      54.21518 -42.90307      
100.5587 -6.941170      64.37204 16.12908 7.214593 13.94875 6.021375 2.180331 
9.397197 
1 1 1 12  24  7  o 107.7157 2.789054  2390.566       110.8816 2562.392       
220.2594 2332.240       128.3284 110.1462 4.763061 105.2852 2.903196 4.860939 
5.578108 
1 1 1 12  24  8  o 67.89586 2.778951  990.9708       73.97802 916.3491       
127.7494 1028.620       90.74097 65.88097 4.618702 69.91074 3.091581 -4.029762 
5.557902 
1 1 1 12  24  9  o 263.7495 7.697753  15036.64       774.1754 15142.18       
1431.517 14993.01       920.3813 262.6813 12.98042 264.8177 8.278311 -2.136475 
15.39551 
1 1 1 12  24  10 o 106.8130 4.617270  2437.149       205.5738 2264.844       
302.4527 2585.101       280.2640 103.1960 6.980968 110.4301 6.045066 -7.234093 
9.234541 
1 1 1 12  24  11 f 62.76869 4.321532  792.4654       105.5518 950.2629       
196.2055 728.1984       125.2147 66.84315 6.991580 58.69423 5.081374 8.148930 
8.643064 
1 1 1 12  24  12 o 180.4780 4.966962  6903.534       359.1723 7012.132       
608.1329 6845.360       445.0966 181.2148 7.993294 179.7411 5.898314 1.473724 
9.933925 
1 1 1 12  24  13 o 24.25438 6.474118  41.97501       86.93859 199.7197       
164.2275 -19.44387      102.4754 31.29889 10.54484 17.20986 7.514204 14.08904 
12.94824 
1 1 1 12  24  14 o 89.68938 4.406322  1709.844       156.1240 1695.913       
270.5806 1716.797       191.1534 89.25500 7.220798 90.12375 5.052006 
-0.8687515     8.812643 
1 1 1 12  24  15 o 18.78046 5.977389  -49.48724      91.57175 -102.5521      
171.3158 -28.26151      108.3490 20.16474 9.178395 17.39619 7.659883 2.768541 
11.95478 
1 1 1 12  24  16 o 41.80006 6.751003  357.1673       110.6408 508.5585       
197.2581 287.6779       133.6422 47.67429 10.15706 35.92584 8.895972 11.74846 
13.50201 
1 1 1 12  24  17 o 77.67299 4.507028  1132.430       129.6551 1612.342       
270.1708 988.8339       147.7849 86.96851 7.399417 68.37747 5.147993 18.59103 
9.014055 
1 1 1 12  24  18 o 78.43114 5.181167  1301.513       170.6063 0.000000       
0.000000 1301.513       170.6063 ?        ?        78.43114 5.181167 ? ? 
1 1 1 12  24  19 o 59.81332 9.162249  770.7070       230.0800 770.7070       
230.0800 0.000000       0.000000 59.81332 9.162249 ?        ?        ? ? 
1 1 1 12  24  20 o 32.03289 7.496231  201.9559       106.5893 247.5111       
209.5771 186.0609       123.7960 34.71205 11.91062 29.35373 9.105550 5.358326 
14.99246 
1 1 1 12  24  21 o 47.20927 4.546764  419.6793       82.23672 620.4155       
161.8734 349.8467       95.47547 53.83813 7.161543 40.58042 5.603977 13.25772 
9.093529 
1 1 1 12  24  22 o 77.30559 3.339190  1262.359       95.04256 1275.244       
186.6493 1257.849       110.4317 77.39491 5.744273 77.21627 3.406480 0.1786346 
6.678381 
1 1 1 12  24  23 o 34.89855 5.451389  344.2524       78.73624 61.40411       
155.5672 441.6588       91.29252 24.17869 9.805575 45.61841 4.766681 -21.43973 
10.90278 
1 1 1 12  24  24 o 93.60313 3.053784  1941.779       103.8987 1686.238       
199.7123 2036.607       121.6586 88.93921 5.348507 98.26704 2.948873 -9.327835 
6.107567 
1 1 1 12  24  25 o 88.19695 3.113117  1679.523       98.90542 1597.259       
197.5198 1707.052       114.2623 86.46346 5.441256 89.93043 3.026338 -3.466965 
6.226234 
1 1 1 12  24  26 o 49.50009 4.586545  514.7891       77.85037 554.2217       
171.3386 504.5304       87.39227 50.27477 8.117571 48.72541 4.272072 1.549358 
9.173089 
1 1 1 12  24  27 o 107.6891 3.002988  2382.830       114.3819 2630.105       
243.2665 2312.646       129.6018 110.7683 5.231037 104.6099 2.950931 6.158371 
6.005975 
1 1 1 12  24  28 o 99.55463 4.118097  2179.724       167.5551 1962.008       
260.7673 2332.819       218.6699 94.85912 6.547794 104.2501 4.996127 -9.391022 
8.236194 
1 1 1 12  24  29 o 31.85249 7.405831  236.7703       109.9673 202.6569       
205.2337 250.5083       130.2413 31.10825 11.64997 32.59674 9.146783 -1.488487 
14.81166 
1 1 1 12  24  30 o 24.76455 7.161869  68.22450       106.4648 156.4392       
205.8988 36.03181       124.3833 28.96866 11.45465 20.56044 8.600026 8.408224 
14.32374 
1 1 1 12  24  31 o 21.77915 6.657573  27.96502       106.4183 -72.12250      
207.8609 63.51807       123.8857 21.99630 10.03830 21.56201 8.747891 0.4342918 
13.31515 
1 1 1 12  24  32 o 27.40411 6.922310  120.2665       103.6887 317.5108       
177.9194 18.81972       127.5970 35.04465 10.92512 19.76358 8.503833 15.28107 
13.84462 
1 1 1 12  24  33 o 37.30268 7.414566  363.5251       113.7747 358.0378       
219.8760 365.5316       132.9588 35.95795 12.20129 38.64742 8.428027 -2.689465 
14.82913 
1 1 1 12  24  34 o 34.85266 7.259855  345.9302       115.2036 223.0562       
222.8733 390.7307       134.5766 29.94313 11.89297 39.76219 8.329427 -9.819059 
14.51971 
1 1 1 12  24  35 o 32.10762 7.780882  272.1753       115.7521 331.6438       
229.9543 251.9933       133.9613 33.34975 12.36285 30.86550 9.451371 2.484243 
15.56176 
1 1 1 12  24  36 o 44.50638 7.221344  563.4521       122.4456 504.9609       
239.1856 584.2247       142.5396 39.38866 12.71937 49.62410 6.841697 -10.23545 
14.44269 
1 1 1 12  24  37 o 41.57201 7.464826  485.7126       115.7852 583.0768       
243.6798 457.3205       131.5886 40.81253 12.79822 42.33150 7.687662 -1.518978 
14.92965 
1 1 1 12  24  38 o 41.41849 7.655080  529.3019       123.5813 627.1564       
245.5300 496.1009       143.0178 40.16819 12.87855 42.66879 8.279122 -2.500595 
15.31016 
1 1 1 12  25  0  o 52.32436 2.542469  577.3874       55.72060 590.6080       
82.03675 566.0648       75.91992 52.87048 3.695867 51.77824 3.492444 1.092232 
5.084938 
1 1 1 12  25  1  o 81.11491 2.107150  1393.899       62.93343 1370.903       
122.8748 1402.077       73.27375 80.58392 3.631914 81.64590 2.137643 -1.061989 
4.214299 
1 1 1 12  25  2  o 125.3174 2.268488  3178.740       90.31310 3513.967       
222.1770 3112.385       98.84819 128.9588 4.103640 121.6760 1.935018 7.282806 
4.536976 
1 1 1 12  25  3  o 23.68134 4.598784  105.7025       42.08958 167.1406       
86.04442 86.37764       48.25716 27.47184 7.324326 19.89085 5.563228 7.580992 
9.197568 
1 1 1 12  25  4  o 37.26851 4.066068  336.6521       52.69421 224.2738       
95.95885 385.1699       63.05135 31.78880 7.334124 42.74822 3.513156 -10.95942 
8.132136 
1 1 1 12  25  5  o 69.53951 2.840499  1036.232       74.20486 983.8941       
139.0537 1057.070       87.74261 68.21249 4.855564 70.86652 2.949107 -2.654022 
5.680997 
1 1 1 12  25  6  o 66.41479 3.240466  926.4945       78.87699 942.5428       
156.3522 921.0157       91.35396 66.69814 5.583561 66.13146 3.290337 0.5666733 
6.480931 
1 1 1 12  25  7  o 234.1614 5.252821  11498.47       421.5816 12039.78       
924.4979 11356.35       473.7010 236.5276 9.309905 231.7952 4.867668 4.732330 
10.50564 
1 1 1 12  25  8  o 76.59869 3.323247  1226.950       92.06595 1264.160       
186.7459 1215.002       105.8194 77.23782 5.758936 75.95955 3.318212 1.278275 
6.646493 
1 1 1 12  25  9  o 52.40255 4.728918  601.7558       93.65530 540.9193       
170.9258 627.8567       111.9576 50.29926 8.094072 54.50585 4.892509 -4.206589 
9.457836 
1 1 1 12  25  10 o 30.07456 5.980730  222.3037       91.22655 -55.03702      
180.7544 317.0930       105.6724 22.10531 9.793698 38.04380 6.867313 -15.93849 
11.96146 
1 1 1 12  25  11 o 26.00421 6.707393  123.2682       93.21559 50.00431       
172.1014 153.6843       110.8896 24.97596 10.25041 27.03247 8.653641 -2.056515 
13.41479 
1 1 1 12  25  12 o 68.59860 4.310624  985.6536       115.2754 1031.915       
207.6317 965.0403       138.5983 69.62067 7.103566 67.57655 4.885209 2.044121 
8.621248 
1 1 1 12  25  13 o 69.17198 4.191248  960.0648       110.2781 1144.142       
213.2628 892.8789       128.8408 73.33022 6.927126 65.01375 4.720295 8.316475 
8.382497 
1 1 1 12  25  14 o 174.3879 5.100228  6466.316       354.3781 6520.611       
605.9523 6438.093       436.8798 174.5392 8.269255 174.2365 5.972330 0.3027191 
10.20046 
1 1 1 12  25  15 o 103.4431 3.885853  2240.291       156.6555 2335.759       
282.0875 2197.718       188.3737 104.8550 6.407900 102.0312 4.397526 2.823799 
7.771706 
1 1 1 12  25  16 o 40.66624 7.082503  379.1486       109.5032 308.9950       
226.6700 400.5054       125.0654 37.96159 12.38836 43.37090 6.868469 -5.409306 
14.16501 
1 1 1 12  25  17 o 25.43675 7.154152  76.19183       106.7977 100.6841       
193.4253 65.45066       128.0928 27.99891 11.09244 22.87458 9.037993 5.124329 
14.30830 
1 1 1 12  25  18 o 75.07906 5.029671  1271.527       140.2297 1050.324       
256.4689 1365.858       167.4820 69.83111 8.747962 80.32700 4.966239 -10.49590 
10.05934 
1 1 1 12  25  19 o 94.18730 4.341996  1849.474       154.7266 1978.736       
294.9056 1800.376       181.7514 96.14108 7.306260 92.23353 4.693644 3.907555 
8.683992 
1 1 1 12  25  20 o 119.1400 4.880178  3008.471       244.1026 0.000000       
0.000000 3008.471       244.1026 ?        ?        119.1400 4.880178 ? ? 
1 1 1 12  25  21 o 66.61552 5.976660  947.6716       160.5817 1011.318       
270.6468 913.0928       199.4897 68.05164 9.472954 65.17940 7.290063 2.872246 
11.95332 
1 1 1 12  25  22 o 46.40208 5.616633  482.2719       104.3899 420.7853       
158.8801 528.9783       138.4738 43.14755 9.059110 49.65660 6.642198 -6.509048 
11.23327 
1 1 1 12  25  23 o 102.6449 3.311525  2238.772       120.2209 2237.121       
249.6842 2239.270       137.1679 102.2904 5.814031 102.9994 3.172040 
-0.7090454     6.623050 
1 1 1 12  25  24 o 101.9813 2.949598  2243.339       107.6670 2133.635       
217.0874 2279.126       123.9912 100.0166 5.169915 103.9460 2.841214 -3.929405 
5.899197 
1 1 1 12  25  25 o 57.04382 3.850230  595.7661       81.54907 931.0313       
171.0634 497.1656       92.76891 65.75834 6.196228 48.32929 4.572072 17.42905 
7.700460 
1 1 1 12  25  26 o 21.83179 5.624297  85.07209       73.87908 -114.9946      
154.3961 144.4837       84.13654 18.23219 8.452004 25.43138 7.422565 -7.199190 
11.24859 
1 1 1 12  25  27 o 23.42426 5.485349  116.7299       71.04367 -27.66278      
128.8172 179.8460       85.16694 18.73535 8.288386 28.11318 7.187410 -9.377831 
10.97070 
1 1 1 12  25  28 o 63.67747 4.387947  890.2125       113.2745 858.8829       
183.8049 909.3979       143.8351 62.43919 7.011660 64.91576 5.277589 -2.476574 
8.775894 
1 1 1 12  25  29 o 62.07361 4.425778  880.3664       107.1804 737.6942       
179.8877 958.8912       133.4552 57.44084 7.459363 66.70638 4.765287 -9.265537 
8.851557 
1 1 1 12  25  30 f 23.80411 6.904779  11.72285       97.37933 221.9539       
204.7357 -49.74248      110.7032 31.30237 11.65300 16.30585 7.410223 14.99652 
13.80956 
1 1 1 12  25  31 o 47.80035 6.564986  678.2343       117.4457 278.2799       
214.2032 850.1524       140.4370 33.33345 11.98069 62.26725 5.372086 -28.93379 
13.12997 
1 1 1 12  25  32 o 91.96620 4.372764  1912.091       155.7651 1842.143       
275.7151 1944.882       188.7774 89.54131 7.334293 94.39108 4.763653 -4.849770 
8.745527 
1 1 1 12  25  33 o 44.92735 6.921633  568.0648       118.4936 385.2357       
225.3526 637.9297       139.3059 36.76083 12.35231 53.09386 6.249515 -16.33303 
13.84327 
1 1 1 12  25  34 o 17.41468 5.837707  -120.4400      111.9585 -356.0173      
222.3484 -40.42464      129.5848 17.31556 8.527599 17.51379 7.974668 
-0.1982288     11.67541 
1 1 1 12  25  35 o 39.68701 7.026362  477.8970       120.2686 280.7560       
233.3769 549.1854       140.3391 31.10421 12.22794 48.26981 6.925071 -17.16561 
14.05272 
1 1 1 12  25  36 o 25.17705 7.162104  154.7070       116.8563 41.92815       
230.0645 193.9194       135.6588 23.49759 10.67961 26.85650 9.546147 -3.358908 
14.32421 
1 1 1 12  25  37 f 35.56676 7.349074  348.4684       106.3724 507.4317       
206.7026 291.2054       124.0608 38.95047 11.70317 32.18304 8.892213 6.767422 
14.69815 
1 1 1 12  25  38 o 26.75727 7.697955  163.8608       118.8648 470.6340       
246.1464 70.56704       135.7410 33.45392 12.70019 20.06062 8.702826 13.39330 
15.39591 
1 1 1 12  26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  26  1  o 82.66313 2.119314  1459.739       67.92659 1392.647       
120.7782 1490.778       82.15006 81.17693 3.543863 84.14934 2.325296 -2.972412 
4.238627 
1 1 1 12  26  2  o 85.22430 2.174637  1566.386       73.30474 1424.312       
123.8199 1643.054       90.95807 82.10925 3.591860 88.33936 2.452495 -6.230118 
4.349274 
1 1 1 12  26  3  o 118.3456 2.414604  2819.783       87.50019 3158.773       
226.0007 2760.008       94.90163 122.1281 4.407733 114.5631 1.973104 7.564972 
4.829208 
1 1 1 12  26  4  o 52.33413 2.724311  579.0054       54.60483 577.3831       
100.3439 579.6879       65.08553 52.21492 4.577385 52.45334 2.955509 
-0.2384186     5.448623 
1 1 1 12  26  5  o 108.6337 2.366937  2382.401       90.61195 2685.440       
194.9821 2298.929       102.3334 112.7294 4.119823 104.5380 2.331656 8.191460 
4.733874 
1 1 1 12  26  6  o 124.2042 2.447245  3185.693       103.7558 3368.944       
229.9137 3138.828       116.2684 126.2438 4.337864 122.1646 2.266927 4.079224 
4.894489 
1 1 1 12  26  7  o 130.1175 2.447108  3575.339       122.6726 3553.040       
222.9971 3585.016       146.8968 129.7167 4.094722 130.5184 2.680784 
-0.8016815     4.894216 
1 1 1 12  26  8  o 35.74907 4.441920  254.2355       59.10926 331.7065       
115.0443 226.4489       68.89893 38.79282 7.331035 32.70531 5.017822 6.087505 
8.883840 
1 1 1 12  26  9  f 103.5796 3.425714  2312.185       143.5711 2096.473       
230.4507 2449.019       183.5430 99.43869 5.520060 107.7206 4.058450 -8.281898 
6.851429 
1 1 1 12  26  10 o 26.95615 6.102827  153.7847       88.25608 -22.55284      
156.7693 235.6027       106.7857 21.37707 9.314218 32.53522 7.888176 -11.15815 
12.20565 
1 1 1 12  26  11 o 106.7637 4.247968  2541.146       172.8577 2114.440       
303.8965 2745.231       210.1683 99.52185 7.273247 114.0055 4.390990 -14.48364 
8.495935 
1 1 1 12  26  12 o 80.12436 4.180739  1393.391       133.9713 1254.969       
220.2730 1474.656       168.7764 76.74483 6.836490 83.50388 4.814222 -6.759056 
8.361479 
1 1 1 12  26  13 o 142.9432 5.130831  4469.238       283.0948 4080.554       
500.2411 4652.369       343.3690 137.7502 8.649845 148.1362 5.521040 -10.38606 
10.26166 
1 1 1 12  26  14 f 93.91057 4.154329  1877.013       153.5355 1859.908       
267.9785 1885.371       187.3304 93.40226 6.833821 94.41888 4.725747 -1.016617 
8.308658 
1 1 1 12  26  15 o 153.4034 5.128985  5037.761       292.2272 5012.436       
563.1866 5047.092       341.8477 152.4917 8.796851 154.3151 5.276493 -1.823425 
10.25797 
1 1 1 12  26  16 f 37.27905 6.399548  344.0869       102.5668 150.6172       
182.4919 433.4193       124.0057 29.46966 10.99560 45.08843 6.550848 -15.61877 
12.79910 
1 1 1 12  26  17 o 123.0499 4.939942  3266.462       226.2977 3174.906       
431.8423 3301.121       265.7010 121.3138 8.478830 124.7860 5.071642 -3.472130 
9.879885 
1 1 1 12  26  18 o 76.08186 4.654907  1214.408       134.5756 1289.936       
254.0974 1184.963       158.6540 77.42304 7.817196 74.74068 5.056093 2.682358 
9.309814 
1 1 1 12  26  19 o 70.56464 5.256842  1166.697       136.8315 847.1017       
241.8759 1317.114       165.9359 62.35620 9.239193 78.77307 5.017457 -16.41687 
10.51368 
1 1 1 12  26  20 o 139.7137 4.913830  4121.943       248.8467 4335.685       
504.1554 4053.094       286.1313 141.2808 8.499676 138.1466 4.933398 3.134155 
9.827660 
1 1 1 12  26  21 o 95.50098 4.259212  1879.158       155.6121 2127.060       
294.6266 1783.249       183.2584 99.37540 7.061779 91.62655 4.763910 7.748856 
8.518425 
1 1 1 12  26  22 o 122.8357 7.918918  3279.346       408.3846 0.000000       
0.000000 3279.346       408.3846 ?        ?        122.8357 7.918918 ? ? 
1 1 1 12  26  23 o 37.90503 7.260877  279.4648       113.0530 502.4526       
210.3587 188.9017       134.0589 46.38591 10.96202 29.42415 9.524464 16.96176 
14.52175 
1 1 1 12  26  24 o 79.12643 3.885649  1352.345       127.8965 1178.254       
184.2960 1514.076       177.6338 74.04263 5.928640 84.21024 5.024372 -10.16761 
7.771299 
1 1 1 12  26  25 f 112.2028 2.909986  2648.196       119.5436 2735.302       
237.9525 2618.789       138.2575 113.0807 5.012138 111.3249 2.958131 1.755730 
5.819972 
1 1 1 12  26  26 o 17.82627 5.436304  -8.214885      69.37263 36.74291       
123.5447 -28.91792      83.83761 20.82886 8.632415 14.82368 6.610220 6.005184 
10.87261 
1 1 1 12  26  27 o 27.78463 6.943126  105.7783       80.98962 301.0208       
199.1384 67.08398       88.65260 35.54850 11.61166 20.02076 7.615595 15.52774 
13.88625 
1 1 1 12  26  28 o 34.36326 7.092720  296.2089       107.5932 206.7678       
199.5956 332.8445       127.7420 30.99143 11.51205 37.73509 8.288509 -6.743664 
14.18544 
1 1 1 12  26  29 o 67.19695 5.359683  1099.617       133.3992 803.3729       
231.5946 1246.707       163.1900 58.60419 9.412841 75.78970 5.128666 -17.18550 
10.71937 
1 1 1 12  26  30 o 91.70060 4.709656  1944.031       162.2747 1718.350       
294.4567 2042.469       194.4714 86.37701 8.119781 97.02419 4.774157 -10.64719 
9.419312 
1 1 1 12  26  31 o 42.95206 7.026926  433.5963       114.6789 548.8608       
217.0890 388.9809       135.0618 45.65878 11.35772 40.24535 8.277256 5.413433 
14.05385 
1 1 1 12  26  32 o 47.72920 6.831236  582.9141       119.8765 536.1264       
227.8200 600.8286       140.9702 43.98956 12.00427 51.46884 6.523852 -7.479279 
13.66247 
1 1 1 12  26  33 o 18.99641 6.204167  -51.69157      109.8118 -207.3956      
218.0960 1.187101       127.0978 19.22749 9.245189 18.76533 8.276065 0.4621601 
12.40833 
1 1 1 12  26  34 o 28.46187 7.312219  216.9333       116.2939 88.67656       
227.4353 262.3381       135.3220 25.41425 11.14455 31.50950 9.469593 -6.095257 
14.62444 
1 1 1 12  26  35 o 27.41380 7.657747  171.0283       116.9605 282.3587       
229.6330 132.0293       135.9109 30.82959 12.12645 23.99800 9.354874 6.831587 
15.31549 
1 1 1 12  26  36 o 75.09791 5.421062  1422.734       153.3339 1335.694       
276.5333 1461.376       184.2528 70.53625 9.338050 79.65957 5.509310 -9.123322 
10.84212 
1 1 1 12  26  37 o 26.33245 7.387972  216.2326       120.8427 157.4599       
241.6579 235.8295       139.5425 24.83336 11.14411 27.83154 9.702438 -2.998182 
14.77594 
1 1 1 12  27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  27  2  o 106.6782 2.197454  2373.538       88.05877 2468.608       
168.8686 2338.031       103.2011 107.9930 3.724556 105.3635 2.333002 2.629440 
4.394908 
1 1 1 12  27  3  o 42.00082 3.182507  393.1222       51.41147 324.5468       
88.72926 427.7806       63.07928 38.99974 5.419088 45.00189 3.338697 -6.002148 
6.365015 
1 1 1 12  27  4  o 64.32909 2.593816  881.6625       65.11858 856.2075       
114.9240 893.7000       79.02959 63.55363 4.307166 65.10456 2.891341 -1.550930 
5.187633 
1 1 1 12  27  5  o 46.17253 3.347342  463.7711       56.83868 428.7719       
109.2187 476.7706       66.56243 44.81950 5.804315 47.52556 3.335977 -2.706062 
6.694685 
1 1 1 12  27  6  o 28.56046 4.698930  202.8204       51.60011 113.0453       
103.8167 232.2749       59.46544 23.99932 8.368543 33.12160 4.276361 -9.122286 
9.397860 
1 1 1 12  27  7  o 80.46078 2.650194  1347.699       77.49725 1407.489       
156.5772 1328.300       89.18764 81.50194 4.575953 79.41964 2.674840 2.082298 
5.300389 
1 1 1 12  27  8  o 76.37302 2.667799  1257.810       76.88493 1171.882       
142.2707 1293.256       91.37740 74.38533 4.555637 78.36069 2.777548 -3.975365 
5.335598 
1 1 1 12  27  9  o 110.8019 5.335877  2607.737       248.2173 0.000000       
0.000000 2607.737       248.2173 ?        ?        110.8019 5.335877 ? ? 
1 1 1 12  27  10 o 168.1073 4.484707  6012.084       303.3206 6091.313       
508.4791 5968.317       377.9252 168.5804 7.184343 167.6341 5.369879 0.9462738 
8.969414 
1 1 1 12  27  11 o 137.6416 4.638402  4071.684       257.9302 3947.482       
423.3824 4144.985       325.2560 135.6274 7.435437 139.6557 5.547376 -4.028351 
9.276805 
1 1 1 12  27  12 o 168.7564 5.116426  6130.008       358.9071 5902.735       
541.1232 6308.521       479.5746 165.6799 7.779423 171.8329 6.647695 -6.152954 
10.23285 
1 1 1 12  27  13 o 60.69221 4.382124  744.8179       106.8643 926.6583       
186.5698 656.0294       130.3691 65.83327 6.750205 55.55117 5.589881 10.28210 
8.764248 
1 1 1 12  27  14 o 71.00543 4.202867  1073.500       119.7025 1075.119       
201.4537 1072.616       148.8241 70.89455 6.768361 71.11633 4.984539 
-0.2217789     8.405733 
1 1 1 12  27  15 o 19.83008 6.079757  -38.11970      100.0259 -169.3667      
156.4207 52.67881       130.1035 17.34749 8.175577 22.31268 9.000763 -4.965183 
12.15951 
1 1 1 12  27  16 o 84.03600 3.932905  1501.626       130.3626 1506.506       
227.2010 1499.232       159.1706 83.94141 6.446961 84.13058 4.506402 
-0.1891708     7.865809 
1 1 1 12  27  17 f 117.4509 3.858807  2958.375       183.5106 2848.498       
299.1801 3024.649       232.3538 115.4640 6.171732 119.4378 4.633710 -3.973801 
7.717613 
1 1 1 12  27  18 o 42.68013 6.379335  410.8802       105.9534 387.2439       
186.7752 422.0956       128.6581 41.04007 10.72260 44.32018 6.914437 -3.280106 
12.75867 
1 1 1 12  27  19 o 60.42144 4.948090  832.8068       113.9973 661.4918       
196.6104 919.5674       139.9169 55.09920 8.499284 65.74368 5.069175 -10.64448 
9.896179 
1 1 1 12  27  20 o 76.38589 4.384066  1260.581       133.5485 1219.306       
225.2955 1282.941       165.8223 75.15298 7.140479 77.61880 5.088586 -2.465820 
8.768132 
1 1 1 12  27  21 o 56.79728 5.044583  696.9658       111.3769 699.5234       
199.0872 695.8006       134.3717 56.55423 8.384929 57.04032 5.611084 
-0.4860916     10.08917 
1 1 1 12  27  22 o 53.19540 5.468271  590.0466       111.3496 683.9443       
211.2513 553.9227       131.0294 55.63541 9.044178 50.75538 6.149047 4.880024 
10.93654 
1 1 1 12  27  23 f 22.44118 6.882163  -5.514245      115.9973 24.68319       
191.1721 -23.11032      145.9309 24.61966 10.49476 20.26270 8.905995 4.356953 
13.76433 
1 1 1 12  27  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  27  25 o 21.85958 6.678735  13.83017       106.0076 -44.26801      
196.7665 37.58923       125.8301 22.71503 10.12804 21.00413 8.708890 1.710909 
13.35747 
1 1 1 12  27  26 o 31.37923 6.193134  219.1170       75.72250 242.5530       
156.5161 211.9552       86.52235 32.25770 10.27637 30.50077 6.914907 1.756929 
12.38627 
1 1 1 12  27  27 o 69.78363 4.817193  1134.770       125.7430 927.6469       
224.7641 1229.126       151.7045 64.01110 8.363590 75.55616 4.782441 -11.54506 
9.634385 
1 1 1 12  27  28 o 30.89157 7.444883  204.1988       105.7614 284.2577       
203.8853 174.7260       123.7064 34.15715 11.74509 27.62600 9.151936 6.531157 
14.88977 
1 1 1 12  27  29 o 78.64552 4.336108  1348.909       133.9198 1424.795       
237.3676 1313.475       162.1998 79.55431 7.106878 77.73674 4.969872 1.817566 
8.672216 
1 1 1 12  27  30 o 27.37572 6.551615  170.5729       109.9245 -133.9404      
208.5037 287.7919       129.3629 20.49489 9.606338 34.25655 8.911391 -13.76166 
13.10323 
1 1 1 12  27  31 o 73.32584 4.320001  1243.384       124.4623 1075.500       
207.5614 1337.642       155.5255 68.40376 7.227493 78.24792 4.734236 -9.844162 
8.640002 
1 1 1 12  27  32 o 47.37217 6.936205  601.5031       120.8034 497.4671       
230.4926 640.9038       141.8461 41.63706 12.32763 53.10728 6.361865 -11.47022 
13.87241 
1 1 1 12  27  33 o 29.62554 7.628352  224.3066       115.4585 239.7253       
219.9140 218.4393       135.6593 30.20018 11.87081 29.05091 9.583887 1.149265 
15.25670 
1 1 1 12  27  34 o 18.40351 6.192784  -88.99737      104.0401 -53.73494      
227.1927 -98.35438      117.0325 21.90184 10.19136 14.90517 7.038357 6.996670 
12.38557 
1 1 1 12  27  35 o 38.16685 7.685853  439.7820       124.4926 403.9652       
245.6284 452.1630       144.4156 34.58065 12.78562 41.75306 8.533312 -7.172405 
15.37171 
1 1 1 12  27  36 o 43.73242 7.472126  570.1578       126.6085 587.9063       
249.4809 564.0012       146.9357 40.01979 12.99677 47.44505 7.376621 -7.425262 
14.94425 
1 1 1 12  27  37 o 23.18453 7.185587  93.97346       111.2393 281.7111       
240.1384 42.68210       125.5186 27.60979 11.76560 18.75926 8.252351 8.850529 
14.37117 
1 1 1 12  28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  28  2  o 111.7626 2.655406  2606.141       82.87891 2708.155       
234.3304 2591.555       88.60595 112.5630 4.958542 110.9622 1.901993 1.600815 
5.310812 
1 1 1 12  28  3  o 49.51425 2.872212  515.4980       54.47929 532.6709       
100.8909 508.4298       64.72710 49.97985 4.808153 49.04866 3.143259 0.9311943 
5.744424 
1 1 1 12  28  4  o 19.05034 4.572733  29.58191       47.03225 151.9103       
84.54992 -25.23137      56.59689 26.08318 7.386128 12.01750 5.393021 14.06569 
9.145467 
1 1 1 12  28  5  o 63.08161 2.885228  913.3042       68.19035 674.0604       
118.6186 1031.395       83.33738 56.23838 5.023900 69.92484 2.838765 -13.68645 
5.770456 
1 1 1 12  28  6  o 74.04401 2.736734  1177.544       79.68666 1111.583       
137.5398 1210.874       97.76742 72.34396 4.528425 75.74406 3.074445 -3.400101 
5.473467 
1 1 1 12  28  7  o 27.71803 5.004293  179.7216       57.24475 133.7689       
99.94765 202.1549       69.83350 25.14737 8.226274 30.28869 5.700894 -5.141329 
10.00859 
1 1 1 12  28  8  o 109.1721 2.430109  2489.706       100.7603 2583.781       
189.6558 2452.711       118.9338 110.4500 4.089981 107.8942 2.625599 2.555824 
4.860218 
1 1 1 12  28  9  o 30.39520 9.430560  203.6868       132.7820 0.000000       
0.000000 203.6868       132.7820 ?        ?        30.39520 9.430560 ? ? 
1 1 1 12  28  10 o 37.26261 5.982074  289.4476       90.82201 448.1855       
149.7867 197.1566       114.2123 44.78009 8.278793 29.74514 8.637269 15.03495 
11.96415 
1 1 1 12  28  11 o 32.44349 6.518988  223.4981       88.80843 285.0904       
155.2906 193.5642       108.2589 35.44203 10.00151 29.44496 8.364127 5.997070 
13.03798 
1 1 1 12  28  12 o 29.91375 6.717673  166.8467       92.87447 292.2892       
161.6609 105.0471       113.4686 35.87531 10.23062 23.95219 8.708782 11.92312 
13.43535 
1 1 1 12  28  13 o 96.42416 4.100208  2014.865       163.0553 1777.154       
245.2841 2203.089       218.2639 91.07050 6.415239 101.7778 5.107986 -10.70733 
8.200416 
1 1 1 12  28  14 o 38.21545 6.790816  345.0329       106.2227 275.0096       
183.5080 380.3175       130.2646 35.12550 11.12089 41.30539 7.796571 -6.179897 
13.58163 
1 1 1 12  28  15 o 24.90721 6.568145  109.6795       90.56989 68.40041       
156.1455 130.6091       111.1845 24.46000 9.863186 25.35442 8.676388 
-0.8944149     13.13629 
1 1 1 12  28  16 o 127.8975 3.777274  3458.115       194.0298 3583.946       
328.3395 3390.594       240.5189 129.4003 6.043787 126.3948 4.532532 3.005424 
7.554549 
1 1 1 12  28  17 o 109.4182 4.164592  2484.547       177.8248 2772.031       
323.9672 2360.583       212.7371 113.4669 6.800690 105.3695 4.808941 8.097404 
8.329184 
1 1 1 12  28  18 o 98.60761 4.237444  2079.460       166.5903 2096.240       
284.2932 2070.685       205.5846 98.59591 6.867974 98.61932 4.965348 
-0.2340698E-01 8.474889 
1 1 1 12  28  19 o 38.01675 6.304703  374.5963       101.3654 151.7397       
183.5146 472.4414       121.5983 29.13400 10.99358 46.89951 6.175617 -17.76551 
12.60941 
1 1 1 12  28  20 o 46.97666 6.230153  546.7067       109.0243 362.7305       
189.2474 638.0963       133.3820 39.41204 11.01495 54.54129 5.824959 -15.12925 
12.46031 
1 1 1 12  28  21 o 24.31353 7.025846  67.57904       110.8725 -40.95385      
209.2645 109.9349       130.7290 23.76992 10.53366 24.85714 9.300108 -1.087217 
14.05169 
1 1 1 12  28  22 o 37.73224 7.194133  304.2671       106.2246 407.4693       
207.1606 267.4530       123.7285 41.35259 11.51379 34.11188 8.628716 7.240711 
14.38827 
1 1 1 12  28  23 o 101.4424 4.604117  2220.618       181.1535 2273.558       
326.5709 2197.087       217.7219 101.6616 7.651415 101.2231 5.123225 0.4384232 
9.208235 
1 1 1 12  28  24 o 99.68322 3.994962  2034.807       151.1822 2414.603       
292.5510 1896.426       176.5893 105.1694 6.625723 94.19707 4.465274 10.97231 
7.989924 
1 1 1 12  28  25 o 27.92240 7.244536  162.0391       108.6828 90.82425       
201.9926 191.0564       128.9375 26.87098 11.07944 28.97381 9.336981 -2.102829 
14.48907 
1 1 1 12  28  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  28  27 o 35.92094 8.139200  261.6174       120.3059 477.4315       
258.3577 201.8647       135.9441 42.45992 13.15076 29.38195 9.593941 13.07798 
16.27840 
1 1 1 12  28  28 o 83.75470 4.177138  1525.173       132.7659 1594.478       
249.1944 1497.703       156.8867 84.22714 7.047049 83.28225 4.486985 0.9448929 
8.354276 
1 1 1 12  28  29 o 35.90638 6.721307  329.2284       102.0633 274.0071       
170.6255 359.9959       127.3614 32.94077 10.74828 38.87199 8.073313 -5.931225 
13.44261 
1 1 1 12  28  30 f 39.44854 6.882359  418.8236       110.1989 303.1764       
212.7286 461.2401       128.8325 33.84148 11.96163 45.05560 6.810794 -11.21412 
13.76472 
1 1 1 12  28  31 o 54.90691 6.080719  718.6675       123.9125 759.0084       
227.8295 701.7217       147.6623 54.15855 10.39058 55.65528 6.319524 -1.496731 
12.16144 
1 1 1 12  28  32 o 25.59979 7.375250  122.6094       111.6709 173.9778       
222.5586 105.3253       129.0982 28.14881 11.62128 23.05078 9.084218 5.098030 
14.75050 
1 1 1 12  28  33 o 24.55125 6.998313  128.0386       104.7060 60.25977       
218.7292 148.1877       119.2581 24.31273 10.77235 24.78978 8.936551 
-0.4770527     13.99663 
1 1 1 12  28  34 o 24.73225 6.892915  137.8986       98.30246 161.0417       
184.4245 128.7138       116.1829 26.07816 10.64153 23.38635 8.763959 2.691811 
13.78583 
1 1 1 12  28  35 o 46.83027 7.242151  572.5581       125.8459 770.4841       
245.5785 502.0728       146.5507 49.66875 11.91239 43.99179 8.239538 5.676964 
14.48430 
1 1 1 12  28  36 o 21.91835 6.665432  93.33083       117.9914 -123.2534      
237.8993 163.9892       135.8819 19.60973 9.479987 24.22697 9.372396 -4.617243 
13.33086 
1 1 1 12  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  29  2  o 32.42815 6.811527  238.2701       89.78896 0.000000       
0.000000 238.2701       89.78896 ?        ?        32.42815 6.811527 ? ? 
1 1 1 12  29  3  o 81.83311 3.038658  1502.869       95.13942 1231.656       
165.1822 1637.504       116.3823 75.72108 5.195981 87.94516 3.152071 -12.22408 
6.077316 
1 1 1 12  29  4  o 49.34264 2.901661  531.5302       56.59845 474.9060       
95.07880 562.6081       70.43823 47.13240 4.804910 51.55288 3.254442 -4.420486 
5.803323 
1 1 1 12  29  5  o 25.97875 4.974434  142.9030       52.74781 181.6389       
93.84369 125.0128       63.77580 28.31799 7.694153 23.63951 6.307139 4.678480 
9.948869 
1 1 1 12  29  6  o 55.43100 2.849853  633.9053       62.84017 709.7376       
110.3934 597.5541       76.43185 57.72715 4.554955 53.13485 3.426226 4.592293 
5.699706 
1 1 1 12  29  7  o 78.56764 2.673336  1321.032       81.50858 1273.903       
145.0202 1342.795       98.54705 77.38651 4.463590 79.74878 2.943341 -2.362274 
5.346671 
1 1 1 12  29  8  o 39.79961 4.211711  349.6438       63.19738 331.7090       
111.3891 358.1574       76.74503 38.55491 7.149745 41.04432 4.453672 -2.489414 
8.423423 
1 1 1 12  29  9  o 50.42965 6.041024  546.0353       127.9014 0.000000       
0.000000 546.0353       127.9014 ?        ?        50.42965 6.041024 ? ? 
1 1 1 12  29  10 o 98.53022 4.017869  1950.706       143.6256 2339.021       
299.5330 1834.769       163.6679 104.0698 6.855529 92.99064 4.192232 11.07916 
8.035738 
1 1 1 12  29  11 o 74.04944 4.024802  1147.348       117.3164 1249.441       
209.1537 1100.483       141.7075 76.17120 6.540273 71.92767 4.692648 4.243523 
8.049603 
1 1 1 12  29  12 f 39.98252 6.045270  349.8636       94.66779 407.8727       
161.8380 319.6901       116.7201 42.21815 9.377208 37.74689 7.632114 4.471268 
12.09054 
1 1 1 12  29  13 o 64.98149 4.471417  898.6030       114.9725 935.1563       
200.7202 880.7536       140.2624 65.70828 7.275989 64.25471 5.199450 1.453575 
8.942835 
1 1 1 12  29  14 o 127.7219 5.243315  3520.289       280.2658 3314.979       
378.3626 3769.895       417.1868 123.6882 7.286196 131.7556 7.541934 -8.067322 
10.48663 
1 1 1 12  29  15 o 102.7975 4.291483  2261.091       171.7132 2288.928       
307.1773 2248.438       207.0916 102.8285 7.115358 102.7665 4.799896 
0.6198883E-01  8.582967 
1 1 1 12  29  16 o 50.46848 5.386444  508.0778       107.5632 700.6447       
196.4743 425.6591       128.5369 56.56675 8.273048 44.37021 6.900130 12.19654 
10.77289 
1 1 1 12  29  17 o 99.56590 3.860905  2128.592       150.4271 2100.972       
264.8610 2141.743       182.7646 98.73676 6.389401 100.3951 4.336116 -1.658295 
7.721810 
1 1 1 12  29  18 o 49.53322 5.824151  486.2872       111.3696 729.7770       
207.8594 388.2409       131.9000 57.53105 8.605743 41.53539 7.850102 15.99566 
11.64830 
1 1 1 12  29  19 o 39.20195 6.783783  257.8885       102.0824 620.9122       
215.2048 152.4898       115.9583 51.72737 10.27458 26.67653 8.860697 25.05085 
13.56757 
1 1 1 12  29  20 o 63.62374 5.330858  898.4738       127.3436 857.0676       
237.5532 915.1705       150.8493 61.96618 9.131188 65.28130 5.503962 -3.315128 
10.66172 
1 1 1 12  29  21 o 55.39776 6.117225  740.5738       117.0697 593.3676       
224.2318 795.7354       137.2625 49.93991 10.99175 60.85561 5.372451 -10.91569 
12.23445 
1 1 1 12  29  22 o 23.55001 6.986063  51.67186       103.4782 32.41838       
212.0377 57.69077       118.5543 25.67133 11.00124 21.42868 8.613545 4.242651 
13.97213 
1 1 1 12  29  23 o 21.01121 6.534249  -10.20419      106.1351 -25.63764      
184.8761 -2.617165      129.6238 22.42341 9.923476 19.59900 8.503544 2.824406 
13.06850 
1 1 1 12  29  24 o 41.76606 6.723512  454.1457       114.1567 270.5306       
201.9742 540.3369       138.3799 33.95515 11.68853 49.57697 6.648355 -15.62181 
13.44702 
1 1 1 12  29  25 o 51.63702 6.020492  594.8589       118.0003 670.0549       
214.2223 562.1053       141.3827 52.83741 10.02023 50.43663 6.676842 2.400776 
12.04098 
1 1 1 12  29  26 f 48.31665 6.795282  512.4954       119.2750 659.7820       
241.7645 465.1139       137.1246 51.05885 11.54742 45.57446 7.166626 5.484383 
13.59056 
1 1 1 12  29  27 o 57.01576 6.457240  777.9680       124.5868 755.1021       
256.4775 785.0299       142.5329 54.25326 11.59869 59.77826 5.679276 -5.525002 
12.91448 
1 1 1 12  29  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  29  29 o 23.46970 6.998028  74.23512       111.3277 -61.03000      
238.3447 111.9810       125.9062 23.26493 10.67207 23.67446 9.055192 
-0.4095306     13.99606 
1 1 1 12  29  30 o 49.19256 6.767120  640.7411       119.3957 524.5499       
228.4115 684.4252       140.0531 43.22300 12.10801 55.16212 6.047455 -11.93913 
13.53424 
1 1 1 12  29  31 o 48.64445 6.513253  596.9656       108.5742 583.2004       
225.1946 601.1345       123.9295 45.56645 11.70977 51.72245 5.707113 -6.155998 
13.02651 
1 1 1 12  29  32 o 24.93073 7.283473  118.2941       113.9022 137.0261       
219.4974 111.3910       133.2469 26.57036 11.28335 23.29109 9.213136 3.279276 
14.56695 
1 1 1 12  29  33 o 22.17480 6.841331  60.53788       111.8684 8.268772       
221.5477 78.42532       129.6041 22.88429 10.42197 21.46532 8.865536 1.418962 
13.68266 
1 1 1 12  29  34 o 45.86868 7.472894  601.3858       136.8050 600.8004       
240.2722 601.6667       166.4137 42.86221 12.55405 48.87515 8.110023 -6.012939 
14.94579 
1 1 1 12  29  35 o 26.66533 7.279611  215.8237       117.4762 125.8037       
232.2990 246.7566       136.1723 24.42375 10.94407 28.90691 9.601992 -4.483162 
14.55922 
1 1 1 12  29  36 o 24.00802 6.995233  123.4812       105.4743 302.7650       
196.5906 51.01463       124.9860 29.00159 11.26218 19.01446 8.300389 9.987122 
13.99047 
1 1 1 12  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  30  3  o 14.61961 4.618865  -20.82481      51.85479 -15.31385      
99.09634 -22.90280      60.85080 16.68303 7.335787 12.55618 5.614434 4.126846 
9.237729 
1 1 1 12  30  4  o 30.84101 5.379529  205.4492       64.72365 258.8786       
119.3890 183.2104       77.02459 33.29005 8.509122 28.39196 6.584235 4.898094 
10.75906 
1 1 1 12  30  5  o 57.13543 3.541878  696.2248       76.60046 713.8677       
144.1986 689.2890       90.41209 57.35172 5.988742 56.91915 3.783461 0.4325676 
7.083757 
1 1 1 12  30  6  o 80.37098 2.571123  1397.844       80.42022 1300.330       
140.8984 1444.961       97.94063 78.06705 4.298921 82.67491 2.821696 -4.607864 
5.142246 
1 1 1 12  30  7  o 22.64381 5.189956  111.6917       56.25996 84.96999       
93.27381 126.9729       70.53543 21.47967 7.887404 23.80795 6.747697 -2.328272 
10.37991 
1 1 1 12  30  8  o 51.52090 3.553182  626.4806       67.72437 427.0301       
116.5527 728.1482       83.21390 44.41353 6.250690 58.62828 3.380724 -14.21476 
7.106365 
1 1 1 12  30  9  o 76.21143 4.797507  1240.850       153.5022 0.000000       
0.000000 1240.850       153.5022 ?        ?        76.21143 4.797507 ? ? 
1 1 1 12  30  10 o 27.75275 6.430964  170.8723       84.76778 123.9725       
152.7755 191.7331       101.8906 26.44626 10.01558 29.05923 8.069529 -2.612968 
12.86193 
1 1 1 12  30  11 o 56.04767 4.321547  676.2082       93.26629 680.7511       
169.7143 674.2426       111.6344 55.88190 7.233831 56.21344 4.730196 
-0.3315392     8.643094 
1 1 1 12  30  12 o 98.93416 3.574476  2111.669       143.5554 2015.333       
231.9121 2171.511       182.7835 96.84129 5.704058 101.0270 4.309435 -4.185753 
7.148951 
1 1 1 12  30  13 o 78.82982 4.034132  1420.819       119.3699 1127.090       
211.4469 1558.223       144.6196 72.00499 6.994551 85.65466 4.021584 -13.64967 
8.068264 
1 1 1 12  30  14 o 76.14594 4.157607  1220.324       126.2100 1336.368       
219.5096 1163.018       154.2572 78.52480 6.658367 73.76707 4.980855 4.757721 
8.315213 
1 1 1 12  30  15 o 90.73532 3.935186  1718.165       141.9993 1923.646       
249.3988 1619.600       172.7309 94.35086 6.296071 87.11979 4.722526 7.231071 
7.870372 
1 1 1 12  30  16 o 93.79315 3.932616  1880.342       149.0683 1926.289       
247.8837 1854.312       186.5743 94.40107 6.254493 93.18523 4.768984 1.215843 
7.865233 
1 1 1 12  30  17 o 57.38431 4.799829  655.4244       104.9836 867.7811       
205.6721 580.5988       122.0864 62.81262 7.799193 51.95600 5.596967 10.85662 
9.599659 
1 1 1 12  30  18 o 76.67464 4.272520  1283.688       127.0598 1236.077       
225.5334 1305.825       153.7879 75.17858 7.145586 78.17069 4.685968 -2.992111 
8.545039 
1 1 1 12  30  19 o 105.3196 3.980215  2368.648       163.3146 2456.420       
293.2636 2329.191       196.6252 106.2070 6.576975 104.4322 4.484623 1.774811 
7.960430 
1 1 1 12  30  20 f 122.2604 4.818187  3305.821       229.8068 3170.876       
402.5210 3371.076       279.9086 119.4183 8.028580 125.1024 5.329316 -5.684151 
9.636374 
1 1 1 12  30  21 o 15.69053 5.363181  -176.8285      97.06396 -254.7267      
180.9030 -145.3362      115.0228 17.14429 8.284424 14.23677 6.813453 2.907518 
10.72636 
1 1 1 12  30  22 o 22.52882 6.411931  55.21311       100.7901 -140.2883      
185.9864 136.5002       119.9270 19.57133 9.150937 25.48630 8.983974 -5.914961 
12.82386 
1 1 1 12  30  23 o 25.37854 7.062592  101.5624       102.5117 146.1931       
188.2166 82.73950       122.2319 28.13819 11.00059 22.61890 8.860469 5.519289 
14.12518 
1 1 1 12  30  24 o 43.36651 6.678612  471.8759       112.0618 374.5322       
202.5190 514.8343       134.5351 38.51881 11.58628 48.21421 6.646327 -9.695396 
13.35722 
1 1 1 12  30  25 o 25.10413 7.006260  91.75655       122.1624 -181.5627      
231.4414 197.3148       143.8308 21.11190 9.948223 29.09637 9.868312 -7.984465 
14.01252 
1 1 1 12  30  26 o 77.53757 4.855802  1316.646       136.4233 1420.067       
276.0842 1283.236       156.9195 78.23234 8.405748 76.84280 4.864013 1.389542 
9.711603 
1 1 1 12  30  27 o 24.15572 7.192467  4.667204       108.2354 235.3293       
228.5265 -62.03785      122.8932 31.55690 12.16560 16.75454 7.676238 14.80236 
14.38493 
1 1 1 12  30  28 o 43.24232 7.301520  429.0605       115.3260 604.1036       
239.5739 376.2640       131.5738 47.01722 12.07503 39.46743 8.212329 7.549789 
14.60304 
1 1 1 12  30  29 o 50.35234 6.954972  574.2007       121.3535 778.5483       
264.1797 519.5489       136.6209 53.08915 12.11527 47.61554 6.834228 5.473614 
13.90994 
1 1 1 12  30  30 o 20.99937 10.01513  -168.7503      243.0909 -168.7503      
243.0909 0.000000       0.000000 20.99937 10.01513 ?        ?        ? ? 
1 1 1 12  30  31 o 57.02884 7.248462  849.5311       140.6428 859.0281       
290.3452 846.6196       160.7627 53.34401 13.05309 60.71366 6.306958 -7.369644 
14.49692 
1 1 1 12  30  32 o 35.50360 7.519492  357.1965       115.0302 349.2270       
225.6374 359.9951       133.7106 33.67125 12.27700 37.33595 8.685987 -3.664696 
15.03898 
1 1 1 12  30  33 o 21.31066 6.789348  27.07663       112.8274 48.39391       
226.8406 20.06932       130.0560 23.58027 10.67805 19.04106 8.388102 4.539204 
13.57870 
1 1 1 12  30  34 o 26.32516 7.592259  154.1484       116.1225 338.0650       
235.3346 94.95672       133.5076 31.04818 12.25584 21.60214 8.964591 9.446045 
15.18452 
1 1 1 12  30  35 o 24.48598 7.385445  122.0830       116.4514 331.4137       
236.5546 55.12760       133.7851 29.38813 12.03204 19.58383 8.567916 9.804302 
14.77089 
1 1 1 12  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  31  3  o 40.06090 3.584770  348.0772       55.60424 350.4208       
100.1091 347.0317       66.86745 39.89231 5.977308 40.22949 3.959052 
-0.3371849     7.169540 
1 1 1 12  31  4  o 80.83968 3.014228  1366.659       91.81860 1488.912       
176.6898 1321.432       107.4690 82.86679 5.078693 78.81255 3.247946 4.054237 
6.028455 
1 1 1 12  31  5  o 24.03344 5.993743  107.4836       66.70422 161.4821       
136.7421 90.62169       76.41245 27.21070 9.593016 20.85617 7.188456 6.354532 
11.98749 
1 1 1 12  31  6  o 29.26172 5.608082  209.9642       68.87480 145.0987       
129.9189 235.3206       81.22871 26.21811 9.339720 32.30532 6.210632 -6.087214 
11.21616 
1 1 1 12  31  7  o 29.10472 6.143693  152.0441       73.95982 314.5075       
150.0093 99.86903       85.01036 36.27411 9.670753 21.93534 7.580001 14.33877 
12.28739 
1 1 1 12  31  8  o 34.67355 4.761523  254.3789       63.72890 331.9007       
112.7391 217.9753       77.25645 38.19820 7.291214 31.14890 6.125896 7.049301 
9.523046 
1 1 1 12  31  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  31  10 o 40.99492 5.502169  404.4148       85.98073 306.5032       
146.3529 456.0192       106.2498 36.03518 9.527213 45.95467 5.507055 -9.919495 
11.00434 
1 1 1 12  31  11 o 106.7906 3.831966  2481.628       161.4052 2389.141       
277.8152 2528.752       198.3065 104.7688 6.316046 108.8124 4.340900 -4.043602 
7.663932 
1 1 1 12  31  12 o 29.02122 6.649075  169.6665       84.70363 248.8149       
162.4054 140.0915       99.27564 32.77232 10.47071 25.27013 8.197863 7.502192 
13.29815 
1 1 1 12  31  13 o 41.76803 5.849165  442.8667       92.89567 271.4146       
160.6559 528.9844       113.8601 34.00594 10.33779 49.53012 5.475493 -15.52418 
11.69833 
1 1 1 12  31  14 o 60.28469 4.688734  789.9253       105.6261 800.8822       
201.8869 785.7957       123.9432 60.03857 8.009380 60.53082 4.877163 
-0.4922485     9.377467 
1 1 1 12  31  15 o 26.90141 6.847642  149.1420       94.80299 112.1709       
174.9653 164.5074       112.7959 26.64111 10.55132 27.16170 8.730999 
-0.5205917     13.69528 
1 1 1 12  31  16 o 44.39381 5.842358  407.3088       96.11309 546.2300       
188.9868 358.8421       111.6269 48.25377 9.669810 40.53385 6.559523 7.719921 
11.68472 
1 1 1 12  31  17 f 56.56263 5.654525  807.2468       111.6507 517.0913       
193.9846 950.9848       136.5330 46.58326 10.19851 66.54199 4.887231 -19.95873 
11.30905 
1 1 1 12  31  18 o 82.67347 4.246941  1392.217       129.8860 1694.487       
263.2299 1294.936       149.3312 87.61897 7.155798 77.72797 4.576087 9.890991 
8.493881 
1 1 1 12  31  19 o 47.37434 5.207553  456.0058       95.31642 611.5859       
182.3258 397.4948       111.8124 52.10155 8.335250 42.64713 6.244841 9.454422 
10.41511 
1 1 1 12  31  20 o 32.63112 7.252739  195.7586       104.2552 415.4325       
202.2775 116.2943       121.6590 40.88729 11.37502 24.37495 9.000994 16.51234 
14.50548 
1 1 1 12  31  21 o 26.73979 7.020038  115.2085       99.54644 240.4070       
181.7615 61.56495       118.9764 32.07655 11.08376 21.40304 8.618240 10.67351 
14.04008 
1 1 1 12  31  22 f 37.73135 6.669487  361.6430       104.9026 253.7728       
191.4487 407.9258       125.4041 32.66957 11.36693 42.79314 6.980053 -10.12357 
13.33897 
1 1 1 12  31  23 o 34.40833 6.953815  310.8989       108.3574 172.6543       
200.0975 368.2597       128.8917 29.19128 11.35676 39.62537 8.027842 -10.43410 
13.90763 
1 1 1 12  31  24 o 38.51669 7.077192  331.1961       106.3498 479.3549       
203.4404 275.4830       124.7532 43.25642 11.13788 33.77695 8.734657 9.479473 
14.15438 
1 1 1 12  31  25 o 32.27702 7.255005  263.4505       106.5461 213.1495       
207.5310 281.4542       124.1579 30.51799 11.63930 34.03606 8.664124 -3.518072 
14.51001 
1 1 1 12  31  26 f 42.74485 7.183316  493.5496       115.9957 377.8760       
243.0881 527.6535       131.9921 37.05573 12.81661 48.43398 6.491109 -11.37825 
14.36663 
1 1 1 12  31  27 o 21.65908 6.833200  8.922914       107.1911 17.12042       
229.7752 6.642680       121.1857 24.55133 10.94578 18.76683 8.182931 5.784500 
13.66640 
1 1 1 12  31  28 o 29.12920 7.770943  176.3485       111.2662 302.0636       
239.6398 141.7986       125.6287 33.25148 12.55818 25.00693 9.156551 8.244558 
15.54189 
1 1 1 12  31  29 f 25.22281 7.340141  122.5237       112.5656 62.31265       
251.4843 137.6094       125.8798 25.83285 11.48599 24.61276 9.142362 1.220085 
14.68028 
1 1 1 12  31  30 o 34.79275 7.573339  335.1765       109.2928 309.3830       
260.9312 340.6645       120.3596 32.52314 12.88391 37.06237 7.964085 -4.539230 
15.14668 
1 1 1 12  31  31 o 52.59372 7.220998  748.8524       125.7527 722.6879       
272.9773 755.9008       141.6818 47.69949 13.19512 57.48795 5.870274 -9.788464 
14.44200 
1 1 1 12  31  32 o 38.67580 13.48816  528.5255       269.7030 528.5255       
269.7030 0.000000       0.000000 38.67580 13.48816 ?        ?        ? ? 
1 1 1 12  31  33 o 25.59476 7.667907  53.51694       111.2346 451.9281       
272.2590 -26.31217      121.8701 34.35205 13.27134 16.83746 7.684965 17.51460 
15.33581 
1 1 1 12  31  34 o 45.05040 6.384918  444.4922       109.7216 978.1250       
223.0545 274.1514       126.0228 59.47454 8.933077 30.62626 9.125177 28.84827 
12.76984 
1 1 1 12  31  35 o 19.04877 6.324642  -8.241944      107.6612 23.15631       
235.3779 -16.54873      121.0680 21.51123 10.10598 16.58632 7.607464 4.924906 
12.64928 
1 1 1 12  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  32  4  o 78.79478 2.757291  1302.474       86.82504 1439.040       
150.5218 1234.377       106.2904 81.56660 4.395496 76.02296 3.330199 5.543640 
5.514582 
1 1 1 12  32  5  o 47.21833 3.877736  482.2541       70.05256 505.1624       
129.8816 472.8559       83.19019 47.59114 6.500439 46.84552 4.229852 0.7456207 
7.755473 
1 1 1 12  32  6  o 33.69704 5.677722  230.1576       71.22787 369.1117       
144.6483 185.6791       81.83753 39.12479 8.989624 28.26929 6.937778 10.85549 
11.35544 
1 1 1 12  32  7  o 57.75382 3.930752  674.2842       87.29553 870.4147       
167.6114 601.2802       102.2596 62.72873 6.364408 52.77891 4.614926 9.949821 
7.861504 
1 1 1 12  32  8  o 23.85681 5.471436  115.8253       80.94341 -151.6006      
152.3641 220.9764       95.54056 16.91723 8.007810 30.79640 7.457976 -13.87917 
10.94287 
1 1 1 12  32  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  32  10 o 16.75623 5.349927  -31.74221      72.94828 -53.41499      
137.9052 -23.32170      85.95924 18.37124 8.322124 15.14123 6.725262 3.230015 
10.69985 
1 1 1 12  32  11 o 25.13795 6.293324  135.7543       81.95934 82.07873       
149.0594 159.0140       98.12344 23.91887 9.640174 26.35702 8.092635 -2.438148 
12.58665 
1 1 1 12  32  12 o 85.81871 3.715508  1552.954       121.8775 1698.106       
229.0230 1495.607       143.9540 88.02932 6.196877 83.60810 4.101064 4.421219 
7.431016 
1 1 1 12  32  13 o 82.44476 3.584695  1456.942       120.2811 1515.516       
197.2985 1422.296       151.7401 83.48108 5.629331 81.40844 4.439684 2.072639 
7.169390 
1 1 1 12  32  14 o 62.98729 4.435877  918.1652       108.8026 710.2255       
178.0571 1042.073       137.4485 56.38558 7.521635 69.58900 4.704575 -13.20341 
8.871754 
1 1 1 12  32  15 o 78.62930 3.846438  1250.800       114.5822 1559.988       
224.5519 1141.955       133.2329 84.28703 6.345665 72.97158 4.348894 11.31545 
7.692875 
1 1 1 12  32  16 o 69.52843 4.292673  1000.258       113.3928 1199.404       
219.3176 927.6011       132.4729 73.45911 7.111299 65.59774 4.810156 7.861374 
8.585346 
1 1 1 12  32  17 o 34.82068 6.693000  308.5163       94.35428 216.0962       
196.9691 336.0398       107.4897 31.21420 11.46183 38.42715 6.914587 -7.212950 
13.38600 
1 1 1 12  32  18 o 47.11153 6.035643  602.8669       100.4231 329.0862       
182.5050 721.7573       120.2671 36.44970 11.00593 57.77337 4.958384 -21.32368 
12.07129 
1 1 1 12  32  19 o 42.50169 6.503911  442.4679       99.39862 391.3098       
203.6949 458.4572       113.8775 39.28203 11.57621 45.72136 5.932528 -6.439323 
13.00782 
1 1 1 12  32  20 o 37.00225 6.782836  359.2559       107.6837 210.6212       
205.0136 415.8863       126.5458 30.87077 11.62736 43.13372 6.987982 -12.26295 
13.56567 
1 1 1 12  32  21 o 23.91928 6.690147  39.07923       92.83430 225.3008       
182.8727 -25.57119      107.7506 30.97966 11.07633 16.85889 7.506482 14.12077 
13.38029 
1 1 1 12  32  22 o 27.81951 7.175496  154.8869       102.2330 238.2806       
185.6802 118.6090       122.4673 31.45621 11.16958 24.18281 9.010623 7.273403 
14.35099 
1 1 1 12  32  23 o 23.16448 6.703318  68.99663       110.0064 -172.7673      
224.2188 145.6401       126.2449 20.65865 9.751357 25.67031 9.200483 -5.011663 
13.40664 
1 1 1 12  32  24 o 64.13480 5.006198  884.1009       122.8417 1068.916       
234.3440 814.0760       144.2482 67.60363 8.256670 60.66597 5.663520 6.937664 
10.01240 
1 1 1 12  32  25 o 34.87766 7.646252  266.9854       107.0750 449.8143       
229.5055 216.1177       121.0575 40.15063 12.38649 29.60467 8.968585 10.54596 
15.29250 
1 1 1 12  32  26 o 33.35657 7.650696  279.3750       108.5868 305.9847       
241.1901 272.6103       121.6084 33.59988 12.62018 33.11325 8.652382 0.4866219 
15.30139 
1 1 1 12  32  27 o 66.67607 6.007397  1101.009       126.5678 1015.626       
276.2617 1123.691       142.3905 61.83435 11.03929 71.51779 4.742289 -9.683441 
12.01479 
1 1 1 12  32  28 o 31.34054 7.991598  217.4235       116.6731 408.4840       
248.1209 163.1845       132.2007 36.65370 12.92217 26.02738 9.406384 10.62632 
15.98320 
1 1 1 12  32  29 o 22.51565 6.675794  73.48207       111.5166 -225.1768      
251.0698 146.8833       124.4682 20.19486 9.758718 24.83643 9.112207 -4.641569 
13.35159 
1 1 1 12  32  30 o 24.37018 7.342892  -15.54438      106.3201 365.6257       
254.1519 -96.39989      117.0547 33.81105 12.88478 14.92932 7.046603 18.88173 
14.68578 
1 1 1 12  32  31 o 23.33010 7.214691  69.40643       104.2930 177.7701       
254.5384 47.54380       114.3307 27.37869 11.89808 19.28152 8.163499 8.097166 
14.42938 
1 1 1 12  32  32 o 28.66203 7.905023  157.5252       107.3517 498.0023       
265.8193 91.17275       117.3467 36.28436 13.31602 21.03970 8.522972 15.24466 
15.81005 
1 1 1 12  32  33 o 27.73562 7.913700  133.4630       109.2582 567.0989       
275.9875 52.87265       118.9785 36.42946 13.53600 19.04178 8.202637 17.38768 
15.82740 
1 1 1 12  32  34 o 30.11228 12.95064  416.4092       295.6814 416.4092       
295.6814 0.000000       0.000000 30.11228 12.95064 ?        ?        ? ? 
1 1 1 12  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  33  4  o 19.29813 5.202794  67.49191       60.30570 16.35962       
99.53328 97.14961       75.80355 17.63486 7.546650 20.96140 7.164100 -3.326544 
10.40559 
1 1 1 12  33  5  o 45.15578 4.207837  492.8996       67.48091 379.7665       
121.2406 543.6774       81.22504 40.08455 7.482415 50.22701 3.851888 -10.14246 
8.415674 
1 1 1 12  33  6  o 18.75283 5.159088  49.32102       64.82552 -88.31335      
120.4371 105.4601       76.91830 15.78708 7.374661 21.71858 7.216585 -5.931503 
10.31818 
1 1 1 12  33  7  o 36.56380 6.010231  340.1237       80.45527 269.3373       
170.9039 360.2777       91.19229 32.63718 10.75704 40.49043 5.364470 -7.853245 
12.02046 
1 1 1 12  33  8  o 44.19667 5.544333  489.7715       87.63960 376.7262       
161.6431 536.8376       104.3002 38.78646 9.893353 49.60688 5.008002 -10.82042 
11.08867 
1 1 1 12  33  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  33  10 f 46.67770 5.657985  477.9137       97.30215 575.5515       
188.2569 442.3225       113.6613 48.63536 9.560442 44.72004 6.053851 3.915329 
11.31597 
1 1 1 12  33  11 f 21.99189 6.554189  -1.378528      84.55587 174.2506       
193.3688 -42.90037      94.02133 28.92470 11.18245 15.05908 6.839761 13.86562 
13.10838 
1 1 1 12  33  12 o 46.53958 5.107643  425.0473       90.19910 691.1453       
175.2331 329.1292       105.2071 55.20646 7.560442 37.87270 6.869628 17.33376 
10.21529 
1 1 1 12  33  13 o 66.84600 4.029520  975.5344       109.1946 999.0774       
179.9657 961.8169       137.3705 67.11107 6.387289 66.58093 4.914333 0.5301361 
8.059040 
1 1 1 12  33  14 o 79.55602 3.916579  1355.882       121.9904 1467.922       
218.9705 1305.459       146.8987 81.33604 6.412446 77.77599 4.498765 3.560043 
7.833158 
1 1 1 12  33  15 o 23.90504 6.689343  93.63258       92.99505 112.5193       
170.6234 85.65116       110.9176 25.81083 10.35064 21.99926 8.476641 3.811563 
13.37869 
1 1 1 12  33  16 o 26.35704 5.585312  159.3810       89.49048 -171.2524      
169.3463 287.4867       105.4111 17.59682 8.382718 35.11726 7.383285 -17.52044 
11.17062 
1 1 1 12  33  17 o 21.60603 5.575149  26.53385       89.20763 -263.8684      
146.4858 197.7195       112.4681 14.37920 7.064876 28.83286 8.626509 -14.45366 
11.15030 
1 1 1 12  33  18 o 34.00564 6.875796  294.8439       100.6190 232.6741       
188.0471 319.7837       119.1031 31.24972 11.22604 36.76156 7.942442 -5.511837 
13.75159 
1 1 1 12  33  19 o 34.44925 6.934705  301.2071       100.7552 256.7895       
192.8976 317.8717       118.1538 32.28144 11.39244 36.61706 7.910295 -4.335625 
13.86941 
1 1 1 12  33  20 o 20.36335 6.273176  8.542822       100.8058 -97.94753      
178.7882 58.17429       122.0569 19.61868 9.094911 21.10801 8.642542 -1.489336 
12.54635 
1 1 1 12  33  21 o 48.64889 6.230801  552.6389       107.7248 596.5635       
215.3228 537.9744       124.4143 48.12195 10.90766 49.17583 6.026143 -1.053886 
12.46160 
1 1 1 12  33  22 f 25.23005 7.196326  44.54494       106.6142 275.0581       
216.1206 -29.59294      122.5655 32.79314 12.00958 17.66695 7.932119 15.12620 
14.39265 
1 1 1 12  33  23 o 39.98222 6.920981  300.7033       107.7454 717.6716       
223.2417 174.0779       123.0224 52.98252 10.40697 26.98193 9.126600 26.00059 
13.84196 
1 1 1 12  33  24 o 29.41050 7.170187  217.0293       102.8462 179.3130       
200.5352 230.4901       119.8013 28.41420 11.28264 30.40679 8.851466 -1.992594 
14.34037 
1 1 1 12  33  25 o 24.36418 7.245736  93.30885       115.3294 69.72148       
228.9211 101.3319       133.5104 25.54641 11.19185 23.18194 9.205722 2.364473 
14.49147 
1 1 1 12  33  26 o 51.55323 6.985391  594.1435       122.9417 867.2360       
275.4538 526.2090       137.3848 55.42339 12.16906 47.68308 6.862709 7.740303 
13.97078 
1 1 1 12  33  27 o 42.13858 7.459266  556.8080       129.9070 306.5583       
290.2986 619.4687       145.2632 32.58365 13.33275 51.69351 6.693306 -19.10986 
14.91853 
1 1 1 12  33  28 o 60.23575 6.899570  1036.247       135.9516 734.6880       
265.0349 1143.929       158.3754 49.10537 12.74660 71.36613 5.285871 -22.26077 
13.79914 
1 1 1 12  33  29 o 31.62465 8.018544  198.5094       104.8645 523.5491       
267.3261 139.3972       114.0018 39.25029 13.45343 23.99899 8.728881 15.25130 
16.03709 
1 1 1 12  33  30 o 30.60429 7.586728  263.4694       107.6761 275.5165       
255.6204 260.8706       118.7231 29.95837 12.41662 31.25021 8.721310 -1.291834 
15.17346 
1 1 1 12  33  31 o 27.28254 7.773417  124.2678       106.7298 468.9837       
263.0705 56.34836       116.7719 35.12559 13.18277 19.43949 8.241280 15.68610 
15.54683 
1 1 1 12  33  32 o 27.37327 7.554011  220.4566       108.8033 280.7326       
265.9617 208.3413       119.2375 27.90864 12.14579 26.83790 8.985109 1.070744 
15.10802 
1 1 1 12  33  33 o 25.06564 7.558678  44.17511       109.7132 538.3332       
269.8629 -53.67445      120.0852 34.62270 13.25287 15.50857 7.272953 19.11413 
15.11736 
1 1 1 12  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  5  f 15.14366 4.837778  -29.87666      65.58805 -77.34951      
105.9336 -0.3658796     83.52206 14.73341 6.895318 15.55391 6.787561 
-0.8204975     9.675556 
1 1 1 12  34  6  o 28.53116 5.451883  169.7408       66.45813 310.5997       
117.0546 102.7378       80.73155 35.63138 8.018771 21.43093 7.388602 14.20045 
10.90377 
1 1 1 12  34  7  o 22.58329 5.826507  111.6066       70.94835 67.64552       
128.2887 130.9763       85.15604 21.53645 8.846282 23.63013 7.585250 -2.093674 
11.65301 
1 1 1 12  34  8  o 32.76292 6.660233  262.5970       83.90302 272.9517       
192.7678 260.1768       93.19373 32.28730 11.38921 33.23855 6.908020 
-0.9512520     13.32047 
1 1 1 12  34  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  34  10 o 38.69561 5.085271  327.1065       79.08427 461.2815       
130.7334 249.6698       99.31715 45.01270 6.917871 32.37853 7.455400 12.63416 
10.17054 
1 1 1 12  34  11 o 34.24745 6.233016  292.1393       87.30904 271.1880       
151.5870 302.5400       106.8036 32.69492 10.06258 35.79998 7.358423 -3.105064 
12.46603 
1 1 1 12  34  12 o 31.98137 6.955203  267.6021       104.5074 174.2034       
187.6215 309.6153       125.8360 28.31694 11.00104 35.64579 8.513313 -7.328857 
13.91041 
1 1 1 12  34  13 o 49.36887 6.525419  640.6413       103.8583 503.5743       
226.5554 677.1102       116.8609 43.10075 12.05383 55.63699 5.002957 -12.53624 
13.05084 
1 1 1 12  34  14 o 58.91283 4.446667  781.9717       99.51305 761.7430       
182.5764 790.5211       118.6934 57.55690 7.555589 60.26875 4.690892 -2.711849 
8.893333 
1 1 1 12  34  15 o 119.6820 4.053411  3130.024       194.2699 3315.501       
331.4893 3032.996       239.7584 121.4540 6.500978 117.9100 4.843332 3.544022 
8.106823 
1 1 1 12  34  16 o 26.82383 6.494372  172.9664       93.89877 46.17201       
169.4776 229.1284       112.7934 22.96808 9.838831 30.67958 8.479674 -7.711498 
12.98874 
1 1 1 12  34  17 o 33.94216 6.291649  308.2789       96.95560 150.2859       
174.9019 378.3673       116.4928 27.00970 10.59515 40.87462 6.788382 -13.86492 
12.58330 
1 1 1 12  34  18 o 61.46426 4.613490  785.1011       110.3750 1041.065       
207.6690 684.3276       130.3034 67.32365 7.347254 55.60486 5.581668 11.71878 
9.226980 
1 1 1 12  34  19 o 22.77958 6.313260  96.62748       88.06273 8.652056       
164.5603 131.9316       104.2454 21.42625 9.437174 24.13292 8.388608 -2.706671 
12.62652 
1 1 1 12  34  20 o 51.38316 5.064919  548.0708       101.6933 782.1777       
191.3512 455.9245       120.0502 57.81254 7.883702 44.95379 6.360884 12.85875 
10.12984 
1 1 1 12  34  21 o 25.56936 6.785614  128.8501       92.25340 206.1659       
168.4268 95.71235       110.2651 29.03584 10.60502 22.10289 8.468278 6.932947 
13.57123 
1 1 1 12  34  22 o 20.81949 6.522480  14.01222       105.0187 -41.03128      
204.1259 33.82621       122.4704 21.85840 9.967914 19.78058 8.414966 2.077822 
13.04496 
1 1 1 12  34  23 o 19.96350 6.209209  15.37390       97.08262 -77.02774      
184.5307 50.73770       114.1585 19.95994 9.248011 19.96707 8.288028 
-0.7129669E-02 12.41842 
1 1 1 12  34  24 o 62.23148 5.943675  969.6038       123.9493 873.2783       
249.0238 1001.327       142.9097 57.26480 10.75404 67.19815 5.065537 -9.933353 
11.88735 
1 1 1 12  34  25 o 71.54355 5.353579  1183.844       134.6001 1276.249       
281.1330 1156.363       153.3141 70.98299 9.433626 72.10412 5.064577 -1.121132 
10.70716 
1 1 1 12  34  26 o 23.01437 6.950416  80.64896       107.2742 47.51561       
224.2574 90.48017       122.1569 24.15675 10.79049 21.87199 8.763465 2.284754 
13.90083 
1 1 1 12  34  27 o 32.02485 7.607442  282.3680       110.8809 297.0108       
235.8767 278.2144       125.6265 31.52985 12.31725 32.51984 8.931859 
-0.9899921     15.21488 
1 1 1 12  34  28 o 26.77659 6.563154  192.7354       113.2227 -172.3204      
235.7293 302.2071       129.0877 19.90760 9.581824 33.64558 8.971544 -13.73798 
13.12631 
1 1 1 12  34  29 o 40.76602 7.120605  246.1503       108.9942 1067.844       
275.9678 94.28777       118.6394 60.14159 11.34449 21.39045 8.608981 38.75114 
14.24121 
1 1 1 12  34  30 o 19.54238 6.485483  -20.08803      105.4401 33.40782       
244.8656 -32.26509      116.8259 22.85475 10.61375 16.23000 7.456157 6.624752 
12.97097 
1 1 1 12  34  31 o 17.82018 6.032520  -52.01653      105.3976 -127.3953      
246.4321 -35.14120      116.6001 19.72618 9.556267 15.91418 7.364981 3.812010 
12.06504 
1 1 1 12  34  32 o 21.78176 6.221563  101.8422       109.5006 -383.1205      
257.2162 209.1877       121.0141 17.07587 8.537933 26.48767 9.051800 -9.411798 
12.44313 
1 1 1 12  35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  35  5  o 38.70605 4.199771  315.1715       64.63625 436.2296       
116.6399 261.5213       77.64904 43.37381 6.405315 34.03829 5.433621 9.335514 
8.399542 
1 1 1 12  35  6  f 61.95744 3.688877  851.0411       92.27822 889.1946       
154.0402 829.6854       115.2456 62.52015 5.868607 61.39474 4.471098 1.125401 
7.377755 
1 1 1 12  35  7  o 27.31944 5.856408  190.1998       71.31731 158.2121       
131.1970 203.6162       84.96718 25.64576 9.360516 28.99312 7.040652 -3.347359 
11.71282 
1 1 1 12  35  8  o 37.50117 5.481106  383.5954       81.12691 215.0641       
137.7652 473.0638       100.3770 28.89893 9.657989 46.10340 5.185879 -17.20447 
10.96221 
1 1 1 12  35  9  o 37.77458 9.711181  372.9221       154.8388 0.000000       
0.000000 372.9221       154.8388 ?        ?        37.77458 9.711181 ? ? 
1 1 1 12  35  10 o 32.97973 6.438747  275.2075       89.16971 282.8906       
153.2954 271.2785       109.6240 32.73626 10.12803 33.22321 7.953168 
-0.4869461     12.87749 
1 1 1 12  35  11 f 54.76962 4.105421  669.9072       91.04636 686.7818       
150.2361 660.1126       114.4592 54.84438 6.524741 54.69485 4.984543 0.1495209 
8.210841 
1 1 1 12  35  12 o 51.17570 5.386398  698.9716       97.84165 333.3069       
150.2650 968.1046       128.9140 35.86173 9.732725 66.48967 4.618137 -30.62794 
10.77280 
1 1 1 12  35  13 o 24.44966 6.511063  129.8467       92.81634 70.94679       
151.4188 165.2986       117.4741 22.68550 9.488810 26.21382 8.918421 -3.528320 
13.02213 
1 1 1 12  35  14 f 34.85123 7.314583  318.8646       108.9451 310.9408       
209.1345 321.8158       127.6305 33.69544 11.86519 36.00702 8.557446 -2.311577 
14.62917 
1 1 1 12  35  15 o 21.91987 6.758688  -1.834469      91.16638 170.8197       
215.9487 -39.27931      100.5676 28.30602 11.52702 15.53371 7.060265 12.77232 
13.51738 
1 1 1 12  35  16 o 67.57228 4.310349  991.4517       109.5510 1119.415       
211.8413 944.7376       127.9947 69.45658 7.264711 65.68799 4.641166 3.768593 
8.620699 
1 1 1 12  35  17 o 19.65349 6.158817  1.244971       89.07108 36.39897       
174.9961 -11.04679      103.4780 22.54323 9.831375 16.76375 7.420794 5.779482 
12.31763 
1 1 1 12  35  18 o 21.29415 6.200554  61.49488       92.42918 -32.82232      
155.7272 112.7921       114.8460 19.48883 8.835176 23.09947 8.702135 -3.610645 
12.40111 
1 1 1 12  35  19 o 54.10695 5.757410  708.9241       112.2613 687.8497       
210.2838 717.3245       132.7632 51.57570 10.07065 56.63820 5.583278 -5.062500 
11.51482 
1 1 1 12  35  20 o 59.73476 4.927200  762.3565       109.1589 976.9648       
221.1344 693.2146       125.5174 63.70034 8.268668 55.76918 5.360815 7.931168 
9.854401 
1 1 1 12  35  21 o 49.93126 6.259155  620.6310       111.6163 612.2179       
215.4129 623.7188       130.5012 47.35430 11.03013 52.50822 5.919816 -5.153919 
12.51831 
1 1 1 12  35  22 o 72.39906 4.662720  1152.075       126.5844 1347.655       
247.2542 1082.604       147.3610 74.98370 7.854128 69.81443 5.027574 5.169266 
9.325439 
1 1 1 12  35  23 f 35.47205 7.180806  246.3899       110.4221 633.5491       
219.0415 114.4770       127.8572 47.68182 11.13320 23.26229 9.072362 24.41953 
14.36161 
1 1 1 12  35  24 o 25.09269 7.191803  116.8311       104.1028 211.6018       
209.9400 85.93013       119.8792 28.65553 11.48558 21.52985 8.658503 7.125679 
14.38361 
1 1 1 12  35  25 o 20.13424 6.625650  -41.21514      121.9431 -73.14098      
241.4420 -30.28248      141.2878 21.97322 10.30608 18.29527 8.329562 3.677940 
13.25130 
1 1 1 12  35  26 o 40.84329 6.984414  483.5388       113.3700 392.1644       
222.3789 515.6270       131.7813 35.00548 12.24397 46.68110 6.724091 -11.67562 
13.96883 
1 1 1 12  35  27 f 21.32555 6.499685  53.96899       112.0726 -159.7614      
217.6314 131.1030       130.7409 19.13908 9.210638 23.51201 9.173210 -4.372927 
12.99937 
1 1 1 12  35  28 o 25.59203 7.326846  72.77127       109.2980 413.1579       
231.3220 -25.06079      124.0142 34.19409 12.43431 16.98997 7.753628 17.20412 
14.65369 
1 1 1 12  35  29 o 18.68340 6.189794  -17.66510      106.4158 -81.61469      
228.9039 -0.3326110E-01 120.1941 20.08122 9.610794 17.28557 7.803002 2.795650 
12.37959 
1 1 1 12  35  30 o 21.34248 6.733479  78.45452       108.3101 70.42686       
237.3337 80.56620       121.7248 22.60529 10.47918 20.07967 8.458471 2.525623 
13.46696 
1 1 1 12  36  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  36  5  f 18.47988 5.064877  67.35995       58.48029 -16.90459      
111.1905 99.58265       68.75848 16.55396 7.487162 20.40580 6.823073 -3.851831 
10.12975 
1 1 1 12  36  6  o 33.44376 5.259494  311.1565       72.69722 174.0377       
124.4884 382.1145       89.55321 25.81253 9.147735 41.07499 5.193077 -15.26246 
10.51899 
1 1 1 12  36  7  o 19.66540 5.865530  51.96508       80.53229 47.74076       
134.6100 54.31988       100.5021 20.36162 8.746941 18.96918 7.817213 1.392441 
11.73106 
1 1 1 12  36  8  o 34.58699 5.645024  304.2910       78.13041 278.5870       
136.6367 316.7784       95.23626 32.12685 9.485424 37.04713 6.123064 -4.920288 
11.29005 
1 1 1 12  36  9  o 26.14118 8.849411  173.4259       115.6631 0.000000       
0.000000 173.4259       115.6631 ?        ?        26.14118 8.849411 ? ? 
1 1 1 12  36  10 o 31.28133 6.425798  219.2973       85.39278 386.6744       
157.3941 149.4785       101.6545 37.90559 9.815104 24.65706 8.296220 13.24853 
12.85160 
1 1 1 12  36  11 f 42.76910 5.776049  446.2079       96.87996 469.0617       
163.9973 433.9574       120.0702 42.31758 9.469185 43.22063 6.617061 
-0.9030495     11.55210 
1 1 1 12  36  12 o 49.22944 5.037428  540.1425       101.1891 717.7880       
168.9099 440.6989       126.3765 55.06771 7.305993 43.39117 6.937232 11.67654 
10.07486 
1 1 1 12  36  13 o 36.79060 5.984911  354.1982       90.28827 277.6318       
150.8221 396.9630       112.7170 32.09664 10.06940 41.48457 6.471781 -9.387924 
11.96982 
1 1 1 12  36  14 o 27.12846 6.037340  195.3515       87.49216 30.76952       
156.9918 269.4974       105.3731 21.20826 9.279941 33.04866 7.725322 -11.84040 
12.07468 
1 1 1 12  36  15 o 27.41182 6.458493  110.6072       97.88760 386.0567       
168.0135 -30.93928      120.4405 37.68887 10.31955 17.13478 7.768872 20.55408 
12.91699 
1 1 1 12  36  16 o 23.84235 7.254848  57.43282       117.2247 176.7621       
226.8221 13.94496       136.9291 28.05298 11.66586 19.63172 8.627810 8.421257 
14.50970 
1 1 1 12  36  17 o 28.26170 7.426116  186.9928       97.99747 226.4587       
241.9396 179.2471       107.1837 29.78907 12.17754 26.73433 8.502728 3.054739 
14.85223 
1 1 1 12  36  18 o 23.40684 6.298689  118.5197       93.29694 -63.30765      
184.5414 180.9499       108.1339 19.99927 9.259351 26.81441 8.541568 -6.815144 
12.59738 
1 1 1 12  36  19 o 16.29588 5.445770  -91.94411      91.38009 -116.6821      
165.5990 -81.11341      109.5729 17.77559 8.387486 14.81617 6.948075 2.959425 
10.89154 
1 1 1 12  36  20 o 23.25834 6.818332  92.48901       97.60456 124.7218       
195.6182 81.80454       112.6256 25.45897 10.72354 21.05772 8.424029 4.401251 
13.63666 
1 1 1 12  36  21 f 26.89215 7.292384  159.7748       105.5133 262.8032       
200.9447 120.5546       123.9803 30.49085 11.50434 23.29344 8.964682 7.197411 
14.58477 
1 1 1 12  36  22 o 16.70448 5.679232  -120.1270      102.7773 -209.3507      
209.0437 -91.68416      118.0276 18.30134 8.854199 15.10762 7.114621 3.193719 
11.35846 
1 1 1 12  36  23 o 24.10978 7.071909  119.2123       110.2425 87.90842       
216.9087 130.1147       128.0084 24.54232 10.81937 23.67725 9.109821 0.8650723 
14.14382 
1 1 1 12  36  24 o 25.73793 7.372000  158.4203       118.1261 171.2945       
213.1593 152.7143       141.9094 26.62144 11.20268 24.85442 9.585690 1.767029 
14.74400 
1 1 1 12  36  25 o 22.74602 6.849858  96.76129       111.0274 33.52483       
210.8246 121.0304       130.6064 22.51676 10.23101 22.97527 9.110907 
-0.4585152     13.69972 
1 1 1 12  36  26 o 30.44960 8.034200  180.7205       122.6736 604.3151       
265.1153 65.31676       138.3788 40.24304 13.39782 20.65616 8.870836 19.58687 
16.06840 
1 1 1 12  36  27 o 25.79074 7.401088  128.1068       112.0054 386.3971       
224.8605 42.87373       129.1704 32.37475 12.18045 19.20674 8.410769 13.16801 
14.80218 
1 1 1 12  36  28 o 34.01717 7.721584  375.1685       117.4121 436.9004       
233.9503 354.3853       135.7453 33.17615 12.43557 34.85819 9.156852 -1.682037 
15.44317 
1 1 1 12  36  29 o 23.26769 7.015902  137.1276       107.7653 154.2119       
235.9297 132.6234       121.1411 24.20701 10.92962 22.32837 8.799714 1.878649 
14.03180 
1 1 1 12  37  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  37  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 12  37  6  o 25.02420 5.670348  174.4833       67.44352 136.2850       
123.1614 190.8438       80.60285 22.87826 8.907976 27.17014 7.018500 -4.291882 
11.34070 
1 1 1 12  37  7  o 14.63598 4.921071  -84.82877      75.34174 -40.89231      
132.5256 -105.8103      91.58105 16.91381 7.836882 12.35816 5.954077 4.555644 
9.842141 
1 1 1 12  37  8  o 30.36508 6.653039  254.6302       90.69245 293.4856       
151.8406 233.0807       113.0790 31.46883 10.13150 29.26133 8.625797 2.207504 
13.30608 
1 1 1 12  37  9  o 24.31093 8.455983  152.4353       105.9413 0.000000       
0.000000 152.4353       105.9413 ?        ?        24.31093 8.455983 ? ? 
1 1 1 12  37  10 o 33.86873 6.286012  261.0539       84.90840 463.7745       
162.2710 184.6253       99.63683 41.10843 9.572136 26.62903 8.150459 14.47940 
12.57202 
1 1 1 12  37  11 o 31.66529 5.342623  302.2149       87.92376 1.826559       
159.0030 434.5226       105.5252 19.90838 8.981529 43.42220 5.788491 -23.51382 
10.68525 
1 1 1 12  37  12 o 30.40067 6.893877  261.5661       101.5364 207.6622       
165.2692 294.2479       128.6871 27.66171 10.43432 33.13964 9.012607 -5.477934 
13.78775 
1 1 1 12  37  13 o 26.04551 6.853429  175.5323       103.3492 104.5266       
170.0195 217.1451       130.1564 23.68405 9.987638 28.40698 9.387494 -4.722931 
13.70686 
1 1 1 12  37  14 o 36.49520 6.438690  356.4494       94.34669 345.4084       
167.8637 361.5478       114.0682 34.66238 10.57309 38.32801 7.350970 -3.665634 
12.87738 
1 1 1 12  37  15 f 27.47405 5.605341  204.2578       86.01844 -20.56574      
147.4717 320.1919       105.8994 18.83808 8.558803 36.11002 7.240602 -17.27194 
11.21068 
1 1 1 12  37  16 f 21.12519 6.361926  62.02065       93.91187 65.39907       
167.2042 60.46373       113.5067 22.33434 9.673624 19.91603 8.265433 2.418308 
12.72385 
1 1 1 12  37  17 o 20.44060 6.420297  21.12511       106.0391 35.92064       
179.3582 13.17458       131.4783 21.88436 9.718187 18.99684 8.392715 2.887524 
12.84059 
1 1 1 12  37  18 o 27.11580 7.108218  191.2989       125.4458 -57.46891      
227.8977 299.4396       150.2580 21.55926 10.09409 32.67233 10.01081 -11.11307 
14.21644 
1 1 1 12  37  19 o 44.44940 7.415067  453.3775       112.0331 783.5610       
264.1178 380.9339       123.7143 50.02017 12.57951 38.87862 7.854225 11.14155 
14.83013 
1 1 1 12  37  20 o 20.70757 6.303712  56.44766       96.61577 11.27617       
172.0571 77.25072       116.7627 20.73623 9.349630 20.67892 8.457632 
0.5730247E-01  12.60742 
1 1 1 12  37  21 o 27.64153 7.273287  198.9843       102.2434 251.0534       
206.9010 182.1607       117.6066 29.08339 11.48803 26.19968 8.923450 2.883705 
14.54657 
1 1 1 12  37  22 o 25.60833 6.903125  175.2955       98.96447 105.2635       
213.9656 194.3547       111.6217 24.31476 10.72891 26.90190 8.689241 -2.587143 
13.80625 
1 1 1 12  37  23 o 23.22103 6.886589  114.5372       100.5023 117.8867       
217.7360 113.6304       113.2932 24.44344 10.79953 21.99861 8.548136 2.444830 
13.77318 
1 1 1 12  37  24 o 40.51874 7.393267  523.0877       125.2575 452.0183       
245.8138 548.0131       145.5749 34.43187 12.77845 46.60561 7.439938 -12.17374 
14.78653 
1 1 1 12  37  25 o 34.34002 7.695557  375.3415       118.2476 430.9165       
223.7529 353.8056       139.2869 33.85737 12.23730 34.82267 9.334601 
-0.9653015     15.39111 
1 1 1 12  37  26 o 18.79415 6.191336  -2.819449      107.1258 -45.31359      
217.9631 10.71463       123.0078 19.99992 9.519267 17.58839 7.919223 2.411533 
12.38267 
1 1 1 12  37  27 o 23.69716 7.411453  131.4943       129.2124 225.3998       
261.8539 101.2691       148.5589 25.93236 11.61977 21.46195 9.203238 4.470413 
14.82291 
1 1 1 12  38  7  o 20.22105 5.737863  95.29318       71.16588 76.54269       
134.1459 102.6373       83.95390 20.20016 8.705806 20.24193 7.476712 
-0.4176521E-01 11.47573 
1 1 1 12  38  8  o 17.33232 5.400508  10.26624       82.75219 -125.9284      
141.1844 81.54187       102.1357 15.18423 7.334081 19.48042 7.929263 -4.296196 
10.80102 
1 1 1 12  38  9  o 36.80734 6.929483  410.5580       102.3315 425.1247       
201.5190 405.4968       118.7864 34.25082 11.68086 39.36386 7.458448 -5.113049 
13.85897 
1 1 1 12  38  10 o 41.06802 5.558867  474.4844       83.98820 364.8495       
151.0560 523.5438       101.0472 34.56333 9.899890 47.57270 5.059268 -13.00938 
11.11773 
1 1 1 12  38  11 o 16.73759 5.473351  -29.54137      82.65489 9.882415       
149.8436 -46.78303      99.09428 18.99628 8.629793 14.47890 6.734757 4.517385 
10.94670 
1 1 1 12  38  12 o 25.34468 6.466685  183.7037       89.14200 128.9230       
163.1692 207.0095       106.4282 23.31577 9.806029 27.37360 8.432903 -4.057831 
12.93337 
1 1 1 12  38  13 o 27.31083 6.864408  223.5404       104.5023 135.1915       
174.4123 273.0218       130.5262 23.84789 10.08914 30.77377 9.310724 -6.925875 
13.72882 
1 1 1 12  38  14 o 24.47112 6.260518  134.0858       102.6415 -79.77331      
159.6362 284.8081       134.0159 17.49832 8.250324 31.44391 9.418517 -13.94559 
12.52104 
1 1 1 12  38  15 o 19.47041 6.215033  15.41138       103.2537 10.94223       
181.5265 17.54892       125.5409 20.58843 9.391784 18.35239 8.142537 2.236044 
12.43007 
1 1 1 12  38  16 o 20.97836 6.233921  80.58808       94.71787 -13.96194      
173.7678 120.5552       112.9770 19.68530 9.064495 22.27141 8.560490 -2.586102 
12.46784 
1 1 1 12  38  17 o 30.38103 6.609091  278.0287       100.0057 167.0916       
161.9813 346.3611       127.1276 25.01984 10.06363 35.74223 8.569926 -10.72239 
13.21818 
1 1 1 12  38  18 o 24.03248 6.775792  148.0252       101.1239 151.3351       
165.7696 146.0634       127.6202 24.37096 10.04083 23.69400 9.100945 0.6769638 
13.55158 
1 1 1 12  38  19 o 35.46920 7.059553  351.7197       113.5035 561.5415       
182.0758 218.3534       145.1610 43.72990 10.11141 27.20849 9.854366 16.52141 
14.11911 
1 1 1 12  38  20 o 23.68856 7.160898  134.5705       122.8082 94.44888       
226.0986 151.3610       146.2650 23.45875 10.63984 23.91837 9.586844 
-0.4596214     14.32180 
1 1 1 12  38  21 o 36.00181 8.865125  445.6670       150.5451 643.3203       
293.2198 374.9152       175.4325 38.23829 13.99013 33.76533 10.89211 4.472965 
17.73025 
1 1 1 12  38  22 o 30.76527 7.199873  311.8492       108.7845 260.7507       
220.3007 328.3269       125.1008 27.46977 11.46475 34.06076 8.712760 -6.590992 
14.39975 
1 1 1 12  38  23 o 21.78601 6.876255  69.53035       100.6929 198.5518       
240.2331 42.03245       110.9052 25.45694 11.28311 18.11509 7.862756 7.341852 
13.75251 
1 1 1 12  38  24 o 38.78148 7.084591  471.0328       111.3979 469.2958       
222.9871 471.6104       128.5944 34.59996 12.24494 42.96300 7.129326 -8.363041 
14.16918 
1 1 1 12  39  13 o 19.61381 5.817097  57.48233       92.99484 -168.7654      
174.9212 146.6237       109.7969 16.19703 7.899054 23.03059 8.541628 -6.833557 
11.63419 
1 1 1 12  39  14 o 44.63020 6.885218  558.3528       115.6194 702.2362       
218.2101 502.1913       136.3293 45.87262 11.37245 43.38777 7.764818 2.484856 
13.77044 
1 1 1 12  39  15 o 21.68984 6.501580  104.7145       98.77369 140.5558       
167.2529 85.51972       122.3976 23.14452 9.839580 20.23515 8.500875 2.909374 
13.00316 
1 1 1 12  39  16 o 28.83165 6.717760  268.4764       109.6504 99.19809       
175.0111 377.8661       140.6867 21.97461 9.698882 35.68868 9.297575 -13.71407 
13.43552 
1 1 1 12  39  17 o 34.37995 7.377002  367.7399       113.8932 489.9907       
184.9845 293.1056       144.5368 38.34953 10.94619 30.41037 9.892502 7.939161 
14.75400 
1 1 1 12  39  18 o 32.28067 6.752005  353.9176       110.0202 195.5615       
192.3604 430.9040       134.1236 25.11732 10.60935 39.44403 8.354644 -14.32671 
13.50401 
1 1 1 12  39  19 o 22.66304 6.712707  131.3693       105.1344 139.3331       
174.1596 126.8032       131.8735 23.16063 9.949301 22.16545 9.014051 0.9951763 
13.42541 
1 1 1 13  -28 0  o 24.84272 6.862097  175.7052       101.0870 159.6370       
127.4547 202.9524       165.9713 23.91177 9.120946 25.77367 10.25485 -1.861895 
13.72419 
1 1 1 13  -28 1  o 21.14972 6.456237  84.67666       106.1533 29.40706       
148.9100 141.7851       151.3669 19.22086 8.680471 23.07859 9.559361 -3.857731 
12.91247 
1 1 1 13  -27 0  o 43.07593 6.107908  507.2112       104.9240 592.3015       
135.6551 380.5061       165.5363 50.01194 6.460758 36.13992 10.36749 13.87201 
12.21582 
1 1 1 13  -27 1  o 16.44081 5.417089  -63.13802      90.82706 -105.2121      
122.7142 -12.16408      135.0708 14.85646 7.092622 18.02515 8.189881 -3.168688 
10.83418 
1 1 1 13  -27 2  o 60.79522 4.891371  924.3675       120.7969 991.7571       
157.8245 829.0519       187.6982 64.86384 5.795527 56.72660 7.881238 8.137238 
9.782742 
1 1 1 13  -27 3  o 23.43061 6.414133  88.00439       102.1270 -66.56962      
133.9084 302.9195       157.8967 16.13714 7.593234 30.72408 10.33959 -14.58694 
12.82827 
1 1 1 13  -27 4  o 23.64716 6.732169  156.2429       104.9654 104.0738       
159.7672 195.8619       139.2300 21.84198 9.458146 25.45234 9.582895 -3.610359 
13.46434 
1 1 1 13  -26 0  o 29.55583 6.938665  218.1808       104.5217 125.1498       
138.6047 340.8319       159.1475 23.94218 9.419970 35.16948 10.19041 -11.22730 
13.87733 
1 1 1 13  -26 1  o 26.07793 6.343163  148.8900       95.55693 292.5055       
137.4427 14.51941       132.9453 32.94617 9.445418 19.20969 8.469176 13.73648 
12.68633 
1 1 1 13  -26 2  o 20.11984 6.246508  17.44799       102.6253 -37.87442      
138.5634 84.66788       152.7380 17.81838 8.158343 22.42129 9.461335 -4.602907 
12.49302 
1 1 1 13  -26 3  o 23.45940 6.360215  130.4130       90.06156 168.2229       
120.3195 82.23616       135.8165 25.38286 8.993482 21.53594 8.995923 3.846924 
12.72043 
1 1 1 13  -26 4  o 30.75262 6.958941  262.9168       105.7450 164.4374       
140.6223 391.0728       160.4173 24.93504 9.560348 36.57019 10.11470 -11.63515 
13.91788 
1 1 1 13  -26 5  o 25.32276 7.004347  178.2762       109.4831 125.8585       
151.7561 235.1708       158.1038 22.96446 9.545501 27.68106 10.25314 -4.716593 
14.00869 
1 1 1 13  -26 6  f 26.14426 6.958445  189.2079       108.7990 85.71189       
144.2917 325.5902       165.6375 20.95231 9.029485 31.33620 10.59001 -10.38390 
13.91689 
1 1 1 13  -26 7  o 61.48629 5.435337  954.6984       134.0674 859.5558       
164.3712 1143.788       231.7249 58.62300 6.678500 64.34959 8.577248 -5.726589 
10.87067 
1 1 1 13  -25 0  o 52.93298 5.018150  662.7234       108.4364 726.3469       
143.3659 577.6653       165.7657 56.67326 6.025440 49.19271 8.026294 7.480541 
10.03630 
1 1 1 13  -25 1  o 22.25671 5.984843  82.81289       87.40505 180.1158       
116.1748 -44.10627      132.6823 26.88479 8.868965 17.62864 8.038336 9.256147 
11.96969 
1 1 1 13  -25 2  o 53.57714 4.703803  633.9296       103.2660 512.0869       
130.3926 838.9221       169.1305 47.03536 6.603124 60.11892 6.700881 -13.08356 
9.407606 
1 1 1 13  -25 3  o 51.68646 5.116853  624.2878       110.1339 555.3154       
145.0143 718.2910       169.2952 48.45369 7.128614 54.91924 7.342451 -6.465553 
10.23371 
1 1 1 13  -25 4  o 17.53004 5.671094  -39.54253      94.10927 -3.380333      
118.8270 -100.3927      154.1412 17.75883 7.895717 17.30124 8.142657 0.4575977 
11.34219 
1 1 1 13  -25 5  o 23.70992 6.743752  123.8703       103.6342 146.3857       
137.7985 94.55350       157.2401 24.54796 9.450324 22.87187 9.623104 1.676086 
13.48750 
1 1 1 13  -25 6  o 28.83060 7.251595  229.7873       104.4381 209.2718       
125.1503 276.8442       189.5407 27.60742 9.205191 30.05378 11.20745 -2.446360 
14.50319 
1 1 1 13  -25 7  o 48.34486 6.154966  606.0051       116.9369 552.7998       
144.4589 707.1349       199.1620 46.97958 7.324134 49.71014 9.894012 -2.730556 
12.30993 
1 1 1 13  -25 8  o 20.30434 6.387641  54.86600       108.8043 78.03238       
135.7283 13.21044       182.0027 20.49318 8.792630 20.11550 9.268089 0.3776855 
12.77528 
1 1 1 13  -25 9  o 22.18299 6.312467  102.3323       109.3056 229.6589       
133.7654 -153.5376      189.6242 27.26554 9.500013 17.10045 8.314967 10.16510 
12.62493 
1 1 1 13  -24 0  o 46.35012 5.753333  518.1583       106.7453 562.8226       
141.1573 458.5004       163.1386 49.79048 6.752712 42.90977 9.316879 6.880711 
11.50667 
1 1 1 13  -24 1  o 87.33981 4.045356  1676.416       140.6672 1626.461       
172.5876 1775.270       242.7838 86.20049 4.768929 88.47913 6.535819 -2.278648 
8.090712 
1 1 1 13  -24 2  o 21.48991 6.152253  68.09418       90.26811 123.0484       
112.9476 -29.06381      150.1813 23.66402 8.680440 19.31580 8.720713 4.348225 
12.30451 
1 1 1 13  -24 3  o 62.66441 4.465189  878.7115       115.6813 812.4897       
149.0647 978.9808       183.4248 60.04421 5.913227 65.28460 6.692191 -5.240387 
8.930379 
1 1 1 13  -24 4  o 31.63814 6.836343  262.6800       99.24991 278.0803       
139.7868 247.0243       140.9415 32.57483 9.586666 30.70145 9.748753 1.873386 
13.67269 
1 1 1 13  -24 5  o 36.90721 6.512617  341.0642       98.45152 289.9667       
124.2206 427.3780       161.4484 33.60764 8.727767 40.20679 9.668650 -6.599155 
13.02523 
1 1 1 13  -24 6  o 29.12697 7.123383  213.4123       106.9586 140.4347       
138.7983 320.1082       167.8274 24.60288 9.481825 33.65106 10.63322 -9.048182 
14.24677 
1 1 1 13  -24 7  o 16.75063 5.539790  -90.45015      96.07391 -151.1949      
126.9176 -8.929961      147.0280 14.38147 6.947600 19.11979 8.630640 -4.738327 
11.07958 
1 1 1 13  -24 8  o 37.56884 6.847646  381.1780       102.2069 359.4424       
121.7569 433.0351       188.0664 37.39470 7.989374 37.74299 11.12344 
-0.3482895     13.69529 
1 1 1 13  -24 9  o 17.48702 5.814605  -76.59630      96.00695 -125.7587      
113.7225 45.36588       179.1193 13.67238 6.598943 21.30166 9.575620 -7.629277 
11.62921 
1 1 1 13  -24 10 o 20.55173 6.445141  28.35320       104.1753 -42.57825      
126.4634 178.1018       183.7498 16.28006 7.586292 24.82339 10.42149 -8.543335 
12.89028 
1 1 1 13  -24 11 o 19.48534 6.275131  -1.652793      106.4426 -72.73918      
130.3382 140.6956       184.4399 15.64990 7.407210 23.32078 10.13125 -7.670878 
12.55026 
1 1 1 13  -23 0  o 37.55085 5.904295  333.9922       90.13810 311.2662       
119.9078 363.5213       136.6820 36.18710 8.096524 38.91460 8.595878 -2.727501 
11.80859 
1 1 1 13  -23 1  o 20.16813 5.924636  19.28620       89.44442 109.0236       
121.0332 -88.69331      132.7665 23.54026 8.914724 16.79601 7.805956 6.744244 
11.84927 
1 1 1 13  -23 2  o 29.49395 6.573565  212.1149       90.62846 208.7187       
123.2845 216.1081       133.6819 29.27453 9.087875 29.71338 9.500397 
-0.4388447     13.14713 
1 1 1 13  -23 3  o 83.12038 3.855753  1534.633       133.5597 1711.496       
186.9670 1350.335       190.8569 88.33925 5.041180 77.90151 5.835566 10.43774 
7.711506 
1 1 1 13  -23 4  o 84.84871 3.943283  1560.052       135.9120 1449.608       
169.5158 1758.828       227.4152 81.23186 4.970556 88.46555 6.123031 -7.233688 
7.886566 
1 1 1 13  -23 5  o 30.57000 6.554430  235.8583       91.26198 215.8229       
124.6229 259.0279       134.0163 29.29412 9.145752 31.84589 9.391351 -2.551777 
13.10886 
1 1 1 13  -23 6  o 54.99955 4.945469  722.4039       109.5565 819.0765       
144.1421 590.1627       168.5863 60.38396 5.685782 49.61514 8.093365 10.76883 
9.890939 
1 1 1 13  -23 7  o 26.27095 6.907029  167.2249       103.0767 198.0969       
137.0789 127.0564       156.3620 27.82858 9.624537 24.71331 9.909414 3.115265 
13.81406 
1 1 1 13  -23 8  o 70.93349 4.654905  1163.072       135.9234 1125.809       
175.0170 1219.708       215.7659 70.16348 5.941419 71.70348 7.167434 -1.540001 
9.309811 
1 1 1 13  -23 9  o 55.09177 5.428408  728.5599       120.1071 559.1718       
159.4081 950.9991       182.6730 46.87724 8.404276 63.30631 6.873033 -16.42907 
10.85682 
1 1 1 13  -23 10 o 19.40818 6.178918  9.875643       102.4086 35.45238       
123.5393 -46.30609      183.0966 19.14205 8.303371 19.67432 9.152602 
-0.5322685     12.35784 
1 1 1 13  -23 11 o 47.48394 6.052129  567.1356       111.1009 481.0324       
135.1515 746.5876       195.1126 43.10265 7.750662 51.86522 9.297327 -8.762569 
12.10426 
1 1 1 13  -23 12 o 23.05968 6.636102  140.7979       99.62376 141.0223       
127.3810 140.4445       159.8681 22.90996 9.025224 23.20941 9.731225 
-0.2994556     13.27220 
1 1 1 13  -22 0  o 45.20464 4.941275  442.4694       92.25285 392.1777       
118.1851 520.9009       147.5911 42.10786 6.685299 48.30141 7.278157 -6.193558 
9.882549 
1 1 1 13  -22 1  o 56.68826 4.331457  686.1282       99.28857 633.8511       
122.8917 784.4014       168.4940 53.94862 5.425793 59.42790 6.753284 -5.479286 
8.662914 
1 1 1 13  -22 2  o 37.06841 5.980670  331.3127       91.14199 372.6048       
123.2766 281.5311       135.3572 40.05626 7.605556 34.08056 9.231966 5.975700 
11.96134 
1 1 1 13  -22 3  o 58.01851 4.205334  741.1696       100.9703 732.1453       
131.9225 753.9324       156.8877 57.82784 5.433792 58.20918 6.419755 
-0.3813324     8.410668 
1 1 1 13  -22 4  o 47.77913 5.745769  574.5441       105.1896 781.2168       
142.4091 326.3971       156.0453 59.50898 5.700019 36.04927 9.978237 23.45971 
11.49154 
1 1 1 13  -22 5  o 26.65807 5.774914  129.9102       96.97475 325.7854       
126.7030 -147.1053      150.6778 36.66434 8.406217 16.65179 7.920483 20.01255 
11.54983 
1 1 1 13  -22 6  o 44.26895 5.839685  477.6081       104.4257 553.1805       
141.9610 388.4990       154.1516 49.26370 6.863774 39.27421 9.449673 9.989491 
11.67937 
1 1 1 13  -22 7  o 57.09829 4.491531  741.8757       107.1208 791.6990       
148.2471 687.4388       154.9591 59.37280 5.947298 54.82377 6.732389 4.549030 
8.983063 
1 1 1 13  -22 8  o 24.46935 6.190431  128.9080       87.57600 211.7581       
119.4234 32.52062       128.8110 28.95395 8.935593 19.98476 8.569768 8.969189 
12.38086 
1 1 1 13  -22 9  o 31.34475 6.762840  258.3712       105.4876 369.3621       
145.2836 134.6134       153.4120 37.72498 9.234872 24.96452 9.882365 12.76045 
13.52568 
1 1 1 13  -22 10 o 38.55271 6.374848  399.3414       110.0852 564.0371       
152.0778 218.0419       159.5596 48.50860 7.467376 28.59682 10.33407 19.91177 
12.74970 
1 1 1 13  -22 11 o 24.14488 6.541741  126.7439       105.8397 222.6161       
130.3688 -58.61455      181.2731 28.71887 9.395150 19.57088 9.105420 9.147993 
13.08348 
1 1 1 13  -22 12 o 22.65709 6.654381  106.6166       102.1393 126.2687       
122.7071 62.28431       184.3004 22.98276 8.903269 22.33142 9.892166 0.6513405 
13.30876 
1 1 1 13  -22 13 o 24.43992 6.999019  158.8444       107.7615 145.4752       
133.2596 184.1066       183.1811 23.48654 9.237867 25.39329 10.51698 -1.906750 
13.99804 
1 1 1 13  -22 14 o 20.55994 6.575411  42.59611       119.1628 -2.845986      
153.4995 111.5178       189.0409 18.51833 8.523909 22.60155 10.01435 -4.083223 
13.15082 
1 1 1 13  -21 0  o 35.33005 6.129909  284.2378       88.98980 252.6651       
114.4288 332.5550       141.5567 33.00518 8.267754 37.65491 9.052480 -4.649731 
12.25982 
1 1 1 13  -21 1  o 65.53064 3.939104  932.7186       106.9532 948.3921       
141.1593 911.5933       163.8806 66.35239 5.067270 64.70889 6.032324 1.643509 
7.878208 
1 1 1 13  -21 2  o 23.58848 6.316721  98.87057       87.69228 135.2488       
118.7870 55.29926       130.0016 25.34484 8.940458 21.83212 8.925920 3.512718 
12.63344 
1 1 1 13  -21 3  o 70.92351 4.028194  1074.921       116.1549 1013.952       
145.3543 1182.648       193.2125 68.47357 5.056221 73.37345 6.272163 -4.899879 
8.056389 
1 1 1 13  -21 4  o 28.20382 6.441010  179.0144       88.72687 124.7385       
121.5341 240.9571       129.8343 24.67970 9.009083 31.72795 9.207763 -7.048244 
12.88202 
1 1 1 13  -21 5  o 75.87911 3.907480  1262.919       120.3897 1273.057       
152.6613 1246.242       195.7882 76.68938 4.741490 75.06884 6.212234 1.620544 
7.814959 
1 1 1 13  -21 6  o 42.17596 5.763409  438.0730       97.91529 587.6075       
134.1613 267.6411       143.2293 51.42802 6.213674 32.92389 9.708645 18.50413 
11.52682 
1 1 1 13  -21 7  o 29.02324 6.193440  199.0567       96.31836 329.8111       
127.2295 23.51131       147.4193 36.94348 8.391936 21.10300 9.110994 15.84048 
12.38688 
1 1 1 13  -21 8  o 26.65033 6.839588  160.8299       98.02213 144.3889       
129.0066 183.2870       150.7731 25.43276 9.282116 27.86790 10.04799 -2.435137 
13.67918 
1 1 1 13  -21 9  o 41.23663 6.185991  414.2283       106.1993 308.2939       
144.7174 537.8477       156.3311 34.63028 9.617197 47.84298 7.783023 -13.21270 
12.37198 
1 1 1 13  -21 10 o 33.87943 6.920583  299.6036       103.9489 268.9060       
142.1037 334.9355       152.4532 32.08252 9.716516 35.67635 9.857341 -3.593838 
13.84117 
1 1 1 13  -21 11 o 41.19748 6.141314  435.7296       103.7048 494.2259       
137.8996 359.5812       157.3363 45.81852 7.168743 36.57644 9.973568 9.242085 
12.28263 
1 1 1 13  -21 12 o 34.97475 6.909684  326.8464       104.7752 282.9037       
138.2469 386.1497       160.6023 32.40710 9.532576 37.54241 10.00525 -5.135307 
13.81937 
1 1 1 13  -21 13 o 61.31339 5.358205  832.2642       126.8927 704.8454       
148.6662 1174.217       243.5444 54.70371 6.473161 67.92308 8.540471 -13.21937 
10.71641 
1 1 1 13  -21 14 o 29.87640 7.475254  278.5138       121.1520 322.2424       
154.6781 209.1070       194.8709 32.84318 10.17612 26.90962 10.95282 5.933556 
14.95051 
1 1 1 13  -21 15 o 24.48716 7.677677  156.0022       153.5173 134.5339       
271.8737 166.0514       186.0092 24.53238 11.31240 24.44194 10.38347 
0.9043884E-01  15.35535 
1 1 1 13  -20 0  o 112.6823 3.712816  2740.179       172.1700 2827.098       
224.6325 2616.412       268.0516 115.1129 4.648039 110.2518 5.791004 4.861115 
7.425631 
1 1 1 13  -20 1  o 22.96992 6.093875  63.79016       84.05476 -14.42807      
110.1662 172.7599       130.0311 17.78624 7.778244 28.15360 9.382974 -10.36736 
12.18775 
1 1 1 13  -20 2  o 47.21144 5.397077  534.9528       97.17238 680.0684       
128.5905 341.7708       148.3663 56.20062 5.449904 38.22225 9.317312 17.97837 
10.79415 
1 1 1 13  -20 3  o 34.73310 6.026964  281.0008       86.65446 286.7443       
114.4173 273.2750       132.7013 35.30325 7.916120 34.16296 9.090226 1.140289 
12.05393 
1 1 1 13  -20 4  o 38.06959 5.704893  340.0999       97.95091 585.8692       
139.5779 101.6189       137.4927 51.75018 6.424299 24.38900 9.429295 27.36118 
11.40979 
1 1 1 13  -20 5  o 84.51173 3.861900  1573.974       131.6954 1649.756       
167.4504 1451.094       213.2291 87.63931 4.551016 81.38416 6.240619 6.255157 
7.723799 
1 1 1 13  -20 6  o 76.27570 3.832403  1260.336       120.8564 1236.619       
157.2231 1294.590       188.9513 75.62157 4.952126 76.92982 5.850273 -1.308258 
7.664805 
1 1 1 13  -20 7  o 73.18144 3.942784  1172.715       120.9923 1209.833       
169.0036 1133.688       173.2950 74.45912 5.406289 71.90376 5.740578 2.555367 
7.885569 
1 1 1 13  -20 8  o 44.42969 5.680844  466.7507       101.2890 500.2549       
133.3879 421.1192       155.6677 47.24751 6.724476 41.61186 9.158023 5.635651 
11.36169 
1 1 1 13  -20 9  o 27.37581 6.823352  174.6698       98.65228 203.3725       
130.3136 136.1366       150.9895 28.96562 9.391914 25.78600 9.900731 3.179625 
13.64670 
1 1 1 13  -20 10 o 33.11029 6.376409  274.7142       98.49552 141.7080       
141.3459 400.2668       137.3284 25.58836 9.650385 40.63223 8.336931 -15.04387 
12.75282 
1 1 1 13  -20 11 o 36.69715 6.247409  351.8541       102.1310 465.5866       
135.4562 202.0228       155.4741 44.82336 7.198061 28.57094 10.21315 16.25242 
12.49482 
1 1 1 13  -20 12 o 32.03647 7.106031  269.6793       106.5092 234.2378       
145.0192 311.1867       156.9397 29.97478 9.908996 34.09817 10.18796 -4.123392 
14.21206 
1 1 1 13  -20 13 o 25.51887 7.153579  104.0626       110.8179 276.5317       
195.5615 22.48613       134.4962 31.32992 11.42892 19.70781 8.606658 11.62211 
14.30716 
1 1 1 13  -20 14 f 38.39451 7.966429  440.7961       140.8423 345.2302       
203.5286 528.6113       195.1007 33.67846 11.71985 43.11055 10.79356 -9.432095 
15.93286 
1 1 1 13  -20 15 o 88.22958 6.868646  2061.817       247.9779 2371.536       
405.8709 1877.336       313.2425 91.56181 10.55832 84.89736 8.788355 6.664452 
13.73729 
1 1 1 13  -20 16 f 20.64059 6.724308  -1.180052      138.3155 -100.6733      
203.4591 84.31155       188.6001 18.89554 9.047550 22.38565 9.950230 -3.490116 
13.44862 
1 1 1 13  -20 17 o 22.26221 7.092253  89.44220       140.5407 133.2813       
205.7390 51.08886       192.4364 23.40918 10.40020 21.11523 9.645517 2.293947 
14.18451 
1 1 1 13  -19 0  o 29.20151 6.229040  192.8783       87.20911 255.8808       
113.7151 102.9065       135.8914 33.58419 8.138583 24.81883 9.432243 8.765354 
12.45808 
1 1 1 13  -19 1  o 53.41736 5.276240  684.3307       103.2668 813.1426       
130.1248 465.1928       169.7231 61.73526 5.020512 45.09946 9.281664 16.63579 
10.55248 
1 1 1 13  -19 2  o 75.39491 3.825821  1192.704       117.6290 1119.422       
147.7033 1319.773       194.4965 72.43800 4.856740 78.35181 5.912673 -5.913811 
7.651642 
1 1 1 13  -19 3  o 52.89480 4.522632  614.0180       98.36825 661.3705       
130.1562 550.9430       150.2180 55.49279 5.586624 50.29680 7.113819 5.195992 
9.045263 
1 1 1 13  -19 4  o 44.33986 5.972376  458.3244       106.3253 535.1340       
141.4827 358.6565       161.1660 49.57489 6.797712 39.10482 9.821824 10.47007 
11.94475 
1 1 1 13  -19 5  o 59.70390 4.524431  766.9408       110.5693 738.2748       
140.4090 813.7364       179.3967 58.46143 5.720666 60.94637 7.011125 -2.484940 
9.048862 
1 1 1 13  -19 6  o 45.70843 5.174296  473.0999       95.42687 518.1931       
129.0359 418.6682       141.7690 48.74246 6.305565 42.67439 8.205681 6.068073 
10.34859 
1 1 1 13  -19 7  o 81.82734 4.108210  1489.941       137.6386 1698.108       
185.1571 1232.840       205.7716 88.75166 4.969182 74.90302 6.543454 13.84863 
8.216420 
1 1 1 13  -19 8  o 52.96329 4.695621  623.6018       103.3011 725.4732       
146.4489 522.7238       145.7332 57.51554 6.064877 48.41103 7.170266 9.104511 
9.391243 
1 1 1 13  -19 9  f 86.17164 4.030771  1631.072       145.4493 1714.169       
202.5304 1542.569       209.0157 88.60280 5.444574 83.74048 5.945172 4.862320 
8.061543 
1 1 1 13  -19 10 o 72.13566 4.012620  1147.199       120.2914 1158.317       
159.8560 1132.686       182.6487 72.79112 5.230841 71.48019 6.086280 1.310928 
8.025241 
1 1 1 13  -19 11 o 89.60770 4.708693  1793.384       167.4750 1756.100       
205.4078 1867.315       289.2500 89.23443 5.482840 89.98098 7.656737 
-0.7465515     9.417385 
1 1 1 13  -19 12 o 30.12634 7.611887  229.3311       122.7289 172.4881       
201.2729 262.9752       154.8466 28.27191 11.27906 31.98076 10.22478 -3.708845 
15.22377 
1 1 1 13  -19 13 o 24.58039 7.249883  99.47272       124.2288 75.78601       
192.3672 116.4182       162.7065 24.38332 10.46488 24.77745 10.03641 
-0.3941288     14.49977 
1 1 1 13  -19 14 o 31.65329 7.145585  270.5799       124.7561 64.00718       
195.5797 412.2942       161.9922 23.83908 10.39503 39.46749 9.807181 -15.62841 
14.29117 
1 1 1 13  -19 15 o 36.20791 7.831897  348.5298       130.7095 546.1008       
215.2668 233.1472       164.5075 43.14563 11.62217 29.27020 10.50141 13.87543 
15.66379 
1 1 1 13  -19 16 o 27.22556 7.628565  183.3667       140.6016 32.51403       
210.9331 303.9856       188.6148 22.74225 10.29779 31.70888 11.25769 -8.966623 
15.25713 
1 1 1 13  -19 17 o 32.11632 7.758479  300.4010       142.9874 551.7928       
212.0880 90.92007       193.6033 41.18934 11.70921 23.04330 10.18187 18.14604 
15.51696 
1 1 1 13  -19 18 o 20.58212 6.686585  22.30976       132.9397 -37.12817      
181.8837 90.48195       194.7894 18.91681 8.886121 22.24743 9.993926 -3.330620 
13.37317 
1 1 1 13  -18 0  o 128.0587 4.671915  3376.420       226.2561 3201.480       
264.3682 3855.358       437.4250 122.6684 5.133314 133.4491 7.807447 -10.78072 
9.343829 
1 1 1 13  -18 1  o 184.8248 4.528531  7377.942       334.0563 7492.049       
414.9156 7167.682       563.2247 187.5166 5.270368 182.1330 7.365704 5.383682 
9.057062 
1 1 1 13  -18 2  o 70.13358 4.013246  991.5877       113.4799 851.8488       
138.8603 1272.565       196.9042 63.21315 5.232287 77.05402 6.086685 -13.84086 
8.026491 
1 1 1 13  -18 3  o 40.80412 5.620471  384.0638       92.56850 474.2605       
124.9541 274.3503       137.8115 46.96363 6.337385 34.64460 9.284200 12.31903 
11.24094 
1 1 1 13  -18 4  o 100.5103 3.990886  2161.246       167.2376 2519.747       
242.3978 1835.581       231.0307 108.5676 5.318013 92.45301 5.952094 16.11463 
7.981772 
1 1 1 13  -18 5  o 67.50055 3.951927  993.4568       109.6957 1193.196       
153.0351 782.3762       157.3200 74.76855 4.875209 60.23255 6.221192 14.53600 
7.903853 
1 1 1 13  -18 6  o 78.56322 3.851829  1331.569       126.3508 1465.179       
176.8709 1192.326       180.5601 82.71786 5.093053 74.40858 5.779893 8.309280 
7.703658 
1 1 1 13  -18 7  o 23.54603 6.311260  44.79055       92.11524 -54.64102      
117.6167 202.5365       148.1446 16.95444 7.682688 30.13762 10.01520 -13.18318 
12.62252 
1 1 1 13  -18 8  o 16.72467 5.396411  -66.31426      84.64771 -62.97434      
116.2218 -70.08755      123.5322 16.53052 7.533740 16.91882 7.728374 
-0.3883018     10.79282 
1 1 1 13  -18 9  o 94.54457 4.097376  1959.833       161.2644 2113.790       
220.6599 1783.334       236.2635 98.82465 5.318378 90.26450 6.234487 8.560143 
8.194753 
1 1 1 13  -18 10 o 74.54356 4.931046  1242.259       153.4617 1145.812       
222.3991 1329.920       212.0273 71.49625 7.409192 77.59087 6.508821 -6.094612 
9.862093 
1 1 1 13  -18 11 o 27.98630 7.287127  153.2734       108.7714 243.8280       
186.9564 106.9368       133.7357 31.88219 11.21926 24.09040 9.302527 7.791794 
14.57425 
1 1 1 13  -18 12 o 57.21871 5.310518  741.1614       126.6873 872.0864       
188.3215 632.9322       171.2225 61.95732 7.239828 52.48010 7.771184 9.477215 
10.62104 
1 1 1 13  -18 13 o 69.95805 5.649203  1130.867       155.7460 1175.923       
271.5946 1108.791       190.1102 69.76077 9.273230 70.15533 6.454547 
-0.3945618     11.29841 
1 1 1 13  -18 14 o 26.68674 7.287777  129.9575       110.2281 257.8073       
196.5037 71.25765       133.1495 31.46159 11.45843 21.91189 9.008391 9.549698 
14.57555 
1 1 1 13  -18 15 o 28.11364 7.354946  132.7486       122.8259 374.0921       
201.7017 -9.490964      154.8466 36.24611 11.67784 19.98117 8.944771 16.26493 
14.70989 
1 1 1 13  -18 16 o 28.26660 6.647045  206.4467       116.7481 -99.41535      
210.4474 342.4288       140.3207 20.40170 9.578511 36.13150 9.218729 -15.72980 
13.29409 
1 1 1 13  -18 17 o 30.81706 8.119943  279.6792       144.2614 207.6067       
210.8814 343.0754       197.7812 28.03481 11.39954 33.59930 11.56652 -5.564487 
16.23989 
1 1 1 13  -18 18 o 53.34774 6.145066  744.5044       137.6131 760.9036       
195.9912 728.5582       193.2661 53.97779 8.648537 52.71769 8.732133 1.260101 
12.29013 
1 1 1 13  -18 19 o 30.09003 7.651039  286.7063       126.5021 430.3040       
193.9952 180.4734       166.8579 35.24847 11.46073 24.93159 10.13929 10.31688 
15.30208 
1 1 1 13  -17 0  o 17.34540 5.561787  -69.59773      85.43322 -88.98310      
109.2900 -39.13993      136.9912 15.39084 7.125689 19.29997 8.541572 -3.909133 
11.12357 
1 1 1 13  -17 1  o 180.5562 5.222573  7107.855       365.1804 7283.890       
442.2106 6730.397       647.5361 184.9733 5.694312 176.1391 8.756476 8.834244 
10.44515 
1 1 1 13  -17 2  o 48.90773 4.828248  499.6232       97.82995 423.6439       
126.8773 611.0309       153.6363 44.44639 6.799370 53.36908 6.856857 -8.922688 
9.656496 
1 1 1 13  -17 3  o 137.8750 3.849044  4068.144       216.8893 4133.245       
278.0608 3966.998       346.5952 139.5324 4.746634 136.2176 6.060529 3.314880 
7.698087 
1 1 1 13  -17 4  o 39.96069 5.698344  359.0045       93.11002 399.5400       
125.2891 309.0005       139.1546 43.07184 6.928525 36.84953 9.048758 6.222309 
11.39669 
1 1 1 13  -17 5  o 103.2099 3.690468  2268.312       159.4425 2232.179       
216.5904 2311.057       235.5757 102.3681 5.039593 104.0516 5.392654 -1.683510 
7.380936 
1 1 1 13  -17 6  o 95.53039 3.875914  1960.275       150.9043 1988.334       
192.5374 1915.588       242.9800 96.64235 4.745354 94.41843 6.129638 2.223923 
7.751829 
1 1 1 13  -17 7  o 98.47520 3.812261  2066.024       149.9326 2042.407       
185.0435 2111.162       255.8245 97.95473 4.499555 98.99567 6.155269 -1.040947 
7.624522 
1 1 1 13  -17 8  o 47.71292 5.574681  510.9166       107.8787 539.2175       
145.2448 476.0939       161.1132 49.76484 6.951827 45.66100 8.716673 4.103840 
11.14936 
1 1 1 13  -17 9  o 18.95090 6.134658  -86.59834      110.0613 -126.2372      
164.3972 -54.40050      148.1655 18.59779 8.659840 19.30402 8.691564 
-0.7062359     12.26932 
1 1 1 13  -17 10 o 61.26893 5.504987  821.0271       139.5173 919.5740       
221.0287 755.7561       179.8819 64.07411 8.216505 58.46375 7.328613 5.610363 
11.00997 
1 1 1 13  -17 11 o 73.96376 5.290466  1196.269       161.1076 1350.466       
259.6024 1099.684       205.4598 77.45333 7.983432 70.47418 6.944129 6.979149 
10.58093 
1 1 1 13  -17 12 o 31.17807 7.381096  232.3030       111.5332 195.4704       
195.5079 250.0733       135.7988 30.11718 11.35227 32.23896 9.436539 -2.121784 
14.76219 
1 1 1 13  -17 13 o 31.37558 7.628276  240.3733       121.2078 203.0946       
197.5779 262.8690       153.4821 30.13560 11.39659 32.61556 10.14298 -2.479954 
15.25655 
1 1 1 13  -17 14 o 19.31269 6.205121  -67.28359      111.1801 13.70496       
164.1268 -135.9622      151.1397 21.68840 9.489267 16.93698 7.997994 4.751427 
12.41024 
1 1 1 13  -17 15 o 22.62058 6.590252  62.14658       109.0107 -120.2288      
194.8927 145.1827       131.5061 19.78518 9.276163 25.45598 9.363679 -5.670805 
13.18050 
1 1 1 13  -17 16 o 40.72529 7.394112  465.3806       130.3607 335.1190       
209.8360 547.2550       166.3587 34.50182 11.91025 46.94876 8.765698 -12.44695 
14.78822 
1 1 1 13  -17 17 o 42.91481 7.355317  466.7967       126.5390 636.5674       
217.6814 380.1494       155.5132 47.99552 11.02806 37.83411 9.735736 10.16141 
14.71063 
1 1 1 13  -17 18 o 24.93291 6.990579  138.3946       116.6926 -7.333841      
204.9121 208.3375       141.9604 21.90572 9.988847 27.96011 9.782418 -6.054386 
13.98116 
1 1 1 13  -17 19 o 20.70398 6.605971  14.52945       122.3120 -0.4067988     
179.0647 27.59366       167.4676 20.57095 9.368750 20.83700 9.315682 
-0.2660465     13.21194 
1 1 1 13  -17 20 f 32.20174 7.618347  352.8831       137.9317 166.9861       
213.1487 486.8130       180.9195 24.99266 10.87492 39.41081 10.67206 -14.41815 
15.23669 
1 1 1 13  -17 21 o 49.34641 7.361268  784.7463       148.9567 606.1783       
229.1382 915.4385       196.0289 40.16721 12.37353 58.52561 7.978022 -18.35840 
14.72254 
1 1 1 13  -16 0  o 194.8267 6.253197  8161.143       509.4637 8277.570       
756.8734 8064.689       688.8956 195.8952 9.202812 193.7582 8.468656 2.136993 
12.50639 
1 1 1 13  -16 1  o 64.27727 5.185936  875.3327       139.9470 875.3327       
139.9470 0.000000       0.000000 64.27727 5.185936 ?        ?        ? ? 
1 1 1 13  -16 2  o 38.13046 6.362695  330.5479       99.90403 361.7976       
132.6437 289.5818       151.8715 40.34861 8.115608 35.91231 9.801655 4.436298 
12.72539 
1 1 1 13  -16 3  f 159.7842 4.387273  5448.159       293.4730 5534.956       
402.1299 5349.253       429.2648 161.2483 5.940081 158.3201 6.458181 2.928146 
8.774547 
1 1 1 13  -16 4  o 30.54224 6.357626  205.7554       92.44062 288.9670       
125.1089 105.7035       137.1857 35.85736 8.441002 25.22711 9.509319 10.63025 
12.71525 
1 1 1 13  -16 5  o 87.61882 3.955467  1600.491       137.8048 1530.142       
167.9924 1745.209       240.9479 84.92684 4.711570 90.31079 6.354839 -5.383949 
7.910933 
1 1 1 13  -16 6  o 132.3361 3.908348  3763.049       214.4355 3941.851       
286.0240 3533.564       324.0357 136.1410 5.004202 128.5313 6.004890 7.609695 
7.816697 
1 1 1 13  -16 7  o 81.76720 3.919281  1418.789       132.4076 1377.547       
171.5127 1479.625       208.3113 80.41867 5.079963 83.11572 5.969676 -2.697044 
7.838562 
1 1 1 13  -16 8  o 141.8024 5.898162  4379.380       344.7327 4542.052       
545.3017 4271.085       444.9222 143.4546 9.054064 140.1502 7.561561 3.304352 
11.79632 
1 1 1 13  -16 9  o 74.19656 4.620244  1163.834       142.1495 1367.337       
223.4161 1025.419       184.2558 79.47139 6.696143 68.92172 6.367753 10.54967 
9.240487 
1 1 1 13  -16 10 o 144.8659 5.815067  4622.674       352.8906 4921.143       
520.6386 4369.020       479.9645 149.0900 8.317807 140.6418 8.128598 8.448196 
11.63013 
1 1 1 13  -16 11 o 58.83061 5.421428  768.4453       129.9401 750.8892       
208.8227 779.5380       165.9902 57.89901 8.590683 59.76221 6.615715 -1.863205 
10.84286 
1 1 1 13  -16 12 o 42.71568 6.897702  449.3701       117.8341 361.0315       
206.5001 492.0224       143.4883 38.29779 11.73601 47.13356 7.251158 -8.835762 
13.79540 
1 1 1 13  -16 13 o 28.59386 6.487951  74.33077       109.3553 406.8168       
178.5457 -125.2711      138.3391 40.69373 10.40839 16.49399 7.748514 24.19974 
12.97590 
1 1 1 13  -16 14 o 73.57313 5.063923  1216.634       152.0647 1216.485       
244.5024 1216.729       194.1908 72.98103 7.979841 74.16523 6.236620 -1.184204 
10.12785 
1 1 1 13  -16 15 o 33.86567 7.533223  250.5851       124.8300 468.0520       
203.2064 118.7825       158.1987 42.37261 11.23699 25.35873 10.03632 17.01388 
15.06645 
1 1 1 13  -16 16 o 43.65328 7.207389  474.1622       128.8709 600.9330       
201.7007 386.7133       167.5232 48.55748 10.21622 38.74909 10.16930 9.808392 
14.41478 
1 1 1 13  -16 17 o 67.31049 5.692575  1088.206       156.6335 1001.418       
243.0681 1149.838       204.8333 63.95163 9.053102 70.66936 6.903837 -6.717728 
11.38515 
1 1 1 13  -16 18 o 68.33832 5.972062  1148.701       165.4570 1092.096       
264.1382 1185.255       212.2606 65.53933 9.599536 71.13730 7.107111 -5.597969 
11.94412 
1 1 1 13  -16 19 o 39.94827 7.274527  433.1709       132.9902 681.0098       
198.2920 230.5497       179.2928 50.79506 9.647107 29.10147 10.89074 21.69358 
14.54905 
1 1 1 13  -16 20 o 31.14582 8.130146  289.6018       137.1686 352.7033       
222.8858 251.1325       174.0281 32.92190 12.17793 29.36975 10.77474 3.552153 
16.26029 
1 1 1 13  -16 21 o 30.09565 8.017681  303.7527       136.6952 316.3952       
218.1492 295.5796       175.4008 30.01070 11.81458 30.18059 10.84199 
-0.1698856     16.03536 
1 1 1 13  -16 22 o 19.84787 6.685979  -34.46205      147.4346 -181.6404      
287.4092 18.09855       171.7548 19.99738 9.847969 19.69836 9.045815 0.2990150 
13.37196 
1 1 1 13  -15 0  o 158.6692 5.399834  5340.133       328.8942 5294.077       
391.9469 5449.745       604.6608 158.0338 5.907429 159.3047 9.040748 -1.270950 
10.79967 
1 1 1 13  -15 1  o 65.93864 4.254872  886.6915       114.3035 785.7559       
142.3550 1069.861       191.7682 60.90976 5.566818 70.96752 6.436327 -10.05777 
8.509745 
1 1 1 13  -15 2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -15 3  o 126.4752 3.760500  3412.294       196.2285 3532.285       
257.5279 3246.184       303.0031 129.2596 4.745505 123.6908 5.834864 5.568825 
7.521001 
1 1 1 13  -15 4  o 118.4822 3.582123  2987.502       176.2613 3083.139       
234.9761 2864.447       266.5390 120.7456 4.635251 116.2187 5.462680 4.526932 
7.164247 
1 1 1 13  -15 5  o 83.14204 4.139565  1494.549       141.7316 1641.754       
189.3944 1307.186       213.6719 87.99788 5.126441 78.28621 6.501045 9.711670 
8.279129 
1 1 1 13  -15 6  o 102.8977 4.411666  2243.645       185.3897 2193.924       
235.1335 2325.337       301.3947 101.5832 5.513324 104.2121 6.888720 -2.628876 
8.823333 
1 1 1 13  -15 7  o 37.01767 7.333956  310.7821       118.3451 323.5429       
172.7103 299.4873       162.4875 37.69622 10.51855 36.33912 10.22291 1.357109 
14.66791 
1 1 1 13  -15 8  o 118.9651 5.011066  3050.121       250.1991 3113.657       
352.1576 2985.359       355.5365 120.2644 6.974627 117.6657 7.197062 2.598671 
10.02213 
1 1 1 13  -15 9  o 89.11520 4.385884  1676.419       160.2602 1831.121       
260.3928 1582.090       203.3316 92.20000 6.726963 86.03039 5.629556 6.169617 
8.771769 
1 1 1 13  -15 10 o 106.9218 4.428662  2458.997       196.8620 2470.629       
300.1536 2450.216       260.7882 106.9606 6.684064 106.8829 5.811668 
0.7773590E-01  8.857325 
1 1 1 13  -15 11 o 116.6750 5.324315  2917.674       257.8971 3380.635       
403.1833 2597.077       335.5132 124.2307 7.730268 109.1193 7.323678 15.11147 
10.64863 
1 1 1 13  -15 12 o 34.63916 6.977861  255.6868       107.8863 407.9379       
175.0298 162.3976       137.0085 41.56849 10.11186 27.70983 9.618345 13.85866 
13.95572 
1 1 1 13  -15 13 o 100.7506 5.172728  2244.090       215.9364 2226.209       
331.9066 2257.213       284.3417 99.98219 7.907047 101.5190 6.671362 -1.536774 
10.34546 
1 1 1 13  -15 14 o 38.52259 7.172572  315.8087       114.4164 531.5943       
203.0381 215.3985       138.5018 46.68176 10.59933 30.36342 9.666304 16.31833 
14.34514 
1 1 1 13  -15 15 o 74.13385 4.788093  1239.577       146.5523 1079.065       
217.3558 1373.374       198.4453 69.20912 7.480471 79.05858 5.978785 -9.849457 
9.576185 
1 1 1 13  -15 16 o 40.17867 7.294386  365.6098       118.3378 560.5394       
212.0100 277.3948       142.6228 46.85844 10.96090 33.49891 9.627614 13.35953 
14.58877 
1 1 1 13  -15 17 o 36.05724 7.664799  340.3569       125.6026 318.8145       
181.4698 360.1674       174.0219 34.89366 11.06013 37.22081 10.61462 -2.327145 
15.32960 
1 1 1 13  -15 18 o 31.12126 7.813907  247.6577       125.0148 263.2791       
208.2359 238.8545       156.3200 31.72665 11.76388 30.51586 10.28784 1.210793 
15.62781 
1 1 1 13  -15 19 o 31.13348 7.587989  253.0144       135.6076 68.06979       
206.2740 393.7877       179.9633 24.43720 10.66546 37.82975 10.79622 -13.39256 
15.17598 
1 1 1 13  -15 20 o 57.05675 6.424206  826.6599       144.5594 571.8416       
197.3534 1121.661       212.3446 45.60195 10.51578 68.51154 7.382416 -22.90960 
12.84841 
1 1 1 13  -15 21 o 30.56572 7.733471  265.1429       134.5014 398.6561       
190.7746 133.1885       189.6577 36.16734 11.32051 24.96409 10.53909 11.20325 
15.46694 
1 1 1 13  -15 22 o 42.05509 8.265894  592.4385       152.4123 546.6000       
244.2972 621.6499       195.0204 38.35458 12.86104 45.75561 10.38719 -7.401035 
16.53179 
1 1 1 13  -15 23 o 20.52852 6.916232  -47.63844      169.8227 -269.1665      
296.2450 60.79105       207.2575 19.35994 9.606577 21.69711 9.952423 -2.337173 
13.83246 
1 1 1 13  -14 0  o 97.50494 3.308214  2024.464       132.7028 2100.213       
173.1913 1916.758       206.5166 99.79529 4.133682 95.21461 5.166215 4.580681 
6.616427 
1 1 1 13  -14 1  o 116.0051 3.917265  2869.861       189.0799 3059.646       
256.5829 2644.322       279.7103 120.3100 5.079805 111.7003 5.964515 8.609673 
7.834530 
1 1 1 13  -14 2  o 146.1979 4.158774  4494.641       241.7222 4423.253       
296.3866 4636.442       417.7225 144.6906 4.879095 147.7052 6.736174 -3.014542 
8.317548 
1 1 1 13  -14 3  o 67.35921 4.180772  965.9748       113.9706 978.2008       
143.7889 945.3130       186.9259 68.02425 5.034807 66.69418 6.675787 1.330063 
8.361544 
1 1 1 13  -14 4  o 85.49039 4.787643  1544.340       171.8375 1544.340       
171.8375 0.000000       0.000000 85.49039 4.787643 ?        ?        ? ? 
1 1 1 13  -14 5  o 68.63662 4.143236  1005.853       117.8540 1045.564       
156.5718 953.9408       179.0154 70.27388 5.306898 66.99936 6.364154 3.274521 
8.286472 
1 1 1 13  -14 6  o 57.28484 5.267328  674.9897       118.4244 1020.082       
189.6822 454.5530       151.6007 69.22083 6.526959 45.34885 8.269086 23.87197 
10.53466 
1 1 1 13  -14 7  o 127.4688 5.125485  3495.074       271.5462 3615.445       
363.3045 3342.707       408.7483 130.1633 6.648185 124.7743 7.802823 5.389015 
10.25097 
1 1 1 13  -14 8  o 117.6718 4.338486  2952.797       214.2637 2948.460       
299.1489 2957.365       307.0342 117.6060 6.058692 117.7375 6.211448 
-0.1315231     8.676972 
1 1 1 13  -14 9  o 41.98490 7.057974  422.1747       125.4602 267.4178       
206.1665 513.1879       158.1049 35.21857 11.81479 48.75123 7.724687 -13.53265 
14.11595 
1 1 1 13  -14 10 o 73.82938 4.804543  1117.320       145.0958 1442.680       
240.4650 931.0372       181.9518 81.82645 6.999695 65.83229 6.583220 15.99416 
9.609085 
1 1 1 13  -14 11 o 105.9575 4.970002  2426.076       221.0584 2374.947       
309.9348 2479.019       315.3841 104.8152 7.043157 107.0998 7.014102 -2.284668 
9.940004 
1 1 1 13  -14 12 o 35.73870 7.194281  284.6730       113.5512 378.6569       
174.9208 216.2220       149.2810 40.28813 10.30074 31.18927 10.04617 9.098854 
14.38856 
1 1 1 13  -14 13 o 38.53197 7.289728  343.5743       116.7015 368.7271       
196.0876 329.7786       145.2206 39.37753 11.27961 37.68642 9.237474 1.691109 
14.57946 
1 1 1 13  -14 14 o 75.51255 5.410807  1294.749       166.1212 1061.513       
251.9480 1474.128       220.9532 68.75285 8.728534 82.27225 6.396877 -13.51941 
10.82161 
1 1 1 13  -14 15 o 35.54659 7.419123  298.5219       116.9106 348.3906       
183.2316 264.2800       151.8326 37.76639 10.93156 33.32680 10.03367 4.439590 
14.83825 
1 1 1 13  -14 16 o 42.73554 7.430430  430.3642       135.1680 643.5947       
210.4652 280.6709       176.3424 51.56647 10.08109 33.90461 10.91865 17.66186 
14.86086 
1 1 1 13  -14 17 o 53.03351 6.090774  665.0260       131.1283 585.6433       
189.1184 738.5248       181.9747 49.10945 9.512047 56.95757 7.609931 -7.848118 
12.18155 
1 1 1 13  -14 18 o 38.51804 7.958659  388.2610       135.5003 417.1249       
208.8261 367.2712       178.0785 39.43420 11.74590 37.60188 10.74219 1.832314 
15.91732 
1 1 1 13  -14 19 o 58.04160 6.599738  844.1085       152.0728 640.6141       
217.6997 1038.036       212.5206 49.36379 10.80110 66.71941 7.586996 -17.35562 
13.19948 
1 1 1 13  -14 20 o 30.17725 7.701900  230.8358       137.7088 65.70501       
210.4595 354.4661       182.1029 24.57854 10.74971 35.77597 11.03271 -11.19743 
15.40380 
1 1 1 13  -14 21 o 45.50940 7.823762  597.1610       150.5909 471.2691       
222.7689 703.1016       204.3557 39.36766 12.21518 51.65113 9.779286 -12.28346 
15.64752 
1 1 1 13  -14 22 o 33.54619 7.779964  326.3193       132.9225 201.9763       
181.4638 470.2800       195.2546 27.41046 10.78038 39.68192 11.22029 -12.27146 
15.55993 
1 1 1 13  -14 23 o 40.71063 8.258193  542.1538       147.4742 528.0554       
192.9255 561.9722       228.7379 41.21817 10.95737 40.20308 12.35828 1.015091 
16.51639 
1 1 1 13  -14 24 o 30.72940 8.561196  390.2644       179.1105 213.2747       
290.6899 498.5804       227.4062 25.81425 11.81819 35.64455 12.38978 -9.830301 
17.12239 
1 1 1 13  -13 0  o 27.12158 6.373173  131.4379       85.67976 72.66015       
109.1043 226.0063       138.3911 22.07207 8.433123 32.17110 9.557812 -10.09903 
12.74635 
1 1 1 13  -13 1  o 69.89952 3.707614  1023.879       107.0559 983.0320       
138.2837 1084.984       169.1326 68.21505 4.828495 71.58398 5.627722 -3.368935 
7.415229 
1 1 1 13  -13 2  o 112.5856 3.533638  2684.997       164.2333 2713.796       
214.2762 2643.988       255.6971 113.3905 4.501097 111.7808 5.448532 1.609657 
7.067275 
1 1 1 13  -13 3  o 124.9899 4.060393  3240.710       206.0401 3057.192       
257.0745 3570.345       344.5362 120.2613 5.091599 129.7186 6.326358 -9.457298 
8.120787 
1 1 1 13  -13 4  o 72.66434 4.017089  1142.543       119.1567 1250.109       
156.2567 993.0733       184.1950 76.92725 4.838154 68.40142 6.414070 8.525826 
8.034179 
1 1 1 13  -13 5  o 133.6644 7.210533  3803.913       404.6336 0.000000       
0.000000 3803.913       404.6336 ?        ?        133.6644 7.210533 ? ? 
1 1 1 13  -13 6  o 120.4783 4.638068  3080.627       230.9272 3104.540       
360.2871 3063.954       300.8510 120.7481 7.107055 120.2085 5.961249 0.5395355 
9.276136 
1 1 1 13  -13 7  o 97.60851 4.428019  2026.223       181.2066 1956.408       
260.1487 2092.018       252.5497 95.93680 6.458885 99.28021 6.059061 -3.343414 
8.856038 
1 1 1 13  -13 8  o 120.7539 4.609704  3104.752       233.6761 3061.076       
330.7435 3148.284       330.1930 119.8924 6.570837 121.6154 6.466960 -1.723053 
9.219408 
1 1 1 13  -13 9  o 136.0657 5.543692  3969.564       315.7820 4405.551       
457.1133 3571.558       436.7487 143.2927 7.598377 128.8387 8.074327 14.45398 
11.08738 
1 1 1 13  -13 10 o 89.60995 4.423687  1685.024       163.7821 1877.791       
260.5725 1559.131       210.5787 93.68130 6.625165 85.53860 5.863721 8.142700 
8.847375 
1 1 1 13  -13 11 o 22.04015 6.669060  6.671372       107.8183 7.065570       
171.6369 6.414426       138.5714 23.15054 9.908633 20.92977 8.928854 2.220772 
13.33812 
1 1 1 13  -13 12 o 43.05534 6.630770  408.9680       114.2037 495.2036       
185.4403 356.2768       144.9539 46.53010 9.800298 39.58059 8.934351 6.949512 
13.26154 
1 1 1 13  -13 13 o 84.93323 4.962870  1574.843       175.3226 1428.585       
257.6571 1700.952       239.2518 81.01598 7.575172 88.85046 6.413817 -7.834480 
9.925739 
1 1 1 13  -13 14 o 66.27666 5.364796  960.5794       146.7546 965.1232       
229.3779 957.4307       190.9509 66.15950 8.258106 66.39382 6.850388 
-0.2343216     10.72959 
1 1 1 13  -13 15 o 50.76189 6.423697  596.8862       131.7720 483.1098       
190.5358 701.1943       182.4356 45.16722 10.27632 56.35655 7.710568 -11.18932 
12.84739 
1 1 1 13  -13 16 o 19.47569 6.431676  -142.4016      130.4866 -183.5358      
198.9393 -111.3426      172.8671 19.54848 9.214957 19.40290 8.974988 0.1455822 
12.86335 
1 1 1 13  -13 17 o 22.12187 6.852407  -11.42767      123.7088 50.80258       
174.5824 -74.18586      175.3214 23.94050 10.10949 20.30324 9.253119 3.637266 
13.70481 
1 1 1 13  -13 18 o 50.45682 7.100090  623.9306       146.0857 579.8583       
220.9962 658.1345       194.6882 47.71582 11.20978 53.19782 8.716995 -5.481995 
14.20018 
1 1 1 13  -13 19 o 42.62885 7.223302  483.7643       135.6454 292.9392       
210.1920 619.9545       177.5707 33.69448 11.89208 51.56323 8.202615 -17.86875 
14.44660 
1 1 1 13  -13 20 o 79.33850 5.257853  1455.345       174.8541 1360.351       
239.9243 1562.953       255.3587 76.55649 7.464717 82.12051 7.406621 -5.564018 
10.51571 
1 1 1 13  -13 21 o 24.96621 7.138979  97.91026       129.7910 -104.7936      
211.4093 220.5282       164.4258 20.64366 9.675527 29.28875 10.49973 -8.645090 
14.27796 
1 1 1 13  -13 22 o 34.35848 7.615569  327.1897       123.1774 408.4099       
183.9648 261.1852       165.8401 37.93054 10.94510 30.78643 10.59209 7.144108 
15.23114 
1 1 1 13  -13 23 o 26.06701 7.523476  163.5760       130.8706 125.8529       
184.9458 201.4079       185.2123 24.69368 10.41528 27.44034 10.85968 -2.746658 
15.04695 
1 1 1 13  -13 24 o 30.69975 8.245974  320.4252       146.7989 329.3723       
209.4267 311.7827       205.8299 31.01383 11.73198 30.38567 11.59073 0.6281548 
16.49195 
1 1 1 13  -13 25 o 28.17711 7.950293  281.7240       169.1967 -26.51128      
286.8873 446.1157       209.5126 21.89246 10.54532 34.46176 11.90062 -12.56931 
15.90059 
1 1 1 13  -12 0  o 189.2391 6.051559  7693.150       457.6251 7765.141       
568.1360 7560.151       772.2120 191.0704 7.082391 187.4078 9.814540 3.662628 
12.10312 
1 1 1 13  -12 1  o 97.81528 3.561190  2018.608       139.7508 2010.149       
173.5744 2034.198       235.6308 97.62145 4.235078 98.00910 5.726467 
-0.3876495     7.122381 
1 1 1 13  -12 2  o 110.5257 3.586172  2524.696       160.0848 2382.846       
198.2872 2790.221       271.2892 106.2563 4.444890 114.7951 5.628985 -8.538795 
7.172344 
1 1 1 13  -12 3  o 38.53609 5.763465  329.1048       89.55606 347.5076       
114.0424 299.4991       144.6478 40.43678 6.717551 36.63540 9.367210 3.801376 
11.52693 
1 1 1 13  -12 4  o 96.25606 4.705000  1960.896       189.7442 2091.835       
279.4602 1848.908       258.4475 99.21616 6.709013 93.29596 6.598278 5.920204 
9.410001 
1 1 1 13  -12 5  o 80.95796 4.215539  1389.069       143.2720 1391.506       
201.5349 1386.579       203.7172 81.03463 5.923804 80.88129 5.999301 0.1533432 
8.431078 
1 1 1 13  -12 6  o 158.2336 5.606887  5363.927       370.2736 5549.067       
502.6819 5144.323       547.4724 161.3936 7.418702 155.0737 8.409018 6.319977 
11.21377 
1 1 1 13  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -12 8  o 98.51414 4.455956  2056.490       184.0904 2194.771       
266.4258 1930.155       254.6588 101.6879 6.240626 95.34039 6.362134 6.347496 
8.911911 
1 1 1 13  -12 9  o 130.0959 4.790350  3611.462       260.9942 3776.616       
362.4429 3433.589       376.1413 133.2701 6.477804 126.9217 7.058887 6.348450 
9.580701 
1 1 1 13  -12 10 o 56.66724 6.363718  775.1284       133.4963 493.2990       
216.5802 947.8098       169.5307 46.56694 11.19869 66.76754 6.047891 -20.20060 
12.72744 
1 1 1 13  -12 11 o 77.72424 5.028182  1297.211       160.0708 1279.958       
255.0039 1308.429       205.6301 77.11919 7.875996 78.32931 6.252930 -1.210121 
10.05636 
1 1 1 13  -12 12 o 24.72958 7.087525  56.04889       113.4856 113.3966       
178.4971 17.13984       147.0275 27.51752 10.72202 21.94163 9.272015 5.575891 
14.17505 
1 1 1 13  -12 13 o 60.51814 5.613804  792.5345       142.3372 866.5744       
207.4545 726.6782       195.6539 63.21063 7.817245 57.82564 8.059149 5.384987 
11.22761 
1 1 1 13  -12 14 o 39.19096 8.007757  358.3759       139.0142 339.3165       
207.7729 373.8226       187.0478 38.31461 11.77844 40.06730 10.85197 -1.752693 
16.01551 
1 1 1 13  -12 15 o 55.63539 6.068711  672.0318       140.4839 779.3925       
216.8574 594.3940       184.4115 59.36010 8.701632 51.91068 8.461596 7.449417 
12.13742 
1 1 1 13  -12 16 o 41.20592 7.353436  426.9866       130.4765 268.5595       
212.3994 523.0045       165.3540 34.54349 11.97717 47.86834 8.534611 -13.32485 
14.70687 
1 1 1 13  -12 17 o 45.58401 7.074496  494.8654       131.7227 471.0774       
187.0405 518.2725       185.5366 44.35735 10.24300 46.81068 9.760891 -2.453331 
14.14899 
1 1 1 13  -12 18 o 75.30202 5.227444  1250.245       163.9455 1489.280       
247.3319 1062.906       218.9600 81.74988 7.206329 68.85416 7.574529 12.89572 
10.45489 
1 1 1 13  -12 19 o 82.07800 5.240859  1518.586       180.3627 1620.996       
262.3462 1426.797       248.3701 84.72401 7.375463 79.43200 7.447747 5.292007 
10.48172 
1 1 1 13  -12 20 o 43.43992 7.547861  465.8819       136.9252 637.7095       
214.8763 348.4084       177.6692 50.15249 10.53928 36.72735 10.80761 13.42514 
15.09572 
1 1 1 13  -12 21 o 31.66826 7.804523  259.3604       134.3995 144.6901       
207.3960 342.3794       176.4671 27.41798 11.25256 35.91855 10.81768 -8.500570 
15.60905 
1 1 1 13  -12 22 o 50.67994 6.770575  657.0944       139.3850 495.0983       
195.2679 825.3862       199.0261 42.65911 10.86939 58.70076 8.075834 -16.04166 
13.54115 
1 1 1 13  -12 23 o 56.98085 5.469084  780.1241       130.1412 888.0584       
189.0098 682.8250       179.4565 61.05291 7.373930 52.90879 8.078904 8.144123 
10.93817 
1 1 1 13  -12 24 o 30.24377 8.012809  269.7218       139.8565 209.9617       
200.7652 326.0630       194.9375 27.85032 11.20312 32.63722 11.45908 -4.786903 
16.02562 
1 1 1 13  -12 25 o 23.29726 7.042902  117.2788       121.8032 149.3794       
181.7648 91.11484       164.0983 24.43787 10.31723 22.15665 9.589823 2.281221 
14.08580 
1 1 1 13  -12 26 o 28.67028 8.799889  333.3055       192.4684 426.1069       
307.6736 273.6420       246.6988 30.13468 13.08822 27.20588 11.76650 2.928791 
17.59978 
1 1 1 13  -11 0  o 92.56716 3.537061  1782.743       132.2965 1715.588       
164.5444 1905.528       222.4943 90.20385 4.344894 94.93047 5.582571 -4.726624 
7.074121 
1 1 1 13  -11 1  o 127.1559 4.105870  3384.739       200.1630 3332.061       
237.8096 3512.744       370.7038 125.6812 4.506922 128.6305 6.864424 -2.949295 
8.211740 
1 1 1 13  -11 2  o 108.2925 3.588053  2359.340       150.4328 2189.643       
177.9710 2783.975       281.5269 101.9121 4.159534 114.6730 5.847631 -12.76091 
7.176106 
1 1 1 13  -11 3  o 128.0359 4.814443  3515.973       242.1945 3580.683       
296.1635 3385.333       420.8119 130.1097 5.421793 125.9621 7.957362 4.147552 
9.628886 
1 1 1 13  -11 4  o 166.0936 6.635907  5925.991       462.6538 6035.362       
661.8571 5821.483       646.9792 167.5826 9.407114 164.6047 9.362011 2.977859 
13.27181 
1 1 1 13  -11 5  o 198.2273 6.493191  8447.299       518.6419 8409.055       
862.0685 8468.995       649.2936 197.2358 10.41063 199.2187 7.763043 -1.982925 
12.98638 
1 1 1 13  -11 6  o 156.7376 5.569849  5257.416       360.6882 5170.962       
559.5283 5318.884       471.7990 155.3889 8.576756 158.0863 7.108595 -2.697418 
11.13970 
1 1 1 13  -11 7  o 28.68556 6.650628  143.8880       108.8988 -50.29147      
165.7006 291.5223       144.4828 21.20584 9.388407 36.16528 9.422379 -14.95944 
13.30126 
1 1 1 13  -11 8  o 60.51513 5.222373  804.1160       128.4345 643.0857       
194.1045 929.5230       171.2943 54.82528 8.432879 66.20497 6.162733 -11.37969 
10.44475 
1 1 1 13  -11 9  o 26.84525 10.52295  97.10303       172.4616 97.10303       
172.4616 0.000000       0.000000 26.84525 10.52295 ?        ?        ? ? 
1 1 1 13  -11 10 o 158.5482 6.158231  5346.700       406.6129 5755.903       
623.7153 5044.244       536.2255 163.6284 9.079226 153.4681 8.322433 10.16023 
12.31646 
1 1 1 13  -11 11 o 93.24561 4.786399  1850.372       187.2499 1946.039       
269.5812 1761.189       260.2860 95.58208 6.717911 90.90913 6.819687 4.672958 
9.572798 
1 1 1 13  -11 12 o 102.4790 4.850740  2231.275       207.8418 2382.737       
311.5452 2109.801       279.0050 105.5494 7.030502 99.40865 6.685114 6.140762 
9.701480 
1 1 1 13  -11 13 o 119.8219 5.147080  3080.858       252.7566 3106.231       
404.1713 3064.562       323.9105 119.9263 8.027349 119.7176 6.444486 0.2087250 
10.29416 
1 1 1 13  -11 14 o 31.08054 7.591450  174.4861       131.0664 28.92365       
185.1894 320.5728       185.5227 24.67153 10.41483 37.48956 11.04771 -12.81803 
15.18290 
1 1 1 13  -11 15 o 162.3451 5.644493  5742.401       384.2194 5737.909       
557.3559 5746.469       530.3835 162.1299 8.188241 162.5603 7.771352 
-0.4304199     11.28899 
1 1 1 13  -11 16 o 40.06133 7.214530  381.3864       124.2687 273.4629       
183.9162 472.0505       168.5698 34.69863 11.14828 45.42403 9.160438 -10.72540 
14.42906 
1 1 1 13  -11 17 f 41.74541 6.717626  372.0159       125.2819 670.6633       
194.8712 161.6212       163.5633 54.95297 8.446516 28.53784 10.44808 26.41513 
13.43525 
1 1 1 13  -11 18 o 71.82259 5.164321  1158.820       152.4404 1000.825       
229.0717 1284.402       204.2274 66.91307 8.154203 76.73211 6.339544 -9.819038 
10.32864 
1 1 1 13  -11 19 o 60.85804 5.684756  837.4193       144.0499 825.3716       
216.6749 846.9618       192.8370 60.16945 8.577358 61.54663 7.462892 -1.377178 
11.36951 
1 1 1 13  -11 20 o 48.40800 7.082013  562.0663       136.3946 635.2531       
220.4483 516.6728       173.6149 50.45926 10.72807 46.35674 9.248139 4.102516 
14.16403 
1 1 1 13  -11 21 o 46.02699 7.190061  526.1429       131.0962 558.3492       
219.2003 508.2084       163.5744 46.18020 11.36737 45.87378 8.807426 0.3064194 
14.38012 
1 1 1 13  -11 22 o 20.58033 6.541008  -76.54063      124.6787 -222.7078      
171.3859 87.76941       181.7114 16.50610 7.991113 24.65456 10.35767 -8.148453 
13.08202 
1 1 1 13  -11 23 o 37.98433 7.444011  382.9604       122.1673 331.7063       
161.2344 452.0520       187.2000 35.19793 10.27588 40.77073 10.77309 -5.572803 
14.88802 
1 1 1 13  -11 24 o 31.85230 7.513572  289.2825       125.3653 174.4018       
198.2684 365.8073       161.8195 27.19077 11.05437 36.51384 10.17919 -9.323069 
15.02714 
1 1 1 13  -11 25 o 36.79119 7.890242  407.5969       133.4463 359.2954       
188.5545 456.0701       188.8891 34.33740 11.29888 39.24498 11.01631 -4.907585 
15.78048 
1 1 1 13  -11 26 o 18.48381 6.236875  -89.97353      130.7522 -119.7576      
221.0582 -73.94633      162.1598 19.32555 9.296096 17.64207 8.317272 1.683485 
12.47375 
1 1 1 13  -11 27 o 18.75804 6.301618  -36.80643      113.1456 18.17731       
238.0312 -52.85631      128.6034 21.49611 10.11744 16.01997 7.515244 5.476141 
12.60324 
1 1 1 13  -10 0  o 209.4861 6.674894  9411.222       559.5054 9495.955       
695.5350 9255.851       941.8412 211.3964 7.836866 207.5757 10.80742 3.820679 
13.34979 
1 1 1 13  -10 1  o 18.58852 5.723034  -17.86634      81.03933 -19.20655      
102.1577 -15.59130      133.0999 17.22099 7.510953 19.95605 8.637018 -2.735065 
11.44607 
1 1 1 13  -10 2  o 66.58096 4.082310  950.3518       105.9358 973.8134       
128.8082 901.3134       186.2228 67.96100 4.514449 65.20092 6.802997 2.760078 
8.164619 
1 1 1 13  -10 3  o 123.9897 4.857046  3262.152       252.7766 3239.508       
360.6182 3284.024       354.4226 123.5507 6.952222 124.4288 6.784555 
-0.8781891     9.714092 
1 1 1 13  -10 4  o 67.32186 4.370812  962.5387       121.8528 766.8326       
168.9361 1174.780       175.9283 60.11736 6.693352 74.52637 5.622725 -14.40901 
8.741625 
1 1 1 13  -10 5  o 50.46801 5.105419  542.2623       107.7886 600.8164       
153.7282 485.6362       151.1761 53.18048 6.885291 47.75553 7.540158 5.424953 
10.21084 
1 1 1 13  -10 6  o 84.13335 4.250267  1497.740       149.7585 1356.688       
207.5851 1650.830       216.2623 79.98617 6.181622 88.28052 5.834948 -8.294350 
8.500533 
1 1 1 13  -10 7  o 119.1466 4.940478  3013.822       246.8669 2841.104       
340.9750 3204.094       357.8835 115.5569 7.028258 122.7363 6.945277 -7.179413 
9.880956 
1 1 1 13  -10 8  f 68.30984 4.641419  988.0714       132.7412 1029.794       
196.6138 953.1245       179.9411 69.61085 6.727569 67.00883 6.396163 2.602020 
9.282838 
1 1 1 13  -10 9  o 87.05000 4.825150  1623.966       174.8243 1457.941       
255.2667 1770.633       239.9237 82.73866 7.348635 91.36134 6.255065 -8.622681 
9.650299 
1 1 1 13  -10 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -10 11 o 143.2723 5.656755  4366.214       331.3412 4478.824       
535.7944 4296.481       421.6315 144.4817 8.832965 142.0630 7.069248 2.418686 
11.31351 
1 1 1 13  -10 12 o 147.0512 6.498372  4665.972       399.2822 4570.144       
590.4785 4746.703       541.9749 145.4570 9.669201 148.6454 8.684579 -3.188416 
12.99674 
1 1 1 13  -10 13 o 33.72149 7.969648  206.0842       140.5699 378.4549       
212.7346 72.49419       187.2809 40.90406 11.75905 26.53893 10.76038 14.36513 
15.93930 
1 1 1 13  -10 14 o 82.54642 5.112491  1453.760       175.1868 1519.354       
271.0986 1406.730       229.5547 84.01804 7.685565 81.07481 6.744059 2.943237 
10.22498 
1 1 1 13  -10 15 o 129.6901 5.751380  3581.840       297.3158 3864.893       
515.2989 3440.588       364.0186 132.8504 9.238840 126.5298 6.852542 6.320557 
11.50276 
1 1 1 13  -10 16 o 24.16954 7.243838  15.50910       129.4041 75.56434       
183.9408 -43.33932      182.0833 26.14852 10.64182 22.19057 9.830785 3.957954 
14.48768 
1 1 1 13  -10 17 o 59.30732 5.696697  777.0325       137.4256 742.1974       
220.4402 799.1776       175.7603 57.87776 9.071941 60.73689 6.892700 -2.859127 
11.39339 
1 1 1 13  -10 18 o 73.85533 4.943905  1173.122       151.8364 1311.035       
235.3128 1074.740       198.7470 77.42181 7.239410 70.28886 6.734964 7.132957 
9.887811 
1 1 1 13  -10 19 o 52.38334 5.867335  608.5081       127.9833 659.2269       
196.4729 571.1232       168.6809 54.12128 8.646805 50.64540 7.933173 3.475876 
11.73467 
1 1 1 13  -10 20 o 56.40637 6.246756  754.7172       138.5289 534.8907       
198.4072 963.8128       193.5039 46.90369 10.35303 65.90905 6.993035 -19.00536 
12.49351 
1 1 1 13  -10 21 o 26.67796 6.939018  125.6357       121.0627 -131.3933      
205.5157 262.2198       149.8146 20.62410 9.633926 32.73182 9.989361 -12.10771 
13.87804 
1 1 1 13  -10 22 o 35.49319 6.963015  322.7340       119.6256 137.0193       
177.2110 478.2107       162.1437 26.67782 10.60211 44.30856 9.029373 -17.63073 
13.92603 
1 1 1 13  -10 23 o 23.53640 6.329245  12.66168       115.2447 256.9852       
151.6884 -320.9049      177.2397 31.63944 10.12041 15.43337 7.603597 16.20607 
12.65849 
1 1 1 13  -10 24 o 25.78038 7.139250  88.34118       134.3700 -171.1087      
203.5177 288.8380       178.9078 19.02870 9.096284 32.53207 11.00605 -13.50337 
14.27850 
1 1 1 13  -10 25 o 38.41021 7.736715  420.0852       130.3249 421.2426       
197.0519 419.1853       173.7533 37.94352 11.43196 38.87691 10.42772 
-0.9333954     15.47343 
1 1 1 13  -10 26 o 43.76942 7.641088  556.5081       136.5527 560.9415       
225.9068 553.9556       171.4126 42.08975 12.12342 45.44909 9.304177 -3.359344 
15.28218 
1 1 1 13  -10 27 o 51.05529 6.988733  775.9395       126.1150 686.0712       
244.9267 808.3628       147.1167 43.93965 12.61278 58.17093 6.023891 -14.23128 
13.97747 
1 1 1 13  -9  0  o 185.7503 4.788576  7295.382       363.2472 7282.131       
462.7720 7316.649       586.2849 185.6974 5.935841 185.8031 7.515825 
-0.1057129     9.577151 
1 1 1 13  -9  1  o 108.6639 3.841404  2361.348       156.2740 2217.840       
180.9947 2781.699       309.7661 102.6288 4.200660 114.6990 6.432729 -12.07018 
7.682809 
1 1 1 13  -9  2  o 130.1617 4.525335  3611.434       236.3337 3683.000       
295.4219 3484.217       393.8779 132.1156 5.326107 128.2077 7.317595 3.907806 
9.050670 
1 1 1 13  -9  3  o 222.4627 7.055369  10572.10       632.1929 10531.62       
789.5928 10644.40       1055.197 222.4608 8.454166 222.4647 11.29779 
-0.3906250E-02 14.11074 
1 1 1 13  -9  4  o 132.9882 4.092544  3735.471       228.4176 3854.802       
328.1427 3623.296       318.1513 135.0472 5.787596 130.9292 5.787865 4.118057 
8.185087 
1 1 1 13  -9  5  o 187.7762 6.485973  7597.046       484.5109 7728.430       
599.8410 7350.425       821.8323 190.6994 7.492174 184.8530 10.58956 5.846405 
12.97195 
1 1 1 13  -9  6  o 101.6728 3.948529  2184.565       168.4869 2259.021       
241.8101 2114.307       234.8934 103.3570 5.572571 99.98861 5.595533 3.368378 
7.897059 
1 1 1 13  -9  7  o 215.1666 7.090975  9902.472       597.7944 9787.852       
724.0767 10147.85       1059.426 214.1758 8.052584 216.1573 11.67406 -1.981522 
14.18195 
1 1 1 13  -9  8  o 86.84328 4.273696  1598.572       155.8074 1625.559       
221.2677 1572.031       219.4335 87.57380 6.018178 86.11275 6.069551 1.461044 
8.547392 
1 1 1 13  -9  9  o 62.28021 5.201262  832.4114       134.6116 775.6229       
201.0302 878.5709       181.2430 60.26419 7.945534 64.29624 6.714237 -4.032055 
10.40252 
1 1 1 13  -9  10 o 124.0042 5.079398  3277.640       260.1791 3299.495       
339.6606 3246.610       404.7314 124.6623 6.489799 123.3462 7.815601 1.316093 
10.15880 
1 1 1 13  -9  11 o 178.4642 5.509864  6779.378       411.7605 6586.337       
559.3761 7007.689       608.3342 175.7750 7.579976 181.1535 7.998649 -5.378448 
11.01973 
1 1 1 13  -9  12 o 26.64202 10.57656  87.06958       176.1847 87.06958       
176.1847 0.000000       0.000000 26.64202 10.57656 ?        ?        ? ? 
1 1 1 13  -9  13 o 138.3926 5.469821  4062.682       304.2823 4197.015       
513.4614 3989.971       377.7607 139.8023 8.748116 136.9829 6.568580 2.819397 
10.93964 
1 1 1 13  -9  14 o 29.40079 7.663905  144.5482       125.6081 213.6518       
189.1717 90.05779       167.9833 32.57974 11.30263 26.22185 10.35337 6.357891 
15.32781 
1 1 1 13  -9  15 o 78.03558 5.037447  1309.917       163.6424 1266.049       
245.4863 1345.000       219.5331 76.73942 7.619560 79.33176 6.591343 -2.592339 
10.07489 
1 1 1 13  -9  16 o 84.67702 4.998378  1473.216       173.4480 1896.706       
285.3807 1225.146       218.4190 93.84195 7.243503 75.51210 6.889614 18.32985 
9.996756 
1 1 1 13  -9  17 o 112.6515 5.664615  2578.733       253.2989 3343.651       
456.8585 2239.236       304.3630 123.4896 8.811954 101.8135 7.120456 21.67618 
11.32923 
1 1 1 13  -9  18 o 29.47323 7.467249  175.7519       118.3938 116.4575       
187.0363 215.3950       152.9334 27.72107 10.93126 31.22538 10.17579 -3.504309 
14.93450 
1 1 1 13  -9  19 o 23.64923 6.974757  3.576635       119.2840 142.8824       
185.2520 -95.08796      155.9046 28.48540 10.95918 18.81306 8.630486 9.672340 
13.94951 
1 1 1 13  -9  20 o 23.59790 7.063273  25.74346       123.6457 -45.29995      
175.5345 95.70756       174.1960 21.30579 9.531021 25.89001 10.42684 -4.584215 
14.12655 
1 1 1 13  -9  21 o 79.61845 5.132411  1401.223       170.8408 1576.153       
254.7965 1258.347       230.2715 84.12391 7.214314 75.11301 7.302073 9.010902 
10.26482 
1 1 1 13  -9  22 o 28.57509 7.001589  173.4059       110.3028 285.2164       
155.3595 59.75647       156.6318 33.99558 10.13233 23.15460 9.665659 10.84097 
14.00318 
1 1 1 13  -9  23 o 35.68699 6.999043  326.2150       121.3945 134.7105       
178.8717 489.7365       165.2873 26.60763 10.62731 44.76633 9.110801 -18.15870 
13.99809 
1 1 1 13  -9  24 o 21.05851 6.729980  -30.67617      127.9393 14.16401       
172.3030 -85.77914      191.0059 21.85139 9.636734 20.26562 9.397013 1.585772 
13.45996 
1 1 1 13  -9  25 o 31.57151 7.475261  252.1232       129.6530 87.93950       
183.5082 415.7670       183.2062 24.25553 10.30912 38.88748 10.82775 -14.63195 
14.95052 
1 1 1 13  -9  26 o 18.48308 6.224703  -134.6542      131.9204 -203.0703      
213.4359 -92.36062      167.8130 18.66170 9.014372 18.30446 8.586550 0.3572407 
12.44941 
1 1 1 13  -9  27 o 38.53040 6.731987  486.3387       116.4001 217.4569       
237.7093 571.1468       133.5009 27.97149 11.80333 49.08931 6.477662 -21.11782 
13.46397 
1 1 1 13  -9  28 o 30.62307 8.071803  323.5237       135.1645 351.8587       
244.9891 311.1247       162.0616 30.19359 12.28368 31.05255 10.47507 
-0.8589611     16.14361 
1 1 1 13  -8  0  o 167.9550 5.472415  5930.893       349.4859 5874.571       
413.4319 6071.903       654.1661 166.8689 5.901327 169.0412 9.217573 -2.172287 
10.94483 
1 1 1 13  -8  1  f 149.0837 5.070707  4619.441       289.3928 4506.042       
342.7241 4901.154       540.1850 146.1738 5.584654 151.9937 8.465219 -5.819870 
10.14141 
1 1 1 13  -8  2  o 97.72725 4.598323  2017.018       188.5469 2119.854       
269.5775 1918.538       263.8072 100.1736 6.409901 95.28085 6.594806 4.892799 
9.196646 
1 1 1 13  -8  3  o 180.0141 6.635778  6900.930       500.8922 6882.244       
725.9362 6917.910       692.0177 179.7164 9.621256 180.3119 9.141425 
-0.5954895     13.27156 
1 1 1 13  -8  4  o 58.96602 4.833278  719.3961       118.2157 849.7911       
185.4174 630.0898       153.4480 63.35795 6.970605 54.57409 6.697237 8.783863 
9.666556 
1 1 1 13  -8  5  o 156.1877 5.604641  5191.660       362.7830 5112.803       
557.2040 5249.686       477.9679 155.0045 8.562312 157.3709 7.234280 -2.366455 
11.20928 
1 1 1 13  -8  6  o 79.74271 4.596431  1346.098       153.8117 1403.113       
219.0883 1290.684       215.9900 81.41693 6.409519 78.06849 6.589901 3.348442 
9.192863 
1 1 1 13  -8  7  o 20.73242 6.330909  -19.82401      102.1997 -72.22160      
148.6153 27.18630       140.7681 19.31616 8.700459 22.14868 9.199112 -2.832521 
12.66182 
1 1 1 13  -8  8  o 205.9679 6.481449  9135.045       555.8775 8638.059       
826.8839 9544.849       750.8622 200.5246 9.821952 211.4112 8.459668 -10.88658 
12.96290 
1 1 1 13  -8  9  o 115.3129 4.693686  2830.509       225.7446 2756.151       
336.5816 2891.306       304.3486 113.8507 7.041671 116.7750 6.207866 -2.924339 
9.387371 
1 1 1 13  -8  10 o 237.3409 8.113214  12270.60       802.7908 12064.59       
1201.729 12436.63       1078.824 235.0159 12.17953 239.6658 10.72175 -4.649857 
16.22643 
1 1 1 13  -8  11 o 81.91283 4.961179  1434.813       169.5182 1345.869       
249.3349 1511.267       231.1648 79.46674 7.473410 84.35893 6.526971 -4.892197 
9.922359 
1 1 1 13  -8  12 o 180.0137 8.286994  7055.880       625.8248 6999.569       
900.3613 7108.517       870.4941 179.1807 11.96869 180.8468 11.46506 -1.666031 
16.57399 
1 1 1 13  -8  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -8  14 o 100.5452 5.201937  2140.751       218.1557 1824.291       
296.3907 2514.884       322.2687 92.43178 7.637731 108.6586 7.064394 -16.22685 
10.40387 
1 1 1 13  -8  15 o 60.02256 6.253463  778.7158       156.4090 755.1656       
233.7719 797.8019       210.4529 59.09336 9.422684 60.95175 8.224125 -1.858391 
12.50693 
1 1 1 13  -8  16 o 81.44019 5.060048  1401.118       170.8629 1548.362       
267.9720 1300.246       221.7974 84.90726 7.517365 77.97312 6.775364 6.934135 
10.12010 
1 1 1 13  -8  17 f 86.82017 4.934575  1589.786       178.0141 1844.351       
276.9941 1410.667       232.3495 92.58673 7.125951 81.05360 6.827953 11.53313 
9.869150 
1 1 1 13  -8  18 o 90.42628 4.966220  1749.240       187.1899 1482.877       
253.1259 2070.718       278.0838 82.80308 7.281336 98.04949 6.755406 -15.24641 
9.932440 
1 1 1 13  -8  19 o 65.86179 5.167933  890.3394       138.1466 1297.591       
225.0733 644.1777       174.9859 77.38805 6.927414 54.33552 7.670792 23.05252 
10.33587 
1 1 1 13  -8  20 o 56.76152 6.154326  701.5363       144.3279 808.4552       
230.3064 632.3917       185.2072 60.07941 9.130644 53.44364 8.254350 6.635765 
12.30865 
1 1 1 13  -8  21 o 78.80609 5.068360  1350.264       165.1554 1478.409       
261.2280 1264.937       213.1634 81.63004 7.622384 75.98214 6.682243 5.647896 
10.13672 
1 1 1 13  -8  22 o 28.75230 7.480698  143.2867       122.1201 45.43253       
157.2872 291.8044       193.7728 22.87903 9.625256 34.62558 11.45416 -11.74655 
14.96140 
1 1 1 13  -8  23 o 87.38953 4.845538  1739.081       173.2322 1884.287       
228.1118 1541.241       266.2643 92.50011 5.873899 82.27893 7.708064 10.22118 
9.691075 
1 1 1 13  -8  24 o 27.00350 7.269282  117.2249       131.6355 284.7001       
176.4966 -92.71268      197.6087 33.30031 10.93163 20.70669 9.584845 12.59362 
14.53856 
1 1 1 13  -8  25 o 23.03816 7.095362  31.90641       132.1134 -61.91255      
203.2120 100.5905       173.8730 21.36806 9.823813 24.70826 10.24057 -3.340197 
14.19072 
1 1 1 13  -8  26 o 32.72077 8.500685  303.4940       152.7421 318.4258       
228.1395 291.3634       205.6298 33.20373 12.31292 32.23781 11.72342 0.9659157 
17.00137 
1 1 1 13  -8  27 o 18.38972 6.189090  -89.08950      110.2255 -112.5431      
232.3683 -82.27980      125.2089 20.92394 9.897222 15.85550 7.434000 5.068441 
12.37818 
1 1 1 13  -8  28 o 25.60691 7.674919  116.1274       134.3380 314.8990       
241.7142 27.29002       161.5931 30.72466 12.32030 20.48916 9.155748 10.23551 
15.34984 
1 1 1 13  -8  29 o 43.59729 8.396944  681.9446       160.6921 612.9732       
265.0694 722.0209       202.0543 38.21462 13.36754 48.97997 10.16580 -10.76535 
16.79389 
1 1 1 13  -7  0  o 269.8482 6.389693  15395.13       682.1029 15305.05       
834.1667 15576.90       1184.954 269.1100 7.383190 270.5863 10.43078 -1.476257 
12.77939 
1 1 1 13  -7  1  o 193.6169 5.119707  7926.607       415.6758 8033.459       
576.3607 7810.786       600.0644 195.0126 7.039679 192.2213 7.435625 2.791306 
10.23941 
1 1 1 13  -7  2  o 187.9347 5.250622  7471.045       412.2724 7498.288       
556.9271 7438.017       613.2106 188.3823 7.041731 187.4872 7.790389 0.8950806 
10.50124 
1 1 1 13  -7  3  o 130.1987 4.422412  3565.003       236.6094 3516.658       
303.9086 3639.406       377.0205 129.1511 5.604877 131.2464 6.842243 -2.095367 
8.844825 
1 1 1 13  -7  4  o 55.29867 4.892796  646.3163       113.3254 588.4548       
158.3081 707.1321       162.2991 52.74760 7.148609 57.84973 6.682454 -5.102127 
9.785591 
1 1 1 13  -7  5  o 34.58531 6.722613  261.1520       100.7659 294.0496       
146.7680 231.8175       138.5923 36.48999 9.491774 32.68063 9.522623 3.809364 
13.44523 
1 1 1 13  -7  6  o 102.8033 4.434675  2244.169       189.3268 2156.075       
286.5630 2312.409       252.2115 100.9481 6.761497 104.6586 5.739992 -3.710426 
8.869349 
1 1 1 13  -7  7  f 90.90538 4.735330  1749.983       180.5410 1736.954       
260.7314 1761.985       250.2388 90.56161 6.857569 91.24915 6.532009 
-0.6875458     9.470659 
1 1 1 13  -7  8  o 111.8534 5.059242  2665.453       235.1939 2570.227       
355.1680 2739.824       313.8752 109.9744 7.692423 113.7324 6.573457 -3.757980 
10.11848 
1 1 1 13  -7  9  o 76.61668 4.623842  1272.822       145.2804 1027.096       
214.2561 1481.957       197.6609 69.51697 7.341139 83.71639 5.623818 -14.19942 
9.247684 
1 1 1 13  -7  10 o 50.89516 6.293459  581.4157       125.9966 284.6418       
172.8060 918.2574       184.1022 36.01966 10.67605 65.77068 6.667266 -29.75102 
12.58692 
1 1 1 13  -7  11 o 69.76431 5.198047  1048.964       148.9308 970.2982       
231.0887 1104.850       194.7762 67.38242 8.168703 72.14622 6.430479 -4.763802 
10.39609 
1 1 1 13  -7  12 o 89.78772 4.587208  1700.309       172.2524 1516.838       
233.6625 1918.695       254.9276 84.50262 6.586277 95.07282 6.386774 -10.57021 
9.174417 
1 1 1 13  -7  13 o 94.81751 4.382784  1898.988       174.1022 1754.930       
237.9737 2064.895       255.3824 90.95885 6.231678 98.67617 6.164526 -7.717316 
8.765569 
1 1 1 13  -7  14 o 142.0841 6.100177  4273.751       356.5221 4570.904       
571.6690 4084.613       456.0840 145.8362 9.336853 138.3320 7.853139 7.504181 
12.20035 
1 1 1 13  -7  15 o 132.5743 7.700918  3753.371       428.6284 3753.371       
428.6284 0.000000       0.000000 132.5743 7.700918 ?        ?        ? ? 
1 1 1 13  -7  16 o 38.66385 7.368944  345.7195       125.0779 239.8584       
194.3971 420.5031       163.3898 33.98442 11.47260 43.34328 9.251206 -9.358868 
14.73789 
1 1 1 13  -7  17 o 79.80817 4.986978  1361.789       166.6571 1396.390       
245.9506 1332.415       226.6126 80.69652 7.259625 78.91981 6.839417 1.776711 
9.973955 
1 1 1 13  -7  18 o 45.68535 7.560859  456.1083       138.2585 581.7916       
233.0812 387.8778       171.7345 50.18131 11.33069 41.18938 10.01408 8.991924 
15.12172 
1 1 1 13  -7  19 o 45.88215 7.675410  472.6009       147.6589 672.9794       
225.8245 322.9486       195.1583 54.23394 10.29058 37.53036 11.39086 16.70358 
15.35082 
1 1 1 13  -7  20 o 24.49218 7.422788  7.792770       136.9217 -40.30024      
185.5907 65.23454       202.8286 22.38660 9.920384 26.59776 11.04432 -4.211161 
14.84558 
1 1 1 13  -7  21 o 40.52637 7.878878  392.4520       141.7788 497.9575       
199.8249 285.4968       201.1930 45.84986 10.58702 35.20288 11.67141 10.64699 
15.75776 
1 1 1 13  -7  22 o 67.19966 5.451024  1025.293       149.9426 1200.332       
204.7837 822.9990       220.1509 74.02504 6.589276 60.37428 8.685394 13.65076 
10.90205 
1 1 1 13  -7  23 o 52.61494 6.206128  647.6998       132.2120 690.8779       
178.5047 595.2277       196.7806 55.41345 7.672829 49.81644 9.756627 5.597015 
12.41226 
1 1 1 13  -7  24 o 21.14204 6.730792  -71.06562      132.9585 -237.7466      
202.9695 54.22116       175.9707 18.47712 8.892776 23.80697 10.10607 -5.329853 
13.46158 
1 1 1 13  -7  25 o 23.74323 7.313455  36.99301       135.5111 55.64544       
205.9571 22.75407       179.9484 24.79655 10.73813 22.68991 9.931720 2.106649 
14.62691 
1 1 1 13  -7  26 o 42.95644 8.157332  507.3791       150.2369 461.0598       
205.6230 560.4230       220.0435 40.81186 11.50617 45.10101 11.56617 -4.289150 
16.31466 
1 1 1 13  -7  27 o 18.64307 6.159132  -89.84711      105.1231 16.34306       
197.1818 -132.0139      124.2538 22.52460 10.08828 14.76155 7.068679 7.763047 
12.31826 
1 1 1 13  -7  28 o 21.16785 6.540148  28.59485       116.9054 -158.6588      
207.2433 115.9895       141.5820 18.95201 9.088234 23.38369 9.407346 -4.431679 
13.08030 
1 1 1 13  -7  29 f 56.14909 7.189140  908.4987       151.0297 836.7191       
263.6773 943.5466       184.2482 50.35929 12.51131 61.93890 7.085345 -11.57961 
14.37828 
1 1 1 13  -7  30 o 25.38789 7.574309  202.6733       142.6329 110.9892       
246.1747 249.0054       175.0000 23.47993 10.80220 27.29584 10.62041 -3.815914 
15.14862 
1 1 1 13  -6  0  o 85.03896 3.600521  1544.184       119.5977 1584.141       
145.6980 1461.646       209.4060 86.79536 3.998325 83.28256 5.989024 3.512794 
7.201042 
1 1 1 13  -6  1  o 199.3824 7.064472  8437.250       591.3073 8551.668       
836.0165 8322.712       836.4531 200.7506 9.919256 198.0143 10.06158 2.736313 
14.12894 
1 1 1 13  -6  2  o 59.70119 4.439716  730.1121       108.4870 846.3718       
178.8395 662.4214       136.4626 63.33458 6.725797 56.06781 5.797237 7.266762 
8.879432 
1 1 1 13  -6  3  o 30.87658 7.154997  193.8654       106.6808 207.4909       
157.1867 182.2296       145.2574 31.75106 10.31632 30.00210 9.917130 1.748966 
14.30999 
1 1 1 13  -6  4  o 150.1514 5.182472  4756.137       323.7518 4701.711       
428.8602 4828.252       493.6554 149.2189 6.845623 151.0838 7.782641 -1.864899 
10.36494 
1 1 1 13  -6  5  o 194.0779 6.250293  8065.178       500.9805 8468.884       
662.1425 7524.648       766.1751 200.0189 7.884996 188.1369 9.700077 11.88203 
12.50059 
1 1 1 13  -6  6  o 157.2270 5.264415  5191.229       338.4423 5406.624       
549.2842 5059.413       429.6983 159.7020 8.192339 154.7519 6.613762 4.950027 
10.52883 
1 1 1 13  -6  7  o 199.4401 7.126079  8549.737       586.5012 8110.035       
903.6909 8869.728       770.9178 194.6490 11.05831 204.2312 8.990980 -9.582199 
14.25216 
1 1 1 13  -6  8  o 95.32393 4.749432  1886.003       188.2096 2218.920       
291.5010 1648.003       246.4678 102.3923 6.781003 88.25558 6.651797 14.13670 
9.498863 
1 1 1 13  -6  9  o 102.7230 4.740324  2231.288       204.0152 2288.498       
299.7500 2181.914       278.4665 103.9249 6.870063 101.5212 6.533372 2.403717 
9.480649 
1 1 1 13  -6  10 o 73.39759 4.857718  1160.534       147.2704 999.8542       
218.2555 1294.843       199.5436 68.57747 7.580620 78.21771 6.076504 -9.640244 
9.715436 
1 1 1 13  -6  11 o 78.39397 4.720281  1303.974       154.9815 1308.477       
227.3563 1300.065       211.8212 78.49129 6.899323 78.29665 6.443878 0.1946411 
9.440562 
1 1 1 13  -6  12 o 28.99028 7.110254  160.1188       107.5574 214.9009       
152.7982 106.3139       151.4292 31.80622 10.15571 26.17434 9.954117 5.631882 
14.22051 
1 1 1 13  -6  13 o 147.5999 4.290358  4625.693       265.4992 4808.718       
371.2415 4434.081       379.8515 150.6398 5.869996 144.5599 6.258740 6.079910 
8.580715 
1 1 1 13  -6  14 f 87.83705 5.400019  1638.294       198.4662 1567.402       
267.8108 1724.654       295.5876 85.77307 7.437007 89.90102 7.831459 -4.127953 
10.80004 
1 1 1 13  -6  15 f 146.4552 5.621975  4562.121       341.2684 4469.387       
446.3518 4692.613       529.4780 144.8543 7.339509 148.0561 8.518101 -3.201797 
11.24395 
1 1 1 13  -6  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -6  17 o 119.1322 5.347710  3015.298       258.0900 3119.654       
427.8998 2955.624       323.5736 120.4560 8.461254 117.8084 6.542109 2.647575 
10.69542 
1 1 1 13  -6  18 o 91.56607 5.629116  1802.627       213.9765 1829.352       
328.9063 1783.015       281.7533 91.98456 8.516836 91.14759 7.362832 0.8369675 
11.25823 
1 1 1 13  -6  19 o 28.94924 7.927037  127.5140       139.5229 183.7452       
191.4225 63.78337       203.7880 31.00631 11.30768 26.89218 11.11252 4.114130 
15.85407 
1 1 1 13  -6  20 o 128.1776 5.571591  3584.666       296.0264 3504.923       
452.8300 3644.177       391.1904 126.5458 8.523313 129.8093 7.177999 -3.263496 
11.14318 
1 1 1 13  -6  21 o 51.79958 7.290573  615.8409       155.1444 793.6152       
224.9724 454.6301       214.2358 59.84082 8.954737 43.75833 11.50750 16.08249 
14.58115 
1 1 1 13  -6  22 o 74.08870 4.844914  1204.846       148.9091 1250.392       
198.5293 1146.266       225.1530 75.94495 6.226539 72.23244 7.424487 3.712517 
9.689829 
1 1 1 13  -6  23 o 62.99097 5.744835  902.6705       149.2844 1028.808       
204.7292 759.4539       218.1494 68.21654 7.148437 57.76540 8.995130 10.45114 
11.48967 
1 1 1 13  -6  24 o 15.99513 5.530654  -301.6276      124.7955 -247.6171      
173.7115 -359.2339      179.4008 16.60723 8.040953 15.38304 7.595763 1.224190 
11.06131 
1 1 1 13  -6  25 o 46.44037 7.257520  540.0427       142.8165 367.2106       
200.3956 718.4258       203.5884 37.51836 11.57431 55.36238 8.759099 -17.84402 
14.51504 
1 1 1 13  -6  26 o 29.97217 7.921031  216.3600       135.1933 178.6661       
195.8780 250.6510       186.8273 28.50949 11.20425 31.43484 11.19981 -2.925358 
15.84206 
1 1 1 13  -6  27 f 24.76145 7.197014  98.58834       113.7933 173.3338       
198.9180 62.22877       138.7366 27.84503 11.17199 21.67787 9.076052 6.167160 
14.39403 
1 1 1 13  -6  28 o 24.86892 7.290848  107.8930       118.0897 187.6566       
207.3743 69.61501       143.6572 27.87589 11.31461 21.86194 9.198128 6.013947 
14.58170 
1 1 1 13  -6  29 o 29.23392 7.142928  235.5528       128.4193 -7.837405      
210.2136 380.4671       162.2052 21.83309 10.01829 36.63476 10.18428 -14.80167 
14.28586 
1 1 1 13  -6  30 o 23.13055 7.205760  106.3599       132.4335 54.27890       
244.0657 128.0930       157.6623 23.05958 10.66560 23.20152 9.692105 
-0.1419392     14.41152 
1 1 1 13  -6  31 o 39.74977 6.961774  599.3147       151.5809 176.5440       
267.9628 798.2585       183.8178 24.91327 11.38112 54.58628 8.020936 -29.67301 
13.92355 
1 1 1 13  -5  0  o 325.1782 11.50049  22765.02       1569.870 22445.80       
2225.281 23081.29       2215.017 322.8316 16.41836 327.5247 16.10846 -4.693176 
23.00098 
1 1 1 13  -5  1  o 143.8784 5.322791  4372.612       319.9191 4338.110       
475.7989 4401.082       432.2043 143.3191 7.907525 144.4377 7.127373 -1.118668 
10.64558 
1 1 1 13  -5  2  o 276.5367 9.573702  16345.86       1109.103 16373.53       
1622.908 16321.62       1519.236 276.5929 13.97571 276.4804 13.08826 0.1125183 
19.14740 
1 1 1 13  -5  3  o 93.80738 4.142100  1819.915       161.5816 2125.038       
250.0513 1601.161       211.7232 100.4305 5.930409 87.18429 5.784307 13.24619 
8.284200 
1 1 1 13  -5  4  o 256.7352 8.570998  14035.79       871.2227 13989.62       
1067.358 14127.95       1508.064 256.7799 9.900795 256.6904 13.99365 
0.8944702E-01  17.14200 
1 1 1 13  -5  5  o 89.22518 4.603682  1721.704       165.9365 1861.994       
213.1745 1506.003       264.3310 94.02198 5.400412 84.42838 7.457284 9.593597 
9.207363 
1 1 1 13  -5  6  f 283.1791 10.95354  17329.15       1298.792 17159.39       
1770.006 17527.18       1911.706 281.9618 14.95222 284.3964 16.01099 -2.434662 
21.90709 
1 1 1 13  -5  7  o 169.0492 6.566830  6065.665       465.1342 6140.169       
681.4247 6000.667       636.4719 169.9635 9.549558 168.1349 9.016594 1.828659 
13.13366 
1 1 1 13  -5  8  o 70.53179 4.601066  1060.127       135.0427 947.5973       
197.0975 1159.694       185.3975 66.93678 7.013543 74.12681 5.957302 -7.190033 
9.202132 
1 1 1 13  -5  9  o 161.4554 6.291688  5547.368       426.3965 5625.376       
600.1251 5467.837       605.9485 162.6280 8.789567 160.2828 9.004715 2.345261 
12.58338 
1 1 1 13  -5  10 o 164.1892 6.720656  5741.125       461.9583 5556.709       
626.2534 5961.251       684.2014 161.3808 9.243133 166.9977 9.758759 -5.616806 
13.44131 
1 1 1 13  -5  11 o 88.74522 5.112382  1672.335       190.2913 1664.625       
274.9174 1679.427       263.6604 88.52555 7.396983 88.96490 7.059068 
-0.4393463     10.22476 
1 1 1 13  -5  12 o 62.14668 5.049104  820.5412       131.6044 814.9775       
181.7969 826.6670       190.7599 61.94123 6.990815 62.35214 7.287135 
-0.4109116     10.09821 
1 1 1 13  -5  13 o 47.32763 6.731003  497.9116       128.8277 500.2563       
175.5443 495.1749       189.6524 47.54650 9.119364 47.10876 9.902668 0.4377403 
13.46201 
1 1 1 13  -5  14 o 187.5437 8.168252  7609.368       639.0022 7275.534       
849.4830 8044.458       969.7917 183.1166 11.04964 191.9707 12.03274 -8.854095 
16.33650 
1 1 1 13  -5  15 o 79.74887 4.931168  1340.515       163.8033 1601.176       
243.3810 1124.671       221.4717 86.81600 6.677409 72.68173 7.257952 14.13427 
9.862335 
1 1 1 13  -5  16 o 47.35474 6.964415  518.2007       137.9972 264.0910       
199.7641 750.1520       190.8557 35.40426 11.62989 59.30523 7.665371 -23.90097 
13.92883 
1 1 1 13  -5  17 o 92.88554 5.260962  1809.831       200.7392 1986.404       
324.7249 1700.617       255.3820 96.36937 8.025972 89.40173 6.804018 6.967644 
10.52192 
1 1 1 13  -5  18 o 113.3359 8.079010  2757.237       384.4187 2757.237       
384.4187 0.000000       0.000000 113.3359 8.079010 ?        ?        ? ? 
1 1 1 13  -5  19 o 144.3199 5.695477  4434.574       335.0814 4733.451       
550.5301 4258.698       422.3162 147.7184 8.877026 140.9215 7.138083 6.796921 
11.39095 
1 1 1 13  -5  20 o 190.8712 6.639909  7992.944       531.8538 7956.135       
740.6987 8032.123       764.1596 190.5318 9.259663 191.2105 9.519044 
-0.6787415     13.27982 
1 1 1 13  -5  21 o 70.82619 5.420205  1064.931       158.5829 1375.450       
243.9421 837.6529       208.6995 79.67618 7.292550 61.97619 8.020799 17.69999 
10.84041 
1 1 1 13  -5  22 o 28.34956 7.706224  107.1459       129.1793 27.47317       
163.0035 241.6742       211.8111 23.07341 9.757142 33.62570 11.93071 -10.55229 
15.41245 
1 1 1 13  -5  23 o 22.86987 6.930892  17.20175       117.9479 6.013496       
156.1984 32.04477       179.9105 21.74207 9.382526 23.99768 10.20379 -2.255610 
13.86178 
1 1 1 13  -5  24 o 78.63368 5.250280  1377.880       172.9461 1471.466       
243.9026 1283.243       245.2686 81.49756 7.128415 75.76981 7.710219 5.727745 
10.50056 
1 1 1 13  -5  25 o 39.86410 7.973439  406.1553       139.9327 364.0924       
209.2558 440.1805       188.2036 37.74437 11.86456 41.98382 10.65528 -4.239452 
15.94688 
1 1 1 13  -5  26 o 93.66835 4.233268  1840.927       154.1234 2236.959       
286.8514 1680.199       182.7417 99.57046 6.861950 87.76625 4.959422 11.80421 
8.466536 
1 1 1 13  -5  27 o 59.42744 7.107935  960.6003       158.7956 573.8010       
245.4124 1239.184       208.2722 45.08775 12.52461 73.76714 6.724956 -28.67938 
14.21587 
1 1 1 13  -5  28 o 31.84700 7.912447  225.7080       114.4630 417.5706       
240.6897 169.6349       130.1187 37.30760 12.76573 26.38640 9.352190 10.92121 
15.82489 
1 1 1 13  -5  29 o 21.06354 6.662864  -36.95803      118.8167 139.4960       
197.0872 -137.7053      148.9222 25.87214 10.82389 16.25493 7.772923 9.617214 
13.32573 
1 1 1 13  -5  30 o 31.81802 6.720417  268.5443       138.0517 -162.0045      
220.5580 545.8746       177.0151 19.19916 9.247569 44.43687 9.753895 -25.23771 
13.44083 
1 1 1 13  -5  31 o 45.79913 7.542504  834.7258       160.4650 407.3065       
342.7301 954.7242       181.5987 29.92953 13.35517 61.66874 7.014047 -31.73920 
15.08501 
1 1 1 13  -4  0  f 127.8536 4.482061  3460.393       236.4635 3347.884       
366.9276 3540.308       309.2427 126.0234 6.935061 129.6837 5.679825 -3.660362 
8.964122 
1 1 1 13  -4  1  o 77.63947 4.500897  1276.989       145.5518 1095.953       
206.2777 1456.501       205.4077 72.10831 6.813778 83.17064 5.882578 -11.06233 
9.001794 
1 1 1 13  -4  2  o 229.1364 8.593078  11180.22       825.4939 11475.71       
1147.586 10863.39       1188.329 232.3718 11.76313 225.9009 12.52967 6.470886 
17.18616 
1 1 1 13  -4  3  o 138.5613 4.565150  4047.202       262.7807 4036.211       
401.4502 4055.442       347.5963 138.3578 6.911131 138.7649 5.966459 
-0.4071045     9.130300 
1 1 1 13  -4  4  o 153.2926 5.354924  4869.448       314.7675 4742.512       
373.0572 5183.135       586.4497 150.0527 5.921784 156.5325 8.923750 -6.479736 
10.70985 
1 1 1 13  -4  5  o 265.5084 8.977980  15051.37       997.3506 14934.91       
1469.036 15150.95       1358.387 264.3679 13.23563 266.6489 12.13402 -2.280975 
17.95596 
1 1 1 13  -4  6  o 243.7299 8.184675  12739.87       826.7731 12049.67       
1254.081 13270.47       1099.565 237.5322 12.57547 249.9276 10.47919 -12.39545 
16.36935 
1 1 1 13  -4  7  o 145.9784 5.159164  4412.236       306.9550 4151.401       
385.1099 4866.607       508.2855 140.2710 6.539398 151.6858 7.981490 -11.41472 
10.31833 
1 1 1 13  -4  8  o 97.46072 4.497472  2006.558       180.7477 2015.349       
234.8411 1993.783       283.1019 97.77222 5.721102 97.14922 6.941039 0.6229935 
8.994945 
1 1 1 13  -4  9  o 214.9879 6.010350  9810.145       540.7542 9744.791       
795.6980 9866.232       737.1385 214.2281 8.846936 215.7478 8.138116 -1.519653 
12.02070 
1 1 1 13  -4  10 f 51.16922 6.214714  555.4091       126.6834 820.8373       
193.5305 356.4041       167.5745 62.24891 7.405232 40.08953 9.982644 22.15938 
12.42943 
1 1 1 13  -4  11 o 37.40389 6.902817  287.4272       115.4998 477.7292       
177.1943 146.8402       152.3003 46.51512 9.402433 28.29267 10.10890 18.22245 
13.80563 
1 1 1 13  -4  12 o 57.25137 5.424158  684.7224       127.9427 638.3890       
163.5713 757.7465       205.3497 54.85043 7.103102 59.65232 8.199507 -4.801888 
10.84832 
1 1 1 13  -4  13 o 246.0735 10.74760  13411.92       1108.638 13618.47       
1617.644 13228.97       1522.390 247.5407 15.56530 244.6063 14.82447 2.934357 
21.49520 
1 1 1 13  -4  14 o 74.88445 4.859017  1160.739       150.7446 1434.179       
235.9191 972.0698       195.9672 82.14676 6.840592 67.62212 6.902645 14.52464 
9.718035 
1 1 1 13  -4  15 o 128.0102 5.605598  3498.641       301.2279 3546.705       
430.0235 3452.335       422.0885 128.8676 7.948216 127.1529 7.906756 1.714661 
11.21120 
1 1 1 13  -4  16 o 134.3689 5.774426  3777.308       317.5799 4215.578       
520.6042 3517.555       400.7900 140.2416 8.842030 128.4961 7.429300 11.74545 
11.54885 
1 1 1 13  -4  17 f 121.5887 4.921872  3150.335       236.8961 3127.028       
408.8732 3162.112       290.6515 120.9804 8.049978 122.1970 5.665433 -1.216576 
9.843743 
1 1 1 13  -4  18 o 74.04298 5.258548  1172.808       162.9958 1116.985       
235.8356 1223.859       225.5313 72.29678 7.769831 75.78919 7.087949 -3.492416 
10.51710 
1 1 1 13  -4  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -4  20 o 57.33249 7.400562  738.7274       173.4268 650.6498       
248.1371 822.8385       242.4856 53.23928 11.43069 61.42570 9.402794 -8.186424 
14.80112 
1 1 1 13  -4  21 o 130.5825 5.169581  3676.819       282.7500 3344.448       
392.8490 4034.054       407.2791 124.3600 7.524301 136.8050 7.091062 -12.44501 
10.33916 
1 1 1 13  -4  22 o 113.8869 4.297945  2797.374       203.9776 3188.201       
288.9541 2409.166       287.9840 122.0291 5.640097 105.7447 6.486805 16.28436 
8.595891 
1 1 1 13  -4  23 o 35.75947 7.666901  289.6203       128.1852 201.7956       
175.1145 391.0061       188.1491 30.86344 10.85840 40.65551 10.82684 -9.792067 
15.33380 
1 1 1 13  -4  24 o 45.14993 7.008393  471.1907       140.2298 202.9061       
190.9279 785.4228       206.6316 31.00778 11.29454 59.29209 8.300821 -28.28431 
14.01679 
1 1 1 13  -4  25 o 40.88688 7.442598  405.9036       130.7404 521.9110       
191.0179 303.6635       179.3253 46.49513 10.06970 35.27862 10.96222 11.21651 
14.88520 
1 1 1 13  -4  26 o 31.12807 6.718994  253.4851       104.6278 54.53936       
202.2470 326.1848       122.2590 25.09935 10.74979 37.15679 8.063597 -12.05744 
13.43799 
1 1 1 13  -4  27 o 69.78344 4.998067  1037.102       131.4047 1277.036       
258.0933 953.1421       152.6745 73.84181 8.325214 65.72507 5.532947 8.116745 
9.996134 
1 1 1 13  -4  28 o 32.19006 7.243838  194.2489       102.4179 475.4551       
208.6800 105.0209       117.5490 41.55407 11.55139 22.82605 8.744040 18.72802 
14.48768 
1 1 1 13  -4  29 o 31.23689 8.024261  266.5732       133.7396 263.7277       
223.9191 268.1512       166.7489 31.04842 12.02724 31.42535 10.62547 
-0.3769226     16.04852 
1 1 1 13  -4  30 o 35.69431 7.979576  367.5101       130.2237 426.8115       
215.7189 333.5084       163.3449 37.08268 12.08540 34.30593 10.42294 2.776745 
15.95915 
1 1 1 13  -4  31 o 20.83227 6.874171  -2.941064      132.9067 -277.9574      
329.1208 50.64528       145.2791 21.20742 10.44533 20.45712 8.939354 0.7503014 
13.74834 
1 1 1 13  -4  32 o 32.08047 8.472226  369.1258       137.8682 500.1455       
354.5445 345.7845       149.6458 30.94686 13.71293 33.21407 9.953384 -2.267216 
16.94445 
1 1 1 13  -3  0  o 95.85782 4.497263  1936.385       180.8518 2015.967       
255.1129 1855.987       256.4182 97.84621 6.210255 93.86943 6.506475 3.976784 
8.994526 
1 1 1 13  -3  1  f 95.03082 4.457772  1901.958       177.8343 1870.060       
251.4830 1933.862       251.5083 94.23125 6.356743 95.83038 6.251299 -1.599121 
8.915544 
1 1 1 13  -3  2  o 96.19896 3.931692  1950.145       158.5687 2047.326       
222.7282 1850.262       225.8034 98.64028 5.378262 93.75764 5.736472 4.882645 
7.863384 
1 1 1 13  -3  3  o 151.6936 4.414452  4845.204       280.9537 4606.927       
394.0661 5091.537       400.6732 147.8930 6.346620 155.4941 6.137585 -7.601074 
8.828903 
1 1 1 13  -3  4  o 77.51381 4.743766  1265.675       153.9516 1273.472       
226.5892 1258.989       209.8177 77.72464 6.943871 77.30299 6.464977 0.4216537 
9.487532 
1 1 1 13  -3  5  o 120.6965 4.298554  3084.402       216.6704 2823.806       
313.4266 3322.927       299.8600 115.7626 6.448946 125.6304 5.685188 -9.867805 
8.597108 
1 1 1 13  -3  6  o 372.7362 10.54209  29861.27       1619.261 30151.14       
2105.304 29441.42       2533.711 375.7412 13.34587 369.7312 16.32270 6.010010 
21.08419 
1 1 1 13  -3  7  o 177.8250 6.235456  6693.682       465.4219 6593.992       
661.6339 6791.333       654.8308 176.4958 8.929030 179.1542 8.706092 -2.658340 
12.47091 
1 1 1 13  -3  8  o 52.58739 5.853937  569.2701       126.5992 663.1347       
205.6582 511.9989       160.6437 55.95897 8.753818 49.21582 7.774638 6.743156 
11.70787 
1 1 1 13  -3  9  o 22.56043 6.804221  -0.6593475     113.2025 -20.14918      
171.7194 14.32068       150.5469 22.70175 9.817654 22.41910 9.423553 0.2826462 
13.60844 
1 1 1 13  -3  10 o 189.9150 6.567107  7582.815       478.6030 7870.104       
884.4934 7463.874       569.1180 191.9694 10.97447 187.8606 7.215855 4.108856 
13.13421 
1 1 1 13  -3  11 o 159.7423 6.082289  5399.579       407.0675 5062.544       
554.7526 5792.746       599.1707 154.3728 8.559524 165.1117 8.643581 -10.73891 
12.16458 
1 1 1 13  -3  12 o 157.9151 5.106818  5242.496       331.5503 5079.692       
424.6847 5496.591       530.5576 154.9412 6.528610 160.8891 7.854655 -5.947845 
10.21364 
1 1 1 13  -3  13 o 64.51790 5.655735  856.1833       150.2691 738.8203       
191.1076 1046.276       243.2180 58.94946 7.721812 70.08633 8.265772 -11.13686 
11.31147 
1 1 1 13  -3  14 f 115.5858 4.648008  2808.358       217.4693 2930.438       
362.1739 2739.526       271.9529 117.3817 7.349163 113.7899 5.692602 3.591743 
9.296016 
1 1 1 13  -3  15 o 44.91299 7.093600  448.4810       129.6094 476.1996       
196.3662 427.0834       172.5294 46.09109 10.39517 43.73489 9.654895 2.356197 
14.18720 
1 1 1 13  -3  16 o 107.6636 4.872237  2463.344       216.4149 2474.063       
339.2148 2455.985       281.0413 107.7328 7.499768 107.5943 6.221597 0.1385345 
9.744474 
1 1 1 13  -3  17 o 65.92757 5.407591  907.8540       147.8521 1132.713       
226.6542 741.2952       195.0710 72.92113 7.403405 58.93402 7.884019 13.98710 
10.81518 
1 1 1 13  -3  18 o 47.07969 7.056191  497.1478       137.4364 384.3726       
200.7844 596.5703       188.5235 41.37644 11.25988 52.78294 8.507322 -11.40650 
14.11238 
1 1 1 13  -3  19 o 107.9166 5.050826  2485.250       228.1973 2256.973       
320.5990 2719.668       324.8829 102.8216 7.426754 113.0116 6.847386 -10.19003 
10.10165 
1 1 1 13  -3  20 o 99.48233 5.026950  2142.084       206.2946 1957.577       
314.2524 2281.810       273.4698 95.47243 7.840102 103.4922 6.293943 -8.019798 
10.05390 
1 1 1 13  -3  21 o 29.36462 7.806088  95.49549       134.0299 -14.85397      
168.2465 287.1559       221.7313 22.26903 9.675347 36.46021 12.25266 -14.19118 
15.61218 
1 1 1 13  -3  22 o 41.61776 7.076820  378.3273       137.4384 644.2480       
200.2032 141.3011       189.0136 54.24662 8.790617 28.98890 11.09282 25.25772 
14.15364 
1 1 1 13  -3  23 o 95.98320 4.844384  2004.910       193.6531 2106.547       
262.4298 1883.399       286.9424 98.88300 6.321391 93.08340 7.342495 5.799606 
9.688767 
1 1 1 13  -3  24 o 45.13352 7.325643  476.9209       136.8089 593.1567       
200.0786 374.8532       187.4886 50.56071 9.774456 39.70633 10.91422 10.85439 
14.65129 
1 1 1 13  -3  25 o 64.87041 5.620174  938.8815       153.0144 969.7029       
217.2943 908.5650       215.5070 65.97600 7.844827 63.76482 8.050099 2.211174 
11.24035 
1 1 1 13  -3  26 f 121.8613 4.856004  3292.747       238.0506 3312.583       
397.0043 3281.611       297.4565 121.1773 7.803599 122.5452 5.781604 -1.367867 
9.712008 
1 1 1 13  -3  27 o 84.56438 4.622200  1485.664       145.2299 1848.032       
292.7721 1367.396       167.2590 89.89421 7.757450 79.23454 5.028011 10.65968 
9.244400 
1 1 1 13  -3  28 o 30.18970 7.484337  192.9281       110.7024 339.0587       
201.9988 130.1986       132.3471 35.56292 11.69476 24.81648 9.343115 10.74644 
14.96867 
1 1 1 13  -3  29 o 36.88435 7.718527  369.4320       126.6587 376.3788       
198.0186 364.6219       164.7737 36.69741 11.54282 37.07130 10.25017 
-0.3738823     15.43705 
1 1 1 13  -3  30 o 59.64368 6.521873  921.5599       141.7013 842.3322       
254.0954 957.3209       170.7115 54.81302 11.41778 64.47433 6.306626 -9.661316 
13.04375 
1 1 1 13  -3  31 o 28.27914 7.333667  235.3593       125.4326 -92.95113      
310.5027 299.3838       137.1187 23.51817 11.24076 33.04010 9.422102 -9.521927 
14.66733 
1 1 1 13  -3  32 o 20.24475 6.915904  -45.67891      130.7098 -70.64378      
344.0127 -41.46670      141.3073 23.18668 11.25083 17.30281 8.045969 5.883875 
13.83181 
1 1 1 13  -2  0  o 56.54671 5.073884  657.4851       117.8296 600.9777       
149.2854 750.8572       191.8990 53.41745 6.656642 59.67596 7.659393 -6.258511 
10.14777 
1 1 1 13  -2  1  o 257.3542 7.373029  14037.95       786.7389 14156.04       
1036.887 13877.73       1207.801 258.8010 9.543039 255.9075 11.24174 2.893433 
14.74606 
1 1 1 13  -2  2  o 314.4649 9.803316  21120.50       1272.765 20723.40       
1978.029 21401.08       1662.687 311.5050 15.12476 317.4248 12.47644 -5.919769 
19.60663 
1 1 1 13  -2  3  o 231.7614 7.244142  11372.87       704.3391 11195.81       
1011.038 11539.83       981.7779 229.9659 10.47189 233.5568 10.01248 -3.590942 
14.48828 
1 1 1 13  -2  4  o 122.5888 4.869048  3172.965       236.1372 3185.750       
289.4095 3147.503       408.4329 123.0373 5.602697 122.1404 7.964941 0.8968964 
9.738095 
1 1 1 13  -2  5  o 208.8384 6.752582  9276.905       575.9828 8993.226       
921.0109 9459.115       738.1372 206.0096 10.64875 211.6673 8.306240 -5.657715 
13.50516 
1 1 1 13  -2  6  o 230.2641 8.281096  11213.57       790.6492 10948.73       
1034.302 11585.90       1226.366 227.2045 10.84304 233.3237 12.51937 -6.119156 
16.56219 
1 1 1 13  -2  7  o 137.6294 4.735252  4014.957       272.0652 4301.824       
374.8585 3695.651       395.4865 142.8902 6.248645 132.3686 7.116523 10.52167 
9.470505 
1 1 1 13  -2  8  o 235.0296 8.108785  11636.31       769.2886 11340.53       
958.3162 12172.32       1290.070 231.2768 9.869562 238.7825 12.86862 -7.505676 
16.21757 
1 1 1 13  -2  9  o 150.7279 5.730281  4799.023       361.1214 4862.984       
537.1616 4746.277       487.8044 151.5963 8.439900 149.8595 7.753229 1.736847 
11.46056 
1 1 1 13  -2  10 o 123.7175 5.237927  3058.525       253.7951 2778.568       
302.2539 3727.750       467.3179 114.7646 6.273141 132.6704 8.389949 -17.90586 
10.47585 
1 1 1 13  -2  11 o 200.8107 6.296237  8474.227       483.6986 8351.998       
574.0410 8773.488       898.2195 198.7941 6.877974 202.8273 10.54817 -4.033218 
12.59247 
1 1 1 13  -2  12 o 187.0055 6.945005  7436.943       530.1862 7370.162       
674.0667 7545.282       858.5616 186.2426 8.620749 187.7684 10.89106 -1.525864 
13.89001 
1 1 1 13  -2  13 o 185.7730 7.555408  7380.897       586.3895 7601.500       
878.8832 7203.907       787.2269 188.1011 11.12912 183.4449 10.22152 4.656204 
15.11082 
1 1 1 13  -2  14 o 130.5066 5.080808  3623.766       275.6721 3554.240       
417.8444 3677.354       366.8357 129.2882 7.697977 131.7250 6.633219 -2.436798 
10.16162 
1 1 1 13  -2  15 f 93.33608 4.086809  1838.053       159.5218 1622.445       
219.5236 2079.292       232.2059 87.52840 5.973835 99.14376 5.578649 -11.61536 
8.173617 
1 1 1 13  -2  16 o 109.6405 4.402037  2522.776       200.9052 2752.553       
309.3304 2355.132       264.2184 113.8668 6.470629 105.4142 5.970150 8.452644 
8.804074 
1 1 1 13  -2  17 o 101.1691 4.926576  2158.148       207.5287 2587.201       
308.1159 1801.882       280.7669 110.3520 6.650513 91.98621 7.270164 18.36576 
9.853152 
1 1 1 13  -2  18 o 99.87813 5.075622  2092.897       211.0717 1894.649       
277.5396 2364.850       325.0628 94.38116 7.004233 105.3751 7.347683 -10.99392 
10.15124 
1 1 1 13  -2  19 o 59.71237 6.129608  753.3853       152.3446 849.6273       
235.0467 683.6661       200.0543 62.92035 8.897830 56.50440 8.433090 6.415947 
12.25922 
1 1 1 13  -2  20 f 105.8382 5.342971  2366.568       234.4303 2567.476       
367.0231 2228.115       304.6815 109.4763 7.985356 102.2000 7.100946 7.276337 
10.68594 
1 1 1 13  -2  21 o 28.03484 7.373923  91.60699       127.0108 -53.36998      
173.9145 257.3043       185.9276 21.55651 9.571464 34.51318 11.21990 -12.95667 
14.74785 
1 1 1 13  -2  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  -2  23 o 30.31268 8.082514  165.7549       140.3353 175.1718       
191.1821 154.7530       206.6470 30.46321 11.27658 30.16215 11.58218 0.3010635 
16.16503 
1 1 1 13  -2  24 o 29.28128 7.811170  156.6040       130.9862 171.7095       
191.0470 143.2044       179.9367 30.09551 11.24616 28.46706 10.84350 1.628458 
15.62234 
1 1 1 13  -2  25 o 25.27450 7.387992  62.66862       128.2683 108.3523       
185.1678 20.52400       177.8508 27.01724 10.80425 23.53175 10.07958 3.485495 
14.77598 
1 1 1 13  -2  26 o 43.14832 6.925565  313.2637       111.2293 801.2092       
242.5780 183.3613       125.1625 57.91241 10.35039 28.38424 9.204518 29.52817 
13.85113 
1 1 1 13  -2  27 o 30.68868 7.317880  153.9888       104.8519 399.2546       
208.6206 71.09453       121.2832 39.49927 11.73501 21.87809 8.746147 17.62118 
14.63576 
1 1 1 13  -2  28 o 26.88161 7.020561  161.0583       101.8218 101.6317       
192.6149 184.1056       119.9523 25.95388 10.76892 27.80934 9.010185 -1.855452 
14.04112 
1 1 1 13  -2  29 o 39.54366 7.683969  413.4390       126.1927 417.7927       
225.5384 411.4549       152.2560 38.52010 12.34242 40.56721 9.156324 -2.047104 
15.36794 
1 1 1 13  -2  30 o 54.36185 6.804543  760.4759       137.4190 723.8397       
246.6813 776.9608       165.4724 50.78438 11.78695 57.93932 6.802573 -7.154938 
13.60909 
1 1 1 13  -2  31 o 25.45541 7.619054  132.2825       134.3583 -177.1170      
354.2636 184.2629       145.2067 24.09451 11.63356 26.81630 9.841757 -2.721783 
15.23811 
1 1 1 13  -2  32 o 23.04768 7.589374  27.46495       123.7988 154.7908       
346.1159 8.785793       132.5690 27.46186 12.70152 18.63350 8.310583 8.828358 
15.17875 
1 1 1 13  -2  33 o 21.83715 7.075608  74.33891       124.6201 -115.2103      
355.6147 100.8754       133.0578 22.39262 11.00388 21.28169 8.897835 1.110931 
14.15122 
1 1 1 13  -1  0  o 373.5318 11.90734  29980.06       1859.496 28482.02       
2712.415 31308.40       2554.163 364.2951 17.73470 382.7685 15.89401 -18.47339 
23.81469 
1 1 1 13  -1  1  o 236.6564 7.358398  11840.22       730.7756 12064.88       
1052.740 11631.28       1015.226 238.8055 10.50021 234.5074 10.31163 4.298065 
14.71680 
1 1 1 13  -1  2  o 166.3254 5.530566  5617.732       336.8339 5407.016       
387.0758 6275.054       683.6544 160.3033 5.751415 172.3476 9.448273 -12.04433 
11.06113 
1 1 1 13  -1  3  o 522.3403 19.29025  60293.12       4226.290 58713.21       
5826.095 62047.86       6140.005 515.4777 26.92085 529.2029 27.63552 -13.72522 
38.58049 
1 1 1 13  -1  4  o 149.6101 5.424667  4642.590       325.5991 4469.443       
401.3206 4976.072       556.9573 145.6825 6.561531 153.5378 8.640276 -7.855316 
10.84933 
1 1 1 13  -1  5  o 181.8057 6.078459  7002.294       462.0226 7317.427       
634.5189 6646.649       674.0707 186.2309 8.115472 177.3804 9.051506 8.850494 
12.15692 
1 1 1 13  -1  6  o 124.0646 4.861468  3202.166       249.2970 3471.350       
394.6319 3023.404       321.5922 128.3160 7.325418 119.8131 6.393258 8.502914 
9.722937 
1 1 1 13  -1  7  o 64.67438 5.139390  880.8675       139.2057 798.1278       
193.2480 970.1083       200.6965 61.51300 7.482889 67.83576 7.046965 -6.322765 
10.27878 
1 1 1 13  -1  8  o 270.0377 7.315376  15429.20       827.9034 14981.25       
1131.716 15944.90       1214.307 265.8822 10.13840 274.1933 10.54855 -8.311127 
14.63075 
1 1 1 13  -1  9  o 38.04371 7.324743  283.2609       121.2089 175.1934       
152.1346 471.0782       200.5619 29.88111 10.14918 46.20632 10.56417 -16.32522 
14.64949 
1 1 1 13  -1  10 o 295.0660 11.01043  18566.44       1213.177 18319.72       
1419.008 19236.69       2338.815 293.2338 11.52635 296.8982 18.76331 -3.664429 
22.02086 
1 1 1 13  -1  11 o 105.2912 5.321218  2259.030       218.8438 2124.208       
261.3964 2575.000       400.1675 100.3494 6.204487 110.2330 8.646720 -9.883575 
10.64244 
1 1 1 13  -1  12 o 106.2967 5.344863  2391.167       238.4942 2412.513       
340.5999 2370.633       334.0588 106.7574 7.599197 105.8360 7.518142 0.9213409 
10.68973 
1 1 1 13  -1  13 o 178.2808 5.843652  6774.102       435.1985 7065.014       
594.8598 6439.078       638.3684 182.5339 7.762331 174.0277 8.737237 8.506226 
11.68730 
1 1 1 13  -1  14 o 75.24603 5.313180  1203.311       166.1068 1188.985       
252.9432 1214.173       220.2555 74.79083 8.055560 75.70123 6.930185 
-0.9104004     10.62636 
1 1 1 13  -1  15 o 154.8736 5.900437  4942.953       359.8509 5606.983       
646.7343 4645.186       433.0823 161.7953 9.520965 147.9519 6.972219 13.84349 
11.80087 
1 1 1 13  -1  16 o 65.18809 5.539196  914.0587       149.2272 853.8870       
227.7140 959.3503       197.5616 63.19052 8.583390 67.18566 7.004014 -3.995144 
11.07839 
1 1 1 13  -1  17 o 40.40546 7.571408  365.3720       129.6079 368.1206       
198.0622 363.3137       171.4014 40.54747 11.24783 40.26345 10.13860 0.2840118 
15.14282 
1 1 1 13  -1  18 o 232.8386 8.487906  11804.71       753.5451 11866.98       
1391.475 11778.87       896.3601 231.4195 14.32176 234.2577 9.114017 -2.838196 
16.97581 
1 1 1 13  -1  19 o 48.93333 7.028562  547.3953       141.2453 335.6497       
204.5765 740.2775       195.2516 38.97873 11.62894 58.88793 7.897497 -19.90920 
14.05712 
1 1 1 13  -1  20 o 56.30135 6.977721  705.3256       158.7820 570.4947       
228.2907 831.6714       220.9906 50.30280 11.10712 62.29990 8.449043 -11.99710 
13.95544 
1 1 1 13  -1  21 o 38.84071 8.287323  337.0014       146.8073 301.5029       
214.4429 368.3142       201.4038 37.28477 12.04389 40.39664 11.38699 -3.111874 
16.57465 
1 1 1 13  -1  22 o 48.62837 6.703782  536.4543       132.7514 672.9762       
184.8923 391.1889       190.7210 55.88078 7.880928 41.37596 10.84683 14.50481 
13.40756 
1 1 1 13  -1  23 o 43.47645 11.32901  438.9359       208.8503 0.000000       
0.000000 438.9359       208.8503 ?        ?        43.47645 11.32901 ? ? 
1 1 1 13  -1  24 o 93.43526 4.788237  1884.942       187.6393 1997.388       
267.3535 1775.786       263.4143 96.24004 6.616849 90.63047 6.922872 5.609566 
9.576473 
1 1 1 13  -1  25 o 22.62829 7.007137  -62.13782      134.5452 82.46571       
190.6036 -205.7507      189.9495 26.47055 10.81276 18.78603 8.915391 7.684521 
14.01427 
1 1 1 13  -1  26 o 38.09089 7.372375  338.0685       115.2166 369.1031       
206.5861 324.0570       138.8099 38.97004 11.69802 37.21173 8.975747 1.758308 
14.74475 
1 1 1 13  -1  27 o 41.22298 7.088166  410.0008       112.8711 408.3331       
213.1165 410.6509       133.0661 40.24448 11.83488 42.20148 7.804099 -1.956993 
14.17633 
1 1 1 13  -1  28 o 20.57029 6.423081  -0.9085103     100.3180 -16.28804      
188.1853 5.197018       118.5703 22.33795 9.933852 18.80264 8.145089 3.535318 
12.84616 
1 1 1 13  -1  29 o 45.26538 6.927649  517.3729       125.3299 493.5756       
201.2685 532.4445       160.1741 43.41863 11.01861 47.11214 8.399967 -3.693512 
13.85530 
1 1 1 13  -1  30 o 25.24383 7.703092  52.53516       128.8918 211.7485       
262.1313 1.766605       148.0221 30.38581 12.58254 20.10185 8.889889 10.28396 
15.40618 
1 1 1 13  -1  31 o 33.14680 7.707430  328.6917       122.0315 106.3459       
335.7547 362.5339       130.9897 28.36682 12.89502 37.92679 8.446080 -9.559973 
15.41486 
1 1 1 13  -1  32 o 21.67638 7.240849  -19.24711      121.7500 -6.476151      
335.4371 -21.18483      130.6604 25.52860 12.01395 17.82416 8.086073 7.704439 
14.48170 
1 1 1 13  -1  33 o 21.60998 7.303868  -16.41992      143.7617 -10.31615      
360.3683 -17.57516      156.7772 24.44505 11.78567 18.77491 8.630410 5.670147 
14.60774 
1 1 1 13  -1  34 f 36.65103 7.469193  536.9158       142.9041 262.7862       
331.5793 599.4487       158.3668 26.63211 12.36140 46.66996 8.387568 -20.03785 
14.93839 
1 1 1 13  0   0  o 493.0314 13.06844  52282.24       2696.094 51464.50       
3958.514 52989.80       3682.172 488.9292 19.28445 497.1335 17.64217 -8.204285 
26.13688 
1 1 1 13  0   1  o 200.9374 6.935247  8533.776       584.7905 8624.530       
817.3289 8438.588       837.0613 202.0552 9.634914 199.8196 9.977926 2.235626 
13.87049 
1 1 1 13  0   2  o 309.4623 7.772958  20182.30       997.4529 19730.78       
1305.286 20816.03       1546.387 305.5016 10.17685 313.4231 11.75191 -7.921509 
15.54592 
1 1 1 13  0   3  o 65.20241 4.859016  906.3801       131.3587 791.4918       
192.9983 1005.534       179.2961 61.28518 7.500999 69.11964 6.178606 -7.834454 
9.718032 
1 1 1 13  0   4  o 146.7245 5.465505  4563.902       333.9894 4782.748       
451.6435 4299.796       496.1525 150.6733 7.139710 142.7758 8.277168 7.897522 
10.93101 
1 1 1 13  0   5  o 301.5511 10.51926  19258.37       1297.291 18803.84       
1648.737 19997.21       2102.041 297.4185 13.20397 305.6837 16.37909 -8.265198 
21.03852 
1 1 1 13  0   6  o 225.7868 6.709115  10881.55       622.4747 10210.77       
969.3389 11352.28       812.0290 219.6325 10.51236 231.9410 8.339020 -12.30855 
13.41823 
1 1 1 13  0   7  o 86.03308 5.136267  1560.970       185.3199 1651.500       
262.9748 1471.660       261.1981 88.52135 7.075990 83.54482 7.446833 4.976532 
10.27253 
1 1 1 13  0   8  o 284.9651 9.319384  17409.39       1076.957 17745.36       
1365.437 16856.33       1751.879 289.1924 11.24620 280.7380 14.86360 8.454376 
18.63877 
1 1 1 13  0   9  f 137.7977 5.705842  3910.276       305.3920 3756.635       
364.5072 4272.116       559.3834 133.5140 6.502799 142.0813 9.377642 -8.567291 
11.41168 
1 1 1 13  0   10 o 94.10645 4.007442  1867.549       158.0422 1994.139       
223.2601 1740.401       223.7516 97.31791 5.464363 90.89498 5.863370 6.422928 
8.014884 
1 1 1 13  0   11 o 210.7206 6.775181  9402.293       594.0871 9298.093       
787.5462 9539.884       904.9720 209.5065 8.953638 211.9347 10.17078 -2.428192 
13.55036 
1 1 1 13  0   12 o 91.71968 4.731008  1792.828       180.4502 1578.646       
262.3457 1985.151       248.5990 86.42728 7.230098 97.01207 6.103722 -10.58479 
9.462016 
1 1 1 13  0   13 o 130.1424 4.675541  3587.074       254.8044 3333.317       
363.4168 3832.437       357.3552 125.5678 6.893627 134.7170 6.318279 -9.149193 
9.351082 
1 1 1 13  0   14 o 48.10595 6.773864  511.6126       131.7889 491.1315       
191.7830 529.9372       181.4051 47.08580 10.00295 49.12610 9.136839 -2.040306 
13.54773 
1 1 1 13  0   15 o 106.7217 5.039608  2433.976       224.0120 2167.952       
324.6767 2675.668       309.4717 101.0301 7.654579 112.4133 6.557289 -11.38319 
10.07922 
1 1 1 13  0   16 o 90.88957 4.741620  1753.416       180.4365 1736.882       
264.4606 1767.815       246.8048 90.45135 6.964131 91.32779 6.436826 
-0.8764343     9.483240 
1 1 1 13  0   17 o 78.90005 5.182115  1331.487       170.4904 1260.836       
252.1352 1391.003       231.4150 76.88803 7.810805 80.91206 6.812386 -4.024033 
10.36423 
1 1 1 13  0   18 o 71.80484 5.298449  1088.135       158.2318 1320.165       
235.7496 897.9159       213.4550 78.75373 7.130185 64.85594 7.839306 13.89779 
10.59690 
1 1 1 13  0   19 o 63.03763 5.624942  864.8445       145.1014 759.3514       
223.3388 941.8969       190.8733 59.50735 8.939529 66.56792 6.829694 -7.060570 
11.24988 
1 1 1 13  0   20 o 84.80731 5.008097  1531.936       177.5825 1515.981       
262.5073 1545.398       241.1314 84.34457 7.413192 85.27004 6.735631 
-0.9254684     10.01619 
1 1 1 13  0   21 o 83.65591 5.310689  1471.185       185.0482 1298.227       
244.1985 1704.449       283.5933 77.98067 7.458940 89.33115 7.561606 -11.35048 
10.62138 
1 1 1 13  0   22 o 109.9130 5.267513  2590.881       242.8720 2507.095       
346.3846 2671.907       340.6335 108.1080 7.631709 111.7179 7.262491 -3.609924 
10.53503 
1 1 1 13  0   23 o 136.7243 5.046714  3991.827       286.2994 3856.033       
374.5419 4182.701       444.0514 134.1546 6.649913 139.2939 7.593152 -5.139374 
10.09343 
1 1 1 13  0   24 o 58.95834 6.247462  762.4056       154.3637 775.6170       
213.2872 747.8740       223.6906 59.58022 8.526756 58.33648 9.133320 1.243740 
12.49492 
1 1 1 13  0   25 o 75.38482 7.680413  1240.251       243.0790 1240.251       
243.0790 0.000000       0.000000 75.38482 7.680413 ?        ?        ? ? 
1 1 1 13  0   26 o 34.06271 7.303409  284.0173       116.6766 146.0693       
211.9830 343.9707       139.7496 29.56224 11.64374 38.56318 8.819433 -9.000938 
14.60682 
1 1 1 13  0   27 o 83.21364 4.839893  1473.434       150.2330 1638.190       
294.1966 1415.316       174.7332 85.41514 8.203965 81.01215 5.137434 4.402992 
9.679787 
1 1 1 13  0   28 o 31.88015 7.344495  239.0102       108.0710 250.3510       
192.2180 233.7684       130.6815 32.47552 11.38109 31.28477 9.286401 1.190752 
14.68899 
1 1 1 13  0   29 o 21.31645 6.599506  8.398640       104.6177 39.28590       
188.0797 -5.439643      125.8906 23.79017 10.28135 18.84273 8.276948 4.947445 
13.19901 
1 1 1 13  0   30 o 34.54533 7.933316  308.2892       128.1731 364.3214       
210.8377 275.4421       161.4279 36.44999 11.94788 32.64067 10.44021 3.809322 
15.86663 
1 1 1 13  0   31 o 73.25322 8.130572  1408.228       166.9141 1456.127       
423.5521 1399.422       181.6108 67.38796 15.31443 79.11847 5.467451 -11.73051 
16.26114 
1 1 1 13  0   32 o 33.08508 9.008115  248.9604       132.0415 566.6623       
356.8434 198.5601       142.1296 38.58327 15.13410 27.58689 9.774645 10.99638 
18.01623 
1 1 1 13  0   33 o 25.64857 8.152251  93.22149       134.5304 302.6738       
354.7238 58.03410       145.3922 30.36380 13.56686 20.93334 9.043070 9.430462 
16.30450 
1 1 1 13  0   34 o 18.03678 5.978177  -88.35462      125.3974 -421.6549      
226.7667 58.45728       150.5020 15.74101 7.892163 20.33254 8.981546 -4.591537 
11.95635 
1 1 1 13  1   0  o 313.9515 8.592560  20903.74       1128.066 20798.18       
1668.905 20992.55       1530.693 313.0804 12.69687 314.8226 11.58092 -1.742249 
17.18512 
1 1 1 13  1   1  f 365.7738 10.49634  28567.13       1584.791 28089.86       
2465.882 28903.00       2068.572 362.6626 16.19536 368.8850 13.35674 -6.222443 
20.99267 
1 1 1 13  1   2  o 351.2830 10.54217  26355.47       1505.508 26573.95       
1909.974 25997.02       2446.491 353.8646 12.85616 348.7013 16.71134 5.163239 
21.08435 
1 1 1 13  1   3  o 322.4541 9.976317  22163.30       1338.881 21741.76       
2019.996 22493.60       1788.073 319.4180 15.06302 325.4902 13.08484 -6.072144 
19.95263 
1 1 1 13  1   4  o 304.8343 9.875878  19703.08       1161.452 19609.43       
1390.408 19919.30       2112.708 304.4210 10.87899 305.2476 16.48573 
-0.8266602     19.75176 
1 1 1 13  1   5  o 120.7411 5.212662  2943.764       255.8845 2596.909       
317.4811 3586.819       432.2827 111.0471 6.809762 130.4351 7.893953 -19.38800 
10.42532 
1 1 1 13  1   6  o 202.7827 6.338954  8671.747       514.7819 8648.641       
638.2326 8714.766       870.8396 202.5702 7.504549 202.9953 10.21817 
-0.4250946     12.67791 
1 1 1 13  1   7  o 99.59329 4.677936  2084.456       195.3712 1993.344       
268.5703 2186.862       284.7306 97.28876 6.575311 101.8978 6.655646 -4.609070 
9.355872 
1 1 1 13  1   8  o 213.9703 7.518423  9707.626       662.2108 9644.625       
1042.557 9750.235       857.3813 213.1963 11.64773 214.7442 9.509849 -1.547882 
15.03685 
1 1 1 13  1   9  o 190.9190 6.918397  7726.593       553.1976 7511.964       
804.1105 7919.454       762.2462 188.3353 10.16963 193.5028 9.382727 -5.167496 
13.83679 
1 1 1 13  1   10 o 277.1413 9.609703  16324.92       1083.028 16092.33       
1367.003 16717.02       1774.939 275.0726 11.83704 279.2099 15.14166 -4.137299 
19.21941 
1 1 1 13  1   11 o 157.4243 4.736192  5162.677       301.6188 4996.353       
376.1471 5462.229       504.7958 154.0062 5.817556 160.8424 7.475432 -6.836227 
9.472383 
1 1 1 13  1   12 o 190.7818 7.175264  7734.395       539.8885 7727.367       
940.3203 7737.850       659.4079 190.3248 11.76797 191.2387 8.212953 
-0.9139404     14.35053 
1 1 1 13  1   13 o 99.83153 4.726245  2098.093       195.5614 2064.205       
255.9324 2145.640       303.1575 98.91061 6.163161 100.7524 7.166939 -1.841843 
9.452491 
1 1 1 13  1   14 o 86.67542 4.432647  1585.978       160.1837 1592.860       
241.3564 1580.561       214.1450 86.81276 6.622108 86.53806 5.894159 0.2746964 
8.865294 
1 1 1 13  1   15 o 52.83149 6.580741  622.6707       139.0001 496.8507       
208.1705 723.9025       186.7250 47.24638 10.73585 58.41660 7.613552 -11.17022 
13.16148 
1 1 1 13  1   16 o 82.86541 5.089375  1456.441       177.0002 1408.370       
247.1212 1507.082       253.6381 81.45859 7.225936 84.27223 7.168876 -2.813644 
10.17875 
1 1 1 13  1   17 o 53.94981 5.861828  616.6942       132.2205 672.7881       
198.3208 571.8110       177.3996 56.12830 8.416035 51.77133 8.161770 4.356972 
11.72366 
1 1 1 13  1   18 o 78.85089 5.209425  1320.644       171.6419 1360.453       
257.0264 1288.601       230.5956 79.87359 7.664709 77.82819 7.057243 2.045395 
10.41885 
1 1 1 13  1   19 o 58.12318 6.056410  723.6088       147.6480 763.0060       
209.5852 684.7922       208.0350 59.72145 8.358941 56.52489 8.766329 3.196560 
12.11282 
1 1 1 13  1   20 o 163.2856 6.771725  5703.470       460.9728 5998.430       
701.1039 5478.859       611.8092 166.8002 10.01168 159.7710 9.120932 7.029282 
13.54345 
1 1 1 13  1   21 o 143.6779 6.322122  4427.365       378.0292 4467.027       
574.5662 4397.091       501.9830 144.0381 9.501317 143.3177 8.342772 0.7204132 
12.64424 
1 1 1 13  1   22 o 80.28598 4.902169  1360.161       164.2623 1243.896       
218.3092 1511.881       249.3837 76.39558 6.806518 84.17637 7.056655 -7.780785 
9.804338 
1 1 1 13  1   23 o 29.99053 7.778430  163.2256       126.7390 149.2669       
165.3427 183.1111       197.3462 28.62641 10.50239 31.35464 11.47674 -2.728226 
15.55686 
1 1 1 13  1   24 o 146.3188 4.988066  4537.516       303.6923 4091.281       
398.3562 5156.786       469.2773 137.9507 6.878104 154.6869 7.225988 -16.73616 
9.976132 
1 1 1 13  1   25 o 78.59361 4.510622  1290.856       138.6887 1434.434       
251.1511 1227.865       166.3526 81.33457 7.354971 75.85266 5.223719 5.481911 
9.021244 
1 1 1 13  1   26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  1   27 o 25.27414 7.080193  100.9463       106.1864 52.56205       
199.2010 120.1525       125.5045 25.61787 10.80736 24.93041 9.149732 0.6874542 
14.16039 
1 1 1 13  1   28 o 32.96100 6.573883  284.7591       104.8331 69.71815       
192.8158 375.0027       124.9079 25.53856 10.69647 40.38345 7.645210 -14.84489 
13.14777 
1 1 1 13  1   29 o 40.13371 6.657475  419.9944       110.1516 277.8570       
192.7884 488.8849       134.2166 33.51479 11.42503 46.75262 6.837879 -13.23783 
13.31495 
1 1 1 13  1   30 o 61.08759 6.764030  905.1964       148.1486 913.8181       
282.3039 901.9195       174.0396 58.87560 11.83724 63.29957 6.548898 -4.423973 
13.52806 
1 1 1 13  1   31 o 27.97104 8.418431  98.67963       126.3629 326.1544       
334.5645 60.83049       136.4713 34.33332 14.21599 21.60877 9.021395 12.72455 
16.83686 
1 1 1 13  1   32 o 33.66126 8.689684  315.6757       141.1713 335.5471       
342.4247 311.6066       154.9525 33.37696 14.12942 33.94557 10.11938 
-0.5686150     17.37937 
1 1 1 13  1   33 o 60.17329 8.754443  1065.617       153.9242 1112.327       
404.9508 1057.729       166.4148 52.49860 16.50545 67.84798 5.842195 -15.34938 
17.50889 
1 1 1 13  1   34 o 26.62773 7.064937  203.8211       128.9056 -96.61050      
245.5628 318.0991       151.4506 20.69511 9.916553 32.56035 10.06555 -11.86524 
14.12987 
1 1 1 13  1   35 o 29.21528 6.640842  286.2010       130.8415 -158.3146      
247.5121 458.5936       154.1389 19.12329 9.338815 39.30727 9.444029 -20.18398 
13.28168 
1 1 1 13  2   0  o 106.9084 6.213196  2405.337       278.8726 0.000000       
0.000000 2405.337       278.8726 ?        ?        106.9084 6.213196 ? ? 
1 1 1 13  2   1  o 121.2083 6.168739  3091.649       313.9119 0.000000       
0.000000 3091.649       313.9119 ?        ?        121.2083 6.168739 ? ? 
1 1 1 13  2   2  o 207.2716 6.540582  9079.361       564.5344 8981.050       
851.9991 9156.304       753.7438 206.1945 9.841995 208.3487 8.616960 -2.154221 
13.08116 
1 1 1 13  2   3  o 185.7957 4.996716  7271.546       389.5165 7222.274       
559.8391 7317.780       542.2986 185.1739 7.201193 186.4175 6.929035 -1.243607 
9.993433 
1 1 1 13  2   4  o 239.4403 8.024982  12121.80       802.6212 11989.27       
1079.341 12285.75       1200.450 238.0734 10.79863 240.8072 11.87396 -2.733810 
16.04996 
1 1 1 13  2   5  o 378.0291 12.08457  30510.93       1770.292 30390.19       
2127.841 30782.39       3190.714 378.2169 13.40045 377.8412 20.11405 0.3756714 
24.16914 
1 1 1 13  2   6  o 93.81095 4.892250  1830.991       190.6418 2003.544       
296.4466 1709.304       248.9478 97.51935 7.240636 90.10255 6.581005 7.416794 
9.784499 
1 1 1 13  2   7  o 227.7913 8.069058  11000.86       771.0637 10526.44       
1092.656 11471.47       1088.255 222.8462 11.67883 232.7363 11.13749 -9.890137 
16.13812 
1 1 1 13  2   8  o 96.16801 5.435250  1973.029       213.6637 2060.453       
276.1249 1842.569       337.3082 98.90814 6.649587 93.42789 8.599464 5.480255 
10.87050 
1 1 1 13  2   9  o 204.9899 7.589276  8906.574       652.8921 9123.813       
919.0742 8685.264       927.6431 207.5466 10.54766 202.4331 10.91492 5.113480 
15.17855 
1 1 1 13  2   10 o 185.7400 5.866890  7279.328       445.3428 7313.856       
717.8194 7257.721       567.8386 185.9708 9.193723 185.5092 7.290888 0.4615784 
11.73378 
1 1 1 13  2   11 o 96.41980 5.122002  1958.187       207.1527 1884.702       
285.6386 2039.718       300.8708 94.51778 7.198208 98.32182 7.288718 -3.804039 
10.24400 
1 1 1 13  2   12 o 131.9671 5.489156  3679.095       304.0974 3745.836       
432.7414 3613.984       427.4253 133.1517 7.741103 130.7825 7.784514 2.369156 
10.97831 
1 1 1 13  2   13 o 95.36839 4.769665  1889.205       188.9553 2130.670       
294.4733 1720.195       246.3630 100.4468 6.982822 90.29002 6.499155 10.15675 
9.539330 
1 1 1 13  2   14 o 98.20120 4.942940  2014.262       199.1904 2150.010       
321.7000 1929.859       253.6653 100.7908 7.602409 95.61160 6.319337 5.179222 
9.885880 
1 1 1 13  2   15 o 136.4316 5.570476  3949.593       304.1069 3940.973       
514.1993 3954.230       377.1332 136.1047 8.998695 136.7585 6.568430 
-0.6538239     11.14095 
1 1 1 13  2   16 o 174.3057 6.135020  6488.325       444.5998 6603.960       
592.2722 6339.046       672.9430 176.2769 8.002893 172.3345 9.300946 3.942413 
12.27004 
1 1 1 13  2   17 o 110.3415 5.070811  2575.629       234.4563 2772.896       
344.1180 2404.720       320.3040 114.2693 7.172968 106.4137 7.169451 7.855621 
10.14162 
1 1 1 13  2   18 o 35.38514 7.907213  258.4349       132.2531 344.9912       
201.4711 192.8955       175.3134 39.44424 11.47748 31.32604 10.87950 8.118200 
15.81443 
1 1 1 13  2   19 o 183.5045 6.775461  7231.541       506.6623 7312.063       
823.0021 7182.398       642.9416 183.7854 10.66623 183.2236 8.358171 0.5618286 
13.55092 
1 1 1 13  2   20 o 120.1381 4.496772  3063.338       225.8989 3068.468       
306.2658 3057.216       334.5421 120.3074 6.063557 119.9688 6.642072 0.3385620 
8.993545 
1 1 1 13  2   21 o 102.4159 4.502208  2210.547       190.9823 2320.139       
298.3607 2134.473       248.5820 104.4716 6.802433 100.3601 5.899696 4.111534 
9.004416 
1 1 1 13  2   22 o 42.37265 7.200820  407.6825       125.2133 431.3339       
162.5398 373.1588       196.3774 44.00903 9.105449 40.73626 11.15787 3.272766 
14.40164 
1 1 1 13  2   23 o 79.09464 4.599748  1271.848       147.5786 1110.807       
182.3547 1577.534       251.2390 72.26435 6.010547 85.92493 6.964484 -13.66058 
9.199495 
1 1 1 13  2   24 o 97.91983 5.036386  2094.308       202.6486 2280.962       
268.8150 1848.590       308.4283 103.3310 6.196466 92.50869 7.941320 10.82229 
10.07277 
1 1 1 13  2   25 o 89.38983 4.997077  1714.000       166.2711 1745.662       
320.7411 1702.365       194.4371 89.39165 8.546312 89.38802 5.181088 
0.3639221E-02  9.994155 
1 1 1 13  2   26 o 81.01129 4.283935  1296.898       131.0559 1682.437       
260.2563 1165.921       151.6926 88.08247 7.037733 73.94010 4.886584 14.14237 
8.567870 
1 1 1 13  2   27 f 83.54604 4.665125  1498.585       151.4843 1568.519       
273.5428 1467.651       181.9285 84.40279 7.719506 82.68930 5.240497 1.713486 
9.330251 
1 1 1 13  2   28 o 50.33752 6.027246  617.7704       108.7126 491.1748       
199.5323 671.2148       129.6447 45.00257 10.70256 55.67247 5.546709 -10.66990 
12.05449 
1 1 1 13  2   29 o 56.48864 5.370687  700.4273       119.5528 774.2581       
212.4317 666.2039       144.6311 57.99527 8.724648 54.98202 6.265591 3.013245 
10.74137 
1 1 1 13  2   30 o 25.29805 7.066752  93.33863       129.6701 -423.6588      
294.5470 217.6240       144.4177 20.62316 10.09827 29.97295 9.888426 -9.349792 
14.13350 
1 1 1 13  2   31 o 70.16924 7.869937  1135.881       171.3900 1505.098       
416.8048 1060.748       188.0213 71.90348 14.31497 68.43501 6.544100 3.468475 
15.73987 
1 1 1 13  2   32 o 27.41139 8.244175  126.0517       125.6352 226.7755       
333.6983 109.4163       135.6137 31.33012 13.61933 23.49265 9.294054 7.837467 
16.48835 
1 1 1 13  2   33 f 24.98228 7.704766  101.9357       129.3781 60.41404       
311.0005 110.6253       142.2735 26.59723 12.19647 23.36734 9.418060 3.229895 
15.40953 
1 1 1 13  2   34 o 31.77065 6.564440  289.2146       127.8234 -85.48993      
210.6571 507.5725       160.8112 20.05396 9.461797 43.48734 9.101751 -23.43337 
13.12888 
1 1 1 13  2   35 o 33.79548 7.350016  400.4638       132.2255 201.8996       
217.9006 516.1956       166.3544 25.70631 11.08739 41.88465 9.651981 -16.17834 
14.70003 
1 1 1 13  3   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  3   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  3   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  3   3  o 149.2341 8.304681  4695.720       520.3192 0.000000       
0.000000 4695.720       520.3192 ?        ?        149.2341 8.304681 ? ? 
1 1 1 13  3   4  o 147.0757 5.159404  4563.651       313.2158 4516.297       
488.5811 4596.691       408.1090 146.3797 7.950177 147.7717 6.578183 -1.392014 
10.31881 
1 1 1 13  3   5  o 191.6202 6.303939  7643.743       476.1681 7452.345       
577.5496 8049.976       841.4106 188.0878 7.313912 195.1526 10.26963 -7.064758 
12.60788 
1 1 1 13  3   6  f 298.9203 10.06251  19030.05       1253.540 19166.26       
1678.132 18858.11       1885.475 300.3836 13.30672 297.4570 15.09793 2.926575 
20.12502 
1 1 1 13  3   7  o 361.2529 14.89699  28204.93       2247.924 27905.14       
3024.487 28574.92       3360.008 359.6284 20.03174 362.8774 22.05472 -3.248993 
29.79398 
1 1 1 13  3   8  f 320.2585 12.85211  21971.39       1720.860 21259.45       
2315.309 22850.11       2572.247 314.7474 17.52136 325.7697 18.80715 -11.02228 
25.70422 
1 1 1 13  3   9  o 351.2636 11.64352  26171.60       1678.086 27712.29       
2705.453 25208.24       2139.335 358.8982 17.95518 343.6291 14.82894 15.26910 
23.28703 
1 1 1 13  3   10 o 255.4713 8.707360  13692.35       887.0346 13309.19       
1088.283 14450.73       1531.079 250.6853 10.34032 260.2574 14.01250 -9.572006 
17.41472 
1 1 1 13  3   11 f 70.22739 5.205332  1039.021       153.0711 1147.651       
220.7043 938.3354       212.4801 73.77052 7.126055 66.68426 7.589551 7.086258 
10.41066 
1 1 1 13  3   12 o 171.1619 5.305660  6235.659       376.0526 5839.083       
570.6873 6540.007       499.9440 166.2216 8.177713 176.1023 6.762036 -9.880707 
10.61132 
1 1 1 13  3   13 o 59.08714 5.771426  737.5586       143.0172 787.4143       
205.8625 691.0490       198.8344 61.02166 8.035525 57.15261 8.286601 3.869049 
11.54285 
1 1 1 13  3   14 o 199.8958 7.448790  8556.498       613.1605 8258.884       
956.2195 8764.327       799.0672 196.6275 11.58336 203.1641 9.368227 -6.536652 
14.89758 
1 1 1 13  3   15 o 106.0135 5.216443  2321.061       226.1907 2629.642       
372.4943 2140.815       284.6870 111.3873 7.965351 100.6396 6.737825 10.74771 
10.43289 
1 1 1 13  3   16 o 144.4893 5.692559  4428.625       345.1303 4585.224       
498.1204 4284.035       478.6384 146.9384 8.074582 142.0403 8.026333 4.898163 
11.38512 
1 1 1 13  3   17 o 148.6414 5.154819  4674.969       312.7324 4752.126       
507.0694 4627.604       397.2905 149.4407 8.082017 147.8421 6.400753 1.598541 
10.30964 
1 1 1 13  3   18 o 141.4880 6.018635  4283.876       356.8317 4475.536       
497.6282 4081.027       511.9490 144.8438 8.183254 138.1322 8.827809 6.711670 
12.03727 
1 1 1 13  3   19 o 85.53279 5.123192  1516.630       180.3294 1762.104       
292.1891 1365.607       229.1841 90.90717 7.655736 80.15840 6.810146 10.74877 
10.24638 
1 1 1 13  3   20 o 144.4690 5.849364  4459.800       354.6105 4575.842       
511.3363 4352.281       492.2007 146.2603 8.327245 142.6776 8.216888 3.582626 
11.69873 
1 1 1 13  3   21 o 140.9817 6.163678  4247.378       364.2670 4074.566       
498.6009 4445.205       533.4675 137.9484 8.609096 144.0149 8.823105 -6.066574 
12.32736 
1 1 1 13  3   22 o 146.5390 4.797596  4570.125       294.8675 4351.925       
417.9182 4786.427       416.0988 143.0036 6.960901 150.0745 6.604056 -7.070877 
9.595191 
1 1 1 13  3   23 o 80.75858 4.792314  1380.070       160.1291 1334.596       
207.9416 1446.327       251.0009 79.22552 6.251689 82.29162 7.265087 -3.066093 
9.584628 
1 1 1 13  3   24 o 43.36788 6.811201  474.8630       115.4228 266.4645       
214.1249 560.2188       137.0365 35.50440 12.04066 51.23137 6.371202 -15.72697 
13.62240 
1 1 1 13  3   25 o 79.48555 4.559592  1301.451       136.8543 1478.022       
264.9616 1237.207       159.8236 82.68537 7.632651 76.28574 4.990207 6.399635 
9.119184 
1 1 1 13  3   26 o 51.52340 5.504059  516.6245       110.4205 755.0823       
209.9008 425.3839       129.8381 58.68591 8.519247 44.36089 6.971448 14.32502 
11.00812 
1 1 1 13  3   27 o 71.19618 5.008904  1199.589       131.9037 870.8227       
231.2939 1358.047       160.5750 62.63672 8.795411 79.75564 4.795542 -17.11892 
10.01781 
1 1 1 13  3   28 o 52.63844 5.931247  645.6441       112.5514 584.9016       
209.6286 670.2466       133.4116 49.60600 10.39890 55.67087 5.708035 -6.064873 
11.86249 
1 1 1 13  3   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  3   30 o 36.24142 8.686666  299.6859       127.6639 395.0477       
325.2877 282.3231       138.8002 38.48961 14.60335 33.99323 9.411415 4.496387 
17.37333 
1 1 1 13  3   31 o 28.30462 7.463812  191.9375       122.0373 -222.1796      
335.8486 254.9346       130.9913 24.56788 11.73006 32.04137 9.232539 -7.473486 
14.92762 
1 1 1 13  3   32 o 45.34161 8.227842  610.3571       131.6664 465.2781       
365.0669 632.0505       141.1675 37.93723 15.17075 52.74599 6.374796 -14.80876 
16.45568 
1 1 1 13  3   33 o 27.26031 7.752273  173.9662       122.5024 76.26186       
298.4257 193.7664       134.3430 26.98293 12.23174 27.53769 9.527614 
-0.5547638     15.50455 
1 1 1 13  3   34 o 29.96142 6.898401  262.7145       119.1921 15.83788       
214.4637 373.0493       143.3739 22.60412 10.28356 37.31872 9.197840 -14.71460 
13.79680 
1 1 1 13  3   35 o 21.78859 6.849301  61.57062       116.3199 123.2930       
211.7710 34.90353       139.1980 24.11191 10.65213 19.46526 8.613001 4.646652 
13.69860 
1 1 1 13  3   36 o 24.23672 7.229162  171.1065       125.2686 129.3910       
219.2978 191.3109       152.6190 23.43465 10.56145 25.03880 9.874150 -1.604145 
14.45832 
1 1 1 13  4   0  o 79.35462 3.872515  1325.813       128.7794 1300.088       
186.8361 1349.095       177.7468 78.61525 5.660765 80.09399 5.285948 -1.478745 
7.745031 
1 1 1 13  4   1  o 426.4967 18.81901  39055.26       3369.700 39055.26       
3369.700 0.000000       0.000000 426.4967 18.81901 ?        ?        ? ? 
1 1 1 13  4   2  o 135.4904 6.792359  3864.956       386.3742 3864.956       
386.3742 0.000000       0.000000 135.4904 6.792359 ?        ?        ? ? 
1 1 1 13  4   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  4   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  4   5  o 216.3553 7.142520  9841.565       599.8613 9761.712       
720.7300 10021.58       1082.137 215.2015 7.977161 217.5091 11.85020 -2.307602 
14.28504 
1 1 1 13  4   6  o 133.7553 5.216841  3716.282       285.2143 3550.093       
360.4331 3994.651       466.4821 129.8584 6.611132 137.6522 8.071843 -7.793854 
10.43368 
1 1 1 13  4   7  o 104.3339 5.237987  2291.143       229.2841 2358.456       
331.8171 2229.635       317.1905 105.7956 7.470547 102.8722 7.344179 2.923378 
10.47597 
1 1 1 13  4   8  o 283.7624 9.359972  17220.55       1035.371 16812.60       
1832.358 17411.89       1254.908 280.6180 15.55306 286.9067 10.41819 -6.288757 
18.71994 
1 1 1 13  4   9  o 269.0610 8.356262  15378.09       940.6185 15053.50       
1381.021 15658.97       1284.670 266.2801 12.35329 271.8419 11.25632 -5.561768 
16.71252 
1 1 1 13  4   10 o 109.0038 3.685457  2468.658       166.7032 2310.136       
217.0621 2696.605       260.2899 104.8028 4.933240 113.2048 5.476633 -8.402016 
7.370914 
1 1 1 13  4   11 o 106.4201 5.316809  2384.195       235.5396 2425.651       
358.4868 2352.703       312.4459 107.2007 7.965197 105.6394 7.044818 1.561295 
10.63362 
1 1 1 13  4   12 o 321.5001 11.06697  22289.91       1477.330 22827.87       
1964.629 21589.91       2241.082 326.5765 14.32903 316.4236 16.86980 10.15292 
22.13394 
1 1 1 13  4   13 o 307.3381 9.312371  20197.39       1196.651 20194.08       
1621.092 20201.35       1773.846 307.5671 12.55420 307.1090 13.75766 0.4581604 
18.62474 
1 1 1 13  4   14 o 48.13563 6.488438  498.7914       127.4349 362.6630       
173.6703 657.5848       187.5718 40.52050 10.20679 55.75075 8.013790 -15.23025 
12.97688 
1 1 1 13  4   15 o 162.9207 5.927846  5625.234       405.2834 5393.923       
567.6055 5865.822       578.8752 159.4871 8.476997 166.3543 8.288424 -6.867203 
11.85569 
1 1 1 13  4   16 f 119.7256 5.395625  3026.373       269.3549 3136.350       
408.4099 2941.711       358.3342 121.5859 8.000811 117.8653 7.241415 3.720642 
10.79125 
1 1 1 13  4   17 o 138.6652 5.309738  4104.273       298.2550 4173.914       
377.2452 3988.172       487.0932 140.4498 6.397697 136.8805 8.476009 3.569244 
10.61948 
1 1 1 13  4   18 o 244.4604 9.094266  13034.97       931.1894 12705.08       
1352.701 13332.10       1283.800 241.1657 13.36003 247.7550 12.34230 -6.589218 
18.18853 
1 1 1 13  4   19 o 26.32329 7.392587  66.89984       118.7413 148.7291       
198.6645 21.41944       148.1078 30.25991 11.43250 22.38667 9.375460 7.873240 
14.78517 
1 1 1 13  4   20 o 49.81310 6.954893  631.1847       140.6055 233.0064       
221.7017 899.1044       181.8581 34.57614 12.21231 65.05006 6.658954 -30.47392 
13.90979 
1 1 1 13  4   21 o 95.01961 4.716516  1834.184       178.7135 1668.529       
216.7756 2185.655       315.7577 88.75028 5.817839 101.2889 7.425283 -12.53865 
9.433031 
1 1 1 13  4   22 o 132.9305 4.878782  3778.731       265.2960 3855.153       
341.0157 3661.573       422.2333 134.8467 6.023589 131.0142 7.676356 3.832428 
9.757565 
1 1 1 13  4   23 o 76.06471 4.637233  1185.205       135.9148 1121.302       
160.7773 1345.236       254.4290 72.77975 5.261810 79.34968 7.637347 -6.569931 
9.274466 
1 1 1 13  4   24 f 141.8598 5.110759  4155.399       262.8168 4615.453       
539.6312 4012.343       300.9175 146.1678 8.793592 137.5518 5.210774 8.616013 
10.22152 
1 1 1 13  4   25 o 82.73657 4.575543  1455.475       140.4982 1486.292       
272.8141 1444.352       163.9051 82.95698 7.833122 82.51617 4.731234 0.4408112 
9.151086 
1 1 1 13  4   26 o 124.9902 4.598387  3380.740       218.8313 3301.273       
402.8834 3413.997       260.6291 123.3100 7.782199 126.6704 4.900818 -3.360497 
9.196774 
1 1 1 13  4   27 o 83.02188 4.657455  1545.917       146.3686 1350.330       
263.3129 1633.378       176.0790 78.51545 7.988001 87.52832 4.791594 -9.012871 
9.314910 
1 1 1 13  4   28 o 35.09175 7.105151  305.9795       109.4129 185.9196       
207.4113 352.2706       128.7900 30.92561 11.68221 39.25789 8.090648 -8.332283 
14.21030 
1 1 1 13  4   29 o 21.12911 6.448094  16.46845       100.3519 -116.4022      
198.9253 61.82573       116.2249 20.90307 9.653154 21.35515 8.551509 
-0.4520760     12.89619 
1 1 1 13  4   30 o 59.37414 5.978679  774.4153       149.0327 0.000000       
0.000000 774.4153       149.0327 ?        ?        59.37414 5.978679 ? ? 
1 1 1 13  4   31 o 26.99444 7.853986  131.7782       119.6606 -27.70587      
331.7525 155.6300       128.2969 27.73555 12.66755 26.25334 9.288359 1.482204 
15.70797 
1 1 1 13  4   32 o 52.49661 8.404975  753.0571       141.3571 728.9467       
358.2463 757.5031       153.8394 47.06776 15.57427 57.92547 6.325854 -10.85771 
16.80995 
1 1 1 13  4   33 o 22.64868 6.993797  52.03797       119.5391 -81.08642      
245.5040 93.40781       136.8585 22.52675 10.52536 22.77061 9.212471 
-0.2438564     13.98759 
1 1 1 13  4   34 o 43.32405 4.921563  555.7012       140.1542 -568.9650      
238.6278 1147.981       173.1700 15.76725 7.938753 70.88087 5.819220 -55.11362 
9.843125 
1 1 1 13  4   35 o 23.87992 6.664611  113.4803       119.0386 -174.0721      
212.5617 244.8692       143.6831 18.54807 8.965743 29.21178 9.863245 -10.66371 
13.32922 
1 1 1 13  4   36 o 21.02970 6.516368  70.23861       117.1940 -134.2518      
225.8909 145.5508       137.0865 18.86880 9.143534 23.19060 9.286982 -4.321798 
13.03274 
1 1 1 13  5   0  o 335.5001 9.141157  23830.02       1266.803 24217.20       
1983.768 23563.41       1646.158 337.4791 14.00119 333.5212 11.75626 3.957855 
18.28231 
1 1 1 13  5   1  o 137.5144 4.352214  3943.004       246.0626 3808.133       
314.9334 4154.360       394.2456 134.5535 5.575000 140.4753 6.684792 -5.921844 
8.704428 
1 1 1 13  5   2  o 277.1156 9.127270  16288.31       1053.497 16261.71       
1404.180 16322.57       1593.442 277.0399 12.07262 277.1913 13.69234 
-0.1514282     18.25454 
1 1 1 13  5   3  o 182.4921 5.788333  7019.569       442.3502 7003.208       
604.0637 7038.489       649.5672 182.2901 7.892974 182.6941 8.468777 
-0.4039612     11.57667 
1 1 1 13  5   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  5   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  5   6  o 87.87398 5.012393  1617.597       184.4073 1476.469       
250.9250 1783.331       271.9212 83.72673 7.138400 92.02122 7.038436 -8.294495 
10.02479 
1 1 1 13  5   7  o 137.3964 6.125162  3946.063       348.9476 3763.265       
454.4836 4208.572       544.6327 133.5989 8.102824 141.1939 9.187745 -7.594955 
12.25032 
1 1 1 13  5   8  o 290.6657 9.605243  17923.52       1166.341 17584.24       
1566.786 18345.23       1746.761 287.7498 12.96927 293.5815 14.17183 -5.831726 
19.21049 
1 1 1 13  5   9  o 97.02029 5.047609  1987.148       205.0300 2044.764       
282.1942 1922.727       298.3961 98.52835 6.821940 95.51224 7.441409 3.016113 
10.09522 
1 1 1 13  5   10 o 216.3236 6.654548  9911.019       602.5806 10201.68       
828.6132 9584.774       877.8742 219.7628 8.980879 212.8845 9.822212 6.878250 
13.30910 
1 1 1 13  5   11 o 95.64716 5.056033  1879.073       197.0549 2130.169       
328.0039 1737.264       246.4967 100.4812 7.775268 90.81316 6.465222 9.668015 
10.11207 
1 1 1 13  5   12 o 226.1704 7.778621  10832.54       724.3908 10983.92       
1145.195 10731.58       935.2759 227.2476 12.00331 225.0932 9.896883 2.154373 
15.55724 
1 1 1 13  5   13 o 101.2480 4.807236  2147.340       203.6406 2365.178       
303.1314 1968.169       274.9145 105.8944 6.818346 96.60159 6.778512 9.292816 
9.614471 
1 1 1 13  5   14 o 170.8947 6.351534  6149.995       418.8412 6284.929       
764.0600 6092.029       500.7897 171.9186 10.58585 169.8708 7.021948 2.047775 
12.70307 
1 1 1 13  5   15 o 99.77705 4.739665  2104.092       198.2643 1972.276       
279.9734 2236.692       280.8045 96.62186 6.901802 102.9322 6.497910 -6.310387 
9.479330 
1 1 1 13  5   16 o 59.27664 5.752651  744.2717       142.9360 761.3119       
209.0247 729.3048       195.8972 59.89983 8.311763 58.65345 7.955287 1.246380 
11.50530 
1 1 1 13  5   17 o 191.0050 6.874499  7777.800       550.0336 7603.478       
749.7146 7981.006       809.4446 188.7778 9.459456 193.2323 9.977656 -4.454498 
13.74900 
1 1 1 13  5   18 o 127.6992 5.186429  3404.172       261.0787 3632.981       
462.4288 3297.114       316.3143 130.5598 8.436386 124.8385 6.035194 5.721275 
10.37286 
1 1 1 13  5   19 o 133.1399 5.747650  3774.921       320.9764 3607.386       
442.7547 3960.507       465.9950 130.0369 8.109941 136.2429 8.146826 -6.206039 
11.49530 
1 1 1 13  5   20 o 155.4642 6.061697  5193.000       385.9117 5088.670       
613.9755 5261.135       496.1755 153.8190 9.507410 157.1095 7.522355 -3.290588 
12.12339 
1 1 1 13  5   21 o 201.6549 6.054939  8698.865       512.3984 8419.749       
712.4359 8997.963       737.4951 198.3096 8.557034 205.0002 8.568915 -6.690689 
12.10988 
1 1 1 13  5   22 o 44.79114 6.790679  459.2531       124.7691 548.4680       
163.8076 335.9720       192.5589 50.71035 7.694111 38.87193 11.19169 11.83842 
13.58136 
1 1 1 13  5   23 o 80.76603 4.231728  1098.215       120.9429 1981.559       
279.1432 894.0742       134.1921 96.49688 6.890248 65.03518 4.914728 31.46170 
8.463455 
1 1 1 13  5   24 o 60.03939 5.814058  853.1475       125.8208 615.9898       
218.2756 971.1613       153.9760 52.40268 10.28810 67.67611 5.419243 -15.27343 
11.62812 
1 1 1 13  5   25 o 40.10046 7.090089  388.4465       117.6496 244.3257       
220.0089 446.1633       139.2286 34.61653 12.17176 45.58440 7.275004 -10.96786 
14.18018 
1 1 1 13  5   26 o 89.63383 4.286451  1818.378       142.8825 1493.333       
260.1057 1958.851       170.9921 83.12543 7.453103 96.14225 4.236262 -13.01682 
8.572903 
1 1 1 13  5   27 o 59.95390 5.132802  646.7395       116.1042 1133.113       
237.1400 493.3922       133.1552 72.08633 7.835613 47.82147 6.632179 24.26486 
10.26560 
1 1 1 13  5   28 o 29.80825 7.410931  182.3359       106.4210 188.6285       
204.8127 180.0087       124.5551 31.10457 11.64011 28.51194 9.175814 2.592634 
14.82186 
1 1 1 13  5   29 o 97.90190 4.097076  2055.033       148.8419 2125.950       
289.4305 2029.535       173.5492 98.32188 7.011568 97.48193 4.240524 0.8399582 
8.194152 
1 1 1 13  5   30 o 37.98254 7.431803  360.4640       114.2042 315.4016       
230.4623 375.1316       131.4833 35.83088 12.47101 40.13419 8.087071 -4.303303 
14.86361 
1 1 1 13  5   31 o 56.81533 7.853262  650.6963       132.5052 1086.290       
365.4211 584.7510       142.1819 62.47510 14.24316 51.15556 6.620222 11.31954 
15.70652 
1 1 1 13  5   32 o 60.03369 7.475415  796.1956       136.8767 1111.076       
348.1116 738.6107       148.8674 62.64888 13.61584 57.41849 6.175455 5.230392 
14.95083 
1 1 1 13  5   33 o 30.10014 7.975286  186.9519       121.6394 373.1226       
244.5750 125.7666       140.2103 35.72638 12.80577 24.47390 9.509628 11.25248 
15.95057 
1 1 1 13  5   34 o 24.45204 7.394969  97.52741       121.4659 100.4404       
246.5554 96.59384       139.5797 26.12684 11.52426 22.77724 9.270050 3.349602 
14.78994 
1 1 1 13  5   35 o 26.49433 6.827526  176.5274       119.9890 -94.52654      
213.2782 302.0479       145.1363 20.15920 9.514100 32.82945 9.795016 -12.67025 
13.65505 
1 1 1 13  5   36 o 36.96507 5.743733  483.1128       124.3821 -118.4890      
236.0381 714.3906       146.3506 19.72882 9.518348 54.20132 6.431404 -34.47250 
11.48747 
1 1 1 13  6   0  o 129.0801 2.729036  3524.202       146.5367 3705.370       
197.5444 3302.547       218.5057 132.8031 3.543052 125.3570 4.151786 7.446068 
5.458072 
1 1 1 13  6   1  o 263.0276 7.643172  14658.75       840.5455 14343.17       
1238.776 14928.01       1144.264 260.2998 11.33548 265.7554 10.25569 -5.455597 
15.28634 
1 1 1 13  6   2  o 134.9781 4.754368  3828.214       267.4845 3775.038       
356.3428 3896.850       404.8419 133.9285 6.337474 136.0278 7.088898 -2.099365 
9.508736 
1 1 1 13  6   3  o 183.8587 5.482316  7137.871       416.8217 7209.139       
545.8250 7038.162       645.6097 185.0250 7.026580 182.6923 8.417263 2.332703 
10.96463 
1 1 1 13  6   4  o 109.1968 4.976994  2503.783       227.7855 2318.378       
313.4428 2711.286       331.5979 104.9213 7.115666 113.4722 6.960544 -8.550911 
9.953987 
1 1 1 13  6   5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  6   6  o 92.07439 7.574104  1786.302       292.7852 0.000000       
0.000000 1786.302       292.7852 ?        ?        92.07439 7.574104 ? ? 
1 1 1 13  6   7  o 111.9189 4.256735  2633.134       199.9035 2521.852       
278.0501 2752.194       287.6045 109.4724 6.049780 114.3654 5.989935 -4.893044 
8.513470 
1 1 1 13  6   8  o 407.8232 12.48613  35832.59       1953.747 36090.98       
2337.617 35233.87       3558.375 412.0544 13.51263 403.5920 21.00053 8.462402 
24.97225 
1 1 1 13  6   9  o 230.8365 8.045472  11291.22       778.2753 11313.43       
1069.369 11266.22       1134.841 231.1439 11.01961 230.5292 11.72547 0.6147766 
16.09094 
1 1 1 13  6   10 o 147.5252 5.780317  4583.894       354.7122 4533.879       
469.6052 4650.339       541.2715 146.6382 7.627931 148.4121 8.686940 -1.773880 
11.56063 
1 1 1 13  6   11 o 125.3932 5.191448  3191.823       246.6103 3602.409       
475.2005 3040.486       288.5011 130.5975 8.666888 120.1888 5.717479 10.40868 
10.38290 
1 1 1 13  6   12 o 126.5056 5.056963  3365.043       263.5411 3425.252       
416.5276 3324.849       340.3214 127.3929 7.787886 125.6183 6.452934 1.774574 
10.11393 
1 1 1 13  6   13 o 144.2525 6.003067  4320.892       344.4273 4642.657       
600.3224 4163.001       420.5259 148.0337 9.659283 140.4713 7.130603 7.562439 
12.00613 
1 1 1 13  6   14 o 48.93560 7.175875  528.3829       144.6949 412.0485       
210.6425 632.3208       199.1037 43.21677 11.43156 54.65442 8.677109 -11.43765 
14.35175 
1 1 1 13  6   15 o 271.3565 9.347926  15921.79       1037.637 16371.41       
1337.498 15242.07       1644.501 276.9265 11.50402 265.7864 14.73745 11.14011 
18.69585 
1 1 1 13  6   16 o 75.54317 5.264964  1210.951       166.5285 1127.325       
238.0614 1291.082       233.0329 72.95490 7.772409 78.13144 7.104155 -5.176537 
10.52993 
1 1 1 13  6   17 f 43.40825 7.043443  412.2860       120.8729 433.3911       
206.6144 401.3045       149.0378 44.11111 11.14586 42.70539 8.614532 1.405727 
14.08689 
1 1 1 13  6   18 f 49.78199 6.927724  524.6739       141.0873 780.7787       
216.9884 337.1004       185.7006 60.53780 8.537503 39.02618 10.91258 21.51162 
13.85545 
1 1 1 13  6   19 o 166.4173 6.435542  5928.128       449.5739 5802.509       
634.5756 6054.717       637.0186 164.6186 9.181749 168.2159 9.019994 -3.597229 
12.87108 
1 1 1 13  6   20 o 75.69916 4.916936  1223.895       152.6077 1245.265       
196.8068 1191.669       241.6792 76.64037 6.116508 74.75794 7.700219 1.882423 
9.833873 
1 1 1 13  6   21 o 108.7354 4.042305  2484.841       183.6578 2182.078       
248.6292 2848.444       272.4672 101.4814 5.835615 115.9893 5.595223 -14.50787 
8.084610 
1 1 1 13  6   22 o 133.1983 4.852257  3517.929       223.9658 3338.038       
250.5106 4234.373       499.9326 125.7209 4.746129 140.6756 8.464741 -14.95471 
9.704514 
1 1 1 13  6   23 o 53.05077 5.563441  589.4318       117.0015 636.3737       
205.3608 566.8714       142.3674 54.44683 8.983922 51.65469 6.564806 2.792141 
11.12688 
1 1 1 13  6   24 o 90.25588 4.271638  1685.785       143.1805 1825.676       
282.0462 1637.218       166.1867 92.48183 7.264152 88.02993 4.496627 4.451904 
8.543276 
1 1 1 13  6   25 f 39.15539 7.215891  267.2734       113.6024 577.2447       
224.1682 160.1574       131.7772 50.35420 10.91118 27.95658 9.445763 22.39762 
14.43178 
1 1 1 13  6   26 o 107.4168 4.464293  2461.554       180.0848 2489.386       
342.3919 2450.911       211.7377 107.3675 7.595767 107.4661 4.692970 
-0.9859467E-01 8.928585 
1 1 1 13  6   27 o 35.18716 7.291201  289.3097       111.4504 228.3638       
204.7528 314.9691       132.8561 33.15854 11.73373 37.21578 8.658292 -4.057243 
14.58240 
1 1 1 13  6   28 o 63.29551 5.029304  823.3073       120.0264 984.9763       
235.1275 766.3322       139.5829 66.83226 8.379889 59.75875 5.563547 7.073505 
10.05861 
1 1 1 13  6   29 o 76.29749 4.203558  1228.899       119.1819 1330.756       
233.8624 1193.164       138.5197 77.85323 7.154921 74.74173 4.414376 3.111504 
8.407117 
1 1 1 13  6   30 o 29.31771 7.319187  193.9836       108.0620 105.0303       
219.3714 222.4842       124.1725 27.86189 11.52238 30.77354 9.028658 -2.911655 
14.63837 
1 1 1 13  6   31 o 40.24412 7.653514  397.5686       120.3873 423.3419       
241.4850 389.0446       138.8754 39.98537 12.76721 40.50286 8.444137 
-0.5174904     15.30703 
1 1 1 13  6   32 o 95.37250 5.610151  2084.122       181.6320 2140.392       
393.9461 2068.931       204.6857 93.47232 10.03864 97.27267 5.012078 -3.800354 
11.22030 
1 1 1 13  6   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  6   34 o 30.13819 8.026279  205.6343       120.9970 359.1260       
250.6110 158.9795       138.1676 34.47860 12.88124 25.79778 9.579057 8.680824 
16.05256 
1 1 1 13  6   35 o 21.88676 6.765150  54.24841       114.7260 -7.319059      
208.3964 81.02196       137.4256 21.96378 10.03497 21.80973 9.075709 0.1540470 
13.53030 
1 1 1 13  6   36 f 40.86499 6.325751  588.2943       116.8948 163.3338       
231.5522 733.6392       135.4174 25.73031 11.26431 55.99967 5.759836 -30.26936 
12.65150 
1 1 1 13  6   37 o 22.85218 6.936647  131.2460       112.7560 67.67412       
244.0614 148.4970       127.1377 22.55336 10.52093 23.15099 9.043140 
-0.5976334     13.87329 
1 1 1 13  7   0  o 135.4380 2.886863  3750.046       152.1352 3587.155       
181.6539 4132.682       278.4130 130.6732 3.311154 140.2028 4.729922 -9.529602 
5.773726 
1 1 1 13  7   1  o 214.3890 3.627537  9642.259       322.8947 9818.870       
496.9254 9513.196       424.7956 216.0575 5.478263 212.7205 4.756546 3.337036 
7.255074 
1 1 1 13  7   2  o 219.9555 3.196357  10217.88       292.5012 9776.209       
438.9583 10570.62       392.2840 215.6378 4.848636 224.2733 4.166238 -8.635544 
6.392715 
1 1 1 13  7   3  o 204.7924 6.115567  8816.895       510.1877 8724.447       
645.9124 8970.251       831.9101 203.4871 7.560627 206.0978 9.614445 -2.610687 
12.23113 
1 1 1 13  7   4  o 152.1233 5.264395  4840.233       326.6356 5021.326       
533.3433 4731.544       413.1883 154.3231 8.231843 149.9236 6.564464 4.399506 
10.52879 
1 1 1 13  7   5  o 152.0582 5.171824  4865.142       326.3683 4834.922       
429.5627 4906.405       501.9559 151.5394 6.751839 152.5771 7.836053 -1.037689 
10.34365 
1 1 1 13  7   6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  7   7  f 87.22507 4.252403  1604.324       155.3427 1720.196       
218.5595 1486.028       220.8336 90.42342 5.757180 84.02671 6.259921 6.396706 
8.504806 
1 1 1 13  7   8  o 341.1001 11.37936  24791.43       1585.636 24559.13       
2018.233 25166.07       2563.001 339.6989 14.15136 342.5013 17.82410 -2.802399 
22.75873 
1 1 1 13  7   9  o 289.1378 9.313358  17817.13       1122.915 17311.00       
1674.740 18230.53       1513.549 285.1690 13.98834 293.1066 12.29963 -7.937653 
18.62672 
1 1 1 13  7   10 o 55.50600 6.255630  644.8651       145.0437 708.8486       
218.9592 594.8354       193.6163 57.93196 9.002558 53.08003 8.688243 4.851936 
12.51126 
1 1 1 13  7   11 o 206.9627 6.630714  9055.356       576.1217 8946.070       
811.4488 9166.443       818.1104 205.7007 9.396075 208.2247 9.358378 -2.524078 
13.26143 
1 1 1 13  7   12 o 295.8837 9.843319  18717.49       1220.598 19890.24       
1720.858 17530.10       1731.565 305.3990 13.42142 286.3684 14.40240 19.03058 
19.68664 
1 1 1 13  7   13 o 144.8815 5.299026  4359.846       309.4796 4679.418       
523.8184 4188.477       383.5855 148.7958 8.385154 140.9671 6.481351 7.828751 
10.59805 
1 1 1 13  7   14 o 136.8190 6.087718  3956.281       348.1613 3908.823       
469.6428 4014.185       518.7623 135.9568 8.227877 137.6813 8.974590 -1.724442 
12.17544 
1 1 1 13  7   15 o 86.46939 4.922910  1589.016       177.5087 1409.273       
254.9092 1758.233       247.3326 81.65542 7.435695 91.28337 6.453729 -9.627953 
9.845820 
1 1 1 13  7   16 o 85.10479 4.585969  1487.207       157.5278 1385.390       
194.5345 1681.133       268.4750 81.04823 5.717077 89.16135 7.172133 -8.113113 
9.171939 
1 1 1 13  7   17 o 193.1146 6.346409  7960.899       506.0728 7784.356       
785.4041 8086.233       661.7639 191.0314 9.792855 195.1978 8.075123 -4.166367 
12.69282 
1 1 1 13  7   18 o 59.32685 5.992224  753.9003       143.2503 957.5601       
212.0253 582.8589       194.3057 67.16772 7.518792 51.48598 9.332458 15.68174 
11.98445 
1 1 1 13  7   19 o 139.5216 4.958871  4116.407       277.4239 4078.869       
344.0083 4186.231       469.1693 138.8420 5.901592 140.2011 7.970748 -1.359146 
9.917743 
1 1 1 13  7   20 o 38.16169 7.335559  304.4756       121.6352 209.3518       
156.8701 447.8929       192.6177 31.62067 10.30592 44.70271 10.44173 -13.08204 
14.67112 
1 1 1 13  7   21 o 131.7226 4.359441  3661.832       240.0692 3874.815       
359.8297 3490.978       322.2832 135.1171 6.343193 128.3280 5.981873 6.789032 
8.718882 
1 1 1 13  7   22 o 128.2631 3.918723  3541.069       205.8848 3172.668       
318.6465 3805.088       269.7533 122.3052 6.205624 134.2210 4.787045 -11.91579 
7.837446 
1 1 1 13  7   23 o 143.2193 4.765491  4156.812       258.0632 4831.496       
501.4828 3913.791       300.9728 150.4124 7.941332 136.0262 5.270185 14.38626 
9.530981 
1 1 1 13  7   24 o 51.19010 6.470434  617.2318       111.8284 497.2175       
230.0266 654.3753       127.9687 46.80116 11.72133 55.57904 5.484207 -8.777882 
12.94087 
1 1 1 13  7   25 o 49.68318 6.100044  483.3786       109.3813 671.4337       
225.9378 425.8112       125.0071 54.69838 10.21801 44.66799 6.665908 10.03039 
12.20009 
1 1 1 13  7   26 o 71.21877 4.289969  1045.666       114.3131 1166.681       
223.8838 1002.992       132.9495 73.65405 7.240142 68.78348 4.603877 4.870575 
8.579938 
1 1 1 13  7   27 o 77.19952 4.039781  1247.790       126.2254 1372.071       
212.4975 1180.029       156.9073 79.94961 6.330798 74.44942 5.019990 5.500183 
8.079561 
1 1 1 13  7   28 o 103.6883 3.449024  2318.979       145.6191 2179.900       
232.4630 2408.800       186.8140 100.8822 5.488587 106.4945 4.178336 -5.612312 
6.898049 
1 1 1 13  7   29 o 31.21788 6.597424  142.0469       85.39304 415.0839       
185.4557 68.58403       96.19738 41.78460 10.56079 20.65117 7.910361 21.13344 
13.19485 
1 1 1 13  7   30 o 36.68011 7.423810  318.0182       110.0339 322.1621       
222.0000 316.6687       126.6907 36.50107 12.26008 36.85914 8.375093 
-0.3580742     14.84762 
1 1 1 13  7   31 o 51.65688 6.664228  568.0851       117.6278 761.5629       
260.2344 518.4056       131.8676 54.91496 11.64180 48.39880 6.489700 6.516159 
13.32846 
1 1 1 13  7   32 o 86.50822 4.979890  1649.155       146.5637 1768.268       
322.3917 1618.124       164.5510 86.60073 8.867135 86.41571 4.535540 0.1850204 
9.959780 
1 1 1 13  7   33 o 70.91529 5.142873  1113.016       119.5808 1236.250       
277.0524 1084.802       132.5647 71.24955 9.261917 70.58103 4.473639 0.6685181 
10.28575 
1 1 1 13  7   34 o 26.62918 9.492714  173.3498       134.2308 0.000000       
0.000000 173.3498       134.2308 ?        ?        26.62918 9.492714 ? ? 
1 1 1 13  7   35 o 45.09942 7.474922  541.5145       120.4196 598.9943       
264.4430 526.4771       135.2570 42.87640 13.30978 47.32244 6.807911 -4.446033 
14.94984 
1 1 1 13  7   36 o 41.18321 6.200979  601.0848       120.2059 87.19466       
237.5948 777.8731       139.3569 24.41917 10.99984 57.94725 5.728181 -33.52809 
12.40196 
1 1 1 13  7   37 o 17.51596 5.934121  -62.06519      107.8463 -170.8226      
239.3315 -34.35494      120.8066 18.87068 9.209542 16.16124 7.485953 2.709438 
11.86824 
1 1 1 13  8   0  o 179.0369 2.535191  6734.319       190.5475 6626.885       
268.1754 6843.862       270.7935 177.5944 3.596755 180.4794 3.573811 -2.885025 
5.070382 
1 1 1 13  8   1  o 154.0758 2.765520  4996.832       172.4776 5019.870       
217.1036 4957.411       283.9923 154.5800 3.345298 153.5717 4.404702 1.008347 
5.531041 
1 1 1 13  8   2  o 164.3937 2.719674  5645.512       179.1435 5789.434       
304.3362 5569.204       221.6032 165.9637 4.367788 162.8237 3.241750 3.140030 
5.439349 
1 1 1 13  8   3  o 90.37100 2.662972  1694.683       100.3150 1898.979       
153.4750 1542.301       132.5483 95.06516 3.845363 85.67684 3.684951 9.388313 
5.325944 
1 1 1 13  8   4  o 284.8522 9.320969  17203.74       1111.272 16917.49       
1508.007 17543.92       1643.929 282.3746 12.72034 287.3298 13.62772 -4.955200 
18.64194 
1 1 1 13  8   5  o 83.52487 4.798570  1451.295       165.8740 1140.214       
222.6752 1839.113       248.6270 73.57338 7.208954 93.47636 6.335304 -19.90298 
9.597140 
1 1 1 13  8   6  o 313.7633 10.05114  20805.79       1324.025 20805.79       
1324.025 0.000000       0.000000 313.7633 10.05114 ?        ?        ? ? 
1 1 1 13  8   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  8   8  o 320.6128 11.86614  21986.03       1594.852 22301.96       
2326.562 21705.96       2190.505 322.6366 17.17600 318.5889 16.37701 4.047668 
23.73229 
1 1 1 13  8   9  o 52.77479 6.545626  586.7710       140.9543 692.9196       
216.7542 508.9901       185.5440 57.28474 9.012589 48.26484 9.494951 9.019905 
13.09125 
1 1 1 13  8   10 o 231.0851 7.660473  11164.80       718.5299 11872.56       
1193.756 10762.71       899.7747 236.5161 12.02198 225.6542 9.497546 10.86186 
15.32095 
1 1 1 13  8   11 o 88.03554 5.144135  1624.065       189.5174 1763.671       
282.0703 1509.184       255.8763 91.45969 7.345963 84.61138 7.203148 6.848312 
10.28827 
1 1 1 13  8   12 o 106.5309 4.733875  2391.231       211.7023 2431.661       
301.9445 2352.139       296.9038 107.4164 6.695416 105.6455 6.694005 1.770920 
9.467751 
1 1 1 13  8   13 o 142.4371 4.973475  4257.068       294.5887 4125.986       
388.0388 4435.393       452.5947 139.9024 6.606497 144.9719 7.436127 -5.069504 
9.946949 
1 1 1 13  8   14 o 196.0041 7.545181  8163.640       620.8865 8133.169       
877.0928 8194.246       879.0428 195.6357 10.67870 196.3725 10.66228 
-0.7368622     15.09036 
1 1 1 13  8   15 o 103.1929 5.013422  2233.247       214.0543 2340.070       
335.6082 2159.990       277.9227 105.2118 7.597824 101.1740 6.542988 4.037781 
10.02684 
1 1 1 13  8   16 o 90.85100 4.970434  1745.219       189.3963 1843.948       
268.9800 1648.137       266.7280 93.41519 6.858412 88.28681 7.196044 5.128380 
9.940868 
1 1 1 13  8   17 o 180.1302 5.932064  6905.953       445.1449 6749.630       
668.1764 7030.703       596.8967 178.1557 8.933311 182.1046 7.807271 -3.948898 
11.86413 
1 1 1 13  8   18 o 68.92526 5.868733  1017.813       168.1207 859.7571       
238.9523 1172.749       236.5826 63.51273 8.961311 74.33780 7.580437 -10.82507 
11.73747 
1 1 1 13  8   19 o 200.5651 7.102971  8492.021       573.3993 8151.444       
709.6492 9132.565       973.2206 195.4374 8.648826 205.6929 11.26972 -10.25546 
14.20594 
1 1 1 13  8   20 o 127.2985 4.468742  3417.119       215.7609 3391.942       
254.9622 3480.636       404.9633 126.7480 4.791327 127.8490 7.544654 -1.101013 
8.937484 
1 1 1 13  8   21 o 92.23639 4.401820  1805.957       170.0482 1787.705       
248.5262 1822.025       233.1761 91.76213 6.451041 92.71065 5.990672 
-0.9485168     8.803640 
1 1 1 13  8   22 o 232.3929 5.496725  11574.14       533.0369 10948.83       
784.9692 12109.21       726.1213 226.2993 8.262099 238.4864 7.252149 -12.18701 
10.99345 
1 1 1 13  8   23 o 60.08360 5.746547  867.6654       123.5194 567.7736       
209.1952 1028.177       153.0461 50.44030 10.23515 69.72691 5.228087 -19.28661 
11.49309 
1 1 1 13  8   24 o 80.03474 4.670945  1416.782       139.7260 1237.076       
257.4572 1491.812       166.3569 76.04289 8.064316 84.02658 4.715690 -7.983688 
9.341890 
1 1 1 13  8   25 o 138.8126 4.922693  4161.485       266.0677 3983.599       
469.0786 4245.863       323.0659 136.1443 8.206674 141.4808 5.438945 -5.336487 
9.845386 
1 1 1 13  8   26 o 43.26966 6.978928  489.4628       121.5372 216.7552       
229.3403 595.9578       143.3165 33.74235 12.37004 52.79697 6.465590 -19.05462 
13.95786 
1 1 1 13  8   27 o 71.85370 5.322427  1122.563       139.8678 1104.678       
274.5743 1128.830       162.5366 70.93068 9.220339 72.77671 5.319612 -1.846031 
10.64485 
1 1 1 13  8   28 o 90.18944 3.741184  1635.638       124.4925 1958.400       
253.0211 1532.543       142.9993 95.37236 6.319100 85.00652 4.006845 10.36584 
7.482368 
1 1 1 13  8   29 o 32.75000 6.993628  226.9358       94.47672 296.9866       
186.0834 202.6077       109.6619 35.69901 11.18176 29.80100 8.403073 5.898005 
13.98726 
1 1 1 13  8   30 o 41.28881 7.382746  347.8042       111.8666 557.0531       
238.7135 288.9202       126.6322 47.40681 11.98149 35.17081 8.629228 12.23600 
14.76549 
1 1 1 13  8   31 o 48.94486 6.601458  489.5230       111.5914 719.9084       
248.2795 431.2001       124.9203 53.77321 11.35024 44.11651 6.744550 9.656700 
13.20292 
1 1 1 13  8   32 f 42.68466 6.910780  511.5236       106.4170 306.5320       
238.9279 562.2522       118.8572 34.77891 12.63805 50.59041 5.596007 -15.81150 
13.82156 
1 1 1 13  8   33 o 23.43588 7.107554  32.90551       101.5773 164.9232       
228.8621 0.5195440      113.3538 28.82444 11.82362 18.04732 7.891216 10.77711 
14.21511 
1 1 1 13  8   34 o 26.69073 7.323923  155.2108       102.6755 152.1918       
232.5452 155.9419       114.4340 27.86470 11.71226 25.51676 8.796722 2.347940 
14.64785 
1 1 1 13  8   35 o 21.67008 6.539197  45.18674       113.7003 -396.1984      
273.5448 137.3710       125.0110 19.05008 9.399940 24.29008 9.093159 -5.240000 
13.07839 
1 1 1 13  8   36 o 30.19682 6.253963  284.7305       113.4110 -171.8960      
245.7130 408.3424       127.8433 20.19146 9.734140 40.20219 7.854597 -20.01073 
12.50793 
1 1 1 13  8   37 o 17.41673 5.899979  -70.55293      108.2677 -244.6223      
244.7135 -28.18781      120.7260 18.38138 9.054115 16.45209 7.567167 1.929289 
11.79996 
1 1 1 13  9   0  o 184.3931 3.043710  7223.905       224.3891 7407.904       
279.6666 6891.403       375.9490 187.7658 3.547686 181.0205 4.946776 6.745346 
6.087419 
1 1 1 13  9   1  o 127.1921 2.849851  3414.690       149.3422 3479.369       
194.4051 3321.565       233.2712 128.6832 3.598379 125.7011 4.420212 2.982056 
5.699702 
1 1 1 13  9   2  o 122.5611 2.659959  3149.804       135.6521 3204.716       
206.8778 3108.386       179.6689 123.4886 3.990323 121.6337 3.518360 1.854958 
5.319918 
1 1 1 13  9   3  o 94.62059 2.799124  1883.992       110.8477 2069.767       
157.5926 1702.080       155.9451 99.24795 3.782120 89.99323 4.127462 9.254715 
5.598248 
1 1 1 13  9   4  o 267.8567 4.103009  15087.98       450.3865 15131.42       
720.3343 15060.10       577.1025 268.1064 6.399528 267.6070 5.136610 0.4993896 
8.206017 
1 1 1 13  9   5  o 95.25623 4.970048  1879.044       196.6118 1704.107       
256.0961 2130.163       306.8331 89.95853 6.780812 100.5539 7.268156 -10.59539 
9.940096 
1 1 1 13  9   6  o 82.83165 4.185245  1443.159       145.4378 1521.887       
207.8500 1367.635       203.5769 85.04739 5.821168 80.61590 6.014905 4.431496 
8.370489 
1 1 1 13  9   7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  9   8  o 167.2984 6.184552  5893.093       433.3098 5716.558       
588.9149 6101.474       639.8320 164.5962 8.522242 170.0006 8.964715 -5.404465 
12.36910 
1 1 1 13  9   9  o 297.9290 8.069169  18813.57       1009.246 18634.56       
1429.461 18991.49       1425.128 296.4978 11.48344 299.3601 11.33916 -2.862335 
16.13834 
1 1 1 13  9   10 o 165.6230 5.425523  5785.478       377.2012 5886.195       
532.4283 5683.988       534.4635 167.0784 7.590351 164.1675 7.754467 2.910904 
10.85105 
1 1 1 13  9   11 o 176.5989 5.579634  6624.249       405.9997 6825.196       
530.4213 6339.957       630.9037 179.9489 7.020903 173.2490 8.673879 6.699814 
11.15927 
1 1 1 13  9   12 o 38.01547 8.012766  311.2160       139.4939 241.9523       
204.3346 371.6702       190.8983 34.90359 11.76218 41.12735 10.88433 -6.223755 
16.02553 
1 1 1 13  9   13 o 272.0305 9.154683  15766.36       1041.400 16019.78       
1548.133 15556.91       1407.427 273.8459 13.46551 270.2150 12.40616 3.630981 
18.30937 
1 1 1 13  9   14 f 135.6375 5.403972  3878.252       304.3717 3940.795       
467.8403 3832.352       400.7896 136.5238 8.162260 134.7512 7.084431 1.772568 
10.80794 
1 1 1 13  9   15 o 152.3528 5.546693  4890.733       352.3017 5058.900       
534.4039 4761.468       468.5297 154.6030 8.233281 150.1028 7.434803 4.500198 
11.09339 
1 1 1 13  9   16 o 193.8068 7.092915  7994.663       577.0457 8186.376       
820.4323 7806.977       811.7682 196.1237 9.964000 191.4898 10.09735 4.633911 
14.18583 
1 1 1 13  9   17 o 91.38120 4.881927  1751.383       179.4080 1818.588       
303.0398 1715.117       222.6133 92.62366 7.792895 90.13873 5.882484 2.484924 
9.763853 
1 1 1 13  9   18 o 102.3980 4.488585  2195.327       189.9474 2097.597       
245.4048 2341.374       299.9966 99.64030 5.866366 105.1556 6.795242 -5.515320 
8.977169 
1 1 1 13  9   19 o 77.32120 4.440121  1293.930       129.0719 1331.578       
153.1087 1201.460       239.9550 79.46227 4.589445 75.18013 7.602349 4.282135 
8.880242 
1 1 1 13  9   20 o 38.00249 7.157317  299.0784       117.2727 199.6833       
150.2296 454.1330       187.6357 30.93047 10.08544 45.07450 10.15838 -14.14403 
14.31463 
1 1 1 13  9   21 o 67.08344 4.555744  974.0041       116.7490 909.1664       
211.5710 1002.392       139.9930 65.28360 7.719213 68.88329 4.840760 -3.599686 
9.111487 
1 1 1 13  9   22 o 111.6276 3.697343  2650.641       167.8581 2571.078       
271.4229 2699.918       213.6051 110.1562 5.868929 113.0991 4.498560 -2.942955 
7.394686 
1 1 1 13  9   23 o 121.2649 4.708779  3101.618       226.5449 3192.405       
392.8409 3056.381       277.2997 122.3557 7.647395 120.1742 5.496160 2.181541 
9.417559 
1 1 1 13  9   24 o 94.29596 4.503915  1742.632       156.5471 2200.711       
322.2327 1601.115       179.1036 101.5579 7.557481 87.03406 4.901580 14.52381 
9.007831 
1 1 1 13  9   25 o 79.44667 4.687462  1404.627       145.0344 1168.401       
245.0558 1531.981       179.9314 73.82932 7.906007 85.06402 5.038277 -11.23470 
9.374924 
1 1 1 13  9   26 o 98.76320 4.702456  2054.695       180.4992 2168.869       
327.2574 2004.777       216.3894 100.3764 7.765670 97.14999 5.305352 3.226402 
9.404913 
1 1 1 13  9   27 o 76.11607 4.239274  1240.047       118.7102 1236.259       
232.2609 1241.386       138.1127 75.69820 7.308219 76.53393 4.298339 
-0.8357239     8.478548 
1 1 1 13  9   28 o 37.80257 6.440193  361.0848       100.1349 190.5235       
188.5043 428.1342       118.1893 30.98961 11.22903 44.61552 6.309768 -13.62590 
12.88039 
1 1 1 13  9   29 o 31.78902 6.477788  251.3567       91.30850 108.0098       
184.9008 297.5876       105.0052 27.17646 10.82044 36.40158 7.124957 -9.225124 
12.95558 
1 1 1 13  9   30 o 59.71706 5.956479  811.4471       128.5014 792.8056       
243.2240 818.6652       151.3488 57.96272 10.36952 61.47139 5.864445 -3.508671 
11.91296 
1 1 1 13  9   31 o 45.35308 6.764654  417.5360       104.4312 640.7858       
238.4758 364.5664       116.1614 50.73262 11.46514 39.97355 7.182812 10.75908 
13.52931 
1 1 1 13  9   32 o 37.22029 7.563398  298.3829       104.3100 456.5268       
239.0402 261.1864       115.9300 41.37711 12.61625 33.06347 8.345675 8.313637 
15.12680 
1 1 1 13  9   33 o 38.47528 6.955547  425.5280       106.6100 210.7893       
251.8582 472.4034       117.6721 30.94298 12.50621 46.00758 6.092073 -15.06459 
13.91109 
1 1 1 13  9   34 o 71.47076 5.299477  1138.934       124.6925 1284.063       
287.6731 1105.359       138.3664 71.90222 9.529674 71.03930 4.639305 0.8629227 
10.59895 
1 1 1 13  9   35 o 22.11840 6.800665  51.16956       114.8710 -96.98769      
232.9128 98.79054       132.0478 21.53410 10.10414 22.70269 9.105087 -1.168591 
13.60133 
1 1 1 13  9   36 o 41.85466 8.187015  431.4784       118.5294 723.5878       
297.9806 376.5717       129.1898 45.35193 14.13873 38.35739 8.258648 6.994541 
16.37403 
1 1 1 13  9   37 o 20.57562 9.856055  -93.79510      242.0733 -93.79510      
242.0733 0.000000       0.000000 20.57562 9.856055 ?        ?        ? ? 
1 1 1 13  9   38 o 19.01043 6.358925  -13.77320      110.8558 -18.99217      
250.3647 -12.50050      123.6358 21.17375 10.11387 16.84710 7.710598 4.326651 
12.71785 
1 1 1 13  10  0  o 157.6691 2.884445  5242.364       187.1252 5312.595       
242.5565 5139.114       294.0995 158.9997 3.633605 156.3385 4.480736 2.661163 
5.768889 
1 1 1 13  10  1  o 62.27903 3.025053  813.9058       79.02460 852.9594       
114.6843 778.5992       109.0442 63.69878 4.288388 60.85928 4.267729 2.839493 
6.050106 
1 1 1 13  10  2  o 118.3207 2.540452  2944.526       125.8758 2898.429       
183.9233 2985.142       172.6422 117.4443 3.730147 119.1971 3.449867 -1.752785 
5.080903 
1 1 1 13  10  3  o 195.3451 3.413033  7952.231       246.4429 7874.028       
286.3868 8175.394       483.7816 193.5879 3.523675 197.1022 5.846271 -3.514297 
6.826065 
1 1 1 13  10  4  o 135.5705 3.093634  3869.192       172.9868 3894.743       
224.9687 3832.229       270.5778 136.1366 3.936119 135.0045 4.773809 1.132111 
6.187268 
1 1 1 13  10  5  o 263.0043 5.544472  14146.50       531.2260 13725.79       
609.8788 15469.30       1081.441 255.4148 5.687462 270.5939 9.519320 -15.17909 
11.08894 
1 1 1 13  10  6  o 201.5572 5.715791  8572.576       481.1689 8518.468       
716.6822 8616.982       649.2545 200.9290 8.495816 202.1855 7.648672 -1.256531 
11.43158 
1 1 1 13  10  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  10  8  o 265.8659 13.32384  15033.00       1487.205 0.000000       
0.000000 15033.00       1487.205 ?        ?        265.8659 13.32384 ? ? 
1 1 1 13  10  9  o 109.3192 4.729642  2510.462       214.7719 2563.186       
330.0894 2471.756       282.8254 110.2865 7.129029 108.3520 6.217314 1.934547 
9.459284 
1 1 1 13  10  10 o 164.3541 5.511458  5695.427       379.5303 5658.835       
519.6885 5737.249       555.5814 163.8126 7.556435 164.8956 8.025271 -1.083008 
11.02292 
1 1 1 13  10  11 o 148.4238 5.074987  4637.450       314.6693 4575.046       
423.0962 4714.693       470.7234 147.3378 6.839841 149.5099 7.499236 -2.172089 
10.14997 
1 1 1 13  10  12 o 234.6034 8.979047  11654.77       874.6602 12173.27       
1352.385 11281.92       1146.797 238.8458 13.48663 230.3610 11.85765 8.484863 
17.95809 
1 1 1 13  10  13 o 61.69546 6.283542  785.2558       153.4193 1140.519       
241.7302 545.6295       198.5285 73.48701 7.835042 49.90390 9.825665 23.58311 
12.56708 
1 1 1 13  10  14 o 34.30227 7.605253  240.7416       122.5012 186.5719       
164.3136 308.5262       183.8063 30.89283 10.54760 37.71171 10.95936 -6.818878 
15.21051 
1 1 1 13  10  15 o 162.5247 5.682272  5613.420       385.9849 6010.185       
534.9747 5182.619       557.4488 168.6153 7.557136 156.4341 8.487788 12.18121 
11.36454 
1 1 1 13  10  16 o 159.7769 5.891642  5397.723       393.7088 6089.495       
571.4166 4772.518       543.2289 169.5541 8.027227 149.9996 8.626087 19.55455 
11.78328 
1 1 1 13  10  17 o 91.94328 4.118440  1779.024       158.5332 1977.029       
230.5392 1601.394       218.3561 96.79525 5.672987 87.09132 5.971885 9.703926 
8.236879 
1 1 1 13  10  18 o 81.60036 4.148944  1361.547       139.2347 1194.869       
176.5068 1636.122       226.5432 75.22604 5.588745 87.97468 6.133585 -12.74863 
8.297888 
1 1 1 13  10  19 o 59.65295 5.211409  750.6172       129.5594 715.6223       
171.5233 797.1096       197.7021 58.07599 7.034734 61.22990 7.690750 -3.153912 
10.42282 
1 1 1 13  10  20 o 24.17085 6.328373  68.15253       81.49960 178.5990       
149.5843 21.52482       97.19232 29.76310 10.06375 18.57860 7.675556 11.18450 
12.65675 
1 1 1 13  10  21 o 98.82708 4.409472  2077.049       168.7807 2057.987       
303.4540 2085.587       203.0935 98.29684 7.353167 99.35732 4.868747 -1.060471 
8.818943 
1 1 1 13  10  22 o 124.9445 4.703290  3249.395       213.4932 3452.432       
432.9382 3184.158       245.4064 127.1073 8.112905 122.7816 4.760730 4.325745 
9.406581 
1 1 1 13  10  23 o 54.92243 6.209383  754.3735       119.0876 451.9481       
211.1929 895.3618       144.1989 44.77990 11.24099 65.06496 5.278807 -20.28506 
12.41877 
1 1 1 13  10  24 f 124.4559 4.843042  3282.050       235.4233 3329.761       
419.2003 3260.070       284.5311 124.8161 7.999671 124.0958 5.461270 0.7202377 
9.686084 
1 1 1 13  10  25 o 56.93074 6.439107  777.6484       129.5688 564.7836       
236.3906 869.0624       154.9118 49.86618 11.51539 63.99530 5.765773 -14.12912 
12.87821 
1 1 1 13  10  26 o 84.46991 4.481031  1576.688       145.2425 1380.911       
256.1834 1669.424       176.3178 80.16568 7.611734 88.77413 4.730758 -8.608452 
8.962063 
1 1 1 13  10  27 o 53.29118 4.674241  576.8936       100.1222 723.3930       
174.7693 505.3250       122.1542 57.95509 7.182812 48.62727 5.983420 9.327820 
9.348481 
1 1 1 13  10  28 o 51.50933 5.356658  548.6175       104.3673 641.1318       
202.4392 515.1263       121.8021 53.99210 8.930697 49.02657 5.917583 4.965534 
10.71332 
1 1 1 13  10  29 o 64.49008 4.684707  821.1927       112.3150 1079.448       
229.2974 739.6714       128.8279 70.19443 7.780679 58.78574 5.219862 11.40868 
9.369414 
1 1 1 13  10  30 o 18.47453 6.003655  -65.75517      89.38537 -51.12874      
186.0106 -70.14677      101.9248 21.86658 9.795833 15.08250 6.943857 6.784080 
12.00731 
1 1 1 13  10  31 o 50.91373 6.149728  548.5114       103.2609 688.4991       
235.7072 515.2636       114.8707 53.13268 10.94098 48.69477 5.618859 4.437908 
12.29946 
1 1 1 13  10  32 o 30.63232 7.078534  235.0193       101.3481 101.7430       
228.5097 267.6556       113.0781 27.64159 11.61395 33.62304 8.095601 -5.981447 
14.15707 
1 1 1 13  10  33 o 24.84548 7.098009  107.3559       99.13509 76.43569       
225.6484 114.7515       110.3557 26.28449 11.30913 23.40646 8.580814 2.878029 
14.19602 
1 1 1 13  10  34 o 31.83923 7.618125  179.2167       96.26373 464.8521       
239.7178 124.2994       105.1112 40.11596 12.71147 23.56250 8.400116 16.55346 
15.23625 
1 1 1 13  10  35 o 33.37175 7.953794  272.8103       116.7612 419.8247       
240.6199 227.5311       133.5368 37.14315 12.76058 29.60036 9.498363 7.542784 
15.90759 
1 1 1 13  10  36 o 42.37854 7.164630  518.4960       114.9374 433.6987       
243.2186 542.8780       130.4189 36.50732 12.80144 48.24976 6.438231 -11.74244 
14.32926 
1 1 1 13  10  37 f 29.15751 8.066528  150.7028       120.2725 560.1609       
275.3373 54.15076       133.7030 38.19057 13.59741 20.12445 8.682508 18.06613 
16.13306 
1 1 1 13  10  38 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  11  0  o 151.5334 2.346181  4799.325       148.4399 5058.161       
224.1475 4597.136       198.1073 155.1476 3.441200 147.9191 3.190048 7.228485 
4.692362 
1 1 1 13  11  1  o 90.20609 2.736508  1702.824       103.4089 1849.945       
152.0023 1576.066       141.0909 93.81776 3.859102 86.59440 3.880882 7.223366 
5.473017 
1 1 1 13  11  2  o 59.81620 3.204626  753.1235       80.38896 720.5739       
114.5244 784.7383       112.8680 58.53797 4.659951 61.09443 4.400383 -2.556461 
6.409252 
1 1 1 13  11  3  o 174.9809 3.494744  6434.746       255.2521 6395.709       
342.5520 6483.479       382.7449 174.4019 4.678390 175.5599 5.192842 -1.158051 
6.989488 
1 1 1 13  11  4  o 337.8218 4.646257  23814.54       614.4858 24644.71       
1095.980 23433.92       742.0989 341.8827 7.635658 333.7609 5.295993 8.121735 
9.292514 
1 1 1 13  11  5  o 151.0772 3.375377  4802.149       213.4595 4835.849       
291.4574 4763.160       313.5011 151.6597 4.577476 150.4948 4.961792 1.164825 
6.750753 
1 1 1 13  11  6  o 155.2967 5.440490  5092.780       351.0419 5139.900       
465.4321 5030.609       534.6254 156.1823 7.098156 154.4110 8.246932 1.771301 
10.88098 
1 1 1 13  11  7  o 285.5583 9.051441  17191.95       1023.820 17750.89       
1782.370 16916.71       1250.751 288.4285 14.71909 282.6882 10.53863 5.740265 
18.10288 
1 1 1 13  11  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  11  9  o 209.3121 7.492424  9284.553       656.8377 9356.335       
900.4050 9202.902       960.3031 210.2456 10.20075 208.3787 10.97681 1.866928 
14.98485 
1 1 1 13  11  10 o 205.7343 7.522582  8971.818       649.5136 8710.594       
920.1171 9231.272       916.9927 202.7169 10.81121 208.7517 10.46302 -6.034760 
15.04516 
1 1 1 13  11  11 o 71.33029 4.916833  1071.286       146.8504 1090.251       
216.5442 1055.137       199.8184 71.90434 7.173192 70.75624 6.726540 1.148102 
9.833667 
1 1 1 13  11  12 o 130.3983 5.218275  3585.574       282.5736 3602.461       
433.1061 3573.059       372.8647 130.6169 7.897981 130.1796 6.822278 0.4372711 
10.43655 
1 1 1 13  11  13 o 91.52370 4.358669  1723.031       163.3053 1951.209       
268.2774 1588.712       205.8331 96.19355 6.642923 86.85384 5.644783 9.339706 
8.717339 
1 1 1 13  11  14 o 131.7561 5.710346  3665.012       313.1483 3715.510       
476.5273 3626.631       415.4467 132.4933 8.566729 131.0189 7.552705 1.474396 
11.42069 
1 1 1 13  11  15 o 85.18787 5.221558  1545.647       182.4315 1476.012       
287.2032 1592.747       236.2039 83.49969 8.192670 86.87606 6.476018 -3.376373 
10.44312 
1 1 1 13  11  16 o 24.24992 6.937438  -18.60276      121.2118 -170.7486      
163.8042 165.5376       180.2061 18.06944 8.477579 30.43040 10.98375 -12.36096 
13.87488 
1 1 1 13  11  17 f 168.6575 5.789637  6007.537       393.4286 5933.300       
490.3577 6141.675       659.1409 167.4540 6.974907 169.8609 9.242848 -2.406891 
11.57927 
1 1 1 13  11  18 o 87.59032 4.067923  1630.127       146.8032 1673.392       
191.5658 1568.566       228.5076 89.06319 5.123194 86.11745 6.320196 2.945732 
8.135846 
1 1 1 13  11  19 o 92.40663 4.879437  1808.893       189.1833 1890.413       
272.9133 1733.484       262.4825 94.41045 6.885346 90.40282 6.915753 4.007629 
9.758874 
1 1 1 13  11  20 o 26.95684 7.047317  99.42558       99.09940 202.4388       
183.1807 56.80148       117.8314 32.06107 11.12226 21.85261 8.657596 10.20846 
14.09463 
1 1 1 13  11  21 o 167.2146 5.307543  5822.547       328.5296 6251.825       
648.7933 5674.521       380.9850 170.6935 9.053374 163.7357 5.542244 6.957840 
10.61509 
1 1 1 13  11  22 o 138.3884 4.828404  3905.792       253.6362 4463.107       
487.9396 3699.448       296.9001 144.5400 8.040799 132.2367 5.347851 12.30322 
9.656809 
1 1 1 13  11  23 o 26.30776 7.264687  86.09167       105.9758 135.8427       
202.1006 67.22387       124.4593 29.84787 11.45621 22.76764 8.936322 7.080229 
14.52937 
1 1 1 13  11  24 o 153.1137 5.189419  5063.217       318.4707 4758.862       
527.6266 5237.651       399.4395 149.0791 8.430067 157.1484 6.054276 -8.069275 
10.37884 
1 1 1 13  11  25 o 91.10670 4.535965  1824.077       160.6275 1601.104       
277.2140 1936.777       197.0844 86.52870 7.630905 95.68470 4.906037 -9.155998 
9.071930 
1 1 1 13  11  26 o 77.03815 3.919596  1207.556       117.2603 1402.462       
217.4641 1127.654       139.2363 81.08214 6.388273 72.99416 4.543447 8.087975 
7.839193 
1 1 1 13  11  27 o 61.61761 4.872052  871.0053       105.9263 709.0709       
207.9391 927.7529       123.0951 57.07341 8.678077 66.16180 4.431539 -9.088398 
9.744103 
1 1 1 13  11  28 f 38.70712 6.689652  339.2419       99.90429 343.2531       
189.3403 337.6942       117.6084 38.53086 11.09915 38.88338 7.470914 
-0.3525276     13.37930 
1 1 1 13  11  29 o 48.02584 5.139776  510.4391       96.44675 501.3353       
160.8647 515.5481       120.5079 47.07970 8.444833 48.97198 5.861229 -1.892281 
10.27955 
1 1 1 13  11  30 o 48.84988 6.344949  489.3022       104.7692 650.2637       
236.2493 449.8972       116.8921 52.13376 11.12193 45.56599 6.110341 6.567768 
12.68990 
1 1 1 13  11  31 o 27.07644 6.888468  101.1514       85.19941 282.7751       
190.6033 55.80006       95.24440 34.42078 11.36010 19.73209 7.794366 14.68869 
13.77694 
1 1 1 13  11  32 o 26.80573 7.235867  142.5253       101.2657 102.2393       
222.4695 153.0540       113.7312 27.53122 11.50769 26.08025 8.775195 1.450964 
14.47173 
1 1 1 13  11  33 o 41.73790 7.128997  360.5612       103.2968 604.1876       
237.8880 303.9515       114.6716 47.72144 11.90066 35.75436 7.852687 11.96709 
14.25799 
1 1 1 13  11  34 o 42.69840 7.220379  359.2134       116.0148 789.0347       
244.0473 233.7211       131.8677 54.90759 10.97478 30.48922 9.385611 24.41837 
14.44076 
1 1 1 13  11  35 o 22.14550 6.945367  31.85369       112.9147 23.84651       
233.7799 34.28999       128.9536 24.28476 10.92678 20.00624 8.576593 4.278521 
13.89073 
1 1 1 13  11  36 o 64.22952 5.745745  972.2900       132.3197 1095.794       
270.5941 933.4770       151.6932 64.36333 10.01385 64.09572 5.637130 0.2676163 
11.49149 
1 1 1 13  11  37 o 20.91405 6.529618  46.10441       110.5373 -170.2039      
245.3986 101.1639       123.8088 19.98336 9.655025 21.84474 8.793414 -1.861383 
13.05924 
1 1 1 13  11  38 o 31.92899 6.324489  346.9597       119.1084 -13.15228      
215.1931 506.0083       143.0127 20.55917 9.659939 43.29882 8.165918 -22.73965 
12.64898 
1 1 1 13  12  0  o 33.37693 5.598648  243.8578       76.63651 249.8733       
117.9399 239.4617       100.8228 33.72088 8.361342 33.03298 7.447643 0.6879005 
11.19730 
1 1 1 13  12  1  o 174.9182 2.332600  6421.582       170.5523 6350.688       
230.0897 6508.035       254.0866 173.8555 3.152316 175.9809 3.439041 -2.125381 
4.665201 
1 1 1 13  12  2  f 25.71296 5.163184  141.4483       58.49391 165.6428       
85.99837 120.6183       79.79523 27.54056 7.313146 23.88536 7.290527 3.655199 
10.32637 
1 1 1 13  12  3  o 102.8934 2.778623  2225.261       120.0191 2269.043       
170.2119 2181.968       169.2576 103.9009 3.902040 101.8859 3.956900 2.014969 
5.557246 
1 1 1 13  12  4  o 109.8927 2.706310  2512.594       122.7298 2672.469       
194.7214 2407.223       158.0828 112.7536 4.113432 107.0319 3.517973 5.721695 
5.412621 
1 1 1 13  12  5  o 215.5983 2.666779  9788.452       240.3087 9996.184       
326.8106 9543.916       354.5813 218.1066 3.569014 213.0899 3.963455 5.016708 
5.333558 
1 1 1 13  12  6  o 217.6796 7.035009  9999.554       608.8886 10109.45       
1047.027 9943.399       748.4640 218.3065 11.42385 217.0527 8.213470 1.253769 
14.07002 
1 1 1 13  12  7  o 250.8812 8.443069  13361.96       889.1536 13545.36       
1271.547 13186.47       1243.818 252.5529 11.99226 249.2095 11.88812 3.343353 
16.88614 
1 1 1 13  12  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  12  9  o 114.0252 4.858824  2731.025       230.8649 2813.181       
350.7173 2668.206       306.6804 115.5089 7.232074 112.5414 6.490747 2.967476 
9.717649 
1 1 1 13  12  10 o 135.4723 5.118686  3891.459       287.6091 4019.420       
382.0199 3724.031       436.9792 138.1107 6.588399 132.8339 7.835610 5.276718 
10.23737 
1 1 1 13  12  11 o 250.4723 7.423704  13301.06       774.3875 13330.16       
1171.962 13278.50       1031.697 250.5553 11.14118 250.3893 9.814258 0.1660004 
14.84741 
1 1 1 13  12  12 o 272.0071 8.453733  15595.38       879.1893 16131.46       
1633.291 15376.67       1043.229 274.4967 14.17254 269.5176 9.219633 4.979095 
16.90747 
1 1 1 13  12  13 o 222.8650 8.091640  10438.90       740.1259 11198.13       
1195.646 9967.245       942.3831 229.0724 12.43228 216.6576 10.36036 12.41481 
16.18328 
1 1 1 13  12  14 o 68.74667 5.106962  1001.307       146.0030 833.0060       
203.9805 1178.115       209.0725 62.77324 7.739898 74.72011 6.664700 -11.94687 
10.21392 
1 1 1 13  12  15 o 141.0294 4.587460  4197.904       271.6088 4151.723       
382.2734 4244.985       385.9791 140.2456 6.492409 141.8132 6.482883 -1.567596 
9.174920 
1 1 1 13  12  16 o 81.40368 4.451642  1377.394       149.6324 1286.890       
192.2946 1516.305       238.2344 78.09840 5.864702 84.70896 6.698786 -6.610565 
8.903283 
1 1 1 13  12  17 o 37.98988 6.546616  336.9679       114.8900 488.8500       
148.1620 107.9068       181.9529 48.03796 7.346378 27.94181 10.83805 20.09615 
13.09323 
1 1 1 13  12  18 o 290.5819 9.014256  18272.39       1007.872 18261.99       
1206.705 18296.37       1832.807 292.2344 9.835372 288.9294 15.10936 3.305023 
18.02851 
1 1 1 13  12  19 o 145.1979 4.678159  4471.645       270.6204 4458.033       
461.7292 4478.768       334.0014 144.8082 7.594783 145.5877 5.464427 
-0.7795410     9.356318 
1 1 1 13  12  20 f 139.0347 4.388171  4165.872       244.1219 3857.599       
404.4496 4342.550       306.1878 134.7027 7.151695 143.3667 5.086987 -8.663986 
8.776341 
1 1 1 13  12  21 o 60.27961 5.344802  803.7076       118.6904 711.9224       
224.5392 839.2980       139.8210 57.56605 9.290667 62.99318 5.286884 -5.427124 
10.68960 
1 1 1 13  12  22 o 31.14523 7.216864  197.8909       100.6455 196.2607       
196.2610 198.4727       117.2343 32.17040 11.47736 30.12005 8.752295 2.050348 
14.43373 
1 1 1 13  12  23 o 50.43349 6.306706  598.4117       117.6065 448.7763       
206.5268 670.2196       143.0689 44.64019 11.06192 56.22680 6.060704 -11.58661 
12.61341 
1 1 1 13  12  24 o 169.4405 5.054878  6227.635       333.9438 5793.710       
582.8756 6439.667       407.4433 164.4908 8.440248 174.3902 5.565013 -9.899338 
10.10976 
1 1 1 13  12  25 o 75.85533 4.275891  1265.797       120.4217 1125.412       
225.4943 1321.808       142.4328 72.58977 7.399141 79.12090 4.287853 -6.531128 
8.551782 
1 1 1 13  12  26 o 32.14643 6.840163  240.5803       101.0160 116.1750       
188.9445 290.3713       119.5336 28.24958 11.02640 36.04328 8.097523 -7.793697 
13.68033 
1 1 1 13  12  27 o 45.57753 5.882668  400.4026       102.5346 623.2604       
196.6999 317.2519       120.1499 53.50415 8.756644 37.65091 7.857755 15.85324 
11.76534 
1 1 1 13  12  28 o 38.69949 6.199283  408.4803       105.3544 81.11083       
192.4691 548.5336       125.8892 26.78896 10.89134 50.61002 5.924791 -23.82106 
12.39857 
1 1 1 13  12  29 o 34.18106 6.538677  292.0853       99.19064 139.2956       
179.4926 359.2589       119.0142 28.30296 10.81578 40.05917 7.350929 -11.75621 
13.07735 
1 1 1 13  12  30 o 35.49931 7.194412  304.3343       101.9422 229.6089       
227.8672 323.0325       113.9851 33.22301 12.30847 37.77560 7.452507 -4.552586 
14.38882 
1 1 1 13  12  31 o 38.79252 6.905069  397.2344       105.0773 224.2007       
230.6899 442.5321       118.0325 32.58025 12.31650 45.00480 6.246890 -12.42455 
13.81014 
1 1 1 13  12  32 o 30.88148 7.345520  192.9848       89.23264 281.3159       
228.1421 177.0312       96.95653 34.21239 12.35762 27.55057 7.944546 6.661825 
14.69104 
1 1 1 13  12  33 o 56.85095 6.124526  728.6057       121.4530 835.1844       
249.9958 695.6796       138.9529 57.62716 10.73323 56.07475 5.902300 1.552410 
12.24905 
1 1 1 13  12  34 o 21.43924 6.494867  18.31600       113.2729 -294.3573      
230.9406 117.3667       129.9822 18.86604 9.174337 24.01244 9.195910 -5.146406 
12.98973 
1 1 1 13  12  35 o 44.63323 7.141943  597.2535       125.7428 345.6834       
246.4664 685.7744       146.2013 34.45055 12.79341 54.81592 6.352806 -20.36537 
14.28389 
1 1 1 13  12  36 o 29.46111 7.433722  201.6390       111.4082 360.9437       
198.1871 128.0429       134.7064 34.95284 11.58389 23.96938 9.319564 10.98346 
14.86744 
1 1 1 13  12  37 o 30.31949 7.890163  261.3125       120.2136 309.8574       
252.9164 247.1444       136.6345 30.89361 12.51340 29.74537 9.614235 1.148235 
15.78033 
1 1 1 13  12  38 o 31.74450 8.091805  322.9989       124.2840 444.2680       
259.4863 286.8974       141.5801 32.83419 12.89834 30.65481 9.774558 2.179382 
16.18361 
1 1 1 13  13  0  o 224.8365 4.635900  10664.39       437.4940 10466.51       
621.4385 10858.83       616.0168 222.7538 6.644987 226.9193 6.466097 -4.165497 
9.271799 
1 1 1 13  13  1  o 128.4177 5.073223  3470.919       273.5191 3470.919       
273.5191 0.000000       0.000000 128.4177 5.073223 ?        ?        ? ? 
1 1 1 13  13  2  o 168.2868 3.961710  5922.150       277.7138 6277.300       
424.7368 5656.931       367.0429 172.6398 5.860033 163.9338 5.332972 8.705948 
7.923419 
1 1 1 13  13  3  o 138.9165 2.903614  4053.165       166.4850 4034.926       
216.2422 4079.711       260.8814 138.5528 3.717459 139.2803 4.461433 
-0.7275391     5.807228 
1 1 1 13  13  4  f 70.60406 2.832864  1047.454       83.93559 1004.813       
117.4511 1091.962       119.9955 69.13512 4.046498 72.07300 3.965643 -2.937881 
5.665728 
1 1 1 13  13  5  o 264.2553 3.120104  14691.58       344.5174 14764.37       
465.7543 14603.63       511.9591 265.0011 4.186299 263.5095 4.627646 1.491638 
6.240209 
1 1 1 13  13  6  o 220.2414 3.718429  10300.27       326.8959 10517.88       
406.2225 9900.392       550.6517 223.6582 4.326136 216.8245 6.049083 6.833694 
7.436858 
1 1 1 13  13  7  o 90.58264 4.001265  1735.604       151.1183 1644.629       
223.7827 1811.867       204.8918 88.37275 6.031555 92.79253 5.259356 -4.419785 
8.002530 
1 1 1 13  13  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  13  9  o 240.8493 7.597390  12274.60       752.2399 12453.18       
1195.082 12157.43       968.0787 242.0489 11.76023 239.6497 9.621767 2.399216 
15.19478 
1 1 1 13  13  10 o 256.3358 8.208069  14079.38       859.8077 13462.22       
1367.036 14483.31       1105.948 251.2540 12.95949 261.4176 10.07676 -10.16360 
16.41614 
1 1 1 13  13  11 f 133.2913 5.315247  3738.298       296.0417 3870.301       
443.7651 3632.441       397.3947 135.3754 7.807902 131.2072 7.214157 4.168243 
10.63049 
1 1 1 13  13  12 f 148.9691 5.656209  4689.279       353.6899 4565.793       
497.1932 4815.789       503.2478 146.9766 8.057457 150.9616 7.940289 -3.985016 
11.31242 
1 1 1 13  13  13 o 218.3957 7.787992  9866.972       688.2198 11202.53       
1166.320 9153.524       852.4470 229.1003 12.12588 207.6910 9.776216 21.40929 
15.57598 
1 1 1 13  13  14 o 25.74753 7.218529  73.89861       116.2107 52.48678       
157.9697 99.15426       171.5641 24.39022 9.885260 27.10485 10.52190 -2.714628 
14.43706 
1 1 1 13  13  15 o 109.8910 4.499495  2532.038       205.7087 2429.222       
270.8959 2672.075       316.1513 107.3065 6.013087 112.4755 6.695118 -5.168983 
8.998990 
1 1 1 13  13  16 o 92.00595 4.343723  1823.443       159.7312 1915.716       
200.5245 1663.245       264.2149 95.34480 5.009467 88.66709 7.097672 6.677711 
8.687446 
1 1 1 13  13  17 o 79.70103 4.665702  1366.271       151.3125 1447.578       
195.0665 1243.441       239.7577 82.81233 5.610594 76.58973 7.456295 6.222603 
9.331404 
1 1 1 13  13  18 o 84.07011 3.832998  1508.091       123.7533 1452.933       
224.3465 1532.216       148.3679 82.85149 6.449708 85.28873 4.143520 -2.437233 
7.665996 
1 1 1 13  13  19 f 269.4194 7.338117  15529.16       781.9361 15852.99       
1359.901 15369.22       955.7286 270.4389 11.97730 268.4000 8.481511 2.038940 
14.67623 
1 1 1 13  13  20 o 143.9739 4.173147  4366.944       240.0459 4463.962       
409.7273 4316.241       296.2042 144.9955 6.730717 142.9522 4.935390 2.043365 
8.346294 
1 1 1 13  13  21 f 236.0749 5.262330  11925.59       491.9819 11721.17       
846.0596 12030.02       604.7362 233.9431 8.614140 238.2067 6.046905 -4.263611 
10.52466 
1 1 1 13  13  22 o 134.0580 4.143884  3819.162       222.1091 3770.037       
375.2010 3845.664       275.5842 133.1993 6.709392 134.9167 4.865302 -1.717377 
8.287768 
1 1 1 13  13  23 o 113.4895 4.512893  2683.803       200.1497 2869.509       
360.5985 2601.117       240.6171 116.0626 7.400358 110.9164 5.167159 5.146172 
9.025786 
1 1 1 13  13  24 f 129.4194 3.728504  3605.702       194.6537 3304.685       
315.7538 3790.227       247.2181 124.8319 6.024821 134.0069 4.394145 -9.174988 
7.457009 
1 1 1 13  13  25 o 27.12340 7.147547  105.2318       97.89166 189.5780       
194.8029 76.73680       113.2262 31.73405 11.42334 22.51275 8.594013 9.221300 
14.29509 
1 1 1 13  13  26 o 55.34563 5.982460  808.6542       107.0129 435.3530       
203.9964 950.3838       125.6965 43.66727 11.09979 67.02399 4.466979 -23.35672 
11.96492 
1 1 1 13  13  27 o 154.5919 4.735808  5186.904       289.8947 4930.958       
493.7724 5321.530       358.1100 151.0714 7.785123 158.1124 5.394753 -7.040955 
9.471616 
1 1 1 13  13  28 o 24.82014 6.732466  54.30323       93.20049 203.7267       
176.6303 -3.352501      109.7178 31.32745 10.91642 18.31282 7.882651 13.01462 
13.46493 
1 1 1 13  13  29 o 86.24596 4.150827  1606.565       141.7022 1571.292       
243.3720 1624.656       174.2925 85.18633 6.804901 87.30559 4.755080 -2.119255 
8.301655 
1 1 1 13  13  30 o 61.71370 5.704184  886.6317       107.3897 793.3143       
248.0734 908.1520       119.1308 58.16256 10.54741 65.26483 4.347762 -7.102268 
11.40837 
1 1 1 13  13  31 o 74.93739 4.901118  1261.029       126.6524 1190.651       
266.1524 1281.631       144.0019 72.51603 8.742133 77.35876 4.433838 -4.842728 
9.802236 
1 1 1 13  13  32 o 39.85337 7.114141  272.3121       107.5193 692.6263       
235.7570 161.9329       120.8151 52.88926 10.98379 26.81749 9.044353 26.07177 
14.22828 
1 1 1 13  13  33 o 76.54115 5.241909  1287.189       143.3723 1422.072       
297.0786 1246.235       163.6976 77.54613 9.124987 75.53616 5.161886 2.009972 
10.48382 
1 1 1 13  13  34 o 25.99419 7.372889  99.08978       101.4478 236.6417       
227.9106 65.10225       113.2899 31.20836 12.12471 20.78002 8.392218 10.42834 
14.74578 
1 1 1 13  13  35 o 24.58880 7.202518  108.4590       114.3645 35.88208       
233.1441 131.4561       131.2387 24.69877 11.01823 24.47883 9.279207 0.2199402 
14.40504 
1 1 1 13  13  36 o 38.99969 7.563499  437.1934       120.9018 390.2724       
245.3818 452.2358       138.9365 35.30533 12.80974 42.69404 8.045917 -7.388714 
15.12700 
1 1 1 13  13  37 o 95.47928 4.981245  2170.653       176.2088 2225.884       
336.6406 2149.810       206.8016 93.34710 8.589872 97.61145 5.046313 -4.264351 
9.962489 
1 1 1 13  13  38 o 38.73170 6.553094  549.5175       127.9654 132.9063       
262.2142 679.7565       146.6092 24.79715 11.30522 52.66626 6.630554 -27.86910 
13.10619 
1 1 1 13  14  0  f 141.6965 3.850595  4228.497       229.0069 4363.969       
327.6144 4099.054       320.2407 143.9171 5.422152 139.4760 5.468876 4.441101 
7.701191 
1 1 1 13  14  1  o 197.1763 5.239305  8046.021       407.2997 7743.611       
492.7835 8698.035       723.5809 191.6467 6.124575 202.7060 8.502401 -11.05933 
10.47861 
1 1 1 13  14  2  o 104.1219 4.506743  2280.859       197.0080 0.000000       
0.000000 2280.859       197.0080 ?        ?        104.1219 4.506743 ? ? 
1 1 1 13  14  3  o 74.20271 3.648069  1131.970       112.3023 1385.952       
174.4866 952.3566       146.7335 81.14410 5.121841 67.26131 5.196188 13.88278 
7.296138 
1 1 1 13  14  4  o 119.7647 2.905020  3002.290       138.2271 2973.886       
169.5586 3058.567       238.6700 118.9562 3.395111 120.5733 4.714849 -1.617149 
5.810041 
1 1 1 13  14  5  o 29.88260 5.387037  200.5045       68.17629 153.9215       
105.5167 233.8880       89.32518 27.05795 8.409101 32.70725 6.735554 -5.649303 
10.77407 
1 1 1 13  14  6  o 121.7536 2.670874  3117.338       135.7269 3127.767       
182.5127 3104.433       203.0135 121.9907 3.563586 121.5165 3.979338 0.4742432 
5.341748 
1 1 1 13  14  7  o 179.9276 6.244015  6841.609       471.3495 7208.349       
676.0270 6494.658       657.5352 184.6328 8.721199 175.2224 8.938209 9.410431 
12.48803 
1 1 1 13  14  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  14  9  o 213.5280 7.435742  9688.368       661.7781 9569.813       
994.0097 9782.754       886.9114 212.2075 11.15709 214.8484 9.832617 -2.640961 
14.87148 
1 1 1 13  14  10 o 169.7446 6.139686  6085.420       434.0871 6173.825       
658.5471 6017.497       577.2407 170.7549 9.186175 168.7343 8.148444 2.020660 
12.27937 
1 1 1 13  14  11 o 109.2912 4.574803  2503.395       205.6300 2593.538       
327.9488 2444.996       263.9651 110.8569 7.046354 107.7255 5.836453 3.131355 
9.149606 
1 1 1 13  14  12 o 123.3196 4.224399  3171.150       214.6345 3378.547       
342.3852 3036.884       275.4848 126.5648 6.443518 120.0743 5.464729 6.490517 
8.448798 
1 1 1 13  14  13 o 130.3484 4.538225  3563.278       244.5827 3466.231       
317.3611 3705.229       383.8237 128.2270 5.895155 132.4697 6.901384 -4.242706 
9.076450 
1 1 1 13  14  14 o 89.37222 3.867775  1613.014       138.0846 1470.993       
167.8486 1910.402       242.8867 83.58244 4.783257 95.16201 6.079407 -11.57957 
7.735550 
1 1 1 13  14  15 o 32.00356 7.209941  199.4793       108.2085 145.0493       
137.8101 286.9934       174.7434 27.63301 9.641182 36.37410 10.72290 -8.741089 
14.41988 
1 1 1 13  14  16 o 97.18396 4.566120  1994.527       185.7674 2018.604       
274.0088 1974.047       252.7113 97.70296 6.680020 96.66495 6.226969 1.038017 
9.132240 
1 1 1 13  14  17 o 158.3330 5.200005  5225.076       300.6962 5499.628       
603.8301 5134.540       346.7486 160.6739 8.951391 155.9921 5.294602 4.681839 
10.40001 
1 1 1 13  14  18 o 100.6010 3.967470  2148.482       154.3032 2112.493       
277.9400 2164.516       185.5188 99.85887 6.629571 101.3432 4.360282 -1.484283 
7.934940 
1 1 1 13  14  19 o 181.3416 5.299058  6983.792       365.6411 7019.388       
680.0324 6969.316       433.6619 181.1648 8.940808 181.5183 5.690520 
-0.3534546     10.59812 
1 1 1 13  14  20 o 274.9736 6.504581  16292.88       732.8423 15871.49       
1162.103 16571.09       944.2702 271.3293 10.20162 278.6180 8.072503 -7.288696 
13.00916 
1 1 1 13  14  21 o 150.6939 4.407022  4831.283       268.5960 4766.249       
442.1104 4869.330       338.1562 149.6698 7.035867 151.7181 5.308857 -2.048279 
8.814045 
1 1 1 13  14  22 o 188.3321 6.177811  7653.780       469.9237 7391.662       
770.7568 7808.864       592.8597 185.1985 9.912904 191.4656 7.375345 -6.267014 
12.35562 
1 1 1 13  14  23 o 100.2620 3.587452  2177.564       136.7040 1998.149       
248.8815 2255.081       163.5915 97.07536 6.106674 103.4486 3.766669 -6.373199 
7.174905 
1 1 1 13  14  24 o 53.30159 5.626551  680.2321       107.6469 464.4442       
186.1248 788.6927       131.9554 45.53758 10.00705 61.06561 5.146968 -15.52803 
11.25310 
1 1 1 13  14  25 o 91.47514 3.276270  1797.798       120.8196 1658.771       
196.6944 1882.038       153.1085 88.49162 5.294328 94.45866 3.860812 -5.967041 
6.552540 
1 1 1 13  14  26 o 41.62989 6.068717  288.6802       99.87262 686.2891       
196.4368 150.0726       115.9815 56.41338 8.293958 26.84640 8.861580 29.56698 
12.13743 
1 1 1 13  14  27 o 125.3370 4.114326  3374.103       202.2314 3287.586       
353.5553 3416.174       246.5460 123.7625 6.804393 126.9115 4.627199 -3.148987 
8.228653 
1 1 1 13  14  28 o 32.97321 6.726943  250.1701       95.53819 209.8809       
170.4428 268.6281       115.3655 31.47443 10.74252 34.47200 8.099710 -2.997562 
13.45389 
1 1 1 13  14  29 o 27.82567 6.533200  167.6857       97.18768 14.60452       
170.1905 241.7619       118.3896 23.10971 9.878179 32.54163 8.552918 -9.431925 
13.06640 
1 1 1 13  14  30 o 98.86219 4.539634  2109.152       160.9681 2144.732       
327.7332 2097.840       184.7932 98.55939 7.920334 99.16499 4.438628 
-0.6056061     9.079268 
1 1 1 13  14  31 o 29.06188 7.335637  155.3642       88.28011 233.2009       
227.1941 141.5221       95.80870 32.91828 12.27134 25.20549 8.041171 7.712788 
14.67127 
1 1 1 13  14  32 o 20.56189 6.101089  4.538948       100.2917 -266.5210      
189.4079 110.1454       118.2253 17.33868 8.395329 23.78510 8.855032 -6.446421 
12.20218 
1 1 1 13  14  33 o 29.30681 7.515564  106.0078       106.1879 406.3239       
231.6725 26.13457       119.4774 38.97750 12.51116 19.63611 8.331007 19.34139 
15.03113 
1 1 1 13  14  34 o 40.03481 6.791417  487.2178       119.7110 146.8454       
243.2129 596.0438       137.5232 28.60783 11.99907 51.46180 6.365199 -22.85396 
13.58283 
1 1 1 13  14  35 o 45.75407 7.466157  536.3959       129.0816 585.0102       
253.6177 519.4001       149.9573 44.52467 12.85221 46.98348 7.602274 -2.458809 
14.93231 
1 1 1 13  14  36 o 21.30569 6.445197  21.61796       116.8135 -366.5265      
242.0383 139.4799       133.3749 18.01680 8.878557 24.59457 9.345237 -6.577770 
12.89039 
1 1 1 13  14  37 o 24.15168 7.440961  74.57943       119.6886 216.9752       
253.2800 33.63910       135.8089 28.46997 12.10620 19.83339 8.655141 8.636583 
14.88192 
1 1 1 13  14  38 o 38.84933 7.962939  464.6574       125.8218 568.1529       
258.0564 432.3804       144.1123 38.19134 13.20571 39.50733 8.901847 -1.315987 
15.92588 
1 1 1 13  14  39 o 53.63085 7.622242  895.4663       144.2123 912.2763       
289.2148 889.9037       166.3708 47.55361 13.72392 59.70810 6.636895 -12.15449 
15.24448 
1 1 1 13  15  0  o 136.1366 3.264103  3922.436       182.8105 3799.934       
286.4700 4006.594       237.4429 134.2894 5.081108 137.9838 4.098757 -3.694397 
6.528206 
1 1 1 13  15  1  o 173.2659 4.599759  6309.064       329.1567 6181.488       
426.6413 6496.663       517.3622 171.1944 5.936009 175.3374 7.028153 -4.143051 
9.199518 
1 1 1 13  15  2  o 98.14528 3.154031  2015.710       127.9713 2090.976       
200.8332 1964.260       166.0463 99.65962 4.799957 96.63093 4.092927 3.028694 
6.308061 
1 1 1 13  15  3  o 119.9716 3.332647  3036.544       167.4475 3178.863       
232.5992 2883.440       241.2507 122.9100 4.507567 117.0332 4.909989 5.876770 
6.665295 
1 1 1 13  15  4  o 86.66267 4.466545  1580.155       162.5110 1580.155       
162.5110 0.000000       0.000000 86.66267 4.466545 ?        ?        ? ? 
1 1 1 13  15  5  o 55.56564 4.397417  651.2394       102.4513 610.4359       
144.3590 692.6467       145.4230 53.80447 6.390670 57.32680 6.042221 -3.522324 
8.794833 
1 1 1 13  15  6  o 76.99474 2.759740  1247.993       88.91379 1266.249       
121.4148 1226.881       130.5699 77.60828 3.726358 76.38119 4.071720 1.227097 
5.519479 
1 1 1 13  15  7  o 174.0391 5.945639  6380.156       429.7176 6584.281       
662.5712 6231.958       564.5539 176.3443 8.949367 171.7339 7.830156 4.610352 
11.89128 
1 1 1 13  15  8  o 158.0903 7.043290  5274.598       467.4766 5274.598       
467.4766 0.000000       0.000000 158.0903 7.043290 ?        ?        ? ? 
1 1 1 13  15  9  o 91.18493 6.287907  1753.009       240.7177 0.000000       
0.000000 1753.009       240.7177 ?        ?        91.18493 6.287907 ? ? 
1 1 1 13  15  10 o 78.87058 4.770737  1301.042       156.8786 1407.626       
239.4196 1220.850       207.6717 81.66190 6.983309 76.07927 6.501778 5.582626 
9.541473 
1 1 1 13  15  11 o 165.8463 5.594682  5805.591       388.0445 5696.327       
524.0445 5938.229       577.3799 164.1687 7.603241 167.5239 8.209299 -3.355133 
11.18936 
1 1 1 13  15  12 o 184.0591 6.023346  7156.015       443.8089 7109.079       
549.5481 7244.031       752.5425 183.4417 7.135570 184.6766 9.706001 -1.234848 
12.04669 
1 1 1 13  15  13 o 97.00349 3.736056  1977.353       147.0947 1962.003       
185.3175 2003.493       241.8321 96.54166 4.572174 97.46533 5.909965 
-0.9236755     7.472112 
1 1 1 13  15  14 o 167.9810 5.183253  5808.378       310.0280 5670.401       
352.6425 6278.007       650.5914 164.0414 5.120379 171.9206 9.013665 -7.879211 
10.36651 
1 1 1 13  15  15 o 39.08286 6.002820  256.2124       95.28361 580.6474       
181.5538 132.8797       111.9388 52.30862 8.267101 25.85711 8.705771 26.45152 
12.00564 
1 1 1 13  15  16 o 72.94176 3.908980  1115.501       110.8783 1142.667       
199.6933 1103.393       133.3171 73.50668 6.470798 72.37685 4.387402 1.129829 
7.817961 
1 1 1 13  15  17 o 101.5930 3.465745  2205.871       139.8040 2085.217       
236.9386 2270.312       173.1594 99.35117 5.680466 103.8349 3.972134 -4.483719 
6.931489 
1 1 1 13  15  18 o 142.2728 4.400743  4287.557       252.3136 4277.429       
420.0748 4293.272       315.5815 141.9710 7.047709 142.5745 5.272185 
-0.6034698     8.801485 
1 1 1 13  15  19 o 89.35538 4.534478  1665.998       153.8064 1756.505       
290.6955 1630.810       181.2556 90.82959 7.623106 87.88116 4.912659 2.948433 
9.068956 
1 1 1 13  15  20 o 137.5717 3.678981  3953.737       197.8029 4132.435       
354.6077 3873.021       238.3252 139.6282 6.049174 135.5153 4.188927 4.112900 
7.357963 
1 1 1 13  15  21 o 143.8098 4.808787  4397.761       270.5342 4393.261       
478.4853 4399.875       327.9923 143.4254 7.946273 144.1942 5.417976 
-0.7687225     9.617574 
1 1 1 13  15  22 o 197.0099 4.622449  8233.128       364.9056 8269.538       
616.1229 8213.456       452.8792 197.0099 7.449043 197.0101 5.475390 
-0.1983643E-03 9.244898 
1 1 1 13  15  23 o 137.5980 4.359319  3950.098       225.2952 4163.046       
433.2147 3871.154       263.7705 139.7932 7.381388 135.4028 4.640018 4.390442 
8.718638 
1 1 1 13  15  24 o 62.07356 3.973492  821.4011       94.95432 803.0573       
171.9883 829.4440       113.8842 61.45749 6.665693 62.68964 4.327018 -1.232159 
7.946983 
1 1 1 13  15  25 o 106.8976 4.344119  2447.143       176.4323 2384.966       
326.3884 2472.811       209.7124 105.6428 7.358948 108.1523 4.618589 -2.509460 
8.688238 
1 1 1 13  15  26 o 104.4072 4.266326  2360.634       166.6910 2234.935       
313.5148 2410.171       196.8150 102.0797 7.315425 106.7346 4.392121 -4.654816 
8.532653 
1 1 1 13  15  27 o 29.16739 6.302519  183.1314       81.23152 198.7330       
138.9361 175.0282       100.1285 30.25802 9.686384 28.07676 8.066036 2.181259 
12.60504 
1 1 1 13  15  28 o 18.35645 5.775530  -51.85521      93.02534 -227.7475      
167.1048 27.13272       111.9814 16.91181 8.122187 19.80110 8.213225 -2.889292 
11.55106 
1 1 1 13  15  29 o 108.6790 4.629812  2402.729       165.5169 2802.861       
392.1343 2315.987       182.5784 112.9386 8.270155 104.4193 4.164754 8.519226 
9.259624 
1 1 1 13  15  30 o 52.77242 5.838347  491.2712       106.5553 873.4738       
254.0354 409.6701       117.3803 62.10808 9.742427 43.43676 6.436636 18.67132 
11.67669 
1 1 1 13  15  31 o 23.60314 7.117621  47.20112       107.0001 2.504322       
234.6070 58.94047       120.2333 25.72600 11.29982 21.48028 8.657723 4.245716 
14.23524 
1 1 1 13  15  32 o 49.37608 6.540990  566.2864       110.5697 588.2168       
233.9471 559.9786       125.4674 48.18888 11.67071 50.56327 5.910400 -2.374382 
13.08198 
1 1 1 13  15  33 o 32.90271 7.469109  274.9642       112.0007 206.1526       
228.3698 296.7571       128.5182 30.80728 12.10087 34.99815 8.758952 -4.190868 
14.93822 
1 1 1 13  15  34 o 64.71297 5.415079  919.4949       128.9407 1082.720       
259.4422 865.9531       148.5911 66.94781 9.230503 62.47814 5.664814 4.469669 
10.83016 
1 1 1 13  15  35 f 62.38168 5.348825  787.2672       115.5536 1167.670       
265.6552 698.4980       128.3299 68.78529 9.199067 55.97807 5.460481 12.80722 
10.69765 
1 1 1 13  15  36 o 18.57310 6.202462  -62.03263      100.8333 -120.7237      
237.6508 -49.14718      111.3533 21.26152 10.03689 15.88469 7.289928 5.376832 
12.40492 
1 1 1 13  15  37 o 28.35678 7.310534  223.9190       107.2972 138.1683       
252.1666 242.8765       118.5659 26.48061 11.67080 30.23297 8.807269 -3.752359 
14.62107 
1 1 1 13  15  38 o 22.01330 7.058733  51.73981       120.5319 122.3600       
254.2917 31.27629       136.8857 24.77390 11.25120 19.25270 8.527217 5.521200 
14.11747 
1 1 1 13  15  39 o 27.27660 7.861389  221.1309       122.7677 393.2334       
261.5953 172.5195       139.0289 30.28882 12.55769 24.26439 9.460986 6.024427 
15.72278 
1 1 1 13  16  0  o 40.08369 4.465927  324.3772       69.89247 526.7460       
113.5235 200.8472       88.69517 49.96651 5.411626 30.20088 7.105793 19.76562 
8.931853 
1 1 1 13  16  1  o 85.61444 2.842190  1541.482       102.0308 1521.323       
140.4082 1564.038       148.5198 85.02641 3.933324 86.20248 4.103796 -1.176071 
5.684380 
1 1 1 13  16  2  o 166.4207 3.530369  5798.643       244.7264 5560.987       
323.5995 6116.172       374.0463 162.4919 4.743481 170.3495 5.230048 -7.857529 
7.060738 
1 1 1 13  16  3  o 38.32721 5.271977  306.1748       82.39603 437.8386       
127.9111 212.7914       107.7234 45.52900 6.691772 31.12542 8.148323 14.40357 
10.54395 
1 1 1 13  16  4  o 89.11152 3.428382  1665.248       127.5572 1610.535       
170.4739 1734.849       192.2733 87.46674 4.642330 90.75629 5.046185 -3.289551 
6.856764 
1 1 1 13  16  5  o 87.45389 4.863110  1610.324       178.5550 0.000000       
0.000000 1610.324       178.5550 ?        ?        87.45389 4.863110 ? ? 
1 1 1 13  16  6  o 81.14986 5.111890  1386.859       174.1599 1386.859       
174.1599 0.000000       0.000000 81.14986 5.111890 ?        ?        ? ? 
1 1 1 13  16  7  o 97.69508 4.562882  1987.580       181.8190 1908.386       
229.1820 2122.070       298.6611 95.15549 5.736773 100.2347 7.097113 -5.079185 
9.125765 
1 1 1 13  16  8  o 157.7747 5.342637  5184.805       340.5563 5542.610       
572.8801 4989.258       423.5128 161.7873 8.434133 153.7620 6.560525 8.025284 
10.68527 
1 1 1 13  16  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  16  10 o 67.83961 4.814861  970.8871       137.0217 917.1537       
190.8488 1028.051       196.8462 65.89901 6.898134 69.78022 6.719172 -3.881210 
9.629722 
1 1 1 13  16  11 o 86.64335 3.948170  1534.059       136.4853 1436.233       
166.3135 1735.823       238.8484 82.58938 4.796500 90.69732 6.272621 -8.107941 
7.896340 
1 1 1 13  16  12 o 174.1292 5.649753  6301.636       387.5177 6085.280       
468.8213 6768.292       688.5274 169.7478 6.578460 178.5107 9.187095 -8.762863 
11.29951 
1 1 1 13  16  13 o 70.89371 4.540615  1049.269       133.9616 974.7813       
175.9501 1151.994       206.6265 67.95174 6.167511 73.83568 6.665625 -5.883934 
9.081230 
1 1 1 13  16  14 o 105.6080 3.818930  2414.472       159.9178 2151.655       
267.1266 2561.278       199.6468 100.9208 6.304603 110.2952 4.311482 -9.374489 
7.637859 
1 1 1 13  16  15 o 119.3333 3.873647  3071.353       187.0895 2730.017       
298.2495 3292.809       240.2327 113.6515 6.250655 125.0151 4.577104 -11.36354 
7.747294 
1 1 1 13  16  16 o 71.83012 4.052444  1170.659       106.2610 920.1735       
197.0755 1273.330       126.1730 65.88795 7.124392 77.77229 3.864228 -11.88434 
8.104889 
1 1 1 13  16  17 o 118.8525 4.206625  2983.344       202.0930 3003.195       
334.9074 2971.976       253.4346 119.0439 6.700985 118.6611 5.087197 0.3827972 
8.413250 
1 1 1 13  16  18 o 42.47172 6.047605  364.2004       97.45689 499.9832       
180.5325 308.3575       115.7756 47.53414 9.380249 37.40930 7.635773 10.12484 
12.09521 
1 1 1 13  16  19 o 50.87502 5.177402  513.6970       102.6620 652.2513       
191.9822 458.2099       121.4918 55.25960 8.275118 46.49044 6.224498 8.769161 
10.35480 
1 1 1 13  16  20 o 28.03374 6.079977  161.0551       99.92734 -172.0108      
187.4050 293.3726       118.1203 19.69024 9.198457 36.37724 7.953167 -16.68701 
12.15995 
1 1 1 13  16  21 o 71.61533 3.987892  1030.664       108.8948 1219.306       
209.4483 960.7824       127.4787 75.76455 6.584640 67.46609 4.500627 8.298454 
7.975783 
1 1 1 13  16  22 f 59.03602 3.749562  735.7761       87.21744 741.1657       
152.5874 733.1606       106.2928 59.11996 6.147602 58.95208 4.294631 0.1678848 
7.499124 
1 1 1 13  16  23 o 68.20679 4.407462  1046.760       113.0220 844.4680       
201.3939 1139.760       136.5527 62.92554 7.623255 73.48803 4.425931 -10.56249 
8.814924 
1 1 1 13  16  24 o 39.56585 6.387689  399.9870       100.7063 184.6820       
191.4476 482.3535       118.4127 31.44285 11.32393 47.68886 5.914285 -16.24601 
12.77538 
1 1 1 13  16  25 o 54.76180 4.897597  616.2108       104.4701 704.0814       
191.9614 579.2333       124.5263 57.28532 7.981633 52.23827 5.677973 5.047050 
9.795195 
1 1 1 13  16  26 o 30.77251 6.114554  216.8025       81.32193 167.1774       
139.8961 242.1299       99.94243 28.59114 9.732395 32.95388 7.404835 -4.362734 
12.22911 
1 1 1 13  16  27 o 39.64153 6.384641  328.2291       97.81037 443.6864       
178.4901 278.6789       116.9300 44.09060 9.887678 35.19244 8.080123 8.898159 
12.76928 
1 1 1 13  16  28 o 108.3879 3.721854  2563.553       157.5549 2342.832       
272.6397 2674.223       193.0543 104.4607 6.216661 112.3152 4.094133 -7.854492 
7.443709 
1 1 1 13  16  29 o 42.43597 6.956782  440.9974       102.8047 340.5426       
235.2955 464.6982       114.2907 38.37344 12.62187 46.49850 5.854542 -8.125053 
13.91356 
1 1 1 13  16  30 o 33.89079 7.162879  144.7700       106.8122 540.4292       
226.9091 32.14184       121.0639 47.30454 11.51714 20.47703 8.519550 26.82751 
14.32576 
1 1 1 13  16  31 o 22.50568 6.990725  12.97202       110.9203 -60.94497      
238.8333 33.29977       125.2471 24.35735 10.99713 20.65402 8.633893 3.703325 
13.98145 
1 1 1 13  16  32 o 56.05136 6.367102  756.6187       122.5688 685.5284       
243.6660 780.6996       141.8169 52.30056 11.41291 59.80216 5.648488 -7.501598 
12.73420 
1 1 1 13  16  33 o 114.5971 5.359440  2945.517       222.8524 3089.445       
445.6963 2897.539       257.3293 114.1317 9.301521 115.0626 5.326922 
-0.9309158     10.71888 
1 1 1 13  16  34 o 40.61369 6.868478  498.2594       121.2376 170.2228       
243.9095 605.9021       139.7204 29.36035 12.14637 51.86704 6.416368 -22.50670 
13.73696 
1 1 1 13  16  35 o 48.24273 7.163860  513.3242       119.6698 806.4643       
265.0606 438.2743       134.1167 53.84309 12.03147 42.64237 7.779925 11.20073 
14.32772 
1 1 1 13  16  36 o 51.07480 6.904430  604.5546       124.6776 847.1718       
263.7323 534.7277       141.4861 54.46746 11.86305 47.68215 7.067715 6.785309 
13.80886 
1 1 1 13  16  37 o 29.81083 7.748552  122.7652       108.1128 559.5894       
256.5573 28.44666       119.2146 40.79066 13.17328 18.83099 8.162417 21.95968 
15.49710 
1 1 1 13  16  38 o 51.88631 7.310596  729.4993       128.0316 885.8082       
280.5526 688.3837       143.8884 50.29844 13.14160 53.47418 6.409184 -3.175743 
14.62119 
1 1 1 13  16  39 o 30.90526 8.122713  305.8246       123.3039 493.7450       
262.8179 252.7867       139.6243 33.44373 13.01461 28.36678 9.722850 5.076954 
16.24543 
1 1 1 13  17  0  o 70.36859 2.810534  1043.016       83.01421 1028.179       
118.0634 1057.524       116.7473 69.87069 4.024773 70.86650 3.923980 
-0.9958115     5.621069 
1 1 1 13  17  1  o 43.89153 4.015415  404.0862       73.10359 323.6902       
99.25249 499.4167       108.0787 39.13449 6.040915 48.64857 5.291650 -9.514076 
8.030829 
1 1 1 13  17  2  o 119.0872 3.094432  2986.706       154.6827 2975.058       
216.4567 2998.861       221.1268 118.8534 4.337909 119.3210 4.414134 
-0.4675980     6.188863 
1 1 1 13  17  3  o 90.87926 3.713839  1733.622       141.2126 1833.706       
210.5142 1651.746       190.4059 93.24326 5.377557 88.51527 5.123696 4.727989 
7.427677 
1 1 1 13  17  4  o 61.27633 3.530720  791.0353       89.89080 646.7112       
124.1189 950.2390       130.3602 55.38277 5.338070 67.16988 4.622655 -11.78711 
7.061440 
1 1 1 13  17  5  o 96.15974 3.317004  1929.107       133.1829 1776.841       
177.3953 2125.798       201.6198 91.85805 4.599874 100.4614 4.780297 -8.603378 
6.634009 
1 1 1 13  17  6  o 33.20022 5.865996  237.5122       86.91372 370.6022       
125.5550 115.0575       120.4340 41.20976 7.537320 25.19068 8.990464 16.01908 
11.73199 
1 1 1 13  17  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  17  8  o 84.74815 5.250960  1511.857       186.3483 1660.391       
274.3966 1384.713       253.8710 88.59655 7.377053 80.89977 7.474584 7.696785 
10.50192 
1 1 1 13  17  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  17  10 o 102.7939 3.533883  2200.255       150.0139 2091.057       
193.2934 2365.645       237.8842 99.65134 4.620139 105.9365 5.348610 -6.285179 
7.067766 
1 1 1 13  17  11 o 108.2613 3.915379  2382.635       162.8257 2260.793       
192.1987 2692.403       306.4572 103.6258 4.417774 112.8968 6.465605 -9.270958 
7.830758 
1 1 1 13  17  12 o 125.8737 3.778743  3351.371       193.4724 3298.312       
314.0409 3383.829       245.6205 124.9965 5.984245 126.7509 4.615668 -1.754372 
7.557485 
1 1 1 13  17  13 o 48.52602 5.269737  528.7865       95.31927 449.2520       
166.2478 567.7369       116.3415 45.17063 9.085782 51.88140 5.341263 -6.710773 
10.53947 
1 1 1 13  17  14 o 86.72633 3.624985  1601.560       124.8420 1538.474       
212.4753 1634.823       154.2820 85.34068 5.930254 88.11198 4.170629 -2.771294 
7.249969 
1 1 1 13  17  15 o 259.6283 7.524587  14450.39       763.8395 14480.82       
1351.877 14436.12       925.7807 258.8104 12.44161 260.4462 8.466642 -1.635803 
15.04917 
1 1 1 13  17  16 o 147.1015 4.077131  4521.410       241.0180 4754.953       
408.9688 4397.137       298.3296 149.8397 6.501061 144.3633 4.922215 5.476425 
8.154263 
1 1 1 13  17  17 f 114.1039 4.522057  2610.081       184.9509 3049.783       
391.1061 2483.429       209.9042 119.7041 7.782274 108.5037 4.607842 11.20042 
9.044114 
1 1 1 13  17  18 o 123.6794 4.062019  3246.158       204.2000 3202.109       
332.1633 3272.918       258.9018 122.8737 6.438932 124.4852 4.953802 -1.611496 
8.124039 
1 1 1 13  17  19 o 56.58389 4.847988  725.9662       101.8793 577.3735       
184.2787 791.3755       122.2633 51.95255 8.448688 61.21523 4.757269 -9.262672 
9.695975 
1 1 1 13  17  20 o 39.60553 5.483985  250.5858       83.41969 625.8494       
169.5358 130.7063       95.82211 54.18975 7.451872 25.02130 8.047731 29.16845 
10.96797 
1 1 1 13  17  21 o 151.5173 4.340393  4896.796       260.5433 4780.657       
447.1739 4956.484       320.5791 149.8888 7.106050 153.1458 4.985988 -3.256958 
8.680785 
1 1 1 13  17  22 o 47.82471 4.532581  465.9181       86.13245 545.7540       
152.9384 428.8337       104.2347 50.63594 7.194136 45.01349 5.515576 5.622448 
9.065163 
1 1 1 13  17  23 o 117.4664 3.364398  2932.086       156.6183 2862.009       
268.7507 2968.125       192.7275 116.2719 5.505490 118.6610 3.868627 -2.389091 
6.728796 
1 1 1 13  17  24 o 80.56235 3.832401  1357.459       119.1106 1418.764       
218.5565 1331.557       142.0615 81.70193 6.371657 79.42276 4.260420 2.279167 
7.664803 
1 1 1 13  17  25 f 75.77238 3.908949  1160.738       117.8250 1400.031       
209.6858 1050.318       142.4388 81.10716 6.157875 70.43760 4.816648 10.66956 
7.817898 
1 1 1 13  17  26 o 158.4662 4.321094  5473.405       264.3071 5051.678       
468.5637 5670.214       320.0927 153.3580 7.277518 163.5745 4.661022 -10.21657 
8.642187 
1 1 1 13  17  27 o 87.19592 4.080732  1671.647       137.8964 1492.492       
240.3327 1759.574       168.3688 83.29788 6.872267 91.09397 4.402435 -7.796089 
8.161464 
1 1 1 13  17  28 o 33.55441 6.564249  211.6557       92.89397 403.0833       
170.6738 131.0770       110.7324 41.81956 9.868324 25.28926 8.658731 16.53030 
13.12850 
1 1 1 13  17  29 o 39.27989 7.481967  317.0762       109.1554 458.5765       
235.9895 278.5630       123.1173 43.68526 12.32985 34.87452 8.479042 8.810734 
14.96393 
1 1 1 13  17  30 o 65.15801 5.174967  833.9188       129.8658 1198.032       
252.1243 702.4279       151.5108 73.45180 8.175858 56.86423 6.346374 16.58757 
10.34993 
1 1 1 13  17  31 o 25.95459 7.458905  62.14874       110.0745 204.5131       
231.1012 20.37382       125.1870 31.80761 12.23981 20.10157 8.528079 11.70604 
14.91781 
1 1 1 13  17  32 o 64.86228 5.688504  976.0946       130.5372 910.2203       
262.0362 997.8387       150.5476 61.97487 10.07086 67.74969 5.292825 -5.774815 
11.37701 
1 1 1 13  17  33 o 104.5437 4.623054  2306.854       178.7826 2746.759       
359.4727 2162.281       206.0771 109.4144 7.825506 99.67293 4.924629 9.741501 
9.246108 
1 1 1 13  17  34 o 61.05257 4.875938  836.0428       116.9719 886.3376       
206.6647 812.3362       141.8862 61.55929 7.996387 60.54585 5.581835 1.013447 
9.751876 
1 1 1 13  17  35 o 36.92597 7.055389  300.7103       101.0466 517.2234       
204.0384 230.3537       116.3113 43.57042 11.11629 30.28152 8.691501 13.28890 
14.11078 
1 1 1 13  17  36 o 43.60091 7.143480  545.8929       113.3224 430.2852       
248.7840 576.1596       127.2952 36.97671 12.94888 50.22511 6.036874 -13.24839 
14.28696 
1 1 1 13  17  37 o 19.74926 6.613411  -66.72952      117.4226 -20.05999      
255.0425 -79.28318      132.2760 23.17580 10.78948 16.32272 7.650879 6.853079 
13.22682 
1 1 1 13  17  38 o 22.59991 7.097105  82.29897       118.8120 101.2749       
251.6129 76.85366       134.7852 24.38014 11.10414 20.81967 8.841592 3.560467 
14.19421 
1 1 1 13  17  39 o 18.49459 6.326541  -79.25007      109.8476 74.27324       
250.1889 -115.9127      122.2624 22.76657 10.63271 14.22260 6.859014 8.543964 
12.65308 
1 1 1 13  18  0  o 104.5872 2.919220  2311.027       127.0754 2261.401       
191.6402 2349.971       169.7651 103.5532 4.408026 105.6213 3.828407 -2.068085 
5.838440 
1 1 1 13  18  1  o 160.2411 3.617668  5376.673       241.6993 5066.189       
320.0982 5788.487       368.6495 154.9382 4.920914 165.5441 5.304215 -10.60583 
7.235336 
1 1 1 13  18  2  o 144.4904 3.178942  4399.825       191.6633 4409.492       
287.4957 4392.092       257.1429 144.6004 4.735687 144.3804 4.242164 0.2200012 
6.357883 
1 1 1 13  18  3  o 131.1285 3.423579  3581.410       185.4577 3392.551       
239.0474 3866.947       293.9317 126.8810 4.487544 135.3760 5.171609 -8.495064 
6.847159 
1 1 1 13  18  4  o 150.6871 4.031505  4783.022       253.9097 4675.358       
341.6008 4915.942       379.5559 148.8329 5.466900 152.5414 5.926646 -3.708572 
8.063009 
1 1 1 13  18  5  o 77.48503 3.752580  1267.378       121.9960 1231.123       
173.8964 1302.513       171.1921 76.38476 5.422566 78.58530 5.188758 -2.200539 
7.505160 
1 1 1 13  18  6  o 41.31012 5.399031  377.3791       89.80791 172.9229       
122.6332 613.8525       131.8861 28.69972 9.091565 53.92051 5.825942 -25.22079 
10.79806 
1 1 1 13  18  7  o 96.50897 3.497284  1964.506       141.5619 1999.043       
196.9355 1927.581       203.6296 97.39741 4.816124 95.62054 5.072370 1.776871 
6.994568 
1 1 1 13  18  8  o 93.50898 4.722025  1845.170       185.1830 1758.822       
255.0189 1941.491       269.3445 91.20130 6.660279 95.81666 6.695579 -4.615356 
9.444051 
1 1 1 13  18  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  18  10 o 214.0833 8.460308  9496.536       699.6776 10778.24       
1302.482 8976.648       829.5302 222.9766 13.91341 205.1900 9.629350 17.78651 
16.92062 
1 1 1 13  18  11 o 171.7286 5.360421  6156.097       355.1586 6497.043       
653.0146 6012.883       423.2280 174.7325 8.901644 168.7247 5.974711 6.007858 
10.72084 
1 1 1 13  18  12 o 19.41940 5.866876  -3.932954      77.60827 28.59318       
143.8498 -17.28742      92.17355 22.45896 9.311832 16.37984 7.139378 6.079121 
11.73375 
1 1 1 13  18  13 o 152.6106 4.445144  4909.614       274.9081 4986.402       
453.8184 4865.103       345.5172 153.4051 7.046338 151.8162 5.420917 1.588882 
8.890287 
1 1 1 13  18  14 o 146.5295 4.162453  4463.330       237.2823 4738.144       
430.5476 4343.449       284.3654 149.5346 6.858047 143.5243 4.719243 6.010315 
8.324905 
1 1 1 13  18  15 o 58.41059 4.533435  724.5678       99.12109 717.9214       
188.7878 727.0974       116.4654 58.10835 7.738491 58.71283 4.724816 
-0.6044807     9.066870 
1 1 1 13  18  16 o 211.4455 4.995647  9464.409       424.2251 9593.704       
714.3691 9393.975       527.2636 212.2104 8.018204 210.6806 5.961071 1.529770 
9.991294 
1 1 1 13  18  17 o 173.8466 4.633179  6487.048       328.7279 6068.117       
521.1349 6763.898       423.6449 168.8938 7.349494 178.7994 5.643610 -9.905579 
9.266358 
1 1 1 13  18  18 o 140.6400 3.995267  4252.133       227.6529 3921.792       
366.1565 4460.294       290.6603 135.9480 6.415269 145.3320 4.763713 -9.383957 
7.990534 
1 1 1 13  18  19 o 106.5360 3.579496  2313.563       147.8621 2622.697       
273.7913 2186.277       175.6853 111.2538 5.861733 101.8182 4.109899 9.435555 
7.158993 
1 1 1 13  18  20 o 117.4844 3.894651  2931.363       175.9277 2896.376       
320.2727 2946.482       210.5352 116.7841 6.532166 118.1846 4.243115 -1.400490 
7.789302 
1 1 1 13  18  21 o 268.8613 6.150725  15466.98       655.2753 15532.16       
1131.218 15434.06       803.8816 268.3959 10.03902 269.3268 7.109412 
-0.9308777     12.30145 
1 1 1 13  18  22 o 33.27572 6.057764  258.8785       86.67016 162.2411       
141.6084 316.7607       109.5945 28.56723 9.791677 37.98420 7.135059 -9.416965 
12.11553 
1 1 1 13  18  23 o 41.03022 5.141500  380.0264       81.09216 319.4259       
135.8909 413.5414       101.0581 37.86478 8.722177 44.19565 5.446439 -6.330868 
10.28300 
1 1 1 13  18  24 o 71.76640 3.461236  1116.908       100.4840 974.0811       
159.3036 1211.284       129.4947 67.77467 5.598598 75.75813 4.071401 -7.983452 
6.922471 
1 1 1 13  18  25 o 152.6145 3.346856  4902.244       207.5677 5048.548       
341.4229 4816.465       261.4282 154.2518 5.272098 150.9773 4.124410 3.274475 
6.693711 
1 1 1 13  18  26 o 65.32130 4.080098  883.8215       104.3214 980.8081       
188.8292 841.2155       125.1551 67.66512 6.646996 62.97748 4.733522 4.687637 
8.160195 
1 1 1 13  18  27 o 78.39683 3.953917  1255.560       121.5031 1470.940       
221.6789 1163.071       145.2674 82.79755 6.377169 73.99610 4.676064 8.801453 
7.907835 
1 1 1 13  18  28 o 39.38630 6.116806  386.4691       90.69325 253.2698       
174.8638 435.4846       106.0757 33.66722 10.87584 45.10538 5.601555 -11.43816 
12.23361 
1 1 1 13  18  29 o 62.68482 5.527147  887.1398       121.4758 813.0677       
247.7329 910.5880       139.3830 60.12963 9.813326 65.24001 5.088816 -5.110378 
11.05429 
1 1 1 13  18  30 o 30.79886 7.646935  152.4357       109.2641 349.6504       
225.8453 92.16882       124.8478 38.15318 12.36349 23.44454 9.002584 14.70864 
15.29387 
1 1 1 13  18  31 o 56.15345 6.414565  780.5167       123.0073 624.4030       
239.5247 836.4366       143.3550 50.19489 11.59159 62.11200 5.497413 -11.91711 
12.82913 
1 1 1 13  18  32 o 49.97343 6.513246  571.4814       115.6122 628.1629       
233.2850 553.0280       133.1079 49.90831 11.38173 50.03856 6.336071 
-0.1302452     13.02649 
1 1 1 13  18  33 o 27.84649 7.110695  165.7766       96.16131 200.5947       
193.6748 154.3849       110.7809 29.80654 11.28014 25.88644 8.660626 3.920101 
14.22139 
1 1 1 13  18  34 o 45.97064 7.034483  456.0459       109.6841 681.7460       
255.4465 405.0277       121.4497 49.77601 12.28283 42.16526 6.860611 7.610748 
14.06897 
1 1 1 13  18  35 o 76.79439 5.779488  1380.285       149.6273 1456.256       
327.3733 1360.224       168.2266 75.21827 10.36671 78.37050 5.112851 -3.152229 
11.55898 
1 1 1 13  18  36 o 35.52141 7.767364  350.6358       117.8808 360.8966       
248.1285 347.6448       133.9641 34.25721 12.81356 36.78561 8.782963 -2.528404 
15.53473 
1 1 1 13  18  37 o 29.09348 7.849054  224.3569       119.5518 280.5084       
252.2958 208.0980       135.7614 30.42098 12.43558 27.76597 9.580555 2.655010 
15.69811 
1 1 1 13  18  38 o 24.13345 6.263266  158.1408       98.18212 -108.3768      
208.5625 234.0199       111.2844 19.12519 9.158188 29.14170 8.546436 -10.01651 
12.52653 
1 1 1 13  18  39 f 17.32267 5.972670  -112.6967      116.8688 -100.1303      
241.6738 -116.5324      133.5185 19.73373 9.542513 14.91160 7.185513 4.822125 
11.94534 
1 1 1 13  19  0  f 112.6952 2.905954  2675.496       137.2155 2716.290       
201.1601 2639.999       187.6478 113.4838 4.222106 111.9066 3.994009 1.577209 
5.811909 
1 1 1 13  19  1  o 105.5548 2.974246  2347.639       131.6723 2385.926       
191.1794 2313.087       181.6141 106.3644 4.281201 104.7451 4.129874 1.619324 
5.948491 
1 1 1 13  19  2  o 120.4114 3.273529  3059.569       165.4199 3171.421       
234.6873 2949.131       233.1978 122.6080 4.559233 118.2148 4.698655 4.393211 
6.547057 
1 1 1 13  19  3  o 22.28944 5.756189  85.34611       70.52980 69.30542       
99.97279 101.2409       99.51718 21.34010 8.096048 23.23878 8.184672 -1.898685 
11.51238 
1 1 1 13  19  4  o 87.92865 3.032295  1609.923       111.2461 1821.288       
168.9813 1448.246       147.7909 92.95787 4.329856 82.89942 4.246364 10.05845 
6.064591 
1 1 1 13  19  5  o 63.15757 3.658150  833.9986       96.45606 918.2619       
146.1733 769.0085       128.3726 65.94929 5.279332 60.36585 5.065265 5.583435 
7.316301 
1 1 1 13  19  6  o 58.32187 3.839217  715.4480       93.63920 631.6027       
128.4970 810.3938       136.7386 54.68155 5.597229 61.96218 5.256364 -7.280628 
7.678434 
1 1 1 13  19  7  o 99.01207 3.567800  2064.107       147.8082 2312.000       
213.9604 1837.807       204.4299 104.7046 4.867305 93.31952 5.217865 11.38511 
7.135599 
1 1 1 13  19  8  o 145.2463 5.985373  4498.262       307.2273 4473.144       
637.7778 4505.852       350.5848 144.4435 10.51701 146.0491 5.717618 -1.605637 
11.97075 
1 1 1 13  19  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  19  10 o 80.36884 4.203235  1360.561       141.8242 0.000000       
0.000000 1360.561       141.8242 ?        ?        80.36884 4.203235 ? ? 
1 1 1 13  19  11 o 86.75105 5.013450  1516.536       140.0875 1722.084       
340.2941 1474.595       153.7169 89.84846 9.021210 83.65363 4.376812 6.194832 
10.02690 
1 1 1 13  19  12 o 90.60190 3.659691  1734.405       134.3716 1725.863       
220.7186 1739.436       169.3766 90.35897 5.818200 90.84483 4.440935 
-0.4858551     7.319382 
1 1 1 13  19  13 o 162.3719 4.765718  5596.741       296.6110 5567.320       
543.6768 5609.208       353.9221 161.7454 8.006266 162.9984 5.171843 -1.253036 
9.531435 
1 1 1 13  19  14 o 102.1743 3.844888  2177.938       155.0627 2288.382       
273.1092 2125.399       188.3683 103.9516 6.257863 100.3969 4.468982 3.554726 
7.689775 
1 1 1 13  19  15 o 226.3100 5.356176  10833.14       491.2615 11147.62       
812.9757 10652.27       616.5623 228.4974 8.474564 224.1227 6.552578 4.374756 
10.71235 
1 1 1 13  19  16 o 101.8014 3.380249  2191.682       133.6935 2178.153       
239.3708 2197.816       161.1755 101.4616 5.619407 102.1412 3.758538 
-0.6795883     6.760499 
1 1 1 13  19  17 o 53.36990 4.096223  530.2075       84.70418 810.6933       
163.1059 426.6275       99.11793 61.82218 6.284148 44.91763 5.256013 16.90455 
8.192447 
1 1 1 13  19  18 o 84.17995 3.276351  1445.482       105.5816 1620.143       
199.5380 1377.566       124.4273 87.49966 5.431756 80.86024 3.665233 6.639412 
6.552702 
1 1 1 13  19  19 o 117.1713 3.383180  2910.188       138.7435 2881.624       
292.1179 2918.508       157.6616 116.5954 5.967574 117.7472 3.189308 -1.151772 
6.766359 
1 1 1 13  19  20 o 61.35833 4.270888  819.5804       98.70093 748.2275       
182.0478 849.2866       117.4635 59.27620 7.315199 63.44047 4.410195 -4.164268 
8.541777 
1 1 1 13  19  21 o 117.2197 3.045059  2857.048       140.9129 3021.120       
248.5059 2779.292       171.0752 119.5702 4.950337 114.8692 3.547353 4.700966 
6.090119 
1 1 1 13  19  22 o 159.0944 3.131664  5365.452       205.1944 5220.115       
320.8104 5466.075       266.9379 157.1740 4.861708 161.0147 3.948806 -3.840744 
6.263328 
1 1 1 13  19  23 o 79.44281 3.595537  1290.898       114.6275 1484.520       
198.5687 1194.127       140.3796 83.68900 5.651496 75.19662 4.446588 8.492386 
7.191074 
1 1 1 13  19  24 o 114.2053 3.689882  2788.333       161.4063 2704.199       
294.2969 2824.527       193.0270 112.7346 6.217981 115.6760 3.974622 -2.941376 
7.379764 
1 1 1 13  19  25 o 39.22720 6.133066  370.9624       95.60242 242.5733       
166.7817 433.7936       116.6734 33.35116 10.60633 45.10323 6.161481 -11.75208 
12.26613 
1 1 1 13  19  26 o 56.48802 4.351319  620.8480       96.15942 859.9766       
180.2905 525.7783       113.6785 63.29158 6.784972 49.68446 5.449777 13.60712 
8.702638 
1 1 1 13  19  27 o 84.62427 3.491728  1578.770       110.8983 1397.621       
203.7613 1655.013       132.1919 80.77330 6.008624 88.47523 3.558805 -7.701927 
6.983455 
1 1 1 13  19  28 o 121.2728 2.799736  3117.118       126.3219 3123.186       
243.5600 3114.885       147.7471 121.0663 4.791858 121.4794 2.896926 
-0.4131165     5.599472 
1 1 1 13  19  29 o 67.30045 5.072952  978.7411       127.1475 1010.501       
245.4582 967.0938       148.6445 67.44537 8.668550 67.15551 5.272154 0.2898636 
10.14590 
1 1 1 13  19  30 o 85.25320 4.896990  1502.732       150.5200 1780.627       
314.9312 1420.458       171.3591 89.19851 8.409673 81.30789 5.019906 7.890617 
9.793981 
1 1 1 13  19  31 o 95.25883 5.084227  2027.749       170.6119 1988.830       
351.1995 2039.771       195.1922 93.18876 8.976589 97.32891 4.776850 -4.140152 
10.16845 
1 1 1 13  19  32 o 55.64921 5.576516  739.9227       108.1799 645.3607       
207.4729 775.2314       126.7779 51.54319 9.942469 59.75523 5.053459 -8.212048 
11.15303 
1 1 1 13  19  33 o 24.45091 7.296598  68.08557       111.4177 114.7515       
231.3156 53.98814       127.1379 27.69833 11.66362 21.20349 8.770484 6.494844 
14.59320 
1 1 1 13  19  34 o 56.59090 6.864721  815.4612       130.9581 747.0012       
267.7110 836.9966       150.1496 51.93742 12.42567 61.24438 5.839545 -9.306961 
13.72944 
1 1 1 13  19  35 o 27.26963 7.157668  183.9503       115.3179 -19.10474      
242.8697 243.0534       131.0302 23.78684 10.85418 30.75241 9.333574 -6.965574 
14.31534 
1 1 1 13  19  36 o 28.20160 7.471643  147.3500       103.0778 371.2285       
222.4254 86.11859       116.3229 34.96971 12.24393 21.43350 8.566672 13.53621 
14.94329 
1 1 1 13  19  37 o 26.05937 7.427481  161.8596       110.2185 157.7115       
252.9097 162.8321       122.4592 26.89220 11.77266 25.22654 9.059489 1.665655 
14.85496 
1 1 1 13  19  38 o 69.94741 6.639740  1444.074       152.1766 1025.731       
279.9686 1619.500       181.2969 56.02318 12.24074 83.87164 5.148685 -27.84846 
13.27948 
1 1 1 13  19  39 o 29.21298 8.054989  319.7169       146.6236 261.4147       
239.2233 354.7975       185.5646 26.89905 11.60970 31.52691 11.16898 -4.627855 
16.10998 
1 1 1 13  20  0  o 35.76409 4.615490  289.2984       65.10458 223.7725       
102.0545 334.2652       84.54186 31.76344 7.717952 39.76474 5.064013 -8.001299 
9.230981 
1 1 1 13  20  1  o 145.0774 3.420645  4443.070       208.2360 4342.854       
288.8017 4551.589       300.5285 143.3824 4.797610 146.7724 4.877109 -3.389954 
6.841290 
1 1 1 13  20  2  o 184.4464 3.832254  7212.991       294.1792 7077.777       
444.0470 7318.756       392.7281 182.8018 5.785883 186.0911 5.026753 -3.289307 
7.664508 
1 1 1 13  20  3  f 87.08401 3.209505  1590.645       116.7729 1507.100       
156.1545 1696.635       175.8841 84.51966 4.400660 89.64838 4.673101 -5.128716 
6.419009 
1 1 1 13  20  4  o 126.8291 3.327765  3396.752       177.0415 3432.249       
246.0712 3358.659       254.9118 127.5325 4.595796 126.1257 4.814014 1.406807 
6.655529 
1 1 1 13  20  5  o 145.5225 3.744251  4467.291       226.9926 4540.694       
344.2308 4410.815       301.9424 146.5210 5.595911 144.5239 4.976287 1.997131 
7.488501 
1 1 1 13  20  6  o 146.1309 4.008378  4508.677       245.5505 4651.298       
359.1615 4383.508       336.4698 148.2774 5.769469 143.9843 5.566112 4.293060 
8.016756 
1 1 1 13  20  7  o 29.56174 5.403782  176.1048       61.99609 236.7137       
119.4339 153.7507       72.53346 32.70949 8.587569 26.41398 6.561791 6.295506 
10.80756 
1 1 1 13  20  8  o 145.8281 5.525824  4645.960       283.2938 4301.338       
581.4096 4753.252       324.4092 141.6268 9.778172 150.0293 5.150367 -8.402435 
11.05165 
1 1 1 13  20  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  20  10 f 84.43608 4.245170  1573.596       130.7554 1375.232       
250.5527 1647.840       153.2841 80.44217 7.418846 88.42999 4.128750 -7.987823 
8.490339 
1 1 1 13  20  11 o 62.99892 4.688144  842.5993       107.3130 839.3162       
214.2242 843.6992       123.9921 62.75860 8.130483 63.23924 4.670122 
-0.4806442     9.376288 
1 1 1 13  20  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  20  13 o 100.2643 4.451053  2098.996       160.5410 2192.306       
329.1257 2069.864       183.9028 101.4635 7.726327 99.06513 4.421692 2.398354 
8.902106 
1 1 1 13  20  14 o 153.1098 4.245583  5012.410       242.2755 4862.046       
462.0600 5069.426       284.5245 151.1890 7.279459 155.0306 4.371427 -3.841599 
8.491166 
1 1 1 13  20  15 o 74.97292 3.415209  1166.451       99.67129 1242.149       
180.8027 1133.403       119.4632 76.60963 5.621375 73.33620 3.880046 3.273430 
6.830419 
1 1 1 13  20  16 o 147.5558 4.042198  4595.574       228.6476 4647.836       
420.8401 4573.686       272.3516 147.8881 6.778053 147.2235 4.406297 0.6645508 
8.084395 
1 1 1 13  20  17 o 173.5222 3.831726  6416.217       258.3288 6251.922       
459.9931 6491.905       312.2124 171.6190 6.384208 175.4255 4.239148 -3.806473 
7.663451 
1 1 1 13  20  18 o 97.42050 3.163117  2044.286       123.6312 1855.092       
202.4940 2156.723       156.1032 93.66673 5.149297 101.1743 3.675046 -7.507553 
6.326233 
1 1 1 13  20  19 o 69.05122 3.778156  885.1386       98.50632 1307.884       
199.4112 748.6807       113.2947 78.54665 6.047040 59.55579 4.531131 18.99086 
7.556312 
1 1 1 13  20  20 o 78.89429 3.675584  1317.709       113.8251 1311.613       
199.9908 1320.630       138.4343 78.65697 6.056111 79.13159 4.166916 
-0.4746170     7.351168 
1 1 1 13  20  21 o 131.5109 3.818727  3706.695       204.7579 3449.650       
325.0290 3875.828       263.6524 127.5436 6.069941 135.4783 4.635357 -7.934631 
7.637455 
1 1 1 13  20  22 o 90.79327 3.344545  1756.309       122.9265 1685.500       
200.4743 1798.974       155.6141 89.23138 5.351336 92.35516 4.013367 -3.123787 
6.689089 
1 1 1 13  20  23 o 110.0834 3.428454  2606.942       154.1479 2353.949       
241.1982 2781.618       200.4186 105.3802 5.451750 114.7866 4.158799 -9.406334 
6.856908 
1 1 1 13  20  24 o 126.5076 3.766567  3453.840       196.5897 2912.948       
289.7143 3915.433       267.6360 117.0170 5.897149 135.9982 4.687404 -18.98121 
7.533135 
1 1 1 13  20  25 o 41.05206 5.975890  363.6433       91.39774 391.7558       
176.0454 353.2699       106.9392 41.44086 10.17873 40.66326 6.264058 0.7775993 
11.95178 
1 1 1 13  20  26 o 24.71467 5.913351  90.72300       67.22888 213.4213       
134.4422 49.81093       77.63223 31.00186 9.463305 18.42748 7.093428 12.57438 
11.82670 
1 1 1 13  20  27 o 100.8309 3.681042  2224.544       136.8348 2049.358       
261.4156 2290.656       160.5922 97.62161 6.378323 104.0401 3.676585 -6.418518 
7.362084 
1 1 1 13  20  28 o 37.44836 5.975249  367.9644       86.11131 185.0426       
170.9457 430.1635       99.68221 30.06323 10.71300 44.83348 5.295857 -14.77025 
11.95050 
1 1 1 13  20  29 o 56.75969 5.231502  558.0788       100.4132 993.1293       
247.6597 472.4922       109.8471 66.67261 8.847669 46.84676 5.585089 19.82584 
10.46300 
1 1 1 13  20  30 o 59.34163 6.476155  891.6969       128.2622 648.1937       
249.6850 978.9882       149.4946 51.31409 11.82480 67.36916 5.285492 -16.05508 
12.95231 
1 1 1 13  20  31 o 29.19351 7.598176  179.1697       112.1838 167.3929       
226.6345 182.9918       129.1111 30.08868 11.97964 28.29834 9.349722 1.790340 
15.19635 
1 1 1 13  20  32 o 52.97924 5.694819  691.1545       101.4369 564.6629       
201.1187 734.3097       117.4730 47.74467 10.32574 58.21380 4.806547 -10.46913 
11.38964 
1 1 1 13  20  33 o 47.26701 7.095708  532.2663       118.7285 598.5913       
250.2112 512.9926       134.8806 46.83743 12.49106 47.69660 6.735709 
-0.8591690     14.19142 
1 1 1 13  20  34 o 65.37334 5.865002  1003.437       130.8780 1025.067       
279.8981 997.3844       148.0614 63.55244 10.49032 67.19424 5.248446 -3.641796 
11.73000 
1 1 1 13  20  35 o 27.92304 6.066242  215.0378       96.36636 -103.3385      
203.2264 307.3896       109.4541 20.25890 9.493620 35.58718 7.554359 -15.32828 
12.13248 
1 1 1 13  20  36 o 23.61949 6.483216  91.67815       116.0751 -383.0626      
247.4433 225.6207       131.4337 18.01610 8.901858 29.22288 9.427898 -11.20677 
12.96643 
1 1 1 13  20  37 o 30.35836 7.603839  273.6937       119.7327 215.6577       
238.4114 293.2683       138.4601 28.17467 11.85158 32.54204 9.529612 -4.367373 
15.20768 
1 1 1 13  20  38 o 37.29209 6.963910  397.4280       100.6475 450.8351       
205.2766 380.5260       115.4807 36.12132 11.78926 38.46286 7.416032 -2.341537 
13.92782 
1 1 1 13  20  39 o 28.95397 8.097454  263.5692       143.8299 507.2490       
243.7241 133.3589       178.1605 34.88799 12.75575 23.01994 9.978265 11.86805 
16.19491 
1 1 1 13  21  0  o 79.14207 2.858067  1317.494       94.60388 1354.963       
140.8541 1286.700       127.6924 80.15224 4.185764 78.13191 3.892759 2.020332 
5.716135 
1 1 1 13  21  1  o 81.73051 2.920594  1409.205       100.0298 1399.783       
145.7031 1417.604       137.5736 81.46004 4.260351 82.00098 3.996108 
-0.5409393     5.841187 
1 1 1 13  21  2  o 56.02902 3.399000  662.5515       79.91862 686.0887       
115.0392 640.5959       111.1073 56.98985 4.808054 55.06818 4.805770 1.921669 
6.798001 
1 1 1 13  21  3  o 152.8453 2.996773  4945.138       177.9648 4883.392       
318.1248 4973.263       214.7038 152.0042 4.984974 153.6863 3.327557 -1.682098 
5.993547 
1 1 1 13  21  4  o 87.53179 2.512007  1618.890       88.36411 1596.473       
147.6673 1631.395       110.2900 87.01395 4.042189 88.04964 2.983525 -1.035690 
5.024014 
1 1 1 13  21  5  o 89.99194 2.641634  1692.279       94.87330 1751.694       
162.8738 1661.767       116.7192 91.12733 4.257196 88.85657 3.128772 2.270760 
5.283269 
1 1 1 13  21  6  o 213.9211 4.092065  9751.909       357.5621 9419.587       
571.0245 9966.259       458.6004 210.6748 6.455997 217.1673 5.029919 -6.492538 
8.184130 
1 1 1 13  21  7  o 63.44339 3.197873  900.8839       76.64194 724.6088       
135.5161 983.7810       92.93201 58.52176 5.515624 68.36502 3.237818 -9.843266 
6.395746 
1 1 1 13  21  8  o 208.9029 5.852096  9418.912       490.3233 8978.956       
814.2368 9669.225       614.1674 204.4694 9.485132 213.3364 6.857139 -8.866943 
11.70419 
1 1 1 13  21  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  21  10 o 101.4340 4.008254  2014.975       146.6620 2503.236       
311.2113 1875.581       166.2847 108.5560 6.828460 94.31195 4.199587 14.24402 
8.016508 
1 1 1 13  21  11 o 71.61308 4.065945  1066.371       113.9425 1139.073       
204.7719 1033.766       137.1330 73.24644 6.658935 69.97972 4.667570 3.266724 
8.131889 
1 1 1 13  21  12 o 76.72383 4.217134  1270.460       122.5947 1192.009       
225.6357 1303.320       146.0297 74.85308 7.179914 78.59457 4.425574 -3.741493 
8.434267 
1 1 1 13  21  13 o 33.64732 7.073267  228.7115       94.81051 284.4063       
197.3082 211.9908       108.1098 36.34482 11.53397 30.94981 8.190969 5.395006 
14.14653 
1 1 1 13  21  14 o 135.5029 8.569446  3930.844       487.5064 3930.844       
487.5064 0.000000       0.000000 135.5029 8.569446 ?        ?        ? ? 
1 1 1 13  21  15 o 73.53084 4.389339  1137.188       131.2686 1186.123       
216.0667 1108.559       165.2651 74.68464 6.890928 72.37704 5.438779 2.307594 
8.778679 
1 1 1 13  21  16 o 35.89600 5.845601  276.3062       81.67120 314.5551       
145.8666 258.8400       98.57032 37.53338 9.293868 34.25861 7.092827 3.274776 
11.69120 
1 1 1 13  21  17 o 74.30094 3.336690  1182.933       98.36108 1112.241       
166.6927 1220.695       121.8322 72.49535 5.476808 76.10653 3.812950 -3.611176 
6.673381 
1 1 1 13  21  18 o 68.43056 3.634554  930.1721       97.24901 1155.477       
180.1849 837.5661       115.5188 73.85658 5.810992 63.00455 4.367187 10.85203 
7.269109 
1 1 1 13  21  19 o 36.83176 5.625536  240.7098       86.25871 516.4705       
155.1187 117.2643       103.7852 49.22836 7.505332 24.43516 8.381923 24.79320 
11.25107 
1 1 1 13  21  20 o 165.3201 3.414085  5801.546       228.0513 5671.477       
375.4756 5877.575       287.0658 163.6965 5.463407 166.9437 4.095740 -3.247253 
6.828170 
1 1 1 13  21  21 o 93.15347 3.269539  1805.675       121.8068 1921.653       
209.4386 1746.396       149.7347 95.29910 5.234666 91.00784 3.918905 4.291260 
6.539078 
1 1 1 13  21  22 o 110.0387 3.308064  2500.058       140.6841 2711.677       
259.5836 2412.052       167.4006 113.1200 5.465866 106.9573 3.727928 6.162704 
6.616127 
1 1 1 13  21  23 o 77.03661 3.247013  1259.150       102.3921 1238.327       
163.3937 1272.615       131.3909 76.44275 5.091199 77.63046 4.031384 -1.187706 
6.494025 
1 1 1 13  21  24 o 90.26219 3.497914  1665.359       118.2443 1868.172       
231.7044 1593.942       137.4961 93.64787 5.893287 86.87651 3.769721 6.771355 
6.995829 
1 1 1 13  21  25 o 67.79435 3.685051  977.3232       93.04870 978.5596       
178.9738 976.8654       108.9275 67.61575 6.304674 67.97295 3.817001 
-0.3571930     7.370103 
1 1 1 13  21  26 o 69.47957 3.936230  1082.730       100.0903 921.2081       
188.9466 1145.734       118.0077 65.38147 6.883440 73.57766 3.820194 -8.196190 
7.872460 
1 1 1 13  21  27 o 37.40722 6.057025  292.6399       82.66428 374.5136       
169.4166 267.0565       94.70292 40.19665 10.05443 34.61778 6.757121 5.578865 
12.11405 
1 1 1 13  21  28 o 38.36785 7.092852  341.4990       99.15729 299.7134       
235.8875 350.4672       109.2813 36.49498 12.62510 40.24073 6.468464 -3.745750 
14.18570 
1 1 1 13  21  29 o 37.73489 7.602129  315.5052       114.1596 394.5015       
227.6056 288.9521       131.9583 40.24537 12.31878 35.22440 8.911624 5.020962 
15.20426 
1 1 1 13  21  30 o 101.0083 3.938059  2157.969       147.6366 2328.560       
289.9636 2098.269       171.5359 102.9182 6.710767 99.09842 4.122963 3.819824 
7.876117 
1 1 1 13  21  31 o 23.89814 7.127542  -58.05568      108.2506 246.2582       
231.7703 -142.9620      122.4241 32.97681 12.37421 14.81946 7.077169 18.15734 
14.25508 
1 1 1 13  21  32 o 20.06111 6.584050  -88.73383      109.3121 -6.801147      
229.5959 -112.7501      124.3048 24.54283 10.94176 15.57938 7.326437 8.963453 
13.16810 
1 1 1 13  21  33 o 35.38327 7.515100  338.8149       117.7407 237.3284       
240.4878 370.8104       135.0311 31.64929 12.42208 39.11724 8.461610 -7.467955 
15.03020 
1 1 1 13  21  34 o 23.33321 7.221858  25.98552       111.8942 143.2040       
241.8008 -5.955690      126.2221 28.09325 11.88201 18.57317 8.212112 9.520082 
14.44372 
1 1 1 13  21  35 o 38.77337 7.968849  393.3902       120.8644 483.8770       
264.4815 369.5051       135.8831 39.26527 13.38180 38.28147 8.656652 0.9838066 
15.93770 
1 1 1 13  21  36 o 20.67538 6.494877  18.71044       111.9409 -174.5335      
228.2410 79.91626       128.4509 19.80618 9.507433 21.54459 8.851126 -1.738415 
12.98975 
1 1 1 13  21  37 o 19.70780 6.149312  28.97280       98.22373 -72.40102      
184.6640 68.96989       115.9935 19.21775 9.013597 20.19785 8.367272 
-0.9801006     12.29862 
1 1 1 13  21  38 o 22.34368 7.033385  82.96381       117.5541 138.6013       
239.3485 65.27631       134.9523 24.53124 11.04589 20.15611 8.709895 4.375137 
14.06677 
1 1 1 13  22  0  o 118.0882 2.262266  2949.753       103.9291 2898.373       
185.1582 2973.387       125.5770 117.2685 3.760822 118.9080 2.515476 -1.639503 
4.524533 
1 1 1 13  22  1  o 26.03448 4.695283  140.0372       49.25217 183.4918       
86.33574 119.0727       59.96733 28.79875 7.161814 23.27022 6.073810 5.528536 
9.390567 
1 1 1 13  22  2  o 56.03740 2.828669  676.3819       59.40139 629.8135       
111.1837 694.9838       70.27106 54.60157 4.850169 57.47323 2.912272 -2.871662 
5.657338 
1 1 1 13  22  3  o 70.60965 2.600712  982.5778       71.09846 1227.227       
134.3956 887.4996       83.78255 76.27994 4.196583 64.93936 3.073029 11.34058 
5.201424 
1 1 1 13  22  4  o 28.92983 4.815289  166.4333       54.08679 243.2832       
99.79720 134.4725       64.35841 33.15932 7.362385 24.70034 6.208328 8.458984 
9.630579 
1 1 1 13  22  5  o 25.26151 4.872593  153.6491       54.87538 58.06156       
101.7951 192.8065       65.15279 20.79486 8.098154 29.72815 5.421123 -8.933298 
9.745187 
1 1 1 13  22  6  o 193.6107 3.546724  7936.246       284.8615 7836.687       
436.3781 8010.174       376.0338 192.4448 5.401047 194.7767 4.598445 -2.331909 
7.093448 
1 1 1 13  22  7  o 21.95566 5.076885  102.5874       53.03283 47.99474       
102.1337 122.7403       62.05408 20.28743 8.053108 23.62388 6.184373 -3.336449 
10.15377 
1 1 1 13  22  8  o 33.47703 6.675512  249.0128       91.38580 221.3974       
177.4208 258.9851       106.6168 32.76261 10.96022 34.19145 7.623878 -1.428841 
13.35102 
1 1 1 13  22  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  22  10 o 265.5192 7.327131  15296.90       783.8664 15002.07       
1297.205 15466.47       983.7962 262.3887 11.77564 268.6497 8.722479 -6.260925 
14.65426 
1 1 1 13  22  11 o 110.8217 3.983379  2592.285       167.5965 2620.011       
313.5116 2581.192       198.3112 111.0317 6.725550 110.6117 4.270387 0.4199448 
7.966758 
1 1 1 13  22  12 o 82.40204 4.259266  1489.485       133.8387 1315.757       
239.5187 1568.355       161.3846 78.60294 7.258080 86.20114 4.459336 -7.598198 
8.518533 
1 1 1 13  22  13 o 75.86572 4.200865  1103.086       116.0377 1462.937       
245.7257 999.8104       131.6398 82.91430 7.058985 68.81715 4.556293 14.09715 
8.401731 
1 1 1 13  22  14 o 31.59922 6.784788  225.4463       99.48590 123.0571       
176.4785 273.1416       120.4488 28.14536 10.73359 35.05307 8.302017 -6.907717 
13.56958 
1 1 1 13  22  15 o 76.78281 5.116686  1246.392       164.9422 0.000000       
0.000000 1246.392       164.9422 ?        ?        76.78281 5.116686 ? ? 
1 1 1 13  22  16 o 96.50983 6.784529  1979.480       274.8971 1979.480       
274.8971 0.000000       0.000000 96.50983 6.784529 ?        ?        ? ? 
1 1 1 13  22  17 o 74.92972 3.761090  1191.791       117.7120 1056.297       
166.7495 1326.380       166.1918 70.63603 5.622887 79.22341 4.996631 -8.587379 
7.522179 
1 1 1 13  22  18 o 141.8001 3.404220  4237.903       197.5005 4290.139       
317.9456 4205.082       252.0199 142.4123 5.317731 141.1880 4.251657 1.224304 
6.808440 
1 1 1 13  22  19 o 134.8850 3.425698  3821.051       184.0403 3917.498       
316.4750 3771.769       226.2261 136.0281 5.541558 133.7419 4.028991 2.286179 
6.851397 
1 1 1 13  22  20 o 117.3342 3.488117  2958.341       164.4652 2737.074       
269.9363 3088.969       207.4068 113.6569 5.657005 121.0114 4.082418 -7.354530 
6.976234 
1 1 1 13  22  21 o 155.9390 3.193961  5068.023       181.3860 5278.289       
365.0930 4999.114       209.0054 157.8127 5.510392 154.0652 3.231275 3.747528 
6.387923 
1 1 1 13  22  22 o 42.68976 5.690392  438.8020       86.31729 317.4214       
165.0029 484.5343       101.2810 37.55423 10.20188 47.82529 5.044192 -10.27105 
11.38078 
1 1 1 13  22  23 o 63.93305 3.658404  876.8312       82.64049 849.8923       
170.5760 885.0938       94.46755 63.09309 6.439575 64.77301 3.473839 -1.679920 
7.316808 
1 1 1 13  22  24 f 47.11043 4.649507  416.6117       83.83487 630.0704       
165.6173 343.0729       97.20907 54.10934 7.290452 40.11152 5.772431 13.99782 
9.299014 
1 1 1 13  22  25 o 38.92282 5.065646  296.6623       76.93861 453.8684       
140.2210 228.9456       92.02937 45.84813 7.284716 31.99751 7.041022 13.85062 
10.13129 
1 1 1 13  22  26 o 99.65257 3.541792  1953.325       121.9847 2413.797       
274.7146 1840.234       136.1427 106.0165 6.172051 93.28867 3.476054 12.72778 
7.083585 
1 1 1 13  22  27 o 46.15739 4.901893  418.1800       81.95235 553.4479       
174.4446 379.8711       92.83459 50.17353 8.281403 42.14124 5.247151 8.032288 
9.803786 
1 1 1 13  22  28 o 80.94493 4.415443  1257.020       133.7805 1797.357       
273.6522 1087.327       153.3553 90.66814 7.188949 71.22173 5.128700 19.44641 
8.830886 
1 1 1 13  22  29 o 39.46696 7.410482  361.9071       112.6227 387.8486       
228.7903 353.6108       129.3841 39.73869 12.38901 39.19525 8.134706 0.5434380 
14.82096 
1 1 1 13  22  30 o 81.64156 4.823505  1529.011       137.8823 1360.503       
278.8752 1583.531       158.6273 77.35938 8.586536 85.92375 4.397296 -8.564377 
9.647011 
1 1 1 13  22  31 o 63.07256 5.580409  901.8381       127.9007 903.5569       
252.3272 901.2439       148.3742 61.88583 9.711669 64.25930 5.499757 -2.373474 
11.16082 
1 1 1 13  22  32 o 79.01837 4.785143  1454.302       138.5368 1282.608       
260.8455 1521.761       163.5029 74.27413 8.365016 83.76262 4.649395 -9.488487 
9.570286 
1 1 1 13  22  33 o 29.96878 7.658024  204.3972       106.6843 241.8277       
240.7792 195.2539       119.0032 31.63383 12.42537 28.30373 8.954965 3.330099 
15.31605 
1 1 1 13  22  34 o 26.84702 7.446836  147.9866       105.5894 186.1556       
233.7405 138.2006       118.3538 29.08078 11.94226 24.61325 8.899662 4.467539 
14.89367 
1 1 1 13  22  35 o 18.29323 6.148970  -97.27702      112.2348 -178.1887      
229.2463 -71.76933      128.7160 20.04570 9.599603 16.54077 7.686802 3.504929 
12.29794 
1 1 1 13  22  36 o 30.01133 6.342868  263.7660       115.6561 -162.7880      
233.2867 402.7731       133.1746 20.13218 9.651322 39.89048 8.232855 -19.75829 
12.68574 
1 1 1 13  22  37 o 38.74031 7.818760  359.6804       119.9284 737.0811       
249.5564 246.3488       136.7549 47.97137 12.32637 29.50926 9.622510 18.46211 
15.63752 
1 1 1 13  22  38 o 33.02479 7.553271  371.0715       120.5059 325.2521       
238.1732 386.8369       139.7077 29.36374 12.05612 36.68583 9.102612 -7.322094 
15.10654 
1 1 1 13  23  0  o 105.5905 2.040744  2217.531       74.89216 2581.457       
165.5605 2123.904       83.97507 110.6601 3.563584 100.5209 1.989825 10.13911 
4.081487 
1 1 1 13  23  1  o 50.86220 2.639890  526.7238       50.12924 586.2901       
98.63373 505.9791       58.20740 52.68870 4.458913 49.03569 2.827398 3.653004 
5.279781 
1 1 1 13  23  2  o 54.59782 2.734659  631.3156       53.21295 622.9890       
109.1379 633.9124       60.94848 54.29814 4.787531 54.89751 2.644425 
-0.5993652     5.469318 
1 1 1 13  23  3  o 80.24905 2.434363  1297.919       71.43079 1476.116       
145.8983 1241.738       81.92064 83.65565 4.154091 76.84246 2.539295 6.813194 
4.868726 
1 1 1 13  23  4  o 189.5363 2.958882  7464.866       189.1374 7767.146       
424.2775 7389.896       211.2939 191.6302 5.273598 187.4424 2.684974 4.187836 
5.917764 
1 1 1 13  23  5  o 143.0406 2.778069  3925.265       109.2223 4848.238       
328.3412 3810.426       115.8180 151.4283 5.164633 134.6530 2.048713 16.77531 
5.556137 
1 1 1 13  23  6  o 44.80767 3.433891  416.5331       56.16242 439.6274       
113.0199 408.9603       64.71865 45.54956 5.910057 44.06577 3.498236 1.483788 
6.867782 
1 1 1 13  23  7  o 79.16261 2.719549  1332.949       82.10965 1291.263       
150.8873 1350.487       97.86968 78.20797 4.595393 80.11725 2.909667 -1.909279 
5.439098 
1 1 1 13  23  8  o 36.77402 6.384253  253.0395       90.87047 442.6021       
176.5594 184.7327       105.9855 44.51816 9.715364 29.02988 8.285315 15.48828 
12.76851 
1 1 1 13  23  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  23  10 o 152.4526 4.622172  4931.979       263.0411 4942.096       
504.4221 4928.201       308.2744 152.1602 7.896128 152.7451 4.807190 
-0.5848846     9.244345 
1 1 1 13  23  11 o 110.9259 3.918859  2647.721       164.6347 2502.188       
303.8838 2708.184       195.8707 108.5277 6.669416 113.3241 4.116880 -4.796349 
7.837718 
1 1 1 13  23  12 o 102.6270 3.938773  2169.354       153.8924 2372.568       
291.9467 2091.162       181.0951 105.6970 6.579032 99.55702 4.332674 6.139992 
7.877545 
1 1 1 13  23  13 o 90.32549 3.810730  1783.096       139.0291 1469.250       
216.6579 2002.800       181.2737 83.23106 6.200265 97.41993 4.432084 -14.18887 
7.621460 
1 1 1 13  23  14 o 151.6105 4.740818  4768.863       269.9241 5142.442       
521.8141 4632.382       315.3996 155.1817 8.009333 148.0392 5.074642 7.142487 
9.481635 
1 1 1 13  23  15 o 76.64820 4.251189  1222.521       128.8229 1312.780       
227.2174 1179.764       156.3867 78.57921 6.887393 74.71719 4.985403 3.862015 
8.502378 
1 1 1 13  23  16 o 44.95425 6.204145  417.5287       105.3746 503.7295       
198.6410 383.7718       124.3066 47.43090 10.26546 42.47762 6.970360 4.953281 
12.40829 
1 1 1 13  23  17 o 70.16367 10.20317  1063.171       300.5565 0.000000       
0.000000 1063.171       300.5565 ?        ?        70.16367 10.20317 ? ? 
1 1 1 13  23  18 o 48.55490 6.993134  572.5831       122.1912 404.3696       
238.7769 632.2628       142.2248 42.52766 12.53376 54.58215 6.206487 -12.05449 
13.98627 
1 1 1 13  23  19 o 128.8338 3.596096  3511.733       194.3666 3523.623       
270.0224 3498.948       280.0008 129.0800 4.982667 128.5876 5.186584 0.4924469 
7.192192 
1 1 1 13  23  20 o 73.66065 3.604598  1168.543       98.17152 1105.958       
188.3796 1191.878       115.0259 72.13210 6.220515 75.18920 3.643856 -3.057098 
7.209195 
1 1 1 13  23  21 o 85.31357 3.427036  1620.509       113.6478 1308.403       
191.0327 1791.480       141.3899 78.47012 5.798617 92.15702 3.654358 -13.68690 
6.854072 
1 1 1 13  23  22 o 35.89969 6.321183  235.3056       82.21136 415.2932       
179.9741 187.8459       92.41678 42.76310 10.16102 29.03627 7.522174 13.72683 
12.64237 
1 1 1 13  23  23 o 71.61656 3.676347  1094.563       95.08654 1081.422       
191.0350 1098.891       109.6321 71.10041 6.399735 72.13271 3.620150 -1.032303 
7.352693 
1 1 1 13  23  24 o 164.3899 4.404056  5745.699       257.5280 5869.333       
532.5870 5707.970       294.2097 164.6656 7.703869 164.1142 4.270038 0.5513306 
8.808111 
1 1 1 13  23  25 f 58.93844 4.206867  770.2897       88.08789 693.9799       
176.4949 795.6040       101.6539 56.59219 7.428426 61.28469 3.950875 -4.692505 
8.413734 
1 1 1 13  23  26 o 20.47374 6.072379  6.541332       74.82161 94.01581       
158.9344 -18.36505      84.80716 25.50961 10.07113 15.43788 6.787306 10.07173 
12.14476 
1 1 1 13  23  27 o 27.04226 6.497606  117.1744       76.31112 251.4378       
165.1105 80.70339       86.05370 33.21040 10.55219 20.87412 7.584645 12.33628 
12.99521 
1 1 1 13  23  28 o 39.22094 7.087599  389.0217       114.0970 245.7759       
226.6758 437.6298       132.0439 33.74741 12.30517 44.69448 7.036969 -10.94707 
14.17520 
1 1 1 13  23  29 o 19.21821 6.309757  -78.47867      108.5806 -254.7396      
233.4825 -29.83956      122.6504 20.35551 9.733508 18.08091 8.031872 2.274601 
12.61951 
1 1 1 13  23  30 o 83.41225 4.798945  1425.622       139.9530 1765.149       
308.3669 1337.543       157.0605 88.06889 8.340004 78.75562 4.750140 9.313271 
9.597890 
1 1 1 13  23  31 o 47.09617 6.188351  548.8688       101.1818 468.6156       
201.8935 575.7865       116.9256 42.87133 11.12357 51.32102 5.426696 -8.449692 
12.37670 
1 1 1 13  23  32 o 39.84790 7.693338  331.7346       115.8420 614.3621       
247.9389 252.8098       131.0220 47.68340 12.30583 32.01240 9.236691 15.67100 
15.38668 
1 1 1 13  23  33 o 66.96217 6.296473  1195.181       135.7866 848.4249       
265.6217 1317.857       157.9906 56.37165 11.62052 77.55270 4.852388 -21.18104 
12.59295 
1 1 1 13  23  34 o 43.26225 7.211824  440.7017       115.3609 624.9787       
233.4589 381.1705       132.6928 47.23453 11.79550 39.28997 8.301073 7.944561 
14.42365 
1 1 1 13  23  35 o 44.63883 7.017166  548.0925       114.0661 478.4476       
234.1015 569.7748       130.6207 39.47991 12.56695 49.79775 6.247745 -10.31784 
14.03433 
1 1 1 13  23  36 o 28.94818 6.634725  243.5432       103.4926 55.62006       
201.2601 311.0981       120.6691 23.19611 10.29836 34.70024 8.367920 -11.50413 
13.26945 
1 1 1 13  23  37 o 27.02745 7.593163  194.1189       116.6655 264.8164       
232.6880 170.3788       134.8381 28.86666 11.89508 25.18825 9.440952 3.678404 
15.18633 
1 1 1 13  23  38 o 48.41718 6.987050  620.9771       118.1459 855.0170       
253.8123 556.2388       133.4898 49.60087 12.24585 47.23349 6.731613 2.367382 
13.97410 
1 1 1 13  24  0  o 121.5294 2.078372  3125.007       100.2167 3070.459       
171.9072 3153.089       123.3446 120.6490 3.393840 122.4098 2.400075 -1.760780 
4.156743 
1 1 1 13  24  1  o 126.6418 2.297423  3349.238       116.7700 3484.961       
198.2803 3277.173       144.4823 128.5173 3.674847 124.7663 2.758279 3.750908 
4.594846 
1 1 1 13  24  2  o 112.5546 2.372880  2591.275       100.6474 2847.936       
194.5251 2497.448       117.6140 116.1587 3.988823 108.9504 2.571290 7.208298 
4.745761 
1 1 1 13  24  3  o 129.3066 2.514868  3508.198       129.8132 3574.633       
221.8957 3473.630       160.0617 130.1548 4.060782 128.4584 2.967879 1.696442 
5.029737 
1 1 1 13  24  4  o 53.65155 3.134836  638.8311       64.96540 522.3677       
111.0331 699.4555       80.10909 49.67379 5.324101 57.62932 3.311001 -7.955528 
6.269671 
1 1 1 13  24  5  o 98.62011 2.493834  2002.913       96.35547 2176.346       
173.5161 1925.587       115.8617 101.5790 4.068710 95.66121 2.884861 5.917801 
4.987668 
1 1 1 13  24  6  o 24.15490 5.116316  86.48475       58.13229 228.3626       
104.8186 23.46121       69.86065 32.07410 7.839440 16.23570 6.576468 15.83840 
10.23263 
1 1 1 13  24  7  o 41.17492 3.792242  347.6987       62.40216 394.3539       
108.8358 324.8497       76.16493 43.12754 6.010880 39.22229 4.625335 3.905258 
7.584485 
1 1 1 13  24  8  o 31.57273 6.454736  200.4256       83.77985 272.3782       
157.5303 172.0473       98.93126 35.11428 10.12688 28.03119 8.006291 7.083090 
12.90947 
1 1 1 13  24  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  24  10 o 37.72315 6.446706  307.8173       91.61189 330.3971       
180.5239 299.9852       106.3196 38.49331 10.75805 36.95299 7.106647 1.540325 
12.89341 
1 1 1 13  24  11 o 149.6758 4.396053  4658.831       246.2691 4960.348       
477.3584 4549.477       287.4796 152.5699 7.452412 146.7817 4.665049 5.788208 
8.792106 
1 1 1 13  24  12 o 116.2136 4.310086  2866.273       194.0434 2857.332       
349.2996 2870.264       233.3649 115.8559 7.181265 116.5714 4.768311 
-0.7154694     8.620172 
1 1 1 13  24  13 o 27.17972 6.806927  112.3151       92.84643 223.9404       
167.7598 63.02618       111.4759 32.64616 10.65763 21.71328 8.470646 10.93288 
13.61385 
1 1 1 13  24  14 o 71.85612 4.087851  1090.661       117.0235 1104.234       
200.4570 1083.643       144.1337 72.09124 6.623077 71.62100 4.793427 0.4702377 
8.175701 
1 1 1 13  24  15 o 83.23586 4.220420  1496.315       136.7257 1393.641       
239.6518 1545.861       166.4778 80.91538 7.054572 85.55634 4.634738 -4.640953 
8.440841 
1 1 1 13  24  16 o 107.0369 4.227108  2464.514       179.0750 2322.227       
304.9828 2539.380       221.2256 104.4522 6.954708 109.6216 4.806848 -5.169411 
8.454215 
1 1 1 13  24  17 o 194.4921 5.540116  8139.292       430.9398 7906.381       
723.7062 8267.244       536.4063 191.7671 8.988956 197.2170 6.478440 -5.449966 
11.08023 
1 1 1 13  24  18 o 33.91042 6.951771  263.8622       121.5917 -5.133738      
208.2141 403.0704       149.7855 25.23989 10.86161 42.58094 8.679505 -17.34105 
13.90354 
1 1 1 13  24  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  24  20 o 52.24093 6.832023  722.3522       127.1379 361.4031       
231.4518 878.3279       152.1478 40.18360 12.44746 64.29826 5.636217 -24.11466 
13.66405 
1 1 1 13  24  21 o 66.30430 3.666477  905.2457       89.30394 991.9744       
179.4048 876.6768       102.9673 68.18074 6.267487 64.42786 3.806683 3.752884 
7.332954 
1 1 1 13  24  22 o 149.4491 3.720985  4670.891       192.7548 4891.185       
416.5221 4610.855       217.4390 151.1189 6.565085 147.7794 3.504651 3.339539 
7.441970 
1 1 1 13  24  23 o 100.9329 3.555726  2156.185       124.4966 2185.910       
266.5710 2147.892       140.7948 101.0040 6.286306 100.8618 3.324919 0.1421509 
7.111451 
1 1 1 13  24  24 o 29.03239 6.329376  175.8519       75.73551 200.7625       
156.6379 168.2515       86.52120 30.65502 10.29829 27.40976 7.361330 3.245268 
12.65875 
1 1 1 13  24  25 o 86.74159 3.536924  1510.962       107.3993 1779.824       
235.1174 1440.070       120.7311 90.97855 6.155550 82.50464 3.485475 8.473915 
7.073849 
1 1 1 13  24  26 o 83.45730 3.103512  1299.830       85.93152 1798.848       
209.3727 1198.744       94.23401 91.58910 5.444993 75.32550 2.979797 16.26360 
6.207024 
1 1 1 13  24  27 o 85.02943 3.505904  1621.516       107.1663 1403.157       
208.6718 1699.739       124.8950 80.48618 6.175379 89.57269 3.321165 -9.086517 
7.011808 
1 1 1 13  24  28 o 20.14650 6.482377  -46.43117      106.1431 -119.1582      
217.9475 -23.81837      121.5293 22.04487 10.15126 18.24813 8.064535 3.796749 
12.96475 
1 1 1 13  24  29 o 66.13234 5.499725  989.1182       125.0047 962.6326       
264.9174 996.7045       141.7814 64.30221 9.813088 67.96246 4.969024 -3.660255 
10.99945 
1 1 1 13  24  30 o 23.95239 6.782492  89.54746       94.35361 91.02428       
184.9447 89.02784       109.7043 25.70562 10.60071 22.19915 8.463666 3.506470 
13.56498 
1 1 1 13  24  31 o 32.97021 7.726360  241.2057       111.2805 356.0917       
225.0889 204.0423       128.0199 36.78113 12.34508 29.15929 9.294385 7.621841 
15.45272 
1 1 1 13  24  32 o 31.87347 7.582540  255.0666       112.5202 233.3680       
227.2429 262.1146       129.5114 31.25660 12.11446 32.49035 9.122474 -1.233744 
15.16508 
1 1 1 13  24  33 o 30.95527 7.371432  153.4006       110.4841 481.6476       
219.3311 41.78800       127.8958 41.48048 11.94493 20.43005 8.641215 21.05043 
14.74286 
1 1 1 13  24  34 o 70.73835 5.292966  1268.794       134.2901 960.4422       
244.7314 1401.638       160.6335 61.78603 9.434535 79.69067 4.801199 -17.90464 
10.58593 
1 1 1 13  24  35 o 21.40140 6.803965  11.13796       112.4619 58.65202       
224.4758 -4.784550      129.9464 24.33913 10.83590 18.46368 8.231593 5.875450 
13.60793 
1 1 1 13  24  36 o 28.77295 7.495366  237.3778       117.8728 174.6556       
230.9611 259.4686       137.0674 26.95351 11.51388 30.59240 9.599620 -3.638884 
14.99073 
1 1 1 13  24  37 f 29.34285 7.711389  266.4839       119.9329 294.6107       
233.9497 256.4569       139.6841 29.25966 11.97022 29.42604 9.725018 
-0.1663780     15.42278 
1 1 1 13  24  38 o 37.01440 7.515533  472.3779       123.0419 421.6769       
244.0555 489.6564       142.4735 31.82488 12.50669 42.20391 8.337601 -10.37903 
15.03107 
1 1 1 13  25  0  o 54.31874 2.374863  612.7252       47.34908 644.4191       
94.40998 602.0742       54.72980 55.16590 4.076320 53.47158 2.437934 1.694328 
4.749727 
1 1 1 13  25  1  o 31.90435 4.074708  166.7218       47.37436 365.0961       
101.5319 111.5140       53.56240 41.36650 5.846213 22.44220 5.677569 18.92430 
8.149417 
1 1 1 13  25  2  o 60.94524 2.866567  795.6093       62.51443 765.3875       
126.5651 805.3618       71.89690 60.05391 5.019884 61.83657 2.769401 -1.782669 
5.733133 
1 1 1 13  25  3  o 115.1723 2.601790  2664.487       108.4965 3069.840       
225.4814 2542.358       123.7663 120.4517 4.458807 109.8929 2.682588 10.55884 
5.203579 
1 1 1 13  25  4  o 109.9151 2.549202  2466.991       104.3883 2725.572       
205.7324 2377.337       121.1406 113.5559 4.315329 106.2743 2.715079 7.281670 
5.098403 
1 1 1 13  25  5  o 133.4725 2.593152  3795.874       141.6746 3571.786       
223.3324 3946.780       183.2712 130.0667 4.089844 136.8784 3.189190 -6.811661 
5.186305 
1 1 1 13  25  6  o 105.9541 2.622988  2407.535       110.3725 2238.462       
186.1114 2499.258       137.0799 102.9535 4.305790 108.9547 2.996739 -6.001167 
5.245977 
1 1 1 13  25  7  o 108.2757 2.733196  2479.343       120.6691 2443.194       
194.7161 2501.883       153.7531 107.5718 4.311462 108.9796 3.360468 -1.407768 
5.466393 
1 1 1 13  25  8  o 64.76038 4.122422  887.7677       100.8865 893.4036       
189.9229 885.5521       119.0755 64.75891 6.985520 64.76186 4.379495 
-0.2944946E-02 8.244844 
1 1 1 13  25  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  25  10 o 70.93706 3.850155  970.7830       103.2133 1289.497       
205.7271 863.5778       119.3160 77.92131 6.288633 63.95280 4.443858 13.96851 
7.700310 
1 1 1 13  25  11 f 91.39175 4.164054  1735.470       136.1520 1840.557       
282.3650 1703.636       155.4123 92.92114 7.237980 89.86237 4.119349 3.058769 
8.328109 
1 1 1 13  25  12 o 91.83662 4.383389  1739.697       141.4667 1885.158       
302.4643 1698.967       160.0519 93.94935 7.668340 89.72389 4.248875 4.225456 
8.766777 
1 1 1 13  25  13 o 76.31043 4.096509  1209.017       122.0416 1304.588       
220.7594 1166.954       146.4565 78.30644 6.714948 74.31442 4.694145 3.992020 
8.193017 
1 1 1 13  25  14 o 95.19284 4.181719  1916.206       149.7124 1936.918       
284.3359 1908.262       176.1003 95.32415 7.104766 95.06153 4.412415 0.2626190 
8.363439 
1 1 1 13  25  15 o 95.92909 4.079028  1906.031       145.4898 2051.746       
285.7148 1855.021       169.0484 98.12485 6.935452 93.73335 4.295739 4.391502 
8.158056 
1 1 1 13  25  16 o 79.13879 4.632123  1299.254       140.0275 1416.020       
263.7580 1253.427       165.2363 81.33601 7.724028 76.94156 5.115234 4.394455 
9.264245 
1 1 1 13  25  17 o 80.44455 4.679807  1380.187       142.5487 1377.048       
266.6863 1381.442       168.6653 80.11583 7.928728 80.77327 4.973697 
-0.6574402     9.359614 
1 1 1 13  25  18 o 28.95808 7.221658  167.1472       110.1558 49.77533       
203.1795 216.0098       131.0950 26.59499 11.04919 31.32116 9.301870 -4.726166 
14.44332 
1 1 1 13  25  19 o 42.36944 6.754856  283.6797       120.8044 757.0426       
234.0222 111.7192       141.0504 58.98920 9.449431 25.74969 9.655079 33.23951 
13.50971 
1 1 1 13  25  20 o 110.2543 4.817843  2630.133       202.8284 2540.589       
370.7340 2668.384       242.3083 108.4229 8.144466 112.0858 5.149188 -3.662926 
9.635687 
1 1 1 13  25  21 o 86.47050 7.644823  1614.406       277.5328 1614.406       
277.5328 0.000000       0.000000 86.47050 7.644823 ?        ?        ? ? 
1 1 1 13  25  22 o 86.31361 4.726833  1658.370       153.8862 1464.236       
279.6854 1742.658       184.2893 82.08228 8.115990 90.54495 4.847938 -8.462677 
9.453666 
1 1 1 13  25  23 o 84.53737 3.486936  1535.960       106.1023 1492.647       
213.2354 1550.212       122.3199 83.42797 6.087917 85.64676 3.401787 -2.218788 
6.973872 
1 1 1 13  25  24 o 72.14249 3.587638  1028.341       92.03491 1270.448       
199.0208 962.4830       103.8006 76.86243 6.167447 67.42255 3.667040 9.439888 
7.175276 
1 1 1 13  25  25 o 27.13001 5.816560  52.29119       73.46024 364.8986       
158.7131 -32.93684      82.87137 39.64848 9.619163 14.61154 6.542261 25.03694 
11.63312 
1 1 1 13  25  26 o 68.69506 3.266814  965.4382       85.39812 1109.479       
163.7068 911.5874       100.0965 71.84380 5.427485 65.54633 3.637404 6.297470 
6.533628 
1 1 1 13  25  27 o 23.60290 6.436628  101.2993       70.99738 -29.22337      
218.5462 116.6993       75.06902 24.23516 10.74913 22.97064 7.083572 1.264524 
12.87326 
1 1 1 13  25  28 o 78.92227 4.635478  1431.211       125.0556 1251.828       
260.4179 1484.975       142.5698 74.48137 8.328067 83.36317 4.073564 -8.881798 
9.270956 
1 1 1 13  25  29 o 43.04051 7.000202  454.7123       112.9358 413.4079       
225.5482 468.5332       130.4695 40.12132 12.25934 45.95971 6.761650 -5.838383 
14.00040 
1 1 1 13  25  30 o 20.27693 6.544667  -80.78947      108.7201 42.35571       
210.1277 -125.8071      127.0475 25.04669 10.84637 15.50717 7.327129 9.539518 
13.08933 
1 1 1 13  25  31 o 72.53695 4.853721  1151.800       134.5265 1282.366       
252.7163 1100.172       158.9129 74.30320 8.101151 70.77070 5.348436 3.532501 
9.707442 
1 1 1 13  25  32 o 30.69029 7.225475  122.3511       109.0851 497.1875       
219.5547 -0.5086735     125.6976 42.57175 11.85321 18.80883 8.266277 23.76292 
14.45095 
1 1 1 13  25  33 o 38.31313 6.793521  345.8425       99.84962 471.1368       
193.0569 300.0868       116.6655 41.70545 10.90373 34.92081 8.106559 6.784641 
13.58704 
1 1 1 13  25  34 f 21.05000 6.723270  -3.496705      112.7203 35.81439       
218.6035 -17.73440      131.5587 23.83874 10.65089 18.26125 8.207802 5.577492 
13.44654 
1 1 1 13  25  35 o 20.98423 6.758050  -42.76272      112.5173 138.7442       
225.2556 -103.1069      129.8813 26.28836 11.30474 15.68010 7.408630 10.60825 
13.51610 
1 1 1 13  25  36 o 28.99658 6.827951  258.2908       110.8371 27.53440       
234.4014 324.7434       125.7880 23.09147 10.58870 34.90169 8.623404 -11.81021 
13.65590 
1 1 1 13  25  37 o 49.85408 5.974229  632.3483       108.7237 752.1047       
208.9294 587.8748       127.3213 50.27831 10.25301 49.42985 6.135258 0.8484612 
11.94846 
1 1 1 13  26  0  o 69.34971 2.224627  1030.974       63.31962 934.4926       
97.84497 1100.495       83.05637 66.46452 3.506467 72.23490 2.738715 -5.770386 
4.449255 
1 1 1 13  26  1  o 78.44897 2.082451  1201.180       57.16229 1478.776       
126.6263 1130.132       64.06110 83.61649 3.607058 73.28145 2.082195 10.33504 
4.164901 
1 1 1 13  26  2  o 123.4709 2.303489  3257.866       95.85014 3152.382       
211.2891 3285.199       107.5538 121.9842 4.125672 124.9577 2.050143 -2.973495 
4.606979 
1 1 1 13  26  3  o 64.09587 2.583749  852.3335       60.52535 900.6674       
121.5940 836.4133       69.78502 65.17928 4.443485 63.01247 2.637891 2.166809 
5.167497 
1 1 1 13  26  4  o 91.21875 2.850491  1799.096       92.12608 1686.400       
187.8844 1834.768       105.7056 89.10611 5.022319 93.33140 2.697685 -4.225288 
5.700982 
1 1 1 13  26  5  o 99.82362 2.899454  2018.697       107.4695 2298.470       
214.2684 1924.658       124.2249 104.0942 4.902896 95.55306 3.096601 8.541107 
5.798908 
1 1 1 13  26  6  o 52.73639 4.014995  648.9265       73.46789 486.7581       
144.4194 705.5464       85.33484 47.64509 7.219853 57.82769 3.514889 -10.18260 
8.029989 
1 1 1 13  26  7  o 66.32384 3.277488  868.9975       77.04301 1049.924       
166.8203 819.9456       86.86118 70.28362 5.653481 62.36406 3.317511 7.919559 
6.554977 
1 1 1 13  26  8  o 58.90062 4.362776  782.9181       99.13961 612.5812       
166.9629 875.6811       123.2121 53.46560 7.438180 64.33563 4.561658 -10.87003 
8.725552 
1 1 1 13  26  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  26  10 o 87.70943 3.983191  1653.830       127.0321 1591.470       
250.9958 1675.304       147.2891 86.33134 6.924988 89.08751 3.937992 -2.756172 
7.966382 
1 1 1 13  26  11 o 119.7815 4.652112  2983.449       192.2880 3191.762       
420.0494 2928.223       216.2803 121.8557 8.210611 117.7073 4.376579 4.148438 
9.304224 
1 1 1 13  26  12 o 118.7106 4.374702  2849.049       183.8470 3283.137       
394.3699 2728.517       207.8095 123.7961 7.587835 113.6251 4.356243 10.17098 
8.749405 
1 1 1 13  26  13 o 81.92386 4.650551  1534.685       145.6759 1141.735       
244.8316 1750.045       181.2515 72.91122 7.998238 90.93649 4.747494 -18.02528 
9.301103 
1 1 1 13  26  14 o 137.4195 4.659638  4029.299       257.0533 4022.519       
431.4248 4033.030       320.0704 137.0086 7.500297 137.8304 5.531228 
-0.8218384     9.319277 
1 1 1 13  26  15 o 21.87627 6.682555  -4.086180      109.7505 -138.1049      
205.8884 49.11150       129.7166 21.58722 9.909334 22.16533 8.968348 
-0.5781174     13.36511 
1 1 1 13  26  16 o 95.35451 4.427990  1930.336       155.4715 1955.830       
305.1884 1921.402       180.6730 95.42477 7.617771 95.28425 4.516408 0.1405258 
8.855980 
1 1 1 13  26  17 o 98.59366 4.678207  2156.009       184.2214 1779.768       
294.5874 2397.638       236.0779 90.94146 7.715664 106.2459 5.292543 -15.30440 
9.356414 
1 1 1 13  26  18 o 83.62202 4.650693  1437.938       148.9234 1641.188       
281.9737 1359.312       175.3787 87.26391 7.696532 79.98015 5.222949 7.283760 
9.301387 
1 1 1 13  26  19 o 53.66686 6.307663  652.1529       123.6192 603.8914       
229.1845 671.9554       146.8062 51.28061 10.96495 56.05312 6.238290 -4.772511 
12.61533 
1 1 1 13  26  20 o 109.5235 4.812149  2562.402       193.5290 2612.195       
381.5370 2545.153       224.5616 109.6125 8.290823 109.4345 4.887673 0.1779633 
9.624297 
1 1 1 13  26  21 f 41.21310 7.497595  380.1050       119.1997 411.2576       
233.2471 369.0930       138.6762 41.98983 12.39176 40.43636 8.443928 1.553478 
14.99519 
1 1 1 13  26  22 o 111.4215 4.911660  2643.916       229.7610 0.000000       
0.000000 2643.916       229.7610 ?        ?        111.4215 4.911660 ? ? 
1 1 1 13  26  23 o 69.10723 8.743479  1052.820       253.6803 1052.820       
253.6803 0.000000       0.000000 69.10723 8.743479 ?        ?        ? ? 
1 1 1 13  26  24 o 154.9908 4.961117  5139.585       288.2041 5411.367       
553.8628 5038.672       337.4947 156.5736 8.425677 153.4081 5.240102 3.165482 
9.922234 
1 1 1 13  26  25 o 61.81136 3.869808  827.3192       86.09496 809.8047       
173.0062 833.0843       99.25829 60.98782 6.756776 62.63490 3.774605 -1.647079 
7.739617 
1 1 1 13  26  26 o 41.57599 5.221064  347.4853       77.99902 475.2272       
161.6865 308.7410       89.04545 45.34748 8.806934 37.80450 5.610342 7.542980 
10.44213 
1 1 1 13  26  27 o 32.17073 7.149921  254.0433       105.9329 144.7871       
212.4301 290.2048       122.2127 29.09137 11.59326 35.25008 8.371486 -6.158714 
14.29984 
1 1 1 13  26  28 o 78.51847 4.674213  1418.704       139.7492 1210.323       
245.9970 1518.001       169.8120 73.16372 8.008572 83.87322 4.822433 -10.70950 
9.348426 
1 1 1 13  26  29 o 28.38001 7.408017  152.3589       105.4422 252.0225       
206.4358 117.1796       122.6479 32.53999 11.75491 24.22003 9.018703 8.319965 
14.81603 
1 1 1 13  26  30 o 25.26320 6.646746  130.2298       101.4419 -12.81717      
178.2431 198.7590       123.3705 21.75854 9.672272 28.76787 9.119435 -7.009335 
13.29349 
1 1 1 13  26  31 o 31.00233 7.405910  212.2815       99.16805 314.5117       
213.6274 184.2006       111.9626 34.38946 12.00328 27.61519 8.678204 6.774273 
14.81182 
1 1 1 13  26  32 o 67.86935 4.986328  1019.454       128.4143 1166.572       
244.9733 963.7110       150.7923 69.89012 8.348799 65.84857 5.454488 4.041550 
9.972656 
1 1 1 13  26  33 o 29.24976 7.379508  227.1137       114.3134 121.6874       
231.5378 261.0948       131.4515 26.73034 11.47688 31.76918 9.279533 -5.038834 
14.75902 
1 1 1 13  26  34 o 50.63897 6.778927  670.0871       124.9658 653.7494       
236.2333 676.4354       147.2566 47.28415 11.90026 53.99379 6.496088 -6.709641 
13.55785 
1 1 1 13  26  35 o 20.99543 6.693102  20.57276       113.1777 1.356748       
223.7894 27.17658       131.1916 22.57849 10.35044 19.41236 8.488748 3.166126 
13.38620 
1 1 1 13  26  36 o 21.96604 6.290820  83.15042       108.8181 -306.5384      
232.7742 192.1297       123.0971 17.56168 8.666875 26.37039 9.120468 -8.808706 
12.58164 
1 1 1 13  26  37 o 58.53622 5.274405  849.9519       115.7987 961.7288       
220.9647 807.6307       135.9647 58.63798 8.975631 58.43447 5.542149 0.2035103 
10.54881 
1 1 1 13  27  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  27  1  o 113.2498 2.069749  2718.490       90.42609 2683.298       
163.6675 2733.952       108.4878 112.5842 3.462630 113.9154 2.268399 -1.331238 
4.139498 
1 1 1 13  27  2  o 83.17130 2.164934  1427.441       66.27617 1531.087       
132.1912 1392.639       76.59900 85.02496 3.703201 81.31763 2.243673 3.707336 
4.329869 
1 1 1 13  27  3  o 116.2379 2.419696  2788.233       90.95666 2964.815       
216.5717 2750.417       100.2242 118.1615 4.365628 114.3143 2.088302 3.847198 
4.839392 
1 1 1 13  27  4  o 50.27602 2.904428  525.0374       54.63416 559.3672       
105.9902 512.6152       63.75710 51.26848 4.924207 49.28355 3.081397 1.984928 
5.808857 
1 1 1 13  27  5  o 193.3256 2.809624  7803.723       196.9594 8130.756       
398.9048 7698.293       226.4932 195.5613 4.858559 191.0898 2.823181 4.471466 
5.619247 
1 1 1 13  27  6  o 35.26299 4.256346  273.7674       55.88166 262.5757       
101.7855 278.5963       66.85902 34.27517 7.291589 36.25080 4.393023 -1.975628 
8.512691 
1 1 1 13  27  7  o 74.08446 2.696799  1131.478       73.37609 1220.489       
147.0181 1101.950       84.67642 75.85404 4.616504 72.31487 2.789048 3.539177 
5.393598 
1 1 1 13  27  8  o 44.55015 5.214950  446.6517       91.13919 382.4201       
144.8683 488.7266       117.2494 41.23327 8.645387 47.86703 5.834389 -6.633762 
10.42990 
1 1 1 13  27  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  27  10 o 70.91095 4.285824  1069.411       117.5880 1082.129       
212.7655 1063.818       141.0937 70.99066 7.138732 70.83125 4.744646 0.1594162 
8.571649 
1 1 1 13  27  11 o 89.82967 3.842044  1633.574       131.6466 1915.688       
252.4967 1528.256       154.2749 94.68645 6.351686 84.97289 4.324500 9.713570 
7.684088 
1 1 1 13  27  12 o 24.61504 6.555915  97.59290       97.07218 -74.05840      
185.3042 162.5134       113.9601 21.70248 9.748382 27.52761 8.768646 -5.825129 
13.11183 
1 1 1 13  27  13 o 158.5549 4.878626  5307.244       291.5116 5578.763       
556.2918 5204.459       342.2694 160.5979 8.250567 156.5119 5.208849 4.086029 
9.757253 
1 1 1 13  27  14 o 28.35746 7.329050  109.6012       107.4433 258.4217       
200.7627 49.86897       127.1908 34.74474 11.65892 21.97017 8.884221 12.77457 
14.65810 
1 1 1 13  27  15 o 91.05659 4.400042  1722.518       151.6793 1888.053       
290.2522 1660.330       177.9038 93.65173 7.382115 88.46145 4.790184 5.190277 
8.800084 
1 1 1 13  27  16 o 55.18697 5.731196  703.3112       118.9145 564.0817       
199.3462 780.2225       148.1623 49.90611 9.865321 60.46783 5.836257 -10.56172 
11.46239 
1 1 1 13  27  17 o 71.52974 4.613842  1091.898       126.5215 1110.365       
232.7574 1084.152       150.7357 71.65001 7.737635 71.40947 5.027839 0.2405396 
9.227684 
1 1 1 13  27  18 o 39.18312 7.429095  325.9807       110.5742 406.6987       
228.8923 301.4093       126.2876 41.84185 12.25249 36.52438 8.404895 5.317474 
14.85819 
1 1 1 13  27  19 o 26.87226 7.299011  78.42398       106.3957 223.6926       
207.0010 26.26791       124.0335 33.09712 11.78929 20.64739 8.608994 12.44973 
14.59802 
1 1 1 13  27  20 o 84.08253 4.591309  1531.932       148.0101 1493.536       
269.1623 1548.575       177.2076 82.89241 7.734291 85.27264 4.949869 -2.380234 
9.182617 
1 1 1 13  27  21 o 103.6253 4.918300  2483.239       194.1657 1881.439       
329.4521 2803.518       240.3424 92.58762 8.475406 114.6631 4.992614 -22.07543 
9.836599 
1 1 1 13  27  22 o 97.84984 4.409043  2098.678       162.5412 1979.952       
301.4858 2147.328       192.9913 95.27889 7.536874 100.4208 4.577571 -5.141891 
8.818086 
1 1 1 13  27  23 o 21.79058 6.735025  -49.86390      104.6484 95.89236       
204.4565 -101.6032      121.8141 27.58658 11.22211 15.99458 7.450272 11.59201 
13.47005 
1 1 1 13  27  24 o 74.62383 4.880741  1192.209       152.9122 0.000000       
0.000000 1192.209       152.9122 ?        ?        74.62383 4.880741 ? ? 
1 1 1 13  27  25 o 108.1871 4.380349  2513.483       197.1360 2090.461       
264.3757 3043.251       295.8578 97.91499 6.431221 118.4591 5.948885 -20.54415 
8.760698 
1 1 1 13  27  26 o 33.45707 6.859124  259.3356       100.3331 304.1474       
159.5603 230.0291       129.0359 35.58757 10.16884 31.32658 9.207880 4.260990 
13.71825 
1 1 1 13  27  27 f 49.38020 6.407624  634.0541       112.9706 427.5218       
207.5040 721.0583       134.6798 41.20811 11.53958 57.55230 5.573922 -16.34419 
12.81525 
1 1 1 13  27  28 o 56.33097 5.933373  793.0849       115.7280 608.5267       
215.5917 867.7908       137.1649 49.48745 10.68057 63.17449 5.171569 -13.68704 
11.86675 
1 1 1 13  27  29 o 50.44266 6.158990  542.2968       112.1721 740.7566       
229.5410 480.0341       128.5695 54.57007 10.39296 46.31525 6.612031 8.254818 
12.31798 
1 1 1 13  27  30 f 67.42626 5.366554  1042.849       135.7874 1054.522       
255.3777 1038.248       160.3298 66.30488 9.173995 68.54765 5.571124 -2.242767 
10.73311 
1 1 1 13  27  31 o 17.31847 5.875425  -143.7750      107.0875 -154.0507      
207.8341 -140.0608      124.9509 19.81255 9.366167 14.82439 7.096295 4.988156 
11.75085 
1 1 1 13  27  32 o 36.39014 6.815099  384.3924       115.3102 167.7048       
220.2530 466.2092       135.3400 28.05398 11.56868 44.72631 7.207492 -16.67232 
13.63020 
1 1 1 13  27  33 o 21.31057 6.780738  -33.15807      111.7274 135.7979       
218.9384 -92.65083      129.9173 26.56020 11.27358 16.06095 7.537903 10.49925 
13.56148 
1 1 1 13  27  34 o 28.41919 7.517126  215.6480       114.9408 189.9723       
228.8050 224.3146       132.9313 27.87961 11.66297 28.95877 9.487036 -1.079159 
15.03425 
1 1 1 13  27  35 o 27.96001 7.579937  213.6144       116.2683 239.9053       
227.4998 204.3198       135.2682 28.63859 11.77475 27.28142 9.548666 1.357168 
15.15987 
1 1 1 13  27  36 o 40.21683 7.461724  534.8638       130.0875 438.3601       
252.6715 569.6699       151.7443 33.30560 12.80202 47.12806 7.669268 -13.82246 
14.92345 
1 1 1 13  27  37 o 17.11916 5.738584  -82.59161      114.5546 -254.8846      
198.1332 3.922388       140.3998 16.11019 7.961466 18.12814 8.266828 -2.017950 
11.47717 
1 1 1 13  28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  28  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  28  2  o 104.2067 2.901423  2266.981       112.9469 2406.917       
219.3543 2216.494       131.7554 106.0448 4.926945 102.3686 3.065653 3.676262 
5.802845 
1 1 1 13  28  3  o 35.40583 3.533081  264.6127       48.98776 277.5522       
87.45483 258.6963       59.13599 35.91675 5.799731 34.89492 4.036554 1.021828 
7.066162 
1 1 1 13  28  4  o 30.76250 4.344298  205.3914       50.24189 213.3048       
94.02512 202.2289       59.43912 30.71080 7.374406 30.81420 4.594546 
-0.1034012     8.688597 
1 1 1 13  28  5  f 22.32143 4.693614  48.39758       48.20412 229.2302       
99.90143 -6.481369      55.03465 31.84295 7.573017 12.79992 5.547023 19.04303 
9.387228 
1 1 1 13  28  6  o 36.27110 4.271692  304.4550       52.93061 255.0804       
106.1087 320.8111       61.07161 33.61701 7.682697 38.92519 3.737056 -5.308186 
8.543385 
1 1 1 13  28  7  o 43.48153 3.605794  393.9185       57.38218 421.7797       
115.2305 384.7312       66.17024 44.32434 6.192221 42.63871 3.696406 1.685623 
7.211589 
1 1 1 13  28  8  o 104.5220 3.864089  2345.419       159.0368 2293.832       
276.1393 2371.023       194.5406 103.3447 6.364454 105.6993 4.383886 -2.354591 
7.728178 
1 1 1 13  28  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  28  10 o 73.55200 3.865088  1163.914       107.9461 1130.925       
199.6073 1177.550       128.3306 72.54980 6.553319 74.55420 4.099955 -2.004402 
7.730176 
1 1 1 13  28  11 o 52.49551 4.852098  580.1955       97.23784 625.1754       
182.6165 562.3960       114.8774 53.62448 8.111439 51.36655 5.326910 2.257931 
9.704195 
1 1 1 13  28  12 o 63.63148 4.044646  814.5964       103.2964 1040.707       
181.2956 705.9090       125.6945 69.69221 6.196180 57.57075 5.200386 12.12146 
8.089293 
1 1 1 13  28  13 o 133.6053 4.401363  3793.888       237.6590 3944.005       
396.6314 3709.801       296.8495 135.2949 6.982756 131.9156 5.359953 3.379211 
8.802726 
1 1 1 13  28  14 o 62.54573 4.575373  869.3677       115.3324 704.5762       
179.0856 986.1485       150.7574 57.06821 7.474592 68.02325 5.278885 -10.95504 
9.150746 
1 1 1 13  28  15 o 77.24725 4.154902  1278.897       125.9432 1270.145       
220.9651 1283.108       153.2778 76.78845 6.854074 77.70604 4.698351 
-0.9175873     8.309803 
1 1 1 13  28  16 o 61.58218 5.068093  844.8066       123.9564 730.6888       
203.6034 912.0160       156.2514 57.85189 8.382789 65.31248 5.698343 -7.460598 
10.13619 
1 1 1 13  28  17 o 170.3839 4.700130  6294.351       333.0953 5877.866       
495.4875 6637.778       449.9358 164.8608 7.158737 175.9070 6.092402 -11.04620 
9.400260 
1 1 1 13  28  18 o 38.70583 6.523677  370.0947       108.8374 190.4585       
182.2496 469.6717       135.6904 30.79581 11.05276 46.61585 6.933246 -15.82004 
13.04735 
1 1 1 13  28  19 o 40.78085 6.888761  370.0581       106.7718 412.3698       
204.9494 354.2967       125.0875 41.86577 11.36850 39.69592 7.783146 2.169849 
13.77752 
1 1 1 13  28  20 o 32.20454 6.352355  253.5984       105.2181 -6.687593      
183.3689 381.3663       128.4728 23.21823 10.09448 41.19085 7.714340 -17.97262 
12.70471 
1 1 1 13  28  21 o 33.40380 6.716164  277.0944       110.8119 48.18001       
195.8676 384.8544       134.3863 25.58485 10.75126 41.22276 8.052191 -15.63791 
13.43233 
1 1 1 13  28  22 o 40.47795 6.935387  370.5984       106.4784 407.9794       
207.1583 357.1768       124.1307 41.23820 11.52411 39.71770 7.719666 1.520500 
13.87077 
1 1 1 13  28  23 o 45.58997 6.458905  501.7100       113.2570 402.0282       
195.8573 551.7878       138.8208 40.85768 11.12182 50.32227 6.570757 -9.464588 
12.91781 
1 1 1 13  28  24 o 29.65780 7.329250  186.8233       105.2349 200.8018       
195.6950 181.1367       124.8183 30.95518 11.41887 28.36042 9.191361 2.594769 
14.65850 
1 1 1 13  28  25 o 57.90854 5.395430  752.0782       120.8047 736.6915       
215.6230 759.1176       145.8435 56.77829 9.045527 59.03879 5.883972 -2.260502 
10.79086 
1 1 1 13  28  26 o 18.68873 8.250607  -18.10536      126.7513 0.000000       
0.000000 -18.10536      126.7513 ?        ?        18.68873 8.250607 ? ? 
1 1 1 13  28  27 o 53.83821 8.246774  700.4995       168.3041 806.6294       
318.9865 659.5567       198.1261 54.35389 13.91803 53.32253 8.850180 1.031364 
16.49355 
1 1 1 13  28  28 o 66.17664 5.580033  1010.171       153.9194 905.9876       
221.4039 1107.620       214.1282 62.44629 8.445002 69.90699 7.295823 -7.460697 
11.16007 
1 1 1 13  28  29 o 31.19240 5.523277  246.7137       108.1319 -268.2726      
204.1988 447.3985       127.4714 17.91232 8.684222 44.47247 6.827198 -26.56014 
11.04655 
1 1 1 13  28  30 o 22.52699 6.869648  47.91498       107.2862 39.40570       
209.6129 50.93544       124.8841 24.31896 10.68138 20.73503 8.641547 3.583931 
13.73930 
1 1 1 13  28  31 o 35.94605 7.025969  349.9162       103.2759 289.6388       
212.9270 368.4588       118.0974 32.63464 11.92354 39.25746 7.435465 -6.622818 
14.05194 
1 1 1 13  28  32 o 22.29963 6.660328  70.22759       104.3568 47.51065       
177.5910 82.20901       128.9734 22.68919 9.899428 21.91007 8.912978 0.7791252 
13.32066 
1 1 1 13  28  33 o 31.81716 7.084953  301.4869       119.8833 82.75806       
226.5975 386.5070       141.2742 25.00015 11.03495 38.63416 8.889102 -13.63401 
14.16991 
1 1 1 13  28  34 o 28.63162 7.631267  218.1100       114.7121 262.2766       
229.0706 203.3271       132.5263 29.77522 11.97123 27.48802 9.467547 2.287201 
15.26253 
1 1 1 13  28  35 o 25.87734 7.235962  181.8024       109.4451 159.1060       
227.7201 188.6197       124.8044 25.63293 11.19659 26.12175 9.169135 
-0.4888153     14.47192 
1 1 1 13  28  36 o 20.58204 6.412522  53.02609       116.5919 -214.7978      
235.0924 140.3861       134.2673 18.18611 8.940053 22.97796 9.195500 -4.791845 
12.82504 
1 1 1 13  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  29  2  f 51.53537 3.156427  525.3459       61.34646 670.8814       
121.8084 475.8866       71.00951 55.76581 5.202716 47.30492 3.575455 8.460892 
6.312854 
1 1 1 13  29  3  o 29.67713 4.979939  200.3705       57.23102 183.5014       
109.5657 206.7002       67.11469 28.35900 8.520497 30.99527 5.157547 -2.636276 
9.959878 
1 1 1 13  29  4  o 19.14216 5.251610  52.63735       51.90723 67.29817       
111.4284 48.57421       58.66074 21.48046 8.447819 16.80386 6.241152 4.676600 
10.50322 
1 1 1 13  29  5  o 35.99787 4.140215  279.5061       54.95245 294.0854       
103.4849 273.7805       64.85137 36.14933 7.070820 35.84641 4.309180 0.3029213 
8.280431 
1 1 1 13  29  6  o 59.64730 2.923173  722.8018       68.37130 851.2025       
124.8018 667.7397       81.72677 63.14996 4.707269 56.14464 3.467185 7.005318 
5.846345 
1 1 1 13  29  7  o 90.32111 2.637672  1712.284       84.18987 1762.228       
176.4275 1697.557       95.80106 90.92497 4.621726 89.71724 2.543405 1.207733 
5.275344 
1 1 1 13  29  8  o 66.05564 3.861964  969.0287       100.5283 824.7556       
167.1123 1050.845       125.8449 61.79954 6.440864 70.31174 4.263134 -8.512196 
7.723927 
1 1 1 13  29  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  29  10 o 33.49274 6.369246  229.8197       83.71815 329.3310       
162.4368 193.8262       97.69244 37.69883 10.06918 29.28666 7.802611 8.412172 
12.73849 
1 1 1 13  29  11 o 65.52130 3.894136  885.1178       100.9798 1020.115       
180.1733 823.2930       121.9295 68.85300 6.232877 62.18959 4.669950 6.663410 
7.788273 
1 1 1 13  29  12 o 92.11741 4.011940  1850.291       147.4012 1707.545       
245.2902 1930.973       184.4117 88.97095 6.566787 95.26386 4.610854 -6.292908 
8.023881 
1 1 1 13  29  13 o 61.03608 4.885953  846.5458       117.5640 658.7805       
188.6744 965.7167       150.3110 54.85352 8.192749 67.21864 5.326256 -12.36512 
9.771906 
1 1 1 13  29  14 o 58.86385 4.677406  723.4973       110.1785 828.9755       
191.7489 671.5072       134.6208 61.75940 7.395216 55.96831 5.729161 5.791092 
9.354813 
1 1 1 13  29  15 o 18.86435 5.924725  -41.85539      95.30827 -121.9760      
151.8885 10.17988       122.4057 17.94003 8.342090 19.78866 8.415403 -1.848629 
11.84945 
1 1 1 13  29  16 o 97.30318 3.978982  2072.027       157.4682 1831.998       
246.9847 2236.417       204.3983 92.16473 6.383022 102.4416 4.752497 -10.27689 
7.957964 
1 1 1 13  29  17 o 26.06400 7.105310  69.33826       102.9017 221.5736       
196.1737 11.55139       120.8642 32.42614 11.48420 19.70185 8.369884 12.72429 
14.21062 
1 1 1 13  29  18 o 89.73425 4.428648  1745.219       158.1897 1715.978       
268.8629 1760.701       195.6352 88.75010 7.215775 90.71841 5.136564 -1.968307 
8.857297 
1 1 1 13  29  19 o 85.68553 4.515912  1653.597       151.9834 1380.576       
252.1697 1809.349       190.4635 79.38084 7.566556 91.99022 4.931639 -12.60938 
9.031823 
1 1 1 13  29  20 o 113.5255 4.687479  2815.538       207.7148 2762.928       
366.0887 2840.515       252.2496 111.9956 7.785853 115.0553 5.222099 -3.059616 
9.374957 
1 1 1 13  29  21 o 95.64542 4.306955  1993.695       160.5213 1951.378       
283.7091 2013.620       194.6785 94.31680 7.164821 96.97403 4.781713 -2.657234 
8.613910 
1 1 1 13  29  22 o 25.57698 7.030025  55.44305       103.9873 236.7357       
194.1591 -17.47596      123.1369 32.54268 11.43520 18.61129 8.180540 13.93138 
14.06005 
1 1 1 13  29  23 o 42.74100 6.761745  444.2952       111.1196 378.9841       
207.1376 470.6851       131.6692 39.21780 11.70176 46.26421 6.778913 -7.046410 
13.52349 
1 1 1 13  29  24 o 64.61760 5.096605  998.7405       124.9510 717.0155       
207.7105 1158.507       156.4186 56.01498 8.832330 73.22021 5.088367 -17.20522 
10.19321 
1 1 1 13  29  25 o 28.50797 7.405261  165.7697       107.3466 200.9424       
204.3546 152.3657       126.1535 30.63164 11.58856 26.38431 9.222620 4.247326 
14.81052 
1 1 1 13  29  26 o 62.44781 6.248621  803.8331       144.7635 1148.534       
299.1068 698.3906       165.4297 69.09511 10.31098 55.80051 7.061491 13.29460 
12.49724 
1 1 1 13  29  27 o 51.37597 7.898832  735.4849       157.0138 504.3217       
288.5374 832.7356       187.1498 42.20584 13.97713 60.54611 7.362480 -18.34027 
15.79766 
1 1 1 13  29  28 o 76.24271 13.65271  1610.532       421.2050 0.000000       
0.000000 1610.532       421.2050 ?        ?        76.24271 13.65271 ? ? 
1 1 1 13  29  29 o 23.25033 7.128457  25.16326       136.9276 -266.3560      
263.1694 133.3767       160.3401 20.79080 10.03559 25.70986 10.12653 -4.919065 
14.25691 
1 1 1 13  29  30 o 53.44506 7.031027  747.7552       149.6574 594.3738       
227.6382 864.5168       198.6135 46.36200 11.68995 60.52813 7.815784 -14.16613 
14.06205 
1 1 1 13  29  31 o 56.60160 6.292484  790.8033       123.4820 797.6263       
245.4763 788.4919       142.8746 54.07020 11.19202 59.13300 5.755011 -5.062798 
12.58497 
1 1 1 13  29  32 o 29.15471 7.498170  198.9026       103.8026 310.5777       
218.4055 166.3159       117.9793 32.50704 12.04882 25.80238 8.928394 6.704666 
14.99634 
1 1 1 13  29  33 o 24.97070 6.589540  153.5950       106.1557 -116.3241      
223.6373 232.1021       120.6097 20.38015 9.672771 29.56124 8.951292 -9.181091 
13.17908 
1 1 1 13  29  34 o 35.81744 7.928193  341.2988       118.6148 566.2197       
238.8584 267.6777       136.6554 40.89555 12.64042 30.73933 9.573123 10.15622 
15.85639 
1 1 1 13  29  35 o 28.02094 7.572134  145.3382       106.5728 523.5740       
239.5305 51.98349       119.0002 36.99467 12.72952 19.04720 8.204160 17.94747 
15.14427 
1 1 1 13  29  36 o 20.25503 6.253915  69.79432       101.9777 -39.59622      
193.4463 111.8933       120.0070 19.18603 9.056622 21.32403 8.626901 -2.138004 
12.50783 
1 1 1 13  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  30  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  30  3  f 42.75126 4.361950  448.7453       65.25649 311.3994       
116.9336 510.8666       78.64146 36.59311 7.838291 48.90941 3.829836 -12.31630 
8.723901 
1 1 1 13  30  4  o 29.57510 5.341375  217.2052       65.70251 126.8360       
127.7473 249.7073       76.61201 25.19395 9.232616 33.95625 5.374007 -8.762291 
10.68275 
1 1 1 13  30  5  o 75.59511 3.179240  1176.463       91.23087 1338.332       
175.1777 1116.222       106.8672 78.72491 5.300146 72.46530 3.512653 6.259605 
6.358481 
1 1 1 13  30  6  o 68.51437 3.175351  952.0585       73.89192 1096.402       
167.6716 917.2686       82.31642 71.20468 5.608826 65.82405 2.978674 5.380630 
6.350703 
1 1 1 13  30  7  o 44.19645 3.677368  415.9486       62.26019 430.4044       
115.1369 409.9748       74.01497 44.52030 6.159955 43.87261 4.018345 0.6476898 
7.354736 
1 1 1 13  30  8  o 25.01162 6.174718  108.9745       75.34872 195.3642       
137.4917 71.89204       90.08021 29.54796 9.648395 20.47527 7.708246 9.072687 
12.34944 
1 1 1 13  30  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  30  10 o 42.23792 5.385996  390.8957       82.81221 416.0118       
160.4893 381.7819       96.67666 42.33458 9.283165 42.14125 5.464309 0.1933289 
10.77199 
1 1 1 13  30  11 o 47.12476 5.504326  538.0148       89.31492 412.8406       
172.4168 583.9235       104.4167 41.97369 9.927508 52.27582 4.757624 -10.30213 
11.00865 
1 1 1 13  30  12 o 33.41782 6.719622  256.3763       96.16907 259.9413       
160.7934 254.3907       119.9971 33.58408 10.36921 33.25156 8.549427 0.3325119 
13.43924 
1 1 1 13  30  13 o 78.54333 4.275906  1262.820       134.8298 1572.046       
235.8233 1112.649       164.3395 85.10686 6.599990 71.97980 5.438164 13.12706 
8.551812 
1 1 1 13  30  14 o 82.07935 3.691141  1379.433       122.1306 1678.609       
210.9480 1228.588       149.7881 88.31029 5.689644 75.84840 4.703834 12.46188 
7.382283 
1 1 1 13  30  15 o 22.58125 6.583237  50.96776       92.65091 54.98926       
175.4282 49.41210       109.1094 24.66973 10.25922 20.49276 8.252544 4.176970 
13.16647 
1 1 1 13  30  16 f 24.21073 6.898816  67.23302       102.5202 121.0376       
177.8083 40.43860       125.4771 27.27086 10.68583 21.15059 8.728550 6.120274 
13.79763 
1 1 1 13  30  17 o 85.27347 4.181689  1601.868       138.9559 1484.102       
241.9357 1659.840       169.7463 82.40272 6.993256 88.14423 4.586987 -5.741508 
8.363378 
1 1 1 13  30  18 f 66.60793 4.697090  860.5111       123.3459 1327.349       
227.1886 665.3879       146.8784 77.88052 6.948302 55.33534 6.322318 22.54519 
9.394179 
1 1 1 13  30  19 o 38.72486 7.206950  358.2955       113.4867 341.8016       
203.9792 365.6899       136.5765 37.66645 11.68896 39.78328 8.433789 -2.116825 
14.41390 
1 1 1 13  30  20 o 56.72735 5.597169  752.2351       113.7185 658.8916       
210.7192 790.5917       135.0773 52.91806 9.852227 60.53664 5.314776 -7.618576 
11.19434 
1 1 1 13  30  21 o 31.71706 7.152890  240.7434       102.4989 166.8892       
209.3752 264.0218       117.5477 29.81238 11.61322 33.62173 8.353948 -3.809357 
14.30578 
1 1 1 13  30  22 o 27.14513 7.478297  109.9452       110.2551 217.9724       
216.5545 72.14402       128.1012 31.83802 11.95832 22.45224 8.983222 9.385788 
14.95659 
1 1 1 13  30  23 o 28.35439 7.151154  175.7670       102.0434 157.2491       
190.5507 183.2129       120.8296 28.54497 11.08721 28.16380 9.034917 0.3811741 
14.30231 
1 1 1 13  30  24 o 59.28090 5.290298  820.2455       117.9843 717.4379       
212.6317 865.9797       141.8195 55.50900 9.124005 63.05280 5.357382 -7.543793 
10.58060 
1 1 1 13  30  25 o 86.13772 4.650856  1710.143       149.6917 1514.949       
274.3857 1792.855       178.6133 81.27236 8.041548 91.00307 4.674969 -9.730713 
9.301711 
1 1 1 13  30  26 o 66.78084 5.405900  994.7801       138.1711 1089.615       
257.4080 956.3953       163.7635 67.84779 9.036648 65.71390 5.935822 2.133888 
10.81180 
1 1 1 13  30  27 o 30.92897 7.800350  238.6463       125.2649 185.6759       
229.9083 261.0098       149.3853 29.68220 11.96853 32.17574 10.00680 -2.493544 
15.60070 
1 1 1 13  30  28 o 43.67054 7.556627  519.7725       132.9798 425.2617       
251.3220 556.5211       156.7148 38.43178 13.04464 48.90930 7.632023 -10.47752 
15.11325 
1 1 1 13  30  29 o 23.54627 7.340940  31.58738       127.0212 102.1134       
243.0154 5.076697       148.9943 26.84188 11.64462 20.25067 8.942065 6.591211 
14.68188 
1 1 1 13  30  30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  30  31 o 33.90575 8.303494  286.2327       130.7379 496.1792       
256.5411 212.5788       151.9499 39.35602 13.17939 28.45547 10.10424 10.90054 
16.60699 
1 1 1 13  30  32 o 25.21802 7.316942  140.7887       122.5822 78.20290       
220.3114 168.8525       147.5273 24.47834 10.83286 25.95771 9.838677 -1.479368 
14.63388 
1 1 1 13  30  33 o 41.05344 7.545722  357.6052       118.7515 881.5660       
258.3926 217.3057       133.7084 54.06355 11.71416 28.04334 9.514726 26.02020 
15.09144 
1 1 1 13  30  34 o 28.88971 7.494648  264.2744       117.4522 226.6716       
230.9917 277.3863       136.4011 27.08507 11.54059 30.69435 9.565235 -3.609272 
14.98930 
1 1 1 13  30  35 o 23.06236 6.447507  123.3681       116.9293 -258.5716      
232.3441 252.9112       135.3136 17.49745 8.640865 28.62726 9.571669 -11.12981 
12.89501 
1 1 1 13  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  31  3  o 90.34241 3.243337  1774.104       100.7110 1749.852       
216.0120 1780.840       113.8409 89.16254 5.770542 91.52227 2.962733 -2.359734 
6.486674 
1 1 1 13  31  4  o 56.30932 3.412119  683.4809       74.53580 695.0677       
134.1457 678.3061       89.64799 56.32251 5.673038 56.29612 3.793002 
0.2639008E-01  6.824238 
1 1 1 13  31  5  o 67.70592 3.561480  970.2695       86.71368 1039.398       
178.2387 948.8345       99.25119 68.71307 6.178510 66.69876 3.544370 2.014313 
7.122959 
1 1 1 13  31  6  o 21.89662 5.945256  82.91353       68.98972 73.04980       
143.0031 85.90562       78.76152 23.18761 9.402251 20.60563 7.278869 2.581987 
11.89051 
1 1 1 13  31  7  f 25.59658 6.166814  120.6321       73.00381 212.1351       
140.2514 86.62659       85.49969 30.18223 9.739181 21.01093 7.567481 9.171301 
12.33363 
1 1 1 13  31  8  o 65.47954 3.811086  928.8986       97.07632 927.2612       
173.0233 929.6509       117.2737 65.05364 6.335107 65.90543 4.238387 
-0.8517914     7.622172 
1 1 1 13  31  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  31  10 o 41.70655 5.607182  361.4542       86.78279 498.6255       
167.7120 311.2955       101.4158 46.26535 8.953931 37.14775 6.751968 9.117599 
11.21436 
1 1 1 13  31  11 o 42.15949 5.143291  382.0768       84.04977 449.3257       
148.7025 350.5066       101.8860 44.17725 8.322530 40.14173 6.045599 4.035515 
10.28658 
1 1 1 13  31  12 o 59.56367 4.347641  738.3422       101.2737 867.4695       
185.4244 683.4477       120.8988 62.78285 7.034720 56.34449 5.110834 6.438354 
8.695281 
1 1 1 13  31  13 o 48.94889 5.668758  527.6742       103.0985 575.2531       
192.7522 508.6073       122.0201 49.51549 9.615292 48.38230 6.007118 1.133190 
11.33752 
1 1 1 13  31  14 o 59.64531 4.726451  752.5376       112.8323 869.0760       
196.4142 695.1367       137.8471 62.66494 7.465679 56.62568 5.798361 6.039253 
9.452902 
1 1 1 13  31  15 o 73.54019 4.321062  1082.593       122.7804 1428.308       
234.5108 952.0405       144.1103 80.60290 6.930000 66.47749 5.163469 14.12540 
8.642124 
1 1 1 13  31  16 o 33.96178 7.110157  250.1886       103.1279 357.0970       
184.0115 201.2319       124.5216 38.36721 10.90658 29.55635 9.124904 8.810863 
14.22031 
1 1 1 13  31  17 o 53.91483 5.275978  617.3851       111.0586 723.8081       
203.5805 572.2948       132.5134 56.61187 8.565442 51.21778 6.162546 5.394085 
10.55196 
1 1 1 13  31  18 o 41.58595 6.609941  395.1245       103.4065 422.8490       
201.7447 385.2454       120.4291 41.37505 11.29892 41.79685 6.862921 
-0.4218025     13.21988 
1 1 1 13  31  19 o 23.48635 6.751909  73.49635       101.3232 68.11832       
168.6274 76.53522       126.7575 24.38334 10.09412 22.58935 8.970049 1.793991 
13.50382 
1 1 1 13  31  20 o 116.3177 3.859686  2936.630       180.3747 2950.769       
302.1619 2928.802       224.8274 115.9566 6.206767 116.6788 4.589636 
-0.7222672     7.719373 
1 1 1 13  31  21 o 37.91185 7.291785  289.0312       105.2782 517.9892       
221.4789 222.1970       119.6614 45.20265 11.61069 30.62106 8.824541 14.58160 
14.58357 
1 1 1 13  31  22 o 26.74783 7.397182  107.2559       103.3533 223.6772       
220.0429 74.30138       117.0707 31.69580 12.01518 21.79986 8.631844 9.895941 
14.79436 
1 1 1 13  31  23 o 55.53518 6.722953  838.9175       124.8595 539.3279       
241.2643 948.5075       145.9202 45.13589 12.36952 65.93446 5.271376 -20.79858 
13.44591 
1 1 1 13  31  24 o 21.39569 6.821142  -77.71249      113.7954 107.0679       
222.7413 -142.9748      132.3744 27.30248 11.46871 15.48890 7.387867 11.81358 
13.64228 
1 1 1 13  31  25 o 21.28908 6.533529  23.90545       105.7594 -96.66601      
202.2987 69.25217       124.0635 20.91956 9.688947 21.65860 8.767686 
-0.7390327     13.06706 
1 1 1 13  31  26 o 26.21692 7.595717  75.72372       122.8365 259.6104       
233.5788 5.427006       144.4195 32.20769 12.32939 20.22615 8.875010 11.98154 
15.19143 
1 1 1 13  31  27 o 82.73917 5.280380  1599.596       169.2568 1555.543       
298.6736 1620.436       205.4268 80.26398 8.863337 85.21436 5.742029 -4.950378 
10.56076 
1 1 1 13  31  28 o 29.72415 7.687678  96.91316       128.1558 493.2079       
243.9580 -54.13036      150.6111 40.84999 12.80464 18.59831 8.511341 22.25168 
15.37536 
1 1 1 13  31  29 o 39.59622 7.206510  474.4215       134.2168 207.2136       
246.2629 587.3322       160.0818 29.48646 12.20206 49.70599 7.671039 -20.21953 
14.41302 
1 1 1 13  31  30 o 48.98908 7.441961  579.3956       134.2726 848.3448       
266.4372 487.8368       155.4567 54.17253 12.03127 43.80563 8.762404 10.36690 
14.88392 
1 1 1 13  31  31 o 46.60234 6.808735  731.4420       146.4428 169.6169       
256.2464 1003.932       178.4566 27.64578 11.97486 65.55889 6.483688 -37.91311 
13.61747 
1 1 1 13  31  32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  31  33 o 21.76481 7.143550  -23.62005      120.0118 234.2439       
272.0027 -85.95313      133.7325 27.62433 12.15018 15.90530 7.516273 11.71903 
14.28710 
1 1 1 13  31  34 o 24.59273 7.298818  141.2451       108.1778 294.5508       
231.9958 98.65091       122.2858 28.26719 11.77926 20.91828 8.622070 7.348904 
14.59764 
1 1 1 13  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  32  4  o 50.43167 3.923035  561.2227       70.11862 560.0922       
144.0120 561.5740       80.27677 49.73018 6.897628 51.13316 3.739455 -1.402973 
7.846069 
1 1 1 13  32  5  f 25.49590 5.996130  129.0519       68.18125 211.2419       
133.3179 99.94132       79.34218 29.53841 9.491790 21.45340 7.329409 8.085018 
11.99226 
1 1 1 13  32  6  o 43.83376 5.094732  474.5403       78.23404 365.0254       
146.3310 518.3726       92.57574 38.70480 9.140209 48.96271 4.503528 -10.25791 
10.18946 
1 1 1 13  32  7  o 43.88314 4.823910  389.8489       78.88158 525.8550       
160.7176 346.6891       90.53658 47.94194 7.984890 39.82434 5.414975 8.117599 
9.647820 
1 1 1 13  32  8  o 67.72832 4.310125  951.5895       104.9296 1132.174       
220.5480 898.7537       119.2964 70.86111 7.413381 64.59553 4.398918 6.265579 
8.620250 
1 1 1 13  32  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  32  10 o 44.41719 4.974050  443.5648       83.42165 449.7562       
149.0348 440.7400       100.6700 43.81036 8.402475 45.02403 5.325702 -1.213676 
9.948100 
1 1 1 13  32  11 o 67.00639 3.868667  956.5128       97.09253 1024.251       
187.5375 931.7075       113.4858 68.07004 6.562255 65.94274 4.099165 2.127296 
7.737334 
1 1 1 13  32  12 o 42.38174 5.859814  406.3115       91.40115 434.9914       
176.4626 395.7959       106.8516 42.25517 10.07484 42.50832 5.987260 
-0.2531471     11.71963 
1 1 1 13  32  13 o 98.52844 3.852414  2140.419       152.1865 2000.696       
250.9320 2221.716       191.4068 95.40124 6.265029 101.6556 4.484839 -6.254410 
7.704828 
1 1 1 13  32  14 o 82.83464 4.308259  1416.112       131.1175 1695.417       
267.3511 1327.657       150.4539 87.11748 7.309669 78.55181 4.562138 8.565666 
8.616517 
1 1 1 13  32  15 o 21.76643 6.462339  46.86163       94.37273 -9.723512      
178.3642 68.86131       111.2153 22.23860 9.806488 21.29427 8.419031 0.9443378 
12.92468 
1 1 1 13  32  16 o 39.84393 6.578700  387.7368       104.7269 333.0949       
186.5683 412.8752       126.5444 36.61442 11.14224 43.07345 6.997684 -6.459030 
13.15740 
1 1 1 13  32  17 o 64.74858 4.592793  934.3678       115.0558 904.0239       
204.7144 948.3785       139.1047 63.31348 7.701462 66.18368 5.006245 -2.870193 
9.185587 
1 1 1 13  32  18 o 26.99202 7.012703  143.9693       100.9176 200.5612       
169.9057 113.1213       125.4425 29.79759 10.67414 24.18644 9.098059 5.611156 
14.02541 
1 1 1 13  32  19 o 28.54762 6.962820  192.8918       99.84152 85.77622       
203.6316 226.7918       114.5561 26.23425 10.99032 30.86098 8.551974 -4.626726 
13.92564 
1 1 1 13  32  20 o 26.32958 7.067435  140.5605       106.1837 112.4767       
178.5329 155.9324       132.0849 26.09611 10.53680 26.56305 9.421800 
-0.4669361     14.13487 
1 1 1 13  32  21 o 32.55529 6.566061  292.6741       108.0634 8.784431       
214.8769 388.7820       125.0243 24.27435 10.72615 40.83624 7.576440 -16.56188 
13.13212 
1 1 1 13  32  22 o 37.29698 6.935020  354.7006       106.1147 311.8005       
191.6372 373.6709       127.4348 34.82690 11.39087 39.76706 7.913671 -4.940155 
13.87004 
1 1 1 13  32  23 o 53.57318 5.693044  588.5162       115.4691 866.5663       
231.6479 496.5872       133.1965 60.23735 9.159750 46.90902 6.763282 13.32834 
11.38609 
1 1 1 13  32  24 o 67.15630 5.286562  1048.765       129.3674 1011.577       
250.7928 1062.248       151.0087 64.78085 9.221245 69.53175 5.172967 -4.750900 
10.57312 
1 1 1 13  32  25 o 35.38947 8.029608  315.8205       127.2974 409.4674       
229.6461 274.2820       152.9458 38.13444 12.46942 32.64450 10.11987 5.489941 
16.05922 
1 1 1 13  32  26 o 27.73690 7.720759  128.5764       123.5175 311.8917       
229.5117 53.83471       146.5503 33.65025 12.37092 21.82356 9.241254 11.82669 
15.44152 
1 1 1 13  32  27 o 74.10851 6.277756  1399.882       167.0994 1197.033       
313.8091 1480.161       197.4149 67.11729 11.13659 81.09973 5.798044 -13.98244 
12.55551 
1 1 1 13  32  28 o 44.21983 7.954401  468.2460       133.7706 767.9829       
268.3523 369.1362       154.3098 51.09316 12.57788 37.34650 9.740988 13.74666 
15.90880 
1 1 1 13  32  29 f 25.37009 7.390470  136.1594       123.6967 24.27888       
252.2470 171.5815       141.9339 24.46800 11.13717 26.27218 9.718006 -1.804184 
14.78094 
1 1 1 13  32  30 o 18.77393 6.097682  -48.53565      112.6986 -484.9919      
262.3946 50.18971       124.7955 17.51053 8.736895 20.03733 8.508441 -2.526794 
12.19536 
1 1 1 13  32  31 o 33.42626 7.967560  191.7218       119.0251 721.3687       
271.5264 65.73897       132.4264 46.10589 13.29486 20.74663 8.784911 25.35926 
15.93512 
1 1 1 13  32  32 o 22.96530 7.258763  61.45102       114.1316 220.9081       
260.9206 23.72250       126.9175 27.31645 11.95803 18.61416 8.231897 8.702290 
14.51753 
1 1 1 13  32  33 o 25.17192 7.582474  165.0019       119.4472 269.3811       
271.6659 139.9872       132.9921 27.36293 12.07962 22.98092 9.168338 4.382010 
15.16495 
1 1 1 13  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  33  4  o 16.78897 4.837918  34.89417       53.97345 -23.24839      
98.12229 60.11842       64.62933 15.89474 7.117774 17.68320 6.554319 -1.788457 
9.675836 
1 1 1 13  33  5  o 51.18293 3.799973  524.9442       73.99489 717.5983       
145.9995 458.3541       85.83554 56.48758 6.156295 45.87827 4.456369 10.60931 
7.599946 
1 1 1 13  33  6  o 50.84028 4.641444  566.3488       80.46240 616.1160       
177.1425 553.4116       90.31713 51.14891 8.249118 50.53165 4.257236 0.6172638 
9.282887 
1 1 1 13  33  7  o 47.12691 4.315756  443.0115       80.63872 692.5734       
145.5088 332.3926       96.87568 55.62234 6.231047 38.63147 5.973028 16.99087 
8.631513 
1 1 1 13  33  8  o 71.22690 4.176617  1010.669       111.7381 1402.126       
225.8715 883.8287       128.5728 78.76484 6.830463 63.68896 4.808459 15.07588 
8.353233 
1 1 1 13  33  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  33  10 o 42.62511 6.392712  459.1993       99.55462 383.3754       
195.5964 485.7102       115.6565 38.37971 11.35439 46.87052 5.877482 -8.490810 
12.78542 
1 1 1 13  33  11 o 23.55011 6.719892  25.11119       85.95802 231.5875       
195.7911 -24.18885      95.67125 31.24106 11.43180 15.85916 7.066948 15.38190 
13.43978 
1 1 1 13  33  12 o 25.29492 6.408476  141.8132       87.77538 54.82281       
161.0739 178.5570       104.6844 23.09935 9.730251 27.49049 8.342451 -4.391140 
12.81695 
1 1 1 13  33  13 f 52.86787 4.476230  594.9995       93.78056 702.5923       
167.2426 545.6517       113.2632 55.80824 7.137887 49.92751 5.403434 5.880726 
8.952459 
1 1 1 13  33  14 o 45.15526 5.465203  411.0819       94.88655 666.0212       
178.0979 310.0344       112.1252 53.94564 7.863638 36.36488 7.591902 17.58076 
10.93041 
1 1 1 13  33  15 o 22.72938 6.566611  32.52455       93.35612 173.4775       
174.0138 -24.43962      110.6235 28.36502 10.70469 17.09374 7.608621 11.27127 
13.13322 
1 1 1 13  33  16 o 54.04782 5.009439  593.5166       106.6308 866.9058       
197.3739 480.8352       126.7142 61.66544 7.623755 46.43021 6.500484 15.23523 
10.01888 
1 1 1 13  33  17 f 52.50558 5.293147  578.8588       108.5082 768.5895       
202.9023 502.8637       128.4135 57.52855 8.400879 47.48260 6.441651 10.04595 
10.58629 
1 1 1 13  33  18 o 26.19798 7.107951  114.8631       100.7973 224.1115       
190.7561 72.54254       118.7262 30.77169 11.28153 21.62427 8.649796 9.147421 
14.21590 
1 1 1 13  33  19 o 68.41156 4.864573  1098.510       122.5333 954.7096       
227.7508 1157.092       145.3650 63.87480 8.492810 72.94832 4.746415 -9.073517 
9.729146 
1 1 1 13  33  20 f 17.18613 5.676399  -75.51630      89.35223 -97.29530      
174.4817 -67.77457      104.0279 19.31811 8.966751 15.05415 6.963002 4.263958 
11.35280 
1 1 1 13  33  21 o 56.26958 6.387906  819.7612       127.0089 623.4124       
229.9059 906.0052       152.3703 48.58330 11.44637 63.95586 5.674677 -15.37257 
12.77581 
1 1 1 13  33  22 o 38.93572 7.142719  358.6350       105.6157 462.5031       
213.5154 324.9878       121.5243 41.21180 11.75908 36.65963 8.111581 4.552170 
14.28544 
1 1 1 13  33  23 o 21.08035 6.563759  -7.962854      97.95300 105.9939       
197.0572 -45.36067      112.8874 25.79631 10.80936 16.36438 7.449121 9.431932 
13.12752 
1 1 1 13  33  24 o 80.75246 4.357706  1381.249       135.3730 1712.856       
257.2981 1254.319       159.1870 86.08306 7.119344 75.42185 5.027260 10.66121 
8.715412 
1 1 1 13  33  25 o 41.73331 7.676036  402.5652       130.9230 730.8470       
241.2015 265.4456       155.8857 51.73965 11.41050 31.72696 10.27067 20.01270 
15.35207 
1 1 1 13  33  26 o 31.46775 8.162343  254.7202       133.0917 334.5769       
240.0468 219.2762       159.9230 33.84291 12.61414 29.09259 10.36238 4.750328 
16.32469 
1 1 1 13  33  27 o 39.34730 7.699047  441.1789       125.2772 409.5094       
246.1553 452.2492       145.5350 36.24754 12.86157 42.44706 8.466478 -6.199520 
15.39809 
1 1 1 13  33  28 o 17.64208 5.960234  -128.1206      118.7204 -398.7053      
246.3549 -46.27359      135.4912 17.74530 8.795582 17.53887 8.045826 0.2064285 
11.92047 
1 1 1 13  33  29 o 28.27181 7.591497  75.06506       110.1860 521.7727       
251.6231 -30.91725      122.5619 39.50948 13.05245 17.03415 7.756078 22.47533 
15.18299 
1 1 1 13  33  30 o 30.64885 8.049292  207.4642       112.1633 507.9885       
264.6843 141.6855       123.8315 37.41251 13.33063 23.88518 9.025452 13.52732 
16.09858 
1 1 1 13  33  31 o 23.51149 6.422622  133.3776       111.1887 -338.2108      
264.6004 234.5079       122.5321 18.29745 9.079314 28.72553 9.086602 -10.42808 
12.84524 
1 1 1 13  33  32 o 28.09632 7.986398  166.6747       110.4174 559.9290       
278.2900 93.19864       120.2912 35.53813 13.50032 20.65451 8.536488 14.88363 
15.97280 
1 1 1 13  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  5  o 47.49480 3.985478  511.4468       71.16072 495.4715       
132.4287 517.9323       84.37779 46.23562 6.822230 48.75399 4.122295 -2.518364 
7.970956 
1 1 1 13  34  6  o 18.55652 5.383135  -9.687451      65.17300 140.7105       
123.3896 -67.88097      76.75293 24.76667 9.073999 12.34637 5.794405 12.42031 
10.76627 
1 1 1 13  34  7  o 22.12090 5.509222  106.2215       76.26046 -182.8485      
172.2734 176.6724       85.04720 17.16416 8.244223 27.07764 7.310190 -9.913483 
11.01844 
1 1 1 13  34  8  o 35.68898 5.227773  306.1199       74.99239 276.9764       
120.5117 324.5371       95.80116 33.38331 8.558566 37.99465 6.005779 -4.611336 
10.45555 
1 1 1 13  34  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  34  10 o 48.21071 6.469924  562.8506       114.4486 585.2923       
218.0127 554.3134       134.4674 46.91225 11.20664 49.50917 6.469228 -2.596924 
12.93985 
1 1 1 13  34  11 o 29.96745 6.277871  245.9691       101.1299 -37.84472      
200.4403 342.8882       117.1313 21.97104 9.981139 37.96386 7.617318 -15.99282 
12.55574 
1 1 1 13  34  12 o 59.53147 5.103473  826.5913       112.4394 775.8428       
211.5850 846.5628       132.7327 56.96960 8.846322 62.09333 5.091596 -5.123730 
10.20695 
1 1 1 13  34  13 f 67.15147 4.764186  1040.454       116.6104 977.1050       
224.9924 1063.721       136.3534 64.42905 8.317776 69.87390 4.648063 -5.444855 
9.528373 
1 1 1 13  34  14 o 29.39148 6.411623  221.5812       91.65791 115.6714       
157.8905 275.4144       112.5674 25.01482 9.986640 33.76813 8.043797 -8.753305 
12.82325 
1 1 1 13  34  15 o 42.56872 6.122969  455.4816       99.47820 382.9049       
176.2235 489.4254       120.5164 38.36509 10.59700 46.77235 6.137308 -8.407269 
12.24594 
1 1 1 13  34  16 o 55.17515 5.053355  706.5535       106.9569 665.7576       
190.5614 725.3160       129.2327 53.00331 8.563534 57.34698 5.367633 -4.343666 
10.10671 
1 1 1 13  34  17 o 59.24583 4.842497  757.9882       111.4704 910.3657       
206.7593 695.5491       132.3528 62.48800 7.881148 56.00365 5.629086 6.484352 
9.684995 
1 1 1 13  34  18 o 46.31857 6.002985  469.1150       100.3692 622.7878       
204.2304 420.1804       115.2469 49.45365 10.18506 43.18349 6.356714 6.270161 
12.00597 
1 1 1 13  34  19 o 20.03708 6.213777  6.874277       90.94627 47.31398       
170.5192 -9.202469      107.5148 22.85751 9.832807 17.21665 7.600001 5.640856 
12.42755 
1 1 1 13  34  20 o 21.14458 6.542394  28.86485       97.67063 4.751049       
202.9086 36.13699       111.4291 23.01290 10.27221 19.27625 8.105144 3.736652 
13.08479 
1 1 1 13  34  21 o 30.77678 7.226060  254.5572       111.2117 136.6877       
217.6744 296.1923       129.3709 27.23440 11.38327 34.31916 8.904205 -7.084761 
14.45212 
1 1 1 13  34  22 o 36.28746 7.074024  339.9060       104.4653 354.3921       
197.1070 334.2476       123.1899 35.69879 11.54833 36.87613 8.173331 -1.177345 
14.14805 
1 1 1 13  34  23 f 34.96816 7.591093  320.0264       111.8624 354.8790       
229.2327 309.1329       128.1575 34.97037 12.41128 34.96595 8.744081 
0.4425049E-02  15.18219 
1 1 1 13  34  24 o 29.12344 7.387146  206.1705       104.5188 257.9594       
207.3601 188.5316       121.0160 30.88437 11.67661 27.36250 9.051869 3.521868 
14.77429 
1 1 1 13  34  25 o 29.59048 6.579836  241.6002       119.6474 -160.7030      
236.0833 380.6439       138.7920 20.56004 9.820833 38.62092 8.759464 -18.06088 
13.15967 
1 1 1 13  34  26 o 21.15902 6.746968  12.79169       118.7884 -86.05207      
237.9720 45.59401       137.0893 21.73112 10.19959 20.58691 8.834851 1.144205 
13.49394 
1 1 1 13  34  27 o 22.78558 7.136642  10.01245       116.7164 206.2644       
236.5293 -53.15564      134.1921 28.37646 11.86369 17.19470 7.935968 11.18176 
14.27328 
1 1 1 13  34  28 o 38.83592 7.675536  461.1329       124.4192 407.6018       
259.6821 477.0827       141.7480 34.35223 13.04369 43.31961 8.094290 -8.967381 
15.35107 
1 1 1 13  34  29 o 25.20671 7.532196  128.8578       111.2555 252.9558       
262.1898 101.6062       122.8654 28.66713 12.25744 21.74628 8.757337 6.920851 
15.06439 
1 1 1 13  34  30 o 24.37350 7.341473  -28.98903      110.4796 485.3889       
257.7263 -144.7895      122.2849 34.90826 13.05864 13.83874 6.712728 21.06952 
14.68295 
1 1 1 13  34  31 o 20.24863 6.674807  15.43592       105.3557 112.3801       
257.5811 -4.040992      115.4551 23.77406 10.98110 16.72320 7.591281 7.050865 
13.34961 
1 1 1 13  35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  5  o 19.11196 5.329917  60.11407       67.63506 -21.53673      
110.3628 109.2252       85.59183 16.58004 7.481194 21.64388 7.593669 -5.063837 
10.65983 
1 1 1 13  35  6  o 51.52526 3.873388  588.3040       76.24274 627.3802       
141.7860 572.4087       90.42968 51.96635 6.498785 51.08418 4.216437 0.8821640 
7.746777 
1 1 1 13  35  7  o 57.02457 3.931776  737.9138       85.73750 720.6330       
155.5100 745.4605       102.7674 55.68625 6.651683 58.36290 4.194109 -2.676651 
7.863551 
1 1 1 13  35  8  o 64.02404 4.670145  993.1047       102.8099 851.6434       
208.2242 1038.708       118.2258 59.02934 8.402032 69.01875 4.080058 -9.989410 
9.340290 
1 1 1 13  35  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  35  10 o 63.37306 4.121255  913.7545       108.3320 828.5297       
160.5363 985.0125       146.7936 60.22560 6.349115 66.52053 5.256207 -6.294933 
8.242510 
1 1 1 13  35  11 o 26.67273 6.829238  172.4691       94.21027 129.7808       
185.5965 187.2862       109.3449 25.89147 10.63855 27.45399 8.565935 -1.562527 
13.65848 
1 1 1 13  35  12 o 51.83947 5.930281  593.7249       109.3281 784.6452       
226.0168 535.4078       124.9144 55.05272 10.16040 48.62622 6.118756 6.426498 
11.86056 
1 1 1 13  35  13 f 61.66475 5.959720  925.7399       122.6301 897.3718       
253.6882 934.3897       140.0838 58.36762 10.75600 64.96188 5.136300 -6.594254 
11.91944 
1 1 1 13  35  14 o 37.40440 7.237233  386.0851       113.5906 310.6671       
218.7094 413.9429       132.9243 33.48450 12.09899 41.32430 7.945098 -7.839806 
14.47447 
1 1 1 13  35  15 o 34.25095 6.988221  325.4723       102.1883 221.4648       
220.2472 354.0038       115.3562 30.01820 11.85419 38.48369 7.403989 -8.465492 
13.97644 
1 1 1 13  35  16 o 82.75815 4.308794  1604.328       136.6129 1384.411       
237.7942 1712.670       166.9055 77.01772 7.354136 88.49858 4.492163 -11.48086 
8.617589 
1 1 1 13  35  17 o 36.00988 6.975721  321.6075       102.9740 400.2118       
183.2872 285.3538       124.4757 38.35826 10.87903 33.66150 8.734381 4.696770 
13.95144 
1 1 1 13  35  18 o 24.44636 6.721152  124.6786       102.6574 16.63830       
182.2724 174.8706       124.2353 22.17681 9.828868 26.71590 9.169999 -4.539091 
13.44230 
1 1 1 13  35  19 o 56.16172 5.236197  740.4136       116.3966 738.1913       
198.8633 741.5717       143.5560 55.05505 8.603568 57.26839 5.970731 -2.213341 
10.47239 
1 1 1 13  35  20 o 59.31469 5.186542  771.9761       117.6902 969.7400       
225.6799 698.1038       137.9306 63.07615 8.522141 55.55323 5.913878 7.522919 
10.37308 
1 1 1 13  35  21 o 19.20959 6.165765  -28.03485      107.1917 -183.4138      
201.6102 33.19698       126.5625 18.64095 8.945060 19.77824 8.488377 -1.137293 
12.33153 
1 1 1 13  35  22 o 31.67467 7.092461  270.3412       102.4112 251.1939       
188.7877 278.3251       121.9070 30.38747 11.21431 32.96188 8.686268 -2.574411 
14.18492 
1 1 1 13  35  23 o 34.30443 7.558947  305.0081       106.4732 384.2970       
231.1981 283.6655       119.9502 35.33762 12.47214 33.27123 8.543792 2.066387 
15.11789 
1 1 1 13  35  24 o 41.26745 7.386501  467.3969       117.4700 484.7746       
233.9304 461.5372       135.8387 39.29456 12.56786 43.24034 7.764692 -3.945774 
14.77300 
1 1 1 13  35  25 o 22.86507 7.086307  54.65579       135.0693 -235.0042      
281.8210 141.0324       153.8960 20.94908 10.17076 24.78106 9.870090 -3.831984 
14.17261 
1 1 1 13  35  26 o 23.47827 7.416639  56.20849       121.2375 163.9106       
273.9976 29.98849       135.1920 27.30050 12.08146 19.65603 8.606071 7.644470 
14.83328 
1 1 1 13  35  27 o 21.36380 6.688900  46.03505       119.7990 -162.5440      
247.3520 109.9558       136.9308 20.15078 9.727310 22.57681 9.183950 -2.426033 
13.37780 
1 1 1 13  35  28 o 21.47967 6.975430  9.423439       115.7961 168.5211       
254.2578 -32.21145      130.0682 25.92443 11.53727 17.03491 7.843331 8.889521 
13.95086 
1 1 1 13  35  29 o 20.81303 6.557406  64.97536       109.8659 -107.9812      
257.4086 103.5014       121.4876 20.40053 9.862069 21.22554 8.645108 
-0.8250065     13.11481 
1 1 1 13  35  30 o 22.17038 7.147337  29.23318       105.7125 322.7874       
266.8918 -25.39079      115.1285 28.33000 12.24545 16.01075 7.374733 12.31925 
14.29467 
1 1 1 13  36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  36  5  o 37.00798 4.823410  429.2957       67.48147 135.3047       
119.6326 566.4890       81.72388 23.29250 8.850642 50.72346 3.837613 -27.43095 
9.646820 
1 1 1 13  36  6  o 17.10884 5.104979  6.071057       72.14915 -151.6292      
122.0480 90.78621       89.45305 13.91420 6.737545 20.30347 7.671292 -6.389267 
10.20996 
1 1 1 13  36  7  o 28.99860 5.795095  230.9603       73.24537 164.0426       
139.2793 256.5418       86.11495 25.40396 9.579947 32.59324 6.523582 -7.189283 
11.59019 
1 1 1 13  36  8  o 29.72319 5.944851  239.4446       78.19668 180.8352       
136.1382 268.3023       95.52720 26.39753 9.544914 33.04886 7.089404 -6.651331 
11.88970 
1 1 1 13  36  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  36  10 o 38.96535 6.110979  390.7663       97.18298 377.1620       
143.3576 402.3344       132.1950 37.91003 9.107401 40.02067 8.150552 -2.110638 
12.22196 
1 1 1 13  36  11 o 23.31719 6.290078  105.5354       80.28946 183.1173       
145.2868 71.42493       96.33634 26.85156 9.845468 19.78282 7.831161 7.068739 
12.58016 
1 1 1 13  36  12 o 53.14559 4.393920  628.9274       94.16916 726.4578       
160.8072 578.0255       116.1724 55.65499 6.882124 50.63619 5.464660 5.018803 
8.787840 
1 1 1 13  36  13 o 19.69730 6.233210  5.740262       100.9919 -87.79748      
194.6417 40.19901       118.1387 19.90894 9.322689 19.48565 8.276417 0.4232903 
12.46642 
1 1 1 13  36  14 o 21.97140 6.908093  36.09902       113.3463 -5.385575      
240.9697 47.88539       128.4426 23.59650 10.78503 20.34629 8.635405 3.250206 
13.81619 
1 1 1 13  36  15 o 46.81467 6.908510  569.8450       122.1562 578.4448       
226.5825 566.3212       145.0398 44.53840 11.89059 49.09093 7.037313 -4.552532 
13.81702 
1 1 1 13  36  16 o 42.61011 7.584319  436.8517       120.1073 666.6086       
248.3497 366.7078       137.2220 47.39247 12.35607 37.82774 8.798585 9.564724 
15.16864 
1 1 1 13  36  17 o 33.17736 7.666706  200.7379       111.6448 587.1340       
241.3822 95.58114       125.9237 44.07704 12.47943 22.27768 8.909391 21.79936 
15.33341 
1 1 1 13  36  18 o 31.68493 7.328402  254.5259       105.4609 352.0941       
190.7046 211.5430       126.5769 34.86444 11.36312 28.50541 9.257509 6.359026 
14.65680 
1 1 1 13  36  19 o 21.79628 6.195338  78.96816       95.93338 -144.7539      
191.0102 154.4386       110.9407 18.57692 8.864055 25.01565 8.657792 -6.438723 
12.39068 
1 1 1 13  36  20 o 20.51496 6.172046  30.54028       101.7932 -139.2412      
172.1225 121.8622       126.2350 17.61423 8.407007 23.41568 9.038741 -5.801455 
12.34409 
1 1 1 13  36  21 o 57.29042 4.904892  754.2881       110.6505 843.2632       
196.5597 713.0119       133.8783 58.64665 7.983112 55.93420 5.701035 2.712448 
9.809785 
1 1 1 13  36  22 o 51.54892 5.403867  613.9426       107.6236 737.0326       
200.4333 564.0755       127.5749 53.75048 8.881956 49.34736 6.157755 4.403114 
10.80773 
1 1 1 13  36  23 o 23.46166 6.901429  102.0574       102.6131 149.9953       
196.1331 83.99081       120.4066 25.74631 10.78600 21.17702 8.612849 4.569296 
13.80286 
1 1 1 13  36  24 o 29.84306 8.153119  247.9846       137.3174 365.8952       
243.0214 192.6825       166.4329 32.94647 12.58660 26.73965 10.36681 6.206823 
16.30624 
1 1 1 13  36  25 o 34.20649 6.687179  369.6882       129.0161 25.75220       
216.1101 560.1460       160.8184 22.34727 10.21385 46.06572 8.634274 -23.71845 
13.37436 
1 1 1 13  36  26 o 24.52111 7.338777  126.5462       121.1597 252.5169       
219.3818 71.26129       145.3346 28.08272 11.55727 20.95950 9.047658 7.123222 
14.67755 
1 1 1 13  36  27 o 25.52545 7.824780  132.9930       138.3002 384.2410       
267.7422 41.56020       161.5163 30.78349 12.72998 20.26740 9.102540 10.51609 
15.64956 
1 1 1 13  36  28 o 40.45895 7.397793  563.5416       130.5006 450.7730       
251.8720 604.9234       152.5776 32.66751 12.73492 48.25039 7.532010 -15.58288 
14.79559 
1 1 1 13  37  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 13  37  6  o 21.38323 5.763926  82.15345       70.21362 212.3777       
126.1145 23.65652       84.52512 26.78034 9.234532 15.98612 6.900344 10.79422 
11.52785 
1 1 1 13  37  7  o 23.38000 5.710094  143.7121       80.65887 -7.665108      
136.0970 225.6690       100.1408 17.89549 8.154933 28.86451 7.994859 -10.96902 
11.42019 
1 1 1 13  37  8  o 30.29709 5.679142  272.7483       81.21310 127.1562       
149.7526 333.4082       96.66212 23.18483 9.546308 37.40934 6.154564 -14.22451 
11.35828 
1 1 1 13  37  9  o 31.64937 8.772610  274.0744       120.5287 0.000000       
0.000000 274.0744       120.5287 ?        ?        31.64937 8.772610 ? ? 
1 1 1 13  37  10 o 20.09381 6.011111  43.62826       95.29427 -86.47810      
153.2715 125.6130       121.6687 17.23652 8.114374 22.95110 8.870780 -5.714579 
12.02222 
1 1 1 13  37  11 o 25.83731 6.611532  178.3648       93.88801 131.9721       
150.2524 208.0832       120.2567 23.93700 9.665775 27.73761 9.023426 -3.800611 
13.22306 
1 1 1 13  37  12 o 38.83757 6.161573  376.4662       95.73433 502.9142       
159.1362 304.7487       119.8466 43.56855 9.006057 34.10659 8.411355 9.461956 
12.32315 
1 1 1 13  37  13 o 20.70602 6.144197  68.30033       88.78271 43.66151       
147.9143 82.17634       111.0024 20.70498 9.034100 20.70707 8.330045 
-0.2096176E-02 12.28839 
1 1 1 13  37  14 o 27.40336 6.784780  168.9937       91.14780 314.5067       
167.5652 107.8456       108.6237 32.83714 10.65032 21.96957 8.408549 10.86757 
13.56956 
1 1 1 13  37  15 o 46.75170 7.002931  538.5264       118.1688 721.9575       
244.8650 482.8374       134.9194 48.71986 12.02790 44.78355 7.175910 3.936306 
14.00586 
1 1 1 13  37  16 o 44.12311 7.152667  593.3320       122.8721 422.2105       
243.6687 651.6810       142.2867 35.55002 12.77809 52.69621 6.431408 -17.14619 
14.30533 
1 1 1 13  37  17 o 31.55788 7.995563  262.1801       120.0372 410.3975       
242.8186 214.2437       138.0908 35.06043 12.74051 28.05532 9.664134 7.005104 
15.99113 
1 1 1 13  37  18 o 30.91941 7.983354  214.1982       113.8750 482.7079       
253.2645 146.1596       127.4888 37.47851 13.07064 24.36030 9.170289 13.11820 
15.96671 
1 1 1 13  37  19 o 30.05968 8.153151  238.9008       128.6938 381.8339       
259.2619 192.1672       148.2474 33.36616 12.93822 26.75320 9.924613 6.612957 
16.30630 
1 1 1 13  37  20 o 24.49402 7.022710  109.4648       99.28549 252.5623       
200.0833 62.71860       114.3583 29.14182 11.35248 19.84622 8.270130 9.295603 
14.04542 
1 1 1 13  37  21 o 49.20395 5.765901  600.8044       105.3813 660.0783       
194.3972 576.1371       125.4064 48.78642 9.835971 49.62148 6.019646 
-0.8350525     11.53180 
1 1 1 13  37  22 o 34.55360 7.229336  302.9275       104.7410 521.4666       
198.5633 218.6759       123.2887 41.07485 11.20616 28.03234 9.136473 13.04251 
14.45867 
1 1 1 13  37  23 f 34.11497 7.274147  330.3743       106.0525 432.6291       
192.8603 286.0521       126.9732 36.39889 11.38007 31.83106 9.063489 4.567823 
14.54829 
1 1 1 13  37  24 o 28.12011 8.029024  219.6584       138.2200 431.1504       
248.4492 124.8602       166.3377 33.11779 12.70477 23.12243 9.820885 9.995365 
16.05805 
1 1 1 13  37  25 o 19.07375 6.357676  -43.27352      128.3315 -9.330293      
210.0454 -63.49081      162.1056 20.52047 9.622540 17.62702 8.311852 2.893452 
12.71535 
1 1 1 13  37  26 o 31.84940 7.451724  364.6487       129.0700 216.6491       
224.5909 437.6324       157.7156 25.82465 11.19877 37.87414 9.833626 -12.04949 
14.90345 
1 1 1 13  38  8  o 15.67218 5.173362  -41.16320      82.64307 -87.84003      
138.3073 -15.24270      103.0662 15.77092 7.529331 15.57345 7.096750 0.1974707 
10.34672 
1 1 1 13  38  9  o 32.38748 6.369966  317.5757       87.92208 283.6656       
165.3819 330.9356       103.8070 29.10869 10.52074 35.66628 7.184696 -6.557590 
12.73993 
1 1 1 13  38  10 o 31.08818 6.533916  297.0353       92.50782 252.1519       
160.0683 319.5445       113.3551 27.91468 10.32125 34.26168 8.014984 -6.346996 
13.06783 
1 1 1 13  38  11 o 21.01442 6.342488  88.04043       95.76032 75.22678       
168.3872 94.16534       116.4187 21.38005 9.465041 20.64878 8.445211 0.7312660 
12.68498 
1 1 1 13  38  12 o 17.76848 5.848363  -38.81019      97.42509 32.45528       
173.7432 -71.49565      117.6645 20.46336 9.295281 15.07360 7.100080 5.389767 
11.69673 
1 1 1 13  38  13 o 50.24173 5.664256  641.0019       111.1081 730.9781       
190.5378 594.6423       136.7688 51.18348 9.201698 49.29998 6.607867 1.883507 
11.32851 
1 1 1 13  38  14 o 20.31896 6.052434  68.02816       94.09512 -57.76773      
164.0166 129.7419       114.8803 18.05063 8.471333 22.58729 8.646639 -4.536663 
12.10487 
1 1 1 13  38  15 o 25.54890 6.646535  181.4720       92.09821 200.4112       
148.7346 169.6945       117.2891 26.24634 9.899147 24.85146 8.872013 1.394886 
13.29307 
1 1 1 13  38  16 o 17.21056 5.643466  -39.36640      91.94522 5.525799       
156.8010 -62.89109      113.5077 19.31511 8.788804 15.10601 7.081790 4.209099 
11.28693 
1 1 1 13  38  17 o 20.31302 6.423330  44.91956       105.7047 -2.554782      
204.5228 62.22289       123.4745 20.87222 9.695769 19.75382 8.427855 1.118402 
12.84666 
1 1 1 13  38  18 o 25.57831 7.653947  133.1052       125.8741 358.7164       
248.6132 55.33512       145.9655 30.83957 12.44147 20.31705 8.918594 10.52252 
15.30789 
1 1 1 13  38  19 o 49.30277 8.006407  690.1134       142.2772 954.9968       
303.1685 615.2966       161.1224 49.92210 13.93798 48.68344 7.883076 1.238663 
16.01281 
1 1 1 13  38  20 o 24.39198 7.493145  153.8988       139.3706 79.49146       
273.3007 180.0491       162.0208 23.76242 11.10369 25.02154 10.06464 -1.259117 
14.98629 
1 1 1 13  38  21 o 25.04213 7.763620  166.2430       144.7966 235.5167       
274.8502 139.6309       170.3535 26.65228 11.92443 23.43198 9.945003 3.220297 
15.52724 
1 1 1 13  38  22 o 29.08157 7.140844  278.4525       104.5552 214.4203       
256.8331 291.1723       114.4699 25.92205 11.56418 32.24110 8.380716 -6.319054 
14.28169 
1 1 1 13  38  23 o 38.61418 7.453541  385.1289       108.5595 729.3252       
232.3732 289.0331       122.7821 45.78691 11.95879 31.44146 8.899910 14.34545 
14.90708 
1 1 1 13  38  24 o 18.08113 6.114618  -72.66965      121.3438 -30.57697      
213.8998 -92.64417      147.3484 20.00191 9.477442 16.16036 7.728668 3.841555 
12.22924 
1 1 1 13  39  15 o 42.25055 6.705464  503.4858       114.0846 671.8438       
186.2182 402.3301       144.3446 47.67848 9.640071 36.82262 9.323198 10.85586 
13.41093 
1 1 1 13  39  16 o 20.66372 6.354328  81.44098       101.5836 48.58024       
171.8110 99.10252       125.9583 20.44678 9.274288 20.88065 8.688930 
-0.4338665     12.70866 
1 1 1 13  39  17 o 24.57495 6.695483  146.8397       97.07358 300.5069       
164.6012 64.89136       120.2022 29.83756 10.52437 19.31234 8.279835 10.52522 
13.39097 
1 1 1 14  -27 0  o 21.90726 6.078126  88.74808       97.25851 217.9743       
126.3247 -99.34766      152.4061 27.29862 9.248281 16.51589 7.889472 10.78273 
12.15625 
1 1 1 14  -27 1  o 22.47198 6.704316  121.9530       106.2347 129.6297       
131.5004 107.5293       180.2523 22.45269 9.052380 22.49127 9.891705 
-0.3858376E-01 13.40863 
1 1 1 14  -27 2  o 52.94545 5.495625  718.9592       119.5469 639.0620       
151.5310 850.6575       194.5476 49.88691 7.234956 56.00399 8.274237 -6.117085 
10.99125 
1 1 1 14  -26 0  o 22.44490 6.255451  64.29771       93.61865 -45.26276      
121.3851 225.1447       147.0770 16.45181 7.575760 28.43799 9.956431 -11.98618 
12.51090 
1 1 1 14  -26 1  o 47.60172 6.222095  623.9417       116.2165 758.7629       
153.4863 442.7860       177.9165 56.51174 6.469222 38.69171 10.63048 17.82003 
12.44419 
1 1 1 14  -26 2  o 30.53199 6.877144  245.4842       107.3113 111.5447       
139.6175 438.8329       167.7476 22.47117 9.229150 38.59281 10.19820 -16.12164 
13.75429 
1 1 1 14  -26 3  o 35.17648 6.976275  369.6620       107.3035 405.3137       
155.5325 337.2791       148.2309 36.90707 9.850667 33.44589 9.881195 3.461174 
13.95255 
1 1 1 14  -26 4  o 16.55915 5.592974  -111.2395      108.5632 -189.0929      
146.3353 -15.93693      161.9058 14.47529 7.095738 18.64300 8.647306 -4.167711 
11.18595 
1 1 1 14  -26 5  o 20.80843 6.476023  76.86082       109.8818 92.68826       
146.8764 56.74215       165.5948 21.12288 9.106577 20.49397 9.210091 0.6289024 
12.95205 
1 1 1 14  -25 0  o 81.99870 4.109177  1536.821       138.0294 1572.702       
178.6553 1483.685       217.4064 83.94444 5.069265 80.05297 6.468686 3.891472 
8.218354 
1 1 1 14  -25 1  o 16.52685 5.480340  -88.81484      96.43201 -67.27927      
137.6919 -109.5461      135.0961 17.12171 7.954282 15.93199 7.540946 1.189719 
10.96068 
1 1 1 14  -25 2  o 31.40183 6.897353  267.5882       98.86063 256.3746       
126.8250 284.9535       157.8243 30.99661 9.134317 31.80705 10.33722 
-0.8104382     13.79471 
1 1 1 14  -25 3  o 27.52747 6.804966  197.7693       100.3780 280.6802       
145.3887 122.2515       138.7554 31.61680 9.879883 23.43814 9.360457 8.178661 
13.60993 
1 1 1 14  -25 4  o 34.30750 6.944140  339.1542       105.4107 358.9359       
137.5745 311.0296       164.0397 36.32234 9.045326 32.29264 10.53881 4.029697 
13.88828 
1 1 1 14  -25 5  f 35.46384 6.888166  365.9766       106.0520 332.9435       
149.4796 399.4559       150.4859 33.55253 9.925909 37.37515 9.553201 -3.822624 
13.77633 
1 1 1 14  -25 6  o 19.91700 6.401045  21.84988       110.6057 -3.363655      
135.7757 71.58881       190.7012 17.92352 8.161688 21.91048 9.863080 -3.986961 
12.80209 
1 1 1 14  -25 7  o 20.97732 5.974681  36.35954       109.2883 229.4861       
132.2545 -379.4614      194.0630 27.37158 9.454892 14.58305 7.307002 12.78853 
11.94936 
1 1 1 14  -24 0  o 28.80367 6.759815  213.0181       99.31020 264.4029       
127.6720 134.2958       158.0254 32.23085 9.060000 25.37649 10.03478 6.854366 
13.51963 
1 1 1 14  -24 1  o 62.47455 4.788417  918.4007       121.5083 997.4100       
158.6909 806.4354       188.9100 66.63461 5.672483 58.31449 7.716132 8.320126 
9.576834 
1 1 1 14  -24 2  o 75.92812 4.085742  1254.128       124.9188 1139.222       
153.4848 1479.590       214.9965 71.55952 5.108801 80.29671 6.377563 -8.737190 
8.171484 
1 1 1 14  -24 3  o 34.95398 6.682927  334.3137       102.6620 387.2733       
132.6438 255.1959       162.1257 39.28534 8.299130 30.62262 10.47714 8.662720 
13.36585 
1 1 1 14  -24 4  o 27.47493 6.678756  196.4097       92.98767 194.5714       
124.5969 198.7209       139.7049 27.38472 9.184816 27.56513 9.698571 
-0.1804047     13.35751 
1 1 1 14  -24 5  o 28.64842 7.120784  224.5574       109.1673 276.8946       
147.3268 160.8316       162.5676 31.55952 9.961646 25.73731 10.17781 5.822212 
14.24157 
1 1 1 14  -24 6  f 21.08751 6.248394  67.44666       95.45074 120.7030       
132.7601 10.45960       137.3314 23.12684 9.181083 19.04819 8.478057 4.078655 
12.49679 
1 1 1 14  -24 7  o 18.70865 5.975490  -1.120031      100.6809 36.27843       
132.4812 -52.24805      154.9019 19.42519 8.512069 17.99211 8.388719 1.433079 
11.95098 
1 1 1 14  -24 8  o 36.52403 7.104701  417.8795       111.9098 438.7835       
135.7701 373.5797       197.6465 40.34193 8.300580 32.70612 11.53289 7.635811 
14.20940 
1 1 1 14  -24 9  o 23.54460 6.678200  133.4545       96.86932 76.86263       
119.1153 243.9772       166.4624 19.82067 8.359200 27.26852 10.41716 -7.447853 
13.35640 
1 1 1 14  -23 0  o 50.04755 4.885197  561.1946       101.8536 498.0873       
134.4065 646.3187       156.1012 46.83294 6.835811 53.26217 6.980853 -6.429230 
9.770394 
1 1 1 14  -23 1  o 55.57647 4.714381  716.8313       106.7482 801.9598       
141.6679 605.0046       162.3705 60.09225 5.615316 51.06069 7.574284 9.031559 
9.428761 
1 1 1 14  -23 2  o 22.79178 6.511981  88.25912       93.45389 89.28094       
116.3900 86.40495       156.7852 22.00794 8.640656 23.57563 9.744880 -1.567686 
13.02396 
1 1 1 14  -23 3  o 42.86055 6.035801  451.2670       103.8429 460.2470       
132.9761 437.2315       166.2448 44.57587 7.105504 41.14523 9.758862 3.430645 
12.07160 
1 1 1 14  -23 4  o 41.43071 6.047128  450.9618       102.0987 570.0499       
134.6246 289.7343       156.6426 49.91809 6.423733 32.94333 10.24728 16.97476 
12.09426 
1 1 1 14  -23 5  o 39.90076 6.001566  436.4150       104.9229 639.5537       
140.2188 177.9566       158.1631 52.79910 6.325588 27.00243 10.20109 25.79667 
12.00313 
1 1 1 14  -23 6  o 16.89087 5.629010  -103.4560      103.4922 -114.2138      
140.6227 -90.74413      152.8624 16.24241 7.690599 17.53934 8.221782 -1.296925 
11.25802 
1 1 1 14  -23 7  o 50.75990 5.266313  632.2478       107.1076 687.5116       
143.3379 562.3770       161.1715 54.44162 6.271206 47.07819 8.462161 7.363422 
10.53263 
1 1 1 14  -23 8  o 22.28658 6.543717  82.69933       105.3713 155.0140       
143.1548 -2.806956      155.6653 24.96085 9.627467 19.61231 8.865260 5.348536 
13.08743 
1 1 1 14  -23 9  o 46.96675 6.604384  583.6187       121.6420 543.7839       
149.4385 661.8430       209.4123 46.60153 7.638066 47.33196 10.77643 
-0.7304306     13.20877 
1 1 1 14  -23 10 o 18.91490 6.080291  3.716682       107.4130 62.70481       
130.5133 -120.1109      189.0955 19.91574 8.585218 17.91407 8.612421 2.001665 
12.16058 
1 1 1 14  -23 11 o 21.61681 6.641507  70.23148       102.7426 12.64464       
122.1022 209.8830       190.1449 17.56050 7.899263 25.67311 10.67896 -8.112604 
13.28301 
1 1 1 14  -22 0  o 52.13071 4.665117  605.9275       99.84058 603.6230       
128.6013 609.4238       158.4034 52.33652 5.852773 51.92489 7.266245 0.4116249 
9.330235 
1 1 1 14  -22 1  o 65.62271 4.106359  957.3903       111.3618 995.6940       
147.2383 906.1896       170.2307 67.48888 5.196483 63.75655 6.359663 3.732327 
8.212718 
1 1 1 14  -22 2  o 48.04877 5.378093  513.0252       103.7077 396.1877       
133.0056 694.2200       165.6347 40.82525 8.046565 55.27229 7.137811 -14.44704 
10.75619 
1 1 1 14  -22 3  o 26.59759 6.845204  144.8824       99.02676 87.29556       
127.2362 233.3574       157.7100 22.57891 8.980339 30.61626 10.33348 -8.037350 
13.69041 
1 1 1 14  -22 4  o 18.95477 5.709530  -28.10494      91.09534 107.4659       
124.0364 -186.8560      134.2222 23.30768 8.967426 14.60187 7.069668 8.705813 
11.41906 
1 1 1 14  -22 5  o 31.88330 6.410374  260.7217       96.94315 361.1652       
131.4935 141.1198       143.4869 38.33019 8.400893 25.43642 9.684863 12.89377 
12.82075 
1 1 1 14  -22 6  o 23.02962 6.638953  90.05227       100.2173 82.54923       
130.9565 100.6568       155.6878 22.16620 8.993638 23.89305 9.768177 -1.726849 
13.27791 
1 1 1 14  -22 7  o 49.85438 5.321923  578.3735       109.7322 530.6970       
141.4642 650.3951       173.8703 47.65368 7.070843 52.05507 7.955792 -4.401390 
10.64385 
1 1 1 14  -22 8  o 26.71014 6.178114  146.5192       95.82270 -20.14804      
133.2551 324.9854       137.8913 18.23119 8.223698 35.18910 9.222102 -16.95791 
12.35623 
1 1 1 14  -22 9  o 28.49382 6.638648  168.4363       105.1255 12.66748       
136.8615 392.5935       164.1790 19.34923 8.553750 37.63841 10.15480 -18.28918 
13.27730 
1 1 1 14  -22 10 o 37.57983 6.718383  388.0146       106.4104 354.1591       
152.5750 420.0783       148.4826 35.52921 9.877454 39.63046 9.109479 -4.101242 
13.43677 
1 1 1 14  -22 11 o 28.46885 7.208353  242.9869       110.2586 267.2054       
132.4490 188.3202       198.9926 30.64393 9.400801 26.29377 10.93007 4.350157 
14.41671 
1 1 1 14  -22 12 o 27.31102 7.266396  220.8148       107.4417 190.3666       
129.5947 287.7507       192.1481 25.61418 9.307662 29.00786 11.16107 -3.393679 
14.53279 
1 1 1 14  -22 13 o 28.75197 7.301044  259.7360       111.5382 191.9099       
143.4717 363.3550       177.3322 25.14089 9.651665 32.36304 10.95748 -7.222149 
14.60209 
1 1 1 14  -21 0  o 34.42564 6.043378  291.1465       88.98947 360.2217       
117.0508 196.5361       136.9881 39.66073 7.303367 29.19055 9.630708 10.47018 
12.08676 
1 1 1 14  -21 1  o 51.45146 5.093812  591.0173       106.2066 589.0543       
134.0332 594.3294       174.1050 51.75523 6.168496 51.14770 8.107858 0.6075287 
10.18762 
1 1 1 14  -21 2  o 22.51245 6.489644  68.79167       95.50524 84.06263       
121.4259 44.02016       154.6516 22.48741 8.826656 22.53750 9.515884 
-0.5009651E-01 12.97929 
1 1 1 14  -21 3  o 79.91289 3.879998  1423.372       127.2251 1567.547       
169.3018 1236.335       192.8329 85.06426 4.740625 74.76151 6.143615 10.30275 
7.759996 
1 1 1 14  -21 4  o 27.73421 6.439306  174.6040       98.70054 280.8182       
128.4370 21.40901       154.2485 33.94532 8.902281 21.52312 9.306344 12.42220 
12.87861 
1 1 1 14  -21 5  o 40.48037 6.433209  401.4223       104.9575 398.9379       
134.9670 405.2234       166.9454 40.88276 8.152184 40.07798 9.954226 0.8047791 
12.86642 
1 1 1 14  -21 6  o 46.98622 5.654561  527.9220       105.8507 558.7139       
138.2025 484.2260       164.6337 49.69531 6.624018 44.27713 9.166167 5.418179 
11.30912 
1 1 1 14  -21 7  o 34.22811 6.435258  296.4923       94.32558 316.7296       
128.3128 272.6967       139.1366 35.74715 8.634225 32.70908 9.544650 3.038074 
12.87052 
1 1 1 14  -21 8  o 41.69677 6.264937  427.9645       108.8796 315.0755       
148.2926 559.9971       160.3741 34.76688 9.761500 48.62666 7.855626 -13.85978 
12.52987 
1 1 1 14  -21 9  o 51.37320 6.178168  696.1512       121.2918 877.9964       
160.2526 452.2637       185.5877 62.08024 6.148552 40.66615 10.71795 21.41409 
12.35634 
1 1 1 14  -21 10 o 19.05472 6.058209  -13.60162      101.7521 1.970596       
136.7562 -32.91307      152.2928 19.12962 8.491523 18.97983 8.643010 0.1497860 
12.11642 
1 1 1 14  -21 11 o 64.54194 4.766598  980.7125       126.9267 980.1038       
165.6122 981.5792       197.5966 65.20034 6.050115 63.88353 7.367355 1.316807 
9.533195 
1 1 1 14  -21 12 o 27.58468 7.024957  195.4846       106.6913 113.8986       
141.2787 303.7665       162.7597 23.00207 9.338111 32.16729 10.49761 -9.165222 
14.04991 
1 1 1 14  -21 13 o 20.32307 6.311237  48.89066       100.1403 33.09158       
125.8917 76.11008       165.2420 18.86939 8.282889 21.77674 9.524736 -2.907349 
12.62247 
1 1 1 14  -21 14 o 23.86382 7.137632  149.0631       120.8232 120.0591       
154.8473 194.2052       193.1815 22.41893 9.496604 25.30871 10.65822 -2.889780 
14.27526 
1 1 1 14  -20 0  o 45.02240 5.248829  458.5203       95.04015 486.5617       
125.9375 421.4230       144.8530 47.24923 6.348649 42.79556 8.360353 4.453667 
10.49766 
1 1 1 14  -20 1  o 62.12280 4.430113  845.9611       113.9533 868.1093       
150.6133 816.3085       174.2714 63.29249 5.668031 60.95311 6.810067 2.339382 
8.860226 
1 1 1 14  -20 2  o 61.71141 4.311116  828.4630       109.3098 816.7982       
140.5198 846.3384       173.9512 61.40196 5.451003 62.02085 6.680528 
-0.6188889     8.622231 
1 1 1 14  -20 3  o 27.78099 6.770239  144.3383       97.83288 65.37656       
124.2818 272.9861       158.6354 21.89955 8.812381 33.66244 10.28039 -11.76289 
13.54048 
1 1 1 14  -20 4  o 46.63747 5.873984  541.3804       106.2695 715.4498       
141.9768 319.6115       160.2531 57.14567 5.917729 36.12927 10.14866 21.01640 
11.74797 
1 1 1 14  -20 5  o 20.52618 6.260524  8.231503       100.1658 58.10265       
133.5156 -55.97390      151.4932 21.92622 9.018615 19.12614 8.685692 2.800074 
12.52105 
1 1 1 14  -20 6  o 22.90072 6.271124  64.18476       98.69700 180.2846       
128.4544 -103.1281      154.2048 27.79107 9.325912 18.01037 8.386617 9.780703 
12.54225 
1 1 1 14  -20 7  o 34.23100 6.800254  280.5468       101.5939 216.0875       
131.7246 375.1843       159.6082 29.77275 9.421630 38.68926 9.808502 -8.916517 
13.60051 
1 1 1 14  -20 8  f 25.90946 6.759990  144.4018       98.25057 191.6125       
142.5409 101.6690       135.6124 28.25331 9.810269 23.56561 9.303144 4.687702 
13.51998 
1 1 1 14  -20 9  o 37.17372 6.224102  347.9886       96.01627 392.0351       
130.1932 295.4648       142.1711 40.33377 7.972176 34.01367 9.560451 6.320103 
12.44820 
1 1 1 14  -20 10 o 70.45923 4.380081  1123.811       128.9619 1106.068       
173.7595 1145.569       192.4249 70.07912 5.905830 70.83935 6.470054 
-0.7602310     8.760161 
1 1 1 14  -20 11 o 85.45715 4.225940  1665.589       150.1503 1725.313       
201.7251 1591.394       224.8397 87.69781 5.478885 83.21651 6.435534 4.481300 
8.451880 
1 1 1 14  -20 12 o 29.51488 6.823807  207.3260       104.5591 88.71274       
137.7419 368.6091       160.6179 22.33509 9.169044 36.69468 10.10871 -14.35958 
13.64761 
1 1 1 14  -20 13 o 54.45415 5.629064  695.4646       121.1590 497.6890       
154.2525 1014.001       195.7607 43.90592 8.676955 65.00237 7.173275 -21.09645 
11.25813 
1 1 1 14  -20 14 o 27.90982 7.882231  223.3797       142.1505 156.2365       
204.5770 286.0615       197.6635 25.57101 10.87703 30.24863 11.41089 -4.677620 
15.76446 
1 1 1 14  -20 15 o 31.12925 8.826155  366.5371       170.1346 409.2650       
314.0584 348.7893       202.4079 30.78613 13.29499 31.47237 11.61238 
-0.6862335     17.65231 
1 1 1 14  -20 16 o 26.23391 7.836783  212.6682       140.7917 328.0995       
244.6091 155.4814       172.1704 28.76000 12.04682 23.70782 10.02670 5.052189 
15.67357 
1 1 1 14  -19 0  o 16.94624 5.487298  -73.24270      87.30877 -51.81124      
113.8411 -103.8534      136.0535 16.78508 7.584618 17.10739 7.931919 
-0.3223152     10.97460 
1 1 1 14  -19 1  o 53.83502 4.548281  653.7347       97.65409 736.9409       
125.7941 527.5417       154.9174 58.64003 5.109601 49.03002 7.525916 9.610008 
9.096561 
1 1 1 14  -19 2  o 71.77345 4.278810  1147.819       123.5155 1257.648       
158.8689 979.9808       196.3921 76.60638 4.939637 66.94052 6.988050 9.665863 
8.557620 
1 1 1 14  -19 3  f 39.04446 6.135387  336.8302       94.27463 294.3946       
115.9539 419.5830       161.9242 35.78535 7.928041 42.30358 9.365793 -6.518230 
12.27077 
1 1 1 14  -19 4  o 54.46079 4.425920  639.8028       99.95401 603.1158       
130.0673 692.7187       156.2086 52.69665 5.879039 56.22493 6.617550 -3.528282 
8.851840 
1 1 1 14  -19 5  o 33.42517 6.607638  259.8566       96.87823 206.0563       
129.8201 327.4711       145.5358 29.78297 9.341744 37.06738 9.347477 -7.284414 
13.21528 
1 1 1 14  -19 6  o 88.32852 3.990400  1664.932       144.2236 1550.413       
181.9904 1858.280       236.4715 84.61729 5.122835 92.03976 6.119618 -7.422462 
7.980800 
1 1 1 14  -19 7  o 41.51471 5.825455  404.1629       97.89182 388.7226       
135.7756 420.8777       141.2676 40.66799 8.239765 42.36143 8.237110 -1.693436 
11.65091 
1 1 1 14  -19 8  o 32.20356 6.356711  214.1826       96.86714 81.24596       
123.2918 428.5957       156.5805 22.34290 8.854638 42.06422 9.122856 -19.72132 
12.71342 
1 1 1 14  -19 9  o 23.20812 6.532884  67.74471       104.0620 169.3685       
140.9977 -53.83521      154.2216 27.23928 9.727159 19.17696 8.723342 8.062319 
13.06577 
1 1 1 14  -19 10 o 65.36626 4.346087  942.9038       117.2941 884.0955       
150.9191 1032.615       186.4013 63.11802 5.695236 67.61450 6.566444 -4.496483 
8.692175 
1 1 1 14  -19 11 o 47.70121 5.382945  531.5194       107.7403 551.6603       
152.6624 511.5333       152.0750 48.69271 7.467741 46.70972 7.754819 1.982990 
10.76589 
1 1 1 14  -19 12 o 60.73305 6.141374  936.1537       142.0726 758.5939       
228.0912 1048.712       181.6041 53.68124 10.49495 67.78487 6.381371 -14.10363 
12.28275 
1 1 1 14  -19 13 o 23.76878 6.796562  95.29699       115.8106 -87.84671      
198.6063 189.6543       142.5557 20.17183 9.440676 27.36574 9.779912 -7.193911 
13.59312 
1 1 1 14  -19 14 o 37.22176 7.455374  394.3549       123.0939 342.9213       
181.4434 438.2124       167.5479 34.35855 11.07650 40.08498 9.982059 -5.726421 
14.91075 
1 1 1 14  -19 15 o 46.89524 6.935379  569.8824       128.2055 750.5029       
216.3813 472.1740       159.1484 51.91138 10.29434 41.87910 9.296477 10.03228 
13.87076 
1 1 1 14  -19 16 o 28.01217 8.268276  243.1132       158.1691 283.4083       
262.3781 220.1107       198.2392 28.91263 12.30888 27.11172 11.04305 1.800911 
16.53655 
1 1 1 14  -19 17 o 22.78129 7.193741  80.31928       144.0610 225.6920       
213.2054 -41.81187      195.4205 26.23366 11.12948 19.32893 9.117799 6.904728 
14.38748 
1 1 1 14  -18 0  o 60.49689 4.125209  789.1033       103.6212 820.2181       
138.4555 749.4841       156.2353 61.96569 5.322061 59.02808 6.304368 2.937614 
8.250418 
1 1 1 14  -18 1  o 91.24245 3.999791  1800.198       147.6312 1848.664       
186.9978 1720.011       240.5300 93.15320 4.781452 89.33170 6.413347 3.821495 
7.999581 
1 1 1 14  -18 2  o 161.6061 4.781244  5720.096       319.5303 6155.741       
428.0918 5172.073       480.1424 169.1409 6.028502 154.0713 7.422826 15.06952 
9.562489 
1 1 1 14  -18 3  o 49.44209 5.056612  515.7996       100.6199 477.0259       
123.7596 591.4068       172.8193 46.99426 6.272708 51.88992 7.932870 -4.895660 
10.11322 
1 1 1 14  -18 4  o 81.57593 3.995004  1438.872       134.9851 1475.369       
178.4092 1390.007       206.4393 82.97171 5.121631 80.18015 6.132627 2.791565 
7.990008 
1 1 1 14  -18 5  o 152.7756 5.684912  5203.230       354.2455 5302.944       
454.0362 5048.097       566.3283 155.6918 6.946177 149.8593 9.001307 5.832474 
11.36982 
1 1 1 14  -18 6  o 40.53941 5.849535  379.0836       96.24578 330.1522       
134.6361 430.2213       137.6377 37.64080 8.689351 43.43802 7.833481 -5.797215 
11.69907 
1 1 1 14  -18 7  o 26.75197 6.218688  138.7607       92.58208 265.8453       
128.3697 1.002829       133.6517 33.56823 8.944580 19.93571 8.641920 13.63252 
12.43738 
1 1 1 14  -18 8  o 46.59022 5.445314  494.0011       102.9516 408.9160       
143.0158 585.5145       148.3200 41.79183 8.446551 51.38861 6.874703 -9.596786 
10.89063 
1 1 1 14  -18 9  o 26.16242 6.559352  141.8757       94.62669 212.0562       
131.1005 65.54859       136.7211 29.88424 9.390528 22.44059 9.160698 7.443645 
13.11870 
1 1 1 14  -18 10 o 46.29132 5.167948  485.7511       100.2269 496.9803       
138.5657 473.4297       145.1478 46.98138 7.025078 45.60126 7.581492 1.380123 
10.33590 
1 1 1 14  -18 11 o 80.36012 5.314935  1489.678       177.4727 1395.932       
264.3251 1566.628       239.4788 77.46896 8.127028 83.25128 6.851682 -5.782326 
10.62987 
1 1 1 14  -18 12 o 25.57838 6.781767  -24.91143      121.6032 355.6149       
194.6511 -268.4855      155.7328 36.35309 11.44618 14.80368 7.276975 21.54941 
13.56353 
1 1 1 14  -18 13 o 50.38193 6.511647  625.3566       134.5964 697.1180       
199.3402 565.2261       182.4724 53.53481 8.869103 47.22905 9.536520 6.305752 
13.02329 
1 1 1 14  -18 14 o 52.88895 6.609246  709.8478       138.7726 690.7064       
221.7723 722.1660       177.9070 50.65638 10.75308 55.12152 7.687639 -4.465145 
13.21849 
1 1 1 14  -18 15 o 31.97195 7.417898  277.4528       112.7975 318.5602       
180.9094 251.3082       144.2753 33.39374 11.06745 30.55016 9.879901 2.843582 
14.83580 
1 1 1 14  -18 16 o 24.93036 6.853784  88.03936       131.0897 -251.1934      
212.1133 297.6785       166.7459 17.74055 8.660178 32.12017 10.62538 -14.37962 
13.70757 
1 1 1 14  -18 17 o 31.31642 8.198398  316.5310       147.7961 227.2175       
214.5867 397.1358       203.8566 27.83142 11.43808 34.80142 11.74841 -6.969995 
16.39680 
1 1 1 14  -18 18 o 20.74742 6.780028  7.141241       139.9661 91.29774       
199.3286 -74.71366      196.5839 22.58125 10.12761 18.91358 9.017022 3.667671 
13.56006 
1 1 1 14  -17 0  o 125.1381 4.038537  3385.382       205.5693 3531.769       
263.6815 3158.528       328.2478 128.9157 4.871861 121.3605 6.442367 7.555161 
8.077074 
1 1 1 14  -17 1  o 183.3142 5.486943  7322.681       415.1234 7508.404       
544.2031 7064.220       641.9867 186.6890 6.943259 179.9395 8.498077 6.749527 
10.97389 
1 1 1 14  -17 2  o 25.76906 6.579823  121.6484       90.18587 98.29436       
116.6988 156.2784       142.1059 23.67301 8.800785 27.86511 9.783787 -4.192099 
13.15965 
1 1 1 14  -17 3  o 54.06251 4.755202  606.8278       104.9058 536.9742       
131.0174 731.6183       175.1160 49.98952 6.242682 58.13550 7.174728 -8.145977 
9.510405 
1 1 1 14  -17 4  o 48.19828 5.170887  518.1987       99.59735 552.5303       
130.7425 470.7276       153.7392 50.68847 6.143683 45.70810 8.319102 4.980370 
10.34177 
1 1 1 14  -17 5  o 29.36594 6.284184  167.8450       92.25549 52.50152       
122.7603 317.5163       139.8398 21.59658 8.730189 37.13530 9.041441 -15.53872 
12.56837 
1 1 1 14  -17 6  o 72.45248 4.189680  1138.973       125.0514 1173.991       
163.5100 1089.629       194.0960 74.00317 5.262779 70.90179 6.520494 3.101379 
8.379360 
1 1 1 14  -17 7  o 70.07671 4.188309  1049.818       120.8713 1003.400       
155.0358 1121.760       193.0128 68.29288 5.407264 71.86054 6.397594 -3.567665 
8.376617 
1 1 1 14  -17 8  o 70.37231 4.178021  1068.823       122.6300 1029.778       
163.1352 1119.548       185.9450 69.00594 5.630958 71.73867 6.173796 -2.732727 
8.356042 
1 1 1 14  -17 9  o 44.98562 6.891189  490.6291       124.7659 418.0367       
204.9381 533.3789       157.2696 41.07978 11.45645 48.89146 7.661834 -7.811676 
13.78238 
1 1 1 14  -17 10 o 28.32589 7.262993  170.3486       109.5919 189.6383       
174.7327 157.8398       140.7080 29.53202 10.80021 27.11976 9.713894 2.412254 
14.52599 
1 1 1 14  -17 11 o 50.52696 6.778197  626.7970       137.8300 499.1915       
206.6425 729.0637       184.9917 44.39831 11.10356 56.65561 7.777327 -12.25730 
13.55639 
1 1 1 14  -17 12 o 18.31863 6.006860  -111.0900      113.1163 -204.9529      
165.2285 -28.29160      155.1848 16.62378 8.006345 20.01349 8.957005 -3.389709 
12.01372 
1 1 1 14  -17 13 o 41.10612 7.303956  392.4700       123.1982 615.7176       
212.6262 279.6439       151.1570 48.98952 10.63618 33.22273 10.01313 15.76679 
14.60791 
1 1 1 14  -17 14 o 33.27675 7.705276  288.6940       123.4304 332.0346       
186.8666 255.1493       164.3980 35.11646 11.23281 31.43704 10.55031 3.679422 
15.41055 
1 1 1 14  -17 15 o 63.40418 5.650889  960.8351       148.9717 938.2556       
224.1037 978.7126       199.4078 62.14535 8.589372 64.66302 7.345262 -2.517666 
11.30178 
1 1 1 14  -17 16 o 22.00981 6.700976  11.25446       126.7579 -237.6904      
209.4951 155.0303       159.2081 18.11550 8.786912 25.90412 10.11941 -7.788614 
13.40195 
1 1 1 14  -17 17 o 40.84954 6.855537  464.9882       119.4514 351.3467       
186.6664 543.7951       155.4462 34.52697 11.24217 47.17211 7.849027 -12.64515 
13.71107 
1 1 1 14  -17 18 o 30.83761 7.504698  293.6835       124.2758 182.9379       
219.3024 346.0711       150.8324 26.76454 11.31767 34.91068 9.858618 -8.146143 
15.00940 
1 1 1 14  -17 19 o 26.97487 7.413847  220.7162       118.6004 246.6590       
188.4315 203.6963       152.6242 27.72381 10.95940 26.22592 9.987595 1.497887 
14.82769 
1 1 1 14  -17 20 o 28.58427 7.772018  270.8539       127.0944 373.8962       
211.8761 212.9372       158.8460 31.23225 11.80457 25.93630 10.11283 5.295948 
15.54404 
1 1 1 14  -16 0  o 89.95957 4.063323  1746.622       143.7103 1794.918       
176.3084 1651.008       248.0717 92.06695 4.561319 87.85220 6.725826 4.214752 
8.126645 
1 1 1 14  -16 1  o 108.2213 4.229814  2478.082       192.1822 2478.082       
192.1822 0.000000       0.000000 108.2213 4.229814 ?        ?        ? ? 
1 1 1 14  -16 2  o 21.64571 6.167427  14.05560       90.18826 -65.96301      
117.5692 128.4715       140.5857 16.80018 7.635323 26.49125 9.687645 -9.691074 
12.33485 
1 1 1 14  -16 3  o 86.10657 3.885841  1593.905       136.7281 1644.637       
176.0466 1516.784       217.0558 88.00937 4.764527 84.20377 6.139895 3.805595 
7.771681 
1 1 1 14  -16 4  o 136.4585 4.863975  4109.034       266.2556 4405.203       
338.4754 3628.283       431.2377 143.6415 5.612653 129.2754 7.945510 14.36610 
9.727949 
1 1 1 14  -16 5  o 59.83913 4.553861  750.9419       112.1058 681.8380       
142.4881 863.2188       181.6237 56.40349 6.017190 63.27478 6.836959 -6.871284 
9.107721 
1 1 1 14  -16 6  o 90.08087 4.190036  1747.476       149.4720 1761.490       
183.7614 1720.074       256.9565 90.94667 4.812697 89.21507 6.860289 1.731606 
8.380073 
1 1 1 14  -16 7  o 28.25349 6.742713  169.7507       94.22423 169.7145       
123.9798 169.8003       144.9766 27.97120 9.162045 28.53579 9.895134 
-0.5645943     13.48543 
1 1 1 14  -16 8  o 80.00406 4.621181  1378.885       149.3833 1418.275       
248.6061 1356.625       186.8840 80.55962 7.350478 79.44850 5.602832 1.111115 
9.242362 
1 1 1 14  -16 9  o 61.33564 4.920684  825.0405       126.1310 788.2996       
184.6580 857.1749       172.6946 59.91366 7.341137 62.75763 6.554405 -2.843964 
9.841368 
1 1 1 14  -16 10 o 110.1768 4.208969  2620.174       193.0004 2754.049       
295.7544 2520.879       254.7091 112.4143 6.266582 107.9393 5.620645 4.475044 
8.417938 
1 1 1 14  -16 11 o 48.63118 6.223234  554.3656       122.4311 469.0063       
179.6470 628.3942       167.2993 44.18519 9.927178 53.07717 7.507709 -8.891983 
12.44647 
1 1 1 14  -16 12 o 82.49290 4.743728  1477.803       162.3373 1724.334       
254.6895 1309.109       210.6803 88.04501 6.890128 76.94080 6.522111 11.10422 
9.487455 
1 1 1 14  -16 13 o 43.39986 6.686490  463.6937       116.5448 430.5435       
184.4605 485.7194       150.3572 41.34446 10.58209 45.45528 8.176546 -4.110821 
13.37298 
1 1 1 14  -16 14 o 27.53329 7.038826  169.0400       114.4833 4.958433       
196.2758 253.6470       140.9419 23.10542 10.22513 31.96116 9.676105 -8.855738 
14.07765 
1 1 1 14  -16 15 o 41.77195 7.305054  443.8013       127.1619 532.8999       
193.2320 375.7407       168.8851 45.49527 10.34727 38.04863 10.31451 7.446648 
14.61011 
1 1 1 14  -16 16 o 28.59098 7.397458  204.1413       121.4291 86.24188       
208.4289 264.7188       149.4025 25.31186 10.87920 31.87011 10.02659 -6.558245 
14.79492 
1 1 1 14  -16 17 o 53.10750 6.866754  749.6844       144.1548 582.5151       
220.1717 875.1178       190.7173 45.42444 11.52253 60.79056 7.472654 -15.36612 
13.73351 
1 1 1 14  -16 18 o 33.84702 7.727897  319.6622       127.1386 427.0354       
191.2165 234.5815       170.2130 38.37979 11.18603 29.31425 10.66557 9.065538 
15.45579 
1 1 1 14  -16 19 o 26.19009 7.474144  169.9299       127.6433 221.0275       
185.0642 123.5652       176.2854 28.07455 10.92191 24.30563 10.20603 3.768929 
14.94829 
1 1 1 14  -16 20 o 17.45755 5.926656  -137.7032      126.6637 -67.03481      
185.9865 -198.8325      172.9789 18.91420 8.914194 16.00089 7.812690 2.913307 
11.85331 
1 1 1 14  -16 21 o 21.95787 6.608787  -4.815495      131.7188 -339.7043      
192.0318 292.7445       181.0131 14.89349 7.437199 29.02225 10.92668 -14.12876 
13.21757 
1 1 1 14  -15 0  o 32.84405 5.079403  224.7255       96.18292 501.6426       
126.7728 -150.8954      147.6474 48.57007 6.216963 17.11802 8.034346 31.45205 
10.15881 
1 1 1 14  -15 1  f 134.4864 4.842365  3827.066       253.6250 3772.531       
305.2679 3948.606       455.7256 133.3559 5.452430 135.6170 8.004062 -2.261093 
9.684730 
1 1 1 14  -15 2  o 93.00610 6.183758  1842.109       241.4587 0.000000       
0.000000 1842.109       241.4587 ?        ?        93.00610 6.183758 ? ? 
1 1 1 14  -15 3  o 23.79658 6.576643  22.62455       99.83182 -71.86033      
125.7995 183.3437       164.0709 17.36068 7.892191 30.23247 10.52246 -12.87179 
13.15329 
1 1 1 14  -15 4  o 42.54801 5.811511  420.4067       99.06583 534.6147       
132.8455 277.3306       148.6901 50.02593 6.325178 35.07009 9.751245 14.95584 
11.62302 
1 1 1 14  -15 5  o 41.29074 6.318084  402.6844       106.7775 490.0258       
137.7693 271.2914       168.9773 47.77499 6.868671 34.80649 10.60632 12.96851 
12.63617 
1 1 1 14  -15 6  o 40.26640 5.944734  386.1352       98.27648 510.1701       
130.2425 222.1393       149.7604 48.78200 6.359370 31.75079 10.04579 17.03122 
11.88947 
1 1 1 14  -15 7  o 128.9016 4.516340  3437.976       238.9760 4218.255       
391.5919 2974.927       301.6632 139.9984 6.662416 117.8048 6.099306 22.19360 
9.032681 
1 1 1 14  -15 8  o 128.2066 5.798792  3594.303       310.8453 3606.409       
460.8627 3584.200       421.0354 128.1703 8.564564 128.2430 7.819989 
-0.7269287E-01 11.59758 
1 1 1 14  -15 9  o 169.6660 7.041692  6457.219       501.4932 6437.256       
701.9541 6478.029       716.7131 169.5010 9.864101 169.8311 10.05193 
-0.3300781     14.08338 
1 1 1 14  -15 10 o 143.6171 6.111293  4578.244       367.3078 4620.729       
542.1282 4542.191       499.4018 143.9265 8.971856 143.3078 8.300446 0.6186981 
12.22259 
1 1 1 14  -15 11 o 69.54838 4.468296  1033.476       129.1565 1182.963       
200.8210 928.0256       168.6673 73.69791 6.490454 65.39884 6.143020 8.299072 
8.936592 
1 1 1 14  -15 12 o 55.53568 5.682086  659.0657       128.6368 826.9044       
215.8783 566.6617       160.1801 60.56906 8.489444 50.50230 7.554718 10.06676 
11.36417 
1 1 1 14  -15 13 o 68.13772 5.059678  983.9684       140.5614 1253.787       
235.8484 835.3376       175.0458 74.83865 7.506337 61.43678 6.786477 13.40187 
10.11936 
1 1 1 14  -15 14 f 34.33474 7.561225  284.0591       115.9802 317.7734       
200.4171 267.0838       142.2119 35.53354 11.64888 33.13593 9.643240 2.397614 
15.12245 
1 1 1 14  -15 15 f 70.22974 5.479817  1080.469       157.3229 1369.625       
261.6204 916.6792       196.9015 76.98888 8.094028 63.47060 7.389200 13.51827 
10.95963 
1 1 1 14  -15 16 o 27.02308 7.225702  161.5646       112.9006 119.6758       
181.3935 188.0535       144.2461 25.96478 10.56760 28.08139 9.857428 -2.116608 
14.45140 
1 1 1 14  -15 17 o 25.00312 7.406123  67.34915       132.2988 206.7186       
206.5932 -29.53723      172.2517 29.44658 11.52244 20.55966 9.307844 8.886927 
14.81225 
1 1 1 14  -15 18 o 30.65276 8.048543  251.9486       139.1869 208.0758       
215.8481 283.1767       182.1056 29.15053 11.66183 32.15499 11.09585 -3.004463 
16.09709 
1 1 1 14  -15 19 o 32.62358 8.228951  312.7854       145.0423 246.6660       
219.7089 363.8589       193.0994 29.97645 11.83907 35.27071 11.43237 -5.294260 
16.45790 
1 1 1 14  -15 20 o 28.26177 7.968141  206.7039       144.8616 316.8093       
215.1969 115.4675       195.8917 31.90874 11.93342 24.61479 10.56213 7.293953 
15.93628 
1 1 1 14  -15 21 o 59.52602 6.471984  961.6900       161.1571 943.9188       
235.0999 977.4424       221.3429 58.33341 9.599667 60.71863 8.682899 -2.385220 
12.94397 
1 1 1 14  -15 22 o 21.08120 6.976161  15.90188       151.2524 25.82035       
247.2983 9.974182       191.1798 21.94932 10.32543 20.21309 9.383646 1.736225 
13.95232 
1 1 1 14  -14 0  o 90.11323 4.012673  1805.304       142.8213 2041.824       
181.9227 1425.359       230.5755 98.35107 4.405840 81.87539 6.707812 16.47568 
8.025346 
1 1 1 14  -14 1  o 195.0806 5.970830  8009.212       455.2287 7761.792       
547.5598 8562.991       819.1863 190.9837 6.828985 199.1774 9.796336 -8.193649 
11.94166 
1 1 1 14  -14 2  o 48.49590 4.867280  490.4056       97.73770 441.1490       
126.1278 564.4402       154.6307 45.53987 6.596903 51.45193 7.158388 -5.912060 
9.734559 
1 1 1 14  -14 3  o 102.5507 3.683963  2235.024       155.5427 2269.291       
202.0496 2185.174       243.6995 103.6109 4.644870 101.4905 5.719398 2.120407 
7.367926 
1 1 1 14  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  -14 5  f 71.32759 4.361521  1103.300       125.6018 1163.762       
159.9547 1006.065       202.8456 74.08009 5.142999 68.57509 7.045638 5.504997 
8.723042 
1 1 1 14  -14 6  o 33.06490 6.722985  239.2341       116.0797 4.433502       
181.1219 402.9026       151.2181 23.74895 10.17220 42.38085 8.793200 -18.63190 
13.44597 
1 1 1 14  -14 7  o 140.0257 5.853744  4249.339       344.0887 4338.459       
488.6281 4161.672       484.6265 141.5107 8.224518 138.5408 8.332022 2.969818 
11.70749 
1 1 1 14  -14 8  o 109.5412 5.205678  2446.921       221.6048 2977.785       
413.4891 2232.994       262.4851 116.9445 8.421810 102.1380 6.121228 14.80649 
10.41136 
1 1 1 14  -14 9  o 92.04836 4.324702  1811.729       166.6261 1881.286       
247.0999 1753.726       225.6483 93.60880 6.287485 90.48791 5.939674 3.120888 
8.649405 
1 1 1 14  -14 10 o 49.26244 6.177745  521.4880       122.1889 757.8401       
192.1201 360.9438       158.3399 58.96175 7.761104 39.56314 9.613708 19.39860 
12.35549 
1 1 1 14  -14 11 o 73.64378 5.297712  1184.179       160.9803 1185.712       
251.6521 1183.117       209.4380 73.41599 8.164526 73.87159 6.753037 
-0.4556046     10.59542 
1 1 1 14  -14 12 o 88.98616 5.033183  1629.417       179.4646 2085.233       
316.1847 1412.775       217.9799 97.29803 7.740300 80.67429 6.435797 16.62375 
10.06637 
1 1 1 14  -14 13 o 63.25727 5.435244  853.3580       141.0035 1054.354       
231.8445 735.3714       177.6314 68.78790 8.027973 57.72664 7.329336 11.06126 
10.87049 
1 1 1 14  -14 14 o 84.28692 4.707175  1560.862       165.7268 1603.160       
248.3682 1526.915       222.5051 85.13652 6.948661 83.43732 6.351857 1.699203 
9.414350 
1 1 1 14  -14 15 o 65.07485 5.323334  904.6727       141.6479 1233.362       
231.9579 709.2134       178.8730 74.05891 7.460240 56.09079 7.595812 17.96811 
10.64667 
1 1 1 14  -14 16 o 49.87651 6.596056  609.6459       132.2890 509.0396       
199.9266 688.0003       176.4371 44.82378 10.74695 54.92924 7.650810 -10.10546 
13.19211 
1 1 1 14  -14 17 o 58.76199 5.904542  809.9939       145.2323 809.2641       
213.2365 810.6254       198.3495 58.48523 8.684330 59.03875 8.002304 
-0.5535278     11.80908 
1 1 1 14  -14 18 o 69.24902 5.579232  1123.885       160.1899 1145.666       
246.7592 1108.020       210.5992 69.24677 8.487795 69.25126 7.243526 
-0.4486084E-02 11.15846 
1 1 1 14  -14 19 o 38.77186 7.865888  394.5896       130.6260 517.6859       
219.3991 326.9931       162.5827 42.64975 11.84055 34.89397 10.35810 7.755779 
15.73178 
1 1 1 14  -14 20 o 24.06405 7.001002  85.29876       127.7816 -128.0700      
212.1382 206.7977       160.0810 19.95783 9.447948 28.17027 10.33404 -8.212435 
14.00200 
1 1 1 14  -14 21 o 31.24257 7.954127  293.2683       138.1278 206.0169       
217.6348 352.1214       178.7421 27.96963 11.51102 34.51552 10.98039 -6.545895 
15.90825 
1 1 1 14  -14 22 o 23.79227 7.089507  45.25481       137.6459 -187.3198      
190.4274 299.7244       199.1894 17.19916 8.353405 30.38537 11.45710 -13.18621 
14.17901 
1 1 1 14  -14 23 o 34.22212 9.278295  502.1408       184.2911 560.3964       
312.2606 471.0038       228.2896 33.77627 13.82551 34.66797 12.37749 
-0.8917007     18.55659 
1 1 1 14  -13 0  o 162.4384 4.269948  5536.301       277.2855 5410.003       
341.5168 5780.616       474.9962 159.9785 5.084772 164.8983 6.861118 -4.919846 
8.539897 
1 1 1 14  -13 1  o 144.8910 3.937845  4483.751       226.6384 4570.905       
280.1337 4318.621       385.5981 147.1517 4.534413 142.6304 6.439377 4.521301 
7.875689 
1 1 1 14  -13 2  o 180.3702 4.792793  6875.302       349.9532 6765.045       
438.5585 7068.566       580.6354 178.6799 5.846190 182.0606 7.596414 -3.380722 
9.585586 
1 1 1 14  -13 3  o 53.29453 4.585653  619.1888       97.70246 662.6254       
123.4976 546.5207       159.7359 55.96608 5.255992 50.62299 7.515809 5.343082 
9.171306 
1 1 1 14  -13 4  o 83.76019 3.756375  1436.156       126.5372 1326.287       
155.3466 1652.779       218.1313 79.23420 4.669926 88.28619 5.884998 -9.051994 
7.512750 
1 1 1 14  -13 5  o 50.28001 8.214568  541.8085       173.4039 0.000000       
0.000000 541.8085       173.4039 ?        ?        50.28001 8.214568 ? ? 
1 1 1 14  -13 6  o 214.9008 6.629992  9922.185       593.1213 10451.54       
908.4030 9528.811       783.0807 219.5388 9.855719 210.2628 8.870851 9.276047 
13.25998 
1 1 1 14  -13 7  o 165.7471 6.187933  5938.433       424.6638 5910.703       
655.6693 5958.473       557.3655 165.0161 9.464108 166.4782 7.974506 -1.462112 
12.37587 
1 1 1 14  -13 8  o 63.52193 5.457691  794.2114       138.8761 1238.290       
237.5955 563.7594       171.1585 75.90967 7.455251 51.13418 7.972753 24.77549 
10.91538 
1 1 1 14  -13 9  o 35.26752 7.313493  292.9188       123.1629 122.3553       
205.3526 388.7424       153.9195 29.07937 11.45809 41.45568 9.091802 -12.37631 
14.62699 
1 1 1 14  -13 10 o 38.41595 7.128500  310.2242       127.2441 554.6806       
193.2675 123.1843       169.0540 49.43488 9.656541 27.39703 10.48872 22.03785 
14.25700 
1 1 1 14  -13 11 o 113.6732 5.133512  2799.972       244.6754 2843.652       
339.2756 2752.637       353.1903 114.6987 7.045557 112.6477 7.468058 2.050980 
10.26702 
1 1 1 14  -13 12 o 123.5374 5.805657  3348.925       301.1082 3363.253       
427.2283 3334.783       424.4478 123.7935 8.220213 123.2812 8.200654 0.5123291 
11.61131 
1 1 1 14  -13 13 o 42.50771 6.363364  359.7895       116.9143 735.0299       
194.0789 146.0546       146.4742 57.76601 8.002526 27.24941 9.895917 30.51660 
12.72673 
1 1 1 14  -13 14 o 45.87040 6.297126  482.5756       117.4420 466.6219       
179.3115 494.5605       155.4160 44.48991 9.860889 47.25090 7.834415 -2.760994 
12.59425 
1 1 1 14  -13 15 o 75.71095 5.197756  1236.970       162.6635 1482.886       
259.3249 1077.452       208.8612 81.62219 7.567579 69.79972 7.127301 11.82247 
10.39551 
1 1 1 14  -13 16 o 47.91079 6.695852  559.7061       131.0791 344.6068       
186.3139 770.5180       184.4478 37.22440 11.09616 58.59719 7.497523 -21.37280 
13.39170 
1 1 1 14  -13 17 o 61.90627 6.275269  926.9102       152.2582 702.9508       
225.0287 1116.015       206.7784 53.30645 10.42681 70.50610 6.985532 -17.19965 
12.55054 
1 1 1 14  -13 18 o 40.30581 6.605437  360.0744       127.1648 727.1458       
198.4365 104.2857       165.6482 55.65486 8.492576 24.95675 10.11946 30.69811 
13.21087 
1 1 1 14  -13 19 o 37.85193 7.869865  358.6847       132.7008 528.3997       
217.3030 257.7564       167.5761 44.08472 11.58785 31.61914 10.65180 12.46558 
15.73973 
1 1 1 14  -13 20 o 73.78620 5.737634  1292.627       176.8337 1419.072       
267.0983 1193.955       235.9496 76.77550 8.286470 70.79691 7.938274 5.978592 
11.47527 
1 1 1 14  -13 21 o 49.30856 7.151516  648.0226       142.8610 648.4803       
209.6049 647.6255       195.2320 48.87605 10.51612 49.74106 9.694735 
-0.8650093     14.30303 
1 1 1 14  -13 22 o 26.93998 7.437909  181.9086       127.3303 87.63706       
188.8592 260.4716       172.4077 23.70246 10.27380 30.17751 10.75821 -6.475050 
14.87582 
1 1 1 14  -13 23 o 29.27657 7.595850  213.5770       138.4197 12.89815       
185.0932 468.2220       208.5006 20.88166 9.514250 37.67148 11.84343 -16.78982 
15.19170 
1 1 1 14  -13 24 o 29.43793 7.786011  301.0727       129.8535 302.7741       
175.0265 298.9894       193.6659 29.81076 10.81835 29.06511 11.20049 0.7456532 
15.57202 
1 1 1 14  -12 0  o 155.0784 5.142598  5077.523       317.2821 4986.263       
389.2223 5258.276       547.7720 153.3597 6.045155 156.7971 8.321139 -3.437408 
10.28520 
1 1 1 14  -12 1  o 135.3914 4.835465  3957.391       251.2463 4052.478       
301.8590 3742.977       453.2836 138.4382 5.193610 132.3446 8.158022 6.093567 
9.670931 
1 1 1 14  -12 2  o 52.85280 4.338061  612.6287       89.35489 652.8738       
109.9864 534.4977       153.2474 55.60256 4.711566 50.10303 7.285343 5.499527 
8.676122 
1 1 1 14  -12 3  o 110.8583 4.021554  2473.853       172.8501 2287.357       
204.6223 2938.451       322.9656 104.0789 4.682860 117.6376 6.539297 -13.55871 
8.043108 
1 1 1 14  -12 4  f 55.00623 4.600918  607.5602       103.1748 497.6102       
128.6350 805.8720       172.7571 48.42519 6.327162 61.58727 6.681378 -13.16208 
9.201837 
1 1 1 14  -12 5  o 140.1234 5.929039  4194.489       347.9242 4303.500       
513.0594 4101.677       473.4073 141.7290 8.622437 138.5177 8.140493 3.211273 
11.85808 
1 1 1 14  -12 6  o 43.51201 6.859350  416.9241       120.0459 457.7125       
192.0754 390.7786       153.7807 45.14532 10.34963 41.87871 9.004879 3.266609 
13.71870 
1 1 1 14  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  -12 8  o 109.3460 5.225833  2451.813       224.0526 2851.998       
407.9489 2278.963       268.1082 115.1683 8.437112 103.5237 6.168668 11.64463 
10.45167 
1 1 1 14  -12 9  o 89.92332 4.805795  1710.692       180.4181 1895.221       
273.3756 1568.302       240.1422 94.14864 6.916188 85.69800 6.674503 8.450645 
9.611589 
1 1 1 14  -12 10 o 61.47128 5.142057  815.3024       130.4370 791.4294       
202.3044 832.2876       170.6422 60.55909 7.956959 62.38348 6.515353 -1.824390 
10.28411 
1 1 1 14  -12 11 o 22.18638 6.814889  -35.13362      122.6322 -137.7170      
178.2374 57.07929       168.9882 19.60504 9.085633 24.76772 10.15983 -5.162683 
13.62978 
1 1 1 14  -12 12 o 87.15758 4.631106  1612.539       168.3594 1871.753       
254.5684 1411.021       224.4566 93.32040 6.497540 80.99475 6.600800 12.32565 
9.262213 
1 1 1 14  -12 13 o 36.22708 7.597472  292.7581       122.3259 362.8215       
193.6630 246.2488       157.7871 39.41598 11.18391 33.03819 10.28623 6.377796 
15.19494 
1 1 1 14  -12 14 o 79.67097 5.313363  1393.442       176.6066 1228.360       
250.9501 1555.428       248.5855 74.76647 7.994690 84.57549 7.000875 -9.809013 
10.62673 
1 1 1 14  -12 15 o 45.43975 7.476328  498.4545       145.4705 339.5280       
215.1897 632.2050       197.4108 37.75265 12.05184 53.12684 8.850708 -15.37419 
14.95266 
1 1 1 14  -12 16 o 61.97269 5.707944  853.0870       147.9341 960.0817       
219.3804 763.8632       200.3352 65.55877 7.970547 58.38661 8.172692 7.172161 
11.41589 
1 1 1 14  -12 17 o 32.46873 7.868805  246.1819       131.1246 186.5972       
186.5635 304.3504       184.3330 29.71029 11.11119 35.22716 11.14512 -5.516869 
15.73761 
1 1 1 14  -12 18 o 96.50116 5.730552  2120.972       231.4388 2359.896       
341.0821 1917.100       315.0708 101.6177 7.994854 91.38459 8.212139 10.23314 
11.46110 
1 1 1 14  -12 19 o 65.62045 5.534825  963.3890       149.9644 1170.403       
240.1161 831.0011       192.0195 71.05730 8.048845 60.18360 7.599556 10.87370 
11.06965 
1 1 1 14  -12 20 o 33.70049 8.048155  296.8351       136.3970 234.3634       
186.9690 367.9056       199.4217 30.60823 11.17410 36.79274 11.58579 -6.184511 
16.09631 
1 1 1 14  -12 21 o 26.84561 6.896769  121.8850       123.8216 -124.9346      
184.0033 326.1545       167.3932 18.88359 8.890041 34.80764 10.54651 -15.92405 
13.79354 
1 1 1 14  -12 22 o 41.48982 7.353168  499.4052       134.7281 338.8955       
223.6237 590.8647       168.8035 33.74792 12.23021 49.23173 8.166902 -15.48381 
14.70634 
1 1 1 14  -12 23 o 37.37003 7.916409  414.5909       135.0760 359.6950       
190.4057 470.2086       191.6531 34.59296 11.35421 40.14710 11.03450 -5.554142 
15.83282 
1 1 1 14  -12 24 o 26.52470 7.521153  198.2899       129.1791 231.5459       
168.8407 151.3395       200.6143 27.94806 10.54525 25.10135 10.72701 2.846710 
15.04231 
1 1 1 14  -12 25 o 27.85892 8.038480  220.5911       164.3385 -11.09374      
221.9353 501.8347       244.5226 20.71563 9.755725 35.00221 12.77867 -14.28658 
16.07696 
1 1 1 14  -11 0  o 105.7879 3.318543  2366.147       145.0778 2379.989       
189.4928 2346.543       225.5200 106.2188 4.249250 105.3569 5.098507 0.8618851 
6.637085 
1 1 1 14  -11 1  o 45.05394 5.127688  442.0237       90.51258 450.4832       
113.5842 427.3057       149.8199 46.10815 5.867612 43.99972 8.410938 2.108437 
10.25538 
1 1 1 14  -11 2  o 140.5690 4.549294  4209.534       243.8289 4230.076       
290.0799 4160.077       450.0995 141.4911 4.883259 139.6470 7.677113 1.844040 
9.098587 
1 1 1 14  -11 3  o 166.6239 5.838374  5885.971       373.1375 5811.803       
444.0408 6064.197       688.3353 165.4662 6.391969 167.7815 9.771855 -2.315308 
11.67675 
1 1 1 14  -11 4  o 136.4353 4.836236  4005.003       270.6120 4211.178       
352.7460 3710.107       421.8702 140.9600 5.960562 131.9106 7.617638 9.049469 
9.672471 
1 1 1 14  -11 5  o 99.24179 4.536731  2088.519       188.8134 2128.255       
274.5811 2052.876       260.0554 100.1165 6.532602 98.36711 6.297049 1.749352 
9.073462 
1 1 1 14  -11 6  o 84.00896 4.275276  1494.961       150.7046 1530.543       
217.5918 1462.155       208.9291 84.96156 6.100159 83.05635 5.991660 1.905212 
8.550551 
1 1 1 14  -11 7  o 56.70864 5.524027  686.0561       131.4799 704.9815       
188.6057 668.1639       183.3854 57.46843 7.817116 55.94885 7.807189 1.519585 
11.04805 
1 1 1 14  -11 8  o 117.8501 5.446977  2964.066       263.3978 2972.405       
419.3748 2958.634       338.4903 117.7758 8.481398 117.9244 6.836969 
-0.1485977     10.89395 
1 1 1 14  -11 9  o 103.4259 7.155718  2281.457       310.7144 2281.457       
310.7144 0.000000       0.000000 103.4259 7.155718 ?        ?        ? ? 
1 1 1 14  -11 10 o 124.3913 5.281576  3299.008       274.8514 3157.627       
370.5560 3471.918       409.7967 121.5070 7.263964 127.2757 7.669093 -5.768700 
10.56315 
1 1 1 14  -11 11 o 101.1705 5.290281  2161.888       218.1885 2348.126       
359.8072 2053.574       274.3968 104.3254 8.214869 98.01550 6.668149 6.309952 
10.58056 
1 1 1 14  -11 12 o 52.79124 6.819808  601.7628       145.9902 804.8767       
227.1245 458.7614       190.5744 60.78601 8.899823 44.79646 10.33597 15.98956 
13.63962 
1 1 1 14  -11 13 o 62.85010 5.729708  865.0679       149.9487 768.1208       
216.8135 953.9547       207.6050 59.28081 8.711507 66.41939 7.444989 -7.138580 
11.45942 
1 1 1 14  -11 14 o 71.99593 5.269838  1124.487       158.5536 1132.517       
236.0423 1117.885       214.0279 72.11816 7.795901 71.87368 7.092862 0.2444839 
10.53968 
1 1 1 14  -11 15 o 28.02732 7.670230  128.4139       129.6223 167.4163       
181.2590 87.59174       185.4396 29.57123 10.97330 26.48342 10.71990 3.087809 
15.34046 
1 1 1 14  -11 16 o 35.99179 7.142224  306.9228       122.0728 143.3922       
181.2200 442.7668       165.1684 28.31170 10.85357 43.67188 9.286839 -15.36018 
14.28445 
1 1 1 14  -11 17 o 43.95821 7.547315  467.4432       139.2050 561.7831       
197.9020 375.0538       195.8455 48.67884 10.02651 39.23757 11.28349 9.441273 
15.09463 
1 1 1 14  -11 18 o 49.50087 7.099443  567.6896       140.0539 716.9229       
226.3019 475.0483       178.3025 54.57491 10.25417 44.42684 9.821426 10.14807 
14.19889 
1 1 1 14  -11 19 o 35.93148 7.711565  274.8274       132.8854 532.9569       
219.2417 124.9285       167.0719 45.64809 11.44973 26.21487 10.33328 19.43322 
15.42313 
1 1 1 14  -11 20 o 28.82093 7.672355  183.4858       128.6094 127.5853       
185.8299 234.8752       178.1739 26.63213 10.75132 31.00973 10.94848 -4.377592 
15.34471 
1 1 1 14  -11 21 o 18.43881 6.175312  -148.2202      127.1857 -188.5485      
180.4782 -108.4330      179.2634 17.69797 8.485474 19.17965 8.974109 -1.481678 
12.35062 
1 1 1 14  -11 22 o 25.97959 7.250335  132.1979       128.1739 -49.85431      
215.7994 231.4271       159.3207 22.05507 10.13287 29.90411 10.37277 -7.849041 
14.50067 
1 1 1 14  -11 23 o 41.00581 7.295353  468.6998       127.3049 376.0271       
191.8510 541.6067       170.1659 36.10154 11.36288 45.91008 9.152799 -9.808540 
14.59071 
1 1 1 14  -11 24 o 55.20981 6.277532  757.4828       137.1253 521.9095       
179.5077 1087.563       212.4857 43.58827 10.01392 66.83135 7.573044 -23.24308 
12.55506 
1 1 1 14  -11 25 o 27.35448 7.092984  39.77295       131.4308 523.7365       
218.7577 -233.6009      164.4128 39.56849 12.07001 15.14046 7.453630 24.42803 
14.18597 
1 1 1 14  -11 26 o 24.51393 7.988505  130.3754       181.6962 57.80493       
224.7942 267.1307       308.5868 22.08435 10.22269 26.94350 12.27850 -4.859150 
15.97701 
1 1 1 14  -10 0  o 80.26719 3.747670  1379.119       123.0451 1446.979       
159.4607 1279.251       193.4462 82.80846 4.586696 77.72591 5.928099 5.082550 
7.495341 
1 1 1 14  -10 1  o 18.59687 5.647848  -24.49114      84.67212 51.04158       
106.0157 -157.5444      140.7069 20.73953 8.213495 16.45421 7.754435 4.285316 
11.29570 
1 1 1 14  -10 2  f 22.83528 6.114043  73.21207       85.80307 136.1503       
106.7505 -41.66606      144.2220 25.77773 8.501623 19.89283 8.789113 5.884899 
12.22809 
1 1 1 14  -10 3  o 136.2552 5.532922  3957.826       316.2951 4046.367       
457.5255 3876.775       437.7473 137.6882 7.914793 134.8223 7.733624 2.865952 
11.06584 
1 1 1 14  -10 4  o 162.2312 5.944508  5570.035       391.0901 5400.254       
489.8607 5868.478       649.4709 159.2283 7.327796 165.2341 9.362270 -6.005768 
11.88902 
1 1 1 14  -10 5  o 175.8649 5.977461  6617.350       440.1790 6659.066       
647.1500 6581.434       600.4807 176.2613 8.745186 175.4685 8.151191 0.7928314 
11.95492 
1 1 1 14  -10 6  o 65.79839 4.908693  915.0042       134.1950 959.5883       
207.1244 882.7498       176.1716 67.11958 7.350266 64.47721 6.508046 2.642365 
9.817386 
1 1 1 14  -10 7  o 254.2592 7.585587  13978.67       808.1921 14194.24       
1183.587 13790.36       1106.242 255.8848 11.01734 252.6337 10.42990 3.251144 
15.17117 
1 1 1 14  -10 8  o 171.8987 5.932735  6331.213       423.5898 6392.842       
561.4402 6249.776       645.3871 173.1165 7.724782 170.6809 9.006506 2.435516 
11.86547 
1 1 1 14  -10 9  o 31.19721 7.409471  193.7128       113.5240 238.8824       
176.5668 161.8816       148.2218 33.61987 10.93381 28.77455 10.00264 4.845316 
14.81894 
1 1 1 14  -10 10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  -10 11 o 173.4459 7.348717  6536.857       528.0527 6512.270       
692.9281 6570.914       815.5173 173.5456 9.510332 173.3463 11.20572 0.1993103 
14.69743 
1 1 1 14  -10 12 o 130.8568 6.021558  3675.429       321.1589 3779.349       
523.4780 3612.706       406.6914 131.9178 9.451838 129.7958 7.463203 2.121918 
12.04312 
1 1 1 14  -10 13 o 63.66433 5.613086  875.3510       149.9571 885.8246       
209.6734 864.3840       214.5535 64.08627 7.792906 63.24239 8.080690 0.8438835 
11.22617 
1 1 1 14  -10 14 o 50.18823 7.240050  576.3654       147.3690 550.9266       
212.3436 600.0032       204.6894 48.94361 10.63161 51.43286 9.830669 -2.489254 
14.48010 
1 1 1 14  -10 15 o 64.23061 6.130563  862.3392       161.0795 1190.804       
259.8105 657.2477       205.2985 73.79086 8.386393 54.67036 8.944476 19.12050 
12.26113 
1 1 1 14  -10 16 o 91.93222 5.490975  1839.737       211.3060 1944.524       
313.7962 1752.800       285.8225 94.23882 7.931199 89.62561 7.596006 4.613213 
10.98195 
1 1 1 14  -10 17 o 27.08678 7.799734  73.95526       141.2522 173.7256       
214.4348 -2.519205      187.7383 30.72084 11.79792 23.45272 10.20552 7.268122 
15.59947 
1 1 1 14  -10 18 o 35.21902 7.935522  299.5691       133.8881 221.8135       
218.0953 346.5957       169.6105 32.39872 12.03395 38.03931 10.34766 -5.640591 
15.87104 
1 1 1 14  -10 19 o 109.2611 4.919470  2645.617       224.8492 2646.623       
305.6482 2644.429       331.9467 109.5355 6.646425 108.9867 7.254640 0.5487823 
9.838941 
1 1 1 14  -10 20 f 53.06091 6.981688  672.0225       147.7606 749.2673       
232.7780 619.8934       191.2261 55.23972 10.41828 50.88211 9.297056 4.357609 
13.96338 
1 1 1 14  -10 21 o 22.05291 6.867218  -30.24825      129.1788 97.50884       
185.6703 -150.1103      179.8419 25.55058 10.58553 18.55524 8.751074 6.995335 
13.73444 
1 1 1 14  -10 22 o 20.58084 6.635565  -74.09288      130.8447 -191.7227      
187.9077 36.62615       182.3042 18.08291 8.667216 23.07878 10.04999 -4.995872 
13.27113 
1 1 1 14  -10 23 o 22.49657 6.757384  38.35612       119.4961 -104.8260      
182.9842 144.8212       157.7876 19.23078 9.011216 25.76236 10.07209 -6.531578 
13.51477 
1 1 1 14  -10 24 o 52.34057 6.265698  687.7438       134.9155 652.9154       
184.6804 727.6035       197.5699 50.59041 9.019203 54.09073 8.699993 -3.500320 
12.53140 
1 1 1 14  -10 25 o 51.92574 6.525165  712.1052       136.7852 650.1368       
204.9548 761.8745       183.6766 48.28118 10.40813 55.57029 7.872857 -7.289104 
13.05033 
1 1 1 14  -10 26 o 33.38387 9.122321  421.5279       179.9379 413.9879       
221.7382 436.0679       307.9181 34.23345 12.20097 32.53429 13.56478 1.699162 
18.24464 
1 1 1 14  -10 27 o 23.90352 8.103234  42.08016       244.0918 -236.2602      
383.7447 231.2213       316.3350 21.60796 10.75091 26.19908 12.12714 -4.591118 
16.20647 
1 1 1 14  -9  0  o 61.93450 4.018392  839.5784       99.54066 926.1395       
127.2355 703.0170       159.8125 66.27157 4.573009 57.59743 6.608894 8.674133 
8.036783 
1 1 1 14  -9  1  o 24.99172 6.306191  114.2827       85.86734 157.4439       
108.4209 41.65724       140.6405 27.25928 8.534570 22.72415 9.286190 4.535133 
12.61238 
1 1 1 14  -9  2  o 206.2537 5.792998  9115.228       481.6490 9241.049       
604.8625 8897.193       796.2349 208.6662 6.904395 203.8412 9.304011 4.824966 
11.58600 
1 1 1 14  -9  3  o 107.2067 4.081366  2368.354       178.2359 2187.084       
222.8243 2690.377       296.9900 101.7388 5.216714 112.6746 6.278224 -10.93581 
8.162732 
1 1 1 14  -9  4  o 187.5129 7.320607  7582.098       574.5602 7552.146       
844.8095 7607.875       783.7261 186.9696 10.76239 188.0563 9.926533 -1.086670 
14.64121 
1 1 1 14  -9  5  o 113.3325 4.134939  2707.069       194.7602 2812.687       
299.7612 2629.915       256.2043 115.1734 6.199324 111.4915 5.473506 3.681854 
8.269878 
1 1 1 14  -9  6  o 80.00731 4.489740  1329.376       149.1466 1117.876       
195.7085 1622.378       230.3507 72.56874 6.423639 87.44588 6.274386 -14.87714 
8.979480 
1 1 1 14  -9  7  o 17.20525 5.685323  -147.2976      103.4913 -230.3360      
154.1638 -79.17744      139.6306 16.04549 7.729249 18.36501 8.339683 -2.319517 
11.37065 
1 1 1 14  -9  8  o 164.8966 5.940355  5830.263       409.8516 5627.861       
598.2858 6009.236       562.5946 162.0455 8.794130 167.7478 7.988401 -5.702301 
11.88071 
1 1 1 14  -9  9  o 88.32678 4.409205  1649.395       162.7945 1711.140       
243.5655 1599.540       218.8630 89.78210 6.461702 86.87146 6.000898 2.910645 
8.818411 
1 1 1 14  -9  10 o 118.7311 5.040504  2988.200       245.0036 3055.039       
394.5205 2946.241       312.5852 119.6331 7.854871 117.8290 6.318840 1.804176 
10.08101 
1 1 1 14  -9  11 f 90.86839 4.973877  1767.590       188.5974 1637.774       
275.4865 1882.098       258.7349 87.62610 7.488381 94.11067 6.548431 -6.484573 
9.947754 
1 1 1 14  -9  12 o 119.5976 7.306411  3053.117       366.8645 3053.117       
366.8645 0.000000       0.000000 119.5976 7.306411 ?        ?        ? ? 
1 1 1 14  -9  13 o 77.47747 5.006477  1271.567       162.0958 1426.859       
243.2652 1147.557       217.3874 81.69019 7.093020 73.26475 7.067413 8.425446 
10.01295 
1 1 1 14  -9  14 o 102.5494 5.371238  2255.140       228.8388 2316.103       
351.6965 2210.379       301.3576 103.5799 8.087488 101.5190 7.070597 2.060928 
10.74248 
1 1 1 14  -9  15 o 98.04378 4.700291  2063.921       193.4045 2018.703       
274.9693 2108.194       272.0839 96.94511 6.755840 99.14246 6.536786 -2.197350 
9.400582 
1 1 1 14  -9  16 o 108.6796 5.473510  2563.008       249.3924 2381.214       
346.9611 2757.335       358.7211 104.6211 7.899193 112.7381 7.578918 -8.117058 
10.94702 
1 1 1 14  -9  17 o 47.14200 7.085441  519.3687       135.8766 448.6431       
198.6167 581.5892       186.2920 43.70648 10.85869 50.57752 9.105096 -6.871044 
14.17088 
1 1 1 14  -9  18 o 68.16028 5.332195  1003.220       150.9691 1130.852       
235.2768 913.8878       196.8347 71.67650 7.818499 64.64406 7.252605 7.032440 
10.66439 
1 1 1 14  -9  19 o 55.90102 6.132634  703.7476       143.7623 677.5262       
205.1900 729.0298       201.4818 54.76722 8.923940 57.03482 8.414278 -2.267605 
12.26527 
1 1 1 14  -9  20 o 50.09187 6.639309  586.4603       136.1072 694.4323       
197.5640 488.9198       187.7780 55.26101 8.515496 44.92272 10.18862 10.33829 
13.27862 
1 1 1 14  -9  21 o 32.36726 8.163912  246.7783       139.4019 282.2193       
212.1803 219.8621       184.9094 33.89640 11.94972 30.83811 11.12663 3.058296 
16.32782 
1 1 1 14  -9  22 o 32.26743 7.748811  253.6523       131.8228 141.5027       
188.7514 360.4395       184.1836 27.24498 10.90289 37.28989 11.01378 -10.04490 
15.49762 
1 1 1 14  -9  23 o 59.23729 5.585919  822.0898       138.9211 820.4291       
196.3393 823.7548       196.5892 59.17480 7.902991 59.29977 7.896374 
-0.1249771     11.17184 
1 1 1 14  -9  24 o 29.73070 7.621769  229.3521       124.1560 265.0956       
164.6157 182.1941       189.0820 31.54926 10.55729 27.91213 10.99587 3.637135 
15.24354 
1 1 1 14  -9  25 o 21.02015 6.742935  -8.317458      126.9214 -73.33705      
212.3895 27.79955       158.2948 20.99091 9.800780 21.04940 9.263552 
-0.5849075E-01 13.48587 
1 1 1 14  -9  26 o 53.83388 8.737179  882.5622       187.3053 856.7712       
233.0979 929.5634       314.6720 55.58017 10.37502 52.08758 14.06102 3.492588 
17.47436 
1 1 1 14  -9  27 f 63.18729 9.795608  1364.969       246.9774 1764.451       
406.9186 1131.976       310.7638 69.25362 14.46635 57.12096 13.21138 12.13267 
19.59122 
1 1 1 14  -9  28 o 28.00648 8.571005  263.5264       151.6402 478.5573       
418.9841 231.1141       162.6678 29.34776 13.72705 26.66521 10.26726 2.682554 
17.14201 
1 1 1 14  -8  0  o 93.46875 3.593389  1740.250       129.1027 1603.490       
151.7141 2099.237       245.8026 87.25885 4.141307 99.67864 5.873614 -12.41979 
7.186778 
1 1 1 14  -8  1  o 273.3875 7.312346  15972.11       767.8091 15913.01       
916.7202 16111.00       1405.359 273.6578 7.979030 273.1173 12.25629 0.5404968 
14.62469 
1 1 1 14  -8  2  o 25.45724 6.872059  94.12933       103.6254 53.04868       
150.9814 130.7162       142.4844 23.88750 9.671280 27.02698 9.765610 -3.139475 
13.74412 
1 1 1 14  -8  3  o 277.6943 8.598144  16776.74       975.3731 16279.74       
1556.439 17098.12       1251.626 273.2695 13.56632 282.1192 10.56727 -8.849701 
17.19629 
1 1 1 14  -8  4  f 41.85814 6.229429  383.0708       108.9655 238.5405       
150.3820 542.8356       158.1091 33.17304 9.985270 50.54323 7.451009 -17.37019 
12.45886 
1 1 1 14  -8  5  o 73.95029 4.514126  1157.963       139.9678 1177.695       
203.8992 1140.379       192.4825 74.53085 6.516291 73.36973 6.248783 1.161125 
9.028252 
1 1 1 14  -8  6  o 57.84179 5.100570  711.3746       123.8580 704.8909       
174.2988 717.9882       176.0375 57.57584 7.210660 58.10773 7.215929 
-0.5318909     10.20114 
1 1 1 14  -8  7  o 69.82088 4.864799  1041.716       141.5386 1092.793       
191.9076 980.7922       209.5909 71.76925 6.369053 67.87251 7.355285 3.896736 
9.729597 
1 1 1 14  -8  8  o 44.71481 6.126445  439.0408       112.3450 383.6730       
161.3199 491.1809       156.5472 41.45152 9.472693 47.97809 7.771833 -6.526566 
12.25289 
1 1 1 14  -8  9  o 28.35641 7.193842  141.5984       114.9771 28.89611       
178.4674 221.5676       150.3328 24.60258 10.29681 32.11024 10.04894 -7.507666 
14.38768 
1 1 1 14  -8  10 o 81.44368 4.550117  1414.078       154.6924 1338.138       
227.4477 1479.439       211.0118 79.34360 6.827958 83.54377 6.016083 -4.200172 
9.100234 
1 1 1 14  -8  11 o 136.9854 5.240103  4004.066       300.8202 3854.481       
433.1872 4143.388       418.0637 134.4376 7.674959 139.5333 7.136508 -5.095703 
10.48021 
1 1 1 14  -8  12 o 152.6780 7.064951  5031.550       452.3799 5007.447       
653.9467 5053.669       626.4617 152.2256 10.23236 153.1304 9.744381 
-0.9048157     14.12990 
1 1 1 14  -8  13 o 83.85369 7.045742  1498.468       248.0435 0.000000       
0.000000 1498.468       248.0435 ?        ?        83.85369 7.045742 ? ? 
1 1 1 14  -8  14 o 117.0900 5.697005  2941.559       279.9081 2846.322       
388.3405 3044.536       403.8123 115.1269 8.034465 119.0532 8.079038 -3.926285 
11.39401 
1 1 1 14  -8  15 o 120.9057 5.685296  3158.664       287.5498 3069.025       
421.1659 3236.934       393.5508 119.1401 8.420081 122.6713 7.641504 -3.531197 
11.37059 
1 1 1 14  -8  16 o 119.2945 5.500061  3057.074       274.3911 2725.448       
372.2890 3451.464       405.9932 112.2028 7.903101 126.3863 7.651384 -14.18346 
11.00012 
1 1 1 14  -8  17 o 59.89719 6.549229  813.2718       157.3330 700.7991       
235.1356 904.4492       211.7087 55.28023 10.51066 64.51414 7.816366 -9.233906 
13.09846 
1 1 1 14  -8  18 o 46.26489 7.360204  523.4559       139.6936 361.0418       
229.3691 619.2200       176.1264 39.31269 12.43173 53.21709 7.883051 -13.90440 
14.72041 
1 1 1 14  -8  19 o 56.24260 6.115265  727.1685       136.6600 619.8728       
208.4191 808.0911       181.0012 51.64120 9.968863 60.84399 7.085735 -9.202782 
12.23053 
1 1 1 14  -8  20 o 68.01948 5.312354  1009.243       150.3621 1215.902       
226.9897 847.6589       200.7145 74.24223 7.282427 61.79672 7.736320 12.44551 
10.62471 
1 1 1 14  -8  21 o 20.35462 6.573600  -98.23407      126.8351 -0.9850886     
183.5428 -187.1196      175.4730 22.84009 10.01368 17.86915 8.519097 4.970938 
13.14720 
1 1 1 14  -8  22 o 47.16018 7.163812  544.8001       134.7531 556.8812       
217.5147 537.2755       171.6629 46.83800 11.19696 47.48236 8.939175 
-0.6443596     14.32762 
1 1 1 14  -8  23 o 39.85654 6.605111  390.2819       119.0053 601.3635       
170.8548 191.3747       165.8545 50.94978 7.987408 28.76331 10.52194 22.18647 
13.21022 
1 1 1 14  -8  24 o 46.95124 6.967979  550.1274       131.1369 500.4646       
169.5115 624.1522       206.9533 44.71067 9.334969 49.19181 10.34743 -4.481144 
13.93596 
1 1 1 14  -8  25 o 35.72781 7.517062  292.3438       137.4431 622.5634       
219.2292 78.49877       176.4195 47.71367 11.13624 23.74195 10.09995 23.97172 
15.03412 
1 1 1 14  -8  26 o 18.49621 6.299798  -206.8377      147.5600 -317.3892      
217.1686 -112.0244      201.1173 17.32616 8.534424 19.66626 9.268950 -2.340099 
12.59960 
1 1 1 14  -8  27 f 29.48174 8.420013  252.9702       157.6573 216.2233       
200.8496 311.9556       254.4678 27.90182 11.21309 31.06167 12.56396 -3.159853 
16.84003 
1 1 1 14  -8  28 o 24.77934 7.676773  158.1098       144.5541 -4.850238      
355.2407 190.4479       158.2483 23.99061 11.59552 25.56808 10.06356 -1.577473 
15.35355 
1 1 1 14  -7  0  o 114.4048 4.005362  2802.780       176.3850 2867.794       
212.2345 2657.594       317.1567 116.7048 4.331600 112.1048 6.738615 4.599991 
8.010723 
1 1 1 14  -7  1  o 240.0035 7.360872  12266.20       699.6342 12178.15       
856.6178 12442.62       1212.526 239.4164 8.522251 240.5906 12.00421 -1.174255 
14.72174 
1 1 1 14  -7  2  o 110.4585 4.085226  2575.950       189.4496 2576.495       
268.1672 2575.408       267.6778 110.4697 5.782075 110.4474 5.772685 
0.2226257E-01  8.170451 
1 1 1 14  -7  3  o 111.4869 4.024509  2624.946       188.3260 2680.449       
265.6287 2568.850       267.0434 112.6808 5.614952 110.2931 5.767064 2.387749 
8.049019 
1 1 1 14  -7  4  o 150.1583 5.992008  4792.487       376.7625 4727.079       
513.0915 4869.021       555.0205 149.1130 8.195972 151.2036 8.743151 -2.090637 
11.98402 
1 1 1 14  -7  5  o 120.3269 4.293452  3050.021       216.4182 2798.694       
296.3482 3337.229       316.7971 115.0268 6.136553 125.6271 6.006465 -10.60033 
8.586904 
1 1 1 14  -7  6  o 168.1111 5.760490  6084.308       393.1641 6297.011       
501.5475 5745.248       633.2323 172.2954 6.933609 163.9268 9.200981 8.368607 
11.52098 
1 1 1 14  -7  7  o 80.05453 4.111204  1357.059       138.0082 1332.031       
199.0452 1380.231       191.5185 79.32520 5.976701 80.78387 5.646861 -1.458664 
8.222408 
1 1 1 14  -7  8  o 39.35597 6.110120  294.7143       100.2126 543.1257       
171.9462 166.9320       123.3224 50.44752 8.118465 28.26442 9.133718 22.18310 
12.22024 
1 1 1 14  -7  9  o 80.21842 4.686038  1368.534       156.8733 1349.427       
234.1024 1384.106       211.3438 79.65551 7.000210 80.78133 6.231600 -1.125824 
9.372075 
1 1 1 14  -7  10 o 187.5927 5.835906  7507.137       458.8091 8161.192       
665.7775 6915.602       633.1588 195.4122 8.115187 179.7731 8.388976 15.63908 
11.67181 
1 1 1 14  -7  11 f 66.13335 5.579465  951.0478       150.8641 712.7520       
214.8062 1183.007       211.9310 57.65776 8.873811 74.60893 6.765885 -16.95118 
11.15893 
1 1 1 14  -7  12 o 102.1588 4.453793  2235.485       187.7979 2084.610       
287.7312 2347.457       247.8757 99.01467 6.921631 105.3030 5.606790 -6.288322 
8.907585 
1 1 1 14  -7  13 o 91.64706 4.910275  1766.799       187.8353 1988.479       
284.6685 1595.856       249.9781 96.66943 7.014091 86.62469 6.873553 10.04474 
9.820550 
1 1 1 14  -7  14 o 28.60785 7.163051  114.9554       130.8700 -196.4062      
220.0830 285.2762       162.7751 21.37181 9.977880 35.84389 10.28003 -14.47208 
14.32610 
1 1 1 14  -7  15 o 119.3371 7.889614  3054.463       395.2849 3054.463       
395.2849 0.000000       0.000000 119.3371 7.889614 ?        ?        ? ? 
1 1 1 14  -7  16 o 127.4253 6.050865  3512.523       321.8630 3513.513       
481.1731 3511.721       432.9952 127.2375 9.007565 127.6132 8.081811 
-0.3757019     12.10173 
1 1 1 14  -7  17 o 35.81097 8.239816  283.3218       143.3659 234.5876       
211.6830 324.6178       194.8602 33.82389 11.93454 37.79804 11.36420 -3.974148 
16.47963 
1 1 1 14  -7  18 o 61.39834 6.130736  762.4752       151.6862 1088.440       
262.7165 599.4712       185.7810 70.42365 8.885665 52.37303 8.449182 18.05062 
12.26147 
1 1 1 14  -7  19 o 150.7329 6.239116  4967.686       386.1017 5266.412       
620.6665 4779.112       493.1326 153.6846 9.619420 147.7811 7.948146 5.903519 
12.47823 
1 1 1 14  -7  20 o 76.69603 5.016567  1294.715       158.7864 1222.158       
243.7894 1348.174       209.2606 74.50691 7.793620 78.88515 6.318488 -4.378242 
10.03313 
1 1 1 14  -7  21 f 78.26542 5.136769  1306.082       165.6415 1713.124       
261.3457 1032.786       214.1468 88.22125 7.056077 68.30959 7.467085 19.91167 
10.27354 
1 1 1 14  -7  22 o 48.71010 7.040000  571.1650       139.1791 501.7884       
194.7737 643.5490       198.9507 45.31709 10.44461 52.10311 9.442274 -6.786022 
14.08000 
1 1 1 14  -7  23 o 65.10014 5.228016  941.8345       141.5930 835.8654       
185.7031 1088.993       218.8373 60.88055 7.265437 69.31973 7.519443 -8.439178 
10.45603 
1 1 1 14  -7  24 o 40.20710 7.955204  418.9997       139.8456 347.1187       
187.1747 509.8255       210.3994 36.39901 11.17728 44.01518 11.32297 -7.616169 
15.91041 
1 1 1 14  -7  25 o 52.37923 6.668399  693.0580       140.1260 505.9631       
199.3019 875.9553       197.0534 43.56039 10.91095 61.19806 7.669504 -17.63767 
13.33680 
1 1 1 14  -7  26 o 25.07577 7.375057  108.7668       130.5009 41.46400       
188.9167 170.1956       180.4844 23.02117 10.12569 27.13038 10.72549 -4.109213 
14.75011 
1 1 1 14  -7  27 o 28.40844 7.911137  191.9932       159.9213 345.7865       
200.1577 -79.48347      265.9316 34.03103 11.64134 22.78584 10.71557 11.24518 
15.82227 
1 1 1 14  -7  28 o 25.24993 8.057586  102.3309       148.8402 178.6017       
351.9203 85.71586       164.2540 28.00260 12.89656 22.49726 9.663202 5.505335 
16.11517 
1 1 1 14  -7  29 f 47.20238 9.620091  768.1170       174.0957 1166.860       
404.2671 677.3314       192.8993 46.48613 16.48373 47.91863 9.923275 -1.432499 
19.24018 
1 1 1 14  -6  0  o 93.55290 3.708534  1861.552       136.8960 1896.094       
167.9916 1793.271       236.1887 94.92084 4.215481 92.18497 6.102672 2.735870 
7.417067 
1 1 1 14  -6  1  o 197.2328 6.379876  8192.247       522.6441 7813.610       
684.1699 8722.830       809.8953 191.9372 8.490354 202.5284 9.524977 -10.59122 
12.75975 
1 1 1 14  -6  2  o 56.87008 4.910448  683.3712       117.1589 648.0045       
163.7015 720.5077       167.7479 55.35672 7.043742 58.38343 6.843661 -3.026718 
9.820896 
1 1 1 14  -6  3  o 102.6027 4.626608  2224.187       199.2290 2144.968       
279.9243 2305.509       283.6167 100.7438 6.618256 104.4617 6.466893 -3.717979 
9.253217 
1 1 1 14  -6  4  o 51.70954 5.643482  565.3613       122.3228 529.1270       
167.7769 606.4776       178.7227 49.94507 8.001302 53.47401 7.960823 -3.528938 
11.28696 
1 1 1 14  -6  5  o 84.25009 3.956659  1485.695       139.1683 1386.392       
185.2524 1614.338       210.8503 81.05779 5.443649 87.44239 5.743455 -6.384598 
7.913317 
1 1 1 14  -6  6  o 25.84738 6.570570  70.88309       104.6162 232.4444       
149.7709 -83.05195      146.1933 32.85601 9.980085 18.83875 8.549122 14.01726 
13.14114 
1 1 1 14  -6  7  o 190.0999 6.237727  7731.436       493.1426 7515.498       
744.3918 7900.329       658.3293 187.5044 9.456080 192.6954 8.137536 -5.190948 
12.47545 
1 1 1 14  -6  8  f 27.13200 7.095683  124.6976       107.7872 95.85346       
159.7688 148.7926       146.0249 26.19047 10.15647 28.07353 9.911654 -1.883057 
14.19137 
1 1 1 14  -6  9  f 123.6814 5.334415  3273.706       272.9807 3371.521       
360.1348 3141.608       418.5155 126.0224 6.806728 121.3403 8.215376 4.682060 
10.66883 
1 1 1 14  -6  10 o 32.27374 7.320610  221.7219       114.3475 157.8207       
175.2657 269.0804       150.8833 29.66917 10.81996 34.87831 9.863759 -5.209145 
14.64122 
1 1 1 14  -6  11 o 26.99343 7.307497  110.7602       115.1226 109.3191       
175.0602 111.8582       152.8138 27.48705 10.63716 26.49980 10.02242 0.9872589 
14.61499 
1 1 1 14  -6  12 o 141.8901 5.175654  4323.973       300.9745 4468.051       
389.6707 4110.915       473.8575 145.0858 6.397257 138.6944 8.137855 6.391464 
10.35131 
1 1 1 14  -6  13 o 175.4429 6.213081  6666.688       442.9735 6292.823       
711.2348 6903.624       566.1997 170.8931 9.913100 179.9926 7.492661 -9.099487 
12.42616 
1 1 1 14  -6  14 o 96.82651 4.858093  1970.734       196.2425 1790.412       
260.3461 2207.996       298.6348 91.77684 6.756768 101.8762 6.982146 -10.09933 
9.716186 
1 1 1 14  -6  15 o 198.5818 7.193939  8527.710       586.1870 8506.842       
753.6182 8559.674       932.7140 198.9079 9.024445 198.2558 11.20582 0.6520996 
14.38788 
1 1 1 14  -6  16 o 38.24831 10.28086  329.3358       168.6713 0.000000       
0.000000 329.3358       168.6713 ?        ?        38.24831 10.28086 ? ? 
1 1 1 14  -6  17 o 90.80460 4.901871  1751.017       185.2272 1872.566       
284.8757 1661.995       243.7969 93.42464 7.262983 88.18454 6.585016 5.240105 
9.803741 
1 1 1 14  -6  18 o 120.2955 5.254368  3010.620       259.4248 3667.020       
425.2942 2621.653       327.3872 130.2092 7.779808 110.3817 7.064567 19.82745 
10.50874 
1 1 1 14  -6  19 o 58.40662 6.452724  698.2496       146.5461 1157.113       
245.5544 444.4077       182.6366 72.88993 8.024190 43.92331 10.10757 28.96662 
12.90545 
1 1 1 14  -6  20 o 80.83719 5.564923  1375.726       185.1820 1744.313       
299.1734 1146.796       235.7782 89.23373 7.985738 72.44064 7.752512 16.79308 
11.12985 
1 1 1 14  -6  21 o 31.95941 7.922015  221.5453       131.3073 222.9456       
194.9256 220.3821       177.6653 32.20696 11.44347 31.71185 10.95811 0.4951115 
15.84403 
1 1 1 14  -6  22 o 101.4762 5.196301  2272.246       218.9308 2237.134       
288.2856 2320.089       336.5076 100.9238 6.803784 102.0285 7.855870 -1.104774 
10.39260 
1 1 1 14  -6  23 o 82.62258 4.815903  1493.228       162.5652 1427.127       
205.6067 1603.462       265.5190 80.66885 6.070892 84.57631 7.477697 -3.907455 
9.631806 
1 1 1 14  -6  24 o 49.54156 6.790020  589.1437       135.5351 579.3547       
174.5818 603.9938       215.0282 50.08789 8.302087 48.99522 10.74676 1.092670 
13.58004 
1 1 1 14  -6  25 o 39.95219 7.573187  417.8323       136.7626 262.2085       
193.4405 573.3630       193.3827 32.14694 11.40204 47.75743 9.970263 -15.61049 
15.14637 
1 1 1 14  -6  26 o 22.25053 6.952104  12.74047       128.8075 60.46038       
180.8467 -36.39254      183.5049 23.55337 10.12897 20.94770 9.525281 2.605677 
13.90421 
1 1 1 14  -6  27 o 21.62849 7.144120  -79.09467      154.2054 -103.6833      
193.2762 -36.02708      255.7915 19.62184 9.206411 23.63515 10.92684 -4.013315 
14.28824 
1 1 1 14  -6  28 o 34.50543 8.764612  373.8821       153.2570 340.2768       
352.7359 381.7021       170.1568 32.34265 14.03006 36.66822 10.50861 -4.325565 
17.52922 
1 1 1 14  -6  29 f 29.24790 8.870441  176.8827       150.3603 595.5523       
364.6915 91.13910       165.0406 36.00178 14.87062 22.49402 9.674903 13.50776 
17.74088 
1 1 1 14  -6  30 o 36.04703 8.400380  462.3141       141.4836 537.4219       
263.0927 431.7557       167.8153 35.28340 13.19490 36.81066 10.40001 -1.527264 
16.80076 
1 1 1 14  -5  0  o 136.2796 3.752341  3782.019       193.8619 3620.466       
227.1076 4215.842       372.1613 131.1893 4.123390 141.3699 6.270400 -10.18060 
7.504683 
1 1 1 14  -5  1  o 242.6146 6.641191  12481.01       672.1404 12382.01       
899.5820 12606.14       1011.295 241.6720 8.866161 243.5572 9.890038 -1.885269 
13.28238 
1 1 1 14  -5  2  o 250.3139 9.034299  13395.09       944.0063 13105.79       
1263.431 13760.72       1420.358 247.5070 12.15864 253.1207 13.36569 -5.613632 
18.06860 
1 1 1 14  -5  3  o 157.4090 6.125519  5248.028       403.5492 5182.022       
547.9445 5326.266       596.5591 156.3853 8.345681 158.4328 8.968699 -2.047531 
12.25104 
1 1 1 14  -5  4  o 94.60387 4.193369  1890.974       166.2877 1963.859       
231.8597 1813.778       238.6186 96.49993 5.722943 92.70779 6.130686 3.792137 
8.386739 
1 1 1 14  -5  5  o 65.04836 4.267775  852.4771       113.7319 708.2733       
143.1406 1099.392       187.3045 57.93552 5.884901 72.16121 6.182520 -14.22569 
8.535549 
1 1 1 14  -5  6  o 127.8627 4.360865  3369.326       230.2792 3016.105       
295.0301 3920.000       368.3754 119.5314 5.879027 136.1941 6.442486 -16.66270 
8.721730 
1 1 1 14  -5  7  o 65.89213 4.675263  916.9202       129.0257 1009.701       
186.3917 831.5570       178.7857 69.10131 6.424825 62.68294 6.793672 6.418369 
9.350527 
1 1 1 14  -5  8  o 102.3434 4.635344  2229.848       197.3734 2107.945       
294.8702 2328.799       265.6651 99.72929 7.042538 104.9575 6.028956 -5.228195 
9.270688 
1 1 1 14  -5  9  o 178.0294 5.760637  6705.682       417.8253 6922.870       
683.0158 6575.802       528.1828 180.0305 9.036613 176.0283 7.146984 4.002197 
11.52127 
1 1 1 14  -5  10 o 54.84632 5.432563  639.9138       124.5004 644.0535       
185.5313 636.5226       167.9230 54.97174 8.038940 54.72089 7.309337 0.2508469 
10.86513 
1 1 1 14  -5  11 o 96.55947 5.026042  1932.063       198.2956 2199.408       
327.6985 1777.619       249.0721 101.5901 7.683232 91.52879 6.481693 10.06136 
10.05208 
1 1 1 14  -5  12 o 41.21337 6.520977  375.3658       114.2253 243.3919       
160.6093 510.4403       162.4850 33.53128 10.36538 48.89546 7.915274 -15.36418 
13.04195 
1 1 1 14  -5  13 o 204.9262 7.329857  9086.397       627.8219 8939.188       
927.9398 9210.671       852.5871 203.0943 10.88286 206.7581 9.821942 -3.663757 
14.65971 
1 1 1 14  -5  14 f 69.80122 5.280965  1035.487       154.4060 942.0646       
213.0815 1138.783       224.0581 66.47109 7.635437 73.13136 7.297565 -6.660271 
10.56193 
1 1 1 14  -5  15 o 62.21017 6.395896  831.5474       166.6898 816.5938       
242.4747 844.9466       229.5277 61.62898 9.371360 62.79135 8.706755 -1.162373 
12.79179 
1 1 1 14  -5  16 o 146.7868 5.281769  4544.310       322.2423 4971.116       
499.6890 4240.437       421.6292 152.5078 7.804206 141.0659 7.119177 11.44196 
10.56354 
1 1 1 14  -5  17 o 83.99938 5.198483  1491.979       182.2727 1711.610       
274.8139 1319.473       243.5529 89.46328 7.316696 78.53548 7.386667 10.92780 
10.39697 
1 1 1 14  -5  18 o 77.78234 8.034499  1304.794       262.3728 1304.794       
262.3728 0.000000       0.000000 77.78234 8.034499 ?        ?        ? ? 
1 1 1 14  -5  19 o 49.01009 7.194444  539.5565       146.0101 670.9600       
211.7887 420.5286       201.5690 55.37759 9.109401 42.64258 11.13817 12.73502 
14.38889 
1 1 1 14  -5  20 o 35.46286 7.402367  235.0771       138.3965 513.0620       
205.3142 3.584102       187.3602 47.04174 10.64310 23.88398 10.29100 23.15776 
14.80473 
1 1 1 14  -5  21 o 50.82179 7.585132  604.2164       159.5505 487.8654       
230.9138 710.5107       220.7090 45.15687 11.98009 56.48672 9.306679 -11.32985 
15.17026 
1 1 1 14  -5  22 o 78.01291 5.222702  1301.672       166.9585 1185.032       
210.6482 1498.754       273.8150 73.69666 6.808179 82.32915 7.921815 -8.632500 
10.44540 
1 1 1 14  -5  23 o 28.61514 7.030200  106.8770       121.9909 -87.03662      
163.7627 348.6390       182.8542 19.37819 8.871139 37.85209 10.90861 -18.47390 
14.06040 
1 1 1 14  -5  24 o 31.73808 7.760371  225.3254       134.3359 95.39041       
193.9980 345.0260       186.2011 26.29956 10.85329 37.17660 11.09502 -10.87704 
15.52074 
1 1 1 14  -5  25 o 36.31010 8.374620  338.9760       152.5249 224.6843       
216.9147 450.7487       214.5109 31.25413 11.90551 41.36608 11.78116 -10.11195 
16.74924 
1 1 1 14  -5  26 o 41.80317 7.966120  468.0315       142.8116 444.5814       
216.3579 486.1371       190.1104 40.30959 11.94551 43.29674 10.54234 -2.987152 
15.93224 
1 1 1 14  -5  27 o 69.10156 5.445399  1135.972       149.6909 1083.964       
249.8304 1165.101       186.9683 66.52918 8.944462 71.67393 6.213378 -5.144753 
10.89080 
1 1 1 14  -5  28 o 25.40760 8.450445  -2.696428      161.4806 159.5753       
432.6443 -28.96123      174.0591 30.55067 14.15712 20.26453 9.231252 10.28614 
16.90089 
1 1 1 14  -5  29 o 35.24049 8.097892  428.9109       158.0878 98.53507       
357.5007 509.2171       176.2572 27.45836 12.77973 43.02262 9.948972 -15.56426 
16.19578 
1 1 1 14  -5  30 o 26.47685 7.462080  195.7878       138.6897 19.33981       
219.8993 312.3346       178.7170 21.88775 10.12368 31.06595 10.96548 -9.178200 
14.92416 
1 1 1 14  -5  31 f 39.10164 6.716438  554.3350       158.8284 13.45079       
262.2765 867.5540       199.5866 21.94059 10.44260 56.26268 8.449519 -34.32209 
13.43288 
1 1 1 14  -4  0  o 40.21421 6.711181  354.2252       111.5921 406.4701       
163.7782 308.9523       152.4591 42.96653 9.340238 37.46189 9.639489 5.504639 
13.42236 
1 1 1 14  -4  1  o 98.81178 4.414696  2056.918       182.6696 2036.558       
248.9735 2080.656       268.8358 98.29684 6.033019 99.32671 6.446769 -1.029869 
8.829391 
1 1 1 14  -4  2  o 90.77874 4.358933  1740.775       165.7809 1666.725       
238.9064 1809.547       230.2332 88.89775 6.401152 92.65973 5.918314 -3.761978 
8.717866 
1 1 1 14  -4  3  o 327.0433 10.72295  23286.58       1438.716 21897.86       
2248.575 24249.18       1872.079 317.6850 16.85900 336.4015 13.25523 -18.71646 
21.44591 
1 1 1 14  -4  4  o 192.6894 6.310280  7865.261       510.2744 7671.084       
709.2085 8073.671       734.7425 190.2348 8.879836 195.1440 8.968114 -4.909134 
12.62056 
1 1 1 14  -4  5  o 183.8635 5.630825  7143.624       431.7632 7053.131       
576.5909 7259.138       651.4498 182.6226 7.520286 185.1045 8.382723 -2.481873 
11.26165 
1 1 1 14  -4  6  o 106.5265 3.640274  2385.994       162.6325 2273.301       
223.9497 2511.738       236.5625 103.8717 5.135397 109.1813 5.160821 -5.309525 
7.280548 
1 1 1 14  -4  7  o 101.1878 4.569565  2132.359       192.4757 1936.040       
252.8524 2402.856       296.8030 95.74549 6.290278 106.6301 6.629939 -10.88461 
9.139130 
1 1 1 14  -4  8  o 118.7496 4.929302  3013.307       233.6222 2889.341       
393.1129 3080.995       290.4836 116.6854 8.024570 120.8138 5.726985 -4.128410 
9.858604 
1 1 1 14  -4  9  o 88.37761 4.687692  1639.950       170.4352 1717.477       
272.1573 1589.929       218.6098 90.01761 7.201345 86.73761 6.003205 3.279999 
9.375384 
1 1 1 14  -4  10 o 109.3756 4.581425  2545.999       208.2164 2633.195       
278.2099 2434.967       313.9424 111.5911 5.938327 107.1600 6.978116 4.431030 
9.162850 
1 1 1 14  -4  11 o 98.13754 5.056230  2049.753       207.7449 1880.206       
294.3578 2218.010       293.2366 94.03592 7.455949 102.2392 6.831593 -8.203232 
10.11246 
1 1 1 14  -4  12 o 161.8059 4.942098  5567.078       333.7341 5538.477       
499.0867 5590.210       448.8438 161.3187 7.369062 162.2932 6.587432 
-0.9744110     9.884196 
1 1 1 14  -4  13 o 122.2164 5.778656  3204.468       292.8435 3274.948       
387.6450 3110.777       446.9426 123.9724 7.447839 120.4603 8.837486 3.512047 
11.55731 
1 1 1 14  -4  14 o 161.5591 6.554492  5654.062       430.4145 5805.325       
548.9641 5412.706       693.4343 164.8849 7.930201 158.2334 10.43826 6.651489 
13.10898 
1 1 1 14  -4  15 o 143.9880 5.677394  4445.637       337.8049 4535.971       
443.1250 4320.306       521.9520 145.9736 7.230577 142.0024 8.754997 3.971252 
11.35479 
1 1 1 14  -4  16 o 66.56199 6.154513  946.3192       171.6254 867.0923       
235.7716 1035.618       250.3103 63.58830 8.831517 69.53568 8.574171 -5.947372 
12.30903 
1 1 1 14  -4  17 o 49.71017 7.034332  580.0912       140.9558 364.1775       
214.6167 743.8788       186.9235 40.39544 11.87556 59.02489 7.543097 -18.62945 
14.06866 
1 1 1 14  -4  18 o 96.18486 4.899436  1984.249       196.7962 1865.290       
287.8637 2088.632       269.6519 93.36576 7.343791 99.00395 6.487420 -5.638191 
9.798872 
1 1 1 14  -4  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  -4  20 o 109.7895 5.832880  2619.547       268.4923 2806.128       
384.0237 2441.130       375.5296 113.7051 8.044500 105.8739 8.448432 7.831184 
11.66576 
1 1 1 14  -4  21 o 37.51089 7.974288  324.0824       138.7520 241.4369       
200.3316 400.2823       192.3609 33.60035 11.63369 41.42143 10.90937 -7.821083 
15.94858 
1 1 1 14  -4  22 f 91.41394 4.895038  1831.796       184.8331 1924.189       
244.7380 1709.136       281.9893 94.43777 6.172724 88.39012 7.598886 6.047646 
9.790076 
1 1 1 14  -4  23 o 83.53818 5.157629  1519.661       179.0836 1434.735       
234.7086 1637.994       277.0505 80.96868 6.904513 86.10767 7.663695 -5.138985 
10.31526 
1 1 1 14  -4  24 o 40.04546 7.439854  401.0932       131.5349 510.6159       
176.8740 265.5785       196.7458 46.47451 9.393661 33.61641 11.53971 12.85810 
14.87971 
1 1 1 14  -4  25 o 32.99454 7.998980  262.4744       134.7187 307.9796       
189.4535 215.9290       191.6067 35.13689 11.31745 30.85218 11.30708 4.284702 
15.99796 
1 1 1 14  -4  26 f 39.02886 8.044058  406.3876       145.4068 501.8756       
195.9539 289.3815       216.9121 44.33838 10.64537 33.71934 12.06248 10.61904 
16.08812 
1 1 1 14  -4  27 o 25.76163 6.328006  126.3422       110.7311 -247.5151      
205.1623 280.0121       131.5343 18.12657 8.769986 33.39669 9.124802 -15.27013 
12.65601 
1 1 1 14  -4  28 o 31.25434 8.838774  237.7438       150.0067 287.7233       
357.0257 227.0294       165.3055 32.91728 14.19482 29.59140 10.53579 3.325874 
17.67755 
1 1 1 14  -4  29 o 27.41867 8.119628  175.0361       149.4621 -66.73273      
374.0672 220.9666       163.0423 26.08946 12.43818 28.74788 10.44055 -2.658413 
16.23926 
1 1 1 14  -4  30 o 43.00310 7.800308  521.1401       137.2819 669.0316       
230.7869 440.1548       170.7822 46.76863 11.75732 39.23756 10.25400 7.531078 
15.60062 
1 1 1 14  -4  31 o 39.57112 7.713416  537.6909       139.8787 401.3676       
229.3272 618.4575       176.5170 32.47338 12.27890 46.66886 9.338932 -14.19548 
15.42683 
1 1 1 14  -3  0  f 193.3139 6.608428  7916.332       536.1570 8037.642       
752.3671 7791.158       764.2537 194.8458 9.197289 191.7820 9.491846 3.063766 
13.21686 
1 1 1 14  -3  1  o 152.4756 4.396163  4849.243       277.7628 4606.719       
360.9479 5201.415       434.9543 147.8862 5.813503 157.0650 6.596071 -9.178772 
8.792325 
1 1 1 14  -3  2  o 201.2227 7.066945  8636.783       584.1202 8840.560       
757.1163 8337.133       918.1083 204.3985 8.822790 198.0470 11.04198 6.351532 
14.13389 
1 1 1 14  -3  3  o 136.5502 5.060162  3885.324       281.5217 4139.049       
463.5370 3737.042       354.3620 139.9580 7.888742 133.1423 6.339456 6.815643 
10.12032 
1 1 1 14  -3  4  o 66.13970 4.816499  917.1115       132.3816 962.7752       
204.2514 884.0346       173.8366 67.53036 7.204221 64.74905 6.394830 2.781311 
9.632998 
1 1 1 14  -3  5  o 25.27712 6.990957  78.02046       108.7134 38.57628       
155.6052 115.6323       151.9479 23.70895 9.741347 26.84529 10.02996 -3.136337 
13.98191 
1 1 1 14  -3  6  o 130.5666 4.740807  3497.422       250.3586 3969.568       
424.8362 3246.215       309.8843 137.0505 7.383495 124.0827 5.948528 12.96781 
9.481613 
1 1 1 14  -3  7  o 53.49533 5.289952  605.7977       118.6945 630.8313       
166.9526 580.2126       168.7813 54.62443 7.279932 52.36623 7.677042 2.258194 
10.57990 
1 1 1 14  -3  8  o 117.6511 4.787163  2952.656       232.8390 3107.051       
308.6397 2748.723       354.7155 121.3326 6.058920 113.9695 7.413314 7.363106 
9.574327 
1 1 1 14  -3  9  o 201.4018 7.247628  8670.907       612.0414 8256.604       
871.3870 9074.306       859.8431 196.5435 10.56023 206.2601 9.929449 -9.716522 
14.49526 
1 1 1 14  -3  10 o 45.77188 6.480380  461.7457       121.0352 407.6050       
182.5740 504.1962       161.6660 42.81140 10.27346 48.73235 7.901731 -5.920952 
12.96076 
1 1 1 14  -3  11 f 72.89929 4.256503  1115.433       129.6065 1045.031       
172.9637 1205.580       195.7212 70.30991 5.859487 75.48868 6.175572 -5.178764 
8.513006 
1 1 1 14  -3  12 o 169.6716 7.305660  6007.410       497.9904 5591.520       
611.5473 6825.995       857.9722 161.7038 9.008052 177.6395 11.50416 -15.93565 
14.61132 
1 1 1 14  -3  13 o 45.46693 7.027274  436.1620       128.0276 344.4000       
161.1551 593.1656       210.7984 39.26475 9.797060 51.66910 10.07710 -12.40435 
14.05455 
1 1 1 14  -3  14 o 47.59757 7.255100  503.1479       141.1405 394.6638       
192.7061 628.6819       207.2972 41.90956 10.86449 53.28558 9.618150 -11.37602 
14.51020 
1 1 1 14  -3  15 o 173.2623 7.376046  6482.120       534.9025 6576.959       
790.1549 6401.891       726.7493 174.2505 10.80088 172.2741 10.04814 1.976425 
14.75209 
1 1 1 14  -3  16 o 166.8972 7.109354  5878.850       486.9589 6604.805       
792.6034 5438.685       617.1763 174.6520 10.80945 159.1424 9.237288 15.50958 
14.21871 
1 1 1 14  -3  17 o 84.34531 5.089139  1476.643       177.3662 1735.237       
283.2256 1309.798       227.4996 90.21912 7.477475 78.47151 6.905414 11.74760 
10.17828 
1 1 1 14  -3  18 o 160.3797 5.834846  5554.343       385.8167 5757.833       
506.0950 5271.988       596.1541 164.2583 7.338813 156.5012 9.073231 7.757095 
11.66969 
1 1 1 14  -3  19 o 82.37633 5.292236  1484.051       179.0897 1224.249       
264.9647 1702.565       243.0005 75.38955 8.371396 89.36311 6.476941 -13.97356 
10.58447 
1 1 1 14  -3  20 o 76.71964 5.231808  1274.894       167.2723 1136.345       
241.4243 1402.810       231.9760 72.54560 7.926673 80.89367 6.830453 -8.348068 
10.46362 
1 1 1 14  -3  21 o 57.73331 8.973511  730.3579       217.5043 730.3579       
217.5043 0.000000       0.000000 57.73331 8.973511 ?        ?        ? ? 
1 1 1 14  -3  22 o 127.1294 4.590654  3539.984       236.7807 3733.705       
303.8391 3240.396       377.8483 132.1093 5.478117 122.1496 7.367949 9.959717 
9.181309 
1 1 1 14  -3  23 o 44.44067 7.220199  451.9998       131.0843 378.6645       
171.4255 555.2582       203.4144 40.16024 10.15538 48.72110 10.26612 -8.560860 
14.44040 
1 1 1 14  -3  24 o 24.21580 7.339448  27.35493       132.8789 52.89735       
174.5702 -7.829942      204.8882 24.35396 10.18767 24.07763 10.56794 0.2763290 
14.67890 
1 1 1 14  -3  25 o 30.12350 6.716646  104.6483       127.6479 443.6052       
185.5716 -199.7671      175.8623 42.58236 10.44519 17.66464 8.446969 24.91772 
13.43329 
1 1 1 14  -3  26 o 29.74565 7.655030  196.8721       127.4006 121.5334       
185.1644 264.5994       175.5620 26.68305 10.74849 32.80825 10.90265 -6.125198 
15.31006 
1 1 1 14  -3  27 o 34.48624 7.550888  204.6300       107.5687 557.4191       
236.9596 113.0589       120.7246 45.32381 12.18687 23.64868 8.918737 21.67513 
15.10178 
1 1 1 14  -3  28 o 22.99487 7.129412  29.26163       128.6772 70.01658       
206.9239 3.563978       164.3112 24.90454 10.77380 21.08520 9.340200 3.819342 
14.25882 
1 1 1 14  -3  29 o 27.66918 7.748705  184.8800       137.2154 -69.85506      
312.3013 245.8193       152.7489 24.91940 11.69393 30.41896 10.16965 -5.499557 
15.49741 
1 1 1 14  -3  30 o 23.95439 7.244957  93.87666       132.6052 -76.17528      
253.3334 158.0531       155.6286 22.31037 10.48227 25.59840 10.00398 -3.288034 
14.48991 
1 1 1 14  -3  31 o 34.05512 7.780182  381.1376       136.8748 244.7376       
226.1800 459.9534       171.9307 28.36794 11.71382 39.74231 10.24262 -11.37437 
15.56036 
1 1 1 14  -3  32 o 18.84506 6.478920  -99.38315      145.3023 -384.0349      
341.5936 -36.50182      160.5513 19.63634 9.818168 18.05378 8.456309 1.582552 
12.95784 
1 1 1 14  -2  0  o 121.2522 5.110283  3105.662       259.4298 3167.044       
356.0562 3036.198       378.7751 122.5556 6.920005 119.9488 7.521535 2.606827 
10.22057 
1 1 1 14  -2  1  o 121.4461 4.626162  3109.551       235.7758 3155.005       
330.2225 3062.283       336.7480 122.3601 6.428180 120.5321 6.654624 1.828011 
9.252324 
1 1 1 14  -2  2  o 123.6126 4.103427  3218.069       212.9237 3196.191       
303.1189 3239.379       299.1592 123.1939 5.860638 124.0312 5.745030 
-0.8373413     8.206854 
1 1 1 14  -2  3  o 153.7690 5.472820  4953.116       330.3883 4883.357       
400.2425 5102.314       585.3325 152.2354 6.262226 155.3027 8.977281 -3.067291 
10.94564 
1 1 1 14  -2  4  o 31.52857 6.623320  209.0417       103.3987 321.4674       
137.8829 64.58008       156.2981 38.23400 8.771392 24.82314 9.926538 13.41085 
13.24664 
1 1 1 14  -2  5  o 204.0804 5.842597  8805.335       499.9202 8803.137       
725.9663 8807.317       689.4352 204.0184 8.475554 204.1424 8.044173 
-0.1239319     11.68519 
1 1 1 14  -2  6  o 107.9047 4.309922  2450.547       195.0800 2542.592       
283.1844 2367.416       269.1219 109.8268 6.141610 105.9826 6.048333 3.844215 
8.619843 
1 1 1 14  -2  7  o 43.66790 6.285268  417.3872       108.8340 421.5046       
175.6250 414.8203       138.6698 43.70612 9.812560 43.62969 7.856975 
0.7643127E-01  12.57054 
1 1 1 14  -2  8  o 43.15952 7.081424  402.5548       126.9417 539.1723       
190.9686 294.3994       169.9154 49.58749 9.512323 36.73156 10.49295 12.85593 
14.16285 
1 1 1 14  -2  9  o 61.09207 5.201922  790.8984       132.3051 778.8356       
199.6271 800.3476       176.6823 60.64388 7.840678 61.54026 6.838403 
-0.8963814     10.40384 
1 1 1 14  -2  10 o 78.63361 4.682113  1307.840       154.4483 1366.132       
218.2496 1249.363       218.5966 80.40256 6.465538 76.86465 6.773886 3.537903 
9.364225 
1 1 1 14  -2  11 o 42.42994 6.808504  386.2473       124.2532 229.1333       
169.4319 569.0635       182.7658 33.12388 10.70611 51.73599 8.414401 -18.61211 
13.61701 
1 1 1 14  -2  12 o 113.9780 4.468663  2700.899       205.8135 2579.020       
255.6415 2925.428       346.9793 110.4986 5.510557 117.4573 7.036304 -6.958672 
8.937326 
1 1 1 14  -2  13 o 181.0136 7.700517  7027.000       576.0403 6846.213       
747.2689 7291.750       904.2969 178.5523 9.968560 183.4749 11.73966 -4.922516 
15.40103 
1 1 1 14  -2  14 o 67.84897 5.028741  962.7740       141.7985 1093.925       
220.5246 870.3257       185.1489 71.69681 7.326193 64.00113 6.890562 7.695679 
10.05748 
1 1 1 14  -2  15 o 171.7146 6.515062  6294.183       442.9361 6452.088       
769.6181 6215.975       541.6306 172.6769 10.61603 170.7523 7.555404 1.924637 
13.03012 
1 1 1 14  -2  16 o 137.6038 5.440125  3994.220       284.7487 4144.920       
533.8583 3934.300       336.6316 138.9456 9.151711 136.2620 5.884387 2.683609 
10.88025 
1 1 1 14  -2  17 o 28.58750 7.644407  93.96501       132.4350 240.9557       
199.7313 -21.36661      176.9194 34.32058 11.62893 22.85442 9.925510 11.46616 
15.28881 
1 1 1 14  -2  18 o 69.21358 5.579201  1022.911       161.9862 966.5390       
226.7450 1081.671       231.4949 67.24515 8.031521 71.18201 7.746264 -3.936859 
11.15840 
1 1 1 14  -2  19 o 53.71658 7.059519  636.0198       154.3053 629.5478       
233.8582 641.0101       205.3518 52.86914 10.90824 54.56400 8.964236 -1.694859 
14.11904 
1 1 1 14  -2  20 o 176.8261 7.597039  6821.697       559.4526 7155.501       
854.3647 6571.126       740.2248 180.1914 11.29354 173.4607 10.16444 6.730713 
15.19408 
1 1 1 14  -2  21 o 73.75761 5.773054  1180.674       178.3794 1227.456       
247.7816 1130.345       257.0042 75.36854 7.830689 72.14670 8.484863 3.221840 
11.54611 
1 1 1 14  -2  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  -2  23 o 67.66879 5.168976  1021.189       142.1451 1261.699       
196.7921 758.8223       205.5401 76.56879 6.121770 58.76878 8.330497 17.80001 
10.33795 
1 1 1 14  -2  24 o 39.18420 7.139517  340.0749       131.6786 602.8658       
195.1985 120.6196       178.3793 51.09388 9.455459 27.27451 10.69977 23.81937 
14.27903 
1 1 1 14  -2  25 o 51.23869 6.474846  610.7537       134.4821 489.4456       
190.0608 732.3832       190.3123 45.19335 10.25062 57.28402 7.913242 -12.09067 
12.94969 
1 1 1 14  -2  26 o 35.53411 7.987999  320.4609       142.3809 168.3147       
231.3425 413.2319       180.6470 30.14056 12.06679 40.92765 10.47020 -10.78710 
15.97600 
1 1 1 14  -2  27 o 29.73979 7.372414  203.4653       105.5720 207.5973       
206.8819 202.0104       122.7587 30.44148 11.61789 29.03810 9.079349 1.403383 
14.74483 
1 1 1 14  -2  28 o 28.45598 7.479976  188.6920       123.8936 84.70395       
205.4848 248.0860       155.2957 25.58622 10.89284 31.32574 10.25408 -5.739529 
14.95995 
1 1 1 14  -2  29 o 23.63409 7.668115  2.739421       147.1352 -106.9588      
340.0305 28.01112       163.2057 25.60107 12.06202 21.66710 9.471414 3.933969 
15.33623 
1 1 1 14  -2  30 f 23.51463 7.219667  54.95115       124.3050 147.1501       
219.4341 11.38386       150.8417 26.81739 11.32960 20.21186 8.951785 6.605532 
14.43933 
1 1 1 14  -2  31 o 25.89406 7.747692  148.3116       137.6575 145.7212       
254.7129 149.3804       163.6090 26.66157 11.74204 25.12655 10.11096 1.535015 
15.49538 
1 1 1 14  -2  32 o 43.46529 8.878077  616.2728       148.9114 826.3191       
359.0098 572.6261       163.6532 41.13041 15.40727 45.80017 8.825934 -4.669765 
17.75615 
1 1 1 14  -2  33 o 25.43256 7.453182  206.8358       128.5717 3.250812       
359.7924 236.6392       137.6614 23.34766 11.37595 27.51747 9.632627 -4.169817 
14.90636 
1 1 1 14  -1  0  o 43.26426 6.077446  407.4925       107.3744 437.7201       
143.8288 369.4359       161.3833 45.55128 7.520838 40.97723 9.548738 4.574055 
12.15489 
1 1 1 14  -1  1  f 109.5462 4.779183  2486.514       211.1266 2382.830       
261.6738 2679.899       357.3680 106.3834 5.858786 112.7090 7.552283 -6.325615 
9.558366 
1 1 1 14  -1  2  o 184.8954 6.607538  7243.272       511.0358 7386.247       
697.6561 7077.737       750.6812 186.9342 8.889428 182.8566 9.778359 4.077576 
13.21508 
1 1 1 14  -1  3  o 37.05857 7.397094  299.3066       120.0668 283.2104       
175.9869 313.3228       164.2231 36.30576 10.77652 37.81139 10.13581 -1.505630 
14.79419 
1 1 1 14  -1  4  o 129.6655 4.802100  3527.247       260.5749 3342.731       
351.7100 3751.769       387.9697 125.9355 6.652082 133.3956 6.927515 -7.460098 
9.604200 
1 1 1 14  -1  5  o 338.3729 10.77455  24786.24       1465.077 23772.11       
2425.571 25368.75       1838.300 331.7515 17.41495 344.9942 12.69187 -13.24277 
21.54910 
1 1 1 14  -1  6  o 124.9847 5.024888  3292.607       262.0354 3324.452       
393.9313 3267.334       350.9328 125.4924 7.476945 124.4770 6.715152 1.015366 
10.04978 
1 1 1 14  -1  7  o 140.7842 5.057665  4186.283       295.3789 4165.437       
453.4376 4201.650       389.3142 140.4192 7.691518 141.1492 6.569663 
-0.7299500     10.11533 
1 1 1 14  -1  8  o 106.9817 4.008115  2416.906       175.8454 2385.916       
279.5382 2437.199       226.2087 106.3693 6.259594 107.5942 5.007737 -1.224945 
8.016230 
1 1 1 14  -1  9  o 101.6595 4.772675  2168.754       203.0577 2404.671       
300.4158 1970.305       275.5294 106.7224 6.704836 96.59648 6.794033 10.12595 
9.545350 
1 1 1 14  -1  10 o 119.4007 5.438291  3032.215       270.4396 2890.201       
403.2686 3148.281       364.5712 116.7762 8.225475 122.0252 7.116292 -5.249001 
10.87658 
1 1 1 14  -1  11 o 91.95747 4.567452  1767.387       172.1947 1700.178       
219.0670 1876.051       278.5512 89.75295 5.813654 94.16198 7.046127 -4.409027 
9.134905 
1 1 1 14  -1  12 o 190.6234 7.982150  7826.431       622.6758 7906.481       
799.1243 7702.716       993.4546 192.3680 9.894696 188.8787 12.52812 3.489304 
15.96430 
1 1 1 14  -1  13 o 124.2044 4.922468  3253.439       255.8761 3491.515       
380.8027 3057.464       345.4954 128.3057 7.069278 120.1032 6.851865 8.202538 
9.844935 
1 1 1 14  -1  14 o 79.77353 4.761482  1350.506       159.4021 1335.337       
228.0048 1365.007       222.9377 79.32103 6.846627 80.22604 6.618952 
-0.9050064     9.522964 
1 1 1 14  -1  15 o 106.3390 4.848790  2401.464       214.6608 2392.234       
285.5124 2413.465       325.5686 106.1863 6.404387 106.4917 7.281956 
-0.3053589     9.697579 
1 1 1 14  -1  16 o 52.59510 6.741315  600.1158       144.3389 752.7532       
213.9947 472.7120       195.5077 59.28360 8.597842 45.90659 10.38549 13.37701 
13.48263 
1 1 1 14  -1  17 f 118.5722 5.290902  2995.455       263.2687 3013.464       
378.4626 2978.570       366.4636 118.8938 7.582021 118.2506 7.381566 0.6431351 
10.58180 
1 1 1 14  -1  18 o 77.06203 5.305620  1282.039       167.7976 1178.488       
260.3411 1355.625       219.4639 74.22640 8.354211 79.89767 6.542597 -5.671265 
10.61124 
1 1 1 14  -1  19 o 82.07719 4.990651  1439.644       171.3383 1340.433       
246.9328 1531.758       237.9355 79.27919 7.418918 84.87519 6.677279 -5.596001 
9.981302 
1 1 1 14  -1  20 o 105.0150 5.357280  2348.931       232.0344 2418.748       
366.1080 2302.058       299.9769 106.1371 8.216052 103.8930 6.877374 2.244102 
10.71456 
1 1 1 14  -1  21 f 108.5815 5.256766  2532.815       239.5343 2606.308       
337.8820 2458.559       339.6300 110.2084 7.302495 106.9545 7.563593 3.253967 
10.51353 
1 1 1 14  -1  22 o 27.15536 7.557562  104.2494       127.1304 133.0957       
171.9939 69.50832       188.7513 28.01724 10.62209 26.29348 10.75352 1.723759 
15.11512 
1 1 1 14  -1  23 o 94.06234 7.316866  1916.963       288.9481 0.000000       
0.000000 1916.963       288.9481 ?        ?        94.06234 7.316866 ? ? 
1 1 1 14  -1  24 o 33.65310 7.978942  250.7616       133.4350 289.0540       
191.7981 214.8431       185.7580 35.49626 11.38266 31.80994 11.18432 3.686317 
15.95788 
1 1 1 14  -1  25 o 24.16827 7.345459  -9.787802      135.5101 109.1634       
211.6466 -92.42840      176.4102 28.11521 11.42424 20.22132 9.236331 7.893885 
14.69092 
1 1 1 14  -1  26 f 45.32600 7.345221  504.0252       137.9672 394.4402       
199.0691 605.3162       191.3876 39.92150 11.34265 50.73050 9.335598 -10.80901 
14.69044 
1 1 1 14  -1  27 o 26.52235 7.091288  144.5090       106.5149 51.04047       
204.5211 179.2964       124.7718 25.19586 10.80121 27.84884 9.191260 -2.652981 
14.18258 
1 1 1 14  -1  28 o 34.65742 7.353365  322.3108       121.4243 179.0753       
212.4459 391.8034       147.9765 29.27409 11.61640 40.04075 9.019268 -10.76666 
14.70673 
1 1 1 14  -1  29 o 35.64479 7.901816  364.1063       134.5354 200.4269       
277.8849 414.2170       153.7564 30.63393 12.83632 40.65564 9.218664 -10.02171 
15.80363 
1 1 1 14  -1  30 o 50.31086 7.326866  639.1449       142.1151 742.4551       
256.8589 593.5675       170.6074 51.00661 12.15110 49.61511 8.190395 1.391499 
14.65373 
1 1 1 14  -1  31 o 21.53409 6.713726  23.34442       123.4208 -156.4092      
220.0305 105.8662       149.0831 19.72160 9.434834 23.34658 9.554076 -3.624981 
13.42745 
1 1 1 14  -1  32 o 38.66235 8.069996  480.4070       132.4425 448.0684       
309.0742 487.6808       146.5825 33.99647 13.80837 43.32822 8.356322 -9.331757 
16.13999 
1 1 1 14  -1  33 o 38.58543 10.14424  302.2215       132.4660 1585.321       
474.2768 193.6592       137.9561 51.60797 17.89719 25.56290 9.555790 26.04506 
20.28848 
1 1 1 14  0   0  o 136.1288 5.246778  3880.209       298.7871 4323.481       
443.9472 3513.169       403.9735 143.1885 7.384894 129.0691 7.455071 14.11945 
10.49356 
1 1 1 14  0   1  o 57.15218 5.241783  688.0098       125.6420 644.9759       
174.7876 734.0198       180.7306 55.30101 7.528327 59.00336 7.295851 -3.702351 
10.48357 
1 1 1 14  0   2  o 197.4502 6.678370  8162.662       533.3171 8546.224       
890.8482 7948.407       665.8128 200.8479 10.56471 194.0525 8.172481 6.795349 
13.35674 
1 1 1 14  0   3  o 172.2822 6.273369  6257.336       451.0237 6145.836       
603.1619 6398.759       679.2905 170.6011 8.421186 173.9634 9.300766 -3.362335 
12.54674 
1 1 1 14  0   4  o 193.8340 7.341830  7943.947       594.7147 7801.390       
800.3088 8119.743       888.7307 191.9715 9.929833 195.6964 10.81704 -3.724960 
14.68366 
1 1 1 14  0   5  o 131.0513 4.574704  3619.667       246.5931 3613.225       
389.7374 3623.969       318.4378 130.9052 7.091472 131.1973 5.781236 
-0.2921753     9.149407 
1 1 1 14  0   6  o 110.7880 4.896780  2574.669       227.1277 2341.576       
309.4927 2846.726       334.3609 105.3768 6.995626 116.1992 6.853834 -10.82239 
9.793561 
1 1 1 14  0   7  o 160.5788 6.179633  5455.334       416.4682 5572.813       
586.0660 5335.492       591.9277 162.3449 8.598626 158.8127 8.877785 3.532211 
12.35927 
1 1 1 14  0   8  o 96.96580 4.164670  1952.024       167.9289 1782.091       
219.7687 2190.460       260.3235 91.98040 5.691039 101.9512 6.081939 -9.970795 
8.329340 
1 1 1 14  0   9  o 163.6921 5.890245  5663.777       404.5532 5496.516       
560.3010 5845.941       584.7298 161.1779 8.280128 166.2064 8.379704 -5.028488 
11.78049 
1 1 1 14  0   10 o 87.19667 5.118376  1598.393       186.6832 1420.182       
254.8242 1804.836       274.2665 81.96449 7.405188 92.42886 7.067833 -10.46436 
10.23675 
1 1 1 14  0   11 f 88.73916 4.461883  1671.933       156.7158 1691.380       
192.5648 1633.789       269.6894 89.59404 5.119397 87.88428 7.309266 1.709763 
8.923766 
1 1 1 14  0   12 o 190.0413 6.247186  7641.420       486.6085 7844.920       
781.8256 7512.740       621.7057 191.8496 9.706663 188.2329 7.867022 3.616730 
12.49437 
1 1 1 14  0   13 o 170.5887 6.847923  6216.274       486.4936 6206.841       
735.4540 6223.614       648.6960 170.2859 10.28722 170.8914 9.041533 
-0.6055756     13.69585 
1 1 1 14  0   14 o 103.6818 4.561689  2295.413       196.1729 2135.530       
295.1557 2421.930       262.5575 100.3391 7.006513 107.0245 5.843354 -6.685402 
9.123378 
1 1 1 14  0   15 o 70.70456 5.297448  1062.407       155.8346 1072.892       
237.2626 1054.452       206.6598 70.94927 7.965307 70.45985 6.986109 0.4894180 
10.59490 
1 1 1 14  0   16 o 168.6817 6.642190  6145.745       459.3258 5952.686       
725.9908 6274.610       593.1325 166.0167 10.41599 171.3467 8.245120 -5.330017 
13.28438 
1 1 1 14  0   17 o 104.4760 4.630143  2313.140       198.7505 2343.672       
316.1607 2293.191       255.5625 104.9219 7.177328 104.0300 5.851398 0.8919296 
9.260286 
1 1 1 14  0   18 o 99.47850 4.671555  2104.414       194.7956 2042.864       
280.8756 2161.454       270.3888 98.03655 6.824127 100.9204 6.381614 -2.883888 
9.343110 
1 1 1 14  0   19 o 110.1784 5.644951  2550.112       258.4236 2894.899       
402.3213 2307.938       337.1796 116.3523 8.236051 104.0045 7.722004 12.34779 
11.28990 
1 1 1 14  0   20 f 90.46658 5.211810  1742.764       197.7341 1856.082       
286.4141 1639.569       273.3217 93.28220 7.313355 87.65096 7.427427 5.631233 
10.42362 
1 1 1 14  0   21 o 84.28458 5.174689  1515.235       182.3357 1721.490       
265.6440 1331.496       250.7255 89.74790 7.050126 78.82126 7.576632 10.92664 
10.34938 
1 1 1 14  0   22 o 44.37100 8.092098  457.3465       152.5124 391.2173       
224.7886 513.7518       207.6048 41.34138 12.15376 47.40062 10.68711 -6.059242 
16.18420 
1 1 1 14  0   23 o 86.67227 4.956514  1620.749       180.1308 1573.489       
258.7328 1665.202       250.9331 85.37669 7.218272 87.96786 6.794459 -2.591179 
9.913028 
1 1 1 14  0   24 o 77.71390 5.515511  1349.156       175.0620 1537.617       
234.4483 1111.660       263.1865 84.40895 6.615759 71.01884 8.826958 13.39011 
11.03102 
1 1 1 14  0   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  0   26 o 72.87886 5.746401  1184.245       175.6798 1226.541       
254.8302 1145.935       242.5239 74.08131 8.193384 71.67640 8.059340 2.404915 
11.49280 
1 1 1 14  0   27 o 24.57449 7.054311  85.24654       114.2449 -19.39018      
203.4054 133.4675       138.0825 23.34440 10.36004 25.80459 9.577199 -2.460184 
14.10862 
1 1 1 14  0   28 f 34.72258 7.583710  242.7969       118.4008 494.8957       
218.6045 138.1421       140.8488 43.60582 11.69653 25.83934 9.656181 17.76648 
15.16742 
1 1 1 14  0   29 o 20.33570 6.483223  -41.30013      119.8067 -208.2007      
208.9651 40.42643       146.2266 19.09823 9.150508 21.57317 9.186782 -2.474939 
12.96645 
1 1 1 14  0   30 o 27.61971 7.631327  167.1516       122.0111 204.6538       
213.9251 149.0708       148.5395 29.38368 11.65775 25.85573 9.851165 3.527946 
15.26265 
1 1 1 14  0   31 o 32.15839 7.545612  303.5344       132.6901 89.88499       
248.5361 388.7100       156.9265 26.06719 11.52479 38.24959 9.742912 -12.18240 
15.09122 
1 1 1 14  0   32 o 50.14000 8.834586  698.9565       140.2825 939.9644       
394.4479 664.0598       150.0955 47.30423 16.32962 52.97577 6.748565 -5.671539 
17.66917 
1 1 1 14  0   33 o 29.98529 6.928277  306.6501       125.4124 -100.1553      
297.8817 394.2924       138.2634 22.08916 10.66591 37.88143 8.845479 -15.79227 
13.85655 
1 1 1 14  0   34 o 21.79370 6.941950  87.21857       127.4683 -106.1966      
305.8892 127.8632       140.2233 21.24542 10.37671 22.34199 9.224238 -1.096569 
13.88390 
1 1 1 14  1   0  o 433.2109 15.14168  40798.82       2736.994 40421.19       
3667.469 41273.54       4111.938 431.7766 20.23152 434.6452 22.53371 -2.868652 
30.28337 
1 1 1 14  1   1  o 114.4134 4.277737  2620.766       185.0627 3068.089       
360.5015 2460.704       215.6454 120.6539 7.116832 108.1729 4.748351 12.48106 
8.555474 
1 1 1 14  1   2  o 301.7543 9.696545  19448.95       1215.862 19020.13       
1844.725 19778.32       1616.724 298.4692 14.72154 305.0395 12.62411 -6.570251 
19.39309 
1 1 1 14  1   3  o 65.34344 4.971135  877.3660       134.0866 1142.958       
207.0926 685.6559       175.9461 73.65759 6.696812 57.02930 7.348566 16.62829 
9.942269 
1 1 1 14  1   4  o 114.0532 4.563715  2667.023       211.7671 3028.969       
354.0687 2465.437       264.2384 119.8815 7.034875 108.2249 5.815539 11.65665 
9.127429 
1 1 1 14  1   5  o 286.4694 10.04606  17517.05       1196.929 17517.98       
1820.438 17516.34       1588.580 286.1494 15.15319 286.7894 13.19371 
-0.6400452     20.09212 
1 1 1 14  1   6  o 280.1333 9.467283  16770.93       1106.412 16335.83       
1647.636 17128.27       1493.151 276.5507 14.19082 283.7159 12.53548 -7.165222 
18.93457 
1 1 1 14  1   7  o 212.7688 8.158472  9531.740       719.3745 9104.547       
935.9512 10148.39       1124.503 207.1633 10.76122 218.3743 12.26535 -11.21098 
16.31694 
1 1 1 14  1   8  o 154.4543 5.845192  5004.215       374.8120 4805.757       
490.4732 5282.793       581.1060 150.8634 7.743768 158.0452 8.757804 -7.181702 
11.69038 
1 1 1 14  1   9  o 162.9568 5.913142  5575.818       402.9187 5177.898       
540.9718 6071.570       603.8211 156.4921 8.233856 169.4214 8.489088 -12.92932 
11.82628 
1 1 1 14  1   10 o 46.74764 7.648786  481.5989       147.4556 412.2834       
203.8887 557.6119       213.5115 43.19365 11.16494 50.30163 10.45753 -7.107983 
15.29757 
1 1 1 14  1   11 o 218.6335 7.349107  10060.40       624.5612 9874.024       
749.6754 10483.24       1129.183 215.9193 8.269952 221.3479 12.15094 -5.428604 
14.69821 
1 1 1 14  1   12 o 144.2343 6.212004  4424.388       375.3061 4557.721       
518.6404 4277.818       543.7774 146.5841 8.427532 141.8844 9.128674 4.699768 
12.42401 
1 1 1 14  1   13 o 207.5944 8.022878  9245.472       671.2437 9234.872       
1116.326 9251.475       840.0778 206.8747 12.85301 208.3142 9.605539 -1.439453 
16.04576 
1 1 1 14  1   14 o 26.63444 7.316819  82.87022       123.1962 -24.85801      
184.7529 169.1224       165.3148 23.35895 10.14372 29.90993 10.54743 -6.550987 
14.63364 
1 1 1 14  1   15 o 97.06886 5.053203  2002.211       205.7206 1938.946       
294.4610 2062.533       287.5286 95.53953 7.341178 98.59821 6.945973 -3.058678 
10.10641 
1 1 1 14  1   16 o 68.15348 5.513643  992.1661       156.5449 842.0250       
218.8961 1149.344       223.9668 62.79495 8.302987 73.51201 7.256822 -10.71706 
11.02729 
1 1 1 14  1   17 o 140.0509 5.549600  4258.001       318.2834 4584.056       
417.3602 3804.812       492.0456 146.8641 6.768874 133.2377 8.796283 13.62637 
11.09920 
1 1 1 14  1   18 o 55.96141 6.445013  689.7556       145.4369 628.9672       
219.8757 737.0388       193.9189 53.16185 10.21591 58.76097 7.860537 -5.599121 
12.89003 
1 1 1 14  1   19 o 123.6561 4.704462  3225.583       243.3587 2969.970       
327.9478 3538.835       363.0445 118.2523 6.605658 129.0598 6.700234 -10.80746 
9.408924 
1 1 1 14  1   20 o 89.68946 4.824927  1705.564       181.3672 1801.960       
266.2343 1622.092       247.7462 92.03539 6.890175 87.34353 6.756121 4.691864 
9.649855 
1 1 1 14  1   21 o 75.67345 5.753305  1249.455       178.9216 1090.611       
271.0869 1372.061       238.1647 71.14294 9.076068 80.20396 7.072983 -9.061020 
11.50661 
1 1 1 14  1   22 o 84.20288 5.749291  1467.555       194.2275 1731.362       
337.7702 1337.234       237.4032 89.39118 9.000108 79.01458 7.156496 10.37660 
11.49858 
1 1 1 14  1   23 o 35.29829 7.934277  272.6848       136.3085 360.0508       
189.3824 178.7770       196.3448 39.61707 11.00152 30.97951 11.43581 8.637560 
15.86855 
1 1 1 14  1   24 o 40.34072 7.446420  382.6171       127.5367 423.1092       
166.9158 325.8156       197.6933 43.00666 9.498556 37.67478 11.47058 5.331882 
14.89284 
1 1 1 14  1   25 o 54.44358 7.343975  710.2077       160.3307 473.1048       
236.5556 911.6762       218.0562 44.42418 12.28084 64.46299 8.057104 -20.03881 
14.68795 
1 1 1 14  1   26 o 43.23198 8.087915  425.5427       141.3599 0.000000       
0.000000 425.5427       141.3599 ?        ?        43.23198 8.087915 ? ? 
1 1 1 14  1   27 f 53.25912 6.176234  651.2415       123.0900 650.6019       
221.7736 651.5262       147.9743 52.00457 10.52525 54.51368 6.465497 -2.509102 
12.35247 
1 1 1 14  1   28 o 38.31631 7.404159  335.1157       112.6093 445.2287       
215.6143 293.8148       132.0499 41.64671 11.79557 34.98591 8.952701 6.660801 
14.80832 
1 1 1 14  1   29 o 40.16472 7.489153  431.7363       127.4447 331.3706       
223.7212 479.9528       155.0645 35.54899 12.29547 44.78045 8.554017 -9.231464 
14.97831 
1 1 1 14  1   30 o 33.92671 7.919230  287.8921       124.5914 373.9365       
219.0087 246.7208       151.4946 36.72236 12.17720 31.13106 10.12781 5.591295 
15.83846 
1 1 1 14  1   31 o 49.51913 7.169043  613.0151       137.8358 747.7732       
239.7194 546.4579       168.4701 52.36404 11.22846 46.67423 8.916406 5.689804 
14.33809 
1 1 1 14  1   32 o 38.54255 7.588004  492.0430       143.0120 151.0484       
338.3987 566.1880       157.7959 28.75896 13.03162 48.32614 7.777405 -19.56718 
15.17601 
1 1 1 14  1   33 o 24.61340 7.801842  92.70702       128.3066 163.5928       
338.7773 80.83649       138.6340 27.70557 12.71507 21.52122 9.044436 6.184359 
15.60368 
1 1 1 14  1   34 o 26.47165 6.899623  222.6292       129.4291 -260.0266      
301.8777 331.3355       143.2649 19.86379 9.819046 33.07952 9.695644 -13.21573 
13.79925 
1 1 1 14  2   0  o 155.2292 5.434061  5047.875       348.1787 4904.473       
449.9135 5261.986       549.7558 152.5577 7.024508 157.9007 8.292910 -5.342941 
10.86812 
1 1 1 14  2   1  o 298.1850 8.646091  18941.38       1064.798 18520.34       
1651.569 19240.89       1392.949 295.0190 13.33422 301.3510 11.00991 -6.331940 
17.29218 
1 1 1 14  2   2  o 240.3628 8.305717  12086.34       812.2742 11597.98       
1019.966 12933.07       1343.036 234.0920 10.37815 246.6335 12.97049 -12.54149 
16.61143 
1 1 1 14  2   3  o 150.5347 4.988654  4722.750       312.7783 5181.415       
480.4431 4385.360       412.0599 156.7885 7.298755 144.2809 6.802563 12.50763 
9.977308 
1 1 1 14  2   4  o 200.5546 6.244804  8494.656       525.8049 8438.683       
743.1790 8550.756       744.0225 199.8898 8.855721 201.2194 8.807187 -1.329651 
12.48961 
1 1 1 14  2   5  o 301.3159 10.16724  19419.20       1254.936 19592.10       
1612.265 19153.42       1998.917 303.5736 12.65008 299.0583 15.92063 4.515350 
20.33448 
1 1 1 14  2   6  o 225.4564 6.976532  10679.95       646.4697 11123.84       
1034.048 10395.14       828.2997 229.1063 10.75040 221.8065 8.894762 7.299820 
13.95306 
1 1 1 14  2   7  o 226.4807 8.837857  10913.38       840.3275 10850.48       
1189.457 10976.06       1187.351 225.8176 12.54619 227.1438 12.45086 -1.326126 
17.67571 
1 1 1 14  2   8  o 75.58176 5.696072  1196.152       179.9332 1098.125       
240.9963 1319.628       270.4752 72.11752 7.959589 79.04600 8.150207 -6.928482 
11.39214 
1 1 1 14  2   9  o 173.8371 6.072361  6277.874       425.8194 6003.927       
527.8375 6788.435       720.5945 168.6566 7.454492 179.0175 9.587745 -10.36093 
12.14472 
1 1 1 14  2   10 o 188.3149 7.227318  7417.978       555.8458 7075.129       
701.4096 7996.786       911.3547 182.7623 9.141262 193.8675 11.19705 -11.10519 
14.45464 
1 1 1 14  2   11 o 38.85013 6.725680  342.3482       110.2032 245.6007       
167.4378 416.2893       146.3783 34.05259 10.59493 43.64767 8.287728 -9.595078 
13.45136 
1 1 1 14  2   12 o 96.37315 4.936932  1981.335       188.7684 1903.693       
321.8032 2022.067       233.0820 94.81246 8.084367 97.93383 5.668879 -3.121368 
9.873863 
1 1 1 14  2   13 o 314.7381 12.91512  21818.75       1694.834 22208.77       
2558.040 21513.57       2262.747 316.3839 19.25813 313.0923 17.21412 3.291626 
25.83024 
1 1 1 14  2   14 o 116.1360 4.805452  2609.979       207.1620 3391.703       
423.9912 2364.835       237.4328 126.3997 7.989728 105.8724 5.341696 20.52731 
9.610904 
1 1 1 14  2   15 o 153.2728 5.882327  5026.919       365.2178 4898.306       
596.7668 5103.935       461.7969 151.4064 9.388183 155.1392 7.090072 -3.732788 
11.76465 
1 1 1 14  2   16 o 83.80534 4.812164  1500.052       166.8497 1197.166       
233.7530 1814.659       238.2330 75.03858 7.419826 92.57210 6.129753 -17.53352 
9.624328 
1 1 1 14  2   17 o 71.93517 5.209732  1086.629       155.5410 1198.585       
242.9163 1008.832       202.4959 74.98427 7.716273 68.88605 7.001739 6.098213 
10.41946 
1 1 1 14  2   18 o 56.56843 6.427097  690.2935       148.1470 822.2221       
219.9691 580.7766       200.4163 61.97886 8.453552 51.15800 9.683376 10.82085 
12.85419 
1 1 1 14  2   19 o 88.67325 4.955036  1629.383       179.4483 1855.459       
296.9343 1499.309       225.2313 93.29491 7.580947 84.05158 6.382692 9.243324 
9.910071 
1 1 1 14  2   20 o 67.89180 5.763885  980.6579       163.8425 1086.103       
240.2796 889.0225       223.9933 71.30582 8.026258 64.47778 8.274581 6.828041 
11.52777 
1 1 1 14  2   21 o 91.66484 5.370101  1793.314       206.5668 1812.870       
297.3540 1775.074       287.1712 92.12866 7.687764 91.20103 7.500016 0.9276352 
10.74020 
1 1 1 14  2   22 o 149.4165 5.835205  4788.949       363.8040 4892.957       
547.8976 4706.931       486.5428 150.6860 8.660591 148.1469 7.822571 2.539093 
11.67041 
1 1 1 14  2   23 o 122.5803 4.960807  3176.596       241.0803 3086.212       
294.0554 3361.899       421.0398 120.3622 5.819155 124.7984 8.035910 -4.436203 
9.921614 
1 1 1 14  2   24 o 113.5908 4.785578  2771.754       228.0150 2706.373       
314.5393 2844.163       331.0151 112.2171 6.676317 114.9645 6.858119 -2.747421 
9.571156 
1 1 1 14  2   25 o 47.62467 7.061769  517.1801       135.9493 474.5163       
180.9056 572.5358       206.0646 45.41259 9.768619 49.83675 10.20041 -4.424156 
14.12354 
1 1 1 14  2   26 o 96.33400 4.626034  1941.263       172.5589 2197.663       
319.4573 1835.631       205.0463 100.1349 7.598856 92.53307 5.278081 7.601875 
9.252068 
1 1 1 14  2   27 o 31.68866 7.600131  194.4534       110.5210 328.5260       
212.8118 144.9377       129.3294 36.99636 12.00272 26.38095 9.326450 10.61541 
15.20026 
1 1 1 14  2   28 o 44.52206 11.25116  494.6130       210.5162 494.6130       
210.5162 0.000000       0.000000 44.52206 11.25116 ?        ?        ? ? 
1 1 1 14  2   29 o 66.41597 5.294962  981.3801       142.3701 1073.164       
238.4841 930.5573       177.4620 68.19818 8.329285 64.63375 6.539840 3.564430 
10.58992 
1 1 1 14  2   30 o 36.73202 7.827343  324.0900       128.3515 494.0473       
216.8146 232.3937       159.2554 42.87838 11.71504 30.58566 10.38398 12.29272 
15.65469 
1 1 1 14  2   31 o 50.06364 7.674778  595.0992       144.0739 868.5160       
277.5255 494.2270       168.5684 55.94105 12.15668 44.18622 9.371448 11.75483 
15.34956 
1 1 1 14  2   32 o 44.97877 8.135914  646.9490       147.8217 427.6231       
349.7758 694.6400       163.1033 35.62944 14.61634 54.32809 7.150877 -18.69865 
16.27183 
1 1 1 14  2   33 o 19.66067 6.641373  -80.12548      127.5894 -203.2277      
294.1500 -51.59701      141.6039 21.68220 10.49215 17.63914 8.145320 4.043053 
13.28275 
1 1 1 14  2   34 o 21.26978 7.038640  11.64444       130.6889 -26.09940      
303.5916 20.22965       144.7912 23.24612 11.11174 19.29343 8.642860 3.952684 
14.07728 
1 1 1 14  2   35 o 25.83826 7.133110  210.8245       126.1483 33.18809       
215.7353 303.1182       155.5038 21.27402 9.911509 30.40250 10.26095 -9.128489 
14.26622 
1 1 1 14  3   0  o 84.91736 3.964248  1490.418       139.4562 1362.598       
180.3443 1680.525       219.9389 80.47896 5.337540 89.35576 5.862740 -8.876801 
7.928496 
1 1 1 14  3   1  o 288.0731 7.483479  17473.78       896.1251 16930.28       
1178.955 18217.44       1379.068 282.9422 9.924773 293.2040 11.20307 -10.26184 
14.96696 
1 1 1 14  3   2  o 103.3073 4.262928  2226.573       183.3307 2393.656       
281.7447 2103.880       241.4353 106.6263 6.293795 99.98842 5.751381 6.637856 
8.525857 
1 1 1 14  3   3  o 252.6625 7.045020  13466.99       745.9821 12972.50       
1018.764 14038.62       1095.351 247.7052 9.796240 257.6198 10.12733 -9.914612 
14.09004 
1 1 1 14  3   4  o 86.32698 4.795303  1564.888       173.1756 1388.212       
238.3246 1762.528       252.0675 81.17136 6.993378 91.48260 6.562956 -10.31123 
9.590607 
1 1 1 14  3   5  o 240.5265 8.370690  12259.23       842.2809 12086.98       
1140.481 12465.91       1249.268 238.7686 11.37711 242.2844 12.28150 -3.515884 
16.74138 
1 1 1 14  3   6  o 359.0146 10.85676  27687.37       1607.032 26866.79       
2499.867 28265.32       2097.967 353.7956 16.83006 364.2338 13.71954 -10.43820 
21.71351 
1 1 1 14  3   7  o 35.38895 7.927575  255.1821       132.5720 319.4411       
197.7257 202.7023       178.6868 38.53808 11.41938 32.23982 10.99925 6.298260 
15.85515 
1 1 1 14  3   8  o 145.0294 6.294811  4472.342       368.0174 4543.284       
462.2043 4349.470       608.2892 146.7550 7.501744 143.3039 10.11051 3.451019 
12.58962 
1 1 1 14  3   9  o 205.7479 8.768485  9032.232       755.4058 9318.685       
1041.853 8714.723       1096.880 209.3199 11.85542 202.1759 12.92263 7.143997 
17.53697 
1 1 1 14  3   10 o 42.10506 5.983072  387.9752       103.7283 234.3643       
144.1345 553.0031       149.3949 33.00951 9.740985 51.20060 6.949950 -18.19108 
11.96614 
1 1 1 14  3   11 o 152.4909 5.711259  4911.316       363.1425 4964.665       
547.7395 4869.476       485.0738 153.1670 8.517851 151.8148 7.610527 1.352142 
11.42252 
1 1 1 14  3   12 o 59.68490 6.073170  752.0018       151.2473 778.2962       
228.4570 731.4844       201.8056 60.58483 8.981766 58.78497 8.176887 1.799858 
12.14634 
1 1 1 14  3   13 o 123.5056 4.928206  3211.559       250.5587 3287.189       
397.3536 3161.637       322.8294 124.6288 7.594160 122.3824 6.283119 2.246460 
9.856412 
1 1 1 14  3   14 o 167.9598 6.606973  6014.146       464.5091 5889.019       
679.4784 6123.932       636.4598 166.2164 9.736949 169.7033 8.933094 -3.486877 
13.21395 
1 1 1 14  3   15 o 203.2150 8.388083  8856.235       710.0325 9222.176       
1082.281 8579.719       940.7946 206.6053 12.47727 199.8246 11.21416 6.780731 
16.77617 
1 1 1 14  3   16 o 291.7906 10.28079  18769.16       1218.933 19030.41       
1550.109 18345.88       1973.094 296.1523 12.46718 287.4290 16.35077 8.723358 
20.56157 
1 1 1 14  3   17 o 33.04778 7.677985  217.9842       132.6309 72.12175       
199.0539 334.4473       177.8661 27.34321 11.09058 38.75234 10.62096 -11.40913 
15.35597 
1 1 1 14  3   18 f 126.2347 4.947027  3425.610       258.1929 3644.281       
343.8046 3142.763       391.0139 131.0713 6.247770 121.3981 7.671874 9.673225 
9.894053 
1 1 1 14  3   19 o 107.2662 5.090779  2425.929       227.3955 2630.505       
349.2353 2275.360       299.6102 111.0926 7.487794 103.4398 6.899064 7.652870 
10.18156 
1 1 1 14  3   20 o 101.9821 4.797226  2216.881       204.5258 1989.976       
289.8539 2441.884       288.6362 96.70213 7.139440 107.2621 6.409518 -10.56001 
9.594452 
1 1 1 14  3   21 o 122.9709 5.444573  3224.806       280.8773 3286.839       
406.6227 3168.196       388.4418 124.0731 7.806116 121.8688 7.591972 2.204353 
10.88915 
1 1 1 14  3   22 o 61.79457 6.482108  845.0831       160.6262 662.9728       
228.5749 1022.752       225.7704 54.45120 10.37172 69.13794 7.778067 -14.68674 
12.96422 
1 1 1 14  3   23 o 89.58157 4.219357  1705.099       157.1532 1686.067       
207.7904 1730.536       240.2155 89.08108 5.555985 90.08206 6.351608 -1.000984 
8.438714 
1 1 1 14  3   24 o 43.64194 7.155346  448.5597       134.4025 587.8802       
179.0633 268.7915       203.4021 52.07583 8.190142 35.20805 11.73531 16.86777 
14.31069 
1 1 1 14  3   25 o 30.97321 8.102627  179.5478       141.1037 225.5072       
197.1812 131.3108       202.0078 32.86117 11.52606 29.08525 11.39124 3.775925 
16.20525 
1 1 1 14  3   26 o 51.67229 5.723346  556.3227       116.8129 675.7424       
210.9012 503.4749       140.2989 55.16966 9.105415 48.17492 6.936726 6.994747 
11.44669 
1 1 1 14  3   27 o 91.18179 4.429847  1789.853       159.0207 1844.788       
279.4337 1763.541       193.3897 91.70161 7.258099 90.66198 5.080767 1.039635 
8.859694 
1 1 1 14  3   28 o 97.39769 4.830396  2123.063       177.7711 2008.045       
327.1067 2171.273       211.7756 94.43616 8.250346 100.3592 5.026200 -5.923065 
9.660791 
1 1 1 14  3   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  3   30 o 26.14445 7.264577  35.29713       125.2818 307.9048       
209.6889 -116.0340      156.2322 34.52160 11.90714 17.76730 8.325642 16.75429 
14.52915 
1 1 1 14  3   31 o 22.05004 7.213309  -30.46025      129.0773 -100.2265      
296.6071 -14.16109      143.3644 24.66098 11.54062 19.43909 8.656866 5.221895 
14.42662 
1 1 1 14  3   32 o 36.61855 8.066008  412.1886       137.0745 187.8248       
353.4032 451.9199       148.7169 30.68636 13.63233 42.55074 8.625626 -11.86438 
16.13202 
1 1 1 14  3   33 o 33.81261 9.026949  254.2785       133.5045 624.5477       
346.1575 189.5788       144.6992 40.52196 15.13893 27.10326 9.836468 13.41870 
18.05390 
1 1 1 14  3   34 o 26.63920 8.305321  140.6196       183.3173 293.8186       
274.1468 16.71754       246.5441 30.08330 12.68418 23.19509 10.72496 6.888206 
16.61064 
1 1 1 14  3   35 o 29.09959 6.455155  237.6964       129.7829 -216.1616      
217.9796 486.9371       161.5346 17.55896 8.624278 40.64022 9.607183 -23.08126 
12.91031 
1 1 1 14  4   0  o 281.9803 8.001404  16908.93       941.7462 16303.21       
1394.580 17416.70       1276.854 277.1557 11.98507 286.8049 10.60414 -9.649261 
16.00281 
1 1 1 14  4   1  o 195.0797 5.677671  7974.068       458.4980 8337.996       
717.3445 7722.708       596.1690 198.7491 8.596937 191.4102 7.418657 7.338837 
11.35534 
1 1 1 14  4   2  o 410.9877 10.67605  36061.58       1841.632 35800.41       
2629.137 36313.17       2580.467 409.4370 15.29492 412.5384 14.89892 -3.101440 
21.35211 
1 1 1 14  4   3  o 119.0476 4.490367  2888.289       215.2014 2670.004       
264.5348 3315.429       370.0462 112.6498 5.593371 125.4455 7.026223 -12.79575 
8.980735 
1 1 1 14  4   4  o 128.8098 4.265996  3491.392       229.2497 3500.961       
344.2452 3483.767       307.3064 128.9491 6.358733 128.6705 5.688708 0.2786102 
8.531992 
1 1 1 14  4   5  f 121.9239 4.042898  3116.205       206.5297 2934.749       
281.4699 3327.847       303.9817 118.0957 5.677001 125.7521 5.757756 -7.656387 
8.085795 
1 1 1 14  4   6  o 554.3307 15.11928  66756.30       3513.466 67406.44       
5119.089 66177.27       4831.000 556.4029 21.91414 552.2584 20.83606 4.144470 
30.23857 
1 1 1 14  4   7  o 104.9835 5.232525  2298.440       221.8979 2233.660       
276.4142 2415.854       372.1340 102.9842 6.393091 106.9828 8.285267 -3.998573 
10.46505 
1 1 1 14  4   8  o 354.1599 14.99335  27326.77       2220.158 27313.81       
3008.393 27342.27       3290.031 354.6633 20.20409 353.6564 22.15846 1.006927 
29.98671 
1 1 1 14  4   9  o 97.16844 4.557171  1992.944       185.5304 2063.306       
257.3312 1916.775       267.7373 98.97157 6.193029 95.36533 6.687125 3.606239 
9.114343 
1 1 1 14  4   10 o 220.6897 7.004360  10334.41       641.9489 10227.21       
979.7806 10415.05       849.7474 219.5279 10.63066 221.8514 9.123230 -2.323532 
14.00872 
1 1 1 14  4   11 o 80.11502 4.419544  1354.990       148.0145 1376.811       
201.1706 1329.235       218.5568 80.83597 5.927629 79.39407 6.556881 1.441895 
8.839087 
1 1 1 14  4   12 o 290.8948 9.986852  18237.42       1184.032 18430.10       
1509.568 17929.36       1908.756 293.7275 12.24134 288.0621 15.78285 5.665466 
19.97370 
1 1 1 14  4   13 o 136.7456 4.702901  3931.607       269.3886 3692.167       
366.3973 4213.337       397.4393 132.2394 6.599523 141.2519 6.701896 -9.012466 
9.405802 
1 1 1 14  4   14 o 133.9627 5.006310  3768.143       280.3708 4281.473       
415.5657 3339.267       379.8460 142.2934 6.956265 125.6320 7.201591 16.66141 
10.01262 
1 1 1 14  4   15 o 195.5752 7.528372  8149.805       610.3215 8431.492       
947.6880 7950.180       797.7889 198.1736 11.39044 192.9768 9.846997 5.196808 
15.05674 
1 1 1 14  4   16 o 184.8890 6.702574  7305.547       520.1078 7554.700       
739.2055 7061.272       731.9354 188.0508 9.362913 181.7272 9.593427 6.323608 
13.40515 
1 1 1 14  4   17 o 117.3865 5.310727  2930.449       260.4222 2931.022       
388.0482 2929.979       351.2765 117.3208 7.878289 117.4523 7.123751 
-0.1315231     10.62145 
1 1 1 14  4   18 o 80.20029 4.629275  1362.267       150.1560 1354.105       
188.3777 1376.489       248.6660 79.98914 5.609440 80.41145 7.365796 
-0.4223022     9.258551 
1 1 1 14  4   19 o 135.7840 4.686826  3917.198       267.0251 3743.621       
375.6913 4094.406       379.6001 132.7158 6.742632 138.8522 6.511703 -6.136398 
9.373652 
1 1 1 14  4   20 o 125.1137 4.557099  3288.197       234.8226 3497.043       
374.7901 3153.232       301.2919 128.2343 6.961533 121.9930 5.882658 6.241341 
9.114198 
1 1 1 14  4   21 o 52.72747 7.215044  604.6244       156.2198 715.2578       
232.4737 513.5307       210.9479 57.64993 9.604974 47.80502 10.76902 9.844902 
14.43009 
1 1 1 14  4   22 o 96.21529 4.991836  1897.314       190.7553 1755.210       
230.9348 2202.498       338.4286 90.94724 6.048129 101.4833 7.943162 -10.53609 
9.983671 
1 1 1 14  4   23 o 147.2482 4.818253  4631.294       296.4420 4583.371       
439.9011 4671.162       401.2274 146.4258 7.155802 148.0706 6.454204 -1.644806 
9.636506 
1 1 1 14  4   24 o 66.65102 5.514768  954.5012       150.4075 943.3126       
191.9478 972.2991       242.0914 66.33887 6.891852 66.96317 8.611216 
-0.6242905     11.02954 
1 1 1 14  4   25 o 35.47203 7.240928  303.8314       113.1442 173.0280       
216.0258 353.2768       132.8186 31.33216 11.89689 39.61190 8.257615 -8.279739 
14.48186 
1 1 1 14  4   26 f 45.99469 6.735880  539.2106       116.5634 333.2799       
213.5221 626.6350       139.1229 37.99932 11.99237 53.99005 6.137703 -15.99073 
13.47176 
1 1 1 14  4   27 f 112.0360 4.709710  2686.581       207.0281 2837.799       
368.2939 2616.724       250.3210 113.6677 7.717531 110.4043 5.400481 3.263466 
9.419420 
1 1 1 14  4   28 o 41.15914 7.029797  375.0804       109.2086 471.6103       
213.7999 341.0030       127.0310 43.86628 11.47730 38.45200 8.120578 5.414284 
14.05959 
1 1 1 14  4   29 o 55.96138 6.099426  714.9380       128.9976 745.1395       
230.6735 701.1954       155.6028 55.56909 10.27411 56.35367 6.576824 
-0.7845764     12.19885 
1 1 1 14  4   30 f 31.35856 10.58369  238.8500       165.4401 0.000000       
0.000000 238.8500       165.4401 ?        ?        31.35856 10.58369 ? ? 
1 1 1 14  4   31 o 37.95920 8.712240  353.2733       129.2898 461.5489       
335.1821 334.3473       140.1346 39.24387 14.84304 36.67454 9.126702 2.569328 
17.42448 
1 1 1 14  4   32 o 32.41008 8.096209  290.6245       130.0988 117.9560       
340.0168 320.2390       140.8142 29.47566 13.22334 35.34450 9.345464 -5.868841 
16.19242 
1 1 1 14  4   33 o 23.71257 7.690546  34.44779       127.4569 16.12412       
351.8831 37.21487       136.7424 27.05677 12.62606 20.36836 8.784105 6.688410 
15.38109 
1 1 1 14  4   34 o 27.91428 8.068878  193.8532       128.6073 225.2039       
308.3180 187.2493       141.5057 29.19515 12.88115 26.63341 9.721277 2.561747 
16.13776 
1 1 1 14  4   35 o 21.24696 6.827348  29.90664       126.4614 103.8000       
215.7951 -8.743735      156.0687 23.59800 10.56175 18.89592 8.654484 4.702078 
13.65470 
1 1 1 14  4   36 f 26.38660 6.501261  184.1671       127.1210 -275.2074      
225.5452 398.0302       153.8927 16.98331 8.417411 35.78989 9.910235 -18.80658 
13.00252 
1 1 1 14  5   0  o 98.10912 4.359982  2022.386       179.4029 1924.903       
247.2699 2130.737       260.6897 95.61817 6.159590 100.6001 6.172295 -4.981903 
8.719964 
1 1 1 14  5   1  o 209.3200 5.859531  9268.095       513.4644 8854.186       
744.0707 9644.394       709.4614 204.7984 8.653839 213.8417 7.902372 -9.043335 
11.71906 
1 1 1 14  5   2  o 221.2968 5.991982  10338.02       556.4895 10026.71       
788.0382 10647.69       785.9560 217.9533 8.612017 224.6402 8.333582 -6.686951 
11.98396 
1 1 1 14  5   3  o 194.2050 5.321117  7900.124       429.9597 7597.514       
566.5737 8311.040       660.2230 189.8912 7.106776 198.5188 7.921546 -8.627625 
10.64223 
1 1 1 14  5   4  o 260.1546 8.278536  14394.52       865.8799 14505.18       
1081.673 14197.10       1444.743 261.9341 9.836144 258.3752 13.31867 3.558899 
16.55707 
1 1 1 14  5   5  o 311.8217 9.751590  20755.80       1269.875 21310.19       
1724.088 20098.40       1877.446 316.6372 12.96936 307.0061 14.56605 9.631134 
19.50318 
1 1 1 14  5   6  o 281.4103 8.944149  16846.21       1032.636 16920.40       
1328.552 16732.99       1641.256 282.5607 11.19922 280.2599 13.94879 2.300873 
17.88830 
1 1 1 14  5   7  o 166.5647 6.171002  5884.078       428.7015 6116.917       
581.1965 5606.212       634.9092 170.2601 8.130759 162.8693 9.285249 7.390854 
12.34200 
1 1 1 14  5   8  o 157.0547 6.988221  5164.065       455.2194 4884.250       
592.7304 5566.442       710.7863 151.9964 9.288490 162.1129 10.44341 -10.11659 
13.97644 
1 1 1 14  5   9  o 511.0295 16.23694  57530.97       3120.817 57805.51       
3687.524 56837.93       5858.727 518.3048 16.94614 503.7542 27.70165 14.55057 
32.47388 
1 1 1 14  5   10 o 24.45665 7.213635  11.89846       126.4299 -67.01788      
181.2473 86.68990       176.4469 22.00290 9.770228 26.91039 10.61550 -4.907488 
14.42727 
1 1 1 14  5   11 o 177.9277 7.136362  6658.000       526.5609 7066.715       
820.6323 6371.953       686.5240 182.4137 10.71549 173.4416 9.428088 8.972168 
14.27272 
1 1 1 14  5   12 o 248.5263 9.618672  13214.96       1002.797 12713.13       
1384.794 13768.25       1454.081 243.5964 13.54052 253.4563 13.66491 -9.859894 
19.23734 
1 1 1 14  5   13 o 173.3117 6.732252  6382.486       489.2781 6033.057       
692.2797 6731.237       691.6083 168.5130 9.785187 178.1103 9.248945 -9.597275 
13.46450 
1 1 1 14  5   14 o 77.59518 4.839749  1265.252       156.7422 1085.722       
213.8173 1473.800       230.4500 71.65828 7.107183 83.53208 6.571196 -11.87380 
9.679498 
1 1 1 14  5   15 o 78.22583 4.197503  1280.952       136.9135 1383.923       
208.8146 1203.302       181.3310 80.94358 6.144684 75.50807 5.720050 5.435509 
8.395005 
1 1 1 14  5   16 o 86.76628 5.044294  1541.670       180.0093 1873.908       
292.8598 1339.929       228.2089 93.99081 7.421564 79.54175 6.833740 14.44906 
10.08859 
1 1 1 14  5   17 o 105.1403 4.949037  2371.199       215.9181 2594.528       
293.7122 2108.584       318.5004 110.6897 6.320276 99.59093 7.617478 11.09872 
9.898073 
1 1 1 14  5   18 o 69.83771 4.478160  1034.349       131.1713 976.6622       
184.6518 1093.114       186.3686 67.85508 6.481750 71.82034 6.180824 -3.965256 
8.956320 
1 1 1 14  5   19 o 325.4664 10.01121  23459.44       1364.579 23646.41       
1871.332 23247.13       1994.127 327.4894 13.61052 323.4435 14.68505 4.045898 
20.02241 
1 1 1 14  5   20 o 160.7192 5.182544  5528.418       344.4513 5668.477       
453.2545 5336.957       529.9412 163.3572 6.608835 158.0812 7.984882 5.276001 
10.36509 
1 1 1 14  5   21 o 65.88956 5.165419  889.8264       138.1870 1060.331       
233.7525 798.2262       171.3313 70.48003 7.899711 61.29910 6.657385 9.180935 
10.33084 
1 1 1 14  5   22 o 73.55218 5.099020  1121.485       154.5937 999.4166       
197.1068 1316.600       249.1986 68.54397 6.849413 78.56039 7.555497 -10.01642 
10.19804 
1 1 1 14  5   23 o 61.59240 5.543131  825.7335       140.4547 900.8679       
186.8451 728.1142       212.9760 65.01170 6.845596 58.17309 8.720265 6.838615 
11.08626 
1 1 1 14  5   24 o 31.99446 8.043843  197.7384       141.0667 277.2659       
183.9292 84.12985       219.8353 35.45582 11.11909 28.53310 11.62667 6.922718 
16.08769 
1 1 1 14  5   25 o 96.94849 4.262184  1848.834       159.3145 2425.704       
305.5604 1633.472       186.6992 106.2499 6.849985 87.64708 5.073713 18.60281 
8.524368 
1 1 1 14  5   26 o 42.44059 6.993918  437.3784       119.2022 310.4507       
213.3695 494.9673       143.7222 37.04817 12.01833 47.83301 7.156771 -10.78484 
13.98784 
1 1 1 14  5   27 o 78.98256 4.459704  1337.612       136.6014 1371.465       
246.5947 1322.625       164.0760 79.28204 7.408495 78.68307 4.966894 0.5989761 
8.919408 
1 1 1 14  5   28 o 68.58976 4.472492  1042.227       121.5694 958.0441       
204.3287 1088.355       151.2530 65.98030 7.376259 71.19922 5.059992 -5.218918 
8.944983 
1 1 1 14  5   29 o 48.03798 6.718901  667.6570       120.3724 274.6303       
223.9210 827.3930       142.7530 34.32104 12.25801 61.75492 5.505980 -27.43388 
13.43780 
1 1 1 14  5   30 o 25.18578 7.268930  98.23246       115.6597 33.99201       
220.1167 122.7335       135.9381 25.36087 11.04345 25.01070 9.454710 0.3501663 
14.53786 
1 1 1 14  5   31 o 28.04956 8.436318  96.61790       123.6279 249.4771       
345.3756 74.15379       132.4008 33.80003 14.24342 22.29909 9.044929 11.50094 
16.87264 
1 1 1 14  5   32 o 69.33200 13.77512  1388.191       386.7213 1388.191       
386.7213 0.000000       0.000000 69.33200 13.77512 ?        ?        ? ? 
1 1 1 14  5   33 o 30.37081 8.557928  210.2252       125.9449 293.6682       
361.3940 198.6901       134.3685 32.78754 14.21181 27.95407 9.538183 4.833469 
17.11586 
1 1 1 14  5   34 o 24.88380 7.278250  131.5367       121.6389 -22.07564      
261.5393 173.9353       137.4040 23.59705 10.96259 26.17056 9.576708 -2.573503 
14.55650 
1 1 1 14  5   35 o 41.58015 5.837038  552.6588       134.3620 -58.04338      
216.2993 936.3779       171.4538 20.59417 9.678808 62.56612 6.527230 -41.97196 
11.67408 
1 1 1 14  5   36 o 22.32224 6.686123  109.1568       119.3428 -92.81306      
218.9702 194.5024       142.3418 19.23525 9.252522 25.40923 9.654420 -6.173975 
13.37225 
1 1 1 14  6   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  6   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  6   2  o 154.8489 4.705465  5029.623       305.1305 5334.750       
451.6350 4773.386       413.8730 159.1439 6.759566 150.5538 6.547814 8.590027 
9.410930 
1 1 1 14  6   3  o 43.93813 6.561026  417.4747       117.3100 522.7259       
175.2040 331.9449       157.9390 49.00940 8.837946 38.86686 9.699431 10.14255 
13.12205 
1 1 1 14  6   4  o 109.6719 4.142683  2541.662       189.8932 2386.020       
276.3885 2680.819       261.3418 106.4629 6.183617 112.8809 5.514541 -6.418022 
8.285365 
1 1 1 14  6   5  o 78.41074 4.718192  1297.045       154.6914 1269.531       
227.9431 1320.536       210.6162 77.62579 6.994256 79.19569 6.334486 -1.569901 
9.436383 
1 1 1 14  6   6  o 201.5462 8.032894  8563.772       641.8852 8468.931       
785.7120 8754.084       1113.007 200.1939 9.348320 202.8985 13.06593 -2.704529 
16.06579 
1 1 1 14  6   7  o 223.2492 7.080744  10491.75       649.1244 10296.51       
831.7369 10795.95       1038.225 220.7772 8.973313 225.7212 10.95570 -4.943970 
14.16149 
1 1 1 14  6   8  o 225.6720 7.905002  10817.49       747.0408 11092.11       
1028.569 10510.90       1086.784 228.8024 10.70765 222.5416 11.63196 6.260773 
15.81000 
1 1 1 14  6   9  o 146.9757 4.947225  4602.719       300.0838 4863.896       
396.7065 4253.388       458.7978 151.9666 6.217877 141.9847 7.696632 9.981903 
9.894450 
1 1 1 14  6   10 o 244.7986 8.865315  12727.81       903.3032 13006.81       
1376.589 12516.84       1197.068 246.9374 13.27818 242.6597 11.75012 4.277649 
17.73063 
1 1 1 14  6   11 o 213.8809 8.265126  9698.902       737.4442 10022.81       
1114.785 9446.869       983.3455 216.9069 12.24162 210.8548 11.10820 6.052017 
16.53025 
1 1 1 14  6   12 f 238.1604 9.360234  12043.97       921.8023 12644.10       
1448.150 11635.18       1195.212 242.7721 14.20810 233.5487 12.18958 9.223419 
18.72047 
1 1 1 14  6   13 o 143.8764 5.985561  4373.731       360.9788 4735.390       
522.9219 4044.503       498.9252 149.5659 8.327707 138.1869 8.599828 11.37898 
11.97112 
1 1 1 14  6   14 o 134.1053 4.421573  3786.124       248.4612 3654.049       
338.8962 3939.620       365.3471 131.5963 6.134003 136.6143 6.369869 -5.018005 
8.843146 
1 1 1 14  6   15 o 156.6501 5.898470  5132.266       351.8656 5387.758       
660.7516 5031.134       415.7127 158.9858 9.899220 154.3145 6.416639 4.671280 
11.79694 
1 1 1 14  6   16 o 63.90583 5.236202  886.2827       136.8708 746.7632       
207.7363 993.3105       181.9464 59.27076 8.348203 68.54090 6.322877 -9.270142 
10.47240 
1 1 1 14  6   17 o 72.42682 5.168136  1115.815       156.6861 1150.462       
215.6335 1077.059       228.0638 73.65645 6.973110 71.19720 7.629826 2.459251 
10.33627 
1 1 1 14  6   18 o 153.1927 4.946223  4900.507       304.5651 5271.778       
518.9305 4705.417       376.1675 157.3119 7.857218 149.0736 6.010376 8.238266 
9.892447 
1 1 1 14  6   19 o 96.63828 4.802374  1986.993       194.3982 1941.916       
282.7222 2027.416       267.7311 95.55240 7.047569 97.72416 6.525562 -2.171761 
9.604749 
1 1 1 14  6   20 o 186.9815 5.855340  7500.979       457.0457 7730.977       
620.3689 7227.947       675.9183 190.3357 7.763378 183.6272 8.767551 6.708557 
11.71068 
1 1 1 14  6   21 o 51.18729 6.433468  593.3758       130.8925 454.3415       
197.9133 701.4700       174.5080 44.97152 10.63604 57.40306 7.241047 -12.43154 
12.86694 
1 1 1 14  6   22 o 147.7882 5.810957  4668.042       356.5516 4653.145       
470.4049 4688.159       546.6131 147.7121 7.585374 147.8644 8.805167 
-0.1523132     11.62191 
1 1 1 14  6   23 o 84.65813 4.263474  1487.423       143.5789 1419.641       
175.0292 1626.872       251.0501 81.91014 5.089720 87.40611 6.841316 -5.495972 
8.526949 
1 1 1 14  6   24 o 79.46388 5.029782  1373.935       148.2210 1300.118       
282.5160 1401.971       174.1072 77.60337 8.671285 81.32439 5.099376 -3.721024 
10.05956 
1 1 1 14  6   25 o 128.5467 4.634744  3478.592       236.9061 3725.807       
412.4109 3356.838       289.4233 131.5194 7.468984 125.5740 5.489779 5.945404 
9.269487 
1 1 1 14  6   26 o 35.30268 7.435310  227.4159       111.3287 444.3058       
214.6581 147.6109       130.2095 43.60811 11.54227 26.99724 9.376110 16.61086 
14.87062 
1 1 1 14  6   27 f 64.41029 4.788641  809.2980       118.2381 1125.587       
230.9012 696.8845       137.6555 71.83057 7.656634 56.99001 5.753287 14.84057 
9.577283 
1 1 1 14  6   28 o 40.09236 6.865586  423.4067       115.2868 197.1639       
218.9960 510.1434       135.5970 31.76238 12.00235 48.42234 6.669991 -16.65996 
13.73117 
1 1 1 14  6   29 o 70.87036 5.298179  1085.673       147.6407 1200.247       
263.7882 1033.410       178.1595 72.90038 8.618796 68.84034 6.164346 4.060043 
10.59636 
1 1 1 14  6   30 o 41.28163 7.277375  439.4317       120.0434 331.1298       
237.6251 476.5417       139.0978 36.38607 12.66342 46.17720 7.174863 -9.791126 
14.55475 
1 1 1 14  6   31 o 55.30880 6.846967  878.1935       129.1754 465.9997       
239.7830 1046.732       153.3264 41.45799 12.63482 69.15961 5.280626 -27.70163 
13.69393 
1 1 1 14  6   32 o 40.54189 8.215207  460.9840       130.7152 337.3940       
359.3503 479.8308       140.3284 35.44376 14.70797 45.64001 7.323536 -10.19626 
16.43041 
1 1 1 14  6   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  6   34 o 62.83126 6.677993  1036.042       145.7780 943.6796       
277.7583 1071.156       171.2613 57.21146 11.95275 68.45106 5.959366 -11.23960 
13.35599 
1 1 1 14  6   35 o 37.84169 6.312726  445.1634       132.3322 3.701735       
219.6811 696.5878       165.7868 22.28711 10.23281 53.39627 7.395372 -31.10916 
12.62545 
1 1 1 14  6   36 o 25.82874 7.156575  202.8446       119.6664 81.97639       
220.0764 253.5822       142.5877 22.86994 10.40790 28.78753 9.825574 -5.917593 
14.31315 
1 1 1 14  7   0  o 157.1160 7.218410  5204.039       476.1468 5204.039       
476.1468 0.000000       0.000000 157.1160 7.218410 ?        ?        ? ? 
1 1 1 14  7   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  7   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  7   3  o 36.13173 10.00841  284.4424       156.9295 0.000000       
0.000000 284.4424       156.9295 ?        ?        36.13173 10.00841 ? ? 
1 1 1 14  7   4  o 166.4979 5.303225  5866.038       368.9582 6131.553       
505.3342 5562.893       539.9562 170.5887 7.055854 162.4072 7.919073 8.181458 
10.60645 
1 1 1 14  7   5  o 103.8862 4.068142  2282.550       175.1405 2195.920       
267.3892 2347.643       231.7817 102.1286 6.236164 105.6439 5.225837 -3.515297 
8.136284 
1 1 1 14  7   6  o 83.16936 4.808655  1459.335       167.6055 1366.317       
237.9461 1550.933       236.1243 80.52462 7.038353 85.81410 6.553949 -5.289482 
9.617311 
1 1 1 14  7   7  o 198.8587 6.855606  8286.387       550.6734 8639.670       
921.7352 8090.306       686.6936 201.9368 10.87206 195.7806 8.354383 6.156174 
13.71121 
1 1 1 14  7   8  o 112.1968 4.034197  2569.417       179.8002 2415.980       
218.2032 2893.947       317.3404 107.1781 4.849267 117.2156 6.448535 -10.03749 
8.068395 
1 1 1 14  7   9  o 160.6623 5.988646  5411.209       402.2081 5894.453       
604.0275 5026.258       539.1087 167.0420 8.612954 154.2826 8.323013 12.75941 
11.97729 
1 1 1 14  7   10 o 157.6933 6.235002  5175.084       397.8824 5559.404       
667.4009 4963.176       495.5811 162.0334 9.810778 153.3532 7.697378 8.680130 
12.47000 
1 1 1 14  7   11 o 108.7665 5.119172  2502.857       232.8426 2406.987       
340.8406 2586.750       318.8379 106.7797 7.602976 110.7534 6.856998 -3.973663 
10.23834 
1 1 1 14  7   12 o 68.97307 5.531063  973.9713       157.2080 1173.986       
253.8439 849.5266       200.2276 74.52191 8.113417 63.42422 7.519515 11.09769 
11.06213 
1 1 1 14  7   13 o 166.1527 5.778447  5833.455       395.6910 5801.792       
512.2971 5880.277       622.9847 165.7171 7.363352 166.5883 8.907461 
-0.8711853     11.55689 
1 1 1 14  7   14 o 118.4599 4.846318  2896.999       229.7529 3184.028       
397.1374 2752.607       281.6752 122.6718 7.711115 114.2481 5.872469 8.423698 
9.692636 
1 1 1 14  7   15 o 121.1648 4.552696  3074.617       229.0813 3275.834       
355.2945 2931.448       299.6951 124.4850 6.798177 117.8445 6.057470 6.640488 
9.105392 
1 1 1 14  7   16 o 182.9533 6.285278  7095.604       442.8335 7194.440       
808.5991 7053.259       529.2593 183.3645 10.50362 182.5421 6.906001 0.8224945 
12.57056 
1 1 1 14  7   17 o 93.90617 4.947921  1865.503       194.7854 1730.901       
269.3043 2013.174       282.0756 90.34773 7.099816 97.46460 6.893498 -7.116867 
9.895843 
1 1 1 14  7   18 o 67.06235 5.355557  982.6941       145.7354 833.3871       
226.7376 1087.798       190.2360 62.46972 8.645201 71.65498 6.323644 -9.185257 
10.71111 
1 1 1 14  7   19 o 66.03499 5.708534  927.6035       157.3404 1075.119       
229.4896 796.7560       216.1361 71.02213 7.696449 61.04785 8.432920 9.974274 
11.41707 
1 1 1 14  7   20 o 90.04129 4.927893  1725.774       185.9460 1745.397       
256.2225 1703.940       270.2745 90.62167 6.734515 89.46092 7.196027 1.160744 
9.855785 
1 1 1 14  7   21 o 88.95319 4.005452  1670.379       149.0350 1731.538       
222.0253 1620.222       201.0648 90.40535 5.849642 87.50103 5.473232 2.904320 
8.010904 
1 1 1 14  7   22 o 47.40784 7.101315  477.9240       134.2018 391.6077       
169.0244 625.1493       220.7467 41.83862 9.786945 52.97706 10.29225 -11.13844 
14.20263 
1 1 1 14  7   23 o 97.03020 4.431944  2001.511       178.6513 1640.776       
247.7200 2392.469       257.8888 87.82616 6.718282 106.2342 5.782146 -18.40808 
8.863889 
1 1 1 14  7   24 o 37.57527 7.420047  328.2772       117.9498 247.1010       
217.7961 361.9656       140.3060 34.88022 12.12506 40.27032 8.556362 -5.390102 
14.84009 
1 1 1 14  7   25 o 29.78822 7.443195  179.4206       115.4600 70.86310       
215.1908 223.3065       136.8220 27.81564 11.44668 31.76080 9.517255 -3.945162 
14.88639 
1 1 1 14  7   26 o 66.50577 5.835855  1101.403       131.9103 705.2007       
238.4787 1276.061       158.3379 55.53329 10.60821 77.47823 4.867728 -21.94494 
11.67171 
1 1 1 14  7   27 o 45.68958 6.746023  461.4271       115.5905 496.0003       
220.5626 448.3360       135.7215 45.88267 11.46943 45.49650 7.105454 0.3861732 
13.49205 
1 1 1 14  7   28 o 65.12845 5.335624  976.3702       129.0007 818.1371       
235.7015 1044.037       154.1350 60.46807 9.284474 69.78883 5.260614 -9.320755 
10.67125 
1 1 1 14  7   29 o 51.06778 7.032437  576.1749       130.5887 680.9612       
260.4632 540.9898       150.9291 52.59603 12.04825 49.53953 7.256750 3.056496 
14.06487 
1 1 1 14  7   30 o 21.67052 6.834748  -19.61582      109.7274 12.36028       
220.7004 -30.11515      126.4653 25.07227 10.98655 18.26876 8.133311 6.803507 
13.66950 
1 1 1 14  7   31 o 35.12526 7.519869  313.8315       114.1116 263.2919       
229.5596 330.4183       131.5105 33.13070 12.33813 37.11982 8.600242 -3.989117 
15.03974 
1 1 1 14  7   32 o 57.58144 6.369674  811.2018       127.6814 765.3040       
249.4335 827.4985       148.6302 54.11284 11.34303 61.05003 5.798857 -6.937183 
12.73935 
1 1 1 14  7   33 o 32.76006 7.097112  302.0834       108.4913 149.9139       
231.9501 344.6974       122.7459 27.92439 11.71543 37.59573 8.014028 -9.671335 
14.19422 
1 1 1 14  7   34 o 23.79431 9.624361  111.0930       149.3204 0.000000       
0.000000 111.0930       149.3204 ?        ?        23.79431 9.624361 ? ? 
1 1 1 14  7   35 o 24.01542 6.314061  51.19820       124.9459 -569.8004      
235.4040 294.7620       147.4263 15.52671 7.830330 32.50413 9.907339 -16.97742 
12.62812 
1 1 1 14  7   36 o 42.06553 5.869857  602.3653       132.6550 -18.99567      
221.8233 948.2977       165.5125 21.19296 9.929029 62.93810 6.263807 -41.74514 
11.73971 
1 1 1 14  7   37 o 20.15657 6.677554  -8.383786      118.0815 137.0638       
246.0553 -51.90343      134.5928 23.94033 10.92447 16.37282 7.682119 7.567513 
13.35511 
1 1 1 14  8   0  o 149.1691 4.891304  4681.695       305.8805 4543.359       
419.2230 4839.182       447.3015 146.8271 6.800798 151.5111 7.031969 -4.684021 
9.782609 
1 1 1 14  8   1  o 44.98052 5.832536  437.3209       107.0167 363.3783       
150.8271 512.2872       151.8674 40.66937 9.067477 49.29166 7.338580 -8.622292 
11.66507 
1 1 1 14  8   2  o 250.6256 9.958651  13289.51       1047.864 13289.51       
1047.864 0.000000       0.000000 250.6256 9.958651 ?        ?        ? ? 
1 1 1 14  8   3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  8   4  o 143.7736 7.800039  4359.573       470.8199 0.000000       
0.000000 4359.573       470.8199 ?        ?        143.7736 7.800039 ? ? 
1 1 1 14  8   5  o 83.16322 4.807943  1455.544       167.5887 1432.951       
229.6892 1481.264       245.0703 82.48098 6.632966 83.84546 6.961971 -1.364479 
9.615887 
1 1 1 14  8   6  f 163.5564 6.697363  5595.334       450.6928 5370.505       
577.0997 5946.844       721.5947 159.4870 8.618797 167.6257 10.25354 -8.138733 
13.39473 
1 1 1 14  8   7  o 148.9019 4.969237  4723.532       298.0851 4862.804       
375.4154 4485.926       490.3527 151.9918 5.883191 145.8119 8.010077 6.179916 
9.938474 
1 1 1 14  8   8  o 57.11389 6.188459  710.5232       139.7640 488.7610       
194.2747 948.4257       201.2204 47.15224 10.10598 67.07553 7.145440 -19.92329 
12.37692 
1 1 1 14  8   9  o 92.99990 5.032274  1790.511       193.4609 2007.737       
307.4998 1648.199       248.8912 97.56125 7.507384 88.43855 6.703306 9.122696 
10.06455 
1 1 1 14  8   10 o 179.4693 5.434450  6777.197       407.3063 6989.224       
612.1260 6608.735       545.6282 181.9389 8.013761 176.9997 7.342522 4.939133 
10.86890 
1 1 1 14  8   11 o 77.50246 5.219045  1266.849       168.2189 1273.135       
256.3380 1262.094       222.9382 77.64351 7.863737 77.36142 6.864062 0.2820892 
10.43809 
1 1 1 14  8   12 o 100.3810 4.915031  2085.290       202.4010 2312.938       
329.4027 1947.210       256.5426 104.6559 7.496947 96.10603 6.358138 8.549889 
9.830062 
1 1 1 14  8   13 o 65.38986 5.667361  904.3282       155.5827 911.6059       
220.1519 897.0669       219.9026 65.65438 7.986928 65.12534 8.042692 0.5290375 
11.33472 
1 1 1 14  8   14 o 87.33479 4.709912  1612.461       171.1579 1595.148       
259.1869 1625.848       227.9234 86.88358 7.105528 87.78599 6.184219 
-0.9024048     9.419825 
1 1 1 14  8   15 o 155.4971 4.737531  5119.580       308.5383 4931.815       
446.9147 5290.567       426.4803 152.7251 6.970039 158.2690 6.418361 -5.543915 
9.475062 
1 1 1 14  8   16 o 91.62491 3.800833  1768.272       146.0770 1707.529       
201.4322 1835.653       212.1526 89.97132 5.332684 93.27850 5.417362 -3.307182 
7.601666 
1 1 1 14  8   17 o 208.1082 7.084592  9329.077       599.7521 9520.690       
764.3525 9022.109       967.4448 211.4321 8.610807 204.7842 11.25255 6.647873 
14.16918 
1 1 1 14  8   18 o 31.17304 7.300018  198.6481       110.8648 214.1713       
165.5372 186.0223       149.2913 32.16190 10.58680 30.18419 10.05389 1.977713 
14.60004 
1 1 1 14  8   19 o 73.17372 5.292777  1136.592       161.8200 1173.342       
242.5219 1107.101       217.2536 74.19469 7.785729 72.15276 7.171915 2.041931 
10.58555 
1 1 1 14  8   20 o 132.0904 4.442662  3681.301       245.4922 3945.902       
366.6210 3466.227       330.5334 136.3414 6.404877 127.8394 6.158453 8.501938 
8.885324 
1 1 1 14  8   21 o 31.21447 7.420869  151.4967       108.0964 85.20638       
126.7557 328.2564       206.9828 23.79735 9.090482 38.63160 11.73202 -14.83425 
14.84174 
1 1 1 14  8   22 o 167.0943 6.180910  5954.479       411.7122 5893.827       
507.2558 6071.574       704.8065 166.3778 7.261942 167.8108 10.00394 -1.433029 
12.36182 
1 1 1 14  8   23 o 168.9793 5.890751  5967.304       372.2608 6440.423       
723.8453 5797.172       434.0621 172.7035 9.983107 165.2551 6.256308 7.448425 
11.78150 
1 1 1 14  8   24 o 38.24673 6.615175  294.1308       97.02306 421.9423       
186.7371 246.8692       113.5533 43.22191 10.40127 33.27156 8.176538 9.950352 
13.23035 
1 1 1 14  8   25 o 110.3406 3.813726  2578.569       169.4081 2614.767       
283.7656 2558.523       211.1685 110.7564 6.102562 109.9248 4.575669 0.8316040 
7.627451 
1 1 1 14  8   26 o 32.19497 7.558634  196.7109       106.6743 294.8498       
214.5896 164.4990       122.9408 36.56628 12.05372 27.82367 9.123570 8.742611 
15.11727 
1 1 1 14  8   27 o 72.21510 4.618139  1066.323       128.0240 1265.183       
243.1276 990.0282       150.5933 76.32176 7.587644 68.10843 5.266546 8.213333 
9.236279 
1 1 1 14  8   28 o 54.60459 6.326310  728.8019       121.4599 548.5242       
225.3558 802.6113       144.1960 48.06963 11.33716 61.13955 5.617615 -13.06993 
12.65262 
1 1 1 14  8   29 o 75.83546 4.814347  1172.336       139.5275 1470.538       
269.5144 1063.152       163.0827 81.46140 7.880453 70.20953 5.532648 11.25188 
9.628694 
1 1 1 14  8   30 o 31.18888 7.177656  231.9202       100.1485 150.9396       
221.5773 252.7106       112.2706 29.49949 11.80969 32.87827 8.161262 -3.378788 
14.35531 
1 1 1 14  8   31 o 50.15198 7.043416  476.5760       118.8718 905.3852       
280.8069 382.9559       131.2081 59.87365 11.58450 40.43032 8.014869 19.44333 
14.08683 
1 1 1 14  8   32 o 24.33309 7.229336  73.22224       110.2284 106.7616       
224.8909 62.61702       126.4605 27.16716 11.47311 21.49902 8.798920 5.668135 
14.45867 
1 1 1 14  8   33 o 63.31351 6.094464  1010.220       123.3146 872.1878       
260.3182 1050.155       140.0217 57.43336 11.19541 69.19367 4.820032 -11.76031 
12.18893 
1 1 1 14  8   34 o 34.28409 7.641063  296.3921       106.3221 377.7290       
240.8626 276.7077       118.4912 35.46970 12.70876 33.09848 8.487092 2.371223 
15.28213 
1 1 1 14  8   35 o 22.73001 6.822119  70.90981       121.3556 -224.6960      
255.9670 156.6210       137.8308 20.16179 9.761804 25.29822 9.532701 -5.136425 
13.64424 
1 1 1 14  8   36 o 21.11318 9.878010  -32.83427      217.1395 -32.83427      
217.1395 0.000000       0.000000 21.11318 9.878010 ?        ?        ? ? 
1 1 1 14  8   37 o 26.04815 7.011505  219.7430       115.6501 40.94240       
246.3841 270.2700       130.9754 22.21785 10.41906 29.87844 9.385516 -7.660587 
14.02301 
1 1 1 14  9   0  o 131.0194 4.776167  3598.443       260.7519 3465.095       
345.4664 3774.987       397.5025 128.2404 6.416553 133.7984 7.076364 -5.557907 
9.552334 
1 1 1 14  9   1  o 236.5522 6.191387  11821.05       614.7473 11968.68       
880.6497 11680.74       858.5397 237.9819 8.814145 235.1226 8.697353 2.859375 
12.38277 
1 1 1 14  9   2  o 46.64381 6.491417  475.5520       122.5707 477.0547       
175.1193 474.1088       171.6161 46.70667 9.259720 46.58096 9.100086 0.1257057 
12.98283 
1 1 1 14  9   3  o 119.3728 6.154801  3000.533       308.4597 3000.533       
308.4597 0.000000       0.000000 119.3728 6.154801 ?        ?        ? ? 
1 1 1 14  9   4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  9   5  o 73.98863 7.706373  1154.615       239.3834 0.000000       
0.000000 1154.615       239.3834 ?        ?        73.98863 7.706373 ? ? 
1 1 1 14  9   6  o 235.3472 7.864189  11682.30       769.0710 11336.69       
1010.991 12156.99       1184.842 231.3818 10.40733 239.3126 11.79277 -7.930801 
15.72838 
1 1 1 14  9   7  o 35.00470 7.464811  261.1909       118.9377 284.5498       
169.3809 238.4705       167.0499 36.28226 10.51297 33.72714 10.60053 2.555115 
14.92962 
1 1 1 14  9   8  f 83.53092 5.249902  1484.333       177.3520 1422.238       
289.8234 1521.504       224.2377 82.06740 8.411700 84.99445 6.284043 -2.927048 
10.49980 
1 1 1 14  9   9  o 91.63861 4.848943  1764.139       179.1158 1791.373       
299.4549 1748.967       223.5059 92.13570 7.741490 91.14153 5.841088 0.9941788 
9.697886 
1 1 1 14  9   10 o 101.1435 4.661928  2169.000       187.4274 2115.496       
319.6777 2197.025       231.3653 100.1203 7.605207 102.1666 5.393990 -2.046303 
9.323856 
1 1 1 14  9   11 o 91.53255 4.977148  1738.522       188.5714 1935.113       
298.0063 1607.240       243.5270 95.75345 7.412968 87.31165 6.643487 8.441803 
9.954296 
1 1 1 14  9   12 o 299.9944 9.974834  19401.18       1248.658 20724.80       
1716.023 17911.77       1820.328 311.3487 13.12796 288.6402 15.02152 22.70850 
19.94967 
1 1 1 14  9   13 o 53.91685 6.944591  641.7507       150.6078 545.3418       
227.8654 716.5393       200.6956 49.63928 11.19966 58.19442 8.214435 -8.555138 
13.88918 
1 1 1 14  9   14 o 199.8495 7.578223  8433.750       621.9644 8875.807       
999.0856 8154.026       794.7482 203.8089 11.67618 195.8902 9.663578 7.918701 
15.15645 
1 1 1 14  9   15 o 119.7867 4.839652  3034.800       238.8351 3023.461       
375.3772 3042.513       309.5804 119.5182 7.480917 120.0552 6.142052 
-0.5370026     9.679304 
1 1 1 14  9   16 o 73.68106 4.983718  1147.890       153.7578 1167.117       
226.6277 1131.491       209.2974 74.23222 7.271796 73.12991 6.816947 1.102310 
9.967436 
1 1 1 14  9   17 f 180.5354 6.820742  6961.646       516.7275 7066.322       
744.5115 6864.359       717.7493 181.8082 9.753915 179.2625 9.536836 2.545685 
13.64148 
1 1 1 14  9   18 o 66.25744 5.688173  918.8346       156.5131 1043.891       
244.2975 831.7682       203.8409 69.98418 8.314576 62.53069 7.764603 7.453491 
11.37635 
1 1 1 14  9   19 o 158.0357 4.753453  5034.383       287.6111 4684.484       
337.6046 5960.380       549.2149 148.8422 5.402608 167.2292 7.822600 -18.38708 
9.506906 
1 1 1 14  9   20 o 45.18468 6.614334  424.8523       123.1790 284.9770       
158.7639 636.3894       195.2426 35.84507 10.11194 54.52429 8.529149 -18.67922 
13.22867 
1 1 1 14  9   21 o 113.8515 4.319450  2699.600       186.9241 2635.149       
220.3405 2865.072       353.0542 111.7052 4.698315 115.9977 7.249581 -4.292564 
8.638900 
1 1 1 14  9   22 o 81.53531 5.172516  1451.679       170.5230 1262.125       
270.1216 1577.268       219.8727 76.81663 8.375778 86.25399 6.071742 -9.437363 
10.34503 
1 1 1 14  9   23 o 43.51830 6.880104  397.6202       113.5239 490.6688       
213.5263 360.9546       134.0374 46.64846 11.05718 40.38813 8.190362 6.260338 
13.76021 
1 1 1 14  9   24 o 72.56745 4.798568  1095.369       131.9650 1183.668       
251.3876 1061.781       155.0459 74.32258 8.056459 70.81232 5.215217 3.510254 
9.597136 
1 1 1 14  9   25 o 34.23028 6.853123  211.8966       99.29706 415.9138       
185.5751 130.0521       117.5387 42.77850 10.41564 25.68207 8.909307 17.09643 
13.70625 
1 1 1 14  9   26 o 95.94821 4.156810  1952.001       154.5243 1999.200       
279.7576 1931.279       185.3673 96.47515 6.906970 95.42126 4.627100 1.053886 
8.313621 
1 1 1 14  9   27 o 111.5924 4.299798  2670.617       190.7482 2667.747       
326.6751 2672.102       234.9636 111.1670 6.999404 112.0178 4.996139 
-0.8508072     8.599596 
1 1 1 14  9   28 o 47.80439 6.635897  533.8270       116.7422 479.2114       
219.8338 555.2789       137.7747 44.90578 11.58664 50.70300 6.472273 -5.797211 
13.27179 
1 1 1 14  9   29 f 31.53958 7.295413  236.2046       114.0486 73.27274       
225.7906 292.0126       132.1450 27.62266 11.57246 35.45650 8.886533 -7.833843 
14.59083 
1 1 1 14  9   30 o 43.71715 7.205457  416.0617       114.4192 556.0533       
237.8538 373.9130       130.5121 47.15660 11.98486 40.27769 8.002344 6.878914 
14.41091 
1 1 1 14  9   31 o 38.39151 6.913089  362.8171       107.4456 340.1847       
189.5867 373.5260       130.4110 36.81656 11.23764 39.96646 8.054727 -3.149910 
13.82618 
1 1 1 14  9   32 o 32.48436 7.657839  190.1590       109.2621 455.4979       
230.7349 113.4607       124.0525 41.07872 12.36927 23.88999 9.031671 17.18873 
15.31568 
1 1 1 14  9   33 o 38.73868 7.155850  378.5493       101.7480 376.0930       
240.1353 379.0868       112.3297 36.56879 12.72983 40.90856 6.540359 -4.339771 
14.31170 
1 1 1 14  9   34 o 49.99141 6.978462  689.9518       112.8539 554.2128       
251.9206 724.0311       126.2282 42.95058 12.92301 57.03224 5.271776 -14.08165 
13.95692 
1 1 1 14  9   35 o 25.35656 7.107616  146.9530       102.3955 83.24109       
235.5942 161.7911       113.6956 25.26314 11.18841 25.44997 8.768819 
-0.1868305     14.21523 
1 1 1 14  9   36 o 30.12719 8.175635  190.8407       120.5928 516.5031       
274.1677 112.7217       134.2798 37.51339 13.54721 22.74100 9.156257 14.77239 
16.35127 
1 1 1 14  9   37 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  10  0  o 87.43996 2.563560  1606.981       94.09950 1603.326       
132.0600 1610.751       134.1174 87.33970 3.601478 87.54021 3.649209 
-0.2005157     5.127120 
1 1 1 14  10  1  o 119.1779 2.816652  2989.476       140.6601 3051.723       
194.2166 2920.807       203.9900 120.4904 3.839325 117.8653 4.122340 2.625046 
5.633303 
1 1 1 14  10  2  o 266.8256 8.557274  15103.29       942.7987 14941.24       
1224.319 15339.39       1477.806 265.3715 10.98908 268.2796 13.12051 -2.908081 
17.11455 
1 1 1 14  10  3  o 224.1161 7.438983  10631.90       689.6015 10572.64       
900.1679 10716.07       1072.902 223.5396 9.591579 224.6926 11.37346 -1.153000 
14.87797 
1 1 1 14  10  4  o 178.0710 8.663138  6698.483       647.6604 6698.483       
647.6604 0.000000       0.000000 178.0710 8.663138 ?        ?        ? ? 
1 1 1 14  10  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  10  6  f 214.7543 7.002614  9531.247       572.4755 9230.296       
674.2772 10308.34       1083.497 209.1752 7.678022 220.3335 11.71300 -11.15829 
14.00523 
1 1 1 14  10  7  o 40.20499 7.493126  349.5009       126.6254 389.1626       
198.8454 322.4462       164.2296 42.07861 11.09599 38.33136 10.07307 3.747257 
14.98625 
1 1 1 14  10  8  o 234.4220 8.631849  11684.86       849.4824 11795.94       
1209.600 11576.77       1193.265 235.5147 12.23333 233.3292 12.18117 2.185455 
17.26370 
1 1 1 14  10  9  o 50.43184 6.626360  535.3820       136.3508 643.6782       
211.7157 458.6285       178.2359 55.16628 9.141140 45.69740 9.595528 9.468880 
13.25272 
1 1 1 14  10  10 o 290.5800 9.850406  18066.76       1198.202 18253.40       
1638.498 17852.22       1756.697 292.4109 13.34669 288.7492 14.49096 3.661621 
19.70081 
1 1 1 14  10  11 o 51.41124 6.545292  558.5840       137.1081 697.0468       
209.0603 454.0812       181.6223 57.40585 8.674342 45.41663 9.804040 11.98922 
13.09058 
1 1 1 14  10  12 o 28.97561 7.104836  92.06014       130.6886 -182.2730      
196.3830 310.1237       175.0880 20.26274 9.446607 37.68848 10.61491 -17.42574 
14.20967 
1 1 1 14  10  13 o 56.15186 6.646112  706.5159       147.1301 547.6500       
224.1941 826.6950       194.9950 49.75464 11.02478 62.54906 7.425465 -12.79442 
13.29222 
1 1 1 14  10  14 o 150.6001 5.497373  4811.784       343.3763 4883.477       
453.7413 4715.698       525.2931 152.0146 7.109581 149.1856 8.386792 2.829041 
10.99475 
1 1 1 14  10  15 o 220.3602 7.566977  10393.91       696.5781 10667.55       
947.0275 10071.36       1028.191 223.7364 10.08201 216.9839 11.28670 6.752426 
15.13395 
1 1 1 14  10  16 o 168.2527 6.537807  6028.183       461.7892 6118.505       
657.1910 5940.091       649.0225 169.5003 9.235112 167.0052 9.256588 2.495148 
13.07561 
1 1 1 14  10  17 o 230.8740 7.845153  11410.83       683.7015 11554.98       
1288.811 11354.37       806.5457 230.7115 13.30579 231.0365 8.315138 
-0.3249512     15.69031 
1 1 1 14  10  18 f 262.1725 9.375548  15049.76       1026.630 15844.31       
1409.097 14150.83       1498.800 270.1764 12.42266 254.1687 14.04568 16.00768 
18.75110 
1 1 1 14  10  19 o 66.25343 4.823138  931.2193       132.0407 927.1518       
172.0077 937.0551       206.0313 66.14386 6.194117 66.36299 7.394834 
-0.2191315     9.646276 
1 1 1 14  10  20 o 53.29842 6.192858  636.7742       126.8145 679.1284       
158.1501 560.4954       212.2381 56.54094 6.662354 50.05590 10.44122 6.485039 
12.38572 
1 1 1 14  10  21 o 79.75838 4.607236  1351.968       154.1494 1394.206       
216.1632 1308.263       219.8846 81.04958 6.352610 78.46717 6.674642 2.582405 
9.214472 
1 1 1 14  10  22 o 37.83458 6.465172  368.2116       112.0924 54.37638       
204.5167 502.9665       134.0140 27.00125 11.14339 48.66790 6.558863 -21.66666 
12.93034 
1 1 1 14  10  23 o 64.22752 5.779372  1003.960       123.7940 688.1792       
236.9531 1122.507       145.1830 55.55809 10.54044 72.89695 4.743811 -17.33886 
11.55874 
1 1 1 14  10  24 o 89.50281 4.257267  1661.018       148.1864 1805.927       
270.3774 1598.801       177.1651 92.05274 6.996079 86.95288 4.853057 5.099861 
8.514534 
1 1 1 14  10  25 o 34.31350 7.697057  231.0848       115.8121 337.6317       
215.4021 187.7612       137.3541 38.89399 12.00009 29.73301 9.642440 9.160982 
15.39411 
1 1 1 14  10  26 o 81.34883 4.765281  1396.102       149.2471 1476.694       
275.1939 1362.521       177.6407 82.65755 7.930076 80.04012 5.286350 2.617432 
9.530561 
1 1 1 14  10  27 o 80.61784 4.576093  1502.183       135.7758 1158.505       
245.9794 1652.779       162.8286 72.98030 8.028124 88.25537 4.394510 -15.27507 
9.152185 
1 1 1 14  10  28 o 49.00072 6.050747  512.3248       107.7210 592.7779       
212.0840 484.3535       125.0524 50.58652 10.34324 47.41492 6.282004 3.171600 
12.10149 
1 1 1 14  10  29 o 50.62357 6.863669  637.8889       119.0132 493.8904       
242.9349 683.3621       136.5174 44.94926 12.45308 56.29788 5.775867 -11.34862 
13.72734 
1 1 1 14  10  30 o 77.12440 5.040846  1394.962       141.9701 1126.139       
262.4167 1506.204       168.8078 70.50826 8.864876 83.74054 4.801510 -13.23228 
10.08169 
1 1 1 14  10  31 o 52.71196 6.071848  592.2181       111.3818 749.7317       
236.7487 547.4446       126.2232 55.46207 10.54790 49.96185 6.017579 5.500217 
12.14370 
1 1 1 14  10  32 o 62.94054 4.501300  785.7911       98.55061 1068.165       
222.8598 717.1508       109.8777 68.31488 7.770296 57.56619 4.546351 10.74869 
9.002601 
1 1 1 14  10  33 o 33.47773 7.421363  291.2935       105.3971 235.0378       
245.7476 303.9737       116.6723 31.46111 12.49074 35.49434 8.017982 -4.033230 
14.84273 
1 1 1 14  10  34 o 18.95009 6.016333  -10.56526      95.40778 -149.6709      
192.2812 34.86913       109.8896 18.88589 8.966172 19.01428 8.024513 
-0.1283913     12.03267 
1 1 1 14  10  35 o 43.78070 7.150035  513.3997       110.3535 507.1820       
245.5988 514.9725       123.5251 40.22205 12.87880 47.33936 6.215185 -7.117317 
14.30007 
1 1 1 14  10  36 o 25.18801 6.910398  158.4746       113.5590 -80.56348      
244.7605 224.0441       128.1913 21.64913 10.20989 28.72688 9.315182 -7.077751 
13.82080 
1 1 1 14  10  37 o 21.47063 6.596575  78.60381       113.0915 -39.33746      
208.1953 127.9706       134.6963 20.17835 9.486985 22.76290 9.168223 -2.584547 
13.19315 
1 1 1 14  11  0  o 79.72643 2.603600  1336.189       87.14074 1313.089       
122.8553 1359.576       123.6195 79.03237 3.702627 80.42049 3.661350 -1.388115 
5.207200 
1 1 1 14  11  1  o 62.40481 3.158458  819.4923       82.70746 791.4288       
117.2257 847.3084       116.7080 61.33812 4.552118 63.47150 4.379687 -2.133381 
6.316916 
1 1 1 14  11  2  o 173.8023 2.927552  6356.226       213.2028 6433.833       
293.5233 6269.553       310.1955 174.9359 3.996545 172.6688 4.279004 2.267105 
5.855104 
1 1 1 14  11  3  o 98.85471 4.118878  2020.891       168.8279 1837.371       
218.8286 2290.757       265.3607 93.42242 5.579227 104.2870 6.060764 -10.86459 
8.237757 
1 1 1 14  11  4  o 150.5556 5.191084  4787.929       325.8913 4722.518       
488.4344 4840.415       437.5179 149.5829 7.777593 151.5282 6.877387 -1.945236 
10.38217 
1 1 1 14  11  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  11  6  o 141.2769 6.214427  4204.186       368.5964 0.000000       
0.000000 4204.186       368.5964 ?        ?        141.2769 6.214427 ? ? 
1 1 1 14  11  7  o 58.23518 5.525476  695.1953       133.0757 879.9863       
208.6811 568.5444       172.7615 64.57435 7.697402 51.89600 7.929285 12.67834 
11.05095 
1 1 1 14  11  8  o 86.50676 4.676174  1537.345       167.1995 1808.889       
266.6711 1361.451       214.6254 92.62900 6.857253 80.38453 6.359600 12.24447 
9.352348 
1 1 1 14  11  9  f 173.9836 6.360969  6390.748       462.8598 6539.927       
688.5862 6267.784       625.1652 175.7820 9.330503 172.1852 8.648086 3.596725 
12.72194 
1 1 1 14  11  10 o 196.0489 6.493694  8114.459       533.0997 8418.714       
788.0511 7857.749       723.8655 199.3870 9.414097 192.7109 8.946901 6.676056 
12.98739 
1 1 1 14  11  11 o 165.5969 5.863503  5745.902       403.3725 6147.284       
625.1041 5459.519       528.0167 170.4420 8.735680 160.7517 7.823717 9.690323 
11.72701 
1 1 1 14  11  12 o 86.55859 4.223856  1443.083       144.9641 2018.435       
263.6974 1193.900       173.5394 97.83014 6.420285 75.28703 5.490336 22.54311 
8.447713 
1 1 1 14  11  13 o 178.1321 6.361858  6719.465       475.0088 7273.702       
683.6682 6202.219       660.4604 185.2652 8.789674 170.9991 9.199705 14.26601 
12.72372 
1 1 1 14  11  14 o 90.69661 4.729053  1708.877       177.5305 1902.616       
280.5910 1579.550       229.2506 94.88306 7.043786 86.51015 6.311962 8.372902 
9.458107 
1 1 1 14  11  15 o 118.5098 4.825716  2964.086       239.4273 2905.430       
325.2336 3033.485       353.7657 117.2582 6.606527 119.7614 7.035904 -2.503174 
9.651432 
1 1 1 14  11  16 o 65.18343 5.443416  911.4055       147.1637 805.8040       
216.9844 1001.357       200.2617 61.58438 8.392262 68.78247 6.934915 -7.198093 
10.88683 
1 1 1 14  11  17 o 130.7782 5.590428  3591.255       303.6164 3916.619       
472.4019 3362.267       396.3084 135.6865 8.292701 125.8698 7.499509 9.816742 
11.18086 
1 1 1 14  11  18 o 189.9222 4.542413  7643.149       351.5800 7649.924       
446.7372 7632.125       569.8594 190.2410 5.593314 189.6035 7.158835 0.6374512 
9.084826 
1 1 1 14  11  19 o 124.5542 4.395618  3158.520       219.7052 2878.623       
268.5246 3725.362       382.1344 116.6675 5.482204 132.4410 6.872501 -15.77348 
8.791237 
1 1 1 14  11  20 o 39.35347 6.811049  344.7505       111.9336 297.7086       
154.7536 396.3633       162.0978 36.55762 9.857111 42.14932 9.402071 -5.591702 
13.62210 
1 1 1 14  11  21 o 98.40696 4.042121  2040.341       155.4182 2080.450       
277.0505 2021.924       187.7409 98.95113 6.668978 97.86279 4.569433 1.088333 
8.084243 
1 1 1 14  11  22 o 99.18303 3.662252  2082.195       144.0905 2072.939       
248.0036 2086.912       177.0365 98.89906 5.972922 99.46700 4.239406 
-0.5679321     7.324504 
1 1 1 14  11  23 o 75.34578 3.924320  1180.953       118.6284 1272.330       
203.0657 1133.613       146.1627 77.43446 6.246307 73.25710 4.752346 4.177361 
7.848639 
1 1 1 14  11  24 o 76.12427 4.107560  1259.077       124.6254 1126.870       
206.0454 1335.345       156.4969 72.75966 6.745176 79.48888 4.689435 -6.729225 
8.215120 
1 1 1 14  11  25 f 125.1494 4.439108  3226.590       216.6806 3633.942       
396.0869 3052.619       258.8474 130.3001 7.240470 119.9987 5.137930 10.30137 
8.878217 
1 1 1 14  11  26 o 120.1283 4.737083  2920.938       215.0505 3491.990       
420.3011 2718.422       250.2947 127.1787 7.871676 113.0778 5.272243 14.10090 
9.474166 
1 1 1 14  11  27 o 30.85502 7.440838  201.3624       110.6863 165.1404       
204.6491 216.3396       131.5950 30.58742 11.58955 31.12263 9.335240 
-0.5352116     14.88168 
1 1 1 14  11  28 o 41.93992 6.236791  342.0265       95.76614 551.0736       
194.4317 275.0676       110.0396 48.99443 9.798655 34.88541 7.718587 14.10902 
12.47358 
1 1 1 14  11  29 o 39.01952 7.441248  362.4621       116.5198 328.9218       
225.7879 374.6367       136.0334 37.52338 12.36423 40.51567 8.283381 -2.992294 
14.88250 
1 1 1 14  11  30 o 37.68850 7.233535  347.5682       106.8085 291.5886       
227.3105 363.4298       120.9978 35.40219 12.37934 39.97480 7.486518 -4.572605 
14.46707 
1 1 1 14  11  31 o 25.83269 7.366642  101.9031       107.8665 112.8793       
227.3443 98.71434       122.5373 28.26863 11.71262 23.39676 8.937799 4.871872 
14.73328 
1 1 1 14  11  32 o 32.92342 7.176050  285.7924       107.4269 135.7097       
236.0933 324.9791       120.6391 28.77287 11.92958 37.07397 7.979216 -8.301098 
14.35210 
1 1 1 14  11  33 o 32.73920 7.157967  287.8795       105.2573 159.9297       
234.9612 320.0038       117.7315 28.92650 11.94143 36.55190 7.896085 -7.625399 
14.31593 
1 1 1 14  11  34 o 35.84150 7.513887  246.7122       103.1322 582.1154       
236.7574 168.1651       114.5737 45.34965 12.17619 26.33336 8.807635 19.01629 
15.02777 
1 1 1 14  11  35 o 30.55562 7.820999  200.2074       108.8040 403.1370       
242.6497 149.1377       121.7275 36.14635 12.77530 24.96489 9.025733 11.18146 
15.64200 
1 1 1 14  11  36 o 53.45959 6.947354  738.6706       121.0126 803.1857       
269.0172 722.3044       135.4952 50.78789 12.64929 56.13129 5.749632 -5.343399 
13.89471 
1 1 1 14  11  37 f 27.71627 7.739248  211.7357       118.2024 312.0471       
245.1108 181.3387       134.9283 29.88217 12.24325 25.55037 9.470309 4.331800 
15.47850 
1 1 1 14  11  38 o 20.36248 6.574748  -4.019967      113.0952 195.6833       
208.4693 -87.30645      134.6284 25.14220 10.84445 15.58276 7.436883 9.559438 
13.14950 
1 1 1 14  12  0  o 77.16074 4.561198  1252.882       147.7591 1252.882       
147.7591 0.000000       0.000000 77.16074 4.561198 ?        ?        ? ? 
1 1 1 14  12  1  o 121.3063 2.795387  3058.835       137.2760 2965.283       
171.4064 3226.172       229.2426 118.7749 3.437345 123.8376 4.409242 -5.062668 
5.590774 
1 1 1 14  12  2  o 87.17833 2.685702  1598.715       98.23126 1660.744       
138.5809 1536.074       139.2616 88.88177 3.713742 85.47489 3.880734 3.406876 
5.371404 
1 1 1 14  12  3  o 61.73665 3.209087  799.4166       82.86393 902.6746       
120.4982 706.7762       114.1351 65.51221 4.381061 57.96108 4.690336 7.551136 
6.418173 
1 1 1 14  12  4  o 53.75694 5.662708  638.9426       118.3414 695.2328       
150.5856 548.0308       191.3714 57.44004 6.244386 50.07384 9.448423 7.366207 
11.32542 
1 1 1 14  12  5  o 216.5441 7.320803  10026.07       627.2334 10196.02       
771.7505 9695.368       1076.565 219.6520 8.368794 213.4362 12.01415 6.215805 
14.64161 
1 1 1 14  12  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  12  7  o 72.22552 4.732231  1102.850       141.7204 1332.985       
204.1512 888.7920       196.8916 79.54443 6.113125 64.90662 7.225355 14.63780 
9.464462 
1 1 1 14  12  8  o 104.0853 4.655413  2283.832       203.4130 2238.882       
286.9460 2329.239       288.3985 103.0526 6.632272 105.1181 6.534865 -2.065483 
9.310826 
1 1 1 14  12  9  o 242.8305 6.914940  12472.83       703.6883 12886.59       
1032.766 12114.28       961.3935 246.5345 9.978046 239.1265 9.576230 7.408005 
13.82988 
1 1 1 14  12  10 o 220.7613 7.532945  10299.69       684.2712 10616.62       
1088.097 10092.36       880.0795 223.3128 11.60580 218.2097 9.606584 5.103134 
15.06589 
1 1 1 14  12  11 o 156.8886 5.526132  5145.097       360.7303 5614.936       
556.6339 4804.901       473.6529 162.9518 8.136384 150.8253 7.480093 12.12651 
11.05226 
1 1 1 14  12  12 o 234.1857 7.724483  11743.38       752.2083 12250.68       
1010.531 11113.02       1126.451 240.1494 10.02281 228.2220 11.75644 11.92732 
15.44897 
1 1 1 14  12  13 o 162.7692 5.343508  5525.464       356.3943 5267.362       
452.2385 5948.458       578.9483 157.9328 6.820503 167.6057 8.227579 -9.672943 
10.68702 
1 1 1 14  12  14 o 257.2450 9.011145  14164.49       966.1944 14591.41       
1465.397 13836.17       1285.097 260.3542 13.40639 254.1359 12.04457 6.218277 
18.02229 
1 1 1 14  12  15 o 154.3928 5.962685  5053.621       376.4997 5087.856       
605.7673 5032.072       480.6007 154.6262 9.331337 154.1593 7.425670 0.4668427 
11.92537 
1 1 1 14  12  16 o 249.6316 7.621655  13339.50       781.8318 13295.55       
1007.282 13406.11       1239.995 249.6312 9.611102 249.6319 11.83154 
-0.6561279E-03 15.24331 
1 1 1 14  12  17 o 91.30824 4.236944  1708.701       158.8392 1522.152       
200.7479 2021.021       259.7496 84.88564 5.632975 97.73084 6.330591 -12.84520 
8.473888 
1 1 1 14  12  18 o 58.05353 4.958173  666.5540       112.8033 589.6508       
134.0139 853.4756       208.9331 52.78267 6.047549 63.32438 7.858821 -10.54171 
9.916347 
1 1 1 14  12  19 o 136.4284 4.622754  3812.591       229.1905 3683.303       
262.6480 4225.289       469.2591 132.0917 4.736088 140.7651 7.940332 -8.673447 
9.245507 
1 1 1 14  12  20 o 77.84464 4.589377  1297.063       133.7929 1262.914       
253.3756 1310.267       157.5482 76.92587 7.845370 78.76340 4.764421 -1.837532 
9.178755 
1 1 1 14  12  21 o 90.09100 4.122204  1751.290       147.3256 1618.760       
248.3979 1823.210       182.9845 87.26653 6.779868 92.91547 4.690804 -5.648941 
8.244408 
1 1 1 14  12  22 o 75.56250 4.694376  1243.470       136.3332 1133.881       
242.8584 1293.896       164.7401 72.87950 7.937226 78.24549 5.014886 -5.365990 
9.388751 
1 1 1 14  12  23 o 47.74046 6.403508  522.5436       107.7536 450.5652       
214.4974 546.8392       124.6193 44.68164 11.39636 50.79929 5.843172 -6.117657 
12.80702 
1 1 1 14  12  24 f 70.92427 4.839635  1074.444       129.4761 1063.219       
243.2692 1078.881       152.9370 70.44201 8.225767 71.40654 5.101475 
-0.9645309     9.679271 
1 1 1 14  12  25 o 127.7209 4.212349  3503.164       206.4697 3383.524       
374.5896 3555.373       247.4528 125.7939 7.092791 129.6479 4.546191 -3.854034 
8.424698 
1 1 1 14  12  26 o 59.84382 5.411116  738.5446       121.0642 846.3620       
238.5238 701.1313       140.5078 62.33522 9.114217 57.35241 5.835389 4.982807 
10.82223 
1 1 1 14  12  27 o 93.03959 3.918934  1829.215       142.5422 1897.933       
254.6847 1797.871       172.0053 94.02808 6.451584 92.05109 4.450758 1.976990 
7.837868 
1 1 1 14  12  28 o 39.94124 6.572294  366.1139       101.3192 336.5711       
192.2213 377.4795       119.2264 38.08711 11.25226 41.79537 6.794622 -3.708260 
13.14459 
1 1 1 14  12  29 o 78.75912 4.827593  1357.692       146.1866 1324.502       
264.1881 1372.339       175.5040 77.49691 8.119887 80.02133 5.223989 -2.524422 
9.655187 
1 1 1 14  12  30 o 28.34994 6.542124  192.7911       101.6296 -156.9633      
236.1440 272.2987       112.5900 22.32655 10.38945 34.37333 7.953420 -12.04678 
13.08425 
1 1 1 14  12  31 o 24.10104 7.137137  66.95281       100.8989 55.69714       
232.4395 69.56617       112.0014 26.79667 11.50207 21.40541 8.453236 5.391260 
14.27427 
1 1 1 14  12  32 f 31.94584 7.041011  266.2590       103.5377 110.9892       
229.3113 306.0190       116.0394 27.85775 11.66625 36.03393 7.886823 -8.176184 
14.08202 
1 1 1 14  12  33 o 35.71619 7.337593  328.7869       104.2939 289.2094       
239.1028 338.0862       115.9008 33.59561 12.57593 37.83678 7.563539 -4.241177 
14.67519 
1 1 1 14  12  34 o 34.23108 7.617568  221.6627       103.4380 535.5256       
237.9946 148.5674       114.8529 43.27660 12.43646 25.18556 8.800214 18.09104 
15.23514 
1 1 1 14  12  35 f 23.20502 7.188905  29.11345       111.8557 174.1609       
238.9311 -11.59852      126.5839 28.23440 11.87002 18.17563 8.113196 10.05877 
14.37781 
1 1 1 14  12  36 o 39.19968 7.817337  398.0074       119.8045 573.3172       
244.2590 342.4727       137.4769 42.45940 12.71486 35.93995 9.098100 6.519451 
15.63467 
1 1 1 14  12  37 o 30.84655 8.058749  225.5579       123.4977 538.6240       
253.4731 128.1073       141.4185 38.39998 13.10035 23.29312 9.389069 15.10686 
16.11750 
1 1 1 14  12  38 o 39.90852 7.364998  547.1912       126.8670 446.6146       
256.0147 579.9286       146.0622 32.34184 12.77778 47.47520 7.328111 -15.13335 
14.73000 
1 1 1 14  13  0  o 161.6539 4.315225  5464.337       286.8542 5282.188       
367.3741 5748.858       459.1486 158.3050 5.527578 165.0027 6.628012 -6.697678 
8.630450 
1 1 1 14  13  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  13  2  o 96.07388 3.315564  1939.522       133.5784 2002.819       
194.6769 1883.208       183.6240 97.54939 4.753472 94.59838 4.623457 2.951012 
6.631127 
1 1 1 14  13  3  o 86.93788 2.714707  1582.187       98.84519 1692.832       
146.1252 1488.851       134.2101 89.72611 3.879068 84.14965 3.798864 5.576462 
5.429414 
1 1 1 14  13  4  o 223.3572 7.279485  10478.23       663.4611 10125.55       
838.0937 11070.26       1085.862 218.6463 9.130013 228.0680 11.34048 -9.421677 
14.55897 
1 1 1 14  13  5  o 195.8995 6.986407  8109.028       571.5501 8417.537       
859.9875 7864.954       764.9257 199.1410 10.28614 192.6580 9.456998 6.483032 
13.97281 
1 1 1 14  13  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  13  7  o 182.7118 6.191932  6961.834       457.0922 7435.027       
768.6465 6702.945       568.5448 187.2668 9.776582 178.1568 7.601220 9.109940 
12.38386 
1 1 1 14  13  8  o 186.3145 5.760900  7334.019       450.4877 7579.587       
645.2428 7100.488       629.2307 189.3605 8.116241 183.2684 8.177929 6.092026 
11.52180 
1 1 1 14  13  9  f 204.8890 7.174341  8880.643       600.8527 9042.617       
970.7880 8780.064       764.9849 206.1466 11.21681 203.6314 8.948067 2.515228 
14.34868 
1 1 1 14  13  10 o 156.2183 5.179329  5115.404       337.3521 5469.765       
514.1198 4847.464       447.0550 160.8965 7.610951 151.5401 7.026751 9.356384 
10.35866 
1 1 1 14  13  11 o 98.09464 4.541987  2002.589       185.7883 2298.454       
282.7865 1777.896       246.4368 104.3816 6.452910 91.80766 6.393634 12.57397 
9.083975 
1 1 1 14  13  12 o 47.27687 6.648372  489.4763       128.9212 372.1702       
182.5688 606.1502       182.0762 41.04004 10.54161 53.51370 8.104186 -12.47366 
13.29674 
1 1 1 14  13  13 o 142.6144 5.577621  4305.681       330.9029 4306.571       
503.0079 4305.001       439.3582 142.5459 8.405065 142.6828 7.334461 
-0.1368408     11.15524 
1 1 1 14  13  14 o 56.37556 5.947351  673.4842       133.4019 926.2171       
201.9295 477.7592       177.7019 66.16393 7.269418 46.58720 9.414857 19.57672 
11.89470 
1 1 1 14  13  15 o 66.40196 4.721968  919.0834       130.1589 849.2560       
169.4724 1019.509       203.2395 63.39295 6.367649 69.41097 6.974307 -6.018024 
9.443935 
1 1 1 14  13  16 o 103.2383 4.276330  2223.230       182.9603 2082.618       
237.3883 2428.965       287.1445 99.30888 5.693670 107.1677 6.382014 -7.858788 
8.552659 
1 1 1 14  13  17 o 71.12898 4.701167  1089.394       137.7547 1195.061       
184.0745 954.8813       207.6844 75.18851 5.831272 67.06947 7.375645 8.119041 
9.402333 
1 1 1 14  13  18 o 83.08496 3.616256  1461.648       125.0954 1489.200       
167.4143 1426.817       188.2332 84.00840 4.746689 82.16151 5.456937 1.846886 
7.232511 
1 1 1 14  13  19 o 92.93072 3.393326  1786.273       121.2117 1916.201       
225.2826 1733.335       143.8002 95.15709 5.639071 90.70435 3.776179 4.452744 
6.786652 
1 1 1 14  13  20 f 84.21361 3.786945  1474.873       121.9409 1562.285       
227.9846 1439.845       144.3193 85.80219 6.328901 82.62504 4.160388 3.177147 
7.573890 
1 1 1 14  13  21 o 89.25890 3.619221  1689.608       125.7364 1670.395       
224.0406 1698.442       151.9169 88.76694 6.011690 89.75085 4.031704 
-0.9839020     7.238443 
1 1 1 14  13  22 o 86.40862 3.888581  1477.141       125.2743 1807.810       
251.7974 1368.368       144.4164 92.27714 6.499475 80.54010 4.270958 11.73704 
7.777163 
1 1 1 14  13  23 o 162.6462 5.367103  5635.718       342.1655 5659.818       
603.5234 5624.304       415.3732 162.4411 8.849510 162.8513 6.075306 
-0.4102020     10.73421 
1 1 1 14  13  24 o 97.39584 4.384815  2066.462       171.6431 1816.802       
276.9433 2222.175       218.7154 92.30983 7.146016 102.4819 5.083390 -10.17204 
8.769629 
1 1 1 14  13  25 o 72.10512 4.165623  1041.712       117.1302 1278.985       
217.6748 945.0104       138.9638 77.41716 6.697181 66.79307 4.955546 10.62409 
8.331246 
1 1 1 14  13  26 o 140.3175 4.237488  4216.775       237.3851 4144.210       
401.4877 4255.779       294.3479 139.0306 6.878331 141.6044 4.951140 -2.573837 
8.474977 
1 1 1 14  13  27 o 46.13348 5.941286  457.5231       101.7424 506.6962       
193.1585 438.6418       119.6923 47.03783 10.07292 45.22912 6.303316 1.808708 
11.88257 
1 1 1 14  13  28 o 142.9895 4.546066  4470.484       255.9811 4200.406       
439.0053 4609.614       315.0904 138.9965 7.522927 146.9824 5.106118 -7.985901 
9.092133 
1 1 1 14  13  29 o 92.63106 4.323158  1906.620       147.4843 1733.146       
280.4567 1972.931       173.3960 88.98456 7.507101 96.27757 4.289780 -7.293007 
8.646316 
1 1 1 14  13  30 o 53.27327 6.252119  583.6896       116.0321 779.1276       
249.5902 529.8052       131.0552 57.21997 10.78458 49.32656 6.328410 7.893410 
12.50424 
1 1 1 14  13  31 o 29.95614 6.928229  165.6955       85.14459 312.2703       
189.1575 128.4514       95.35039 35.71588 11.28904 24.19641 8.034856 11.51947 
13.85646 
1 1 1 14  13  32 o 26.38836 7.418472  78.25990       100.8853 259.3594       
231.1679 35.65316       112.1265 33.12399 12.37220 19.65273 8.189236 13.47127 
14.83694 
1 1 1 14  13  33 o 53.64662 6.523818  720.5688       111.0517 647.2108       
246.1634 739.3134       124.4335 49.18025 12.00954 58.11300 5.100174 -8.932747 
13.04764 
1 1 1 14  13  34 o 30.10908 7.472578  201.6171       94.60224 278.9012       
238.7665 187.2254       103.0347 32.52370 12.46114 27.69447 8.250914 4.829229 
14.94516 
1 1 1 14  13  35 o 44.81439 7.196440  540.3245       114.8313 504.4392       
248.3291 550.0848       129.5096 40.58828 12.94557 49.04051 6.290250 -8.452229 
14.39288 
1 1 1 14  13  36 o 41.83955 6.699546  593.1284       129.4468 135.2847       
258.2486 746.7623       149.5971 26.91189 11.83790 56.76720 6.276920 -29.85531 
13.39909 
1 1 1 14  13  37 o 87.71819 5.966774  1812.798       180.3780 2312.288       
397.8098 1683.526       202.3779 90.15604 10.50997 85.28033 5.652432 4.875710 
11.93355 
1 1 1 14  13  38 o 22.34345 6.833812  110.7406       120.2223 -67.45481      
252.1085 163.1897       136.7755 20.67598 9.941256 24.01093 9.379520 -3.334949 
13.66762 
1 1 1 14  14  0  o 81.65409 3.044343  1406.927       104.0769 1345.667       
150.7780 1462.679       143.8410 79.94200 4.492458 83.36618 4.109735 -3.424179 
6.088686 
1 1 1 14  14  1  o 88.99833 3.189318  1653.797       117.0947 1739.210       
185.5716 1597.291       150.9366 90.87116 4.864145 87.12550 4.126391 3.745667 
6.378637 
1 1 1 14  14  2  o 213.5261 8.715313  9667.353       781.2911 0.000000       
0.000000 9667.353       781.2911 ?        ?        213.5261 8.715313 ? ? 
1 1 1 14  14  3  o 245.8440 8.006180  12789.54       826.3498 12789.54       
826.3498 0.000000       0.000000 245.8440 8.006180 ?        ?        ? ? 
1 1 1 14  14  4  o 46.67394 4.765615  452.6615       92.46661 552.5806       
140.0885 375.5204       123.0895 51.17544 6.520216 42.17245 6.952058 9.002995 
9.531229 
1 1 1 14  14  5  f 28.66739 7.125465  145.1162       103.4623 194.9119       
171.8658 116.8135       129.5709 31.56180 10.78727 25.77298 9.312561 5.788818 
14.25093 
1 1 1 14  14  6  o 184.5120 7.490481  7192.840       580.2476 7192.840       
580.2476 0.000000       0.000000 184.5120 7.490481 ?        ?        ? ? 
1 1 1 14  14  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  14  8  f 154.5284 4.671286  4948.736       297.6178 5498.183       
476.8706 4598.176       380.9071 161.3771 7.038494 147.6796 6.143554 13.69751 
9.342571 
1 1 1 14  14  9  o 60.48001 5.105995  766.5999       128.7386 907.0169       
190.6392 648.8834       174.5505 65.54671 6.927592 55.41331 7.502881 10.13340 
10.21199 
1 1 1 14  14  10 o 85.62463 4.813879  1544.914       172.8446 1605.427       
252.0687 1491.210       237.4630 87.19872 6.885413 84.05056 6.729400 3.148155 
9.627759 
1 1 1 14  14  11 o 167.2184 5.394493  5991.576       368.9649 5538.456       
579.4577 6300.566       478.5059 161.6739 8.536954 172.7630 6.597169 -11.08911 
10.78899 
1 1 1 14  14  12 o 53.85075 5.584217  615.1460       125.9937 583.7476       
180.7045 644.8502       175.7622 52.49308 8.199512 55.20841 7.583004 -2.715332 
11.16843 
1 1 1 14  14  13 o 168.6174 5.601427  5971.810       377.3188 6191.083       
646.2974 5858.427       464.7437 170.7175 9.017278 166.5174 6.647754 4.200104 
11.20285 
1 1 1 14  14  14 o 186.7838 6.467507  7405.067       506.5059 7944.735       
734.5766 6915.937       699.3369 193.2822 9.052452 180.2854 9.239466 12.99680 
12.93501 
1 1 1 14  14  15 o 22.08926 6.630859  0.7575122      105.0300 -23.20285      
135.2320 37.18250       166.7372 19.87402 8.655135 24.30451 10.04798 -4.430490 
13.26172 
1 1 1 14  14  16 o 134.1301 4.599570  3686.772       229.9378 3552.705       
266.9462 4072.241       452.6435 129.7914 4.898905 138.4688 7.786201 -8.677383 
9.199141 
1 1 1 14  14  17 o 298.7301 6.646160  18918.62       779.4845 18609.05       
944.4585 19579.98       1380.451 295.8989 7.602574 301.5613 10.90352 -5.662445 
13.29232 
1 1 1 14  14  18 o 82.52304 3.767269  1487.458       122.5786 1288.683       
205.2101 1597.726       152.8423 77.98589 6.267637 87.06020 4.181625 -9.074310 
7.534538 
1 1 1 14  14  19 o 85.66431 3.424609  1559.866       121.6213 1480.718       
184.6085 1620.562       161.6633 83.68578 5.254376 87.64285 4.393556 -3.957069 
6.849219 
1 1 1 14  14  20 o 81.09810 3.938071  1357.079       127.6395 1506.401       
221.6809 1283.025       156.1140 84.25960 6.266571 77.93661 4.771133 6.322990 
7.876143 
1 1 1 14  14  21 o 132.7873 4.647683  3759.047       238.8549 3707.282       
429.4180 3782.237       287.4208 131.8196 7.759277 133.7549 5.118344 -1.935318 
9.295365 
1 1 1 14  14  22 o 121.8946 4.694052  3185.985       218.4606 3082.768       
400.1022 3229.828       260.7622 120.1686 7.930509 123.6206 5.024292 -3.452011 
9.388103 
1 1 1 14  14  23 o 161.4038 4.291694  5563.356       287.3370 5246.357       
434.1382 5810.466       383.3047 157.1391 6.580590 165.6685 5.510933 -8.529465 
8.583388 
1 1 1 14  14  24 o 42.15781 6.691280  477.1398       118.5475 127.3168       
219.1123 621.9196       140.9602 30.20776 11.85699 54.10785 6.205220 -23.90009 
13.38256 
1 1 1 14  14  25 o 62.06604 5.149109  878.5427       119.6241 696.1669       
213.0014 962.5677       144.5782 56.74485 8.940813 67.38723 5.110300 -10.64238 
10.29822 
1 1 1 14  14  26 o 36.48844 6.826231  237.1230       101.1687 492.2175       
195.9349 144.3905       118.1346 46.46700 10.31524 26.50988 8.943458 19.95713 
13.65246 
1 1 1 14  14  27 o 52.69351 5.103336  569.8976       100.3443 665.2156       
199.0474 537.4196       116.1887 55.20092 8.588778 50.18610 5.514442 5.014816 
10.20667 
1 1 1 14  14  28 o 34.77665 7.050019  254.9223       98.58319 333.2670       
192.4133 227.0364       114.7950 37.93190 11.27008 31.62139 8.473272 6.310514 
14.10004 
1 1 1 14  14  29 o 58.00719 5.371535  792.5394       105.6655 652.8393       
208.4403 840.8564       122.5839 53.23469 9.684154 62.77968 4.650882 -9.544987 
10.74307 
1 1 1 14  14  30 o 47.85666 6.549873  449.8882       109.8318 716.7118       
238.6915 378.2191       123.7060 54.87357 10.74397 40.83975 7.494702 14.03382 
13.09975 
1 1 1 14  14  31 o 80.82555 4.657622  1290.339       125.6246 1702.210       
299.1006 1202.120       138.4262 86.79547 8.208076 74.85561 4.404686 11.93986 
9.315244 
1 1 1 14  14  32 f 56.52503 5.500352  609.6588       107.1647 956.5525       
251.4801 532.6885       118.4587 63.76750 9.393456 49.28257 5.725252 14.48493 
11.00070 
1 1 1 14  14  33 o 26.26934 6.823258  157.3372       100.5208 -53.52014      
231.7993 206.1743       111.5560 23.32614 10.63317 29.21255 8.553548 -5.886410 
13.64652 
1 1 1 14  14  34 o 20.06400 6.320188  -8.193769      106.9387 -296.7863      
236.9356 65.63448       119.8392 19.06983 9.279482 21.05818 8.583140 -1.988350 
12.64038 
1 1 1 14  14  35 f 25.40764 6.917286  146.6555       110.1959 -91.44430      
241.8553 209.0336       123.7919 22.17371 10.38479 28.64157 9.140656 -6.467855 
13.83457 
1 1 1 14  14  36 o 18.85032 6.336535  -86.23001      116.6549 -130.6479      
240.7152 -72.59634      133.3617 21.01348 10.00268 16.68717 7.781592 4.326303 
12.67307 
1 1 1 14  14  37 o 42.01536 7.884756  468.4546       125.0710 697.8023       
259.6240 399.1443       142.7238 45.56225 12.95603 38.46846 8.989927 7.093788 
15.76951 
1 1 1 14  14  38 o 55.82663 7.416301  946.2427       129.2720 899.2222       
293.0225 957.6059       144.0478 47.71857 13.82775 63.93470 5.366499 -16.21613 
14.83260 
1 1 1 14  15  0  o 110.7118 3.425993  2584.870       158.5230 2596.316       
214.5069 2571.097       235.3044 111.0044 4.602802 110.4193 5.075819 0.5850754 
6.851987 
1 1 1 14  15  1  o 82.57057 3.209480  1428.366       110.5841 1221.426       
150.9788 1667.880       162.4269 76.14126 4.722989 88.99988 4.347001 -12.85862 
6.418960 
1 1 1 14  15  2  o 100.0726 3.390671  2099.589       140.7677 2047.137       
184.3268 2172.987       218.0453 98.60413 4.452609 101.5411 5.114770 -2.936935 
6.781342 
1 1 1 14  15  3  o 182.1818 4.719396  6997.129       359.9183 7196.607       
532.6642 6829.539       488.2355 184.5306 6.875529 179.8330 6.466674 4.697601 
9.438791 
1 1 1 14  15  4  o 171.2201 6.076111  6185.189       436.7767 0.000000       
0.000000 6185.189       436.7767 ?        ?        171.2201 6.076111 ? ? 
1 1 1 14  15  5  o 81.46439 5.234372  1356.444       175.8032 1158.084       
224.3458 1672.062       282.9908 74.01936 7.219276 88.90942 7.581335 -14.89005 
10.46874 
1 1 1 14  15  6  o 60.44276 5.852973  757.0546       144.2075 708.3846       
180.8223 842.1014       239.0287 57.88277 7.440869 63.00275 9.036736 -5.119984 
11.70595 
1 1 1 14  15  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  15  8  o 88.36150 4.382701  1636.369       162.0514 1809.877       
240.5064 1492.098       219.3083 92.62424 6.184763 84.09875 6.211359 8.525490 
8.765402 
1 1 1 14  15  9  o 94.66656 4.594656  1863.740       180.1253 1733.497       
233.0555 2056.962       283.8653 90.64923 6.123734 98.68391 6.851522 -8.034676 
9.189313 
1 1 1 14  15  10 o 72.94597 4.651160  1123.262       142.4239 1143.313       
203.4146 1103.980       199.4788 73.58394 6.584460 72.30799 6.571001 1.275948 
9.302320 
1 1 1 14  15  11 o 131.6122 5.067078  3578.483       275.4964 4132.377       
440.0435 3221.428       353.3047 139.7502 7.500050 123.4741 6.815450 16.27611 
10.13416 
1 1 1 14  15  12 o 47.79699 6.494476  479.8912       126.5694 655.3865       
196.0327 354.4326       165.7470 55.58281 8.400575 40.01117 9.906725 15.57164 
12.98895 
1 1 1 14  15  13 o 66.92475 4.761186  941.6412       133.1648 1078.494       
195.8780 824.0378       181.5805 71.43458 6.531281 62.41493 6.929497 9.019650 
9.522371 
1 1 1 14  15  14 f 172.0482 5.033376  6250.800       335.9611 6222.734       
403.8754 6313.844       605.3237 171.7076 5.602461 172.3888 8.363726 
-0.6811523     10.06675 
1 1 1 14  15  15 o 61.94026 4.807055  795.9010       122.4022 736.8499       
155.6167 891.7097       198.2186 59.02781 6.279434 64.85272 7.280098 -5.824917 
9.614111 
1 1 1 14  15  16 o 92.56997 4.312921  1821.083       164.5396 1859.112       
214.5034 1766.719       256.4676 93.82124 5.445704 91.31870 6.689502 2.502533 
8.625841 
1 1 1 14  15  17 o 57.37069 4.637506  623.9070       103.0979 900.8167       
197.9389 520.8159       120.7738 65.12066 7.239914 49.62072 5.797367 15.49994 
9.275011 
1 1 1 14  15  18 o 101.3253 4.117857  2248.816       162.9868 1954.901       
278.0772 2402.626       201.1627 95.93439 6.904180 106.7163 4.489912 -10.78191 
8.235715 
1 1 1 14  15  19 o 24.07235 6.895431  58.31728       100.3954 58.83580       
186.6798 58.10628       119.0823 26.16084 10.69599 21.98386 8.705376 4.176979 
13.79086 
1 1 1 14  15  20 o 60.21246 4.749074  753.4459       108.9439 811.4589       
205.6067 730.8004       128.4592 61.64065 7.944950 58.78427 5.205052 2.856384 
9.498147 
1 1 1 14  15  21 o 136.9905 4.879200  3932.242       251.9928 4122.772       
480.8473 3860.103       295.8769 138.8721 8.247327 135.1090 5.216125 3.763138 
9.758399 
1 1 1 14  15  22 o 107.9058 3.780201  2488.444       160.4489 2389.228       
278.1199 2537.938       196.4334 106.1264 6.242085 109.6852 4.265682 -3.558769 
7.560401 
1 1 1 14  15  23 o 112.3941 4.639034  2740.778       201.1916 2535.848       
357.3676 2835.868       243.4351 108.9697 7.811430 115.8185 5.006407 -6.848846 
9.278068 
1 1 1 14  15  24 o 61.10916 4.781606  784.4687       111.7737 821.7737       
208.1010 769.3428       132.5101 61.94117 8.002318 60.27715 5.236214 1.664021 
9.563212 
1 1 1 14  15  25 o 21.41624 6.446145  16.00568       96.59624 -70.75323      
183.6057 49.21019       113.5867 21.74483 9.737023 21.08765 8.449943 0.6571770 
12.89229 
1 1 1 14  15  26 o 68.12790 3.771356  1022.495       98.26341 897.3684       
174.5356 1080.561       118.8971 64.76833 6.418631 71.48747 3.961526 -6.719139 
7.542713 
1 1 1 14  15  27 o 90.75327 4.022453  1827.446       136.3417 1604.639       
251.6766 1919.995       162.2053 86.29794 6.946460 95.20859 4.057981 -8.910652 
8.044907 
1 1 1 14  15  28 o 42.05625 6.156600  517.3417       105.9368 95.96983       
199.2810 683.3240       125.0731 27.55531 11.12966 56.55719 5.267411 -29.00189 
12.31320 
1 1 1 14  15  29 o 21.65578 6.297895  55.57809       81.91032 -46.61281      
187.5026 79.67930       91.05854 22.23349 9.900780 21.07808 7.786430 1.155407 
12.59579 
1 1 1 14  15  30 o 61.47552 5.667535  799.9828       119.6030 914.5736       
265.0938 770.6955       134.0184 63.14361 9.999796 59.80743 5.337407 3.336185 
11.33507 
1 1 1 14  15  31 o 29.19196 6.974997  204.1907       100.8769 30.11131       
227.2822 246.8959       112.5725 25.92561 11.25445 32.45830 8.242553 -6.532684 
13.94999 
1 1 1 14  15  32 o 25.66027 7.377558  83.27944       101.6239 187.0868       
232.4279 58.74450       112.9970 30.53720 12.14009 20.78335 8.386396 9.753847 
14.75512 
1 1 1 14  15  33 o 46.99429 6.979831  548.0377       114.1104 535.1398       
242.7849 551.6948       129.2797 44.24257 12.51222 49.74603 6.190033 -5.503460 
13.95966 
1 1 1 14  15  34 o 29.48988 7.777383  170.1187       109.1472 333.2814       
240.5492 127.8175       122.4814 34.70811 12.67412 24.27165 9.017620 10.43646 
15.55477 
1 1 1 14  15  35 o 83.61687 4.659206  1456.942       131.9249 1889.232       
304.6851 1357.197       146.3555 88.51531 8.198869 78.71843 4.428471 9.796883 
9.318412 
1 1 1 14  15  36 o 32.87611 7.331806  268.9144       102.9636 398.8576       
200.0078 222.0600       120.1006 36.61911 11.61175 29.13310 8.954816 7.486013 
14.66361 
1 1 1 14  15  37 o 25.61801 7.427815  161.3709       119.5092 118.4071       
250.9569 173.9719       135.9095 25.55413 11.41473 25.68190 9.507555 
-0.1277714     14.85563 
1 1 1 14  15  38 o 26.01451 7.502731  201.7979       121.3540 198.0090       
255.2445 202.9044       137.9420 25.88645 11.53888 26.14257 9.592609 
-0.2561207     15.00546 
1 1 1 14  16  0  o 127.0335 3.366853  3403.031       179.5478 3337.506       
252.8136 3469.714       255.0388 125.7966 4.786879 128.2704 4.735884 -2.473732 
6.733706 
1 1 1 14  16  1  o 124.4520 3.473079  3268.112       178.3280 3276.930       
231.8550 3255.339       279.0363 124.7107 4.428267 124.1934 5.351595 0.5173264 
6.946159 
1 1 1 14  16  2  o 174.8023 4.361199  6452.229       318.0930 6410.994       
426.2471 6504.057       477.8684 174.2354 5.827016 175.3693 6.490464 -1.133957 
8.722399 
1 1 1 14  16  3  o 74.41265 3.138188  1164.928       97.92671 1088.294       
136.2732 1246.759       140.8171 71.88050 4.515651 76.94480 4.359104 -5.064301 
6.276376 
1 1 1 14  16  4  o 197.0076 4.857316  8061.883       356.0006 7897.455       
414.3170 8525.773       695.9102 193.5654 5.098308 200.4497 8.269302 -6.884247 
9.714633 
1 1 1 14  16  5  o 109.8794 3.750788  2529.589       172.3338 2378.317       
231.3999 2717.982       258.2362 106.2238 5.188748 113.5351 5.417614 -7.311348 
7.501576 
1 1 1 14  16  6  o 87.68909 8.175492  1630.194       300.9805 1630.194       
300.9805 0.000000       0.000000 87.68909 8.175492 ?        ?        ? ? 
1 1 1 14  16  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  16  8  o 51.87087 5.551041  564.6274       120.2865 626.0375       
181.4010 516.4357       160.6963 54.35886 7.948597 49.38288 7.750873 4.975983 
11.10208 
1 1 1 14  16  9  o 105.4797 4.607313  2332.913       200.5509 2442.609       
317.1543 2259.824       258.8799 107.4764 7.028760 103.4831 5.958679 3.993294 
9.214625 
1 1 1 14  16  10 o 119.8794 4.481255  3029.926       225.2776 3140.747       
328.3891 2931.411       309.6199 121.9375 6.414645 117.8213 6.259307 4.116188 
8.962510 
1 1 1 14  16  11 f 80.85143 4.804921  1384.118       162.7262 1350.524       
236.5785 1414.283       224.1808 79.89642 7.052922 81.80643 6.527277 -1.910019 
9.609841 
1 1 1 14  16  12 o 314.7216 9.764070  21547.27       1258.470 21915.75       
1620.909 20988.08       1996.799 319.2516 12.09335 310.1915 15.33294 9.060059 
19.52814 
1 1 1 14  16  13 o 125.9917 4.417718  3239.948       199.9692 3137.886       
227.9763 3580.459       416.4133 122.0496 4.449121 129.9338 7.633496 -7.884163 
8.835436 
1 1 1 14  16  14 o 164.4089 4.552906  5657.856       304.1728 5485.137       
381.9556 5957.284       502.9080 161.1632 5.645055 167.6546 7.144869 -6.491364 
9.105811 
1 1 1 14  16  15 o 197.6903 5.017446  8252.091       405.9361 8128.696       
517.4276 8449.604       654.6363 195.9926 6.288266 199.3879 7.820280 -3.395309 
10.03489 
1 1 1 14  16  16 f 108.3480 3.683686  2553.718       159.7650 2205.595       
258.8275 2768.004       203.0680 102.0912 6.038695 114.6047 4.220465 -12.51344 
7.367372 
1 1 1 14  16  17 o 74.92215 3.625284  1132.321       108.8658 1364.900       
190.5035 1019.536       132.6616 80.32650 5.648916 69.51779 4.545382 10.80871 
7.250569 
1 1 1 14  16  18 o 181.4076 5.655446  6949.426       406.8815 7247.705       
707.9958 6802.332       497.1866 183.8159 9.174209 178.9993 6.615902 4.816589 
11.31089 
1 1 1 14  16  19 o 60.75571 4.901654  816.6694       116.8810 687.0308       
195.3619 888.9407       145.8664 56.69029 8.208282 64.82114 5.359938 -8.130856 
9.803308 
1 1 1 14  16  20 o 69.28416 4.316700  1003.057       115.0760 1055.405       
212.4394 981.3175       136.9008 70.40955 7.186618 68.15878 4.784154 2.250771 
8.633401 
1 1 1 14  16  21 o 39.19659 6.758258  367.4063       111.3467 211.9542       
196.9988 440.3817       134.9750 32.89554 11.52238 45.49765 7.066191 -12.60212 
13.51652 
1 1 1 14  16  22 o 137.9124 4.088001  4069.336       222.1916 3909.475       
383.7054 4149.984       272.5344 135.6305 6.738474 140.1943 4.630331 -4.563828 
8.176002 
1 1 1 14  16  23 o 110.4933 3.863399  2548.207       165.8005 2682.304       
301.0953 2489.850       198.6274 112.3768 6.381878 108.6098 4.356034 3.766991 
7.726798 
1 1 1 14  16  24 o 61.18138 4.535306  705.2358       106.1350 1031.243       
209.3959 592.5250       123.1226 69.50188 7.176169 52.86088 5.547847 16.64101 
9.070613 
1 1 1 14  16  25 o 93.61983 3.272220  1859.842       120.3631 1842.820       
210.8155 1868.074       146.6071 93.16093 5.390013 94.07873 3.711800 
-0.9178009     6.544440 
1 1 1 14  16  26 o 25.74070 6.653718  119.8059       98.79690 -48.17062      
188.0749 183.8241       116.1069 22.56008 9.993266 28.92132 8.787634 -6.361248 
13.30744 
1 1 1 14  16  27 o 23.69992 6.750803  62.85309       91.55028 91.86626       
183.4085 53.22525       105.6541 26.78054 10.73479 20.61930 8.188870 6.161245 
13.50161 
1 1 1 14  16  28 o 85.80382 3.819814  1469.313       125.9984 1842.445       
241.2251 1329.319       147.7562 92.53630 6.209140 79.07134 4.450899 13.46496 
7.639628 
1 1 1 14  16  29 o 23.61246 6.368424  99.96257       82.06924 -28.42512      
187.1637 130.5242       91.31625 22.71556 10.02742 24.50937 7.853547 -1.793806 
12.73685 
1 1 1 14  16  30 o 67.41405 5.739565  1127.861       121.3330 840.0355       
255.8616 1211.365       137.8142 59.53158 10.61908 75.29651 4.359535 -15.76493 
11.47913 
1 1 1 14  16  31 o 29.64674 7.567505  132.2265       102.1440 343.8635       
229.6992 80.06070       114.0399 37.22699 12.47087 22.06650 8.575899 15.16050 
15.13501 
1 1 1 14  16  32 o 43.50248 7.250588  431.3511       116.1037 553.5689       
236.1022 392.3700       133.3398 46.10424 12.06025 40.90072 8.051983 5.203518 
14.50118 
1 1 1 14  16  33 o 81.97106 5.066270  1436.228       154.2236 1736.670       
308.6349 1336.243       178.0460 86.00614 8.547451 77.93598 5.441457 8.070160 
10.13254 
1 1 1 14  16  34 o 43.94648 7.349610  497.6472       122.1743 493.9195       
245.0169 498.8808       140.9469 41.39244 12.80403 46.50053 7.219691 -5.108089 
14.69922 
1 1 1 14  16  35 o 61.22157 6.828881  988.3205       140.8524 855.5800       
277.9197 1034.200       163.3910 54.67337 12.39178 67.76976 5.742661 -13.09639 
13.65776 
1 1 1 14  16  36 o 21.55971 6.590663  33.21592       118.8008 -297.9074      
248.0760 131.7515       135.3276 18.99139 9.291820 24.12803 9.349302 -5.136633 
13.18133 
1 1 1 14  16  37 o 23.48023 6.956073  109.7319       119.7591 -114.3687      
253.6267 174.0343       135.8586 21.24512 10.15550 25.71535 9.508609 -4.470230 
13.91215 
1 1 1 14  16  38 o 27.75560 7.192600  256.5623       123.3539 41.10569       
261.3519 318.3161       139.9194 22.86880 10.72550 32.64240 9.586325 -9.773600 
14.38520 
1 1 1 14  17  0  f 212.4619 4.658984  9571.467       414.0029 9557.287       
561.4891 9588.359       612.8544 212.3828 6.297136 212.5410 6.868085 
-0.1582031     9.317967 
1 1 1 14  17  1  o 60.81528 3.139833  780.0064       80.12788 769.9677       
114.6880 789.5794       111.9959 60.42810 4.520640 61.20247 4.358672 
-0.7743645     6.279666 
1 1 1 14  17  2  o 30.87451 5.295270  209.6470       67.90741 224.1296       
99.85103 197.1842       92.62655 31.85690 7.567776 29.89211 7.408664 1.964790 
10.59054 
1 1 1 14  17  3  o 46.94487 4.632545  494.8617       83.71407 318.7673       
120.8251 657.4400       116.0956 38.05853 7.830111 55.83121 4.952903 -17.77267 
9.265089 
1 1 1 14  17  4  o 163.0865 3.730847  5535.809       252.0026 5179.872       
326.3791 6061.259       396.5538 156.7312 4.960070 169.4418 5.574458 -12.71056 
7.461694 
1 1 1 14  17  5  o 162.3560 4.160735  5506.809       276.9197 5299.900       
352.2600 5841.531       448.0393 158.5016 5.293594 166.2104 6.420649 -7.708801 
8.321470 
1 1 1 14  17  6  o 54.85342 7.349341  660.0336       164.1658 850.0203       
236.2244 482.5658       228.3090 63.20451 8.902208 46.50234 11.69624 16.70218 
14.69868 
1 1 1 14  17  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  17  8  o 84.90836 7.009134  1525.937       249.8583 1525.937       
249.8583 0.000000       0.000000 84.90836 7.009134 ?        ?        ? ? 
1 1 1 14  17  9  o 38.89172 7.163102  327.3202       120.9058 450.4202       
178.3425 222.6240       164.4717 45.10981 9.695407 32.67362 10.54700 12.43620 
14.32620 
1 1 1 14  17  10 o 100.8465 4.424472  2148.784       187.1523 2161.223       
270.9372 2137.433       258.8247 101.1119 6.382449 100.5812 6.129288 0.5307159 
8.848945 
1 1 1 14  17  11 o 23.52545 6.319642  31.06096       92.16232 -63.96410      
117.5629 182.5744       148.4488 17.01416 7.696831 30.03674 10.02548 -13.02258 
12.63928 
1 1 1 14  17  12 o 142.7858 4.988799  4259.064       284.4245 4130.140       
349.2379 4513.014       490.1478 139.8100 5.949825 145.7615 8.009498 -5.951523 
9.977598 
1 1 1 14  17  13 o 103.7276 4.248353  2202.080       177.8358 2029.723       
219.2381 2533.647       304.0796 98.06043 5.325291 109.3947 6.620822 -11.33431 
8.496705 
1 1 1 14  17  14 o 87.82188 4.257872  1628.808       156.8696 1714.008       
226.6524 1550.470       217.3351 90.02573 5.996734 85.61804 6.046244 4.407692 
8.515743 
1 1 1 14  17  15 o 148.3941 3.982845  4704.957       234.1788 4501.208       
399.7992 4811.372       288.9319 145.7424 6.533971 151.0458 4.556253 -5.303452 
7.965690 
1 1 1 14  17  16 o 205.3498 5.136035  8939.362       431.4771 9071.507       
694.9078 8856.452       550.4379 206.2999 8.023229 204.3996 6.414300 1.900299 
10.27207 
1 1 1 14  17  17 o 33.51060 7.037562  232.2111       98.61632 279.8883       
184.6623 213.1888       116.6419 35.91894 11.11670 31.10227 8.632970 4.816671 
14.07512 
1 1 1 14  17  18 o 160.6786 4.183658  5488.481       276.6509 5377.749       
434.2271 5564.140       358.9271 159.1551 6.498564 162.2020 5.270733 -3.046951 
8.367315 
1 1 1 14  17  19 o 61.44153 5.038332  853.2498       113.9713 695.2153       
210.5528 918.7436       135.5458 56.94380 8.807155 65.93926 4.896243 -8.995461 
10.07666 
1 1 1 14  17  20 o 148.8990 3.977256  4666.367       231.5634 4770.007       
412.4792 4618.671       279.8185 149.8725 6.555431 147.9256 4.505617 1.946930 
7.954512 
1 1 1 14  17  21 f 140.3660 5.006028  4157.752       259.0963 4263.835       
509.2383 4120.699       300.9634 141.1203 8.595135 139.6116 5.134678 1.508667 
10.01206 
1 1 1 14  17  22 o 54.00809 5.628941  626.3181       111.3118 644.7921       
211.0104 619.1951       131.0253 53.95471 9.665112 54.06148 5.772826 
-0.1067696     11.25788 
1 1 1 14  17  23 o 105.1751 3.145499  2372.495       130.4422 2226.230       
223.6942 2447.856       160.5679 102.5674 5.194771 107.7829 3.548380 -5.215446 
6.290997 
1 1 1 14  17  24 o 103.9396 3.808514  2218.108       151.9917 2470.950       
285.2638 2117.875       179.6095 107.7521 6.305827 100.1271 4.272665 7.625000 
7.617028 
1 1 1 14  17  25 o 80.84566 3.918068  1276.081       121.3182 1673.720       
235.6174 1132.629       141.5196 88.55821 6.337231 73.13309 4.609181 15.42512 
7.836137 
1 1 1 14  17  26 o 26.28086 6.991170  112.4438       97.51036 141.6780       
179.8413 100.2708       116.0495 28.74704 10.87257 23.81469 8.791650 4.932348 
13.98234 
1 1 1 14  17  27 o 91.32152 3.752022  1835.744       133.9386 1611.687       
228.6192 1952.837       165.2720 86.65131 6.284325 95.99173 4.100968 -9.340424 
7.504044 
1 1 1 14  17  28 f 37.23773 5.578291  355.8062       83.64336 166.3004       
142.1029 456.2701       103.4657 28.28945 9.797835 46.18601 5.335893 -17.89656 
11.15658 
1 1 1 14  17  29 f 74.92850 3.931419  1191.557       104.8785 1237.611       
217.3486 1177.579       119.7412 75.38986 6.866967 74.46714 3.830011 0.9227219 
7.862837 
1 1 1 14  17  30 o 34.41280 6.602065  280.3812       87.06353 249.1296       
189.9268 288.6954       97.96255 33.04023 11.33835 35.78537 6.766891 -2.745132 
13.20413 
1 1 1 14  17  31 o 32.82656 6.758037  274.1411       103.5713 134.4018       
183.7911 339.1670       125.3742 27.50124 10.83873 38.15189 8.075033 -10.65066 
13.51607 
1 1 1 14  17  32 o 57.88940 5.232537  776.0138       116.7738 699.8344       
204.0241 813.1272       142.4057 54.83437 8.862366 60.94443 5.565633 -6.110058 
10.46507 
1 1 1 14  17  33 o 65.13455 4.847020  976.7292       119.3195 911.0781       
217.5850 1004.962       142.6877 62.45692 8.297925 67.81219 5.011871 -5.355270 
9.694040 
1 1 1 14  17  34 o 83.97636 4.205506  1562.853       139.4211 1633.013       
243.7027 1528.718       169.9868 84.47114 6.871840 83.48158 4.850044 0.9895630 
8.411012 
1 1 1 14  17  35 o 63.05783 5.043439  917.1601       117.6879 950.3687       
227.0424 904.9589       137.6198 62.29299 8.681381 63.82267 5.136022 -1.529682 
10.08688 
1 1 1 14  17  36 o 21.52324 6.642963  47.51010       102.1288 48.86040       
203.2499 47.05402       118.1241 23.35803 10.36235 19.68844 8.314901 3.669590 
13.28593 
1 1 1 14  17  37 o 53.94099 7.326684  828.5682       133.0468 768.5767       
278.2794 846.3449       151.4818 47.58311 13.37595 60.29887 5.983733 -12.71577 
14.65337 
1 1 1 14  17  38 o 20.04484 6.501951  18.47705       121.1099 -173.2124      
256.2029 73.63686       137.4347 19.57963 9.550681 20.51006 8.825303 
-0.9304256     13.00390 
1 1 1 14  18  0  o 133.7102 3.083350  3752.561       169.4434 3679.969       
217.4189 3864.858       270.4170 132.1357 3.919207 135.2847 4.761092 -3.148987 
6.166699 
1 1 1 14  18  1  o 120.1047 3.281616  3046.543       165.3535 2940.865       
235.2373 3149.755       232.4774 118.0295 4.747189 122.1798 4.532130 -4.150284 
6.563231 
1 1 1 14  18  2  o 66.51875 3.243229  881.5417       87.62450 1151.738       
148.8300 738.1936       108.4044 73.87019 4.798906 59.16732 4.364015 14.70288 
6.486457 
1 1 1 14  18  3  o 201.6249 4.576028  8609.857       387.1404 8497.281       
537.1848 8731.516       558.4315 200.2781 6.388683 202.9716 6.553233 -2.693558 
9.152056 
1 1 1 14  18  4  o 39.44838 5.244554  319.6805       83.52518 540.3461       
132.4094 173.8396       107.6443 50.52533 6.242098 28.37144 8.429565 22.15390 
10.48911 
1 1 1 14  18  5  o 73.05563 3.612995  1122.544       110.4217 1083.820       
148.9837 1169.745       164.4842 71.67426 4.951042 74.43699 5.263278 -2.762726 
7.225989 
1 1 1 14  18  6  o 162.4977 7.338920  5632.878       492.4843 5504.550       
638.1359 5821.882       774.4432 160.5067 9.469808 164.4888 11.21435 -3.982132 
14.67784 
1 1 1 14  18  7  o 84.39317 6.659281  1508.017       235.9465 1508.017       
235.9465 0.000000       0.000000 84.39317 6.659281 ?        ?        ? ? 
1 1 1 14  18  8  o 105.7710 4.878582  2368.082       216.5374 2434.428       
312.1694 2306.554       300.6175 107.1925 6.936605 104.3496 6.861906 2.842957 
9.757164 
1 1 1 14  18  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  18  10 o 154.6702 7.381343  5108.437       473.9081 4993.310       
622.1376 5267.584       731.4741 152.8250 9.696458 156.5154 11.13174 -3.690384 
14.76269 
1 1 1 14  18  11 o 44.22502 5.662626  421.6349       99.14426 416.8918       
124.7610 429.7632       163.3249 44.36446 6.698303 44.08559 9.132036 0.2788658 
11.32525 
1 1 1 14  18  12 o 55.84187 4.829515  646.3663       111.7557 573.6548       
144.5263 754.4947       176.2443 52.03897 6.615142 59.64478 7.038235 -7.605812 
9.659030 
1 1 1 14  18  13 o 114.3044 3.512200  2734.287       160.8131 2834.370       
273.9467 2681.666       198.6401 115.7991 5.634844 112.8097 4.194129 2.989410 
7.024399 
1 1 1 14  18  14 o 73.41672 3.863901  1087.747       111.4462 1284.938       
202.8741 1002.522       133.3725 77.89427 6.203576 68.93916 4.608097 8.955116 
7.727801 
1 1 1 14  18  15 o 102.2483 3.832539  2158.850       148.7018 2330.945       
282.8774 2093.135       174.8025 104.8516 6.426052 99.64500 4.178431 5.206619 
7.665078 
1 1 1 14  18  16 o 49.31158 5.763795  574.5143       101.6800 426.8850       
184.8675 638.5452       121.7500 43.66550 10.24899 54.95766 5.276693 -11.29216 
11.52759 
1 1 1 14  18  17 o 56.34067 5.012339  657.6784       105.9577 715.0585       
205.4824 636.8947       123.6673 57.81106 8.466125 54.87027 5.368323 2.940788 
10.02468 
1 1 1 14  18  18 o 153.7509 4.997526  5009.889       298.7343 5085.268       
536.4841 4976.012       359.6514 154.1953 8.287179 153.3064 5.587820 0.8888855 
9.995052 
1 1 1 14  18  19 o 119.9016 3.663349  3110.492       176.3873 2778.588       
286.8149 3312.374       223.6890 114.4957 5.966691 125.3075 4.251954 -10.81179 
7.326698 
1 1 1 14  18  20 o 67.47269 4.247198  969.6219       109.3659 953.5491       
201.3686 976.3466       130.2503 66.93677 7.165526 68.00861 4.561797 -1.071838 
8.494395 
1 1 1 14  18  21 o 85.65373 3.843703  1592.248       128.9963 1436.861       
221.3392 1672.173       158.7420 82.27448 6.407877 89.03297 4.246801 -6.758492 
7.687406 
1 1 1 14  18  22 o 54.82479 5.302513  699.7117       99.62957 553.7965       
192.7677 752.8950       116.3783 49.94497 9.534697 59.70460 4.642858 -9.759628 
10.60503 
1 1 1 14  18  23 o 65.11774 4.765334  976.4210       115.1483 732.0477       
204.4204 1089.997       139.3611 58.41773 8.334907 71.81776 4.622007 -13.40004 
9.530667 
1 1 1 14  18  24 o 142.9828 3.420812  4420.838       199.2234 3892.259       
311.2964 4787.510       259.2731 135.4166 5.475493 150.5489 4.102049 -15.13228 
6.841625 
1 1 1 14  18  25 o 71.47910 3.909334  1042.143       104.7965 1187.791       
205.5264 990.9721       121.8227 74.51978 6.569270 68.43842 4.239841 6.081367 
7.818667 
1 1 1 14  18  26 o 69.25168 4.068017  1052.445       109.5517 944.0206       
190.0210 1106.425       134.0771 66.26700 6.830073 72.23637 4.420992 -5.969368 
8.136035 
1 1 1 14  18  27 f 37.31598 6.471717  274.3439       95.71954 465.3698       
177.2323 195.6790       113.7333 45.07348 9.645830 29.55847 8.630785 15.51501 
12.94343 
1 1 1 14  18  28 o 67.90146 4.851214  963.4053       106.6123 1057.310       
254.0110 943.3256       117.4589 69.17064 8.746852 66.63227 4.198774 2.538368 
9.702429 
1 1 1 14  18  29 o 66.39196 5.025451  904.9951       115.5000 1072.178       
256.0452 862.2852       129.4150 69.30263 8.800109 63.48130 4.855790 5.821331 
10.05090 
1 1 1 14  18  30 o 91.32484 3.751070  1819.653       129.9833 1749.995       
239.5328 1848.727       154.7500 89.52357 6.373069 93.12613 3.958040 -3.602562 
7.502140 
1 1 1 14  18  31 o 40.61432 6.347732  413.0437       95.42376 323.1659       
189.4466 443.5989       110.4595 36.16506 11.27329 45.06357 5.838463 -8.898506 
12.69546 
1 1 1 14  18  32 o 22.95367 6.692139  67.95762       93.72423 77.79350       
185.9020 64.60555       108.5260 25.12411 10.51169 20.78323 8.285118 4.340881 
13.38428 
1 1 1 14  18  33 o 51.18955 6.925649  677.2773       123.0122 576.1136       
247.0398 710.6306       141.8484 45.84735 12.49555 56.53175 5.976584 -10.68440 
13.85130 
1 1 1 14  18  34 f 28.33125 7.149248  203.2668       116.7910 -44.70436      
250.1057 272.4178       132.0754 23.84540 10.93577 32.81710 9.211723 -8.971703 
14.29850 
1 1 1 14  18  35 o 42.14343 7.607633  373.5192       118.7298 774.3107       
257.8294 265.6546       133.7558 52.31113 11.99004 31.97572 9.367143 20.33541 
15.21527 
1 1 1 14  18  36 o 64.32387 6.501443  1057.606       133.7924 1033.117       
288.4269 1064.320       151.0237 59.82412 11.90616 68.82362 5.226711 -8.999508 
13.00289 
1 1 1 14  18  37 o 25.83549 7.504378  161.8356       118.8935 157.7373       
250.5016 163.0273       135.0771 26.53257 11.66508 25.13840 9.443972 1.394175 
15.00876 
1 1 1 14  18  38 o 39.29837 8.087170  467.7862       124.8855 649.8014       
270.3649 418.4168       140.8074 39.95365 13.52982 38.64310 8.863026 1.310551 
16.17434 
1 1 1 14  19  0  o 191.9981 3.966852  7817.543       318.0847 7678.901       
472.3248 7932.605       430.2878 190.3472 5.910379 193.6490 5.292549 -3.301758 
7.933704 
1 1 1 14  19  1  o 118.5068 3.234746  2952.303       160.5760 2712.635       
219.4893 3228.296       235.5367 113.3485 4.612312 123.6652 4.536618 -10.31670 
6.469491 
1 1 1 14  19  2  o 66.99987 3.248165  948.3748       90.64757 941.1704       
136.7708 954.0186       121.0534 66.74876 4.880579 67.25098 4.287452 
-0.5022278     6.496330 
1 1 1 14  19  3  o 110.3593 3.535926  2572.647       163.7768 2562.175       
228.5352 2583.704       234.8236 110.1366 4.942454 110.5821 5.057988 
-0.4455719     7.071852 
1 1 1 14  19  4  o 55.45832 3.713977  647.7695       86.28213 711.0168       
125.8720 591.7100       118.5038 58.00908 5.168376 52.90757 5.335015 5.101513 
7.427954 
1 1 1 14  19  5  o 21.88585 5.574154  31.88262       82.51735 -158.7080      
125.3323 177.7127       109.6316 15.12055 7.206590 28.65116 8.505872 -13.53060 
11.14831 
1 1 1 14  19  6  o 183.4034 8.213899  7233.627       612.2385 7095.375       
771.6125 7468.597       1005.927 181.7217 10.11378 185.0851 12.94542 -3.363403 
16.42780 
1 1 1 14  19  7  o 64.71811 5.608431  884.6066       151.2798 747.1039       
205.0440 1048.868       224.1088 59.20545 8.249100 70.23077 7.600682 -11.02533 
11.21686 
1 1 1 14  19  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  19  9  o 166.3140 6.332835  5943.155       437.4275 5655.421       
659.4207 6169.265       584.5554 162.4578 9.668139 170.1702 8.182072 -7.712311 
12.66567 
1 1 1 14  19  10 o 121.1700 5.764793  3101.567       289.4821 2971.476       
376.8501 3288.828       452.1357 118.2147 7.593083 124.1253 8.676200 -5.910599 
11.52959 
1 1 1 14  19  11 o 90.12653 9.102685  1737.357       344.4301 1737.357       
344.4301 0.000000       0.000000 90.12653 9.102685 ?        ?        ? ? 
1 1 1 14  19  12 o 109.8414 4.976969  2541.664       172.9167 2593.432       
418.6901 2531.018       189.8654 110.0963 9.058184 109.5866 4.126763 0.5097275 
9.953938 
1 1 1 14  19  13 o 91.63200 3.732996  1794.455       136.6640 1707.529       
229.0097 1842.533       170.3149 89.78938 6.075053 93.47462 4.339903 -3.685242 
7.465991 
1 1 1 14  19  14 o 156.3412 4.385743  5196.749       271.4481 5130.955       
467.9813 5230.109       333.2337 155.3397 7.175748 157.3427 5.044563 -2.002991 
8.771486 
1 1 1 14  19  15 o 123.4916 4.306664  3203.056       211.7923 3324.942       
365.2824 3141.331       259.9457 125.0643 6.956911 121.9189 5.078466 3.145386 
8.613328 
1 1 1 14  19  16 o 227.0662 5.771900  11037.77       539.6105 10913.03       
847.4338 11122.84       699.8263 225.5803 8.947992 228.5520 7.293336 -2.971710 
11.54380 
1 1 1 14  19  17 o 120.3049 3.681012  3107.337       172.8957 2931.339       
302.5094 3192.719       210.7005 117.5646 6.128912 123.0452 4.078704 -5.480545 
7.362023 
1 1 1 14  19  18 o 141.4424 4.054200  4346.217       225.5704 3909.921       
383.6980 4576.641       278.8455 135.6382 6.737962 147.2465 4.510655 -11.60829 
8.108399 
1 1 1 14  19  19 o 35.63130 6.532062  280.5863       92.50346 276.7284       
171.5081 282.1690       109.8512 35.53771 10.65688 35.72490 7.556609 
-0.1871872     13.06412 
1 1 1 14  19  20 o 84.62994 3.828068  1501.285       120.5868 1546.158       
234.0191 1485.063       140.7051 85.33092 6.532298 83.92897 3.993181 1.401947 
7.656136 
1 1 1 14  19  21 o 63.90285 4.394328  911.5440       107.6135 747.8369       
186.5751 993.1570       131.7346 59.22255 7.503908 68.58315 4.575130 -9.360600 
8.788655 
1 1 1 14  19  22 o 176.6260 5.106948  6631.377       351.3745 6704.270       
628.0218 6598.161       423.9382 176.8248 8.459655 176.4272 5.723452 0.3975677 
10.21390 
1 1 1 14  19  23 o 153.7319 4.513295  4944.709       265.4104 5238.259       
495.4968 4826.597       314.3022 156.4603 7.543237 151.0036 4.957712 5.456741 
9.026590 
1 1 1 14  19  24 o 72.15004 3.916677  1135.220       111.0423 1018.838       
189.0447 1196.527       137.2067 69.08445 6.517864 75.21563 4.344985 -6.131180 
7.833354 
1 1 1 14  19  25 o 65.86810 4.336230  930.2895       114.5188 914.7120       
191.9237 938.9020       142.7075 65.26434 7.004446 66.47186 5.113639 -1.207520 
8.672461 
1 1 1 14  19  26 o 25.04406 6.299957  114.0187       93.06894 -69.70126      
168.7786 194.2912       111.5635 20.59854 9.275331 29.48958 8.527960 -8.891043 
12.59991 
1 1 1 14  19  27 o 43.77458 6.024142  468.7556       98.59957 326.5996       
174.9707 534.9037       119.3552 37.56926 10.62105 49.97990 5.688097 -12.41064 
12.04828 
1 1 1 14  19  28 o 59.38931 5.787207  785.6099       113.5818 782.9020       
245.1276 786.3502       128.1714 58.12587 10.42266 60.65275 5.033405 -2.526882 
11.57441 
1 1 1 14  19  29 o 70.46304 4.900062  1019.254       125.7594 1223.528       
260.0620 956.9053       143.6752 74.15788 8.352965 66.76822 5.125463 7.389656 
9.800123 
1 1 1 14  19  30 o 60.52265 6.433270  903.8538       129.0717 726.3719       
259.6176 962.1246       148.7587 54.30811 11.72004 66.73720 5.309277 -12.42909 
12.86654 
1 1 1 14  19  31 o 62.83081 4.919979  979.0903       109.6345 655.0588       
197.8616 1122.653       131.7007 53.36276 8.831697 72.29885 4.338881 -18.93609 
9.839957 
1 1 1 14  19  32 o 57.16300 6.522444  863.1285       122.4493 611.8636       
242.6510 948.9749       141.8329 48.33392 11.99843 65.99208 5.119247 -17.65816 
13.04489 
1 1 1 14  19  33 f 42.26032 6.616250  566.4680       119.3582 122.6547       
243.6447 706.6110       136.9123 28.08025 11.90439 56.44039 5.777945 -28.36014 
13.23250 
1 1 1 14  19  34 o 53.76818 6.927457  699.9897       124.9052 777.1921       
270.7916 679.1250       140.7755 52.63815 12.43594 54.89821 6.107871 -2.260056 
13.85491 
1 1 1 14  19  35 o 34.18258 7.982608  245.7003       115.7136 546.4969       
251.2945 164.7594       130.3559 42.31361 12.94237 26.05156 9.347892 16.26205 
15.96522 
1 1 1 14  19  36 o 29.56796 7.931903  205.3416       116.7312 353.1405       
251.2421 164.6531       131.8234 33.44766 12.79200 25.68825 9.382165 7.759417 
15.86381 
1 1 1 14  19  37 o 35.02956 7.893327  368.0555       121.6344 402.1852       
255.7841 358.0824       138.2686 33.76819 12.90929 36.29094 9.086735 -2.522747 
15.78665 
1 1 1 14  19  38 o 28.57403 7.165302  280.0810       122.7837 48.50639       
270.8428 339.9846       137.7522 23.11622 10.85539 34.03184 9.355571 -10.91562 
14.33060 
1 1 1 14  20  0  o 50.76435 3.692038  532.3007       77.13906 607.8159       
124.7381 485.5383       98.15916 53.58843 5.544331 47.94027 4.876985 5.648155 
7.384076 
1 1 1 14  20  1  o 72.13658 3.002180  1095.345       90.10302 1114.938       
137.4793 1080.591       119.2963 72.67871 4.505586 71.59445 3.968885 1.084259 
6.004361 
1 1 1 14  20  2  o 84.27316 3.106406  1495.547       108.8612 1521.648       
166.4370 1476.032       143.9134 84.88541 4.670226 83.66090 4.097319 1.224503 
6.212812 
1 1 1 14  20  3  o 41.65063 5.220550  407.5765       84.73717 203.0551       
123.5492 589.2365       116.4395 30.51970 9.022518 52.78156 5.254592 -22.26186 
10.44110 
1 1 1 14  20  4  o 112.2976 3.122980  2662.042       147.0091 2644.886       
213.5616 2677.493       202.6703 111.9364 4.544363 112.6589 4.284948 
-0.7225418     6.245960 
1 1 1 14  20  5  o 155.7028 3.733140  5120.180       243.8723 5315.580       
352.7073 4941.196       337.5658 158.5412 5.298994 152.8644 5.259847 5.676773 
7.466279 
1 1 1 14  20  6  o 165.6742 4.055709  5745.580       278.2644 6196.231       
437.0556 5438.374       360.8536 170.9871 6.088275 160.3613 5.359851 10.62589 
8.111418 
1 1 1 14  20  7  o 114.1104 5.254302  2771.549       251.6207 2781.915       
361.2557 2761.781       350.6711 114.2966 7.528395 113.9241 7.331714 0.3725204 
10.50860 
1 1 1 14  20  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  20  9  o 109.7370 5.160443  2476.778       180.5507 2695.061       
439.5025 2432.461       198.0326 112.0875 9.339536 107.3864 4.392465 4.701035 
10.32089 
1 1 1 14  20  10 f 103.3983 5.144273  2231.263       186.3537 2353.141       
397.4146 2196.911       210.9880 104.8062 9.031872 101.9903 4.927421 2.815880 
10.28855 
1 1 1 14  20  11 o 103.2854 4.713109  2207.823       170.8541 2369.818       
365.1315 2162.409       193.3245 105.3419 8.255992 101.2290 4.548866 4.112923 
9.426218 
1 1 1 14  20  12 o 102.4406 4.378354  2213.804       188.3050 0.000000       
0.000000 2213.804       188.3050 ?        ?        102.4406 4.378354 ? ? 
1 1 1 14  20  13 o 83.69496 4.821326  1494.417       167.0233 1451.160       
256.6435 1526.199       219.9845 82.54902 7.405245 84.84090 6.176010 -2.291878 
9.642653 
1 1 1 14  20  14 o 146.8031 4.461049  4554.521       259.5882 4627.244       
449.6042 4518.156       317.9349 147.4250 7.264073 146.1812 5.180452 1.243790 
8.922098 
1 1 1 14  20  15 f 242.2554 5.871284  12390.76       562.2440 13034.41       
986.5282 12081.12       684.2457 246.1321 9.546898 238.3786 6.837005 7.753494 
11.74257 
1 1 1 14  20  16 o 144.9420 3.810411  4466.862       225.4005 4350.525       
361.6212 4540.777       288.2439 143.2503 6.012837 146.6337 4.682170 -3.383423 
7.620822 
1 1 1 14  20  17 o 197.5650 4.424007  8329.016       363.9616 7831.403       
540.4874 8741.882       492.3173 191.9794 6.705822 203.1507 5.772287 -11.17130 
8.848014 
1 1 1 14  20  18 o 60.15911 4.071355  750.2795       97.23792 816.0928       
170.5522 718.5836       118.3590 61.99366 6.552861 58.32455 4.833604 3.669109 
8.142710 
1 1 1 14  20  19 o 127.9756 3.282484  3478.627       170.2231 3377.447       
277.8529 3539.420       215.3731 126.3759 5.236869 129.5754 3.959042 -3.199478 
6.564968 
1 1 1 14  20  20 o 131.8625 3.389865  3642.074       176.0293 3763.173       
310.2272 3584.570       213.7762 133.3249 5.542295 130.4001 3.904832 2.924744 
6.779731 
1 1 1 14  20  21 o 42.97666 5.936156  398.5203       94.60608 414.2389       
180.4027 392.5578       111.1101 42.94687 10.15298 43.00645 6.153769 
-0.5957794E-01 11.87231 
1 1 1 14  20  22 o 251.5281 6.194727  13425.73       598.4781 14072.69       
1105.181 13157.29       711.8911 254.5610 10.34101 248.4952 6.823647 6.065781 
12.38945 
1 1 1 14  20  23 o 147.2094 4.115462  4610.827       246.0746 4589.922       
401.7778 4623.375       311.2905 146.7062 6.523167 147.7127 5.019601 -1.006439 
8.230924 
1 1 1 14  20  24 o 159.0923 4.567721  5402.702       293.9482 5433.913       
485.7744 5384.671       369.2168 159.0754 7.273656 159.1092 5.527226 
-0.3384399E-01 9.135442 
1 1 1 14  20  25 o 39.97760 6.278509  358.7198       97.79807 365.5945       
170.8719 355.3706       119.2643 39.94859 10.16121 40.00662 7.377570 
-0.5803299E-01 12.55702 
1 1 1 14  20  26 o 65.71110 4.044673  855.8917       104.1618 1116.412       
193.3237 749.3273       123.6434 72.09184 6.387341 59.33035 4.963809 12.76149 
8.089346 
1 1 1 14  20  27 o 109.0791 3.111492  2515.156       135.4653 2575.109       
231.7105 2484.023       166.9733 109.8540 5.024014 108.3043 3.672169 1.549736 
6.222985 
1 1 1 14  20  28 o 61.60109 6.223835  947.6634       128.9249 667.3342       
244.8856 1055.156       151.6418 53.00814 11.33432 70.19405 5.145644 -17.18591 
12.44767 
1 1 1 14  20  29 o 23.02094 6.901590  42.63705       108.0987 -89.57157      
225.1506 82.24236       123.2310 23.18090 10.54347 22.86099 8.908591 0.3199120 
13.80318 
1 1 1 14  20  30 o 22.83439 6.985930  26.05570       100.9716 42.00269       
228.2567 22.17597       112.5863 26.38061 11.36265 19.28818 8.130376 7.092426 
13.97186 
1 1 1 14  20  31 o 57.11644 6.245040  756.7221       121.8436 764.8936       
250.2740 754.1837       139.4904 55.48397 11.13635 58.74890 5.655432 -3.264927 
12.49008 
1 1 1 14  20  32 o 31.18685 7.808141  194.8176       112.2297 347.9415       
233.7221 148.9301       127.9456 36.40697 12.56968 25.96672 9.266680 10.44025 
15.61628 
1 1 1 14  20  33 f 31.74956 7.735900  248.8908       113.7401 241.6716       
243.0011 250.9161       128.7098 31.72481 12.47574 31.77431 9.150545 
-0.4949951E-01 15.47180 
1 1 1 14  20  34 o 54.44316 7.278810  900.9417       137.0294 494.4586       
267.5163 1045.531       159.5499 40.40627 13.45836 68.48005 5.549496 -28.07378 
14.55762 
1 1 1 14  20  35 o 21.77369 6.679727  40.20201       97.98890 99.47161       
201.0386 21.73367       112.2218 25.07226 10.72722 18.47511 7.962515 6.597145 
13.35945 
1 1 1 14  20  36 o 22.59791 7.141347  33.85246       116.4991 115.7198       
247.6281 10.58203       132.0221 26.17881 11.54796 19.01700 8.404756 7.161808 
14.28269 
1 1 1 14  20  37 o 23.54086 6.902730  117.7408       118.2878 -123.4114      
254.1444 184.4281       133.6461 20.97303 10.05904 26.10870 9.455503 -5.135675 
13.80546 
1 1 1 14  20  38 o 40.62788 7.526696  550.8039       126.6795 500.3712       
268.9882 565.1774       143.6013 34.11718 13.18915 47.13857 7.256095 -13.02139 
15.05339 
1 1 1 14  21  0  o 62.24920 3.041168  805.6658       78.47358 890.6899       
123.2224 747.6548       101.7827 64.95528 4.518520 59.54311 4.071584 5.412178 
6.082336 
1 1 1 14  21  1  o 50.58618 3.797383  533.1455       79.80654 597.8641       
124.2637 487.7111       104.1171 53.14452 5.569380 48.02784 5.163571 5.116688 
7.594765 
1 1 1 14  21  2  o 103.1081 3.169442  2223.780       135.9660 2387.670       
209.4467 2104.407       178.7507 106.3357 4.691538 99.88042 4.262737 6.455315 
6.338884 
1 1 1 14  21  3  o 113.6302 3.371815  2734.903       160.2563 2839.101       
220.0602 2617.247       233.8403 115.9765 4.519521 111.2839 5.005046 4.692650 
6.743630 
1 1 1 14  21  4  o 51.82506 4.116491  566.5339       89.02344 660.0843       
130.3064 484.6524       121.9091 55.84066 5.558225 47.80946 6.073559 8.031208 
8.232982 
1 1 1 14  21  5  o 93.47922 3.449581  1852.213       133.8704 1887.927       
177.5786 1805.194       203.7514 94.57494 4.472348 92.38349 5.253240 2.191444 
6.899161 
1 1 1 14  21  6  o 82.46495 2.924091  1458.636       91.40636 1376.796       
168.5184 1492.752       108.8025 80.71198 4.973137 84.21791 3.077198 -3.505928 
5.848182 
1 1 1 14  21  7  o 162.1047 6.251701  5574.037       328.8466 5729.964       
770.4229 5539.299       363.6366 162.3996 11.29966 161.8098 5.352834 0.5897827 
12.50340 
1 1 1 14  21  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  21  9  o 203.9738 8.284213  8694.322       547.1706 9655.518       
1305.124 8489.347       602.6960 208.2467 14.92776 199.7009 7.188516 8.545776 
16.56843 
1 1 1 14  21  10 o 44.34648 6.246509  440.6539       97.05444 407.2860       
200.4429 450.8727       110.9248 42.55345 11.10336 46.13951 5.726332 -3.586063 
12.49302 
1 1 1 14  21  11 o 45.52003 6.395147  507.3114       104.2288 341.9889       
201.5695 567.6475       121.7720 39.25992 11.49846 51.78014 5.601513 -12.52022 
12.79029 
1 1 1 14  21  12 o 44.10911 6.328730  379.8317       94.10137 510.4398       
217.4708 349.7436       104.3792 47.60843 11.07838 40.60979 6.122152 6.998634 
12.65746 
1 1 1 14  21  13 o 70.01202 4.230795  1081.588       112.7759 933.7226       
200.9866 1149.536       136.2456 66.21922 7.229433 73.80483 4.397023 -7.585617 
8.461590 
1 1 1 14  21  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  21  15 o 91.41306 4.513662  1808.260       156.3147 1691.427       
287.4323 1857.325       186.2676 89.04887 7.688263 93.77725 4.731086 -4.728378 
9.027324 
1 1 1 14  21  16 o 101.1998 3.298610  2208.108       131.4521 2026.096       
224.5541 2302.997       162.1362 97.84978 5.466157 104.5498 3.693839 -6.700027 
6.597221 
1 1 1 14  21  17 o 127.9718 3.164992  3453.248       160.3368 3465.585       
277.7382 3447.081       196.3622 128.0289 5.167124 127.9148 3.656437 0.1140671 
6.329984 
1 1 1 14  21  18 o 79.57690 3.699968  1432.688       113.9749 1053.251       
186.6608 1658.250       143.9187 70.45415 6.310555 88.69965 3.864705 -18.24550 
7.399936 
1 1 1 14  21  19 f 112.0280 3.726320  2636.141       161.2159 2702.765       
293.9608 2607.483       192.7961 112.8677 6.203561 111.1883 4.130095 1.679314 
7.452641 
1 1 1 14  21  20 f 80.60789 3.679495  1373.509       115.7709 1378.062       
205.9558 1371.406       139.9789 80.58916 6.087214 80.62664 4.135283 
-0.3748322E-01 7.358991 
1 1 1 14  21  21 o 24.88930 6.561423  87.29611       87.83141 162.3861       
155.1732 51.89780       106.5411 29.00084 10.21960 20.77775 8.232183 8.223097 
13.12285 
1 1 1 14  21  22 o 34.90691 6.338094  238.3907       90.24105 398.4011       
161.5695 165.8435       108.7916 42.11108 9.381969 27.70275 8.524341 14.40833 
12.67619 
1 1 1 14  21  23 o 62.66000 4.323976  845.8569       105.9293 811.6106       
185.5118 862.4252       129.0337 61.52817 7.181557 63.79183 4.817916 -2.263660 
8.647952 
1 1 1 14  21  24 o 106.9151 3.765127  2513.659       162.4789 2060.723       
252.9126 2831.964       212.0184 98.20400 6.134262 115.6261 4.367557 -17.42213 
7.530254 
1 1 1 14  21  25 f 142.3277 3.195128  4243.927       178.3357 4455.203       
317.8542 4146.866       215.4400 144.6126 5.235315 140.0427 3.664265 4.569931 
6.390255 
1 1 1 14  21  26 o 46.59694 5.779417  538.4452       94.70238 366.6640       
175.9851 608.4667       112.3579 39.76311 10.41723 53.43077 5.008795 -13.66766 
11.55883 
1 1 1 14  21  27 o 24.29985 6.218544  116.7292       80.70147 7.174449       
164.3536 151.5351       92.63824 22.47971 9.661257 26.12000 7.832069 -3.640291 
12.43709 
1 1 1 14  21  28 o 83.26122 4.431157  1513.993       136.3963 1474.441       
262.6323 1528.601       159.6088 81.88200 7.639779 84.64043 4.491590 -2.758430 
8.862314 
1 1 1 14  21  29 o 28.51280 7.246868  175.6538       112.0760 9.067619       
227.9951 228.7348       128.6991 25.67040 11.20823 31.35519 9.189335 -5.684795 
14.49374 
1 1 1 14  21  30 o 33.89757 7.560141  276.6176       110.9298 234.8152       
235.0250 288.5995       125.8274 32.82868 12.42544 34.96646 8.615765 -2.137775 
15.12028 
1 1 1 14  21  31 o 23.64989 7.145112  51.88511       109.6832 38.67831       
231.0634 55.72659       124.6183 25.96663 11.31097 21.33314 8.733407 4.633490 
14.29022 
1 1 1 14  21  32 o 71.39371 5.086648  1107.962       133.3349 1262.397       
267.8419 1057.082       153.7384 73.32111 8.701028 69.46631 5.271438 3.854797 
10.17330 
1 1 1 14  21  33 o 20.76961 6.516296  -1.470467      112.1083 -275.8513      
245.1081 71.11453       126.0678 19.84200 9.597498 21.69721 8.816830 -1.855215 
13.03259 
1 1 1 14  21  34 o 34.67928 7.666646  326.7324       116.2719 292.3643       
246.8370 336.5326       131.8113 32.69826 12.63570 36.66030 8.686128 -3.962040 
15.33329 
1 1 1 14  21  35 o 49.91013 6.975820  591.3793       119.3609 769.1475       
261.9324 544.7899       134.0928 51.31202 12.30020 48.50824 6.584321 2.803776 
13.95164 
1 1 1 14  21  36 f 27.37103 7.769607  165.0560       116.4979 283.3718       
253.6516 133.4264       131.1485 30.79492 12.50881 23.94714 9.219378 6.847780 
15.53921 
1 1 1 14  21  37 o 19.32062 6.474756  -55.37149      118.1239 -51.82446      
251.9232 -56.37111      133.7367 21.89037 10.33378 16.75086 7.804023 5.139507 
12.94951 
1 1 1 14  21  38 o 21.89745 6.476039  104.6939       110.8882 -212.8451      
251.2047 181.5430       123.5802 18.75415 9.226389 25.04075 9.090110 -6.286606 
12.95208 
1 1 1 14  22  0  o 171.2255 3.462276  6208.679       246.4114 6137.819       
374.7132 6262.667       327.0800 170.2713 5.241776 172.1797 4.524734 -1.908371 
6.924553 
1 1 1 14  22  1  o 44.49753 4.255435  443.2231       73.95895 331.9609       
111.6144 530.3166       98.75051 38.89268 7.098964 50.10239 4.694637 -11.20971 
8.510870 
1 1 1 14  22  2  o 107.7375 2.519339  2348.320       99.96162 2648.402       
201.5542 2250.431       115.1169 112.0362 4.285036 103.4388 2.650800 8.597443 
5.038677 
1 1 1 14  22  3  f 79.76577 2.871773  1351.919       84.39095 1320.025       
164.3015 1363.348       98.35672 79.03491 4.951577 80.49663 2.910365 -1.461716 
5.743547 
1 1 1 14  22  4  o 48.30171 3.634231  469.2678       65.86459 547.1797       
129.7855 442.2416       76.43931 50.80185 6.085100 45.80158 3.975185 5.000263 
7.268461 
1 1 1 14  22  5  o 72.29707 2.935073  1090.278       78.14706 1127.456       
154.4274 1077.480       90.60449 73.03771 5.036144 71.55644 3.015935 1.481270 
5.870146 
1 1 1 14  22  6  o 160.0034 3.311661  5363.191       208.3706 5527.943       
368.0404 5285.468       252.7868 161.6371 5.423446 158.3698 3.801923 3.267395 
6.623322 
1 1 1 14  22  7  o 44.26659 5.409241  403.3800       93.58319 495.0789       
164.4565 359.4673       113.8058 47.39282 8.580505 41.14037 6.588966 6.252457 
10.81848 
1 1 1 14  22  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  22  9  o 202.8437 5.723336  8664.984       451.8378 9131.156       
816.8601 8459.474       542.3647 206.0768 9.441473 199.6107 6.471852 6.466034 
11.44667 
1 1 1 14  22  10 o 62.73661 4.851521  889.9008       109.7598 729.7835       
209.7648 950.2679       128.7992 58.38218 8.558021 67.09103 4.572670 -8.708855 
9.703042 
1 1 1 14  22  11 o 23.87775 6.615611  61.21277       90.91620 127.4925       
163.4282 31.50765       109.4088 27.74397 10.39478 20.01153 8.186199 7.732435 
13.23122 
1 1 1 14  22  12 o 20.88783 6.040189  4.336478       96.07607 -313.3910      
192.1292 110.2794       110.9435 17.44636 8.448853 24.32930 8.634374 -6.882936 
12.08038 
1 1 1 14  22  13 o 30.28017 7.218227  134.4571       96.05016 313.9713       
204.1152 83.40082       108.8555 37.89310 11.67947 22.66725 8.485348 15.22584 
14.43645 
1 1 1 14  22  14 o 114.0499 4.358958  2753.430       187.8495 2769.947       
353.6602 2746.939       221.7108 114.0357 7.386971 114.0641 4.629764 
-0.2843475E-01 8.717916 
1 1 1 14  22  15 o 121.2776 4.250073  3023.699       197.8777 3350.378       
371.0646 2893.882       233.9132 125.4990 7.042557 117.0563 4.759716 8.442734 
8.500147 
1 1 1 14  22  16 o 108.1038 7.530292  2490.849       341.7682 2490.849       
341.7682 0.000000       0.000000 108.1038 7.530292 ?        ?        ? ? 
1 1 1 14  22  17 o 94.54941 4.399061  1933.291       167.6643 1754.440       
271.4922 2043.557       213.1725 90.79143 7.122518 98.30739 5.164949 -7.515961 
8.798122 
1 1 1 14  22  18 o 43.95486 5.407273  421.1187       89.39992 415.7664       
161.4511 423.4854       107.3618 43.20005 9.178238 44.70968 5.719646 -1.509632 
10.81455 
1 1 1 14  22  19 o 149.7922 4.043626  4763.221       243.1520 4729.140       
407.7781 4782.023       302.8902 149.1630 6.511541 150.4213 4.796195 -1.258301 
8.087253 
1 1 1 14  22  20 o 131.7423 3.274745  3614.594       173.4746 3852.816       
294.8429 3488.467       214.5377 134.8957 5.206113 128.5888 3.973942 6.306854 
6.549490 
1 1 1 14  22  21 o 113.4450 3.585609  2767.810       166.3656 2522.758       
260.0984 2937.483       216.4285 108.9982 5.683808 117.8918 4.372721 -8.893600 
7.171218 
1 1 1 14  22  22 o 49.88029 4.830081  533.5922       95.02932 527.7220       
164.9150 536.5103       116.2743 49.51320 7.933416 50.24737 5.511772 
-0.7341728     9.660161 
1 1 1 14  22  23 o 57.59552 4.268711  683.4783       97.94230 785.7054       
172.3359 634.7074       119.0345 60.54159 6.780208 54.64945 5.188097 5.892139 
8.537421 
1 1 1 14  22  24 o 137.4191 3.789764  4087.395       210.8854 3761.818       
339.1501 4292.629       269.2710 132.5900 6.092595 142.2482 4.508828 -9.658264 
7.579527 
1 1 1 14  22  25 o 18.81332 5.572663  6.279705       65.39944 68.88168       
130.3829 -14.76580      75.59732 22.93071 9.099998 14.69594 6.434931 8.234778 
11.14533 
1 1 1 14  22  26 o 49.47287 4.715412  467.5575       86.19807 665.7320       
180.1032 408.6758       98.17202 55.23159 7.767031 43.71414 5.349175 11.51745 
9.430824 
1 1 1 14  22  27 o 32.91131 6.224483  188.1994       80.63513 410.7340       
166.1924 119.6829       92.21684 42.04049 9.619742 23.78212 7.901726 18.25837 
12.44897 
1 1 1 14  22  28 o 59.60304 5.907254  828.2921       115.3192 747.7861       
244.0735 851.4287       130.8449 56.19674 10.72928 63.00934 4.946215 -6.812595 
11.81451 
1 1 1 14  22  29 o 47.41045 6.905590  560.4516       115.0994 458.2728       
236.1789 592.2778       131.8114 42.67704 12.42964 52.14386 6.021030 -9.466824 
13.81118 
1 1 1 14  22  30 o 37.30637 7.710203  293.5735       113.7576 477.7698       
234.9428 237.1656       130.0145 43.04637 12.35196 31.56636 9.231363 11.48001 
15.42041 
1 1 1 14  22  31 o 25.22860 6.983740  121.7779       101.6897 -19.14515      
229.0971 156.3553       113.4815 24.28099 10.87454 26.17621 8.765554 -1.895224 
13.96748 
1 1 1 14  22  32 o 66.40329 4.752986  960.6637       115.5508 1065.585       
231.8142 925.9756       133.2903 67.64680 8.162323 65.15977 4.872369 2.487038 
9.505972 
1 1 1 14  22  33 f 85.69918 5.555637  1796.997       165.8150 1547.263       
329.3873 1881.766       191.9041 78.81826 9.954079 92.58010 4.937280 -13.76184 
11.11127 
1 1 1 14  22  34 o 31.32628 8.002354  210.1389       114.5342 408.2397       
252.9590 159.0539       128.4558 36.81267 13.04052 25.83989 9.278761 10.97279 
16.00471 
1 1 1 14  22  35 o 51.01283 7.027835  684.6191       117.9061 676.5963       
260.3898 686.6884       132.2397 46.99949 12.83727 55.02616 5.724186 -8.026669 
14.05567 
1 1 1 14  22  36 o 40.33020 8.064070  412.4713       120.7881 659.3848       
272.5007 352.0960       134.7488 44.15317 13.47186 36.50723 8.867126 7.645943 
16.12814 
1 1 1 14  22  37 o 23.39702 7.292318  68.72235       117.7515 243.0700       
248.1246 18.04349       133.7751 27.99659 11.94593 18.79745 8.366980 9.199133 
14.58464 
1 1 1 14  22  38 o 22.64161 7.108804  91.96523       117.0515 214.4820       
237.6969 52.74424       134.4884 25.82886 11.35933 19.45435 8.550211 6.374510 
14.21761 
1 1 1 14  23  0  o 157.0762 2.644781  5002.589       147.4014 5594.453       
313.4865 4834.593       167.0158 162.5934 4.592371 151.5590 2.624803 11.03438 
5.289562 
1 1 1 14  23  1  o 75.26067 2.473355  1212.309       72.52201 1144.088       
127.4608 1244.967       88.18824 73.60914 4.124448 76.91219 2.731093 -3.303055 
4.946710 
1 1 1 14  23  2  o 150.3793 2.768139  4754.142       159.5612 4808.901       
293.9031 4731.257       190.0003 150.8448 4.640822 149.9137 3.018797 0.9310913 
5.536278 
1 1 1 14  23  3  o 120.3476 2.537553  3103.089       123.2308 2856.458       
200.1104 3253.755       156.4059 116.3614 4.096205 124.3338 2.996298 -7.972389 
5.075106 
1 1 1 14  23  4  o 104.8425 2.585686  2358.222       106.3051 2195.643       
183.8895 2439.825       130.2803 102.0036 4.294004 107.6813 2.881772 -5.677681 
5.171371 
1 1 1 14  23  5  o 63.57112 2.990171  858.4239       73.67050 837.1547       
131.8608 868.0756       88.82701 62.93283 4.990677 64.20940 3.295091 -1.276569 
5.980341 
1 1 1 14  23  6  o 67.50706 2.925525  989.3384       79.12752 857.0405       
128.0831 1070.995       100.6265 63.69634 4.789590 71.31778 3.360744 -7.621441 
5.851049 
1 1 1 14  23  7  o 103.1623 3.771027  2302.920       154.8829 2079.126       
257.4536 2429.855       193.8942 99.00604 6.193818 107.3185 4.303396 -8.312454 
7.542055 
1 1 1 14  23  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  23  9  o 135.3867 4.955166  3967.394       257.0799 3725.933       
464.0284 4074.328       308.8029 131.9824 8.374320 138.7911 5.299572 -6.808670 
9.910333 
1 1 1 14  23  10 o 195.8203 5.899213  8210.301       482.9817 8087.798       
713.0656 8314.146       656.5124 194.2921 8.741689 197.3484 7.923744 -3.056229 
11.79843 
1 1 1 14  23  11 o 36.65186 6.669227  226.3241       95.98981 497.4728       
195.4756 140.1633       110.1904 47.15442 10.16404 26.14931 8.637513 21.00511 
13.33845 
1 1 1 14  23  12 o 102.9677 4.395785  2307.391       174.8492 2093.977       
308.3370 2408.547       212.2811 99.14297 7.407723 106.7924 4.734695 -7.649429 
8.791570 
1 1 1 14  23  13 o 100.7632 4.300490  2166.114       171.9227 2110.956       
294.0873 2194.751       211.9039 99.61392 7.031975 101.9125 4.952595 -2.298546 
8.600981 
1 1 1 14  23  14 o 99.17651 4.220097  2058.851       161.7329 2151.579       
295.8637 2019.333       193.1454 100.5684 7.007310 97.78465 4.704730 2.783730 
8.440194 
1 1 1 14  23  15 o 47.52303 6.188968  457.0110       107.8907 576.7308       
213.9615 416.1902       124.9376 50.79491 10.39174 44.25116 6.724961 6.543758 
12.37794 
1 1 1 14  23  16 o 119.5580 4.374846  3076.033       206.4993 2902.220       
353.5353 3166.040       254.4088 116.7283 7.214024 122.3876 4.951260 -5.659248 
8.749693 
1 1 1 14  23  17 o 131.4974 5.385964  3660.489       297.3442 0.000000       
0.000000 3660.489       297.3442 ?        ?        131.4974 5.385964 ? ? 
1 1 1 14  23  18 o 131.8822 8.064520  3723.915       446.5227 3723.915       
446.5227 0.000000       0.000000 131.8822 8.064520 ?        ?        ? ? 
1 1 1 14  23  19 o 53.59612 6.511783  642.5724       124.6802 605.0588       
241.1774 656.2548       145.6534 51.63660 11.42877 55.55565 6.244726 -3.919052 
13.02357 
1 1 1 14  23  20 o 45.91678 4.952335  418.7172       89.97356 548.4069       
163.7013 362.5831       107.6993 50.56440 7.711310 41.26915 6.215963 9.295254 
9.904671 
1 1 1 14  23  21 o 66.24922 3.808564  916.0159       99.80032 980.5522       
175.7042 885.2781       121.2600 67.82066 6.170796 64.67779 4.465639 3.142876 
7.617129 
1 1 1 14  23  22 o 78.39188 3.708916  1327.570       112.9959 1248.224       
199.0396 1365.304       137.2590 76.44079 6.202052 80.34296 4.069247 -3.902168 
7.417831 
1 1 1 14  23  23 f 91.76337 3.235132  1757.983       111.7013 1851.598       
214.1245 1722.983       130.9280 93.20501 5.472025 90.32174 3.452720 2.883270 
6.470265 
1 1 1 14  23  24 o 19.76625 5.952737  19.37569       78.33428 -40.90258      
161.2504 37.99513       89.61974 20.89049 9.253519 18.64202 7.490840 2.248476 
11.90547 
1 1 1 14  23  25 o 82.95940 3.350414  1489.919       106.1744 1403.916       
192.8335 1527.335       127.1902 80.96066 5.673219 84.95812 3.565906 -3.997459 
6.700828 
1 1 1 14  23  26 f 44.54702 5.507998  449.7547       86.18071 425.4889       
171.3542 457.9710       99.70904 42.82074 9.747311 46.27330 5.132454 -3.452564 
11.01600 
1 1 1 14  23  27 o 21.25101 6.621474  -11.19416      81.37177 67.02201       
217.0697 -23.98242      87.77215 27.07804 11.34564 15.42398 6.830233 11.65406 
13.24295 
1 1 1 14  23  28 o 26.53767 7.423129  76.88802       107.0552 224.5597       
222.4415 32.37289       122.1296 32.60869 12.14502 20.46665 8.538729 12.14204 
14.84626 
1 1 1 14  23  29 o 34.16710 7.120625  304.5700       110.9785 129.7800       
226.8424 359.5696       127.2464 28.92573 11.80253 39.40847 7.969539 -10.48274 
14.24125 
1 1 1 14  23  30 o 36.42970 7.479282  277.7485       101.8550 441.0217       
231.3266 238.4818       113.4436 41.15745 12.38354 31.70194 8.390862 9.455505 
14.95856 
1 1 1 14  23  31 o 46.41964 6.862471  499.1596       113.9176 577.4171       
235.9303 475.3680       130.0865 46.79742 11.96178 46.04185 6.729773 0.7555695 
13.72494 
1 1 1 14  23  32 o 25.55017 7.437072  102.0682       111.0640 143.6401       
236.5075 90.30699       125.7975 28.45123 11.87697 22.64911 8.954200 5.802114 
14.87414 
1 1 1 14  23  33 o 22.38000 6.855783  49.01692       112.5188 -120.8236      
244.5690 94.61826       126.7271 22.08761 10.36205 22.67239 8.979692 
-0.5847778     13.71157 
1 1 1 14  23  34 o 41.01696 6.935331  527.4769       120.1445 221.7760       
251.9682 617.4343       136.6833 30.03324 12.37732 52.00069 6.260767 -21.96745 
13.87066 
1 1 1 14  23  35 o 30.05026 7.985876  195.5701       116.3816 410.5074       
253.4151 138.1200       131.0153 35.73286 13.01252 24.36765 9.261268 11.36521 
15.97175 
1 1 1 14  23  36 f 50.17157 6.153987  601.6293       113.3291 770.6613       
221.2609 541.5134       131.9517 52.50256 10.40800 47.84058 6.569611 4.661980 
12.30797 
1 1 1 14  23  37 o 37.86553 6.489385  506.2550       120.5945 144.9609       
243.9762 623.0657       138.7262 25.05606 11.22188 50.67500 6.520574 -25.61894 
12.97877 
1 1 1 14  23  38 o 26.54162 7.426236  214.3148       117.0867 311.9919       
201.4303 164.4697       143.8931 29.15831 11.38411 23.92493 9.539280 5.233377 
14.85247 
1 1 1 14  24  0  o 43.20566 3.152298  410.1630       47.04374 369.7185       
98.33484 422.1668       53.57201 41.65300 5.623183 44.75831 2.850922 -3.105312 
6.304597 
1 1 1 14  24  1  o 82.71888 2.188833  1375.120       66.13162 1579.935       
135.5792 1311.176       75.75461 86.49445 3.733584 78.94331 2.285676 7.551132 
4.377667 
1 1 1 14  24  2  f 65.56918 2.581166  887.3481       61.44641 947.1201       
125.0067 868.3051       70.55894 66.91000 4.450033 64.22837 2.616653 2.681625 
5.162332 
1 1 1 14  24  3  o 79.88416 2.416462  1332.564       69.88082 1370.394       
141.5396 1320.371       80.35776 80.54271 4.185746 79.22559 2.415925 1.317116 
4.832925 
1 1 1 14  24  4  o 162.8737 2.822596  5515.092       164.6828 5758.955       
339.9446 5440.312       188.2467 164.9704 4.908210 160.7769 2.788848 4.193512 
5.645192 
1 1 1 14  24  5  o 23.35117 5.146842  119.2857       53.28236 76.85883       
106.2745 133.5313       61.58132 22.10751 8.358994 24.59484 6.007255 -2.487328 
10.29368 
1 1 1 14  24  6  o 73.14641 2.671591  1048.420       73.13502 1306.224       
146.6383 963.0588       84.37852 78.64956 4.440912 67.64325 2.971177 11.00631 
5.343182 
1 1 1 14  24  7  o 36.85831 6.377957  287.0714       92.14675 350.7841       
167.2494 259.3020       110.4168 39.54085 10.05020 34.17578 7.855372 5.365070 
12.75591 
1 1 1 14  24  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  24  9  o 133.5700 4.203403  3781.137       221.7496 3787.916       
385.4887 3777.785       271.0933 133.4329 6.881289 133.7072 4.829311 
-0.2742615     8.406806 
1 1 1 14  24  10 o 128.7923 4.248007  3398.580       215.3577 3859.103       
387.5899 3192.906       259.0215 134.6930 6.854069 122.8916 5.020358 11.80143 
8.496015 
1 1 1 14  24  11 o 24.41709 6.775269  38.27807       91.34850 176.4884       
185.1832 -6.168122      105.0144 30.87015 11.13520 17.96404 7.721682 12.90611 
13.55054 
1 1 1 14  24  12 o 114.8688 3.901762  2657.342       165.0531 3081.982       
334.6017 2520.787       189.7447 120.4202 6.618355 109.3174 4.134293 11.10274 
7.803524 
1 1 1 14  24  13 o 50.46865 5.859320  540.5088       106.6663 583.6600       
209.3504 525.3791       123.9636 51.16071 10.10642 49.77659 5.931850 1.384117 
11.71864 
1 1 1 14  24  14 o 94.97886 3.730481  1936.018       139.5117 1829.247       
240.2804 1990.318       171.3535 92.83538 6.164899 97.12234 4.202377 -4.286957 
7.460962 
1 1 1 14  24  15 o 36.13530 6.931830  283.0897       98.47473 298.1630       
194.1775 277.8708       114.2577 36.89790 11.39543 35.37270 7.895895 1.525208 
13.86366 
1 1 1 14  24  16 o 44.86088 6.439794  550.6987       113.9593 168.7616       
202.7529 727.0767       137.7823 31.15455 11.59674 58.56720 5.603509 -27.41265 
12.87959 
1 1 1 14  24  17 o 26.34835 7.261322  94.45678       107.2140 119.6844       
199.4327 84.20211       127.1508 28.98792 11.32549 23.70879 9.090683 5.279121 
14.52264 
1 1 1 14  24  18 o 20.25919 6.657673  -114.9861      111.2541 -93.85490      
235.7270 -121.0420      126.1929 24.47443 10.99420 16.04395 7.511720 8.430483 
13.31535 
1 1 1 14  24  19 o 120.4746 4.809773  3074.032       243.2758 0.000000       
0.000000 3074.032       243.2758 ?        ?        120.4746 4.809773 ? ? 
1 1 1 14  24  20 o 50.45598 6.822806  669.6075       128.5006 317.0916       
222.8791 845.1326       157.2713 37.93209 12.28106 62.97987 5.947972 -25.04778 
13.64561 
1 1 1 14  24  21 o 117.1126 4.236835  2906.174       207.5524 2636.711       
280.2365 3233.577       308.8993 111.1388 6.005928 123.0863 5.977617 -11.94759 
8.473669 
1 1 1 14  24  22 o 132.8414 3.118525  3790.375       161.8291 3605.313       
283.3921 3879.922       197.1315 130.1505 5.186364 135.5323 3.464450 -5.381790 
6.237050 
1 1 1 14  24  23 o 38.18997 5.739176  341.4059       80.62831 281.7859       
157.3557 362.6320       93.89034 35.15834 10.11531 41.22160 5.425217 -6.063259 
11.47835 
1 1 1 14  24  24 o 90.55930 3.459830  1734.381       117.2394 1775.944       
225.0634 1718.902       137.3459 90.99854 5.891033 90.12005 3.630072 0.8784866 
6.919660 
1 1 1 14  24  25 o 51.77996 4.488095  565.2123       87.16827 609.1671       
168.4479 549.1371       101.8683 52.81664 7.596540 50.74329 4.781691 2.073349 
8.976191 
1 1 1 14  24  26 o 88.85947 3.432616  1650.109       108.1432 1761.391       
227.2154 1617.517       122.9637 90.32605 5.991641 87.39289 3.351367 2.933159 
6.865233 
1 1 1 14  24  27 o 66.84399 4.955896  925.8635       124.3660 1105.893       
245.0478 863.4050       144.3362 70.40325 8.290471 63.28474 5.432470 7.118511 
9.911793 
1 1 1 14  24  28 o 27.02273 7.350743  135.4352       107.7698 105.2061       
218.1008 145.2003       123.9603 27.93411 11.51441 26.11135 9.140681 1.822763 
14.70149 
1 1 1 14  24  29 o 29.61486 7.610246  188.2932       110.6509 181.0609       
229.7095 190.4783       126.2653 30.56598 12.09487 28.66374 9.239988 1.902246 
15.22049 
1 1 1 14  24  30 f 42.66228 7.417124  387.7577       116.5461 623.2452       
244.0712 318.2039       132.6457 48.96469 11.95932 36.35988 8.776647 12.60480 
14.83425 
1 1 1 14  24  31 o 26.46881 7.164235  142.7475       104.9086 149.8377       
192.1591 139.7369       125.2161 27.65023 11.02397 25.28739 9.152989 2.362843 
14.32847 
1 1 1 14  24  32 o 30.72001 7.834562  162.3042       113.4622 430.5808       
242.9571 87.47503       128.3139 38.90205 12.82572 22.53797 9.001246 16.36408 
15.66912 
1 1 1 14  24  33 o 22.45363 7.077696  14.47454       114.3170 80.10310       
240.2851 -4.725954      129.9680 26.12795 11.45630 18.77930 8.314342 7.348652 
14.15539 
1 1 1 14  24  34 o 42.47408 7.383569  480.6929       119.3177 493.2252       
245.1737 476.8035       136.5834 39.96702 12.87475 44.98114 7.232502 -5.014126 
14.76714 
1 1 1 14  24  35 o 32.80135 7.935863  256.3638       115.3967 480.2874       
241.1313 189.8459       131.4234 38.61075 12.77743 26.99196 9.415353 11.61879 
15.87173 
1 1 1 14  24  36 o 19.16488 6.010572  16.50536       97.30540 -138.7180      
188.4472 72.93711       113.6247 18.10080 8.676722 20.22896 8.320001 -2.128162 
12.02114 
1 1 1 14  24  37 o 22.15550 6.883387  95.11081       117.7566 15.01620       
243.2010 119.6391       134.5851 22.04293 10.33964 22.26807 9.089330 
-0.2251396     13.76677 
1 1 1 14  25  0  o 123.4050 2.320954  3135.853       108.4197 3403.917       
207.3660 3035.006       127.1890 126.7879 3.895656 120.0221 2.524118 6.765892 
4.641908 
1 1 1 14  25  1  o 138.2995 2.385290  4060.997       126.3092 3986.262       
231.2891 4092.758       150.7785 137.2141 4.014927 139.3849 2.576587 -2.170822 
4.770581 
1 1 1 14  25  2  o 95.40202 2.260809  1870.170       82.32716 2040.350       
155.4728 1803.858       97.05042 98.24645 3.769283 92.55758 2.497506 5.688873 
4.521618 
1 1 1 14  25  3  o 63.19296 2.814225  891.6152       67.47884 727.1100       
118.8955 969.7825       81.95738 58.54396 4.837316 67.84196 2.877470 -9.298008 
5.628450 
1 1 1 14  25  4  o 72.62234 2.709116  1148.274       77.39130 1009.822       
130.7945 1222.862       96.00026 69.06400 4.510855 76.18069 3.001571 -7.116684 
5.418232 
1 1 1 14  25  5  o 81.58672 2.654737  1404.696       83.14213 1405.787       
152.3400 1404.233       99.22243 81.51836 4.451224 81.65509 2.894327 
-0.1367340     5.309475 
1 1 1 14  25  6  o 71.18430 2.683272  1035.542       75.99687 1174.276       
133.8297 969.5118       92.32742 74.54078 4.276415 67.82781 3.242231 6.712967 
5.366543 
1 1 1 14  25  7  o 27.25240 6.664685  150.5503       89.32212 88.11053       
171.2389 173.8902       104.6936 26.31158 10.43282 28.19321 8.296281 -1.881624 
13.32937 
1 1 1 14  25  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  25  9  o 93.22928 3.863501  1892.303       141.9322 1689.930       
240.0468 2001.081       175.9909 89.12065 6.415620 97.33791 4.306549 -8.217262 
7.727001 
1 1 1 14  25  10 o 90.39922 4.181206  1671.135       138.1752 1866.602       
280.8650 1608.721       158.7097 93.52252 7.153235 87.27592 4.331416 6.246597 
8.362412 
1 1 1 14  25  11 o 149.5513 4.247939  4680.545       238.7590 4906.386       
457.9661 4596.249       279.7919 151.6177 7.194562 147.4849 4.518650 4.132843 
8.495877 
1 1 1 14  25  12 o 42.23240 6.452799  397.2414       103.0357 376.0691       
194.5616 405.4935       121.4670 40.82490 11.07254 43.63989 6.629728 -2.814995 
12.90560 
1 1 1 14  25  13 o 146.3529 4.856487  4555.532       265.0859 4589.696       
509.4062 4542.844       310.4291 146.2119 8.298557 146.4939 5.047356 
-0.2820129     9.712974 
1 1 1 14  25  14 o 66.49391 4.528385  881.6273       118.2127 1111.145       
217.6590 785.6025       140.7861 72.12511 7.188051 60.86272 5.509719 11.26239 
9.056770 
1 1 1 14  25  15 o 117.9968 4.210953  2914.970       190.7245 3069.531       
353.5282 2851.518       226.5157 119.8848 7.023943 116.1089 4.646799 3.775909 
8.421906 
1 1 1 14  25  16 o 159.9611 4.843443  5561.337       311.0876 5110.121       
509.7860 5829.057       392.6768 154.2608 7.871426 165.6615 5.645921 -11.40065 
9.686887 
1 1 1 14  25  17 o 113.3218 4.051497  2760.033       189.9774 2520.405       
286.3925 2948.335       253.8745 108.7383 6.273360 117.9054 5.128689 -9.167160 
8.102993 
1 1 1 14  25  18 o 120.5310 4.189826  2976.094       194.6611 3396.009       
364.5069 2808.552       230.2430 125.9407 6.893833 115.1213 4.763781 10.81937 
8.379651 
1 1 1 14  25  19 o 30.57046 7.618537  188.8793       118.8488 139.8085       
208.7203 212.4237       144.5763 29.93132 11.60829 31.20959 9.869957 -1.278269 
15.23707 
1 1 1 14  25  20 o 114.9481 4.621455  2865.518       205.2682 2742.795       
366.6633 2921.537       247.7262 112.6523 7.752619 117.2439 5.032720 -4.591606 
9.242909 
1 1 1 14  25  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  25  22 o 93.74942 4.636217  1866.073       166.2213 1951.107       
309.0462 1831.461       197.1691 94.77566 7.766899 92.72318 5.064909 2.052475 
9.272433 
1 1 1 14  25  23 o 76.04515 3.601753  1201.106       103.2039 1308.610       
198.7938 1161.442       120.7512 78.05757 6.066090 74.03272 3.884979 4.024849 
7.203506 
1 1 1 14  25  24 o 85.45294 3.471677  1539.267       111.8089 1602.913       
212.9929 1515.057       131.3640 86.35265 5.875035 84.55322 3.700559 1.799431 
6.943355 
1 1 1 14  25  25 o 79.72612 3.540968  1345.411       104.1687 1392.161       
204.7631 1329.087       120.9959 80.28975 6.074529 79.16249 3.640593 1.127258 
7.081936 
1 1 1 14  25  26 o 56.05927 4.317730  675.9853       87.10730 692.4525       
176.8506 670.7106       100.0905 56.04245 7.516410 56.07608 4.251441 
-0.3362656E-01 8.635460 
1 1 1 14  25  27 o 51.51422 6.654279  763.2526       112.8512 366.8978       
227.9436 891.9462       129.8865 38.59599 12.41221 64.43245 4.801538 -25.83646 
13.30856 
1 1 1 14  25  28 o 37.71479 7.415062  325.2137       108.4933 394.9386       
223.8798 303.8138       124.0302 39.47168 12.24523 35.95791 8.365826 3.513763 
14.83012 
1 1 1 14  25  29 o 27.75401 7.478141  84.99572       107.8182 327.6636       
227.4609 14.67175       122.4482 36.01345 12.40342 19.49457 8.357360 16.51887 
14.95628 
1 1 1 14  25  30 o 33.64981 7.159386  295.2425       102.7322 195.4212       
230.4965 319.9873       114.7612 30.43169 12.09225 36.86792 7.668426 -6.436232 
14.31877 
1 1 1 14  25  31 o 25.75237 7.217527  131.4080       109.7599 33.00326       
232.1529 159.7370       124.5610 25.24086 11.15165 26.26387 9.165777 -1.023010 
14.43505 
1 1 1 14  25  32 o 23.68815 7.000504  86.95987       111.2707 -62.74657      
240.1024 127.9059       125.5688 23.05191 10.63017 24.32440 9.111957 -1.272488 
14.00101 
1 1 1 14  25  33 o 50.26843 7.073066  677.5953       125.4507 597.6321       
250.4939 704.3656       144.9367 44.90644 12.71232 55.63042 6.205646 -10.72398 
14.14613 
1 1 1 14  25  34 o 21.89146 6.818636  42.91318       113.1870 -9.557423      
223.7966 60.94781       131.2046 22.81931 10.41473 20.96362 8.803896 1.855696 
13.63727 
1 1 1 14  25  35 o 54.85492 6.534758  764.4367       127.3025 825.7633       
249.2751 742.7993       148.0667 53.23125 11.48125 56.47858 6.244457 -3.247337 
13.06952 
1 1 1 14  25  36 o 17.56064 5.945980  -94.26657      113.5175 -229.1954      
232.7561 -52.15574      130.0306 18.51382 9.044659 16.60745 7.720937 1.906372 
11.89196 
1 1 1 14  25  37 o 24.78928 6.980972  183.5801       117.9222 10.61840       
238.6002 239.4820       135.6466 21.59371 10.15350 27.98486 9.583437 -6.391144 
13.96194 
1 1 1 14  26  0  o 143.9669 2.725353  4366.957       134.3466 4445.754       
293.3286 4346.041       151.1298 144.3594 4.839833 143.5743 2.507231 0.7850800 
5.450706 
1 1 1 14  26  1  o 45.60177 3.582065  500.7749       52.89241 353.0772       
111.8834 543.2840       60.02325 40.45814 6.586895 50.74540 2.817370 -10.28726 
7.164130 
1 1 1 14  26  2  o 84.66626 2.411847  1516.626       78.19917 1511.275       
143.6898 1518.878       93.21175 84.44122 4.053148 84.89130 2.615342 
-0.4500809     4.823694 
1 1 1 14  26  3  o 53.15318 2.943956  601.6038       61.25890 590.7358       
107.7658 606.7919       74.45884 52.70387 4.870345 53.60248 3.308662 
-0.8986168     5.887911 
1 1 1 14  26  4  o 111.3973 2.376685  2613.528       108.5937 2651.604       
173.7085 2589.102       139.1325 111.9939 3.694432 110.8007 2.990937 1.193207 
4.753371 
1 1 1 14  26  5  o 105.2663 2.595900  2383.339       108.8741 2202.775       
181.9933 2483.974       135.8679 101.9883 4.250365 108.5443 2.981473 -6.556030 
5.191800 
1 1 1 14  26  6  o 108.7298 2.477060  2482.566       109.9707 2552.114       
178.6587 2440.142       139.5373 109.8811 3.872776 107.5785 3.089484 2.302559 
4.954120 
1 1 1 14  26  7  o 87.83513 3.395700  1621.459       105.4942 1663.147       
220.6086 1609.100       120.1182 88.32432 5.949264 87.34595 3.275572 0.9783707 
6.791399 
1 1 1 14  26  8  o 60.35316 5.395010  774.0571       136.7009 0.000000       
0.000000 774.0571       136.7009 ?        ?        60.35316 5.395010 ? ? 
1 1 1 14  26  9  o 56.35721 4.902194  699.2867       102.0473 637.6772       
193.6924 722.9586       120.0617 54.31595 8.493882 58.39846 4.896934 -4.082516 
9.804387 
1 1 1 14  26  10 o 109.5462 3.822546  2563.578       161.2459 2510.831       
291.9639 2586.728       193.4196 108.4714 6.411137 110.6210 4.164702 -2.149635 
7.645091 
1 1 1 14  26  11 o 146.1638 4.364817  4485.940       220.3110 4672.114       
477.6697 4435.635       248.2977 147.4458 7.716428 144.8819 4.082062 2.563919 
8.729633 
1 1 1 14  26  12 o 30.38746 7.046856  159.4161       91.27219 289.8430       
191.0165 120.8273       103.9007 36.21265 11.32628 24.56227 8.387377 11.65038 
14.09371 
1 1 1 14  26  13 o 38.98076 6.312877  425.4397       103.8114 67.52527       
209.4326 542.0228       119.5288 27.47126 11.29662 50.49026 5.638792 -23.01900 
12.62575 
1 1 1 14  26  14 o 40.22796 6.341512  336.8500       96.71019 437.6082       
182.3104 297.3939       114.0849 43.92103 10.09276 36.53488 7.680836 7.386150 
12.68302 
1 1 1 14  26  15 o 63.37542 5.055142  873.0587       122.5614 832.4619       
222.4810 890.7465       146.8538 62.01287 8.545395 64.73796 5.403153 -2.725090 
10.11028 
1 1 1 14  26  16 o 73.21768 4.997909  1137.783       133.6856 1176.327       
266.6117 1124.837       154.5138 73.64748 8.622681 72.78787 5.056259 0.8596115 
9.995818 
1 1 1 14  26  17 o 44.95440 6.491441  431.4929       110.5093 494.7857       
207.5552 406.4514       130.5529 46.42462 10.83587 43.48417 7.151159 2.940453 
12.98288 
1 1 1 14  26  18 o 51.29044 6.258387  630.6049       115.5095 477.2574       
210.5502 696.6295       138.1561 45.44296 11.11308 57.13792 5.759258 -11.69496 
12.51677 
1 1 1 14  26  19 o 98.87234 4.257428  2128.764       168.7138 1956.712       
277.5475 2229.599       212.4768 95.34366 6.933725 102.4010 4.942290 -7.057358 
8.514856 
1 1 1 14  26  20 o 42.94669 7.021768  457.3019       123.0463 279.9562       
216.6683 541.7258       149.4920 35.79749 12.11196 50.09588 7.107830 -14.29839 
14.04354 
1 1 1 14  26  21 o 60.70527 6.050858  820.7647       131.0655 808.4183       
254.2041 825.2352       152.9647 59.35004 10.58231 62.06050 5.870797 -2.710461 
12.10172 
1 1 1 14  26  22 o 35.89717 8.035540  282.5107       121.1185 292.9781       
258.1678 279.5567       137.1483 36.88746 13.16330 34.90688 9.219925 1.980579 
16.07108 
1 1 1 14  26  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  26  24 o 28.61741 7.690606  151.1958       117.0782 110.6171       
238.1308 164.1316       134.4505 29.43754 12.06547 27.79728 9.539712 1.640263 
15.38121 
1 1 1 14  26  25 o 40.76951 5.706383  370.1125       83.91241 386.8827       
167.6847 364.5100       96.92071 40.44027 9.934781 41.09875 5.617060 
-0.6584778     11.41277 
1 1 1 14  26  26 o 92.94342 3.174042  1848.822       110.2896 1852.311       
210.6803 1847.506       129.4433 92.58215 5.420230 93.30470 3.304433 
-0.7225571     6.348084 
1 1 1 14  26  27 o 29.21888 7.146240  198.5474       105.2390 73.54684       
217.9715 236.5427       120.1736 26.76696 11.29923 31.67080 8.752278 -4.903835 
14.29248 
1 1 1 14  26  28 o 55.50182 6.517648  829.1440       117.1735 536.4576       
234.6773 926.3405       135.2369 45.58863 12.06942 65.41501 4.924234 -19.82638 
13.03530 
1 1 1 14  26  29 o 24.05922 7.189825  49.20952       106.6062 138.0334       
224.3057 23.29115       121.1656 28.45835 11.69473 19.66009 8.367049 8.798265 
14.37965 
1 1 1 14  26  30 o 25.91204 7.433637  110.8709       110.3547 151.6099       
230.3861 98.74061       125.7151 28.70391 11.83342 23.12017 9.000330 5.583740 
14.86727 
1 1 1 14  26  31 o 49.17227 6.966626  692.6891       122.5382 429.4414       
238.3669 787.2472       142.8607 38.87897 12.70398 59.46556 5.722269 -20.58659 
13.93325 
1 1 1 14  26  32 o 32.54792 7.247026  241.8889       106.3477 415.4933       
191.2512 164.1819       127.9540 38.90688 11.13795 26.18895 9.274890 12.71793 
14.49405 
1 1 1 14  26  33 f 27.93088 7.267316  202.5312       115.2751 76.36335       
222.6328 248.7467       134.7438 25.06961 11.00962 30.79215 9.489144 -5.722542 
14.53463 
1 1 1 14  26  34 o 47.10313 6.946903  553.1163       120.0597 676.7550       
238.8643 511.3224       138.8772 47.83442 11.92276 46.37183 7.133417 1.462582 
13.89381 
1 1 1 14  26  35 o 35.65897 6.833374  406.7783       121.0590 152.7581       
237.2597 496.1880       140.7609 26.30100 11.45908 45.01693 7.447789 -18.71593 
13.66675 
1 1 1 14  26  36 o 22.65530 7.101812  86.08093       119.9917 134.2024       
240.2242 70.08328       138.5082 24.71924 11.10151 20.59136 8.859989 4.127880 
14.20362 
1 1 1 14  26  37 o 25.80214 7.382905  209.6170       120.0231 191.9420       
239.0435 215.5748       138.7854 25.16657 11.19376 26.43771 9.629581 -1.271139 
14.76581 
1 1 1 14  27  0  o 49.50217 3.006597  497.1317       56.88478 584.3164       
108.7520 464.2932       66.74342 52.20732 4.961659 46.79702 3.397123 5.410294 
6.013195 
1 1 1 14  27  1  o 18.30771 4.923327  33.21635       38.90704 108.7458       
104.5824 21.08385       41.91560 23.52500 8.379740 13.09043 5.170742 10.43457 
9.846655 
1 1 1 14  27  2  o 75.23568 2.283843  1138.505       63.85907 1324.432       
127.7141 1076.524       73.73889 79.01332 3.849990 71.45804 2.457913 7.555283 
4.567687 
1 1 1 14  27  3  o 58.83055 2.981891  681.1373       63.98704 846.8923       
133.4777 631.6796       72.91093 62.98756 5.047486 54.67354 3.176410 8.314018 
5.963782 
1 1 1 14  27  4  o 82.67113 2.963783  1385.318       83.19636 1563.421       
188.2889 1342.110       92.74062 85.57281 5.240950 79.76944 2.769201 5.803368 
5.927566 
1 1 1 14  27  5  o 60.05714 3.306716  724.3647       70.36102 847.9904       
151.3000 690.2512       79.47811 62.95526 5.724375 57.15902 3.311950 5.796238 
6.613432 
1 1 1 14  27  6  f 118.7695 3.139882  2954.063       136.6298 3076.142       
272.3044 2912.988       157.9516 120.0762 5.401555 117.4627 3.202911 2.613472 
6.279764 
1 1 1 14  27  7  o 55.18291 4.243383  627.2006       75.19272 690.7200       
181.6492 614.0659       82.60195 56.47375 7.661394 53.89207 3.650787 2.581688 
8.486766 
1 1 1 14  27  8  o 70.99458 5.672738  1075.804       169.0818 0.000000       
0.000000 1075.804       169.0818 ?        ?        70.99458 5.672738 ? ? 
1 1 1 14  27  9  o 93.11319 4.006593  1867.368       140.0141 1809.045       
263.6734 1890.272       165.2350 91.74781 6.845288 94.47856 4.165717 -2.730751 
8.013186 
1 1 1 14  27  10 o 82.81718 4.233588  1463.658       134.4457 1469.783       
246.5766 1461.067       160.3839 82.64333 7.106653 82.99103 4.603103 
-0.3477020     8.467176 
1 1 1 14  27  11 o 24.30510 6.638980  31.31937       92.31914 205.9013       
176.2556 -34.68412      108.3744 31.56973 10.91402 17.04048 7.562305 14.52925 
13.27796 
1 1 1 14  27  12 o 131.1409 4.501135  3527.627       205.3278 3964.781       
448.4335 3411.665       230.9609 135.3803 7.889760 126.9015 4.335039 8.478806 
9.002270 
1 1 1 14  27  13 o 113.1372 4.873250  2719.786       190.2582 2803.616       
411.1422 2696.943       214.6206 113.4982 8.628280 112.7762 4.532888 0.7219772 
9.746501 
1 1 1 14  27  14 o 99.73788 4.231956  2165.710       167.3150 1997.459       
282.0246 2257.090       207.8426 96.37807 6.969953 103.0977 4.801828 -6.719627 
8.463911 
1 1 1 14  27  15 o 42.81027 6.895671  414.9485       113.5962 395.5586       
213.6978 422.5855       134.1141 41.34088 11.75397 44.27967 7.214248 -2.938786 
13.79134 
1 1 1 14  27  16 o 91.84679 4.532473  1821.499       152.5915 1783.549       
298.6438 1834.906       177.5121 90.70839 7.842004 92.98520 4.547108 -2.276810 
9.064945 
1 1 1 14  27  17 o 66.06323 5.549592  1028.904       131.1388 778.1406       
245.8553 1128.620       155.0352 59.31513 9.872684 72.81133 5.071688 -13.49620 
11.09918 
1 1 1 14  27  18 o 117.1336 4.945042  2923.209       219.0296 3048.082       
414.4730 2874.824       257.9969 118.1671 8.354505 116.1001 5.293015 2.067039 
9.890083 
1 1 1 14  27  19 o 31.16719 7.174381  220.6212       109.1055 101.7394       
202.3916 269.3222       129.5399 27.96905 11.24944 34.36534 8.907138 -6.396286 
14.34876 
1 1 1 14  27  20 f 48.10841 6.908906  488.8553       116.7589 597.0295       
249.9955 458.6763       132.0452 50.15356 12.01297 46.06327 6.827929 4.090290 
13.81781 
1 1 1 14  27  21 o 96.67415 4.742003  2069.455       174.8848 1902.503       
315.2404 2143.682       210.1965 93.14780 8.061025 100.2005 4.996623 -7.052696 
9.484006 
1 1 1 14  27  22 o 59.29882 6.215784  825.7421       135.3015 694.9009       
238.8979 887.5298       164.1689 54.45411 10.83422 64.14352 6.096200 -9.689411 
12.43157 
1 1 1 14  27  23 o 98.27438 4.665784  2028.065       164.2879 2240.866       
341.8272 1964.144       187.3443 100.6635 8.088270 95.88525 4.653821 4.778259 
9.331568 
1 1 1 14  27  24 o 60.67116 5.999930  841.0287       128.9076 809.6887       
249.9741 852.3822       150.4560 58.54308 10.55611 62.79924 5.706586 -4.256157 
11.99986 
1 1 1 14  27  25 o 77.29051 7.888709  1333.243       255.9830 1333.243       
255.9830 0.000000       0.000000 77.29051 7.888709 ?        ?        ? ? 
1 1 1 14  27  26 o 33.42566 8.314474  232.0928       127.2849 341.2741       
265.9438 199.6506       144.9675 37.31023 13.35548 29.54110 9.907228 7.769135 
16.62895 
1 1 1 14  27  27 f 39.94447 7.236701  368.9533       108.1088 439.3401       
224.1310 347.6120       123.4146 41.27973 12.13607 38.60920 7.886387 2.670528 
14.47340 
1 1 1 14  27  28 o 77.97333 4.437114  1373.568       126.9189 1289.732       
243.6699 1404.780       148.6797 75.24602 7.713287 80.70064 4.388293 -5.454620 
8.874228 
1 1 1 14  27  29 o 36.26995 7.260522  294.5226       99.87223 421.1182       
216.8724 260.4494       112.5126 39.64014 12.00319 32.89977 8.172163 6.740376 
14.52104 
1 1 1 14  27  30 o 66.33922 5.163140  1043.120       123.5012 937.4745       
238.1169 1081.997       144.4489 62.37439 9.092953 70.30404 4.893900 -7.929649 
10.32628 
1 1 1 14  27  31 o 26.99361 7.188744  171.7514       109.2549 74.73663       
217.5414 204.4756       126.3447 25.36729 11.01134 28.61993 9.244597 -3.252642 
14.37749 
1 1 1 14  27  32 o 41.23710 7.385313  432.7368       117.0647 520.8535       
227.8672 401.1411       136.4478 42.28783 12.17442 40.18636 8.363903 2.101475 
14.77063 
1 1 1 14  27  33 o 38.69933 7.433054  428.1280       119.0860 377.3415       
231.4617 446.4110       138.8769 35.03051 12.46756 42.36814 8.096977 -7.337627 
14.86611 
1 1 1 14  27  34 o 26.26133 7.474175  161.6861       114.6138 187.7047       
233.8526 153.4603       131.4891 27.61605 11.68288 24.90662 9.325425 2.709427 
14.94835 
1 1 1 14  27  35 o 22.49422 7.025462  70.18771       117.1852 112.5330       
230.5930 55.44406       136.0650 24.68626 10.98672 20.30218 8.759023 4.384085 
14.05092 
1 1 1 14  27  36 o 23.05058 7.138894  106.2328       117.1657 194.7504       
232.4754 76.09293       135.6543 25.63895 11.25506 20.46220 8.785151 5.176758 
14.27779 
1 1 1 14  28  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  28  1  o 61.81947 2.951695  828.6861       68.97602 785.7742       
127.6392 846.3870       81.97678 60.43626 5.030459 63.20268 3.089416 -2.766426 
5.903390 
1 1 1 14  28  2  o 93.06631 2.871133  1764.292       97.51351 2011.286       
199.5349 1686.793       111.7698 96.84616 4.907469 89.28647 2.981672 7.559692 
5.742266 
1 1 1 14  28  3  o 32.01342 3.981147  210.4446       45.66628 254.8457       
92.98212 196.3302       52.42451 33.65402 6.818800 30.37282 4.111216 3.281199 
7.962295 
1 1 1 14  28  4  o 26.82973 4.146479  96.62437       47.82611 330.7389       
96.73373 20.88284       55.02130 39.18309 5.880311 14.47636 5.847658 24.70674 
8.292958 
1 1 1 14  28  5  o 46.67307 3.270884  476.3846       55.88695 438.8070       
107.9396 490.1479       65.32475 45.20336 5.687625 48.14277 3.231973 -2.939415 
6.541768 
1 1 1 14  28  6  o 14.93027 4.740445  -19.98679      52.91212 -49.85503      
112.0358 -11.41222      60.02856 16.73603 7.545382 13.12451 5.740598 3.611526 
9.480889 
1 1 1 14  28  7  o 35.47200 5.035748  355.5023       65.05487 125.8080       
127.9906 435.5139       75.54042 25.62459 9.255930 45.31940 3.970236 -19.69481 
10.07150 
1 1 1 14  28  8  o 72.10830 4.863718  1107.545       147.2423 0.000000       
0.000000 1107.545       147.2423 ?        ?        72.10830 4.863718 ? ? 
1 1 1 14  28  9  o 88.07478 3.929361  1646.824       128.9360 1684.909       
249.0235 1632.874       150.7104 88.39575 6.710115 87.75381 4.090706 0.6419449 
7.858722 
1 1 1 14  28  10 o 67.81761 4.673316  1062.666       112.7809 847.0228       
217.1448 1142.326       131.9781 62.26400 8.306795 73.37122 4.284471 -11.10722 
9.346632 
1 1 1 14  28  11 o 38.33901 6.494585  290.7215       92.10921 445.7589       
189.1474 242.5270       105.4583 43.89347 10.40856 32.78455 7.770485 11.10892 
12.98917 
1 1 1 14  28  12 o 46.67059 6.435763  575.7050       106.7216 313.7174       
204.1691 674.1984       125.1853 37.12727 11.72776 56.21391 5.304331 -19.08664 
12.87153 
1 1 1 14  28  13 o 97.94601 4.816385  2068.367       198.0501 2054.035       
280.3351 2082.648       279.8359 97.59574 6.841757 98.29630 6.780901 
-0.7005539     9.632770 
1 1 1 14  28  14 o 28.23574 7.336680  113.0244       104.0639 255.3708       
204.5923 63.34419       120.8670 34.38517 11.76959 22.08632 8.762657 12.29885 
14.67336 
1 1 1 14  28  15 o 74.70320 4.891504  1286.781       133.0272 1029.486       
247.7125 1391.056       157.6959 68.52338 8.610536 80.88301 4.643914 -12.35963 
9.783009 
1 1 1 14  28  16 o 32.04787 7.135761  232.3298       105.2269 186.1736       
184.9345 254.4273       127.9602 30.68684 11.12191 33.40890 8.943118 -2.722054 
14.27152 
1 1 1 14  28  17 o 72.09163 5.038375  1151.184       133.9856 1070.819       
255.6221 1181.627       157.3297 69.75365 8.728761 74.42962 5.034842 -4.675972 
10.07675 
1 1 1 14  28  18 o 100.8709 4.407603  2145.133       175.6253 2327.675       
310.5587 2059.308       212.9466 103.5623 7.142711 98.17959 5.166193 5.382721 
8.815207 
1 1 1 14  28  19 o 51.59868 5.852284  545.9966       109.3025 701.3199       
221.2979 495.8786       125.7059 55.24363 9.900046 47.95374 6.243878 7.289894 
11.70457 
1 1 1 14  28  20 o 57.22846 6.272753  715.7914       127.3131 780.7389       
255.1787 694.2669       146.9026 57.74349 10.92357 56.71343 6.169708 1.030056 
12.54551 
1 1 1 14  28  21 o 63.50076 5.366274  918.9318       128.0228 803.0759       
232.4206 969.3937       153.3903 59.83648 9.251874 67.16505 5.439707 -7.328564 
10.73255 
1 1 1 14  28  22 o 47.23652 6.995960  558.9706       127.2307 402.3627       
225.1587 632.4336       154.2112 40.66518 12.21369 53.80785 6.826396 -13.14267 
13.99192 
1 1 1 14  28  23 o 25.38821 7.258692  85.42979       109.1436 112.9768       
209.7452 75.20092       127.8111 28.04132 11.38010 22.73510 9.013758 5.306229 
14.51738 
1 1 1 14  28  24 o 51.52005 6.698823  665.1917       122.9078 515.7907       
231.8051 723.6193       144.9625 45.40611 11.98353 57.63398 5.990982 -12.22787 
13.39765 
1 1 1 14  28  25 o 35.23107 7.450537  303.1515       112.2567 271.7898       
219.2549 314.2932       130.6845 33.99127 12.13067 36.47087 8.653829 -2.479603 
14.90107 
1 1 1 14  28  26 o 36.27101 8.611941  299.4754       143.1876 435.6113       
269.0195 245.6636       169.1360 40.52598 13.49612 32.01604 10.70126 8.509937 
17.22388 
1 1 1 14  28  27 o 38.73284 13.86261  404.2953       286.5143 404.2953       
286.5143 0.000000       0.000000 38.73284 13.86261 ?        ?        ? ? 
1 1 1 14  28  28 o 23.81909 7.570614  -0.8782008     148.4697 -117.1681      
287.4542 41.43158       173.3876 24.52636 11.43227 23.11183 9.927743 1.414528 
15.14123 
1 1 1 14  28  29 o 17.96995 5.983165  -92.97636      104.5596 -177.7568      
206.0027 -63.55575      121.3531 19.41359 9.246940 16.52630 7.595207 2.887283 
11.96633 
1 1 1 14  28  30 f 28.92946 7.398301  201.4342       107.2787 199.3005       
212.0387 202.1683       124.3712 29.31996 11.61450 28.53896 9.167484 0.7810001 
14.79660 
1 1 1 14  28  31 o 32.90670 7.332190  303.9310       115.8987 194.1961       
219.0268 346.6062       136.5882 28.83660 11.65943 36.97679 8.893920 -8.140190 
14.66438 
1 1 1 14  28  32 o 22.25886 6.771320  62.78519       110.6324 -58.23500      
221.4980 103.0121       127.7025 21.79321 10.11071 22.72451 9.009811 
-0.9312935     13.54264 
1 1 1 14  28  33 o 58.90861 6.188433  894.7534       128.6164 822.9625       
241.3089 923.2408       152.0075 54.17925 10.99168 63.63797 5.689445 -9.458717 
12.37687 
1 1 1 14  28  34 o 32.78069 7.757507  244.7222       116.5040 564.5266       
233.0873 138.2175       134.5119 41.63854 12.41090 23.92283 9.310493 17.71571 
15.51501 
1 1 1 14  28  35 o 49.28458 7.040636  680.8528       125.3207 738.8436       
246.9601 660.7406       145.4377 46.55828 12.40647 52.01089 6.660454 -5.452614 
14.08127 
1 1 1 14  28  36 o 23.59598 6.900043  145.5159       103.0950 191.0350       
195.8637 128.0715       121.2509 25.03683 10.64613 22.15513 8.780786 2.881702 
13.80009 
1 1 1 14  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  29  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  29  2  o 49.77773 3.226582  480.7537       62.32144 674.5251       
118.9935 407.5114       73.15759 55.88417 5.071724 43.67129 3.990106 12.21288 
6.453164 
1 1 1 14  29  3  o 56.13976 3.510513  695.7535       74.83118 635.6519       
135.8346 721.9416       89.66418 54.03778 5.987339 58.24173 3.666957 -4.203945 
7.021026 
1 1 1 14  29  4  o 27.90236 5.762848  165.2666       66.91360 216.1823       
123.6514 144.1820       79.57115 30.56948 9.022761 25.23524 7.171573 5.334240 
11.52570 
1 1 1 14  29  5  o 40.63716 3.293682  324.4741       51.01143 424.2894       
99.86279 289.2337       59.33696 44.39500 5.357852 36.87932 3.832335 7.515675 
6.587365 
1 1 1 14  29  6  o 104.3376 2.498999  2210.946       95.14857 2510.257       
194.6596 2116.986       109.0654 108.5321 4.272072 100.1430 2.594105 8.389107 
4.997998 
1 1 1 14  29  7  o 90.30321 2.777669  1721.080       87.74200 1753.759       
185.9879 1711.725       99.51164 90.55137 4.892273 90.05504 2.632006 0.4963303 
5.555339 
1 1 1 14  29  8  o 101.8999 4.093364  2207.288       175.1190 0.000000       
0.000000 2207.288       175.1190 ?        ?        101.8999 4.093364 ? ? 
1 1 1 14  29  9  o 75.57097 3.829714  1273.796       111.4332 1091.447       
193.8709 1363.761       136.1753 71.01837 6.502241 80.12356 4.048173 -9.105186 
7.659428 
1 1 1 14  29  10 o 26.98414 5.822797  173.7730       81.81942 -37.54873      
162.4191 245.6367       94.71521 20.93386 9.278049 33.03443 7.038300 -12.10057 
11.64559 
1 1 1 14  29  11 o 57.45883 4.363533  629.2095       94.27900 908.1250       
191.6017 540.1042       108.2966 64.65493 7.058603 50.26273 5.132038 14.39220 
8.727067 
1 1 1 14  29  12 o 64.03770 4.395470  829.1885       106.5756 1014.052       
208.4254 763.7408       124.0145 68.26141 7.272712 59.81400 4.938449 8.447411 
8.790939 
1 1 1 14  29  13 o 140.2084 4.274704  4276.973       232.9524 4104.607       
411.8291 4358.072       282.4886 137.4249 7.137934 142.9918 4.705555 -5.566879 
8.549407 
1 1 1 14  29  14 o 143.7943 5.117415  4618.885       281.8061 4185.008       
502.0135 4818.513       340.5193 137.6084 8.689436 149.9801 5.407906 -12.37172 
10.23483 
1 1 1 14  29  15 o 31.51087 7.043447  191.5822       104.0416 341.0217       
176.5379 112.0566       128.7831 38.16691 10.62944 24.85483 9.244217 13.31208 
14.08689 
1 1 1 14  29  16 o 52.46882 5.553520  622.9747       112.0505 572.6598       
188.3081 650.5552       139.4187 49.99538 9.318505 54.94226 6.044155 -4.946877 
11.10704 
1 1 1 14  29  17 o 38.07404 6.789136  348.9005       106.2350 281.3686       
182.3161 383.6176       130.7203 34.94335 11.08691 41.20472 7.839001 -6.261375 
13.57827 
1 1 1 14  29  18 o 94.66718 4.554266  1941.579       161.7906 1944.156       
306.5638 1940.585       190.4771 94.03193 7.765450 95.30243 4.760581 -1.270500 
9.108532 
1 1 1 14  29  19 o 41.40287 6.641292  403.7858       107.0406 359.4565       
196.3254 422.5376       127.6887 38.80383 11.34247 44.00190 6.911975 -5.198074 
13.28258 
1 1 1 14  29  20 o 24.87017 7.201550  3.462072       113.0835 214.3183       
215.9072 -76.24713      132.7480 32.21655 11.97200 17.52378 8.007526 14.69277 
14.40310 
1 1 1 14  29  21 f 93.66929 4.252404  1953.483       156.4343 1754.690       
265.7512 2058.892       193.5139 89.32518 7.086348 98.01340 4.702704 -8.688217 
8.504807 
1 1 1 14  29  22 o 37.88001 6.906312  363.7264       108.5960 255.9212       
197.7393 410.2832       129.9464 33.32482 11.55626 42.43520 7.565804 -9.110382 
13.81262 
1 1 1 14  29  23 o 20.28556 6.455055  -48.10477      106.3407 0.2324649      
191.9296 -69.51656      127.7402 23.38066 10.24537 17.19047 7.855143 6.190184 
12.91011 
1 1 1 14  29  24 o 30.44805 7.143601  34.94075       112.3881 514.5515       
233.8987 -109.0316      128.1513 44.80426 12.13528 16.09184 7.540503 28.71243 
14.28720 
1 1 1 14  29  25 o 22.54405 6.752140  47.61290       106.5023 -39.55074      
200.2921 81.97271       125.7539 22.47923 10.11419 22.60887 8.948110 
-0.1296387     13.50428 
1 1 1 14  29  26 o 32.08923 7.927621  258.5666       143.4457 14.55388       
276.0350 348.8415       167.8965 26.92191 12.00005 37.25655 10.36280 -10.33464 
15.85524 
1 1 1 14  29  27 f 52.95324 8.314962  725.7133       158.1836 735.1836       
330.5693 722.9008       180.1477 49.79291 14.76754 56.11358 7.646837 -6.320671 
16.62992 
1 1 1 14  29  28 o 28.98853 10.75136  198.0181       173.9547 0.000000       
0.000000 198.0181       173.9547 ?        ?        28.98853 10.75136 ? ? 
1 1 1 14  29  29 o 34.86325 13.66836  342.1149       290.9982 342.1149       
290.9982 0.000000       0.000000 34.86325 13.66836 ?        ?        ? ? 
1 1 1 14  29  30 o 44.86899 8.889726  564.7213       164.5118 662.1245       
300.5388 523.0495       196.5780 45.61540 14.19496 44.12258 10.70570 1.492825 
17.77945 
1 1 1 14  29  31 o 34.82705 6.981011  357.8277       112.8775 186.5090       
216.7116 421.6110       132.2309 28.19285 11.52512 41.46125 7.880978 -13.26839 
13.96202 
1 1 1 14  29  32 o 25.03181 7.031188  143.8930       110.4500 29.90396       
219.8681 182.3674       127.7371 23.41393 10.56238 26.64969 9.283667 -3.235758 
14.06238 
1 1 1 14  29  33 o 25.76224 7.450276  141.9724       113.6835 232.8599       
228.0938 111.9331       131.1314 28.75189 11.80047 22.77260 9.098100 5.979292 
14.90055 
1 1 1 14  29  34 o 25.44948 7.436681  153.4896       115.8092 240.0453       
230.2514 124.1778       133.9911 27.98352 11.70267 22.91545 9.179561 5.068077 
14.87336 
1 1 1 14  29  35 o 18.10939 6.095073  -56.95584      116.9360 -132.3734      
231.0650 -30.99059      135.5795 19.13805 9.267641 17.08074 7.918996 2.057310 
12.19015 
1 1 1 14  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  30  2  o 53.98114 3.251266  632.9148       64.76311 622.0233       
125.4241 636.8744       75.62464 53.28985 5.606056 54.67242 3.294701 -1.382572 
6.502532 
1 1 1 14  30  3  o 48.62471 3.672764  529.8842       66.42686 475.7103       
123.7958 551.7888       78.71911 46.42044 6.352106 50.82898 3.688840 -4.408546 
7.345529 
1 1 1 14  30  4  o 19.42576 5.479269  30.97398       65.47868 109.1192       
113.8759 -7.624423      80.03229 23.59452 8.709216 15.25700 6.651249 8.337516 
10.95854 
1 1 1 14  30  5  o 30.72637 5.721422  219.5816       72.23843 216.2830       
124.5137 221.2552       88.69057 30.38345 9.073946 31.06929 6.971527 
-0.6858330     11.44284 
1 1 1 14  30  6  o 61.49242 3.758472  802.4177       86.97438 851.4390       
166.5380 784.0331       101.9877 62.37878 6.359129 60.60606 4.008232 1.772717 
7.516944 
1 1 1 14  30  7  o 75.86307 2.634324  1199.021       75.07549 1282.953       
144.7655 1168.143       87.80586 77.41994 4.453828 74.30620 2.814618 3.113747 
5.268649 
1 1 1 14  30  8  o 74.82272 3.867397  1273.173       109.7673 1042.832       
192.8720 1383.521       133.4955 69.05272 6.652877 80.59274 3.945408 -11.54002 
7.734793 
1 1 1 14  30  9  o 73.23579 3.783131  1170.208       111.5216 1098.738       
182.7487 1212.616       140.7723 71.14433 6.118359 75.32726 4.451292 -4.182930 
7.566262 
1 1 1 14  30  10 o 74.84518 3.678647  1175.992       106.1363 1275.842       
196.3713 1134.785       126.1497 76.71040 6.097402 72.97995 4.117217 3.730453 
7.357294 
1 1 1 14  30  11 o 41.57993 5.503565  373.2987       88.44912 433.7827       
157.4229 345.3967       106.9214 43.29329 8.963711 39.86658 6.388177 3.426712 
11.00713 
1 1 1 14  30  12 o 42.65494 5.803735  383.3156       95.07324 524.0255       
170.4368 319.7533       114.5514 47.76973 8.830544 37.54015 7.533580 10.22958 
11.60747 
1 1 1 14  30  13 o 44.21485 5.748805  445.2213       95.18037 427.7007       
172.9624 452.8316       113.9925 42.66323 9.848782 45.76647 5.932668 -3.103245 
11.49761 
1 1 1 14  30  14 o 101.1906 4.028295  2199.632       159.5249 2235.006       
282.6508 2183.097       193.2442 101.2924 6.646520 101.0887 4.553285 0.2037048 
8.056589 
1 1 1 14  30  15 o 26.67361 6.778439  146.1135       92.78866 99.10602       
174.8208 164.5497       109.4826 26.19604 10.48880 27.15118 8.589185 
-0.9551373     13.55688 
1 1 1 14  30  16 o 30.61734 7.199067  206.1386       103.5237 217.5191       
183.3789 200.8150       125.4210 31.56193 11.11091 29.67275 9.157178 1.889179 
14.39813 
1 1 1 14  30  17 o 29.66819 7.343343  187.2461       107.9347 193.4411       
190.5534 184.3196       130.9711 30.61194 11.27041 28.72445 9.416826 1.887491 
14.68669 
1 1 1 14  30  18 o 61.48350 5.759369  898.0914       130.5921 721.3580       
224.7283 988.2020       160.4673 55.37703 10.03511 67.58997 5.654905 -12.21294 
11.51874 
1 1 1 14  30  19 o 29.05839 7.265527  108.7607       113.0982 352.8883       
202.8476 -1.363793      136.2396 38.03375 11.62699 20.08304 8.715766 17.95071 
14.53105 
1 1 1 14  30  20 o 21.26721 6.745083  -43.13181      113.8140 7.707004       
209.1360 -64.52417      135.6627 24.56148 10.72927 17.97293 8.177250 6.588543 
13.49017 
1 1 1 14  30  21 o 51.19592 5.744058  589.4773       112.2433 622.2990       
198.5049 574.0513       136.0876 51.24448 9.581921 51.14737 6.337475 
0.9711838E-01  11.48812 
1 1 1 14  30  22 o 21.46453 6.617174  7.546406       105.6341 10.38600       
186.6622 6.208563       128.1242 23.28218 10.15371 19.64688 8.488229 3.635307 
13.23435 
1 1 1 14  30  23 o 31.42148 7.664290  220.7847       111.1381 256.9252       
223.5740 208.9230       128.0844 33.13278 12.20701 29.71017 9.271147 3.422607 
15.32858 
1 1 1 14  30  24 o 34.07987 7.170916  300.2890       111.2057 199.9785       
202.4961 343.6060       133.0678 30.23499 11.50719 37.92475 8.559954 -7.689766 
14.34183 
1 1 1 14  30  25 o 62.32307 5.287054  856.1829       124.5882 952.7542       
237.7996 819.6455       146.2703 63.65189 8.898582 60.99424 5.712003 2.657658 
10.57411 
1 1 1 14  30  26 o 31.00962 8.491085  188.0410       144.1944 350.7881       
273.4625 125.3653       169.7034 36.07657 13.46017 25.94267 10.35461 10.13390 
16.98217 
1 1 1 14  30  27 o 49.54185 8.549287  609.1494       164.5231 857.2228       
306.3691 508.6193       195.0306 54.84667 13.40081 44.23703 10.61977 10.60964 
17.09857 
1 1 1 14  30  28 o 26.18407 7.840544  106.5123       150.6241 -68.46133      
284.7592 174.4870       177.4864 24.66641 11.45149 27.70173 10.71260 -3.035313 
15.68109 
1 1 1 14  30  29 o 42.73228 8.683245  532.7016       157.9147 513.5790       
300.9942 539.9642       185.4935 39.92027 14.21647 45.54429 9.974316 -5.624016 
17.36649 
1 1 1 14  30  30 o 34.86228 10.71443  336.6290       171.9449 0.000000       
0.000000 336.6290       171.9449 ?        ?        34.86228 10.71443 ? ? 
1 1 1 14  30  31 o 33.61459 13.61304  365.9905       299.2444 365.9905       
299.2444 0.000000       0.000000 33.61459 13.61304 ?        ?        ? ? 
1 1 1 14  30  32 o 23.14515 7.446512  30.86338       142.5761 74.50973       
277.6730 15.23588       166.1516 25.60058 11.66134 20.68972 9.263656 4.910858 
14.89302 
1 1 1 14  30  33 o 28.53711 7.734294  212.0961       114.8329 346.1959       
234.8400 169.9564       131.6449 31.81016 12.31813 25.26406 9.356334 6.546097 
15.46859 
1 1 1 14  30  34 o 34.98142 6.969832  427.3767       121.4952 208.9033       
232.6539 509.2962       142.4639 26.18862 11.37792 43.77422 8.053395 -17.58560 
13.93966 
1 1 1 14  30  35 o 39.96160 7.777107  475.1103       120.6663 682.4101       
245.4272 409.0258       138.5713 42.18209 12.76818 37.74111 8.882970 4.440975 
15.55421 
1 1 1 14  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  31  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  31  3  o 27.80971 5.367064  173.6747       58.73022 201.8573       
115.5408 163.8561       68.19771 28.96226 8.759427 26.65715 6.204350 2.305113 
10.73413 
1 1 1 14  31  4  o 74.72002 3.252095  1139.327       87.23889 1346.142       
183.9104 1079.280       99.09756 78.30685 5.594065 71.13319 3.318270 7.173668 
6.504190 
1 1 1 14  31  5  o 32.03077 5.473078  250.1379       69.02847 196.6912       
132.6335 269.9926       80.83952 28.91622 9.476402 35.14531 5.478698 -6.229090 
10.94616 
1 1 1 14  31  6  o 49.47486 4.318614  524.5560       81.90408 574.3082       
152.9093 504.5385       96.99132 50.63498 7.192905 48.31474 4.781611 2.320232 
8.637227 
1 1 1 14  31  7  o 20.53366 5.790467  52.25215       80.16615 -77.93108      
144.7505 109.8476       96.28014 18.15470 8.323255 22.91262 8.052419 -4.757919 
11.58093 
1 1 1 14  31  8  o 17.45622 5.333581  2.397929       70.54590 -27.65308      
116.6371 19.73272       88.58625 17.60320 7.824686 17.30924 7.250011 0.2939644 
10.66716 
1 1 1 14  31  9  o 69.19080 3.975947  1071.641       106.8454 953.0247       
184.6769 1131.322       130.9950 65.72697 6.692523 72.65461 4.294501 -6.927635 
7.951893 
1 1 1 14  31  10 o 24.71256 6.249187  127.1586       85.77935 9.415205       
158.5951 175.8466       101.9840 21.78906 9.429144 27.63606 8.203695 -5.847000 
12.49837 
1 1 1 14  31  11 o 34.68956 6.081521  311.6650       89.96842 153.6558       
167.4453 375.7946       106.6746 27.89806 10.50807 41.48106 6.125370 -13.58300 
12.16304 
1 1 1 14  31  12 o 25.09651 6.485803  124.1647       84.54088 122.6885       
153.5850 124.8065       101.2626 26.00271 9.985023 24.19031 8.280210 1.812397 
12.97161 
1 1 1 14  31  13 o 20.72135 6.004257  29.36224       90.83141 -136.8591      
159.9217 108.5204       110.3600 17.90435 8.395865 23.53836 8.585678 -5.634010 
12.00851 
1 1 1 14  31  14 o 41.62663 6.163372  415.4812       99.48254 352.3535       
174.1648 446.0519       121.2001 38.12026 10.53735 45.13300 6.396315 -7.012741 
12.32674 
1 1 1 14  31  15 o 75.65981 4.138002  1214.173       126.7734 1364.527       
213.8702 1132.727       157.4081 78.88940 6.457325 72.43022 5.176407 6.459183 
8.276004 
1 1 1 14  31  16 o 23.30657 6.826580  56.70397       103.0047 79.61899       
181.8352 45.87622       124.9934 25.47648 10.50957 21.13665 8.715373 4.339830 
13.65316 
1 1 1 14  31  17 o 39.35284 6.846741  319.0269       103.6831 526.2795       
201.3152 244.2055       120.9593 46.51120 10.54990 32.19447 8.729899 14.31674 
13.69348 
1 1 1 14  31  18 o 51.22991 5.331906  601.2622       104.0112 568.3365       
179.0313 618.0374       127.7893 49.19413 9.003493 53.26569 5.714368 -4.071556 
10.66381 
1 1 1 14  31  19 o 38.41477 6.764059  366.2024       108.3670 297.1257       
174.3194 409.7124       138.3487 34.86119 10.80322 41.96835 8.142502 -7.107155 
13.52812 
1 1 1 14  31  20 o 81.59218 4.185293  1452.089       136.2554 1481.172       
232.3179 1436.839       168.2278 81.67888 6.774763 81.50549 4.916227 0.1733932 
8.370585 
1 1 1 14  31  21 o 45.44153 6.739734  476.8328       122.3822 623.8616       
199.1664 387.6419       155.1227 50.87001 9.674508 40.01306 9.386157 10.85695 
13.47947 
1 1 1 14  31  22 o 80.41717 4.387065  1398.126       139.2341 1530.140       
246.5232 1336.290       168.7209 82.48598 7.118667 78.34835 5.129323 4.137634 
8.774131 
1 1 1 14  31  23 o 43.52980 6.580365  530.4851       112.9025 272.6419       
204.4271 643.6508       135.4309 33.11457 11.72377 53.94503 5.979810 -20.83046 
13.16073 
1 1 1 14  31  24 o 32.72527 7.717187  191.2960       113.3801 477.6808       
234.3000 103.7279       129.5599 41.89338 12.43425 23.55715 9.143809 18.33623 
15.43437 
1 1 1 14  31  25 f 56.49171 7.308681  925.0040       150.6309 492.0363       
260.4326 1142.657       184.6505 41.49709 13.25951 71.48634 6.152455 -29.98925 
14.61736 
1 1 1 14  31  26 o 44.47239 8.268288  480.6048       142.5454 700.5909       
278.5268 402.5381       165.9213 49.36592 13.18505 39.57885 9.980622 9.787079 
16.53658 
1 1 1 14  31  27 o 81.79234 5.514234  1616.903       174.0300 1435.479       
299.7618 1709.141       213.7392 76.27427 9.360936 87.31040 5.830948 -11.03613 
11.02847 
1 1 1 14  31  28 o 22.60881 7.243424  -48.92577      131.9900 148.2629       
252.1900 -123.3176      154.8993 28.06152 12.01070 17.15610 8.100114 10.90542 
14.48685 
1 1 1 14  31  29 o 50.67464 7.117699  598.3076       134.7912 914.1627       
259.3607 481.4287       157.7713 57.85783 11.07220 43.49144 8.947227 14.36639 
14.23540 
1 1 1 14  31  30 o 39.11192 7.220124  483.2849       138.5220 183.9923       
257.4229 605.2719       164.3448 28.30521 12.12548 49.91862 7.841777 -21.61341 
14.44025 
1 1 1 14  31  31 o 35.24382 8.227374  249.0800       128.7300 734.8382       
278.7416 117.3887       145.1344 47.01735 13.44208 23.47030 9.490479 23.54705 
16.45475 
1 1 1 14  31  32 o 16.52365 7.760367  -79.35285      138.5550 0.000000       
0.000000 -79.35285      138.5550 ?        ?        16.52365 7.760367 ? ? 
1 1 1 14  31  33 o 20.50758 6.842538  -42.78658      110.7772 191.1490       
265.1521 -92.25343      121.9281 26.11113 11.69647 14.90404 7.104500 11.20709 
13.68508 
1 1 1 14  31  34 o 17.78230 6.037068  -81.96092      122.7411 -165.4542      
232.9063 -49.85628      144.4240 18.60661 9.081463 16.95798 7.956871 1.648623 
12.07414 
1 1 1 14  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  32  3  o 24.93995 5.534214  132.0953       55.55561 178.7279       
121.9456 119.8817       62.40827 27.18951 9.086569 22.69038 6.320158 4.499134 
11.06843 
1 1 1 14  32  4  o 43.53848 3.934680  386.9615       66.76424 511.8400       
125.3676 337.5244       78.88025 47.76167 6.252116 39.31528 4.778900 8.446388 
7.869360 
1 1 1 14  32  5  o 22.80098 6.000881  66.33415       70.95743 203.7472       
141.1163 19.83406       82.09001 29.01911 9.774748 16.58284 6.963948 12.43627 
12.00176 
1 1 1 14  32  6  o 55.13181 4.012839  652.8872       82.27712 709.8958       
160.9657 632.7246       95.72746 56.11692 6.832201 54.14670 4.211004 1.970219 
8.025679 
1 1 1 14  32  7  o 28.36811 5.825465  206.4497       75.59389 96.87418       
143.9279 248.1916       88.83300 23.94568 9.542665 32.79054 6.684436 -8.844854 
11.65093 
1 1 1 14  32  8  o 31.44084 5.765771  259.1014       75.78812 131.7464       
157.3460 297.5737       86.48106 26.05412 10.08421 36.82756 5.593313 -10.77344 
11.53154 
1 1 1 14  32  9  o 18.10985 5.503028  8.887577       73.03853 22.02082       
120.1294 1.185573       91.99523 19.58808 8.333646 16.63161 7.189133 2.956467 
11.00606 
1 1 1 14  32  10 o 23.33523 5.886653  72.46371       76.34279 215.5018       
128.8390 -4.932749      94.77243 30.05020 9.282627 16.62026 7.241794 13.42994 
11.77331 
1 1 1 14  32  11 o 47.27484 5.660441  564.8998       91.15321 417.2520       
177.0692 618.1354       106.3238 41.06840 10.28295 53.48129 4.735323 -12.41288 
11.32088 
1 1 1 14  32  12 o 55.95603 4.589869  616.2366       95.90279 874.0396       
196.4787 535.6047       109.8815 62.28693 7.513455 49.62513 5.274049 12.66180 
9.179739 
1 1 1 14  32  13 o 66.94872 4.369262  1019.822       112.3769 896.4133       
196.8405 1079.493       136.8751 63.14646 7.424828 70.75098 4.608007 -7.604523 
8.738523 
1 1 1 14  32  14 o 61.14808 4.572678  864.2303       108.6103 710.9299       
182.3295 948.5449       135.2186 56.07424 7.744880 66.22191 4.863575 -10.14767 
9.145356 
1 1 1 14  32  15 o 44.04322 6.246318  436.7870       104.4466 528.7499       
190.7411 397.4030       124.8240 46.54656 10.04644 41.53988 7.425293 5.006687 
12.49264 
1 1 1 14  32  16 o 21.05219 6.423535  21.95332       98.57387 -30.45477      
180.7470 44.13982       117.6024 21.67082 9.683497 20.43356 8.442577 1.237261 
12.84707 
1 1 1 14  32  17 o 76.48207 4.305656  1273.332       128.4890 1331.301       
229.9838 1247.027       154.9221 77.07851 7.106980 75.88564 4.862669 1.192871 
8.611313 
1 1 1 14  32  18 o 34.99702 7.120255  309.8566       107.6722 256.0231       
196.5844 332.9272       128.6922 32.57346 11.50026 37.42059 8.398577 -4.847122 
14.24051 
1 1 1 14  32  19 o 46.64798 6.752256  546.5401       113.3871 473.0537       
223.8620 571.8984       131.5034 42.45583 12.01723 50.84012 6.161003 -8.384285 
13.50451 
1 1 1 14  32  20 o 59.90657 5.157156  812.3670       117.0885 811.5397       
216.7128 812.7081       139.1464 58.91428 8.761633 60.89886 5.442317 -1.984589 
10.31431 
1 1 1 14  32  21 o 22.30098 6.419489  37.66217       108.0355 -180.9358      
182.0303 156.5346       134.2336 18.12759 8.650493 26.47438 9.487273 -8.346790 
12.83898 
1 1 1 14  32  22 o 42.70125 6.496882  512.7202       116.8774 215.6329       
195.2363 678.6577       145.9119 30.30486 11.35999 55.09764 6.307814 -24.79279 
12.99376 
1 1 1 14  32  23 o 44.16519 6.630907  543.8160       118.9169 285.1090       
200.7673 683.6308       147.5929 33.16233 11.63052 55.16805 6.372340 -22.00572 
13.26181 
1 1 1 14  32  24 o 26.32532 7.246634  125.4435       104.5860 222.1343       
201.3091 89.69736       122.4012 30.26976 11.48713 22.38089 8.837451 7.888868 
14.49327 
1 1 1 14  32  25 o 30.81408 7.282730  253.8828       123.6032 48.62077       
224.2852 343.4144       148.1271 24.98179 11.00893 36.64637 9.537096 -11.66458 
14.56546 
1 1 1 14  32  26 o 42.59911 8.309543  491.6190       139.9861 549.5811       
285.0014 473.1891       160.7078 41.87918 13.89122 43.31903 9.122937 -1.439846 
16.61909 
1 1 1 14  32  27 o 28.15589 7.915668  166.3867       126.3245 276.1752       
244.9112 126.5901       147.4529 31.74426 12.51156 24.56751 9.700110 7.176756 
15.83134 
1 1 1 14  32  28 o 21.26367 6.820447  -4.171100      126.9110 -128.9386      
243.8845 42.16054       148.6183 21.39852 10.13010 21.12883 9.135378 0.2696934 
13.64089 
1 1 1 14  32  29 o 29.26661 7.427497  5.302057       129.9833 596.4412       
252.0081 -208.9689      151.7230 43.41407 12.89761 15.11915 7.370373 28.29493 
14.85499 
1 1 1 14  32  30 o 31.12243 7.829526  120.6877       122.4334 648.8333       
266.1718 -21.04556      137.8863 44.01945 13.29134 18.22542 8.279256 25.79403 
15.65905 
1 1 1 14  32  31 o 24.64590 7.562679  87.80634       123.0930 280.2762       
257.8956 31.02317       140.0788 29.58533 12.37975 19.70646 8.690129 9.878870 
15.12536 
1 1 1 14  32  32 o 27.53497 7.969354  208.8630       127.2455 364.6714       
268.4116 163.6954       144.5170 30.61666 12.70856 24.45329 9.619507 6.163372 
15.93871 
1 1 1 14  32  33 o 19.19938 6.566526  -91.71423      128.2997 79.82001       
266.4471 -143.4916      146.3881 23.21761 10.87838 15.18116 7.357846 8.036442 
13.13305 
1 1 1 14  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  33  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  33  4  o 25.90457 5.094077  180.6600       61.42377 33.45739       
134.4024 219.5218       69.05741 20.36053 8.743114 31.44862 5.230338 -11.08809 
10.18815 
1 1 1 14  33  5  o 44.74824 4.869723  496.0311       76.96654 390.8834       
140.8555 540.7897       91.89925 39.68869 8.691540 49.80780 4.394765 -10.11911 
9.739447 
1 1 1 14  33  6  f 24.85189 6.072867  140.3348       71.95876 139.0283       
138.8407 140.8146       84.14172 25.30207 9.557978 24.40171 7.494259 0.9003563 
12.14573 
1 1 1 14  33  7  o 29.98558 6.232150  208.6195       74.77824 245.3306       
155.3238 197.5434       85.31634 31.11418 10.25501 28.85699 7.084747 2.257187 
12.46430 
1 1 1 14  33  8  o 37.62260 6.497813  315.7289       87.25942 425.4947       
191.0914 286.8109       98.08253 40.19455 11.00543 35.05064 6.911359 5.143906 
12.99563 
1 1 1 14  33  9  o 23.40240 7.255591  20.40714       135.7236 -7.979452      
180.2540 57.57014       206.2452 21.86541 9.723026 24.93939 10.77206 -3.073978 
14.51118 
1 1 1 14  33  10 o 34.84473 6.657077  268.0169       91.48433 400.1537       
176.5736 219.5311       106.9598 39.51706 10.47250 30.17239 8.221519 9.344675 
13.31415 
1 1 1 14  33  11 o 53.88768 4.109653  658.7034       89.89865 556.9757       
138.7355 732.3336       118.0311 49.78873 6.637091 57.98663 4.848300 -8.197895 
8.219306 
1 1 1 14  33  12 o 19.51980 5.787991  26.35189       83.64079 -75.44937      
141.0486 81.56421       103.8748 17.73508 8.166544 21.30452 8.204324 -3.569443 
11.57598 
1 1 1 14  33  13 o 46.91597 5.856771  553.5088       97.12879 438.1294       
182.9593 598.7868       114.6131 41.51994 10.48681 52.31200 5.218601 -10.79206 
11.71354 
1 1 1 14  33  14 o 45.36571 6.003004  513.5390       97.45586 426.3749       
185.3630 546.8373       114.5684 40.83527 10.68797 49.89614 5.469137 -9.060871 
12.00601 
1 1 1 14  33  15 o 34.98096 6.620826  323.0464       100.5283 207.0649       
178.5739 376.8552       121.6327 29.81198 10.91675 40.14995 7.494398 -10.33797 
13.24165 
1 1 1 14  33  16 o 83.37218 4.326465  1550.739       142.7834 1523.660       
244.5102 1564.752       175.8883 82.01575 7.101022 84.72862 4.944561 -2.712875 
8.652930 
1 1 1 14  33  17 o 22.44520 6.539032  31.61126       100.1653 160.2206       
164.3852 -44.33906      126.3256 27.33851 10.37870 17.55189 7.957283 9.786621 
13.07806 
1 1 1 14  33  18 o 27.64856 6.903518  60.86750       99.80183 397.0781       
202.3886 -47.15549      114.7198 38.72235 11.56946 16.57477 7.535373 22.14758 
13.80704 
1 1 1 14  33  19 o 48.70340 6.561375  600.8494       117.9172 513.7732       
215.2967 638.1627       140.9351 44.00529 11.51914 53.40150 6.286178 -9.396206 
13.12275 
1 1 1 14  33  20 o 18.92794 6.113527  -47.85898      101.7721 -51.21817      
179.5698 -46.26936      123.5269 20.64116 9.395691 17.21473 7.824438 3.426430 
12.22705 
1 1 1 14  33  21 o 29.50837 7.196985  178.4776       109.5310 348.0911       
183.7000 84.91513       136.4363 36.22008 11.06304 22.79665 9.208450 13.42343 
14.39397 
1 1 1 14  33  22 o 44.83332 7.243111  547.5055       128.9786 420.1158       
233.3156 603.5677       154.7788 38.48262 12.56865 51.18402 7.202747 -12.70140 
14.48622 
1 1 1 14  33  23 o 35.46410 7.755606  330.8327       119.4480 348.6123       
231.0641 324.3486       139.5393 35.17528 12.46310 35.75293 9.234119 
-0.5776443     15.51121 
1 1 1 14  33  24 o 50.10214 6.824540  575.6039       126.8544 819.0118       
245.1413 486.5872       148.2467 55.54564 10.90061 44.65864 8.214253 10.88700 
13.64908 
1 1 1 14  33  25 o 43.36240 7.687964  448.4444       136.3195 781.0812       
243.8320 297.2031       164.4147 53.56522 11.20503 33.15957 10.52931 20.40565 
15.37593 
1 1 1 14  33  26 o 30.01252 7.865469  184.6129       124.2087 416.1884       
233.3603 93.07365       146.7183 37.00817 12.56986 23.01687 9.458388 13.99130 
15.73094 
1 1 1 14  33  27 o 22.74868 7.006960  54.44218       127.7135 -107.2486      
239.6619 118.5677       150.9287 21.47950 10.12200 24.01785 9.692010 -2.538351 
14.01392 
1 1 1 14  33  28 f 51.14688 7.372157  640.1895       140.2666 944.5530       
271.1271 528.9564       163.9057 57.12203 11.70861 45.17173 8.961206 11.95030 
14.74431 
1 1 1 14  33  29 o 20.14836 6.528295  -7.151480      118.4695 -173.1201      
245.4221 43.27115       135.2737 20.18567 9.730617 20.11104 8.705725 
0.7462311E-01  13.05659 
1 1 1 14  33  30 f 17.79362 6.103791  -122.4906      119.0999 -189.8833      
252.8985 -103.2843      135.0086 19.86798 9.642389 15.71927 7.486614 4.148715 
12.20758 
1 1 1 14  33  31 o 22.08373 6.848477  62.29329       137.3042 -288.9909      
269.4955 185.4456       159.5672 18.79285 9.286718 25.37461 10.06794 -6.581764 
13.69695 
1 1 1 14  33  32 o 23.01923 7.212448  121.2665       125.3533 99.79368       
273.3528 126.9845       141.0596 23.65215 11.07060 22.38631 9.247668 1.265842 
14.42490 
1 1 1 14  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  34  4  o 19.15025 5.070669  75.57001       55.78088 18.27574       
102.6322 99.58978       66.45267 17.62940 7.606561 20.67110 6.707232 -3.041698 
10.14134 
1 1 1 14  34  5  o 51.45027 4.261571  547.2589       75.62875 709.6776       
170.7263 507.6056       84.35717 54.70050 7.434130 48.20005 4.168652 6.500454 
8.523142 
1 1 1 14  34  6  o 35.85194 5.282775  395.5216       79.11182 95.32344       
147.6466 516.4189       93.69743 23.24228 9.509088 48.46160 4.605227 -25.21932 
10.56555 
1 1 1 14  34  7  o 18.29514 5.680530  -7.299298      72.78040 71.36597       
146.5972 -33.03077      83.84293 22.34613 9.341010 14.24415 6.466778 8.101981 
11.36106 
1 1 1 14  34  8  o 22.09367 6.281938  83.29346       91.82479 -75.13661      
186.4463 134.0275       105.5078 20.12708 9.314121 24.06025 8.431970 -3.933168 
12.56388 
1 1 1 14  34  9  o 31.41788 8.261745  254.6864       148.3385 319.8697       
206.8489 185.6699       212.8441 34.09288 11.81976 28.74289 11.54639 5.349983 
16.52349 
1 1 1 14  34  10 o 41.76598 6.399798  425.6459       98.93192 441.8652       
194.4050 419.9775       114.9265 40.46165 11.11012 43.07030 6.355696 -2.608650 
12.79960 
1 1 1 14  34  11 o 19.85597 6.250170  2.712646       98.37112 -107.1912      
198.2110 38.62956       113.3107 20.20259 9.446404 19.50934 8.186816 0.6932449 
12.50034 
1 1 1 14  34  12 o 61.08610 5.129781  836.8365       110.7028 903.6880       
231.1025 816.9288       126.1134 61.15308 9.001344 61.01911 4.922847 0.1339684 
10.25956 
1 1 1 14  34  13 o 89.94350 3.862336  1826.249       132.2129 1700.462       
239.1532 1881.614       158.6639 86.61309 6.576788 93.27391 4.051717 -6.660820 
7.724672 
1 1 1 14  34  14 o 21.88029 5.973015  63.79652       89.86038 -94.94622      
142.2040 169.3222       115.9428 17.15259 8.012877 26.60800 8.860105 -9.455412 
11.94603 
1 1 1 14  34  15 o 53.08328 5.678511  683.4942       109.9089 619.3546       
198.7473 711.7505       131.9157 49.51484 9.910620 56.65173 5.546312 -7.136887 
11.35702 
1 1 1 14  34  16 o 26.19786 7.053020  118.9163       99.64960 249.4018       
188.1372 68.03475       117.4826 31.29416 11.23005 21.10156 8.536183 10.19260 
14.10604 
1 1 1 14  34  17 o 66.11094 4.379250  976.9206       116.2577 1004.913       
195.5387 961.6152       144.5887 66.19643 7.035895 66.02545 5.216079 0.1709747 
8.758499 
1 1 1 14  34  18 o 27.19937 6.996776  146.3321       99.41329 272.7130       
175.9812 87.09852       120.4785 32.28835 10.91566 22.11039 8.756016 10.17796 
13.99355 
1 1 1 14  34  19 o 26.23740 6.732707  69.86711       97.97493 344.4585       
184.1810 -38.49801      115.7034 35.71585 11.11197 16.75895 7.605366 18.95691 
13.46541 
1 1 1 14  34  20 o 32.00297 7.640901  264.9869       115.8008 270.4908       
216.0954 262.7696       137.1567 31.97502 11.95829 32.03092 9.514874 
-0.5590057E-01 15.28180 
1 1 1 14  34  21 o 21.78231 6.606170  44.13098       99.30188 81.65475       
185.0143 28.94732       117.6901 24.31224 10.34282 19.25239 8.221441 5.059851 
13.21234 
1 1 1 14  34  22 o 30.59153 7.412447  133.4016       120.9986 510.9050       
225.2664 -19.68002      143.4490 42.12181 12.09762 19.06125 8.568847 23.06056 
14.82489 
1 1 1 14  34  23 o 53.90235 5.887413  582.8400       117.5925 1012.996       
248.9663 459.3214       133.4117 63.52108 9.335634 44.28362 7.175825 19.23746 
11.77483 
1 1 1 14  34  24 o 33.21869 7.694805  287.3347       111.3830 351.1317       
232.2939 268.2880       126.9255 34.27861 12.46086 32.15877 9.031453 2.119843 
15.38961 
1 1 1 14  34  25 o 24.34612 7.366762  6.174747       123.0648 299.3952       
240.7234 -97.57558      143.1911 31.91724 12.44836 16.77501 7.881312 15.14223 
14.73352 
1 1 1 14  34  26 f 22.27087 7.064960  -31.98412      122.2146 199.0058       
235.4348 -117.1877      142.9892 28.28539 11.83160 16.25634 7.724497 12.02905 
14.12992 
1 1 1 14  34  27 o 38.20299 8.267841  412.4169       134.1353 557.6385       
253.5348 355.9684       158.0695 40.85094 13.08573 35.55504 10.10903 5.295898 
16.53568 
1 1 1 14  34  28 o 17.28100 6.127764  -291.4517      132.4127 -171.1971      
283.8283 -324.9055      149.7020 21.38065 10.33932 13.18135 6.580002 8.199299 
12.25553 
1 1 1 14  34  29 o 24.16343 7.396925  110.2226       115.7831 222.3677       
255.1886 81.15232       129.9260 27.41668 11.91391 20.91018 8.770220 6.506495 
14.79385 
1 1 1 14  34  30 o 21.30897 6.758613  67.46236       118.9609 -61.38455      
256.8166 102.6611       134.2300 21.10215 10.11874 21.51579 8.962500 
-0.4136391     13.51723 
1 1 1 14  34  31 o 23.69204 7.447206  91.62375       120.0294 340.1489       
267.7542 29.12041       134.2773 28.75882 12.34465 18.62526 8.333860 10.13356 
14.89441 
1 1 1 14  35  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  35  5  o 23.61377 5.421223  143.8600       63.03134 76.62856       
118.6488 170.2943       74.39788 20.83642 8.524462 26.39112 6.700163 -5.554699 
10.84245 
1 1 1 14  35  6  o 23.46206 5.904611  134.6175       71.09381 78.39591       
145.0436 152.3962       81.56370 22.07187 9.262347 24.85224 7.325753 -2.780378 
11.80922 
1 1 1 14  35  7  o 50.89874 4.806300  581.1288       85.44430 656.6813       
182.6705 559.9689       96.67171 51.46594 8.454141 50.33152 4.574888 1.134418 
9.612600 
1 1 1 14  35  8  o 28.30575 6.052157  209.5835       78.73159 163.9344       
132.7067 234.3778       97.80324 25.84914 9.416226 30.76235 7.605861 -4.913208 
12.10431 
1 1 1 14  35  9  o 25.58488 10.24171  142.5571       166.6263 142.5571       
166.6263 0.000000       0.000000 25.58488 10.24171 ?        ?        ? ? 
1 1 1 14  35  10 o 23.78197 6.883008  104.7790       104.3412 91.72943       
188.7579 110.5210       125.2102 24.47668 10.43087 23.08726 8.983322 1.389427 
13.76602 
1 1 1 14  35  11 o 25.50609 6.951593  143.5477       113.0954 -18.75328      
205.7114 213.8545       135.3931 22.16669 10.08107 28.84550 9.574477 -6.678810 
13.90319 
1 1 1 14  35  12 o 58.07597 6.323750  846.2302       120.2241 805.5811       
253.4982 858.0263       136.5586 54.06268 11.51153 62.08925 5.238703 -8.026573 
12.64750 
1 1 1 14  35  13 o 31.44255 7.140490  261.1274       101.1740 231.6992       
206.2474 270.4529       116.1032 30.01497 11.56024 32.87012 8.384943 -2.855150 
14.28098 
1 1 1 14  35  14 o 23.95936 6.818282  114.2074       98.11512 -32.03401      
235.5217 144.9161       107.9260 23.20992 10.63086 24.70879 8.540529 -1.498871 
13.63656 
1 1 1 14  35  15 f 51.16401 6.019992  468.8965       105.8844 1031.701       
252.6794 349.0173       116.6173 64.30765 9.358973 38.02037 7.574354 26.28728 
12.03998 
1 1 1 14  35  16 o 20.30241 6.365023  15.00681       97.78923 -8.785036      
191.9122 23.35061       113.6503 21.88236 9.869952 18.72246 8.039783 3.159893 
12.73005 
1 1 1 14  35  17 o 44.80079 6.460557  445.5578       107.6311 687.6678       
210.0421 359.3472       125.3373 51.37370 10.09822 38.22787 8.061092 13.14583 
12.92111 
1 1 1 14  35  18 o 35.79572 7.259971  338.1538       108.4589 354.4971       
203.9132 331.7062       128.0787 35.24267 11.75004 36.34875 8.530249 -1.106083 
14.51994 
1 1 1 14  35  19 o 25.08737 7.198049  98.11391       108.7831 229.1610       
204.8575 46.64908       128.3788 29.74823 11.50798 20.42652 8.649504 9.321712 
14.39610 
1 1 1 14  35  20 o 62.66352 4.983542  953.4620       121.6450 792.3700       
201.5938 1045.704       152.5470 56.94102 8.432825 68.38602 5.313214 -11.44500 
9.967085 
1 1 1 14  35  21 o 49.66590 5.831050  601.5145       108.4558 614.8229       
194.6408 595.5219       130.6111 48.27548 9.943664 51.05632 6.093288 -2.780838 
11.66210 
1 1 1 14  35  22 o 35.78574 6.933534  177.9136       119.4176 784.1483       
239.3342 -23.04365      137.7959 53.16339 11.08643 18.40809 8.329858 34.75530 
13.86707 
1 1 1 14  35  23 o 21.93915 6.626994  69.35609       102.7097 -3.002334      
202.0494 94.56956       119.2695 22.00090 10.00174 21.87741 8.696749 0.1234970 
13.25399 
1 1 1 14  35  24 o 22.07159 6.952085  30.07384       114.7081 101.0456       
226.1678 5.495102       133.0968 25.25844 11.09459 18.88474 8.380696 6.373701 
13.90417 
1 1 1 14  35  25 o 33.95544 8.256624  305.0010       132.3795 529.9653       
248.3681 215.7316       156.4553 39.85456 12.96775 28.05633 10.22373 11.79823 
16.51325 
1 1 1 14  35  26 o 38.06549 7.518942  498.2368       145.3981 195.4130       
278.4238 611.7872       170.4927 27.78616 12.25255 48.34481 8.718541 -20.55865 
15.03788 
1 1 1 14  35  27 o 24.57242 7.756879  57.77636       138.4781 324.3050       
285.4147 -24.28150      158.3669 30.29534 12.86591 18.84951 8.668631 11.44583 
15.51376 
1 1 1 14  35  28 o 20.55131 6.865737  -204.5886      134.1014 281.1325       
257.5150 -385.3184      157.0811 28.35130 12.13585 12.75133 6.424516 15.59997 
13.73147 
1 1 1 14  35  29 o 19.95631 6.064643  24.52567       113.5439 -556.4369      
257.8787 164.2387       126.4619 15.82996 8.002603 24.08266 9.114710 -8.252706 
12.12929 
1 1 1 14  35  30 o 23.30276 7.174600  133.8046       116.9799 147.5183       
262.2929 130.3996       130.6982 24.29458 11.16574 22.31094 9.012532 1.983646 
14.34920 
1 1 1 14  36  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  36  5  o 33.68472 5.217770  282.9969       68.42323 321.2762       
119.6923 264.4150       83.39302 34.48607 8.345114 32.88338 6.265744 1.602688 
10.43554 
1 1 1 14  36  6  o 24.74678 5.823309  120.3937       69.79282 280.9986       
129.0817 54.04570       82.96581 31.73422 9.171818 17.75933 7.177847 13.97488 
11.64662 
1 1 1 14  36  7  o 35.36607 5.564615  383.3460       81.58785 159.6361       
154.5849 469.7236       96.05611 25.15940 9.932524 45.57273 5.020431 -20.41334 
11.12923 
1 1 1 14  36  8  o 29.66820 7.040927  187.4616       85.23213 391.8343       
198.5029 141.2662       94.37453 35.56873 11.59312 23.76767 7.993635 11.80106 
14.08185 
1 1 1 14  36  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  36  10 o 27.47957 5.883917  205.8955       82.51595 72.00048       
140.6664 276.1423       101.8877 21.60947 9.097363 33.34967 7.464575 -11.74020 
11.76783 
1 1 1 14  36  11 o 42.15646 6.950759  479.0075       116.7863 480.6065       
197.8821 478.1529       144.6681 40.68779 11.22529 43.62514 8.200303 -2.937351 
13.90152 
1 1 1 14  36  12 o 25.93843 7.413093  136.8109       113.9738 228.9045       
215.9004 101.2310       134.1964 29.19393 11.66989 22.68293 9.144913 6.510996 
14.82619 
1 1 1 14  36  13 o 65.24980 5.370787  1019.499       132.7050 1030.062       
244.3174 1015.078       158.0526 63.60381 9.149394 66.89579 5.627611 -3.291977 
10.74157 
1 1 1 14  36  14 o 29.91520 7.454895  238.2117       106.2928 225.4063       
236.9353 241.4382       118.9323 29.35518 12.03400 30.47521 8.802533 -1.120031 
14.90979 
1 1 1 14  36  15 o 23.61441 6.848664  110.5601       100.4518 27.64488       
221.1947 132.1033       112.7489 23.50574 10.59952 23.72307 8.675653 
-0.2173290     13.69733 
1 1 1 14  36  16 o 31.59822 7.671961  261.8264       110.9866 323.1574       
228.5268 242.8952       126.9656 32.82850 12.29349 30.36794 9.181833 2.460558 
15.34392 
1 1 1 14  36  17 o 25.64788 7.464273  123.8757       111.0224 213.9543       
236.9007 98.52390       125.6782 28.97585 11.97793 22.31992 8.910150 6.655924 
14.92855 
1 1 1 14  36  18 o 54.30760 6.970375  704.8284       123.3827 910.2347       
283.7338 656.9289       137.0155 55.16796 12.53235 53.44725 6.106122 1.720707 
13.94075 
1 1 1 14  36  19 o 20.17059 6.409052  -11.46367      97.11388 95.97249       
196.7005 -46.09258      111.6734 24.42280 10.53402 15.91839 7.303301 8.504410 
12.81810 
1 1 1 14  36  20 o 36.61585 7.339192  313.4160       103.8657 542.5482       
217.7276 245.9097       118.1797 42.59741 11.78467 30.63430 8.750808 11.96311 
14.67838 
1 1 1 14  36  21 o 17.47566 5.909591  -111.2714      111.9470 -221.2334      
219.6263 -72.67425      130.1190 18.56060 9.000952 16.39071 7.660022 2.169893 
11.81918 
1 1 1 14  36  22 o 23.12794 7.076610  85.86713       119.3501 33.59660       
232.9734 104.4663       138.9712 23.54945 10.71483 22.70644 9.246945 0.8430157 
14.15322 
1 1 1 14  36  23 o 40.27485 6.656587  506.2081       110.8856 288.7044       
215.3653 584.6654       129.3479 30.53646 11.80222 50.01323 6.160208 -19.47676 
13.31317 
1 1 1 14  36  24 o 21.71323 7.098327  -3.173960      130.5028 99.87720       
262.6209 -36.96495      150.3846 25.17696 11.43417 18.24951 8.414548 6.927448 
14.19665 
1 1 1 14  36  25 o 40.18159 7.734598  502.1756       128.6649 500.8047       
244.5370 502.7004       151.3015 36.98625 12.84876 43.37694 8.614255 -6.390690 
15.46920 
1 1 1 14  36  26 o 44.65952 7.332953  698.2855       140.5192 420.8492       
265.8138 805.8875       165.5411 32.29994 12.93323 57.01910 6.915230 -24.71915 
14.66591 
1 1 1 14  36  27 o 23.78773 7.376719  99.43722       121.8585 306.0528       
248.1388 33.77117       139.8890 28.46033 12.03697 19.11513 8.530846 9.345201 
14.75344 
1 1 1 14  36  28 o 20.46597 6.555800  40.44874       126.1490 -197.6954      
253.1553 119.1160       145.5004 18.85358 9.271061 22.07837 9.271543 -3.224787 
13.11160 
1 1 1 14  37  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  37  6  o 20.69667 5.790804  69.09173       75.24982 200.6716       
128.3955 0.2489814      92.87185 25.90535 9.279138 15.48800 6.930457 10.41734 
11.58161 
1 1 1 14  37  7  o 46.11288 5.442924  625.1605       84.31934 390.7755       
156.5173 720.9983       100.0843 35.60728 10.03862 56.61848 4.210451 -21.01120 
10.88585 
1 1 1 14  37  8  o 31.72937 5.613323  307.9661       81.79498 142.7098       
150.0215 377.8721       97.57339 23.53359 9.599595 39.92515 5.821112 -16.39156 
11.22665 
1 1 1 14  37  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 14  37  10 o 30.94178 6.566946  266.6825       91.75859 315.3111       
139.3074 229.4168       121.9503 33.22666 9.503923 28.65689 9.065018 4.569773 
13.13389 
1 1 1 14  37  11 o 41.83569 5.917889  498.1415       96.28821 323.8408       
160.5872 595.9819       120.3152 32.94521 10.40043 50.72617 5.649495 -17.78096 
11.83578 
1 1 1 14  37  12 o 18.13873 5.621594  -31.93844      95.68592 -279.7818      
160.7082 104.1757       119.0970 14.40743 7.132101 21.87003 8.691515 -7.462600 
11.24319 
1 1 1 14  37  13 o 26.25679 6.933002  190.0665       106.1413 61.50122       
216.0642 230.9617       121.8587 23.40214 10.51852 29.11145 9.034753 -5.709318 
13.86600 
1 1 1 14  37  14 o 27.82525 7.668550  139.4827       112.5317 426.9033       
240.5689 58.97568       127.3202 35.37557 12.69842 20.27494 8.600970 15.10063 
15.33710 
1 1 1 14  37  15 o 57.81751 7.191641  903.4342       137.4887 929.8246       
291.9621 895.9142       155.8511 53.54131 13.08196 62.09371 5.978377 -8.552399 
14.38328 
1 1 1 14  37  16 o 39.12868 8.068204  367.0260       118.4805 714.2451       
268.9004 283.3784       131.9825 46.11959 13.20818 32.13778 9.269711 13.98181 
16.13641 
1 1 1 14  37  17 o 28.66584 7.622207  234.0949       116.6096 174.7566       
273.0149 247.3354       128.9650 27.34305 12.08521 29.98864 9.291930 -2.645588 
15.24441 
1 1 1 14  37  18 o 28.37722 6.474728  244.2547       114.7806 -223.5646      
266.0554 351.2365       127.2296 20.16011 9.815610 36.59433 8.446430 -16.43422 
12.94946 
1 1 1 14  37  19 o 22.14812 6.920228  69.24628       112.9129 -10.88115      
254.2155 88.93874       126.0264 22.89647 10.70291 21.39978 8.775307 1.496693 
13.84046 
1 1 1 14  37  20 o 34.38057 6.661076  398.2922       123.6667 26.32851       
269.0786 497.9004       139.2440 23.83157 11.09000 44.92957 7.381850 -21.09799 
13.32215 
1 1 1 14  37  21 o 22.93970 7.002511  71.29730       113.0332 210.5256       
208.8298 13.60488       134.4275 27.12189 11.23080 18.75751 8.367186 8.364389 
14.00502 
1 1 1 14  37  22 o 35.91171 7.788170  389.2288       121.0077 478.5401       
224.2868 352.5572       143.7195 36.82281 12.32307 35.00060 9.527036 1.822205 
15.57634 
1 1 1 14  37  23 o 29.14165 7.316832  269.1580       111.9072 232.3345       
210.0249 283.7571       132.2430 27.11997 11.24845 31.16333 9.360371 -4.043367 
14.63366 
1 1 1 14  37  24 o 34.68447 7.271956  434.7050       130.5856 217.1099       
252.8090 513.8894       152.5063 26.29941 11.62596 43.06954 8.738557 -16.77012 
14.54391 
1 1 1 14  37  25 o 26.62212 7.370490  232.9867       123.2327 158.0030       
225.5784 264.8843       147.1273 24.36986 10.85566 28.87438 9.972519 -4.504515 
14.74098 
1 1 1 14  37  26 o 24.36557 7.568639  162.4294       139.9535 188.7023       
272.4446 153.0110       163.1211 25.19622 11.49697 23.53491 9.846673 1.661314 
15.13728 
1 1 1 14  38  9  o 17.57177 7.421328  48.79824       94.10676 0.000000       
0.000000 48.79824       94.10676 ?        ?        17.57177 7.421328 ? ? 
1 1 1 14  38  10 o 46.10979 6.080851  585.3571       112.4764 635.6788       
172.4974 548.1377       148.3507 47.30234 9.010094 44.91724 8.168550 2.385101 
12.16170 
1 1 1 14  38  11 o 45.78671 6.229744  605.4885       112.3245 486.7508       
177.8604 684.2626       144.8694 39.00279 10.59035 52.57063 6.563787 -13.56784 
12.45949 
1 1 1 14  38  12 o 23.34574 6.573165  140.1997       96.66903 200.7944       
148.0396 95.15482       127.6390 25.76404 9.829224 20.92743 8.729970 4.836607 
13.14633 
1 1 1 14  38  13 o 37.47911 6.176038  394.6797       92.00662 391.0890       
157.9871 396.5224       113.1797 35.58490 10.10283 39.37333 7.106795 -3.788422 
12.35208 
1 1 1 14  38  14 o 34.47803 6.023284  391.1378       98.82077 151.7346       
186.3056 484.8630       116.5706 24.15353 10.33017 44.80252 6.197374 -20.64898 
12.04657 
1 1 1 14  38  15 o 26.01889 6.714187  201.5362       119.8944 -138.0585      
240.7306 313.5588       138.2623 19.54794 9.464977 32.48985 9.525515 -12.94191 
13.42837 
1 1 1 14  38  16 o 23.68292 7.250968  130.6777       123.8923 145.6959       
237.6238 125.0711       145.1877 24.66244 11.05946 22.70341 9.380535 1.959032 
14.50194 
1 1 1 14  38  17 o 45.09195 7.969759  610.7368       139.5222 786.0037       
262.7886 541.9379       164.6444 46.48130 12.97637 43.70259 9.256462 2.778702 
15.93952 
1 1 1 14  38  18 o 47.90473 7.791685  693.2960       137.0923 795.3798       
283.7335 662.2056       156.5829 44.73328 13.76666 51.07618 7.302088 -6.342899 
15.58337 
1 1 1 14  38  19 o 19.10507 6.428549  -36.75274      120.2314 -70.61309      
260.7656 -27.61111      135.4928 21.00228 10.10116 17.20787 7.954348 3.794411 
12.85710 
1 1 1 14  38  20 o 18.26894 6.248491  -62.42962      109.3877 -66.54759      
269.3894 -61.61658      119.7001 21.17056 10.20276 15.36731 7.216522 5.803252 
12.49698 
1 1 1 14  38  21 o 26.45644 7.536548  203.4891       113.5608 305.4882       
241.1319 174.4189       128.7303 28.36225 11.92421 24.55064 9.220167 3.811605 
15.07310 
1 1 1 14  38  22 o 21.17944 6.765382  70.40549       113.9753 36.75877       
255.3761 78.77447       127.3636 22.23414 10.46912 20.12475 8.572001 2.109386 
13.53076 
1 1 1 14  38  23 o 19.88597 6.313826  36.16595       115.6129 -164.1145      
219.4570 113.1027       136.0182 18.10909 8.834434 21.66286 9.022771 -3.553770 
12.62765 
1 1 1 15  -26 0  o 40.24725 6.672261  461.0948       111.7842 367.8012       
152.5610 569.2454       164.2600 35.02622 9.922576 45.46829 8.922935 -10.44207 
13.34452 
1 1 1 15  -26 1  o 21.60076 6.655057  77.11688       118.6298 159.0325       
158.1997 -28.12222      179.3127 24.06544 9.843994 19.13608 8.958510 4.929363 
13.31011 
1 1 1 15  -26 2  o 39.19778 7.742913  498.7336       129.6047 467.5295       
163.5802 551.3527       212.4212 39.11315 9.938066 39.28242 11.87626 
-0.1692657     15.48583 
1 1 1 15  -26 3  o 50.97613 6.478191  735.3532       132.3644 707.7487       
170.4631 777.2729       210.0627 51.61175 7.866885 50.34051 10.29466 1.271244 
12.95638 
1 1 1 15  -25 0  o 41.66167 6.661335  467.1668       113.0783 461.8780       
150.0155 474.1256       172.0790 42.01759 8.788540 41.30575 10.01275 0.7118454 
13.32267 
1 1 1 15  -25 1  o 43.19609 6.312686  505.3313       107.4923 538.9753       
134.1127 444.8889       179.7576 47.49851 6.725292 38.89368 10.68506 8.604836 
12.62537 
1 1 1 15  -25 2  o 29.65520 7.229261  264.5811       110.1088 287.5812       
134.0528 216.8831       193.0462 31.92552 9.385568 27.38489 10.99818 4.540627 
14.45852 
1 1 1 15  -25 3  o 35.34045 7.063023  350.9420       108.2423 263.5761       
136.4715 499.1189       177.7301 29.92199 9.602227 40.75891 10.36062 -10.83691 
14.12605 
1 1 1 15  -25 4  o 42.20339 7.189563  484.8948       119.1992 374.8846       
142.6719 739.1846       216.9133 35.77435 9.382973 48.63244 10.89583 -12.85809 
14.37913 
1 1 1 15  -25 5  o 19.54094 6.356266  12.11689       114.7698 -5.775505      
141.5008 46.52100       196.2139 17.94209 8.227250 21.13978 9.691277 -3.197697 
12.71253 
1 1 1 15  -24 0  o 64.33064 5.007743  974.3653       125.4988 977.2766       
152.6849 968.3024       220.3414 65.84363 5.523361 62.81767 8.354786 3.025963 
10.01549 
1 1 1 15  -24 1  o 44.62360 6.117756  497.1168       108.5316 460.0436       
139.3091 554.3658       173.1145 43.04313 8.008046 46.20407 9.250890 -3.160934 
12.23551 
1 1 1 15  -24 2  o 52.35365 5.910651  672.6495       119.0755 646.8815       
145.6337 724.6203       206.8241 52.56197 6.599502 52.14533 9.807637 0.4166412 
11.82130 
1 1 1 15  -24 3  o 26.75513 6.694009  189.1465       95.75330 225.9161       
129.0773 144.1496       142.7898 28.92378 9.344163 24.58649 9.587787 4.337286 
13.38802 
1 1 1 15  -24 4  o 28.84203 7.070667  228.0760       104.2285 181.0080       
137.3671 291.9428       160.0140 26.09087 9.572701 31.59319 10.40868 -5.502319 
14.14133 
1 1 1 15  -24 5  o 20.77951 6.213795  55.49965       97.98715 -32.43251      
138.5183 143.5753       138.6313 17.62803 8.107026 23.93100 9.419188 -6.302973 
12.42759 
1 1 1 15  -24 6  o 19.00967 6.030209  19.04593       100.1918 -4.227163      
139.4917 43.84804       144.0010 18.18422 8.278317 19.83513 8.770583 -1.650906 
12.06042 
1 1 1 15  -24 7  o 20.44124 6.348378  40.05214       107.2429 -52.71854      
142.3157 161.9524       163.1360 16.83761 7.900065 24.04487 9.939648 -7.207253 
12.69676 
1 1 1 15  -24 8  o 19.92632 6.432288  24.94823       121.7756 -31.96238      
175.2450 78.08833       169.3403 18.65917 8.756850 21.19347 9.424164 -2.534302 
12.86458 
1 1 1 15  -23 0  o 38.73730 6.201587  370.1838       99.61357 268.8824       
134.2569 494.2513       148.5791 32.38662 9.351761 45.08800 8.147594 -12.70138 
12.40317 
1 1 1 15  -23 1  o 64.31375 4.593344  889.8666       117.8359 774.1902       
142.4757 1140.286       209.6298 58.65557 5.785657 69.97194 7.135923 -11.31637 
9.186687 
1 1 1 15  -23 2  o 19.75806 6.189739  5.499979       101.0550 19.93244       
131.9249 -14.99289      157.2019 19.61533 8.545503 19.90080 8.956890 
-0.2854767     12.37948 
1 1 1 15  -23 3  o 25.63746 6.578892  158.4099       93.69687 200.9793       
126.5853 106.8247       139.3468 27.97407 9.257815 23.30086 9.349874 4.673216 
13.15778 
1 1 1 15  -23 4  o 25.91000 6.994581  155.1591       107.4311 100.3719       
146.0697 219.7153       158.5586 23.10312 9.456165 28.71688 10.30910 -5.613762 
13.98916 
1 1 1 15  -23 5  o 40.48190 6.167904  424.7373       101.7129 446.4218       
140.0112 400.5045       148.0094 42.05093 8.223956 38.91286 9.194492 3.138065 
12.33581 
1 1 1 15  -23 6  o 54.29607 5.616437  739.5917       123.1843 841.8326       
172.0223 631.9818       176.4812 59.36545 6.901952 49.22668 8.862309 10.13877 
11.23287 
1 1 1 15  -23 7  o 46.59028 5.569834  553.9296       103.6776 581.5517       
136.2421 515.9269       159.8053 49.33039 6.578362 43.85017 8.989848 5.480217 
11.13967 
1 1 1 15  -23 8  o 18.42181 5.987781  -16.97327      106.3169 10.87116       
138.4909 -56.93213      165.9047 18.64549 8.398596 18.19814 8.536841 0.4473457 
11.97556 
1 1 1 15  -23 9  o 18.35212 6.128808  -55.56418      117.5622 -94.77927      
147.3923 13.01054       194.9082 16.22107 7.751021 20.48318 9.495831 -4.262106 
12.25762 
1 1 1 15  -23 10 o 68.95434 5.457034  1282.798       136.8978 1350.691       
163.5208 1123.711       250.3093 76.04646 5.121712 61.86221 9.637683 14.18425 
10.91407 
1 1 1 15  -22 0  o 30.14025 6.486714  224.6924       94.54532 302.1681       
128.7858 134.1284       139.2398 35.03249 8.768381 25.24800 9.561661 9.784485 
12.97343 
1 1 1 15  -22 1  o 50.35067 5.176898  560.7220       106.6241 484.9606       
133.6444 693.3914       176.8528 46.10800 6.903918 54.59334 7.716022 -8.485340 
10.35380 
1 1 1 15  -22 2  f 21.52593 6.071129  58.82520       90.69315 145.4979       
120.3661 -55.00742      137.9419 25.18340 8.987923 17.86845 8.164047 7.314945 
12.14226 
1 1 1 15  -22 3  o 28.66889 6.323960  191.6787       96.74037 330.8406       
135.1266 45.35267       138.5612 36.24921 8.926387 21.08856 8.960440 15.16065 
12.64792 
1 1 1 15  -22 4  o 22.08983 6.460753  43.51339       101.0576 -41.90040      
132.7847 161.0876       155.7902 17.75433 8.081067 26.42534 10.08274 -8.671009 
12.92151 
1 1 1 15  -22 5  o 31.90053 5.243055  183.1803       100.9160 543.3712       
147.3170 -135.2879      138.5222 48.04653 7.303178 15.75453 7.524766 32.29200 
10.48611 
1 1 1 15  -22 6  o 31.49470 6.194921  249.1086       98.95080 425.3333       
139.7572 71.97132       140.1186 41.16481 8.377552 21.82459 9.128241 19.34022 
12.38984 
1 1 1 15  -22 7  o 41.44593 6.499968  461.7289       112.6377 550.6125       
150.5566 348.7346       169.7529 47.82955 7.497640 35.06231 10.61997 12.76724 
12.99994 
1 1 1 15  -22 8  o 22.73234 6.336877  101.6806       94.39033 176.1577       
129.6240 17.60993       137.7197 26.04144 9.323868 19.42324 8.584260 6.618196 
12.67375 
1 1 1 15  -22 9  o 25.28269 6.685384  112.3640       111.9787 -71.24770      
152.8202 325.2528       164.5535 17.55686 8.228319 33.00851 10.53908 -15.45165 
13.37077 
1 1 1 15  -22 10 o 28.81987 7.257475  246.1351       111.6669 179.0388       
148.2998 333.9883       169.6955 25.25780 9.787136 32.38193 10.71894 -7.124132 
14.51495 
1 1 1 15  -22 11 o 21.29040 6.124018  57.26797       106.8877 222.2941       
135.6812 -212.6793      173.5332 26.99945 9.551961 15.58135 7.666448 11.41810 
12.24804 
1 1 1 15  -21 0  o 50.99584 4.774184  582.6851       100.9973 587.3961       
133.5566 576.3927       154.3534 51.49404 6.177739 50.49765 7.280583 0.9963913 
9.548368 
1 1 1 15  -21 1  o 20.10146 6.039896  28.17327       88.02342 25.28519       
115.3513 32.19954       136.1975 19.31858 8.190558 20.88435 8.878969 -1.565771 
12.07979 
1 1 1 15  -21 2  o 60.45513 4.322039  831.0303       106.7486 934.4897       
142.4093 698.3426       161.2755 65.32283 5.192716 55.58743 6.910555 9.735401 
8.644077 
1 1 1 15  -21 3  o 27.45522 6.448689  177.2398       92.71515 250.4505       
124.2913 85.39702       139.2117 31.87362 8.932664 23.03682 9.303217 8.836805 
12.89738 
1 1 1 15  -21 4  o 19.62994 6.165962  -14.50295      100.1501 -42.40481      
130.7581 25.09398       155.7697 17.79789 8.079017 21.46199 9.316964 -3.664106 
12.33192 
1 1 1 15  -21 5  o 61.20833 4.775002  826.7427       120.1188 719.6029       
152.0411 1004.675       195.9354 56.34510 6.427261 66.07156 7.063491 -9.726452 
9.550005 
1 1 1 15  -21 6  o 37.75960 6.081390  365.3867       98.67377 478.8813       
134.1293 231.5098       145.6763 45.50097 7.021408 30.01823 9.931418 15.48274 
12.16278 
1 1 1 15  -21 7  o 45.57073 6.161743  547.1310       110.5887 667.7205       
144.1702 374.7454       172.3739 54.02953 6.355731 37.11192 10.55808 16.91761 
12.32349 
1 1 1 15  -21 8  o 44.68376 6.120131  513.0405       109.6149 577.8771       
144.1637 424.1878       168.7645 49.70683 6.908138 39.66069 10.10454 10.04614 
12.24026 
1 1 1 15  -21 9  o 44.37312 6.019162  498.7928       107.9708 476.3265       
150.3277 522.7313       155.1752 43.25928 8.582200 45.48697 8.441983 -2.227680 
12.03832 
1 1 1 15  -21 10 o 28.15830 7.176250  215.9806       112.1768 277.7241       
153.4393 145.0900       164.4126 31.31472 10.19260 25.00187 10.10471 6.312845 
14.35250 
1 1 1 15  -21 11 o 35.12654 6.979605  328.3826       108.0670 222.1610       
136.3568 507.7842       177.2080 28.10628 9.608492 42.14680 10.12603 -14.04052 
13.95921 
1 1 1 15  -21 12 o 25.31107 6.682251  138.3976       107.0733 332.9614       
162.4516 -11.04902      142.3757 32.48043 10.48177 18.14171 8.291110 14.33872 
13.36450 
1 1 1 15  -21 13 o 23.39630 6.931205  147.3710       116.6298 184.2313       
144.3479 78.05874       197.9413 24.86059 9.651179 21.93201 9.950936 2.928585 
13.86241 
1 1 1 15  -20 0  o 28.89370 6.337387  162.1453       95.11058 32.59838       
126.2689 332.0374       144.6004 20.56792 8.637170 37.21948 9.276269 -16.65155 
12.67477 
1 1 1 15  -20 1  o 39.73409 5.858049  368.0588       93.75665 352.6556       
123.5021 389.0104       144.0381 38.95351 7.827189 40.51468 8.717916 -1.561176 
11.71610 
1 1 1 15  -20 2  o 33.66058 5.599421  280.1384       90.95682 446.8135       
120.8835 62.63057       138.0921 44.93193 6.408154 22.38923 9.184206 22.54269 
11.19884 
1 1 1 15  -20 3  o 19.15220 5.858253  -23.18857      89.33546 -99.86536      
118.4497 77.96750       136.0498 15.45231 7.242375 22.85209 9.210022 -7.399775 
11.71651 
1 1 1 15  -20 4  o 31.44843 6.561323  243.4756       93.15868 268.9301       
123.9675 210.4521       141.2010 33.29851 8.752189 29.59836 9.777679 3.700150 
13.12265 
1 1 1 15  -20 5  o 37.56753 6.555028  358.9765       102.7795 403.0777       
132.2253 291.6533       163.3696 41.25767 7.916018 33.87738 10.45037 7.380287 
13.11006 
1 1 1 15  -20 6  o 56.16831 4.833168  695.8534       111.9041 613.3676       
142.6600 827.7841       180.4202 52.15924 6.514665 60.17738 7.141231 -8.018139 
9.666335 
1 1 1 15  -20 7  o 19.38803 5.991388  -0.3327540     93.35342 -44.31001      
127.9877 49.66151       136.4628 17.50744 7.959341 21.26862 8.957445 -3.761185 
11.98278 
1 1 1 15  -20 8  o 58.12241 4.738735  775.4609       115.3302 822.0420       
161.5382 727.0319       164.7111 60.12064 6.399891 56.12418 6.990267 3.996460 
9.477470 
1 1 1 15  -20 9  o 64.54615 4.787168  961.2516       127.6141 953.7672       
166.4168 971.9349       198.8238 64.78452 6.118527 64.30779 7.364205 0.4767303 
9.574335 
1 1 1 15  -20 10 o 70.93781 4.444936  1159.148       131.5101 1185.198       
177.8315 1127.707       195.3698 72.21714 5.865291 69.65846 6.680434 2.558678 
8.889873 
1 1 1 15  -20 11 o 73.04416 4.545850  1209.906       137.4125 1058.623       
177.0123 1439.326       217.9841 67.65945 6.231548 78.42887 6.620183 -10.76942 
9.091701 
1 1 1 15  -20 12 o 24.66692 6.523666  123.2119       101.9809 263.3868       
145.3681 -12.63049      143.1039 30.62302 9.918625 18.71081 8.476659 11.91222 
13.04733 
1 1 1 15  -20 13 o 23.39925 6.647407  76.05087       112.8256 -88.26270      
153.9004 266.9699       165.8928 17.12778 8.082984 29.67072 10.55545 -12.54293 
13.29481 
1 1 1 15  -20 14 o 32.50915 8.201818  374.0788       141.5693 327.9498       
193.6659 427.0151       207.4641 30.63181 11.34748 34.38649 11.84542 -3.754684 
16.40364 
1 1 1 15  -20 15 o 24.78720 7.904931  153.2222       167.0835 308.9276       
278.2413 65.41010       208.9521 27.77847 12.24893 21.79592 9.995771 5.982555 
15.80986 
1 1 1 15  -19 0  o 101.0084 3.682066  2145.424       147.2390 2046.523       
178.6884 2354.600       259.8681 97.85502 4.349451 104.1618 5.942451 -6.306770 
7.364132 
1 1 1 15  -19 1  o 115.4918 3.914636  2882.280       186.0547 2863.782       
240.3009 2909.966       293.9853 115.3722 4.961070 115.6114 6.056837 
-0.2392578     7.829271 
1 1 1 15  -19 2  o 39.58099 5.945361  363.2142       94.27468 356.4957       
121.6778 373.3045       149.1171 39.43001 7.622362 39.73198 9.126274 
-0.3019714     11.89072 
1 1 1 15  -19 3  o 49.72372 5.010589  540.5068       103.7629 476.3271       
136.8706 627.2424       159.1144 46.32642 7.037241 53.12103 7.134510 -6.794609 
10.02118 
1 1 1 15  -19 4  o 27.95144 6.493276  179.1594       91.85070 234.8767       
122.0618 106.4231       139.4636 31.43373 8.866075 24.46914 9.489112 6.964588 
12.98655 
1 1 1 15  -19 5  o 72.31093 4.190010  1159.192       125.6668 1235.317       
169.1767 1065.482       187.7031 75.28174 5.352689 69.34013 6.447746 5.941612 
8.380019 
1 1 1 15  -19 6  o 31.38228 6.780217  213.3423       99.25194 125.2369       
125.3014 361.7181       162.6058 24.65821 9.128893 38.10636 10.02740 -13.44815 
13.56043 
1 1 1 15  -19 7  o 44.54253 6.118077  498.3779       110.3451 692.6526       
152.1184 282.6260       160.3064 55.60530 6.516083 33.47976 10.35684 22.12555 
12.23615 
1 1 1 15  -19 8  o 45.89365 5.723192  497.7074       105.7260 655.8947       
154.5779 358.6568       144.9266 53.77291 6.847071 38.01438 9.172641 15.75853 
11.44638 
1 1 1 15  -19 9  o 19.84811 6.084295  14.01368       93.95730 -11.86145      
128.2095 44.03129       138.0915 18.55594 8.231267 21.14028 8.962190 -2.584339 
12.16859 
1 1 1 15  -19 10 o 28.23324 7.056122  184.5520       104.6719 123.8484       
135.7822 273.4591       164.3253 24.29696 9.375270 32.16951 10.54797 -7.872551 
14.11224 
1 1 1 15  -19 11 o 22.72849 6.602791  83.36323       102.5692 36.90987       
148.4123 125.8384       141.9152 21.08936 9.123819 24.36762 9.546901 -3.278259 
13.20558 
1 1 1 15  -19 12 o 36.64447 7.992783  366.2450       133.1518 506.1721       
217.8858 282.8415       168.2172 41.38741 11.90141 31.90153 10.67215 9.485882 
15.98557 
1 1 1 15  -19 13 o 37.20544 7.420478  392.8423       120.2217 386.9038       
187.3831 396.9969       156.7318 36.21663 11.19617 38.19425 9.741655 -1.977619 
14.84096 
1 1 1 15  -19 14 o 43.94481 7.796571  580.5765       142.7745 538.3571       
228.6289 607.5667       182.8005 40.63137 12.32842 47.25824 9.547576 -6.626877 
15.59314 
1 1 1 15  -19 15 o 44.45407 7.777122  631.8186       146.3893 528.2563       
225.1635 707.6442       192.6660 38.71459 12.32485 50.19356 9.488556 -11.47897 
15.55424 
1 1 1 15  -19 16 o 37.25227 8.717460  586.3474       177.8906 421.2374       
319.9302 660.2393       214.0262 30.00705 13.18781 44.49749 11.40430 -14.49043 
17.43492 
1 1 1 15  -18 0  o 27.36241 6.295755  159.9161       90.45135 240.5615       
118.0726 45.36210       140.7228 32.36539 8.557538 22.35943 9.236595 10.00597 
12.59151 
1 1 1 15  -18 1  o 73.88678 4.167384  1222.439       123.8040 1400.283       
162.0997 973.4734       191.7928 80.92999 4.770828 66.84358 6.834293 14.08640 
8.334768 
1 1 1 15  -18 2  o 100.8811 3.637568  2175.734       149.9882 2144.058       
190.8778 2226.862       242.5015 100.1755 4.538528 101.5867 5.685891 -1.411278 
7.275136 
1 1 1 15  -18 3  o 21.11700 5.965689  30.04355       89.32141 129.2987       
118.3318 -101.4099      136.1792 25.15160 8.918145 17.08241 7.926188 8.069185 
11.93138 
1 1 1 15  -18 4  o 43.14959 5.711715  457.3802       97.98367 651.1270       
133.5528 231.5148       144.1984 54.77651 5.807372 31.52266 9.837133 23.25385 
11.42343 
1 1 1 15  -18 5  o 21.74976 6.262214  40.78181       94.11970 116.4184       
132.5079 -36.23430      133.7109 24.83956 9.349385 18.65997 8.333684 6.179586 
12.52443 
1 1 1 15  -18 6  o 80.15530 4.020937  1357.634       132.3519 1206.052       
167.3351 1610.901       216.2984 74.53681 5.347333 85.77378 6.006478 -11.23697 
8.041875 
1 1 1 15  -18 7  o 40.46928 5.930058  387.3031       97.86869 418.1590       
128.8798 345.2727       150.4173 43.23516 7.100170 37.70341 9.499998 5.531754 
11.86012 
1 1 1 15  -18 8  o 37.18372 6.625671  318.1089       102.6778 234.7625       
130.1578 455.4415       167.0758 31.14705 9.272319 43.22039 9.466899 -12.07335 
13.25134 
1 1 1 15  -18 9  o 31.70360 7.436522  252.2907       130.1646 47.58075       
217.9987 365.7079       162.2647 25.28583 11.00014 38.12138 10.01021 -12.83555 
14.87304 
1 1 1 15  -18 10 o 33.29819 6.881725  277.3268       105.8494 366.2191       
151.5012 192.5537       147.9494 38.21730 9.476847 28.37908 9.981079 9.838224 
13.76345 
1 1 1 15  -18 11 o 42.76071 6.935145  470.3622       121.0375 441.0207       
185.8951 491.9555       159.4727 40.81478 10.71288 44.70665 8.810169 -3.891872 
13.87029 
1 1 1 15  -18 12 o 22.90881 7.006900  49.35057       122.5414 75.69146       
187.2585 29.62200       162.0594 24.17173 10.34786 21.64589 9.450317 2.525839 
14.01380 
1 1 1 15  -18 13 o 28.87013 7.673702  208.1014       121.7320 245.6956       
208.6613 188.7044       149.8816 30.29610 11.63708 27.44416 10.00606 2.851940 
15.34740 
1 1 1 15  -18 14 o 24.22846 7.233712  41.27824       130.6130 256.4906       
210.4117 -93.63625      166.5964 30.22810 11.66929 18.22882 8.551844 11.99928 
14.46742 
1 1 1 15  -18 15 o 33.53800 6.983980  310.8612       126.5204 72.19537       
183.0885 528.9966       175.0367 22.97008 10.03646 44.10592 9.714598 -21.13584 
13.96796 
1 1 1 15  -18 16 o 28.26451 7.536289  235.2995       128.3444 136.0959       
189.7281 318.9950       174.2685 24.49842 10.44943 32.03060 10.86241 -7.532177 
15.07258 
1 1 1 15  -18 17 o 19.56554 6.501406  -31.80383      136.3666 -90.05482      
215.2521 7.248784       176.2466 19.31010 9.260488 19.82097 9.127788 
-0.5108719     13.00281 
1 1 1 15  -17 0  o 34.11186 6.485239  261.1611       93.41270 238.9210       
120.2014 295.0742       148.4310 32.40173 8.665140 35.82199 9.651354 -3.420265 
12.97048 
1 1 1 15  -17 1  o 74.23476 3.974572  1192.444       121.0272 1240.764       
157.3393 1122.425       189.4025 76.27392 4.913403 72.19559 6.248790 4.078323 
7.949145 
1 1 1 15  -17 2  o 30.32649 6.671589  203.5370       92.83325 187.8349       
121.1165 225.8997       144.5395 29.01688 9.007558 31.63610 9.843998 -2.619213 
13.34318 
1 1 1 15  -17 3  o 50.17769 5.126298  537.7120       106.2213 489.4217       
136.2133 612.6468       169.6801 47.46816 6.834993 52.88722 7.641898 -5.419060 
10.25260 
1 1 1 15  -17 4  o 127.8703 4.139569  3515.768       221.8322 3813.985       
323.3922 3250.745       304.8634 133.0124 5.791064 122.7282 5.916732 10.28422 
8.279139 
1 1 1 15  -17 5  o 85.82661 4.180012  1562.526       147.8948 1439.577       
189.1030 1756.179       237.3266 81.73125 5.511011 89.92196 6.286395 -8.190704 
8.360023 
1 1 1 15  -17 6  o 37.49762 6.192352  331.2155       95.70311 362.8058       
129.3757 293.0391       142.2241 39.74580 8.034260 35.24945 9.425049 4.496346 
12.38470 
1 1 1 15  -17 7  o 19.56739 5.979218  -3.109331      91.76062 44.05170       
122.6284 -63.11443      138.3227 20.92768 8.631428 18.20710 8.276633 2.720581 
11.95844 
1 1 1 15  -17 8  o 27.85744 6.740157  171.4038       96.91601 219.8909       
134.7676 119.4716       139.4733 30.54660 9.505501 25.16828 9.558467 5.378323 
13.48031 
1 1 1 15  -17 9  o 97.36655 4.255013  2116.420       167.9856 2231.146       
215.6255 1939.269       267.9424 101.4164 5.064225 93.31671 6.839165 8.099686 
8.510027 
1 1 1 15  -17 10 o 73.00879 5.001926  1198.926       152.7295 1213.237       
226.4202 1186.977       206.8838 73.19881 7.367706 72.81878 6.767124 0.3800278 
10.00385 
1 1 1 15  -17 11 o 65.96070 5.600921  1022.738       151.4321 872.4999       
226.8548 1143.490       203.3782 60.71852 8.899134 71.20288 6.803431 -10.48436 
11.20184 
1 1 1 15  -17 12 o 49.42343 6.697159  545.9866       132.0240 880.0120       
226.6553 374.4547       162.4234 60.60062 8.908607 38.24625 10.00222 22.35437 
13.39432 
1 1 1 15  -17 13 o 57.86741 5.755486  786.9202       139.0185 875.6213       
210.9265 718.7964       184.8483 60.59423 8.291265 55.14059 7.984821 5.453648 
11.51097 
1 1 1 15  -17 14 o 23.99839 6.814392  102.4004       111.1386 -9.611674      
176.3064 176.2602       143.1659 21.09118 9.489493 26.90559 9.782294 -5.814405 
13.62878 
1 1 1 15  -17 15 o 23.12211 7.017387  56.17532       129.7617 -96.53796      
209.9813 150.5247       165.0486 20.46955 9.602687 25.77467 10.23540 -5.305126 
14.03477 
1 1 1 15  -17 16 o 27.76471 7.654666  189.3568       121.8215 268.2630       
215.5380 152.3185       147.6704 30.36161 11.79199 25.16781 9.763438 5.193808 
15.30933 
1 1 1 15  -17 17 o 39.86593 7.052810  503.1095       135.3688 238.9857       
221.9006 659.6666       170.8406 28.49334 11.65750 51.23852 7.941739 -22.74518 
14.10562 
1 1 1 15  -17 18 f 19.54262 6.325203  -8.984001      122.5849 -202.2523      
217.3152 81.21346       148.4591 17.88399 8.737553 21.20125 9.148113 -3.317265 
12.65041 
1 1 1 15  -17 19 o 20.63911 6.532673  55.46483       120.3774 -52.58863      
197.0808 119.7673       152.0333 19.07739 9.066696 22.20083 9.407353 -3.123438 
13.06535 
1 1 1 15  -16 0  o 56.44667 4.435315  684.5158       103.2231 691.6499       
134.3774 674.2468       161.2206 56.92069 5.623116 55.97264 6.860658 0.9480438 
8.870629 
1 1 1 15  -16 1  o 118.7037 4.753684  2995.039       236.9046 2995.039       
236.9046 0.000000       0.000000 118.7037 4.753684 ?        ?        ? ? 
1 1 1 15  -16 2  o 19.47058 6.036841  -23.18909      93.42693 -33.05638      
122.7104 -9.581220      144.1045 18.25884 8.082032 20.68232 8.969646 -2.423477 
12.07368 
1 1 1 15  -16 3  o 35.72172 6.453484  298.7621       98.67418 360.6883       
131.6631 219.4118       149.0395 39.98877 8.125006 31.45466 10.02866 8.534109 
12.90697 
1 1 1 15  -16 4  o 91.55194 3.796889  1807.684       143.9819 1901.404       
191.8727 1686.891       217.8307 94.45044 4.838719 88.65343 5.852542 5.797005 
7.593777 
1 1 1 15  -16 5  o 21.31478 6.260472  29.27876       91.84802 0.6813698      
121.4930 67.42398       140.3163 19.31003 8.303028 23.31952 9.371967 -4.009485 
12.52094 
1 1 1 15  -16 6  o 27.34858 6.598878  134.1871       98.11834 30.23886       
132.9907 258.3581       145.3525 21.24850 8.890532 33.44866 9.753934 -12.20016 
13.19776 
1 1 1 15  -16 7  o 32.13194 6.570393  240.2533       93.60748 257.0579       
124.6599 218.5281       141.7409 33.30635 8.786902 30.95753 9.770906 2.348822 
13.14079 
1 1 1 15  -16 8  o 41.66820 5.797315  397.7961       97.29428 388.7600       
130.4716 409.1154       146.0287 41.27631 7.813078 42.06009 8.566869 
-0.7837715     11.59463 
1 1 1 15  -16 9  o 20.78077 6.470914  -27.60265      113.5464 -209.7411      
200.7729 58.04764       137.6793 19.14503 9.123673 22.41650 9.178754 -3.271465 
12.94183 
1 1 1 15  -16 10 o 65.23929 5.086456  935.2060       137.0212 1023.197       
217.6749 877.4584       176.3421 67.47673 7.683790 63.00184 6.666896 4.474888 
10.17291 
1 1 1 15  -16 11 o 81.19077 5.053115  1481.368       171.3657 1439.941       
252.8929 1516.540       233.0204 79.84177 7.544448 82.53976 6.724374 -2.697990 
10.10623 
1 1 1 15  -16 12 o 23.16439 6.687336  28.47998       107.7738 184.0114       
169.8162 -76.41422      139.4588 28.68774 10.62611 17.64104 8.122042 11.04669 
13.37467 
1 1 1 15  -16 13 o 26.77833 7.438812  140.5620       126.5089 47.17237       
200.9077 201.9204       162.8486 24.42011 10.59082 29.13655 10.44884 -4.716436 
14.87762 
1 1 1 15  -16 14 o 47.20371 6.944251  549.5200       128.0674 620.0367       
217.9274 512.3209       158.2823 48.52005 10.95657 45.88737 8.534869 2.632687 
13.88850 
1 1 1 15  -16 15 o 35.53022 6.873198  304.2845       124.9158 580.1958       
184.1782 69.24839       169.9890 47.75879 9.522963 23.30164 9.913453 24.45715 
13.74640 
1 1 1 15  -16 16 o 25.43447 6.931909  128.3500       117.1023 -32.67901      
181.1582 243.9290       153.4779 20.60964 9.396285 30.25931 10.19388 -9.649673 
13.86382 
1 1 1 15  -16 17 o 60.19351 5.890782  899.2144       146.1679 884.0771       
226.1270 910.0786       191.5698 58.79412 9.160929 61.59290 7.408282 -2.798775 
11.78156 
1 1 1 15  -16 18 o 20.68061 6.606791  7.102986       123.2572 -118.7229      
215.1344 68.58775       150.3864 19.76855 9.426586 21.59266 9.259493 -1.824106 
13.21358 
1 1 1 15  -16 19 o 28.65199 7.609479  256.2553       122.6873 264.3996       
197.8848 251.1699       156.3678 28.60250 11.25492 28.70148 10.24419 
-0.9898186E-01 15.21896 
1 1 1 15  -16 20 o 23.72372 7.146266  103.9581       124.8225 310.1185       
206.4053 -14.91006      156.7295 29.06937 11.47687 18.37807 8.518098 10.69130 
14.29253 
1 1 1 15  -15 0  o 100.6456 3.880834  2128.055       162.0127 1994.414       
210.7587 2321.098       253.3050 96.90232 5.180510 104.3888 5.779776 -7.486481 
7.761668 
1 1 1 15  -15 1  o 31.48348 6.569923  194.3268       96.74860 98.08149       
124.3364 342.0307       154.0298 24.15510 9.063454 38.81186 9.513641 -14.65675 
13.13985 
1 1 1 15  -15 2  o 83.07858 5.928641  1473.723       206.7869 0.000000       
0.000000 1473.723       206.7869 ?        ?        83.07858 5.928641 ? ? 
1 1 1 15  -15 3  o 139.6380 4.802543  4247.884       260.9400 4350.690       
317.1488 4032.454       459.0970 142.9326 5.285094 136.3434 8.020316 6.589279 
9.605086 
1 1 1 15  -15 4  o 46.04478 5.366235  454.7314       100.3415 375.3209       
131.6295 564.8922       155.0344 40.94477 7.940717 51.14481 7.220174 -10.20004 
10.73247 
1 1 1 15  -15 5  o 100.4103 4.466051  2187.359       183.3172 2269.216       
236.6898 2064.647       289.7979 103.0689 5.469820 97.75181 7.061410 5.317047 
8.932102 
1 1 1 15  -15 6  f 29.39326 6.785079  188.7766       96.24790 204.0492       
126.3856 167.6904       148.5041 30.18921 9.167460 28.59730 10.00534 1.591909 
13.57016 
1 1 1 15  -15 7  o 118.9469 3.822891  3050.256       187.0440 3139.998       
243.6372 2921.442       291.8955 121.3482 4.782239 116.5455 5.965583 4.802689 
7.645783 
1 1 1 15  -15 8  f 73.54666 4.660917  1167.907       142.4816 1209.603       
218.9127 1137.262       187.6741 74.53127 6.996060 72.56207 6.160497 1.969200 
9.321834 
1 1 1 15  -15 9  o 64.36557 5.033309  906.6107       135.8146 921.4878       
198.1197 893.4211       186.5443 64.80090 7.282284 63.93024 6.950189 0.8706627 
10.06662 
1 1 1 15  -15 10 o 65.34654 5.455276  971.0605       143.4070 849.9059       
229.0759 1049.142       183.9013 61.32347 8.897620 69.36961 6.314466 -8.046146 
10.91055 
1 1 1 15  -15 11 o 28.77769 7.322922  179.2637       116.1643 77.37757       
197.5186 233.1389       143.6300 26.08185 10.86872 31.47354 9.816909 -5.391684 
14.64584 
1 1 1 15  -15 12 o 19.53756 6.291817  -80.84792      115.2757 -10.62947      
166.4618 -145.5518      159.7917 21.49120 9.475698 17.58392 8.280034 3.907278 
12.58363 
1 1 1 15  -15 13 o 56.27905 5.530730  721.5574       128.5876 724.9032       
199.9616 719.1982       167.9097 55.98144 8.507925 56.57665 7.069025 
-0.5952072     11.06146 
1 1 1 15  -15 14 o 41.75488 7.392950  418.1031       126.7313 574.9753       
210.5033 328.9199       158.7185 47.41708 10.81041 36.09267 10.08751 11.32441 
14.78590 
1 1 1 15  -15 15 o 33.26433 7.955546  290.1062       131.8122 268.3654       
206.5433 305.0449       171.2100 32.32973 11.75016 34.19893 10.72831 -1.869198 
15.91109 
1 1 1 15  -15 16 o 35.35561 6.930117  273.6800       130.6383 616.2751       
198.1975 10.49684       173.7147 48.98941 9.982570 21.72181 9.615320 27.26760 
13.86023 
1 1 1 15  -15 17 o 54.15703 6.050256  693.5195       134.8881 845.7994       
218.6728 599.9874       171.3775 58.47685 8.907006 49.83720 8.190704 8.639645 
12.10051 
1 1 1 15  -15 18 o 36.74357 7.808749  367.0657       128.9256 508.8570       
208.7556 279.6367       163.9234 41.79523 11.52903 31.69190 10.53507 10.10333 
15.61750 
1 1 1 15  -15 19 o 29.25811 7.623858  228.6720       123.3385 337.2556       
194.1093 155.1469       159.7283 33.21633 11.45632 25.29988 10.06208 7.916449 
15.24772 
1 1 1 15  -15 20 o 28.75508 7.758974  259.0360       138.4669 140.9842       
222.7117 333.4233       176.7895 25.04404 11.00490 32.46613 10.94070 -7.422081 
15.51795 
1 1 1 15  -15 21 o 21.42588 6.875625  59.30556       136.0801 -23.23612      
224.1696 107.4709       171.2409 20.57965 9.728092 22.27212 9.719110 -1.692461 
13.75125 
1 1 1 15  -14 0  o 47.73144 5.300912  475.0158       104.0919 427.9468       
132.2154 551.7559       168.8205 44.75881 7.035979 50.70407 7.930554 -5.945259 
10.60182 
1 1 1 15  -14 1  o 94.28412 3.732713  1911.028       142.9029 1995.410       
182.7921 1778.391       229.1739 97.13286 4.482417 91.43538 5.969967 5.697479 
7.465425 
1 1 1 15  -14 2  o 89.14590 3.644693  1659.038       129.7376 1602.114       
159.1782 1771.684       223.9187 87.03639 4.356159 91.25542 5.844573 -4.219025 
7.289386 
1 1 1 15  -14 3  o 31.15340 6.741093  203.6319       96.19050 155.9532       
124.9964 272.8705       150.6292 27.46235 9.199531 34.84444 9.855859 -7.382082 
13.48219 
1 1 1 15  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  -14 5  o 81.70586 4.434274  1449.746       144.6396 1502.121       
180.7278 1356.429       241.2364 84.04856 5.121720 79.36316 7.240105 4.685402 
8.868547 
1 1 1 15  -14 6  o 31.11270 7.004863  188.6977       101.5708 125.6479       
126.0653 305.3545       171.4783 25.64678 9.193750 36.57862 10.57106 -10.93184 
14.00973 
1 1 1 15  -14 7  o 77.62067 4.824674  1309.543       155.6608 1196.287       
230.2357 1404.902       211.2615 74.33146 7.377702 80.90987 6.219278 -6.578407 
9.649347 
1 1 1 15  -14 8  o 84.19556 4.805356  1473.109       166.4342 1853.882       
270.0635 1239.932       211.3373 92.58018 6.948147 75.81095 6.639956 16.76923 
9.610711 
1 1 1 15  -14 9  o 104.2835 5.330770  2370.050       229.7101 2391.417       
358.1696 2355.121       299.3928 104.3318 8.176981 104.2352 6.841446 
0.9661102E-01  10.66154 
1 1 1 15  -14 10 o 93.62787 4.701875  1883.444       182.2380 2023.062       
286.2862 1788.329       236.2959 96.30491 7.080648 90.95083 6.188290 5.354080 
9.403749 
1 1 1 15  -14 11 o 25.18850 7.236907  63.08909       115.6087 152.0037       
197.1523 16.49268       142.7222 29.12965 11.28519 21.24735 9.062881 7.882305 
14.47381 
1 1 1 15  -14 12 o 23.24569 6.762681  12.17631       110.3124 162.9776       
174.8656 -87.50648      142.1712 28.64316 10.74827 17.84822 8.210365 10.79494 
13.52536 
1 1 1 15  -14 13 o 37.32449 6.946795  349.3016       113.3018 241.2772       
177.1010 424.1494       147.4178 32.08862 10.95034 42.56037 8.551138 -10.47175 
13.89359 
1 1 1 15  -14 14 o 36.11485 7.609921  322.2467       124.0569 372.9562       
183.5327 279.5868       168.3366 38.52180 10.87378 33.70789 10.64915 4.813919 
15.21984 
1 1 1 15  -14 15 o 41.61110 7.005955  463.2260       126.5204 266.9258       
208.2740 578.0299       159.2770 32.86996 11.81375 50.35224 7.534515 -17.48228 
14.01191 
1 1 1 15  -14 16 o 42.30653 7.499804  483.6119       135.4173 353.6097       
214.5334 569.7168       174.5956 36.22287 12.05214 48.39021 8.929396 -12.16734 
14.99961 
1 1 1 15  -14 17 o 43.69067 7.547808  490.4489       133.5745 564.4008       
221.3171 448.0759       167.5273 45.48753 11.56078 41.89381 9.707006 3.593712 
15.09562 
1 1 1 15  -14 18 o 22.99926 7.084646  48.80746       127.9817 -22.69661      
214.9228 88.09260       159.3057 22.53885 10.26474 23.45967 9.767495 
-0.9208202     14.16929 
1 1 1 15  -14 19 o 36.33063 7.742851  324.5279       137.9761 635.5507       
226.1069 139.9960       174.1620 47.15533 11.50669 25.50593 10.36354 21.64939 
15.48570 
1 1 1 15  -14 20 o 23.78524 7.275899  89.81755       128.8157 111.6092       
216.3155 77.84364       160.3470 25.11584 10.94217 22.45464 9.592896 2.661194 
14.55180 
1 1 1 15  -14 21 o 62.32064 6.250843  1020.968       161.9339 1074.427       
248.1929 981.3434       213.6810 62.89232 9.399674 61.74897 8.242468 1.143349 
12.50169 
1 1 1 15  -14 22 o 24.50885 7.501055  165.3958       142.0659 146.3932       
199.9218 184.7795       201.9163 23.94020 10.47378 25.07750 10.74073 -1.137302 
15.00211 
1 1 1 15  -13 0  o 82.61170 3.733299  1468.395       127.0981 1615.760       
170.1768 1282.508       191.1299 87.45452 4.634888 77.76888 5.853880 9.685638 
7.466599 
1 1 1 15  -13 1  o 58.60148 4.699865  763.5286       110.1607 889.9582       
144.2005 586.3287       170.7161 64.83395 5.297677 52.36902 7.764634 12.46493 
9.399730 
1 1 1 15  -13 2  o 108.9495 4.412271  2410.996       180.8120 2281.510       
210.3670 2777.156       353.7540 103.8676 4.824126 114.0315 7.389204 -10.16389 
8.824541 
1 1 1 15  -13 3  o 61.19328 4.354387  781.0803       109.7309 723.7720       
140.0434 872.2199       176.6068 58.39548 5.712213 63.99107 6.573687 -5.595589 
8.708774 
1 1 1 15  -13 4  o 54.19607 5.606819  699.2928       112.9282 914.6169       
149.3568 411.8952       172.5520 65.65402 5.418569 42.73811 9.817575 22.91591 
11.21364 
1 1 1 15  -13 5  o 71.39861 5.110785  1088.401       152.1764 1126.876       
230.4534 1058.652       202.6396 72.44090 7.577401 70.35633 6.860285 2.084564 
10.22157 
1 1 1 15  -13 6  o 38.57228 10.80832  338.3010       181.9817 338.3010       
181.9817 0.000000       0.000000 38.57228 10.80832 ?        ?        ? ? 
1 1 1 15  -13 7  f 72.40338 5.121392  1143.369       153.0101 1027.041       
231.2145 1234.005       204.0925 68.88684 7.994658 75.91992 6.403130 -7.033081 
10.24278 
1 1 1 15  -13 8  o 27.59335 7.505023  125.0399       119.7422 77.74954       
207.7656 148.5604       146.5247 27.50417 11.27100 27.68253 9.912921 
-0.1783581     15.01005 
1 1 1 15  -13 9  o 68.54538 4.874150  998.2943       137.4945 1090.000       
220.9138 940.3084       175.6652 70.92961 7.418503 66.16115 6.324173 4.768463 
9.748301 
1 1 1 15  -13 10 o 49.76374 6.248534  560.9505       124.9978 515.4365       
192.3130 594.2434       164.4796 47.26017 9.999681 52.26732 7.495539 -5.007153 
12.49707 
1 1 1 15  -13 11 o 105.1250 4.665382  2379.111       205.1201 2549.001       
306.8872 2241.927       275.7689 108.4269 6.741599 101.8232 6.450891 6.603699 
9.330764 
1 1 1 15  -13 12 o 17.86006 5.937783  -149.5472      110.3090 -108.1595      
176.6911 -175.9810      141.2079 19.90758 9.155725 15.81254 7.563186 4.095037 
11.87557 
1 1 1 15  -13 13 o 82.24058 4.780977  1495.154       160.7281 1414.322       
253.8180 1549.266       207.6714 79.93718 7.563011 84.54398 5.850798 -4.606796 
9.561954 
1 1 1 15  -13 14 o 75.12402 5.405158  1183.408       164.6279 1591.477       
281.0333 970.2195       203.1292 84.18803 7.951124 66.06001 7.324109 18.12802 
10.81032 
1 1 1 15  -13 15 o 43.28146 7.492370  414.8027       134.6511 702.8295       
229.7646 264.1375       166.1779 53.55789 10.59530 33.00502 10.59633 20.55287 
14.98474 
1 1 1 15  -13 16 o 27.70224 7.588246  121.3908       141.4261 -78.84067      
214.7833 274.6561       187.9127 22.17042 10.15361 33.23405 11.27963 -11.06362 
15.17649 
1 1 1 15  -13 17 o 64.67181 6.079964  957.0338       162.6118 1206.499       
255.2802 786.6929       210.9460 71.65010 8.486358 57.69353 8.708938 13.95657 
12.15993 
1 1 1 15  -13 18 o 64.03045 6.301720  1023.343       156.6403 746.6193       
230.2060 1261.926       213.7534 53.74809 10.57861 74.31281 6.851261 -20.56471 
12.60344 
1 1 1 15  -13 19 o 27.98709 7.684004  133.3523       132.0981 344.4196       
219.2263 13.02955       165.5221 34.70715 12.15522 21.26704 9.403522 13.44011 
15.36801 
1 1 1 15  -13 20 o 28.16879 7.606839  196.1736       125.2185 258.9013       
188.6556 146.7770       167.4128 30.64502 11.22079 25.69255 10.27375 4.952471 
15.21368 
1 1 1 15  -13 21 o 30.39107 7.784181  259.4016       128.2998 327.9084       
192.7526 204.9053       171.9164 33.07450 11.41537 27.70763 10.58599 5.366863 
15.56836 
1 1 1 15  -13 22 o 41.10336 7.942086  549.7090       146.1556 428.7276       
239.3693 621.6237       184.5515 34.79865 12.64927 47.40808 9.607436 -12.60943 
15.88417 
1 1 1 15  -13 23 o 32.21115 8.855671  340.1876       177.1727 121.5514       
220.4490 739.0244       297.7452 23.59749 10.61449 40.82482 14.17830 -17.22733 
17.71134 
1 1 1 15  -12 0  o 245.7438 7.955277  13149.75       787.6888 13244.01       
987.8298 12985.16       1305.287 248.1475 9.481853 243.3401 12.77655 4.807434 
15.91055 
1 1 1 15  -12 1  o 61.67406 4.451827  847.3282       109.0116 977.4858       
140.8051 652.5878       172.2311 68.01048 4.931324 55.33765 7.413304 12.67282 
8.903653 
1 1 1 15  -12 2  o 168.7963 4.914617  5945.164       329.5299 5712.698       
401.6829 6423.629       576.2738 164.1840 5.827382 173.4086 7.915520 -9.224518 
9.829234 
1 1 1 15  -12 3  o 35.42131 6.811679  245.7772       99.35184 180.8274       
119.1706 393.8100       179.9115 28.98271 8.922415 41.85991 10.29497 -12.87720 
13.62336 
1 1 1 15  -12 4  o 70.42616 4.161308  1058.899       117.0495 1074.955       
145.3828 1029.314       197.3443 71.30639 4.856303 69.54594 6.758866 1.760445 
8.322617 
1 1 1 15  -12 5  o 164.0015 5.627172  5792.266       372.1146 5876.719       
467.6898 5646.569       614.2892 166.1159 6.706064 161.8871 9.038197 4.228836 
11.25434 
1 1 1 15  -12 6  o 90.92490 4.768920  1796.299       178.2929 1545.673       
268.2469 1994.641       238.6319 84.96120 7.520301 96.88860 5.866469 -11.92741 
9.537840 
1 1 1 15  -12 7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  -12 8  o 111.6655 4.330496  2605.470       199.0168 2934.669       
321.2898 2400.521       253.5080 117.1451 6.532718 106.1860 5.686508 10.95912 
8.660992 
1 1 1 15  -12 9  o 83.42334 4.948273  1445.683       168.2811 1706.963       
281.1588 1299.837       210.0618 88.94325 7.529389 77.90343 6.422609 11.03982 
9.896545 
1 1 1 15  -12 10 o 28.12964 7.525724  136.7551       122.0263 104.4706       
186.7103 160.8274       161.2239 27.44027 10.88966 28.81902 10.39045 -1.378746 
15.05145 
1 1 1 15  -12 11 o 152.5957 5.099376  5008.173       323.3746 5275.878       
498.8856 4814.194       424.6685 155.8130 7.626380 149.3784 6.771475 6.434570 
10.19875 
1 1 1 15  -12 12 o 35.64291 7.657662  292.5727       127.0188 224.6685       
183.9523 354.4519       175.6019 32.31953 11.15203 38.96629 10.49721 -6.646759 
15.31532 
1 1 1 15  -12 13 o 77.61342 5.136095  1334.170       164.6151 1103.800       
238.1713 1544.873       227.7780 70.77691 8.015285 84.44993 6.424415 -13.67302 
10.27219 
1 1 1 15  -12 14 o 32.45935 7.484951  224.6076       119.8381 342.7591       
183.9192 137.4365       157.9769 37.83731 10.95204 27.08140 10.20543 10.75591 
14.96990 
1 1 1 15  -12 15 o 106.8296 5.199098  2528.401       232.0784 2862.900       
334.7762 2218.922       322.0125 113.8920 7.001363 99.76717 7.687872 14.12479 
10.39820 
1 1 1 15  -12 16 o 61.10452 6.393622  886.4558       154.7435 766.8315       
237.5470 974.6393       203.9546 56.21316 10.45605 65.99589 7.361016 -9.782726 
12.78724 
1 1 1 15  -12 17 o 22.32435 7.023347  -40.56725      130.1856 75.66409       
209.9192 -113.2104      165.9540 26.04885 11.04683 18.59985 8.676236 7.449007 
14.04669 
1 1 1 15  -12 18 o 67.52027 5.585240  1032.385       156.5439 1269.128       
240.1376 857.4283       206.4375 74.27000 7.701367 60.77054 8.091266 13.49946 
11.17048 
1 1 1 15  -12 19 o 35.07344 7.485007  338.5327       136.9923 105.7287       
223.6299 478.3704       173.3192 26.69978 11.36517 43.44709 9.743425 -16.74732 
14.97001 
1 1 1 15  -12 20 o 35.22857 7.919499  340.1381       131.3148 371.4910       
193.5860 313.4163       178.7182 36.52802 11.39767 33.92912 10.99850 2.598904 
15.83900 
1 1 1 15  -12 21 o 26.42830 7.359735  143.3915       129.6604 7.228211       
189.6614 262.8693       177.6612 21.93675 9.857677 30.91986 10.93110 -8.983105 
14.71947 
1 1 1 15  -12 22 o 25.87140 7.594324  104.0832       137.0573 296.4044       
222.8559 -12.90804      173.8151 31.35624 12.03157 20.38655 9.270190 10.96969 
15.18865 
1 1 1 15  -12 23 o 25.07547 7.299298  124.4203       135.1015 279.3954       
188.5815 -38.98705      193.6439 30.01184 11.18159 20.13910 9.385686 9.872734 
14.59860 
1 1 1 15  -12 24 o 42.16056 8.172571  596.2930       148.4255 572.4275       
199.7917 625.6871       221.7287 41.84006 11.16340 42.48106 11.93911 
-0.6410027     16.34514 
1 1 1 15  -11 0  o 196.8292 5.926985  8326.884       462.5902 8413.240       
569.7111 8159.774       792.5210 198.9527 6.820652 194.7058 9.695117 4.246933 
11.85397 
1 1 1 15  -11 1  o 89.68923 3.674051  1665.226       131.3362 1592.201       
160.4709 1813.387       228.5745 86.86505 4.400200 92.51341 5.884968 -5.648361 
7.348103 
1 1 1 15  -11 2  o 201.2314 5.769144  8664.128       460.8068 8688.232       
566.9360 8617.200       791.0305 202.2301 6.677428 200.2325 9.409784 1.997604 
11.53829 
1 1 1 15  -11 3  o 48.84303 5.169700  478.1485       99.10215 330.2421       
123.9456 740.2942       165.0096 38.65492 7.910318 59.03113 6.658082 -20.37621 
10.33940 
1 1 1 15  -11 4  o 80.14232 4.589046  1357.495       154.0357 1248.980       
210.0191 1483.825       226.6038 76.68770 6.523102 83.59694 6.456511 -6.909241 
9.178093 
1 1 1 15  -11 5  o 133.6714 4.922951  3782.510       258.9240 3745.882       
314.7751 3859.148       455.3178 132.9870 5.637832 134.3558 8.071967 -1.368729 
9.845902 
1 1 1 15  -11 6  o 28.75296 7.274983  143.1179       114.0725 224.7716       
166.9586 71.62855       156.2218 32.63176 10.63216 24.87416 9.932712 7.757601 
14.54997 
1 1 1 15  -11 7  o 73.48394 4.674509  1158.583       142.9482 1010.696       
205.7860 1296.485       198.7177 68.83463 7.120820 78.13326 6.057894 -9.298630 
9.349018 
1 1 1 15  -11 8  o 103.3043 4.577458  2280.874       197.8026 2468.367       
277.2726 2086.569       282.2646 107.7195 6.131032 98.88912 6.798747 8.830414 
9.154917 
1 1 1 15  -11 9  o 100.9329 7.471092  2186.385       316.5891 2186.385       
316.5891 0.000000       0.000000 100.9329 7.471092 ?        ?        ? ? 
1 1 1 15  -11 10 o 139.7245 5.674229  4189.577       327.6848 4381.521       
515.0229 4059.025       424.7479 142.0810 8.633992 137.3680 7.364895 4.712952 
11.34846 
1 1 1 15  -11 11 o 76.08987 4.780477  1244.017       152.3311 1242.788       
223.3179 1245.086       208.3206 75.99181 6.999674 76.18795 6.512789 
-0.1961441     9.560954 
1 1 1 15  -11 12 o 89.76703 4.788346  1741.751       179.8110 1621.328       
258.7649 1854.192       250.0417 86.63745 7.114113 92.89660 6.411116 -6.259148 
9.576692 
1 1 1 15  -11 13 o 46.53255 6.812720  488.3965       128.0558 580.7790       
195.7158 419.2424       169.3324 50.41594 9.592245 42.64917 9.676850 7.766762 
13.62544 
1 1 1 15  -11 14 o 128.1708 5.690002  3602.351       299.3119 3562.506       
384.3670 3663.737       477.0829 127.8812 7.159135 128.4604 8.845975 
-0.5792160     11.38000 
1 1 1 15  -11 15 o 32.71769 8.161608  234.4571       141.8415 168.2908       
213.8932 286.3937       189.5026 30.38919 11.75840 35.04619 11.32199 -4.656998 
16.32322 
1 1 1 15  -11 16 o 63.33617 5.345924  893.2993       141.1646 775.4671       
198.9894 1012.678       200.2906 58.88751 8.048740 67.78484 7.037995 -8.897335 
10.69185 
1 1 1 15  -11 17 o 45.26296 7.050497  446.8230       146.1801 892.0098       
230.3911 146.8353       189.1238 62.38988 8.795743 28.13604 11.02148 34.25384 
14.10099 
1 1 1 15  -11 18 o 35.98809 7.892169  289.3086       133.5907 496.5965       
220.6546 169.3631       167.8487 43.80937 11.75130 28.16682 10.53814 15.64255 
15.78434 
1 1 1 15  -11 19 o 77.63834 5.439610  1379.363       176.9242 1469.227       
260.8755 1302.829       240.7515 79.89681 7.777229 75.37986 7.607374 4.516953 
10.87922 
1 1 1 15  -11 20 o 49.57183 6.710140  600.2135       135.9637 772.1604       
203.0427 460.4336       183.0682 57.01730 8.482070 42.12636 10.39992 14.89094 
13.42028 
1 1 1 15  -11 21 o 28.63304 7.546663  200.5504       126.0032 116.5811       
192.3510 263.6674       166.7659 25.70193 10.71897 31.56415 10.62602 -5.862225 
15.09333 
1 1 1 15  -11 22 o 24.91608 7.493471  91.71478       131.2491 177.1740       
222.5249 46.12468       162.5303 27.92023 11.57923 21.91193 9.514717 6.008295 
14.98694 
1 1 1 15  -11 23 o 33.34036 7.939787  326.8257       136.2307 231.8144       
192.6696 421.8169       192.6491 28.93411 11.16716 37.74660 11.28962 -8.812487 
15.87957 
1 1 1 15  -11 24 o 17.57441 5.986557  -163.8973      132.2072 -96.66383      
186.3540 -232.0259      187.5905 18.65221 8.841817 16.49660 8.073271 2.155609 
11.97311 
1 1 1 15  -11 25 o 26.31839 8.321050  220.4189       199.3150 -1.792339      
368.8499 312.0647       236.8770 23.80027 11.58029 28.83651 11.95226 -5.036243 
16.64210 
1 1 1 15  -10 0  o 119.0351 3.366366  2995.393       167.9778 3193.657       
238.0309 2798.702       237.0849 122.9852 4.610007 115.0851 4.906885 7.900085 
6.732732 
1 1 1 15  -10 1  o 24.52376 6.466418  79.83015       89.10589 28.37620       
112.5124 166.3996       145.9397 20.10402 8.275675 28.94350 9.938384 -8.839479 
12.93284 
1 1 1 15  -10 2  o 54.56031 4.386901  601.4563       98.06350 485.3803       
123.8214 796.7639       160.6143 47.83781 6.165174 61.28280 6.242615 -13.44498 
8.773803 
1 1 1 15  -10 3  o 76.00044 4.876256  1232.969       154.6930 1174.727       
228.0565 1282.604       210.5308 74.27113 7.313809 77.72975 6.451331 -3.458626 
9.752512 
1 1 1 15  -10 4  o 124.0611 4.890241  3289.978       244.5155 3337.042       
306.9861 3208.305       404.4027 125.5104 5.825863 122.6118 7.856026 2.898598 
9.780482 
1 1 1 15  -10 5  o 132.4873 5.178178  3709.995       278.8309 3628.508       
350.9813 3849.414       459.0923 130.7546 6.393639 134.2200 8.147116 -3.465393 
10.35636 
1 1 1 15  -10 6  o 63.50684 4.957857  860.7858       131.4111 828.9382       
194.5641 887.5012       178.1990 62.37138 7.430164 64.64230 6.566129 -2.270924 
9.915714 
1 1 1 15  -10 7  o 51.51254 5.557363  562.5817       119.7466 626.6664       
178.1494 509.7635       161.7328 54.17203 7.833041 48.85306 7.885467 5.318966 
11.11473 
1 1 1 15  -10 8  o 37.77007 6.929554  326.4056       118.8365 153.3828       
176.6266 469.5076       160.6302 29.46032 10.85032 46.07983 8.622378 -16.61950 
13.85911 
1 1 1 15  -10 9  o 93.36555 4.821039  1866.423       187.9213 1748.814       
274.9713 1969.496       257.4180 90.50430 7.236679 96.22682 6.371825 -5.722527 
9.642078 
1 1 1 15  -10 10 o 72.49041 6.628495  1121.087       201.7318 0.000000       
0.000000 1121.087       201.7318 ?        ?        72.49041 6.628495 ? ? 
1 1 1 15  -10 11 o 89.34735 4.990143  1650.887       181.7713 1964.128       
303.8952 1476.389       226.8191 95.57285 7.573739 83.12184 6.499583 12.45101 
9.980286 
1 1 1 15  -10 12 o 127.0801 4.984604  3396.919       252.8804 3715.629       
438.4636 3238.068       309.5510 131.0315 7.970379 123.1287 5.988168 7.902771 
9.969208 
1 1 1 15  -10 13 o 89.06458 4.767636  1714.672       176.5764 1643.586       
265.3514 1771.166       236.5555 87.23168 7.245497 90.89746 6.198726 -3.665779 
9.535273 
1 1 1 15  -10 14 o 105.6178 4.777756  2430.239       209.1198 2237.983       
314.0500 2583.393       280.2996 101.5555 7.365737 109.6800 6.087178 -8.124451 
9.555512 
1 1 1 15  -10 15 o 52.10525 6.422711  591.8229       133.0968 905.4852       
207.2905 371.8057       173.6107 64.34476 7.673390 39.86573 10.30165 24.47903 
12.84542 
1 1 1 15  -10 16 o 46.59575 7.189990  513.3256       136.8090 464.0924       
198.5677 557.8148       188.7589 44.12266 10.79348 49.06883 9.501824 -4.946171 
14.37998 
1 1 1 15  -10 17 o 26.80025 7.655328  103.6186       133.0712 99.00770       
181.7337 108.9485       195.3896 26.32627 10.63038 27.27425 11.01868 
-0.9479809     15.31066 
1 1 1 15  -10 18 o 32.45615 7.981624  246.4296       133.5179 215.4037       
201.4757 270.7252       178.2890 31.33272 11.58064 33.57957 10.98700 -2.246855 
15.96325 
1 1 1 15  -10 19 o 89.21809 4.855648  1764.566       181.1792 1945.276       
270.8028 1618.128       243.7753 93.28495 6.914529 85.15124 6.818985 8.133713 
9.711296 
1 1 1 15  -10 20 o 37.35454 7.668033  300.8475       132.4723 601.8804       
226.5196 144.3768       163.3110 48.09549 11.38126 26.61358 10.27920 21.48191 
15.33607 
1 1 1 15  -10 21 o 19.42781 6.360401  -93.40539      121.0792 -22.64518      
187.4284 -144.0843      158.6187 21.68286 9.768380 17.17277 8.148468 4.510094 
12.72080 
1 1 1 15  -10 22 o 26.71739 7.507086  152.3799       130.6116 36.76498       
222.3488 213.2922       161.3915 24.38481 10.82549 29.04997 10.40356 -4.665165 
15.01417 
1 1 1 15  -10 23 o 28.08996 7.730477  195.4987       132.2596 153.0899       
187.4013 237.5850       186.6873 26.40283 10.74275 29.77709 11.11910 -3.374264 
15.46095 
1 1 1 15  -10 24 o 53.40482 7.304043  764.9843       156.0190 670.2834       
202.8512 902.1439       244.1259 49.64679 10.08304 57.16286 10.57017 -7.516075 
14.60809 
1 1 1 15  -10 25 o 26.72609 8.036423  190.9253       149.2905 202.8960       
170.6781 151.9387       308.0177 26.78367 10.47460 26.66851 12.19094 0.1151600 
16.07285 
1 1 1 15  -10 26 o 27.26619 8.636888  262.2635       211.5844 111.0653       
309.2326 395.3593       290.1310 24.41704 11.50376 30.11533 12.88591 -5.698294 
17.27378 
1 1 1 15  -9  0  o 105.6748 3.900406  2380.730       167.4403 2436.580       
212.9999 2290.391       270.8981 107.4215 4.722904 103.9280 6.208611 3.493538 
7.800812 
1 1 1 15  -9  1  o 125.7432 4.262365  3379.912       218.9939 3484.382       
281.7628 3220.513       348.0409 128.3682 5.228139 123.1182 6.733319 5.250046 
8.524731 
1 1 1 15  -9  2  o 140.3689 3.773750  4133.968       212.9874 4051.987       
264.2694 4285.919       359.7841 138.5473 4.543284 142.1904 6.026884 -3.643066 
7.547500 
1 1 1 15  -9  3  o 168.4499 5.219777  6052.335       367.1587 5976.226       
546.3615 6115.009       495.7952 167.3471 7.776479 169.5528 6.964958 -2.205719 
10.43955 
1 1 1 15  -9  4  o 139.2172 4.934393  4123.747       280.0421 4126.097       
356.0530 4119.936       453.4601 139.4911 6.079801 138.9433 7.773608 0.5477905 
9.868787 
1 1 1 15  -9  5  o 45.43295 6.149773  451.1734       114.8130 407.0461       
162.6305 495.0193       162.1111 42.72568 9.324333 48.14022 8.020949 -5.414543 
12.29955 
1 1 1 15  -9  6  o 130.1841 4.954028  3622.616       269.0509 3806.123       
366.6635 3408.547       396.0208 133.8869 6.523047 126.4811 7.457843 7.405800 
9.908055 
1 1 1 15  -9  7  o 83.35913 4.611353  1437.562       158.2976 1668.618       
255.8664 1294.283       201.4865 88.59306 6.879148 78.12521 6.142933 10.46786 
9.222706 
1 1 1 15  -9  8  o 65.19673 5.440614  905.3250       148.6230 928.3185       
218.2327 885.4359       202.9660 65.94176 7.882797 64.45170 7.500841 1.490059 
10.88123 
1 1 1 15  -9  9  o 94.51117 4.577597  1885.899       181.0803 1726.087       
245.4047 2076.917       268.2960 90.14062 6.484603 98.88171 6.462778 -8.741096 
9.155193 
1 1 1 15  -9  10 o 165.7723 6.173559  5903.354       398.6053 5903.081       
709.9348 5903.480       481.6989 165.0551 10.24497 166.4895 6.891440 -1.434387 
12.34712 
1 1 1 15  -9  11 o 174.7333 7.000764  6650.034       508.7000 6814.028       
680.0313 6441.665       766.5325 177.6237 9.119039 171.8429 10.62478 5.780731 
14.00153 
1 1 1 15  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  -9  13 o 90.41037 5.384506  1749.876       202.1596 1843.925       
312.8422 1682.446       264.8962 92.33539 8.070087 88.48535 7.130589 3.850037 
10.76901 
1 1 1 15  -9  14 o 65.43301 5.436674  914.2512       148.1729 1033.687       
227.6850 826.5076       195.1527 69.04462 7.854629 61.82141 7.518944 7.223209 
10.87335 
1 1 1 15  -9  15 o 45.78368 7.218672  479.4259       135.7504 591.5247       
200.0888 383.8208       184.7834 50.93256 9.706067 40.63480 10.68780 10.29776 
14.43734 
1 1 1 15  -9  16 o 87.01402 5.171131  1649.018       188.2473 1638.557       
277.3944 1657.948       256.2990 86.62149 7.627691 87.40656 6.984318 
-0.7850647     10.34226 
1 1 1 15  -9  17 o 44.32557 7.243767  454.5425       134.4622 634.3843       
200.7475 308.2043       181.0854 52.44103 9.464183 36.21010 10.96895 16.23093 
14.48753 
1 1 1 15  -9  18 o 23.89948 7.232619  25.37238       129.6521 -6.570175      
184.5501 56.50123       182.1843 22.96071 10.05402 24.83825 10.39999 -1.877541 
14.46524 
1 1 1 15  -9  19 o 53.14186 6.201058  633.2818       133.6544 770.2418       
212.5228 543.6712       171.9048 58.08977 8.714187 48.19395 8.824705 9.895817 
12.40212 
1 1 1 15  -9  20 o 49.95274 6.727364  546.8728       134.5440 865.0007       
226.5994 373.6516       167.2086 61.05118 8.840684 38.85430 10.14258 22.19688 
13.45473 
1 1 1 15  -9  21 o 41.63097 7.505578  455.4785       133.0959 358.9840       
206.1133 524.4924       174.3105 36.90088 11.79646 46.36105 9.283232 -9.460171 
15.01116 
1 1 1 15  -9  22 o 29.47094 6.957736  188.7999       124.8547 -67.28127      
192.9298 373.3297       163.7736 20.87986 9.587894 38.06202 10.08527 -17.18216 
13.91547 
1 1 1 15  -9  23 o 38.31150 7.901775  404.7845       135.1313 430.1712       
191.3426 379.5237       190.8672 39.60750 11.07776 37.01550 11.27099 2.591999 
15.80355 
1 1 1 15  -9  24 o 19.50870 6.385806  -60.56142      122.8247 -83.61552      
191.0369 -44.31644      160.3625 19.84908 9.278296 19.16831 8.776520 0.6807766 
12.77161 
1 1 1 15  -9  25 o 23.78804 7.601105  58.63850       145.4609 75.05566       
165.3667 2.496132       305.8050 22.55087 9.691385 25.02521 11.71257 -2.474339 
15.20221 
1 1 1 15  -9  26 o 24.23491 8.070132  15.71895       214.3916 -97.99305      
304.8386 127.0120       301.5788 22.52809 10.85609 25.94173 11.94376 -3.413643 
16.14026 
1 1 1 15  -9  27 o 63.98576 11.77321  1911.427       318.0835 2004.974       
495.5265 1845.868       414.8304 60.69739 18.09662 67.27414 15.06474 -6.576752 
23.54643 
1 1 1 15  -8  0  o 165.3452 5.360951  5825.837       348.2831 5840.905       
424.1665 5794.654       610.1834 166.0734 6.083552 164.6169 8.828907 1.456512 
10.72190 
1 1 1 15  -8  1  o 55.99357 3.933265  644.9520       91.13915 553.9641       
117.5449 782.1052       144.3162 51.18446 5.469993 60.80268 5.653447 -9.618221 
7.866529 
1 1 1 15  -8  2  o 79.07222 4.534801  1309.195       149.4336 1551.465       
225.0307 1118.086       199.8629 85.55164 6.265195 72.59279 6.557823 12.95885 
9.069603 
1 1 1 15  -8  3  o 234.8444 7.402962  11905.54       728.3366 11871.40       
1064.155 11935.62       998.9790 234.3100 10.81770 235.3788 10.10904 -1.068832 
14.80592 
1 1 1 15  -8  4  o 20.38921 6.355846  -39.70316      106.0493 -49.35678      
154.8556 -31.17710      145.5311 20.44718 9.061265 20.33124 8.915190 0.1159401 
12.71169 
1 1 1 15  -8  5  o 120.5616 4.641461  3062.801       230.2049 2970.425       
295.3149 3205.871       367.5204 118.3888 5.941494 122.7343 7.132412 -4.345474 
9.282922 
1 1 1 15  -8  6  o 145.7877 5.805538  4540.649       354.6001 4488.137       
484.8943 4601.016       519.8937 144.9597 7.967478 146.6156 8.446085 -1.655899 
11.61108 
1 1 1 15  -8  7  o 210.8604 7.815711  9623.065       688.2822 9437.665       
923.6879 9854.521       1032.060 208.8953 10.53217 212.8256 11.55053 -3.930283 
15.63142 
1 1 1 15  -8  8  o 113.5683 4.304828  2714.874       204.4828 2440.671       
276.6630 3045.008       303.5712 107.2835 6.142418 119.8532 6.032982 -12.56972 
8.609655 
1 1 1 15  -8  9  o 55.31540 6.327565  702.4438       135.4200 518.9424       
210.7252 831.5425       176.7493 48.07416 10.71734 62.55663 6.729852 -14.48247 
12.65513 
1 1 1 15  -8  10 o 209.9503 7.264178  9645.451       619.1935 10055.81       
792.4292 9002.087       992.2224 216.5966 8.714248 203.3041 11.62476 13.29251 
14.52836 
1 1 1 15  -8  11 o 65.06299 5.440076  893.0412       147.4978 996.5417       
226.0565 816.3113       194.6383 68.27699 7.886127 61.84899 7.495780 6.427994 
10.88015 
1 1 1 15  -8  12 o 102.5531 5.015177  2249.328       215.1331 2028.938       
304.1077 2470.113       304.3806 97.43050 7.434531 107.6757 6.733183 -10.24519 
10.03035 
1 1 1 15  -8  13 o 120.3430 8.082432  3116.348       408.3586 0.000000       
0.000000 3116.348       408.3586 ?        ?        120.3430 8.082432 ? ? 
1 1 1 15  -8  14 o 39.96370 7.917460  377.5204       143.3122 232.2632       
228.1673 472.1639       184.1748 34.31607 12.36194 45.61134 9.895815 -11.29527 
15.83492 
1 1 1 15  -8  15 o 54.12476 6.216506  638.0549       141.0458 670.1055       
206.5612 610.0572       193.0603 55.37238 8.885392 52.87715 8.696529 2.495232 
12.43301 
1 1 1 15  -8  16 o 95.20848 4.739569  1957.213       185.3303 1934.416       
292.9973 1972.417       239.2798 94.48083 7.386539 95.93613 5.940800 -1.455299 
9.479138 
1 1 1 15  -8  17 o 34.61925 7.811800  261.3777       129.1834 353.6609       
196.6662 191.3410       171.3291 38.85021 11.35112 30.38828 10.73541 8.461929 
15.62360 
1 1 1 15  -8  18 o 119.4015 4.893661  3040.525       241.7849 3512.585       
383.6003 2729.363       311.4388 126.7343 7.209511 112.0687 6.619260 14.66559 
9.787321 
1 1 1 15  -8  19 o 32.97807 7.877695  236.2719       135.0520 354.9099       
195.4138 127.7952       186.8580 38.27549 11.35464 27.68065 10.92265 10.59484 
15.75539 
1 1 1 15  -8  20 o 41.48011 7.115743  388.5921       125.9442 630.0544       
200.8024 232.0052       161.7044 51.48604 9.646238 31.47418 10.46352 20.01186 
14.23149 
1 1 1 15  -8  21 o 36.59108 7.844239  345.1435       131.7369 275.7243       
220.8885 383.4658       164.1191 33.71757 12.16149 39.46460 9.910924 -5.747032 
15.68848 
1 1 1 15  -8  22 o 56.51299 6.612866  777.0565       150.5272 629.3810       
213.7860 922.2483       211.9806 49.88451 10.53448 63.14147 7.996549 -13.25696 
13.22573 
1 1 1 15  -8  23 o 57.10843 6.213654  759.4857       142.4911 1018.180       
224.5045 584.9772       184.3911 65.74039 8.134181 48.47647 9.395374 17.26393 
12.42731 
1 1 1 15  -8  24 o 24.01441 6.992141  98.88534       114.0794 78.62003       
161.0056 119.3161       161.6617 23.22855 9.753731 24.80027 10.02122 -1.571712 
13.98428 
1 1 1 15  -8  25 o 50.57039 8.185877  736.1354       163.2211 753.8812       
195.8696 695.8101       295.2634 55.29818 8.436790 45.84259 14.03050 9.455593 
16.37175 
1 1 1 15  -8  26 o 26.15405 8.403958  87.19316       205.4057 -24.35084      
306.1213 178.5426       277.0278 24.47841 11.50725 27.82969 12.25109 -3.351286 
16.80792 
1 1 1 15  -8  27 o 31.92202 9.434185  407.1822       209.4945 450.5681       
324.9427 376.3211       274.0548 32.46196 13.75415 31.38209 12.91661 1.079868 
18.86837 
1 1 1 15  -8  28 o 28.33485 8.871540  267.8270       192.1644 603.2551       
349.8079 122.8524       229.9725 33.18351 14.17237 23.48619 10.67524 9.697311 
17.74308 
1 1 1 15  -7  0  o 119.8750 3.649549  2989.781       164.8023 2935.889       
193.3392 3132.994       315.1757 118.0720 3.900263 121.6780 6.169665 -3.606003 
7.299097 
1 1 1 15  -7  1  o 196.9911 6.228567  8193.648       451.6192 8098.570       
523.8477 8468.890       891.2855 195.5602 6.380367 198.4221 10.69912 -2.861893 
12.45713 
1 1 1 15  -7  2  o 51.69365 4.891150  553.6548       103.8906 630.2607       
168.8388 506.9765       131.7949 54.46619 7.383569 48.92111 6.416874 5.545086 
9.782299 
1 1 1 15  -7  3  o 88.33809 4.596367  1652.916       170.1786 1524.207       
237.3309 1789.130       244.1518 84.77863 6.667897 91.89754 6.328154 -7.118912 
9.192735 
1 1 1 15  -7  4  o 163.2148 4.875388  5640.836       333.2104 5459.387       
452.4091 5855.970       492.6153 160.4003 6.718111 166.0293 7.067152 -5.628906 
9.750776 
1 1 1 15  -7  5  o 50.64706 5.801506  557.2029       119.9322 494.4492       
169.7458 619.7557       169.4739 47.33623 8.869164 53.95789 7.481162 -6.621662 
11.60301 
1 1 1 15  -7  6  o 69.76743 4.398898  1031.453       128.7794 1011.479       
178.6514 1053.059       185.8021 69.07156 6.160674 70.46329 6.280709 -1.391731 
8.797795 
1 1 1 15  -7  7  o 110.4080 5.229439  2596.411       242.3723 2629.756       
346.0533 2564.303       339.5710 111.0985 7.419176 109.7175 7.371836 1.381020 
10.45888 
1 1 1 15  -7  8  f 127.3635 5.313378  3472.846       278.3875 3535.825       
361.4097 3380.958       436.5473 128.9954 6.673390 125.7315 8.270055 3.263962 
10.62676 
1 1 1 15  -7  9  o 111.7859 4.994749  2607.247       229.1776 2898.232       
372.4103 2429.879       290.7524 116.5892 7.608243 106.9826 6.473384 9.606636 
9.989497 
1 1 1 15  -7  10 o 119.2271 4.756115  3013.347       231.9886 3051.698       
373.4421 2989.246       296.0402 119.6849 7.431989 118.7693 5.937006 0.9155502 
9.512230 
1 1 1 15  -7  11 f 120.8217 5.013960  3055.009       247.1223 2899.772       
310.9949 3320.944       407.0477 116.8918 6.337095 124.7517 7.771771 -7.859871 
10.02792 
1 1 1 15  -7  12 o 53.50448 6.387170  639.9519       135.8000 549.4405       
210.0029 705.0027       178.0329 49.50528 10.43083 57.50368 7.374382 -7.998402 
12.77434 
1 1 1 15  -7  13 o 111.4553 4.482430  2655.265       205.9875 2560.541       
319.9475 2722.324       269.2014 109.6057 6.952908 113.3048 5.659135 -3.699066 
8.964861 
1 1 1 15  -7  14 o 63.04866 6.219472  852.2267       157.5445 643.9443       
209.1799 1125.232       239.4857 53.71639 9.623854 72.38094 7.880911 -18.66454 
12.43894 
1 1 1 15  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  -7  16 o 194.7252 8.173598  8493.478       667.7208 8870.447       
966.3775 8149.091       923.6693 198.8350 11.57644 190.6154 11.54196 8.219666 
16.34720 
1 1 1 15  -7  17 o 37.89243 7.906399  328.0964       133.3396 354.0467       
203.2708 308.4961       176.6587 39.10977 11.57628 36.67508 10.77192 2.434689 
15.81280 
1 1 1 15  -7  18 o 119.4364 5.835892  3103.896       285.4780 3268.634       
461.4465 3001.749       363.3609 121.4435 9.050407 117.4293 7.370256 4.014175 
11.67178 
1 1 1 15  -7  19 o 94.55203 5.033491  1936.555       194.9922 2030.696       
314.6786 1877.876       248.4374 96.02590 7.805484 93.07816 6.357557 2.947739 
10.06698 
1 1 1 15  -7  20 f 66.99180 5.471018  983.3410       152.5898 1102.419       
235.0960 896.6616       200.5798 70.34119 7.960799 63.64241 7.506918 6.698788 
10.94204 
1 1 1 15  -7  21 o 52.10173 6.803133  660.1401       141.8122 427.0873       
202.5654 884.1549       198.5988 41.34565 11.33563 62.85781 7.525553 -21.51217 
13.60627 
1 1 1 15  -7  22 o 23.85551 7.149380  51.83250       124.6827 6.576738       
189.4846 86.38966       165.5792 23.11030 10.15302 24.60073 10.06830 -1.490429 
14.29876 
1 1 1 15  -7  23 o 23.75466 6.868963  46.27885       119.5117 -107.4634      
173.3733 185.4784       164.9698 19.03618 8.875231 28.47314 10.48622 -9.436962 
13.73793 
1 1 1 15  -7  24 o 43.43850 7.634794  498.1779       138.1446 498.6291       
184.8175 497.6067       207.9547 43.95742 10.20248 42.91958 11.36088 1.037838 
15.26959 
1 1 1 15  -7  25 o 24.22331 7.344378  79.62348       131.2519 84.44561       
167.0699 71.84914       212.1341 23.61905 9.927547 24.82757 10.82605 -1.208523 
14.68876 
1 1 1 15  -7  26 f 26.94763 8.359571  126.2248       183.8744 -47.43477      
340.6247 197.6395       218.4342 25.62397 12.07273 28.27129 11.56628 -2.647320 
16.71914 
1 1 1 15  -7  27 f 25.62259 8.296903  77.55609       201.9850 -28.35931      
334.4420 138.3712       253.4237 24.92118 11.82837 26.32399 11.63804 -1.402803 
16.59381 
1 1 1 15  -7  28 o 26.56141 8.390648  98.40385       147.9903 549.2471       
346.4134 -2.247188      163.6783 33.77808 14.25096 19.34473 8.861261 14.43335 
16.78130 
1 1 1 15  -7  29 f 19.01413 6.604747  -114.5599      151.4260 -300.2581      
360.1275 -74.67651      166.8969 20.57619 10.26213 17.45206 8.317415 3.124136 
13.20949 
1 1 1 15  -6  0  o 151.0484 3.799436  4816.035       233.8047 4818.846       
296.8566 4811.442       379.4390 151.2044 4.676310 150.8923 5.989573 0.3120880 
7.598872 
1 1 1 15  -6  1  o 252.5927 8.547423  13764.90       906.2928 13478.11       
1280.443 14052.82       1282.944 249.8898 12.20486 255.2955 11.96976 -5.405670 
17.09485 
1 1 1 15  -6  2  o 62.37408 4.446562  819.7621       115.8306 793.4031       
155.0065 853.0931       174.3049 61.26248 6.026654 63.48568 6.539655 -2.223202 
8.893124 
1 1 1 15  -6  3  o 146.2933 5.098180  4571.363       309.6965 4293.854       
465.4007 4791.906       414.8921 142.1518 7.798223 150.4348 6.569132 -8.282944 
10.19636 
1 1 1 15  -6  4  o 208.0093 7.450023  9297.570       648.9471 9318.672       
887.5155 9273.327       951.3006 208.4381 10.14191 207.5804 10.91572 0.8576660 
14.90005 
1 1 1 15  -6  5  o 199.4135 5.702085  8462.004       476.8610 7924.564       
664.9335 9031.118       684.2477 192.8463 8.212737 205.9806 7.912397 -13.13428 
11.40417 
1 1 1 15  -6  6  o 117.5316 5.108126  2936.358       251.9575 2964.429       
352.5041 2907.037       360.2660 118.1290 7.107695 116.9342 7.338425 1.194817 
10.21625 
1 1 1 15  -6  7  o 228.2207 8.013579  11299.99       734.5114 11335.48       
916.3792 11236.21       1228.391 229.7850 9.498931 226.6564 12.90892 3.128601 
16.02716 
1 1 1 15  -6  8  o 40.11076 7.012555  361.6963       117.8160 315.8009       
170.1812 403.9384       163.2677 37.65852 10.41897 42.56301 9.388761 -4.904499 
14.02511 
1 1 1 15  -6  9  o 144.7462 5.282269  4492.293       318.9435 4829.616       
438.8478 4114.644       464.3394 150.6907 6.936630 138.8017 7.968227 11.88898 
10.56454 
1 1 1 15  -6  10 o 90.69485 4.804294  1748.922       182.2124 1551.629       
254.3481 1956.928       261.1616 85.38779 7.095021 96.00192 6.479632 -10.61413 
9.608588 
1 1 1 15  -6  11 o 64.88714 5.232285  896.9737       141.6420 895.8552       
212.3933 897.8696       190.0827 64.79728 7.807376 64.97700 6.967936 
-0.1797180     10.46457 
1 1 1 15  -6  12 o 114.2812 4.760194  2772.050       227.6582 2735.541       
308.9231 2815.444       336.7940 113.5092 6.482469 115.0531 6.972475 -1.543961 
9.520389 
1 1 1 15  -6  13 o 128.9093 5.673225  3554.804       306.7506 3709.843       
432.2878 3397.560       435.3503 131.8027 7.812136 126.0160 8.228759 5.786705 
11.34645 
1 1 1 15  -6  14 o 116.2678 5.361630  2884.617       261.3578 2818.198       
358.7271 2959.760       381.5603 114.8820 7.437608 117.6536 7.724656 -2.771606 
10.72326 
1 1 1 15  -6  15 o 119.3466 5.645503  3046.697       280.5011 3159.481       
428.2922 2961.984       371.1853 121.1186 8.422681 117.5747 7.519657 3.543953 
11.29101 
1 1 1 15  -6  16 o 137.1742 7.819024  4054.828       450.3021 0.000000       
0.000000 4054.828       450.3021 ?        ?        137.1742 7.819024 ? ? 
1 1 1 15  -6  17 o 96.85991 5.209991  2026.989       206.5492 2010.726       
329.9729 2037.466       264.8552 96.24062 8.166594 97.47919 6.471689 -1.238571 
10.41998 
1 1 1 15  -6  18 o 26.30212 7.549625  73.77192       129.5513 122.2202       
197.0705 36.90057       171.9202 28.51526 11.22820 24.08899 10.09530 4.426268 
15.09925 
1 1 1 15  -6  19 o 127.7578 5.314242  3524.394       283.5811 3925.860       
428.0437 3210.345       378.5838 134.1241 7.601555 121.3915 7.428395 12.73260 
10.62848 
1 1 1 15  -6  20 o 31.82648 7.406760  221.4596       125.1241 68.33543       
191.7490 335.0142       165.1252 25.94319 10.75336 37.70977 10.18850 -11.76657 
14.81352 
1 1 1 15  -6  21 o 38.04577 7.825286  362.3310       136.0334 248.9668       
222.0560 430.4335       172.1100 33.52680 12.18360 42.56474 9.823456 -9.037933 
15.65057 
1 1 1 15  -6  22 o 42.79074 7.695235  468.2892       146.1198 280.4015       
215.9220 627.0302       198.4688 34.25006 12.05663 51.33141 9.565786 -17.08134 
15.39047 
1 1 1 15  -6  23 o 70.58911 4.953713  1118.855       146.7229 1078.856       
207.6288 1158.754       207.3665 69.23802 7.142725 71.94019 6.865752 -2.702171 
9.907426 
1 1 1 15  -6  24 o 51.95728 6.816621  661.4749       144.4116 531.2844       
200.2611 802.5199       208.4423 45.48860 10.66089 58.42596 8.497693 -12.93736 
13.63324 
1 1 1 15  -6  25 o 80.00946 5.049685  1473.505       168.5500 1449.796       
225.6051 1503.457       253.5693 79.67062 6.744842 80.34830 7.516941 
-0.6776733     10.09937 
1 1 1 15  -6  26 o 47.45836 8.205305  631.5759       163.7764 762.3828       
237.0536 512.1208       226.5340 53.02613 11.01526 41.89059 12.16438 11.13554 
16.41061 
1 1 1 15  -6  27 o 39.55594 9.963769  551.0622       208.0345 532.3935       
361.8380 560.2803       254.2598 37.39647 15.04140 41.71541 13.07146 -4.318943 
19.92754 
1 1 1 15  -6  28 o 27.33805 8.400558  178.8668       148.0007 198.3146       
393.8236 175.6686       159.7074 28.78338 13.40292 25.89273 10.13111 2.890654 
16.80112 
1 1 1 15  -6  29 o 25.65148 8.368187  89.02728       160.9026 512.5965       
373.4861 -7.503016      178.2970 31.68369 14.05251 19.61926 9.090281 12.06443 
16.73637 
1 1 1 15  -5  0  o 82.97045 3.675697  1372.474       117.9789 1261.057       
139.2645 1655.699       222.0394 77.39017 4.286233 88.55074 5.972538 -11.16057 
7.351395 
1 1 1 15  -5  1  o 98.09056 4.170255  1984.792       165.8825 2208.665       
278.7262 1862.007       206.4196 102.2145 6.495105 93.96658 5.232371 8.247948 
8.340509 
1 1 1 15  -5  2  o 124.4811 4.399123  3280.845       224.9988 3242.219       
355.7461 3306.599       290.4767 123.7828 6.845432 125.1794 5.527131 -1.396553 
8.798245 
1 1 1 15  -5  3  o 132.1829 4.580680  3677.194       252.8816 3530.792       
338.0826 3863.136       381.0106 129.2473 6.230494 135.1185 6.716506 -5.871201 
9.161360 
1 1 1 15  -5  4  o 25.47277 6.899222  87.14919       105.6379 30.45457       
149.0370 144.3911       149.7546 22.88114 9.482024 28.06440 10.02439 -5.183262 
13.79844 
1 1 1 15  -5  5  o 267.3156 7.094904  15289.33       793.7844 15208.15       
1079.845 15384.76       1170.829 266.7418 9.642536 267.8894 10.41020 -1.147644 
14.18981 
1 1 1 15  -5  6  o 72.54599 4.668530  1114.081       142.0427 1131.282       
206.2818 1098.571       195.8790 73.06586 6.724615 72.02612 6.477672 1.039742 
9.337059 
1 1 1 15  -5  7  o 38.08755 6.544765  310.3419       105.0418 212.7177       
138.6305 441.9498       160.9611 31.43238 9.612575 44.74273 8.884491 -13.31035 
13.08953 
1 1 1 15  -5  8  o 87.74387 4.537382  1613.785       165.8192 1358.482       
222.7735 1930.964       248.3063 80.02068 6.631052 95.46704 6.195200 -15.44636 
9.074764 
1 1 1 15  -5  9  o 73.18709 4.282276  1127.330       130.9071 1063.220       
174.7751 1209.257       197.5758 70.85319 5.875451 75.52098 6.231423 -4.667793 
8.564552 
1 1 1 15  -5  10 o 127.9249 6.132894  3498.129       327.9464 3581.760       
489.4432 3429.992       441.7827 129.2042 9.022911 126.6456 8.308827 2.558662 
12.26579 
1 1 1 15  -5  11 o 45.46188 6.906871  459.5653       127.1426 478.8774       
192.2843 444.5623       169.4803 46.23914 10.17988 44.68462 9.337539 1.554523 
13.81374 
1 1 1 15  -5  12 o 270.1290 9.236008  16079.20       1017.801 16281.45       
1301.741 15761.09       1632.573 273.7991 11.32436 266.4589 14.59364 7.340240 
18.47202 
1 1 1 15  -5  13 o 106.9762 4.169355  2420.741       186.5884 2472.760       
277.0258 2377.546       252.4366 107.9894 6.110265 105.9629 5.674393 2.026489 
8.338710 
1 1 1 15  -5  14 o 25.96083 7.379205  72.85989       122.8089 78.27246       
179.9175 68.13805       168.0456 26.49218 10.62676 25.42949 10.24122 1.062698 
14.75841 
1 1 1 15  -5  15 o 140.7363 5.599175  4281.381       316.5137 4084.082       
523.9134 4394.778       397.1896 137.7425 9.059671 143.7301 6.582203 -5.987534 
11.19835 
1 1 1 15  -5  16 o 130.2266 5.706483  3628.267       310.9831 3248.890       
425.5966 4062.866       455.5198 122.8876 8.249187 137.5656 7.887124 -14.67796 
11.41297 
1 1 1 15  -5  17 o 142.7934 5.933671  4443.973       352.2107 4712.245       
475.9680 4119.271       523.6401 147.9453 7.662980 137.6415 9.061597 10.30383 
11.86734 
1 1 1 15  -5  18 o 89.70119 6.970224  1731.481       262.4967 1731.481       
262.4967 0.000000       0.000000 89.70119 6.970224 ?        ?        ? ? 
1 1 1 15  -5  19 o 56.55158 6.786700  684.7880       154.4115 898.1976       
251.9523 556.4155       195.4103 63.74824 9.413934 49.35493 9.778295 14.39331 
13.57340 
1 1 1 15  -5  20 o 61.30968 5.734649  824.6506       147.2360 904.9651       
211.4898 749.1134       205.1032 64.29410 7.835007 58.32526 8.376004 5.968834 
11.46930 
1 1 1 15  -5  21 o 39.05980 7.989401  357.9790       140.9280 465.3661       
207.2816 265.6705       192.1788 44.01334 11.18944 34.10626 11.40695 9.907078 
15.97880 
1 1 1 15  -5  22 f 30.29476 8.199654  180.5714       144.9917 162.3788       
222.2426 194.0529       191.3141 30.12077 11.90363 30.46876 11.28011 
-0.3479939     16.39931 
1 1 1 15  -5  23 o 40.35397 7.318617  400.2723       124.2908 401.0117       
167.3609 399.3630       185.5977 40.60571 9.894200 40.10223 10.78672 0.5034790 
14.63723 
1 1 1 15  -5  24 o 48.47820 6.769799  544.1915       133.9965 381.4563       
173.5666 784.2778       210.8187 38.92323 10.41397 58.03318 8.652744 -19.10995 
13.53960 
1 1 1 15  -5  25 o 81.16017 5.290260  1510.845       179.2728 1470.281       
240.1786 1561.876       269.3884 80.26276 7.127565 82.05759 7.819541 -1.794838 
10.58052 
1 1 1 15  -5  26 o 56.81260 8.270820  903.5201       183.1368 974.0736       
226.0203 768.6584       312.4875 63.71385 8.449571 49.91135 14.22078 13.80250 
16.54164 
1 1 1 15  -5  27 o 30.12511 8.979878  126.3479       209.3123 478.5241       
317.2156 -145.2293      278.5616 37.66007 14.38225 22.59014 10.75657 15.06993 
17.95976 
1 1 1 15  -5  28 o 31.34793 8.928359  264.5575       156.0458 396.1883       
346.8221 231.1469       174.7309 33.71273 14.24312 28.98313 10.77013 4.729595 
17.85672 
1 1 1 15  -5  29 o 33.07509 8.654799  380.7916       156.0562 292.8067       
411.4807 395.5729       168.6562 29.71798 13.78477 36.43220 10.46911 -6.714222 
17.30960 
1 1 1 15  -5  30 o 20.33855 7.022208  -74.50027      157.4203 -128.6839      
381.9571 -63.41339      172.7767 22.63463 11.15400 18.04247 8.534276 4.592152 
14.04442 
1 1 1 15  -4  0  o 110.7229 3.972694  2501.068       175.1085 2335.704       
212.7704 2848.170       308.2613 105.3044 4.812665 116.1414 6.321980 -10.83694 
7.945388 
1 1 1 15  -4  1  o 19.44027 6.113335  -88.56399      104.4545 22.30131       
151.3422 -189.4188      144.3479 22.75727 9.500502 16.12327 7.696227 6.634001 
12.22667 
1 1 1 15  -4  2  o 83.63744 4.211526  1470.982       147.4711 1325.637       
202.5379 1634.983       215.1438 79.24603 6.087653 88.02885 5.821364 -8.782822 
8.423052 
1 1 1 15  -4  3  o 157.2255 5.097457  5233.137       332.8927 5245.012       
440.2190 5217.278       508.7436 157.5270 6.656332 156.9240 7.722015 0.6029510 
10.19491 
1 1 1 15  -4  4  o 196.2794 6.607821  8237.946       524.7729 8063.997       
860.8755 8340.806       661.9868 194.2436 10.55637 198.3153 7.950860 -4.071732 
13.21564 
1 1 1 15  -4  5  o 148.6960 5.006248  4584.273       291.2962 4421.563       
350.2049 4949.622       524.7695 144.7180 5.763958 152.6740 8.186993 -7.956055 
10.01250 
1 1 1 15  -4  6  o 55.69146 5.102445  656.3478       119.1724 676.8833       
173.4866 638.0001       163.9849 56.50796 7.312696 54.87495 7.117883 1.633003 
10.20489 
1 1 1 15  -4  7  o 152.7380 5.441880  4978.146       332.4937 5034.271       
413.3118 4875.207       559.7499 154.2404 6.382644 151.2356 8.815786 3.004852 
10.88376 
1 1 1 15  -4  8  o 107.8843 4.486084  2458.555       202.7875 2553.288       
298.2580 2377.115       276.5413 109.7937 6.470467 105.9748 6.215535 3.818916 
8.972169 
1 1 1 15  -4  9  o 52.70208 4.915691  597.3487       107.2447 500.7379       
155.2197 685.5940       148.3474 48.51161 7.621179 56.89255 6.210773 -8.380936 
9.831382 
1 1 1 15  -4  10 o 152.0671 6.112412  4786.734       365.2240 5399.700       
658.2969 4514.161       438.9801 158.4353 9.896715 145.6990 7.176445 12.73625 
12.22482 
1 1 1 15  -4  11 o 51.27207 6.419117  607.3002       129.2519 392.1484       
192.2847 784.6465       174.5755 41.78730 10.86187 60.75685 6.843987 -18.96955 
12.83823 
1 1 1 15  -4  12 f 91.84041 4.177603  1778.195       160.2489 1700.698       
214.1883 1876.730       241.5173 89.61066 5.693208 94.07014 6.115296 -4.459480 
8.355206 
1 1 1 15  -4  13 o 52.65506 6.042245  603.8298       130.0991 633.3754       
179.3005 570.9792       189.0632 54.47898 7.839235 50.83113 9.196809 3.647842 
12.08449 
1 1 1 15  -4  14 o 69.43060 5.306457  1040.283       152.6332 909.6580       
224.9060 1151.811       207.8173 65.23606 8.211724 73.62514 6.723209 -8.389076 
10.61291 
1 1 1 15  -4  15 o 65.78393 6.335450  929.5946       174.4878 937.8546       
238.7191 920.1194       255.6789 66.15595 8.594871 65.41190 9.310205 0.7440491 
12.67090 
1 1 1 15  -4  16 o 105.4392 6.113922  2396.058       267.5766 2446.302       
355.1674 2330.108       406.9089 106.9165 7.912422 103.9619 9.322754 2.954636 
12.22784 
1 1 1 15  -4  17 o 67.94763 5.810643  991.5982       165.1705 881.9105       
228.6705 1111.253       238.8336 63.96457 8.515141 71.93070 7.908645 -7.966133 
11.62129 
1 1 1 15  -4  18 o 127.8692 6.255163  3553.404       333.3063 3568.375       
445.9784 3534.463       501.6505 128.4448 8.270247 127.2936 9.386762 1.151169 
12.51033 
1 1 1 15  -4  19 o 31.81472 11.29766  204.2172       189.9655 0.000000       
0.000000 204.2172       189.9655 ?        ?        31.81472 11.29766 ? ? 
1 1 1 15  -4  20 o 34.86598 8.415193  267.0269       149.4798 195.1885       
235.7751 315.3091       193.2915 32.68196 12.42313 37.05000 11.35463 -4.368046 
16.83039 
1 1 1 15  -4  21 o 44.34552 7.584780  461.0508       139.8769 520.9173       
203.4265 407.3619       192.6451 47.14949 10.54335 41.54154 10.90657 5.607956 
15.16956 
1 1 1 15  -4  22 o 91.51387 5.674266  1857.311       217.8853 1829.127       
311.7568 1884.223       304.6390 90.73765 8.183697 92.29010 7.862334 -1.552452 
11.34853 
1 1 1 15  -4  23 o 44.16586 7.135974  478.3622       130.3460 567.4150       
176.8056 372.3355       192.9210 49.38827 8.847178 38.94346 11.19893 10.44481 
14.27195 
1 1 1 15  -4  24 o 70.12749 5.324153  1081.357       154.2004 850.8885       
203.1242 1394.829       236.8947 61.27384 7.896010 78.98115 7.144189 -17.70731 
10.64831 
1 1 1 15  -4  25 o 23.89299 7.284895  29.51049       136.5807 -59.64267      
200.6343 106.5058       186.4528 21.78994 9.922058 25.99605 10.66919 -4.206106 
14.56979 
1 1 1 15  -4  26 o 29.76743 8.554621  156.8361       168.0472 46.19702       
216.6586 323.9085       266.2405 24.87403 10.89269 34.66084 13.19377 -9.786814 
17.10924 
1 1 1 15  -4  27 o 41.85196 10.19411  564.2369       216.5972 594.5859       
323.1104 539.4692       291.8924 42.42444 14.76643 41.27948 14.05815 1.144958 
20.38821 
1 1 1 15  -4  28 o 34.58468 9.334668  236.8547       152.2896 730.3157       
364.4867 132.4905       167.6220 44.05182 15.64858 25.11753 10.18165 18.93429 
18.66934 
1 1 1 15  -4  29 o 29.31527 8.927093  130.7466       150.9618 567.6293       
373.1149 45.22975       165.0768 37.08331 15.13488 21.54723 9.471391 15.53608 
17.85419 
1 1 1 15  -4  30 o 27.05193 8.471334  200.3895       167.5470 247.4266       
386.3514 189.4945       185.9414 28.15791 13.17484 25.94595 10.65258 2.211964 
16.94267 
1 1 1 15  -4  31 o 28.70775 7.806581  297.5506       137.5830 224.0453       
228.1901 339.5337       172.4545 25.95340 11.27187 31.46210 10.80351 -5.508694 
15.61316 
1 1 1 15  -3  0  o 86.94405 3.823752  1535.251       133.3723 1410.785       
163.1055 1786.410       231.6955 81.85742 4.746043 92.03066 5.996615 -10.17324 
7.647504 
1 1 1 15  -3  1  o 171.4670 6.379015  6239.481       457.4842 6249.047       
621.0223 6228.131       676.4917 171.6915 8.615479 171.2425 9.409616 0.4489594 
12.75803 
1 1 1 15  -3  2  o 160.4103 5.590902  5451.033       376.0105 5532.154       
520.6876 5362.625       543.5684 161.6980 7.669967 159.1226 8.136606 2.575424 
11.18180 
1 1 1 15  -3  3  f 171.5577 5.541636  6221.835       397.2347 6140.429       
534.6619 6322.138       593.4802 170.3723 7.474828 172.7430 8.183267 -2.370712 
11.08327 
1 1 1 15  -3  4  o 134.1006 5.100009  3795.648       286.1781 3713.877       
387.4234 3893.843       424.5542 132.5484 6.961973 135.6528 7.454618 -3.104416 
10.20002 
1 1 1 15  -3  5  o 122.3061 4.768307  3168.460       243.1032 3221.029       
326.5200 3103.076       364.1495 123.5004 6.297416 121.1117 7.161673 2.388687 
9.536613 
1 1 1 15  -3  6  o 172.5955 5.709516  6316.803       413.5243 6399.758       
595.5598 6239.576       574.6254 173.6681 8.168199 171.5229 7.979650 2.145279 
11.41903 
1 1 1 15  -3  7  o 26.45421 6.427766  58.40509       109.4553 -173.6962      
157.3969 275.7588       152.3144 17.48741 8.229673 35.42101 9.876092 -17.93359 
12.85553 
1 1 1 15  -3  8  o 75.60434 4.219679  1213.131       131.7853 1178.162       
203.9558 1238.196       172.6716 74.61666 6.510605 76.59203 5.369805 -1.975365 
8.439359 
1 1 1 15  -3  9  o 82.83528 4.525856  1464.357       155.5232 1364.783       
234.0042 1543.141       208.1458 80.23026 6.947146 85.44031 5.802642 -5.210045 
9.051713 
1 1 1 15  -3  10 o 132.2871 5.116575  3751.680       277.4812 3548.162       
435.9253 3890.311       359.7817 129.0582 8.045399 135.5159 6.323678 -6.457733 
10.23315 
1 1 1 15  -3  11 o 140.4241 4.801703  4176.494       282.7281 4439.560       
411.7642 3941.842       388.8912 144.5991 6.782722 136.2491 6.798536 8.349976 
9.603406 
1 1 1 15  -3  12 o 58.58044 5.295515  730.8821       130.1933 758.4725       
185.9961 704.3770       182.3017 59.67139 7.424356 57.48949 7.553069 2.181900 
10.59103 
1 1 1 15  -3  13 o 113.8269 4.830985  2748.111       230.2181 2840.005       
340.6817 2670.881       312.3192 115.5328 7.023675 112.1209 6.634881 3.411926 
9.661970 
1 1 1 15  -3  14 o 66.60854 5.667232  945.2019       158.0739 917.1126       
214.7296 978.4324       233.5556 65.56074 7.801340 67.65635 8.222479 -2.095612 
11.33446 
1 1 1 15  -3  15 o 108.4292 5.327712  2535.240       239.1740 2279.289       
357.5346 2742.548       321.7713 103.2549 8.247620 113.6035 6.746468 -10.34867 
10.65542 
1 1 1 15  -3  16 o 67.64822 5.849910  981.4478       165.6812 905.2466       
235.5439 1056.071       233.0925 64.98615 8.633208 70.31031 7.896423 -5.324165 
11.69982 
1 1 1 15  -3  17 o 52.74059 7.220677  638.6125       153.0473 475.3085       
231.5767 765.2551       203.9324 45.72282 11.93653 59.75836 8.128468 -14.03554 
14.44135 
1 1 1 15  -3  18 o 75.91933 5.340952  1236.530       164.1433 1234.417       
270.1800 1237.766       206.6530 75.65189 8.506570 76.18676 6.460754 
-0.5348740     10.68190 
1 1 1 15  -3  19 o 119.3186 5.944490  3089.280       297.2670 3170.265       
412.1633 3001.482       429.1491 121.0811 8.108004 117.5561 8.695293 3.525047 
11.88898 
1 1 1 15  -3  20 o 23.58217 7.155168  -62.67892      141.3102 -291.0530      
211.3908 121.8181       190.0016 18.89747 9.090269 28.26687 11.05227 -9.369406 
14.31034 
1 1 1 15  -3  21 o 36.54842 11.79454  303.4835       205.6919 303.4835       
205.6919 0.000000       0.000000 36.54842 11.79454 ?        ?        ? ? 
1 1 1 15  -3  22 o 81.07329 5.506284  1442.280       187.0817 1445.544       
272.8566 1439.384       257.0016 81.05364 8.018312 81.09294 7.548729 
-0.3929901E-01 11.01257 
1 1 1 15  -3  23 o 87.89077 4.994133  1699.053       183.1079 1930.765       
260.9966 1474.457       256.9582 94.04298 6.610426 81.73856 7.487839 12.30441 
9.988266 
1 1 1 15  -3  24 o 34.38402 7.803375  268.8057       129.6288 180.7987       
170.4737 389.4516       199.5975 29.16445 10.66758 39.60359 11.39181 -10.43913 
15.60675 
1 1 1 15  -3  25 o 70.68524 5.373580  1130.968       159.2059 1199.997       
225.1078 1061.885       225.1945 73.01327 7.343615 68.35722 7.846833 4.656052 
10.74716 
1 1 1 15  -3  26 o 22.04452 6.842923  -37.30979      129.7305 113.5579       
183.6677 -187.5184      183.2661 26.03338 10.62087 18.05565 8.631310 7.977736 
13.68585 
1 1 1 15  -3  27 o 35.34853 9.608904  343.1244       198.4135 417.2595       
309.0957 291.1673       258.7638 37.45470 14.22807 33.24236 12.91845 4.212345 
19.21781 
1 1 1 15  -3  28 o 48.70799 9.120143  705.6960       162.3838 710.4685       
422.8658 704.8705       175.8676 42.87370 16.54456 54.54229 7.680216 -11.66859 
18.24029 
1 1 1 15  -3  29 f 31.59846 9.058032  219.2472       147.1179 519.8317       
359.0640 158.6063       161.2766 37.30675 14.99262 25.89017 10.16922 11.41658 
18.11606 
1 1 1 15  -3  30 o 54.68012 8.548903  858.1889       169.6362 1041.962       
348.8370 801.2706       194.1368 53.02927 14.99833 56.33096 8.208838 -3.301689 
17.09781 
1 1 1 15  -3  31 o 37.49408 8.173414  480.4529       140.2846 490.0742       
235.1902 475.1395       174.7804 35.78643 12.58454 39.20173 10.43303 -3.415298 
16.34683 
1 1 1 15  -2  0  o 102.9250 4.109286  2212.961       175.8052 2100.563       
230.4974 2369.292       271.8380 99.85027 5.498420 105.9998 6.108380 -6.149551 
8.218572 
1 1 1 15  -2  1  o 112.7549 4.740807  2683.749       224.3734 2746.951       
317.1986 2620.457       317.4254 114.0912 6.622168 111.4186 6.785859 2.672554 
9.481613 
1 1 1 15  -2  2  o 211.4035 5.508348  9436.275       487.0468 9287.586       
658.4382 9615.934       723.7633 209.6277 7.481477 213.1794 8.086722 -3.551620 
11.01670 
1 1 1 15  -2  3  o 110.1766 4.845250  2580.714       217.2194 2489.545       
350.3240 2637.659       276.8679 108.5014 7.690517 111.8518 5.895908 -3.350372 
9.690499 
1 1 1 15  -2  4  o 169.6869 5.672894  6141.867       391.2327 6292.344       
498.1866 5899.744       631.9398 172.6061 6.874751 166.7678 9.025779 5.838333 
11.34579 
1 1 1 15  -2  5  o 142.7719 5.717095  4308.064       342.2538 4025.563       
473.0582 4618.356       495.7809 137.8568 8.173491 147.6870 7.995920 -9.830276 
11.43419 
1 1 1 15  -2  6  o 99.35443 3.988418  2070.968       163.1205 2135.356       
259.1712 2028.729       209.9126 100.5849 6.137266 98.12394 5.095475 2.460983 
7.976835 
1 1 1 15  -2  7  o 63.98425 5.111149  889.1520       130.5111 569.3030       
182.4304 1224.463       186.7879 51.79524 8.389353 76.17326 5.840731 -24.37802 
10.22230 
1 1 1 15  -2  8  o 121.4543 4.245195  3125.019       215.7046 2855.466       
307.3765 3386.571       302.7802 116.2409 6.298435 126.6677 5.693544 -10.42678 
8.490391 
1 1 1 15  -2  9  o 47.48007 6.464066  477.7009       125.3090 645.9477       
191.8237 352.4582       165.5027 55.12324 8.288742 39.83691 9.921357 15.28633 
12.92813 
1 1 1 15  -2  10 o 179.1821 6.323926  6862.951       452.5477 6893.541       
560.6531 6805.754       766.6324 180.2078 7.410399 178.1565 10.24959 2.051361 
12.64785 
1 1 1 15  -2  11 o 87.87125 4.609788  1603.398       166.3547 1791.830       
270.1214 1488.263       211.1469 91.88203 7.002440 83.86047 5.997200 8.021553 
9.219576 
1 1 1 15  -2  12 o 72.47800 4.988668  1100.467       150.1223 896.1248       
200.6170 1360.493       226.3069 64.90099 7.362706 80.05502 6.733335 -15.15403 
9.977336 
1 1 1 15  -2  13 o 140.3694 5.931755  4174.153       344.1491 3997.603       
445.0501 4436.743       542.7683 136.9046 7.743046 143.8341 8.988219 -6.929489 
11.86351 
1 1 1 15  -2  14 o 161.9487 7.396717  5528.965       476.0064 5245.910       
579.3827 6116.813       834.9520 156.4159 8.822787 167.4815 11.87451 -11.06560 
14.79343 
1 1 1 15  -2  15 o 53.58078 7.185790  641.7596       155.8681 401.9842       
216.7049 898.7647       224.3558 42.32006 11.77371 64.84150 8.241482 -22.52143 
14.37158 
1 1 1 15  -2  16 o 67.83725 5.739491  976.7646       160.8864 1019.794       
253.0742 947.5789       208.4256 68.98801 8.737664 66.68650 7.444478 2.301506 
11.47898 
1 1 1 15  -2  17 o 173.2484 6.178390  6297.952       402.5405 6760.901       
774.5842 6126.660       471.1617 176.7196 10.44011 169.7772 6.610154 6.942337 
12.35678 
1 1 1 15  -2  18 o 133.2491 5.346448  3795.648       298.8684 4000.092       
426.5102 3598.416       418.9197 136.8168 7.425247 129.6813 7.694396 7.135559 
10.69290 
1 1 1 15  -2  19 o 103.4063 5.243031  2291.690       227.3834 2327.682       
330.1713 2259.219       313.6052 104.1371 7.551876 102.6756 7.275071 1.461555 
10.48606 
1 1 1 15  -2  20 o 103.7998 5.109685  2279.073       219.0284 2531.609       
348.8882 2114.801       281.3889 108.3041 7.672954 99.29559 6.749911 9.008484 
10.21937 
1 1 1 15  -2  21 f 98.66666 5.084047  2098.868       210.3409 2183.475       
306.9207 2023.938       288.8360 100.5053 7.273748 96.82800 7.105121 3.677315 
10.16809 
1 1 1 15  -2  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  -2  23 o 29.55110 7.766892  164.4342       128.9386 122.9395       
173.2437 215.9614       193.0542 27.19236 10.56969 31.90984 11.38333 -4.717482 
15.53378 
1 1 1 15  -2  24 o 36.44821 7.708880  320.6110       127.5356 349.0865       
171.0488 284.9621       191.3848 38.14300 10.39839 34.75342 11.38336 3.389580 
15.41776 
1 1 1 15  -2  25 o 26.49124 7.346657  90.58988       129.6360 -55.02680      
185.2448 230.3467       181.4792 21.40685 9.673977 31.57562 11.05928 -10.16878 
14.69331 
1 1 1 15  -2  26 o 81.13129 5.249866  1480.187       178.2071 1647.768       
264.1475 1340.193       241.4281 85.36057 7.370726 76.90201 7.477753 8.458557 
10.49973 
1 1 1 15  -2  27 f 33.25270 8.429678  249.7667       165.8679 42.74609       
232.5102 464.2993       236.6910 25.55803 11.23749 40.94737 12.56808 -15.38934 
16.85936 
1 1 1 15  -2  28 o 24.53095 7.958054  4.399973       140.8018 61.26501       
351.3074 -6.482735      153.6856 28.87249 13.14234 20.18941 8.977828 8.683086 
15.91611 
1 1 1 15  -2  29 o 51.93755 8.877481  763.7414       163.7838 846.9176       
376.5571 744.3345       181.8902 48.07528 15.96733 55.79982 7.764215 -7.724537 
17.75496 
1 1 1 15  -2  30 o 52.59595 8.904784  832.4514       170.7623 890.2916       
376.2346 817.4449       191.6380 47.42762 15.96049 57.76429 7.902113 -10.33667 
17.80957 
1 1 1 15  -2  31 o 44.72174 7.883465  593.6993       143.4493 667.0306       
238.5227 552.1469       179.5489 45.27131 12.25145 44.17216 9.924620 1.099148 
15.76693 
1 1 1 15  -2  32 o 25.65631 7.550841  158.1471       131.4172 378.7919       
225.4951 44.65945       161.7204 31.16089 12.06976 20.15173 9.076440 11.00916 
15.10168 
1 1 1 15  -1  0  o 36.68489 7.143317  296.9105       113.9289 257.4458       
171.0556 328.3746       152.7359 34.77707 10.68638 38.59272 9.482049 -3.815659 
14.28663 
1 1 1 15  -1  1  f 285.0964 7.686151  17129.74       905.0064 16453.53       
1168.667 18142.71       1430.373 278.4176 9.998050 291.7751 11.67676 -13.35751 
15.37230 
1 1 1 15  -1  2  o 125.6914 5.333975  3324.584       280.4842 3485.626       
418.0064 3192.690       378.2897 128.4270 7.752605 122.9559 7.328184 5.471123 
10.66795 
1 1 1 15  -1  3  o 189.6900 5.796846  7572.276       435.1462 7495.247       
531.7048 7728.512       757.2346 188.4738 6.719557 190.9062 9.447819 -2.432343 
11.59369 
1 1 1 15  -1  4  o 138.7805 5.032123  4057.723       277.8507 4096.511       
477.0913 4037.815       341.7963 139.1511 8.166501 138.4099 5.881948 0.7411346 
10.06425 
1 1 1 15  -1  5  o 188.6439 5.334338  7519.664       420.3922 7550.726       
626.9285 7494.285       566.6757 188.9338 7.903680 188.3540 7.166065 0.5797882 
10.66868 
1 1 1 15  -1  6  o 148.0455 4.834868  4635.657       295.3449 4591.373       
461.2579 4666.429       384.5025 147.3607 7.455607 148.7302 6.157737 -1.369431 
9.669737 
1 1 1 15  -1  7  o 227.2630 8.215809  11066.40       780.3348 11286.00       
1060.903 10807.55       1151.814 229.9451 10.98937 224.5809 12.21605 5.364182 
16.43162 
1 1 1 15  -1  8  o 131.5712 4.667533  3608.043       251.7552 3882.800       
408.4175 3439.666       319.7215 135.4773 7.180566 127.6650 5.965144 7.812309 
9.335067 
1 1 1 15  -1  9  o 65.11094 5.056081  894.7749       137.7439 928.8050       
204.8373 866.6841       186.1056 66.22077 7.367767 64.00111 6.926168 2.219666 
10.11216 
1 1 1 15  -1  10 o 96.50221 4.933221  1962.612       199.3362 2109.190       
295.3331 1839.961       270.1545 99.78658 7.049544 93.21783 6.902942 6.568748 
9.866443 
1 1 1 15  -1  11 o 52.30473 6.339431  594.9968       133.3970 434.4301       
183.3368 775.6338       194.4578 44.18330 10.09945 60.42617 7.665162 -16.24287 
12.67886 
1 1 1 15  -1  12 o 193.1689 5.850866  7926.035       438.0922 7880.631       
526.3319 8028.432       790.4221 192.8358 6.501193 193.5020 9.729596 
-0.6661377     11.70173 
1 1 1 15  -1  13 o 75.05115 4.943809  1165.182       153.6587 997.1942       
198.7503 1414.784       242.2664 68.51537 6.909410 81.58693 7.072838 -13.07156 
9.887617 
1 1 1 15  -1  14 o 142.9322 5.800437  4312.119       340.0680 4123.935       
432.7002 4616.140       549.9803 139.1388 7.407298 146.7256 8.928169 -7.586761 
11.60087 
1 1 1 15  -1  15 f 110.7055 4.329429  2593.165       200.9818 2441.608       
276.9585 2761.757       292.1086 107.2918 6.148501 114.1192 6.096865 -6.827400 
8.658858 
1 1 1 15  -1  16 o 63.46559 5.740884  836.7152       149.5964 1131.221       
231.7457 626.3289       195.8726 72.84760 7.577353 54.08358 8.626395 18.76402 
11.48177 
1 1 1 15  -1  17 o 141.9015 6.132673  4236.671       361.0330 4818.244       
566.1283 3838.026       468.7122 149.8527 8.998527 133.9503 8.334579 15.90240 
12.26535 
1 1 1 15  -1  18 o 109.6497 4.628095  2506.842       209.1006 2804.214       
335.9875 2318.855       267.1385 114.7637 6.973320 104.5356 6.086859 10.22809 
9.256190 
1 1 1 15  -1  19 o 43.70734 8.146311  434.8341       151.2557 423.3423       
225.3963 444.2491       204.0142 43.17223 12.00642 44.24245 11.01341 -1.070225 
16.29262 
1 1 1 15  -1  20 o 65.76369 5.838275  920.4693       159.6947 1116.529       
240.9009 766.7692       213.2953 71.98508 7.971077 59.54228 8.532511 12.44280 
11.67655 
1 1 1 15  -1  21 o 131.4459 5.977597  3769.414       327.8752 3884.438       
444.5452 3632.203       485.5323 133.9386 7.905537 128.9533 8.968230 4.985291 
11.95519 
1 1 1 15  -1  22 o 26.59628 7.580379  34.62438       146.0849 -186.2868      
221.2592 205.3450       194.5071 21.31028 9.970634 31.88227 11.42082 -10.57199 
15.16076 
1 1 1 15  -1  23 o 39.76904 7.586979  371.2789       129.3252 375.7578       
175.5996 365.9699       191.1790 40.08652 10.36132 39.45156 11.08567 0.6349564 
15.17396 
1 1 1 15  -1  24 o 60.67964 5.838678  817.7774       148.6123 777.3622       
209.5085 858.7066       210.8367 59.09417 8.444581 62.26510 8.065339 -3.170929 
11.67736 
1 1 1 15  -1  25 o 39.58317 7.702181  391.2539       138.0832 253.1286       
207.2355 501.5416       185.1788 33.30428 11.80270 45.86207 9.899021 -12.55779 
15.40436 
1 1 1 15  -1  26 o 42.41040 7.912554  444.5190       141.2544 509.7943       
221.0418 399.4628       183.6443 44.75620 11.65149 40.06460 10.70872 4.691601 
15.82511 
1 1 1 15  -1  27 o 54.71386 7.948424  782.8187       171.8670 848.5764       
215.6362 668.2972       284.5719 60.34581 8.511293 49.08190 13.42638 11.26391 
15.89685 
1 1 1 15  -1  28 o 50.37940 8.748052  751.8292       165.8442 580.1539       
377.6900 792.8366       184.5918 42.19366 15.80352 58.56515 7.507482 -16.37149 
17.49610 
1 1 1 15  -1  29 o 38.71961 8.697462  462.3346       160.1434 296.2981       
356.6035 504.2786       179.2333 33.37788 14.28409 44.06135 9.927138 -10.68347 
17.39492 
1 1 1 15  -1  30 o 25.92760 7.821746  -7.151940      139.6559 388.0193       
274.9716 -144.5238      162.1228 34.84701 13.36641 17.00818 8.127608 17.83883 
15.64349 
1 1 1 15  -1  31 o 24.52467 7.313069  120.6121       131.8091 19.51282       
223.8020 174.3040       163.0964 22.92089 10.44835 26.12846 10.23503 -3.207569 
14.62614 
1 1 1 15  -1  32 o 22.46633 7.046937  85.70560       128.8955 80.68804       
216.0802 88.47726       160.5974 23.03449 10.42679 21.89817 9.482585 1.136326 
14.09387 
1 1 1 15  -1  33 o 21.46129 6.950752  66.15869       127.7532 41.02384       
270.0579 73.40513       145.0043 22.50922 10.65775 20.41336 8.925472 2.095860 
13.90150 
1 1 1 15  0   0  o 185.9998 5.350034  7294.670       414.2122 7218.276       
549.6633 7395.065       630.1124 184.9446 7.079068 187.0551 8.023605 -2.110474 
10.70007 
1 1 1 15  0   1  o 318.4656 9.805367  21659.45       1236.140 21898.08       
2141.868 21540.26       1513.671 318.7320 16.00619 318.1992 11.33061 0.5327454 
19.61073 
1 1 1 15  0   2  o 189.7422 6.135697  7644.205       467.8542 7712.558       
584.2598 7522.041       781.0850 191.1487 7.280410 188.3358 9.878397 2.812866 
12.27139 
1 1 1 15  0   3  o 175.8293 5.740406  6559.261       421.9350 6202.575       
615.0884 6876.282       579.8795 171.2301 8.556153 180.4286 7.655146 -9.198517 
11.48081 
1 1 1 15  0   4  o 107.1810 4.710151  2390.688       207.4771 2273.536       
264.6281 2577.596       334.2528 103.8624 6.068742 110.4995 7.205029 -6.637115 
9.420301 
1 1 1 15  0   5  o 226.3886 7.420045  10820.49       683.3365 10607.21       
861.6743 11181.94       1121.735 223.7298 9.173611 229.0473 11.66504 -5.317474 
14.84009 
1 1 1 15  0   6  o 118.3392 5.242966  2918.582       257.1560 3204.139       
403.6754 2723.553       333.6077 123.1024 7.810645 113.5761 6.996328 9.526260 
10.48593 
1 1 1 15  0   7  o 169.1577 5.924502  6049.182       399.5430 6025.393       
492.7751 6094.830       682.6053 168.9058 6.949049 169.4097 9.597376 
-0.5039215     11.84900 
1 1 1 15  0   8  o 31.97058 7.493075  202.2962       121.5604 114.8822       
177.3246 279.7970       166.9674 28.05134 10.74135 35.88983 10.45027 -7.838491 
14.98615 
1 1 1 15  0   9  o 143.9549 5.373067  4303.726       314.1499 4074.277       
392.4326 4713.110       524.1888 138.8473 6.732070 149.0625 8.376075 -10.21513 
10.74613 
1 1 1 15  0   10 o 141.2117 5.649370  4228.063       334.8521 4124.217       
467.9887 4336.999       479.3192 139.4350 7.994380 142.9885 7.984447 -3.553543 
11.29874 
1 1 1 15  0   11 o 176.0488 7.535550  6577.804       535.3372 6415.195       
666.9195 6872.385       897.6428 173.4887 9.156369 178.6089 11.97075 -5.120224 
15.07110 
1 1 1 15  0   12 o 108.9665 5.400765  2474.874       234.6595 2376.139       
287.1382 2673.419       407.1800 105.9402 6.455819 111.9928 8.659991 -6.052605 
10.80153 
1 1 1 15  0   13 o 189.3392 6.932787  7690.900       551.0607 7578.990       
774.7893 7805.465       783.9261 187.9392 9.819454 190.7392 9.789406 -2.799973 
13.86557 
1 1 1 15  0   14 o 129.2353 5.269529  3531.617       279.7313 3669.334       
447.8498 3443.519       358.1995 131.1151 8.135812 127.3556 6.699278 3.759476 
10.53906 
1 1 1 15  0   15 o 40.52930 7.722307  370.1126       134.1492 339.8129       
203.4449 393.4211       178.4368 39.17625 11.57676 41.88234 10.22324 -2.706093 
15.44461 
1 1 1 15  0   16 o 296.0308 10.74018  19519.39       1286.543 19693.18       
2118.320 19417.82       1619.432 294.6924 17.12157 297.3692 12.97143 -2.676727 
21.48037 
1 1 1 15  0   17 o 151.4793 5.341078  4877.582       339.1584 4652.498       
464.2904 5135.111       496.6255 147.7634 7.484176 155.1953 7.622045 -7.431961 
10.68216 
1 1 1 15  0   18 o 32.41094 8.152955  181.3053       142.4916 298.2904       
215.3463 90.19554       190.0443 37.32545 12.07045 27.49643 10.96298 9.829025 
16.30591 
1 1 1 15  0   19 o 91.44626 5.062079  1760.170       193.1022 2032.606       
292.3578 1549.341       257.1862 97.64880 7.131301 85.24373 7.186316 12.40507 
10.12416 
1 1 1 15  0   20 o 25.37347 7.606041  9.511816       143.6193 -75.85218      
213.1997 80.43131       194.3265 23.54399 10.51883 27.20296 10.98916 -3.658964 
15.21208 
1 1 1 15  0   21 o 94.54379 5.329819  1923.139       211.5033 1864.684       
296.4565 1983.735       301.8376 93.06561 7.587398 96.02198 7.487275 -2.956367 
10.65964 
1 1 1 15  0   22 o 66.94182 6.030681  966.9624       167.3721 1041.589       
261.5755 915.2268       217.7935 68.95221 9.035868 64.93143 7.989340 4.020775 
12.06136 
1 1 1 15  0   23 o 39.59061 7.639087  301.7792       147.3983 652.6965       
233.1165 68.03260       190.2582 53.03395 10.84430 26.14728 10.76215 26.88667 
15.27817 
1 1 1 15  0   24 o 42.52454 7.542614  427.1781       134.6013 444.9969       
188.2477 408.5386       192.5345 43.50655 10.42656 41.54253 10.90188 1.964020 
15.08523 
1 1 1 15  0   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  0   26 o 48.32925 7.104671  570.3428       141.2659 424.0068       
207.9332 695.7840       192.5166 41.18675 11.55733 55.47176 8.266417 -14.28501 
14.20934 
1 1 1 15  0   27 o 44.53924 8.684681  519.0312       167.4904 490.2795       
230.0727 551.4491       244.3016 43.29916 12.15930 45.77932 12.40347 -2.480164 
17.36936 
1 1 1 15  0   28 o 30.57859 8.412214  215.3164       140.5860 60.50048       
349.9993 245.1003       153.5147 29.76977 13.38361 31.38742 10.19511 -1.617647 
16.82443 
1 1 1 15  0   29 f 30.33542 8.680173  -29.12820      136.1563 654.6894       
357.1023 -145.4484      147.2822 44.34510 15.51524 16.32575 7.788395 28.01934 
17.36035 
1 1 1 15  0   30 o 47.03306 7.660351  686.5717       149.1130 390.2071       
281.3292 802.3583       175.8453 35.50570 13.54873 58.56042 7.152331 -23.05471 
15.32070 
1 1 1 15  0   31 o 30.45045 8.001204  251.6745       127.9726 299.5319       
239.4374 232.5366       151.4135 31.63748 12.39951 29.26342 10.11579 2.374056 
16.00241 
1 1 1 15  0   32 o 24.52832 7.024494  128.3469       123.1523 -20.53362      
189.4768 237.2448       162.0493 20.46056 9.438245 28.59608 10.40642 -8.135515 
14.04899 
1 1 1 15  0   33 o 23.72371 7.267532  143.6275       128.0792 72.74634       
264.7779 165.2790       146.3393 23.26301 10.88973 24.18439 9.627142 
-0.9213810     14.53506 
1 1 1 15  1   0  o 261.5074 7.179819  14370.92       763.9703 15045.44       
1257.177 13975.98       961.9654 266.0183 11.25656 256.9965 8.915657 9.021881 
14.35964 
1 1 1 15  1   1  o 230.2076 6.867268  11194.26       644.8237 11376.21       
1047.363 11083.19       818.2949 231.4614 10.77804 228.9537 8.513013 2.507751 
13.73454 
1 1 1 15  1   2  o 142.0951 4.699418  4259.275       278.8225 4279.234       
375.7259 4234.811       415.9666 142.4990 6.280301 141.6913 6.992563 0.8076935 
9.398836 
1 1 1 15  1   3  o 86.71332 4.723641  1586.646       171.6803 1562.901       
249.0223 1608.155       237.0081 86.08225 6.890420 87.34439 6.463224 -1.262138 
9.447283 
1 1 1 15  1   4  o 366.4987 9.427820  28712.57       1450.367 28426.49       
2064.848 28991.18       2037.680 364.6197 13.48867 368.3777 13.17540 -3.757996 
18.85564 
1 1 1 15  1   5  o 154.5711 5.760469  5036.177       370.2148 4950.261       
488.8024 5151.773       566.9786 153.0983 7.604734 156.0439 8.654480 -2.945587 
11.52094 
1 1 1 15  1   6  o 97.93677 4.883149  2026.222       200.5504 2116.397       
281.7956 1933.672       285.4825 100.1621 6.701190 95.71145 7.104550 4.450638 
9.766298 
1 1 1 15  1   7  o 167.8941 5.827330  5889.913       392.9085 5717.475       
485.7678 6216.170       668.1792 164.5634 7.030993 171.2248 9.294957 -6.661423 
11.65466 
1 1 1 15  1   8  o 203.3665 7.336586  8754.975       585.5674 8922.960       
1034.486 8675.774       710.3184 204.3201 12.05964 202.4129 8.358646 1.907227 
14.67317 
1 1 1 15  1   9  o 64.82229 5.651887  859.7185       151.0433 1063.160       
243.0865 731.7767       192.7733 70.84536 8.172792 58.79922 7.809019 12.04614 
11.30377 
1 1 1 15  1   10 o 132.7844 5.101417  3711.299       281.0444 3612.262       
368.0031 3849.898       435.3430 130.7396 6.704484 134.8291 7.690754 -4.089523 
10.20283 
1 1 1 15  1   11 o 97.59818 4.959962  1936.600       199.1109 1608.848       
253.0700 2469.148       322.5874 87.19760 6.912851 107.9987 7.114589 -20.80115 
9.919924 
1 1 1 15  1   12 o 55.54230 5.915979  676.2042       131.8684 743.5403       
176.4615 591.0421       198.4491 59.23753 7.095355 51.84708 9.468430 7.390457 
11.83196 
1 1 1 15  1   13 o 256.3357 9.582621  14383.27       942.0853 14169.23       
1713.539 14476.00       1127.836 252.9739 16.13390 259.6974 10.34426 -6.723465 
19.16524 
1 1 1 15  1   14 o 51.32195 6.711877  581.4211       139.0043 383.5396       
192.2133 798.3728       201.2623 41.41483 10.90405 61.22906 7.829355 -19.81423 
13.42375 
1 1 1 15  1   15 o 46.70281 7.044456  492.7227       136.5191 348.3467       
199.9478 618.8048       186.8512 39.58761 11.40656 53.81802 8.269691 -14.23041 
14.08891 
1 1 1 15  1   16 o 136.8122 5.371544  3985.503       308.1256 4284.517       
444.3022 3708.440       427.6837 141.7857 7.463924 131.8387 7.726821 9.946991 
10.74309 
1 1 1 15  1   17 o 148.5972 6.117083  4719.698       374.6084 4779.787       
590.1399 4679.146       484.8083 149.1107 9.426864 148.0836 7.798015 1.027039 
12.23417 
1 1 1 15  1   18 o 146.2959 5.611801  4580.268       342.6109 4679.698       
463.0478 4459.983       509.2977 148.2025 7.442029 144.3894 8.401513 3.813126 
11.22360 
1 1 1 15  1   19 o 44.77358 7.689913  456.7276       143.2407 395.3792       
214.2288 506.3311       192.6337 41.94912 11.71793 47.59804 9.961377 -5.648918 
15.37983 
1 1 1 15  1   20 o 94.43664 5.272606  1888.947       201.0975 1966.683       
336.3513 1845.700       250.8745 95.71974 8.369753 93.15353 6.414728 2.566208 
10.54521 
1 1 1 15  1   21 o 165.4740 6.605333  5958.027       420.8832 5907.989       
762.1127 5979.985       504.8541 163.8580 11.07829 167.0900 7.196752 -3.232010 
13.21067 
1 1 1 15  1   22 o 76.63459 5.692487  1276.992       182.0358 1203.561       
267.4879 1340.338       248.4410 74.42167 8.561024 78.84751 7.505098 -4.425842 
11.38497 
1 1 1 15  1   23 o 85.05222 6.014840  1568.917       210.8060 1197.396       
285.5357 2014.034       312.5404 73.76987 9.219395 96.33456 7.727610 -22.56468 
12.02968 
1 1 1 15  1   24 f 44.37088 7.404822  460.2430       136.1904 516.9497       
192.8383 403.8131       192.3671 47.26841 10.02212 41.47335 10.90333 5.795055 
14.80964 
1 1 1 15  1   25 o 45.10223 7.360941  481.2978       138.9942 634.4320       
199.8211 337.7463       193.4679 52.46226 9.413849 37.74219 11.31871 14.72007 
14.72188 
1 1 1 15  1   26 o 99.12617 8.286757  2204.590       344.8672 0.000000       
0.000000 2204.590       344.8672 ?        ?        99.12617 8.286757 ? ? 
1 1 1 15  1   27 o 39.01471 6.883517  409.2875       116.3881 200.3932       
217.0336 493.6124       137.8927 30.92204 11.87092 47.10739 6.972258 -16.18535 
13.76703 
1 1 1 15  1   28 o 54.50755 8.595509  806.3573       161.0866 703.6972       
363.1257 831.5096       179.7402 48.26854 15.67998 60.74654 7.047655 -12.47800 
17.19102 
1 1 1 15  1   29 o 39.21611 8.939408  422.9095       148.2276 384.5701       
376.8624 429.9261       161.2218 36.95834 15.16833 41.47388 9.464351 -4.515533 
17.87882 
1 1 1 15  1   30 o 32.51477 7.884801  289.8085       132.6433 208.1508       
222.7366 334.6812       165.1142 29.58051 11.84120 35.44904 10.41471 -5.868521 
15.76960 
1 1 1 15  1   31 o 40.88686 7.107517  498.0847       135.1378 235.8784       
223.9624 648.2077       169.4640 29.84933 11.90113 51.92439 7.773689 -22.07506 
14.21503 
1 1 1 15  1   32 o 32.32965 7.459470  309.8415       121.2734 221.5306       
192.9552 367.5036       155.9174 28.33887 11.12571 36.32043 9.939488 -7.981565 
14.91894 
1 1 1 15  1   33 o 31.86671 6.969954  359.3089       132.9149 -68.66582      
296.6465 466.8087       148.6736 22.43246 10.78528 41.30095 8.831692 -18.86848 
13.93991 
1 1 1 15  1   34 o 19.13165 6.456847  -31.42002      127.1037 -219.0851      
304.9223 8.045007       139.8311 20.05101 9.901175 18.21229 8.290370 1.838715 
12.91369 
1 1 1 15  2   0  o 214.2817 6.326876  9683.406       566.1967 10005.78       
850.9952 9427.357       758.4226 217.3998 9.323714 211.1636 8.554869 6.236282 
12.65375 
1 1 1 15  2   1  o 230.9354 6.851801  11252.52       642.6964 11468.30       
1055.834 11125.50       810.0606 232.4327 10.81980 229.4381 8.409555 2.994644 
13.70360 
1 1 1 15  2   2  o 136.5972 3.961446  3894.851       225.2907 4180.045       
345.9614 3684.861       296.8630 140.8833 5.849101 132.3111 5.344179 8.572235 
7.922893 
1 1 1 15  2   3  o 71.70781 4.526547  1079.514       134.7733 1110.763       
207.8250 1056.834       177.0491 72.58111 6.820173 70.83452 5.953466 1.746590 
9.053095 
1 1 1 15  2   4  o 168.1227 5.793422  5929.375       397.4151 5795.845       
503.0768 6151.028       648.1565 165.7433 7.229686 170.5020 9.054645 -4.758743 
11.58684 
1 1 1 15  2   5  o 290.5035 7.811407  17935.70       952.1102 17770.71       
1367.211 18091.05       1326.678 289.1373 11.26296 291.8698 10.82673 -2.732544 
15.62281 
1 1 1 15  2   6  f 116.6014 5.025631  2824.398       239.0932 3053.962       
393.3660 2689.900       301.0946 120.2391 7.792418 112.9637 6.348707 7.275406 
10.05126 
1 1 1 15  2   7  o 251.0834 7.602949  13380.45       793.5981 13257.32       
1049.321 13544.99       1213.029 249.9471 9.999568 252.2197 11.45548 -2.272537 
15.20590 
1 1 1 15  2   8  o 134.4472 5.222609  3864.404       269.3524 3703.913       
488.5547 3934.490       322.8521 132.2401 8.799765 136.6543 5.627317 -4.414169 
10.44522 
1 1 1 15  2   9  o 154.2818 6.524404  4905.304       387.5665 4699.215       
459.2544 5415.234       722.4052 149.1148 7.335903 159.4488 10.79147 -10.33394 
13.04881 
1 1 1 15  2   10 o 58.60249 7.673281  705.1736       162.0078 662.9493       
186.3026 836.1389       328.1071 55.95535 7.930458 61.24964 13.13868 -5.294296 
15.34656 
1 1 1 15  2   11 o 119.7789 4.743000  3031.784       238.4679 3061.946       
341.2024 3002.982       333.4212 120.3557 6.752532 119.2021 6.662394 1.153534 
9.485999 
1 1 1 15  2   12 o 215.2177 7.754725  9883.839       698.9231 10486.65       
1034.285 9377.227       948.1727 221.1636 11.13903 209.2719 10.79189 11.89177 
15.50945 
1 1 1 15  2   13 o 97.58267 4.937813  2016.364       202.1155 2138.700       
289.6105 1900.206       282.2025 100.4815 6.865138 94.68384 7.099146 5.797661 
9.875626 
1 1 1 15  2   14 o 134.5370 5.691684  3840.044       320.5475 3689.895       
433.9496 4020.358       475.5457 131.6988 7.848351 137.3753 8.245268 -5.676468 
11.38337 
1 1 1 15  2   15 o 244.4856 7.783721  12951.00       795.3923 13313.74       
1085.068 12529.70       1169.365 248.5747 10.39732 240.3966 11.58625 8.178040 
15.56744 
1 1 1 15  2   16 o 99.57089 5.018342  2109.550       206.5464 2106.929       
321.2677 2111.396       269.6636 99.40155 7.698303 99.74024 6.439809 
-0.3386917     10.03668 
1 1 1 15  2   17 o 128.8417 5.140501  3519.899       272.9701 3455.710       
352.4538 3616.114       431.5100 127.5468 6.581935 130.1365 7.897921 -2.589714 
10.28100 
1 1 1 15  2   18 o 49.51483 6.949225  540.2472       139.0410 631.3586       
207.1414 465.5329       187.5782 53.41589 9.584470 45.61377 10.06503 7.802128 
13.89845 
1 1 1 15  2   19 o 121.6329 5.265105  3154.414       260.5772 3145.803       
423.7121 3159.652       330.4562 121.2728 8.322014 121.9930 6.452085 
-0.7201691     10.53021 
1 1 1 15  2   20 o 91.23008 5.007646  1753.010       190.5031 1948.020       
290.8419 1606.477       252.1137 95.59187 7.246983 86.86829 6.912836 8.723572 
10.01529 
1 1 1 15  2   21 o 70.75056 4.978543  1068.312       147.7726 1051.469       
204.4837 1086.723       213.7908 70.18446 6.939672 71.31666 7.140344 -1.132195 
9.957086 
1 1 1 15  2   22 o 26.56286 7.601158  63.36294       134.0472 -7.046824      
183.9897 143.0156       195.6940 23.56125 10.17550 29.56447 11.29467 -6.003216 
15.20232 
1 1 1 15  2   23 o 136.4759 5.877410  4045.316       336.3374 4148.560       
490.2904 3953.543       462.2528 138.0333 8.460396 134.9185 8.160730 3.114731 
11.75482 
1 1 1 15  2   24 o 123.0115 4.389252  3249.852       226.6251 3184.871       
316.2408 3318.452       324.9284 121.7575 6.186472 124.2655 6.228137 -2.507950 
8.778504 
1 1 1 15  2   25 o 34.37376 7.084489  268.3044       126.2806 439.3215       
166.6577 37.73533       193.5112 43.62072 9.369839 25.12679 10.62855 18.49393 
14.16898 
1 1 1 15  2   26 o 38.78168 6.711385  372.2614       130.8611 594.5573       
169.6512 45.69563       205.6252 51.82257 7.797564 25.74080 10.92560 26.08177 
13.42277 
1 1 1 15  2   27 o 36.89286 6.291214  375.3765       120.9535 -59.18739      
221.1618 560.8213       144.4743 23.38450 10.56886 50.40122 6.827641 -27.01672 
12.58243 
1 1 1 15  2   28 o 40.63888 15.31260  451.5831       355.6335 451.5831       
355.6335 0.000000       0.000000 40.63888 15.31260 ?        ?        ? ? 
1 1 1 15  2   29 o 28.23070 8.044088  160.2343       134.0860 16.24072       
313.7928 192.3994       148.3078 27.91668 12.60466 28.54471 9.997604 
-0.6280308     16.08818 
1 1 1 15  2   30 o 37.03383 7.898716  348.6220       125.8983 444.3939       
224.9152 304.9211       151.9308 39.71092 12.26425 34.35674 9.957254 5.354183 
15.79743 
1 1 1 15  2   31 o 24.55024 7.312341  100.2128       124.5501 68.72227       
217.7823 115.5185       151.8307 24.86593 10.90478 24.23456 9.745102 0.6313725 
14.62468 
1 1 1 15  2   32 o 56.31737 6.555326  831.9918       142.5769 748.4780       
232.7071 882.1828       180.4029 51.61384 11.05901 61.02090 7.041838 -9.407063 
13.11065 
1 1 1 15  2   33 o 25.50972 7.732720  142.8191       127.4230 164.8843       
293.8846 137.7107       141.4060 27.09185 12.21707 23.92760 9.482772 3.164257 
15.46544 
1 1 1 15  2   34 o 25.08941 8.110495  88.32445       131.7395 492.6735       
355.6248 24.00992       141.8301 31.26538 13.80920 18.91344 8.510371 12.35194 
16.22099 
1 1 1 15  3   0  o 122.0556 4.615465  3126.763       228.4008 3089.490       
287.0201 3191.118       377.1451 121.1309 5.643889 122.9803 7.304558 -1.849457 
9.230929 
1 1 1 15  3   1  o 141.7220 4.870115  4265.310       287.1560 3961.715       
426.4221 4517.219       388.4312 137.0248 7.412447 146.4192 6.318837 -9.394424 
9.740230 
1 1 1 15  3   2  o 90.08502 4.068527  1717.282       153.0546 1597.357       
223.1037 1823.900       210.3615 87.08202 6.102383 93.08803 5.382617 -6.006012 
8.137053 
1 1 1 15  3   3  o 112.2855 4.017626  2637.687       188.7277 2860.932       
281.7151 2455.917       254.2028 116.5640 5.756610 108.0070 5.605954 8.556999 
8.035252 
1 1 1 15  3   4  o 132.3808 4.546676  3704.415       251.8808 3489.870       
363.9079 3901.727       348.9868 128.6649 6.736782 136.0966 6.107769 -7.431747 
9.093352 
1 1 1 15  3   5  o 122.9216 4.677804  3156.736       230.0363 3093.668       
283.6638 3277.880       393.1438 121.2185 5.573861 124.6247 7.513954 -3.406174 
9.355609 
1 1 1 15  3   6  o 171.4598 5.423266  6187.728       385.4546 6327.254       
597.2632 6088.135       504.6063 173.0374 8.221421 169.8822 7.074990 3.155136 
10.84653 
1 1 1 15  3   7  o 160.6321 5.402507  5415.504       348.3532 5563.840       
589.4362 5335.885       431.8378 162.1750 8.657128 159.0892 6.465482 3.085815 
10.80501 
1 1 1 15  3   8  f 97.09520 4.529304  1981.048       183.1258 2040.279       
279.0743 1936.258       242.6807 98.34061 6.759398 95.84978 6.030665 2.490829 
9.058608 
1 1 1 15  3   9  o 24.26368 7.101425  -51.18771      136.8717 151.4959       
181.9429 -315.4344      207.7449 29.91106 11.01278 18.61629 8.968810 11.29477 
14.20285 
1 1 1 15  3   10 o 96.82417 4.727259  1981.948       191.6090 2017.767       
262.6028 1941.165       280.2050 97.78441 6.396623 95.86395 6.962122 1.920464 
9.454518 
1 1 1 15  3   11 o 72.38324 4.549368  1119.401       133.7816 1051.694       
214.9798 1162.191       170.9056 70.51784 7.261390 74.24863 5.482630 -3.730797 
9.098737 
1 1 1 15  3   12 o 94.55091 4.721649  1884.667       185.9300 1930.614       
282.8097 1849.689       246.7525 95.52477 7.051790 93.57706 6.280776 1.947708 
9.443298 
1 1 1 15  3   13 o 88.86858 4.876752  1663.679       181.1450 1756.828       
271.8470 1589.287       242.9389 91.07124 7.109915 86.66592 6.676823 4.405319 
9.753505 
1 1 1 15  3   14 o 105.0378 4.824576  2324.812       211.8524 2474.742       
317.7946 2204.889       284.2183 108.0422 7.006065 102.0334 6.634845 6.008812 
9.649152 
1 1 1 15  3   15 o 106.4017 4.053508  2392.436       180.3020 2415.881       
268.2160 2373.106       243.5376 106.8419 5.979492 105.9615 5.474431 0.8803787 
8.107017 
1 1 1 15  3   16 o 25.44678 7.248098  -16.95943      132.3052 194.3685       
198.4083 -186.1738      177.5415 32.20241 11.53485 18.69116 8.779917 13.51125 
14.49620 
1 1 1 15  3   17 o 82.26925 5.008709  1438.742       172.8481 1406.703       
238.5676 1474.144       250.7775 81.32105 6.987625 83.21745 7.177866 -1.896393 
10.01742 
1 1 1 15  3   18 o 67.36650 4.872527  844.4185       128.7526 1378.742       
238.6498 625.0435       152.9159 80.49820 7.061483 54.23481 6.715767 26.26339 
9.745053 
1 1 1 15  3   19 o 152.2936 6.355147  4979.571       405.7403 4869.606       
585.7887 5080.976       562.5249 150.5736 9.266448 154.0137 8.699684 -3.440125 
12.71029 
1 1 1 15  3   20 o 60.39082 6.371382  783.2985       161.3440 778.0080       
233.5254 788.1304       223.1759 60.15997 9.245866 60.62167 8.768807 
-0.4616966     12.74276 
1 1 1 15  3   21 o 158.2179 6.939567  5388.654       450.6773 5539.264       
720.6541 5291.921       577.5499 159.5538 10.75823 156.8820 8.768747 2.671875 
13.87913 
1 1 1 15  3   22 o 70.82405 5.850147  1079.299       172.8849 1094.627       
259.9329 1067.140       231.5189 71.17812 8.698327 70.46999 7.825342 0.7081375 
11.70029 
1 1 1 15  3   23 o 64.57182 5.995453  907.1766       160.4250 731.4233       
222.8979 1096.059       231.0734 57.88525 9.171895 71.25841 7.723871 -13.37316 
11.99091 
1 1 1 15  3   24 o 31.16544 7.557124  152.8502       129.3416 8.902747       
168.6806 358.2538       201.4963 22.96004 9.824874 39.37084 11.48531 -16.41081 
15.11425 
1 1 1 15  3   25 o 41.81735 7.539009  393.8994       131.1783 323.9774       
168.0958 502.8013       209.7818 37.35352 10.36214 46.28119 10.95320 -8.927670 
15.07802 
1 1 1 15  3   26 o 39.85397 7.629091  377.9672       128.0194 385.3365       
160.2278 364.9581       212.8856 40.63173 9.544575 39.07621 11.90434 1.555527 
15.25818 
1 1 1 15  3   27 o 28.22599 7.426816  147.8875       108.9903 202.8576       
202.5247 125.4770       129.3125 31.16882 11.59257 25.28316 9.286696 5.885658 
14.85363 
1 1 1 15  3   28 o 83.29140 6.588181  1373.459       177.0349 2032.871       
446.9650 1250.760       192.8033 91.08383 11.68835 75.49896 6.082675 15.58487 
13.17636 
1 1 1 15  3   29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  3   30 o 36.68898 7.101920  375.7570       133.6762 76.90636       
222.0524 545.6238       167.4105 25.97162 11.19706 47.40633 8.739274 -21.43471 
14.20384 
1 1 1 15  3   31 f 29.79153 7.915618  203.4439       129.2355 316.2908       
221.5957 145.2778       159.0931 33.69296 12.17814 25.89010 10.11538 7.802860 
15.83124 
1 1 1 15  3   32 f 44.30778 7.993133  580.4473       143.6139 492.5425       
290.6673 608.8369       165.1846 38.34840 13.93900 50.26715 7.827200 -11.91875 
15.98627 
1 1 1 15  3   33 o 20.91571 7.066940  -121.8630      127.9779 132.1580       
289.8713 -183.3652      142.6316 26.97739 12.15116 14.85404 7.219136 12.12335 
14.13388 
1 1 1 15  3   34 o 26.93434 7.394045  226.1054       132.5642 -54.59163      
302.6837 292.7246       147.4585 22.71095 10.91315 31.15774 9.979513 -8.446795 
14.78809 
1 1 1 15  3   35 o 34.80885 7.554044  483.6924       145.4011 210.5149       
317.1390 556.3975       163.6098 25.73636 12.00084 43.88134 9.177919 -18.14498 
15.10809 
1 1 1 15  4   0  o 131.7503 4.516648  3622.231       242.6199 3805.449       
397.6316 3513.561       306.2315 134.3226 7.051033 129.1780 5.646538 5.144608 
9.033297 
1 1 1 15  4   1  o 207.1761 6.182586  9105.214       519.9351 9198.883       
658.2448 8949.819       847.8216 208.7894 7.509310 205.5627 9.823836 3.226654 
12.36517 
1 1 1 15  4   2  o 119.7995 4.308723  2996.326       214.2506 3193.506       
333.0266 2857.084       279.8549 123.1087 6.443341 116.4903 5.722216 6.618484 
8.617447 
1 1 1 15  4   3  o 53.79739 5.646681  607.6531       127.0232 689.9792       
186.8291 536.8854       173.2179 57.17480 7.783248 50.41997 8.182976 6.754833 
11.29336 
1 1 1 15  4   4  o 177.6465 5.411233  6650.784       393.0971 6619.384       
501.5099 6700.813       633.0279 177.2092 6.740844 178.0837 8.466806 
-0.8745117     10.82247 
1 1 1 15  4   5  o 145.3080 4.574924  4429.591       273.8755 4551.623       
433.7185 4348.663       353.2013 146.9140 7.031788 143.7021 5.854373 3.211960 
9.149848 
1 1 1 15  4   6  o 145.8768 5.434320  4385.778       327.9534 5127.863       
521.0605 3898.962       422.0305 155.8228 7.964863 135.9308 7.395153 19.89198 
10.86864 
1 1 1 15  4   7  o 118.3842 4.878498  2943.221       240.2933 2865.363       
317.3189 3047.889       367.9205 116.5894 6.482732 120.1791 7.291991 -3.589722 
9.756995 
1 1 1 15  4   8  o 66.50923 5.714274  935.0275       159.0630 1034.739       
227.8041 840.1622       222.1988 69.98775 7.752836 63.03070 8.396739 6.957054 
11.42855 
1 1 1 15  4   9  o 180.0539 7.911724  6902.098       596.9696 6917.442       
820.3875 6884.830       870.3075 180.3443 10.83522 179.7635 11.53168 0.5808411 
15.82345 
1 1 1 15  4   10 o 78.55255 4.825154  1301.848       159.0288 1323.912       
229.7444 1281.552       220.3510 79.18549 6.910673 77.91962 6.735802 1.265877 
9.650308 
1 1 1 15  4   11 o 74.44833 4.170753  1133.443       128.3590 1407.794       
203.5220 952.2362       165.4034 81.69990 5.933499 67.19677 5.862962 14.50313 
8.341507 
1 1 1 15  4   12 o 83.17178 4.850880  1472.359       167.2647 1391.799       
253.5113 1534.465       222.5898 81.09149 7.446345 85.25208 6.219011 -4.160591 
9.701760 
1 1 1 15  4   13 o 75.23945 5.615222  1123.979       171.3733 1631.389       
284.8476 836.1242       214.5455 87.71611 7.734892 62.76279 8.142133 24.95332 
11.23044 
1 1 1 15  4   14 o 171.9277 6.151863  6297.626       414.6171 6283.337       
730.1127 6304.428       503.7197 171.3447 10.14940 172.5107 6.954950 -1.166016 
12.30373 
1 1 1 15  4   15 o 221.5359 6.085887  10459.90       565.0187 10575.49       
826.0992 10358.30       774.5078 222.5897 8.839918 220.4820 8.367075 2.107635 
12.17177 
1 1 1 15  4   16 o 83.20834 4.793803  1454.773       159.2078 1517.315       
273.5582 1422.740       195.7801 84.41116 7.719177 82.00552 5.686519 2.405640 
9.587606 
1 1 1 15  4   17 o 32.40562 7.775084  178.2903       134.6074 346.4028       
202.5951 45.42335       180.1098 39.50487 11.51407 25.30638 10.45151 14.19848 
15.55017 
1 1 1 15  4   18 o 34.77537 7.503321  263.0397       123.3045 337.8987       
167.7362 175.0249       181.8790 38.85725 10.16564 30.69349 11.03898 8.163763 
15.00664 
1 1 1 15  4   19 o 67.76268 5.815508  981.6756       165.3914 1010.324       
233.8931 953.0244       233.9045 68.76977 8.101042 66.75560 8.345878 2.014168 
11.63102 
1 1 1 15  4   20 o 90.11691 5.421541  1651.156       197.9164 2430.670       
316.4647 1150.422       253.6396 106.8819 7.052487 73.35195 8.236191 33.52993 
10.84308 
1 1 1 15  4   21 o 65.81293 6.130518  930.2292       169.2286 891.2261       
240.5520 968.4470       238.1174 64.40812 8.895891 67.21775 8.437779 -2.809631 
12.26104 
1 1 1 15  4   22 f 84.63757 4.991161  1516.475       175.7683 1628.709       
270.6657 1434.630       231.1362 87.25176 7.388904 82.02337 6.711993 5.228394 
9.982322 
1 1 1 15  4   23 o 113.6747 5.164506  2752.681       241.7183 2664.604       
310.5983 2887.949       384.9179 111.6130 6.628348 115.7365 7.921710 -4.123436 
10.32901 
1 1 1 15  4   24 o 29.22503 7.778792  151.1761       129.0381 169.1006       
167.0791 124.6809       203.1340 29.46006 10.58181 28.98999 11.40454 0.4700718 
15.55758 
1 1 1 15  4   25 o 38.72826 7.608027  355.1665       130.8227 424.9975       
172.4846 260.5880       200.7348 42.96831 9.778383 34.48820 11.65811 8.480106 
15.21605 
1 1 1 15  4   26 o 25.18245 7.189298  81.22234       108.9257 84.30692       
202.6118 79.96841       129.1820 27.13513 11.12682 23.22978 9.107027 3.905350 
14.37860 
1 1 1 15  4   27 o 72.72148 5.022917  1218.666       136.8878 1019.072       
246.0975 1308.085       164.7215 67.39540 8.697570 78.04757 5.027034 -10.65217 
10.04583 
1 1 1 15  4   28 o 86.02023 5.349012  1641.282       156.7448 1670.280       
340.4936 1633.484       176.5662 84.96037 9.545828 87.08010 4.829585 -2.119728 
10.69802 
1 1 1 15  4   29 o 74.24826 5.384370  1292.896       159.3404 1055.422       
252.2217 1450.622       205.5542 67.35377 8.919523 81.14275 6.033894 -13.78898 
10.76874 
1 1 1 15  4   30 o 28.94153 7.496480  189.9400       130.0275 14.21958       
219.9294 284.3699       161.2230 24.39826 10.80712 33.48480 10.39206 -9.086546 
14.99296 
1 1 1 15  4   31 o 20.15414 6.561723  -68.58351      128.5496 -183.2893      
214.2716 -4.082459      160.6776 19.61153 9.364993 20.69676 9.193570 -1.085230 
13.12345 
1 1 1 15  4   32 o 45.89310 8.837173  511.8506       144.1340 857.7405       
339.7194 435.9192       159.1702 50.73769 14.94911 41.04852 9.429038 9.689175 
17.67435 
1 1 1 15  4   33 o 19.91828 6.673125  -78.34821      135.3987 -925.3450      
415.0145 22.54465       143.2362 19.81116 10.02316 20.02541 8.812418 
-0.2142506     13.34625 
1 1 1 15  4   34 f 21.71421 7.158916  7.226973       130.5907 -5.284817      
309.1188 9.945108       144.0792 24.22145 11.43795 19.20696 8.612413 5.014492 
14.31783 
1 1 1 15  4   35 o 21.23067 6.975986  41.02050       130.0518 27.33362       
285.2242 44.61292       146.1259 22.80396 10.86928 19.65738 8.747362 3.146585 
13.95197 
1 1 1 15  5   0  o 186.7427 5.452719  7355.327       414.1008 7334.200       
523.8995 7390.505       676.0111 186.5170 6.690376 186.9684 8.612053 
-0.4513550     10.90544 
1 1 1 15  5   1  o 115.1704 4.525813  2800.825       218.1518 3054.046       
308.4445 2547.378       308.5821 120.4098 6.101495 109.9310 6.686081 10.47881 
9.051625 
1 1 1 15  5   2  o 112.5659 4.289262  2656.529       201.9969 2364.630       
276.3725 2991.284       295.9666 105.9488 6.213268 119.1830 5.914928 -13.23424 
8.578524 
1 1 1 15  5   3  o 72.91671 4.368579  1121.054       133.2584 1133.811       
181.5417 1106.149       196.2253 73.37823 5.892914 72.45519 6.450697 0.9230347 
8.737158 
1 1 1 15  5   4  o 106.9399 4.440118  2413.307       198.9871 2549.389       
279.2444 2272.920       283.6273 110.0218 6.045424 103.8581 6.504724 6.163719 
8.880236 
1 1 1 15  5   5  o 191.0790 7.126369  7739.926       571.1411 7852.743       
794.0897 7619.020       822.0677 192.5664 9.822230 189.5916 10.32784 2.974792 
14.25274 
1 1 1 15  5   6  o 183.8571 5.443771  7137.094       419.2162 7109.960       
613.6036 7160.846       574.0895 183.4935 7.965047 184.2206 7.422709 
-0.7271576     10.88754 
1 1 1 15  5   7  o 104.4805 5.193288  2289.014       226.2151 2421.656       
344.4039 2188.366       300.0050 107.1019 7.659350 101.8590 7.015362 5.242897 
10.38658 
1 1 1 15  5   8  o 404.8430 15.80753  36127.78       2491.975 36084.23       
3014.753 36221.71       4427.816 408.2026 17.59126 401.4833 26.26897 6.719269 
31.61505 
1 1 1 15  5   9  o 97.10124 4.494509  2004.426       181.5816 2159.601       
247.4054 1823.235       267.3422 101.2430 5.820565 92.95946 6.850070 8.283577 
8.989017 
1 1 1 15  5   10 o 139.8622 5.124484  4115.984       298.6915 4009.480       
396.7292 4255.355       453.8336 137.8260 6.856208 141.8984 7.617989 -4.072327 
10.24897 
1 1 1 15  5   11 o 112.7740 4.406966  2674.156       202.2018 2718.732       
330.6999 2647.540       255.5332 113.4548 6.942758 112.0931 5.429871 1.361748 
8.813931 
1 1 1 15  5   12 f 175.6495 5.987896  6397.614       424.2426 7057.086       
720.7659 6048.025       524.7770 182.2123 9.421882 169.0868 7.392412 13.12549 
11.97579 
1 1 1 15  5   13 o 160.7377 5.875821  5402.880       372.5953 5254.378       
452.1426 5717.124       657.7218 157.6284 6.832222 163.8470 9.561476 -6.218552 
11.75164 
1 1 1 15  5   14 o 171.7089 6.299972  6297.154       423.3208 6221.378       
745.9911 6333.145       514.1130 170.5003 10.42148 172.9174 7.081756 -2.417084 
12.59994 
1 1 1 15  5   15 f 68.38295 5.146143  953.8174       144.6936 1269.147       
230.6468 749.1839       185.8033 77.35972 7.101559 59.40619 7.449768 17.95353 
10.29229 
1 1 1 15  5   16 o 38.02061 7.412491  319.9201       119.0961 314.4183       
199.2286 322.9793       148.5626 37.94660 11.50741 38.09462 9.346643 
-0.1480255     14.82498 
1 1 1 15  5   17 f 184.5558 6.614599  7325.073       511.4074 7671.321       
712.6083 6957.364       734.3607 189.2250 8.970021 179.8866 9.723702 9.338364 
13.22920 
1 1 1 15  5   18 o 22.09059 6.836698  -50.35474      121.7173 -110.7472      
162.2265 27.43123       184.1116 19.28375 8.828541 24.89743 10.44120 -5.613680 
13.67340 
1 1 1 15  5   19 o 98.08744 4.425474  1990.660       175.2998 1867.119       
216.8991 2223.351       297.6756 93.92552 5.500412 102.2494 6.934317 -8.323837 
8.850948 
1 1 1 15  5   20 o 112.2679 4.925549  2684.532       229.3563 2707.332       
302.6184 2653.759       351.5774 112.9456 6.381860 111.5902 7.504397 1.355324 
9.851097 
1 1 1 15  5   21 f 148.8240 6.203912  4743.403       387.2530 4918.143       
563.0665 4586.562       533.4497 151.3897 8.858994 146.2584 8.687480 5.131317 
12.40782 
1 1 1 15  5   22 o 56.34176 7.085441  686.8944       163.1388 794.5291       
250.1680 607.2548       215.1892 60.58480 9.835333 52.09872 10.20197 8.486088 
14.17088 
1 1 1 15  5   23 o 129.7801 4.913775  3611.301       254.6346 3630.436       
315.5075 3575.552       431.2445 130.6572 5.751718 128.9030 7.968594 1.754166 
9.827550 
1 1 1 15  5   24 f 57.38869 5.973237  699.8315       142.3143 608.1423       
185.4422 831.2042       221.9741 52.93805 8.343757 61.83934 8.549850 -8.901287 
11.94647 
1 1 1 15  5   25 o 67.53922 5.642342  951.0408       156.6104 773.7924       
199.1316 1238.439       253.5659 59.64254 7.952527 75.43588 8.006336 -15.79334 
11.28468 
1 1 1 15  5   26 o 33.41802 6.785557  282.2429       112.9357 7.049478       
216.7168 384.8376       132.3233 25.50358 11.02927 41.33247 7.907608 -15.82888 
13.57111 
1 1 1 15  5   27 o 35.93176 6.642173  334.9813       110.2417 94.40652       
208.6771 428.1156       129.8389 27.59163 11.29941 44.27189 6.985505 -16.68027 
13.28435 
1 1 1 15  5   28 o 38.73244 8.269239  334.9006       130.7557 454.2313       
262.9332 295.6937       150.7130 42.24432 13.30357 35.22056 9.825283 7.023762 
16.53848 
1 1 1 15  5   29 o 27.02468 7.315493  144.6496       116.7059 12.92888       
222.9829 194.3453       136.9633 25.07495 11.01508 28.97442 9.629839 -3.899471 
14.63099 
1 1 1 15  5   30 o 55.59029 6.373921  712.6237       134.2139 798.8983       
243.2862 674.8798       160.9160 56.48256 10.64921 54.69803 7.007266 1.784534 
12.74784 
1 1 1 15  5   31 o 37.57604 8.128368  364.9190       135.8426 454.6726       
227.4763 315.1704       169.3560 40.40798 12.30463 34.74410 10.62439 5.663879 
16.25674 
1 1 1 15  5   32 o 22.71614 11.10789  -370.9500      353.2027 -370.9500      
353.2027 0.000000       0.000000 22.71614 11.10789 ?        ?        ? ? 
1 1 1 15  5   33 o 35.99138 8.686749  386.6205       143.5884 374.2911       
354.9154 389.0335       157.0119 33.88280 14.36625 38.09996 9.769812 -4.217163 
17.37350 
1 1 1 15  5   34 o 34.48174 7.234313  405.7487       136.1441 9.750319       
310.1516 500.2637       151.5226 24.96454 11.70402 43.99893 8.506297 -19.03439 
14.46863 
1 1 1 15  5   35 o 28.27534 7.478694  268.6800       137.9014 5.955088       
283.8832 349.8226       157.7661 22.94265 10.89327 33.60804 10.24989 -10.66539 
14.95739 
1 1 1 15  6   0  o 84.13037 3.786708  1493.385       133.4297 1561.751       
185.3462 1419.840       192.2385 86.14356 5.124859 82.11717 5.576060 4.026390 
7.573416 
1 1 1 15  6   1  o 69.10094 4.323993  1006.187       125.4006 1020.798       
175.8990 991.0870       178.8235 69.61501 6.018408 68.58686 6.210186 1.028152 
8.647985 
1 1 1 15  6   2  o 153.5485 4.978436  4945.985       314.8634 5103.164       
499.4098 4842.289       405.6406 155.4997 7.649771 151.5972 6.373404 3.902573 
9.956871 
1 1 1 15  6   3  o 186.0313 6.515442  7346.764       503.0739 7505.664       
667.3654 7137.629       765.6202 188.4846 8.433519 183.5780 9.933765 4.906647 
13.03088 
1 1 1 15  6   4  o 137.2049 4.520364  3966.579       260.2857 4112.218       
369.4456 3823.043       366.7682 139.7131 6.298463 134.6967 6.485685 5.016418 
9.040728 
1 1 1 15  6   5  o 101.4146 4.451814  2111.472       185.6296 2436.151       
301.5208 1913.303       235.5634 107.5095 6.680233 95.31979 5.886345 12.18968 
8.903627 
1 1 1 15  6   6  o 119.6962 4.747995  2982.939       225.5334 2909.036       
275.3803 3133.489       393.0458 117.5497 5.579976 121.8427 7.683599 -4.292984 
9.495990 
1 1 1 15  6   7  o 123.3331 5.037722  3194.296       257.9531 3302.628       
398.3156 3116.042       338.5335 125.0861 7.584713 121.5800 6.632247 3.506180 
10.07544 
1 1 1 15  6   8  o 199.6787 7.491061  8465.801       627.1801 8426.247       
909.1422 8501.717       866.3384 199.1745 10.87224 200.1830 10.30817 -1.008530 
14.98212 
1 1 1 15  6   9  o 300.5505 7.504651  19156.61       944.2657 18778.77       
1282.542 19603.85       1395.368 297.4326 10.27079 303.6684 10.94486 -6.235809 
15.00930 
1 1 1 15  6   10 o 54.82409 6.116843  646.9534       137.2941 589.8781       
194.9730 703.0901       193.3633 51.98351 9.266630 57.66468 7.987030 -5.681171 
12.23369 
1 1 1 15  6   11 o 98.40486 4.261604  2021.406       174.3580 1904.443       
228.5723 2184.182       269.6456 95.05585 5.727509 101.7539 6.311950 -6.698021 
8.523208 
1 1 1 15  6   12 o 153.7983 5.600460  4997.417       360.9561 5172.668       
529.9812 4845.792       492.9646 156.2819 8.077424 151.3148 7.759887 4.967072 
11.20092 
1 1 1 15  6   13 o 62.77484 5.657156  835.4395       149.0508 827.1200       
212.7370 843.4612       208.8948 62.45926 8.112735 63.09043 7.886518 
-0.6311760     11.31431 
1 1 1 15  6   14 o 63.50428 5.692626  852.0151       150.2945 883.8303       
230.9070 828.6287       197.9710 64.48527 8.528992 62.52330 7.541901 1.961967 
11.38525 
1 1 1 15  6   15 o 157.4163 6.122927  4945.387       331.3805 5874.122       
745.4003 4716.617       369.9494 165.4404 10.73171 149.3922 5.898417 16.04822 
12.24585 
1 1 1 15  6   16 o 160.2604 5.275742  5374.615       331.3936 5689.651       
592.3113 5231.062       399.8304 163.2958 8.639650 157.2250 6.057249 6.070816 
10.55148 
1 1 1 15  6   17 o 164.3167 5.613653  5775.642       385.6588 6038.000       
530.0181 5480.444       562.2125 168.4328 7.495231 160.2006 8.359060 8.232224 
11.22731 
1 1 1 15  6   18 o 77.41836 4.886307  1287.037       156.7814 1177.158       
235.0672 1375.082       210.4194 74.31953 7.533731 80.51718 6.224699 -6.197647 
9.772614 
1 1 1 15  6   19 o 109.5964 4.855842  2575.159       220.4035 2704.308       
293.3567 2407.772       333.9737 112.9094 6.188523 106.2834 7.484584 6.625938 
9.711684 
1 1 1 15  6   20 o 63.59808 6.000507  863.9853       160.0635 901.7302       
232.6621 830.0676       220.5511 64.90707 8.537971 62.28909 8.433704 2.617981 
12.00101 
1 1 1 15  6   21 o 58.46038 6.707895  753.1362       159.0117 660.5193       
231.6413 835.6724       218.6718 54.42298 10.51329 62.49778 8.333918 -8.074802 
13.41579 
1 1 1 15  6   22 o 80.28077 4.458702  1388.273       147.1615 1261.288       
226.2804 1481.350       193.7268 76.94279 7.004869 83.61875 5.518324 -6.675964 
8.917404 
1 1 1 15  6   23 o 167.0550 5.972252  5845.573       380.9085 5621.606       
449.2867 6418.006       718.2827 162.3564 6.591362 171.7535 9.961180 -9.397141 
11.94450 
1 1 1 15  6   24 o 110.6906 4.435181  2607.938       205.7299 2436.567       
281.2575 2805.139       301.7099 106.7940 6.273047 114.5873 6.271540 -7.793343 
8.870362 
1 1 1 15  6   25 o 49.56594 7.662414  567.9866       155.1531 522.8714       
220.5836 612.1620       218.2739 47.43111 11.23570 51.70077 10.42159 -4.269657 
15.32483 
1 1 1 15  6   26 o 28.05430 6.772061  114.7147       95.55959 294.5206       
171.8821 34.27501       114.9646 35.80941 10.65437 20.29920 8.362273 15.51021 
13.54412 
1 1 1 15  6   27 o 43.09846 6.905032  459.6619       113.8999 338.4027       
218.0900 505.1407       133.5621 37.94157 12.13487 48.25535 6.592632 -10.31378 
13.81006 
1 1 1 15  6   28 o 22.64400 7.155971  -86.11624      123.7596 97.85847       
240.7546 -152.1908      144.2822 28.80211 12.00069 16.48590 7.798399 12.31621 
14.31194 
1 1 1 15  6   29 o 55.10850 6.163076  649.7063       134.7660 838.5712       
242.7842 565.5976       162.0186 60.02061 9.634762 50.19639 7.688004 9.824223 
12.32615 
1 1 1 15  6   30 o 27.07978 7.487113  143.5695       122.5020 42.13941       
227.9074 184.7806       145.2722 25.80062 11.23610 28.35894 9.898354 -2.558321 
14.97423 
1 1 1 15  6   31 o 69.33874 5.478804  1065.279       145.9092 1233.497       
273.5390 998.3822       172.4991 71.81678 9.072238 66.86069 6.145215 4.956085 
10.95761 
1 1 1 15  6   32 o 38.62078 8.924852  357.9362       127.6227 571.0938       
357.1699 326.7381       136.6435 41.26979 15.38588 35.97176 9.049129 5.298027 
17.84970 
1 1 1 15  6   33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  6   34 o 26.88168 7.976653  165.2231       131.3922 112.5651       
332.6866 174.9546       143.0188 27.58274 12.63421 26.18062 9.740872 1.402119 
15.95331 
1 1 1 15  6   35 o 21.12419 6.616828  38.22294       123.4178 -245.6933      
253.2988 126.6094       141.3288 19.08434 9.349401 23.16404 9.365808 -4.079691 
13.23366 
1 1 1 15  6   36 o 24.45647 7.222075  174.1481       120.9214 152.0399       
222.2195 183.4482       144.1280 24.10804 10.75578 24.80491 9.640885 
-0.6968727     14.44415 
1 1 1 15  7   0  o 47.82816 5.700268  499.7336       109.3129 625.3182       
154.4194 373.5867       154.7648 54.45319 6.754600 41.20314 9.184094 13.25006 
11.40054 
1 1 1 15  7   1  o 212.3209 5.938834  9543.316       524.9305 9651.060       
700.7425 9405.543       792.4077 213.7869 7.807258 210.8549 8.951297 2.931915 
11.87767 
1 1 1 15  7   2  o 213.1211 6.290250  9602.358       560.1915 9570.825       
756.0317 9640.747       834.1821 212.8084 8.461987 213.4338 9.309337 
-0.6254425     12.58050 
1 1 1 15  7   3  o 198.2148 6.784218  8297.529       558.5423 8182.580       
735.7158 8453.916       858.1363 196.7135 8.908343 199.7161 10.23445 -3.002548 
13.56844 
1 1 1 15  7   4  o 190.1493 5.440263  7636.378       427.3534 7601.211       
665.7051 7661.029       557.3631 189.6841 8.359343 190.6145 6.964715 
-0.9304657     10.88053 
1 1 1 15  7   5  o 195.3815 6.226662  8051.986       498.8564 8157.022       
798.2621 7984.680       639.0004 196.2791 9.687073 194.4839 7.825975 1.795151 
12.45332 
1 1 1 15  7   6  o 269.2728 7.505028  15320.94       833.3438 15699.36       
1314.676 15066.76       1077.460 271.7910 11.52139 266.7547 9.620778 5.036224 
15.01006 
1 1 1 15  7   7  o 161.5562 6.812850  5534.929       461.4024 5699.381       
641.5871 5358.767       664.0349 164.0918 9.313005 159.0205 9.946236 5.071259 
13.62570 
1 1 1 15  7   8  o 254.6005 8.118293  13710.81       813.3564 13570.56       
988.7445 14004.35       1430.459 253.1660 9.302502 256.0349 13.30752 -2.868912 
16.23659 
1 1 1 15  7   9  o 81.38255 4.511767  1434.480       148.9257 1582.097       
193.8436 1221.836       232.6540 86.68497 5.326338 76.08012 7.283839 10.60486 
9.023535 
1 1 1 15  7   10 o 150.3729 5.549007  4826.758       345.9444 5156.473       
464.5716 4416.359       518.3057 156.2905 7.080128 144.4553 8.546209 11.83521 
11.09801 
1 1 1 15  7   11 o 306.6579 10.91675  20274.96       1384.002 20097.26       
1804.158 20529.06       2157.428 305.7678 14.05413 307.5479 16.70877 -1.780121 
21.83350 
1 1 1 15  7   12 o 173.0363 7.029371  6283.932       502.3200 6824.417       
797.5791 5928.603       646.6924 178.9632 10.61527 167.1094 9.217605 11.85384 
14.05874 
1 1 1 15  7   13 o 118.7970 4.945685  2955.847       245.1978 3240.909       
372.4358 2737.762       325.7572 123.7834 7.166545 113.8106 6.817612 9.972809 
9.891370 
1 1 1 15  7   14 o 67.51025 5.556518  963.7844       157.2596 1024.350       
229.8558 910.4872       215.6232 69.49668 7.877936 65.52382 7.838218 3.972862 
11.11304 
1 1 1 15  7   15 o 225.1623 6.434387  10667.34       594.7027 11466.02       
960.5774 10170.94       757.2892 231.5991 9.879084 218.7255 8.246760 12.87355 
12.86877 
1 1 1 15  7   16 o 270.9215 8.894095  15928.93       1010.301 15876.93       
1464.986 15976.09       1395.135 270.2629 12.91124 271.5801 12.23599 -1.317169 
17.78819 
1 1 1 15  7   17 o 124.6938 5.302187  3226.016       273.1197 3772.128       
436.5284 2874.723       350.1115 133.0793 7.813095 116.3083 7.169958 16.77097 
10.60437 
1 1 1 15  7   18 o 241.2003 7.658177  12657.43       752.4833 12293.91       
1209.712 12886.87       961.0389 237.4353 12.13550 244.9653 9.344528 -7.530045 
15.31635 
1 1 1 15  7   19 o 23.21619 7.212932  -46.24231      136.7895 -109.3777      
202.8297 6.429451       185.2611 22.16739 10.06238 24.26500 10.33702 -2.097614 
14.42586 
1 1 1 15  7   20 o 212.4198 7.359835  9765.465       654.4991 10013.08       
900.0083 9487.534       953.5103 215.5450 9.945569 209.2946 10.85147 6.250458 
14.71967 
1 1 1 15  7   21 o 102.1219 5.335949  2250.042       225.5887 2012.292       
336.6260 2443.855       303.9340 97.00977 8.265199 107.2341 6.750992 -10.22428 
10.67190 
1 1 1 15  7   22 o 88.20487 4.876011  1741.168       168.0002 1941.310       
210.6730 1391.592       278.4265 95.78291 5.238921 80.62683 8.225306 15.15608 
9.752023 
1 1 1 15  7   23 o 78.08212 5.180374  1269.031       167.4851 1091.940       
216.3810 1533.696       264.5265 71.48856 7.209476 84.67568 7.441003 -13.18712 
10.36075 
1 1 1 15  7   24 o 130.3738 4.897452  3416.495       213.2224 3279.883       
236.0186 4022.969       497.2881 124.4644 4.516709 136.2831 8.691346 -11.81870 
9.794905 
1 1 1 15  7   25 o 105.7551 4.128157  2377.147       172.9949 2424.159       
299.8823 2353.699       211.7876 106.2388 6.723395 105.2715 4.791937 0.9673615 
8.256313 
1 1 1 15  7   26 o 84.46602 4.831543  1540.400       146.8775 1538.161       
296.4968 1541.128       169.0815 83.82255 8.425199 85.10948 4.731941 -1.286934 
9.663086 
1 1 1 15  7   27 o 67.44701 4.807682  853.7237       121.1403 1302.903       
250.6149 716.7760       138.3804 77.13425 7.738927 57.75977 5.706506 19.37448 
9.615363 
1 1 1 15  7   28 o 25.42404 6.969230  85.32197       120.6998 -195.2875      
224.4964 199.4169       143.1500 21.00031 9.867019 29.84777 9.844929 -8.847458 
13.93846 
1 1 1 15  7   29 o 74.45564 5.233785  1193.789       146.2948 1325.484       
283.1150 1145.815       170.8758 76.26736 8.841891 72.64391 5.602766 3.623444 
10.46757 
1 1 1 15  7   30 o 24.48096 7.313454  55.48373       117.9926 106.1613       
221.7059 35.45757       139.3696 27.59778 11.50863 21.36415 9.027620 6.233629 
14.62691 
1 1 1 15  7   31 o 45.37188 7.584787  439.3225       124.3975 738.8325       
265.9470 355.4387       140.7436 52.60159 12.25807 38.14217 8.936206 14.45942 
15.16957 
1 1 1 15  7   32 o 39.07330 6.892416  230.1064       108.8428 817.7094       
242.1021 81.25694       121.8513 56.23864 10.64098 21.90794 8.763053 34.33070 
13.78483 
1 1 1 15  7   33 o 60.82701 6.344811  940.1531       137.3299 849.8138       
254.2874 977.3510       163.1717 55.91005 11.22848 65.74397 5.911668 -9.833923 
12.68962 
1 1 1 15  7   34 o 31.96709 9.214992  128.4531       116.7826 778.3930       
404.0872 69.22099       121.9880 43.12140 16.30104 20.81277 8.598866 22.30863 
18.42998 
1 1 1 15  7   35 o 21.38008 6.644482  46.45409       118.6588 -113.6286      
217.2928 114.4747       141.6424 19.81530 9.454784 22.94485 9.338287 -3.129549 
13.28896 
1 1 1 15  7   36 o 24.23608 7.180025  162.2327       123.1809 96.37202       
225.8784 190.1102       146.9565 23.14412 10.53576 25.32805 9.757501 -2.183933 
14.36005 
1 1 1 15  8   0  o 239.5289 6.526906  12146.56       655.7941 12006.79       
906.5214 12300.01       949.8616 238.1217 9.067762 240.9362 9.390299 -2.814453 
13.05381 
1 1 1 15  8   1  f 62.87817 4.491296  831.2452       118.2785 862.0698       
174.5732 805.0879       160.8148 63.94690 6.502480 61.80944 6.197155 2.137459 
8.982593 
1 1 1 15  8   2  o 46.51384 5.771523  462.9307       110.3179 499.0579       
160.5266 430.5990       151.8602 48.61196 7.865475 44.41573 8.448446 4.196236 
11.54305 
1 1 1 15  8   3  o 162.7614 5.223855  5595.040       346.5225 5611.455       
440.5042 5568.392       561.2613 163.1770 6.430019 162.3458 8.234652 0.8312073 
10.44771 
1 1 1 15  8   4  o 37.54816 7.442593  306.8777       121.0997 306.4030       
186.1564 307.2259       159.4500 37.67110 11.05554 37.42522 9.967137 0.2458801 
14.88519 
1 1 1 15  8   5  f 194.5593 6.501431  8011.636       530.6185 8421.055       
753.0828 7607.981       747.7612 199.5309 8.989875 189.5878 9.394498 9.943054 
13.00286 
1 1 1 15  8   6  o 123.0236 5.643725  3194.898       288.4932 3186.304       
381.4023 3206.389       441.0482 122.8830 7.392862 123.1642 8.529486 
-0.2811432     11.28745 
1 1 1 15  8   7  o 119.1495 4.373346  2881.510       207.0184 2673.401       
250.7318 3327.234       366.9415 112.6975 5.299273 125.6016 6.958616 -12.90410 
8.746693 
1 1 1 15  8   8  o 130.6199 4.658331  3592.111       245.1675 3579.122       
306.1361 3615.340       409.3824 130.3706 5.593143 130.8692 7.450970 
-0.4985962     9.316663 
1 1 1 15  8   9  o 28.95496 7.459817  103.3910       127.1593 263.1762       
188.4225 -30.24455      172.3159 35.46130 11.27306 22.44862 9.773106 13.01268 
14.91963 
1 1 1 15  8   10 o 155.9571 4.531861  5133.196       295.1583 5090.605       
439.6617 5168.139       398.2394 155.3295 6.741951 156.5846 6.057818 -1.255081 
9.063723 
1 1 1 15  8   11 o 194.0159 6.528852  8000.081       530.4869 8296.197       
733.9622 7676.188       767.6120 197.8665 8.835326 190.1653 9.614607 7.701141 
13.05770 
1 1 1 15  8   12 o 165.2209 6.269808  5795.002       432.3820 5741.091       
645.5196 5838.872       582.3143 164.4280 9.350930 166.0139 8.354765 -1.585876 
12.53962 
1 1 1 15  8   13 o 48.74947 6.328533  510.4746       125.2590 371.8894       
169.6727 676.4700       185.6955 40.98377 9.947365 56.51517 7.826317 -15.53140 
12.65707 
1 1 1 15  8   14 o 129.0374 5.561369  3525.110       300.7727 3619.210       
440.5619 3442.966       411.6247 130.6199 8.033758 127.4550 7.692467 3.164879 
11.12274 
1 1 1 15  8   15 o 169.3969 6.666770  6082.723       467.0291 6345.726       
732.5928 5902.654       606.1779 172.2518 10.13025 166.5420 8.669567 5.709808 
13.33354 
1 1 1 15  8   16 o 158.0622 6.379034  5236.806       415.4483 5824.571       
667.0328 4864.299       531.0215 164.9941 9.629414 151.1304 8.369151 13.86371 
12.75807 
1 1 1 15  8   17 o 104.4761 5.042721  2314.940       220.8887 2386.670       
322.5717 2251.607       303.1040 105.9769 7.249968 102.9753 7.010999 3.001656 
10.08544 
1 1 1 15  8   18 o 121.1716 5.553944  3162.573       278.6980 2902.978       
419.5529 3367.586       372.8455 116.4931 8.578428 125.8502 7.056608 -9.357147 
11.10789 
1 1 1 15  8   19 o 93.79371 4.654733  1891.762       177.4158 1770.701       
284.4128 1968.877       226.9944 91.15558 7.431678 96.43184 5.606810 -5.276260 
9.309465 
1 1 1 15  8   20 o 158.0065 4.809953  5305.857       318.0157 5315.342       
469.3455 5297.805       432.4063 158.0576 7.072914 157.9554 6.520466 0.1022186 
9.619905 
1 1 1 15  8   21 o 69.12537 5.436128  990.4525       154.6543 757.4714       
202.1954 1318.918       240.0800 59.54539 8.088058 78.70536 7.265622 -19.15997 
10.87226 
1 1 1 15  8   22 o 86.89986 4.467573  1550.450       146.8479 1485.544       
171.8698 1725.956       282.6205 83.83927 4.882849 89.96046 7.482955 -6.121185 
8.935145 
1 1 1 15  8   23 o 215.1056 6.291135  9991.553       565.4119 9623.040       
831.8298 10308.03       770.8714 211.1035 9.385558 219.1077 8.380025 -8.004196 
12.58227 
1 1 1 15  8   24 o 125.4008 4.626741  3417.632       238.2113 2997.489       
362.8769 3735.786       315.7762 118.2451 7.309659 132.5564 5.674136 -14.31124 
9.253482 
1 1 1 15  8   25 o 24.66510 7.037045  66.10704       114.5638 -103.4166      
215.0723 133.2634       135.3670 22.82735 10.36186 26.50286 9.524277 -3.675508 
14.07409 
1 1 1 15  8   26 o 48.50606 6.740790  626.5499       121.2142 310.1103       
218.8707 766.5438       145.5784 37.15815 12.17337 59.85396 5.793288 -22.69581 
13.48158 
1 1 1 15  8   27 o 73.95982 4.759230  1239.952       136.6665 1016.055       
230.3382 1361.596       169.7806 68.07832 8.058946 79.84132 5.065024 -11.76300 
9.518459 
1 1 1 15  8   28 o 26.11946 7.555345  47.28778       124.1279 188.9725       
225.8936 -13.99887      148.5681 31.60624 12.11740 20.63268 9.027819 10.97356 
15.11069 
1 1 1 15  8   29 o 41.15359 7.359196  386.8712       115.5221 458.0214       
227.8876 362.2642       134.0179 42.80342 12.12775 39.50377 8.339588 3.299652 
14.71839 
1 1 1 15  8   30 o 63.66148 5.414535  922.4872       129.4877 888.4597       
240.7558 936.3366       153.5947 61.80513 9.278405 65.51784 5.583899 -3.712708 
10.82907 
1 1 1 15  8   31 o 40.14632 7.215219  429.5553       118.8998 303.6476       
233.9676 473.3931       138.0556 34.56116 12.51136 45.73149 7.190514 -11.17033 
14.43044 
1 1 1 15  8   32 o 19.02369 6.281369  -75.04947      112.6324 -232.0458      
233.3032 -27.33843      128.6131 19.92609 9.576460 18.12129 8.131040 1.804796 
12.56274 
1 1 1 15  8   33 f 44.46504 7.425512  492.0983       120.8433 599.8253       
248.6662 458.7914       138.2681 45.36755 12.60902 43.56253 7.846375 1.805023 
14.85102 
1 1 1 15  8   34 o 29.86388 6.596825  262.8445       97.46100 17.37119       
242.7291 310.0262       106.4159 24.07567 10.94961 35.65208 7.360599 -11.57641 
13.19365 
1 1 1 15  8   35 o 40.88109 8.021873  499.8950       132.4412 517.9661       
275.0764 494.4416       151.1088 38.02653 13.58575 43.73565 8.533994 -5.709126 
16.04375 
1 1 1 15  8   36 o 22.86234 10.42023  70.34018       222.4319 70.34018       
222.4319 0.000000       0.000000 22.86234 10.42023 ?        ?        ? ? 
1 1 1 15  9   0  o 165.0242 6.567126  5744.501       454.9902 0.000000       
0.000000 5744.501       454.9902 ?        ?        165.0242 6.567126 ? ? 
1 1 1 15  9   1  f 17.99090 5.684071  -81.66768      92.19744 -181.8485      
133.2129 10.44093       127.7334 15.36591 7.348698 20.61589 8.673596 -5.249982 
11.36814 
1 1 1 15  9   2  o 78.42727 4.012007  1279.393       131.2680 1455.659       
199.3991 1144.573       174.3868 83.13382 5.713030 73.72072 5.634367 9.413101 
8.024014 
1 1 1 15  9   3  o 151.0741 4.829547  4807.105       306.1123 5043.710       
441.6021 4588.257       424.7083 154.6508 6.801428 147.4973 6.858476 7.153458 
9.659095 
1 1 1 15  9   4  o 101.5067 4.599504  2112.081       190.9371 2431.567       
315.2631 1927.006       239.9504 107.3693 6.993816 95.64413 5.975638 11.72514 
9.199007 
1 1 1 15  9   5  o 72.16679 4.736095  1109.080       141.7294 1290.037       
198.6270 921.3781       202.2947 78.25346 6.045828 66.08012 7.291800 12.17335 
9.472190 
1 1 1 15  9   6  o 82.33226 4.968151  1410.277       167.6396 1898.036       
252.8152 1027.519       223.9559 94.90110 6.345314 69.76343 7.646377 25.13767 
9.936301 
1 1 1 15  9   7  o 151.5065 5.837369  4865.992       365.7317 4939.682       
479.6849 4763.679       565.2231 152.9737 7.468964 150.0393 8.972964 2.934372 
11.67474 
1 1 1 15  9   8  o 71.61111 4.425146  1080.834       132.9446 1136.407       
189.2291 1026.669       186.8182 73.43428 6.137764 69.78795 6.376168 3.646332 
8.850291 
1 1 1 15  9   9  o 109.9881 4.780329  2545.612       217.1195 2586.982       
340.4073 2517.240       281.9064 110.6926 7.324890 109.2836 6.144279 1.409019 
9.560658 
1 1 1 15  9   10 o 246.3764 9.220873  12935.96       943.1404 13341.59       
1455.206 12642.16       1238.460 249.3745 13.89932 243.3784 12.12052 5.996063 
18.44175 
1 1 1 15  9   11 o 157.5372 4.698753  5165.264       305.8951 5636.067       
485.0616 4854.397       394.1527 163.3586 7.072550 151.7157 6.188066 11.64282 
9.397507 
1 1 1 15  9   12 o 195.8216 6.644484  7876.415       491.4684 8762.408       
947.8681 7550.642       574.7641 202.6445 11.14125 188.9987 7.243557 13.64584 
13.28897 
1 1 1 15  9   13 o 268.6491 7.957502  15449.92       893.3409 15646.80       
1211.315 15215.15       1322.781 270.7804 10.65518 266.5178 11.82178 4.262665 
15.91500 
1 1 1 15  9   14 o 314.1937 10.85885  21399.21       1420.410 22404.65       
2171.833 20647.70       1877.653 319.9806 16.16680 308.4067 14.50148 11.57382 
21.71770 
1 1 1 15  9   15 o 142.2751 6.103039  4212.357       358.7844 4836.621       
572.3523 3808.260       460.4922 150.6737 9.047885 133.8764 8.192931 16.79729 
12.20608 
1 1 1 15  9   16 o 88.27554 5.003874  1640.146       184.7293 1806.859       
276.2244 1505.255       248.4679 92.29654 7.128492 84.25455 7.024218 8.041985 
10.00775 
1 1 1 15  9   17 o 205.8790 6.486207  9089.870       546.0889 8981.865       
874.0914 9159.014       699.3745 204.4167 10.18501 207.3413 8.034245 -2.924530 
12.97241 
1 1 1 15  9   18 o 66.03048 5.149231  901.3999       140.1460 700.1331       
183.0073 1186.804       217.9276 57.32966 7.603441 74.73130 6.945934 -17.40164 
10.29846 
1 1 1 15  9   19 o 58.77431 6.186680  741.2747       152.4438 711.1626       
218.2281 769.9725       213.0417 57.56791 9.029243 59.98071 8.460073 -2.412796 
12.37336 
1 1 1 15  9   20 o 116.0347 5.305530  2851.296       256.2762 3007.194       
392.6967 2735.645       338.2303 118.6892 7.880744 113.3803 7.105523 5.308914 
10.61106 
1 1 1 15  9   21 o 122.4167 5.078059  3152.101       244.0353 3085.485       
295.2474 3295.748       433.5551 120.6862 5.827063 124.1472 8.318178 -3.461082 
10.15612 
1 1 1 15  9   22 o 37.34632 7.876250  305.1763       130.5381 297.7021       
167.0055 316.9140       209.2860 36.60694 10.38532 38.08571 11.84425 -1.478775 
15.75250 
1 1 1 15  9   23 o 79.86978 5.277112  1381.097       173.6442 1483.408       
230.2351 1246.125       264.4434 83.50190 6.567442 76.23767 8.261981 7.264229 
10.55422 
1 1 1 15  9   24 o 71.43784 5.053761  1174.102       131.1770 919.0430       
243.8697 1277.945       155.6055 65.18756 8.910748 77.68813 4.770802 -12.50056 
10.10752 
1 1 1 15  9   25 o 32.27948 6.837218  245.9643       117.0686 -65.98266      
222.7186 365.0570       137.6127 24.22157 10.78820 40.33739 8.402679 -16.11582 
13.67444 
1 1 1 15  9   26 f 55.64833 5.810172  585.9496       123.9045 913.8145       
244.5025 472.6572       143.7263 64.53599 9.024070 46.76068 7.321105 17.77531 
11.62034 
1 1 1 15  9   27 o 114.6975 4.948056  2638.188       196.7666 3243.704       
439.5408 2486.428       220.0471 121.3898 8.624582 108.0052 4.852796 13.38457 
9.896112 
1 1 1 15  9   28 o 108.4168 4.848016  2544.646       208.4859 2603.318       
360.2467 2515.099       255.6483 108.7203 7.892428 108.1134 5.632284 0.6068726 
9.696033 
1 1 1 15  9   29 o 24.07885 7.155815  51.17883       121.0349 -81.87407      
226.1969 104.5575       143.2710 23.31665 10.59526 24.84106 9.620981 -1.524410 
14.31163 
1 1 1 15  9   30 o 26.05796 7.422893  57.86557       114.5442 237.2685       
221.8471 -7.345184      133.7515 32.55739 12.12821 19.55854 8.561767 12.99885 
14.84579 
1 1 1 15  9   31 o 41.89658 6.933123  384.0212       113.1369 598.3331       
208.6954 294.8233       134.6380 48.98890 10.45488 34.80426 9.108693 14.18464 
13.86625 
1 1 1 15  9   32 o 23.19965 7.131406  36.09105       113.4871 81.57860       
228.7841 21.24549       130.7007 26.40861 11.37525 19.99069 8.604151 6.417915 
14.26281 
1 1 1 15  9   33 o 38.41537 8.025743  360.6197       124.1547 528.4320       
249.8463 305.5934       143.0693 42.38792 12.89305 34.44282 9.561343 7.945103 
16.05149 
1 1 1 15  9   34 o 48.90630 6.166553  603.6156       107.0033 577.5469       
207.3073 613.0830       124.9318 45.73632 10.92949 52.07629 5.714180 -6.339977 
12.33311 
1 1 1 15  9   35 o 28.56536 7.607878  212.7569       110.3226 230.3161       
249.4995 208.4893       123.0005 29.09312 12.17535 28.03760 9.125787 1.055519 
15.21576 
1 1 1 15  9   36 o 22.13267 6.551070  59.47415       124.1198 -333.3610      
237.9091 206.3828       145.4888 17.42435 8.638207 26.84099 9.851266 -9.416634 
13.10214 
1 1 1 15  9   37 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  10  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  10  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  10  2  o 144.6416 5.278026  4360.486       316.1947 4762.048       
497.3406 4088.055       409.6435 150.1057 7.891833 139.1774 7.010651 10.92825 
10.55605 
1 1 1 15  10  3  o 210.4738 5.920987  9347.598       517.5225 9506.785       
795.4158 9230.744       681.4943 211.9158 8.940299 209.0318 7.765526 2.883911 
11.84197 
1 1 1 15  10  4  o 242.8446 7.216736  12570.16       714.2258 12268.43       
1150.534 12759.34       911.0176 240.1386 11.41192 245.5507 8.837038 -5.412064 
14.43347 
1 1 1 15  10  5  f 86.40546 4.474116  1573.673       162.3026 1578.886       
229.4992 1568.457       229.5618 86.54926 6.315954 86.26167 6.338737 0.2875977 
8.948233 
1 1 1 15  10  6  o 104.1202 4.247691  2273.798       182.2936 2231.089       
235.2989 2337.918       288.3071 102.9372 5.444634 105.3032 6.521309 -2.366020 
8.495381 
1 1 1 15  10  7  f 106.0486 4.476956  2357.848       198.6216 2225.644       
267.5031 2520.288       296.5194 102.7626 6.200331 109.3347 6.459755 -6.572174 
8.953912 
1 1 1 15  10  8  o 161.4337 5.831220  5401.825       387.1117 6036.556       
626.0236 5008.857       492.5772 168.8749 8.829715 153.9924 7.618965 14.88243 
11.66244 
1 1 1 15  10  9  o 194.7181 6.715147  8041.701       548.6737 8332.240       
775.5212 7750.531       776.3632 198.2770 9.316277 191.1591 9.673663 7.117859 
13.43029 
1 1 1 15  10  10 o 88.94093 4.202866  1646.593       155.9411 1471.776       
207.1446 1875.255       236.9082 83.56288 5.904475 94.31898 5.982766 -10.75610 
8.405731 
1 1 1 15  10  11 o 72.36958 5.631369  1076.210       168.3319 1388.592       
262.9067 859.1763       219.1399 81.03014 7.728161 63.70902 8.192973 17.32113 
11.26274 
1 1 1 15  10  12 o 130.0237 5.023170  3552.636       273.4164 3879.380       
405.1767 3279.448       370.4861 135.4790 7.123502 124.5683 7.084114 10.91072 
10.04634 
1 1 1 15  10  13 o 148.9272 5.525335  4730.813       342.1732 4990.090       
461.4411 4414.087       510.0074 153.5999 7.155605 144.2546 8.421083 9.345337 
11.05067 
1 1 1 15  10  14 o 53.81550 6.322656  622.9807       138.6297 734.9891       
202.4154 524.0279       190.2533 58.84969 8.192575 48.78131 9.632530 10.06837 
12.64531 
1 1 1 15  10  15 o 27.04040 7.634511  81.88051       130.1591 83.53914       
192.7325 80.48975       176.4842 27.54266 11.01925 26.53814 10.56973 1.004522 
15.26902 
1 1 1 15  10  16 o 193.9809 5.672267  8022.414       456.9103 7865.860       
695.6797 8141.175       605.9176 192.1155 8.625175 195.8463 7.369181 -3.730789 
11.34453 
1 1 1 15  10  17 o 141.4057 5.146198  4241.343       297.1652 4217.564       
378.2675 4279.677       480.2743 141.0846 6.386170 141.7269 8.071571 
-0.6423035     10.29240 
1 1 1 15  10  18 o 190.4690 6.951526  7769.656       514.4664 7889.146       
923.7381 7715.927       619.4265 190.6640 11.53988 190.2739 7.754105 0.3901672 
13.90305 
1 1 1 15  10  19 o 194.1840 6.527860  8026.023       529.7245 8934.860       
796.2656 7304.449       709.5057 203.9238 9.300603 184.4442 9.162456 19.47957 
13.05572 
1 1 1 15  10  20 o 186.4981 6.475987  7421.896       493.3434 7268.709       
626.3035 7672.343       800.8163 184.4388 8.088234 188.5575 10.11603 -4.118713 
12.95197 
1 1 1 15  10  21 o 40.36024 6.820361  385.3107       114.0730 453.8259       
139.4102 246.4922       198.4377 46.17594 7.191175 34.54453 11.59122 11.63140 
13.64072 
1 1 1 15  10  22 f 58.34515 5.706831  727.8691       136.0401 729.0688       
173.6783 725.9642       218.8338 58.52827 7.068070 58.16204 8.961810 0.3662262 
11.41366 
1 1 1 15  10  23 o 27.37534 7.367324  122.5529       113.0888 38.99988       
213.4123 155.1752       133.3508 26.91282 11.26153 27.83786 9.501992 
-0.9250431     14.73465 
1 1 1 15  10  24 o 50.17828 6.612616  506.2231       123.8890 714.2710       
236.8253 427.8383       145.3659 56.41534 10.38818 43.94122 8.184891 12.47412 
13.22523 
1 1 1 15  10  25 o 62.75502 6.653533  964.1171       138.9026 701.9714       
273.0525 1055.639       161.3379 55.06620 12.13748 70.44385 5.455247 -15.37765 
13.30707 
1 1 1 15  10  26 o 34.44919 7.744403  248.8148       116.7769 307.1477       
219.2066 225.7003       137.9871 37.11943 12.18270 31.77895 9.564771 5.340485 
15.48881 
1 1 1 15  10  27 o 22.47544 6.912931  3.686320       111.0417 -37.79686      
215.1388 18.75057       129.6452 24.27605 10.72904 20.67483 8.720214 3.601219 
13.82586 
1 1 1 15  10  28 o 67.54209 5.485538  1028.475       139.2733 934.7038       
255.6396 1068.055       166.0855 64.59001 9.427225 70.49417 5.611765 -5.904160 
10.97108 
1 1 1 15  10  29 o 94.47516 3.988213  1938.908       147.0909 1901.006       
259.3282 1956.886       178.5993 93.27619 6.622167 95.67413 4.446377 -2.397934 
7.976425 
1 1 1 15  10  30 o 74.52394 5.393729  1201.270       153.0422 1348.100       
290.0409 1144.615       180.1647 76.64882 9.013113 72.39906 5.927313 4.249756 
10.78746 
1 1 1 15  10  31 o 44.02343 7.167135  491.7842       114.8585 426.8353       
242.2449 510.6198       130.4545 40.10048 12.78559 47.94638 6.480735 -7.845905 
14.33427 
1 1 1 15  10  32 o 49.79528 5.946217  579.7507       112.8830 608.2148       
199.2216 566.2905       136.9975 49.37170 9.960347 50.21886 6.497805 
-0.8471680     11.89243 
1 1 1 15  10  33 o 33.20747 7.585404  289.9036       112.2609 259.7618       
238.3262 298.4983       127.2637 31.82597 12.39167 34.58898 8.752145 -2.763006 
15.17081 
1 1 1 15  10  34 o 40.41033 7.447465  377.1939       108.2430 590.8933       
242.3241 323.9262       120.9837 44.73381 12.45186 36.08686 8.173741 8.646950 
14.89493 
1 1 1 15  10  35 o 17.17948 5.788196  -90.17349      102.2207 -356.4632      
241.3100 -31.93995      112.8456 17.93755 8.845642 16.42140 7.467761 1.516148 
11.57639 
1 1 1 15  10  36 f 30.00664 7.679891  161.4313       106.2028 551.4092       
244.2458 70.50851       117.9352 39.79990 12.85332 20.21338 8.409229 19.58652 
15.35978 
1 1 1 15  10  37 o 24.34882 7.012387  167.7184       107.8220 148.2581       
213.3898 174.3901       124.9452 24.08032 10.65844 24.61731 9.115477 
-0.5369816     14.02477 
1 1 1 15  11  0  o 36.00729 6.716343  289.2999       107.5026 390.0851       
146.4215 171.4389       158.3403 42.15327 8.571509 29.86130 10.34245 12.29198 
13.43269 
1 1 1 15  11  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  11  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  11  3  o 219.3235 10.61121  10226.94       977.0778 0.000000       
0.000000 10226.94       977.0778 ?        ?        219.3235 10.61121 ? ? 
1 1 1 15  11  4  o 209.6386 6.041332  9298.515       531.6569 9395.868       
759.0004 9204.732       744.9493 210.7086 8.579873 208.5686 8.507442 2.140015 
12.08266 
1 1 1 15  11  5  o 199.0321 7.405543  8226.111       558.4896 7985.663       
656.2164 8857.895       1063.701 194.3583 8.042020 203.7059 12.43761 -9.347672 
14.81109 
1 1 1 15  11  6  o 151.7877 5.289878  4861.005       336.9315 5055.876       
485.1963 4679.515       468.2421 154.7243 7.469303 148.8512 7.492714 5.873047 
10.57976 
1 1 1 15  11  7  o 119.2759 4.839206  3013.804       237.8498 2937.308       
371.4185 3066.982       309.6775 117.9261 7.501958 120.6257 6.114923 -2.699539 
9.678411 
1 1 1 15  11  8  o 25.44305 6.828366  33.90920       118.7068 -181.6774      
176.7072 211.2104       160.2504 18.83765 8.832075 32.04845 10.41637 -13.21080 
13.65673 
1 1 1 15  11  9  o 105.2796 4.311097  2342.419       190.0421 2232.441       
274.7197 2443.346       263.1722 102.8841 6.360083 107.6751 5.821646 -4.791016 
8.622193 
1 1 1 15  11  10 o 117.9106 5.234344  2931.049       257.8357 3005.570       
386.3097 2871.184       346.2415 119.2249 7.717733 116.5963 7.073191 2.628555 
10.46869 
1 1 1 15  11  11 o 289.3833 7.607714  17822.95       916.1026 17995.76       
1393.761 17691.50       1215.572 290.3397 11.43412 288.4270 10.03843 1.912689 
15.21543 
1 1 1 15  11  12 o 208.9636 6.735535  9297.281       584.8649 9174.031       
889.6990 9391.073       776.1312 207.5473 10.21050 210.3799 8.787229 -2.832596 
13.47107 
1 1 1 15  11  13 o 130.5857 4.921062  3559.900       248.0149 3723.248       
454.9273 3490.818       295.8467 132.5087 8.177467 128.6628 5.476899 3.845856 
9.842123 
1 1 1 15  11  14 o 82.04462 5.320319  1432.617       181.4418 1378.963       
273.7131 1474.675       242.3371 80.60828 8.087921 83.48095 6.914384 -2.872665 
10.64064 
1 1 1 15  11  15 o 35.19702 7.827981  253.7817       133.8823 362.5853       
191.6056 149.9802       187.1494 40.43927 10.99711 29.95477 11.14328 10.48450 
15.65596 
1 1 1 15  11  16 o 304.3018 10.18917  20352.78       1274.116 20694.73       
1652.082 19850.88       2001.530 308.8362 12.74162 299.7674 15.90372 9.068756 
20.37835 
1 1 1 15  11  17 o 67.01960 5.819848  990.7485       157.9321 750.7502       
234.9933 1188.447       213.2814 59.19406 9.455805 74.84515 6.787507 -15.65109 
11.63970 
1 1 1 15  11  18 o 266.7930 9.782345  15633.59       1090.202 15319.98       
1464.468 16023.42       1632.786 264.3581 13.19496 269.2280 14.44541 -4.869934 
19.56469 
1 1 1 15  11  19 o 26.55246 7.462767  81.27095       125.9954 126.8468       
171.9258 28.39696       185.1803 28.10822 10.63071 24.99670 10.47662 3.111519 
14.92553 
1 1 1 15  11  20 o 59.77273 5.325971  787.8592       122.1641 832.2746       
148.1880 693.6445       215.8268 62.69487 5.629918 56.85059 9.042560 5.844288 
10.65194 
1 1 1 15  11  21 o 61.91626 5.502687  833.0611       137.7824 881.9260       
176.0909 755.9113       221.2613 64.45086 6.507727 59.38166 8.875120 5.069195 
11.00537 
1 1 1 15  11  22 o 75.52080 5.473485  1226.312       172.0621 1375.200       
239.7720 1068.239       247.0566 80.37991 7.105128 70.66167 8.327865 9.718239 
10.94697 
1 1 1 15  11  23 o 22.06056 6.814753  -63.35873      110.0186 72.16599       
205.7770 -117.6047      130.1882 27.61069 11.24945 16.51042 7.695017 11.10027 
13.62951 
1 1 1 15  11  24 o 45.49880 6.941545  545.4228       121.9443 248.6109       
230.4081 660.9122       143.7237 35.26446 12.45036 55.73314 6.142369 -20.46869 
13.88309 
1 1 1 15  11  25 o 64.84964 5.402448  922.9183       127.6350 868.6257       
249.2623 942.2125       148.5933 63.11422 9.406982 66.58506 5.315494 -3.470837 
10.80490 
1 1 1 15  11  26 o 93.49467 4.274242  1782.380       148.1418 2061.607       
296.6628 1689.621       170.9866 97.76251 7.227894 89.22684 4.564442 8.535675 
8.548484 
1 1 1 15  11  27 o 30.80385 7.308794  211.0199       114.0774 72.69324       
212.9890 266.6644       135.0876 27.44605 11.35216 34.16165 9.208819 -6.715599 
14.61759 
1 1 1 15  11  28 o 32.36771 6.923950  262.7251       111.3068 -4.393671      
230.2086 344.2234       127.1581 25.80761 11.26538 38.92781 8.053298 -13.12020 
13.84790 
1 1 1 15  11  29 o 34.58138 7.795778  257.0970       115.1265 338.5051       
229.1412 229.6079       133.1527 37.65740 12.45571 31.50536 9.378266 6.152039 
15.59156 
1 1 1 15  11  30 o 78.20313 4.970986  1402.243       142.2797 1245.101       
269.7692 1462.799       167.4650 73.99023 8.684383 82.41602 4.839866 -8.425797 
9.941973 
1 1 1 15  11  31 o 19.72999 6.443550  -60.93766      109.5347 -141.1248      
225.4968 -36.17448      125.3116 21.57338 10.08280 17.88661 8.025861 3.686771 
12.88710 
1 1 1 15  11  32 o 39.50383 7.278215  414.9899       118.6169 308.3344       
236.3131 450.9128       137.1456 34.53848 12.56693 44.46918 7.345881 -9.930698 
14.55643 
1 1 1 15  11  33 o 29.82705 7.470523  189.8169       92.25410 283.5672       
239.9024 173.5475       99.93893 32.85717 12.51922 26.79692 8.155004 6.060242 
14.94105 
1 1 1 15  11  34 f 37.09309 7.121370  369.1006       101.3887 324.8944       
242.5164 378.4634       111.6105 33.59494 12.64763 40.59123 6.549285 -6.996284 
14.24274 
1 1 1 15  11  35 o 65.07748 5.430343  902.2512       120.9814 1259.442       
277.8452 818.6849       134.3904 69.84247 9.475548 60.31249 5.307401 9.529976 
10.86069 
1 1 1 15  11  36 o 47.89429 7.135541  738.5437       120.5999 469.9377       
260.4397 811.8613       136.0673 36.24437 13.19234 59.54421 5.442964 -23.29984 
14.27108 
1 1 1 15  11  37 o 21.40192 6.896731  46.04878       115.5406 138.2247       
244.2236 19.46924       131.1453 24.43055 11.07050 18.37329 8.228217 6.057262 
13.79346 
1 1 1 15  12  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  12  1  o 80.09322 5.071657  1345.115       167.7735 1416.089       
264.8596 1297.551       216.8207 81.79941 7.712348 78.38704 6.588362 3.412369 
10.14331 
1 1 1 15  12  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  12  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  12  4  o 34.12175 6.950169  254.3879       105.6068 212.9980       
157.0945 288.5160       142.6493 32.04303 10.30418 36.20047 9.329694 -4.157444 
13.90034 
1 1 1 15  12  5  o 80.21784 4.603660  1377.507       152.7397 1567.032       
209.5984 1162.892       223.0407 86.22997 5.789629 74.20571 7.159256 12.02426 
9.207320 
1 1 1 15  12  6  o 219.1432 6.293007  10174.99       578.9083 10214.93       
813.1845 10133.95       824.3293 219.5971 8.820305 218.6893 8.978305 0.9078369 
12.58601 
1 1 1 15  12  7  o 203.3137 6.054988  8747.070       516.5756 8360.156       
721.9813 9152.910       739.4276 198.6909 8.655040 207.9364 8.470053 -9.245529 
12.10998 
1 1 1 15  12  8  o 176.0885 5.860571  6395.202       410.6378 7083.171       
719.5591 6062.936       500.0626 182.7300 9.379456 169.4469 7.029294 13.28307 
11.72114 
1 1 1 15  12  9  o 139.4695 4.645447  4106.760       271.7721 4060.213       
391.3558 4150.115       377.6957 138.6886 6.721281 140.2504 6.414444 -1.561768 
9.290895 
1 1 1 15  12  10 o 99.65742 4.687264  2094.182       195.2775 2122.821       
290.7461 2070.646       263.5768 100.2533 6.907747 99.06159 6.337573 1.191673 
9.374529 
1 1 1 15  12  11 o 106.4637 4.739852  2399.096       211.3869 2516.680       
294.4875 2274.110       303.6138 109.1870 6.424168 103.7403 6.971003 5.446785 
9.479705 
1 1 1 15  12  12 o 194.8707 6.594917  8101.632       528.7913 8223.899       
686.1162 7922.762       829.8730 196.9429 8.298095 192.7986 10.25248 4.144333 
13.18983 
1 1 1 15  12  13 o 79.82335 4.426586  1350.790       147.2919 1392.438       
198.6914 1299.983       219.4578 81.22715 5.826381 78.41956 6.665729 2.807594 
8.853172 
1 1 1 15  12  14 o 145.1016 5.302285  4417.886       315.0185 4662.719       
510.7651 4267.578       400.2000 148.1741 8.210505 142.0291 6.711520 6.145035 
10.60457 
1 1 1 15  12  15 o 61.53339 5.576534  819.5363       141.2003 665.7309       
206.1741 955.4011       193.7769 55.90520 8.784215 67.16159 6.872298 -11.25639 
11.15307 
1 1 1 15  12  16 o 92.24579 4.268275  1726.332       157.6861 2044.079       
275.7105 1571.873       192.2286 98.21502 6.686464 86.27657 5.306965 11.93845 
8.536550 
1 1 1 15  12  17 o 125.7360 5.544398  3378.707       291.5177 3181.143       
423.1496 3557.181       402.1855 122.1283 8.252748 129.3436 7.406319 -7.215317 
11.08880 
1 1 1 15  12  18 o 85.66002 4.148520  1551.720       149.0063 1595.794       
217.3121 1512.612       204.7058 86.79388 5.963700 84.52616 5.768463 2.267723 
8.297040 
1 1 1 15  12  19 o 110.6460 4.414875  2592.489       204.8616 2497.789       
281.7884 2698.652       298.3573 108.5176 6.185060 112.7744 6.301547 -4.256805 
8.829749 
1 1 1 15  12  20 o 128.0519 4.930205  3489.182       264.5393 3769.909       
376.8773 3216.538       371.4125 133.1861 6.740035 122.9177 7.197195 10.26843 
9.860410 
1 1 1 15  12  21 o 65.92045 5.270576  932.6798       142.4604 692.6190       
197.7161 1191.876       205.4451 56.91874 8.273853 74.92216 6.531404 -18.00341 
10.54115 
1 1 1 15  12  22 o 89.81274 4.481077  1776.468       158.4686 1509.036       
264.1206 1926.887       198.0830 84.13870 7.477003 95.48679 4.941115 -11.34809 
8.962153 
1 1 1 15  12  23 o 45.23923 6.322239  353.2544       107.1515 707.8654       
220.9729 244.2395       122.5197 57.34781 9.177899 33.13065 8.697643 24.21716 
12.64448 
1 1 1 15  12  24 o 46.46186 7.066705  562.9095       124.9923 279.8852       
237.9783 670.7285       146.8834 36.78500 12.68522 56.13872 6.232056 -19.35372 
14.13341 
1 1 1 15  12  25 o 26.94638 7.478297  104.7113       115.6099 85.25731       
215.9670 112.5251       136.8725 28.33417 11.53118 25.55859 9.525315 2.775581 
14.95659 
1 1 1 15  12  26 o 37.48692 6.917867  354.6623       118.8210 101.8511       
223.2777 454.5460       140.3442 29.06879 11.76431 45.90506 7.282072 -16.83628 
13.83573 
1 1 1 15  12  27 o 37.51781 6.648022  329.7562       100.8823 287.5309       
176.8650 350.1191       122.8216 35.50765 10.85727 39.52797 7.674931 -4.020317 
13.29604 
1 1 1 15  12  28 o 34.11333 7.646909  263.2572       112.7383 233.7867       
233.0630 272.2595       128.8114 33.81770 12.46298 34.40896 8.864251 
-0.5912552     15.29382 
1 1 1 15  12  29 o 76.49680 4.880466  1238.329       137.0763 1367.944       
274.8574 1195.419       158.1472 78.36021 8.354739 74.63337 5.047187 3.726845 
9.760931 
1 1 1 15  12  30 o 87.03734 4.747015  1685.992       149.0486 1626.402       
295.9456 1706.244       172.5267 84.93143 8.299740 89.14326 4.609871 -4.211830 
9.494029 
1 1 1 15  12  31 o 26.82878 7.642491  91.07071       112.9700 225.0585       
241.1314 53.39107       127.8717 32.20118 12.47945 21.45639 8.825752 10.74480 
15.28498 
1 1 1 15  12  32 o 26.66960 7.336012  145.7013       111.5511 50.84753       
234.6689 173.3917       126.7923 26.06698 11.37633 27.27221 9.265383 -1.205229 
14.67202 
1 1 1 15  12  33 o 52.19024 5.833283  494.6068       105.6152 962.9066       
252.3524 395.1595       116.2899 62.64613 9.594765 41.73436 6.636962 20.91177 
11.66657 
1 1 1 15  12  34 o 23.11352 6.954751  78.04356       106.4618 -29.76352      
244.0102 103.3905       118.3170 23.60275 10.81495 22.62430 8.747066 0.9784508 
13.90950 
1 1 1 15  12  35 o 26.41802 6.759168  180.8359       100.7500 40.80436       
202.3244 227.0083       116.1786 23.19654 10.30866 29.63951 8.745111 -6.442966 
13.51834 
1 1 1 15  12  36 o 24.01053 6.877166  130.2865       110.9764 -78.59663      
248.6519 182.2447       124.0130 21.76355 10.27173 26.25751 9.147308 -4.493965 
13.75433 
1 1 1 15  12  37 o 28.80405 7.824234  256.1007       121.9504 326.0979       
247.9448 233.7641       140.0630 29.68933 12.26227 27.91876 9.721693 1.770575 
15.64847 
1 1 1 15  13  0  o 122.9716 5.712299  3185.276       290.8833 3348.299       
454.9337 3072.536       378.3224 125.5198 8.632904 120.4234 7.482941 5.096413 
11.42460 
1 1 1 15  13  1  o 73.88406 6.216030  1152.729       192.8159 0.000000       
0.000000 1152.729       192.8159 ?        ?        73.88406 6.216030 ? ? 
1 1 1 15  13  2  o 60.47956 8.841877  776.5381       224.5081 776.5381       
224.5081 0.000000       0.000000 60.47956 8.841877 ?        ?        ? ? 
1 1 1 15  13  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  13  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  13  5  o 134.1697 5.352922  3819.242       296.2946 3875.925       
386.4728 3738.421       461.4827 135.4774 6.794743 132.8620 8.273245 2.615479 
10.70584 
1 1 1 15  13  6  o 109.0822 4.404534  2512.410       199.4961 2495.115       
305.0188 2525.339       263.7248 108.7131 6.682912 109.4513 5.739195 
-0.7382278     8.809068 
1 1 1 15  13  7  o 48.81198 5.832639  501.1049       114.6315 676.1332       
175.8158 371.6828       151.1848 56.55502 7.404706 41.06893 9.013826 15.48609 
11.66528 
1 1 1 15  13  8  o 237.0868 6.440773  11914.81       638.7455 12062.79       
947.1932 11791.39       865.0326 238.3345 9.466137 235.8392 8.736502 2.495285 
12.88155 
1 1 1 15  13  9  o 162.5417 6.028023  5597.004       405.4010 5615.786       
629.3624 5583.685       530.0032 162.6429 9.216939 162.4405 7.771505 0.2023773 
12.05605 
1 1 1 15  13  10 o 169.7512 5.831556  6122.773       411.4205 5979.463       
623.6999 6233.168       547.4094 167.8681 8.849703 171.6344 7.596772 -3.766312 
11.66311 
1 1 1 15  13  11 o 79.97062 4.739359  1342.092       158.5582 1499.649       
235.0856 1210.601       214.7607 84.25158 6.646132 75.68966 6.758330 8.561920 
9.478718 
1 1 1 15  13  12 o 117.5088 4.668717  2901.312       228.0437 3034.427       
351.2080 2804.281       299.8516 119.7789 6.984018 115.2388 6.197675 4.540062 
9.337435 
1 1 1 15  13  13 f 101.7525 4.647521  2179.365       196.0059 2249.170       
304.4299 2129.940       256.1649 103.0849 7.034179 100.4202 6.076028 2.664711 
9.295042 
1 1 1 15  13  14 o 39.04492 7.295488  316.1095       128.9954 520.9077       
194.3420 154.8238       172.4652 48.53988 9.879505 29.54996 10.73741 18.98992 
14.59098 
1 1 1 15  13  15 o 174.9082 6.142192  6495.252       447.4233 6342.438       
593.2471 6696.839       681.3705 172.6762 8.183221 177.1403 9.161931 -4.464111 
12.28438 
1 1 1 15  13  16 o 50.63087 6.861120  572.7236       140.9479 412.0055       
202.2415 724.5100       196.5415 42.92307 11.13135 58.33868 8.024513 -15.41561 
13.72224 
1 1 1 15  13  17 o 68.15683 4.913009  991.7548       139.1429 825.4882       
195.7764 1161.468       197.7948 62.29006 7.486220 74.02361 6.364522 -11.73354 
9.826018 
1 1 1 15  13  18 o 41.66284 6.032379  276.4694       105.5026 90.29118       
124.4350 752.5026       198.9743 23.94459 9.047561 59.38109 7.981230 -35.43650 
12.06476 
1 1 1 15  13  19 o 138.4821 4.831757  4135.014       264.7004 4259.576       
326.8836 3897.766       451.1313 141.8648 5.488322 135.0993 7.953731 6.765457 
9.663514 
1 1 1 15  13  20 o 115.9063 4.579977  2831.088       214.8928 2773.699       
269.0197 2932.267       357.2039 114.4612 5.598180 117.3514 7.250181 -2.890236 
9.159953 
1 1 1 15  13  21 o 75.57376 4.901276  1309.582       140.6430 960.5037       
238.2959 1496.179       174.2238 66.99856 8.471731 84.14897 4.931509 -17.15041 
9.802551 
1 1 1 15  13  22 o 111.2340 4.277055  2693.833       180.4453 2455.472       
328.8438 2796.525       215.8431 107.3648 7.295391 115.1031 4.466550 -7.738274 
8.554111 
1 1 1 15  13  23 o 141.3131 4.023828  4171.600       221.9350 4399.630       
399.5714 4069.866       266.8895 143.8243 6.617335 138.8018 4.579916 5.022522 
8.047655 
1 1 1 15  13  24 o 82.61288 4.711903  1405.374       147.9963 1574.592       
282.6536 1341.460       173.7114 85.66895 7.858725 79.55682 5.200821 6.112129 
9.423805 
1 1 1 15  13  25 o 87.65350 4.592127  1636.123       153.9900 1656.938       
284.1354 1627.467       183.2332 87.72458 7.714807 87.58241 4.983199 0.1421661 
9.184254 
1 1 1 15  13  26 o 54.41148 6.623980  732.3611       129.7304 493.0488       
229.6716 844.4914       157.2123 45.97001 11.83274 62.85295 5.957744 -16.88294 
13.24796 
1 1 1 15  13  27 o 36.74173 6.435203  336.6097       103.1077 154.8525       
182.1412 422.3210       125.0781 29.22944 10.96933 44.25401 6.732089 -15.02457 
12.87041 
1 1 1 15  13  28 o 32.04386 6.544543  251.2778       117.1727 -154.2191      
229.0117 395.0714       136.3746 22.28057 10.31528 41.80715 8.057240 -19.52658 
13.08909 
1 1 1 15  13  29 o 67.80737 4.614981  1032.392       115.4000 929.6761       
218.0357 1072.363       136.0123 64.77725 8.017263 70.83750 4.573368 -6.060249 
9.229962 
1 1 1 15  13  30 o 87.62144 4.684447  1605.781       150.1147 1857.029       
305.8020 1526.017       172.3036 91.02999 8.001600 84.21288 4.873455 6.817108 
9.368894 
1 1 1 15  13  31 o 38.89356 6.528980  396.0369       101.3185 254.0863       
194.8677 448.6277       118.6113 32.67242 11.45839 45.11471 6.262231 -12.44229 
13.05796 
1 1 1 15  13  32 o 32.57128 7.387464  250.1806       97.98309 263.3876       
233.8272 247.3676       107.9147 32.95318 12.41643 32.18938 8.008162 0.7637978 
14.77493 
1 1 1 15  13  33 o 63.49502 5.424266  789.5982       118.0723 1224.469       
277.9419 693.8393       130.4258 71.02800 9.320635 55.96203 5.551254 15.06597 
10.84853 
1 1 1 15  13  34 o 23.94708 6.763967  3.643938       98.56419 297.7171       
198.4181 -92.69413      113.5671 32.93839 11.56129 14.95577 7.024347 17.98262 
13.52793 
1 1 1 15  13  35 o 27.41091 7.076144  197.8723       105.0736 47.60222       
242.7538 232.5161       116.5580 24.77672 11.14209 30.04509 8.725887 -5.268368 
14.15229 
1 1 1 15  13  36 o 63.33249 6.948272  1060.136       142.5543 1067.516       
304.0184 1058.056       161.3972 58.71537 12.69275 67.94962 5.657572 -9.234249 
13.89654 
1 1 1 15  13  37 o 25.29535 7.598520  149.8081       121.9073 263.0036       
258.0175 117.2769       138.3200 28.11680 12.09525 22.47390 9.200808 5.642902 
15.19704 
1 1 1 15  13  38 o 45.29609 7.686431  619.2593       130.2141 771.8851       
268.4794 572.3140       148.8994 43.82505 13.37215 46.76713 7.583560 -2.942078 
15.37286 
1 1 1 15  14  0  o 102.7354 3.202689  2222.049       135.7995 2235.412       
212.7747 2212.865       176.3986 102.9601 4.922344 102.5107 4.098708 0.4493942 
6.405378 
1 1 1 15  14  1  o 33.79971 5.611609  260.4154       78.61129 191.6282       
121.0025 310.6509       103.4061 29.85058 8.951239 37.74884 6.770227 -7.898264 
11.22322 
1 1 1 15  14  2  o 34.09931 7.915646  228.4592       138.5395 345.7579       
191.3387 99.20073       200.8565 39.61189 11.07722 28.58673 11.31040 11.02516 
15.83129 
1 1 1 15  14  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  14  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  14  5  o 123.8558 6.754499  3241.393       351.2273 0.000000       
0.000000 3241.393       351.2273 ?        ?        123.8558 6.754499 ? ? 
1 1 1 15  14  6  o 28.43332 7.074711  130.6026       116.5019 -30.27088      
178.3204 250.4070       153.8846 22.82200 9.938895 34.04464 10.07097 -11.22264 
14.14942 
1 1 1 15  14  7  o 35.97408 6.900072  287.0398       107.7066 236.6275       
160.2376 328.5889       145.4712 33.37358 10.36080 38.57459 9.115794 -5.201012 
13.80014 
1 1 1 15  14  8  o 85.01137 4.642253  1527.903       164.6418 1512.294       
246.3854 1540.496       221.3058 84.58842 6.937852 85.43431 6.169949 
-0.8458862     9.284507 
1 1 1 15  14  9  o 37.45120 7.369627  283.3951       119.9297 428.6729       
195.9696 196.4064       151.6423 43.95679 10.70388 30.94562 10.13274 13.01117 
14.73925 
1 1 1 15  14  10 o 38.77625 7.123387  332.6671       116.9326 324.9083       
171.6393 339.3871       159.7368 38.38948 10.39442 39.16301 9.743029 
-0.7735367     14.24677 
1 1 1 15  14  11 o 143.8159 4.545240  4322.386       266.7802 4569.247       
436.5981 4175.294       337.0150 146.9588 7.076315 140.6730 5.706366 6.285858 
9.090481 
1 1 1 15  14  12 o 160.0436 5.292720  5474.982       351.0345 5080.792       
529.4320 5784.227       468.9313 154.7197 8.150524 165.3675 6.754294 -10.64780 
10.58544 
1 1 1 15  14  13 o 66.79282 5.180261  939.9827       143.3913 978.9752       
223.2297 912.5924       187.0941 67.92026 7.828413 65.66537 6.786482 2.254883 
10.36052 
1 1 1 15  14  14 o 235.1897 7.848074  11917.11       772.7402 12566.34       
1075.014 11223.02       1111.541 242.0844 10.57714 228.2950 11.59712 13.78937 
15.69615 
1 1 1 15  14  15 o 33.11568 7.941977  220.8634       131.7700 213.5217       
188.9058 227.8209       183.8969 32.84744 11.30437 33.38391 11.15846 
-0.5364761     15.88395 
1 1 1 15  14  16 f 52.14054 6.622165  591.4012       140.6149 717.6186       
204.3048 477.7972       193.8277 58.00396 8.389614 46.27712 10.24825 11.72684 
13.24433 
1 1 1 15  14  17 o 171.2174 4.741381  6188.819       314.8105 6134.786       
377.9770 6311.190       568.8150 170.3623 5.284610 172.0725 7.873734 -1.710159 
9.482762 
1 1 1 15  14  18 o 151.0482 4.987463  4792.770       267.6634 4740.581       
305.1781 4966.758       557.2173 149.8080 4.852206 152.2884 8.715229 -2.480377 
9.974925 
1 1 1 15  14  19 o 91.48094 4.463926  1741.379       166.1235 1643.700       
207.9332 1913.742       276.2151 88.10640 5.621308 94.85548 6.935952 -6.749084 
8.927852 
1 1 1 15  14  20 o 181.9084 4.363410  7052.860       326.3343 6838.887       
512.2255 7199.041       423.3772 179.3748 6.801754 184.4421 5.467497 -5.067276 
8.726819 
1 1 1 15  14  21 o 245.8303 6.282810  13000.12       635.9495 12719.92       
995.5090 13193.30       826.5980 243.0577 9.755667 248.6030 7.919706 -5.545334 
12.56562 
1 1 1 15  14  22 o 90.50328 4.301105  1816.790       154.4134 1449.262       
247.8850 2049.831       197.3882 82.50188 7.156613 98.50468 4.772933 -16.00281 
8.602209 
1 1 1 15  14  23 o 100.2511 4.439353  2123.055       171.0928 2165.566       
313.8934 2105.087       204.0724 100.7232 7.422904 99.77893 4.871542 0.9442596 
8.878706 
1 1 1 15  14  24 o 123.0455 4.136358  3265.244       208.7538 2962.878       
323.1256 3481.850       273.4890 117.8989 6.528037 128.1921 5.081591 -10.29315 
8.272716 
1 1 1 15  14  25 o 131.5926 4.611916  3759.238       244.7379 3482.504       
398.0964 3927.373       310.3031 127.2750 7.450172 135.9102 5.438198 -8.635254 
9.223831 
1 1 1 15  14  26 o 124.1671 5.016922  3198.641       234.3255 3602.142       
455.4217 3053.358       273.2737 128.6441 8.432274 119.6900 5.438272 8.954117 
10.03384 
1 1 1 15  14  27 o 19.71156 5.850852  16.44049       83.30993 -118.8165      
156.6378 69.79456       98.37856 18.41334 8.527219 21.00978 8.013516 -2.596437 
11.70170 
1 1 1 15  14  28 o 53.20007 6.841545  692.3850       126.1828 546.3380       
248.3605 743.2009       146.4994 47.62880 12.32782 58.77135 5.937330 -11.14255 
13.68309 
1 1 1 15  14  29 o 27.13797 7.425038  132.1841       112.8827 29.88353       
236.2810 162.4389       128.4953 26.81477 11.55528 27.46116 9.327397 
-0.6463966     14.85008 
1 1 1 15  14  30 o 55.49591 5.978000  616.1324       122.2277 873.3649       
255.5753 539.8517       139.1757 61.42532 9.910430 49.56649 6.687998 11.85883 
11.95600 
1 1 1 15  14  31 o 31.35443 7.751704  201.0189       109.2859 304.6323       
233.0100 171.7983       123.7402 35.25368 12.51299 27.45519 9.153186 7.798491 
15.50341 
1 1 1 15  14  32 o 51.71617 5.912531  683.2767       95.45602 530.1529       
207.4643 724.3984       107.5121 45.53526 10.96671 57.89708 4.423049 -12.36182 
11.82506 
1 1 1 15  14  33 o 23.09565 6.818548  78.80183       102.0807 -81.72434      
237.0083 115.3629       113.1098 22.77149 10.52391 23.41981 8.672818 
-0.6483269     13.63710 
1 1 1 15  14  34 o 47.69531 7.126600  583.1887       113.2790 586.4427       
257.1599 582.4052       126.1806 44.52210 12.97094 50.86853 5.908329 -6.346428 
14.25320 
1 1 1 15  14  35 f 24.97231 7.387980  100.5035       108.8001 194.4826       
240.0732 76.21241       122.0538 28.68616 11.97003 21.25847 8.662985 7.427692 
14.77596 
1 1 1 15  14  36 o 24.25004 7.256324  106.5771       107.5508 153.5460       
242.2409 95.04540       120.0297 26.76513 11.61890 21.73496 8.695868 5.030170 
14.51265 
1 1 1 15  14  37 o 35.09661 8.274048  353.7578       124.0107 575.1302       
268.0551 293.4760       139.8799 38.48960 13.44462 31.70362 9.647878 6.785984 
16.54810 
1 1 1 15  14  38 o 48.10718 7.561265  762.8925       134.8905 686.8255       
274.3422 787.1454       154.9091 39.90809 13.62897 56.30626 6.553016 -16.39817 
15.12253 
1 1 1 15  15  0  o 99.06654 3.123997  2071.559       129.7496 1991.109       
185.9820 2147.842       181.1026 97.17690 4.558572 100.9562 4.272803 -3.779297 
6.247993 
1 1 1 15  15  1  o 129.5874 3.389596  3534.011       183.8072 3626.188       
272.6310 3457.198       248.8755 131.1136 4.952775 128.0612 4.628983 3.052383 
6.779193 
1 1 1 15  15  2  o 22.14591 5.746413  55.10007       79.90522 -66.41733      
118.1103 157.6580       108.5058 16.98017 7.696339 27.31165 8.535305 -10.33149 
11.49283 
1 1 1 15  15  3  o 124.9569 4.719651  3282.420       246.5460 3527.221       
370.0670 3087.050       330.5991 129.0968 6.827881 120.8170 6.517702 8.279770 
9.439301 
1 1 1 15  15  4  o 139.1606 8.309466  4112.585       485.4768 0.000000       
0.000000 4112.585       485.4768 ?        ?        139.1606 8.309466 ? ? 
1 1 1 15  15  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  15  6  o 187.7042 8.570253  7516.766       599.0947 7456.096       
700.3702 7682.229       1156.614 187.2875 8.907174 188.1209 14.64443 
-0.8334198     17.14051 
1 1 1 15  15  7  o 120.4191 4.557177  3041.872       225.8351 3173.129       
359.9917 2956.694       289.9969 122.4752 7.001087 118.3630 5.835771 4.112137 
9.114354 
1 1 1 15  15  8  o 136.1225 4.871359  3930.575       273.6917 3852.715       
425.7982 3985.391       357.2735 134.8733 7.519674 137.3717 6.194762 -2.498398 
9.742719 
1 1 1 15  15  9  o 108.7525 4.592287  2503.218       208.5433 2462.366       
310.0919 2536.952       281.7855 107.9006 6.845222 109.6044 6.123670 -1.703758 
9.184574 
1 1 1 15  15  10 o 95.00143 4.737246  1877.866       187.0677 2129.456       
290.6746 1699.994       244.4076 100.3240 6.901178 89.67885 6.491511 10.64516 
9.474491 
1 1 1 15  15  11 o 139.3695 4.777739  4070.282       275.4183 4331.484       
433.5327 3893.527       356.6324 143.0054 7.220884 135.7336 6.258275 7.271866 
9.555478 
1 1 1 15  15  12 f 152.7351 5.197093  4930.022       331.4681 5082.820       
498.2921 4808.742       443.9358 154.7863 7.667833 150.6840 7.017367 4.102295 
10.39419 
1 1 1 15  15  13 o 158.0288 5.551589  5269.703       356.9276 5443.711       
585.7103 5166.910       450.1726 159.8733 8.726256 156.1844 6.865347 3.688919 
11.10318 
1 1 1 15  15  14 o 99.81854 4.826524  2104.590       201.7881 1914.153       
277.3633 2318.726       294.1160 95.01957 6.952758 104.6175 6.696305 -9.597954 
9.653049 
1 1 1 15  15  15 o 76.98355 4.371536  1267.519       139.1718 1343.906       
185.1398 1168.275       211.0288 79.74255 5.530071 74.22455 6.771974 5.517998 
8.743073 
1 1 1 15  15  16 o 162.9004 5.000333  5681.458       304.7237 5736.509       
358.5643 5538.314       578.1860 164.7795 5.183044 161.0213 8.552740 3.758179 
10.00067 
1 1 1 15  15  17 o 52.54071 5.852834  604.7827       122.5398 630.7348       
158.7181 566.4849       192.8090 54.47846 6.939411 50.60296 9.426942 3.875504 
11.70567 
1 1 1 15  15  18 o 54.01292 5.861422  617.1633       132.1416 562.3885       
175.7071 688.4780       200.4881 51.29912 8.158316 56.72672 8.418251 -5.427601 
11.72284 
1 1 1 15  15  19 o 170.1892 4.203485  6193.833       293.6792 5860.944       
459.7229 6423.340       381.7198 166.1031 6.592336 174.2752 5.217113 -8.172073 
8.406971 
1 1 1 15  15  20 o 102.1072 3.539165  2166.541       144.1122 2320.283       
249.6363 2089.694       176.4913 104.6799 5.680226 99.53458 4.223480 5.145302 
7.078330 
1 1 1 15  15  21 o 242.1817 8.076877  12780.53       776.4247 12636.70       
1328.200 12855.20       956.9614 239.7603 13.19494 244.6031 9.318660 -4.842865 
16.15375 
1 1 1 15  15  22 o 205.1660 5.849161  9075.656       450.1129 8849.213       
849.4775 9164.051       530.7443 202.4779 9.992986 207.8540 6.082022 -5.376083 
11.69832 
1 1 1 15  15  23 o 127.9941 3.847682  3318.677       188.8393 3846.234       
358.2075 3115.630       222.2281 134.5192 6.342658 121.4690 4.357671 13.05022 
7.695363 
1 1 1 15  15  24 o 110.0226 4.497696  2526.508       190.1815 2711.208       
353.2066 2451.096       225.6913 112.4850 7.479205 107.5602 4.997859 4.924736 
8.995393 
1 1 1 15  15  25 o 52.79141 6.268826  649.5858       120.2236 535.1352       
218.5793 699.2281       143.9546 48.32187 11.01524 57.26094 5.988088 -8.939072 
12.53765 
1 1 1 15  15  26 o 27.37718 6.934025  144.9517       106.8771 -30.55724      
201.1236 214.0157       126.1651 23.80240 10.45862 30.95196 9.107141 -7.149563 
13.86805 
1 1 1 15  15  27 o 28.93414 5.921009  202.6540       85.19414 14.62939       
156.5288 281.7976       101.5535 22.33751 9.508359 35.53077 7.058648 -13.19326 
11.84202 
1 1 1 15  15  28 o 24.68399 7.005590  74.72307       114.7164 -177.9855      
237.1720 151.8999       131.0681 22.27536 10.38354 27.09262 9.407189 -4.817263 
14.01118 
1 1 1 15  15  29 o 65.92241 5.267179  874.7125       130.4603 1147.015       
261.3056 784.3012       150.5687 71.63144 8.688927 60.21337 5.956111 11.41807 
10.53436 
1 1 1 15  15  30 o 94.12506 3.959877  1904.945       138.3655 1954.772       
268.3259 1886.897       161.4925 94.26045 6.780382 93.98966 4.092544 0.2707901 
7.919754 
1 1 1 15  15  31 o 63.80504 5.344091  816.4635       119.4523 1112.445       
267.2250 742.5523       133.5365 69.21281 9.196269 58.39726 5.446640 10.81555 
10.68818 
1 1 1 15  15  32 f 64.58002 5.492147  862.1884       114.6646 1112.849       
280.9242 812.0794       125.6040 68.04948 9.832984 61.11054 4.895627 6.938942 
10.98429 
1 1 1 15  15  33 o 19.92458 6.481388  -28.58430      98.32156 -71.45972      
235.2856 -19.51311      108.2239 22.91544 10.55011 16.93371 7.531851 5.981737 
12.96278 
1 1 1 15  15  34 o 17.53906 5.661586  -29.52011      85.92093 -227.9823      
194.2419 18.75832       95.80328 17.68014 8.550425 17.39798 7.423237 0.2821579 
11.32317 
1 1 1 15  15  35 o 22.17058 6.481161  40.34096       118.0865 -387.2865      
240.9988 175.4465       135.4624 17.78559 8.787290 26.55557 9.529182 -8.769981 
12.96232 
1 1 1 15  15  36 o 32.47628 7.777399  308.4913       120.5832 284.9847       
249.5720 315.6499       137.7256 30.76048 12.44236 34.19208 9.334849 -3.431599 
15.55480 
1 1 1 15  15  37 o 34.98485 8.209217  359.0800       123.7393 522.9818       
267.3339 314.3908       139.5930 36.86330 13.37090 33.10639 9.528069 3.756916 
16.41843 
1 1 1 15  15  38 f 18.51529 6.231125  -33.86993      114.1179 -129.1782      
259.5016 -11.01961      127.0635 19.92727 9.700765 17.10331 7.823225 2.823954 
12.46225 
1 1 1 15  16  0  o 82.72327 3.279002  1447.630       113.5806 1368.877       
163.5624 1520.973       157.8445 80.52599 4.838030 84.92055 4.427288 -4.394562 
6.558004 
1 1 1 15  16  1  o 144.9790 3.722057  4427.564       225.3430 4554.584       
338.5748 4326.552       301.9302 146.8004 5.493493 143.1575 5.023581 3.642838 
7.444114 
1 1 1 15  16  2  o 118.4918 3.862796  2962.821       191.4051 2931.599       
258.8128 3000.511       284.3630 117.8344 5.231602 119.1493 5.684639 -1.314857 
7.725592 
1 1 1 15  16  3  o 132.3636 5.113498  3714.181       283.9756 3529.684       
396.8906 3907.706       406.4854 128.9789 7.329480 135.7483 7.132333 -6.769409 
10.22700 
1 1 1 15  16  4  o 52.55060 6.128411  602.8208       129.2750 449.9295       
180.0875 765.3660       185.6860 45.02926 9.799104 60.07193 7.362557 -15.04267 
12.25682 
1 1 1 15  16  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  16  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  16  7  o 41.76491 8.926634  386.0475       171.4296 293.5303       
271.4356 447.4373       221.1076 38.73260 13.52917 44.79721 11.64907 -6.064617 
17.85327 
1 1 1 15  16  8  o 100.4585 5.293777  2146.271       217.7061 2170.536       
279.4760 2108.822       347.1916 101.2968 6.571582 99.62016 8.301240 1.676620 
10.58755 
1 1 1 15  16  9  o 106.1315 4.609338  2399.927       203.8455 2168.154       
296.8365 2606.781       280.4253 101.1868 6.987384 111.0763 6.013357 -9.889511 
9.218677 
1 1 1 15  16  10 o 57.47752 5.200643  704.9402       124.5293 613.6296       
177.8797 792.7073       174.3939 53.76145 7.880914 61.19360 6.788072 -7.432152 
10.40129 
1 1 1 15  16  11 o 80.53491 4.576828  1356.577       153.8414 1194.171       
205.6792 1562.820       231.7814 75.12150 6.521494 85.94833 6.423359 -10.82684 
9.153657 
1 1 1 15  16  12 o 47.85085 6.320937  499.1483       123.5718 473.8537       
182.9754 520.3591       167.5548 46.23122 9.733167 49.47048 8.067368 -3.239265 
12.64187 
1 1 1 15  16  13 o 118.5244 4.839427  2927.496       228.1811 3134.459       
397.1748 2825.530       278.7805 121.4285 7.790802 115.6203 5.743138 5.808144 
9.678855 
1 1 1 15  16  14 o 123.6903 4.869563  3116.045       241.0052 2847.450       
293.6390 3670.442       421.8668 115.9999 6.029445 131.3808 7.648292 -15.38094 
9.739126 
1 1 1 15  16  15 o 36.73779 6.970513  287.0475       108.5541 231.4149       
138.9803 374.0914       173.8432 32.55622 9.551891 40.91936 10.15449 -8.363148 
13.94103 
1 1 1 15  16  16 o 130.5115 4.879545  3628.830       254.5342 3652.929       
315.7158 3584.079       430.2289 131.3739 5.724113 129.6492 7.904073 1.724777 
9.759090 
1 1 1 15  16  17 o 105.5533 4.410150  2362.333       191.6073 2359.377       
247.7005 2366.737       302.3428 105.5780 5.588233 105.5287 6.824174 
0.4929352E-01  8.820300 
1 1 1 15  16  18 o 153.3881 4.931924  5059.679       301.2103 4825.996       
508.3178 5186.135       373.9308 150.2907 8.056088 156.4854 5.691655 -6.194672 
9.863848 
1 1 1 15  16  19 o 28.03790 7.222954  134.9544       102.4094 161.7329       
190.9610 124.1437       121.3328 30.46056 11.27117 25.61524 9.035763 4.845322 
14.44591 
1 1 1 15  16  20 o 151.0353 4.512688  4924.272       273.5048 4541.615       
449.6673 5148.963       344.5709 146.0352 7.334236 156.0355 5.259885 -10.00032 
9.025375 
1 1 1 15  16  21 o 41.45269 6.877442  348.4268       109.8374 490.7799       
205.1209 291.2003       130.0543 46.74121 10.68158 36.16417 8.666065 10.57704 
13.75488 
1 1 1 15  16  22 o 55.17997 6.106787  736.3058       109.2008 541.8818       
225.7756 795.6780       124.7652 49.00125 11.21223 61.35870 4.843266 -12.35745 
12.21357 
1 1 1 15  16  23 o 116.3549 4.816728  2864.896       221.5267 2943.728       
386.7300 2826.396       270.2596 117.2537 7.856019 115.4560 5.575521 1.797638 
9.633455 
1 1 1 15  16  24 o 94.65265 3.761381  1835.184       140.1423 2090.443       
252.3593 1721.363       168.5150 99.09315 6.065921 90.21214 4.449331 8.881020 
7.522762 
1 1 1 15  16  25 o 107.5018 3.974999  2418.609       164.4514 2568.055       
303.9751 2356.769       195.5379 109.5154 6.611258 105.4883 4.415171 4.027008 
7.949997 
1 1 1 15  16  26 o 23.55378 6.710535  68.81376       98.27083 -38.47101      
193.2337 106.2411       114.1321 23.08611 10.19015 24.02145 8.734181 
-0.9353333     13.42107 
1 1 1 15  16  27 o 46.69711 5.983994  437.8431       103.9489 606.2191       
204.3440 379.0612       120.7380 51.50627 9.802900 41.88795 6.865558 9.618317 
11.96799 
1 1 1 15  16  28 o 27.21682 7.367977  131.8435       105.4669 68.42281       
230.6904 148.6020       118.5855 27.92743 11.69862 26.50621 8.960507 1.421227 
14.73595 
1 1 1 15  16  29 o 21.32628 6.733443  -16.85568      106.3818 -74.82229      
224.6734 -0.1039990     120.7791 23.53497 10.64382 19.11760 8.250214 4.417370 
13.46689 
1 1 1 15  16  30 o 58.50816 4.751670  734.2474       101.1061 791.1251       
204.2117 715.7777       116.3700 59.32134 8.199563 57.69499 4.804231 1.626354 
9.503340 
1 1 1 15  16  31 o 58.20381 6.035688  761.0960       112.6917 820.9998       
255.5778 746.6388       125.5559 57.72371 10.94293 58.68392 5.096113 
-0.9602089     12.07138 
1 1 1 15  16  32 f 28.69554 7.388139  183.7497       102.6506 151.5074       
232.1262 191.5877       114.4495 29.03987 11.90908 28.35121 8.747119 0.6886559 
14.77628 
1 1 1 15  16  33 o 73.52794 5.657697  1247.871       135.0148 1277.784       
309.0601 1240.816       150.0946 71.64964 10.27425 75.40624 4.741096 -3.756607 
11.31539 
1 1 1 15  16  34 o 26.59963 7.402858  151.2397       106.8809 127.4913       
243.2878 156.9194       118.9772 27.51752 11.78796 25.68174 8.958424 1.835781 
14.80572 
1 1 1 15  16  35 o 49.78534 7.141709  568.8397       127.9157 876.3756       
264.1923 474.6688       146.1943 55.85440 11.64822 43.71629 8.266506 12.13811 
14.28342 
1 1 1 15  16  36 o 19.51898 6.506849  -59.16148      111.5654 -24.89361      
243.5649 -68.26033      125.5059 22.83780 10.59805 16.20016 7.552333 6.637640 
13.01370 
1 1 1 15  16  37 o 24.28305 7.479235  96.97906       122.6210 249.8784       
254.0806 50.55476       140.0043 28.34773 12.09188 20.21836 8.805803 8.129374 
14.95847 
1 1 1 15  16  38 o 48.16552 7.740247  696.7531       133.8294 844.9269       
284.8835 654.7940       151.5984 45.61200 13.74626 50.71904 7.119419 -5.107040 
15.48049 
1 1 1 15  17  0  o 49.23563 3.777319  515.1526       77.70218 474.0608       
112.3269 552.8591       107.6004 47.32167 5.653856 51.14959 5.010635 -3.827927 
7.554638 
1 1 1 15  17  1  o 161.7705 4.132990  5548.036       280.3222 5751.063       
391.5151 5334.470       401.5462 164.8551 5.656754 158.6860 6.027234 6.169067 
8.265980 
1 1 1 15  17  2  o 79.48654 3.362742  1323.899       111.6302 1531.197       
165.1203 1149.399       151.4959 85.18849 4.616796 73.78459 4.890534 11.40390 
6.725483 
1 1 1 15  17  3  o 39.06664 4.920480  327.3612       77.19228 464.6461       
115.4193 216.2603       103.8307 46.86354 5.866303 31.26973 7.901328 15.59381 
9.840961 
1 1 1 15  17  4  o 39.85303 7.137542  327.5668       127.8421 566.2918       
195.2905 148.5500       169.1138 50.65217 9.533310 29.05389 10.62516 21.59828 
14.27508 
1 1 1 15  17  5  o 192.1072 12.81199  8015.051       1033.330 8015.051       
1033.330 0.000000       0.000000 192.1072 12.81199 ?        ?        ? ? 
1 1 1 15  17  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  17  7  o 47.91209 7.747831  514.5320       153.3197 420.1281       
217.3856 607.9714       216.2722 43.39685 11.67445 52.42732 10.18935 -9.030468 
15.49566 
1 1 1 15  17  8  f 155.6085 10.05633  5186.016       656.9793 5186.016       
656.9793 0.000000       0.000000 155.6085 10.05633 ?        ?        ? ? 
1 1 1 15  17  9  o 107.8553 6.053684  2465.752       271.8893 2571.447       
415.2067 2386.407       359.7480 109.7846 9.008320 105.9260 8.089408 3.858620 
12.10737 
1 1 1 15  17  10 o 96.85804 4.335612  1946.823       174.5610 2353.825       
267.9342 1646.658       230.0964 105.4966 6.049379 88.21951 6.212499 17.27707 
8.671225 
1 1 1 15  17  11 o 163.7966 5.678815  5654.197       377.6530 5920.579       
624.7551 5500.817       474.0697 166.5465 8.935014 161.0466 7.011511 5.499908 
11.35763 
1 1 1 15  17  12 o 135.3238 5.142243  3812.277       278.4077 4138.625       
480.1501 3646.982       341.7160 139.3900 8.204772 131.2577 6.200997 8.132263 
10.28449 
1 1 1 15  17  13 f 43.90670 6.422394  418.2364       110.3602 397.3527       
136.8221 457.1224       186.7023 42.53525 7.956570 45.27815 10.08373 -2.742901 
12.84479 
1 1 1 15  17  14 o 59.45039 4.921216  698.6470       118.4530 548.7590       
146.2936 983.9782       201.8444 50.84272 6.853584 68.05805 7.064124 -17.21533 
9.842432 
1 1 1 15  17  15 o 158.0832 5.383160  5326.663       351.7286 5346.217       
459.4636 5298.984       546.6617 158.6377 6.898677 157.5287 8.265706 1.108948 
10.76632 
1 1 1 15  17  16 o 120.8524 5.166323  3108.825       262.1093 3147.879       
373.4921 3070.926       367.9275 121.5979 7.316043 120.1069 7.296512 1.490997 
10.33265 
1 1 1 15  17  17 o 63.59907 5.348061  859.7782       142.3933 773.4833       
196.1127 955.9986       207.0840 60.20830 7.758369 66.98984 7.363064 -6.781536 
10.69612 
1 1 1 15  17  18 o 227.1820 6.617550  11148.78       617.6858 10817.27       
970.6312 11374.40       800.7547 223.7450 10.33289 230.6190 8.270378 -6.874039 
13.23510 
1 1 1 15  17  19 o 152.1275 4.909653  4793.642       285.5142 5232.410       
537.3680 4621.057       337.0205 156.4725 8.180028 147.7825 5.431933 8.690033 
9.819305 
1 1 1 15  17  20 o 45.07671 5.820770  386.7138       103.1974 725.1953       
180.6880 222.8511       125.7193 58.34896 7.375938 31.80447 9.006719 26.54449 
11.64154 
1 1 1 15  17  21 o 52.12883 6.112557  552.7349       117.5943 684.2097       
229.3917 505.8674       136.9595 55.47009 10.23441 48.78756 6.686580 6.682526 
12.22511 
1 1 1 15  17  22 o 67.45371 4.925182  947.6589       120.2269 1011.620       
245.3941 927.4567       137.9129 68.68088 8.510387 66.22655 4.960140 2.454330 
9.850365 
1 1 1 15  17  23 o 119.0828 4.170487  3135.371       197.9642 2547.580       
316.4848 3513.170       253.7298 109.2805 6.898126 128.8850 4.689106 -19.60448 
8.340975 
1 1 1 15  17  24 f 54.91614 5.365683  616.5691       114.7208 732.1851       
212.4595 568.9864       136.2987 58.17899 8.698234 51.65329 6.285138 6.525703 
10.73137 
1 1 1 15  17  25 o 37.05450 6.357847  354.7425       101.9547 117.8671       
190.5501 449.7571       120.6825 28.24875 11.06350 45.86025 6.268001 -17.61150 
12.71569 
1 1 1 15  17  26 o 91.76637 3.891168  1774.884       133.5316 1847.159       
257.5435 1748.311       156.1612 92.69130 6.618090 90.84145 4.094587 1.849854 
7.782337 
1 1 1 15  17  27 o 43.62415 6.281679  403.2539       101.5679 506.2390       
195.9472 365.4182       118.7689 46.76005 10.26090 40.48825 7.249271 6.271801 
12.56336 
1 1 1 15  17  28 o 79.44720 4.746783  1358.140       141.1084 1394.019       
270.2805 1344.696       165.4463 79.58133 8.089554 79.31309 4.968591 0.2682419 
9.493566 
1 1 1 15  17  29 o 94.47214 4.409277  2023.244       155.5081 1739.104       
284.4102 2144.417       185.7301 88.74069 7.633846 100.2036 4.414893 -11.46289 
8.818554 
1 1 1 15  17  30 o 90.36743 4.659277  1624.163       135.2742 2077.833       
336.1072 1536.471       147.7710 95.96365 8.342422 84.77121 4.152042 11.19244 
9.318555 
1 1 1 15  17  31 o 30.24706 6.978185  159.4551       86.23064 353.3727       
195.2901 112.4909       96.10698 37.44698 11.40053 23.04713 8.050351 14.39985 
13.95637 
1 1 1 15  17  32 f 38.02454 6.817222  349.8462       100.2263 371.0341       
194.4667 342.1823       116.9563 37.82302 11.34889 38.22607 7.556505 
-0.4030495     13.63444 
1 1 1 15  17  33 o 32.44757 7.656504  271.9326       115.4152 219.5313       
242.2621 287.3176       131.2692 30.91154 12.35960 33.98361 9.040380 -3.072065 
15.31301 
1 1 1 15  17  34 o 36.05071 7.781481  346.9531       119.1179 353.9559       
244.5722 344.7754       136.3879 35.08492 12.78280 37.01649 8.877270 -1.931572 
15.56296 
1 1 1 15  17  35 o 22.48131 6.904199  58.75167       116.1642 -85.25083      
240.9771 102.3445       132.5862 22.07948 10.34517 22.88314 9.146002 
-0.8036613     13.80840 
1 1 1 15  17  36 o 27.36411 7.623751  189.2145       119.2757 186.3702       
244.4564 190.1032       136.6450 27.81580 11.86269 26.91242 9.579300 0.9033794 
15.24750 
1 1 1 15  17  37 o 24.19657 7.465347  86.08828       121.4463 265.7641       
253.9318 32.80135       138.2874 28.82759 12.18370 19.56555 8.630355 9.262043 
14.93069 
1 1 1 15  17  38 o 22.35869 7.140078  78.72330       121.5385 191.6919       
256.2033 45.91862       138.0619 25.35096 11.42087 19.36642 8.572435 5.984539 
14.28016 
1 1 1 15  18  0  o 100.2810 2.947881  2126.003       121.2354 2097.785       
192.6638 2144.501       155.9909 99.67639 4.603931 100.8856 3.682909 -1.209206 
5.895762 
1 1 1 15  18  1  o 114.0762 3.351261  2748.323       160.4550 2839.670       
228.0188 2658.720       225.8322 115.9619 4.683563 112.1905 4.794585 3.771461 
6.702522 
1 1 1 15  18  2  o 29.51601 5.682088  193.4120       77.10178 276.4771       
104.7922 95.37293       113.8464 35.40628 7.299120 23.62575 8.710185 11.78053 
11.36418 
1 1 1 15  18  3  o 151.5240 3.330031  4842.848       210.8562 4889.087       
314.3514 4805.028       284.2996 152.1416 4.921397 150.9064 4.487346 1.235199 
6.660062 
1 1 1 15  18  4  o 194.0313 8.119649  8156.451       658.8535 8118.445       
892.6920 8201.923       976.4505 193.8012 10.97150 194.2613 11.97251 
-0.4600372     16.23930 
1 1 1 15  18  5  o 85.95210 5.923303  1568.955       213.1556 1425.931       
290.6983 1735.280       313.4847 81.72012 8.472950 90.18410 8.279564 -8.463982 
11.84661 
1 1 1 15  18  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  18  7  o 93.62419 6.129818  1865.082       239.8717 1805.323       
322.2547 1939.331       359.2050 92.00688 8.342573 95.24149 8.983328 -3.234612 
12.25964 
1 1 1 15  18  8  o 103.4302 4.912061  2260.644       212.8461 2095.677       
290.5325 2451.757       312.7091 99.37170 6.963909 107.4886 6.929454 -8.116936 
9.824121 
1 1 1 15  18  9  o 31.21048 10.88442  189.2470       175.6263 0.000000       
0.000000 189.2470       175.6263 ?        ?        31.21048 10.88442 ? ? 
1 1 1 15  18  10 o 26.82930 10.63198  87.89458       177.7446 87.89458       
177.7446 0.000000       0.000000 26.82930 10.63198 ?        ?        ? ? 
1 1 1 15  18  11 o 90.38931 4.679996  1751.789       166.1570 1788.805       
203.2553 1677.218       288.4881 92.01372 5.261509 88.76492 7.741187 3.248802 
9.359992 
1 1 1 15  18  12 o 90.45294 3.858881  1674.289       140.9147 1541.406       
173.7842 1929.378       240.7814 85.44963 4.844189 95.45625 6.008134 -10.00661 
7.717762 
1 1 1 15  18  13 o 25.17533 6.632113  98.52404       98.70548 163.3260       
126.5549 -2.115747      157.7138 28.14934 9.256704 22.20132 9.500166 5.948023 
13.26423 
1 1 1 15  18  14 o 87.18520 4.080998  1629.234       144.8770 1698.478       
185.9885 1522.386       231.0351 89.66936 4.940412 84.70105 6.496962 4.968307 
8.161996 
1 1 1 15  18  15 o 100.9091 4.314364  2159.686       167.6736 2156.332       
305.0940 2161.138       200.7007 100.6542 7.219763 101.1640 4.725460 
-0.5098038     8.628728 
1 1 1 15  18  16 o 191.5590 4.948410  7866.617       386.8370 7535.347       
617.5563 8080.535       496.2616 187.8959 7.828533 195.2221 6.054842 -7.326202 
9.896819 
1 1 1 15  18  17 o 207.6489 5.825139  9148.109       461.0536 9394.133       
858.9133 9048.525       546.4547 208.8057 9.797788 206.4920 6.303358 2.313705 
11.65028 
1 1 1 15  18  18 o 38.94839 6.694687  356.0728       103.0866 252.2372       
199.2186 394.0426       120.4690 34.82906 11.61400 43.06772 6.662612 -8.238659 
13.38937 
1 1 1 15  18  19 o 114.9696 4.329924  2844.255       198.8195 2662.235       
331.7251 2946.295       248.3732 111.8663 7.063176 118.0728 5.010442 -6.206451 
8.659848 
1 1 1 15  18  20 o 114.6844 4.003403  2797.360       181.3434 2748.561       
313.7063 2821.851       222.2375 113.7574 6.568475 115.6114 4.578655 -1.853943 
8.006805 
1 1 1 15  18  21 o 94.84612 4.328103  1944.783       158.7247 1813.294       
281.5908 2006.015       192.1608 92.24438 7.271092 97.44784 4.696926 -5.203453 
8.656205 
1 1 1 15  18  22 o 43.72126 6.865242  490.7688       118.3535 236.8284       
220.6968 593.2799       140.2218 34.60989 12.18861 52.83262 6.321709 -18.22273 
13.73048 
1 1 1 15  18  23 o 144.3801 3.208988  4475.801       180.5560 4224.147       
317.0236 4596.620       219.6632 141.1205 5.350845 147.6396 3.543851 -6.519073 
6.417977 
1 1 1 15  18  24 o 54.87124 4.993822  583.3551       105.1998 806.0214       
204.7759 503.5186       122.6174 61.13987 7.977659 48.60261 6.009159 12.53726 
9.987643 
1 1 1 15  18  25 o 111.5407 3.943830  2651.718       172.0552 2653.650       
304.4454 2650.811       208.5536 111.2581 6.517766 111.8232 4.442288 
-0.5651169     7.887661 
1 1 1 15  18  26 o 89.29841 4.042843  1748.894       137.9480 1594.858       
247.9286 1817.964       166.0197 86.01590 6.865449 92.58092 4.271291 -6.565018 
8.085686 
1 1 1 15  18  27 o 45.59538 5.792810  431.2828       96.26505 536.2880       
191.7743 395.9116       111.3039 48.29674 9.799289 42.89402 6.180657 5.402718 
11.58562 
1 1 1 15  18  28 o 53.02600 6.536668  622.8509       112.0799 665.0394       
255.1083 612.7598       124.7662 52.65584 11.82949 53.39616 5.565547 
-0.7403145     13.07334 
1 1 1 15  18  29 o 73.25426 4.804406  1011.716       119.9723 1478.015       
283.5310 910.0192       132.4101 81.36679 8.299929 65.14172 4.841534 16.22507 
9.608811 
1 1 1 15  18  30 o 42.44830 7.084787  379.0002       103.0089 538.8156       
238.7260 342.4371       114.1859 46.16781 12.15034 38.72880 7.290137 7.439007 
14.16957 
1 1 1 15  18  31 o 24.68071 7.204590  72.48997       96.23613 137.9406       
230.6102 58.68832       105.8978 28.95696 11.87178 20.40447 8.166110 8.552488 
14.40918 
1 1 1 15  18  32 o 33.84496 7.608594  208.7426       99.20168 476.9446       
238.2733 152.5058       109.1075 41.94672 12.55745 25.74321 8.594964 16.20350 
15.21719 
1 1 1 15  18  33 o 25.66963 7.512449  99.72105       116.5700 161.9413       
236.3718 79.72524       133.9984 28.87720 11.95250 22.46206 9.104140 6.415144 
15.02490 
1 1 1 15  18  34 o 34.01307 7.565022  324.5283       119.5490 223.6034       
244.2122 356.3362       137.0995 30.35690 12.29611 37.66923 8.816113 -7.312325 
15.13004 
1 1 1 15  18  35 o 29.64053 6.819680  248.3783       119.8915 -95.80545      
244.7674 357.0212       137.5179 22.01725 10.33575 37.26380 8.899685 -15.24655 
13.63936 
1 1 1 15  18  36 o 39.56817 7.513355  493.8254       132.5620 315.8343       
274.5193 547.9504       151.3814 31.67879 12.96439 47.45755 7.597810 -15.77876 
15.02671 
1 1 1 15  18  37 o 16.75385 5.834028  -180.7437      118.6008 -236.3431      
248.8690 -164.4062      134.9051 19.04353 9.314837 14.46418 7.026902 4.579350 
11.66806 
1 1 1 15  18  38 o 24.30868 7.437340  149.7257       122.7394 231.3611       
260.9393 126.5318       139.0868 26.25672 11.68644 22.36065 9.202352 3.896070 
14.87468 
1 1 1 15  19  0  o 83.76697 2.981507  1479.829       104.8461 1505.785       
149.1864 1454.499       147.3797 84.49368 4.205581 83.04027 4.227367 1.453407 
5.963015 
1 1 1 15  19  1  o 189.9697 4.523982  7664.328       360.4670 7770.893       
501.0552 7550.006       518.9714 191.3916 6.235678 188.5478 6.556063 2.843857 
9.047964 
1 1 1 15  19  2  o 208.0235 4.718032  9172.396       411.1760 9532.059       
605.5558 8864.721       560.0840 211.7445 6.811819 204.3025 6.529811 7.442062 
9.436065 
1 1 1 15  19  3  o 158.3700 4.066826  5310.971       270.1272 5276.732       
373.1820 5348.657       391.5119 157.8635 5.630669 158.8765 5.869570 -1.013031 
8.133652 
1 1 1 15  19  4  o 54.85014 4.284123  639.9354       98.29544 602.9315       
142.4255 673.5916       135.8304 53.30314 6.364380 56.39715 5.736681 -3.094009 
8.568246 
1 1 1 15  19  5  o 118.0349 5.969103  2917.516       289.8397 2689.283       
368.8815 3285.758       468.5603 112.2816 7.825270 123.7881 9.015871 -11.50650 
11.93821 
1 1 1 15  19  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  19  7  f 55.33216 6.466857  668.6263       138.9192 673.3185       
172.0764 659.8448       235.4060 56.25531 7.285826 54.40901 10.68633 1.846298 
12.93371 
1 1 1 15  19  8  o 132.4935 6.128210  3682.056       332.3067 3447.315       
419.6520 4076.725       544.1414 127.1605 7.860645 137.8266 9.403726 -10.66608 
12.25642 
1 1 1 15  19  9  o 139.1096 6.013093  4145.317       348.0152 4065.063       
525.7151 4207.921       464.3190 137.7303 9.091637 140.4889 7.872187 -2.758652 
12.02619 
1 1 1 15  19  10 o 96.68208 5.169390  1986.437       206.7504 2002.523       
321.4971 1975.092       269.9817 96.90666 7.902137 96.45751 6.666830 0.4491501 
10.33878 
1 1 1 15  19  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  19  12 o 133.7583 5.871083  3839.868       326.2986 3950.640       
435.3663 3697.895       492.8787 136.1568 7.616170 131.3599 8.937136 4.796890 
11.74217 
1 1 1 15  19  13 o 171.2410 7.383863  6267.375       509.8005 6097.597       
634.2788 6577.211       856.8514 168.6384 8.958695 173.8436 11.74000 -5.205139 
14.76773 
1 1 1 15  19  14 o 55.81566 5.716767  649.4119       132.1550 568.8510       
170.6801 770.0103       208.8293 51.62344 7.875119 60.00787 8.289042 -8.384426 
11.43353 
1 1 1 15  19  15 o 23.28133 6.092747  73.17551       91.26717 -159.8012      
170.1947 167.2138       108.1290 18.70030 8.747620 27.86237 8.483242 -9.162071 
12.18549 
1 1 1 15  19  16 o 103.0298 3.663686  2301.026       149.3307 2067.440       
251.1317 2428.797       185.7350 98.74480 6.057707 107.3148 4.122447 -8.570045 
7.327372 
1 1 1 15  19  17 o 170.6464 5.469611  6247.049       360.3381 6119.670       
649.1395 6303.781       433.2117 168.8356 9.157886 172.4573 5.983287 -3.621704 
10.93922 
1 1 1 15  19  18 o 26.28036 6.981859  77.97206       98.03589 206.1976       
184.6263 27.62111       115.6938 32.24525 11.16799 20.31547 8.382205 11.92977 
13.96372 
1 1 1 15  19  19 o 113.7782 3.830911  2719.465       169.7770 2792.247       
304.9369 2686.768       204.3850 114.7085 6.331922 112.8479 4.313966 1.860596 
7.661823 
1 1 1 15  19  20 o 42.44479 6.621313  352.8763       107.8993 557.4943       
201.6002 270.7320       127.7344 50.02661 9.951932 34.86296 8.736485 15.16365 
13.24263 
1 1 1 15  19  21 o 173.2723 5.691755  6220.167       357.0041 6838.731       
732.8385 6027.693       408.7910 177.9352 9.809967 168.6095 5.774846 9.325714 
11.38351 
1 1 1 15  19  22 o 47.34093 6.102618  513.1189       103.8558 444.2581       
198.3678 539.1215       121.8973 44.28641 10.75986 50.39545 5.761346 -6.109035 
12.20524 
1 1 1 15  19  23 o 78.34549 4.055524  1340.092       122.2233 1214.386       
216.9647 1398.529       147.9289 75.36728 6.856892 81.32369 4.332683 -5.956413 
8.111049 
1 1 1 15  19  24 o 62.60357 4.170037  878.7692       102.9116 685.6051       
165.8466 999.7182       131.2334 56.52143 6.988992 68.68571 4.550917 -12.16428 
8.340075 
1 1 1 15  19  25 o 43.21638 5.503386  428.1132       88.63510 370.2601       
158.7715 454.3060       106.8319 40.28037 9.526294 46.15238 5.513506 -5.872005 
11.00677 
1 1 1 15  19  26 o 65.31965 3.785835  934.5692       96.86658 841.5129       
165.9438 982.6661       119.3016 62.57347 6.316724 68.06583 4.174825 -5.492359 
7.571669 
1 1 1 15  19  27 o 138.5732 3.100649  4098.053       178.3285 3986.362       
271.4441 4182.862       236.5339 136.7598 4.727625 140.3865 4.013184 -3.626709 
6.201297 
1 1 1 15  19  28 o 42.29800 5.983411  318.7834       88.79555 622.6382       
197.3188 241.6245       99.43251 51.99213 9.382844 32.60388 7.427454 19.38825 
11.96682 
1 1 1 15  19  29 o 81.37733 3.959249  1338.585       111.1234 1602.906       
248.6585 1272.624       124.2174 85.43438 6.932529 77.32030 3.826572 8.114082 
7.918498 
1 1 1 15  19  30 o 24.72149 6.781106  95.17906       84.31223 150.4664       
188.6420 81.37811       94.24969 28.33008 11.02582 21.11291 7.897150 7.217163 
13.56221 
1 1 1 15  19  31 o 27.68060 7.564500  125.9812       105.5378 237.7574       
231.8132 96.75548       118.5349 32.38214 12.31564 22.97907 8.787019 9.403072 
15.12900 
1 1 1 15  19  32 o 34.17022 7.633363  183.2827       115.8559 577.3742       
244.0749 68.66228       131.6302 46.27293 12.33531 22.06751 8.995165 24.20542 
15.26673 
1 1 1 15  19  33 o 25.66743 7.442373  97.22065       106.6918 196.6304       
237.8342 72.17538       119.3775 29.92715 12.12936 21.40771 8.627526 8.519438 
14.88475 
1 1 1 15  19  34 o 55.31686 6.594032  739.9528       124.6881 810.7347       
259.7794 718.7650       142.1301 54.21806 11.74375 56.41566 6.000777 -2.197605 
13.18806 
1 1 1 15  19  35 o 20.84037 6.793471  -26.30253      117.7539 -7.601704      
245.8197 -31.87164      134.1464 23.72159 10.86337 17.95916 8.160407 5.762426 
13.58694 
1 1 1 15  19  36 o 58.23980 6.903605  866.7838       131.3292 954.7911       
286.5703 843.3866       147.7588 55.88182 12.52628 60.59778 5.807879 -4.715958 
13.80721 
1 1 1 15  19  37 o 46.77488 7.406407  732.8806       129.2054 502.0718       
282.2104 794.0912       145.3316 35.47666 13.56053 58.07310 5.960823 -22.59644 
14.81281 
1 1 1 15  19  38 o 18.81697 6.178354  1.251209       104.0121 4.279839       
207.2741 0.2318821      120.2482 20.54486 9.620468 17.08909 7.754665 3.455776 
12.35671 
1 1 1 15  20  0  o 138.3028 3.487939  3987.592       198.3228 4303.655       
319.1967 3788.865       253.1055 142.6294 5.330530 133.9763 4.499815 8.653137 
6.975879 
1 1 1 15  20  1  o 73.26797 3.112759  1132.112       95.42021 1140.697       
141.1542 1124.887       129.4884 73.50843 4.573806 73.02750 4.223431 0.4809265 
6.225518 
1 1 1 15  20  2  o 51.68790 4.007520  552.6461       85.85821 652.2571       
135.1806 485.2928       111.1578 55.49117 5.802451 47.88462 5.529234 7.606552 
8.015039 
1 1 1 15  20  3  o 108.7177 3.248505  2531.228       145.2887 2287.604       
222.6884 2711.789       191.7121 104.0256 5.098924 113.4099 4.026427 -9.384270 
6.497010 
1 1 1 15  20  4  o 57.76421 3.809360  701.8915       92.05067 754.3622       
137.4942 659.2698       123.9200 59.70087 5.485610 55.82756 5.287056 3.873306 
7.618719 
1 1 1 15  20  5  o 31.70554 8.102185  164.0559       140.4521 79.12423       
183.9780 282.7034       217.4503 26.75476 10.74023 36.65631 12.13380 -9.901550 
16.20437 
1 1 1 15  20  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  20  7  o 76.08517 5.647495  1211.753       175.6153 1135.051       
221.2461 1342.380       288.7282 73.01523 7.217443 79.15511 8.688229 -6.139885 
11.29499 
1 1 1 15  20  8  o 38.95497 7.973483  334.6515       141.4002 430.2804       
199.1483 237.4277       200.8021 43.72795 10.87881 34.18198 11.66007 9.545971 
15.94697 
1 1 1 15  20  9  o 109.8894 5.240747  2571.368       241.6988 2479.052       
337.8880 2668.103       345.8796 107.8597 7.461647 111.9191 7.361084 -4.059433 
10.48149 
1 1 1 15  20  10 o 72.73869 5.346943  1125.127       162.9080 1167.370       
240.2704 1089.186       221.6302 73.97313 7.736550 71.50424 7.382751 2.468887 
10.69389 
1 1 1 15  20  11 o 27.77155 7.846132  76.86998       140.1970 154.9725       
206.2208 9.751597       191.1705 30.80416 11.64502 24.73893 10.51859 6.065228 
15.69226 
1 1 1 15  20  12 o 109.7446 4.986505  2389.502       187.1976 2871.099       
425.1415 2273.673       208.4973 115.7413 8.749160 103.7479 4.786765 11.99337 
9.973009 
1 1 1 15  20  13 f 116.3208 8.691528  2899.351       424.4558 2899.351       
424.4558 0.000000       0.000000 116.3208 8.691528 ?        ?        ? ? 
1 1 1 15  20  14 o 100.0607 5.829529  2050.813       181.7377 2279.647       
457.0625 2007.839       198.0685 102.6345 10.60726 97.48689 4.839386 5.147621 
11.65906 
1 1 1 15  20  15 o 171.5642 4.769324  6154.395       325.0932 6566.985       
566.7956 5952.119       396.8611 175.4639 7.694134 167.6644 5.637918 7.799500 
9.538649 
1 1 1 15  20  16 o 164.9866 4.403269  5689.134       284.6167 6010.006       
508.9926 5543.160       343.3052 168.0290 7.215200 161.9443 5.049356 6.084702 
8.806538 
1 1 1 15  20  17 o 120.8231 4.045332  3066.472       190.6319 3159.208       
341.8097 3024.604       229.6678 121.9471 6.676270 119.6991 4.570148 2.248032 
8.090664 
1 1 1 15  20  18 o 265.5646 8.274564  15561.14       872.4901 14674.42       
1471.668 16041.73       1083.425 257.9897 13.58716 273.1396 9.447902 -15.14987 
16.54913 
1 1 1 15  20  19 o 27.14639 7.040220  133.1792       102.6084 56.06102       
189.4885 165.1737       122.0512 26.20399 10.75531 28.08879 9.087474 -1.884798 
14.08044 
1 1 1 15  20  20 o 116.4218 3.981413  2853.995       179.2857 2918.437       
325.7331 2825.987       214.7401 117.1508 6.622738 115.6927 4.421078 1.458122 
7.962825 
1 1 1 15  20  21 o 98.46656 3.816152  1989.739       148.4558 2245.430       
264.9326 1872.704       179.2395 102.7961 6.138749 94.13703 4.535177 8.659058 
7.632304 
1 1 1 15  20  22 o 58.82331 4.885105  790.6598       106.4018 622.7426       
192.5293 864.4979       127.6702 53.74202 8.533042 63.90459 4.758591 -10.16257 
9.770209 
1 1 1 15  20  23 o 63.71793 4.462960  841.3624       109.9926 932.6880       
203.4141 803.6256       130.7577 65.89897 7.352305 61.53688 5.061192 4.362095 
8.925920 
1 1 1 15  20  24 o 159.2541 4.815946  5512.136       300.5389 5251.102       
522.5323 5641.175       367.3882 155.7316 7.992036 162.7766 5.375937 -7.045013 
9.631892 
1 1 1 15  20  25 o 158.8618 4.576326  5434.969       293.2266 5369.961       
485.3563 5472.335       367.9717 157.5959 7.335618 160.1277 5.473551 -2.531723 
9.152653 
1 1 1 15  20  26 o 87.37093 3.706158  1560.895       128.6144 1844.283       
228.8200 1430.016       155.5032 92.72997 5.877532 82.01190 4.516308 10.71806 
7.412315 
1 1 1 15  20  27 o 27.20944 6.870940  131.7153       93.56419 209.8803       
168.6605 96.96645       112.4545 31.16787 10.68580 23.25101 8.640189 7.916864 
13.74188 
1 1 1 15  20  28 o 23.88737 7.094400  56.15865       98.85098 33.73393       
231.8949 61.13830       109.2767 26.72336 11.48021 21.05138 8.338271 5.671978 
14.18880 
1 1 1 15  20  29 o 45.92842 6.578599  432.8898       102.7698 600.3126       
234.0334 392.8931       114.3887 49.46963 11.48016 42.38722 6.427899 7.082405 
13.15720 
1 1 1 15  20  30 f 84.33442 4.519526  1541.029       136.5226 1614.120       
279.8409 1518.199       156.3970 84.60645 7.878233 84.06239 4.431468 0.5440674 
9.039053 
1 1 1 15  20  31 o 25.96180 6.955675  127.4681       92.73466 159.5163       
190.0630 117.4549       106.2385 28.30289 11.05657 23.62070 8.442621 4.682190 
13.91135 
1 1 1 15  20  32 o 22.02806 6.617218  31.94345       112.9240 -258.6856      
234.3190 119.8612       128.8773 19.73235 9.511078 24.32377 9.202700 -4.591421 
13.23444 
1 1 1 15  20  33 o 36.40920 7.719991  351.6425       118.4615 332.9902       
245.0663 357.3298       135.3216 34.75320 12.78259 38.06520 8.660167 -3.312000 
15.43998 
1 1 1 15  20  34 o 24.34613 6.993502  111.0004       114.4826 -90.00575      
240.0193 170.1973       130.2539 22.22847 10.39420 26.46379 9.359323 -4.235317 
13.98700 
1 1 1 15  20  35 o 22.77317 6.975932  68.73143       116.5877 -60.63299      
244.3237 106.8737       132.6665 22.54632 10.52111 23.00002 9.163014 
-0.4537048     13.95186 
1 1 1 15  20  36 o 18.34436 5.929612  -25.44452      100.3928 -196.8896      
200.4861 31.93182       115.9814 17.91801 8.669149 18.77070 8.092407 
-0.8526840     11.85922 
1 1 1 15  20  37 o 29.36420 8.055876  230.7919       121.9013 432.8359       
261.6277 174.7663       137.7697 33.50883 12.99638 25.21958 9.522742 8.289248 
16.11175 
1 1 1 15  20  38 o 42.12712 8.245292  548.0038       131.6108 787.9567       
287.8600 484.5892       147.9834 42.83142 13.96071 41.42282 8.777125 1.408607 
16.49058 
1 1 1 15  21  0  o 149.0970 3.654358  4682.851       227.4577 4518.635       
303.7098 4892.616       343.2557 146.1825 4.948625 152.0115 5.378517 -5.828979 
7.308716 
1 1 1 15  21  1  o 31.02880 5.470767  180.3661       73.12180 354.1143       
124.7685 89.46965       90.24400 40.09893 7.685412 21.95868 7.787913 18.14025 
10.94153 
1 1 1 15  21  2  o 159.8862 3.923656  5412.383       263.2523 5435.271       
367.1008 5388.153       377.7161 160.2564 5.456208 159.5159 5.640044 0.7405090 
7.847312 
1 1 1 15  21  3  o 201.6505 4.257218  8634.729       355.8709 8522.109       
546.4405 8717.675       468.9542 200.3455 6.496573 202.9555 5.503649 -2.609940 
8.514436 
1 1 1 15  21  4  o 50.92846 4.258808  549.7372       91.00364 551.1681       
131.0952 548.4063       126.4288 50.98403 6.124542 50.87289 5.919440 0.1111374 
8.517616 
1 1 1 15  21  5  o 195.0858 7.950729  8178.187       628.5057 7948.374       
787.1966 8582.267       1043.832 192.1369 9.758733 198.0347 12.55482 -5.897720 
15.90146 
1 1 1 15  21  6  f 59.43397 6.481472  787.4279       152.7455 983.3900       
213.1845 580.7021       218.9610 67.93301 7.474736 50.93493 10.59086 16.99807 
12.96294 
1 1 1 15  21  7  o 67.98933 6.032114  951.4461       166.7753 672.8096       
215.6667 1365.926       263.0363 55.97682 9.176899 80.00183 7.831354 -24.02501 
12.06423 
1 1 1 15  21  8  o 108.1360 4.926204  2480.834       223.1918 2270.005       
307.9508 2714.122       323.9373 103.2809 7.102027 112.9910 6.828701 -9.710144 
9.852408 
1 1 1 15  21  9  o 27.18810 7.710691  62.41093       142.6114 -109.7214      
229.0352 171.4061       182.2530 23.82916 10.76335 30.54704 11.04397 -6.717882 
15.42138 
1 1 1 15  21  10 o 102.2215 5.664011  2238.801       240.4534 2182.538       
365.2626 2281.831       319.4319 100.9455 8.618649 103.4974 7.351393 -2.551918 
11.32802 
1 1 1 15  21  11 o 96.59634 4.860527  1945.646       164.9149 2054.949       
350.5842 1914.587       186.8822 97.97418 8.523183 95.21851 4.674850 2.755676 
9.721053 
1 1 1 15  21  12 o 107.2870 5.116124  2308.674       189.5580 2707.401       
422.6121 2208.251       212.0898 112.3476 8.959817 102.2264 4.941717 10.12125 
10.23225 
1 1 1 15  21  13 o 50.50965 6.616061  453.1587       111.3594 759.7482       
267.3867 388.8216       122.4876 58.24990 11.33826 42.76939 6.821502 15.48051 
13.23212 
1 1 1 15  21  14 o 103.6269 4.338267  2265.646       188.7416 0.000000       
0.000000 2265.646       188.7416 ?        ?        103.6269 4.338267 ? ? 
1 1 1 15  21  15 o 323.6091 16.71841  23638.27       2271.405 23638.27       
2271.405 0.000000       0.000000 323.6091 16.71841 ?        ?        ? ? 
1 1 1 15  21  16 o 198.9222 5.058030  8513.096       414.8035 7872.396       
636.0149 8987.341       547.1949 192.0442 7.888368 205.8002 6.333114 -13.75604 
10.11606 
1 1 1 15  21  17 o 122.4493 3.808259  3138.564       182.0100 3264.884       
326.6901 3081.706       219.1775 124.0443 6.273069 120.8543 4.319715 3.190056 
7.616517 
1 1 1 15  21  18 o 23.38115 6.601392  48.53239       90.99935 114.3802       
167.5501 20.98221       108.3768 27.32221 10.44722 19.44009 8.072736 7.882126 
13.20278 
1 1 1 15  21  19 o 83.11922 3.695780  1456.086       114.8706 1475.269       
220.4043 1448.933       134.5962 83.34198 6.299084 82.89645 3.867388 0.4455261 
7.391559 
1 1 1 15  21  20 o 78.73239 3.816147  1244.718       111.8165 1463.980       
223.5953 1171.599       129.1218 82.96154 6.419583 74.50323 4.128056 8.458305 
7.632293 
1 1 1 15  21  21 f 154.1906 3.485524  5008.174       212.0547 5112.914       
371.1401 4957.409       258.3830 155.1545 5.697634 153.2266 4.016527 1.927887 
6.971049 
1 1 1 15  21  22 o 64.48904 4.291858  799.4405       106.5984 1114.220       
206.4931 685.0751       124.4656 72.16834 6.815218 56.80974 5.218524 15.35860 
8.583716 
1 1 1 15  21  23 o 40.25552 6.396297  318.4994       97.67764 505.8302       
187.8372 249.0675       114.3553 47.23654 9.799889 33.27450 8.222691 13.96204 
12.79259 
1 1 1 15  21  24 o 98.17577 3.654971  2076.970       140.3439 1981.290       
245.2601 2123.552       171.1308 96.21285 6.071764 100.1387 4.070497 -3.925819 
7.309943 
1 1 1 15  21  25 o 40.98278 6.150195  380.1597       97.53429 359.9276       
174.3581 389.3739       117.6665 39.44183 10.38557 42.52374 6.590868 -3.081913 
12.30039 
1 1 1 15  21  26 o 135.4996 3.297454  3939.123       184.4849 3737.724       
283.8126 4086.485       242.7708 132.2822 5.110359 138.7169 4.168579 -6.434753 
6.594909 
1 1 1 15  21  27 o 22.76788 6.532857  65.47594       83.22865 45.43330       
185.8051 70.50684       93.09005 24.91272 10.47026 20.62304 7.815792 4.289675 
13.06571 
1 1 1 15  21  28 f 37.92660 6.630238  405.5854       102.4282 108.1077       
234.2393 475.9155       113.8946 28.94826 11.93269 46.90494 5.783695 -17.95669 
13.26048 
1 1 1 15  21  29 o 28.02598 7.507408  148.1860       107.0830 158.5828       
227.0040 145.2103       121.4441 30.02385 11.97824 26.02811 9.053538 3.995735 
15.01482 
1 1 1 15  21  30 f 21.66835 6.566109  16.79885       110.0952 -263.9333      
231.6417 98.71975       125.1319 19.88490 9.553169 23.45180 9.010665 -3.566896 
13.13222 
1 1 1 15  21  31 o 40.12511 6.821680  388.4395       102.2418 389.8990       
211.8376 387.9963       116.7387 38.59393 11.89894 41.65630 6.675059 -3.062370 
13.64336 
1 1 1 15  21  32 o 29.25238 7.683843  194.3129       113.8601 188.3106       
240.9744 196.0382       129.1910 30.02884 12.19403 28.47593 9.352615 1.552906 
15.36769 
1 1 1 15  21  33 o 49.65480 7.070128  670.2737       116.6154 540.3524       
254.7424 704.7184       131.1661 43.02419 13.00526 56.28541 5.550687 -13.26122 
14.14026 
1 1 1 15  21  34 o 28.64416 6.978187  222.6939       105.6811 21.26688       
242.9514 269.7015       117.3666 24.55322 11.08822 32.73510 8.475356 -8.181883 
13.95637 
1 1 1 15  21  35 o 36.06224 6.233190  403.6814       101.1766 129.2769       
205.9491 490.9763       116.1605 25.80329 10.94224 46.32119 5.973101 -20.51790 
12.46638 
1 1 1 15  21  36 o 26.28415 7.642963  136.7897       108.3558 290.0571       
258.8022 104.2121       119.3171 30.51907 12.55513 22.04922 8.719416 8.469843 
15.28593 
1 1 1 15  21  37 o 23.48273 7.338274  98.43991       120.5484 188.0401       
264.2248 74.88717       135.4689 26.27082 11.72433 20.69464 8.828435 5.576176 
14.67655 
1 1 1 15  21  38 o 26.88334 7.861467  253.8789       153.4137 122.0125       
267.3955 318.5845       187.3086 23.89458 11.09459 29.87209 11.14095 -5.977516 
15.72293 
1 1 1 15  22  0  o 49.84204 3.567045  518.1766       74.02522 593.2585       
113.9178 463.3013       97.38953 52.91148 5.128172 46.77260 4.959545 6.138878 
7.134090 
1 1 1 15  22  1  o 160.4814 3.707860  5446.166       248.7947 5545.503       
370.4034 5364.508       335.8295 161.7544 5.454310 159.2084 5.024281 2.546066 
7.415720 
1 1 1 15  22  2  o 109.4823 3.248036  2494.380       147.7082 2788.208       
230.1493 2288.587       192.6098 114.8552 4.772877 104.1095 4.406653 10.74562 
6.496072 
1 1 1 15  22  3  o 183.5790 4.007005  7147.183       304.5327 7095.629       
470.5778 7184.332       399.4576 182.8658 6.129430 184.2922 5.162793 -1.426453 
8.014009 
1 1 1 15  22  4  o 48.04494 4.144676  483.9969       83.14958 553.5925       
125.0251 428.8000       111.3431 51.11162 5.826375 44.97826 5.896330 6.133366 
8.289352 
1 1 1 15  22  5  o 66.38622 3.612007  932.8049       100.5485 902.4985       
144.2191 961.4693       140.2579 65.32170 5.258796 67.45074 4.952923 -2.129036 
7.224014 
1 1 1 15  22  6  o 76.63126 5.636242  1244.961       180.3553 1079.050       
244.8160 1441.874       266.7101 71.04887 8.207363 82.21365 7.727101 -11.16478 
11.27248 
1 1 1 15  22  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  22  8  o 139.0081 5.224785  4103.282       251.4415 4138.350       
538.9935 4093.529       284.2688 138.8150 9.248435 139.2012 4.864152 
-0.3862457     10.44957 
1 1 1 15  22  9  o 63.96627 5.016217  859.9657       111.2479 889.5780       
239.5633 851.8242       125.6135 64.42054 8.857618 63.51199 4.710875 0.9085464 
10.03243 
1 1 1 15  22  10 o 132.4874 5.142232  3742.171       233.9284 3727.819       
505.5889 3746.080       263.8718 131.7868 9.137908 133.1880 4.718989 -1.401230 
10.28446 
1 1 1 15  22  11 o 26.71648 6.834268  130.3221       99.72873 48.09816       
170.1537 173.3487       123.0867 24.80281 10.18796 28.63016 9.112314 -3.827341 
13.66854 
1 1 1 15  22  12 o 107.8002 4.244481  2440.790       175.4451 2518.330       
324.3301 2408.714       208.6007 108.7922 7.100851 106.8081 4.651925 1.984169 
8.488962 
1 1 1 15  22  13 o 64.48128 4.749961  818.2575       112.7369 1022.444       
232.0953 755.2057       128.9739 69.19550 7.989315 59.76705 5.139977 9.428455 
9.499922 
1 1 1 15  22  14 o 91.02655 4.415937  1673.135       142.4372 1918.775       
304.9500 1604.589       161.0893 94.85302 7.657702 87.20008 4.400184 7.652939 
8.831875 
1 1 1 15  22  15 o 61.75011 4.879550  804.1436       112.6228 825.9000       
216.8029 796.1026       131.8015 62.13769 8.310573 61.36252 5.116091 0.7751732 
9.759099 
1 1 1 15  22  16 o 140.4827 8.339070  4223.591       491.8351 0.000000       
0.000000 4223.591       491.8351 ?        ?        140.4827 8.339070 ? ? 
1 1 1 15  22  17 o 135.0825 4.801159  3906.063       247.6211 3821.310       
454.7182 3941.792       295.2361 133.6565 8.103511 136.5085 5.151467 -2.851944 
9.602318 
1 1 1 15  22  18 o 36.53774 7.011107  303.2672       113.2941 208.6420       
169.7449 379.2833       152.1409 31.85637 10.72050 41.21912 9.038433 -9.362745 
14.02221 
1 1 1 15  22  19 o 82.39179 3.641118  1390.683       118.1058 1571.509       
212.3187 1309.658       142.1242 86.03582 5.878006 78.74776 4.298837 7.288055 
7.282236 
1 1 1 15  22  20 o 21.56924 6.262495  39.43933       89.83742 -79.01650      
170.9964 84.60103       105.5830 20.66806 9.319729 22.47042 8.367677 -1.802361 
12.52499 
1 1 1 15  22  21 o 72.89422 3.928399  1155.109       110.5089 1062.058       
195.8904 1198.546       133.8395 70.50169 6.618122 75.28675 4.234351 -4.785065 
7.856798 
1 1 1 15  22  22 o 46.62317 5.416490  481.7146       96.27695 458.8010       
166.9552 493.1306       117.8447 45.15366 9.126268 48.09268 5.836494 -2.939018 
10.83298 
1 1 1 15  22  23 o 88.76564 3.506474  1718.810       121.2168 1552.182       
210.2587 1801.762       148.3521 85.23411 5.875728 92.29718 3.828480 -7.063072 
7.012948 
1 1 1 15  22  24 o 75.37341 3.927454  1231.695       115.4775 1162.622       
202.0964 1265.179       140.7106 73.52692 6.546865 77.21989 4.340291 -3.692970 
7.854907 
1 1 1 15  22  25 o 51.22499 4.790259  525.2209       96.76354 692.9928       
177.4469 454.2182       115.4373 56.45522 7.486612 45.99476 5.978041 10.46046 
9.580519 
1 1 1 15  22  26 o 71.39957 3.767349  1047.164       106.2110 1225.421       
190.9170 967.2672       127.8159 75.41550 6.029830 67.38362 4.518056 8.031883 
7.534698 
1 1 1 15  22  27 o 44.99236 6.780452  463.2750       108.1465 467.8715       
226.7645 461.9218       123.0404 43.84941 11.98105 46.13530 6.352364 -2.285896 
13.56090 
1 1 1 15  22  28 o 65.33479 5.066618  886.0626       121.8628 1061.200       
247.5762 830.0613       139.9967 68.66024 8.588644 62.00935 5.377515 6.650894 
10.13324 
1 1 1 15  22  29 o 30.89710 7.752964  203.7088       112.3042 233.2273       
234.7525 194.9482       127.8880 32.75874 12.41258 29.03547 9.293103 3.723278 
15.50593 
1 1 1 15  22  30 o 46.97205 7.107711  612.1984       125.6384 359.8387       
241.8069 705.5204       147.0451 37.39263 12.79532 56.55146 6.193380 -19.15883 
14.21542 
1 1 1 15  22  31 o 20.23915 6.625649  -80.63670      108.8111 7.069604       
231.2905 -105.5658      123.3092 24.83723 11.03183 15.64108 7.341359 9.196150 
13.25130 
1 1 1 15  22  32 o 27.23652 7.630581  132.7384       111.4686 225.4217       
237.5743 106.5751       126.2250 31.05696 12.29670 23.41608 9.038487 7.640884 
15.26116 
1 1 1 15  22  33 o 38.15214 7.909316  318.9482       116.7772 596.7363       
253.1882 243.8864       131.6122 45.34373 12.76265 30.96055 9.345798 14.38318 
15.81863 
1 1 1 15  22  34 o 35.52089 7.380777  370.0844       116.2469 235.5695       
253.1747 406.0196       130.8564 30.35778 12.44138 40.68399 7.944528 -10.32621 
14.76155 
1 1 1 15  22  35 o 31.57228 7.823551  281.2877       120.6390 264.2968       
253.1464 286.2803       137.2234 30.50212 12.46060 32.64244 9.463892 -2.140316 
15.64710 
1 1 1 15  22  36 o 65.72964 6.277061  1024.684       146.1548 1328.393       
312.0654 939.3474       165.4187 68.18837 10.90075 63.27090 6.227324 4.917465 
12.55412 
1 1 1 15  22  37 o 23.70695 7.362617  111.3024       120.3866 209.8225       
261.4339 84.78951       135.6214 26.46731 11.74568 20.94661 8.880960 5.520700 
14.72523 
1 1 1 15  22  38 o 41.52449 8.091750  654.9132       155.8672 505.4253       
279.9877 722.0453       187.6295 33.04053 13.25533 50.00846 9.284492 -16.96793 
16.18350 
1 1 1 15  23  0  o 76.37473 2.820408  1247.263       88.88564 1145.642       
135.6498 1323.725       117.6662 73.56014 4.392357 79.18932 3.539209 -5.629173 
5.640816 
1 1 1 15  23  1  o 96.13066 3.101515  1918.932       122.7521 2133.876       
197.6267 1783.917       156.6302 100.3800 4.689424 91.88130 4.060405 8.498711 
6.203031 
1 1 1 15  23  2  o 120.4276 3.359857  3067.912       169.7501 3027.089       
234.9848 3112.464       245.4850 119.6051 4.679627 121.2501 4.822410 -1.644974 
6.719713 
1 1 1 15  23  3  o 164.6469 3.435953  5614.062       192.3527 5945.873       
428.3344 5530.243       215.2810 167.2557 6.099903 162.0381 3.164533 5.217667 
6.871906 
1 1 1 15  23  4  o 28.84493 5.539438  152.4304       63.28461 270.9055       
125.0515 111.6423       73.37402 34.84106 8.591801 22.84879 6.994459 11.99228 
11.07888 
1 1 1 15  23  5  o 52.02592 3.793566  527.1127       75.11182 684.4332       
147.3559 471.8880       87.30543 56.77612 6.181911 47.27573 4.398697 9.500397 
7.587131 
1 1 1 15  23  6  o 36.19436 7.309381  248.3057       104.2688 399.6841       
212.2760 200.1680       119.7048 42.13713 11.62693 30.25159 8.861300 11.88554 
14.61876 
1 1 1 15  23  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  23  8  o 142.9664 4.440970  4380.266       260.0334 4133.585       
409.3866 4547.099       336.6714 139.3704 6.996554 146.5624 5.471481 -7.191986 
8.881941 
1 1 1 15  23  9  o 103.5275 4.121540  2360.109       166.5730 2011.662       
282.7142 2545.391       206.1564 97.24444 6.924747 109.8105 4.471717 -12.56602 
8.243080 
1 1 1 15  23  10 o 112.6704 3.947648  2769.440       180.9650 2218.769       
273.0719 3200.659       241.6461 102.2350 6.362072 123.1058 4.675440 -20.87078 
7.895296 
1 1 1 15  23  11 o 45.63390 6.646173  399.6196       112.8371 638.5426       
221.8680 316.2611       131.0511 53.55558 10.23356 37.71223 8.482973 15.84335 
13.29235 
1 1 1 15  23  12 o 27.98214 6.978116  140.6354       94.87916 179.2816       
176.7200 124.9842       112.4624 30.68501 10.89665 25.27928 8.720057 5.405733 
13.95623 
1 1 1 15  23  13 o 81.50572 4.691701  1464.047       143.8633 1290.047       
263.0172 1538.327       171.8489 77.68310 8.064524 85.32835 4.797051 -7.645256 
9.383403 
1 1 1 15  23  14 o 48.90703 5.755898  496.1390       107.1082 584.6677       
196.4408 458.6856       127.7718 51.35443 9.466320 46.45963 6.550590 4.894806 
11.51180 
1 1 1 15  23  15 o 90.11829 4.065381  1749.302       145.4932 1631.771       
245.4140 1812.998       180.6663 87.59577 6.673249 92.64081 4.645108 -5.045036 
8.130761 
1 1 1 15  23  16 o 87.83574 4.767319  1682.032       155.7446 1553.381       
293.8240 1732.303       183.6699 85.15094 8.218999 90.52055 4.832945 -5.369606 
9.534637 
1 1 1 15  23  17 o 71.47511 4.793517  1000.635       127.9460 1285.409       
258.6293 908.3569       147.2236 77.46955 7.951841 65.48067 5.355319 11.98888 
9.587034 
1 1 1 15  23  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  23  19 o 59.50959 6.582173  816.0748       141.1529 695.6526       
259.6998 866.5653       168.1604 55.24410 11.56959 63.77508 6.280494 -8.530975 
13.16435 
1 1 1 15  23  20 o 89.32130 3.300846  1644.674       114.4639 1809.174       
210.0909 1575.230       136.5027 92.27163 5.423258 86.37099 3.764388 5.900642 
6.601693 
1 1 1 15  23  21 o 55.40450 4.540732  666.3465       98.99342 627.6609       
170.3079 686.0865       121.6558 53.98032 7.514853 56.82868 5.099017 -2.848358 
9.081464 
1 1 1 15  23  22 o 25.24982 6.521319  119.5216       89.17326 46.93743       
161.5201 151.3452       106.9498 23.94526 9.893894 26.55438 8.498311 -2.609119 
13.04264 
1 1 1 15  23  23 o 25.78250 6.475877  69.18575       88.97210 257.8015       
162.5421 -11.50470      106.3134 33.85611 10.41983 17.70889 7.692534 16.14722 
12.95175 
1 1 1 15  23  24 o 62.77885 4.227024  761.4381       102.6410 1074.296       
197.3634 645.4510       120.1704 70.56920 6.661506 54.98850 5.205310 15.58070 
8.454047 
1 1 1 15  23  25 o 31.88650 6.341302  249.4783       89.91209 126.7388       
167.3810 299.2594       106.5974 27.24755 10.43518 36.52545 7.208008 -9.277901 
12.68260 
1 1 1 15  23  26 o 52.58037 4.822227  618.5645       94.33340 563.0012       
176.3605 640.8325       111.6475 50.41873 8.331640 54.74201 4.857907 -4.323284 
9.644454 
1 1 1 15  23  27 f 25.91134 7.262594  106.9563       106.2213 74.97648       
218.5821 116.8433       121.5370 27.23167 11.39617 24.59102 9.006016 2.640646 
14.52519 
1 1 1 15  23  28 o 22.16713 6.942847  -23.96880      106.3340 67.56718       
227.2468 -49.62917      120.3188 27.10707 11.49457 17.22720 7.790215 9.879869 
13.88569 
1 1 1 15  23  29 o 54.14412 6.125599  641.7114       115.5171 756.7915       
241.1650 607.4460       131.5959 55.63024 10.70793 52.65800 5.952494 2.972244 
12.25120 
1 1 1 15  23  30 f 35.61440 6.615525  361.1237       114.5764 23.33711       
237.0448 464.0992       130.8808 25.69714 11.32179 45.53167 6.846734 -19.83453 
13.23105 
1 1 1 15  23  31 o 28.63518 7.237309  198.8805       111.6769 39.76991       
233.4634 246.0901       127.1700 25.62749 11.26431 31.64286 9.090097 -6.015366 
14.47462 
1 1 1 15  23  32 o 41.13960 6.642931  418.0862       102.8898 422.2605       
202.1730 416.6271       119.5262 39.44313 11.50399 42.83607 6.646219 -3.392937 
13.28586 
1 1 1 15  23  33 o 34.40981 6.965801  356.7275       116.7940 78.62611       
250.3098 434.1243       132.0498 26.34867 11.61824 42.47096 7.688050 -16.12229 
13.93160 
1 1 1 15  23  34 o 25.06038 7.481023  101.0448       114.5259 175.7492       
249.5258 81.10791       128.9053 28.33253 12.03102 21.78824 8.894801 6.544294 
14.96205 
1 1 1 15  23  35 o 41.49270 7.569380  506.1921       125.2814 440.8914       
265.3367 524.9265       142.1209 36.16352 13.30079 46.82187 7.229867 -10.65835 
15.13876 
1 1 1 15  23  36 o 24.13220 7.228731  126.5841       117.5066 61.37919       
257.0617 143.8079       132.1178 24.26384 11.11057 24.00057 9.250592 0.2632675 
14.45746 
1 1 1 15  23  37 f 27.31910 7.918626  184.3705       120.3190 444.7487       
266.6686 117.8149       134.8223 32.51754 12.97963 22.12067 9.074559 10.39687 
15.83725 
1 1 1 15  24  0  o 43.91228 3.509652  430.6012       54.88217 370.7508       
108.3795 451.2415       63.64588 41.59489 6.206234 46.22968 3.279219 -4.634796 
7.019303 
1 1 1 15  24  1  o 114.7221 2.386880  2764.372       107.9020 2819.088       
189.3494 2738.059       131.3085 115.4490 3.906562 113.9952 2.743642 1.453827 
4.773761 
1 1 1 15  24  2  o 58.27340 2.960600  697.2892       65.56711 768.7090       
124.9793 670.1676       77.01688 60.18002 4.946601 56.36678 3.254496 3.813236 
5.921199 
1 1 1 15  24  3  o 20.51937 5.243814  57.02017       55.32372 129.8201       
101.4027 26.16633       66.01436 25.03876 8.285935 15.99998 6.429123 9.038775 
10.48763 
1 1 1 15  24  4  f 115.0786 2.541600  2786.901       117.3273 2817.539       
198.0690 2770.340       145.6258 115.4809 4.085333 114.6762 3.024727 0.8047028 
5.083200 
1 1 1 15  24  5  o 60.33577 3.102000  702.0717       72.97779 957.8818       
137.6331 602.0225       86.07381 67.26147 4.873913 53.41006 3.838566 13.85140 
6.204000 
1 1 1 15  24  6  o 37.17629 6.618687  299.3988       96.03185 333.3142       
179.4947 285.7978       113.6681 38.49989 10.71675 35.85270 7.770413 2.647190 
13.23737 
1 1 1 15  24  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  24  8  o 26.98520 6.877345  136.7354       95.19255 91.59117       
177.5373 154.9508       112.7738 26.83467 10.62840 27.13572 8.730896 
-0.3010464     13.75469 
1 1 1 15  24  9  o 117.6701 4.320675  2908.703       196.1177 3020.932       
359.2722 2861.067       234.0679 119.0096 7.190560 116.3306 4.792576 2.679008 
8.641350 
1 1 1 15  24  10 o 96.51756 4.158610  2020.104       153.2494 1868.384       
277.2903 2086.826       183.8842 93.62691 7.054318 99.40820 4.405988 -5.781288 
8.317220 
1 1 1 15  24  11 o 111.1507 4.612992  2521.958       196.6393 2888.637       
371.8647 2379.628       231.6808 116.2720 7.617821 106.0293 5.204572 10.24270 
9.225984 
1 1 1 15  24  12 o 107.6779 4.213332  2484.523       182.0819 2376.589       
302.4415 2545.884       228.0397 105.6444 6.818928 109.7114 4.950848 -4.067078 
8.426664 
1 1 1 15  24  13 o 67.67946 4.464356  961.4056       120.0435 1011.180       
208.6140 936.7649       146.7796 68.84441 7.217649 66.51450 5.256181 2.329910 
8.928712 
1 1 1 15  24  14 o 78.14354 4.451230  1219.656       130.5430 1476.659       
258.9159 1132.054       151.1628 83.13657 7.418014 73.15051 4.922079 9.986053 
8.902460 
1 1 1 15  24  15 o 79.77995 4.876256  1425.308       148.3724 1183.303       
260.1204 1542.018       180.6406 74.21583 8.348317 85.34409 5.041537 -11.12826 
9.752512 
1 1 1 15  24  16 o 162.5381 5.236765  5707.582       320.7567 5526.495       
599.6888 5780.151       379.6238 160.0134 8.926696 165.0628 5.478042 -5.049423 
10.47353 
1 1 1 15  24  17 o 82.62847 4.672095  1368.869       141.4199 1641.257       
290.7596 1284.464       161.8546 87.39299 7.924622 77.86395 4.951190 9.529037 
9.344191 
1 1 1 15  24  18 o 53.30851 6.477296  697.9960       123.1829 471.9661       
221.8448 798.7504       148.1147 45.34172 11.60486 61.27531 5.757495 -15.93359 
12.95459 
1 1 1 15  24  19 o 28.23167 7.434453  143.2665       117.9608 20.24823       
218.7504 193.7061       140.0715 26.39497 11.23811 30.06837 9.735980 -3.673407 
14.86891 
1 1 1 15  24  20 o 45.82219 13.00040  490.9258       261.6930 490.9258       
261.6930 0.000000       0.000000 45.82219 13.00040 ?        ?        ? ? 
1 1 1 15  24  21 o 101.6371 4.611732  2264.313       182.6936 2081.251       
317.5760 2354.862       223.3528 98.05939 7.713999 105.2148 5.056333 -7.155388 
9.223464 
1 1 1 15  24  22 o 23.17412 6.334847  82.35275       87.84246 -1.036710      
157.3981 120.0748       105.8624 21.89538 9.433222 24.45285 8.457866 -2.557468 
12.66969 
1 1 1 15  24  23 o 24.15073 6.029958  111.4023       84.07444 -57.75020      
157.8432 178.4010       99.33902 20.09928 9.013422 28.20217 8.012477 -8.102892 
12.05992 
1 1 1 15  24  24 o 17.38862 5.250599  -36.19460      79.21363 -341.3953      
156.8624 68.27715       91.77525 14.31444 7.076414 20.46281 7.758837 -6.148374 
10.50120 
1 1 1 15  24  25 o 71.97285 3.580413  1131.229       92.38196 1064.505       
184.9471 1153.412       106.6383 70.15564 6.279225 73.79007 3.442203 -3.634430 
7.160826 
1 1 1 15  24  26 f 33.76201 6.147716  184.0818       80.52813 470.9235       
172.9887 104.7269       90.98791 44.90002 9.471930 22.62400 7.839655 22.27602 
12.29543 
1 1 1 15  24  27 o 29.62554 7.209442  202.0731       108.7873 65.59028       
219.2475 246.6499       125.2997 26.80795 11.32516 32.44313 8.924405 -5.635183 
14.41888 
1 1 1 15  24  28 o 56.05367 6.037203  730.2629       111.1604 707.4213       
238.1019 736.6288       125.7000 53.75653 10.92992 58.35080 5.131087 -4.594265 
12.07441 
1 1 1 15  24  29 o 23.85144 7.107253  65.31078       108.0666 30.30838       
224.9683 75.81032       123.2132 25.51161 11.13629 22.19127 8.833751 3.320349 
14.21451 
1 1 1 15  24  30 o 49.05943 6.825632  576.9566       111.0062 595.7272       
247.6357 572.2363       124.1818 47.19567 12.35388 50.92319 5.808492 -3.727516 
13.65126 
1 1 1 15  24  31 o 37.49787 7.662922  355.8594       114.7978 379.6197       
243.2415 349.0505       130.2115 37.05519 12.82025 37.94055 8.397779 
-0.8853645     15.32584 
1 1 1 15  24  32 o 22.47878 6.918629  46.75487       112.6251 -60.71266      
238.1664 77.70853       127.8197 23.00312 10.59989 21.95443 8.894492 1.048695 
13.83726 
1 1 1 15  24  33 o 45.04609 7.131344  616.3066       123.0040 352.9737       
251.9558 698.7075       140.9411 34.58590 12.91686 55.50627 6.048068 -20.92037 
14.26269 
1 1 1 15  24  34 o 50.46397 7.162234  715.2814       124.7361 596.0967       
256.9991 752.0100       142.6670 43.51867 13.04429 57.40927 5.919193 -13.89061 
14.32447 
1 1 1 15  24  35 o 36.64243 8.164548  324.1798       120.1660 630.9591       
263.5186 243.6402       135.0214 43.44872 13.24619 29.83613 9.548707 13.61259 
16.32910 
1 1 1 15  24  36 o 40.11143 7.741833  496.0237       123.5320 510.1010       
265.5351 492.1354       139.5534 36.53022 13.31838 43.69265 7.897133 -7.162434 
15.48367 
1 1 1 15  24  37 o 22.49964 7.029876  107.2847       118.2323 84.72301       
255.2910 113.4452       133.4011 23.23412 10.80817 21.76516 8.992222 1.468958 
14.05975 
1 1 1 15  25  0  o 52.23019 2.791803  611.8206       51.29520 516.1010       
102.5668 643.7468       59.23515 49.19792 4.965707 55.26245 2.553115 -6.064529 
5.583605 
1 1 1 15  25  1  f 82.67953 2.363236  1429.905       70.18974 1472.670       
143.7787 1416.525       80.42424 83.34461 4.109018 82.01445 2.335703 1.330162 
4.726472 
1 1 1 15  25  2  o 58.90013 3.055104  806.7398       63.36632 600.9932       
121.7964 883.0988       74.19897 53.07242 5.466215 64.72784 2.730410 -11.65543 
6.110208 
1 1 1 15  25  3  o 29.85008 4.531217  191.2758       49.47318 200.9939       
99.52035 188.0859       57.01751 29.92555 7.830885 29.77461 4.561243 0.1509380 
9.062433 
1 1 1 15  25  4  o 19.07261 5.157667  44.16938       52.23312 91.71758       
101.6793 27.12350       60.88009 22.58716 8.240867 15.55807 6.204373 7.029096 
10.31533 
1 1 1 15  25  5  o 72.34612 2.682631  1111.546       74.51994 1091.511       
135.8011 1120.178       89.13966 71.78154 4.506210 72.91071 2.912063 -1.129166 
5.365263 
1 1 1 15  25  6  o 144.6306 3.667624  4128.599       124.4145 4834.600       
440.8544 4067.505       129.6860 150.2069 6.990791 139.0543 2.221415 11.15260 
7.335247 
1 1 1 15  25  7  o 56.78148 6.742982  689.2735       160.7451 0.000000       
0.000000 689.2735       160.7451 ?        ?        56.78148 6.742982 ? ? 
1 1 1 15  25  8  o 50.71719 5.420185  578.4875       103.3651 509.5267       
179.2233 612.8587       126.5290 47.73056 9.274737 53.70381 5.611848 -5.973248 
10.84037 
1 1 1 15  25  9  o 142.1356 4.887993  4290.024       265.8961 4386.375       
491.4714 4250.151       316.1630 142.7398 8.201138 141.5314 5.320829 1.208435 
9.775986 
1 1 1 15  25  10 o 135.4312 4.752120  3879.404       239.8757 3994.120       
463.8408 3837.524       280.2632 136.2729 8.107381 134.5895 4.959935 1.683411 
9.504240 
1 1 1 15  25  11 o 32.61843 7.389356  220.9151       109.0687 256.1835       
191.8227 204.0656       132.5869 34.63298 11.39638 30.60388 9.409193 4.029097 
14.77871 
1 1 1 15  25  12 o 80.84419 4.181410  1366.131       131.6134 1453.713       
238.4450 1327.756       157.8350 82.49034 6.885036 79.19804 4.746898 3.292297 
8.362821 
1 1 1 15  25  13 o 152.5998 5.229460  4867.488       284.3521 5225.031       
593.7649 4761.085       323.9110 155.3488 9.103907 149.8508 5.148582 5.497955 
10.45892 
1 1 1 15  25  14 o 81.66202 4.261727  1321.744       126.8855 1622.149       
264.1069 1231.599       144.6760 87.02869 7.228337 76.29534 4.516683 10.73335 
8.523455 
1 1 1 15  25  15 o 133.9037 4.973884  3884.973       256.9278 3717.294       
460.3109 3960.853       309.6515 131.2433 8.354014 136.5642 5.400791 -5.320923 
9.947768 
1 1 1 15  25  16 o 43.01513 6.985194  445.2561       107.8778 332.4405       
232.7771 476.1135       121.7405 38.77898 12.55035 47.25127 6.136812 -8.472282 
13.97039 
1 1 1 15  25  17 o 67.74933 5.034234  969.7180       127.2965 1019.737       
246.6770 951.5630       148.6134 68.58643 8.566659 66.91222 5.290218 1.674210 
10.06847 
1 1 1 15  25  18 o 53.51231 6.293146  640.2970       125.3755 615.4921       
226.9848 651.1874       150.4005 51.87777 10.78035 55.14684 6.496057 -3.269066 
12.58629 
1 1 1 15  25  19 o 19.02781 6.261686  -116.0470      112.6415 -217.9390      
214.0861 -77.04175      132.4585 20.35261 9.583858 17.70300 8.061299 2.649612 
12.52337 
1 1 1 15  25  20 o 63.33558 5.601905  864.0074       137.6474 888.8508       
248.3524 852.9921       165.3710 63.59152 9.302298 63.07963 6.244409 0.5118942 
11.20381 
1 1 1 15  25  21 o 69.58391 5.562115  1034.712       162.4904 0.000000       
0.000000 1034.712       162.4904 ?        ?        69.58391 5.562115 ? ? 
1 1 1 15  25  22 o 46.66793 11.83798  515.5217       232.3917 515.5217       
232.3917 0.000000       0.000000 46.66793 11.83798 ?        ?        ? ? 
1 1 1 15  25  23 o 36.08369 7.151251  333.0509       119.6410 103.5007       
227.4189 420.8932       140.6824 28.96467 11.81782 43.20272 8.056099 -14.23805 
14.30250 
1 1 1 15  25  24 o 61.81612 3.907207  772.3948       91.65686 936.8913       
178.3448 713.3527       106.8471 65.76461 6.459355 57.86763 4.397929 7.896976 
7.814413 
1 1 1 15  25  25 o 71.77928 3.408187  994.0544       84.43326 1304.760       
192.7406 920.2698       93.92511 77.67470 5.910371 65.88387 3.395656 11.79083 
6.816375 
1 1 1 15  25  26 o 58.13002 4.295899  727.3445       91.87140 751.1516       
180.8217 719.0602       106.6646 58.27675 7.390541 57.98330 4.381656 0.2934570 
8.591799 
1 1 1 15  25  27 o 49.51650 6.671407  610.5732       112.7370 503.8400       
232.1056 643.5282       128.9724 44.62830 12.08914 54.40470 5.646527 -9.776394 
13.34281 
1 1 1 15  25  28 o 23.99588 7.052039  65.89425       96.48267 104.1796       
219.6568 56.74188       107.3977 27.57038 11.47358 20.42139 8.202559 7.148989 
14.10408 
1 1 1 15  25  29 f 53.48633 6.270748  633.7917       115.5252 759.2593       
245.0935 597.9542       130.9891 54.93258 11.01564 52.04008 5.995399 2.892494 
12.54150 
1 1 1 15  25  30 o 24.17685 7.232571  21.38598       102.3894 220.7584       
234.5250 -25.56404      113.8085 31.14057 12.25297 17.21313 7.687974 13.92744 
14.46514 
1 1 1 15  25  31 o 49.51185 6.843284  774.5659       123.8967 300.6852       
241.9059 943.0760       144.2529 33.63385 12.63772 65.38985 5.254548 -31.75601 
13.68657 
1 1 1 15  25  32 o 29.37523 7.457136  221.7650       112.6227 137.4575       
239.4028 245.7254       127.6271 27.66385 11.76684 31.08660 9.163894 -3.422754 
14.91427 
1 1 1 15  25  33 o 41.27891 7.291619  488.8756       119.2413 376.5904       
248.8309 522.3469       135.8561 35.16903 12.88575 47.38878 6.828491 -12.21975 
14.58324 
1 1 1 15  25  34 o 27.23623 7.783816  155.6372       115.6971 273.8616       
259.0510 126.1792       129.3103 30.80242 12.59780 23.67005 9.145847 7.132364 
15.56763 
1 1 1 15  25  35 o 25.25563 7.580515  78.47619       108.6195 343.1843       
261.2731 23.16669       119.4294 31.97445 12.81422 18.53681 8.102632 13.43765 
15.16103 
1 1 1 15  25  36 o 41.14726 7.297888  503.6509       112.6835 531.9413       
249.7795 496.4220       126.2621 37.23013 12.98074 45.06439 6.673605 -7.834259 
14.59578 
1 1 1 15  25  37 o 29.79464 7.475113  315.8646       123.6194 219.3795       
246.7596 348.1932       142.8360 25.84750 11.44843 33.74178 9.614720 -7.894283 
14.95023 
1 1 1 15  26  0  o 67.30510 2.886201  915.5029       64.73612 1043.827       
150.5054 886.3726       71.70837 69.80435 5.135594 64.80585 2.635583 4.998505 
5.772402 
1 1 1 15  26  1  o 81.05309 2.289709  1401.702       72.43993 1355.160       
127.6502 1423.810       87.97854 79.93825 3.803540 82.16794 2.550324 -2.229691 
4.579418 
1 1 1 15  26  2  o 45.30100 3.185918  428.9233       56.54113 457.6609       
101.3234 415.9280       68.13634 46.28305 5.214456 44.31895 3.661933 1.964092 
6.371837 
1 1 1 15  26  3  o 91.16682 2.483812  1749.736       85.91272 1776.880       
161.1060 1738.950       101.5581 91.51379 4.193207 90.81985 2.663514 0.6939316 
4.967624 
1 1 1 15  26  4  o 75.03002 2.598097  1241.363       77.26401 1016.250       
125.5082 1378.736       98.04436 69.20986 4.319417 80.85018 2.888436 -11.64032 
5.196194 
1 1 1 15  26  5  o 38.26593 4.388766  269.7235       63.64468 470.0591       
122.6303 195.8683       74.45770 46.82590 6.237819 29.70596 6.175329 17.11994 
8.777533 
1 1 1 15  26  6  o 44.69237 5.285259  394.7964       74.39249 512.1981       
182.9271 371.5320       81.43041 47.54803 9.499614 41.83670 4.636073 5.711323 
10.57052 
1 1 1 15  26  7  o 61.48689 6.026515  808.0115       155.5706 0.000000       
0.000000 808.0115       155.5706 ?        ?        61.48689 6.026515 ? ? 
1 1 1 15  26  8  o 140.8303 4.299266  4268.064       248.7305 4078.013       
389.4389 4399.003       323.2513 137.8873 6.727229 143.7732 5.355293 -5.885941 
8.598533 
1 1 1 15  26  9  o 19.50282 6.235686  -55.01212      91.20116 -28.47003      
191.4291 -62.80555      103.7301 23.34462 10.23077 15.66102 7.132070 7.683594 
12.47137 
1 1 1 15  26  10 o 71.25438 4.860087  1142.308       132.8212 945.5944       
230.0923 1240.615       162.6582 66.08150 8.293606 76.42726 5.069307 -10.34576 
9.720174 
1 1 1 15  26  11 o 119.8118 4.518784  3194.822       206.0611 2754.133       
366.6530 3398.274       249.1269 113.0196 7.727207 126.6040 4.686992 -13.58440 
9.037567 
1 1 1 15  26  12 o 60.01856 5.023312  692.3572       113.6877 967.4634       
228.9676 602.3420       130.9730 66.88471 8.153955 53.15241 5.869213 13.73230 
10.04662 
1 1 1 15  26  13 o 19.84898 6.372835  -54.50323      98.37164 -84.75668      
205.2515 -45.48162      112.0833 22.70049 10.22481 16.99747 7.609555 5.703014 
12.74567 
1 1 1 15  26  14 o 32.55351 7.452618  188.2181       99.25729 332.2501       
217.8645 150.4916       111.5014 38.43840 12.11081 26.66862 8.688745 11.76979 
14.90524 
1 1 1 15  26  15 o 34.25108 6.636682  291.7224       98.04732 130.3330       
195.2349 346.1539       113.3822 28.93788 11.22619 39.56427 7.082004 -10.62639 
13.27336 
1 1 1 15  26  16 o 31.82076 7.278711  196.1610       100.9017 290.4710       
196.0270 162.1666       117.6903 36.09417 11.50073 27.54734 8.924779 8.546831 
14.55742 
1 1 1 15  26  17 o 65.55803 4.746664  883.0551       113.5356 1007.081       
232.1297 844.0555       130.1678 68.10246 8.118748 63.01361 4.920285 5.088848 
9.493327 
1 1 1 15  26  18 f 93.04716 4.655828  1883.156       161.6392 1809.190       
306.1548 1911.742       190.3282 91.25460 7.991115 94.83974 4.780066 -3.585136 
9.311657 
1 1 1 15  26  19 o 40.91076 6.942999  418.2878       114.9208 250.3524       
217.4503 483.3707       135.3700 34.46205 12.10242 47.35948 6.808269 -12.89743 
13.88600 
1 1 1 15  26  20 o 60.90508 5.063666  766.4865       118.2759 895.2244       
224.1710 716.8237       139.2327 63.95327 8.349063 57.85690 5.732015 6.096371 
10.12733 
1 1 1 15  26  21 o 34.05029 6.873956  112.9826       114.2111 578.4612       
223.2664 -51.99491      132.9186 49.71017 10.99096 18.39042 8.258560 31.31975 
13.74791 
1 1 1 15  26  22 o 85.14162 5.106030  1656.386       163.9863 1382.504       
292.0747 1782.466       198.1687 79.00060 8.806120 91.28264 5.170921 -12.28204 
10.21206 
1 1 1 15  26  23 o 62.45370 5.885699  840.9536       154.3246 0.000000       
0.000000 840.9536       154.3246 ?        ?        62.45370 5.885699 ? ? 
1 1 1 15  26  24 o 66.75702 5.850077  932.1082       154.9489 1179.502       
278.7156 821.4436       186.4107 72.34894 9.175934 61.16511 7.259189 11.18383 
11.70015 
1 1 1 15  26  25 o 22.60559 6.280837  34.04416       101.5382 -147.7339      
155.7475 168.4168       133.9078 17.41621 8.193328 27.79496 9.521817 -10.37875 
12.56167 
1 1 1 15  26  26 o 37.61001 6.760167  246.7504       83.17820 519.3248       
217.9280 200.2714       89.99091 45.74911 11.37931 29.47091 7.301414 16.27820 
13.52033 
1 1 1 15  26  27 o 46.99973 6.772835  560.7778       112.5387 448.5160       
226.8837 597.4113       129.6064 41.76985 12.18811 52.22961 5.910588 -10.45975 
13.54567 
1 1 1 15  26  28 o 23.68266 7.112794  41.57961       104.8447 123.7485       
221.1930 17.76892       119.0704 28.02011 11.57790 19.34522 8.265565 8.674885 
14.22559 
1 1 1 15  26  29 o 26.97377 7.131746  156.8448       104.0787 141.1538       
188.9796 163.6762       124.6935 27.28785 10.91388 26.65969 9.183379 0.6281567 
14.26349 
1 1 1 15  26  30 o 28.03893 6.828815  199.6236       103.2111 -23.98837      
230.4518 255.7302       115.4356 23.73095 10.75364 32.34690 8.419620 -8.615950 
13.65763 
1 1 1 15  26  31 o 54.80032 6.195859  661.8000       119.7238 883.0297       
251.0340 596.6648       136.2130 58.26505 10.65887 51.33560 6.320057 6.929447 
12.39172 
1 1 1 15  26  32 o 50.51418 7.105614  641.7991       124.9757 696.8867       
261.0374 625.4171       142.3506 48.80544 12.64140 52.22292 6.492607 -3.417484 
14.21123 
1 1 1 15  26  33 o 24.66989 7.400107  32.93910       112.6344 302.3126       
244.4339 -39.67679      126.9112 32.09287 12.53838 17.24691 7.863550 14.84596 
14.80021 
1 1 1 15  26  34 o 33.36907 7.913373  238.2776       113.2814 573.6716       
248.8248 150.5859       127.2316 42.00467 12.88490 24.73347 9.190500 17.27121 
15.82675 
1 1 1 15  26  35 f 36.10889 7.171628  414.8450       113.5301 296.4984       
241.0556 448.5783       128.6972 30.05787 12.19935 42.15990 7.543522 -12.10202 
14.34326 
1 1 1 15  26  36 o 20.26044 6.442016  52.10129       100.2922 -14.54701      
236.4014 66.72985       110.7532 21.25924 10.02836 19.26164 8.088893 1.997606 
12.88403 
1 1 1 15  27  0  o 50.70729 3.490400  586.4905       65.20589 477.0379       
119.9882 632.3608       77.67686 46.83237 6.102580 54.58222 3.389702 -7.749855 
6.980799 
1 1 1 15  27  1  o 45.36655 3.786521  419.4840       64.31924 496.0535       
127.2825 393.2267       74.53603 47.77338 6.346054 42.95972 4.132623 4.813660 
7.573042 
1 1 1 15  27  2  o 61.52114 2.683342  795.8251       62.06949 821.4050       
118.5318 786.1606       72.85734 62.04224 4.550598 61.00005 2.844882 1.042187 
5.366684 
1 1 1 15  27  3  o 27.31716 4.738761  147.2324       50.66434 233.6197       
94.66430 112.5546       59.97729 32.15429 7.193779 22.48003 6.170330 9.674255 
9.477522 
1 1 1 15  27  4  o 30.87707 4.519856  174.8383       55.02107 330.4427       
103.2120 113.0625       65.03214 39.14883 6.279604 22.60531 6.502536 16.54353 
9.039713 
1 1 1 15  27  5  o 37.36930 4.491068  311.1418       60.88658 294.3298       
115.1068 317.6731       71.74535 36.08108 7.819022 38.65752 4.420596 -2.576439 
8.982136 
1 1 1 15  27  6  o 80.03951 2.728534  1402.249       86.47211 1209.626       
143.2739 1512.619       108.4521 75.43521 4.523912 84.64379 3.051856 -9.208580 
5.457069 
1 1 1 15  27  7  o 74.70625 4.147672  1170.636       112.6293 1245.764       
227.9929 1146.384       129.5394 75.89520 7.155304 73.51730 4.196944 2.377899 
8.295343 
1 1 1 15  27  8  o 73.28156 4.420038  1164.847       115.9950 1127.796       
234.2296 1176.886       133.5167 72.07409 7.740761 74.48904 4.269375 -2.414948 
8.840076 
1 1 1 15  27  9  f 53.22005 5.128998  498.0165       96.43460 847.7887       
221.6876 416.3829       107.0985 62.31301 8.473908 44.12709 5.780947 18.18592 
10.25800 
1 1 1 15  27  10 o 136.9952 4.654730  4033.967       228.6590 4031.498       
464.5465 4034.756       262.6842 136.1307 8.128194 137.8597 4.538557 -1.728943 
9.309460 
1 1 1 15  27  11 o 76.09802 4.129550  1208.912       121.5316 1314.167       
223.8108 1164.899       144.7277 78.13815 6.822428 74.05789 4.654803 4.080261 
8.259099 
1 1 1 15  27  12 o 41.78873 6.706458  383.6925       104.4467 405.5222       
208.3403 376.3643       120.7117 41.76853 11.51576 41.80894 6.877037 
-0.4040909E-01 13.41292 
1 1 1 15  27  13 o 88.93343 4.019239  1703.468       134.3011 1657.383       
252.6915 1721.610       158.5479 87.73632 6.860129 90.13055 4.189958 -2.394226 
8.038478 
1 1 1 15  27  14 o 57.17574 6.108775  817.9323       118.1829 542.0548       
221.2473 928.0776       139.7986 48.32182 11.12821 66.02965 5.042953 -17.70782 
12.21755 
1 1 1 15  27  15 o 30.88273 6.747243  138.0201       92.90545 388.9653       
185.5592 54.06862       107.3266 40.99290 10.67714 20.77256 8.252269 20.22034 
13.49449 
1 1 1 15  27  16 o 57.67461 5.939029  793.5646       116.2070 625.2259       
226.4582 853.7368       135.3923 52.04851 10.73004 63.30071 5.094557 -11.25220 
11.87806 
1 1 1 15  27  17 o 29.09411 7.241630  47.11483       108.5833 385.7674       
222.3616 -58.92402      124.4271 40.65781 12.12268 17.53042 7.924992 23.12739 
14.48326 
1 1 1 15  27  18 o 130.2934 5.310472  3781.292       278.8867 3302.456       
444.5428 4092.062       358.1291 122.6044 8.636315 137.9824 6.182113 -15.37799 
10.62094 
1 1 1 15  27  19 o 60.52617 5.132830  742.8773       118.4605 925.9622       
229.5724 676.4390       138.2939 64.91832 8.423129 56.13402 5.868105 8.784298 
10.26566 
1 1 1 15  27  20 o 73.14877 4.864278  1135.718       134.8599 1219.183       
255.8476 1103.605       158.6966 74.48357 8.181669 71.81398 5.263562 2.669586 
9.728556 
1 1 1 15  27  21 o 29.03267 7.572769  155.1650       110.2788 190.9384       
218.0328 142.8673       127.8362 31.63806 11.96988 26.42729 9.279510 5.210766 
15.14554 
1 1 1 15  27  22 o 117.3300 4.409035  3080.375       189.3864 2769.151       
361.9900 3197.669       222.2268 112.1716 7.686611 122.4883 4.321383 -10.31680 
8.818069 
1 1 1 15  27  23 f 52.54655 6.435842  654.3864       122.3751 577.9380       
227.6747 685.4461       145.1207 48.90212 11.30658 56.19098 6.151539 -7.288860 
12.87168 
1 1 1 15  27  24 o 37.82640 7.504383  346.3524       115.9637 318.0216       
227.5539 356.2910       134.7779 36.48648 12.41249 39.16631 8.437598 -2.679825 
15.00877 
1 1 1 15  27  25 o 41.76246 12.94221  447.1798       250.1796 0.000000       
0.000000 447.1798       250.1796 ?        ?        41.76246 12.94221 ? ? 
1 1 1 15  27  26 o 32.05503 8.367169  195.9074       138.2528 357.3293       
258.9669 131.5614       163.5023 37.56904 13.20596 26.54102 10.27816 11.02803 
16.73434 
1 1 1 15  27  27 o 37.91244 8.084469  362.6454       135.7971 382.8430       
225.9577 351.2259       169.9034 38.32613 12.36129 37.49874 10.42271 0.8273926 
16.16894 
1 1 1 15  27  28 f 35.85773 7.666495  269.9482       109.9195 481.2379       
231.6018 208.5178       124.8804 42.32207 12.30292 29.39338 9.150883 12.92870 
15.33299 
1 1 1 15  27  29 o 22.28336 5.886254  17.35556       108.7463 -738.2224      
238.7877 215.0659       122.1482 14.94517 7.569995 29.62156 9.015937 -14.67639 
11.77251 
1 1 1 15  27  30 o 75.64157 5.207232  1337.383       134.4072 1291.719       
284.7234 1350.477       152.4643 72.65417 9.334342 78.62897 4.618560 -5.974800 
10.41446 
1 1 1 15  27  31 o 41.95195 6.529409  435.4695       100.8467 457.3564       
201.7132 428.1759       116.4439 40.57504 11.38234 43.32887 6.401185 -2.753830 
13.05882 
1 1 1 15  27  32 o 46.48787 7.111224  485.1446       118.4067 789.8080       
250.2101 397.2281       134.4095 53.08144 11.54955 39.89430 8.299757 13.18714 
14.22245 
1 1 1 15  27  33 o 24.71736 6.967023  136.5109       113.1925 -49.40273      
233.5704 193.5756       129.4035 22.17210 10.32341 27.26262 9.358682 -5.090517 
13.93405 
1 1 1 15  27  34 o 24.47329 7.096109  137.0193       114.8677 36.43680       
229.8958 170.4845       132.6070 23.35003 10.62937 25.59655 9.404014 -2.246527 
14.19222 
1 1 1 15  27  35 o 41.46615 7.683735  512.6215       122.6298 590.0328       
253.8676 489.0614       140.0532 39.70015 13.11054 43.23215 8.017038 -3.531994 
15.36747 
1 1 1 15  27  36 o 20.89221 6.614195  67.41507       116.3069 -53.30494      
236.8203 105.7879       133.5184 20.38715 9.761619 21.39727 8.927547 -1.010122 
13.22839 
1 1 1 15  28  0  o 80.70811 2.620521  1346.803       80.09288 1491.009       
153.5621 1292.915       93.87235 83.31944 4.389942 78.09677 2.863029 5.222672 
5.241042 
1 1 1 15  28  1  o 35.31380 4.374629  242.0092       58.93624 375.3499       
113.4435 192.7161       68.97499 41.32988 6.537877 29.29772 5.814268 12.03216 
8.749259 
1 1 1 15  28  2  o 35.63258 4.606637  220.0921       60.26027 446.8091       
127.4086 154.7612       68.39371 45.12969 6.724459 26.13548 6.298099 18.99421 
9.213273 
1 1 1 15  28  3  o 101.4571 2.847400  2088.359       107.0252 2419.212       
214.7279 1979.000       123.4525 106.2284 4.814695 96.68580 3.041292 9.542618 
5.694800 
1 1 1 15  28  4  o 26.76407 5.266548  166.5125       55.73474 130.5478       
119.6788 176.4727       62.98129 25.34800 8.970677 28.18014 5.520241 -2.832134 
10.53310 
1 1 1 15  28  5  o 23.09193 5.357129  119.9560       59.37912 29.18589       
125.7020 146.0286       67.36950 20.70290 8.651631 25.48095 6.320173 -4.778051 
10.71426 
1 1 1 15  28  6  o 77.37869 2.865694  1308.323       85.42706 1177.756       
150.9723 1369.818       103.6093 74.25803 4.842560 80.49934 3.065686 -6.241310 
5.731389 
1 1 1 15  28  7  o 53.21395 4.566183  615.0089       92.25488 604.6340       
170.7927 619.2829       109.6231 52.56101 7.739744 53.86690 4.847314 -1.305889 
9.132365 
1 1 1 15  28  8  o 39.14305 7.242087  343.0869       128.3908 175.6433       
174.4156 541.1388       189.6883 29.75382 10.79928 48.53228 9.652294 -18.77846 
14.48417 
1 1 1 15  28  9  o 51.06715 5.666771  535.7756       97.05608 658.6357       
216.5951 504.9082       108.5658 53.54499 10.00628 48.58930 5.321982 4.955688 
11.33354 
1 1 1 15  28  10 o 28.35388 6.806983  167.3604       90.05880 159.1523       
173.4921 170.3880       105.3668 29.02134 10.74234 27.68642 8.363145 1.334921 
13.61397 
1 1 1 15  28  11 o 56.70360 4.649366  641.1809       101.2544 827.5593       
194.9945 572.3726       118.4800 61.67969 7.530109 51.72751 5.455628 9.952179 
9.298733 
1 1 1 15  28  12 o 47.30345 5.907981  455.7596       102.4998 598.6335       
204.3443 407.7262       118.4835 51.11300 9.874975 43.49390 6.488594 7.619106 
11.81596 
1 1 1 15  28  13 o 52.21035 5.221013  539.2498       102.8183 717.9769       
205.3222 479.4304       118.7851 57.16670 8.554877 47.25401 5.987484 9.912697 
10.44203 
1 1 1 15  28  14 o 52.37926 5.976774  631.3534       108.4686 571.4044       
215.3274 651.7383       125.5632 49.55756 10.65518 55.20096 5.417972 -5.643398 
11.95355 
1 1 1 15  28  15 o 40.89294 6.297061  423.6974       97.26499 262.7909       
185.9456 484.3080       114.1231 34.26007 11.22044 47.52581 5.719590 -13.26574 
12.59412 
1 1 1 15  28  16 o 140.3830 4.780662  4254.667       254.2833 4284.819       
475.2553 4242.573       300.9900 139.8225 8.096009 140.9435 5.086604 -1.121017 
9.561323 
1 1 1 15  28  17 o 25.05213 6.950917  52.52702       98.28766 200.0346       
191.6507 -0.1148771     114.4904 31.35564 11.32623 18.74862 8.060860 12.60703 
13.90183 
1 1 1 15  28  18 o 82.34515 4.537094  1486.352       138.5482 1420.418       
264.2591 1511.346       162.7031 80.48617 7.820414 84.20412 4.602392 -3.717957 
9.074188 
1 1 1 15  28  19 o 78.58440 4.850858  1339.261       140.6393 1350.677       
273.9660 1335.176       163.8805 78.15216 8.349812 79.01662 4.940032 
-0.8644638     9.701715 
1 1 1 15  28  20 o 44.31356 6.826746  437.8451       111.5727 480.6893       
222.7843 423.5018       128.9027 44.57805 11.74027 44.04907 6.970218 0.5289841 
13.65349 
1 1 1 15  28  21 o 65.85866 5.503138  878.4470       137.1351 1155.779       
271.4939 783.4515       158.8954 71.66992 9.022860 60.04740 6.302866 11.62252 
11.00628 
1 1 1 15  28  22 o 65.48740 5.207294  926.5367       131.0705 999.1947       
242.6283 896.5955       155.7528 66.63600 8.672686 64.33881 5.766122 2.297195 
10.41459 
1 1 1 15  28  23 o 54.10651 6.544925  685.8085       130.3979 657.7109       
239.5863 697.6348       155.4364 51.82185 11.32428 56.39116 6.565424 -4.569313 
13.08985 
1 1 1 15  28  24 o 40.29473 7.199790  436.2130       124.9422 221.5727       
238.6645 517.2441       146.6420 32.38411 12.44374 48.20535 7.245765 -15.82125 
14.39958 
1 1 1 15  28  25 o 32.06697 7.269748  261.9958       117.9555 70.01745       
229.7556 330.7070       137.4528 26.92991 11.49315 37.20404 8.905298 -10.27413 
14.53950 
1 1 1 15  28  26 o 44.21210 8.024002  502.2759       140.8078 482.9933       
265.2379 509.8428       166.1544 42.17250 13.37178 46.25171 8.873216 -4.079205 
16.04800 
1 1 1 15  28  27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  28  28 o 81.86082 5.939256  1600.855       190.7188 1477.747       
323.4615 1666.462       236.1310 77.68138 9.918059 86.04027 6.536908 -8.358887 
11.87851 
1 1 1 15  28  29 o 23.82368 7.229134  40.25452       111.8613 163.9370       
229.1027 1.539629       128.1785 28.62297 11.80030 19.02438 8.354309 9.598593 
14.45827 
1 1 1 15  28  30 o 20.35834 6.572688  -22.88796      109.0873 -43.61516      
225.2666 -16.53825      124.6819 22.67095 10.38936 18.04572 8.053697 4.625227 
13.14538 
1 1 1 15  28  31 o 82.00491 4.696675  1459.681       144.0898 1773.634       
284.8813 1351.755       167.0302 86.03777 7.886711 77.97205 5.102431 8.065727 
9.393350 
1 1 1 15  28  32 o 34.51511 7.701260  341.8600       121.1858 315.3213       
230.1517 352.0405       142.5471 32.49924 12.29735 36.53098 9.274307 -4.031746 
15.40252 
1 1 1 15  28  33 o 47.40617 6.539322  785.6389       128.1054 204.7956       
243.3668 1008.269       150.6689 28.17351 11.91841 66.63882 5.385394 -38.46532 
13.07864 
1 1 1 15  28  34 o 34.55875 6.238053  392.4951       121.3742 -21.01173      
231.7037 548.8723       142.4881 21.81797 10.20625 47.29953 7.175344 -25.48156 
12.47611 
1 1 1 15  28  35 o 43.16413 6.564255  503.8058       107.4359 600.3654       
202.5488 466.0038       126.7328 43.20935 11.10620 43.11891 7.000715 
0.9043884E-01  13.12851 
1 1 1 15  28  36 o 23.66213 7.134719  152.0796       119.0514 126.8231       
237.7247 160.5342       137.5417 23.61303 10.76509 23.71124 9.366410 
-0.9821320E-01 14.26944 
1 1 1 15  29  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  29  1  o 24.71372 5.228443  130.6913       53.55104 165.1850       
103.2379 117.9937       62.63667 26.68404 8.322808 22.74340 6.330664 3.940645 
10.45689 
1 1 1 15  29  2  o 52.05591 3.258512  514.0652       65.42989 775.6238       
127.1570 419.8722       76.30713 59.84681 5.060813 44.26500 4.106064 15.58181 
6.517023 
1 1 1 15  29  3  o 59.38307 3.395107  721.2435       78.74505 866.3901       
145.2273 660.7995       93.71766 63.17010 5.475929 55.59605 4.015121 7.574055 
6.790213 
1 1 1 15  29  4  o 48.11510 3.951554  480.6890       72.08369 553.1023       
138.8472 453.9705       84.34016 50.18862 6.589507 46.04159 4.363201 4.147030 
7.903108 
1 1 1 15  29  5  o 21.41778 5.593692  36.97272       54.36492 186.7549       
133.2527 7.062894       59.54606 28.81948 9.498499 14.01608 5.910675 14.80340 
11.18738 
1 1 1 15  29  6  o 58.36609 3.458630  688.2214       70.67566 811.0967       
154.5553 655.7337       79.47151 61.13985 6.021164 55.59232 3.405005 5.547539 
6.917260 
1 1 1 15  29  7  o 84.38226 3.910290  1581.457       130.2602 1383.932       
217.5148 1691.904       162.6512 79.72694 6.498374 89.03757 4.351161 -9.310623 
7.820580 
1 1 1 15  29  8  o 57.56539 8.212814  734.9910       198.4871 734.9910       
198.4871 0.000000       0.000000 57.56539 8.212814 ?        ?        ? ? 
1 1 1 15  29  9  o 25.13826 6.663436  116.4023       88.42016 82.32034       
175.3748 128.0185       102.3856 25.64066 10.40592 24.63585 8.325998 1.004810 
13.32687 
1 1 1 15  29  10 o 65.10051 4.264574  934.1288       109.1074 856.9589       
186.4648 974.3070       134.5453 62.66836 7.087116 67.53265 4.745432 -4.864296 
8.529147 
1 1 1 15  29  11 o 33.11522 6.772765  232.6859       91.02005 306.5688       
175.7954 205.6252       106.3908 36.20840 10.77536 30.02204 8.208105 6.186365 
13.54553 
1 1 1 15  29  12 o 35.64907 6.693455  294.3514       94.21384 280.8966       
183.4574 299.1709       109.7984 34.91197 11.12609 36.38617 7.444429 -1.474197 
13.38691 
1 1 1 15  29  13 f 20.13412 6.229477  -1.699642      92.91041 -116.0746      
190.2609 34.11599       106.4683 20.66991 9.504007 19.59832 8.056016 1.071590 
12.45895 
1 1 1 15  29  14 o 44.39044 6.315410  411.2390       101.3748 525.7523       
208.0417 375.5822       116.0897 47.18249 10.74022 41.59838 6.647196 5.584106 
12.63082 
1 1 1 15  29  15 o 34.35639 7.033396  157.6465       96.79566 534.4092       
222.4794 69.67624       107.5038 47.28160 11.33734 21.43118 8.327024 25.85041 
14.06679 
1 1 1 15  29  16 o 69.08501 4.750419  1012.395       116.3312 1087.580       
244.0849 990.2969       132.3269 70.06869 8.297321 68.10134 4.628214 1.967346 
9.500837 
1 1 1 15  29  17 o 20.55859 6.617579  -71.73747      110.3133 -26.00621      
213.6941 -88.35146      128.8021 24.21977 10.70001 16.89741 7.789690 7.322363 
13.23516 
1 1 1 15  29  18 o 83.59399 4.365281  1518.331       136.0448 1508.129       
259.8801 1522.182       159.6712 82.77417 7.478237 84.41383 4.505407 -1.639656 
8.730562 
1 1 1 15  29  19 o 63.71634 6.379858  1027.325       139.9854 698.0345       
252.7099 1173.096       168.1388 53.66605 11.54708 73.76662 5.429116 -20.10056 
12.75972 
1 1 1 15  29  20 o 72.03859 4.783318  1113.297       127.9801 1191.784       
250.1772 1085.477       148.9441 73.02313 8.160341 71.05405 4.992931 1.969086 
9.566636 
1 1 1 15  29  21 o 30.31597 7.810389  155.4937       110.1008 312.6495       
240.1520 113.6706       123.8879 36.23448 12.71908 24.39746 9.068274 11.83702 
15.62078 
1 1 1 15  29  22 o 15.23270 5.317244  -261.2861      107.9551 -518.8850      
225.3219 -184.5359      122.9904 16.43778 8.186769 14.02761 6.787425 2.410166 
10.63449 
1 1 1 15  29  23 o 54.68146 6.243148  682.4773       121.5413 718.9645       
238.9752 669.7461       141.1619 54.10279 10.90349 55.26013 6.084524 -1.157337 
12.48630 
1 1 1 15  29  24 o 79.18990 5.743120  1449.262       158.7713 1385.293       
326.5771 1469.062       181.6884 76.20291 10.20787 82.17687 5.266218 -5.973961 
11.48624 
1 1 1 15  29  25 o 40.78941 7.700273  410.7124       124.4061 447.1556       
239.3112 397.2167       145.6308 40.90123 12.65446 40.67759 8.777319 0.2236366 
15.40055 
1 1 1 15  29  26 o 36.42604 8.486974  353.6196       149.8841 298.5006       
257.0004 382.0304       184.5126 34.37339 12.99828 38.47869 10.91603 -4.105305 
16.97395 
1 1 1 15  29  27 o 37.63839 8.491309  375.8503       142.6166 385.7648       
276.1562 372.2443       166.5447 37.14133 13.57811 38.13544 10.20020 
-0.9941177     16.98262 
1 1 1 15  29  28 o 32.94193 8.150875  297.9264       144.7654 121.9387       
285.6058 358.7738       167.9371 28.83313 12.56729 37.05072 10.38317 -8.217583 
16.30175 
1 1 1 15  29  29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  29  30 o 55.89326 8.010674  834.5024       160.8583 884.1157       
320.5055 817.7973       185.9780 52.99522 14.13899 58.79131 7.534762 -5.796089 
16.02135 
1 1 1 15  29  31 o 31.03952 7.115867  121.3695       111.0902 575.1533       
222.9896 -28.43421      128.1213 44.43126 11.76595 17.64779 8.006535 26.78347 
14.23173 
1 1 1 15  29  32 o 18.99125 6.334460  -122.9121      108.9130 78.00934       
218.1674 -189.6071      125.6965 24.38218 10.78648 13.60031 6.644795 10.78187 
12.66892 
1 1 1 15  29  33 o 40.52713 7.020946  506.8129       118.2456 355.0251       
228.8394 562.1021       138.1123 32.65404 12.28731 48.40022 6.796826 -15.74617 
14.04189 
1 1 1 15  29  34 o 18.49877 6.178466  -43.05225      112.4120 -91.15576      
226.6166 -27.35287      129.4627 19.95445 9.553131 17.04309 7.837821 2.911354 
12.35693 
1 1 1 15  29  35 o 27.71992 7.498474  252.3775       116.5134 257.0874       
238.3466 250.8986       133.5590 26.88831 11.59653 28.55153 9.509408 -1.663221 
14.99695 
1 1 1 15  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  30  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  30  2  f 43.07305 3.697581  375.2973       62.28082 491.7183       
116.0781 328.2338       73.80349 47.19563 5.858276 38.95047 4.513206 8.245155 
7.395163 
1 1 1 15  30  3  o 26.84885 5.657080  165.6811       65.11242 170.5254       
118.1818 163.5698       78.02216 27.15130 8.945245 26.54639 6.927683 0.6049118 
11.31416 
1 1 1 15  30  4  o 26.91515 5.717698  141.0402       64.70654 249.0680       
124.7154 101.2491       75.69120 32.25330 8.917400 21.57701 7.158789 10.67628 
11.43540 
1 1 1 15  30  5  o 36.23903 5.423713  269.1531       73.33719 403.5731       
142.6483 220.8600       85.50217 41.44363 8.490904 31.03442 6.750645 10.40921 
10.84743 
1 1 1 15  30  6  o 51.44749 4.373687  591.0602       85.22509 552.8579       
155.8735 607.3503       101.7867 49.74160 7.464032 53.15337 4.561225 -3.411770 
8.747374 
1 1 1 15  30  7  o 35.19440 6.061872  288.3515       83.96877 292.7028       
151.2943 286.4145       100.9424 34.93521 9.876328 35.45359 7.031597 
-0.5183792     12.12374 
1 1 1 15  30  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  30  9  o 53.04794 4.744328  669.0811       92.80515 492.2139       
155.2858 767.3541       115.7512 46.26977 8.294376 59.82612 4.608459 -13.55635 
9.488655 
1 1 1 15  30  10 o 42.98238 5.692397  431.0090       94.61426 380.5024       
160.0300 458.1511       117.3140 40.07007 9.619978 45.89468 6.088476 -5.824612 
11.38479 
1 1 1 15  30  11 o 44.52446 5.716773  441.9169       97.81339 469.7817       
172.7749 428.7737       118.6603 44.70522 9.492175 44.34369 6.373742 0.3615341 
11.43355 
1 1 1 15  30  12 o 26.38456 6.774780  124.2870       88.58257 192.4083       
170.3312 99.03226       103.7110 29.99019 10.69305 22.77892 8.321617 7.211279 
13.54956 
1 1 1 15  30  13 o 52.28577 5.651209  602.3958       103.3070 642.0125       
209.9871 589.7456       118.6600 52.27850 9.926356 52.29305 5.404822 
-0.1455307E-01 11.30242 
1 1 1 15  30  14 o 45.75038 6.378934  538.5731       105.3163 357.0653       
199.2361 608.9558       124.0663 38.40889 11.47965 53.09187 5.566047 -14.68298 
12.75787 
1 1 1 15  30  15 o 65.95503 4.985547  983.3182       120.2034 896.9449       
230.4816 1015.589       140.8801 63.13031 8.695995 68.77975 4.878767 -5.649441 
9.971093 
1 1 1 15  30  16 o 26.32619 6.962544  136.5527       96.49248 57.86126       
204.5393 159.0789       109.4355 25.95596 10.95066 26.69642 8.601815 
-0.7404652     13.92509 
1 1 1 15  30  17 o 67.09972 5.260196  956.8971       127.8753 1081.584       
262.4072 918.0652       146.4402 68.99662 9.058765 65.20281 5.349523 3.793808 
10.52039 
1 1 1 15  30  18 o 42.16904 6.988891  373.6392       109.3556 555.6053       
220.5592 314.3259       125.9232 47.60846 11.20780 36.72961 8.352454 10.87885 
13.97778 
1 1 1 15  30  19 o 43.57513 7.203964  412.8882       117.3208 575.2451       
232.1896 357.2262       135.9524 48.08250 11.61543 39.06777 8.524683 9.014736 
14.40793 
1 1 1 15  30  20 o 46.67022 6.501130  492.7580       111.7439 549.1323       
216.9439 472.4003       130.3681 47.09069 11.13466 46.24974 6.714030 0.8409576 
13.00226 
1 1 1 15  30  21 o 42.80791 6.828723  444.9311       111.8494 408.9962       
211.4839 458.8859       131.7895 40.16581 11.78236 45.45000 6.906659 -5.284199 
13.65745 
1 1 1 15  30  22 o 53.93318 6.550364  801.8886       121.2394 448.3738       
221.9385 952.2549       144.7451 41.67080 12.02093 66.19556 5.208302 -24.52476 
13.10073 
1 1 1 15  30  23 o 27.39136 7.375754  109.1765       108.3222 281.3478       
210.2754 46.98193       126.3818 33.76469 11.89670 21.01803 8.722126 12.74666 
14.75151 
1 1 1 15  30  24 o 24.07755 7.105692  70.89248       110.2030 97.02489       
206.0222 60.41838       130.4316 26.42830 11.06220 21.72679 8.921388 4.701517 
14.21138 
1 1 1 15  30  25 o 43.47787 7.862719  552.9573       136.3661 311.4410       
317.7017 607.5023       150.9816 35.14162 14.11090 51.81412 6.940598 -16.67249 
15.72544 
1 1 1 15  30  26 o 32.56090 7.849119  285.7319       142.8483 31.45294       
275.6983 379.0478       167.0155 26.70040 11.94447 38.42141 10.18648 -11.72101 
15.69824 
1 1 1 15  30  27 o 37.25877 8.731552  354.6362       143.1655 486.5085       
290.0116 312.1447       164.6227 40.01800 13.98385 34.49953 10.46001 5.518471 
17.46310 
1 1 1 15  30  28 o 33.20763 8.638846  290.5021       146.4423 335.3644       
287.4446 274.7763       170.1842 34.26265 13.53854 32.15262 10.73437 2.110027 
17.27769 
1 1 1 15  30  29 o 59.49608 7.626845  886.1801       161.6615 1061.669       
324.6642 828.3251       186.4146 59.79293 13.28228 59.19923 7.500408 0.5937042 
15.25369 
1 1 1 15  30  30 o 42.62830 9.069684  505.5052       159.9562 734.9036       
311.6024 423.4275       186.3882 46.55985 14.44685 38.69674 10.96928 7.863110 
18.13937 
1 1 1 15  30  31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  30  32 o 25.25088 7.574008  118.0539       157.9840 -246.4552      
306.4377 250.0106       184.3757 21.27969 10.39172 29.22207 11.02155 -7.942381 
15.14802 
1 1 1 15  30  33 o 20.13678 6.517467  16.21608       108.7093 17.41406       
225.4886 15.85333       124.0814 22.08809 10.22979 18.18547 8.078421 3.902618 
13.03493 
1 1 1 15  30  34 o 23.31252 7.155483  110.2439       111.7417 242.5188       
232.8854 70.68379       127.3599 26.71708 11.49205 19.90796 8.528576 6.809128 
14.31097 
1 1 1 15  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  31  2  o 52.02678 3.434923  591.1899       63.54816 594.0082       
130.3587 590.3113       72.78199 51.53709 6.024780 52.51646 3.301030 
-0.9793777     6.869845 
1 1 1 15  31  3  o 15.33274 4.858364  -15.18344      57.10224 -28.83689      
113.9371 -10.60373      65.98770 17.07990 7.658681 13.58558 5.979917 3.494316 
9.716728 
1 1 1 15  31  4  o 20.98730 5.627158  54.46914       67.11256 155.7090       
118.4864 6.645636       81.43545 26.06776 8.954564 15.90685 6.817287 10.16091 
11.25432 
1 1 1 15  31  5  o 57.54659 3.974482  745.0828       85.70322 686.3079       
158.6806 769.2888       101.8335 55.28511 6.836547 59.80808 4.055569 -4.522968 
7.948964 
1 1 1 15  31  6  o 39.28655 5.148322  331.0381       75.52980 411.0063       
144.4729 300.9612       88.60237 41.54744 8.575112 37.02566 5.699852 4.521778 
10.29664 
1 1 1 15  31  7  o 44.29054 4.409872  414.4014       79.63440 515.4236       
133.5260 358.6326       99.20937 48.16361 6.603404 40.41747 5.846618 7.746147 
8.819744 
1 1 1 15  31  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  31  9  o 21.33332 6.222276  38.92372       82.93280 101.9033       
154.3000 13.33908       98.34574 24.91455 9.895660 17.75209 7.546045 7.162464 
12.44455 
1 1 1 15  31  10 o 29.61138 6.463847  213.7102       89.64745 131.6742       
160.9615 250.6002       107.9380 26.49762 10.21108 32.72513 7.928373 -6.227510 
12.92769 
1 1 1 15  31  11 o 25.54041 6.303710  143.6543       87.85149 2.870629       
168.3015 196.3804       102.9969 22.07391 9.633950 29.00690 8.132283 -6.932989 
12.60742 
1 1 1 15  31  12 o 63.12568 4.299967  886.9819       104.4359 832.7642       
186.3042 911.8257       126.1136 61.14371 7.257582 65.10764 4.613717 -3.963936 
8.599935 
1 1 1 15  31  13 o 31.57571 6.544068  243.2296       90.76488 184.3607       
165.7858 268.4276       108.4644 29.16152 10.53420 33.98991 7.767237 -4.828386 
13.08814 
1 1 1 15  31  14 o 33.85590 6.752676  265.9250       93.76990 291.7697       
174.7023 255.4663       111.1351 34.66595 10.82968 33.04583 8.069241 1.620121 
13.50535 
1 1 1 15  31  15 o 37.46778 6.737285  331.7042       99.60110 345.2007       
184.2155 326.1288       118.3993 37.41338 11.00346 37.52218 7.777400 
-0.1087952     13.47457 
1 1 1 15  31  16 o 69.91322 4.363327  1016.548       115.0120 1203.495       
224.6427 950.1385       133.8907 73.44867 7.284996 66.37776 4.804509 7.070908 
8.726653 
1 1 1 15  31  17 o 72.12756 4.385713  1142.332       124.0460 1143.546       
217.6451 1141.748       150.9659 71.57290 7.243049 72.68223 4.947340 -1.109329 
8.771426 
1 1 1 15  31  18 o 35.65825 7.027164  279.3435       107.4510 442.0414       
183.4807 194.4200       132.5603 42.37395 10.38130 28.94255 9.473786 13.43140 
14.05433 
1 1 1 15  31  19 o 26.01924 6.583464  144.8079       97.57745 3.202838       
175.1665 208.5200       117.4959 22.34967 9.790706 29.68881 8.803981 -7.339146 
13.16693 
1 1 1 15  31  20 o 42.72794 6.363704  500.1081       108.6107 245.8275       
188.2523 626.9789       132.9734 32.06206 11.26052 53.39383 5.931912 -21.33177 
12.72741 
1 1 1 15  31  21 o 78.00094 4.095252  1306.472       128.6784 1452.437       
219.1581 1229.677       158.9644 80.81206 6.459552 75.18982 5.035724 5.622238 
8.190503 
1 1 1 15  31  22 f 48.84137 6.872508  630.2316       125.4894 452.2306       
225.0938 710.5043       151.1597 41.21046 12.17691 56.47228 6.375610 -15.26181 
13.74502 
1 1 1 15  31  23 o 29.80859 7.433371  210.4138       110.1793 203.5775       
204.7731 213.1994       130.7131 30.01372 11.52828 29.60346 9.387155 0.4102669 
14.86674 
1 1 1 15  31  24 o 34.89149 7.937462  272.0198       117.7464 450.7307       
238.2692 214.2757       135.4398 40.23909 12.66270 29.54390 9.574406 10.69519 
15.87492 
1 1 1 15  31  25 f 35.34539 8.551968  295.5848       138.2556 477.7425       
271.4781 231.7977       160.6489 40.31189 13.55765 30.37889 10.42760 9.933004 
17.10394 
1 1 1 15  31  26 f 27.54554 8.281397  127.7455       144.9328 150.1865       
314.9527 121.7168       163.2440 29.92327 13.11828 25.16781 10.11122 4.755463 
16.56279 
1 1 1 15  31  27 o 49.03136 8.226653  531.8741       148.0745 1024.494       
313.6674 390.6100       167.9691 59.69611 12.88205 38.36661 10.23543 21.32950 
16.45331 
1 1 1 15  31  28 o 21.51670 7.160261  -71.61254      142.1146 -73.07529      
293.1010 -71.16296      162.4931 24.30569 11.39201 18.72771 8.677527 5.577974 
14.32052 
1 1 1 15  31  29 o 36.05488 8.968368  354.8962       151.5178 556.3947       
302.4896 287.4061       175.0631 40.10208 14.25470 32.00768 10.88715 8.094402 
17.93674 
1 1 1 15  31  30 o 44.41137 8.889122  378.6247       148.9323 1233.075       
363.7221 206.5069       163.2448 60.95922 14.41970 27.86351 10.39895 33.09572 
17.77824 
1 1 1 15  31  31 o 25.65301 8.034083  111.1184       142.7213 219.9281       
321.4676 84.40589       159.2796 28.85721 12.90390 22.44881 9.574721 6.408400 
16.06817 
1 1 1 15  31  32 o 24.37090 7.753386  85.02449       137.9145 250.4948       
301.9291 41.39714       155.0331 28.28465 12.58047 20.45714 9.065967 7.827515 
15.50677 
1 1 1 15  31  33 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  31  34 o 19.85411 6.572829  -2.543942      134.8330 -270.2777      
293.7414 68.92590       151.7662 19.24444 9.551534 20.46378 9.031974 -1.219341 
13.14566 
1 1 1 15  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  32  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  32  3  o 28.79012 5.239242  147.4126       60.84778 352.8455       
122.5191 80.15282       70.10460 38.14852 7.914814 19.43171 6.866901 18.71681 
10.47848 
1 1 1 15  32  4  o 40.91572 4.316958  344.1981       68.08231 461.7894       
130.7320 300.4381       79.75040 44.91052 6.933539 36.92091 5.144955 7.989613 
8.633917 
1 1 1 15  32  5  o 17.05646 5.294259  1.951231       66.42735 -12.66788      
127.8874 7.352750       77.73655 18.56675 8.230404 15.54617 6.661617 3.020580 
10.58852 
1 1 1 15  32  6  o 44.43349 5.327487  476.4298       84.89469 420.4360       
158.9012 498.7967       100.4291 41.12820 9.403195 47.73879 5.010824 -6.610588 
10.65497 
1 1 1 15  32  7  o 21.59512 6.107159  75.56212       81.39276 32.99254       
147.2620 94.28653       97.66636 21.45292 9.179952 21.73731 8.057173 
-0.2843876     12.21432 
1 1 1 15  32  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  32  9  o 54.58388 4.220303  666.2729       89.43455 637.2413       
157.6403 680.0524       108.6045 53.14018 7.065865 56.02758 4.617075 -2.887402 
8.440606 
1 1 1 15  32  10 o 38.03506 6.369705  344.1767       95.59808 369.7776       
167.2248 331.7483       116.5147 38.43736 10.19384 37.63276 7.640563 0.8045998 
12.73941 
1 1 1 15  32  11 o 24.73460 5.929377  114.6110       91.46720 -105.2563      
151.8898 239.7085       114.5704 17.83104 8.310960 31.63817 8.459195 -13.80714 
11.85875 
1 1 1 15  32  12 o 37.08567 6.504111  283.0686       91.53674 474.4029       
183.3005 219.5009       105.6539 43.76460 10.16235 30.40674 8.120374 13.35787 
13.00822 
1 1 1 15  32  13 o 23.52027 6.378334  103.9706       88.75867 4.324708       
168.0776 142.5050       104.5211 21.88942 9.589808 25.15112 8.412380 -3.261692 
12.75667 
1 1 1 15  32  14 o 22.57559 6.373350  79.31248       91.69978 -18.20492      
169.5874 119.6057       109.0106 21.29641 9.454350 23.85477 8.549480 -2.558361 
12.74670 
1 1 1 15  32  15 o 43.61428 6.181980  456.7722       101.2656 426.6841       
185.9334 469.4609       120.7449 41.17303 10.67107 46.05553 6.244652 -4.882492 
12.36396 
1 1 1 15  32  16 o 37.29810 6.865788  334.2318       103.0524 363.6363       
184.4774 320.8939       124.2456 37.84383 10.97341 36.75236 8.254716 1.091465 
13.73158 
1 1 1 15  32  17 o 40.09006 6.253226  348.5937       105.3851 590.3231       
174.0046 208.5608       132.4375 50.64586 8.183476 29.53425 9.457381 21.11161 
12.50645 
1 1 1 15  32  18 o 26.69429 7.038756  153.7162       106.4808 56.44875       
196.3041 194.2659       126.7474 24.78496 10.60209 28.60363 9.261315 -3.818676 
14.07751 
1 1 1 15  32  19 o 39.41331 7.012286  332.2676       106.2314 547.4558       
208.7654 257.0793       123.4026 46.30112 10.90661 32.52549 8.816720 13.77563 
14.02457 
1 1 1 15  32  20 o 28.49094 7.418361  151.7256       106.6857 290.4623       
207.0773 101.5947       124.4771 33.71877 11.81318 23.26311 8.976468 10.45565 
14.83672 
1 1 1 15  32  21 o 27.78326 6.686171  180.4839       112.7464 -124.7243      
217.4871 292.6509       131.8463 21.10965 9.879524 34.45688 9.011909 -13.34723 
13.37234 
1 1 1 15  32  22 o 63.79084 6.412674  1104.908       134.3351 711.6135       
250.6568 1263.391       159.1155 51.62378 11.81499 75.95790 4.989542 -24.33412 
12.82535 
1 1 1 15  32  23 o 60.08152 5.410783  783.2796       131.5193 1073.168       
225.9033 634.6415       161.7604 67.70197 7.947715 52.46107 7.344395 15.24089 
10.82157 
1 1 1 15  32  24 o 27.95212 6.883679  191.2691       112.6761 -15.37971      
202.5925 283.8192       135.5800 22.46619 10.13667 33.43805 9.316010 -10.97186 
13.76736 
1 1 1 15  32  25 o 35.85151 8.732757  276.4763       141.7773 621.2211       
295.0812 173.0057       161.6595 44.50130 14.10337 27.20172 10.30238 17.29959 
17.46551 
1 1 1 15  32  26 o 28.55127 8.342899  120.4223       141.6182 377.9352       
291.9774 41.20469       161.9425 35.18346 13.71226 21.91908 9.507350 13.26438 
16.68580 
1 1 1 15  32  27 o 28.24380 8.196429  181.2508       142.5250 195.0025       
286.9632 176.7477       164.2103 29.50169 12.72403 26.98592 10.33562 2.515766 
16.39286 
1 1 1 15  32  28 o 44.23741 7.696587  630.9247       153.3096 331.2083       
286.6769 750.9742       181.4335 32.73663 13.29798 55.73819 7.753284 -23.00156 
15.39317 
1 1 1 15  32  29 o 24.67791 7.606571  104.7173       131.3751 41.19867       
298.9731 119.9171       146.2517 25.65099 11.84137 23.70484 9.551002 1.946148 
15.21314 
1 1 1 15  32  30 o 25.47765 7.802046  43.86916       129.3021 389.6158       
278.4029 -51.22271      146.0046 33.19006 13.25773 17.76523 8.229233 15.42483 
15.60409 
1 1 1 15  32  31 o 25.62860 7.699730  81.93298       122.8414 414.7910       
263.0473 -10.90380      138.9199 33.07674 12.98880 18.18046 8.272517 14.89627 
15.39946 
1 1 1 15  32  32 o 30.47493 8.268944  241.7108       127.7178 608.0878       
275.5457 141.4605       144.1360 37.72710 13.58549 23.22275 9.430602 14.50435 
16.53789 
1 1 1 15  32  33 o 18.95018 6.355963  -29.70711      124.8234 -166.9906      
266.8799 8.733653       141.2221 19.61014 9.604592 18.29021 8.327356 1.319929 
12.71193 
1 1 1 15  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  33  3  o 45.96101 4.702096  498.4165       82.05766 476.7906       
141.8657 509.2897       100.5928 44.05914 7.961089 47.86287 5.005983 -3.803730 
9.404191 
1 1 1 15  33  4  o 33.18436 5.215357  288.1375       66.34299 202.4414       
125.4828 321.3854       78.16023 28.23917 9.217410 38.12955 4.882534 -9.890375 
10.43071 
1 1 1 15  33  5  o 35.57669 5.452878  365.9011       71.71043 178.6199       
148.7734 422.5819       81.84580 27.19001 9.963552 43.96337 4.434314 -16.77336 
10.90576 
1 1 1 15  33  6  o 38.63971 5.531470  353.4482       78.25012 365.3308       
152.4862 349.2005       91.16960 37.67525 9.608522 39.60417 5.483151 -1.928913 
11.06294 
1 1 1 15  33  7  o 22.00907 6.224518  73.26038       76.87234 127.7160       
154.8951 55.46492       88.54640 25.19454 9.943724 18.82361 7.490052 6.370928 
12.44904 
1 1 1 15  33  8  o 60.99884 5.160199  819.6243       132.1499 0.000000       
0.000000 819.6243       132.1499 ?        ?        60.99884 5.160199 ? ? 
1 1 1 15  33  9  o 22.82610 5.523458  119.0029       70.93516 -26.39142      
136.5757 172.7131       83.00962 18.68536 8.381676 26.96684 7.195964 -8.281479 
11.04692 
1 1 1 15  33  10 o 20.09409 5.908347  45.28815       79.11766 54.61143       
133.8811 40.28495       98.07512 21.45671 8.945189 18.73148 7.721258 2.725222 
11.81669 
1 1 1 15  33  11 o 23.96373 6.268448  119.4140       88.21491 18.67018       
150.3387 172.3144       108.9408 21.05097 9.146039 26.87649 8.574597 -5.825520 
12.53690 
1 1 1 15  33  12 o 57.66314 4.707767  717.0162       111.4029 959.1584       
179.6817 565.8140       141.9867 65.28760 6.555326 50.03868 6.758695 15.24892 
9.415533 
1 1 1 15  33  13 o 46.11854 5.249381  436.0600       92.40672 621.3367       
182.0098 371.7179       107.2585 51.46223 8.424171 40.77484 6.265569 10.68739 
10.49876 
1 1 1 15  33  14 o 29.67952 5.886647  236.3774       96.17828 -74.73865      
183.0593 355.0027       113.0367 20.33957 9.339636 39.01947 7.168099 -18.67989 
11.77329 
1 1 1 15  33  15 o 35.72840 6.036815  365.3905       102.6841 60.51105       
186.7952 497.4178       122.9231 24.25756 10.35820 47.19925 6.203251 -22.94168 
12.07363 
1 1 1 15  33  16 o 42.60485 6.665231  479.3502       108.2092 359.4337       
205.1026 525.6028       127.3796 36.72890 11.77012 48.48080 6.258226 -11.75190 
13.33046 
1 1 1 15  33  17 o 69.94886 4.639060  1024.481       127.6412 1335.545       
234.6421 893.7451       152.1174 76.37453 7.317765 63.52320 5.703845 12.85133 
9.278121 
1 1 1 15  33  18 o 53.84330 6.046795  690.6738       118.3620 688.9689       
221.3097 691.3570       140.0795 51.99900 10.50507 55.68760 5.991523 -3.688599 
12.09359 
1 1 1 15  33  19 o 16.96953 5.682741  -129.6743      106.2656 -204.7574      
175.1398 -85.92820      133.6851 17.11999 8.244755 16.81906 7.822927 0.3009281 
11.36548 
1 1 1 15  33  20 o 27.35452 7.397203  113.7484       115.9780 313.9549       
207.7400 23.09179       139.7916 34.20807 11.84659 20.50097 8.861876 13.70710 
14.79441 
1 1 1 15  33  21 o 41.53727 7.195290  422.1598       114.3001 510.9777       
219.2375 389.0071       133.9443 43.08271 11.78451 39.99183 8.259190 3.090874 
14.39058 
1 1 1 15  33  22 o 22.49802 6.886803  50.85657       110.2023 2.336061       
218.7179 67.36568       127.5803 23.52900 10.57882 21.46704 8.820477 2.061964 
13.77361 
1 1 1 15  33  23 f 24.19351 7.257905  76.82255       111.8854 135.5807       
229.7649 58.55857       128.0994 27.34432 11.57474 21.04269 8.759800 6.301634 
14.51581 
1 1 1 15  33  24 o 30.27818 8.268176  209.5435       129.1312 325.7728       
275.7906 176.9075       146.1404 33.57681 13.26324 26.97954 9.876103 6.597267 
16.53635 
1 1 1 15  33  25 o 64.17568 5.729299  938.0008       137.3439 1132.022       
270.3176 870.4854       159.4597 66.59705 9.668081 61.75431 6.150421 4.842747 
11.45860 
1 1 1 15  33  26 o 23.78809 6.844897  92.12786       121.7994 -197.1078      
235.2407 198.0663       142.3683 19.89174 9.573628 27.68444 9.785505 -7.792698 
13.68979 
1 1 1 15  33  27 o 31.11981 8.236880  258.7785       128.7085 334.8450       
277.7343 237.9745       145.2466 32.62337 13.15456 29.61625 9.916763 3.007120 
16.47376 
1 1 1 15  33  28 o 23.46280 7.284821  -98.92778      126.9331 353.6761       
255.1183 -247.8326      146.3312 32.84859 12.81442 14.07701 6.932894 18.77159 
14.56964 
1 1 1 15  33  29 o 21.79133 7.010340  11.42035       118.9329 132.9558       
246.7676 -25.35290      135.7384 25.76718 11.42618 17.81549 8.125379 7.951687 
14.02068 
1 1 1 15  33  30 o 24.33804 7.520489  82.71370       123.2373 315.3879       
258.2269 14.08926       140.2383 29.77949 12.41954 18.89659 8.484458 10.88290 
15.04098 
1 1 1 15  33  31 o 18.71452 6.209753  -33.92324      121.3113 -275.6524      
257.2789 35.18455       137.5635 18.32646 9.060472 19.10258 8.494231 
-0.7761288     12.41951 
1 1 1 15  33  32 o 24.08751 7.533892  114.0872       126.3200 335.8941       
267.5210 50.44277       143.3014 28.56158 12.30160 19.61344 8.701074 8.948141 
15.06778 
1 1 1 15  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  34  4  o 28.30354 5.831241  164.6730       61.99217 298.2025       
140.3036 132.2809       69.10344 33.22638 9.548929 23.38070 6.695627 9.845675 
11.66248 
1 1 1 15  34  5  o 19.50159 5.587381  61.05439       65.79513 67.86549       
124.0031 58.38550       77.62275 20.91658 8.657343 18.08660 7.065814 2.829983 
11.17476 
1 1 1 15  34  6  o 19.86748 5.506319  63.66607       75.19268 -151.0137      
157.1020 127.4586       85.63889 16.61907 7.955793 23.11588 7.614693 -6.496809 
11.01264 
1 1 1 15  34  7  o 32.09133 6.290473  237.1894       79.10067 334.6935       
157.6309 204.3730       91.44816 35.29746 10.11399 28.88520 7.482469 6.412264 
12.58095 
1 1 1 15  34  8  o 42.15920 6.146629  387.8754       91.68259 574.5198       
194.8769 334.8214       103.8991 46.68287 10.22333 37.63553 6.826990 9.047340 
12.29326 
1 1 1 15  34  9  o 66.03786 4.625791  884.8661       100.4194 1200.017       
243.5895 820.3404       110.2212 70.74019 8.201880 61.33554 4.280297 9.404648 
9.251582 
1 1 1 15  34  10 o 46.37692 5.366920  506.9697       93.16328 515.7787       
167.8576 503.0481       111.9965 45.31968 9.142624 47.43416 5.623856 -2.114487 
10.73384 
1 1 1 15  34  11 o 23.29969 6.063151  118.3294       81.74274 27.53065       
142.1961 163.1449       99.89919 20.63934 8.929935 25.96004 8.203869 -5.320700 
12.12630 
1 1 1 15  34  12 o 64.32314 3.949977  926.7120       100.3716 906.5328       
172.2750 937.0820       123.4976 63.12756 6.500164 65.51870 4.489670 -2.391136 
7.899954 
1 1 1 15  34  13 o 27.75402 6.697106  177.0638       87.87465 229.2659       
160.2509 154.6174       105.0825 30.04043 10.40465 25.46761 8.434941 4.572823 
13.39421 
1 1 1 15  34  14 o 37.03916 6.148509  351.1308       93.91393 278.3662       
157.2446 391.4785       117.0914 32.68044 10.28733 41.39789 6.737019 -8.717453 
12.29702 
1 1 1 15  34  15 o 18.21729 5.679014  -48.70210      97.08797 -368.9361      
183.6118 75.58340       114.3871 15.19022 7.540998 21.24435 8.493417 -6.054133 
11.35803 
1 1 1 15  34  16 f 62.28202 4.891690  893.3944       116.3571 878.9541       
211.3483 899.6748       139.3825 60.76308 8.284764 63.80096 5.203577 -3.037888 
9.783381 
1 1 1 15  34  17 o 38.77225 6.498355  432.4688       111.7854 182.5379       
197.1307 550.9281       135.7154 28.37214 11.21147 49.17237 6.573988 -20.80024 
12.99671 
1 1 1 15  34  18 o 45.55998 6.070219  492.0480       109.6179 606.3658       
178.4793 422.8073       138.9030 49.48482 8.916286 41.63515 8.239542 7.849667 
12.14044 
1 1 1 15  34  19 o 47.37938 6.750644  587.4950       120.7879 506.3250       
216.9066 623.9796       145.4220 42.54345 11.75922 52.21532 6.633663 -9.671867 
13.50129 
1 1 1 15  34  20 o 26.71407 6.953749  94.95582       111.5213 343.7881       
185.8403 -45.07933      139.4136 35.31178 11.19251 18.11635 8.255075 17.19543 
13.90750 
1 1 1 15  34  21 o 31.04184 7.871793  243.6255       122.2877 306.8607       
223.8591 216.7292       145.9962 33.02755 12.20700 29.05612 9.942318 3.971430 
15.74359 
1 1 1 15  34  22 o 49.02083 7.068523  628.2371       127.9221 614.8969       
243.2934 633.3343       150.3884 45.82056 12.36139 52.22110 6.859449 -6.400547 
14.13705 
1 1 1 15  34  23 o 45.97836 6.657695  564.6898       116.4243 482.0761       
208.1726 602.2905       140.4418 40.91483 11.59085 51.04188 6.553761 -10.12705 
13.31539 
1 1 1 15  34  24 o 48.36159 7.706299  611.4536       137.8283 721.8386       
277.5635 575.3273       158.7885 47.86727 13.32734 48.85590 7.741463 
-0.9886322     15.41260 
1 1 1 15  34  25 o 23.81057 7.314983  52.60054       122.1416 201.0325       
234.0884 -2.927539      143.1767 28.39678 11.83270 19.22437 8.603670 9.172415 
14.62997 
1 1 1 15  34  26 o 34.06974 8.527314  320.8589       135.3592 483.6820       
278.9828 270.7278       154.8007 37.12270 13.63999 31.01679 10.23772 6.105906 
17.05463 
1 1 1 15  34  27 o 23.21830 6.971384  56.23251       138.4399 -281.2764      
245.6426 213.3329       167.5906 18.72343 9.183030 27.71317 10.49155 -8.989735 
13.94277 
1 1 1 15  34  28 o 23.63752 7.129942  118.7814       117.6899 31.77107       
253.0825 142.7890       132.9383 23.41800 10.84263 23.85704 9.261838 
-0.4390469     14.25988 
1 1 1 15  34  29 o 21.05038 6.828226  35.04641       118.7128 45.27750       
252.9420 32.15618       134.4390 23.01702 10.72692 19.08374 8.451741 3.933287 
13.65645 
1 1 1 15  34  30 o 26.52183 7.838420  184.1855       123.4615 396.9506       
266.0311 125.7822       139.3802 30.66058 12.68481 22.38307 9.211894 8.277508 
15.67684 
1 1 1 15  35  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  35  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  35  5  o 15.54144 5.117659  -30.82019      65.09119 -56.83846      
149.2517 -24.70929      72.33240 17.82463 8.281075 13.25826 6.015442 4.566369 
10.23532 
1 1 1 15  35  6  o 33.40929 5.929291  293.1744       78.53002 275.2235       
145.7712 300.5143       93.21246 31.42140 9.907678 35.39717 6.516432 -3.975767 
11.85858 
1 1 1 15  35  7  f 21.14584 6.017951  85.57156       78.17251 42.12119       
151.9016 101.2245       91.17235 21.03841 9.167548 21.25326 7.798652 
-0.2148438     12.03590 
1 1 1 15  35  8  o 29.17579 6.044785  248.9863       98.51878 -62.01689      
199.2361 349.6423       113.3458 20.55092 9.555413 37.80066 7.406197 -17.24974 
12.08957 
1 1 1 15  35  9  o 24.66901 6.929341  120.6728       91.77766 175.3066       
201.6172 106.3929       103.0763 27.30437 11.13164 22.03365 8.255276 5.270716 
13.85868 
1 1 1 15  35  10 o 47.54198 7.604361  620.0092       147.1950 620.7978       
224.7549 619.4169       194.7787 46.66839 11.52463 48.41558 9.924122 -1.747196 
15.20872 
1 1 1 15  35  11 o 30.91404 7.480092  218.1103       103.3057 377.3556       
212.3411 168.7309       118.2426 35.75699 11.99041 26.07109 8.946352 9.685898 
14.96018 
1 1 1 15  35  12 o 27.24248 7.096705  180.0235       99.64889 181.7788       
195.1090 179.4041       115.9060 27.72692 11.08947 26.75803 8.858698 0.9688950 
14.19341 
1 1 1 15  35  13 o 31.76924 6.793504  243.7493       88.41870 319.0033       
178.3139 219.2132       101.8176 33.87157 10.98668 29.66690 7.993731 4.204674 
13.58701 
1 1 1 15  35  14 o 20.46580 6.123796  50.88101       83.41051 44.45720       
160.7569 53.24752       97.57233 21.89211 9.483728 19.03948 7.749996 2.852633 
12.24759 
1 1 1 15  35  15 o 24.89114 6.521680  124.1905       87.13224 218.6687       
151.9337 77.88992       106.3608 29.02849 10.12364 20.75379 8.224420 8.274698 
13.04336 
1 1 1 15  35  16 o 19.16068 5.988426  -14.60125      90.01993 75.56994       
156.0620 -59.56313      110.2010 22.77176 9.584268 15.54960 7.182396 7.222161 
11.97685 
1 1 1 15  35  17 o 22.48605 6.818205  60.96565       105.8547 79.27401       
199.7030 53.81163       124.8345 24.46078 10.58302 20.51131 8.599505 3.949463 
13.63641 
1 1 1 15  35  18 o 38.15039 7.297195  323.9345       108.9087 599.9233       
219.7776 234.1037       125.3864 46.21962 11.38557 30.08116 9.130450 16.13846 
14.59439 
1 1 1 15  35  19 o 35.13305 6.840979  274.8006       110.0222 568.0499       
188.8424 124.1102       135.3705 46.29491 9.999951 23.97119 9.337931 22.32372 
13.68196 
1 1 1 15  35  20 f 36.33902 6.683427  401.0999       117.1082 132.9707       
224.0965 501.8318       137.3557 26.51113 11.33372 46.16691 7.086584 -19.65578 
13.36685 
1 1 1 15  35  21 f 35.75294 7.641009  370.6283       123.5964 318.3181       
223.4457 393.6890       148.3592 32.73804 12.17654 38.76784 9.234286 -6.029800 
15.28202 
1 1 1 15  35  22 o 27.80087 7.580781  195.5645       117.1849 192.5497       
232.0642 196.5963       135.7661 28.15310 11.75949 27.44865 9.570126 0.7044506 
15.16156 
1 1 1 15  35  23 o 34.12459 7.396333  341.3401       115.4459 278.1259       
219.4659 365.5239       135.7444 30.77436 11.90994 37.47481 8.773619 -6.700443 
14.79267 
1 1 1 15  35  24 o 23.60837 7.212492  24.57082       121.0099 265.6828       
227.1300 -70.99641      142.9946 30.01273 11.97913 17.20401 8.036208 12.80871 
14.42498 
1 1 1 15  35  25 o 20.57122 6.711541  -16.26838      122.9742 7.115661       
232.2621 -25.37711      144.9598 22.74949 10.47719 18.39295 8.390927 4.356535 
13.42308 
1 1 1 15  35  26 f 25.98601 7.661536  151.6985       124.3613 275.5260       
243.1460 107.8291       144.7235 29.35721 12.13513 22.61480 9.356022 6.742407 
15.32307 
1 1 1 15  35  27 o 24.17263 7.463980  78.25083       127.4588 313.7185       
248.2830 -6.010332      148.5235 29.68063 12.26536 18.66464 8.509101 11.01599 
14.92796 
1 1 1 15  35  28 o 20.64910 6.876155  -81.62117      125.9678 238.0327       
255.4256 -184.3512      144.8015 26.79795 11.78048 14.50026 7.095518 12.29768 
13.75231 
1 1 1 15  35  29 o 38.01524 7.680663  272.2715       126.0126 1090.050       
286.3273 75.82913       140.3339 55.63160 12.55636 20.39888 8.849192 35.23272 
15.36133 
1 1 1 15  36  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 15  36  5  o 25.86858 5.457591  182.4812       61.78547 161.3216       
117.1157 190.6415       72.73000 24.16483 8.841587 27.57233 6.400587 -3.407505 
10.91518 
1 1 1 15  36  6  o 21.84175 5.136018  123.4264       70.28186 -125.1365      
147.6930 196.1898       79.90947 15.88576 7.630978 27.79774 6.876257 -11.91198 
10.27204 
1 1 1 15  36  7  o 25.35005 6.219042  176.3719       79.25822 111.7078       
168.0316 194.8758       89.88575 23.25823 9.874421 27.44187 7.563184 -4.183641 
12.43808 
1 1 1 15  36  8  f 27.44156 5.604863  209.7874       79.87312 51.86889       
132.5054 299.9180       100.1043 20.14566 8.667018 34.73746 7.109201 -14.59181 
11.20973 
1 1 1 15  36  9  o 22.74957 6.501514  81.59843       110.3571 -107.2734      
176.1728 203.5730       141.5760 18.16848 8.605130 27.33066 9.748359 -9.162180 
13.00303 
1 1 1 15  36  10 f 29.60231 7.387393  228.8652       106.5704 317.8887       
197.6745 192.3885       126.5338 32.27533 11.51824 26.92930 9.253353 5.346037 
14.77479 
1 1 1 15  36  11 o 26.71424 7.174225  184.6569       106.7191 151.6546       
207.3165 196.5546       124.4781 26.14407 11.02713 27.28442 9.180437 -1.140356 
14.34845 
1 1 1 15  36  12 o 33.74674 6.943517  348.8455       111.7693 168.4936       
223.7265 408.8283       129.0240 27.05126 11.43471 40.44221 7.880177 -13.39095 
13.88703 
1 1 1 15  36  13 o 20.50202 6.646581  -19.10152      110.4043 46.38449       
226.3496 -39.54500      126.4686 23.89920 10.75260 17.10484 7.815987 6.794361 
13.29316 
1 1 1 15  36  14 o 45.85085 7.156201  523.8940       110.8191 653.8658       
255.7644 493.8539       122.9607 45.59253 12.82571 46.10916 6.351849 
-0.5166283     14.31240 
1 1 1 15  36  15 o 17.90060 6.026844  -83.35667      95.19574 -41.35907      
216.5599 -93.41568      105.9847 21.65866 10.02873 14.14253 6.687007 7.516130 
12.05369 
1 1 1 15  36  16 o 41.02333 6.444066  455.6762       102.8735 386.9758       
187.0071 485.4873       123.1877 36.37215 11.17293 45.67451 6.424133 -9.302361 
12.88813 
1 1 1 15  36  17 o 28.42825 6.678349  219.4724       92.87838 166.8589       
170.0652 241.8350       110.8734 26.23554 10.39879 30.62097 8.382507 -4.385431 
13.35670 
1 1 1 15  36  18 o 26.59285 6.618930  187.3534       94.33681 108.1499       
168.7737 223.3433       113.7687 23.91969 10.01228 29.26601 8.659978 -5.346317 
13.23786 
1 1 1 15  36  19 o 21.84969 6.794884  51.69735       109.9580 35.23693       
217.0111 57.38311       127.5427 23.25306 10.49147 20.44633 8.637753 2.806738 
13.58977 
1 1 1 15  36  20 o 30.49412 7.753917  229.7267       114.9816 397.7614       
224.0720 169.6645       133.9641 35.23257 12.29362 25.75567 9.453027 9.476898 
15.50783 
1 1 1 15  36  21 o 46.65194 6.598811  555.0516       114.1758 632.0580       
218.4376 526.1042       133.9272 46.27388 11.32120 47.03001 6.782893 
-0.7561302     13.19762 
1 1 1 15  36  22 o 28.02227 6.924726  222.1387       125.1248 -114.5345      
242.1793 344.7363       146.1415 20.86587 9.962120 35.17867 9.620992 -14.31280 
13.84945 
1 1 1 15  36  23 o 20.75303 6.667385  6.431118       108.1326 101.1300       
221.6290 -23.15418      123.8774 24.36703 10.81399 17.13903 7.802163 7.227991 
13.33477 
1 1 1 15  36  24 o 23.30964 7.123623  108.2055       125.7575 46.76052       
229.0835 134.7094       150.4548 22.96340 10.50400 23.65588 9.625493 
-0.6924763     14.24725 
1 1 1 15  36  25 o 28.61369 8.097087  258.0239       136.3426 318.7798       
275.6098 238.3380       156.8839 29.32045 12.55299 27.90693 10.23102 1.413517 
16.19417 
1 1 1 15  36  26 o 29.03740 8.192824  223.2640       125.0336 529.1055       
279.6134 146.8240       139.7881 34.66557 13.43760 23.40922 9.376583 11.25634 
16.38565 
1 1 1 15  36  27 o 26.26094 7.637199  215.1924       124.7895 250.6281       
264.3642 205.0329       141.5523 26.63242 11.81610 25.88946 9.679203 0.7429676 
15.27440 
1 1 1 15  37  6  o 21.75412 5.809057  107.2831       66.46963 185.4845       
126.4390 77.41693       78.13826 25.02825 9.183919 18.48000 7.115913 6.548250 
11.61811 
1 1 1 15  37  7  o 19.94758 5.964284  78.17152       78.66026 69.87499       
160.0891 80.81203       90.31438 20.79263 9.213889 19.10253 7.575948 1.690109 
11.92857 
1 1 1 15  37  8  f 50.39585 5.977285  648.8981       94.04005 743.2556       
218.1095 627.3518       104.2254 48.46558 10.97283 52.32612 4.744344 -3.860538 
11.95457 
1 1 1 15  37  9  o 18.55633 8.226338  27.93406       127.7899 27.93406       
127.7899 0.000000       0.000000 18.55633 8.226338 ?        ?        ? ? 
1 1 1 15  37  10 o 24.98280 6.368845  175.2875       85.39113 131.4693       
156.7228 193.7877       101.8342 23.32696 9.698581 26.63864 8.257497 -3.311676 
12.73769 
1 1 1 15  37  11 o 43.92600 6.803612  625.8580       119.3303 375.3385       
224.0359 725.0815       140.9952 32.56150 12.17633 55.29051 6.074000 -22.72901 
13.60722 
1 1 1 15  37  12 o 27.92944 7.354774  236.5131       119.2197 136.3161       
224.5591 275.8392       140.6836 25.04251 11.02707 30.81636 9.735218 -5.773855 
14.70955 
1 1 1 15  37  13 o 32.86390 7.731429  337.8863       123.4054 322.4735       
220.6016 344.9062       148.8794 31.10404 11.96072 34.62376 9.800055 -3.519722 
15.46286 
1 1 1 15  37  14 o 57.87363 6.969383  1014.566       125.9890 721.7501       
263.6300 1101.237       143.4278 45.96625 13.05071 69.78100 4.895729 -23.81475 
13.93877 
1 1 1 15  37  15 o 18.44935 6.219788  -88.88129      99.52818 53.31197       
224.3065 -123.7398      111.0597 23.26033 10.56466 13.63836 6.567411 9.621967 
12.43958 
1 1 1 15  37  16 o 74.61217 5.079093  1245.783       134.0525 1596.729       
288.6197 1149.252       151.3703 78.09121 8.803288 71.13314 5.068619 6.958069 
10.15819 
1 1 1 15  37  17 o 24.88480 7.416037  118.5005       111.6875 251.6521       
241.6058 82.31384       125.9531 28.73242 11.99997 21.03718 8.717289 7.695238 
14.83207 
1 1 1 15  37  18 f 35.26540 7.930023  321.2730       113.2679 569.0190       
246.7524 255.1333       127.4938 40.31578 12.90903 30.21502 9.214006 10.10077 
15.86005 
1 1 1 15  37  19 o 27.36123 6.952617  218.5444       100.5229 129.4111       
222.0328 241.5246       112.7390 24.88867 10.96207 29.83380 8.555024 -4.945133 
13.90523 
1 1 1 15  37  20 o 19.42455 5.965916  37.44403       94.87741 -231.8987      
213.0836 104.0472       105.9607 17.58222 8.604516 21.26689 8.266253 -3.684677 
11.93183 
1 1 1 15  37  21 o 34.23465 7.292701  388.8611       117.0657 278.6371       
243.8361 421.8774       133.4517 28.66971 12.01924 39.79959 8.262678 -11.12989 
14.58540 
1 1 1 15  37  22 o 21.36714 6.804585  59.00173       117.6897 47.50526       
233.6888 62.90844       136.2264 22.56840 10.43765 20.16587 8.732987 2.402529 
13.60917 
1 1 1 15  37  23 o 21.78807 6.796170  88.44231       112.3082 49.88239       
232.1847 100.2196       128.3181 22.34227 10.36018 21.23388 8.798772 1.108393 
13.59234 
1 1 1 15  37  24 o 27.37563 7.056118  251.1930       132.8996 -117.9117      
274.1343 364.5960       151.9501 20.52913 9.987000 34.22213 9.970711 -13.69299 
14.11224 
1 1 1 15  37  25 o 44.22703 7.517457  640.7194       129.7716 613.8974       
261.7729 649.4590       149.4255 37.92873 13.28257 50.52533 7.044281 -12.59659 
15.03491 
1 1 1 15  38  11 o 59.47872 4.521337  868.8961       110.0220 886.1227       
175.6564 857.7748       141.1364 58.93150 7.099660 60.02595 5.600427 -1.094448 
9.042674 
1 1 1 15  38  12 o 21.93780 6.779214  97.23364       110.0820 140.5363       
202.5667 79.08598       131.1357 23.61693 10.42774 20.25868 8.665629 3.358250 
13.55843 
1 1 1 15  38  13 o 23.23218 7.176722  129.7589       125.1938 137.8481       
233.9687 126.5136       148.1940 23.97052 10.85018 22.49384 9.396536 1.476677 
14.35344 
1 1 1 15  38  14 o 20.21077 6.634871  19.58920       117.5195 42.01269       
243.3994 12.77277       134.1981 22.22739 10.41135 18.19416 8.227386 4.033228 
13.26974 
1 1 1 15  38  15 o 25.07644 7.184848  189.6113       121.9669 85.08775       
230.6434 230.1871       143.7036 22.88694 10.49849 27.26595 9.811716 -4.379011 
14.36970 
1 1 1 15  38  16 o 29.28783 7.324279  292.5952       115.1004 188.4461       
271.1248 315.4920       127.1246 25.52968 11.60061 33.04597 8.944618 -7.516291 
14.64856 
1 1 1 15  38  17 o 24.31903 6.648045  172.2381       114.4342 -224.8118      
279.4789 252.2132       125.4307 19.50716 9.607630 29.13091 9.191271 -9.623743 
13.29609 
1 1 1 15  38  18 o 22.48787 6.886609  116.6089       116.1546 -4.924536      
253.6239 148.8657       130.6631 21.66246 10.29060 23.31327 9.154510 -1.650805 
13.77322 
1 1 1 15  38  19 o 24.56749 6.478223  165.6555       121.1941 -392.2838      
275.9485 298.9955       134.9009 17.71512 8.856004 31.41986 9.457308 -13.70474 
12.95645 
1 1 1 15  38  20 o 19.11027 6.331745  -11.54189      120.9925 -224.2079      
270.1672 41.81192       135.3214 19.12169 9.417345 19.09885 8.466263 
0.2283478E-01  12.66349 
1 1 1 15  38  21 o 20.35769 6.688044  34.64264       117.4319 -37.56085      
281.7242 49.82609       129.1904 21.60765 10.41840 19.10772 8.389085 2.499929 
13.37609 
1 1 1 15  38  22 o 31.29851 7.594131  355.4254       125.0058 276.0519       
274.0648 376.2764       140.4686 27.02950 12.00673 35.56752 9.301700 -8.538017 
15.18826 
1 1 1 16  -26 0  o 19.15445 6.136239  19.15511       108.3483 76.82673       
150.3310 -43.18605      156.2985 20.67638 9.063810 17.63252 8.274118 3.043856 
12.27248 
1 1 1 16  -25 0  o 75.19110 4.973268  1421.701       152.6649 1561.430       
203.1085 1240.239       231.4609 81.12885 5.963125 69.25334 7.960824 11.87551 
9.946536 
1 1 1 16  -25 1  o 19.80233 6.109378  19.23026       107.1996 146.8088       
139.3250 -165.8904      167.8293 23.49743 9.381056 16.10722 7.829036 7.390211 
12.21876 
1 1 1 16  -25 2  o 30.95953 7.569078  321.4167       122.8132 398.7931       
174.8857 246.1310       172.5069 34.57048 10.84246 27.34857 10.56432 7.221909 
15.13816 
1 1 1 16  -25 3  o 35.64602 7.979160  441.3959       132.7539 421.9324       
173.2956 469.0414       206.5325 35.66212 10.71592 35.62991 11.82527 
0.3221893E-01  15.95832 
1 1 1 16  -24 0  o 20.83167 6.325389  39.00589       106.2280 121.3215       
135.6439 -91.54872      170.8265 23.37059 9.279504 18.29274 8.598431 5.077850 
12.65078 
1 1 1 16  -24 1  o 62.06595 5.269088  889.5301       132.2456 750.6682       
162.5025 1161.844       227.5639 55.91590 6.922226 68.21599 7.945814 -12.30008 
10.53818 
1 1 1 16  -24 2  o 25.15427 7.075804  138.8414       115.2983 43.60419       
152.2991 266.7085       176.4711 20.62026 9.080500 29.68827 10.85415 -9.068003 
14.15161 
1 1 1 16  -24 3  o 36.03196 7.858239  408.9315       138.9416 256.1344       
188.5154 590.6393       205.5777 28.52375 11.03837 43.54016 11.18758 -15.01641 
15.71648 
1 1 1 16  -24 4  o 19.42914 6.443099  -34.13794      129.6339 -1.652855      
206.7941 -55.16776      166.3848 20.75414 9.682695 18.10415 8.502913 2.649988 
12.88620 
1 1 1 16  -24 5  o 18.90837 6.360814  -95.15083      135.5229 67.19870       
211.5062 -208.2325      176.5199 22.04002 10.08636 15.77671 7.752757 6.263312 
12.72163 
1 1 1 16  -24 6  o 28.18913 7.815507  259.2278       149.3014 71.34600       
209.7443 452.2101       212.5722 21.94231 10.04273 34.43595 11.97798 -12.49364 
15.63101 
1 1 1 16  -23 0  f 55.41476 5.036802  726.4846       113.8483 740.4554       
146.4237 705.1267       181.0419 56.87263 6.132380 53.95689 7.991959 2.915737 
10.07360 
1 1 1 16  -23 1  o 57.72826 5.527347  812.3873       129.3579 836.6102       
165.7396 774.6332       206.9163 59.95290 6.584718 55.50361 8.879624 4.449287 
11.05469 
1 1 1 16  -23 2  o 22.23348 6.780589  46.29319       119.6577 -46.29388      
170.7875 135.5607       167.6978 19.49223 8.979811 24.97472 10.16211 -5.482487 
13.56118 
1 1 1 16  -23 3  o 23.38725 7.192041  60.34611       137.0522 -52.11484      
197.6158 164.5652       190.2368 20.48849 9.522568 26.28600 10.78065 -5.797508 
14.38408 
1 1 1 16  -23 4  o 40.07244 7.909285  484.7069       138.1940 463.9877       
210.8717 500.3039       182.9588 38.32367 11.88317 41.82122 10.44114 -3.497555 
15.81857 
1 1 1 16  -23 5  o 22.00641 6.706298  75.74880       112.6269 40.69434       
153.4921 116.6370       165.7729 20.54619 9.073848 23.46663 9.877400 -2.920444 
13.41260 
1 1 1 16  -23 6  o 35.07262 7.300936  403.8100       123.3331 478.5777       
154.2439 271.2599       205.3717 41.44792 9.111015 28.69732 11.41070 12.75060 
14.60187 
1 1 1 16  -23 7  o 24.21464 6.920456  165.8221       111.1118 198.8317       
135.3285 97.53571       194.6420 25.87052 9.500473 22.55876 10.06538 3.311764 
13.84091 
1 1 1 16  -23 8  o 17.69451 6.001338  -98.83620      128.9846 -24.94586      
157.3644 -250.1086      225.1606 18.11544 8.449669 17.27357 8.524514 0.8418617 
12.00268 
1 1 1 16  -22 0  o 44.74020 6.249464  476.6515       108.4003 427.2769       
132.8587 574.9739       187.4841 42.09558 7.810324 47.38481 9.758178 -5.289227 
12.49893 
1 1 1 16  -22 1  o 57.92433 5.020436  769.9762       115.9272 747.0896       
142.7242 814.3524       198.7387 57.54469 5.907633 58.30397 8.119052 
-0.7592850     10.04087 
1 1 1 16  -22 2  o 38.51698 7.032814  339.5449       108.7027 241.5075       
128.9465 580.3380       202.0857 30.57273 9.255072 46.46123 10.59177 -15.88850 
14.06563 
1 1 1 16  -22 3  o 38.96239 6.783190  392.8129       108.6694 360.3129       
140.0388 442.0057       172.2891 37.38445 9.014123 40.54032 10.13865 -3.155869 
13.56638 
1 1 1 16  -22 4  o 34.02197 7.525765  304.9041       115.6509 244.8653       
143.5625 415.8948       195.1951 30.19868 9.859103 37.84525 11.37307 -7.646576 
15.05153 
1 1 1 16  -22 5  o 51.02663 6.181666  591.8146       122.6307 457.2413       
146.5260 906.4730       224.0553 42.33103 8.544062 59.72224 8.935938 -17.39121 
12.36333 
1 1 1 16  -22 6  o 37.16413 7.284716  362.4153       112.7339 290.1769       
137.4263 511.0415       197.1213 32.54470 9.482311 41.78357 11.06138 -9.238876 
14.56943 
1 1 1 16  -22 7  o 16.92883 5.736677  -155.9207      110.7359 -234.4299      
139.6487 -22.93681      181.7508 13.72955 6.761606 20.12811 9.269225 -6.398558 
11.47335 
1 1 1 16  -22 8  o 26.80092 7.509654  203.4645       118.1205 193.4949       
138.5759 229.9557       225.8913 26.15743 9.613015 27.44441 11.53991 -1.286978 
15.01931 
1 1 1 16  -22 9  o 21.13508 6.623407  29.80169       112.3046 -57.78089      
138.2410 199.7887       192.5910 16.58553 7.782574 25.68463 10.71959 -9.099106 
13.24681 
1 1 1 16  -22 10 o 34.01801 7.967484  423.4144       134.8522 436.5739       
159.1485 389.9127       253.9313 37.61523 9.930388 30.42079 12.46237 7.194443 
15.93497 
1 1 1 16  -21 0  o 28.85227 6.237700  168.5284       94.16959 28.98542       
124.4592 355.3934       144.0248 19.89097 8.473102 37.81358 9.156536 -17.92261 
12.47540 
1 1 1 16  -21 1  o 46.29536 6.035310  541.8366       108.8882 630.0031       
140.2312 407.9565       172.8029 52.89736 6.314395 39.69337 10.28729 13.20398 
12.07062 
1 1 1 16  -21 2  o 25.03116 6.697716  134.6054       96.35689 124.9091       
131.4574 145.8638       141.6513 24.36986 9.272561 25.69246 9.667326 -1.322607 
13.39543 
1 1 1 16  -21 3  o 35.11895 5.649478  310.7686       97.77389 536.0910       
134.5276 58.48088       142.3500 48.44975 6.613648 21.78816 9.161119 26.66159 
11.29896 
1 1 1 16  -21 4  o 27.33519 6.872505  183.3537       99.35156 174.8523       
137.2455 192.7134       144.0069 26.83589 9.595484 27.83448 9.841342 
-0.9985847     13.74501 
1 1 1 16  -21 5  o 31.21138 7.122323  257.3240       105.1069 252.9289       
135.7645 263.8991       166.0564 31.11689 9.511997 31.30587 10.60339 
-0.1889820     14.24465 
1 1 1 16  -21 6  o 48.97257 5.378552  580.8743       106.8912 641.1573       
148.4104 515.8948       154.0830 52.47910 6.735952 45.46604 8.387028 7.013062 
10.75710 
1 1 1 16  -21 7  o 23.32003 6.684341  75.58537       105.6306 -19.65401      
138.0134 210.2725       164.1255 18.45037 8.343369 28.18970 10.44557 -9.739328 
13.36868 
1 1 1 16  -21 8  o 20.90251 6.178064  42.18546       97.50540 147.6793       
137.1819 -65.52575      138.6161 24.69963 9.450618 17.10540 7.959883 7.594229 
12.35613 
1 1 1 16  -21 9  o 21.98351 6.612032  79.55201       108.1266 112.5324       
143.6974 36.50626       164.1670 22.96474 9.385881 21.00228 9.315639 1.962461 
13.22406 
1 1 1 16  -21 10 o 25.47608 7.025029  181.1895       113.8189 230.9398       
138.5699 78.01756       199.5499 28.15565 9.682610 22.79650 10.18092 5.359158 
14.05006 
1 1 1 16  -21 11 o 17.55529 5.940308  -117.5802      118.2888 -200.4195      
150.3288 17.09778       191.6779 14.56352 7.155922 20.54707 9.483766 -5.983549 
11.88062 
1 1 1 16  -21 12 o 53.46745 7.246440  827.1103       140.9221 776.7348       
164.6515 965.0774       272.4858 55.14192 7.112216 51.79297 12.62775 3.348949 
14.49288 
1 1 1 16  -20 0  o 48.13202 5.228334  538.4348       101.0825 612.1854       
138.1791 453.5341       148.2569 52.51474 6.267326 43.74929 8.370337 8.765442 
10.45667 
1 1 1 16  -20 1  o 47.15820 5.377494  518.0615       102.3096 549.3040       
136.7065 478.2845       154.2526 49.54105 6.572718 44.77535 8.512881 4.765697 
10.75499 
1 1 1 16  -20 2  o 72.17833 4.519293  1215.220       130.0606 1444.932       
172.1463 909.7028       198.5289 81.31888 5.042284 63.03778 7.501428 18.28110 
9.038587 
1 1 1 16  -20 3  o 51.88931 4.814534  608.3468       104.1616 597.6876       
139.0227 621.9883       157.2734 51.58290 6.419495 52.19570 7.176980 
-0.6127968     9.629068 
1 1 1 16  -20 4  o 28.90047 6.865143  205.3394       98.46489 215.2061       
134.6472 193.9978       144.3604 29.47544 9.545767 28.32551 9.869098 1.149923 
13.73029 
1 1 1 16  -20 5  o 29.32683 7.104118  202.2034       108.6539 119.7414       
145.9526 304.7170       162.7330 24.57018 9.666633 34.08348 10.41298 -9.513306 
14.20824 
1 1 1 16  -20 6  o 33.04480 6.431390  265.4900       97.56937 148.7684       
130.4958 413.4601       146.9292 25.43277 9.330312 40.65684 8.854174 -15.22407 
12.86278 
1 1 1 16  -20 7  o 22.42882 6.418847  76.66882       96.08736 15.63140       
131.5046 146.5817       140.7413 19.48565 8.510013 25.37198 9.611767 -5.886328 
12.83769 
1 1 1 16  -20 8  o 89.03582 4.263678  1828.856       156.8421 2016.695       
212.6575 1604.808       232.2520 94.87331 5.338974 83.19833 6.649147 11.67497 
8.527356 
1 1 1 16  -20 9  o 28.72282 6.957057  219.9518       101.4812 236.2880       
139.4608 201.5669       147.9471 29.68832 9.717240 27.75733 9.958807 1.930986 
13.91411 
1 1 1 16  -20 10 o 39.72755 6.539489  420.6945       107.1331 413.9256       
151.7838 427.4147       151.2358 39.31974 9.324042 40.13536 9.171799 
-0.8156204     13.07898 
1 1 1 16  -20 11 o 35.25311 7.103301  350.2760       109.3370 304.9818       
143.5782 412.8009       168.6916 32.81424 9.732509 37.69197 10.34919 -4.877728 
14.20660 
1 1 1 16  -20 12 o 25.26266 6.946955  175.8176       107.1168 219.1932       
150.9924 131.8701       151.9846 27.18739 10.02998 23.33792 9.614589 3.849468 
13.89391 
1 1 1 16  -20 13 o 33.05868 7.484701  379.9352       132.7529 506.9214       
174.7122 206.4665       204.1999 40.43951 10.26801 25.67785 10.89270 14.76167 
14.96940 
1 1 1 16  -19 0  o 39.06477 6.133910  345.3901       98.28899 241.9469       
127.4608 497.1372       154.3782 31.88182 9.081814 46.24771 8.247429 -14.36589 
12.26782 
1 1 1 16  -19 1  o 40.20200 5.999388  377.4457       96.62525 360.6701       
125.0009 402.3510       152.3072 39.38478 7.837860 41.01922 9.085075 -1.634434 
11.99878 
1 1 1 16  -19 2  o 18.60099 5.824918  -17.80360      89.36381 -4.089786      
116.7623 -37.19557      138.8464 18.37848 8.022720 18.82349 8.447167 
-0.4450054     11.64984 
1 1 1 16  -19 3  o 19.34816 6.003524  -5.359302      93.19863 5.254769       
122.8878 -19.72994      142.9900 19.10538 8.284369 19.59093 8.691286 
-0.4855480     12.00705 
1 1 1 16  -19 4  o 32.26746 6.652860  216.4227       100.4002 100.5272       
125.6205 421.3684       167.0500 23.32265 9.013836 41.21226 9.787387 -17.88961 
13.30572 
1 1 1 16  -19 5  o 29.18106 6.944782  178.9698       104.6408 83.40100       
135.2640 321.4088       165.1348 22.85568 9.195001 35.50644 10.41018 -12.65075 
13.88956 
1 1 1 16  -19 6  o 27.91581 6.902771  184.7680       99.92818 170.1895       
139.3039 200.2220       143.4258 27.08439 9.668887 28.74723 9.854219 -1.662836 
13.80554 
1 1 1 16  -19 7  o 37.05319 6.232875  338.8062       103.3783 496.4993       
147.8273 187.8744       144.6234 46.18939 7.623131 27.91698 9.863205 18.27241 
12.46575 
1 1 1 16  -19 8  o 38.82719 6.938474  386.6729       112.5619 354.6462       
149.7110 428.3207       170.7239 37.14565 9.548749 40.50872 10.06931 -3.363071 
13.87695 
1 1 1 16  -19 9  o 58.42004 4.882163  788.1060       119.3379 705.4598       
164.1800 880.6850       173.7663 55.01945 7.107635 61.82062 6.695041 -6.801174 
9.764325 
1 1 1 16  -19 10 o 41.10209 6.948298  445.2059       117.1384 429.4048       
153.3630 467.3322       181.4818 40.77704 9.179763 41.42713 10.43299 
-0.6500854     13.89660 
1 1 1 16  -19 11 o 26.27023 6.711507  157.1292       106.6903 15.86471       
156.2434 280.5439       146.0389 20.48694 9.087426 32.05351 9.879067 -11.56658 
13.42301 
1 1 1 16  -19 12 o 26.30159 7.130027  167.1774       116.7735 263.7663       
162.9092 65.10387       167.4707 30.37125 10.49335 22.23194 9.656025 8.139318 
14.26005 
1 1 1 16  -19 13 o 29.45811 7.591431  265.7566       123.9024 204.7234       
214.4678 296.3320       151.7975 27.13895 11.31837 31.77727 10.11997 -4.638319 
15.18286 
1 1 1 16  -19 14 o 43.66972 7.289762  642.8642       147.1996 355.1350       
232.3418 835.7912       190.2532 30.83383 12.17563 56.50560 8.019762 -25.67177 
14.57952 
1 1 1 16  -19 15 o 24.38311 6.790514  90.48114       130.9140 -230.6462      
192.0622 369.1542       178.9167 16.15489 7.956455 32.61132 11.00632 -16.45643 
13.58103 
1 1 1 16  -18 0  o 66.12172 4.033393  937.8413       110.5542 891.2330       
143.8788 1005.027       172.7440 64.26514 5.332644 67.97829 6.052765 -3.713158 
8.066787 
1 1 1 16  -18 1  o 57.56622 4.783299  739.4331       110.9357 772.4567       
140.7468 685.2660       180.2578 59.69384 5.616037 55.43859 7.744671 4.255253 
9.566599 
1 1 1 16  -18 2  o 59.16438 4.419950  720.9699       105.2075 618.0128       
128.3665 931.6407       183.6225 53.30501 5.735941 65.02374 6.726280 -11.71872 
8.839901 
1 1 1 16  -18 3  o 30.95751 6.633619  235.4517       99.90353 306.0572       
124.7869 109.4120       166.7259 36.08189 8.389113 25.83314 10.27825 10.24875 
13.26724 
1 1 1 16  -18 4  o 22.38957 6.591257  52.44595       102.1137 72.74198       
132.1236 22.33957       160.9179 22.57765 9.085775 22.20149 9.551302 0.3761578 
13.18251 
1 1 1 16  -18 5  o 27.30688 7.058324  160.5104       104.7596 164.3495       
136.7789 155.0627       162.9347 27.18689 9.593325 27.42686 10.35606 
-0.2399693     14.11665 
1 1 1 16  -18 6  o 40.64175 5.818446  405.7789       100.9217 646.4737       
143.0218 167.0732       142.4296 53.95107 6.314271 27.33243 9.774827 26.61864 
11.63689 
1 1 1 16  -18 7  o 53.84147 4.797304  668.7160       105.1121 793.8048       
143.2181 522.6666       154.7529 59.98181 5.687213 47.70113 7.727360 12.28069 
9.594607 
1 1 1 16  -18 8  o 27.69664 5.751767  147.0869       95.72034 355.4598       
129.7886 -101.4189      141.7373 38.36188 8.293569 17.03140 7.971702 21.33048 
11.50353 
1 1 1 16  -18 9  o 39.42226 6.733721  402.0818       110.0171 445.0005       
142.9440 339.7139       172.3151 42.92528 8.225215 35.91925 10.66386 7.006035 
13.46744 
1 1 1 16  -18 10 o 64.83020 4.655420  969.0578       122.7555 1005.051       
157.8024 913.8974       195.3524 67.09282 5.602202 62.56759 7.436874 4.525230 
9.310841 
1 1 1 16  -18 11 o 29.79083 7.664556  225.3492       125.1236 294.4362       
185.9634 168.2009       169.1342 32.68892 11.21926 26.89273 10.44556 5.796190 
15.32911 
1 1 1 16  -18 12 o 29.70024 7.434939  239.3150       118.2359 178.4755       
186.5520 280.1622       152.8582 27.29666 10.86854 32.10382 10.14830 -4.807159 
14.86988 
1 1 1 16  -18 13 o 33.64905 7.622273  331.2251       129.9129 207.6482       
195.5045 428.9382       173.8460 28.12959 11.14948 39.16851 10.39641 -11.03893 
15.24455 
1 1 1 16  -18 14 o 41.02777 7.320119  495.5125       127.9456 401.1411       
198.4341 562.6629       167.3866 35.86075 11.58579 46.19480 8.950203 -10.33405 
14.64024 
1 1 1 16  -18 15 o 45.99792 7.017769  664.8176       138.1289 380.4908       
215.2654 863.8244       180.0940 33.08884 11.99867 58.90699 7.282047 -25.81815 
14.03554 
1 1 1 16  -18 16 o 49.40399 7.306055  741.7552       146.4205 746.9503       
213.9351 737.1772       200.8258 48.96177 10.70230 49.84621 9.948596 
-0.8844376     14.61211 
1 1 1 16  -17 0  o 102.5123 4.168036  2291.743       175.9573 2417.614       
231.6972 2120.236       270.4573 106.1815 5.197483 98.84315 6.517382 7.338341 
8.336072 
1 1 1 16  -17 1  o 85.28448 3.919362  1610.088       133.8838 1741.414       
170.4276 1398.409       216.3726 90.32138 4.494387 80.24759 6.422311 10.07379 
7.838724 
1 1 1 16  -17 2  o 117.7803 4.480123  3021.948       212.5173 3039.088       
266.2784 2991.875       352.7126 118.8296 5.337434 116.7310 7.197070 2.098557 
8.960246 
1 1 1 16  -17 3  o 76.50558 4.088055  1273.136       127.7143 1293.184       
163.6289 1241.884       204.2968 77.56680 5.024643 75.44436 6.449941 2.122437 
8.176110 
1 1 1 16  -17 4  o 47.63385 5.330909  504.1167       106.5193 527.2742       
150.7505 481.0262       150.5317 48.78814 7.359793 46.47956 7.714130 2.308578 
10.66182 
1 1 1 16  -17 5  f 45.78068 5.821311  481.1313       107.7425 353.2469       
148.6077 622.8420       156.4352 38.52040 9.284425 53.04095 7.024963 -14.52055 
11.64262 
1 1 1 16  -17 6  o 74.48234 3.923809  1203.145       122.4130 1144.330       
166.3228 1272.661       180.8209 72.54547 5.460877 76.41920 5.635951 -3.873734 
7.847619 
1 1 1 16  -17 7  o 23.13090 6.318887  59.07866       97.61208 184.5206       
136.8014 -71.02815      139.3218 28.35662 9.624145 17.90517 8.190797 10.45145 
12.63777 
1 1 1 16  -17 8  o 25.71857 5.718067  84.96946       96.82890 313.0470       
130.3233 -196.0932      144.6713 36.05996 8.696479 15.37719 7.426736 20.68277 
11.43613 
1 1 1 16  -17 9  o 21.41040 6.385120  42.66448       98.16216 35.93658       
135.4498 50.10678       142.4598 20.94240 8.877064 21.87840 9.180239 
-0.9359989     12.77024 
1 1 1 16  -17 10 o 34.99347 7.954385  310.3186       131.0993 396.5862       
207.7126 253.1991       169.0175 38.33551 11.77507 31.65143 10.69751 6.684078 
15.90877 
1 1 1 16  -17 11 o 32.98408 7.805034  277.1166       123.3808 332.6068       
205.6941 245.9316       154.2010 34.94027 11.80124 31.02789 10.21787 3.912382 
15.61007 
1 1 1 16  -17 12 o 56.73801 6.039102  771.8336       141.1197 811.2078       
223.4414 745.7059       182.0157 57.24156 9.297652 56.23447 7.709519 1.007095 
12.07820 
1 1 1 16  -17 13 o 36.43929 7.829515  327.9406       125.0859 538.3813       
224.0719 232.6716       150.7642 43.12783 11.96358 29.75075 10.10336 13.37708 
15.65903 
1 1 1 16  -17 14 o 29.92555 7.593508  176.9855       133.5175 459.8419       
215.2969 0.2174576      170.1989 39.10439 11.98341 20.74671 9.329696 18.35768 
15.18702 
1 1 1 16  -17 15 o 39.29691 7.651374  465.8535       132.1080 381.9923       
222.8403 511.2991       164.0436 34.60611 12.24153 43.98771 9.182542 -9.381596 
15.30275 
1 1 1 16  -17 16 o 51.43380 6.900375  695.0599       139.5624 911.8772       
234.1519 575.5932       173.8099 56.91810 10.16497 45.94951 9.334567 10.96859 
13.80075 
1 1 1 16  -17 17 o 19.57647 6.556595  -51.80597      141.4879 -58.96039      
223.4719 -47.01925      182.7911 20.19604 9.624990 18.95690 8.905915 1.239134 
13.11319 
1 1 1 16  -17 18 o 32.52620 8.436769  402.8495       149.3929 450.1728       
232.6168 369.6286       194.8990 33.28715 12.41532 31.76526 11.42699 1.521891 
16.87354 
1 1 1 16  -16 0  o 73.88987 3.910747  1169.788       118.7542 1172.494       
153.2425 1165.720       187.8928 74.14815 4.922662 73.63159 6.078088 0.5165558 
7.821493 
1 1 1 16  -16 1  f 48.20430 6.492663  501.8556       131.3976 501.8556       
131.3976 0.000000       0.000000 48.20430 6.492663 ?        ?        ? ? 
1 1 1 16  -16 2  o 109.1864 4.263429  2567.053       182.7052 2565.304       
222.2628 2570.700       320.8425 109.6289 4.829065 108.7439 7.027619 0.8849869 
8.526857 
1 1 1 16  -16 3  o 28.56333 6.583024  162.7450       94.07014 85.04626       
124.3645 266.6493       143.8157 23.18772 8.967217 33.93895 9.640218 -10.75123 
13.16605 
1 1 1 16  -16 4  o 86.23343 4.249764  1617.107       152.1682 1685.320       
203.6077 1530.801       229.0243 88.51615 5.478892 83.95071 6.497978 4.565445 
8.499528 
1 1 1 16  -16 5  o 73.49506 4.108392  1181.980       123.0947 1527.255       
176.4617 854.7216       171.7964 84.36501 4.982061 62.62511 6.534111 21.73989 
8.216784 
1 1 1 16  -16 6  o 60.25614 4.382349  783.4402       110.3018 717.9979       
147.2441 867.1245       166.5064 57.44765 6.105015 63.06462 6.288778 -5.616974 
8.764698 
1 1 1 16  -16 7  o 89.53764 3.831588  1738.048       143.3385 1758.544       
194.2129 1713.525       212.4326 90.26257 5.124970 88.81271 5.697274 1.449852 
7.663175 
1 1 1 16  -16 8  o 46.55217 5.475294  494.0713       103.6850 503.1466       
139.2420 482.7760       155.3408 47.60666 6.966642 45.49768 8.448743 2.108974 
10.95059 
1 1 1 16  -16 9  o 55.96909 5.850098  696.8569       132.0422 912.0513       
209.3280 554.6465       170.1678 63.40762 7.863337 48.53055 8.663863 14.87707 
11.70020 
1 1 1 16  -16 10 o 31.84208 7.160207  251.6095       113.5951 144.6292       
176.4427 327.3416       148.4539 27.21978 10.64903 36.46438 9.574572 -9.244604 
14.32041 
1 1 1 16  -16 11 o 30.93450 7.437714  226.5004       123.9419 101.5373       
179.9036 339.3954       170.9960 25.45865 10.46967 36.41035 10.56714 -10.95170 
14.87543 
1 1 1 16  -16 12 o 37.76825 7.351404  351.3485       120.4869 493.5120       
191.6741 258.4758       154.9220 43.64388 10.55994 31.89261 10.23036 11.75127 
14.70281 
1 1 1 16  -16 13 o 32.28719 7.361340  245.0519       117.6303 414.7447       
186.5181 132.9861       151.5745 39.29123 10.92029 25.28314 9.874444 14.00809 
14.72268 
1 1 1 16  -16 14 o 28.79438 7.176672  211.6296       117.7944 66.38846       
194.2036 296.1656       148.1607 24.05189 10.42160 33.53687 9.869584 -9.484972 
14.35334 
1 1 1 16  -16 15 o 25.99099 7.413049  133.4932       126.5880 231.0104       
190.3453 56.15961       169.5062 29.47716 11.17475 22.50483 9.743623 6.972330 
14.82610 
1 1 1 16  -16 16 o 32.48016 7.767857  299.5164       123.2835 336.7161       
201.0972 277.1168       156.0470 33.46310 11.64919 31.49721 10.27885 1.965891 
15.53571 
1 1 1 16  -16 17 o 22.55658 6.913149  67.46684       117.8300 142.7729       
192.0795 22.02946       149.2013 25.16478 10.61413 19.94839 8.860403 5.216393 
13.82630 
1 1 1 16  -16 18 o 24.57003 7.189331  112.0447       136.5299 -95.70970      
196.1337 307.3555       190.1692 18.76072 8.958985 30.37935 11.24644 -11.61863 
14.37866 
1 1 1 16  -16 19 o 24.16884 7.328684  133.2738       138.4566 296.0310       
205.1565 -2.862200      187.6298 28.55673 11.38902 19.78095 9.226516 8.775780 
14.65737 
1 1 1 16  -15 0  f 52.34751 4.755104  571.4398       102.8705 473.4916       
132.7473 718.6833       162.7592 46.90311 6.741323 57.79191 6.708100 -10.88880 
9.510207 
1 1 1 16  -15 1  o 23.58724 6.548879  52.08413       95.48795 -9.652678      
121.1299 153.4277       155.1949 18.97853 8.227066 28.19595 10.19150 -9.217426 
13.09776 
1 1 1 16  -15 2  f 19.11650 8.571115  -53.97811      142.6739 0.000000       
0.000000 -53.97811      142.6739 ?        ?        19.11650 8.571115 ? ? 
1 1 1 16  -15 3  o 91.32925 3.933577  1783.307       149.3702 1771.256       
197.7477 1799.318       227.9373 91.08973 5.170864 91.56876 5.929105 
-0.4790344     7.867154 
1 1 1 16  -15 4  o 42.87351 5.942288  414.1088       102.8027 426.8429       
133.3597 395.4597       161.3871 44.33212 7.165183 41.41491 9.481735 2.917206 
11.88458 
1 1 1 16  -15 5  o 49.60715 5.398016  551.8168       107.6374 592.0775       
143.2876 499.6730       163.0681 52.30690 6.524853 46.90740 8.601197 5.399502 
10.79603 
1 1 1 16  -15 6  o 27.74448 6.193871  113.5925       102.3195 -97.97039      
144.0547 328.9990       145.3574 17.86213 8.235788 37.62683 9.253538 -19.76470 
12.38774 
1 1 1 16  -15 7  o 23.74569 6.492110  35.16026       110.0236 198.4736       
145.1659 -185.2847      168.6568 29.85433 9.914006 17.63704 8.384655 12.21729 
12.98422 
1 1 1 16  -15 8  o 41.90985 7.465645  406.7980       132.2395 560.6696       
205.4328 297.9266       172.8015 48.45621 10.39799 35.36349 10.71565 13.09272 
14.93129 
1 1 1 16  -15 9  o 27.65683 7.214149  119.2432       129.5492 -114.7940      
203.4245 278.9215       168.0287 21.18437 9.774920 34.12929 10.61257 -12.94491 
14.42830 
1 1 1 16  -15 10 o 71.93488 4.940870  1151.724       148.9306 1095.188       
213.1773 1205.625       208.1518 70.05641 7.247934 73.81334 6.716861 -3.756927 
9.881740 
1 1 1 16  -15 11 o 29.66729 7.314989  204.4191       115.4600 122.1474       
183.0061 258.8213       148.8158 26.72689 10.71897 32.60770 9.956905 -5.880810 
14.62998 
1 1 1 16  -15 12 o 37.38739 7.308942  337.0334       119.1857 465.9661       
186.9351 248.7226       154.7091 42.98877 10.44558 31.78601 10.22606 11.20275 
14.61788 
1 1 1 16  -15 13 o 70.03761 5.174726  1116.306       151.7833 1206.126       
224.2929 1040.422       206.1597 72.59159 7.359535 67.48362 7.276567 5.107971 
10.34945 
1 1 1 16  -15 14 o 62.72773 5.493869  916.6155       144.5088 961.6541       
210.7662 876.6603       198.5161 64.13074 7.828089 61.32472 7.710475 2.806019 
10.98774 
1 1 1 16  -15 15 o 23.04901 6.861936  14.95532       118.0050 199.3758       
187.7122 -105.5518      151.7380 28.70403 11.03412 17.39400 8.160444 11.31003 
13.72387 
1 1 1 16  -15 16 o 60.16830 5.664822  881.0607       140.1612 802.7800       
212.8896 940.9528       186.2137 56.85588 8.918671 63.48073 6.986999 -6.624844 
11.32964 
1 1 1 16  -15 17 o 32.88103 7.822438  314.6917       127.5905 277.2823       
219.2962 333.8357       156.8764 30.97755 11.92254 34.78450 10.12992 -3.806953 
15.64488 
1 1 1 16  -15 18 o 26.01084 6.760776  148.5674       125.1606 -207.3800      
222.4640 313.4147       151.3937 18.74367 9.080095 33.27802 10.01919 -14.53434 
13.52155 
1 1 1 16  -15 19 o 27.44328 7.962018  225.9235       144.8411 231.3121       
233.7843 222.5667       184.5210 27.57923 11.67493 27.30733 10.82917 0.2719059 
15.92404 
1 1 1 16  -15 20 o 19.63868 6.553497  -70.26364      148.0114 84.41115       
199.5121 -259.5906      220.7321 22.19794 10.03511 17.07942 8.431479 5.118523 
13.10699 
1 1 1 16  -14 0  o 185.0095 6.203949  7387.978       432.2392 7316.723       
508.9048 7572.484       818.9028 184.8420 6.557780 185.1769 10.53335 
-0.3348846     12.40790 
1 1 1 16  -14 1  o 105.5241 3.705661  2374.507       161.5414 2401.896       
211.2097 2335.902       250.7544 106.3887 4.728673 104.6595 5.706780 1.729286 
7.411322 
1 1 1 16  -14 2  o 21.14233 6.029152  -1.954341      96.74584 131.0340       
124.6514 -203.4266      153.4257 25.90511 9.156425 16.37955 7.846184 9.525560 
12.05830 
1 1 1 16  -14 3  o 91.32599 3.651340  1784.832       138.1362 1835.213       
182.7015 1717.596       211.0611 92.95338 4.681639 89.69860 5.604588 3.254784 
7.302681 
1 1 1 16  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  -14 5  o 34.73035 6.430521  285.2367       100.0752 381.4558       
132.3504 156.7788       152.9237 41.22536 7.929794 28.23534 10.12545 12.99002 
12.86104 
1 1 1 16  -14 6  o 53.87497 5.569406  675.3958       115.2173 877.3447       
157.2181 441.1049       169.3400 63.93859 5.856803 43.81134 9.474755 20.12725 
11.13881 
1 1 1 16  -14 7  o 43.99378 6.957876  444.4365       124.6820 494.2497       
189.1123 406.1350       165.8272 46.11063 10.04785 41.87693 9.627504 4.233692 
13.91575 
1 1 1 16  -14 8  f 31.49986 7.447408  214.8873       114.4988 258.4802       
178.3851 184.3440       149.3166 33.69448 10.98996 29.30524 10.05367 4.389235 
14.89482 
1 1 1 16  -14 9  o 24.12263 7.137494  27.16867       117.4042 127.6578       
198.0465 -27.28062      145.7819 28.26831 11.21628 19.97694 8.830078 8.291370 
14.27499 
1 1 1 16  -14 10 o 60.03958 5.883192  843.5368       137.4169 691.6566       
215.9198 946.9336       178.1539 54.24342 9.843967 65.83574 6.445471 -11.59232 
11.76638 
1 1 1 16  -14 11 o 37.51990 7.885617  347.6742       132.9345 322.1272       
205.7513 365.9799       174.1671 36.28534 11.80289 38.75446 10.46058 -2.469128 
15.77123 
1 1 1 16  -14 12 o 37.86789 7.277427  374.3315       124.6509 214.8256       
205.9710 466.5118       156.5802 31.23102 11.67584 44.50476 8.690145 -13.27374 
14.55485 
1 1 1 16  -14 13 o 68.11104 5.394291  1060.171       150.5807 1017.189       
236.4333 1089.503       195.3161 66.32615 8.490726 69.89594 6.655906 -3.569786 
10.78858 
1 1 1 16  -14 14 o 34.89571 7.796172  312.0548       127.8281 339.5474       
184.7228 286.7924       177.0723 36.20612 11.10094 33.58532 10.94945 2.620800 
15.59234 
1 1 1 16  -14 15 o 35.16424 7.690767  337.1575       129.0099 230.2513       
221.7776 391.8349       158.6063 30.95182 11.97376 39.37667 9.655084 -8.424849 
15.38153 
1 1 1 16  -14 16 o 30.10823 8.020027  225.9500       136.6481 237.1657       
214.5262 218.2923       177.2617 30.66176 11.79400 29.55471 10.87129 1.107058 
16.04005 
1 1 1 16  -14 17 o 47.20361 7.342599  609.6023       142.3100 489.7226       
225.0552 689.4707       183.6978 40.94066 12.19362 53.46656 8.183567 -12.52590 
14.68520 
1 1 1 16  -14 18 o 29.10193 7.898154  224.0953       141.5724 120.2336       
220.5718 296.8576       184.6188 25.93816 11.17088 32.26571 11.16847 -6.327553 
15.79631 
1 1 1 16  -14 19 o 20.19684 6.663018  -60.81420      138.7297 -50.84085      
196.6703 -70.69139      195.7200 20.43158 9.497519 19.96211 9.347747 0.4694633 
13.32604 
1 1 1 16  -14 20 o 32.41940 8.261587  349.7163       147.6845 413.0063       
199.8704 273.6087       219.1770 35.56825 11.63298 29.27054 11.73410 6.297716 
16.52317 
1 1 1 16  -14 21 o 33.08192 8.638019  423.6439       167.1772 286.9920       
238.9908 554.5793       233.9386 28.04656 11.83506 38.11728 12.58542 -10.07072 
17.27604 
1 1 1 16  -13 0  o 101.3233 3.785035  2201.452       158.4914 2331.643       
210.4441 2030.831       240.9147 104.9329 4.776897 97.71365 5.872581 7.219292 
7.570070 
1 1 1 16  -13 1  o 102.7308 4.010661  2191.989       161.5919 2103.385       
194.4944 2389.462       290.3589 99.67082 4.647936 105.7907 6.537452 -6.119904 
8.021321 
1 1 1 16  -13 2  o 59.34716 4.587986  741.2433       110.4561 710.5944       
138.0935 795.6790       184.0382 57.78873 5.691819 60.90559 7.197338 -3.116859 
9.175973 
1 1 1 16  -13 3  o 110.8668 4.290653  2666.555       189.9760 2776.606       
237.7902 2472.364       315.8721 114.3828 4.951700 107.3509 7.008529 7.031906 
8.581306 
1 1 1 16  -13 4  o 82.69584 4.080483  1447.157       140.2612 1382.579       
184.0927 1536.519       216.5565 80.58585 5.441252 84.80582 6.082283 -4.219971 
8.160967 
1 1 1 16  -13 5  o 34.03703 6.439596  229.8002       101.5124 90.47239       
131.2409 437.2946       160.1598 24.06411 9.233183 44.00995 8.978971 -19.94584 
12.87919 
1 1 1 16  -13 6  o 82.41373 6.968646  1464.028       241.1165 1464.028       
241.1165 0.000000       0.000000 82.41373 6.968646 ?        ?        ? ? 
1 1 1 16  -13 7  o 65.14365 4.970525  889.8064       133.8960 1120.032       
210.8144 734.1371       173.3506 72.01232 6.972917 58.27497 7.085401 13.73735 
9.941050 
1 1 1 16  -13 8  o 132.6733 5.865707  3821.714       324.1407 4155.875       
497.3066 3574.893       427.4023 137.4416 8.618409 127.9051 7.959214 9.536507 
11.73141 
1 1 1 16  -13 9  o 26.05875 7.212927  90.97454       114.7671 168.2663       
178.4938 36.50004       149.8487 29.49834 10.90065 22.61915 9.448863 6.879183 
14.42585 
1 1 1 16  -13 10 o 117.1526 5.162977  2956.154       251.8773 3500.776       
383.7163 2543.820       333.8779 126.5358 7.223005 107.7695 7.379263 18.76634 
10.32595 
1 1 1 16  -13 11 o 26.28978 7.212552  112.0785       118.9552 -26.15488      
204.6565 182.6076       146.1852 23.61619 10.44744 28.96338 9.946590 -5.347197 
14.42510 
1 1 1 16  -13 12 o 27.12200 7.431352  133.2879       120.4588 51.55359       
211.2649 172.6601       146.6292 25.98161 11.05259 28.26239 9.936813 -2.280779 
14.86270 
1 1 1 16  -13 13 o 40.23293 8.003739  396.1943       139.6601 468.1191       
216.4345 344.8796       182.8134 43.08278 11.67543 37.38308 10.95097 5.699696 
16.00748 
1 1 1 16  -13 14 o 35.90527 7.657656  329.9886       126.2718 254.2606       
211.6418 371.8447       157.3447 32.78198 11.89628 39.02857 9.645578 -6.246586 
15.31531 
1 1 1 16  -13 15 o 24.51468 7.310019  53.79079       134.7999 -73.96638      
209.0994 144.6454       176.3330 21.91457 10.02888 27.11480 10.63800 -5.200237 
14.62004 
1 1 1 16  -13 16 o 77.85736 5.198112  1351.410       167.3366 1631.991       
266.3199 1168.376       215.1001 84.18100 7.535474 71.53373 7.162270 12.64727 
10.39622 
1 1 1 16  -13 17 o 47.20940 7.319077  635.5054       145.6593 351.2704       
236.0094 810.3849       185.1228 35.37783 12.58962 59.04098 7.468400 -23.66314 
14.63815 
1 1 1 16  -13 18 o 26.78623 7.683756  146.3429       136.5620 207.7921       
195.5060 87.79523       190.8344 28.98173 11.23589 24.59073 10.48405 4.390993 
15.36751 
1 1 1 16  -13 19 o 34.77469 8.084123  345.1233       139.0514 438.0627       
202.5318 262.2500       191.2496 38.79876 11.56975 30.75063 11.29394 8.048130 
16.16825 
1 1 1 16  -13 20 o 23.24833 7.355738  45.29331       148.5073 -14.67444      
229.9857 88.17913       194.4906 22.56475 10.40487 23.93191 10.40030 -1.367151 
14.71148 
1 1 1 16  -13 21 o 26.76010 8.176358  183.8680       167.3690 152.7806       
225.7472 221.8137       249.4088 25.70248 11.18787 27.81773 11.92656 -2.115250 
16.35272 
1 1 1 16  -13 22 o 21.42981 7.300069  -65.56715      188.8203 20.18906       
297.9839 -123.1020      244.0762 23.10681 11.03641 19.75282 9.558325 3.353992 
14.60014 
1 1 1 16  -12 0  o 181.4287 4.690785  7025.598       354.3681 7175.130       
474.8829 6837.703       532.3264 183.7863 6.154525 179.0712 7.080654 4.715088 
9.381570 
1 1 1 16  -12 1  o 113.5730 3.736351  2816.936       170.3381 3079.467       
217.9730 2405.123       272.9995 120.7546 4.299520 106.3913 6.111908 14.36334 
7.472703 
1 1 1 16  -12 2  o 174.6452 5.743565  6560.497       390.7357 6583.055       
472.6323 6511.785       694.5049 175.8540 6.401655 173.4364 9.537974 2.417587 
11.48713 
1 1 1 16  -12 3  o 83.91563 3.967987  1447.439       133.6887 1341.965       
163.8907 1657.185       231.1157 79.60603 4.903764 88.22524 6.239613 -8.619209 
7.935973 
1 1 1 16  -12 4  o 52.81944 4.884022  585.6333       105.2583 552.5783       
132.3966 642.4165       173.5276 50.92599 6.192393 54.71288 7.554400 -3.786896 
9.768044 
1 1 1 16  -12 5  o 22.57398 6.844037  1.683801       115.9552 -11.14231      
171.1340 12.57026       157.6639 22.61967 9.791779 22.52828 9.564750 
0.9138680E-01  13.68807 
1 1 1 16  -12 6  o 106.0927 4.981719  2425.916       220.0694 2339.256       
329.5218 2495.686       295.6727 104.2059 7.532042 107.9795 6.522151 -3.773598 
9.963439 
1 1 1 16  -12 7  o 86.59747 6.008736  1602.937       218.4577 0.000000       
0.000000 1602.937       218.4577 ?        ?        86.59747 6.008736 ? ? 
1 1 1 16  -12 8  o 31.13814 7.407146  207.5871       117.6811 123.5869       
185.8212 263.8380       152.0617 28.14022 10.94489 34.13605 9.983617 -5.995834 
14.81429 
1 1 1 16  -12 9  o 130.1548 5.411403  3670.529       291.4434 3742.322       
453.5650 3620.041       380.3582 130.8750 8.254746 129.4344 6.999450 1.440598 
10.82281 
1 1 1 16  -12 10 o 32.83282 6.876615  239.8619       118.5349 19.27054       
184.1761 395.8448       154.8736 24.10979 10.28990 41.55587 9.125204 -17.44608 
13.75323 
1 1 1 16  -12 11 o 83.34505 4.757421  1493.027       165.4427 1631.340       
251.5564 1387.600       219.6239 86.63889 6.915817 80.05119 6.534808 6.587700 
9.514843 
1 1 1 16  -12 12 o 84.42158 4.954821  1552.222       174.5510 1607.624       
263.4338 1508.862       233.0533 85.60200 7.330079 83.24116 6.668655 2.360840 
9.909642 
1 1 1 16  -12 13 o 42.19643 6.966738  464.4909       131.5247 185.1788       
213.7854 634.5903       166.8340 30.81372 11.79553 53.57913 7.416686 -22.76541 
13.93348 
1 1 1 16  -12 14 o 74.49242 4.970841  1193.670       153.0679 1449.586       
243.7373 1027.011       196.6922 80.80888 7.184290 68.17596 6.871901 12.63292 
9.941683 
1 1 1 16  -12 15 o 91.17886 4.989138  1855.398       190.9312 1796.724       
268.1953 1915.694       271.8772 89.66428 7.124473 92.69343 6.986262 -3.029144 
9.978275 
1 1 1 16  -12 16 o 25.06955 7.333622  83.23669       128.9566 -18.35360      
211.4307 143.4162       162.7295 23.41759 10.46839 26.72152 10.27331 -3.303930 
14.66724 
1 1 1 16  -12 17 o 82.16772 5.748647  1575.295       197.5754 1527.192       
288.5491 1617.755       271.0945 80.57568 8.529759 83.75976 7.709149 -3.184082 
11.49729 
1 1 1 16  -12 18 o 41.61253 7.569757  450.9010       132.1010 506.7029       
202.2294 409.3682       174.4678 43.62697 11.02900 39.59808 10.37140 4.028889 
15.13951 
1 1 1 16  -12 19 o 81.57121 5.695227  1552.186       191.6695 1795.539       
307.3098 1397.251       245.2074 86.12033 8.499470 77.02209 7.582971 9.098244 
11.39045 
1 1 1 16  -12 20 o 25.64969 7.618681  121.4275       134.8961 160.2142       
221.8609 98.67837       169.9113 27.33654 11.46280 23.96284 10.03900 3.373705 
15.23736 
1 1 1 16  -12 21 o 34.48872 8.481899  377.7044       158.0969 451.3741       
201.7198 260.3932       254.5504 38.83712 11.53949 30.14031 12.43425 8.696808 
16.96380 
1 1 1 16  -12 22 o 27.75148 8.329494  213.2604       168.3059 166.1449       
226.8067 271.0007       251.0808 26.16919 11.29966 29.33377 12.24089 -3.164574 
16.65899 
1 1 1 16  -12 23 o 23.86428 7.945154  66.43879       205.2384 161.8577       
297.7273 -19.96313      283.3108 25.42818 11.76830 22.30038 10.67750 3.127794 
15.89031 
1 1 1 16  -11 0  o 119.7554 4.367919  2999.320       199.6006 2939.882       
236.1432 3148.036       373.5267 117.9650 4.768077 121.5458 7.319858 -3.580811 
8.735839 
1 1 1 16  -11 1  o 144.6284 4.675012  4479.147       261.3538 4533.313       
314.6882 4358.722       469.2224 146.4062 5.119669 142.8505 7.823804 3.555740 
9.350023 
1 1 1 16  -11 2  o 47.26685 5.534548  493.0768       103.9858 525.6631       
135.0311 445.5916       163.0028 49.73756 6.466517 44.79615 8.983820 4.941418 
11.06910 
1 1 1 16  -11 3  f 73.40543 4.084328  1113.744       120.0806 1051.369       
147.2030 1237.811       207.6058 70.50634 4.972900 76.30452 6.480525 -5.798180 
8.168656 
1 1 1 16  -11 4  o 61.60471 5.421811  806.7589       139.5323 702.3786       
190.0980 928.6816       205.4522 57.27456 7.905637 65.93487 7.421929 -8.660313 
10.84362 
1 1 1 16  -11 5  o 139.4148 5.632597  4178.581       327.6706 4081.004       
487.7066 4258.868       442.3926 137.7472 8.433290 141.0825 7.468884 -3.335358 
11.26519 
1 1 1 16  -11 6  o 67.91841 4.983779  965.1809       140.5554 1153.973       
218.6421 832.2062       183.4958 73.44901 7.090368 62.38782 7.005633 11.06120 
9.967558 
1 1 1 16  -11 7  o 34.93323 7.573273  260.5985       125.4769 366.9717       
183.4421 167.0694       172.0112 40.14994 10.68981 29.71652 10.73061 10.43342 
15.14655 
1 1 1 16  -11 8  o 131.6861 5.580678  3745.490       307.8677 4066.649       
439.3879 3435.759       431.5007 137.3576 7.619326 126.0146 8.156087 11.34301 
11.16136 
1 1 1 16  -11 9  o 25.27339 10.57654  41.18403       188.2680 41.18403       
188.2680 0.000000       0.000000 25.27339 10.57654 ?        ?        ? ? 
1 1 1 16  -11 10 o 71.97049 5.165561  1134.593       150.0642 1061.838       
243.9960 1178.857       190.3146 69.77612 8.329079 74.16487 6.112163 -4.388756 
10.33112 
1 1 1 16  -11 11 o 70.74460 5.337562  1105.250       150.7241 1026.390       
250.4026 1150.056       188.7470 68.32528 8.729280 73.16391 6.144749 -4.838631 
10.67512 
1 1 1 16  -11 12 o 31.08643 7.468603  187.5633       119.5539 311.7854       
184.6336 97.87437       156.8848 36.65123 11.07055 25.52162 10.02811 11.12962 
14.93721 
1 1 1 16  -11 13 o 87.57286 4.451064  1668.713       162.7390 1532.032       
235.7237 1793.184       224.9496 83.95775 6.687496 91.18797 5.875822 -7.230225 
8.902128 
1 1 1 16  -11 14 o 116.3528 5.440757  2988.105       264.3613 2921.734       
354.5293 3071.225       396.7499 115.1767 7.331767 117.5290 8.040681 -2.352325 
10.88151 
1 1 1 16  -11 15 o 52.39336 6.171439  629.9602       132.7630 624.3865       
192.5710 635.0092       183.2835 51.65930 9.209975 53.12742 8.217237 -1.468117 
12.34288 
1 1 1 16  -11 16 o 24.80344 7.452570  45.27857       130.8020 105.0391       
216.9323 11.14045       163.9595 27.57397 11.43404 22.03291 9.561690 5.541067 
14.90514 
1 1 1 16  -11 17 o 48.69861 7.419857  595.4608       145.6300 558.0919       
225.9594 622.0114       190.4636 46.50610 11.59898 50.89112 9.256390 -4.385021 
14.83971 
1 1 1 16  -11 18 o 61.07696 5.827394  872.2021       148.6808 801.6017       
213.6482 938.5026       207.0402 58.30297 8.728299 63.85095 7.723397 -5.547981 
11.65479 
1 1 1 16  -11 19 o 21.11912 6.717052  -28.04870      124.0853 22.62189       
187.6123 -67.44947      165.4382 22.91493 10.08476 19.32332 8.875404 3.591608 
13.43410 
1 1 1 16  -11 20 o 21.68847 6.764533  -25.26999      133.3326 -280.8217      
221.6189 119.7036       166.9213 18.35872 8.942101 25.01821 10.15256 -6.659498 
13.52907 
1 1 1 16  -11 21 o 32.02294 7.895372  278.1711       132.6931 374.8894       
196.8003 197.5493       179.6790 36.01662 11.52819 28.02926 10.79113 7.987358 
15.79074 
1 1 1 16  -11 22 o 28.60206 8.425263  123.2129       176.2457 -85.76452      
225.5263 451.0671       282.4801 21.06812 9.896192 36.13600 13.63839 -15.06787 
16.85053 
1 1 1 16  -11 23 o 37.37255 9.056064  515.5576       188.5197 322.0778       
299.4185 642.6318       242.6553 30.59818 13.09146 44.14691 12.51650 -13.54873 
18.11213 
1 1 1 16  -11 24 o 30.82943 9.390578  347.0209       186.6116 692.3344       
422.3019 263.2306       208.0239 33.85851 14.98928 27.80036 11.31606 6.058142 
18.78116 
1 1 1 16  -10 0  o 182.6968 5.865419  7244.117       407.9326 7401.999       
487.2070 6873.876       746.0881 186.8091 6.212074 178.5845 9.951016 8.224564 
11.73084 
1 1 1 16  -10 1  o 59.15730 4.818212  780.5339       112.9377 892.1909       
145.0091 608.3802       180.0573 64.94498 5.318274 53.36962 8.035958 11.57537 
9.636423 
1 1 1 16  -10 2  o 96.48894 3.867538  1955.310       145.8181 1929.668       
175.9744 2011.494       260.4856 95.62703 4.383185 97.35084 6.373312 -1.723808 
7.735077 
1 1 1 16  -10 3  o 233.4275 7.825450  11900.99       719.2653 12055.11       
881.1904 11593.33       1245.030 237.0841 8.852960 229.7709 12.90642 7.313156 
15.65090 
1 1 1 16  -10 4  o 113.6932 4.904072  2740.302       233.6449 2930.576       
343.1935 2575.928       318.9810 117.3515 6.965807 110.0349 6.904870 7.316635 
9.808145 
1 1 1 16  -10 5  o 130.3654 4.916675  3657.522       258.9476 3466.791       
422.4991 3772.275       327.7136 127.3473 7.902368 133.3835 5.852122 -6.036263 
9.833349 
1 1 1 16  -10 6  o 164.7746 6.042405  5741.936       411.2703 5372.484       
529.2331 6305.194       653.4641 158.4267 7.956825 171.1226 9.095688 -12.69591 
12.08481 
1 1 1 16  -10 7  o 42.77074 7.014791  406.9987       123.2943 471.2403       
185.5444 356.2027       164.9889 45.77580 9.933446 39.76567 9.907360 6.010132 
14.02958 
1 1 1 16  -10 8  o 132.7063 5.042221  3780.158       276.0938 3837.469       
360.4578 3698.807       429.4531 134.1711 6.399065 131.2415 7.794096 2.929626 
10.08444 
1 1 1 16  -10 9  o 108.0206 4.525760  2413.126       197.9046 2786.725       
335.8778 2214.444       244.9389 114.0364 7.015505 102.0048 5.719502 12.03162 
9.051520 
1 1 1 16  -10 10 o 160.6468 9.364557  5643.958       631.5944 0.000000       
0.000000 5643.958       631.5944 ?        ?        160.6468 9.364557 ? ? 
1 1 1 16  -10 11 o 72.47902 5.254619  1122.828       155.9368 1191.094       
252.8730 1080.940       198.0830 74.03114 8.135965 70.92690 6.652078 3.104240 
10.50924 
1 1 1 16  -10 12 o 81.91080 5.024000  1457.612       171.5188 1376.015       
253.7104 1526.295       232.7686 79.62173 7.589756 84.19985 6.584673 -4.578117 
10.04800 
1 1 1 16  -10 13 o 72.18761 5.650777  1138.961       170.9400 1158.965       
250.2946 1121.475       234.0169 72.70361 8.200051 71.67160 7.777164 1.032005 
11.30155 
1 1 1 16  -10 14 o 103.1759 5.120283  2329.783       220.1969 2258.749       
328.4985 2387.741       296.7300 101.4810 7.710270 104.8708 6.739505 -3.389771 
10.24057 
1 1 1 16  -10 15 o 51.54900 6.787694  611.0909       143.6718 548.7639       
200.4767 676.9003       206.0011 48.20509 10.21718 54.89291 8.938703 -6.687824 
13.57539 
1 1 1 16  -10 16 o 93.89258 5.412937  1964.995       212.9116 1845.819       
303.4721 2080.520       298.7874 90.87195 7.954448 96.91321 7.343454 -6.041260 
10.82587 
1 1 1 16  -10 17 o 32.94756 8.155976  239.1749       136.4288 338.9288       
223.4806 179.9136       172.2506 36.85447 12.30090 29.04064 10.71297 7.813826 
16.31195 
1 1 1 16  -10 18 o 21.87455 7.049421  -67.33733      143.3963 -105.5850      
212.8283 -35.53947      194.0554 21.56935 9.969975 22.17975 9.968798 
-0.6104012     14.09884 
1 1 1 16  -10 19 o 63.48434 6.071620  935.0458       160.8674 1080.512       
241.7359 819.4237       215.5167 67.95447 8.473138 59.01421 8.698520 8.940254 
12.14324 
1 1 1 16  -10 20 o 27.29917 7.714876  106.2387       133.7611 291.7616       
223.3692 2.513715       167.0191 33.26416 12.20666 21.33418 9.437943 11.92999 
15.42975 
1 1 1 16  -10 21 o 34.44886 7.812700  325.5035       128.6943 294.2998       
195.4515 349.3864       170.9933 32.84449 11.47965 36.05323 10.60051 -3.208736 
15.62540 
1 1 1 16  -10 22 o 27.60819 7.919586  170.0147       149.5561 254.2788       
197.1554 55.81061       229.5240 30.53368 11.42163 24.68270 10.97386 5.850983 
15.83917 
1 1 1 16  -10 23 o 39.61700 7.890080  464.8768       148.2661 655.4990       
209.9206 275.1260       209.4402 48.54478 10.59305 30.68921 11.69618 17.85556 
15.78016 
1 1 1 16  -10 24 o 34.26118 9.783586  439.0407       203.9171 550.1877       
411.6088 402.8881       234.7499 34.41347 15.04237 34.10891 12.51404 0.3045616 
19.56717 
1 1 1 16  -10 25 o 24.09289 7.852387  113.6541       184.5880 -234.4861      
438.2012 188.7555       203.5263 22.85804 11.38889 25.32774 10.81356 -2.469704 
15.70477 
1 1 1 16  -9  0  o 47.42316 5.319797  515.2973       97.06390 608.6334       
125.9048 378.5521       152.3960 53.61884 5.593016 41.22747 9.050918 12.39137 
10.63959 
1 1 1 16  -9  1  o 98.17669 3.265698  2066.029       128.5459 2146.768       
161.4078 1926.013       212.5554 100.9293 3.809152 95.42404 5.305611 5.505295 
6.531397 
1 1 1 16  -9  2  o 64.13158 3.768190  887.8181       99.31272 1002.254       
133.6716 746.8215       148.3752 68.89977 4.621067 59.36338 5.953383 9.536392 
7.536380 
1 1 1 16  -9  3  o 142.0885 4.432369  4235.114       259.1685 4518.848       
414.9774 4053.676       331.8436 145.8206 6.778393 138.3565 5.712877 7.464020 
8.864738 
1 1 1 16  -9  4  o 138.2310 4.460050  4052.864       258.3677 4032.261       
354.4943 4076.209       377.3499 137.8987 6.123082 138.5632 6.486606 
-0.6644745     8.920100 
1 1 1 16  -9  5  o 119.1615 4.093401  2988.946       204.0762 3245.822       
304.4265 2779.296       275.0229 123.7687 5.858585 114.5543 5.718454 9.214432 
8.186803 
1 1 1 16  -9  6  o 24.75376 7.109992  56.96886       115.3318 66.38014       
171.4611 49.19227       155.8603 25.55591 10.32299 23.95161 9.779769 1.604296 
14.21998 
1 1 1 16  -9  7  o 32.28740 7.255526  208.7710       121.2625 58.79327       
177.1764 340.9322       166.3200 25.57917 10.43286 38.99563 10.08594 -13.41645 
14.51105 
1 1 1 16  -9  8  o 50.12915 6.740856  583.8299       133.9933 410.4184       
206.8954 709.1129       175.8563 42.61007 11.35616 57.64823 7.265960 -15.03816 
13.48171 
1 1 1 16  -9  9  o 104.0278 4.652684  2290.507       198.0641 2374.284       
320.2989 2238.637       252.0269 105.3956 7.238594 102.6601 5.847447 2.735489 
9.305368 
1 1 1 16  -9  10 o 132.6425 6.308669  3812.526       349.4075 3769.780       
519.9908 3847.714       471.7916 131.7421 9.401396 133.5430 8.414925 -1.800934 
12.61734 
1 1 1 16  -9  11 o 82.16601 5.152176  1464.944       175.4126 1342.517       
263.1769 1562.807       235.2991 78.86582 7.948404 85.46619 6.557632 -6.600372 
10.30435 
1 1 1 16  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  -9  13 o 22.76605 7.044369  -21.31510      126.8748 -12.47931      
192.6446 -28.08328      168.6049 23.75071 10.33664 21.78140 9.573208 1.969313 
14.08874 
1 1 1 16  -9  14 o 40.69002 7.312929  394.6785       132.1033 221.5040       
194.6889 542.4412       179.8381 32.50108 11.44772 48.87895 9.103044 -16.37787 
14.62586 
1 1 1 16  -9  15 o 29.15638 7.713858  147.5028       128.4996 229.6901       
195.1846 84.63053       170.7154 32.69320 11.46751 25.61955 10.32040 7.073650 
15.42772 
1 1 1 16  -9  16 f 28.10725 7.618945  115.7081       135.8965 243.8636       
186.6995 -28.70485      198.1881 32.95956 11.24316 23.25494 10.28516 9.704628 
15.23789 
1 1 1 16  -9  17 o 129.5523 6.437091  3803.861       349.4922 3638.948       
477.1529 3994.738       513.3421 126.6732 8.972095 132.4313 9.232880 -5.758141 
12.87418 
1 1 1 16  -9  18 o 23.24187 7.031693  0.1477242E-01  130.8085 -157.6229      
198.1394 121.7988       174.1550 19.86172 9.319424 26.62201 10.53220 -6.760296 
14.06339 
1 1 1 16  -9  19 o 33.51989 7.785459  279.8893       128.8810 214.7916       
199.0561 326.8754       169.1133 30.84464 11.48871 36.19515 10.51014 -5.350515 
15.57092 
1 1 1 16  -9  20 o 28.86713 7.764691  173.0007       133.9610 264.2426       
193.3382 88.74755       185.7864 32.48284 11.41130 25.25142 10.53299 7.231419 
15.52938 
1 1 1 16  -9  21 o 57.24444 6.962720  836.8690       157.1239 689.2985       
241.4194 945.3126       206.9543 50.76721 11.57905 63.72167 7.735855 -12.95446 
13.92544 
1 1 1 16  -9  22 o 25.90506 7.192144  62.78306       126.9251 313.2628       
199.0113 -108.9611      164.7906 33.68592 11.60184 18.12421 8.503236 15.56171 
14.38429 
1 1 1 16  -9  23 o 37.34393 8.068576  400.2047       149.7164 226.4324       
212.1217 572.7022       211.3423 29.47378 11.63529 45.21408 11.18158 -15.74029 
16.13715 
1 1 1 16  -9  24 o 37.57348 10.43317  488.1742       225.6574 757.6352       
405.5677 367.3499       271.5768 41.73103 16.18210 33.41593 13.17360 8.315105 
20.86634 
1 1 1 16  -9  25 f 41.79080 9.926271  775.4744       250.1630 394.7667       
444.6957 951.7323       302.5808 31.24096 14.42943 52.34064 13.63506 -21.09968 
19.85254 
1 1 1 16  -9  26 f 29.43967 9.235305  358.5195       218.0296 518.7850       
372.7326 275.1591       268.8172 31.37087 13.96483 27.50846 12.08913 3.862411 
18.47061 
1 1 1 16  -8  0  f 166.6664 4.056305  5902.655       280.6210 6017.881       
372.1532 5750.791       427.2418 168.6778 5.255147 164.6551 6.180445 4.022751 
8.112611 
1 1 1 16  -8  1  o 73.42705 3.965506  1105.446       117.6231 1017.981       
145.1899 1272.472       200.6375 69.40125 4.982992 77.45285 6.170149 -8.051598 
7.931012 
1 1 1 16  -8  2  o 182.3404 6.693753  7081.172       497.3554 6866.373       
627.6053 7443.792       815.4476 179.1496 8.344337 185.5313 10.46888 -6.381683 
13.38751 
1 1 1 16  -8  3  o 36.57077 6.990260  280.1537       115.9075 447.0779       
174.6058 148.6461       154.9795 44.76401 9.570063 28.37754 10.19161 16.38647 
13.98052 
1 1 1 16  -8  4  o 69.03040 4.653255  1017.528       133.9059 955.7598       
197.7239 1069.860       181.9955 67.02859 7.026195 71.03220 6.102763 -4.003609 
9.306510 
1 1 1 16  -8  5  o 88.86344 4.700789  1658.517       174.3483 1498.208       
231.9391 1866.778       264.3616 83.99312 6.577357 93.73376 6.717742 -9.740646 
9.401579 
1 1 1 16  -8  6  o 38.07630 7.185214  323.0206       120.7466 215.6944       
171.4808 428.5644       170.0511 32.32141 10.77518 43.83118 9.508134 -11.50977 
14.37043 
1 1 1 16  -8  7  o 166.9623 6.115983  5979.429       427.7126 5830.289       
621.6397 6113.500       589.4011 164.8517 8.981865 169.0729 8.303438 -4.221252 
12.23197 
1 1 1 16  -8  8  o 118.7372 4.749438  3013.942       235.1007 2817.561       
346.4084 3181.639       320.1117 115.0267 7.173168 122.4477 6.226903 -7.420998 
9.498877 
1 1 1 16  -8  9  o 194.8595 6.934710  8257.892       553.2205 8493.351       
714.4035 7905.196       874.3531 199.0025 8.550787 190.7164 10.91993 8.286072 
13.86942 
1 1 1 16  -8  10 o 83.77539 4.648967  1468.422       161.1715 1642.213       
255.0387 1352.871       207.9605 87.76890 6.921281 79.78188 6.208658 7.987022 
9.297934 
1 1 1 16  -8  11 o 64.25756 5.379710  872.1210       142.9090 959.3610       
226.4914 814.4147       184.2066 66.80221 8.075735 61.71292 7.109684 5.089291 
10.75942 
1 1 1 16  -8  12 o 36.99966 8.146984  305.0368       140.1933 281.4515       
205.0093 325.7544       192.1421 35.98572 11.78158 38.01360 11.25556 -2.027882 
16.29397 
1 1 1 16  -8  13 o 137.4209 9.276157  4130.236       535.1800 0.000000       
0.000000 4130.236       535.1800 ?        ?        137.4209 9.276157 ? ? 
1 1 1 16  -8  14 o 44.89027 7.254376  453.3595       134.6775 606.5469       
203.3896 333.7468       179.7239 51.68854 9.729531 38.09200 10.76291 13.59654 
14.50875 
1 1 1 16  -8  15 o 65.32137 5.653100  923.0787       153.0733 738.7341       
207.1033 1145.041       227.2538 58.03186 8.500443 72.61089 7.454706 -14.57903 
11.30620 
1 1 1 16  -8  16 o 48.88941 7.434101  566.8737       148.4458 466.6595       
231.9918 636.3530       193.1682 44.10829 12.14789 53.67054 8.572762 -9.562252 
14.86820 
1 1 1 16  -8  17 o 26.56380 7.717641  80.12868       138.5486 50.73442       
194.2419 110.5720       197.6778 25.44224 10.69965 27.68537 11.12499 -2.243137 
15.43528 
1 1 1 16  -8  18 o 54.82359 6.070201  674.6019       139.4843 719.6411       
204.3918 635.3425       190.8272 56.51793 8.613871 53.12925 8.555151 3.388683 
12.14040 
1 1 1 16  -8  19 o 74.72656 5.097494  1243.974       159.7997 1192.240       
226.1837 1295.532       225.7986 73.07649 7.372330 76.37664 7.041770 -3.300148 
10.19499 
1 1 1 16  -8  20 o 22.78850 6.953800  23.43449       122.5314 -44.08509      
190.1277 71.40013       160.2491 21.77041 9.821463 23.80658 9.846838 -2.036175 
13.90760 
1 1 1 16  -8  21 f 46.20568 7.434857  577.2550       144.3599 373.1109       
233.9177 702.8337       183.4647 37.23707 12.58486 55.17430 7.920210 -17.93723 
14.86971 
1 1 1 16  -8  22 o 17.88418 6.010298  -155.8219      121.0241 -131.3213      
187.5697 -173.2968      158.4095 19.18643 9.016018 16.58193 7.950230 2.604492 
12.02060 
1 1 1 16  -8  23 o 26.53284 8.253326  85.82961       166.2032 72.77202       
198.4833 116.4695       304.0436 24.48507 10.57151 28.58061 12.67725 -4.095539 
16.50665 
1 1 1 16  -8  24 o 50.30152 11.13107  857.4279       252.1588 1183.172       
428.5033 684.8716       311.8758 55.81493 16.86643 44.78812 14.53020 11.02681 
22.26214 
1 1 1 16  -8  25 o 24.50820 8.180010  -103.6749      234.6061 -475.1877      
370.3028 145.4361       303.2261 21.37641 10.62533 27.64000 12.43996 -6.263592 
16.36002 
1 1 1 16  -8  26 o 27.94826 8.783006  222.3614       214.4869 60.49492       
355.5845 314.9397       268.9175 25.73359 12.20571 30.16293 12.63271 -4.429333 
17.56601 
1 1 1 16  -8  27 o 23.81527 7.866827  52.39300       208.9426 -252.6429      
319.6855 279.8706       276.0685 20.22559 10.02363 27.40495 12.12744 -7.179359 
15.73365 
1 1 1 16  -7  0  o 205.8715 4.956840  9055.087       411.1534 9172.141       
515.7953 8851.086       680.9270 208.0848 5.904160 203.6582 7.963789 4.426590 
9.913679 
1 1 1 16  -7  1  f 114.0158 4.341092  2779.379       193.6656 2822.405       
235.7251 2690.024       339.7036 115.5948 4.857228 112.4367 7.196363 3.158112 
8.682183 
1 1 1 16  -7  2  o 247.7873 8.162337  13341.98       838.6273 13383.53       
1290.516 13311.61       1103.352 247.4473 12.42229 248.1272 10.59158 
-0.6798859     16.32467 
1 1 1 16  -7  3  o 109.5317 4.309506  2543.043       197.5521 2281.723       
275.4409 2819.869       283.4948 103.6962 6.326838 115.3671 5.853076 -11.67096 
8.619012 
1 1 1 16  -7  4  o 237.7955 8.269973  12309.87       825.1709 12153.36       
1145.182 12478.87       1190.047 236.3367 11.54156 239.2543 11.84746 -2.917664 
16.53995 
1 1 1 16  -7  5  o 83.57581 4.558751  1477.116       159.6120 1358.352       
218.4385 1613.166       233.7940 79.97720 6.505551 87.17442 6.388007 -7.197227 
9.117501 
1 1 1 16  -7  6  o 103.3653 4.233559  2271.181       181.2913 2306.283       
238.8938 2223.516       278.3817 104.3953 5.450610 102.3353 6.479424 2.060013 
8.467118 
1 1 1 16  -7  7  o 90.46281 4.406438  1727.722       166.7771 1540.387       
228.1034 1942.890       244.4621 85.19656 6.377212 95.72907 6.082594 -10.53252 
8.812876 
1 1 1 16  -7  8  o 130.0890 4.738286  3634.495       252.6365 3400.610       
395.8442 3795.237       328.1624 126.3320 7.463318 133.8459 5.839890 -7.513924 
9.476573 
1 1 1 16  -7  9  o 53.95907 6.415645  610.3052       137.7108 910.1639       
216.7585 407.3572       178.3242 65.28895 7.907834 42.62918 10.10486 22.65976 
12.83129 
1 1 1 16  -7  10 o 110.4542 4.813385  2608.205       217.3467 2534.933       
346.7950 2655.603       278.9225 108.9968 7.578446 111.9116 5.936487 -2.914772 
9.626771 
1 1 1 16  -7  11 o 106.9197 5.145207  2423.539       230.0999 2621.462       
344.0719 2263.404       309.4894 110.8151 7.395566 103.0242 7.155293 7.790825 
10.29041 
1 1 1 16  -7  12 o 45.74282 7.313610  460.5006       136.3106 573.1189       
211.5455 380.5449       178.2478 50.46080 10.34162 41.02485 10.34439 9.435951 
14.62722 
1 1 1 16  -7  13 o 146.7519 5.891835  4654.289       362.4594 4790.904       
504.1429 4508.112       521.4869 149.1169 8.052818 144.3870 8.602732 4.729858 
11.78367 
1 1 1 16  -7  14 o 77.98189 5.501936  1298.545       178.3574 1582.248       
266.4934 1068.360       240.0455 85.71484 7.405450 70.24892 8.139074 15.46592 
11.00387 
1 1 1 16  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  -7  16 o 152.7596 6.034766  5082.845       361.4438 5213.886       
638.5247 5021.058       438.4519 153.0369 9.938085 152.4822 6.848948 0.5546570 
12.06953 
1 1 1 16  -7  17 o 82.96471 5.389919  1494.004       186.8683 1709.628       
275.8853 1311.217       254.0111 88.54422 7.421462 77.38519 7.818365 11.15903 
10.77984 
1 1 1 16  -7  18 o 95.67267 5.081062  1991.802       203.3669 2142.885       
303.6447 1868.902       273.8637 98.87244 7.314954 92.47289 7.054093 6.399544 
10.16212 
1 1 1 16  -7  19 o 40.43338 7.650753  368.6016       136.1188 582.2573       
215.6138 227.0229       175.5166 49.16835 10.74142 31.69840 10.89761 17.46994 
15.30151 
1 1 1 16  -7  20 o 38.66307 7.957485  336.5958       134.5777 525.9125       
229.1715 236.9473       166.2652 45.58478 11.86225 31.74135 10.61005 13.84343 
15.91497 
1 1 1 16  -7  21 o 21.71235 6.812480  -19.44758      122.0855 26.88320       
189.0163 -52.61178      159.9187 23.67915 10.27109 19.74555 8.952337 3.933601 
13.62496 
1 1 1 16  -7  22 o 46.65012 7.326577  550.3327       139.7568 541.5757       
202.6871 558.2696       192.9632 46.04363 10.68279 47.25661 10.02960 -1.212986 
14.65315 
1 1 1 16  -7  23 o 34.95660 7.941530  337.1685       140.1085 200.2095       
228.8780 419.2499       177.1868 29.83317 11.97794 40.08002 10.43075 -10.24686 
15.88306 
1 1 1 16  -7  24 f 60.01987 8.304117  926.6209       170.3475 879.3884       
192.4069 1097.901       366.3982 61.16096 7.493201 58.87877 14.82179 2.282192 
16.60823 
1 1 1 16  -7  25 o 26.83932 8.803748  31.93565       223.4202 101.6944       
392.4803 -1.506332      271.7468 29.05818 13.47259 24.62046 11.33637 4.437725 
17.60750 
1 1 1 16  -7  26 o 29.24488 9.204599  219.3596       224.8479 215.2143       
366.7119 221.8568       284.6285 29.52509 13.43618 28.96467 12.58442 0.5604248 
18.40920 
1 1 1 16  -7  27 o 26.12182 8.423689  144.8752       211.4937 -23.78038      
332.3894 259.6057       274.1489 23.93283 11.48469 28.31081 12.32623 -4.377981 
16.84738 
1 1 1 16  -7  28 o 22.05286 7.420833  13.04615       186.7195 -90.94541      
327.1674 63.27980       227.3884 21.90517 10.70652 22.20055 10.27840 
-0.2953777     14.84167 
1 1 1 16  -6  0  o 36.95099 6.163820  290.8672       91.57705 253.1943       
114.4482 357.9166       152.6833 33.79341 8.149452 40.10856 9.249711 -6.315151 
12.32764 
1 1 1 16  -6  1  o 235.7074 7.940472  11992.09       781.9217 11753.49       
1050.690 12288.25       1170.614 233.3940 10.72274 238.0207 11.71440 -4.626770 
15.88094 
1 1 1 16  -6  2  o 30.71113 7.262812  189.1400       110.5161 232.0805       
162.8957 152.5182       150.4338 33.00562 10.48057 28.41663 10.05740 4.588985 
14.52562 
1 1 1 16  -6  3  o 147.7604 5.751141  4668.060       355.5338 4774.145       
486.4629 4546.424       520.9037 149.6799 7.741182 145.8409 8.507443 3.838943 
11.50228 
1 1 1 16  -6  4  f 108.4071 4.564152  2513.175       206.0370 2220.049       
297.6766 2782.750       285.4674 102.2011 6.937613 114.6131 5.932577 -12.41195 
9.128304 
1 1 1 16  -6  5  o 115.7610 4.556727  2795.852       207.6049 2983.444       
368.8621 2708.877       251.1626 118.3464 7.423862 113.1755 5.285955 5.170906 
9.113454 
1 1 1 16  -6  6  o 23.16183 6.803383  30.81866       108.8657 43.84464       
158.5596 19.20185       149.7376 23.92382 9.832142 22.39983 9.406013 1.523991 
13.60677 
1 1 1 16  -6  7  o 36.96650 7.212573  299.0425       119.6503 411.6337       
171.8530 193.1185       166.6872 42.90294 9.758373 31.03005 10.62351 11.87289 
14.42515 
1 1 1 16  -6  8  o 129.6794 3.904548  3537.340       210.6025 3406.276       
277.2972 3715.983       323.7411 126.9181 5.204070 132.4407 5.822339 -5.522629 
7.809095 
1 1 1 16  -6  9  o 99.82634 4.766096  2102.770       198.8527 1969.248       
266.2530 2271.194       299.0332 96.29498 6.585852 103.3577 6.891244 -7.062714 
9.532192 
1 1 1 16  -6  10 o 76.32935 5.060468  1242.262       161.6235 1209.258       
236.5859 1271.143       221.3176 75.32851 7.480843 77.33020 6.816916 -2.001694 
10.12094 
1 1 1 16  -6  11 o 136.0385 6.005840  3963.565       342.8703 3814.942       
482.8236 4114.763       486.9868 133.4256 8.619269 138.6515 8.365921 -5.225922 
12.01168 
1 1 1 16  -6  12 o 36.98913 7.941141  296.1535       133.7331 349.8213       
201.7856 254.1166       178.5865 39.58131 11.47647 34.39695 10.97896 5.184361 
15.88228 
1 1 1 16  -6  13 o 89.25778 4.622355  1696.742       170.5785 1696.357       
265.1933 1697.013       222.7807 89.13725 7.086380 89.37831 5.936992 
-0.2410660     9.244710 
1 1 1 16  -6  14 o 104.2957 4.761246  2337.282       207.1754 2166.826       
302.9240 2487.079       283.9738 100.5789 7.173776 108.0126 6.262172 -7.433655 
9.522492 
1 1 1 16  -6  15 o 51.96117 6.779343  604.9158       143.6781 554.8422       
211.8476 647.5670       195.5166 49.29333 10.54356 54.62902 8.524744 -5.335686 
13.55869 
1 1 1 16  -6  16 o 80.87820 7.191489  1411.191       244.1908 0.000000       
0.000000 1411.191       244.1908 ?        ?        80.87820 7.191489 ? ? 
1 1 1 16  -6  17 o 89.42884 4.905302  1738.719       181.2144 1662.196       
278.7062 1794.763       238.5139 87.46244 7.590077 91.39524 6.216001 -3.932800 
9.810603 
1 1 1 16  -6  18 o 71.03351 5.481437  1105.586       161.9196 1091.407       
245.2706 1116.538       215.5712 70.41977 8.296062 71.64725 7.166585 -1.227486 
10.96287 
1 1 1 16  -6  19 o 62.92381 5.390791  867.9664       140.0586 889.7587       
219.6902 853.0440       181.7934 63.33385 8.262203 62.51378 6.926652 0.8200684 
10.78158 
1 1 1 16  -6  20 o 20.40871 6.585519  -137.9511      125.4590 34.18149       
199.8908 -249.8325      161.1537 24.96036 10.68851 15.85706 7.696229 9.103302 
13.17104 
1 1 1 16  -6  21 o 36.82298 8.006254  297.9258       135.5849 499.4465       
228.2993 188.1183       168.5235 44.29903 11.98498 29.34694 10.61888 14.95208 
16.01251 
1 1 1 16  -6  22 o 33.00048 7.707986  270.9746       127.2748 194.7453       
197.1620 325.4348       166.6486 29.90869 11.36290 36.09227 10.41809 -6.183578 
15.41597 
1 1 1 16  -6  23 o 58.69563 5.871849  806.8926       141.8416 791.1426       
221.1684 817.8966       184.8663 57.56934 9.150669 59.82193 7.360687 -2.252598 
11.74370 
1 1 1 16  -6  24 o 22.36489 7.028171  6.165375       132.6199 66.56306       
163.2805 -110.9223      227.3421 23.15018 9.776320 21.57960 10.09972 1.570587 
14.05634 
1 1 1 16  -6  25 o 67.39860 9.090811  1137.985       225.6641 1786.488       
445.7828 914.5417       261.6685 76.52588 14.40371 58.27132 11.09525 18.25456 
18.18162 
1 1 1 16  -6  26 o 60.72732 9.032980  1173.448       211.4832 915.6761       
377.4570 1291.393       255.3218 49.18606 15.98640 72.26857 8.415103 -23.08251 
18.06596 
1 1 1 16  -6  27 o 60.17820 9.928988  1184.757       236.4076 1342.781       
408.5609 1105.216       289.8621 59.18767 16.04186 61.16874 11.70461 -1.981071 
19.85798 
1 1 1 16  -6  28 o 54.31321 9.503684  1158.977       230.5717 928.8275       
385.3999 1287.272       287.7479 42.37354 15.94559 66.25288 10.34495 -23.87934 
19.00737 
1 1 1 16  -6  29 o 20.73520 7.164908  -47.24522      146.8565 59.05158       
380.0522 -65.90259      159.2240 24.18134 11.76228 17.28906 8.184891 6.892284 
14.32982 
1 1 1 16  -5  0  o 52.55407 4.416792  562.0216       90.99753 524.8832       
108.9206 647.8475       165.5799 49.85838 5.203467 55.24975 7.138358 -5.391373 
8.833585 
1 1 1 16  -5  1  o 51.95865 4.983421  580.4918       106.4796 529.6521       
163.8650 617.6469       140.0855 49.89864 7.822012 54.01866 6.176898 -4.120022 
9.966842 
1 1 1 16  -5  2  o 119.2077 4.803690  2953.388       226.8008 2838.357       
275.5983 3194.744       399.2065 115.8681 5.665442 122.5474 7.759158 -6.679329 
9.607381 
1 1 1 16  -5  3  o 103.5308 3.492447  2250.322       150.3238 2347.943       
231.2424 2178.875       197.8273 105.4307 5.224221 101.6309 4.636407 3.799759 
6.984895 
1 1 1 16  -5  4  o 65.64738 4.989268  918.2999       136.9330 955.8991       
187.7934 875.6127       200.0966 67.12836 6.663393 64.16640 7.427678 2.961960 
9.978537 
1 1 1 16  -5  5  o 88.08289 4.321348  1643.546       159.7918 1633.656       
224.3041 1653.737       227.6936 87.81747 6.083833 88.34830 6.138662 
-0.5308304     8.642695 
1 1 1 16  -5  6  o 127.4919 5.045283  3512.182       261.9309 3206.131       
414.3861 3715.828       338.0225 122.5661 8.052966 132.4177 6.080237 -9.851624 
10.09057 
1 1 1 16  -5  7  o 49.01343 5.468433  491.9355       107.3217 657.2975       
177.8242 397.1944       134.5992 55.52638 7.628032 42.50047 7.837612 13.02591 
10.93687 
1 1 1 16  -5  8  o 41.05077 6.482372  348.7083       106.4114 501.5917       
179.3092 265.5930       132.2095 47.55221 9.313691 34.54934 9.018856 13.00287 
12.96474 
1 1 1 16  -5  9  o 143.9822 5.148796  4443.727       304.5597 4564.056       
395.3546 4268.093       477.6457 146.6245 6.422460 141.3400 8.049373 5.284531 
10.29759 
1 1 1 16  -5  10 o 148.5574 5.801005  4725.924       355.9553 4769.313       
465.0231 4664.528       553.1666 149.6287 7.402539 147.4860 8.933591 2.142670 
11.60201 
1 1 1 16  -5  11 o 122.8620 4.891420  3214.970       250.1103 3167.956       
377.9195 3251.610       333.6259 121.9528 7.381230 123.7712 6.420389 -1.818405 
9.782840 
1 1 1 16  -5  12 o 95.69621 4.917347  1963.541       193.5988 1865.278       
301.3741 2032.580       252.6145 93.50308 7.677170 97.88935 6.146728 -4.386269 
9.834694 
1 1 1 16  -5  13 o 213.9194 8.384579  9963.728       742.8007 9752.442       
969.8823 10263.47       1155.213 211.8471 10.90480 215.9917 12.73931 -4.144623 
16.76916 
1 1 1 16  -5  14 f 109.0088 4.916122  2547.224       223.3305 2660.829       
302.4805 2411.077       331.1349 111.8160 6.443393 106.2015 7.426690 5.614456 
9.832245 
1 1 1 16  -5  15 o 46.46324 7.729059  464.1401       150.6049 718.3235       
237.0974 292.2113       194.9968 56.52081 10.37953 36.40568 11.45507 20.11512 
15.45812 
1 1 1 16  -5  16 o 156.6476 5.550499  5205.861       351.5814 5637.958       
591.0643 4969.265       437.3701 161.0716 8.740512 152.2236 6.843655 8.847931 
11.10100 
1 1 1 16  -5  17 o 113.4422 5.911334  2774.500       275.3454 2937.653       
442.6516 2671.529       351.6597 115.7516 9.108692 111.1327 7.537055 4.618904 
11.82267 
1 1 1 16  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  -5  19 o 29.00057 7.600348  115.0877       129.4033 290.3598       
202.9313 -5.021183      167.9887 35.70166 11.72172 22.29948 9.677934 13.40218 
15.20070 
1 1 1 16  -5  20 o 76.33105 4.986436  1258.020       158.4306 1400.979       
244.3033 1154.263       208.1286 79.92336 7.280760 72.73876 6.815330 7.184593 
9.972873 
1 1 1 16  -5  21 o 34.68278 7.685891  288.7444       129.6229 183.9092       
195.8437 370.4722       172.9182 30.16274 11.36363 39.20282 10.35179 -9.040075 
15.37178 
1 1 1 16  -5  22 o 23.00819 7.172338  -27.39274      139.2875 72.73953       
193.7600 -134.4742      200.3707 25.58032 10.71869 20.43606 9.533072 5.144257 
14.34468 
1 1 1 16  -5  23 o 44.76198 7.205868  541.2966       152.8405 157.5028       
233.5372 828.8425       202.1439 29.39837 11.98209 60.12559 8.007970 -30.72722 
14.41174 
1 1 1 16  -5  24 o 50.92219 7.459846  678.9954       151.1596 749.5173       
191.0912 561.0898       247.0846 56.76280 8.018587 45.08158 12.58171 11.68122 
14.91969 
1 1 1 16  -5  25 o 30.18746 8.921016  196.7438       190.8313 -7.544337      
371.1507 270.1576       222.4935 28.26994 13.10493 32.10498 12.10781 -3.835041 
17.84203 
1 1 1 16  -5  26 o 34.25860 8.568868  276.0056       208.2847 -305.1598      
335.0507 642.0584       265.9087 22.61748 11.01260 45.89972 13.13106 -23.28224 
17.13774 
1 1 1 16  -5  27 o 41.72228 10.01208  502.9019       203.3518 998.7466       
371.4738 290.7334       242.9942 52.07110 15.69776 31.37346 12.43170 20.69765 
20.02416 
1 1 1 16  -5  28 o 26.41695 8.463370  123.5007       194.9910 212.2338       
321.6342 71.93539       245.1873 28.45774 12.80978 24.37616 11.06455 4.081581 
16.92674 
1 1 1 16  -5  29 o 27.57733 8.259654  248.3986       151.4716 248.5164       
372.3499 248.3752       165.8114 27.23645 12.77900 27.91821 10.46827 
-0.6817608     16.51931 
1 1 1 16  -4  0  o 191.7469 5.491405  7897.695       416.2165 8084.263       
512.6140 7536.725       713.0314 195.5019 6.245405 187.9920 9.034215 7.509903 
10.98281 
1 1 1 16  -4  1  o 56.34611 4.763088  648.7862       108.9444 764.0273       
184.1507 586.7344       135.1284 60.01618 7.308463 52.67604 6.110188 7.340145 
9.526175 
1 1 1 16  -4  2  o 73.87561 4.351906  1154.534       134.9182 1113.440       
190.5171 1195.876       191.0904 72.54749 6.255076 75.20373 6.052303 -2.656242 
8.703812 
1 1 1 16  -4  3  o 218.2709 7.499387  10305.16       661.5499 10519.53       
835.5538 9945.023       1083.008 222.0378 8.963312 214.5039 12.02590 7.533905 
14.99877 
1 1 1 16  -4  4  o 122.2958 3.825361  3049.483       191.0031 3627.527       
318.0618 2723.449       238.8708 130.9911 5.783501 113.6004 5.008459 17.39069 
7.650722 
1 1 1 16  -4  5  o 69.70889 4.633234  1026.280       135.3528 952.1270       
185.5886 1110.540       197.8330 67.02376 6.595438 72.39403 6.509043 -5.370270 
9.266468 
1 1 1 16  -4  6  o 49.76331 6.011862  547.0870       120.4835 459.4967       
177.9988 621.1511       163.6792 45.45911 9.621620 54.06751 7.210711 -8.608398 
12.02372 
1 1 1 16  -4  7  o 118.6167 4.773593  2990.521       233.4841 2967.075       
365.4559 3006.690       303.5009 118.0961 7.370900 119.1372 6.067833 -1.041130 
9.547187 
1 1 1 16  -4  8  o 52.29006 5.774999  598.5992       122.0865 498.3929       
174.9364 693.7466       170.4633 47.46805 9.102798 57.11207 7.109255 -9.644024 
11.55000 
1 1 1 16  -4  9  o 35.54242 6.595971  255.0522       111.6043 73.83947       
150.5034 476.4282       166.3479 24.66269 9.780231 46.42214 8.852934 -21.75945 
13.19194 
1 1 1 16  -4  10 o 153.5540 5.873113  5060.652       373.5686 5155.194       
492.7364 4932.851       572.8887 155.4957 7.547747 151.6123 9.000296 3.883377 
11.74623 
1 1 1 16  -4  11 o 137.5302 4.858309  4025.452       273.2638 4002.294       
438.2153 4040.187       349.5509 137.0070 7.618437 138.0535 6.030928 -1.046494 
9.716619 
1 1 1 16  -4  12 o 188.6619 7.680139  7711.704       608.0748 7820.271       
852.0861 7599.036       868.0310 190.1141 10.67555 187.2097 11.04404 2.904327 
15.36028 
1 1 1 16  -4  13 o 74.65091 5.072619  1190.233       158.0566 1226.985       
214.3841 1146.469       233.9465 75.98138 6.720576 73.32044 7.599981 2.660934 
10.14524 
1 1 1 16  -4  14 o 60.17960 5.627244  774.3153       142.1265 772.3389       
198.3162 776.4024       203.7900 60.11442 7.857792 60.24479 8.057207 
-0.1303673     11.25449 
1 1 1 16  -4  15 o 77.52991 5.596980  1277.854       180.2554 1356.056       
278.9859 1221.813       236.1698 79.45831 8.363036 75.60150 7.440722 3.856812 
11.19396 
1 1 1 16  -4  16 o 120.9528 6.058808  3158.295       306.6855 3147.068       
417.2199 3171.492       452.3439 120.8525 8.223005 121.0530 8.900495 
-0.2005692     12.11762 
1 1 1 16  -4  17 o 99.93500 5.338925  2161.790       222.7519 2027.489       
325.8520 2279.606       305.1988 96.84460 8.014307 103.0254 7.056017 -6.180779 
10.67785 
1 1 1 16  -4  18 o 82.22783 5.414816  1461.928       186.7367 1411.183       
257.0111 1518.673       271.7783 80.74395 7.581637 83.71171 7.733028 -2.967758 
10.82963 
1 1 1 16  -4  19 o 33.32836 10.91183  246.1201       175.8576 0.000000       
0.000000 246.1201       175.8576 ?        ?        33.32836 10.91183 ? ? 
1 1 1 16  -4  20 o 36.20117 8.059956  298.7347       137.1653 358.9280       
202.7723 247.9553       186.2424 39.01125 11.56513 33.39109 11.22939 5.620155 
16.11991 
1 1 1 16  -4  21 o 45.33349 7.616702  491.1692       143.6002 578.5295       
205.4850 407.7802       200.7601 49.55003 10.22667 41.11695 11.29034 8.433071 
15.23340 
1 1 1 16  -4  22 o 74.85707 5.560816  1252.320       174.4379 1259.690       
254.7042 1245.809       239.3920 74.92726 8.096873 74.78687 7.624393 0.1403885 
11.12163 
1 1 1 16  -4  23 o 35.95997 7.931760  313.4082       143.3556 152.6934       
205.4907 465.7834       200.0881 28.77319 11.42245 43.14674 11.00813 -14.37355 
15.86352 
1 1 1 16  -4  24 o 45.30280 6.754154  528.8317       132.7027 801.5413       
183.5427 230.1356       192.0886 59.44556 7.354258 31.16004 11.33090 28.28552 
13.50831 
1 1 1 16  -4  25 o 68.57006 6.375608  1077.834       179.1565 903.5397       
225.4295 1376.655       295.1710 61.66097 8.708062 75.47915 9.314676 -13.81818 
12.75122 
1 1 1 16  -4  26 o 59.48775 9.600767  1016.263       228.9684 1146.983       
374.9884 938.5533       289.1241 60.82701 14.80331 58.14849 12.22951 2.678513 
19.20153 
1 1 1 16  -4  27 o 23.80106 7.827934  -112.2838      202.6964 -418.7227      
311.8670 111.8416       266.7123 20.47585 10.08746 27.12626 11.97286 -6.650419 
15.65587 
1 1 1 16  -4  28 o 36.12782 9.819103  429.5176       210.5729 654.4996       
331.5510 277.4113       272.6153 41.53223 14.90761 30.72341 12.78368 10.80883 
19.63821 
1 1 1 16  -4  29 o 26.77679 8.709735  106.6108       166.9222 433.0226       
419.2385 45.11687       181.9676 31.87521 14.46837 21.67838 9.700730 10.19683 
17.41947 
1 1 1 16  -4  30 f 26.42432 8.105864  228.2743       157.1846 171.5501       
369.7751 240.7846       173.6548 25.72448 12.28848 27.12415 10.57419 -1.399668 
16.21173 
1 1 1 16  -3  0  o 104.4460 4.414022  2299.450       191.6892 2350.839       
293.5215 2261.235       253.1219 105.4145 6.632243 103.4774 5.826467 1.937111 
8.828044 
1 1 1 16  -3  1  f 108.2923 4.326539  2474.455       196.5262 2335.363       
272.5633 2625.069       283.6270 105.1206 6.175906 111.4640 6.060854 -6.343452 
8.653078 
1 1 1 16  -3  2  o 69.48401 4.177242  1029.262       120.7147 914.1648       
176.1529 1131.172       165.7539 65.75151 6.381242 73.21650 5.392323 -7.464989 
8.354485 
1 1 1 16  -3  3  o 113.6892 4.342991  2727.836       207.1075 2890.801       
299.0950 2577.718       287.0639 116.9527 6.091439 110.4257 6.191982 6.527054 
8.685982 
1 1 1 16  -3  4  o 75.43436 4.744842  1209.490       147.6323 1231.409       
192.6649 1178.315       229.7691 76.32869 6.012234 74.54002 7.342148 1.788673 
9.489684 
1 1 1 16  -3  5  o 211.3544 6.403421  9539.260       558.3244 9481.647       
872.8156 9579.160       726.3798 210.4916 9.876631 212.2172 8.152754 -1.725586 
12.80684 
1 1 1 16  -3  6  o 148.1373 6.027033  4677.157       374.8378 4669.727       
530.9038 4684.543       529.3012 148.0147 8.543425 148.2598 8.503553 
-0.2451019     12.05407 
1 1 1 16  -3  7  o 100.9945 4.480733  2159.841       189.9418 2186.393       
272.2149 2134.648       265.1604 101.5927 6.382203 100.3962 6.290895 1.196457 
8.961466 
1 1 1 16  -3  8  o 155.8029 5.119710  5161.505       334.6598 5213.752       
466.1947 5105.957       480.6995 156.6569 7.088248 154.9490 7.389348 1.707916 
10.23942 
1 1 1 16  -3  9  o 55.35852 5.733822  653.9797       133.2430 660.7852       
190.3991 647.4482       186.5286 55.63590 8.151373 55.08113 8.066102 0.5547714 
11.46764 
1 1 1 16  -3  10 o 147.8961 6.083279  4670.187       377.1047 4467.562       
515.5643 4903.319       553.0163 144.4902 8.498953 151.3020 8.705913 -6.811768 
12.16656 
1 1 1 16  -3  11 o 54.82112 6.057116  660.0336       133.9345 597.2847       
201.0220 710.1247       179.6060 51.91436 9.583158 57.72788 7.410649 -5.813515 
12.11423 
1 1 1 16  -3  12 o 51.87101 6.497362  586.9661       138.4604 559.2926       
196.6114 614.1944       195.0235 50.19490 9.675036 53.54711 8.675051 -3.352203 
12.99472 
1 1 1 16  -3  13 o 70.12283 5.101671  1047.168       149.3916 910.8167       
208.2334 1191.778       214.4468 65.36539 7.587934 74.88028 6.821396 -9.514885 
10.20334 
1 1 1 16  -3  14 o 90.07925 4.405910  1695.393       165.3116 1459.511       
219.4086 2005.123       251.4190 82.93104 6.301699 97.22747 6.159283 -14.29643 
8.811820 
1 1 1 16  -3  15 o 109.3654 4.581701  2556.959       208.9499 2721.568       
285.7599 2367.825       306.3087 113.2639 6.009396 105.4669 6.917739 7.797012 
9.163403 
1 1 1 16  -3  16 o 120.5293 6.244038  3131.890       315.3609 3181.836       
435.0179 3076.568       457.8314 121.6496 8.517606 119.4091 9.132493 2.240547 
12.48808 
1 1 1 16  -3  17 o 80.15141 5.655465  1382.227       190.2298 1438.974       
271.8819 1327.803       266.2574 81.78199 7.918515 78.52084 8.076774 3.261154 
11.31093 
1 1 1 16  -3  18 o 136.8960 6.026972  4090.862       343.1710 4715.626       
485.6139 3467.623       485.0209 147.7504 7.828592 126.0417 9.165735 21.70866 
12.05394 
1 1 1 16  -3  19 o 81.45671 5.313668  1432.553       181.4345 1502.707       
265.8496 1371.389       248.2298 83.28958 7.602675 79.62385 7.425605 3.665733 
10.62734 
1 1 1 16  -3  20 f 36.04120 7.865353  262.5180       142.9759 478.9568       
214.5841 89.71612       191.7363 45.11070 11.33502 26.97169 10.90745 18.13900 
15.73071 
1 1 1 16  -3  21 o 40.66488 11.76769  394.3548       212.3587 394.3548       
212.3587 0.000000       0.000000 40.66488 11.76769 ?        ?        ? ? 
1 1 1 16  -3  22 o 60.98478 6.181008  831.3357       151.9472 1062.145       
228.1166 647.2581       203.7187 69.22431 7.849091 52.74525 9.550455 16.47906 
12.36202 
1 1 1 16  -3  23 o 44.84177 7.209124  489.5500       141.9479 715.1959       
200.3448 262.0941       201.1468 56.18871 8.492785 33.49483 11.65154 22.69389 
14.41825 
1 1 1 16  -3  24 o 26.92141 7.494632  121.4670       125.2060 63.14407       
167.3700 195.5826       188.6742 23.90657 9.986293 29.93625 11.17819 -6.029682 
14.98926 
1 1 1 16  -3  25 o 44.65360 8.419390  504.5880       150.1279 467.4133       
178.0314 596.0893       279.3099 43.26202 9.995366 46.04518 13.55128 -2.783157 
16.83878 
1 1 1 16  -3  26 o 75.37473 7.607356  1399.366       236.7241 1713.644       
379.2008 1198.675       303.0232 81.73361 11.05070 69.01583 10.45799 12.71778 
15.21471 
1 1 1 16  -3  27 o 25.37191 8.459878  -145.6748      232.6965 89.61943       
354.1636 -324.4049      308.6719 29.10231 13.23322 21.64152 10.54325 7.460791 
16.91976 
1 1 1 16  -3  28 o 42.72403 10.27618  650.4976       242.8494 376.3200       
356.9687 886.7234       331.3430 34.05122 14.42119 51.39684 14.64338 -17.34562 
20.55235 
1 1 1 16  -3  29 o 33.24877 9.188911  326.7517       160.4437 492.9690       
365.5416 287.0886       178.5632 35.26752 14.74681 31.23002 10.96704 4.037493 
18.37782 
1 1 1 16  -3  30 o 23.45430 7.782367  50.23267       165.5562 37.26800       
378.5432 53.29902       184.0964 25.27132 12.15828 21.63727 9.717885 3.634052 
15.56473 
1 1 1 16  -3  31 o 36.61398 9.268456  220.9838       156.5396 1423.162       
398.5300 1.667257       170.2207 53.97254 16.25705 19.25542 8.906486 34.71712 
18.53691 
1 1 1 16  -2  0  o 36.58985 6.571424  283.6679       109.1602 467.2517       
159.6198 122.3724       149.6169 46.18739 8.553094 26.99231 9.978931 19.19508 
13.14285 
1 1 1 16  -2  1  o 38.80924 6.827438  334.6147       111.4870 281.7545       
159.2538 385.4186       156.1257 35.85509 10.13164 41.76339 9.154538 -5.908302 
13.65488 
1 1 1 16  -2  2  o 156.4721 5.031991  5183.007       326.7117 5189.704       
430.6942 5173.930       501.4056 156.6893 6.547128 156.2550 7.643222 0.4343109 
10.06398 
1 1 1 16  -2  3  o 201.0040 5.792593  8522.943       483.2480 8240.244       
632.6525 8918.926       748.7570 197.1713 7.642626 204.8367 8.706711 -7.665421 
11.58519 
1 1 1 16  -2  4  o 146.6098 4.714239  4549.239       285.0988 4531.896       
446.3064 4561.195       370.5584 146.2689 7.267788 146.9508 6.006284 
-0.6818695     9.428477 
1 1 1 16  -2  5  f 158.6308 6.320771  5332.440       419.3842 5078.151       
564.4668 5645.772       626.5823 154.4881 8.702909 162.7736 9.168859 -8.285461 
12.64154 
1 1 1 16  -2  6  o 99.71214 4.398286  2119.811       182.5741 1884.056       
265.1241 2332.447       251.7893 94.33807 6.693962 105.0862 5.707061 -10.74816 
8.796572 
1 1 1 16  -2  7  o 58.53268 4.848227  737.8416       117.0338 815.2677       
157.2694 641.7537       175.2003 62.09224 6.032925 54.97311 7.591115 7.119133 
9.696453 
1 1 1 16  -2  8  o 96.16792 4.496742  1950.739       181.1957 2110.359       
265.7847 1812.133       247.6719 99.83139 6.341382 92.50446 6.377275 7.326935 
8.993484 
1 1 1 16  -2  9  o 128.1625 5.666198  3495.942       299.5356 3521.047       
470.1035 3478.785       388.6419 128.3739 8.722433 127.9511 7.234803 0.4228439 
11.33240 
1 1 1 16  -2  10 f 34.78101 7.684558  261.0598       124.0867 243.8879       
189.5739 273.9319       164.1328 34.23565 11.32938 35.32638 10.38532 -1.090733 
15.36912 
1 1 1 16  -2  11 o 159.3842 6.461762  5444.787       432.0727 5172.867       
600.2141 5737.256       622.4802 155.2316 9.209734 163.5367 9.066328 -8.305084 
12.92352 
1 1 1 16  -2  12 o 68.67936 5.093116  1008.707       146.1248 1103.982       
204.4072 909.1301       208.9716 72.06893 6.755682 65.28979 7.623652 6.779144 
10.18623 
1 1 1 16  -2  13 o 56.03288 6.087012  672.1302       143.1696 660.7997       
200.2131 683.9868       204.8098 55.55285 8.584348 56.51290 8.632255 
-0.9600487     12.17402 
1 1 1 16  -2  14 o 42.08421 8.083679  380.8077       151.8573 233.2366       
203.9755 564.3080       227.4552 34.08330 11.74498 50.08511 11.11031 -16.00181 
16.16736 
1 1 1 16  -2  15 o 56.38903 6.777112  694.0520       157.2533 703.0195       
221.0586 684.8652       223.7453 57.20534 9.204323 55.57272 9.949747 1.632614 
13.55422 
1 1 1 16  -2  16 o 86.43964 4.934538  1603.135       177.6267 1457.327       
260.1078 1730.553       243.1527 82.63359 7.497525 90.24570 6.417615 -7.612106 
9.869076 
1 1 1 16  -2  17 o 103.8732 5.732474  2288.133       247.8699 2527.114       
381.9348 2114.237       325.8012 108.4212 8.390656 99.32524 7.812933 9.096001 
11.46495 
1 1 1 16  -2  18 o 47.37144 7.592234  485.5612       147.8571 710.7725       
234.0634 336.0195       190.7303 56.19036 10.30644 38.55252 11.15102 17.63784 
15.18447 
1 1 1 16  -2  19 o 78.13907 5.516099  1304.789       178.5616 1410.479       
280.0728 1232.406       231.7763 80.63397 8.273207 75.64417 7.298181 4.989807 
11.03220 
1 1 1 16  -2  20 o 94.77467 5.435175  1955.117       215.1530 1739.229       
304.9542 2169.085       303.5949 89.36607 8.127988 100.1833 7.218057 -10.81721 
10.87035 
1 1 1 16  -2  21 o 47.36799 7.971028  521.3676       157.0444 654.3731       
233.4602 411.4403       212.2417 52.99760 10.86643 41.73838 11.66490 11.25923 
15.94206 
1 1 1 16  -2  22 o 49.35119 11.10321  578.9748       224.4769 0.000000       
0.000000 578.9748       224.4769 ?        ?        49.35119 11.10321 ? ? 
1 1 1 16  -2  23 o 103.9197 4.505447  2361.447       195.3280 2423.788       
264.2383 2286.342       290.0309 105.6810 5.955521 102.1584 6.762249 3.522598 
9.010895 
1 1 1 16  -2  24 o 27.50821 6.987845  61.42002       124.5507 -157.4345      
166.2831 341.1435       187.9900 17.84011 8.414071 37.17630 11.15900 -19.33620 
13.97569 
1 1 1 16  -2  25 o 21.90487 7.269283  -159.2770      157.1638 -213.0973      
192.7386 -52.47903      271.5044 18.34736 8.790098 25.46237 11.58033 -7.115005 
14.53857 
1 1 1 16  -2  26 o 31.77328 9.214377  194.6150       206.8834 13.28113       
306.4953 346.3835       280.3981 27.57185 12.45265 35.97471 13.58494 -8.402864 
18.42875 
1 1 1 16  -2  27 f 43.61506 10.36001  601.7932       224.0514 590.8867       
337.0821 610.4253       299.8831 42.72249 15.06163 44.50762 14.22909 -1.785130 
20.72003 
1 1 1 16  -2  28 o 37.69825 10.14768  432.2243       219.4422 648.1452       
355.9520 299.8495       278.7063 42.71288 15.43499 32.68362 13.17810 10.02926 
20.29535 
1 1 1 16  -2  29 o 26.01320 8.181633  100.3665       147.8299 132.9630       
355.0277 93.52952       162.5959 28.68855 13.10346 23.33784 9.800802 5.350708 
16.36327 
1 1 1 16  -2  30 o 53.99365 9.436701  377.6423       155.4224 2461.028       
526.1623 178.4797       162.6817 81.91112 15.86653 26.07618 10.22049 55.83493 
18.87340 
1 1 1 16  -2  31 o 22.12143 7.308800  -2.029539      141.0186 231.5863       
284.6940 -77.98459      162.3325 26.81554 12.06219 17.42732 8.256980 9.388218 
14.61760 
1 1 1 16  -1  0  o 58.84442 4.432638  693.1412       104.6854 457.4827       
133.5798 1068.271       168.5350 46.52087 6.839339 71.16797 5.640617 -24.64710 
8.865276 
1 1 1 16  -1  1  o 96.04043 4.142196  1942.699       166.8102 1881.583       
229.0669 2011.701       243.3951 94.44175 5.777227 97.63911 5.937575 -3.197357 
8.284391 
1 1 1 16  -1  2  o 201.9440 7.100235  8668.034       587.5185 8591.665       
751.7247 8787.907       941.7939 201.1237 8.902595 202.7642 11.06332 -1.640503 
14.20047 
1 1 1 16  -1  3  o 104.9509 4.643650  2327.072       204.6001 2299.797       
287.9373 2354.888       290.7800 104.3291 6.573758 105.5726 6.560459 -1.243568 
9.287299 
1 1 1 16  -1  4  o 85.71635 4.406700  1548.588       158.4254 1634.102       
229.9769 1471.358       218.5540 87.96429 6.227285 83.46841 6.236741 4.495888 
8.813400 
1 1 1 16  -1  5  o 174.4254 5.030590  6409.051       366.1078 6184.407       
487.7040 6699.073       554.1460 171.0028 6.793197 177.8480 7.421577 -6.845230 
10.06118 
1 1 1 16  -1  6  o 35.33072 7.278392  271.6462       114.4171 283.0011       
165.8892 261.3434       158.0179 35.98432 10.39673 34.67712 10.18862 1.307198 
14.55678 
1 1 1 16  -1  7  o 198.8405 7.373419  8477.405       612.7587 8311.121       
905.3434 8617.970       832.3893 196.8379 10.95533 200.8431 9.871671 -4.005173 
14.74684 
1 1 1 16  -1  8  o 50.69310 6.232738  540.2037       127.9551 702.4803       
199.7093 427.1993       166.6548 57.46399 8.277966 43.92221 9.320053 13.54177 
12.46548 
1 1 1 16  -1  9  o 175.2346 6.609812  6543.391       482.9083 6384.032       
642.7458 6749.939       731.7488 172.9580 8.851558 177.5112 9.818776 -4.553162 
13.21962 
1 1 1 16  -1  10 o 53.29922 6.196326  618.2858       134.8748 572.1758       
194.8481 660.7039       186.8846 50.90581 9.470666 55.69262 7.992765 -4.786808 
12.39265 
1 1 1 16  -1  11 o 23.67964 6.898253  39.80666       110.9275 57.65408       
150.6403 18.66495       163.9545 24.00494 9.684421 23.35434 9.826271 0.6506062 
13.79651 
1 1 1 16  -1  12 f 131.2717 4.381812  3649.472       240.2569 3606.766       
322.9844 3702.377       359.4885 130.4761 5.896194 132.0674 6.483517 -1.591278 
8.763623 
1 1 1 16  -1  13 o 61.50017 5.696739  827.9205       142.7634 917.3014       
187.7406 705.3716       219.8318 65.68715 6.807676 57.31318 9.136023 8.373966 
11.39348 
1 1 1 16  -1  14 o 189.2708 8.530078  7823.624       677.1354 8123.563       
951.0063 7515.201       964.3616 193.1508 11.72757 185.3909 12.39004 7.759933 
17.06016 
1 1 1 16  -1  15 o 87.67268 5.602183  1639.291       206.0958 1592.851       
285.8243 1689.587       297.4502 86.38822 7.880717 88.95714 7.964428 -2.568916 
11.20437 
1 1 1 16  -1  16 o 74.69027 5.198973  1191.656       162.2227 1052.605       
228.5775 1332.770       230.2670 70.22712 7.752642 79.15342 6.929201 -8.926300 
10.39795 
1 1 1 16  -1  17 o 69.90799 5.912381  1073.901       168.7295 894.4041       
255.9324 1211.896       224.4033 64.40614 9.464966 75.40984 7.087978 -11.00370 
11.82476 
1 1 1 16  -1  18 o 42.52812 8.022090  405.0237       145.0388 465.5667       
221.1343 359.3163       192.1399 45.17403 11.60066 39.88221 11.08334 5.291821 
16.04418 
1 1 1 16  -1  19 o 49.73182 7.385854  587.1045       153.7624 307.5506       
226.2314 827.1184       209.6227 37.54712 12.37637 61.91653 8.064043 -24.36941 
14.77171 
1 1 1 16  -1  20 o 78.93237 5.455052  1265.722       174.3078 1873.742       
286.0511 906.6082       219.8372 93.21800 7.309117 64.64674 8.099826 28.57127 
10.91010 
1 1 1 16  -1  21 o 24.84139 7.493989  3.830451       143.0640 -123.8513      
221.4857 95.24100       187.4043 22.63230 10.34245 27.05049 10.84773 -4.418198 
14.98798 
1 1 1 16  -1  22 o 73.87733 5.567847  1164.556       170.3543 1396.905       
269.0364 1009.046       220.0997 79.81121 8.029125 67.94344 7.716012 11.86777 
11.13569 
1 1 1 16  -1  23 f 56.48575 5.864025  701.3998       138.1588 651.5536       
183.1252 767.2583       210.4932 54.27152 8.037057 58.69998 8.541245 -4.428459 
11.72805 
1 1 1 16  -1  24 o 102.8461 5.939619  2299.899       256.4633 2299.899       
256.4633 0.000000       0.000000 102.8461 5.939619 ?        ?        ? ? 
1 1 1 16  -1  25 o 28.18560 7.342208  108.8051       127.6792 -56.39783      
170.3763 320.4281       192.8332 20.43239 9.253276 35.93880 11.40215 -15.50641 
14.68442 
1 1 1 16  -1  26 o 33.73592 9.464557  261.8521       197.8721 259.0555       
314.4712 263.6851       254.5876 34.11598 13.90441 33.35586 12.84441 0.7601204 
18.92911 
1 1 1 16  -1  27 o 43.63817 9.199296  568.1420       200.7609 298.8022       
316.3571 749.7461       259.7707 34.38194 13.96838 52.89440 11.97467 -18.51246 
18.39859 
1 1 1 16  -1  28 o 40.50894 9.681360  518.1390       207.0453 352.3616       
329.0777 626.7606       266.3754 34.94743 14.23022 46.07045 13.13072 -11.12302 
19.36272 
1 1 1 16  -1  29 o 36.77184 8.708853  416.1440       152.3065 310.7352       
371.0441 437.5038       167.0267 32.95463 14.34393 40.58905 9.880694 -7.634418 
17.41771 
1 1 1 16  -1  30 o 68.68806 8.382226  970.0562       168.1412 2118.387       
483.4055 812.0059       179.3393 79.29448 15.06509 58.08163 7.354578 21.21284 
16.76445 
1 1 1 16  -1  31 o 31.77323 7.982840  335.7281       141.6714 222.8077       
244.1407 393.0562       173.9552 27.65166 11.82579 35.89480 10.72630 -8.243137 
15.96568 
1 1 1 16  -1  32 o 24.02317 7.058654  152.8549       125.9027 25.97054       
194.0327 245.1284       165.4662 20.65782 9.537537 27.38851 10.40835 -6.730690 
14.11731 
1 1 1 16  0   0  o 71.55463 4.871737  1080.295       146.1614 1161.179       
210.8735 1005.507       202.7714 74.13630 6.775044 68.97296 7.002431 5.163338 
9.743473 
1 1 1 16  0   1  o 87.85663 4.443549  1643.308       162.4592 1451.322       
235.6904 1817.094       224.2409 82.88663 6.772960 92.82662 5.753914 -9.939987 
8.887098 
1 1 1 16  0   2  o 173.2253 6.394024  6391.363       463.3156 6900.112       
648.4515 5860.779       662.2200 180.3912 8.562158 166.0593 9.498612 14.33191 
12.78805 
1 1 1 16  0   3  o 103.7563 4.103188  2221.972       172.8395 2091.414       
215.5451 2457.120       289.2729 99.62987 5.153112 107.8827 6.386706 -8.252853 
8.206375 
1 1 1 16  0   4  o 86.30463 4.192017  1571.990       151.7870 1555.429       
218.1008 1587.547       211.3754 85.85461 6.050828 86.75463 5.803406 
-0.9000168     8.384034 
1 1 1 16  0   5  o 165.9023 6.328738  5818.334       437.7585 6079.038       
664.9258 5618.891       581.5797 169.0732 9.367408 162.7313 8.512543 6.341949 
12.65748 
1 1 1 16  0   6  o 46.86333 6.411206  480.1388       123.0412 570.7210       
173.3119 388.0899       174.7095 51.88612 7.956063 41.84055 10.05561 10.04557 
12.82241 
1 1 1 16  0   7  o 64.22634 4.258801  850.0364       113.0111 1098.853       
174.3484 669.7462       148.4103 72.15246 5.755563 56.30022 6.278776 15.85223 
8.517601 
1 1 1 16  0   8  o 239.2891 8.552234  12319.38       854.1568 12201.01       
1145.617 12467.55       1281.731 238.3123 11.45023 240.2659 12.70650 -1.953568 
17.10447 
1 1 1 16  0   9  f 84.62782 5.094891  1506.429       178.7388 1592.214       
278.7359 1446.520       232.9348 86.60243 7.666265 82.65321 6.712677 3.949219 
10.18978 
1 1 1 16  0   10 o 136.6271 5.982568  3983.502       342.4406 3869.456       
496.2307 4087.191       473.1607 134.6803 8.776083 138.5740 8.132947 -3.893753 
11.96514 
1 1 1 16  0   11 o 117.2840 5.423135  2933.356       263.4219 2884.747       
405.3628 2968.888       346.5763 116.3062 8.301606 118.2617 6.980324 -1.955544 
10.84627 
1 1 1 16  0   12 o 72.61906 4.929346  1112.033       149.7175 1011.711       
201.8114 1234.832       223.2771 69.00459 6.966086 76.23353 6.976206 -7.228943 
9.858692 
1 1 1 16  0   13 o 148.0259 6.358324  4648.269       375.0457 4539.518       
460.4459 4862.657       646.4910 145.9550 7.514166 150.0968 10.25916 -4.141876 
12.71665 
1 1 1 16  0   14 o 141.0677 5.818151  4161.518       319.4953 4011.544       
382.5214 4507.518       581.0134 137.4100 6.630685 144.7255 9.562299 -7.315445 
11.63630 
1 1 1 16  0   15 o 58.65613 6.428295  758.6019       148.6498 708.2474       
239.4447 790.1786       189.6138 56.40996 10.50228 60.90229 7.415789 -4.492332 
12.85659 
1 1 1 16  0   16 o 184.8585 7.628385  7339.895       582.9650 7737.551       
917.0112 7070.182       755.2168 188.5960 11.58146 181.1209 9.931711 7.475082 
15.25677 
1 1 1 16  0   17 o 64.49391 5.452337  878.3538       145.1628 676.4486       
195.3661 1127.223       216.9009 56.22508 8.276377 72.76273 7.100247 -16.53765 
10.90467 
1 1 1 16  0   18 o 113.2964 5.306920  2698.800       250.3786 3118.114       
384.5332 2390.187       329.8918 120.7953 7.582370 105.7975 7.427063 14.99775 
10.61384 
1 1 1 16  0   19 o 32.12756 8.328924  175.4960       147.4604 271.9391       
227.7258 105.8580       193.5085 36.15466 12.41465 28.10047 11.10677 8.054190 
16.65785 
1 1 1 16  0   20 o 29.29273 7.924949  116.5016       146.4380 -44.65866      
221.2207 242.1969       195.3693 24.71163 10.90598 33.87383 11.50125 -9.162205 
15.84990 
1 1 1 16  0   21 o 80.18547 4.834534  1384.159       162.6357 1402.970       
226.7469 1364.229       233.4007 80.78990 6.685061 79.58104 6.985759 1.208862 
9.669067 
1 1 1 16  0   22 o 79.67749 5.229600  1358.725       173.6956 1584.415       
263.8058 1186.008       230.7792 85.45144 7.353364 73.90354 7.437936 11.54790 
10.45920 
1 1 1 16  0   23 o 128.7495 5.051455  3628.304       271.4361 3851.219       
372.5799 3376.167       396.2498 133.2914 6.657918 124.2077 7.598743 9.083702 
10.10291 
1 1 1 16  0   24 o 59.34447 6.042298  807.0439       142.9254 993.9694       
201.2515 616.8298       203.0140 67.29866 7.122849 51.39027 9.762300 15.90839 
12.08460 
1 1 1 16  0   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  0   26 o 61.88809 7.805939  881.0693       191.8873 730.6435       
235.2606 1180.030       331.6617 54.46659 10.66863 69.30960 11.39785 -14.84301 
15.61188 
1 1 1 16  0   27 o 41.33904 10.19558  429.0721       205.2659 727.6810       
373.2628 299.6197       245.7641 48.34576 15.89733 34.33232 12.77005 14.01344 
20.39116 
1 1 1 16  0   28 o 48.73147 9.488791  741.5863       211.2749 507.6020       
358.1557 866.4616       261.6477 40.02242 15.28284 57.44051 11.25093 -17.41809 
18.97758 
1 1 1 16  0   29 o 27.64270 8.586267  123.4140       149.4251 96.21451       
412.4524 127.5232       160.3157 30.20010 13.92877 25.08529 10.04416 5.114813 
17.17253 
1 1 1 16  0   30 o 27.81283 8.589728  126.2587       146.7852 308.1809       
363.7480 90.87196       160.4273 32.37080 14.14523 23.25486 9.749161 9.115946 
17.17946 
1 1 1 16  0   31 o 25.47131 7.208726  135.8129       135.7374 -125.7231      
232.3157 271.3757       167.2565 20.40555 9.745872 30.53707 10.62454 -10.13153 
14.41745 
1 1 1 16  0   32 o 24.25535 6.965532  115.0909       134.4983 -179.1450      
218.7094 294.0403       170.5629 18.31328 8.912627 30.19742 10.70699 -11.88414 
13.93106 
1 1 1 16  1   0  o 84.25029 4.675050  1485.613       164.0737 1400.703       
216.5469 1600.062       251.4060 81.46880 6.331138 87.03177 6.880484 -5.562965 
9.350100 
1 1 1 16  1   1  o 26.89877 7.064427  115.6091       106.8669 148.4655       
156.8067 87.11256       146.0330 28.65011 10.25529 25.14743 9.718722 3.502678 
14.12885 
1 1 1 16  1   2  o 78.51810 4.570890  1291.565       150.0634 1411.655       
224.9432 1195.259       201.4400 81.77678 6.551849 75.25941 6.375377 6.517365 
9.141781 
1 1 1 16  1   3  o 124.6598 4.421152  3285.430       229.0414 3231.224       
348.0995 3326.813       304.1563 123.7038 6.702569 125.6158 5.767314 -1.911995 
8.842304 
1 1 1 16  1   4  o 173.5647 4.890043  6364.202       356.2143 6580.715       
505.8319 6151.194       501.7195 176.5074 6.825971 170.6220 7.004014 5.885406 
9.780087 
1 1 1 16  1   5  o 55.95345 5.304332  663.3559       124.3552 641.7506       
179.8026 683.1671       172.1750 55.06254 7.777874 56.84435 7.214459 -1.781815 
10.60866 
1 1 1 16  1   6  o 64.77648 4.647843  864.5849       121.1808 961.5466       
207.2699 814.2290       149.3692 67.41974 7.322683 62.13323 5.726089 5.286510 
9.295687 
1 1 1 16  1   7  o 48.50417 6.307322  500.4813       123.9072 694.3069       
187.4493 350.0685       165.1279 57.24618 7.799349 39.76215 9.914604 17.48402 
12.61464 
1 1 1 16  1   8  o 109.6520 4.158855  2535.003       191.3020 2460.800       
264.1384 2616.864       277.4348 107.9722 5.826942 111.3318 5.935575 -3.359612 
8.317710 
1 1 1 16  1   9  o 236.8666 8.351806  12067.17       798.7562 12063.09       
1001.934 12074.28       1323.110 237.6036 10.04401 236.1295 13.34648 1.474091 
16.70361 
1 1 1 16  1   10 o 169.1989 6.463295  6108.568       453.2597 6120.686       
595.9577 6091.941       698.1052 169.6148 8.368983 168.7831 9.851745 0.8317566 
12.92659 
1 1 1 16  1   11 o 305.0921 11.84801  20222.37       1295.134 19781.38       
1482.217 21645.96       2663.136 302.6397 11.66559 307.5445 20.62559 -4.904755 
23.69602 
1 1 1 16  1   12 o 59.25002 5.392386  740.8542       132.6819 600.9742       
179.7100 908.4726       196.7231 53.10499 8.060428 65.39504 7.165252 -12.29005 
10.78477 
1 1 1 16  1   13 o 121.5054 5.295026  3180.533       252.0665 3251.438       
307.8170 3036.203       439.1718 123.9058 5.917281 119.1049 8.782654 4.800827 
10.59005 
1 1 1 16  1   14 o 104.7113 5.402752  2318.079       235.3048 2479.745       
362.7209 2200.607       309.1942 107.7543 8.017870 101.6683 7.243804 6.085991 
10.80550 
1 1 1 16  1   15 o 136.9189 5.530225  3997.577       317.5533 3745.363       
442.2905 4265.914       456.2093 132.4267 7.955236 141.4111 7.684254 -8.984390 
11.06045 
1 1 1 16  1   16 o 189.6900 7.115981  7742.377       558.8508 7656.657       
730.6033 7863.259       867.6068 188.8342 9.215567 190.5459 10.84537 -1.711685 
14.23196 
1 1 1 16  1   17 o 54.99592 7.225946  715.8931       158.0860 351.7133       
229.8438 1042.843       217.7785 40.03127 12.40492 69.96056 7.414517 -29.92929 
14.45189 
1 1 1 16  1   18 o 91.48125 5.294920  1783.867       202.9170 1806.781       
297.7584 1763.997       277.2716 91.98528 7.710220 90.97721 7.259285 1.008072 
10.58984 
1 1 1 16  1   19 o 144.4416 4.662774  4418.220       281.7970 4157.705       
379.8422 4737.123       420.2580 139.7693 6.473101 149.1139 6.713033 -9.344620 
9.325548 
1 1 1 16  1   20 f 71.60736 5.588013  1098.100       166.6255 1142.654       
254.3066 1064.583       220.5669 72.77904 8.322856 70.43569 7.458794 2.343346 
11.17603 
1 1 1 16  1   21 o 32.20765 8.333279  197.8822       148.2117 145.6185       
223.4361 238.9473       198.0571 30.69488 11.98865 33.72042 11.57784 -3.025537 
16.66656 
1 1 1 16  1   22 o 36.56063 7.682482  241.4703       146.2118 548.5865       
224.0301 13.59370       192.9767 48.55776 11.20835 24.56350 10.50976 23.99426 
15.36496 
1 1 1 16  1   23 o 53.10704 7.102220  603.4333       152.9461 1066.709       
244.7824 306.7350       195.8925 69.68907 8.366362 36.52501 11.47912 33.16406 
14.20444 
1 1 1 16  1   24 o 40.27284 8.083797  391.8758       145.2170 313.2688       
216.9299 455.7042       195.4770 36.71487 12.11928 43.83081 10.70113 -7.115932 
16.16759 
1 1 1 16  1   25 o 82.92497 5.188098  1492.451       178.8506 1332.749       
233.8049 1717.719       277.6832 77.76865 7.160942 88.08129 7.509084 -10.31264 
10.37620 
1 1 1 16  1   26 o 26.73263 7.914619  14.75089       153.5306 -125.3196      
195.9192 237.6474       247.1470 20.40154 9.481942 33.06373 12.67508 -12.66219 
15.82924 
1 1 1 16  1   27 o 77.69495 7.536508  1460.981       243.0359 1541.757       
375.6886 1402.849       318.7072 78.80029 11.35589 76.58961 9.911582 2.210670 
15.07302 
1 1 1 16  1   28 o 27.45960 8.525050  31.24204       144.5356 288.8978       
348.6678 -22.22079      158.8246 34.64018 14.43811 20.27902 9.069010 14.36116 
17.05010 
1 1 1 16  1   29 o 37.00826 8.146008  425.6339       150.5934 61.76383       
379.1515 493.7883       164.0919 29.53946 13.51260 44.47705 9.101621 -14.93760 
16.29202 
1 1 1 16  1   30 o 60.02032 8.331293  858.9785       161.8982 1275.891       
388.5229 771.3741       178.0973 62.91734 14.91622 57.12330 7.426175 5.794033 
16.66259 
1 1 1 16  1   31 o 20.33648 6.242695  -79.59576      125.1262 -523.0526      
209.8081 165.1967       155.8818 14.73810 7.425384 25.93485 10.03736 -11.19675 
12.48539 
1 1 1 16  1   32 o 31.51186 6.711589  281.1644       123.6107 -1.636267      
189.2553 491.5593       163.2395 20.81955 9.533346 42.20417 9.449709 -21.38462 
13.42318 
1 1 1 16  1   33 o 27.43364 6.798029  215.1836       123.1722 -52.01988      
191.7204 402.9895       160.7318 19.02709 8.995276 35.84018 10.19499 -16.81310 
13.59606 
1 1 1 16  2   0  o 301.9536 8.324571  19440.94       1045.431 19200.06       
1383.365 19761.70       1596.323 300.1207 10.97898 303.7866 12.51623 -3.665894 
16.64914 
1 1 1 16  2   1  o 87.83705 3.843454  1618.599       141.3471 1464.157       
193.4639 1795.432       207.0132 83.35643 5.528178 92.31768 5.341143 -8.961250 
7.686908 
1 1 1 16  2   2  o 51.56767 5.881758  565.3569       122.3227 435.1004       
164.4529 726.6727       183.0124 44.49969 9.116555 58.63565 7.434295 -14.13597 
11.76352 
1 1 1 16  2   3  o 167.0403 5.223367  5915.794       359.2969 5797.588       
563.0350 5997.000       466.6693 165.5138 8.102562 168.5668 6.594143 -3.052994 
10.44673 
1 1 1 16  2   4  o 148.4750 5.358735  4709.999       322.2520 4858.036       
409.0835 4467.914       523.1313 151.7324 6.421769 145.2175 8.580504 6.514893 
10.71747 
1 1 1 16  2   5  o 165.7646 5.688670  5793.639       376.5005 5742.924       
464.5524 5890.713       642.7159 164.9217 6.709312 166.6074 9.188525 -1.685715 
11.37734 
1 1 1 16  2   6  o 176.9890 6.653698  6632.411       492.7752 6912.711       
732.7798 6401.009       665.8036 180.3308 9.678867 173.6472 9.132706 6.683670 
13.30740 
1 1 1 16  2   7  o 127.0319 5.257055  3404.522       279.8422 3565.353       
411.4637 3266.102       381.7211 129.8000 7.550539 124.2638 7.316821 5.536186 
10.51411 
1 1 1 16  2   8  o 218.7772 6.692310  10193.47       612.1094 10071.89       
904.9902 10296.00       831.0372 217.4311 9.913871 220.1233 8.992399 -2.692154 
13.38462 
1 1 1 16  2   9  o 138.7078 5.046806  4080.040       293.3365 4284.040       
409.9923 3866.097       419.8648 142.3100 6.862170 135.1056 7.402136 7.204330 
10.09361 
1 1 1 16  2   10 o 90.96913 5.438567  1671.112       181.1841 1589.214       
207.7910 1930.886       370.0743 86.75746 5.704806 95.18079 9.261060 -8.423332 
10.87713 
1 1 1 16  2   11 o 186.0755 6.266905  7502.757       450.9468 7710.821       
545.5920 7054.161       801.1192 190.7923 6.811272 181.3587 10.52155 9.433548 
12.53381 
1 1 1 16  2   12 o 40.86512 7.179903  368.2105       122.7221 317.4173       
165.8860 429.6180       182.3969 37.81889 10.20923 43.91136 10.09830 -6.092476 
14.35981 
1 1 1 16  2   13 o 91.08678 5.022993  1742.319       190.9733 1981.024       
288.8694 1556.990       254.5318 96.56160 7.125546 85.61195 7.081556 10.94965 
10.04599 
1 1 1 16  2   14 f 33.46504 7.672821  232.5641       130.5737 100.5660       
199.7671 331.0223       172.5305 28.41195 11.26754 38.51813 10.41784 -10.10618 
15.34564 
1 1 1 16  2   15 o 156.7613 5.513660  5213.478       353.2352 5111.870       
448.8200 5378.847       572.5844 155.0459 6.894981 158.4768 8.605871 -3.430923 
11.02732 
1 1 1 16  2   16 o 58.86497 7.048459  785.9243       163.4030 499.1127       
232.0395 1068.073       230.1455 46.97644 11.77690 70.75350 7.747749 -23.77706 
14.09692 
1 1 1 16  2   17 o 117.7129 5.287330  2924.402       259.9523 2675.568       
346.8713 3243.203       392.6209 112.0798 7.371606 123.3461 7.581745 -11.26627 
10.57466 
1 1 1 16  2   18 o 175.1132 6.407842  6567.947       469.9016 6377.189       
638.5698 6793.234       693.9630 172.4493 8.819989 177.7772 9.297826 -5.327896 
12.81568 
1 1 1 16  2   19 o 71.00040 5.802032  1104.158       168.5270 935.0575       
255.8209 1233.810       224.0024 65.89723 9.246768 76.10357 7.010819 -10.20634 
11.60406 
1 1 1 16  2   20 o 25.47171 7.657697  8.149822       145.7033 -73.30016      
219.9265 71.86582       194.5165 24.03131 10.71143 26.91211 10.94653 -2.880804 
15.31539 
1 1 1 16  2   21 o 36.20071 8.260246  283.9479       149.9023 154.8073       
223.5044 389.5340       202.0961 31.14220 12.02590 41.25923 11.32716 -10.11703 
16.52049 
1 1 1 16  2   22 o 86.92435 5.197535  1659.063       179.5312 1535.290       
301.0040 1727.408       223.6712 83.94916 8.540377 89.89954 5.926164 -5.950386 
10.39507 
1 1 1 16  2   23 f 63.59878 6.084157  893.7628       161.0245 809.4067       
235.6665 967.6323       220.5323 60.54283 9.271631 66.65473 7.880653 -6.111904 
12.16831 
1 1 1 16  2   24 o 27.34700 7.468466  76.63380       132.1785 -69.39908      
180.3501 246.1033       194.2840 21.21735 9.569118 33.47666 11.46926 -12.25931 
14.93693 
1 1 1 16  2   25 o 58.99962 5.588879  785.4464       135.2851 895.8690       
183.0797 652.6292       200.7882 64.05146 6.808198 53.94777 8.865141 10.10369 
11.17776 
1 1 1 16  2   26 o 80.55988 5.682858  1351.031       176.1282 1207.692       
206.6057 1732.222       336.9247 74.13211 6.638302 86.98763 9.225639 -12.85552 
11.36572 
1 1 1 16  2   27 o 64.70380 8.498756  1064.314       219.3137 980.9863       
345.0515 1120.795       284.0774 60.48125 13.87605 68.92635 9.816855 -8.445099 
16.99751 
1 1 1 16  2   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  2   29 o 30.03486 8.195548  218.9629       139.2339 -18.63388      
354.3066 262.3562       151.4155 28.00384 12.91348 32.06589 10.09505 -4.062056 
16.39110 
1 1 1 16  2   30 o 22.90728 7.395027  8.814475       139.2116 -358.6959      
368.2708 70.08498       150.3690 23.32395 11.39048 22.49061 9.434128 0.8333378 
14.79005 
1 1 1 16  2   31 o 35.15963 8.073091  331.0683       129.6431 468.9357       
228.6310 265.7308       157.3931 39.14650 12.41503 31.17275 10.32309 7.973747 
16.14618 
1 1 1 16  2   32 o 21.83750 6.577690  31.68451       120.6299 -186.2299      
191.2457 175.6678       155.4550 17.58875 8.502422 26.08626 10.03857 -8.497515 
13.15538 
1 1 1 16  2   33 f 22.11017 6.735447  80.63667       121.4067 -57.38392      
192.5645 171.6944       156.4094 19.30240 9.089340 24.91794 9.942279 -5.615540 
13.47089 
1 1 1 16  2   34 o 20.51141 6.993951  -60.40907      125.4362 223.6835       
302.0691 -119.6052      137.8869 25.92620 11.94331 15.09661 7.281399 10.82959 
13.98790 
1 1 1 16  3   0  o 214.5635 6.176916  9758.659       552.5568 9775.740       
739.6567 9737.087       831.1956 214.8971 8.198243 214.2299 9.241535 0.6671295 
12.35383 
1 1 1 16  3   1  o 44.34990 6.477778  432.1176       116.6644 470.5212       
166.5037 395.0811       163.5135 46.37215 8.869034 42.32766 9.443871 4.044487 
12.95556 
1 1 1 16  3   2  o 98.82894 4.611277  2060.333       191.3014 2111.404       
272.5164 2010.717       268.6081 100.0386 6.488523 97.61925 6.553975 2.419388 
9.222554 
1 1 1 16  3   3  f 189.1200 5.912649  7568.187       467.8742 7601.411       
691.2579 7540.098       635.5900 189.4399 8.691401 188.8000 8.018554 0.6398315 
11.82530 
1 1 1 16  3   4  o 80.52840 4.154241  1361.815       139.1097 1331.104       
183.5096 1403.304       213.2946 79.48579 5.499085 81.57101 6.228236 -2.085220 
8.308481 
1 1 1 16  3   5  o 83.93944 4.290197  1486.049       148.2398 1484.319       
233.7564 1487.213       191.7228 83.86105 6.639329 84.01781 5.435299 
-0.1567612     8.580395 
1 1 1 16  3   6  o 119.2529 4.465084  2921.956       211.9245 3244.728       
371.4593 2766.199       258.0402 123.9231 7.139699 114.5827 5.364010 9.340469 
8.930168 
1 1 1 16  3   7  o 66.13223 5.105165  921.9310       141.4643 964.2346       
208.1469 885.6172       192.8493 67.53033 7.341624 64.73414 7.095872 2.796188 
10.21033 
1 1 1 16  3   8  o 87.40994 4.317350  1596.952       156.2129 1525.320       
202.6078 1701.952       245.3007 85.04758 5.674339 89.77231 6.508449 -4.724724 
8.634700 
1 1 1 16  3   9  o 57.61126 4.715605  689.6264       113.0499 798.6583       
174.3943 610.6011       148.4699 61.46725 6.757865 53.75526 6.578676 7.711987 
9.431210 
1 1 1 16  3   10 o 77.98120 4.992183  1291.771       161.6950 1321.076       
215.0208 1253.631       245.3021 79.05360 6.478583 76.90881 7.597073 2.144783 
9.984365 
1 1 1 16  3   11 o 37.55909 7.311571  314.4230       115.6719 331.1538       
142.2336 281.7451       198.7798 38.68386 8.931823 36.43432 11.57838 2.249535 
14.62314 
1 1 1 16  3   12 o 278.8633 7.848133  16728.96       918.8105 16568.40       
1295.270 16891.58       1303.558 277.5052 11.11758 280.2215 11.08026 -2.716217 
15.69627 
1 1 1 16  3   13 o 27.83741 7.595573  112.1448       125.1837 112.7245       
189.4412 111.6955       166.7875 28.42275 11.05177 27.25207 10.42254 1.170679 
15.19115 
1 1 1 16  3   14 o 45.01941 7.356080  451.8604       135.7927 471.2428       
203.1446 436.2041       182.5774 45.84900 10.73220 44.18982 10.06318 1.659180 
14.71216 
1 1 1 16  3   15 o 62.59227 6.152037  833.8314       151.0964 1209.170       
230.7408 552.0594       199.9226 75.36440 7.292547 49.82014 9.910046 25.54427 
12.30407 
1 1 1 16  3   16 o 120.2631 4.860609  2909.643       237.5206 3773.542       
402.9570 2449.672       294.0305 133.1266 7.209661 107.3995 6.520956 25.72713 
9.721218 
1 1 1 16  3   17 f 102.2789 5.249276  2213.864       224.6174 2416.927       
335.0230 2048.051       302.7386 106.4969 7.493051 98.06081 7.353487 8.436127 
10.49855 
1 1 1 16  3   18 o 56.78357 6.216300  688.6334       147.4561 714.3964       
221.4119 668.0992       197.6707 57.68719 9.142029 55.87994 8.425726 1.807247 
12.43260 
1 1 1 16  3   19 o 75.97113 5.129570  1228.346       162.6865 1060.130       
225.2857 1411.662       235.1800 70.48469 7.613070 81.45757 6.876856 -10.97289 
10.25914 
1 1 1 16  3   20 o 103.0802 4.815742  2263.370       207.1983 2260.177       
278.4198 2267.333       310.1940 103.0802 6.433477 103.0801 7.167697 
0.1449585E-03  9.631485 
1 1 1 16  3   21 o 81.72707 5.172312  1433.622       177.0544 1390.143       
256.8762 1472.972       244.3765 80.47775 7.602723 82.97637 7.014974 -2.498619 
10.34462 
1 1 1 16  3   22 o 62.20367 6.112260  834.5040       153.9874 865.4354       
255.3085 816.8176       193.0554 62.83395 9.678141 61.57338 7.468099 1.260571 
12.22452 
1 1 1 16  3   23 o 33.81371 8.464578  230.0524       149.4810 288.6683       
228.8851 186.4578       197.3903 36.41573 12.44875 31.21170 11.47279 5.204033 
16.92916 
1 1 1 16  3   24 o 34.95928 8.196523  267.1065       144.3157 174.1573       
205.2182 358.0450       202.9864 30.76910 11.62111 39.14946 11.56208 -8.380360 
16.39305 
1 1 1 16  3   25 o 45.28471 7.436399  484.2536       138.2390 488.4872       
185.6431 478.9842       207.1133 45.72894 9.947158 44.84048 11.05686 0.8884583 
14.87280 
1 1 1 16  3   26 o 106.5999 5.565264  2500.446       235.0929 2446.503       
287.6000 2609.076       408.1277 105.8529 6.471535 107.3468 9.055821 -1.493958 
11.13053 
1 1 1 16  3   27 o 49.12648 8.765676  616.0309       180.0011 635.8991       
271.2668 600.4007       240.6029 49.48274 12.91942 48.77022 11.85061 0.7125206 
17.53135 
1 1 1 16  3   28 o 29.86382 8.362159  180.4500       125.2321 69.45609       
361.8425 195.5544       133.4814 30.91041 13.75960 28.81722 9.506645 2.093182 
16.72432 
1 1 1 16  3   29 o 49.79542 7.853465  574.1352       164.1836 0.000000       
0.000000 574.1352       164.1836 ?        ?        49.79542 7.853465 ? ? 
1 1 1 16  3   30 o 30.95592 8.586919  220.8211       139.1819 270.5570       
323.3503 209.5107       154.1976 32.92591 13.82395 28.98593 10.19015 3.939985 
17.17384 
1 1 1 16  3   31 f 28.18282 7.507406  191.1323       134.7849 -2.068502      
223.6653 301.3007       168.8973 23.21911 10.54690 33.14652 10.68679 -9.927410 
15.01481 
1 1 1 16  3   32 o 24.13021 6.863000  87.49529       127.7069 -212.0999      
220.5825 238.5456       156.6263 18.80480 9.097345 29.45561 10.27820 -10.65081 
13.72600 
1 1 1 16  3   33 o 22.56971 6.904802  76.95800       126.8886 -106.7968      
229.2450 158.1205       152.3555 20.27302 9.682258 24.86641 9.846779 -4.593390 
13.80960 
1 1 1 16  3   34 o 26.99590 7.640508  241.8181       128.2622 159.0283       
305.4418 259.5424       141.3266 25.12532 11.73974 28.86647 9.782024 -3.741142 
15.28102 
1 1 1 16  4   0  o 44.19972 6.159177  424.9022       110.0642 491.7695       
162.9156 368.7563       149.2847 47.48070 8.478129 40.91875 8.936619 6.561954 
12.31835 
1 1 1 16  4   1  o 238.2162 8.394697  12120.74       833.3812 12174.96       
1114.877 12052.07       1254.618 239.0670 11.10781 237.3654 12.58969 1.701645 
16.78939 
1 1 1 16  4   2  o 212.9608 7.208182  9585.968       633.2756 9372.345       
818.5583 9904.450       999.4625 210.2421 9.273656 215.6795 11.03770 -5.437408 
14.41636 
1 1 1 16  4   3  o 85.75156 4.161162  1550.309       149.6786 1631.336       
212.3960 1470.368       210.9662 87.98596 5.749818 83.51714 6.016701 4.468819 
8.322325 
1 1 1 16  4   4  o 105.3292 4.581491  2340.620       202.4614 2331.863       
291.4235 2348.791       281.4826 105.1289 6.602732 105.5296 6.353282 
-0.4007645     9.162983 
1 1 1 16  4   5  o 152.3180 5.247178  4910.153       334.1812 4807.753       
492.4997 4997.530       454.9391 150.7947 7.779310 153.8413 7.043709 -3.046616 
10.49436 
1 1 1 16  4   6  o 150.4054 5.318515  4795.411       329.6738 4855.726       
428.7822 4708.205       515.5856 151.6686 6.733831 149.1423 8.234192 2.526245 
10.63703 
1 1 1 16  4   7  o 93.88872 4.955715  1855.833       194.6820 1790.467       
262.9004 1935.199       289.6888 92.08157 6.800481 95.69586 7.210403 -3.614296 
9.911430 
1 1 1 16  4   8  o 141.7524 5.267530  4245.655       312.9327 3906.244       
435.5951 4607.654       449.8567 135.8766 7.635886 147.6282 7.258150 -11.75163 
10.53506 
1 1 1 16  4   9  o 183.0824 7.467920  7156.935       568.5473 7199.800       
755.3585 7100.909       863.5544 183.9229 9.782240 182.2419 11.28659 1.681076 
14.93584 
1 1 1 16  4   10 o 90.53832 4.553596  1732.468       171.9842 1736.571       
230.7498 1727.340       257.9640 90.69251 6.060257 90.38413 6.798106 0.3083801 
9.107193 
1 1 1 16  4   11 o 108.0418 3.997682  2464.862       181.0872 2444.168       
262.4270 2483.672       250.2019 107.5922 5.809636 108.4915 5.493083 
-0.8992844     7.995363 
1 1 1 16  4   12 o 49.94093 6.028422  531.3625       123.1115 483.2807       
162.3903 596.3474       188.7885 46.94351 8.556564 52.93834 8.494273 -5.994823 
12.05684 
1 1 1 16  4   13 o 82.01044 4.797281  1422.271       164.7406 1574.422       
238.7429 1283.976       227.6122 86.20935 6.596251 77.81154 6.967431 8.397812 
9.594562 
1 1 1 16  4   14 f 84.44767 4.912989  1510.511       173.8764 1642.909       
251.9666 1390.142       240.2485 87.98971 6.820752 80.90563 7.072990 7.084076 
9.825978 
1 1 1 16  4   15 o 68.58086 5.581131  1020.564       157.7600 866.9212       
234.0193 1148.552       213.5903 63.64176 8.758516 73.51994 6.919861 -9.878181 
11.16226 
1 1 1 16  4   16 o 38.23281 7.558889  278.4465       142.2832 561.9889       
216.2182 61.88378       188.9623 50.07603 10.60852 26.38960 10.77064 23.68644 
15.11778 
1 1 1 16  4   17 o 106.2612 4.785537  2372.566       211.8222 2616.936       
325.2721 2192.623       279.1199 110.9148 6.985191 101.6076 6.543131 9.307205 
9.571074 
1 1 1 16  4   18 o 82.00400 5.667128  1389.953       191.7533 1707.940       
307.6246 1187.889       245.2231 89.39597 8.196421 74.61201 7.828412 14.78396 
11.33426 
1 1 1 16  4   19 o 124.3564 5.417244  3296.523       268.7003 3306.126       
457.7531 3291.475       331.8974 124.1840 8.779844 124.5288 6.348267 
-0.3448105     10.83449 
1 1 1 16  4   20 o 30.43440 8.190292  131.5569       147.6542 229.9121       
219.7651 50.62393       199.3531 34.32883 12.15543 26.53997 10.98040 7.788864 
16.38058 
1 1 1 16  4   21 o 128.3331 5.447298  3517.494       282.6348 3575.952       
468.7658 3484.104       354.2717 128.8168 8.667708 127.8494 6.600229 0.9674911 
10.89460 
1 1 1 16  4   22 f 55.49490 7.038469  716.7753       149.1589 590.5382       
252.2769 784.6229       184.9487 50.53882 12.04387 60.45098 7.287338 -9.912155 
14.07694 
1 1 1 16  4   23 o 44.16301 8.221843  460.4392       156.1398 368.6432       
233.9793 534.1370       209.6489 40.13260 12.53210 48.19342 10.64618 -8.060822 
16.44369 
1 1 1 16  4   24 o 57.98714 6.450058  757.6840       149.8317 939.8735       
213.6527 581.3722       210.1781 65.73360 7.741800 50.24067 10.31879 15.49294 
12.90012 
1 1 1 16  4   25 o 32.91265 6.987635  131.5862       128.8288 -104.4693      
164.0584 511.2790       208.0690 19.21959 8.832188 46.60572 10.83054 -27.38612 
13.97527 
1 1 1 16  4   26 o 101.1917 4.970510  2195.349       207.8837 1991.351       
267.0952 2508.810       331.0901 95.56937 6.656846 106.8140 7.383107 -11.24461 
9.941019 
1 1 1 16  4   27 o 38.82215 7.162836  410.7679       112.0107 176.0718       
263.9381 462.3217       123.7028 31.71469 12.80900 45.92960 6.415164 -14.21491 
14.32567 
1 1 1 16  4   28 o 57.35898 6.334955  567.0037       124.9103 1220.005       
297.7292 427.5119       137.6065 71.84570 9.870559 42.87225 7.943470 28.97345 
12.66991 
1 1 1 16  4   29 o 36.39169 7.088067  384.4080       126.0677 20.15315       
283.6354 474.0841       140.7330 27.12988 12.12645 45.65351 7.342482 -18.52364 
14.17613 
1 1 1 16  4   30 o 28.83126 8.125973  181.6688       138.7569 121.3528       
283.3848 200.6897       159.1387 28.85507 12.54716 28.80745 10.32930 
0.4762459E-01  16.25195 
1 1 1 16  4   31 o 24.00928 7.310296  72.67493       129.8605 39.41700       
224.3506 89.43211       159.2502 24.45431 10.86300 23.56426 9.785553 0.8900452 
14.62059 
1 1 1 16  4   32 o 32.60323 8.136227  279.9651       133.2817 423.1956       
230.4758 207.9995       163.3691 36.99281 12.49193 28.21365 10.42806 8.779160 
16.27245 
1 1 1 16  4   33 o 33.68467 6.825490  348.2240       135.1854 -40.36903      
233.2482 544.7820       165.8885 21.92625 10.25041 45.44310 9.015450 -23.51685 
13.65098 
1 1 1 16  4   34 o 25.75662 7.517735  195.3884       133.9221 2.759218       
314.0407 238.2064       148.0600 23.51172 11.25369 28.00152 9.970948 -4.489796 
15.03547 
1 1 1 16  5   0  o 160.6229 5.293524  5451.854       356.4160 5423.370       
490.0068 5483.853       519.3704 160.2070 7.285205 161.0388 7.681886 
-0.8318024     10.58705 
1 1 1 16  5   1  o 75.47968 3.805085  1206.803       119.8145 1342.013       
167.7599 1066.027       171.1784 79.83689 5.005018 71.12246 5.732754 8.714432 
7.610169 
1 1 1 16  5   2  o 76.82867 4.125638  1233.145       132.4513 1361.961       
199.3658 1131.365       177.2137 80.38526 5.907385 73.27208 5.760761 7.113182 
8.251276 
1 1 1 16  5   3  o 67.70923 4.772099  965.6479       135.4384 997.5424       
198.3490 937.7865       185.3850 68.74826 6.872098 66.67020 6.623140 2.078064 
9.544198 
1 1 1 16  5   4  o 135.0914 4.043229  3799.161       227.0366 4164.243       
352.0903 3539.318       297.0398 140.5574 5.966525 129.6255 5.458148 10.93190 
8.086458 
1 1 1 16  5   5  o 244.3976 8.346836  12765.18       829.2911 12836.70       
1051.391 12647.43       1349.086 245.8037 10.18818 242.9915 13.22420 2.812195 
16.69367 
1 1 1 16  5   6  o 125.7274 5.121447  3340.232       263.3525 3334.183       
422.9017 3344.064       336.5791 125.5451 8.023440 125.9098 6.367205 
-0.3646240     10.24289 
1 1 1 16  5   7  o 105.5620 4.618231  2348.344       202.6324 1924.888       
279.0527 2820.685       294.7197 95.47074 6.962049 115.6533 6.069771 -20.18253 
9.236463 
1 1 1 16  5   8  o 112.1379 4.934947  2568.293       226.5770 3055.101       
374.0601 2286.172       284.7606 120.2065 7.411983 104.0693 6.517460 16.13724 
9.869893 
1 1 1 16  5   9  o 220.0052 8.528781  10373.24       772.2934 10400.02       
999.6475 10333.58       1216.335 220.7973 10.78386 219.2132 13.21623 1.584137 
17.05756 
1 1 1 16  5   10 o 169.5653 6.900233  6033.346       468.3947 5835.961       
576.6457 6416.146       803.0427 165.8835 8.279936 173.2471 11.04063 -7.363586 
13.80047 
1 1 1 16  5   11 o 83.04833 4.362494  1457.432       152.0424 1427.315       
216.5990 1486.686       213.4760 82.19316 6.276850 83.90350 6.060244 -1.710342 
8.724987 
1 1 1 16  5   12 o 91.96303 4.853938  1785.845       186.8757 1733.165       
253.4103 1848.646       276.6853 90.50189 6.669413 93.42416 7.054203 -2.922272 
9.707876 
1 1 1 16  5   13 o 114.0007 4.575544  2725.944       216.8855 2925.573       
334.9991 2581.886       284.5771 117.5134 6.790118 110.4880 6.134876 7.025360 
9.151088 
1 1 1 16  5   14 o 68.46892 5.587837  984.6979       158.8094 1219.303       
238.6255 798.1744       212.7722 75.74018 7.504324 61.19765 8.281352 14.54253 
11.17567 
1 1 1 16  5   15 o 126.0528 5.413929  3373.900       285.8687 3708.344       
415.5457 3073.417       393.8825 132.0031 7.498179 120.1026 7.811518 11.90051 
10.82786 
1 1 1 16  5   16 o 84.54021 5.130723  1507.543       181.0690 1751.429       
269.6485 1307.262       244.3562 90.73927 7.078215 78.34116 7.429412 12.39812 
10.26145 
1 1 1 16  5   17 o 58.74535 5.988880  731.2332       146.9279 818.3557       
221.9001 663.2166       196.0648 61.81871 8.549851 55.67200 8.388492 6.146713 
11.97776 
1 1 1 16  5   18 o 95.02990 5.052173  1927.685       199.8776 1873.245       
300.3507 1970.959       267.7835 93.73071 7.632518 96.32909 6.621365 -2.598373 
10.10435 
1 1 1 16  5   19 o 25.71742 7.436465  59.19360       126.2789 -8.970155      
210.9946 97.23612       157.6264 25.36188 10.92422 26.07295 10.09284 
-0.7110729     14.87293 
1 1 1 16  5   20 o 44.53354 8.027417  451.2008       151.0577 393.9569       
222.6647 500.0111       205.6091 41.91129 12.02442 47.15580 10.63819 -5.244511 
16.05483 
1 1 1 16  5   21 o 52.64542 7.285049  629.6520       155.4544 497.7017       
232.4703 736.3826       209.0772 46.74816 11.82902 58.54267 8.506585 -11.79451 
14.57010 
1 1 1 16  5   22 o 41.40512 7.835523  383.0937       158.8750 95.72049       
231.4790 639.0339       218.4529 29.49256 11.96087 53.31769 10.12518 -23.82513 
15.67105 
1 1 1 16  5   23 o 94.86397 5.682897  1981.906       221.9911 1644.686       
326.0248 2273.392       303.1117 86.86779 8.939495 102.8601 7.019024 -15.99235 
11.36579 
1 1 1 16  5   24 o 77.87621 4.631227  1304.240       142.2445 1305.134       
173.8660 1302.429       247.3660 78.23522 5.293384 77.51719 7.600864 0.7180328 
9.262453 
1 1 1 16  5   25 o 24.06428 7.155293  -27.72465      128.8083 -153.3006      
167.5692 153.6407       201.3809 18.36122 8.607256 29.76734 11.43276 -11.40613 
14.31059 
1 1 1 16  5   26 o 39.04125 7.712002  346.8061       130.7603 269.5667       
169.0855 461.7292       206.2485 34.13455 10.65226 43.94796 11.15479 -9.813408 
15.42400 
1 1 1 16  5   27 o 55.70560 7.258479  712.8851       135.4095 756.4343       
295.4994 701.3098       152.3459 54.73814 13.02863 56.67306 6.402878 -1.934917 
14.51696 
1 1 1 16  5   28 o 24.71157 7.086314  74.50233       124.2588 -328.7043      
278.7774 174.4694       138.8105 21.45113 10.34805 27.97202 9.684073 -6.520893 
14.17263 
1 1 1 16  5   29 o 33.61996 8.441293  243.4169       126.8127 369.9605       
283.3385 211.7187       141.8088 37.46540 13.74799 29.77451 9.798701 7.690889 
16.88259 
1 1 1 16  5   30 f 37.98011 7.560741  398.9246       128.0562 265.5126       
232.1557 457.2676       153.5240 32.57339 12.34333 43.38684 8.735074 -10.81345 
15.12148 
1 1 1 16  5   31 o 22.85981 7.179075  3.525835       132.5841 92.06932       
221.4576 -45.94086      165.5270 25.97386 11.18985 19.74576 8.996871 6.228102 
14.35815 
1 1 1 16  5   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  5   33 f 31.83593 6.721194  305.0442       139.9857 -338.0154      
294.3516 492.9931       159.1332 20.22565 9.962266 43.44620 9.025023 -23.22055 
13.44239 
1 1 1 16  5   34 o 20.27865 6.887302  -64.57572      134.6370 -66.28648      
309.4335 -64.17620      149.5338 23.13798 11.09787 17.41933 8.159469 5.718649 
13.77460 
1 1 1 16  5   35 o 21.27111 7.051164  37.14336       132.9041 15.48949       
315.7074 41.80736       146.5197 23.02156 11.08261 19.52065 8.720743 3.500908 
14.10233 
1 1 1 16  6   0  o 91.92380 4.106918  1779.296       158.3997 1701.632       
219.9636 1862.951       228.2903 89.84108 5.831724 94.00652 5.784297 -4.165443 
8.213836 
1 1 1 16  6   1  o 217.9348 7.373076  10118.60       665.0271 10206.17       
872.6154 9997.274       1027.148 219.3080 9.477404 216.5616 11.29725 2.746399 
14.74615 
1 1 1 16  6   2  o 153.6144 4.371997  4975.483       281.9405 4954.108       
395.9271 4997.474       401.5811 153.2831 6.152363 153.9458 6.213362 
-0.6626282     8.743995 
1 1 1 16  6   3  o 120.7561 4.314213  3014.342       210.6945 3293.201       
355.1750 2862.928       261.7177 124.9214 6.772152 116.5909 5.346746 8.330505 
8.628427 
1 1 1 16  6   4  o 292.4987 8.231060  18223.50       982.4865 18309.62       
1588.656 18170.16       1250.249 292.5300 12.93542 292.4674 10.18216 
0.6259155E-01  16.46212 
1 1 1 16  6   5  o 71.14240 4.512669  1058.480       133.3460 1009.706       
174.5470 1126.847       206.6514 69.20969 6.007123 73.07510 6.735813 -3.865417 
9.025337 
1 1 1 16  6   6  o 38.25103 7.143560  301.4225       124.2363 499.6878       
186.1132 142.0683       166.8536 47.69373 9.631972 28.80833 10.55210 18.88540 
14.28712 
1 1 1 16  6   7  o 91.78576 4.639150  1779.105       177.6389 1765.885       
266.0744 1789.736       238.6033 91.45007 6.930110 92.12145 6.169313 
-0.6713867     9.278300 
1 1 1 16  6   8  o 125.4540 5.708492  3329.976       300.5959 3239.628       
420.3033 3424.575       430.0789 123.7104 8.092408 127.1977 8.053599 -3.487328 
11.41698 
1 1 1 16  6   9  o 179.6555 6.009701  6736.250       444.9716 6323.837       
569.7885 7380.954       712.4064 172.8440 7.852002 186.4670 9.100115 -13.62302 
12.01940 
1 1 1 16  6   10 o 183.4544 6.134836  7161.982       463.9023 7248.547       
603.5786 7037.037       725.1350 185.0098 7.770699 181.8990 9.495319 3.110825 
12.26967 
1 1 1 16  6   11 o 42.02611 6.785250  378.1525       117.5885 275.2492       
154.7694 518.6600       180.8507 35.44160 9.979340 48.61061 9.196261 -13.16902 
13.57050 
1 1 1 16  6   12 o 87.59521 4.760621  1622.236       174.8999 1523.406       
244.0876 1726.525       250.7380 84.84289 6.852536 90.34755 6.610355 -5.504662 
9.521242 
1 1 1 16  6   13 o 89.97588 4.488820  1710.428       166.3530 1723.579       
262.3853 1701.588       215.1124 90.19869 6.928837 89.75307 5.708698 0.4456253 
8.977640 
1 1 1 16  6   14 o 168.8103 6.485424  6100.377       458.6598 5697.113       
652.4468 6494.372       644.9046 163.1682 9.524248 174.4525 8.805202 -11.28432 
12.97085 
1 1 1 16  6   15 o 166.3629 6.059221  5949.416       420.2372 6401.031       
576.9816 5439.176       613.2889 173.3358 7.928566 159.3899 9.164850 13.94595 
12.11844 
1 1 1 16  6   16 o 166.4324 6.216336  5847.853       428.6207 6431.976       
673.9974 5451.217       555.3953 173.1289 9.272775 159.7359 8.281727 13.39304 
12.43267 
1 1 1 16  6   17 f 21.51340 6.771273  -115.3341      122.0793 48.52846       
201.9029 -209.7644      153.2704 26.65298 11.04018 16.37383 7.843148 10.27915 
13.54255 
1 1 1 16  6   18 o 41.80760 7.357873  381.8640       147.1578 115.4870       
212.5945 626.9051       203.9027 29.55832 11.65471 54.05688 8.984485 -24.49855 
14.71575 
1 1 1 16  6   19 o 123.2025 5.350727  3239.989       274.5395 3198.457       
413.7831 3272.650       366.9390 122.3718 8.054014 124.0332 7.046556 -1.661377 
10.70145 
1 1 1 16  6   20 o 105.8371 4.616653  2381.907       204.2382 2349.961       
302.1710 2408.777       277.1245 105.1211 6.846744 106.5530 6.194841 -1.431953 
9.233307 
1 1 1 16  6   21 o 136.2768 5.415399  3920.873       303.4524 4200.673       
487.3193 3743.669       387.8170 139.9928 8.291422 132.5609 6.968392 7.431946 
10.83080 
1 1 1 16  6   22 o 146.1019 6.542041  4582.160       397.7602 4911.750       
611.7432 4340.765       523.5364 150.3998 9.688196 141.8039 8.793866 8.595947 
13.08408 
1 1 1 16  6   23 o 135.0466 4.821342  3935.453       271.0881 4208.302       
369.3984 3617.008       399.0716 140.3676 6.268291 129.7256 7.327337 10.64200 
9.642683 
1 1 1 16  6   24 o 75.31116 5.083559  1210.420       159.4397 1126.839       
210.0201 1324.118       244.9530 72.35096 6.914130 78.27135 7.454199 -5.920395 
10.16712 
1 1 1 16  6   25 o 59.73045 5.298788  775.8123       132.1420 676.2479       
184.6830 880.2524       189.1510 55.68755 7.899324 63.77334 7.064650 -8.085793 
10.59758 
1 1 1 16  6   26 o 32.40876 7.806150  193.9345       140.2203 26.35526       
192.8695 381.8179       204.2197 24.71471 10.53844 40.10281 11.51890 -15.38810 
15.61230 
1 1 1 16  6   27 o 19.84882 6.639639  -130.2594      125.0775 -333.9035      
276.8961 -78.05502      140.1957 21.66430 10.41695 18.03334 8.235671 3.630955 
13.27928 
1 1 1 16  6   28 o 69.04530 6.764847  1134.493       159.4363 1056.153       
319.3168 1160.509       184.0159 65.18804 12.12048 72.90257 6.012203 -7.714523 
13.52969 
1 1 1 16  6   29 o 30.01262 8.120281  179.7358       125.9481 223.2583       
264.6092 166.9873       143.2112 32.53223 12.94698 27.49299 9.804670 5.039240 
16.24056 
1 1 1 16  6   30 o 24.66277 7.434647  49.24645       124.6802 147.5021       
229.2943 7.999649       148.5627 28.63517 11.80526 20.69038 9.040561 7.944796 
14.86929 
1 1 1 16  6   31 o 25.90542 7.614791  107.7634       125.8818 150.4188       
236.1954 90.84073       148.7714 28.33157 11.85079 23.47927 9.565509 4.852299 
15.22958 
1 1 1 16  6   32 o 25.26424 7.448163  116.5539       127.0684 74.39856       
226.7611 135.8501       153.4184 25.35233 11.12264 25.17615 9.908959 0.1761742 
14.89633 
1 1 1 16  6   33 o 23.39289 9.571465  105.7288       149.6019 0.000000       
0.000000 105.7288       149.6019 ?        ?        23.39289 9.571465 ? ? 
1 1 1 16  6   34 o 23.14214 7.354248  68.39081       130.7593 -1.650525      
302.1754 84.52792       145.0423 24.37342 11.45061 21.91086 9.231655 2.462564 
14.70850 
1 1 1 16  6   35 o 22.96670 7.417011  87.13305       132.8997 115.2551       
321.6060 81.34183       145.9437 24.92609 11.74010 21.00730 9.067425 3.918795 
14.83402 
1 1 1 16  7   0  o 112.5252 4.556455  2669.225       213.2919 2649.231       
282.6877 2695.653       324.9998 112.0762 6.007786 112.9741 6.852125 
-0.8979034     9.112909 
1 1 1 16  7   1  o 205.3939 5.877924  8925.627       505.5872 9019.579       
743.5067 8844.816       689.5541 206.3407 8.582643 204.4471 8.033567 1.893616 
11.75585 
1 1 1 16  7   2  o 85.79964 4.041941  1551.461       145.2354 1552.191       
198.5515 1550.621       212.9960 85.83327 5.509836 85.76601 5.915307 
0.6726074E-01  8.083881 
1 1 1 16  7   3  o 232.7664 6.832195  11505.08       653.8340 11462.95       
1033.760 11533.18       844.1190 232.1522 10.60640 233.3807 8.615089 -1.228561 
13.66439 
1 1 1 16  7   4  o 221.5957 6.395970  10431.23       578.2771 10296.79       
931.6672 10515.48       737.5461 220.1792 10.07873 223.0123 7.877373 -2.833115 
12.79194 
1 1 1 16  7   5  o 173.4376 5.212577  6355.589       379.0457 6376.334       
523.1763 6332.667       549.9269 173.7648 7.171455 173.1103 7.566641 0.6544952 
10.42515 
1 1 1 16  7   6  o 149.7352 5.365380  4754.141       333.9834 4857.304       
445.1596 4621.296       505.1566 151.6764 6.990671 147.7940 8.141235 3.882370 
10.73076 
1 1 1 16  7   7  o 170.3879 6.049380  6155.318       432.2181 6454.786       
608.3420 5850.058       614.1974 174.6219 8.297935 166.1538 8.804787 8.468170 
12.09876 
1 1 1 16  7   8  o 235.9526 8.671367  11776.60       813.2529 11500.45       
995.6382 12330.19       1409.697 232.5274 10.19879 239.3778 14.02694 -6.850433 
17.34273 
1 1 1 16  7   9  o 65.45515 5.216602  895.6376       142.2478 827.4747       
187.5185 988.0256       218.3122 62.57040 7.138324 68.33990 7.608948 -5.769501 
10.43320 
1 1 1 16  7   10 o 114.0761 4.028753  2727.298       189.6832 2654.359       
245.1395 2836.128       299.4404 112.2312 5.202603 115.9210 6.152750 -3.689796 
8.057507 
1 1 1 16  7   11 o 132.7251 5.392432  3751.046       291.7827 3645.736       
469.1268 3817.487       372.6275 131.0494 8.526608 134.4007 6.603807 -3.351288 
10.78486 
1 1 1 16  7   12 o 87.91772 4.434155  1619.945       160.9193 1705.465       
254.5406 1563.010       207.6890 89.78798 6.752428 86.04747 5.749054 3.740509 
8.868309 
1 1 1 16  7   13 o 108.8410 5.261732  2499.444       239.4509 2651.387       
358.7166 2377.327       321.5872 111.7783 7.643901 105.9036 7.232845 5.874718 
10.52346 
1 1 1 16  7   14 o 54.47857 5.626194  603.2266       124.2188 739.0637       
211.7926 531.9964       153.3677 58.89027 8.566203 50.06687 7.296330 8.823399 
11.25239 
1 1 1 16  7   15 o 106.2852 5.078387  2307.445       220.1014 2788.363       
368.3309 2040.338       274.5019 114.4818 7.663424 98.08858 6.665734 16.39320 
10.15677 
1 1 1 16  7   16 o 71.51253 5.564143  1104.480       163.2110 1015.749       
253.6666 1167.160       213.2018 68.89648 8.769751 74.12856 6.850565 -5.232079 
11.12829 
1 1 1 16  7   17 o 154.1679 6.013586  5084.839       388.9151 4809.642       
544.4490 5371.572       555.7429 149.8579 8.653637 158.4779 8.352690 -8.619980 
12.02717 
1 1 1 16  7   18 o 136.9287 5.675176  3982.354       323.5187 4179.881       
495.1306 3835.197       427.3626 139.7486 8.439046 134.1088 7.590323 5.639801 
11.35035 
1 1 1 16  7   19 o 133.2729 5.596971  3794.707       311.4052 3823.874       
419.8054 3759.023       464.3416 133.9653 7.464086 132.5805 8.342168 1.384811 
11.19394 
1 1 1 16  7   20 o 146.4995 5.550405  4615.300       336.0435 4798.520       
443.5044 4368.314       514.9285 150.1782 7.034157 142.8207 8.587701 7.357544 
11.10081 
1 1 1 16  7   21 o 42.83474 8.421845  413.8185       156.7357 406.4252       
230.8880 420.1375       213.4526 42.53003 12.25834 43.13946 11.55175 
-0.6094322     16.84369 
1 1 1 16  7   22 o 68.31577 6.364707  998.3210       179.4912 770.1334       
242.6327 1274.140       266.7566 59.61697 9.693943 77.01456 8.250179 -17.39759 
12.72941 
1 1 1 16  7   23 o 93.79706 4.486658  1859.453       175.8159 1667.051       
235.6368 2101.085       264.0675 88.37560 6.350851 99.21853 6.339329 -10.84293 
8.973316 
1 1 1 16  7   24 o 104.5786 4.841331  2422.904       198.7126 2582.133       
246.3770 2126.538       336.1278 110.1240 5.328923 99.03324 8.084339 11.09072 
9.682663 
1 1 1 16  7   25 o 71.02708 5.281467  1108.880       155.0334 1225.488       
209.7942 968.5917       230.1126 75.43953 6.623926 66.61464 8.227952 8.824890 
10.56293 
1 1 1 16  7   26 o 27.36050 7.189921  137.5734       115.1790 -21.99203      
209.2642 206.9202       137.9553 24.27690 10.66764 30.44410 9.642679 -6.167198 
14.37984 
1 1 1 16  7   27 o 45.22243 8.224268  443.5040       134.4224 597.1398       
296.7472 403.8394       150.7793 48.64483 13.85738 41.80005 8.861568 6.844784 
16.44854 
1 1 1 16  7   28 o 24.27579 7.620466  -29.44781      109.3315 149.3992       
289.3514 -59.23462      118.0855 31.78500 13.19434 16.76659 7.628592 15.01841 
15.24093 
1 1 1 16  7   29 o 54.64440 5.258917  639.4618       111.9243 756.3044       
206.2717 590.7061       133.2452 57.44630 8.552608 51.84250 6.121906 5.603802 
10.51783 
1 1 1 16  7   30 o 25.48988 7.376372  58.88980       111.7933 231.1588       
224.9709 2.402308       128.8246 31.63838 12.10338 19.34139 8.435144 12.29699 
14.75274 
1 1 1 16  7   31 o 47.57437 7.289312  553.3145       132.2868 625.8077       
247.3136 524.2606       156.5675 47.71432 12.27707 47.43442 7.861931 0.2799072 
14.57862 
1 1 1 16  7   32 o 55.66183 6.741274  763.7153       139.9537 815.3043       
255.8818 741.6951       167.1752 54.72795 11.50120 56.59571 7.035737 -1.867756 
13.48255 
1 1 1 16  7   33 o 23.37690 7.182395  70.00742       119.1792 61.76652       
237.6473 72.77637       137.7539 24.98551 11.13574 21.76829 9.074275 3.217215 
14.36479 
1 1 1 16  7   34 o 25.87886 8.208875  101.4131       144.3781 205.2724       
365.8337 82.25243       157.1327 29.31675 13.36243 22.44098 9.538768 6.875771 
16.41775 
1 1 1 16  7   35 o 27.02340 7.382931  228.3746       133.9222 -82.42113      
308.4326 300.5830       148.6678 22.47885 10.85385 31.56795 10.01123 -9.089098 
14.76586 
1 1 1 16  7   36 f 35.16237 7.145862  469.9375       142.1972 131.9001       
260.6616 613.1583       169.6672 23.98525 11.06641 46.33950 9.043663 -22.35425 
14.29172 
1 1 1 16  8   0  o 141.5211 5.102192  4198.117       288.8169 4117.764       
356.1873 4352.365       493.4976 139.7064 6.072717 143.3359 8.200706 -3.629440 
10.20438 
1 1 1 16  8   1  o 35.38739 6.540464  272.1378       99.51385 345.7451       
145.1715 206.8899       136.6798 39.60278 8.942228 31.17200 9.547107 8.430780 
13.08093 
1 1 1 16  8   2  o 167.3289 5.596891  5923.986       392.4594 5913.402       
572.3459 5933.379       539.1804 167.1478 8.156034 167.5101 7.666801 
-0.3623047     11.19378 
1 1 1 16  8   3  o 65.46975 4.811664  898.4586       130.8577 1098.313       
193.4765 729.9524       177.6557 72.15508 6.386786 58.78443 7.198431 13.37065 
9.623328 
1 1 1 16  8   4  o 134.6494 4.485665  3822.256       251.7657 3840.555       
379.7920 3807.909       336.2686 134.8989 6.705919 134.3999 5.959480 0.4990082 
8.971330 
1 1 1 16  8   5  o 47.78552 6.189713  484.8843       118.7716 766.4428       
180.9286 271.6697       157.4459 60.24128 7.153756 35.32976 10.10317 24.91152 
12.37943 
1 1 1 16  8   6  o 167.7721 6.252331  5968.348       440.0879 6170.107       
619.0552 5762.199       625.7554 170.6762 8.639279 164.8680 9.040433 5.808151 
12.50466 
1 1 1 16  8   7  o 68.94244 4.934321  998.5698       139.9794 749.1012       
189.9219 1295.251       207.1151 59.52536 7.599658 78.35953 6.295656 -18.83417 
9.868642 
1 1 1 16  8   8  o 84.94942 4.533563  1523.827       160.0495 1529.951       
212.0549 1515.721       243.9754 85.18005 5.929684 84.71879 6.859419 0.4612656 
9.067126 
1 1 1 16  8   9  f 161.1894 4.757130  5487.718       321.8823 5601.866       
455.6338 5373.994       454.7881 162.8721 6.663314 159.5067 6.791274 3.365433 
9.514260 
1 1 1 16  8   10 o 61.23079 6.069732  797.2745       147.5914 560.6981       
197.8142 1094.348       221.6683 50.53545 9.668535 71.92612 7.340711 -21.39066 
12.13946 
1 1 1 16  8   11 o 227.9843 8.935463  11167.93       851.8052 11296.51       
1265.489 11061.41       1151.791 228.9497 13.16556 227.0189 12.08462 1.930801 
17.87093 
1 1 1 16  8   12 o 71.82704 4.754199  1091.705       142.4449 1095.603       
191.1476 1086.836       213.6147 72.00257 6.323271 71.65152 7.101118 0.3510513 
9.508398 
1 1 1 16  8   13 o 27.01496 7.632356  80.60893       129.7157 91.14708       
196.4594 72.46398       172.7169 28.02386 11.15488 26.00607 10.42018 2.017784 
15.26471 
1 1 1 16  8   14 o 43.84668 7.499095  423.5124       136.6942 506.3332       
203.8221 355.8107       184.2812 47.68060 10.46689 40.01277 10.74197 7.667824 
14.99819 
1 1 1 16  8   15 o 76.66592 4.871300  1247.075       156.7826 1261.277       
221.4830 1232.811       221.9660 77.10902 6.841577 76.22282 6.936215 0.8861923 
9.742599 
1 1 1 16  8   16 o 120.7472 5.061895  3099.461       256.0723 3098.800       
374.3239 3100.042       351.0749 120.6858 7.387753 120.8085 6.921868 
-0.1226425     10.12379 
1 1 1 16  8   17 o 80.20619 5.096379  1369.536       171.1207 1363.878       
251.3654 1374.423       233.6112 80.00893 7.483212 80.40347 6.920538 
-0.3945389     10.19276 
1 1 1 16  8   18 o 34.25803 7.475188  187.4023       125.6097 449.9926       
212.7213 46.82749       155.6415 44.66413 11.32364 23.85194 9.761602 20.81219 
14.95038 
1 1 1 16  8   19 o 71.93069 5.705533  1116.484       169.9302 915.7484       
241.9986 1311.736       238.6710 65.36589 8.818258 78.49550 7.242290 -13.12961 
11.41107 
1 1 1 16  8   20 o 175.2005 6.011382  6481.668       423.0260 6274.423       
523.0503 6873.577       719.2745 171.6636 7.257487 178.7374 9.585184 -7.073730 
12.02276 
1 1 1 16  8   21 o 112.5123 5.633864  2707.292       251.6965 2700.584       
432.0658 2710.738       309.6657 112.0766 9.182400 112.9481 6.530332 
-0.8715668     11.26773 
1 1 1 16  8   22 o 49.36927 6.686874  515.7260       134.1377 832.0635       
209.0654 294.3863       174.8784 62.31385 7.991320 36.42469 10.72362 25.88916 
13.37375 
1 1 1 16  8   23 o 52.08623 6.856197  577.0918       144.7260 476.2752       
184.6787 737.5457       232.9838 45.93050 9.861195 58.24196 9.528201 -12.31146 
13.71239 
1 1 1 16  8   24 o 113.8350 4.568841  2771.531       217.9050 3024.447       
313.4624 2535.020       303.1257 118.9174 6.278576 108.7525 6.639029 10.16489 
9.137682 
1 1 1 16  8   25 o 55.61862 6.230135  685.8752       136.9573 684.2554       
173.1035 688.5860       223.9424 56.25062 7.329924 54.98663 10.07624 1.263988 
12.46027 
1 1 1 16  8   26 o 55.88752 5.822778  645.3607       123.1545 779.9201       
240.0827 597.3093       143.4684 59.15889 9.666334 52.61615 6.494689 6.542740 
11.64556 
1 1 1 16  8   27 f 85.64494 5.188913  1514.716       159.4760 1788.167       
335.7764 1435.066       181.2198 89.50593 8.935513 81.78396 5.277868 7.721970 
10.37783 
1 1 1 16  8   28 o 61.09640 6.752380  861.1514       144.2394 861.4773       
286.8889 861.0411       166.8626 59.35767 11.93188 62.83513 6.325249 -3.477467 
13.50476 
1 1 1 16  8   29 o 23.86457 7.245586  39.81939       123.5439 0.2212048      
223.7709 57.18179       148.1736 24.88592 10.97763 22.84322 9.459692 2.042700 
14.49117 
1 1 1 16  8   30 o 29.94353 6.964433  212.3560       123.9861 -111.2505      
229.5404 345.6668       147.3273 22.27476 10.31818 37.61230 9.356735 -15.33754 
13.92887 
1 1 1 16  8   31 o 44.66651 7.377270  470.5195       126.7579 631.0964       
235.4235 404.9631       150.4234 48.76390 11.64335 40.56912 9.062493 8.194786 
14.75454 
1 1 1 16  8   32 o 26.35821 7.616210  114.1057       118.6836 220.5469       
235.6139 77.91508       137.3865 30.34998 12.16642 22.36644 9.165414 7.983536 
15.23242 
1 1 1 16  8   33 o 49.56649 7.345594  639.4836       125.1691 672.6854       
270.9110 630.4722       141.1367 46.76284 13.21459 52.37013 6.419149 -5.607285 
14.69119 
1 1 1 16  8   34 o 29.62622 6.777213  258.6503       118.6750 -75.52845      
243.1756 363.1215       135.9655 21.94166 10.30059 37.31078 8.810234 -15.36912 
13.55443 
1 1 1 16  8   35 o 21.71709 6.539190  41.39402       127.2344 -630.2043      
304.5916 183.3526       140.0374 17.52649 8.839426 25.90769 9.638909 -8.381203 
13.07838 
1 1 1 16  8   36 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  9   0  f 69.01653 4.154321  1005.564       120.2643 957.7402       
170.2689 1053.176       169.8906 67.36930 6.019971 70.66374 5.726560 -3.294441 
8.308642 
1 1 1 16  9   1  o 110.2585 4.089610  2549.773       188.4468 2703.255       
283.1502 2427.734       252.4859 113.2056 5.957581 107.3114 5.604183 5.894234 
8.179220 
1 1 1 16  9   2  o 27.53369 7.083702  130.9616       104.7024 139.6256       
164.5955 125.0729       135.6969 28.57087 10.47896 26.49651 9.534497 2.074364 
14.16740 
1 1 1 16  9   3  o 55.86338 5.027704  660.7316       117.6116 634.0406       
170.3653 685.0342       162.5645 54.76789 7.409285 56.95888 6.798067 -2.190990 
10.05541 
1 1 1 16  9   4  o 56.89642 5.197649  684.1085       124.1557 679.9643       
175.2865 688.2808       175.8804 56.72299 7.360555 57.06985 7.340602 
-0.3468666     10.39530 
1 1 1 16  9   5  o 98.35782 4.599940  2059.383       186.8389 1932.135       
286.4705 2153.582       246.4768 95.63850 7.134577 101.0771 5.808236 -5.438637 
9.199881 
1 1 1 16  9   6  o 141.6268 5.180454  4235.898       307.9281 4369.486       
441.9479 4109.858       429.2805 143.7963 7.320562 139.4574 7.331972 4.338928 
10.36091 
1 1 1 16  9   7  o 190.0246 6.271982  7641.782       495.1507 7560.879       
653.1849 7751.080       759.2131 188.9743 8.232928 191.0749 9.464138 -2.100571 
12.54396 
1 1 1 16  9   8  o 69.32260 4.891404  1016.549       142.0668 1089.952       
200.7344 942.8851       201.0918 71.84955 6.654551 66.79565 7.170793 5.053902 
9.782807 
1 1 1 16  9   9  o 215.7975 7.227960  9928.435       650.1113 9797.469       
976.1818 10032.82       871.4917 214.3252 10.84872 217.2697 9.553996 -2.944580 
14.45592 
1 1 1 16  9   10 o 120.3999 4.299529  3057.791       217.2663 3116.713       
312.0268 3002.336       302.7071 121.5215 6.115891 119.2783 6.044806 2.243225 
8.599058 
1 1 1 16  9   11 o 117.7365 4.856190  2910.076       236.7902 3055.552       
370.1280 2809.281       308.0873 120.1492 7.337565 115.3237 6.363210 4.825539 
9.712379 
1 1 1 16  9   12 o 111.9873 4.216728  2646.228       198.1289 2591.994       
274.3745 2705.323       286.4059 110.7964 5.898464 113.1781 6.027545 -2.381691 
8.433455 
1 1 1 16  9   13 o 88.98897 4.859954  1664.003       180.6987 1910.033       
267.8421 1458.479       244.8024 94.99772 6.715630 82.98021 7.026874 12.01751 
9.719909 
1 1 1 16  9   14 o 120.5239 4.902991  3081.839       247.6042 3024.420       
359.6728 3133.564       341.3738 119.4150 7.174137 121.6328 6.684987 -2.217766 
9.805982 
1 1 1 16  9   15 o 36.02908 8.005328  279.0269       137.8438 198.0818       
207.0661 343.4458       184.7227 32.74132 11.77826 39.31683 10.84499 -6.575516 
16.01066 
1 1 1 16  9   16 o 26.22147 7.540109  46.59703       131.9811 131.3991       
198.3847 -20.73835      176.7773 29.54920 11.34785 22.89373 9.931733 6.655464 
15.08022 
1 1 1 16  9   17 o 75.02606 4.744340  1188.357       145.9729 1229.654       
234.6044 1162.269       186.4632 75.99426 7.353203 74.05786 5.997122 1.936394 
9.488681 
1 1 1 16  9   18 o 55.13831 5.962550  644.7070       137.2012 598.6105       
182.2695 704.9745       208.4112 52.91318 8.204858 57.36343 8.653804 -4.450245 
11.92510 
1 1 1 16  9   19 o 192.3795 7.411537  7945.324       580.6552 8227.782       
949.9430 7776.837       733.6734 194.4440 11.63655 190.3151 9.182281 4.128860 
14.82307 
1 1 1 16  9   20 o 77.42947 5.047760  1304.183       159.7225 1122.556       
245.0529 1438.334       210.6042 72.49475 8.051455 82.36419 6.090453 -9.869438 
10.09552 
1 1 1 16  9   21 o 31.15625 8.234296  150.5075       152.0343 24.67684       
225.0031 256.2255       206.2384 27.14619 11.47068 35.16631 11.81685 -8.020124 
16.46859 
1 1 1 16  9   22 o 29.10212 7.528034  132.3671       132.1512 253.6544       
169.8209 -53.84142      210.4181 34.17974 10.67721 24.02448 10.61519 10.15526 
15.05607 
1 1 1 16  9   23 o 64.19035 6.027205  867.7692       160.4642 749.0905       
208.4760 1040.284       251.3520 58.95229 8.423186 69.42842 8.623152 -10.47614 
12.05441 
1 1 1 16  9   24 o 130.8835 5.461224  3653.461       284.4124 3568.242       
348.7276 3822.749       491.5053 129.1621 6.430908 132.6050 8.828549 -3.442886 
10.92245 
1 1 1 16  9   25 o 38.06618 7.415956  344.9213       118.1099 263.6152       
220.6475 377.5744       139.8297 35.19569 12.20710 40.93666 8.424504 -5.740963 
14.83191 
1 1 1 16  9   26 o 84.69160 4.699201  1598.116       147.4674 1434.600       
276.8355 1662.896       174.2473 80.99223 8.141406 88.39097 4.695471 -7.398735 
9.398401 
1 1 1 16  9   27 o 35.60412 7.561599  307.8859       126.2519 173.7696       
218.3634 375.2315       154.7368 30.96074 11.90109 40.24750 9.331413 -9.286753 
15.12320 
1 1 1 16  9   28 o 68.58566 6.029588  1075.982       149.6481 1002.976       
291.8850 1102.015       174.2991 65.82097 10.56255 71.35034 5.818621 -5.529373 
12.05918 
1 1 1 16  9   29 o 108.9249 5.171844  2630.669       222.1209 2669.252       
386.5255 2611.646       271.4114 108.4426 8.489839 109.4073 5.908849 
-0.9647598     10.34369 
1 1 1 16  9   30 o 23.09734 7.155019  12.06377       120.3425 50.37251       
226.2006 -3.059804      142.1255 26.06026 11.26899 20.13442 8.819698 5.925842 
14.31004 
1 1 1 16  9   31 o 90.48656 5.329082  1917.804       188.5722 1736.613       
320.9019 2013.371       233.0559 85.61234 8.928060 95.36077 5.821185 -9.748436 
10.65816 
1 1 1 16  9   32 o 29.90617 7.683808  143.4049       115.3209 425.4037       
232.7225 51.62326       132.7678 38.67245 12.55217 21.13989 8.866044 17.53256 
15.36762 
1 1 1 16  9   33 o 55.69769 6.636881  740.5044       129.6099 870.4348       
264.6904 699.5248       148.6506 56.12004 11.62591 55.27534 6.405548 0.8446960 
13.27376 
1 1 1 16  9   34 o 18.33172 6.159822  -96.86185      116.8976 -231.0203      
239.1940 -54.76460      133.9887 19.44962 9.420389 17.21381 7.939137 2.235806 
12.31964 
1 1 1 16  9   35 f 66.69125 5.771158  1113.997       127.1259 1115.922       
277.3003 1113.485       143.0431 63.04440 10.47671 70.33811 4.843923 -7.293716 
11.54232 
1 1 1 16  9   36 o 23.07398 6.920724  125.4422       104.9686 132.0072       
223.5764 123.5859       118.8861 24.01974 10.75050 22.12822 8.718511 1.891521 
13.84145 
1 1 1 16  10  0  o 30.60098 6.340442  195.9722       90.23046 279.4555       
130.2864 119.0242       125.0829 35.57228 8.768361 25.62967 9.160823 9.942606 
12.68088 
1 1 1 16  10  1  o 150.8466 4.900300  4823.273       309.0591 4643.768       
453.1081 4979.444       422.6327 148.1596 7.284388 153.5335 6.556635 -5.373886 
9.800600 
1 1 1 16  10  2  o 213.8612 5.870365  9686.638       526.8885 9442.573       
733.2602 9947.173       757.6017 211.0848 8.274129 216.6376 8.329678 -5.552841 
11.74073 
1 1 1 16  10  3  o 178.7037 5.051793  6744.286       377.7044 6815.110       
559.1514 6684.848       512.2361 179.5181 7.418947 177.8893 6.858693 1.628738 
10.10359 
1 1 1 16  10  4  o 83.93169 4.588965  1488.004       161.5141 1511.729       
224.1449 1462.381       232.9398 84.64083 6.307685 83.22254 6.666898 1.418289 
9.177931 
1 1 1 16  10  5  o 24.34050 6.929791  58.37272       108.3259 40.70029       
163.3790 72.23647       144.7067 24.27821 9.979564 24.40279 9.617500 
-0.1245804     13.85958 
1 1 1 16  10  6  o 28.54232 7.416143  136.2924       117.8846 173.9172       
165.1613 97.21870       168.3113 30.24421 10.55442 26.84043 10.42118 3.403786 
14.83229 
1 1 1 16  10  7  o 222.5891 7.714567  10619.35       683.7827 10744.75       
846.0064 10383.09       1161.232 225.0558 8.953741 220.1225 12.56538 4.933319 
15.42913 
1 1 1 16  10  8  o 145.7306 5.128064  4490.590       301.1093 4492.626       
376.4204 4486.970       501.7686 145.9217 6.144329 145.5394 8.211905 0.3822327 
10.25613 
1 1 1 16  10  9  o 104.6177 5.075759  2301.998       222.1250 2453.185       
331.8289 2179.250       298.9950 107.6966 7.338938 101.5388 7.013794 6.157845 
10.15152 
1 1 1 16  10  10 o 61.33421 5.351679  789.0123       136.9326 925.7750       
203.9027 676.6667       184.8064 66.14581 7.342463 56.52261 7.787817 9.623192 
10.70336 
1 1 1 16  10  11 o 162.5293 6.340400  5567.909       429.7610 6016.034       
654.8342 5228.861       569.5905 168.1538 9.275677 156.9048 8.646647 11.24908 
12.68080 
1 1 1 16  10  12 o 215.5295 7.161782  10001.22       638.4123 10452.22       
845.6360 9403.500       973.5113 221.5854 9.089988 209.4735 11.06962 12.11192 
14.32356 
1 1 1 16  10  13 o 181.6385 6.108771  7014.745       465.6321 7250.495       
670.6322 6795.309       647.0094 184.5782 8.654165 178.6988 8.624023 5.879333 
12.21754 
1 1 1 16  10  14 o 74.98563 4.846982  1155.696       150.2688 1434.731       
238.0872 970.9473       193.7300 82.27833 6.892418 67.69292 6.816710 14.58541 
9.693965 
1 1 1 16  10  15 o 31.37739 7.590044  196.2307       117.9572 180.0779       
194.8783 205.5704       148.1861 31.51296 11.41743 31.24183 10.00387 0.2711353 
15.18009 
1 1 1 16  10  16 o 110.0001 4.580212  2559.802       211.2226 2451.485       
289.4258 2683.233       308.9576 107.5279 6.411170 112.4724 6.542955 -4.944550 
9.160423 
1 1 1 16  10  17 f 29.32623 7.759800  128.5140       135.2120 17.23568       
197.3543 226.9549       185.6218 25.36761 10.73215 33.28486 11.21067 -7.917248 
15.51960 
1 1 1 16  10  18 o 132.6636 5.038885  3731.494       268.3655 3795.841       
452.5855 3696.602       333.2776 133.2792 8.088342 132.0480 6.011671 1.231110 
10.07777 
1 1 1 16  10  19 o 235.4472 7.916757  12074.06       768.2991 12266.05       
1001.666 11799.69       1197.433 238.5103 10.00315 232.3841 12.27343 6.126190 
15.83351 
1 1 1 16  10  20 o 144.4151 6.364186  4472.339       382.9525 4484.589       
578.1531 4462.763       511.1656 144.4018 9.536552 144.4285 8.430042 
-0.2676392E-01 12.72837 
1 1 1 16  10  21 o 76.79957 5.142082  1252.852       164.1344 1231.708       
216.5049 1281.427       251.6907 76.11357 6.775270 77.48557 7.736908 -1.371994 
10.28416 
1 1 1 16  10  22 o 122.7005 3.953560  3179.552       201.2381 3119.985       
263.8525 3262.388       311.1471 121.4148 5.176193 123.9861 5.977422 -2.571220 
7.907120 
1 1 1 16  10  23 o 102.3350 4.796504  2199.562       196.5472 2120.041       
241.8859 2354.104       337.2030 99.89054 5.767761 104.7795 7.665426 -4.888931 
9.593009 
1 1 1 16  10  24 o 31.72781 8.050473  193.4195       136.2627 229.5331       
202.6686 163.6271       184.0790 33.49051 11.69118 29.96511 11.07054 3.525394 
16.10095 
1 1 1 16  10  25 o 59.83463 5.661808  766.5024       130.3898 803.5238       
239.6696 750.9382       155.3999 60.46539 9.441200 59.20386 6.252040 1.261536 
11.32362 
1 1 1 16  10  26 o 26.97799 6.825761  126.1622       115.0049 -181.0853      
219.1047 242.9997       135.1135 21.25497 9.935884 32.70101 9.361744 -11.44604 
13.65152 
1 1 1 16  10  27 o 25.82429 6.554762  72.69060       119.4252 -348.6403      
216.3782 257.2640       143.2143 18.20911 8.862901 33.43946 9.659638 -15.23035 
13.10952 
1 1 1 16  10  28 o 57.70361 5.868529  659.4178       130.5954 967.0240       
253.2659 548.0046       152.4219 65.46449 9.214930 49.94272 7.269361 15.52177 
11.73706 
1 1 1 16  10  29 o 83.69626 4.773921  1528.558       157.1093 1583.900       
276.6342 1502.208       190.8807 84.12612 7.832423 83.26640 5.460259 0.8597183 
9.547842 
1 1 1 16  10  30 o 26.04145 6.903986  70.28996       102.7258 281.7760       
185.3381 -23.48956      123.4178 33.88781 11.20209 18.19510 8.072989 15.69271 
13.80797 
1 1 1 16  10  31 o 35.67751 7.907064  283.4323       118.8171 456.2695       
236.0893 224.8067       137.4994 41.00239 12.54540 30.35262 9.628060 10.64977 
15.81413 
1 1 1 16  10  32 o 22.68000 7.035877  32.50261       114.2483 31.55278       
230.4522 32.81212       131.5525 24.96522 11.05989 20.39478 8.700176 4.570442 
14.07175 
1 1 1 16  10  33 o 30.68431 6.255907  277.5412       108.5522 -153.9491      
240.0385 388.4720       121.7087 21.13417 10.02617 40.23446 7.484745 -19.10028 
12.51181 
1 1 1 16  10  34 f 49.16920 7.568658  752.8439       138.3478 486.8740       
283.7610 835.7809       158.4568 38.09809 13.77983 60.24031 6.265342 -22.14221 
15.13732 
1 1 1 16  10  35 o 39.58958 7.828948  383.0470       112.9195 651.0725       
259.8858 320.6715       125.3723 44.26830 13.08537 34.91086 8.599004 9.357437 
15.65790 
1 1 1 16  10  36 f 30.92464 7.315313  315.1813       113.4643 222.0421       
253.9717 338.4071       126.8248 26.88784 11.78385 34.96144 8.671563 -8.073601 
14.63063 
1 1 1 16  10  37 o 20.78703 6.613250  49.53384       104.6494 157.4374       
211.4035 14.50992       120.4416 24.06953 10.63693 17.50453 7.861050 6.565006 
13.22650 
1 1 1 16  11  0  o 47.89886 6.624892  472.1158       124.1395 641.2451       
213.1821 385.3405       152.7002 54.02982 9.755087 41.76790 8.966330 12.26191 
13.24978 
1 1 1 16  11  1  o 177.5122 5.030123  6664.275       374.4165 6735.000       
544.3424 6600.769       515.8182 178.3745 7.268764 176.6499 6.955114 1.724503 
10.06025 
1 1 1 16  11  2  o 201.1288 6.381132  8629.749       532.1819 8828.502       
704.5453 8365.683       812.1002 204.0424 8.224502 198.2153 9.758737 5.827118 
12.76226 
1 1 1 16  11  3  o 138.6045 5.117027  4060.082       297.5808 4266.355       
426.9107 3865.134       415.0265 142.0372 7.159063 135.1718 7.313255 6.865326 
10.23405 
1 1 1 16  11  4  o 197.3075 6.287593  8202.335       512.2920 8591.938       
808.3599 7940.831       662.2661 201.0206 9.578227 193.5944 8.148183 7.426254 
12.57519 
1 1 1 16  11  5  o 220.6332 7.967174  10392.16       737.7980 10704.59       
1056.660 10094.93       1030.634 223.8759 11.24214 217.3905 11.29237 6.485413 
15.93435 
1 1 1 16  11  6  o 52.75845 5.702634  573.7531       124.0231 511.5881       
158.1518 673.0449       199.8747 49.16899 7.661326 56.34790 8.448919 -7.178917 
11.40527 
1 1 1 16  11  7  o 147.8920 5.455674  4580.457       308.5392 4512.282       
365.9492 4748.060       573.7860 146.2533 5.959862 149.5306 9.139888 -3.277328 
10.91135 
1 1 1 16  11  8  o 46.73796 6.315212  476.3041       120.1473 442.0839       
180.6960 503.4225       160.8569 44.71736 9.888380 48.75856 7.857962 -4.041199 
12.63042 
1 1 1 16  11  9  o 142.0949 4.970053  4235.839       293.6967 4503.583       
452.6627 4041.184       385.9647 145.8885 7.390516 138.3013 6.647254 7.587173 
9.940106 
1 1 1 16  11  10 o 76.00151 4.971308  1215.485       158.1050 1361.664       
232.3046 1089.345       215.7955 80.24757 6.895203 71.75545 7.163225 8.492119 
9.942616 
1 1 1 16  11  11 o 159.1493 5.029547  5284.605       332.7633 5898.845       
516.4354 4848.535       435.1362 166.8967 7.370369 151.4018 6.845658 15.49493 
10.05909 
1 1 1 16  11  12 o 74.16071 4.810634  1157.058       149.3081 1287.696       
220.3877 1046.230       202.9907 78.01379 6.728791 70.30764 6.876930 7.706146 
9.621268 
1 1 1 16  11  13 o 170.2496 6.522647  6177.923       465.8776 6517.797       
667.6052 5855.311       650.4313 174.8483 9.094511 165.6510 9.352516 9.197357 
13.04529 
1 1 1 16  11  14 o 115.8720 4.835860  2843.195       232.6495 2861.271       
356.9290 2829.844       306.7704 116.1112 7.321984 115.6328 6.319075 0.4784241 
9.671720 
1 1 1 16  11  15 o 118.4836 4.651639  2977.369       231.1138 3016.135       
320.3899 2935.314       333.7053 119.3194 6.395711 117.6477 6.756171 1.671692 
9.303277 
1 1 1 16  11  16 o 158.2726 5.454922  5338.252       362.2584 5501.022       
509.6785 5172.076       514.9843 160.7598 7.551616 155.7855 7.873867 4.974350 
10.90984 
1 1 1 16  11  17 o 38.68813 7.623491  332.4405       125.7461 329.2033       
206.8114 334.3391       158.3865 38.69615 11.72228 38.68011 9.749798 
0.1603699E-01  15.24698 
1 1 1 16  11  18 o 214.6720 7.550814  10042.50       661.5773 10279.82       
848.8244 9675.241       1055.953 218.7420 9.242868 210.6021 11.94272 8.139938 
15.10163 
1 1 1 16  11  19 o 206.7987 8.006068  9074.843       673.6929 10161.63       
1122.067 8462.238       842.4349 215.5617 12.39848 198.0357 10.13244 17.52599 
16.01214 
1 1 1 16  11  20 o 134.0863 5.566656  3855.527       311.2711 3646.399       
459.8225 4032.418       422.8993 130.5647 8.388521 137.6078 7.320064 -7.043106 
11.13331 
1 1 1 16  11  21 o 84.55962 4.910518  1573.588       165.2112 1716.443       
209.1691 1336.655       269.3779 90.04295 5.533105 79.07630 8.114031 10.96664 
9.821036 
1 1 1 16  11  22 o 53.61195 6.567292  628.1357       141.1806 626.0620       
181.8717 631.2801       223.9514 54.08853 8.009049 53.13537 10.41021 0.9531593 
13.13458 
1 1 1 16  11  23 o 54.31506 6.548381  667.0944       141.1708 453.7728       
201.0568 874.5303       198.2638 44.70575 10.81434 63.92437 7.387509 -19.21861 
13.09676 
1 1 1 16  11  24 o 40.95808 6.851334  442.8686       123.6107 110.9436       
227.2038 582.4232       147.3220 29.74813 11.93810 52.16803 6.726424 -22.41990 
13.70267 
1 1 1 16  11  25 o 90.71686 4.796472  1776.107       173.0493 1743.274       
294.6738 1793.390       213.7993 89.72819 7.822286 91.70553 5.553053 -1.977341 
9.592943 
1 1 1 16  11  26 o 48.66857 6.754303  540.7480       119.0399 516.9749       
232.6292 549.1814       138.5546 46.82895 11.82324 50.50818 6.534015 -3.679230 
13.50861 
1 1 1 16  11  27 o 33.24368 6.686472  257.9784       124.5468 -108.4344      
216.7275 438.6509       152.1860 22.54627 10.27874 43.94110 8.554711 -21.39483 
13.37294 
1 1 1 16  11  28 o 39.19714 6.703254  376.1825       108.6259 267.9885       
190.5752 428.2494       132.2043 34.17053 11.35926 44.22374 7.120511 -10.05321 
13.40651 
1 1 1 16  11  29 o 30.74486 7.753430  130.8097       123.1217 395.8836       
232.1700 27.09710       145.2240 39.83134 12.49267 21.65838 9.186731 18.17296 
15.50686 
1 1 1 16  11  30 o 31.77623 7.808341  233.4580       120.2243 228.1847       
227.3095 235.5061       141.6597 32.16336 12.20623 31.38910 9.741082 0.7742596 
15.61668 
1 1 1 16  11  31 o 23.86249 7.033947  73.40141       115.2302 -67.72136      
227.4446 122.1317       133.6524 22.98954 10.49527 24.73544 9.367764 -1.745895 
14.06789 
1 1 1 16  11  32 o 73.82368 5.388631  1204.900       152.9935 1410.259       
286.8492 1123.256       180.8671 76.77230 8.899595 70.87506 6.078370 5.897240 
10.77726 
1 1 1 16  11  33 o 20.08573 6.545713  -38.90048      116.8035 -168.2417      
239.1477 1.620002       133.8551 20.92966 9.966231 19.24180 8.488797 1.687862 
13.09143 
1 1 1 16  11  34 o 28.85689 7.173460  229.9507       115.1412 35.51308       
241.7004 287.0291       130.9554 24.54206 11.07267 33.17173 9.123049 -8.629669 
14.34692 
1 1 1 16  11  35 o 27.04531 7.632719  155.3311       107.9952 294.2116       
247.1089 122.5424       120.0688 30.99527 12.44530 23.09534 8.840142 7.899933 
15.26544 
1 1 1 16  11  36 o 31.62836 7.994816  267.5086       112.5868 485.2595       
255.9057 215.2446       125.3722 35.68585 13.06838 27.57087 9.213350 8.114983 
15.98963 
1 1 1 16  11  37 o 18.87175 6.201816  7.134794       106.4568 -130.2909      
244.8976 39.15359       118.2097 19.45116 9.455297 18.29235 8.027916 1.158808 
12.40363 
1 1 1 16  12  0  o 110.6613 6.538039  2591.047       303.7543 0.000000       
0.000000 2591.047       303.7543 ?        ?        110.6613 6.538039 ? ? 
1 1 1 16  12  1  o 76.32990 5.207595  1225.027       164.0305 1285.441       
259.5142 1184.834       211.6759 77.82666 7.942437 74.83313 6.737498 2.993530 
10.41519 
1 1 1 16  12  2  o 116.4940 5.506937  2806.705       254.6394 2670.361       
309.5063 3092.323       447.9650 112.3903 6.559364 120.5978 8.847609 -8.207458 
11.01387 
1 1 1 16  12  3  o 93.69933 4.114321  1845.565       161.3470 1940.943       
239.8317 1766.707       218.0752 95.89021 5.957352 91.50843 5.676311 4.381783 
8.228642 
1 1 1 16  12  4  o 109.5176 4.376847  2524.320       200.3208 2613.741       
300.0698 2452.428       269.0541 111.2371 6.425304 107.7981 5.944967 3.438942 
8.753695 
1 1 1 16  12  5  o 27.89000 6.812623  149.1999       97.48370 171.5863       
137.3826 126.4977       138.3480 29.10306 9.644567 26.67695 9.624430 2.426107 
13.62525 
1 1 1 16  12  6  o 100.5234 4.894316  2096.270       198.4098 1999.309       
245.7270 2277.900       336.3164 97.33271 6.013331 103.7141 7.723804 -6.381393 
9.788631 
1 1 1 16  12  7  o 190.0281 6.074328  7666.826       471.2694 7678.886       
600.7328 7647.526       759.9399 190.4645 7.512568 189.5917 9.547311 0.8728333 
12.14866 
1 1 1 16  12  8  o 241.3324 8.024869  12456.99       801.3912 12499.45       
1243.098 12426.80       1048.312 241.2956 12.27092 241.3691 10.34499 
-0.7347107E-01 16.04974 
1 1 1 16  12  9  o 20.39318 6.345262  -81.88962      113.2549 -237.3967      
169.8600 42.57500       151.9634 17.20450 8.244816 23.58186 9.647404 -6.377361 
12.69052 
1 1 1 16  12  10 o 136.9359 5.372018  3972.638       308.7018 3984.357       
443.5352 3961.628       429.9236 137.1136 7.704926 136.7581 7.487887 0.3555450 
10.74404 
1 1 1 16  12  11 o 248.1329 8.264461  13081.84       793.3494 13603.89       
1444.263 12856.24       949.4162 250.5635 13.72934 245.7023 9.203827 4.861160 
16.52892 
1 1 1 16  12  12 o 142.7091 5.232058  4240.024       300.5737 4588.026       
511.0635 4055.994       371.6458 146.9273 8.285019 138.4910 6.391885 8.436325 
10.46412 
1 1 1 16  12  13 o 228.4327 7.788020  11028.36       666.3618 11628.42       
1284.658 10807.48       779.4144 231.4499 13.22062 225.4156 8.235796 6.034302 
15.57604 
1 1 1 16  12  14 o 125.1154 5.681357  3269.603       291.1242 3603.961       
475.4853 3069.099       368.2083 129.9898 8.712623 120.2411 7.293934 9.748734 
11.36271 
1 1 1 16  12  15 o 140.2853 5.023265  4181.909       295.2697 4512.170       
419.8130 3858.599       415.3712 145.8252 6.857162 134.7455 7.342486 11.07965 
10.04653 
1 1 1 16  12  16 o 279.7435 10.39390  17313.94       1220.062 17397.21       
1700.780 17225.65       1751.180 280.6936 14.43234 278.7934 14.96130 1.900208 
20.78781 
1 1 1 16  12  17 o 129.5844 5.115027  3566.921       277.9972 3774.125       
403.3248 3379.387       383.7035 133.1673 7.214039 126.0015 7.253389 7.165726 
10.23005 
1 1 1 16  12  18 o 143.5852 5.788956  4328.790       331.7115 4661.417       
573.9073 4161.923       406.4867 147.2823 9.281372 139.8881 6.921283 7.394226 
11.57791 
1 1 1 16  12  19 o 118.7842 4.340135  2930.345       213.8087 3400.593       
335.9072 2610.065       277.2174 126.5935 6.320174 110.9749 5.949999 15.61860 
8.680270 
1 1 1 16  12  20 o 175.0297 5.060752  6403.534       356.3531 6129.453       
440.3809 6923.414       606.5140 170.0076 6.169944 180.0519 8.023506 -10.04433 
10.12150 
1 1 1 16  12  21 o 37.55215 7.183885  309.1331       122.2506 174.7117       
171.3688 448.4306       174.4493 30.27437 10.73246 44.82993 9.552340 -14.55556 
14.36777 
1 1 1 16  12  22 o 193.4834 6.560771  7979.064       520.4883 7686.963       
662.8768 8448.701       840.5179 189.3853 8.336956 197.5815 10.13262 -8.196106 
13.12154 
1 1 1 16  12  23 o 36.39810 7.605000  305.9397       120.6817 208.8948       
229.7685 342.9103       141.8185 33.66179 12.37758 39.13441 8.839662 -5.472614 
15.21000 
1 1 1 16  12  24 o 127.6139 4.956386  3410.333       245.0934 3699.102       
449.4447 3288.113       292.3959 130.8991 8.178257 124.3288 5.601709 6.570259 
9.912771 
1 1 1 16  12  25 o 83.66367 4.382936  1460.741       144.1574 1604.662       
258.1327 1395.511       173.7820 86.32755 7.122208 80.99979 5.110249 5.327751 
8.765871 
1 1 1 16  12  26 o 55.30620 5.985706  679.4658       115.7399 675.0524       
231.6409 680.9342       133.6140 54.18331 10.55966 56.42909 5.639883 -2.245781 
11.97141 
1 1 1 16  12  27 f 50.69481 5.968736  640.3421       111.5866 383.6635       
181.7966 795.5020       141.3451 40.46838 10.58128 60.92123 5.526283 -20.45285 
11.93747 
1 1 1 16  12  28 o 22.85326 7.136378  -13.63576      122.7984 -22.97094      
230.0804 -9.917363      145.2098 25.16722 11.11267 20.53929 8.956566 4.627934 
14.27276 
1 1 1 16  12  29 o 52.67085 6.725503  580.7255       131.7279 841.1306       
254.8127 485.7512       153.8860 59.38205 10.60277 45.95964 8.277129 13.42240 
13.45101 
1 1 1 16  12  30 o 49.69152 6.037530  581.0752       101.8235 552.4817       
210.6987 589.7879       116.3068 47.26900 10.84200 52.11404 5.315832 -4.845039 
12.07506 
1 1 1 16  12  31 o 43.92049 7.290211  369.2762       118.8378 788.7547       
251.8923 249.1792       134.7802 55.87219 11.13308 31.96878 9.415051 23.90341 
14.58042 
1 1 1 16  12  32 o 33.12421 7.396021  289.0073       109.4502 201.4894       
239.4760 312.1155       123.0544 30.37100 12.22795 35.87743 8.323569 -5.506433 
14.79204 
1 1 1 16  12  33 o 23.51086 7.226757  26.57773       114.7397 166.4719       
234.2099 -17.60018      131.6158 28.52519 11.85777 18.49653 8.264214 10.02865 
14.45351 
1 1 1 16  12  34 o 19.02830 6.146996  -22.34007      99.52161 -78.25410      
196.6013 -3.075665      115.3994 20.31774 9.464352 17.73886 7.846545 2.578882 
12.29399 
1 1 1 16  12  35 o 25.55662 7.263268  151.3012       108.6180 101.9547       
244.4335 163.4427       121.2463 25.68018 11.38178 25.43306 9.026362 0.2471256 
14.52654 
1 1 1 16  12  36 o 27.62186 7.670904  64.42936       107.5719 563.4601       
264.7452 -34.25160      117.7284 38.88759 13.38257 16.35614 7.501853 22.53145 
15.34181 
1 1 1 16  12  37 o 23.68104 7.299139  22.79933       106.5107 441.4008       
255.2081 -65.49082      117.2061 32.28429 12.75681 15.07780 7.097434 17.20649 
14.59828 
1 1 1 16  13  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  13  1  o 214.4274 8.952200  9945.935       793.6749 9965.590       
1233.421 9932.045       1036.850 214.0468 13.72536 214.8081 11.49705 
-0.7613220     17.90440 
1 1 1 16  13  2  o 86.46957 7.553884  1585.801       274.2284 1585.801       
274.2284 0.000000       0.000000 86.46957 7.553884 ?        ?        ? ? 
1 1 1 16  13  3  o 40.44495 8.222152  340.5269       151.7184 212.6396       
202.1209 505.5881       229.6255 33.29815 11.67047 47.59176 11.58513 -14.29361 
16.44430 
1 1 1 16  13  4  o 69.26593 4.118207  1002.115       119.1060 885.0123       
159.6008 1149.308       178.9350 64.74412 5.871591 73.78773 5.776067 -9.043617 
8.236415 
1 1 1 16  13  5  o 37.95934 6.734972  333.0074       107.9567 398.5457       
137.7188 228.5425       173.8724 42.67680 7.982201 33.24188 10.85006 9.434921 
13.46994 
1 1 1 16  13  6  o 40.75189 6.903857  368.3014       116.6914 383.3456       
163.0399 352.5009       167.0878 41.62042 9.531103 39.88337 9.990548 1.737049 
13.80771 
1 1 1 16  13  7  o 43.82445 6.268135  429.3007       112.1664 317.3786       
165.8977 523.5480       152.2359 37.91978 10.19753 49.72912 7.291676 -11.80933 
12.53627 
1 1 1 16  13  8  o 74.79036 4.306486  1170.772       134.1455 1261.668       
205.7310 1103.543       176.9305 77.27438 6.341402 72.30634 5.828372 4.968040 
8.612972 
1 1 1 16  13  9  o 78.31751 4.535260  1273.750       147.7879 1520.404       
226.2530 1090.192       195.1801 84.82003 6.353557 71.81499 6.473536 13.00504 
9.070520 
1 1 1 16  13  10 o 61.34766 5.229333  796.5649       134.5282 815.6265       
195.9097 779.5567       185.0569 62.03140 7.522556 60.66393 7.266008 1.367466 
10.45867 
1 1 1 16  13  11 f 83.55933 4.593855  1468.389       160.6815 1623.151       
237.3391 1337.429       218.3256 87.60508 6.452990 79.51357 6.540102 8.091515 
9.187710 
1 1 1 16  13  12 o 159.5728 5.592259  5413.114       374.0440 5489.295       
516.7216 5329.250       542.1503 160.8129 7.653444 158.3326 8.155871 2.480240 
11.18452 
1 1 1 16  13  13 o 51.92554 6.123136  583.2771       130.1352 579.8864       
192.1779 586.1487       176.8537 51.35290 9.251302 52.49817 8.023999 -1.145275 
12.24627 
1 1 1 16  13  14 o 152.2967 5.985893  4946.575       382.6459 4872.680       
544.1829 5018.841       538.1537 151.1404 8.576013 153.4530 8.353184 -2.312607 
11.97179 
1 1 1 16  13  15 o 46.41194 7.099225  479.7195       134.2404 490.2386       
195.7703 470.3842       184.4263 46.86587 10.23246 45.95801 9.843410 0.9078598 
14.19845 
1 1 1 16  13  16 o 52.62994 6.551793  588.7379       138.6830 832.7238       
213.3539 410.2241       182.4963 62.46030 8.136123 42.79958 10.27168 19.66072 
13.10359 
1 1 1 16  13  17 o 94.41385 5.191189  1886.553       205.1064 2056.107       
305.1744 1746.865       276.9970 98.24837 7.398503 90.57932 7.283951 7.669052 
10.38238 
1 1 1 16  13  18 o 59.89771 5.975424  701.1071       140.3381 963.5988       
261.6581 595.1055       166.2772 66.95833 9.307877 52.83709 7.495745 14.12124 
11.95085 
1 1 1 16  13  19 o 37.50396 7.124129  257.2706       125.6470 75.48631       
159.8138 551.5162       203.3252 25.27408 10.06070 49.73385 10.08936 -24.45977 
14.24826 
1 1 1 16  13  20 o 59.11637 5.730849  715.1960       137.9897 625.8680       
171.6611 878.3317       231.9810 54.18806 7.545523 64.04469 8.627606 -9.856628 
11.46170 
1 1 1 16  13  21 o 113.6515 4.253098  2698.938       190.2956 2626.702       
230.4954 2853.576       337.2453 111.4851 4.924549 115.8179 6.935719 -4.332771 
8.506196 
1 1 1 16  13  22 o 142.6841 4.043709  4383.278       233.3923 4048.007       
376.9116 4591.782       297.2336 137.9835 6.506290 147.3847 4.803595 -9.401215 
8.087419 
1 1 1 16  13  23 o 117.8300 4.315574  3012.242       206.2417 2697.273       
327.5433 3219.154       265.4780 112.3981 6.941140 123.2620 5.130038 -10.86387 
8.631147 
1 1 1 16  13  24 o 117.8140 4.515627  2905.009       209.0235 3132.585       
373.2620 2801.039       252.2919 120.7789 7.361116 114.8490 5.232354 5.929924 
9.031254 
1 1 1 16  13  25 o 83.76959 4.796072  1484.931       146.9712 1553.619       
293.3336 1461.908       169.8253 84.58415 8.260263 82.95504 4.876192 1.629112 
9.592143 
1 1 1 16  13  26 o 71.55869 4.567759  1044.082       118.7398 1218.208       
245.5590 990.9433       135.6534 74.85586 7.813599 68.26151 4.733428 6.594345 
9.135517 
1 1 1 16  13  27 o 80.10545 4.711057  1457.335       146.4984 1178.760       
245.9101 1610.596       182.3984 73.35651 7.984703 86.85440 5.002076 -13.49789 
9.422114 
1 1 1 16  13  28 o 36.94139 7.871495  318.5044       125.0386 313.4374       
233.2225 320.5483       148.1267 36.83686 12.56614 37.04593 9.483339 
-0.2090683     15.74299 
1 1 1 16  13  29 o 28.60472 7.725747  143.7421       116.5335 199.8862       
229.8200 124.3105       135.2041 31.75098 12.20837 25.45845 9.471243 6.292528 
15.45149 
1 1 1 16  13  30 o 78.54910 4.660533  1227.162       133.9482 1657.401       
281.2642 1100.961       152.3320 85.77563 7.810370 71.32256 5.087277 14.45307 
9.321066 
1 1 1 16  13  31 o 29.36695 7.491813  82.55505       112.0481 430.3446       
234.2104 -20.67052      127.5973 40.22564 12.53371 18.50827 8.210671 21.71737 
14.98363 
1 1 1 16  13  32 o 82.48762 4.915421  1454.035       142.2474 1720.265       
307.5098 1381.559       160.4454 85.38191 8.578554 79.59332 4.801443 5.788589 
9.830841 
1 1 1 16  13  33 o 30.74007 7.129851  227.0144       95.55793 272.9942       
197.5185 212.9641       109.1862 32.12397 11.50874 29.35616 8.419502 2.767809 
14.25970 
1 1 1 16  13  34 o 35.71692 7.720664  340.2502       110.3269 365.1625       
263.7567 334.9669       121.4635 34.68050 13.15227 36.75334 8.090265 -2.072845 
15.44133 
1 1 1 16  13  35 o 19.05719 6.405135  -80.57401      104.3317 -7.331234      
243.6368 -97.02113      115.4531 23.32498 10.73741 14.78941 6.986483 8.535572 
12.81027 
1 1 1 16  13  36 f 28.67188 7.113876  243.0911       106.7537 166.5065       
211.6841 269.2116       123.6255 25.99553 11.06118 31.34824 8.948699 -5.352713 
14.22775 
1 1 1 16  13  37 o 16.90500 5.812500  -105.1657      111.1402 -264.9254      
255.7767 -67.98096      123.3984 18.36164 9.067271 15.44836 7.274970 2.913286 
11.62500 
1 1 1 16  14  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  14  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  14  2  o 44.19216 7.189564  443.1644       131.0467 350.8412       
195.2867 518.7948       176.7525 39.81497 11.20941 48.56935 9.006021 -8.754383 
14.37913 
1 1 1 16  14  3  o 94.93655 8.299271  1916.978       330.7899 0.000000       
0.000000 1916.978       330.7899 ?        ?        94.93655 8.299271 ? ? 
1 1 1 16  14  4  o 196.4337 10.71849  8271.689       883.9521 8271.689       
883.9521 0.000000       0.000000 196.4337 10.71849 ?        ?        ? ? 
1 1 1 16  14  5  o 72.15619 5.033439  1085.109       150.4773 1000.354       
194.7913 1210.541       236.9688 68.75139 6.748531 75.56100 7.469896 -6.809608 
10.06688 
1 1 1 16  14  6  o 123.0293 4.931496  3204.776       254.5105 3203.128       
367.4109 3206.296       352.8923 122.9773 7.116201 123.0813 6.829222 
-0.1040115     9.862991 
1 1 1 16  14  7  o 28.72243 7.112091  121.3155       122.8288 -84.38155      
187.2080 276.7936       162.7590 21.85102 9.807118 35.59384 10.30280 -13.74282 
14.22418 
1 1 1 16  14  8  o 39.50043 7.026779  335.8184       118.2028 464.0037       
178.3383 235.3850       157.8573 45.80595 9.583371 33.19492 10.27918 12.61104 
14.05356 
1 1 1 16  14  9  o 91.26727 4.637016  1657.382       166.6331 2066.084       
304.5879 1482.812       199.0642 98.72955 7.348296 83.80499 5.657759 14.92456 
9.274033 
1 1 1 16  14  10 o 145.5015 5.230211  4446.578       316.2907 4780.330       
489.5166 4207.383       414.4116 150.0685 7.769606 140.9345 7.003832 9.134033 
10.46042 
1 1 1 16  14  11 o 68.27429 4.833549  987.3698       138.4155 986.1833       
200.1021 988.4584       191.6684 68.22137 6.986380 68.32721 6.681561 
-0.1058426     9.667097 
1 1 1 16  14  12 o 25.60749 7.282467  67.85728       119.8235 61.68781       
174.6457 73.34428       164.7031 25.66041 10.39646 25.55457 10.20054 0.1058350 
14.56493 
1 1 1 16  14  13 o 56.67718 6.588087  715.2227       149.1274 556.9197       
218.1236 854.1591       204.3459 49.96737 10.70744 63.38699 7.678687 -13.41962 
13.17617 
1 1 1 16  14  14 o 31.12040 7.792479  181.8146       127.7184 215.4165       
184.6363 150.9847       176.8569 32.76618 11.18087 29.47462 10.85722 3.291555 
15.58496 
1 1 1 16  14  15 o 160.2409 5.641404  5509.702       361.5249 5354.687       
607.4493 5594.725       449.8745 158.0944 9.151974 162.3875 6.598722 -4.293152 
11.28281 
1 1 1 16  14  16 o 138.5027 4.548951  4080.495       263.8250 3814.375       
377.5485 4334.446       368.8146 134.0133 6.710363 142.9920 6.143521 -8.978745 
9.097902 
1 1 1 16  14  17 o 98.17506 5.032380  2045.551       204.0188 2082.274       
319.8592 2020.364       264.9011 98.79961 7.711249 97.55051 6.468079 1.249092 
10.06476 
1 1 1 16  14  18 o 152.6735 5.160749  4938.647       325.5511 4821.966       
422.1852 5109.791       511.3081 150.6408 6.675463 154.7062 7.872200 -4.065323 
10.32150 
1 1 1 16  14  19 o 165.4411 5.717456  5604.140       361.6054 5284.193       
425.0933 6441.764       687.8120 157.7847 6.417124 173.0975 9.464551 -15.31281 
11.43491 
1 1 1 16  14  20 o 120.2506 4.842865  2883.313       224.6008 2622.573       
264.1787 3563.243       426.6055 111.2928 5.653946 129.2084 7.864239 -17.91558 
9.685729 
1 1 1 16  14  21 o 69.17500 5.790473  996.5102       164.8985 761.5621       
216.2017 1323.265       254.9670 59.60983 8.638977 78.74018 7.712740 -19.13036 
11.58095 
1 1 1 16  14  22 o 22.22836 6.776716  6.267560       106.1930 -86.98653      
210.6805 38.02966       122.9547 23.18003 10.40369 21.27669 8.686702 1.903343 
13.55343 
1 1 1 16  14  23 o 150.8671 4.456424  4802.613       268.2719 4986.998       
460.6282 4707.967       330.0187 152.7202 7.184146 149.0140 5.275121 3.706146 
8.912848 
1 1 1 16  14  24 o 43.79412 6.489493  449.0916       113.8854 332.4220       
184.5304 520.8695       144.7386 38.28917 10.93395 49.29908 6.993051 -11.00991 
12.97899 
1 1 1 16  14  25 o 161.0964 5.505570  5593.874       326.8283 5658.872       
638.9091 5570.837       380.3607 160.5702 9.477528 161.6225 5.605506 -1.052292 
11.01114 
1 1 1 16  14  26 o 65.99802 5.636429  992.7011       130.6498 862.5052       
262.2706 1035.673       150.6759 62.29397 10.02824 69.70208 5.148956 -7.408108 
11.27286 
1 1 1 16  14  27 o 28.34404 7.552763  149.3721       113.6660 80.15414       
232.9427 171.0035       130.2214 28.48554 11.83249 28.20254 9.389837 0.2829933 
15.10553 
1 1 1 16  14  28 f 24.18472 7.262084  41.48726       118.7504 4.461672       
226.2244 55.56980       139.5176 25.71005 11.19556 22.65939 9.252609 3.050661 
14.52417 
1 1 1 16  14  29 o 34.42108 7.719283  266.6363       113.9968 304.7412       
227.7328 253.8958       131.6825 35.94777 12.40793 32.89439 9.186545 3.053371 
15.43857 
1 1 1 16  14  30 o 49.32090 6.878313  603.4203       118.9706 519.8600       
239.9821 630.6484       136.9892 44.99683 12.33890 53.64497 6.082450 -8.648136 
13.75663 
1 1 1 16  14  31 o 32.70233 7.460378  272.9155       115.0535 167.3413       
231.0840 307.7121       132.6659 29.71214 11.99146 35.69252 8.878850 -5.980389 
14.92076 
1 1 1 16  14  32 o 27.65383 7.688418  105.9857       111.8813 307.7859       
241.0432 50.57163       126.3118 34.35747 12.67321 20.95019 8.708435 13.40729 
15.37684 
1 1 1 16  14  33 o 83.00394 5.191504  1522.678       149.3057 1736.078       
324.0363 1465.160       168.2279 84.34869 9.150323 81.65919 4.906977 2.689499 
10.38301 
1 1 1 16  14  34 o 20.06516 6.644178  -151.9221      104.7213 148.3046       
240.5390 -222.1349      116.3239 27.64576 11.77800 12.48457 6.152975 15.16119 
13.28836 
1 1 1 16  14  35 o 17.91074 5.830129  -56.23023      103.4283 -580.5179      
260.1765 42.17463       112.7175 16.64806 8.376841 19.17341 8.111114 -2.525349 
11.66026 
1 1 1 16  14  36 f 25.17594 7.207367  153.4197       106.5577 117.7108       
246.6162 161.6166       118.1565 25.41710 11.33557 24.93478 8.904460 0.4823265 
14.41473 
1 1 1 16  14  37 o 23.40792 7.021704  137.8738       118.3985 19.00875       
254.7013 170.6393       133.7250 22.28119 10.48076 24.53465 9.347249 -2.253460 
14.04341 
1 1 1 16  15  0  o 34.37218 7.456494  253.2172       110.6407 242.0005       
209.3783 257.5627       130.3218 34.67550 11.90430 34.06886 8.982472 0.6066399 
14.91299 
1 1 1 16  15  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  15  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  15  3  o 50.15487 6.616389  552.8370       133.9317 526.9536       
182.8512 582.7972       196.7248 48.89049 9.245024 51.41924 9.467626 -2.528748 
13.23278 
1 1 1 16  15  4  o 104.8665 4.581018  2309.579       197.7990 2423.022       
315.1473 2235.844       254.0757 106.8953 7.022247 102.8376 5.884808 4.057686 
9.162036 
1 1 1 16  15  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  15  6  o 113.3685 5.690684  2738.373       266.9065 2770.185       
350.1765 2694.269       412.3157 114.2821 7.298440 112.4550 8.733172 1.827019 
11.38137 
1 1 1 16  15  7  o 57.43452 4.950653  701.7543       118.4788 674.4493       
176.7587 724.0300       159.6526 56.37889 7.467675 58.49014 6.501513 -2.111248 
9.901305 
1 1 1 16  15  8  o 101.4202 4.653151  2170.188       197.7994 2316.311       
289.8060 2042.755       270.6378 104.6032 6.599079 98.23707 6.561967 6.366173 
9.306302 
1 1 1 16  15  9  o 67.78101 4.719677  974.4519       134.0375 941.6199       
193.7121 1004.611       185.6594 66.66165 6.921525 68.90037 6.418247 -2.238716 
9.439354 
1 1 1 16  15  10 o 128.4554 5.291543  3502.655       285.1724 3508.840       
411.2178 3496.924       395.8124 128.5382 7.620101 128.3725 7.344096 0.1656494 
10.58309 
1 1 1 16  15  11 o 34.13489 7.519661  248.9198       119.7540 219.0545       
170.1290 278.2496       168.5969 32.56930 10.73263 35.70047 10.53527 -3.131172 
15.03932 
1 1 1 16  15  12 o 160.1495 5.504758  5457.883       366.5065 5475.462       
486.1743 5434.741       557.8173 160.5968 7.210676 159.7022 8.319592 0.8946075 
11.00952 
1 1 1 16  15  13 f 149.0652 5.753036  4737.403       351.7174 4725.407       
560.0515 4745.215       451.9593 148.6680 8.972875 149.4625 7.202582 
-0.7944794     11.50607 
1 1 1 16  15  14 o 55.18727 6.079319  652.2667       136.6092 782.0015       
204.2739 547.3007       183.7424 60.56256 8.033959 49.81199 9.126224 10.75058 
12.15864 
1 1 1 16  15  15 o 201.8234 5.620428  8585.604       468.4445 9248.074       
742.7795 8148.106       603.6223 207.9772 8.506780 195.6696 7.347894 12.30759 
11.24086 
1 1 1 16  15  16 o 95.81949 4.628160  1948.425       185.1588 1959.434       
277.0486 1939.538       248.9133 96.00803 6.873366 95.63094 6.199703 0.3770981 
9.256321 
1 1 1 16  15  17 o 72.72455 4.547333  1150.654       134.9633 1284.470       
178.4061 971.6081       206.3659 77.90566 5.454585 67.54344 7.277393 10.36222 
9.094666 
1 1 1 16  15  18 o 70.17541 5.080624  1040.441       147.8715 1000.106       
193.0142 1097.754       230.0783 68.60471 6.701259 71.74611 7.638331 -3.141403 
10.16125 
1 1 1 16  15  19 o 137.3967 4.974412  3964.291       276.1397 3832.773       
343.8275 4203.272       463.4789 134.4538 6.091002 140.3395 7.866308 -5.885773 
9.948825 
1 1 1 16  15  20 o 176.9756 6.500144  6736.968       478.8824 6815.178       
639.5892 6637.185       722.4379 178.4198 8.538453 175.5314 9.803178 2.888397 
13.00029 
1 1 1 16  15  21 o 127.5269 5.104157  3466.235       272.3102 3850.786       
389.4987 3098.559       380.8562 134.5306 6.896137 120.5232 7.526818 14.00743 
10.20831 
1 1 1 16  15  22 o 97.45981 4.195477  2102.694       150.5366 1830.382       
283.9076 2209.196       177.5504 92.60654 7.302245 102.3131 4.133439 -9.706535 
8.390953 
1 1 1 16  15  23 o 39.09779 6.686109  399.3428       117.6394 78.50846       
218.9792 529.4999       139.4750 28.37953 11.59065 49.81604 6.668809 -21.43650 
13.37222 
1 1 1 16  15  24 o 68.58099 4.911501  990.4366       129.2125 1052.205       
240.0104 965.2276       153.3291 69.78343 8.192169 67.37856 5.420308 2.404869 
9.823002 
1 1 1 16  15  25 o 94.61211 4.491180  1990.064       162.8701 1730.039       
286.9384 2113.662       197.8272 89.45023 7.640613 99.77397 4.722693 -10.32374 
8.982360 
1 1 1 16  15  26 o 76.73087 4.620899  1249.315       136.7439 1312.629       
250.8719 1222.552       163.1034 77.73263 7.687229 75.72911 5.130044 2.003517 
9.241798 
1 1 1 16  15  27 f 23.85933 7.254757  -5.782894      113.0636 103.8418       
233.0658 -39.52146      129.2967 29.22705 11.95068 18.49162 8.228439 10.73543 
14.50951 
1 1 1 16  15  28 o 109.4679 4.995390  2541.851       202.2121 2783.230       
400.3354 2459.173       234.2975 111.8801 8.522998 107.0558 5.212889 4.824234 
9.990781 
1 1 1 16  15  29 o 42.71044 7.132651  468.4462       116.7668 326.3975       
236.2093 514.3842       134.3273 36.94798 12.64636 48.47290 6.600646 -11.52491 
14.26530 
1 1 1 16  15  30 o 76.89308 4.828023  1145.078       131.1268 1641.048       
293.2795 1021.160       146.5953 85.08343 8.210276 68.70274 5.082380 16.38069 
9.656046 
1 1 1 16  15  31 o 27.11312 7.044153  157.8248       115.2459 -109.8331      
240.1277 237.9273       131.3637 22.85312 10.57358 31.37313 9.310195 -8.520016 
14.08831 
1 1 1 16  15  32 f 30.91295 7.590944  218.5588       102.8442 254.2201       
240.7063 210.5950       113.7495 32.35983 12.48341 29.46607 8.640260 2.893751 
15.18189 
1 1 1 16  15  33 o 67.21666 4.663733  1037.377       108.5639 1004.542       
226.6783 1047.151       123.6701 64.99666 8.306919 69.43666 4.242256 -4.440002 
9.327467 
1 1 1 16  15  34 o 46.02987 7.272521  634.4756       118.3399 420.7940       
268.0675 686.1984       131.8869 36.83707 13.38649 55.22267 5.688599 -18.38560 
14.54504 
1 1 1 16  15  35 o 27.72189 7.412675  195.3189       106.7191 158.1119       
248.2122 203.7567       118.2021 27.43484 11.83320 28.00894 8.931206 
-0.5741005     14.82535 
1 1 1 16  15  36 o 35.95361 7.847614  362.7702       114.7610 464.4314       
256.1958 337.2512       128.3591 36.25747 13.09548 35.64975 8.651513 0.6077118 
15.69523 
1 1 1 16  15  37 o 44.89538 7.026031  735.2681       133.5456 360.8094       
270.1667 856.3484       153.6266 30.13191 12.64278 59.65884 6.133561 -29.52693 
14.05206 
1 1 1 16  16  0  o 72.90218 4.791409  1065.356       141.5329 1387.024       
242.2481 898.6526       174.3927 80.73190 7.147206 65.07245 6.383403 15.65945 
9.582817 
1 1 1 16  16  1  o 173.4694 7.243350  6434.322       506.3448 6295.345       
630.3123 6687.191       850.2244 171.4723 8.755538 175.4665 11.54145 -3.994217 
14.48670 
1 1 1 16  16  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  16  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  16  4  o 67.08362 4.868475  957.8311       134.9661 938.2750       
209.0527 971.8080       176.7338 66.42759 7.495979 67.73965 6.214378 -1.312057 
9.736950 
1 1 1 16  16  5  o 35.59846 7.604882  267.5990       121.4161 230.2331       
156.3568 324.3542       192.7003 32.80202 10.24488 38.39491 11.24186 -5.592884 
15.20976 
1 1 1 16  16  6  f 58.07679 9.253716  721.2649       225.6305 0.000000       
0.000000 721.2649       225.6305 ?        ?        58.07679 9.253716 ? ? 
1 1 1 16  16  7  o 84.84470 8.393213  1534.064       298.9729 1534.064       
298.9729 0.000000       0.000000 84.84470 8.393213 ?        ?        ? ? 
1 1 1 16  16  8  o 114.4508 6.282315  2773.440       299.7500 2614.479       
396.8344 2984.635       457.4113 110.7369 8.535676 118.1646 9.220203 -7.427681 
12.56463 
1 1 1 16  16  9  o 107.2363 4.635190  2422.610       207.7117 2575.081       
312.3628 2301.745       278.1094 110.2140 6.750621 104.2587 6.353666 5.955246 
9.270381 
1 1 1 16  16  10 o 44.23976 6.914206  436.5214       123.1899 424.6552       
194.8147 444.4276       159.0188 43.57694 10.71020 44.90258 8.747377 -1.325645 
13.82841 
1 1 1 16  16  11 o 89.63699 4.602970  1700.367       170.9438 1718.156       
264.5948 1687.623       223.9574 89.97145 7.004830 89.30253 5.973415 0.6689224 
9.205940 
1 1 1 16  16  12 o 31.36317 7.486860  127.2263       127.5784 371.3610       
207.7263 -20.63416      161.6601 40.85480 11.57989 21.87154 9.493074 18.98326 
14.97372 
1 1 1 16  16  13 o 106.5913 4.347427  2405.717       194.4561 2513.859       
278.3723 2302.657       271.7521 108.9392 6.086433 104.2435 6.209335 4.695747 
8.694855 
1 1 1 16  16  14 o 54.62261 6.225456  637.4250       142.6192 673.9187       
207.0399 604.4714       196.7419 56.10918 8.789034 53.13604 8.819190 2.973141 
12.45091 
1 1 1 16  16  15 o 74.22112 5.275596  1197.975       160.0686 1043.055       
246.3985 1311.094       210.5479 69.83686 8.403775 78.60538 6.379986 -8.768524 
10.55119 
1 1 1 16  16  16 o 104.6576 4.131497  2318.107       181.4228 2216.367       
252.0378 2427.510       261.3571 102.2726 5.869853 107.0425 5.815659 -4.769897 
8.262994 
1 1 1 16  16  17 o 114.8489 4.493198  2807.801       212.7494 2844.603       
277.0077 2754.872       332.2042 115.8936 5.693161 113.8042 6.952929 2.089363 
8.986396 
1 1 1 16  16  18 o 97.45929 4.257478  2019.983       171.9980 2057.197       
227.1818 1970.006       263.2735 98.59441 5.488357 96.32417 6.510178 2.270241 
8.514956 
1 1 1 16  16  19 o 88.56959 5.147448  1673.949       189.6280 1970.589       
272.1897 1394.190       264.3319 96.30188 6.732215 80.83730 7.788591 15.46458 
10.29490 
1 1 1 16  16  20 o 128.6030 4.143174  3503.790       213.5100 3507.418       
360.2392 3501.826       265.0879 128.4738 6.678786 128.7321 4.904831 
-0.2583618     8.286347 
1 1 1 16  16  21 o 57.37022 5.523112  658.1616       122.4962 820.8709       
231.9361 595.2183       144.2569 61.81619 8.936905 52.92426 6.492364 8.891926 
11.04622 
1 1 1 16  16  22 o 122.4971 4.420948  3189.237       204.6274 3192.094       
384.6163 3188.109       241.6691 122.1970 7.497010 122.7971 4.687638 
-0.6000900     8.841895 
1 1 1 16  16  23 o 115.9927 4.146371  2815.823       179.3430 2962.060       
348.5479 2763.165       209.1550 117.6703 7.055318 114.3150 4.357987 3.355293 
8.292742 
1 1 1 16  16  24 o 61.78213 6.197180  877.5860       138.4285 750.0624       
252.5278 932.3672       165.5119 57.44776 10.86585 66.11649 5.962666 -8.668736 
12.39436 
1 1 1 16  16  25 o 77.77171 4.432178  1260.693       129.0796 1375.222       
251.0553 1219.538       150.4948 79.76791 7.496564 75.77551 4.730574 3.992393 
8.864356 
1 1 1 16  16  26 o 28.87716 7.363127  80.27697       106.5788 337.6708       
218.7669 0.1740374      122.0412 38.34904 12.14244 19.40526 8.332084 18.94378 
14.72625 
1 1 1 16  16  27 f 41.61316 6.340488  331.9578       95.99766 559.4828       
198.8378 262.8053       109.6196 49.19894 9.974219 34.02737 7.830842 15.17158 
12.68098 
1 1 1 16  16  28 o 37.50462 7.710330  312.9177       116.0627 375.1326       
233.3727 292.4731       133.7802 39.51486 12.54426 35.49437 8.968743 4.020485 
15.42066 
1 1 1 16  16  29 o 97.14552 5.107378  2108.058       180.6295 2028.604       
353.4464 2136.145       210.1443 94.65567 8.894016 99.63538 5.023715 -4.979706 
10.21476 
1 1 1 16  16  30 o 20.36867 5.915819  24.71034       90.86079 -261.0497      
187.2600 112.7033       103.9126 17.32321 8.380840 23.41413 8.351598 -6.090925 
11.83164 
1 1 1 16  16  31 o 52.57297 6.726932  654.8227       117.7329 672.9412       
255.5323 649.9401       132.6512 50.78189 12.13375 54.36406 5.811930 -3.582169 
13.45386 
1 1 1 16  16  32 o 51.11837 6.786425  577.4802       115.8230 758.2045       
263.0731 534.0262       128.9981 53.36996 12.02860 48.86679 6.287681 4.503170 
13.57285 
1 1 1 16  16  33 o 99.43892 5.570928  2198.163       169.7450 2508.108       
427.9494 2140.295       184.9132 99.76478 10.21730 99.11306 4.443837 0.6517181 
11.14186 
1 1 1 16  16  34 o 32.14762 7.307765  286.9727       107.7099 187.6840       
244.4315 310.8981       119.9875 28.94279 12.07773 35.35245 8.230563 -6.409657 
14.61553 
1 1 1 16  16  35 o 30.86112 7.080303  241.9162       92.11649 288.5099       
205.1185 230.1452       103.0977 31.55465 11.68041 30.16759 8.005669 1.387058 
14.16061 
1 1 1 16  16  36 o 51.58914 7.253909  764.0176       130.9205 681.2181       
263.2486 791.2264       150.9060 45.03175 13.12494 58.14654 6.181639 -13.11479 
14.50782 
1 1 1 16  16  37 o 42.44755 7.691378  590.6257       131.4935 552.0990       
277.9376 601.7358       149.2538 36.08815 13.54894 48.80695 7.283913 -12.71880 
15.38276 
1 1 1 16  17  0  o 24.27706 6.021295  111.8919       76.45654 86.42955       
113.0716 133.3402       103.7771 23.07845 8.646362 25.47567 8.382386 -2.397217 
12.04259 
1 1 1 16  17  1  o 84.91327 4.664990  1524.529       165.9129 1421.513       
225.6068 1645.863       244.8448 81.80813 6.568660 88.01840 6.625802 -6.210274 
9.329981 
1 1 1 16  17  2  o 216.0502 9.438979  10177.36       810.2582 9987.131       
994.0506 10553.96       1398.662 214.6353 11.03134 217.4650 15.31949 -2.829666 
18.87796 
1 1 1 16  17  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  17  4  o 68.65707 4.643202  978.4104       130.9976 1105.170       
212.6324 900.8676       166.3066 72.10894 7.023625 65.20519 6.075031 6.903748 
9.286405 
1 1 1 16  17  5  o 57.13419 5.817530  698.3629       139.0383 764.7948       
196.4426 631.6770       196.8177 59.90989 7.810130 54.35849 8.624180 5.551403 
11.63506 
1 1 1 16  17  6  o 130.7834 6.472834  3658.517       355.0803 3883.811       
511.7682 3449.384       493.0722 134.6900 9.050219 126.8767 9.256558 7.813225 
12.94567 
1 1 1 16  17  7  f 34.94197 8.703062  210.9714       159.5741 352.7353       
252.5170 116.7216       205.8961 40.53627 13.06694 29.34768 11.49905 11.18859 
17.40612 
1 1 1 16  17  8  o 71.18384 9.544375  1086.723       285.2383 0.000000       
0.000000 1086.723       285.2383 ?        ?        71.18384 9.544375 ? ? 
1 1 1 16  17  9  o 108.8816 5.875005  2460.305       263.7467 2901.957       
424.8144 2183.291       336.4424 116.5332 8.683013 101.2299 7.916313 15.30334 
11.75001 
1 1 1 16  17  10 o 118.5210 5.347478  2966.847       264.4861 2795.328       
351.6065 3190.385       401.3993 114.6597 7.304106 122.3823 7.812305 -7.722542 
10.69496 
1 1 1 16  17  11 o 41.69573 7.092517  365.3372       122.1279 529.0632       
197.0604 263.2362       155.6164 48.76645 9.969311 34.62501 10.09099 14.14145 
14.18503 
1 1 1 16  17  12 o 202.0006 5.959170  8738.902       501.8628 8536.733       
750.2863 8902.598       675.1304 199.6539 8.950974 204.3474 7.869364 -4.693451 
11.91834 
1 1 1 16  17  13 o 65.56086 5.517409  916.2002       151.5569 996.6724       
217.1210 839.7315       211.6514 68.39857 7.560941 62.72315 8.037375 5.675419 
11.03482 
1 1 1 16  17  14 o 60.23768 5.363951  771.2296       135.2724 856.9496       
196.5902 694.1473       186.4226 63.43184 7.382026 57.04351 7.784188 6.388332 
10.72790 
1 1 1 16  17  15 o 57.03649 5.127048  700.5042       119.5158 730.3154       
154.4166 655.9642       188.7469 58.66909 6.269107 55.40389 8.114478 3.265198 
10.25410 
1 1 1 16  17  16 f 69.58267 4.823435  1042.566       135.9844 1083.973       
173.1902 976.0024       219.5861 71.53290 5.766849 67.63245 7.733406 3.900444 
9.646871 
1 1 1 16  17  17 o 72.29144 4.636031  1055.761       136.5748 896.7664       
169.9257 1345.884       229.5407 65.01942 6.224968 79.56346 6.871746 -14.54404 
9.272061 
1 1 1 16  17  18 o 81.26515 3.887393  1400.820       124.8067 1387.884       
216.2806 1407.278       152.8179 80.87082 6.370107 81.65948 4.457472 
-0.7886658     7.774787 
1 1 1 16  17  19 o 46.42187 6.402967  461.7966       112.6087 495.5774       
207.4560 447.6858       134.0808 46.96419 10.74882 45.87955 6.960948 1.084633 
12.80593 
1 1 1 16  17  20 o 148.7751 4.349114  4726.881       262.0165 4574.541       
427.8000 4818.333       331.4606 146.6271 6.949406 150.9232 5.231149 -4.296097 
8.698228 
1 1 1 16  17  21 o 72.18829 4.628124  969.8594       124.9055 1430.530       
257.2935 827.8181       142.8701 81.85902 7.486579 62.51754 5.443276 19.34148 
9.256248 
1 1 1 16  17  22 o 111.5781 4.360947  2504.748       179.8313 2954.487       
363.6295 2359.141       206.9043 117.5406 7.368724 105.6156 4.666192 11.92501 
8.721894 
1 1 1 16  17  23 o 71.15115 4.869884  984.6874       133.5888 1341.121       
257.5184 853.4530       156.2583 78.97804 7.766457 63.32427 5.877518 15.65377 
9.739767 
1 1 1 16  17  24 o 73.00021 4.818661  1208.494       133.8147 973.6960       
233.0492 1323.980       163.4435 67.03323 8.280919 78.96719 4.929944 -11.93396 
9.637321 
1 1 1 16  17  25 o 44.66862 7.112050  492.6446       121.6367 339.6842       
232.2297 550.4730       142.7904 38.74545 12.53519 50.59180 6.722643 -11.84634 
14.22410 
1 1 1 16  17  26 o 79.32589 4.114868  1312.375       123.3167 1432.855       
236.4932 1267.383       144.5193 81.42294 6.918198 77.22884 4.457253 4.194092 
8.229736 
1 1 1 16  17  27 o 37.26868 7.135107  351.2236       115.4158 154.9702       
237.8714 411.6521       131.9940 31.06015 12.30236 43.47721 7.231251 -12.41706 
14.27021 
1 1 1 16  17  28 o 45.54021 7.082789  556.8284       122.1621 307.7187       
240.3837 643.5653       141.8443 36.59079 12.73651 54.48965 6.200388 -17.89886 
14.16558 
1 1 1 16  17  29 o 29.92604 7.048254  213.5621       112.5525 -30.23863      
233.0674 287.7112       128.5337 24.82709 11.04756 35.02499 8.755733 -10.19789 
14.09651 
1 1 1 16  17  30 o 61.37532 6.293381  907.1296       128.5040 805.8971       
263.1656 938.8246       147.2529 56.99599 11.40063 65.75465 5.334065 -8.758659 
12.58676 
1 1 1 16  17  31 o 58.44192 5.035122  777.9712       101.8349 748.5187       
212.9864 786.6995       115.9468 56.55996 8.969411 60.32388 4.578155 -3.763927 
10.07024 
1 1 1 16  17  32 o 34.46669 7.672478  280.5326       107.1636 353.1421       
239.9829 262.4478       119.7680 36.14170 12.71185 32.79168 8.595148 3.350018 
15.34496 
1 1 1 16  17  33 o 79.32817 4.932488  1360.506       133.8798 1599.781       
298.2335 1300.119       149.8246 81.53400 8.712417 77.12233 4.627260 4.411674 
9.864976 
1 1 1 16  17  34 o 69.86626 5.028234  1026.702       119.7858 1352.879       
274.4797 949.9658       133.1327 74.14001 8.818174 65.59252 4.834497 8.547485 
10.05647 
1 1 1 16  17  35 o 22.62901 6.808317  74.12946       115.0971 -151.7430      
245.6364 137.6720       130.2847 20.93288 10.00337 24.32515 9.238247 -3.392273 
13.61663 
1 1 1 16  17  36 o 26.55074 7.397647  188.9410       122.1472 68.22031       
249.1698 227.1287       140.1413 24.51983 11.13621 28.58164 9.740920 -4.061804 
14.79529 
1 1 1 16  17  37 o 48.97542 7.532759  640.5347       131.0905 926.8259       
280.8412 560.7801       148.2296 51.08328 13.04683 46.86756 7.533270 4.215725 
15.06552 
1 1 1 16  18  0  o 46.51744 4.261478  445.4383       80.27897 508.1764       
135.8930 411.8065       99.49631 48.91434 6.617318 44.12054 5.371396 4.793800 
8.522957 
1 1 1 16  18  1  o 30.91205 5.461538  189.1177       74.46149 343.9630       
119.0268 89.55193       95.44444 39.56123 7.439732 22.26286 7.997749 17.29837 
10.92308 
1 1 1 16  18  2  o 122.9830 5.073837  3190.348       254.3188 3100.128       
321.0412 3342.349       416.7095 120.8613 6.326951 125.1048 7.933789 -4.243416 
10.14767 
1 1 1 16  18  3  o 35.13309 7.267114  270.3964       113.6681 293.4490       
168.4338 251.1174       154.0319 36.39588 10.46336 33.87029 10.08772 2.525585 
14.53423 
1 1 1 16  18  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  18  5  o 99.86560 5.598469  2128.256       234.3423 2294.139       
334.9915 1969.281       327.9412 103.7219 7.692797 96.00929 8.135865 7.712616 
11.19694 
1 1 1 16  18  6  o 36.43516 8.483649  278.2112       148.5342 283.7675       
233.1397 274.4149       192.7068 37.09755 12.56392 35.77277 11.40339 1.324780 
16.96730 
1 1 1 16  18  7  o 179.3373 8.115181  6953.006       609.6352 6407.982       
832.4602 7583.378       895.2710 171.7557 11.54445 186.9189 11.40834 -15.16315 
16.23036 
1 1 1 16  18  8  o 115.4930 6.201829  2855.807       299.8339 2855.711       
408.8295 2855.918       441.0606 115.5780 8.425352 115.4080 9.102978 0.1700439 
12.40366 
1 1 1 16  18  9  o 121.0350 6.376916  3116.916       322.7267 3405.588       
483.7004 2885.307       433.2628 126.0139 9.142793 116.0560 8.892109 9.957916 
12.75383 
1 1 1 16  18  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  18  11 o 53.98895 7.233880  648.5183       157.5350 640.1439       
231.7239 655.7149       214.8122 53.54826 10.68568 54.42963 9.753582 
-0.8813782     14.46776 
1 1 1 16  18  12 o 215.3935 7.777346  9991.991       692.8757 10418.24       
1085.531 9698.947       900.0698 218.7208 11.82152 212.0662 10.10941 6.654678 
15.55469 
1 1 1 16  18  13 o 73.58050 4.492790  1145.363       138.2016 1111.702       
185.9276 1186.923       206.5952 72.40553 6.116361 74.75546 6.582612 -2.349930 
8.985580 
1 1 1 16  18  14 o 70.41064 4.247371  1010.212       122.8961 855.4645       
155.6024 1266.805       200.3675 63.54132 5.832854 77.27998 6.175632 -13.73866 
8.494741 
1 1 1 16  18  15 o 157.8953 5.081823  5253.671       313.1834 5162.452       
377.3250 5455.681       561.5131 156.1108 5.757098 159.6798 8.375889 -3.569000 
10.16365 
1 1 1 16  18  16 o 130.3745 4.585088  3509.464       217.2439 3414.159       
249.3441 3809.772       442.6144 127.1555 4.670732 133.5934 7.891539 -6.437828 
9.170176 
1 1 1 16  18  17 f 230.8803 7.291655  11584.50       664.7526 11279.50       
1145.054 11739.54       816.4188 227.4405 11.99166 234.3200 8.298979 -6.879501 
14.58331 
1 1 1 16  18  18 o 50.72987 5.425371  503.2558       107.7019 679.2490       
201.3325 432.7023       127.4750 56.33399 8.512645 45.12574 6.728556 11.20826 
10.85074 
1 1 1 16  18  19 o 92.39902 4.053518  1805.424       147.2378 1817.348       
258.6310 1799.706       179.0926 92.47824 6.661346 92.31979 4.620659 0.1584549 
8.107036 
1 1 1 16  18  20 o 128.2218 4.107990  3353.066       197.1687 3779.924       
387.1143 3203.544       229.1136 133.2608 6.919232 123.1828 4.430186 10.07803 
8.215980 
1 1 1 16  18  21 o 61.23357 5.812898  853.9191       128.1955 724.4873       
235.5123 908.4152       152.8186 57.00661 10.20977 65.46052 5.560552 -8.453907 
11.62580 
1 1 1 16  18  22 o 33.18190 7.339172  183.0591       103.9084 387.4859       
210.2696 117.0080       119.5219 41.32307 11.63066 25.04072 8.954415 16.28236 
14.67834 
1 1 1 16  18  23 o 124.4902 4.599898  3407.494       222.8185 3042.452       
385.4636 3590.683       273.0622 118.8857 7.722804 130.0948 4.999455 -11.20918 
9.199796 
1 1 1 16  18  24 o 72.17091 4.880057  1111.789       137.6362 1139.467       
245.1610 1099.050       166.3204 72.52256 8.051919 71.81927 5.516016 0.7032852 
9.760115 
1 1 1 16  18  25 o 117.1785 3.351558  2901.737       154.8130 2968.214       
271.4717 2869.698       188.4619 117.9203 5.483489 116.4366 3.855273 1.483742 
6.703117 
1 1 1 16  18  26 o 25.86694 6.922431  117.3940       96.61373 81.30380       
187.2141 130.4944       112.7937 26.43614 10.74373 25.29774 8.732267 1.138401 
13.84486 
1 1 1 16  18  27 o 41.92653 6.920493  481.3199       117.9234 186.8275       
235.1836 580.2247       136.2945 32.02557 12.34251 51.82748 6.263821 -19.80191 
13.84099 
1 1 1 16  18  28 o 65.40799 5.357522  931.6168       130.1874 968.7275       
252.3147 918.1522       151.9806 65.55649 9.167438 65.25950 5.547095 0.2969894 
10.71504 
1 1 1 16  18  29 o 35.65441 6.728125  343.3562       111.8354 63.28503       
230.7021 429.3880       127.8635 27.16590 11.55292 44.14292 6.899325 -16.97702 
13.45625 
1 1 1 16  18  30 o 83.15872 5.184062  1618.239       142.6846 1420.246       
308.6468 1672.053       160.9112 78.09127 9.414135 88.22618 4.344202 -10.13491 
10.36812 
1 1 1 16  18  31 o 25.54700 6.918550  107.3658       86.62289 196.3505       
194.3180 85.29739       96.76989 29.82038 11.29489 21.27361 7.993168 8.546770 
13.83710 
1 1 1 16  18  32 o 67.80675 4.472729  959.4980       107.0702 1169.783       
231.5499 902.3063       120.7556 71.12575 7.754231 64.48774 4.460169 6.638008 
8.945457 
1 1 1 16  18  33 o 27.52944 7.224644  125.2418       99.74692 324.1281       
204.3869 63.06309       114.2803 34.43166 11.76369 20.62721 8.390328 13.80445 
14.44929 
1 1 1 16  18  34 o 33.04566 7.565977  304.6821       115.3389 233.2234       
247.9190 324.4206       130.2984 30.33589 12.35178 35.75543 8.741261 -5.419542 
15.13195 
1 1 1 16  18  35 o 33.29044 7.579900  308.2982       116.0811 331.0299       
205.8170 297.6942       140.5725 33.32308 11.76699 33.25780 9.558114 
0.6528091E-01  15.15980 
1 1 1 16  18  36 o 25.69505 7.501570  157.3457       121.3535 141.9944       
249.6307 162.0963       138.8667 26.21728 11.57590 25.17281 9.544249 1.044468 
15.00314 
1 1 1 16  18  37 o 68.65825 5.371284  1127.922       136.4227 1391.139       
271.8349 1039.310       157.7233 70.89360 9.133122 66.42289 5.655868 4.470711 
10.74257 
1 1 1 16  19  0  f 51.56757 3.783703  562.7992       81.58974 498.8045       
113.9275 630.1776       116.9006 48.53871 5.590639 54.59643 5.100039 -6.057720 
7.567407 
1 1 1 16  19  1  o 90.49567 3.114402  1725.889       118.1391 1690.672       
161.9051 1765.992       172.7718 89.51984 4.307866 91.47149 4.498920 -1.951645 
6.228803 
1 1 1 16  19  2  o 131.6094 4.105702  3532.682       210.7773 4037.610       
386.5361 3319.005       251.4514 137.8619 6.678315 125.3569 4.777789 12.50500 
8.211404 
1 1 1 16  19  3  f 102.4733 4.968401  2109.150       195.9277 2549.159       
372.1358 1940.406       230.4548 109.2280 8.114999 95.71847 5.734705 13.50957 
9.936803 
1 1 1 16  19  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  19  5  o 145.0454 6.634581  4517.533       403.0477 4604.794       
593.0842 4442.650       549.4091 146.2424 9.659711 143.8484 9.097288 2.394043 
13.26916 
1 1 1 16  19  6  o 67.42654 6.602958  954.7189       184.3955 773.4193       
242.2336 1204.542       284.3496 59.94004 9.625834 74.91306 9.040994 -14.97302 
13.20592 
1 1 1 16  19  7  o 93.97881 6.087083  1890.543       239.9988 1862.820       
332.2429 1920.793       347.0609 93.28583 8.483226 94.67178 8.731850 -1.385956 
12.17417 
1 1 1 16  19  8  o 104.6692 5.800318  2330.795       251.7861 2271.573       
329.4923 2413.917       390.3528 103.2120 7.603893 106.1264 8.761026 -2.914345 
11.60064 
1 1 1 16  19  9  o 100.0966 5.411303  2134.287       226.1685 2161.902       
338.8294 2112.095       303.7409 100.6018 8.022252 99.59132 7.264451 1.010498 
10.82261 
1 1 1 16  19  10 o 75.05643 5.786014  1207.944       181.6040 1257.731       
249.4576 1151.807       264.8902 76.77824 7.738908 73.33463 8.603553 3.443619 
11.57203 
1 1 1 16  19  11 o 73.99738 7.648825  1167.889       237.6238 0.000000       
0.000000 1167.889       237.6238 ?        ?        73.99738 7.648825 ? ? 
1 1 1 16  19  12 o 26.81127 10.94414  64.27635       195.1242 64.27635       
195.1242 0.000000       0.000000 26.81127 10.94414 ?        ?        ? ? 
1 1 1 16  19  13 o 226.2247 7.848545  10491.85       507.5916 10272.77       
543.5413 11985.59       1419.287 220.1727 5.880174 232.2767 14.55411 -12.10402 
15.69709 
1 1 1 16  19  14 o 59.68204 5.183519  721.7683       124.0279 643.5200       
151.0512 883.6946       217.2926 55.04768 6.535913 64.31639 8.047194 -9.268707 
10.36704 
1 1 1 16  19  15 o 102.2560 4.446449  2187.760       189.1588 2002.427       
247.9843 2445.640       292.5203 97.18427 6.077839 107.3277 6.491803 -10.14340 
8.892898 
1 1 1 16  19  16 o 152.7007 4.669938  4962.943       281.9722 4919.703       
487.6589 4984.660       345.6034 151.8979 7.646898 153.5034 5.362670 -1.605438 
9.339876 
1 1 1 16  19  17 o 116.2957 3.707945  2873.878       168.7187 2822.007       
297.2017 2898.542       204.9443 115.3590 6.136505 117.2325 4.163982 -1.873566 
7.415891 
1 1 1 16  19  18 o 200.4803 6.415590  8701.023       522.1252 8328.328       
843.8399 8932.228       664.6292 196.3650 10.23569 204.5956 7.737561 -8.230652 
12.83118 
1 1 1 16  19  19 o 81.59479 4.343883  1403.689       135.4795 1434.802       
251.1845 1390.925       160.8879 82.04906 7.291893 81.14052 4.722877 0.9085464 
8.687766 
1 1 1 16  19  20 o 79.89053 4.696126  1272.360       139.2051 1545.111       
281.3740 1183.966       160.1817 84.98044 7.886532 74.80064 5.100687 10.17980 
9.392251 
1 1 1 16  19  21 o 207.1094 6.512090  9269.795       537.5004 9265.654       
915.2347 9271.975       664.0869 206.1301 10.57578 208.0888 7.601464 -1.958755 
13.02418 
1 1 1 16  19  22 o 59.24375 4.545847  709.4596       106.9512 871.2711       
191.5030 636.1130       128.9321 63.78046 7.151697 54.70704 5.613566 9.073414 
9.091694 
1 1 1 16  19  23 o 160.4344 4.497982  5521.931       288.8091 5438.740       
486.1016 5567.320       359.0516 159.0456 7.279917 161.8233 5.284902 -2.777695 
8.995964 
1 1 1 16  19  24 o 126.7038 4.331377  3495.676       204.6848 3301.915       
386.4443 3571.231       241.3141 123.6393 7.444772 129.7684 4.429297 -6.129074 
8.662754 
1 1 1 16  19  25 o 84.05182 4.502549  1555.435       141.6145 1432.847       
263.9251 1605.000       167.8184 81.20132 7.741743 86.90231 4.599698 -5.700989 
9.005098 
1 1 1 16  19  26 o 39.54662 6.509907  389.6784       101.2748 250.5454       
192.5845 442.8619       119.0679 33.75091 11.41899 45.34232 6.254782 -11.59142 
13.01981 
1 1 1 16  19  27 o 37.94413 7.259274  352.4310       107.6006 265.7945       
234.5219 375.5311       121.0988 34.98912 12.53999 40.89915 7.316892 -5.910030 
14.51855 
1 1 1 16  19  28 o 70.39674 5.486696  1116.363       131.4803 1061.453       
281.2793 1131.715       148.7289 68.15578 9.830059 72.63771 4.877016 -4.481926 
10.97339 
1 1 1 16  19  29 o 21.46849 6.707868  8.491043       99.13731 -60.16090      
227.3695 24.60632       110.1602 23.71703 10.71782 19.21995 8.069102 4.497087 
13.41574 
1 1 1 16  19  30 o 34.64179 6.094634  336.9216       96.56942 61.09389       
192.7205 429.3977       111.5896 25.06233 10.60432 44.22126 6.010544 -19.15893 
12.18927 
1 1 1 16  19  31 o 20.32019 6.271496  20.66234       83.91691 -2.411845      
190.8266 26.19432       93.43640 22.78741 10.08358 17.85298 7.459767 4.934433 
12.54299 
1 1 1 16  19  32 o 26.77971 6.238629  175.0344       97.22777 -94.27243      
193.6283 265.8313       112.4295 20.41589 9.464622 33.14353 8.130371 -12.72764 
12.47726 
1 1 1 16  19  33 o 45.96026 7.235842  520.8948       114.5111 586.2606       
257.2453 504.7417       127.8797 44.79961 12.94777 47.12091 6.464113 -2.321297 
14.47168 
1 1 1 16  19  34 o 23.18141 7.153744  60.33100       116.1367 45.00952       
243.5643 64.83952       132.1236 25.02502 11.21008 21.33780 8.890355 3.687216 
14.30749 
1 1 1 16  19  35 o 31.74528 7.616170  292.6232       119.6846 215.5797       
244.6917 316.8517       137.2193 28.97125 12.08653 34.51930 9.270386 -5.548054 
15.23234 
1 1 1 16  19  36 o 26.58499 7.765823  113.6727       121.1071 386.4041       
256.4258 35.37284       137.3962 33.33152 12.87913 19.83845 8.681019 13.49307 
15.53165 
1 1 1 16  19  37 o 21.45578 6.730122  71.21365       120.5500 -105.7371      
252.3759 123.5211       137.2156 20.40247 9.843081 22.50910 9.181064 -2.106636 
13.46024 
1 1 1 16  20  0  o 114.8673 2.958755  2787.470       141.9503 2818.556       
191.8689 2749.880       210.9863 115.6075 3.953118 114.1271 4.403384 1.480400 
5.917511 
1 1 1 16  20  1  o 83.85858 3.166946  1487.209       110.9645 1455.541       
164.2018 1513.828       150.5416 83.01028 4.711585 84.70689 4.233103 -1.696602 
6.333892 
1 1 1 16  20  2  o 159.8411 4.062359  5411.809       272.6102 5387.653       
385.5824 5435.953       385.4756 159.4810 5.758763 160.2012 5.731290 
-0.7201385     8.124718 
1 1 1 16  20  3  o 57.29833 6.108675  659.1606       140.8100 863.2487       
246.0419 559.7593       171.7103 63.39824 9.243851 51.19842 7.988419 12.19981 
12.21735 
1 1 1 16  20  4  o 151.9019 6.148448  4873.799       367.7887 5141.639       
650.4609 4747.925       445.9138 154.4247 10.03288 149.3792 7.110200 5.045425 
12.29690 
1 1 1 16  20  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  20  6  o 163.7756 7.693984  5793.920       497.1820 5761.557       
607.2336 5859.741       865.9777 163.9543 8.821734 163.5968 12.60819 0.3575134 
15.38797 
1 1 1 16  20  7  o 141.9122 6.185972  4269.420       347.9961 4177.561       
425.0843 4456.084       605.9589 140.0808 7.227990 143.7435 10.04097 -3.662750 
12.37194 
1 1 1 16  20  8  o 85.25622 5.568028  1555.603       198.7550 1638.519       
276.4574 1466.897       285.9468 87.67779 7.510343 82.83465 8.222318 4.843140 
11.13606 
1 1 1 16  20  9  o 32.78322 8.290718  197.2534       147.2572 271.2318       
208.0701 123.0141       208.4366 35.92690 11.86921 29.63954 11.57868 6.287354 
16.58144 
1 1 1 16  20  10 o 57.16012 5.921481  699.6931       141.4314 615.7104       
197.9100 787.3448       202.1868 53.59566 8.795472 60.72458 7.930663 -7.128918 
11.84296 
1 1 1 16  20  11 o 98.51184 5.332837  2068.541       220.5416 2032.021       
310.6332 2105.660       313.1682 97.62778 7.578714 99.39590 7.504645 -1.768127 
10.66567 
1 1 1 16  20  12 o 142.9020 5.952770  4369.734       357.0775 4441.394       
503.5821 4297.271       506.3974 144.1108 8.323288 141.6932 8.512623 2.417526 
11.90554 
1 1 1 16  20  13 o 67.32140 8.804497  971.2919       248.8494 0.000000       
0.000000 971.2919       248.8494 ?        ?        67.32140 8.804497 ? ? 
1 1 1 16  20  14 o 122.5993 5.606867  2875.377       226.3395 3774.731       
550.8987 2692.734       248.2608 132.3564 9.913978 112.8423 5.240311 19.51403 
11.21373 
1 1 1 16  20  15 o 95.74629 3.902226  1946.476       153.7203 1907.797       
241.5197 1972.814       199.3002 94.86320 6.064234 96.62939 4.912692 -1.766197 
7.804452 
1 1 1 16  20  16 o 60.03536 4.943949  811.1280       109.9589 667.6905       
201.8340 871.6704       131.1272 55.83759 8.609713 64.23313 4.862445 -8.395538 
9.887897 
1 1 1 16  20  17 o 37.43913 6.878373  303.8025       101.9075 330.8690       
189.2723 292.7530       120.9328 38.56655 11.09317 36.31171 8.135704 2.254845 
13.75675 
1 1 1 16  20  18 o 36.33328 7.106458  307.6092       109.8373 213.4890       
201.0586 347.6471       131.1344 33.05261 11.63435 39.61395 8.163885 -6.561340 
14.21292 
1 1 1 16  20  19 o 162.9650 5.227341  5658.787       330.2223 5692.695       
594.6189 5643.666       397.0851 162.8009 8.699673 163.1290 5.797937 
-0.3280640     10.45468 
1 1 1 16  20  20 o 60.36167 5.105825  790.3078       118.5115 747.3105       
212.8965 809.6140       142.6579 58.93446 8.604396 61.78889 5.499289 -2.854435 
10.21165 
1 1 1 16  20  21 o 143.0777 4.265512  4415.514       242.4885 4168.189       
409.7722 4548.798       300.8127 139.6168 6.990785 146.5386 4.889507 -6.921860 
8.531023 
1 1 1 16  20  22 o 168.9449 4.486472  6111.632       309.8567 6024.861       
496.1886 6167.101       396.7201 167.6193 7.050889 170.2704 5.549656 -2.651138 
8.972944 
1 1 1 16  20  23 o 50.88317 5.699982  582.1657       104.7625 540.1915       
196.6510 598.7987       123.7912 48.75987 9.950681 53.00648 5.562653 -4.246613 
11.39996 
1 1 1 16  20  24 o 34.57056 5.801973  325.2375       99.75679 -61.96502      
191.4599 469.5229       116.8746 22.30337 9.966239 46.83775 5.943539 -24.53438 
11.60395 
1 1 1 16  20  25 o 118.5078 3.635081  2932.969       161.2000 3138.472       
312.6735 2858.574       188.1293 120.8568 6.162272 116.1587 3.857675 4.698120 
7.270162 
1 1 1 16  20  26 o 14.26190 4.916837  -220.7286      93.34960 -537.3472      
188.0513 -117.1957      107.5343 14.18876 7.139274 14.33503 6.762537 
-0.1462774     9.833673 
1 1 1 16  20  27 o 88.39453 4.415599  1661.805       136.4028 1749.294       
290.7081 1637.106       154.4613 89.10851 7.770680 87.68056 4.196021 1.427948 
8.831199 
1 1 1 16  20  28 o 62.50610 5.228563  796.7586       110.6238 983.2834       
254.5989 753.3488       122.8237 65.79869 9.216380 59.21351 4.940632 6.585178 
10.45713 
1 1 1 16  20  29 o 21.42499 6.608887  23.90098       95.51774 -100.8501      
228.2580 50.38386       105.1687 22.79881 10.45220 20.05117 8.090794 2.747643 
13.21777 
1 1 1 16  20  30 o 39.65173 6.472650  351.1833       90.24091 413.3364       
201.0313 335.4987       100.9873 40.29384 11.38240 39.00963 6.166175 1.284206 
12.94530 
1 1 1 16  20  31 o 24.97924 6.276170  143.7311       83.13506 -25.14323      
192.1077 182.6445       92.21729 22.17042 9.942932 27.78806 7.661549 -5.617634 
12.55234 
1 1 1 16  20  32 o 55.53805 7.031470  870.3295       121.6734 589.0956       
265.2476 945.2775       136.9297 45.38826 13.15726 65.68784 4.965167 -20.29958 
14.06294 
1 1 1 16  20  33 o 37.44442 7.909513  347.3366       117.6217 466.6172       
250.5641 313.6223       133.2113 39.65252 13.02496 35.23632 8.977307 4.416191 
15.81903 
1 1 1 16  20  34 o 25.28452 6.666690  130.1865       118.9810 -298.9282      
248.0656 258.3998       135.5959 19.18898 9.366906 31.38006 9.488946 -12.19108 
13.33338 
1 1 1 16  20  35 o 39.50349 6.927696  505.3564       119.7659 210.6879       
260.6456 584.2238       134.8443 28.89520 12.28382 50.11179 6.409345 -21.21659 
13.85539 
1 1 1 16  20  36 o 27.09258 7.615452  84.22694       112.8962 474.7323       
250.8021 -15.00737      126.4296 36.61557 12.98339 17.56958 7.963174 19.04598 
15.23090 
1 1 1 16  20  37 f 33.44423 8.183712  309.7070       117.6941 611.9650       
264.5841 235.1454       131.4113 38.80139 13.37602 28.08706 9.432638 10.71433 
16.36742 
1 1 1 16  21  0  o 72.29723 3.447340  1102.411       104.2465 1149.565       
155.4835 1063.905       140.5054 73.67796 5.026524 70.91648 4.719182 2.761482 
6.894681 
1 1 1 16  21  1  o 80.42360 3.259281  1369.162       109.6290 1338.305       
161.2142 1395.705       149.5229 79.55333 4.826874 81.29388 4.380975 -1.740547 
6.518562 
1 1 1 16  21  2  o 15.59173 5.093205  -109.0359      76.23647 -25.73663      
123.8041 -159.9147      96.75711 18.78928 8.231037 12.39419 6.001081 6.395091 
10.18641 
1 1 1 16  21  3  o 113.1976 3.646000  2709.928       173.1519 2717.664       
249.7543 2702.770       240.2687 113.3378 5.248793 113.0575 5.061961 0.2802124 
7.292000 
1 1 1 16  21  4  o 56.70369 6.090930  692.1910       139.2587 881.5284       
206.9436 535.4948       188.2623 64.28001 7.668266 49.12736 9.465487 15.15265 
12.18186 
1 1 1 16  21  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  21  6  o 32.16091 8.129012  162.3661       143.5522 50.85848       
188.1042 317.8799       222.1420 25.95677 10.69531 38.36506 12.24474 -12.40828 
16.25802 
1 1 1 16  21  7  o 115.0522 5.405524  2813.978       257.3469 2772.610       
335.5939 2873.030       400.9531 114.1730 7.001187 115.9313 8.237849 -1.758331 
10.81105 
1 1 1 16  21  8  o 92.83591 5.486843  1801.952       208.3307 1686.266       
262.7397 1997.851       341.9012 89.03590 7.028806 96.63590 8.427197 -7.599998 
10.97369 
1 1 1 16  21  9  o 117.2105 5.454671  2927.644       267.4915 2900.457       
362.7900 2960.030       395.9635 116.6873 7.405474 117.7338 8.010788 -1.046471 
10.90934 
1 1 1 16  21  10 o 39.77547 8.295725  351.7931       148.5486 310.1339       
216.0523 389.1443       204.5762 37.90435 12.07352 41.64658 11.38009 -3.742233 
16.59145 
1 1 1 16  21  11 o 57.60943 6.420906  731.7084       148.5544 576.0281       
211.0277 884.6452       209.1601 50.81896 10.25022 64.39990 7.735968 -13.58094 
12.84181 
1 1 1 16  21  12 o 40.03101 7.517755  389.4345       114.9616 196.0803       
278.9658 428.9883       126.1735 35.12625 13.46614 44.93576 6.688013 -9.809509 
15.03551 
1 1 1 16  21  13 o 93.39656 6.432883  1844.004       248.7669 2038.821       
392.2649 1712.939       321.7431 97.34492 9.598142 89.44820 8.567590 7.896721 
12.86577 
1 1 1 16  21  14 o 27.82829 7.828446  52.26538       112.2854 220.4873       
258.5818 13.17433       124.6509 35.29221 13.10445 20.36436 8.568062 14.92785 
15.65689 
1 1 1 16  21  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  21  16 o 170.3105 6.088958  6015.620       366.0729 6595.896       
778.5363 5850.907       414.7870 174.4987 10.62692 166.1223 5.947278 8.376419 
12.17792 
1 1 1 16  21  17 o 147.4269 4.258875  4547.685       243.8339 4778.261       
442.6239 4447.225       292.1627 149.7894 7.038412 145.0644 4.797169 4.725067 
8.517751 
1 1 1 16  21  18 o 139.4477 4.153603  4108.607       233.6630 4187.525       
390.0771 4064.442       291.8103 140.2874 6.622973 138.6080 5.014568 1.679398 
8.307206 
1 1 1 16  21  19 o 107.6742 4.048292  2396.721       167.8804 2622.193       
312.1340 2304.949       199.1363 110.9256 6.702400 104.4228 4.542302 6.502777 
8.096584 
1 1 1 16  21  20 o 65.96820 4.572360  944.9070       112.6847 889.6904       
212.1568 966.6055       132.9951 64.35803 7.851908 67.57837 4.687583 -3.220337 
9.144720 
1 1 1 16  21  21 o 31.94380 6.633712  240.6743       97.17834 112.4999       
178.1456 294.9727       115.9492 27.54332 10.71569 36.34428 7.822944 -8.800966 
13.26742 
1 1 1 16  21  22 o 70.21735 3.996802  1013.783       107.0012 1139.885       
203.5584 965.6362       125.7804 72.92651 6.648514 67.50819 4.437900 5.418320 
7.993604 
1 1 1 16  21  23 o 59.12924 4.460156  713.4137       98.65472 830.6113       
194.9729 673.0818       114.3772 61.98352 7.492369 56.27497 4.841114 5.708549 
8.920312 
1 1 1 16  21  24 f 73.08917 3.696200  1180.011       105.6041 1019.388       
179.3356 1265.275       130.6605 68.91001 6.198766 77.26833 4.027763 -8.358322 
7.392400 
1 1 1 16  21  25 o 83.05844 3.987866  1485.312       123.0704 1463.586       
236.3272 1493.396       144.1609 82.23485 6.845087 83.88203 4.093544 -1.647186 
7.975733 
1 1 1 16  21  26 o 54.83082 4.932127  647.2549       104.7156 672.6818       
189.9985 636.1617       125.4961 55.22698 8.194453 54.43466 5.491305 0.7923164 
9.864254 
1 1 1 16  21  27 o 30.10033 7.404202  91.18358       96.51190 413.7815       
234.5916 25.45873       105.8879 41.12087 12.49039 19.07979 7.954814 22.04108 
14.80840 
1 1 1 16  21  28 o 39.30327 7.233809  361.1191       103.8309 374.3583       
232.2367 357.8116       116.0785 38.90779 12.53016 39.69875 7.232353 
-0.7909584     14.46762 
1 1 1 16  21  29 o 31.35966 7.065169  248.5803       103.1493 82.18414       
233.6488 288.8610       114.9583 27.55501 11.66845 35.16432 7.969545 -7.609306 
14.13034 
1 1 1 16  21  30 o 42.58805 7.011592  463.6728       101.8739 388.1431       
242.1252 479.9200       112.2977 38.41064 12.80374 46.76547 5.719610 -8.354836 
14.02318 
1 1 1 16  21  31 o 25.76817 6.862775  140.4055       93.60961 92.37303       
195.8902 154.6200       106.5645 25.74142 10.78142 25.79493 8.494211 
-0.5350685E-01 13.72555 
1 1 1 16  21  32 o 35.08540 7.526615  340.6022       118.4917 221.2451       
250.2552 375.0929       134.5270 30.94692 12.48344 39.22387 8.412107 -8.276957 
15.05323 
1 1 1 16  21  33 o 44.79937 7.306679  557.5163       118.1962 456.2156       
257.8474 584.4648       132.9918 38.85479 13.21290 50.74394 6.242546 -11.88915 
14.61336 
1 1 1 16  21  34 o 52.35122 6.813379  641.3022       124.3889 848.8184       
264.4663 582.3555       140.9529 54.63200 11.86290 50.07044 6.705231 4.561554 
13.62676 
1 1 1 16  21  35 o 44.60152 7.418983  594.6786       127.1685 468.3093       
261.3456 633.8812       145.5634 37.28517 13.25019 51.91788 6.678152 -14.63272 
14.83797 
1 1 1 16  21  36 o 22.07483 6.738587  78.58310       102.1311 95.04362       
206.4944 73.25245       117.5104 23.82202 10.52203 20.32764 8.421470 3.494375 
13.47717 
1 1 1 16  21  37 o 20.23923 6.661288  12.60256       120.5459 13.81691       
253.2489 12.24682       137.0702 22.09607 10.41033 18.38240 8.313604 3.713676 
13.32258 
1 1 1 16  22  0  o 121.8237 3.169225  3086.806       157.1296 3363.103       
260.5746 2928.930       196.9703 125.9237 4.928852 117.7238 3.985269 8.199905 
6.338450 
1 1 1 16  22  1  o 87.34047 3.123174  1602.068       113.9078 1719.536       
172.1987 1510.678       151.8866 90.14710 4.549872 84.53384 4.279665 5.613258 
6.246348 
1 1 1 16  22  2  o 20.66282 5.789608  14.68110       80.78798 122.5923       
121.5060 -70.82384      108.1583 25.45975 9.036002 15.86589 7.240782 9.593857 
11.57922 
1 1 1 16  22  3  o 71.71765 3.382114  1084.987       101.6120 1127.313       
149.7204 1048.844       138.3539 72.99968 4.885187 70.43562 4.678646 2.564064 
6.764227 
1 1 1 16  22  4  o 101.0549 4.733490  2147.566       198.8547 2351.545       
308.1414 2001.991       260.3154 105.0574 6.986257 97.05234 6.388735 8.005066 
9.466980 
1 1 1 16  22  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  22  6  o 36.74716 8.515951  281.9889       152.7082 224.7834       
209.4666 346.8844       223.1019 33.81454 11.87787 39.67978 12.20664 -5.865242 
17.03190 
1 1 1 16  22  7  o 158.4993 6.359445  5397.511       422.8638 5578.651       
594.4128 5211.906       601.6931 161.2769 8.778839 155.7216 9.203377 5.555298 
12.71889 
1 1 1 16  22  8  o 56.84513 6.638430  705.5120       154.8199 723.5334       
214.2354 685.8125       223.9868 58.08680 8.784861 55.60347 9.954960 2.483322 
13.27686 
1 1 1 16  22  9  o 60.38732 6.469390  804.4011       157.2671 717.4916       
236.4421 873.3582       210.6110 56.81646 10.29042 63.95819 7.843429 -7.141727 
12.93878 
1 1 1 16  22  10 o 22.75727 6.986761  4.293590       106.5714 -59.27097      
230.0353 21.66495       120.2552 25.12435 11.10036 20.39018 8.487712 4.734171 
13.97352 
1 1 1 16  22  11 o 32.74252 8.189713  153.3580       105.9531 332.9318       
282.4916 123.9611       114.2970 40.18991 13.82450 25.29514 8.784578 14.89477 
16.37943 
1 1 1 16  22  12 o 53.19484 7.283816  645.7654       120.5337 585.3699       
290.0149 658.3760       132.5213 50.63521 13.42252 55.75447 5.661441 -5.119255 
14.56763 
1 1 1 16  22  13 o 80.11058 5.645892  1321.157       143.1516 1449.900       
352.0213 1295.649       156.6927 81.90810 10.23677 78.31306 4.765799 3.595039 
11.29178 
1 1 1 16  22  14 o 116.1690 4.537102  2954.876       209.1275 2571.185       
345.8484 3176.030       262.5683 109.7910 7.503092 122.5471 5.103409 -12.75612 
9.074203 
1 1 1 16  22  15 o 114.5169 4.721809  2775.468       204.7145 2820.381       
384.9953 2757.763       241.7186 114.8413 7.985065 114.1925 5.041890 0.6487427 
9.443618 
1 1 1 16  22  16 o 163.9200 6.324621  5709.424       435.2566 0.000000       
0.000000 5709.424       435.2566 ?        ?        163.9200 6.324621 ? ? 
1 1 1 16  22  17 o 27.54785 11.41523  55.09533       215.9828 55.09533       
215.9828 0.000000       0.000000 27.54785 11.41523 ?        ?        ? ? 
1 1 1 16  22  18 f 179.3510 6.632664  6943.502       445.0034 6996.567       
849.0236 6923.402       522.5283 178.5953 11.32324 180.1068 6.910363 -1.511429 
13.26533 
1 1 1 16  22  19 o 44.49562 5.794919  372.8405       99.31962 629.8908       
187.4685 272.5383       117.1047 54.07452 8.257653 34.91673 8.132373 19.15778 
11.58984 
1 1 1 16  22  20 o 89.21295 4.073967  1681.516       134.8777 1721.682       
262.3474 1667.085       157.2516 89.64453 6.970663 88.78138 4.218851 0.8631516 
8.147935 
1 1 1 16  22  21 o 121.0409 3.742129  3177.234       179.1151 2925.018       
303.4233 3312.131       221.9041 116.9955 6.177328 125.0863 4.225487 -8.090736 
7.484258 
1 1 1 16  22  22 o 124.7231 3.554304  3299.474       174.0973 3334.252       
306.5423 3282.915       211.5218 124.9209 5.844888 124.5252 4.045936 0.3957901 
7.108609 
1 1 1 16  22  23 o 101.4457 3.573506  2355.913       137.4965 1761.557       
234.9624 2665.440       169.5605 90.62275 6.175644 112.2686 3.597388 -21.64587 
7.147012 
1 1 1 16  22  24 o 103.9448 3.795136  2324.037       152.3225 2271.219       
274.0650 2347.645       183.2291 102.7096 6.355703 105.1800 4.149372 -2.470383 
7.590273 
1 1 1 16  22  25 o 80.71519 3.825197  1400.996       122.6834 1380.721       
209.5753 1411.566       151.3207 79.99609 6.240113 81.43430 4.426005 -1.438217 
7.650394 
1 1 1 16  22  26 o 39.70795 6.101106  325.5041       93.11084 484.6890       
171.4598 258.9266       110.8856 45.79138 9.242450 33.62452 7.966875 12.16685 
12.20221 
1 1 1 16  22  27 o 21.53882 6.777029  -47.52301      97.65912 85.37942       
222.3617 -79.28478      108.7041 27.67735 11.53269 15.40030 7.121069 12.27705 
13.55406 
1 1 1 16  22  28 o 21.61765 6.167321  63.88880       84.99732 -94.72902      
183.2020 107.3971       95.94901 20.39730 9.356558 22.83800 8.037303 -2.440695 
12.33464 
1 1 1 16  22  29 o 44.18646 7.041621  469.9107       106.8521 462.3649       
242.4730 471.7292       119.0333 42.05582 12.68332 46.31710 6.121362 -4.261288 
14.08324 
1 1 1 16  22  30 o 45.87074 6.764324  645.3563       122.2413 212.1206       
236.5363 803.2292       142.7873 31.26553 12.30437 60.47594 5.623775 -29.21041 
13.52865 
1 1 1 16  22  31 o 26.14038 7.539501  74.85931       112.3567 257.4239       
238.2918 22.66829       127.4086 32.40183 12.43880 19.87893 8.523641 12.52290 
15.07900 
1 1 1 16  22  32 o 22.34690 6.612927  69.94678       97.31606 10.52369       
194.2957 89.84613       112.4359 22.79983 10.12099 21.89396 8.514031 0.9058666 
13.22585 
1 1 1 16  22  33 o 54.33688 6.758387  637.1370       128.3584 993.7367       
280.8120 542.9506       144.3175 60.38859 11.49005 48.28516 7.119122 12.10344 
13.51677 
1 1 1 16  22  34 o 49.98606 7.334328  652.4544       133.1517 705.9609       
264.4614 634.2849       154.1098 48.08644 12.84987 51.88568 7.074630 -3.799248 
14.66866 
1 1 1 16  22  35 o 28.80128 7.118423  240.1428       107.9544 75.97279       
253.4097 276.5427       119.3236 25.13010 11.33786 32.47247 8.610498 -7.342373 
14.23685 
1 1 1 16  22  36 o 23.65042 7.325018  103.4556       122.0111 123.7852       
261.2482 97.78428       137.9841 25.36200 11.47343 21.93884 9.109556 3.423164 
14.65004 
1 1 1 16  22  37 o 23.86267 6.510039  136.4911       124.4955 -443.2878      
275.0099 285.9317       139.6212 17.28694 8.677561 30.43841 9.706820 -13.15147 
13.02008 
1 1 1 16  23  0  o 53.17421 3.880041  599.1305       83.91970 617.4501       
137.6803 588.3010       105.8568 53.72035 6.104555 52.62807 4.790958 1.092274 
7.760082 
1 1 1 16  23  1  o 21.74393 5.785906  78.43398       71.72167 29.48606       
122.8293 103.7570       88.34720 20.76926 8.607529 22.71861 7.734162 -1.949341 
11.57181 
1 1 1 16  23  2  o 77.51480 3.221519  1275.462       104.5136 1229.348       
152.2321 1316.576       143.7421 76.15478 4.761352 78.87482 4.340767 -2.720047 
6.443038 
1 1 1 16  23  3  o 93.17761 3.189129  1824.448       123.2212 1916.750       
191.7378 1759.506       160.8304 95.12151 4.801202 91.23371 4.198884 3.887802 
6.378258 
1 1 1 16  23  4  o 24.05798 6.568288  81.66792       97.91982 -79.16999      
184.5710 144.6694       115.5167 21.59736 9.713738 26.51859 8.843807 -4.921234 
13.13658 
1 1 1 16  23  5  o 67.18323 6.203440  975.5554       172.8386 953.6089       
264.0485 992.0079       228.6224 66.37476 9.475491 67.99169 8.009105 -1.616928 
12.40688 
1 1 1 16  23  6  o 60.18446 9.794962  784.3237       247.4948 784.3237       
247.4948 0.000000       0.000000 60.18446 9.794962 ?        ?        ? ? 
1 1 1 16  23  7  o 79.34910 4.838933  1288.424       135.2760 1440.396       
290.1205 1246.204       152.9165 81.92081 8.435392 76.77738 4.743971 5.143433 
9.677867 
1 1 1 16  23  8  o 165.6436 6.248294  6004.714       348.3057 5713.932       
762.4127 6081.411       391.5547 161.8705 11.21872 169.4167 5.505001 -7.546127 
12.49659 
1 1 1 16  23  9  o 31.55802 7.937901  142.9989       108.4967 312.1096       
253.9420 105.2357       120.0007 38.64735 13.11246 24.46868 8.950112 14.17867 
15.87580 
1 1 1 16  23  10 o 57.91090 6.825781  702.0444       119.3522 789.6613       
300.3719 685.6174       130.0603 58.92547 12.51876 56.89632 5.444798 2.029148 
13.65156 
1 1 1 16  23  11 o 59.25360 5.663687  709.1064       118.3274 831.3129       
256.0184 675.9103       133.4343 62.03233 9.830465 56.47488 5.627730 5.557457 
11.32737 
1 1 1 16  23  12 o 60.97645 5.857368  834.4595       123.0644 754.4083       
245.7787 861.2447       142.1701 58.17313 10.44247 63.77977 5.309411 -5.606644 
11.71474 
1 1 1 16  23  13 o 65.54697 5.161827  861.1691       126.0479 1040.002       
252.7802 801.9872       145.4165 69.58509 8.652627 61.50885 5.631153 8.076244 
10.32365 
1 1 1 16  23  14 o 52.48841 5.778177  435.7690       108.0227 1090.562       
230.3719 251.2211       122.3016 71.41138 7.683925 33.56543 8.631721 37.84595 
11.55635 
1 1 1 16  23  15 o 98.07607 4.307382  2040.989       161.9605 2051.333       
297.4386 2036.629       193.0976 98.00948 7.228536 98.14265 4.686409 
-0.1331787     8.614764 
1 1 1 16  23  16 o 70.52620 4.670955  1029.155       126.8469 1138.279       
236.3870 985.0264       150.3224 72.87962 7.725712 68.17278 5.252110 4.706833 
9.341910 
1 1 1 16  23  17 o 42.27377 7.125983  398.2995       114.2066 381.1441       
227.9973 404.0458       131.9548 41.09922 12.27962 43.44831 7.233914 -2.349098 
14.25197 
1 1 1 16  23  18 o 83.57503 5.646410  1485.072       198.1198 0.000000       
0.000000 1485.072       198.1198 ?        ?        83.57503 5.646410 ? ? 
1 1 1 16  23  19 o 113.7664 5.357827  2773.564       253.9631 2332.985       
347.9070 3276.131       371.5763 103.9862 7.969090 123.5466 7.163716 -19.56040 
10.71565 
1 1 1 16  23  20 o 28.35618 7.081821  154.3459       110.4374 50.57116       
173.1707 225.4847       143.3779 24.80086 10.24579 31.91149 9.779188 -7.110630 
14.16364 
1 1 1 16  23  21 o 26.22105 6.585821  136.7136       92.43734 26.73826       
172.5573 180.9737       109.4692 23.85156 10.06027 28.59054 8.501952 -4.738981 
13.17164 
1 1 1 16  23  22 o 67.30722 4.002482  952.8265       106.6034 1014.823       
187.1996 923.0732       129.6852 68.71237 6.489198 65.90207 4.687190 2.810303 
8.004964 
1 1 1 16  23  23 o 100.5430 3.180821  2121.777       127.4653 2234.929       
220.1386 2064.707       156.3395 102.3478 5.123172 98.73817 3.771418 3.609581 
6.361642 
1 1 1 16  23  24 o 76.72813 3.835675  1293.195       118.5967 1130.238       
189.5790 1397.972       152.0157 72.40814 6.236256 81.04811 4.467520 -8.639969 
7.671350 
1 1 1 16  23  25 o 21.84790 6.348775  19.74402       87.73364 122.6738       
161.7243 -23.17984      104.4370 26.70854 10.24905 16.98725 7.495656 9.721292 
12.69755 
1 1 1 16  23  26 o 59.01205 6.089612  874.6020       112.7241 643.2103       
237.9331 941.5693       128.0007 51.67495 11.27911 66.34914 4.595134 -14.67419 
12.17922 
1 1 1 16  23  27 o 28.36871 6.584944  195.0659       99.47223 -102.7592      
230.1716 263.4644       110.3048 23.00410 10.52524 33.73331 7.916139 -10.72921 
13.16989 
1 1 1 16  23  28 o 35.77290 7.328869  315.0586       105.7927 269.1362       
230.2961 327.3416       119.1036 33.98970 12.40211 37.55609 7.812608 -3.566391 
14.65774 
1 1 1 16  23  29 o 34.88779 7.249656  314.1920       107.0035 218.8829       
230.6066 340.3428       120.7945 31.62852 12.21510 38.14707 7.811616 -6.518543 
14.49931 
1 1 1 16  23  30 f 30.35644 7.880276  192.1471       116.5545 291.4465       
238.5200 160.9978       133.5905 34.01286 12.59453 26.70003 9.474848 7.312826 
15.76055 
1 1 1 16  23  31 o 19.37557 6.422628  -80.49942      113.2678 -154.7618      
240.5925 -59.35298      128.3855 21.57913 10.16095 17.17202 7.858474 4.407108 
12.84526 
1 1 1 16  23  32 o 23.44320 7.210151  45.75198       113.1160 111.6854       
237.8046 26.47148       128.5958 27.03190 11.61961 19.85451 8.539895 7.177399 
14.42030 
1 1 1 16  23  33 f 35.09656 7.801581  349.8164       123.4618 290.3745       
256.0266 367.8272       140.9303 32.23384 12.76448 37.95928 8.973676 -5.725441 
15.60316 
1 1 1 16  23  34 o 37.69069 6.648874  460.3368       123.9448 76.33825       
252.2677 582.5305       142.3054 25.54538 11.42676 49.83601 6.801414 -24.29063 
13.29775 
1 1 1 16  23  35 f 27.79521 7.153228  204.8843       99.62624 212.9273       
206.7702 202.4526       113.6936 27.94297 11.31597 27.64745 8.753484 0.2955227 
14.30646 
1 1 1 16  23  36 o 25.09067 7.578406  119.6861       114.1179 317.1360       
262.0517 73.47849       126.7696 29.76746 12.46889 20.41388 8.617176 9.353579 
15.15681 
1 1 1 16  23  37 o 25.42182 7.677941  142.1832       114.7860 401.9077       
271.0460 85.42292       126.7094 30.45532 12.71419 20.38833 8.611187 10.06699 
15.35588 
1 1 1 16  24  0  o 45.50210 3.916780  421.4297       72.96223 574.3735       
118.5270 328.1140       92.58245 51.84386 5.445539 39.16033 5.631232 12.68354 
7.833560 
1 1 1 16  24  1  o 46.00685 4.351748  461.0611       80.66448 425.6705       
131.3043 482.5141       102.2302 44.41804 7.041102 47.59567 5.116027 -3.177631 
8.703497 
1 1 1 16  24  2  o 32.02934 5.970315  218.6706       82.75446 323.5872       
129.0458 145.3880       107.8505 37.87735 8.340041 26.18133 8.545313 11.69602 
11.94063 
1 1 1 16  24  3  o 46.80177 3.959015  482.4218       68.61205 432.6628       
129.2336 501.9525       80.96530 44.88906 6.857348 48.71449 3.958785 -3.825432 
7.918030 
1 1 1 16  24  4  o 81.15839 3.043405  1380.569       89.29681 1421.472       
181.1360 1367.436       102.6354 81.77465 5.276030 80.54213 3.035254 1.232521 
6.086810 
1 1 1 16  24  5  o 37.91778 6.672175  396.3010       99.93151 71.09327       
243.3366 462.2743       109.6001 29.21804 12.11249 46.61752 5.599932 -17.39949 
13.34435 
1 1 1 16  24  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  24  7  o 49.87514 6.760334  558.2832       110.3711 536.2172       
249.0210 563.6776       123.1253 48.25137 12.26291 51.49890 5.694694 -3.247524 
13.52067 
1 1 1 16  24  8  o 91.14839 4.514157  1738.121       151.9959 1839.338       
300.0994 1703.197       176.2785 92.58577 7.720438 89.71101 4.680311 2.874763 
9.028315 
1 1 1 16  24  9  o 87.64685 4.061271  1644.474       137.2785 1599.262       
247.4335 1664.580       165.0026 86.55988 6.808679 88.73382 4.429174 -2.173943 
8.122542 
1 1 1 16  24  10 o 112.5276 4.124498  2740.320       186.6522 2504.165       
304.4696 2882.508       236.2532 108.3572 6.692788 116.6980 4.822089 -8.340782 
8.248997 
1 1 1 16  24  11 o 66.32937 4.762622  920.0982       120.8194 983.4641       
226.0318 894.7516       142.9556 67.68874 7.953792 64.96999 5.240942 2.718750 
9.525244 
1 1 1 16  24  12 o 27.33766 7.153077  130.4078       112.7916 -39.75671      
211.7956 197.7733       133.2605 24.42346 10.73201 30.25187 9.459916 -5.828409 
14.30615 
1 1 1 16  24  13 o 42.84557 6.853194  437.2914       108.7809 329.3450       
219.4852 472.4413       125.2457 38.59489 12.15491 47.09625 6.334284 -8.501362 
13.70639 
1 1 1 16  24  14 o 39.68149 6.761605  379.6986       115.0972 205.6519       
194.1161 474.0628       142.9328 32.30262 11.42549 47.06035 7.234323 -14.75773 
13.52321 
1 1 1 16  24  15 o 68.84416 4.892221  902.1586       124.0516 1257.182       
259.8790 797.3924       141.1736 76.41496 8.100539 61.27336 5.487857 15.14159 
9.784442 
1 1 1 16  24  16 o 60.23172 5.388987  814.2869       120.5437 701.5876       
222.9710 860.8295       143.2889 56.80074 9.350081 63.66270 5.361035 -6.861965 
10.77797 
1 1 1 16  24  17 o 83.17504 4.922044  1509.914       158.7605 1408.960       
279.7885 1557.854       192.8058 80.73790 8.254171 85.61218 5.364209 -4.874283 
9.844089 
1 1 1 16  24  18 o 33.79245 7.210290  271.4694       114.5022 101.5575       
216.7021 337.2814       134.8664 28.87194 11.62885 38.71297 8.527779 -9.841032 
14.42058 
1 1 1 16  24  19 o 80.86014 4.908801  1464.638       153.1124 1243.031       
264.5588 1576.248       187.7509 75.64688 8.330140 86.07340 5.195581 -10.42652 
9.817601 
1 1 1 16  24  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  24  21 o 51.09182 6.636426  612.4812       121.9226 526.6631       
232.1200 645.1791       143.2792 47.35455 11.72289 54.82909 6.224339 -7.474541 
13.27285 
1 1 1 16  24  22 o 70.84189 4.064983  1128.522       113.6742 885.8234       
182.9100 1281.248       145.0976 64.03874 6.803237 77.64503 4.451102 -13.60629 
8.129966 
1 1 1 16  24  23 o 75.35389 3.735558  1213.766       111.6662 1218.045       
192.3275 1211.589       137.1508 75.22053 6.090122 75.48725 4.327586 
-0.2667236     7.471117 
1 1 1 16  24  24 o 43.93758 5.386275  399.2397       93.12972 529.4260       
165.2579 338.6547       112.7359 49.02615 8.028888 38.84901 7.182257 10.17714 
10.77255 
1 1 1 16  24  25 o 60.48355 4.460731  837.0369       100.6509 693.2429       
182.1721 900.2185       120.7554 56.03028 7.744263 64.93681 4.429317 -8.906532 
8.921461 
1 1 1 16  24  26 o 117.2689 3.808871  2879.264       159.9941 3146.610       
332.5427 2798.739       182.5056 119.8805 6.607235 114.6573 3.791365 5.223236 
7.617743 
1 1 1 16  24  27 o 60.60210 5.920875  845.8642       122.5695 824.0035       
249.9326 852.7866       140.6433 58.46671 10.56954 62.73750 5.339653 -4.270782 
11.84175 
1 1 1 16  24  28 o 83.93784 4.549829  1443.366       133.6389 1776.158       
293.8266 1356.569       150.0579 88.51051 7.907102 79.36516 4.503499 9.145348 
9.099657 
1 1 1 16  24  29 o 64.11282 5.613752  957.4855       132.3764 901.6760       
251.6805 978.8296       155.6448 61.42041 9.760180 66.80521 5.549391 -5.384800 
11.22750 
1 1 1 16  24  30 o 31.83810 7.838305  196.1103       112.2565 410.3621       
237.5738 134.5248       127.3725 38.65480 12.68283 25.02139 9.214222 13.63341 
15.67661 
1 1 1 16  24  31 o 25.76460 7.361367  129.1561       115.5348 15.01588       
252.7346 159.3100       129.9026 25.33463 11.38218 26.19458 9.338351 
-0.8599548     14.72273 
1 1 1 16  24  32 o 23.01582 6.991884  65.92786       114.7596 -56.88155      
239.4118 102.5628       130.7608 22.94165 10.59284 23.08998 9.128934 
-0.1483364     13.98377 
1 1 1 16  24  33 o 30.88390 7.669340  260.0150       116.8413 209.4423       
249.6444 274.2004       132.2165 29.38281 12.23002 32.38500 9.257519 -3.002192 
15.33868 
1 1 1 16  24  34 o 26.39149 7.708882  139.8942       118.0834 237.8300       
257.4160 113.7932       132.8904 29.63024 12.38140 23.15275 9.187407 6.477484 
15.41776 
1 1 1 16  24  35 o 27.06996 7.040732  207.4553       113.8205 50.54712       
215.6778 268.0231       133.9996 23.12537 10.44516 31.01455 9.443851 -7.889174 
14.08146 
1 1 1 16  24  36 o 27.43216 7.711250  228.4628       121.8865 248.4599       
268.2569 223.2605       136.8257 27.44136 12.06799 27.42296 9.602980 
0.1840019E-01  15.42250 
1 1 1 16  24  37 o 32.67338 7.488900  375.5378       121.9446 307.1382       
222.9610 404.7313       145.6617 28.47684 11.67380 36.86992 9.383867 -8.393078 
14.97780 
1 1 1 16  25  0  o 104.2903 2.485095  2320.929       102.0374 2252.688       
177.0473 2354.870       124.8594 102.9682 4.095502 105.6124 2.815965 -2.644226 
4.970191 
1 1 1 16  25  1  o 126.1181 2.537920  3358.977       123.2681 3388.758       
224.9454 3346.196       147.3645 126.3046 4.242083 125.9317 2.787270 0.3728714 
5.075839 
1 1 1 16  25  2  o 171.5934 3.064699  6285.143       210.5826 6140.546       
353.5150 6364.670       262.1730 169.7516 4.960380 173.4351 3.600576 -3.683472 
6.129398 
1 1 1 16  25  3  o 113.7280 2.573411  2757.802       115.7824 2668.618       
198.8797 2803.525       142.4024 112.1771 4.222866 115.2789 2.942309 -3.101799 
5.146822 
1 1 1 16  25  4  o 27.85647 5.229004  183.3216       60.29164 126.4229       
112.6818 206.1453       71.36681 25.12981 8.722754 30.58313 5.769186 -5.453320 
10.45801 
1 1 1 16  25  5  o 133.3394 4.089073  3872.022       222.8189 3403.188       
344.4120 4209.507       292.2105 125.9551 6.513035 140.7236 4.945953 -14.76842 
8.178146 
1 1 1 16  25  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  25  7  o 62.80922 4.987691  851.5342       121.9133 836.1985       
216.4387 858.6610       147.5459 62.11715 8.299358 63.50129 5.534339 -1.384144 
9.975383 
1 1 1 16  25  8  o 70.29089 4.513860  1109.855       121.9715 910.7820       
209.9730 1211.240       149.8456 65.00214 7.694084 75.57964 4.722373 -10.57749 
9.027720 
1 1 1 16  25  9  o 44.13838 6.266950  449.6211       102.7511 386.3443       
191.7855 475.0965       121.6896 41.09393 10.92522 47.18283 6.143144 -6.088894 
12.53390 
1 1 1 16  25  10 o 103.9123 3.981520  2252.928       161.6250 2420.695       
291.6218 2178.547       194.1757 106.4075 6.527828 101.4170 4.560423 4.990524 
7.963039 
1 1 1 16  25  11 o 123.0065 4.274879  3189.616       206.7634 3331.074       
366.0275 3123.324       250.5708 124.6645 6.993456 121.3485 4.918325 3.316055 
8.549757 
1 1 1 16  25  12 o 56.23294 6.224154  755.6466       125.7058 557.8368       
223.1378 847.6125       152.1467 49.36987 11.04408 63.09602 5.743565 -13.72614 
12.44831 
1 1 1 16  25  13 o 38.54184 7.685380  303.8387       122.6578 450.1194       
222.8206 240.2397       146.9221 44.18991 11.78871 32.89377 9.863397 11.29614 
15.37076 
1 1 1 16  25  14 o 89.26326 4.044086  1656.786       141.6988 1811.137       
254.3136 1587.293       170.6412 91.99650 6.584447 86.53003 4.697189 5.466469 
8.088173 
1 1 1 16  25  15 o 45.61658 6.372124  438.8539       109.5943 520.4516       
206.7603 406.9706       129.2441 47.70365 10.60195 43.52951 7.072093 4.174145 
12.74425 
1 1 1 16  25  16 o 137.2856 4.958678  4101.831       272.0464 3872.229       
453.6982 4230.726       339.9370 133.7251 8.081185 140.8460 5.748772 -7.120850 
9.917356 
1 1 1 16  25  17 o 74.70708 4.706956  1235.719       139.2619 1071.467       
230.5350 1330.097       174.7496 70.36666 7.803529 79.04751 5.265614 -8.680847 
9.413913 
1 1 1 16  25  18 o 43.95059 7.145442  431.7326       120.4707 467.5391       
222.2161 416.8284       143.3676 44.75820 11.69655 43.14298 8.210970 1.615223 
14.29088 
1 1 1 16  25  19 o 26.86420 7.625518  24.17779       110.3029 251.6496       
249.7097 -30.96642      122.9480 35.36367 12.91322 18.36474 8.114363 16.99893 
15.25104 
1 1 1 16  25  20 o 46.56881 6.836963  487.2707       114.1194 491.9905       
232.8565 485.7788       130.9196 45.64179 11.99458 47.49583 6.565538 -1.854038 
13.67393 
1 1 1 16  25  21 o 76.99194 4.929868  1154.331       142.7652 1588.761       
288.0182 1012.824       164.3805 85.23709 8.048453 68.74679 5.695330 16.49030 
9.859735 
1 1 1 16  25  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  25  23 o 74.77899 5.106226  1175.128       141.5377 1321.696       
280.9573 1125.281       163.8475 77.14681 8.674479 72.41116 5.389585 4.735649 
10.21245 
1 1 1 16  25  24 o 23.33849 6.396219  60.34163       85.11162 165.0258       
155.1461 15.27354       101.7970 28.36390 10.19605 18.31308 7.725734 10.05082 
12.79244 
1 1 1 16  25  25 o 31.79784 6.481976  215.2993       82.84532 288.5402       
162.7263 189.6740       96.25314 34.86579 10.36532 28.72989 7.786160 6.135899 
12.96395 
1 1 1 16  25  26 o 44.23121 6.395688  606.6818       109.6167 141.0069       
220.8627 758.8793       126.2655 29.16529 11.74287 59.29713 5.071917 -30.13185 
12.79138 
1 1 1 16  25  27 o 60.89562 5.453914  815.0182       119.0940 875.8942       
244.2720 796.0358       136.4041 61.27753 9.494967 60.51371 5.369014 0.7638245 
10.90783 
1 1 1 16  25  28 o 30.59464 7.461018  95.94006       110.0206 477.9065       
236.4644 -9.593544      124.2935 42.50083 12.45609 18.68844 8.216637 23.81239 
14.92204 
1 1 1 16  25  29 o 31.18445 7.605259  127.6343       112.1758 486.6775       
239.4915 26.72489       126.9646 42.28506 12.57549 20.08384 8.556692 22.20122 
15.21052 
1 1 1 16  25  30 o 48.26262 6.921183  509.0287       119.1140 737.0738       
252.7287 443.9060       135.0550 52.56305 11.75023 43.96219 7.317325 8.600857 
13.84237 
1 1 1 16  25  31 o 38.06055 6.574979  448.1605       107.3104 128.2944       
239.8133 528.2438       119.9942 27.59019 11.75745 48.53090 5.889289 -20.94071 
13.14996 
1 1 1 16  25  32 o 24.26117 7.123070  105.9150       113.0492 -8.266435      
241.3960 137.9922       127.9471 23.86921 10.87275 24.65313 9.205208 
-0.7839260     14.24614 
1 1 1 16  25  33 o 25.70026 6.791472  162.1073       93.49041 85.38415       
205.0795 182.2349       105.0402 24.55096 10.67466 26.84957 8.399291 -2.298605 
13.58294 
1 1 1 16  25  34 o 21.53454 6.983638  -13.72508      117.1793 109.4176       
252.6471 -47.47530      132.2660 25.88963 11.51183 17.17945 7.909646 8.710178 
13.96728 
1 1 1 16  25  35 o 27.14246 7.854589  171.3958       120.2391 339.9354       
262.8148 126.7800       135.2206 31.11225 12.70084 23.17268 9.244836 7.939562 
15.70918 
1 1 1 16  25  36 o 25.80186 6.720844  203.2486       121.7537 -219.0707      
270.8879 310.1617       136.2965 19.38359 9.548104 32.22014 9.461113 -12.83655 
13.44169 
1 1 1 16  26  0  o 45.29921 3.989384  354.1159       66.34129 657.3527       
143.4551 271.6225       74.82295 55.02242 6.210084 35.57600 5.009551 19.44641 
7.978768 
1 1 1 16  26  1  o 34.77897 3.665544  242.0224       48.29457 300.7694       
94.69200 221.3689       56.14577 37.30679 6.045700 32.25115 4.146607 5.055637 
7.331087 
1 1 1 16  26  2  o 35.41780 3.908560  222.7460       50.17560 371.3169       
110.4193 184.0847       56.32690 41.44733 6.345551 29.38826 4.565234 12.05907 
7.817121 
1 1 1 16  26  3  f 23.66434 4.866171  88.98617       50.00232 217.1609       
96.74538 42.26708       58.40851 30.97261 7.507483 16.35607 6.193238 14.61654 
9.732343 
1 1 1 16  26  4  o 54.86672 3.121555  630.1981       64.62663 661.9686       
123.2038 618.1380       75.90816 55.66206 5.272127 54.07138 3.343814 1.590683 
6.243109 
1 1 1 16  26  5  o 83.07706 3.681418  1392.354       86.54142 1585.437       
245.9204 1365.063       92.45538 85.69699 6.835181 80.45714 2.737087 5.239853 
7.362835 
1 1 1 16  26  6  o 66.58704 5.640194  947.9061       157.6749 0.000000       
0.000000 947.9061       157.6749 ?        ?        66.58704 5.640194 ? ? 
1 1 1 16  26  7  o 52.10997 5.122602  597.4526       107.6743 543.7345       
173.8495 630.8822       137.1451 49.94477 8.290953 54.27517 6.018663 -4.330399 
10.24520 
1 1 1 16  26  8  o 66.29865 4.584771  964.6942       121.3487 870.0734       
200.0614 1019.769       152.6323 63.41523 7.514341 69.18205 5.255015 -5.766823 
9.169542 
1 1 1 16  26  9  o 43.48229 6.588385  388.9502       105.1437 526.0572       
209.7668 342.9445       121.5102 47.76859 10.72359 39.19599 7.657151 8.572601 
13.17677 
1 1 1 16  26  10 o 45.51782 6.358829  498.3320       105.8853 378.5764       
198.4123 546.0190       125.2048 40.49077 11.26618 50.54487 5.900174 -10.05410 
12.71766 
1 1 1 16  26  11 o 32.35069 7.446198  225.8849       110.8608 215.0313       
200.8521 230.6402       132.9465 32.63992 11.61424 32.06145 9.321639 0.5784645 
14.89240 
1 1 1 16  26  12 o 41.93255 7.137413  403.2797       116.2932 390.1598       
215.0457 408.7025       138.2530 41.07455 11.82754 42.79055 7.992492 -1.716003 
14.27483 
1 1 1 16  26  13 o 45.74933 6.773194  492.7774       118.5579 403.6466       
213.1892 532.6841       142.6510 41.72355 11.70071 49.77512 6.826271 -8.051567 
13.54639 
1 1 1 16  26  14 o 98.48079 4.304850  2040.200       160.1687 2158.458       
304.9489 1995.148       188.2213 100.0174 7.262272 96.94417 4.624536 3.073242 
8.609699 
1 1 1 16  26  15 o 41.86158 6.749017  382.7599       108.4157 445.3472       
199.4463 356.5100       129.1654 43.84573 10.87406 39.87743 7.996986 3.968300 
13.49803 
1 1 1 16  26  16 o 112.5835 4.283340  2657.294       174.9549 2831.764       
355.2675 2601.437       201.0202 114.4188 7.395698 110.7482 4.323387 3.670616 
8.566681 
1 1 1 16  26  17 o 107.9581 4.746967  2350.402       184.4828 2831.344       
389.2715 2211.095       209.5040 113.9861 8.134333 101.9302 4.895654 12.05589 
9.493935 
1 1 1 16  26  18 f 62.84170 5.103295  787.5060       120.6105 1012.916       
240.6817 711.9193       139.3732 68.02146 8.427877 57.66193 5.757200 10.35953 
10.20659 
1 1 1 16  26  19 o 118.3848 4.646509  2981.009       205.4138 3115.321       
396.8307 2931.848       240.0813 119.4710 7.911593 117.2987 4.875129 2.172234 
9.293018 
1 1 1 16  26  20 o 60.94358 5.858795  873.4316       127.1495 714.0593       
233.1186 940.9214       151.7012 55.60106 10.37241 66.28610 5.451144 -10.68505 
11.71759 
1 1 1 16  26  21 o 34.42896 7.224192  293.4573       115.5382 122.7164       
220.2458 358.2834       135.7107 29.24210 11.74605 39.61582 8.413445 -10.37372 
14.44838 
1 1 1 16  26  22 o 62.11123 5.541805  793.5414       128.5202 977.0585       
256.9425 732.3069       148.4212 66.00565 9.272054 58.21681 6.072514 7.788845 
11.08361 
1 1 1 16  26  23 o 38.72492 7.536195  357.2059       117.9188 339.1099       
228.7994 363.7510       137.6012 37.74368 12.44642 39.70617 8.500804 -1.962498 
15.07239 
1 1 1 16  26  24 o 88.06065 8.046487  1730.581       297.4864 1730.581       
297.4864 0.000000       0.000000 88.06065 8.046487 ?        ?        ? ? 
1 1 1 16  26  25 o 35.64257 7.863200  272.4901       117.1075 405.7662       
234.3171 228.1162       135.2045 40.12223 12.54360 31.16290 9.485658 8.959326 
15.72640 
1 1 1 16  26  26 o 66.37333 5.607994  1127.415       123.4358 747.3252       
230.7498 1279.779       146.0962 55.61423 10.26862 77.13243 4.511522 -21.51820 
11.21599 
1 1 1 16  26  27 o 20.47352 6.606461  -57.64214      106.1495 12.28269       
217.5771 -79.48433      121.6034 24.65410 10.85518 16.29294 7.533026 8.361158 
13.21292 
1 1 1 16  26  28 o 49.42994 6.757355  576.4454       118.4478 623.1826       
240.8583 561.5369       136.0338 48.70608 11.87054 50.15380 6.460471 -1.447723 
13.51471 
1 1 1 16  26  29 o 44.73205 7.058252  582.9687       122.2343 313.6030       
242.5867 674.6318       141.5119 34.49876 12.71496 54.96534 6.132323 -20.46659 
14.11650 
1 1 1 16  26  30 o 46.96124 7.386572  427.7452       119.9250 912.7751       
278.4321 317.2694       132.8827 58.26255 11.79477 35.65993 8.895455 22.60262 
14.77314 
1 1 1 16  26  31 o 35.20938 7.926127  296.8302       114.7242 452.2521       
245.3344 253.3320       129.7891 38.94627 12.88831 31.47250 9.229590 7.473768 
15.85225 
1 1 1 16  26  32 o 23.46002 7.191473  69.71670       112.6057 81.39689       
244.2672 66.56461       126.8935 25.80812 11.41587 21.11192 8.749109 4.696194 
14.38295 
1 1 1 16  26  33 o 37.79103 7.134480  438.1423       114.8472 257.4052       
263.4974 480.5295       127.6058 30.32430 12.58972 45.25777 6.715806 -14.93348 
14.26896 
1 1 1 16  26  34 o 25.01505 7.427189  134.9134       117.0048 138.2929       
255.9924 134.0210       131.5498 26.29436 11.65168 23.73574 9.213631 2.558615 
14.85438 
1 1 1 16  26  35 o 23.20523 6.961401  99.09148       100.8430 214.7795       
212.6195 65.51432       114.5463 26.81432 11.23165 19.59614 8.227660 7.218176 
13.92280 
1 1 1 16  26  36 o 20.07549 6.549460  29.75229       118.7152 -92.18436      
260.8252 61.61361       133.3258 20.44423 9.890810 19.70675 8.587990 0.7374821 
13.09892 
1 1 1 16  27  0  o 19.99599 5.391308  38.92754       57.26085 137.3708       
115.3545 6.739635       65.96115 25.36225 8.823469 14.62974 6.197676 10.73251 
10.78262 
1 1 1 16  27  1  o 21.45004 5.464769  91.43515       59.25346 52.53244       
119.4302 104.1378       68.24504 21.14784 8.585612 21.75223 6.763288 
-0.6043854     10.92954 
1 1 1 16  27  2  f 35.44763 4.983985  249.2103       56.96612 335.9517       
139.2944 231.7891       62.42511 37.97039 8.886278 32.92487 4.516025 5.045525 
9.967970 
1 1 1 16  27  3  o 47.25262 3.236129  455.6049       59.02278 531.6376       
110.7264 425.4254       69.76002 49.74410 5.301887 44.76113 3.712159 4.982971 
6.472259 
1 1 1 16  27  4  o 47.41006 3.758004  538.6662       62.08216 374.5805       
118.0126 601.4510       72.99960 41.51190 6.771376 53.30823 3.261725 -11.79633 
7.516008 
1 1 1 16  27  5  o 41.42223 4.118882  385.2240       60.90027 349.4009       
115.4894 399.0222       71.67565 39.48963 7.235631 43.35482 3.937815 -3.865192 
8.237763 
1 1 1 16  27  6  o 104.9839 3.996928  2359.840       163.2812 2377.010       
291.9038 2352.021       196.9806 104.8354 6.632127 105.1324 4.462804 
-0.2969894     7.993855 
1 1 1 16  27  7  o 62.69360 6.021096  846.5654       153.0468 798.0436       
190.7678 934.2004       256.3748 60.54449 7.505012 64.84270 9.417493 -4.298210 
12.04219 
1 1 1 16  27  8  o 51.89689 5.076375  571.2186       105.9045 628.0608       
180.9725 541.6147       130.6026 53.60801 8.040890 50.18577 6.198581 3.422237 
10.15275 
1 1 1 16  27  9  o 29.58330 6.851962  165.2426       90.82722 267.2421       
171.8191 125.6861       106.9993 34.36211 10.74098 24.80449 8.510519 9.557621 
13.70392 
1 1 1 16  27  10 o 48.72590 5.996401  525.5400       108.4366 536.0804       
201.2086 521.2256       128.7306 48.20017 10.25032 49.25163 6.225613 -1.051460 
11.99280 
1 1 1 16  27  11 o 27.48579 7.076090  100.4958       99.78110 258.8004       
189.6001 39.85681       117.3458 34.23121 11.33016 20.74037 8.480071 13.49084 
14.15218 
1 1 1 16  27  12 o 53.63277 7.240124  655.8126       158.8743 703.5598       
217.8153 601.5309       232.2426 56.48223 9.185389 50.78331 11.19403 5.698925 
14.48025 
1 1 1 16  27  13 o 42.05150 6.368992  373.8551       101.8475 486.1942       
188.5742 327.5904       121.0156 45.93971 10.05328 38.16328 7.822265 7.776424 
12.73798 
1 1 1 16  27  14 o 29.82533 6.283005  211.5393       98.75193 -42.41314      
185.1567 312.4942       116.7419 22.38008 9.914242 37.27058 7.720906 -14.89050 
12.56601 
1 1 1 16  27  15 o 98.00620 4.155048  1886.969       151.9154 2449.297       
307.9804 1706.157       174.6395 106.4573 6.890785 89.55508 4.644866 16.90221 
8.310097 
1 1 1 16  27  16 f 101.3368 4.211220  2080.673       157.7163 2472.146       
319.0287 1954.053       181.4385 106.8112 7.114332 95.86240 4.508189 10.94878 
8.422440 
1 1 1 16  27  17 o 31.59050 7.144077  236.7230       112.7267 23.65304       
229.0399 304.8339       129.4966 26.64184 11.42602 36.53915 8.578889 -9.897306 
14.28815 
1 1 1 16  27  18 o 31.18894 7.529761  212.4158       108.6184 138.2721       
236.0406 232.3338       122.3412 30.47738 12.19409 31.90051 8.837046 -1.423138 
15.05952 
1 1 1 16  27  19 f 64.49154 5.572313  897.0906       128.8211 943.2607       
264.1761 882.6871       147.5533 64.83794 9.704772 64.14514 5.479061 0.6927948 
11.14463 
1 1 1 16  27  20 o 80.32465 4.942694  1324.287       138.5368 1559.462       
303.5186 1262.399       155.7020 83.79497 8.627568 76.85433 4.825552 6.940636 
9.885387 
1 1 1 16  27  21 o 37.91092 7.121350  376.9905       127.7862 85.38363       
244.3447 486.7713       149.9226 28.79487 12.04962 47.02697 7.593487 -18.23210 
14.24270 
1 1 1 16  27  22 o 56.67962 6.254591  744.7932       131.9448 692.9072       
234.8887 768.7132       159.4850 53.94962 10.75148 59.40963 6.394167 -5.460007 
12.50918 
1 1 1 16  27  23 o 53.26031 6.404423  648.3678       121.0447 662.3174       
239.0516 643.5580       140.3700 52.17453 11.23466 54.34608 6.152153 -2.171551 
12.80885 
1 1 1 16  27  24 o 36.67825 7.742714  305.8181       117.5404 389.6516       
226.8078 275.0357       137.4361 39.36761 12.34762 33.98890 9.345302 5.378712 
15.48543 
1 1 1 16  27  25 o 53.02085 6.642088  621.9803       147.8531 0.000000       
0.000000 621.9803       147.8531 ?        ?        53.02085 6.642088 ? ? 
1 1 1 16  27  26 o 35.79572 12.36333  324.0834       226.1294 324.0834       
226.1294 0.000000       0.000000 35.79572 12.36333 ?        ?        ? ? 
1 1 1 16  27  27 o 29.06285 7.226490  159.0123       135.5869 -139.5892      
216.7441 350.9893       173.7905 20.94922 9.814814 37.17647 10.60934 -16.22725 
14.45298 
1 1 1 16  27  28 o 31.62665 7.041286  268.8166       110.0619 86.25497       
224.0017 326.9169       126.3677 26.47592 11.32540 36.77739 8.369837 -10.30147 
14.08257 
1 1 1 16  27  29 o 19.38321 6.385784  -56.18797      106.2493 -118.0599      
230.9947 -39.58535      119.6585 21.69090 10.15693 17.07551 7.742723 4.615383 
12.77157 
1 1 1 16  27  30 o 21.16428 6.569537  22.75486       109.6666 -206.7584      
238.1968 84.49150       123.5388 20.31601 9.742567 22.01255 8.815763 -1.696541 
13.13907 
1 1 1 16  27  31 o 65.07320 6.439149  1122.893       134.4364 904.0410       
273.7418 1192.454       154.3295 56.81851 11.86255 73.32789 5.013036 -16.50938 
12.87830 
1 1 1 16  27  32 o 30.07758 7.822036  232.1839       114.5625 276.6378       
253.9033 220.8202       128.3728 31.14572 12.56977 29.00945 9.313315 2.136274 
15.64407 
1 1 1 16  27  33 o 27.84469 6.960043  221.6511       108.5521 4.414155       
250.0551 272.0970       120.4985 23.55249 10.85615 32.13689 8.712792 -8.584402 
13.92009 
1 1 1 16  27  34 o 29.08825 7.373118  261.8889       119.0048 118.5056       
256.7862 301.1074       134.2973 25.37111 11.43168 32.80540 9.314939 -7.434284 
14.74624 
1 1 1 16  27  35 o 38.17569 8.265224  392.9813       122.5048 777.7076       
275.0016 297.7337       136.8315 44.79931 13.50663 31.55206 9.530303 13.24724 
16.53045 
1 1 1 16  27  36 o 19.61827 6.494514  7.504435       118.3531 -31.88996      
249.7086 18.91811       134.4092 20.95284 10.03037 18.28371 8.252666 2.669130 
12.98903 
1 1 1 16  28  0  o 58.66172 3.045058  655.9185       67.32652 943.2067       
136.2100 563.0363       77.44910 65.97443 4.917614 51.34901 3.592571 14.62542 
6.090115 
1 1 1 16  28  1  o 84.07686 2.941888  1490.291       94.39918 1576.280       
176.6890 1455.941       111.6733 85.39420 4.928357 82.75952 3.214049 2.634674 
5.883776 
1 1 1 16  28  2  o 69.29755 3.310819  985.4390       85.90314 1140.426       
169.2407 931.6508       99.70132 72.45417 5.563685 66.14091 3.590474 6.313255 
6.621638 
1 1 1 16  28  3  o 39.53314 4.803560  298.3286       71.28545 480.1297       
142.5357 237.6883       82.32013 46.55854 7.291977 32.50775 6.254905 14.05079 
9.607121 
1 1 1 16  28  4  o 27.05206 5.021114  145.3147       52.21722 223.2155       
104.2299 119.2116       60.33476 31.09366 7.952281 23.01046 6.132504 8.083200 
10.04223 
1 1 1 16  28  5  o 19.87410 5.220237  72.65459       55.02691 27.66935       
110.4766 87.49733       63.45886 19.50276 8.127882 20.24545 6.552942 
-0.7426872     10.44047 
1 1 1 16  28  6  f 92.74133 3.744438  1854.549       136.1374 1829.253       
238.7193 1866.741       165.7284 91.87973 6.188548 93.60293 4.217242 -1.723198 
7.488876 
1 1 1 16  28  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  28  8  o 24.31599 6.606485  98.53436       86.17684 81.03341       
174.7727 104.1561       99.05563 25.62439 10.39268 23.00759 8.159340 2.616798 
13.21297 
1 1 1 16  28  9  o 59.10510 4.473440  757.3131       102.9770 748.5410       
182.7216 761.3961       124.6595 58.52900 7.436007 59.68120 4.975183 -1.152199 
8.946879 
1 1 1 16  28  10 o 70.66226 4.346615  1030.932       112.9959 1174.650       
227.9678 984.1226       130.1027 73.36417 7.401345 67.96035 4.559861 5.403816 
8.693230 
1 1 1 16  28  11 o 51.38920 5.040154  500.6559       99.73145 779.6250       
194.7892 401.5460       116.1035 59.66981 7.775552 43.10859 6.415090 16.56123 
10.08031 
1 1 1 16  28  12 o 53.41027 5.288684  533.0616       106.6553 849.2155       
217.1107 432.4970       122.4488 62.09804 8.327687 44.72251 6.521530 17.37553 
10.57737 
1 1 1 16  28  13 o 28.04752 7.211145  145.3847       100.3073 181.8903       
194.1175 132.0863       117.1615 30.61464 11.35678 25.48040 8.889653 5.134235 
14.42229 
1 1 1 16  28  14 o 21.35793 6.386374  28.75061       89.18114 11.73475       
175.2001 34.70140       103.6084 23.27107 9.987248 19.44479 7.962284 3.826277 
12.77275 
1 1 1 16  28  15 o 29.41841 7.008946  57.49622       99.84469 416.3120       
214.8563 -41.33214      112.7595 41.77776 11.75624 17.05906 7.634920 24.71869 
14.01789 
1 1 1 16  28  16 o 54.59086 6.350206  750.8879       110.7480 541.6221       
233.0122 811.9561       125.8743 47.53105 11.73243 61.65066 4.863179 -14.11961 
12.70041 
1 1 1 16  28  17 o 82.37584 4.411221  1467.637       135.3606 1466.214       
259.4269 1468.170       158.6714 81.78564 7.555426 82.96604 4.555326 -1.180405 
8.822441 
1 1 1 16  28  18 o 40.58422 6.707203  404.4709       106.8810 299.3160       
200.6342 446.1366       126.2929 35.87169 11.65519 45.29675 6.640996 -9.425056 
13.41441 
1 1 1 16  28  19 o 102.1283 4.651585  2365.687       178.8127 2038.068       
322.8078 2510.713       214.7737 95.92445 8.015594 108.3322 4.722202 -12.40773 
9.303169 
1 1 1 16  28  20 o 53.29722 6.546117  632.7543       121.1118 690.7570       
251.2559 615.1984       138.2307 53.38387 11.53773 53.21057 6.187679 0.1733055 
13.09223 
1 1 1 16  28  21 o 99.71394 4.914512  2269.539       191.1263 1927.241       
322.3245 2455.156       237.3561 92.74364 8.278092 106.6843 5.299331 -13.94062 
9.829024 
1 1 1 16  28  22 o 53.67282 6.575207  724.7806       126.0538 540.1550       
229.8324 804.2106       150.7501 46.56902 11.74856 60.77662 5.908022 -14.20760 
13.15041 
1 1 1 16  28  23 o 25.22450 7.387018  19.99759       116.8586 220.2684       
228.9624 -50.54755      135.8905 32.11734 12.23245 18.33166 8.284886 13.78569 
14.77404 
1 1 1 16  28  24 o 20.99312 6.742326  -44.40591      112.8441 -28.03508      
224.6333 -49.93158      130.5061 24.09580 10.78043 17.89045 8.100500 6.205357 
13.48465 
1 1 1 16  28  25 o 57.75018 6.540905  805.0844       138.0228 747.5844       
251.6023 829.8370       165.0790 54.34372 11.39284 61.15665 6.429382 -6.812931 
13.08181 
1 1 1 16  28  26 o 77.17167 5.699365  1401.901       170.1055 1280.088       
295.6614 1462.174       207.9744 73.13540 9.629153 81.20794 6.100038 -8.072540 
11.39873 
1 1 1 16  28  27 o 53.42781 7.848135  660.3015       176.0406 0.000000       
0.000000 660.3015       176.0406 ?        ?        53.42781 7.848135 ? ? 
1 1 1 16  28  28 o 29.76372 11.91118  197.6549       225.2860 197.6549       
225.2860 0.000000       0.000000 29.76372 11.91118 ?        ?        ? ? 
1 1 1 16  28  29 o 27.51575 7.612847  162.4045       137.4663 -10.76085      
233.6487 254.0791       170.0034 23.81160 10.80637 31.21989 10.72587 -7.408287 
15.22569 
1 1 1 16  28  30 o 43.99733 7.188175  543.7833       116.5650 430.9898       
247.3785 575.9742       132.1560 37.72815 12.94078 50.26651 6.262233 -12.53836 
14.37635 
1 1 1 16  28  31 o 42.53865 7.639177  471.5995       119.0114 567.8077       
258.2869 445.6679       134.0946 42.43155 13.15037 42.64575 7.777907 
-0.2141953     15.27835 
1 1 1 16  28  32 o 26.09615 7.588858  88.49603       112.5225 347.6699       
247.3315 20.85278       126.3561 33.14156 12.68708 19.05073 8.330724 14.09082 
15.17772 
1 1 1 16  28  33 f 28.16179 6.923269  236.3961       116.6949 -43.22626      
249.7951 314.4572       131.9822 22.29541 10.46182 34.02816 9.070667 -11.73276 
13.84654 
1 1 1 16  28  34 o 39.59666 6.533229  505.7188       108.0922 298.0254       
207.1379 583.4416       126.7134 29.70950 11.55555 49.48383 6.099304 -19.77433 
13.06646 
1 1 1 16  28  35 o 39.81027 7.895766  457.2083       123.8085 741.1912       
246.8501 361.7604       143.1102 44.99041 12.58209 34.63014 9.542723 10.36027 
15.79153 
1 1 1 16  29  0  f 19.09185 4.732178  69.39581       46.89516 106.4631       
74.06470 44.59175       60.58673 21.78257 7.081456 16.40114 6.279093 5.381432 
9.464355 
1 1 1 16  29  1  o 39.80301 4.387358  363.5680       62.32520 338.9785       
118.6793 372.9319       73.23711 37.99524 7.708487 41.61079 4.192242 -3.615547 
8.774716 
1 1 1 16  29  2  o 18.59971 5.331913  46.58634       60.69955 -5.589912      
122.6045 63.52763       69.86234 18.72417 8.196871 18.47526 6.821178 0.2489090 
10.66383 
1 1 1 16  29  3  o 25.71115 5.773616  147.7141       64.19360 142.0297       
130.7126 149.5209       73.69255 25.92538 9.354896 25.49692 6.769380 0.4284630 
11.54723 
1 1 1 16  29  4  o 18.01776 5.461102  15.41597       68.09688 -20.58486      
132.3687 28.37304       79.41131 19.01822 8.409186 17.01730 6.969944 2.000916 
10.92220 
1 1 1 16  29  5  o 63.45163 3.713850  850.5336       91.05707 924.5110       
167.7187 819.6146       108.4287 65.01368 6.144660 61.88959 4.172994 3.124092 
7.427700 
1 1 1 16  29  6  o 46.46215 4.825943  456.7889       87.99474 528.3024       
159.4225 425.4557       105.5256 48.64324 7.806354 44.28106 5.676242 4.362179 
9.651885 
1 1 1 16  29  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  29  8  o 65.38950 4.282169  941.7055       105.9912 896.4699       
195.3239 960.5850       126.1855 63.76638 7.295998 67.01261 4.485121 -3.246231 
8.564339 
1 1 1 16  29  9  o 30.78473 6.460062  172.1094       86.12859 356.7632       
162.8287 100.3743       101.4887 38.78830 9.950800 22.78116 8.240823 16.00714 
12.92012 
1 1 1 16  29  10 o 83.09973 4.032543  1433.582       128.9714 1638.642       
241.9187 1352.160       152.4412 86.67203 6.648314 79.52744 4.565690 7.144592 
8.065085 
1 1 1 16  29  11 o 107.6050 4.505123  2391.586       165.1442 2738.134       
371.6039 2306.300       184.3489 111.1937 7.960150 104.0163 4.221438 7.177406 
9.010245 
1 1 1 16  29  12 o 63.31500 4.732075  931.6769       110.6943 739.3702       
200.4669 1016.033       132.7710 57.67778 8.278567 68.95222 4.586442 -11.27444 
9.464149 
1 1 1 16  29  13 o 33.83308 7.157370  232.7884       100.1079 365.3284       
194.8931 185.2854       116.6764 39.04184 11.26541 28.62432 8.831893 10.41751 
14.31474 
1 1 1 16  29  14 o 18.58891 5.968052  -44.12992      92.54002 -192.8878      
196.0137 -1.463869      104.9754 19.33554 9.124062 17.84227 7.695590 1.493269 
11.93610 
1 1 1 16  29  15 o 86.57593 4.314251  1615.356       134.0997 1642.661       
272.7071 1606.649       154.0058 86.34350 7.522944 86.80835 4.225680 
-0.4648514     8.628503 
1 1 1 16  29  16 o 37.25927 6.593817  345.5272       95.90702 238.3491       
200.6866 377.2498       109.1816 32.84903 11.61740 41.66951 6.240973 -8.820477 
13.18763 
1 1 1 16  29  17 o 105.5015 4.507030  2412.508       175.4719 2449.285       
342.1852 2399.387       204.3914 105.1250 7.753115 105.8780 4.598095 
-0.7530289     9.014059 
1 1 1 16  29  18 o 52.65217 5.801010  623.6160       113.8394 635.6522       
207.8719 618.4597       136.0555 51.96984 9.883683 53.33450 6.076157 -1.364662 
11.60202 
1 1 1 16  29  19 o 43.46333 6.851533  425.8655       111.3351 501.6749       
214.4880 397.9064       130.2576 45.20053 11.31734 41.72614 7.726052 3.474384 
13.70307 
1 1 1 16  29  20 o 33.53301 6.348456  302.7393       113.3546 -106.2933      
234.2961 427.7417       129.5224 23.07796 10.58410 43.98806 7.013444 -20.91009 
12.69691 
1 1 1 16  29  21 o 23.99507 7.047576  69.82128       110.4608 4.180653       
211.0856 94.57501       129.6261 24.43287 10.72520 23.55727 9.145675 0.8756084 
14.09515 
1 1 1 16  29  22 o 55.34909 5.581475  640.5638       117.3865 821.6908       
229.3216 576.2523       136.6463 59.56187 9.170600 51.13631 6.364868 8.425560 
11.16295 
1 1 1 16  29  23 o 80.86893 5.082037  1535.853       153.4720 1290.351       
276.5584 1645.100       184.4852 74.66238 8.822793 87.07549 5.046457 -12.41310 
10.16407 
1 1 1 16  29  24 o 77.75102 4.933767  1393.576       144.3268 1263.420       
263.1673 1449.562       172.5981 73.87040 8.485600 81.63165 5.036150 -7.761253 
9.867534 
1 1 1 16  29  25 o 29.34728 8.382425  160.2146       140.0751 205.9046       
295.3109 146.9505       159.1136 32.04454 13.31750 26.65002 10.18353 5.394520 
16.76485 
1 1 1 16  29  26 o 34.54158 8.399564  312.7597       141.8087 281.1149       
268.1112 325.0510       167.0946 33.52093 13.12438 35.56223 10.48624 -2.041302 
16.79913 
1 1 1 16  29  27 o 31.72337 7.629755  266.4819       142.3620 -44.02204      
269.8507 386.2284       167.5796 24.78978 11.36484 38.65696 10.18297 -13.86718 
15.25951 
1 1 1 16  29  28 o 28.34388 8.197345  164.3544       142.3223 195.3240       
275.3813 153.0677       166.2460 30.19293 12.72071 26.49484 10.34261 3.698088 
16.39469 
1 1 1 16  29  29 o 38.59233 10.49035  401.5592       174.3996 0.000000       
0.000000 401.5592       174.3996 ?        ?        38.59233 10.49035 ? ? 
1 1 1 16  29  30 o 44.46455 8.720924  643.1813       181.8414 408.2257       
311.5280 764.6051       223.9526 35.36318 14.05605 53.56592 10.32693 -18.20274 
17.44185 
1 1 1 16  29  31 o 20.39487 6.595027  -29.96464      127.9871 -90.50471      
196.0091 15.03267       168.9850 19.76691 9.273901 21.02283 9.379354 -1.255920 
13.19005 
1 1 1 16  29  32 o 31.29667 7.362628  278.4306       104.7261 266.0021       
234.0166 281.5430       117.1072 29.82248 12.05437 32.77087 8.457260 -2.948389 
14.72526 
1 1 1 16  29  33 o 20.66530 6.698140  -4.555313      112.0165 117.4029       
227.7133 -43.48856      128.6599 24.59235 10.93219 16.73825 7.742581 7.854099 
13.39628 
1 1 1 16  29  34 o 21.87191 6.910208  78.74965       114.1257 113.7608       
240.1219 68.53298       129.7129 23.76861 10.83151 19.97521 8.583838 3.793407 
13.82042 
1 1 1 16  30  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  30  1  o 19.50118 5.259901  62.12920       54.15584 97.24563       
105.1606 49.45473       63.17754 22.11372 8.327832 16.88864 6.427553 5.225080 
10.51980 
1 1 1 16  30  2  o 38.81313 4.105248  293.0396       61.81911 452.9938       
118.6782 233.4775       72.41997 45.01772 6.279263 32.60855 5.289906 12.40917 
8.210496 
1 1 1 16  30  3  o 50.44376 3.998175  533.5602       76.99427 627.1082       
147.0226 498.2097       90.37853 52.90633 6.619078 47.98118 4.486580 4.925148 
7.996349 
1 1 1 16  30  4  o 36.74365 5.130836  308.0009       71.94070 314.7254       
129.8382 305.0219       86.41904 36.17557 8.652579 37.31174 5.516771 -1.136173 
10.26167 
1 1 1 16  30  5  o 18.84033 5.681102  -19.08821      72.65263 101.8926       
139.8933 -63.77037      85.01701 24.15978 9.475958 13.52089 6.269444 10.63889 
11.36220 
1 1 1 16  30  6  o 87.99005 3.746044  1654.178       119.7578 1743.149       
241.3727 1625.124       137.9324 88.77985 6.475820 87.20024 3.767644 1.579613 
7.492088 
1 1 1 16  30  7  o 85.31315 5.185818  1577.745       185.7429 0.000000       
0.000000 1577.745       185.7429 ?        ?        85.31315 5.185818 ? ? 
1 1 1 16  30  8  o 28.10934 6.543351  182.8450       84.89882 132.5105       
171.1529 199.2721       97.77600 26.95892 10.50021 29.25976 7.810726 -2.300842 
13.08670 
1 1 1 16  30  9  o 29.49051 6.455315  211.9843       84.60970 118.3069       
179.9520 238.5709       95.86730 26.79077 10.67221 32.19024 7.265548 -5.399477 
12.91063 
1 1 1 16  30  10 o 39.17785 6.478125  334.5948       91.36061 421.9442       
193.0793 309.3955       103.7048 41.44422 10.93633 36.91147 6.947025 4.532745 
12.95625 
1 1 1 16  30  11 o 23.74072 6.647581  36.16131       94.17080 199.8896       
176.5508 -28.94330      111.3304 30.28378 10.87763 17.19765 7.644509 13.08612 
13.29516 
1 1 1 16  30  12 o 59.72117 5.830939  870.8422       115.9131 691.0662       
230.2193 931.8922       134.1585 53.62412 10.60321 65.81822 4.855042 -12.19410 
11.66188 
1 1 1 16  30  13 o 32.14814 6.777182  260.5374       97.62035 127.4104       
200.4320 301.9386       111.7738 28.04738 11.23052 36.24889 7.589211 -8.201502 
13.55436 
1 1 1 16  30  14 o 68.56917 4.835682  1139.725       120.0254 795.7423       
213.9991 1297.594       144.9749 59.31534 8.593418 77.82299 4.437168 -18.50765 
9.671365 
1 1 1 16  30  15 o 51.94738 5.874588  595.0378       106.2482 656.0463       
218.7591 576.2037       121.5468 52.35908 10.31915 51.53568 5.617677 0.8234062 
11.74918 
1 1 1 16  30  16 o 22.14447 6.405640  47.91861       99.78591 -106.7623      
178.6892 118.0147       120.2892 19.84203 9.157758 24.44691 8.959039 -4.604877 
12.81128 
1 1 1 16  30  17 o 27.27030 6.918989  158.5269       94.40804 119.8045       
187.5509 171.6684       109.2598 27.15592 10.86778 27.38468 8.566266 
-0.2287598     13.83798 
1 1 1 16  30  18 o 54.57478 5.676113  618.6674       112.2923 784.5172       
235.6361 569.9362       127.7285 58.08000 9.663542 51.06957 5.957264 7.010429 
11.35223 
1 1 1 16  30  19 o 20.25220 6.449195  -43.10843      102.9469 6.374676       
196.2451 -61.89557      120.9207 23.67382 10.36697 16.83058 7.674263 6.843245 
12.89839 
1 1 1 16  30  20 o 53.99792 6.877126  778.3883       125.8886 527.8934       
247.1440 866.1537       146.2892 44.96341 12.59446 63.03243 5.528017 -18.06902 
13.75425 
1 1 1 16  30  21 o 62.89103 5.910488  942.4365       128.3436 850.9681       
251.6096 974.6061       149.2158 58.88917 10.55961 66.89288 5.313197 -8.003716 
11.82098 
1 1 1 16  30  22 o 36.44360 7.683553  331.1340       120.1237 335.0374       
222.5608 329.5295       142.6926 36.10886 12.27556 36.77834 9.244383 
-0.6694832     15.36711 
1 1 1 16  30  23 o 31.41374 7.691225  224.5328       112.4887 282.4673       
221.8382 204.4805       130.5122 33.63393 12.18204 29.19355 9.392426 4.440380 
15.38245 
1 1 1 16  30  24 o 26.60932 7.287453  147.4415       114.4443 33.03973       
225.9577 186.9146       132.7278 25.16269 11.07076 28.05595 9.479771 -2.893257 
14.57491 
1 1 1 16  30  25 f 26.42927 7.838928  105.1461       134.3452 136.9925       
256.6954 93.13234       157.6620 28.76370 12.20786 24.09484 9.836840 4.668856 
15.67786 
1 1 1 16  30  26 f 37.01967 7.934783  396.6953       154.7281 115.9379       
266.2477 539.8683       190.1301 28.17157 12.20451 45.86777 10.14362 -17.69621 
15.86957 
1 1 1 16  30  27 o 26.86015 7.779438  143.8429       140.0974 -2.190750      
270.8466 197.1877       163.6978 25.32247 11.52995 28.39783 10.44696 -3.075359 
15.55888 
1 1 1 16  30  28 o 38.68922 8.739453  419.2598       149.4146 499.1543       
287.2561 389.6273       174.9425 39.48101 13.90547 37.89742 10.59009 1.583591 
17.47891 
1 1 1 16  30  29 o 55.60823 7.782570  828.5707       157.1014 866.0493       
304.5390 814.9803       183.3863 52.65402 13.66162 58.56244 7.458799 -5.908417 
15.56514 
1 1 1 16  30  30 o 30.92096 8.508123  273.0550       151.5293 242.9296       
305.9986 282.8423       174.4159 30.26849 13.09801 31.57343 10.86254 -1.304943 
17.01625 
1 1 1 16  30  31 o 20.34133 9.245029  -7.138654      172.4013 0.000000       
0.000000 -7.138654      172.4013 ?        ?        20.34133 9.245029 ? ? 
1 1 1 16  30  32 o 22.55718 7.445582  15.18667       141.1523 80.51881       
317.8377 -0.8642135     157.5402 25.62652 11.97457 19.48784 8.851917 6.138678 
14.89116 
1 1 1 16  30  33 o 22.43780 7.132146  73.88572       131.3431 149.9380       
234.2506 39.01334       158.6227 24.73557 11.03923 20.14004 9.033578 4.595526 
14.26429 
1 1 1 16  30  34 o 21.07050 6.510831  87.27757       106.4832 -58.15777      
234.8155 124.9272       119.4737 20.18578 9.678436 21.95521 8.711577 -1.769432 
13.02166 
1 1 1 16  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  31  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  31  2  o 29.54245 5.437981  202.9278       62.92016 230.6259       
119.9821 192.4212       73.89643 30.38885 8.861974 28.69605 6.304917 1.692802 
10.87596 
1 1 1 16  31  3  o 40.24080 4.734212  365.0414       69.05643 388.5472       
132.9822 356.3623       80.80579 40.10778 8.180759 40.37381 4.767204 
-0.2660332     9.468424 
1 1 1 16  31  4  o 44.39933 4.878639  483.9564       74.49751 386.9686       
142.7855 520.2333       87.32543 39.76813 8.786801 49.03053 4.242240 -9.262402 
9.757278 
1 1 1 16  31  5  o 46.23236 4.973114  527.0686       79.38307 410.8793       
149.9435 572.3173       93.57240 41.02786 8.952768 51.43686 4.333056 -10.40900 
9.946227 
1 1 1 16  31  6  o 32.79385 5.858885  276.9304       81.25192 170.2474       
150.8742 320.5107       96.43006 27.56868 10.04034 38.01903 6.041329 -10.45035 
11.71777 
1 1 1 16  31  7  o 23.45122 8.166184  119.4948       98.82789 0.000000       
0.000000 119.4948       98.82789 ?        ?        23.45122 8.166184 ? ? 
1 1 1 16  31  8  o 49.63375 5.423436  624.6213       92.80632 439.9373       
171.0765 701.6367       110.4751 42.30388 9.814049 56.96363 4.619422 -14.65975 
10.84687 
1 1 1 16  31  9  o 42.93836 6.089825  439.3203       95.92220 416.3660       
183.8969 447.8999       112.4284 40.75278 10.63601 45.12394 5.934581 -4.371155 
12.17965 
1 1 1 16  31  10 o 69.57880 4.583603  1147.615       112.1514 920.7681       
218.3400 1228.917       130.7130 63.48320 8.192107 75.67440 4.114251 -12.19120 
9.167207 
1 1 1 16  31  11 o 23.01825 6.593333  80.35248       91.82292 5.732281       
190.4944 102.9380       104.8018 23.24744 10.19685 22.78906 8.361362 0.4583836 
13.18667 
1 1 1 16  31  12 o 20.29692 6.269121  4.408180       97.75063 -80.63037      
180.8442 39.50879       116.1860 20.42959 9.339877 20.16426 8.365060 0.2653370 
12.53824 
1 1 1 16  31  13 o 39.85546 6.485321  300.9970       95.71703 596.1265       
199.6283 212.8923       109.0724 49.66714 9.924555 30.04378 8.351094 19.62336 
12.97064 
1 1 1 16  31  14 o 21.34409 6.574084  14.21508       96.76879 22.17983       
196.4491 11.66330       111.1950 24.05591 10.45333 18.63228 7.975095 5.423632 
13.14817 
1 1 1 16  31  15 o 29.27835 6.903538  192.1628       92.42459 208.6869       
177.4189 186.0083       108.2771 30.35411 10.90419 28.20259 8.469587 2.151525 
13.80708 
1 1 1 16  31  16 o 33.33213 7.177976  243.9379       102.6709 359.7565       
188.1775 194.8465       122.5129 37.85129 11.11762 28.81296 9.082504 9.038328 
14.35595 
1 1 1 16  31  17 o 37.64685 7.097231  328.4929       106.5883 407.2015       
197.7864 296.2787       126.5344 40.05768 11.28195 35.23602 8.613959 4.821667 
14.19446 
1 1 1 16  31  18 o 35.39044 6.771786  327.9508       99.96899 215.9192       
198.9547 365.7898       115.6254 30.90916 11.49115 39.87172 7.168115 -8.962559 
13.54357 
1 1 1 16  31  19 o 26.35115 7.453595  78.07781       106.7035 252.6525       
229.5119 29.93924       120.5206 32.77442 12.31071 19.92789 8.406582 12.84653 
14.90719 
1 1 1 16  31  20 o 75.20207 5.255888  1314.285       146.2066 1206.802       
274.1090 1357.024       172.8476 71.56744 9.122815 78.83670 5.222230 -7.269257 
10.51178 
1 1 1 16  31  21 o 47.07782 6.849070  572.6454       115.6877 469.5382       
229.2045 607.8923       134.0105 41.82394 12.26519 52.33170 6.099511 -10.50776 
13.69814 
1 1 1 16  31  22 o 42.67738 6.549497  583.6459       130.1259 29.22567       
254.3064 780.2958       151.4554 26.14481 11.59579 59.20994 6.092718 -33.06513 
13.09899 
1 1 1 16  31  23 o 17.69827 5.940842  -119.7660      109.5010 -297.2788      
223.2283 -63.51762      125.6578 18.52399 9.011728 16.87254 7.743589 1.651449 
11.88168 
1 1 1 16  31  24 o 24.88455 7.561738  36.26324       123.9222 204.8947       
251.7567 -17.65947      142.3632 30.46388 12.43257 19.30522 8.611084 11.15866 
15.12348 
1 1 1 16  31  25 o 36.75613 8.324309  371.6616       139.1092 360.6132       
265.1610 375.8572       163.4011 35.51176 13.25333 38.00051 10.07600 -2.488750 
16.64862 
1 1 1 16  31  26 o 51.56840 7.905730  710.1475       153.7146 717.9307       
291.3422 707.1451       180.9498 48.53132 13.70046 54.60548 7.893016 -6.074165 
15.81146 
1 1 1 16  31  27 o 98.94026 5.618332  2317.500       215.0788 2408.927       
386.0081 2276.336       259.0104 97.91261 9.390288 99.96793 6.171314 -2.055321 
11.23666 
1 1 1 16  31  28 o 51.50285 8.389330  786.5240       165.7322 701.2529       
323.5547 816.8547       192.9693 44.84512 14.80099 58.16057 7.902795 -13.31545 
16.77866 
1 1 1 16  31  29 o 24.97386 7.848349  -97.63974      148.3027 397.4582       
297.4012 -261.4984      171.0928 34.42470 13.71773 15.52302 7.629555 18.90169 
15.69670 
1 1 1 16  31  30 o 31.10514 8.726004  215.3948       140.2998 547.1992       
317.3410 134.7832       156.4169 37.80202 14.40003 24.40827 9.859591 13.39375 
17.45201 
1 1 1 16  31  31 o 24.87605 8.001252  16.25801       144.1896 385.6503       
323.9417 -75.00897      161.0200 31.88371 13.62846 17.86840 8.387214 14.01530 
16.00250 
1 1 1 16  31  32 o 26.47467 8.153561  34.21516       140.8598 607.2880       
315.2228 -108.7683      157.4547 36.29765 14.22689 16.65170 7.969801 19.64595 
16.30712 
1 1 1 16  31  33 o 20.59475 9.042810  72.42686       150.1386 0.000000       
0.000000 72.42686       150.1386 ?        ?        20.59475 9.042810 ? ? 
1 1 1 16  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  32  2  o 20.74969 5.693138  81.80637       72.41553 40.85406       
113.2432 110.1380       94.19087 19.34934 8.155009 22.15005 7.946264 -2.800705 
11.38628 
1 1 1 16  32  3  o 40.38253 4.788729  402.3086       67.47242 333.0455       
129.3150 428.2188       79.09204 36.45195 8.582199 44.31310 4.251300 -7.861145 
9.577457 
1 1 1 16  32  4  o 17.37816 5.329091  8.655603       71.74579 -79.37836      
132.0672 45.51429       85.45544 16.73389 7.780277 18.02242 7.284514 -1.288536 
10.65818 
1 1 1 16  32  5  o 23.90505 5.504196  137.5189       74.47025 -46.70035      
142.9916 206.0822       87.23460 18.42229 8.385314 29.38781 7.132404 -10.96552 
11.00839 
1 1 1 16  32  6  o 18.83828 5.719897  27.43083       74.49912 -25.47872      
151.5282 44.29716       85.55331 19.61893 8.813823 18.05763 7.292832 1.561304 
11.43979 
1 1 1 16  32  7  o 28.88017 6.437058  189.8455       85.79900 272.9203       
141.4450 141.4831       107.9212 32.91516 9.629513 24.84518 8.544903 8.069981 
12.87412 
1 1 1 16  32  8  o 72.55804 3.675631  1131.703       105.9084 1230.066       
185.0909 1083.822       129.1382 74.37940 5.927253 70.73669 4.348417 3.642715 
7.351263 
1 1 1 16  32  9  o 22.56848 6.333290  83.60693       79.26907 97.02601       
163.8320 79.50523       90.57723 24.62297 10.03582 20.51399 7.728171 4.108982 
12.66658 
1 1 1 16  32  10 o 29.86335 6.404377  227.9820       83.91215 136.4523       
180.3971 253.2540       94.79129 26.81727 10.68458 32.90943 7.064272 -6.092163 
12.80875 
1 1 1 16  32  11 o 31.68010 6.339767  265.1974       99.30662 71.39752       
172.4556 361.3392       121.4666 24.13527 10.11268 39.22492 7.648812 -15.08965 
12.67953 
1 1 1 16  32  12 o 31.41094 6.536849  254.9665       97.24959 129.8083       
167.8368 318.2253       119.3214 26.22399 10.35055 36.59788 7.986718 -10.37389 
13.07370 
1 1 1 16  32  13 o 40.60440 6.387159  426.5691       102.6571 304.6628       
181.7720 483.6607       124.3941 34.61064 11.07940 46.59815 6.358466 -11.98751 
12.77432 
1 1 1 16  32  14 o 21.67084 6.467675  41.80546       92.64905 70.38577       
172.7248 30.26058       109.7782 24.16635 10.12290 19.17534 8.052957 4.991005 
12.93535 
1 1 1 16  32  15 o 35.67617 6.896668  281.2628       98.46993 423.4487       
186.5352 226.3332       115.9407 40.72451 10.75077 30.62784 8.641596 10.09667 
13.79334 
1 1 1 16  32  16 f 45.70747 5.528463  452.2442       99.44093 595.7812       
176.7493 385.7691       120.2833 50.66444 8.309514 40.75050 7.294354 9.913933 
11.05693 
1 1 1 16  32  17 o 71.79922 4.676598  1219.903       123.7372 1001.632       
225.9070 1313.454       147.8956 65.72928 8.186379 77.86917 4.523878 -12.13989 
9.353196 
1 1 1 16  32  18 f 28.30184 7.411248  176.1922       108.7377 185.2257       
207.9496 172.7926       127.5678 29.39642 11.54703 27.20726 9.293674 2.189159 
14.82250 
1 1 1 16  32  19 o 24.19986 6.480186  85.65395       111.9092 -270.3676      
213.8283 219.9567       131.3316 18.43977 8.927025 29.95995 9.395716 -11.52018 
12.96037 
1 1 1 16  32  20 o 81.29091 4.282284  1493.239       140.1764 1393.837       
228.1529 1553.514       177.6640 78.34367 6.936545 84.23815 5.023560 -5.894485 
8.564568 
1 1 1 16  32  21 o 19.46969 6.173182  -22.72197      103.6393 -141.7276      
188.8428 28.57118       123.9785 19.11200 9.000089 19.82738 8.451694 
-0.7153816     12.34636 
1 1 1 16  32  22 o 26.71460 7.265896  143.9837       107.4747 205.8120       
195.7443 117.3010       128.5912 29.47775 11.28606 23.95144 9.154111 5.526312 
14.53179 
1 1 1 16  32  23 o 30.29444 7.642879  232.2236       120.5763 225.8731       
201.0973 235.7882       150.6628 30.18705 11.47367 30.40183 10.09997 
-0.2147751     15.28576 
1 1 1 16  32  24 o 23.38200 7.084417  71.07612       118.0746 -130.1165      
269.2751 118.9688       131.3786 22.84774 10.75576 23.91626 9.223312 -1.068518 
14.16883 
1 1 1 16  32  25 o 30.62405 7.482190  239.9110       155.8119 -341.5026      
318.9576 422.1443       178.5683 21.71967 10.60568 39.52844 10.55709 -17.80878 
14.96438 
1 1 1 16  32  26 o 32.85998 8.704862  272.6773       147.4684 446.5164       
283.9075 208.4454       172.5752 37.17838 13.74588 28.54159 10.68407 8.636786 
17.40972 
1 1 1 16  32  27 o 26.30090 7.923100  137.2391       146.4890 60.20865       
289.9650 163.6361       169.7429 26.26702 11.95197 26.33479 10.40445 
-0.6777000E-01 15.84620 
1 1 1 16  32  28 o 24.79899 7.950742  -120.5584      149.5817 408.3386       
319.6392 -268.8631      169.2591 34.31923 14.00784 15.27876 7.525798 19.04046 
15.90148 
1 1 1 16  32  29 o 45.34798 8.851380  489.2717       145.6772 1059.733       
338.1898 359.3073       161.4208 55.23754 14.42686 35.45843 10.25931 19.77911 
17.70276 
1 1 1 16  32  30 o 28.38415 8.423444  160.9197       140.3463 496.6620       
309.2643 73.84424       157.4978 35.02072 13.97817 21.74758 9.403632 13.27314 
16.84689 
1 1 1 16  32  31 o 27.95621 8.433529  194.4638       142.3384 501.5308       
322.4315 120.1376       158.6324 33.06795 13.84001 22.84447 9.641151 10.22348 
16.86706 
1 1 1 16  32  32 o 23.19480 7.614241  65.49967       142.9772 284.3946       
321.8988 11.70127       159.5828 27.21876 12.45086 19.17084 8.768274 8.047922 
15.22848 
1 1 1 16  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  33  3  o 25.75720 5.714408  152.7823       60.67420 191.7507       
128.8534 141.6804       68.77612 27.26466 9.340387 24.24974 6.585972 3.014917 
11.42882 
1 1 1 16  33  4  o 36.34108 5.227020  335.1250       69.36708 278.1644       
132.8924 356.4567       81.32529 32.57172 9.271692 40.11044 4.829357 -7.538719 
10.45404 
1 1 1 16  33  5  o 33.95705 5.680274  259.8777       74.51884 367.4692       
138.6313 216.1576       88.37171 38.02505 8.843112 29.88906 7.131719 8.135986 
11.36055 
1 1 1 16  33  6  o 50.06699 4.596056  550.9294       89.52007 638.8882       
164.3665 513.8350       106.7403 52.08760 7.516228 48.04638 5.291621 4.041214 
9.192112 
1 1 1 16  33  7  o 31.60012 5.800324  255.7098       77.13277 204.5990       
129.7789 283.6249       95.91074 28.53846 9.373870 34.66178 6.834148 -6.123323 
11.60065 
1 1 1 16  33  8  o 48.87928 7.365834  555.7176       151.1561 555.7176       
151.1561 0.000000       0.000000 48.87928 7.365834 ?        ?        ? ? 
1 1 1 16  33  9  o 59.42684 4.260600  749.8961       97.12103 904.6616       
184.6044 690.6651       114.2035 62.74899 7.007393 56.10470 4.848432 6.644283 
8.521200 
1 1 1 16  33  10 o 48.21254 5.329930  574.1905       91.05287 475.0758       
168.1940 615.2795       108.2940 43.44806 9.482914 52.97702 4.868979 -9.528965 
10.65986 
1 1 1 16  33  11 o 47.79309 5.847075  590.1520       100.7533 432.5240       
179.2155 662.9940       121.8288 40.77534 10.42708 54.81084 5.294250 -14.03550 
11.69415 
1 1 1 16  33  12 o 96.72473 3.901757  2028.943       146.4389 2186.623       
266.5269 1960.760       175.2631 98.44063 6.448930 95.00883 4.393875 3.431801 
7.803514 
1 1 1 16  33  13 o 31.66804 6.514314  268.6456       95.50686 140.9561       
176.1562 321.8067       113.6624 26.57427 10.56750 36.76181 7.620564 -10.18754 
13.02863 
1 1 1 16  33  14 o 59.86959 4.779916  756.5266       107.9108 950.9153       
212.5818 689.0494       125.2474 63.83984 7.931499 55.89933 5.336825 7.940506 
9.559832 
1 1 1 16  33  15 o 25.39280 6.739255  140.5903       93.27429 87.43610       
182.5810 159.3617       108.5013 24.81769 10.40227 25.96791 8.571056 -1.150217 
13.47851 
1 1 1 16  33  16 o 32.18234 6.871192  275.4311       102.4157 173.3664       
189.1725 317.7501       121.8114 28.16741 11.02511 36.19726 8.203659 -8.029848 
13.74238 
1 1 1 16  33  17 o 24.81561 6.514053  125.0422       102.8349 -92.47270      
191.6776 212.9535       121.8566 20.26104 9.402040 29.37017 9.018491 -9.109133 
13.02811 
1 1 1 16  33  18 o 40.88704 6.988665  440.9364       110.0544 372.3766       
222.6468 463.1040       126.6025 36.62931 12.27793 45.14476 6.679684 -8.515446 
13.97733 
1 1 1 16  33  19 o 30.79001 6.722659  254.6077       102.5887 108.0606       
186.5290 318.1599       122.8353 25.51045 10.59195 36.06957 8.281734 -10.55913 
13.44532 
1 1 1 16  33  20 o 30.99431 7.370061  228.5750       107.4261 320.5742       
190.9634 185.9819       129.9356 34.40446 11.37083 27.58415 9.379527 6.820309 
14.74012 
1 1 1 16  33  21 o 22.44311 6.226019  40.13985       109.4447 -329.6422      
198.9191 200.6760       131.0660 16.53275 8.143242 28.35347 9.420238 -11.82072 
12.45204 
1 1 1 16  33  22 o 25.96227 7.093110  151.4942       109.0000 85.48483       
197.5285 180.3947       130.7012 24.83207 10.62910 27.09247 9.395273 -2.260399 
14.18622 
1 1 1 16  33  23 o 50.12730 6.846878  605.1262       124.3750 728.7514       
247.7460 563.4703       143.8107 50.99892 11.79644 49.25568 6.954342 1.743244 
13.69376 
1 1 1 16  33  24 o 34.74589 8.612880  267.7857       148.7403 624.0234       
282.1198 130.6432       175.0450 44.10593 13.75870 25.38585 10.36459 18.72008 
17.22576 
1 1 1 16  33  25 o 29.36021 8.407044  199.9879       144.4905 315.3593       
286.1819 160.5162       167.3925 32.50568 13.25886 26.21473 10.34003 6.290955 
16.81409 
1 1 1 16  33  26 f 31.22929 8.859026  248.8405       151.9499 406.9530       
331.7294 206.8579       170.9368 34.42281 14.19674 28.03577 10.60103 6.387032 
17.71805 
1 1 1 16  33  27 o 27.57956 8.272202  119.4393       146.7400 396.9669       
293.7167 27.12872       169.3952 33.92933 13.59117 21.22980 9.433844 12.69953 
16.54440 
1 1 1 16  33  28 o 23.08257 7.667046  -14.68991      140.2216 168.7667       
341.0768 -52.00340      153.8220 27.99271 12.80969 18.17242 8.428892 9.820290 
15.33409 
1 1 1 16  33  29 o 24.32212 7.841422  41.07238       141.8042 317.9287       
311.8489 -31.09580      159.2172 29.94283 13.09068 18.70142 8.636309 11.24142 
15.68284 
1 1 1 16  33  30 o 23.84480 7.646928  61.58847       131.5410 339.0926       
295.1077 -7.217543      146.9464 29.29641 12.77187 18.39320 8.413168 10.90320 
15.29386 
1 1 1 16  33  31 o 20.78619 6.924911  18.92625       134.3335 -14.13370      
301.5204 27.11330       150.0477 22.36842 10.78349 19.20395 8.691021 3.164463 
13.84982 
1 1 1 16  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  34  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  34  4  o 16.63437 5.165798  11.38747       63.80575 -7.895482      
123.1079 18.46990       74.60880 17.77876 7.966771 15.48998 6.578179 2.288785 
10.33160 
1 1 1 16  34  5  o 22.57346 6.104557  96.61942       70.78288 167.2049       
145.8650 74.87833       80.95316 25.92377 9.795616 19.22314 7.287549 6.700624 
12.20911 
1 1 1 16  34  6  o 25.26075 6.276153  133.3508       75.05161 234.6910       
146.4666 97.26785       87.39753 29.54552 9.958323 20.97597 7.641478 8.569555 
12.55231 
1 1 1 16  34  7  o 30.84908 6.486979  240.3017       82.85504 261.8938       
166.4607 233.1904       95.52960 30.92178 10.61449 30.77637 7.460314 0.1454105 
12.97396 
1 1 1 16  34  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  34  9  o 16.41437 5.084090  -13.50114      71.46851 -153.1926      
127.9422 49.85729       86.16506 14.62786 7.045125 18.20087 7.331992 -3.573008 
10.16818 
1 1 1 16  34  10 o 48.35756 5.211984  587.3299       90.20371 466.9153       
161.3873 642.0381       108.7818 42.75734 9.252015 53.95778 4.802011 -11.20044 
10.42397 
1 1 1 16  34  11 o 35.93240 6.417344  332.0967       93.55798 315.7499       
162.9166 340.1404       114.2809 34.29956 10.40693 37.56523 7.511663 -3.265667 
12.83469 
1 1 1 16  34  12 o 27.06080 6.820651  128.1091       98.29267 322.8904       
173.8386 36.57140       119.1715 34.49711 10.80806 19.62449 8.322914 14.87262 
13.64130 
1 1 1 16  34  13 o 47.12469 5.321299  505.6100       102.1466 587.8628       
170.2779 459.3713       127.6691 49.57601 8.181025 44.67338 6.807036 4.902634 
10.64260 
1 1 1 16  34  14 o 27.80026 7.079058  183.0222       104.2552 234.1103       
164.5767 148.7800       134.7378 30.10163 10.53276 25.49890 9.461145 4.602737 
14.15812 
1 1 1 16  34  15 o 36.01212 6.927362  323.6078       99.67696 373.4195       
189.9352 304.6748       117.0977 36.80156 11.25095 35.22267 8.085135 1.578896 
13.85472 
1 1 1 16  34  16 o 17.13331 5.656051  -85.40908      99.18285 -260.5382      
188.2918 -18.15623      116.6830 16.83274 8.206615 17.43389 7.785572 
-0.6011467     11.31210 
1 1 1 16  34  17 o 31.44600 6.927168  274.5140       107.3975 126.9995       
203.4049 331.5350       126.4623 26.35069 11.00822 36.54132 8.412004 -10.19063 
13.85434 
1 1 1 16  34  18 o 24.72860 6.904313  102.1663       102.0707 214.1942       
176.6791 46.04513       125.0504 29.13424 10.82926 20.32296 8.567683 8.811287 
13.80863 
1 1 1 16  34  19 o 33.94555 7.310867  225.6562       112.4686 561.0919       
215.8525 100.6533       131.7687 44.93211 11.41570 22.95898 9.136571 21.97313 
14.62173 
1 1 1 16  34  20 o 26.42392 7.457008  126.7521       117.1710 256.7236       
212.0159 69.60005       140.5919 30.91153 11.77168 21.93632 9.157262 8.975204 
14.91402 
1 1 1 16  34  21 o 21.08929 6.444963  31.74072       108.5524 -115.3861      
193.2530 99.56063       131.2076 19.41011 9.129985 22.76847 9.099096 -3.358364 
12.88993 
1 1 1 16  34  22 o 33.44471 7.455521  313.5828       116.1350 273.2911       
203.4799 333.0488       141.4335 31.26885 11.62185 35.62056 9.341942 -4.351713 
14.91104 
1 1 1 16  34  23 o 25.47812 6.658244  147.7418       112.3760 -125.2624      
211.8350 254.6583       132.5670 19.96863 9.447461 30.98760 9.384793 -11.01897 
13.31649 
1 1 1 16  34  24 o 23.83455 7.461214  71.03117       138.4414 -56.96641      
293.6851 107.5998       156.9768 24.02570 11.28764 23.64340 9.760536 0.3822956 
14.92243 
1 1 1 16  34  25 o 43.99479 8.683113  567.3526       150.6549 690.3550       
313.0388 530.2755       171.8677 43.40468 14.55848 44.58491 9.467658 -1.180229 
17.36623 
1 1 1 16  34  26 f 25.66449 7.537037  156.0749       131.5128 59.81585       
259.6724 189.2831       152.5201 24.68365 11.25261 26.64533 10.03027 -1.961685 
15.07407 
1 1 1 16  34  27 o 19.29586 6.438539  -69.38784      132.3645 -271.5056      
258.2986 2.590513       154.1419 19.12968 9.393280 19.46204 8.808258 
-0.3323631     12.87708 
1 1 1 16  34  28 o 26.54620 7.762661  196.2594       130.6215 256.3469       
249.1781 173.4910       153.3855 28.01148 11.96237 25.08091 9.896330 2.930569 
15.52532 
1 1 1 16  34  29 o 19.64004 6.496914  0.7711401      117.1484 -52.18386      
251.8794 15.38798       132.3323 21.01730 10.06427 18.26279 8.218881 2.754509 
12.99383 
1 1 1 16  34  30 o 22.74736 7.249972  106.4437       135.3306 116.4915       
265.4138 102.9138       157.3168 23.77488 11.04454 21.71985 9.395021 2.055035 
14.49994 
1 1 1 16  35  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  35  4  o 38.00827 4.701872  281.9974       63.86858 527.5548       
141.5802 219.2583       71.56407 45.86993 7.351831 30.14661 5.863531 15.72332 
9.403745 
1 1 1 16  35  5  o 58.87939 3.914517  816.1257       86.54061 756.5811       
158.5072 841.4128       103.2947 56.02732 6.738610 61.73147 3.985589 -5.704151 
7.829035 
1 1 1 16  35  6  o 38.81292 5.770194  360.4797       76.83888 433.0417       
169.7812 341.7889       86.16872 38.88928 10.25216 38.73656 5.298460 0.1527138 
11.54039 
1 1 1 16  35  7  o 23.83082 6.469353  90.78358       82.18317 255.9824       
165.9755 37.12503       94.59323 29.90071 10.56603 17.76092 7.467874 12.13979 
12.93871 
1 1 1 16  35  8  o 20.82510 8.674051  68.49243       125.7123 0.000000       
0.000000 68.49243       125.7123 ?        ?        20.82510 8.674051 ? ? 
1 1 1 16  35  9  o 36.77427 6.469332  381.9560       91.87795 286.4505       
200.0565 407.4844       103.4310 31.34240 11.54718 42.20613 5.837087 -10.86374 
12.93866 
1 1 1 16  35  10 o 31.71181 6.290205  273.2042       86.15621 218.4975       
156.9021 296.8199       103.0883 28.59358 10.25608 34.83004 7.285572 -6.236462 
12.58041 
1 1 1 16  35  11 o 28.48632 5.963781  221.8464       80.76849 115.2827       
145.4350 269.3705       97.12286 23.72099 9.538036 33.25164 7.161886 -9.530649 
11.92756 
1 1 1 16  35  12 o 29.94758 6.249547  246.7803       88.67728 139.2026       
154.5963 299.5325       108.2577 25.03568 9.917310 34.85949 7.607518 -9.823803 
12.49909 
1 1 1 16  35  13 o 41.74177 5.542183  410.7359       91.02434 477.0848       
155.5424 376.1791       112.2531 43.24961 8.871339 40.23393 6.645489 3.015678 
11.08437 
1 1 1 16  35  14 o 27.16420 6.955153  126.7120       104.3145 350.9399       
183.1646 19.07281       126.9059 35.13387 11.10915 19.19454 8.371585 15.93934 
13.91031 
1 1 1 16  35  15 o 20.42362 6.344653  23.05160       103.7374 -26.21875      
173.7344 50.35136       129.3220 20.33907 9.253789 20.50817 8.682505 
-0.1691017     12.68931 
1 1 1 16  35  16 o 44.80241 6.378246  574.6011       107.0363 356.0729       
193.8256 670.4830       128.3884 35.11329 11.45572 54.49154 5.612001 -19.37824 
12.75649 
1 1 1 16  35  17 o 25.48225 7.152419  115.1526       103.8578 249.4033       
199.5744 65.29331       121.6241 30.21727 11.44623 20.74722 8.579762 9.470045 
14.30484 
1 1 1 16  35  18 o 17.63194 5.863800  -82.98152      105.6124 -216.1830      
203.6178 -33.95776      123.5277 18.07409 8.743266 17.18979 7.816130 0.8843060 
11.72760 
1 1 1 16  35  19 o 29.83506 7.471486  188.5756       104.6210 397.5692       
213.6180 122.6273       119.9977 36.29895 12.02640 23.37118 8.868934 12.92777 
14.94297 
1 1 1 16  35  20 o 30.21833 7.758810  206.9994       120.2353 412.0437       
221.9415 121.8240       143.0446 36.55494 12.25847 23.88173 9.514543 12.67321 
15.51762 
1 1 1 16  35  21 o 57.10927 6.725893  892.7750       141.4410 702.0649       
240.8002 993.2318       174.7670 48.82444 11.85028 65.39410 6.365637 -16.56967 
13.45179 
1 1 1 16  35  22 o 31.47305 7.093414  292.0138       116.7202 133.2878       
201.3300 372.3709       143.2506 25.52043 10.82039 37.42566 9.175252 -11.90523 
14.18683 
1 1 1 16  35  23 o 28.51576 7.645694  179.6473       113.6476 376.0656       
224.7217 112.1479       131.7357 34.18664 12.27291 22.84489 9.121524 11.34175 
15.29139 
1 1 1 16  35  24 o 32.57345 7.791220  327.0286       126.5605 280.6616       
232.2043 346.6239       150.9529 30.10015 12.07317 35.04675 9.851452 -4.946590 
15.58244 
1 1 1 16  35  25 o 24.94723 7.363029  32.38178       121.3060 394.4720       
237.6985 -95.13177      141.0575 33.59601 12.54629 16.29845 7.710215 17.29757 
14.72606 
1 1 1 16  35  26 o 25.36042 7.484422  53.48783       123.8155 436.5495       
245.7218 -76.86912      143.3430 34.06189 12.74913 16.65895 7.843843 17.40294 
14.96884 
1 1 1 16  35  27 o 24.68176 7.604240  152.3538       131.2846 186.1055       
291.8355 143.7904       146.9987 25.93356 11.85973 23.42995 9.520754 2.503616 
15.20848 
1 1 1 16  35  28 o 20.73368 6.837193  -2.505665      118.6675 184.3933       
251.8394 -55.84669      134.5398 25.14549 11.32602 16.32187 7.662250 8.823629 
13.67439 
1 1 1 16  36  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 16  36  5  o 23.55106 5.344059  165.3999       68.93187 -12.84810      
153.0923 210.7268       77.20036 18.30318 8.458566 28.79895 6.533647 -10.49577 
10.68812 
1 1 1 16  36  6  o 24.42031 5.941075  172.5506       77.88170 74.87643       
153.1408 206.6257       90.45231 20.99551 9.176302 27.84510 7.548573 -6.849586 
11.88215 
1 1 1 16  36  7  o 25.75417 6.226915  193.0123       85.12092 102.1874       
159.9138 228.9202       100.5491 22.32913 9.560898 29.17920 7.980422 -6.850071 
12.45383 
1 1 1 16  36  8  o 25.35289 6.958784  177.1219       109.2065 79.57456       
204.5954 215.9870       129.1421 23.08052 10.30827 27.62526 9.350842 -4.544741 
13.91757 
1 1 1 16  36  9  o 23.50005 6.777325  125.8471       97.34450 91.97036       
206.6346 135.5099       110.3576 23.72556 10.49656 23.27453 8.576170 0.4510288 
13.55465 
1 1 1 16  36  10 o 22.73008 6.515011  114.2444       94.04900 -32.21952      
218.7704 147.4495       104.1658 21.40268 9.975141 24.05749 8.383200 -2.654804 
13.03002 
1 1 1 16  36  11 o 22.90668 6.834433  11.61018       94.01428 296.6528       
212.5428 -57.72654      104.8270 30.91078 11.78195 14.90259 6.929902 16.00819 
13.66887 
1 1 1 16  36  12 o 34.04178 6.775695  331.4485       98.87181 278.7427       
186.4851 352.0569       116.6105 30.64858 11.16249 37.43497 7.683684 -6.786396 
13.55139 
1 1 1 16  36  13 o 15.15799 5.074929  -108.0461      88.37540 -272.2828      
156.5183 -31.17997      107.0773 14.37354 7.096704 15.94243 7.256473 -1.568892 
10.14986 
1 1 1 16  36  14 o 18.76773 5.890723  13.39893       89.42147 -56.54974      
166.3603 41.82048       106.0435 18.87419 8.758733 18.66127 7.879536 0.2129269 
11.78145 
1 1 1 16  36  15 f 32.42075 6.345488  302.3709       101.6465 120.6791       
163.9362 415.8470       129.5566 24.11471 9.965985 40.72680 7.857482 -16.61209 
12.69098 
1 1 1 16  36  16 o 39.23800 6.085137  433.2122       94.97163 294.4243       
167.2990 499.2036       115.3616 31.92510 10.64299 46.55090 5.902746 -14.62580 
12.17027 
1 1 1 16  36  17 o 19.51319 5.887172  14.41586       96.87627 -213.8571      
173.2100 118.3288       116.8640 16.24311 7.910521 22.78327 8.721171 -6.540159 
11.77434 
1 1 1 16  36  18 o 29.58225 7.163174  215.8422       98.66438 342.2593       
187.4073 167.3672       116.0493 33.66876 11.26446 25.49575 8.851909 8.173012 
14.32635 
1 1 1 16  36  19 o 28.80102 7.347433  190.6867       110.5833 383.1248       
197.0380 102.2025       133.6095 35.21036 11.55026 22.39168 9.084627 12.81868 
14.69487 
1 1 1 16  36  20 o 23.06485 6.956523  96.40015       107.4133 80.34103       
223.8004 101.2066       122.4369 24.18179 10.79118 21.94791 8.781982 2.233881 
13.91305 
1 1 1 16  36  21 o 17.97359 6.021771  -105.4267      122.5631 -379.7131      
238.3774 -6.861062      142.8979 17.21627 8.553030 18.73091 8.478949 -1.514637 
12.04354 
1 1 1 16  36  22 o 19.74273 6.516760  -27.16807      116.7188 -19.95829      
233.9595 -29.55707      134.6753 21.93769 10.25975 17.54777 8.038041 4.389921 
13.03352 
1 1 1 16  36  23 o 21.65630 6.473016  69.86963       114.6405 -226.2939      
228.3595 169.6583       132.5543 18.28491 8.938869 25.02769 9.364634 -6.742777 
12.94603 
1 1 1 16  36  24 o 22.40411 6.970764  81.16776       133.9413 -91.86958      
236.8849 162.4882       162.3930 20.27076 9.719617 24.53746 9.994761 -4.266697 
13.94153 
1 1 1 16  36  25 o 19.68688 6.548001  -22.63118      132.1994 -63.15577      
237.5360 -4.446429      159.1197 20.47445 9.796910 18.89932 8.690559 1.575130 
13.09600 
1 1 1 16  36  26 o 19.37691 6.403199  -25.69729      133.1823 -221.4650      
238.9167 62.56161       160.4188 18.15999 8.945051 20.59383 9.164598 -2.433842 
12.80640 
1 1 1 16  36  27 o 21.71324 7.025852  67.87888       130.9047 104.4404       
255.4416 54.85743       152.4436 23.38580 10.85274 20.04067 8.925716 3.345131 
14.05170 
1 1 1 16  37  8  o 16.74227 5.372351  -5.434721      83.02146 -59.50364      
132.7212 29.32194       106.4108 16.10908 7.574042 17.37546 7.621188 -1.266380 
10.74470 
1 1 1 16  37  9  o 22.53609 6.777605  112.8735       102.7122 172.8257       
195.1591 89.90518       120.7954 24.59404 10.54742 20.47815 8.514433 4.115887 
13.55521 
1 1 1 16  37  10 o 27.98407 7.490781  214.6747       104.7430 374.6042       
223.2092 169.5126       118.6136 31.43750 12.04737 24.53064 8.905512 6.906860 
14.98156 
1 1 1 16  37  11 o 20.82759 6.468791  70.57759       97.23661 40.54325       
212.4418 78.53726       109.3650 21.83189 10.04015 19.82329 8.159437 2.008596 
12.93758 
1 1 1 16  37  12 o 23.88546 7.050233  141.1733       107.7480 119.1974       
234.5106 147.0538       121.3107 24.21841 10.91777 23.55251 8.923303 0.6659012 
14.10047 
1 1 1 16  37  13 o 40.87661 7.294901  525.8947       121.9488 454.7162       
242.3735 550.0215       141.1114 34.73637 12.71840 47.01686 7.148742 -12.28049 
14.58980 
1 1 1 16  37  14 o 24.65322 7.092624  159.3716       110.6417 87.28062       
237.3602 179.3838       125.0592 23.83207 10.83589 25.47437 9.154495 -1.642303 
14.18525 
1 1 1 16  37  15 o 42.13964 6.834617  509.4300       107.6959 490.5470       
216.6385 515.6284       124.1193 37.90695 12.09146 46.37233 6.375310 -8.465378 
13.66923 
1 1 1 16  37  16 o 24.35490 5.993996  144.6182       95.81095 -97.31985      
163.9909 270.0002       118.0553 17.38574 8.266456 31.32406 8.682031 -13.93832 
11.98799 
1 1 1 16  37  17 o 28.76311 6.780198  241.2936       93.84363 224.5980       
173.6342 248.1829       111.5374 27.37067 10.59341 30.15554 8.465461 -2.784863 
13.56040 
1 1 1 16  37  18 o 20.61873 6.001698  72.20490       93.56058 -118.1343      
174.1827 149.3914       110.9204 17.45001 8.359238 23.78745 8.614214 -6.337433 
12.00340 
1 1 1 16  37  19 o 31.38323 7.185428  262.5276       101.2666 437.3982       
188.1398 191.2003       120.1573 36.68498 11.19412 26.08147 9.011832 10.60351 
14.37086 
1 1 1 16  37  20 o 27.84866 6.699219  241.5739       102.8370 110.2469       
185.9845 299.4066       123.4204 23.07380 10.09836 32.62352 8.805756 -9.549719 
13.39844 
1 1 1 16  37  21 o 23.04040 6.590937  84.73003       104.2077 275.8440       
167.9077 -34.99891      132.8997 29.16010 10.59470 16.92071 7.843091 12.23939 
13.18187 
1 1 1 16  37  22 o 21.86849 6.964819  72.71782       119.8335 126.6618       
239.2302 54.64876       138.4562 23.97070 10.89347 19.76628 8.681428 4.204428 
13.92964 
1 1 1 16  37  23 o 20.08876 6.656642  -21.36580      114.7895 158.6315       
241.1096 -74.12171      130.5321 24.49895 11.05586 15.67857 7.416975 8.820388 
13.31328 
1 1 1 16  37  24 o 22.37365 6.968563  99.47505       137.4022 -168.9455      
275.2584 188.5558       158.5714 19.82996 9.724172 24.91735 9.984186 -5.087383 
13.93713 
1 1 1 16  38  13 o 32.84663 7.576039  367.9507       116.4635 373.0046       
247.0379 366.5065       132.0600 30.04225 12.29712 35.65102 8.852473 -5.608767 
15.15208 
1 1 1 16  38  14 o 25.45351 7.434504  198.4799       121.5377 204.2562       
248.6674 196.6670       139.3109 25.45780 11.36737 25.44923 9.584901 
0.8575439E-02  14.86901 
1 1 1 16  38  15 o 24.79413 7.254781  180.9583       115.3984 151.9776       
258.0773 188.2007       129.0145 24.41321 11.15956 25.17504 9.273170 
-0.7618294     14.50956 
1 1 1 16  38  16 o 40.32813 6.963219  577.5305       121.6913 362.2523       
252.1384 642.9054       138.9455 29.68872 12.31996 50.96753 6.493396 -21.27881 
13.92644 
1 1 1 16  38  17 o 23.00429 7.312479  57.69365       112.3011 344.7582       
268.1005 -3.392003      123.6737 28.87166 12.37148 17.13691 7.799736 11.73475 
14.62496 
1 1 1 16  38  18 o 24.47296 7.219754  153.2918       108.2227 267.2426       
223.9907 118.5903       123.6077 27.23586 11.47358 21.71006 8.766780 5.525795 
14.43951 
1 1 1 16  38  19 o 32.63821 6.179059  369.4383       108.6737 83.59286       
214.3662 468.3118       126.0755 22.32377 10.19038 42.95265 6.991362 -20.62888 
12.35812 
1 1 1 16  38  20 o 21.68330 6.388659  114.2072       95.63277 39.69714       
188.5171 140.0261       110.9718 20.70778 9.495768 22.65882 8.549285 -1.951042 
12.77732 
1 1 1 17  -25 0  o 56.81345 5.865649  883.4153       130.3571 928.5447       
168.0916 815.3195       206.4794 61.12085 6.550550 52.50605 9.732095 8.614796 
11.73130 
1 1 1 17  -24 0  o 17.68423 5.840471  -53.54011      108.1848 -7.213775      
140.8539 -120.1833      168.9402 18.25586 8.312996 17.11259 8.206004 1.143267 
11.68094 
1 1 1 17  -24 1  o 58.24289 5.858188  851.3727       134.9692 753.0103       
162.6153 1069.171       241.9769 54.81435 7.066238 61.67142 9.345681 -6.857067 
11.71638 
1 1 1 17  -24 2  o 25.01650 7.376418  143.6170       135.0789 -2.167693      
177.9615 341.7724       207.4785 19.57819 9.075266 30.45481 11.63124 -10.87661 
14.75284 
1 1 1 17  -24 3  f 23.32133 7.146229  138.7046       128.6669 163.7151       
190.6046 117.7664       174.3984 24.12194 10.38647 22.52072 9.818130 1.601215 
14.29246 
1 1 1 17  -23 0  o 29.39967 7.253017  226.7018       109.4474 158.9419       
140.1109 332.7711       175.2994 25.21493 9.579088 33.58440 10.89340 -8.369471 
14.50603 
1 1 1 17  -23 1  f 23.66401 6.895050  120.1736       109.1964 126.6378       
139.0565 109.7756       176.3627 23.53905 9.380044 23.78896 10.10849 
-0.2499104     13.79010 
1 1 1 17  -23 2  o 45.49086 7.444739  601.1921       139.6932 652.4960       
197.6069 549.9410       197.5051 48.07617 10.10983 42.90554 10.93106 5.170628 
14.88948 
1 1 1 17  -23 3  o 54.70466 6.781960  831.9233       151.6175 856.4669       
208.3812 804.3134       221.0150 56.77061 8.742912 52.63871 10.37022 4.131901 
13.56392 
1 1 1 17  -23 4  o 21.15804 6.763409  45.56269       129.1678 -4.311068      
195.7538 84.02355       171.9031 20.39820 9.479446 21.91788 9.649605 -1.519676 
13.52682 
1 1 1 17  -23 5  f 32.69953 8.394765  398.4313       150.2592 468.3208       
217.8267 334.9850       207.5432 35.24939 12.13813 30.14967 11.59974 5.099722 
16.78953 
1 1 1 17  -23 6  o 21.70478 6.900987  53.42701       140.5549 190.5483       
189.2809 -115.1266      209.8570 24.94203 10.52914 18.46753 8.923656 6.474501 
13.80197 
1 1 1 17  -22 0  o 19.65922 6.271141  -22.64344      106.1881 -61.04171      
134.5508 40.76828       172.9081 17.16990 7.932920 22.14855 9.714814 -4.978649 
12.54228 
1 1 1 17  -22 1  o 28.08258 7.364471  191.0102       124.3270 64.06316       
177.4909 313.3004       174.2050 22.92919 9.949506 33.23598 10.86044 -10.30680 
14.72894 
1 1 1 17  -22 2  o 20.55455 6.594259  -12.42388      123.9752 -39.87494      
183.7272 10.52416       167.9835 20.27605 9.329833 20.83306 9.321548 
-0.5570087     13.18852 
1 1 1 17  -22 3  o 23.16377 7.124165  53.46156       130.3816 165.6438       
199.4576 -30.23885      172.2869 26.48586 10.97217 19.84169 9.089905 6.644171 
14.24833 
1 1 1 17  -22 4  o 27.13111 7.657977  196.3938       131.1552 193.1643       
199.9951 198.8307       173.7290 27.12337 11.07710 27.13885 10.57716 
-0.1548576E-01 15.31595 
1 1 1 17  -22 5  o 27.33407 7.723806  204.7128       135.0622 280.3594       
200.3963 141.7509       182.8243 29.93605 11.43162 24.73210 10.38975 5.203957 
15.44761 
1 1 1 17  -22 6  o 32.95841 8.214535  355.7589       138.1133 301.3047       
174.1872 447.9601       226.6568 30.69538 10.82653 35.22144 12.35720 -4.526062 
16.42907 
1 1 1 17  -22 7  o 28.14539 7.421486  256.4508       126.6627 347.6794       
167.9261 136.0453       192.9194 32.60804 10.66292 23.68274 10.32550 8.925308 
14.84297 
1 1 1 17  -22 8  o 30.96103 8.119278  361.0087       144.3146 393.1257       
181.9440 306.5252       236.9755 33.63544 11.09905 28.28661 11.85335 5.348839 
16.23856 
1 1 1 17  -21 0  o 20.44749 6.484417  -18.54238      115.6937 -58.17338      
158.2427 26.96852       169.5758 18.94899 8.693730 21.94600 9.623394 -2.997011 
12.96883 
1 1 1 17  -21 1  o 58.92499 5.658660  816.1014       138.6539 733.3027       
181.4197 932.3911       215.0023 55.59238 7.773028 62.25760 8.225677 -6.665215 
11.31732 
1 1 1 17  -21 2  o 31.76903 7.750816  248.0190       134.4934 103.4446       
179.9154 431.1373       202.4831 24.63544 10.32598 38.90261 11.56178 -14.26718 
15.50163 
1 1 1 17  -21 3  o 75.86838 5.450835  1381.060       172.4600 1418.753       
233.8464 1336.112       255.3620 77.63004 7.175001 74.10672 8.207666 3.523323 
10.90167 
1 1 1 17  -21 4  o 23.32535 7.034455  72.92904       119.6991 28.12813       
155.4167 138.2527       187.6677 20.91536 9.191884 25.73534 10.65099 -4.819979 
14.06891 
1 1 1 17  -21 5  o 26.92524 7.247466  145.0957       130.1798 329.9167       
181.7326 -49.68834      186.5665 33.67025 11.09260 20.18022 9.330451 13.49003 
14.49493 
1 1 1 17  -21 6  o 18.70272 6.197218  -102.4190      126.7329 5.370032       
170.1965 -236.5641      189.8675 20.60419 9.294037 16.80126 8.200178 3.802923 
12.39444 
1 1 1 17  -21 7  o 25.35423 7.358589  156.5475       124.0966 162.2743       
159.0383 147.6331       198.4234 25.32498 10.05030 25.38348 10.75113 
-0.5849838E-01 14.71718 
1 1 1 17  -21 8  o 30.83854 8.173788  299.9116       140.5212 233.6551       
179.1483 405.8661       226.5469 27.81046 10.76099 33.86662 12.30627 -6.056160 
16.34758 
1 1 1 17  -21 9  o 33.02857 7.386529  367.1775       127.4175 474.7181       
166.0934 213.3740       198.6320 39.80941 9.953974 26.24773 10.91612 13.56168 
14.77306 
1 1 1 17  -21 10 o 36.55864 7.211365  390.9709       144.3281 70.90697       
189.9719 827.9097       221.9633 21.54671 9.763743 51.57058 10.61529 -30.02387 
14.42273 
1 1 1 17  -20 0  o 22.96793 6.766737  39.53478       116.5390 158.0634       
161.1929 -90.26704      168.6843 26.90670 10.25909 19.02915 8.826436 7.877554 
13.53347 
1 1 1 17  -20 1  o 24.84710 7.374546  82.90611       129.7250 39.91354       
172.9530 138.2024       196.1459 22.75443 9.846809 26.93976 10.98071 -4.185333 
14.74909 
1 1 1 17  -20 2  o 60.20103 5.695028  855.4362       142.7612 853.3492       
190.6476 858.1004       215.4006 60.56323 7.497963 59.83882 8.574027 0.7244072 
11.39006 
1 1 1 17  -20 3  o 46.91825 6.680377  521.1210       119.5013 456.5577       
143.1852 669.3175       216.9325 43.33079 8.169869 50.50571 10.57180 -7.174919 
13.36075 
1 1 1 17  -20 4  o 37.55109 7.597447  321.6710       118.8130 219.4493       
139.8717 586.5630       225.1609 29.28045 9.731547 45.82173 11.66969 -16.54128 
15.19489 
1 1 1 17  -20 5  o 57.21400 5.940457  798.4194       125.2288 798.1771       
149.7779 798.9821       228.2773 59.28954 6.017147 55.13846 10.24451 4.151073 
11.88091 
1 1 1 17  -20 6  o 35.35789 7.416448  294.0374       112.9518 197.2598       
134.4572 526.0954       208.2069 27.70988 9.537014 43.00589 11.36047 -15.29601 
14.83290 
1 1 1 17  -20 7  o 27.55850 7.487180  166.7577       123.3115 73.63380       
157.7624 312.9915       197.6955 22.45370 9.551420 32.66331 11.53264 -10.20961 
14.97436 
1 1 1 17  -20 8  o 21.80442 6.811615  30.25705       121.9778 -22.87325      
160.8558 102.1471       187.1113 19.47401 8.871968 24.13484 10.33831 -4.660830 
13.62323 
1 1 1 17  -20 9  o 38.54876 7.722913  423.0068       129.0548 333.5244       
164.1718 567.7390       208.7913 33.68299 10.49334 43.41453 11.33417 -9.731537 
15.44583 
1 1 1 17  -20 10 o 24.61780 7.410368  144.1231       135.0022 172.0187       
171.1894 98.23824       219.5551 25.35869 10.28531 23.87691 10.67083 1.481781 
14.82074 
1 1 1 17  -20 11 o 27.59021 7.652704  246.7348       133.4485 314.8808       
183.1508 169.6123       194.8405 30.42254 11.06401 24.75787 10.57559 5.664673 
15.30541 
1 1 1 17  -20 12 o 33.61719 8.084119  415.4323       140.7825 474.1938       
189.0267 342.2370       210.9688 37.20034 11.19448 30.03404 11.66600 7.166298 
16.16824 
1 1 1 17  -19 0  o 34.58939 6.574530  318.9923       104.5219 408.1829       
129.0807 149.1482       178.1258 41.79893 7.639497 27.37985 10.70214 14.41908 
13.14906 
1 1 1 17  -19 1  o 39.32708 6.656042  378.9528       103.8434 375.7104       
126.7943 385.5582       180.9727 39.89880 7.849040 38.75535 10.75194 1.143452 
13.31208 
1 1 1 17  -19 2  o 42.68254 6.648847  458.5894       109.8288 481.7089       
131.4751 405.1992       199.7953 46.19982 6.778355 39.16526 11.44039 7.034561 
13.29769 
1 1 1 17  -19 3  o 71.64583 5.495623  1239.297       137.9594 1294.442       
159.7811 1077.760       273.4725 76.92442 4.947459 66.36723 9.814791 10.55719 
10.99125 
1 1 1 17  -19 4  o 33.23543 7.370531  284.6379       112.2830 286.6306       
140.1022 281.0598       187.7392 33.66140 9.500077 32.80946 11.27153 0.8519440 
14.74106 
1 1 1 17  -19 5  o 25.67770 7.226859  131.3094       111.5511 134.6259       
134.3134 123.9350       200.2799 24.92121 9.404754 26.43418 10.97545 -1.512972 
14.45372 
1 1 1 17  -19 6  o 21.09727 6.551740  20.87448       109.3479 52.44679       
132.4476 -46.71407      193.7882 21.02640 8.838590 21.16814 9.673703 
-0.1417408     13.10348 
1 1 1 17  -19 7  o 22.22296 6.708261  53.75298       112.9334 105.8316       
141.9396 -36.09121      186.4313 23.52991 9.438670 20.91601 9.534911 2.613899 
13.41652 
1 1 1 17  -19 8  o 75.38480 5.293822  1388.668       154.1244 1477.632       
190.0212 1217.604       263.4965 80.97057 5.589796 69.79903 8.991796 11.17154 
10.58764 
1 1 1 17  -19 9  o 71.41660 6.478039  1303.689       192.2328 1142.935       
274.6766 1458.011       269.1250 66.01006 9.911345 76.82312 8.344172 -10.81306 
12.95608 
1 1 1 17  -19 10 o 32.83154 7.566621  300.7640       114.8926 275.7660       
140.2577 351.7508       200.3101 31.69147 9.664226 33.97161 11.64550 -2.280142 
15.13324 
1 1 1 17  -19 11 o 58.82554 5.897009  818.2422       134.2879 722.1664       
158.5628 1061.958       252.5438 54.80091 6.891832 62.85016 9.570868 -8.049244 
11.79402 
1 1 1 17  -19 12 o 19.54913 6.564952  -87.31140      143.1183 -150.5795      
188.5458 -1.299656      219.8383 17.57626 8.486527 21.52201 10.01864 -3.945755 
13.12990 
1 1 1 17  -19 13 o 31.48647 9.209824  342.2978       188.1765 758.0053       
340.6147 159.6810       225.7562 38.40263 14.84251 24.57032 10.90795 13.83231 
18.41965 
1 1 1 17  -18 0  o 29.82725 6.965981  188.8850       98.59872 137.2496       
121.8696 286.7283       167.7596 25.41265 9.046471 34.24186 10.59533 -8.829214 
13.93196 
1 1 1 17  -18 1  o 18.91185 6.025771  -41.99377      99.72891 -19.79807      
126.5903 -78.30668      161.9185 18.55396 8.211228 19.26973 8.821302 
-0.7157688     12.05154 
1 1 1 17  -18 2  o 34.18884 6.378202  289.8287       96.55177 370.6800       
129.7202 189.4016       144.5739 39.71487 8.060665 28.66280 9.886938 11.05206 
12.75640 
1 1 1 17  -18 3  f 42.46724 6.279697  436.3663       107.6035 456.3468       
143.0888 410.3603       163.2442 44.09044 8.026977 40.84405 9.659504 3.246384 
12.55939 
1 1 1 17  -18 4  o 52.32378 5.053178  609.8417       110.0928 536.7619       
145.0833 709.0451       169.0370 48.71626 7.093565 55.93131 7.198596 -7.215057 
10.10636 
1 1 1 17  -18 5  o 60.24802 4.727157  769.1009       115.9248 610.9175       
144.4654 1055.139       194.2656 52.11766 6.602374 68.37836 6.767032 -16.26070 
9.454314 
1 1 1 17  -18 6  o 38.96373 6.325868  370.6780       102.0227 288.3988       
138.6005 467.9814       150.7245 33.89975 9.410913 44.02770 8.455834 -10.12795 
12.65174 
1 1 1 17  -18 7  o 25.96178 7.058973  144.6913       107.5416 147.4124       
141.7930 141.0062       165.0064 25.80843 9.679799 26.11514 10.27706 
-0.3067074     14.11795 
1 1 1 17  -18 8  o 35.37472 6.659454  321.1399       100.6568 329.3817       
138.7839 311.9930       146.2063 36.01982 9.154972 34.72961 9.673665 1.290203 
13.31891 
1 1 1 17  -18 9  o 23.17369 6.713000  83.85116       108.5362 149.2297       
144.3443 -1.201594      164.6365 25.59252 9.722668 20.75487 9.258899 4.837648 
13.42600 
1 1 1 17  -18 10 o 47.39386 6.271719  563.6431       119.3387 530.9941       
158.0340 606.9651       182.0418 46.11629 8.479671 48.67142 9.242997 -2.555122 
12.54344 
1 1 1 17  -18 11 o 25.06838 7.442626  122.0937       127.6716 121.3584       
156.1326 123.5776       221.7962 24.19301 9.818448 25.94375 11.18789 -1.750744 
14.88525 
1 1 1 17  -18 12 o 19.71048 6.439350  -49.07228      125.1731 4.885894       
184.2620 -95.31078      170.5725 21.19618 9.609831 18.22478 8.573918 2.971399 
12.87870 
1 1 1 17  -18 13 o 27.77393 7.382237  194.9082       118.2641 342.9359       
189.6881 100.7796       151.2619 32.96124 11.32928 22.58663 9.467685 10.37461 
14.76447 
1 1 1 17  -18 14 o 34.77610 9.101600  413.7688       156.9692 660.0292       
324.5439 338.5707       179.3410 37.54058 14.49252 32.01161 11.01469 5.528973 
18.20320 
1 1 1 17  -18 15 o 23.58475 7.885711  49.02378       162.4057 350.2439       
361.4182 -27.18770      181.7935 28.10644 12.99185 19.06306 8.941446 9.043379 
15.77142 
1 1 1 17  -17 0  o 115.3790 4.454363  2930.466       195.8371 2964.047       
233.7296 2851.343       358.7708 117.4790 4.738868 113.2790 7.543774 4.199944 
8.908726 
1 1 1 17  -17 1  o 29.82690 6.706988  206.5116       94.33489 220.7202       
123.5710 186.6641       146.0477 30.71254 9.005487 28.94126 9.941628 1.771273 
13.41398 
1 1 1 17  -17 2  o 41.78795 5.771776  382.7869       98.21091 256.6455       
126.8905 571.2501       155.1006 32.91668 8.948359 50.65922 7.292493 -17.74254 
11.54355 
1 1 1 17  -17 3  o 32.12561 6.416263  248.5907       99.48305 364.7607       
133.5396 103.7158       149.1282 39.44505 8.322844 24.80617 9.767496 14.63888 
12.83253 
1 1 1 17  -17 4  o 102.2819 4.328472  2345.846       176.5374 2463.731       
221.6795 2141.470       291.8848 106.6747 4.949771 97.88913 7.102284 8.785599 
8.656943 
1 1 1 17  -17 5  o 21.42008 6.346005  37.34815       96.44122 1.164176       
130.8212 80.42153       142.7330 19.52373 8.507598 23.31643 9.418488 -3.792700 
12.69201 
1 1 1 17  -17 6  o 34.95185 6.523477  292.2667       98.33244 218.9189       
131.8171 384.2957       147.6525 30.10184 9.407654 39.80187 9.039859 -9.700027 
13.04695 
1 1 1 17  -17 7  o 63.55534 4.816644  922.0801       126.4397 1012.601       
170.8473 812.4621       188.0073 67.52492 6.026501 59.58577 7.515420 7.939152 
9.633288 
1 1 1 17  -17 8  o 58.65466 4.618785  774.0348       112.1360 767.8658       
146.8416 782.6655       173.6853 58.71263 5.957150 58.59669 7.060104 0.1159363 
9.237570 
1 1 1 17  -17 9  o 27.69490 6.903261  184.2019       99.72958 189.8244       
133.4118 177.0807       150.1441 27.92957 9.504165 27.46024 10.01453 0.4693336 
13.80652 
1 1 1 17  -17 10 o 39.31277 6.720654  407.0504       108.6039 444.8521       
137.4895 344.3286       177.1022 42.91772 7.928648 35.70781 10.85381 7.209915 
13.44131 
1 1 1 17  -17 11 o 23.68538 6.974616  79.76222       113.4228 156.0194       
179.4961 29.07383       146.3419 26.62453 10.64154 20.74622 9.018794 5.878313 
13.94923 
1 1 1 17  -17 12 o 25.10978 7.462011  116.4825       133.0246 78.35795       
212.0723 141.2133       170.8052 24.66557 10.78928 25.55400 10.31106 
-0.8884296     14.92402 
1 1 1 17  -17 13 o 37.11240 7.904354  415.2460       139.4544 303.0236       
215.0361 496.7020       183.2031 31.88928 11.92840 42.33553 10.37442 -10.44625 
15.80871 
1 1 1 17  -17 14 o 27.27129 7.524199  202.8806       126.3429 134.2141       
217.2226 237.9857       155.3165 25.53139 11.04173 29.01120 10.22421 -3.479803 
15.04840 
1 1 1 17  -17 15 o 31.17790 7.706698  281.0401       134.9799 484.9932       
203.1629 119.8673       180.6030 38.67519 11.59891 23.68061 10.15076 14.99458 
15.41340 
1 1 1 17  -17 16 o 24.92860 7.940434  164.2607       165.8811 102.6980       
349.0631 182.2191       188.5295 24.85339 11.88836 25.00380 10.52943 
-0.1504040     15.88087 
1 1 1 17  -16 0  o 59.90772 4.428057  773.2059       108.6341 755.9832       
138.5066 800.7366       175.1172 59.24595 5.568430 60.56950 6.886460 -1.323547 
8.856113 
1 1 1 17  -16 1  o 74.24442 7.259713  1210.722       226.2884 1210.722       
226.2884 0.000000       0.000000 74.24442 7.259713 ?        ?        ? ? 
1 1 1 17  -16 2  o 95.36137 3.766450  1970.232       146.3215 2008.144       
186.8953 1910.194       235.1906 96.86531 4.595695 93.85743 5.968598 3.007881 
7.532900 
1 1 1 17  -16 3  o 26.55331 6.746302  138.4074       96.03933 99.22851       
127.2892 190.1869       146.3338 23.84117 9.108903 29.26546 9.953806 -5.424292 
13.49260 
1 1 1 17  -16 4  o 87.37610 4.000441  1648.612       146.3460 1769.607       
217.0291 1547.719       198.1816 90.26640 5.726811 84.48579 5.587283 5.780617 
8.000881 
1 1 1 17  -16 5  o 22.58207 6.354117  63.67254       95.62169 132.6434       
126.4088 -28.58387      146.1985 25.41970 9.196911 19.74444 8.770179 5.675259 
12.70823 
1 1 1 17  -16 6  o 57.74097 4.890202  759.9752       114.6295 849.5498       
150.9285 637.8728       176.2143 62.35651 5.765150 53.12544 7.900592 9.231068 
9.780404 
1 1 1 17  -16 7  o 48.77832 5.825361  550.9296       114.6509 552.7629       
150.0809 548.3602       177.6701 49.62952 7.202883 47.92713 9.157390 1.702389 
11.65072 
1 1 1 17  -16 8  o 26.08503 6.844562  143.2392       99.69420 145.8431       
136.8171 140.2917       145.5672 26.09532 9.555543 26.07475 9.802230 
0.2057076E-01  13.68912 
1 1 1 17  -16 9  o 33.57461 7.460581  287.9811       118.0029 248.9595       
183.1633 315.6697       154.2895 31.71943 11.11040 35.42979 9.959928 -3.710361 
14.92116 
1 1 1 17  -16 10 o 73.19302 5.100281  1227.851       154.1345 1212.258       
238.8518 1238.979       201.7687 72.20975 7.878685 74.17628 6.479027 -1.966530 
10.20056 
1 1 1 17  -16 11 o 27.84956 7.636966  133.4922       123.6799 306.3713       
217.9028 51.32703       150.2227 33.69640 12.08643 22.00273 9.338692 11.69366 
15.27393 
1 1 1 17  -16 12 f 22.60908 6.544380  35.35188       115.2973 -189.4697      
182.0569 185.9046       148.9815 17.61132 8.462912 27.60684 9.984726 -9.995522 
13.08876 
1 1 1 17  -16 13 o 41.03860 7.348277  454.9544       125.0273 451.0646       
200.1261 457.4445       160.1208 39.92017 11.38246 42.15703 9.296679 -2.236866 
14.69655 
1 1 1 17  -16 14 o 39.19403 8.103279  448.7577       141.8965 466.2690       
195.3249 429.1883       206.4837 40.37302 11.15871 38.01504 11.75312 2.357983 
16.20656 
1 1 1 17  -16 15 o 28.78538 11.02123  230.6600       186.6693 0.000000       
0.000000 230.6600       186.6693 ?        ?        28.78538 11.02123 ? ? 
1 1 1 17  -16 16 o 23.81197 7.325235  99.26173       140.4635 2.483506       
223.9205 162.0506       180.3625 22.17024 10.23961 25.45370 10.47791 -3.283455 
14.65047 
1 1 1 17  -16 17 o 30.18171 8.861280  315.9287       163.9510 475.8196       
360.4403 274.2170       184.0985 31.53041 13.91740 28.83300 10.97247 2.697409 
17.72256 
1 1 1 17  -16 18 o 23.84269 7.719062  133.5262       167.4377 45.35076       
342.8520 161.1429       191.8754 23.64125 11.42061 24.04413 10.38775 
-0.4028740     15.43812 
1 1 1 17  -15 0  o 80.07620 3.735457  1356.474       123.5341 1289.877       
159.2610 1457.066       195.7325 77.74873 4.879071 82.40366 5.657668 -4.654930 
7.470913 
1 1 1 17  -15 1  o 33.87305 6.604190  249.9061       97.16365 181.4324       
125.1019 354.0081       154.2524 28.66683 9.192954 39.07926 9.484245 -10.41242 
13.20838 
1 1 1 17  -15 2  o 22.44639 9.334937  40.32464       145.2503 0.000000       
0.000000 40.32464       145.2503 ?        ?        22.44639 9.334937 ? ? 
1 1 1 17  -15 3  o 32.05627 6.291781  235.2182       98.72652 371.3533       
133.7452 72.22565       146.3447 40.35177 8.179989 23.76077 9.562104 16.59100 
12.58356 
1 1 1 17  -15 4  o 29.60109 6.893283  189.2764       100.8786 134.5373       
137.9527 252.1885       147.8932 26.24014 9.596431 32.96204 9.898379 -6.721903 
13.78657 
1 1 1 17  -15 5  o 58.94237 4.652018  751.4150       114.0736 623.1428       
154.1512 906.6903       169.6023 53.32482 6.885547 64.55992 6.257341 -11.23510 
9.304036 
1 1 1 17  -15 6  o 54.64014 4.982665  632.7198       111.8272 538.7650       
141.3830 789.7162       182.7606 49.52104 6.800307 59.75925 7.284477 -10.23821 
9.965329 
1 1 1 17  -15 7  o 76.76328 4.169262  1276.669       132.2772 1240.959       
171.6104 1328.943       207.6311 75.67716 5.401319 77.84940 6.352697 -2.172241 
8.338525 
1 1 1 17  -15 8  o 80.48685 4.971170  1447.870       166.1689 1386.912       
250.4568 1495.802       222.0890 78.58982 7.590800 82.38387 6.421050 -3.794044 
9.942340 
1 1 1 17  -15 9  o 70.20169 4.963059  1072.277       144.2095 1347.175       
225.2612 881.3717       187.7194 77.68797 6.906431 62.71541 7.129449 14.97256 
9.926119 
1 1 1 17  -15 10 o 37.50391 7.305314  339.8425       118.5577 452.9159       
186.3219 262.9133       153.6842 42.38852 10.50868 32.61930 10.15077 9.769226 
14.61063 
1 1 1 17  -15 11 o 33.75161 7.315981  276.9515       131.9052 61.57769       
193.4300 464.1644       180.3412 24.62579 10.52878 42.87742 10.16066 -18.25163 
14.63196 
1 1 1 17  -15 12 o 25.53167 6.983457  73.72118       114.2318 273.4476       
182.7351 -54.39100      146.3522 32.53495 11.12315 18.52839 8.446902 14.00656 
13.96691 
1 1 1 17  -15 13 o 59.30194 5.983114  829.3523       147.3015 929.6932       
229.8951 759.4682       191.8579 61.96689 8.836720 56.63699 8.068643 5.329899 
11.96623 
1 1 1 17  -15 14 o 36.56820 7.855876  378.0347       130.9397 326.1346       
227.7583 403.6572       160.0300 33.81261 12.33397 39.32380 9.733051 -5.511189 
15.71175 
1 1 1 17  -15 15 o 43.75821 7.861465  528.4362       142.8813 593.1141       
224.3159 484.2793       185.3453 45.43519 11.69330 42.08123 10.51081 3.353954 
15.72293 
1 1 1 17  -15 16 o 37.06139 7.598170  373.9237       146.7320 117.3550       
200.3642 670.6650       215.4802 25.11321 10.72583 49.00956 10.76501 -23.89635 
15.19634 
1 1 1 17  -15 17 o 20.53982 6.694062  -58.19151      141.0880 81.44649       
189.3711 -232.4004      211.5179 23.25893 10.18455 17.82070 8.690040 5.438234 
13.38812 
1 1 1 17  -15 18 o 21.45135 7.446640  -143.8406      185.7648 0.2773713      
386.3351 -187.1824      211.8646 24.87551 12.03515 18.02719 8.772973 6.848322 
14.89328 
1 1 1 17  -15 19 o 31.33798 8.379928  417.3562       190.3886 -9.588593      
382.5304 557.9410       219.5075 23.65724 11.56616 39.01871 12.12917 -15.36148 
16.75986 
1 1 1 17  -14 0  o 50.89859 5.266117  550.4763       111.2612 489.4167       
144.6852 638.8321       174.0461 47.55599 7.246694 54.24119 7.642865 -6.685196 
10.53223 
1 1 1 17  -14 1  o 40.33127 6.158901  346.5530       96.44326 298.9745       
116.7639 448.6975       171.0846 36.39722 7.864350 44.26532 9.480520 -7.868103 
12.31780 
1 1 1 17  -14 2  o 87.79417 3.701070  1644.484       134.0542 1637.741       
174.0621 1654.314       210.1619 87.71095 4.726847 87.87739 5.696366 
-0.1664352     7.402139 
1 1 1 17  -14 3  o 27.70513 6.823081  158.1689       97.88773 183.3251       
131.1309 126.5075       147.1115 28.97183 9.422570 26.43844 9.870811 2.533388 
13.64616 
1 1 1 17  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -14 5  o 53.98650 4.720068  641.4767       105.0107 695.9611       
140.0255 571.4512       158.7448 56.84431 5.867339 51.12869 7.395302 5.715622 
9.440135 
1 1 1 17  -14 6  o 35.96003 6.636411  295.9048       100.4525 260.4185       
131.5731 345.4953       155.5379 33.51586 9.112300 38.40420 9.650586 -4.888344 
13.27282 
1 1 1 17  -14 7  o 45.55233 7.014504  523.4268       131.9244 312.7481       
210.5327 659.6329       169.2807 36.37056 11.93924 54.73410 7.366658 -18.36354 
14.02901 
1 1 1 17  -14 8  o 88.81653 4.586583  1719.349       168.8316 1761.220       
261.5280 1689.432       221.0673 89.46957 6.962479 88.16349 5.972509 1.306084 
9.173166 
1 1 1 17  -14 9  o 67.42581 5.135545  993.2377       143.2361 1107.330       
226.7814 917.5169       184.7514 70.37672 7.675374 64.47491 6.825242 5.901810 
10.27109 
1 1 1 17  -14 10 o 51.17903 6.604191  589.4662       135.6794 894.1208       
214.3267 385.7263       175.2712 62.77289 8.132521 39.58517 10.40786 23.18773 
13.20838 
1 1 1 17  -14 11 o 25.97032 7.203964  120.7881       116.5954 61.72335       
177.8591 165.2995       154.3999 24.28597 10.22713 27.65468 10.14861 -3.368706 
14.40793 
1 1 1 17  -14 12 o 35.58839 7.573407  321.7472       126.6514 227.0998       
181.8525 410.8969       176.4919 30.83877 11.04345 40.33800 10.36669 -9.499226 
15.14681 
1 1 1 17  -14 13 o 38.64856 7.473574  321.1165       126.1183 640.8947       
224.2108 173.1060       152.5381 49.74173 11.02796 27.55540 10.08967 22.18633 
14.94715 
1 1 1 17  -14 14 o 54.82283 6.052598  715.2695       138.6557 737.3352       
207.2282 697.3835       186.5718 55.29802 8.926073 54.34765 8.176855 0.9503708 
12.10520 
1 1 1 17  -14 15 o 33.93298 7.651180  303.6581       120.6535 354.4264       
191.9662 270.5076       155.1219 35.79039 11.37867 32.07557 10.23172 3.714821 
15.30236 
1 1 1 17  -14 16 o 53.23417 7.269400  780.1218       154.4118 550.4961       
234.1951 956.7094       205.3749 43.16175 12.31535 63.30659 7.727154 -20.14484 
14.53880 
1 1 1 17  -14 17 o 38.38400 8.616116  450.8963       155.4789 454.3554       
236.3098 448.2558       206.4612 37.94413 12.64904 38.82386 11.70263 
-0.8797302     17.23223 
1 1 1 17  -14 18 o 28.78961 8.006554  200.9838       143.1418 381.8634       
230.3616 87.21766       182.6929 34.20242 12.41130 23.37680 10.11826 10.82561 
16.01311 
1 1 1 17  -14 19 o 29.46070 8.673381  285.0486       169.5774 294.2478       
337.5891 281.9441       196.1153 29.25573 13.14882 29.66566 11.31453 
-0.4099369     17.34676 
1 1 1 17  -14 20 o 25.62155 8.143172  194.3133       172.4012 96.64677       
409.5476 215.3474       190.0614 25.18487 12.23775 26.05823 10.74628 
-0.8733578     16.28634 
1 1 1 17  -13 0  o 40.34605 6.341196  361.4445       103.4463 324.3376       
134.2177 415.7414       162.3566 37.88858 8.628062 42.80351 9.295137 -4.914928 
12.68239 
1 1 1 17  -13 1  o 23.55756 6.269688  57.86568       98.60777 181.5065       
126.8004 -131.3159      156.8481 28.93427 9.252777 18.18084 8.462981 10.75343 
12.53938 
1 1 1 17  -13 2  o 38.94156 6.451502  356.5711       106.7240 441.5099       
138.8232 233.8271       166.8820 45.20848 7.314141 32.67465 10.62971 12.53383 
12.90300 
1 1 1 17  -13 3  o 33.40543 6.438427  262.6312       101.0835 371.5919       
131.7460 106.6810       157.6142 40.70612 7.993924 26.10473 10.09508 14.60138 
12.87685 
1 1 1 17  -13 4  o 86.18703 4.067390  1581.380       143.6837 1550.530       
183.5100 1630.257       230.9827 85.27849 5.125560 87.09558 6.316906 -1.817093 
8.134781 
1 1 1 17  -13 5  o 84.97813 4.280958  1551.990       148.6873 1555.552       
190.0158 1546.365       238.7974 85.32760 5.304217 84.62867 6.720987 0.6989288 
8.561915 
1 1 1 17  -13 6  o 45.09571 11.19206  480.0891       211.1674 480.0891       
211.1674 0.000000       0.000000 45.09571 11.19206 ?        ?        ? ? 
1 1 1 17  -13 7  o 54.29980 5.928891  663.1709       129.0522 634.1599       
201.1926 683.4515       168.2171 52.58659 9.457183 56.01301 7.153230 -3.426422 
11.85778 
1 1 1 17  -13 8  o 23.18587 6.636055  19.59234       114.5638 -179.9809      
179.2435 157.4295       148.9620 18.51804 8.734402 27.85370 9.992953 -9.335657 
13.27211 
1 1 1 17  -13 9  o 57.13331 5.435598  702.5435       127.3433 812.0544       
208.4965 637.3849       160.8259 60.37953 8.224889 53.88709 7.108734 6.492439 
10.87120 
1 1 1 17  -13 10 o 45.40814 6.650695  493.1793       123.3645 389.9484       
186.6301 573.2858       164.4035 40.05928 10.83539 50.75700 7.715006 -10.69773 
13.30139 
1 1 1 17  -13 11 o 40.94359 6.975317  388.7375       118.7755 533.8281       
185.4772 287.8770       154.6435 47.31435 9.671339 34.57282 10.05412 12.74154 
13.95063 
1 1 1 17  -13 12 o 64.77707 5.604441  942.2236       149.0519 994.8998       
239.0841 908.7340       190.6327 65.78175 8.656981 63.77238 7.120094 2.009361 
11.20888 
1 1 1 17  -13 13 o 61.05172 5.918712  844.8766       150.0444 972.8428       
234.3568 755.9854       195.3257 64.72555 8.624279 57.37788 8.108416 7.347664 
11.83742 
1 1 1 17  -13 14 o 21.25848 6.615433  -44.74149      116.1680 108.1655       
184.1121 -145.8812      149.7371 25.85547 10.60516 16.66148 7.911159 9.193985 
13.23087 
1 1 1 17  -13 15 o 34.82192 7.670328  315.2026       122.4038 330.7592       
193.7181 304.8637       157.9244 35.22009 11.45254 34.42375 10.20661 0.7963409 
15.34066 
1 1 1 17  -13 16 o 60.12949 5.733268  851.2240       144.0567 940.5745       
216.8709 780.6691       192.7155 62.83045 8.221520 57.42854 7.993001 5.401909 
11.46654 
1 1 1 17  -13 17 o 48.86531 7.355381  632.0548       144.6205 617.0172       
235.6217 641.1442       183.1857 46.44010 12.00157 51.29053 8.506980 -4.850426 
14.71076 
1 1 1 17  -13 18 o 36.74242 8.088473  381.8203       142.9293 539.9493       
214.5024 255.5472       191.6822 43.12468 11.59476 30.36017 11.28074 12.76451 
16.17695 
1 1 1 17  -13 19 o 21.80984 7.335251  -69.21687      160.0244 -112.2859      
328.2769 -55.79268      183.2744 23.88591 11.45036 19.73377 9.171302 4.152140 
14.67050 
1 1 1 17  -13 20 o 21.71442 7.320031  -44.09414      167.1572 -369.2041      
399.2908 24.99066       184.0625 22.22356 11.04462 21.20529 9.609774 1.018274 
14.64006 
1 1 1 17  -13 21 o 24.13370 8.097021  38.41298       188.6646 344.7341       
368.2620 -70.59527      219.6839 28.49969 13.15096 19.76772 9.449822 8.731972 
16.19404 
1 1 1 17  -12 0  o 81.81297 3.959220  1396.906       130.7311 1330.923       
162.0789 1519.764       221.1614 79.22964 4.872589 84.39629 6.241759 -5.166649 
7.918439 
1 1 1 17  -12 1  o 79.95927 4.509988  1327.206       143.1568 1252.393       
173.8132 1484.991       252.4207 76.75447 5.393865 83.16406 7.229535 -6.409592 
9.019976 
1 1 1 17  -12 2  o 119.6939 3.729334  2980.816       179.2552 2833.374       
220.7297 3266.402       307.1992 115.6330 4.546740 123.7548 5.912605 -8.121849 
7.458669 
1 1 1 17  -12 3  o 134.6210 4.893572  3941.095       260.3361 4045.846       
321.0510 3739.970       444.8646 137.8091 5.549034 131.4329 8.062035 6.376129 
9.787144 
1 1 1 17  -12 4  o 113.1972 4.022568  2695.144       180.1473 2619.849       
219.2512 2851.602       316.0502 111.0905 4.700957 115.3039 6.528799 -4.213409 
8.045135 
1 1 1 17  -12 5  f 88.34846 4.467265  1663.365       164.9724 1897.667       
243.3932 1464.243       224.3775 94.11342 6.159961 82.58352 6.471531 11.52990 
8.934530 
1 1 1 17  -12 6  o 37.39525 7.499220  323.8510       123.2681 290.2298       
186.0925 350.1368       164.5444 35.79303 11.17621 38.99747 10.00228 -3.204441 
14.99844 
1 1 1 17  -12 7  o 27.14061 10.10369  134.0070       153.9139 0.000000       
0.000000 134.0070       153.9139 ?        ?        27.14061 10.10369 ? ? 
1 1 1 17  -12 8  o 104.0427 4.849560  2327.710       206.2329 2417.606       
334.3999 2272.530       261.9901 105.3068 7.563642 102.7787 6.071596 2.528061 
9.699121 
1 1 1 17  -12 9  o 65.15533 5.646145  897.6812       150.9322 1109.587       
247.7998 772.6998       190.3062 70.90704 8.324013 59.40363 7.630639 11.50340 
11.29229 
1 1 1 17  -12 10 o 114.7679 4.967940  2909.746       228.1174 2762.623       
379.3660 2993.070       285.4985 111.7390 8.086761 117.7967 5.772870 -6.057693 
9.935881 
1 1 1 17  -12 11 o 26.95492 7.392862  126.0946       118.2890 124.4498       
184.3427 127.2458       154.2284 27.49595 10.84917 26.41390 10.04556 1.082050 
14.78572 
1 1 1 17  -12 12 o 77.94764 4.956914  1345.213       161.6812 1281.777       
234.3720 1402.813       223.3309 76.00099 7.345265 79.89429 6.658158 -3.893295 
9.913829 
1 1 1 17  -12 13 o 63.87381 5.232916  923.7228       138.2372 809.9697       
204.2729 1019.831       187.7628 59.78857 8.137923 67.95905 6.580870 -8.170486 
10.46583 
1 1 1 17  -12 14 o 77.08943 4.866324  1308.783       152.6334 1405.380       
251.8446 1252.703       191.8910 78.78442 7.614010 75.39445 6.062284 3.389969 
9.732648 
1 1 1 17  -12 15 o 56.86916 6.077707  738.8110       140.9497 829.8065       
232.8834 686.2097       177.0625 59.00107 9.401555 54.73726 7.704859 4.263809 
12.15541 
1 1 1 17  -12 16 o 68.66331 5.443361  1080.370       155.8069 1179.309       
238.0285 1006.198       206.0940 71.16085 7.967258 66.16577 7.419133 4.995079 
10.88672 
1 1 1 17  -12 17 o 17.73399 6.098303  -271.5406      140.9487 -168.7587      
213.5407 -350.8906      187.6272 19.80885 9.425416 15.65913 7.740718 4.149714 
12.19661 
1 1 1 17  -12 18 o 30.03399 7.701540  204.7424       140.4213 389.8846       
198.9428 20.92337       198.2306 37.14711 11.54696 22.92087 10.19424 14.22624 
15.40308 
1 1 1 17  -12 19 o 60.14640 6.393393  904.0757       160.8213 837.4226       
216.1516 986.7244       240.6941 57.83311 8.902313 62.45969 9.178818 -4.626579 
12.78679 
1 1 1 17  -12 20 o 29.06553 8.981920  177.1552       193.1235 385.4574       
347.5168 84.08136       232.2964 33.25314 14.16158 24.87791 11.05211 8.375235 
17.96384 
1 1 1 17  -12 21 o 23.36542 7.925281  -44.94360      203.2932 -136.2978      
414.0817 -15.93155      233.3517 24.68306 12.05977 22.04778 10.28602 2.635281 
15.85056 
1 1 1 17  -12 22 o 25.16363 8.274430  136.4344       202.8215 238.9446       
340.5199 80.07153       252.4967 26.96201 12.51930 23.36524 10.82275 3.596767 
16.54886 
1 1 1 17  -11 0  o 112.9176 3.214596  2726.137       148.7808 2850.632       
193.3101 2545.229       233.0277 116.2132 3.962050 109.6221 5.063265 6.591156 
6.429191 
1 1 1 17  -11 1  o 70.50958 4.157819  1061.274       117.3917 1072.326       
146.0678 1041.115       197.2762 71.16492 4.888882 69.85423 6.726714 1.310692 
8.315639 
1 1 1 17  -11 2  o 82.91191 4.871037  1579.612       150.0134 1747.935       
181.1188 1211.850       267.7168 90.86405 4.747799 74.95976 8.506844 15.90429 
9.742073 
1 1 1 17  -11 3  o 84.38822 3.809634  1465.575       127.1449 1380.192       
153.6947 1650.693       226.3070 80.75568 4.533221 88.02076 6.123982 -7.265076 
7.619269 
1 1 1 17  -11 4  o 30.75788 6.600324  154.6020       101.8554 24.42933       
128.7453 372.3929       166.5295 21.01060 8.766387 40.50516 9.869527 -19.49456 
13.20065 
1 1 1 17  -11 5  o 52.42010 6.125109  590.2521       129.0432 800.0605       
198.6112 436.9785       169.7565 60.90087 7.767860 43.93932 9.472497 16.96154 
12.25022 
1 1 1 17  -11 6  o 33.71796 7.625997  250.6326       122.4248 222.0174       
180.7393 274.8920       166.4158 32.47147 11.06224 34.96445 10.50001 -2.492977 
15.25199 
1 1 1 17  -11 7  o 63.65403 5.372961  839.1005       139.1801 1202.162       
221.3177 601.5861       179.0074 74.68907 7.057976 52.61898 8.103073 22.07009 
10.74592 
1 1 1 17  -11 8  o 76.87033 5.327278  1306.298       166.9132 1152.534       
259.7592 1414.436       217.8377 72.60086 8.522169 81.13979 6.394699 -8.538933 
10.65456 
1 1 1 17  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -11 10 o 29.64939 7.209132  171.9374       120.2990 12.20527       
184.3366 290.4328       158.7691 23.85608 10.24154 35.44269 10.14875 -11.58661 
14.41826 
1 1 1 17  -11 11 o 73.26292 4.658885  1110.062       139.6477 1428.696       
231.3137 927.3260       175.1728 81.07397 6.795805 65.45188 6.374784 15.62209 
9.317770 
1 1 1 17  -11 12 o 101.7811 4.743084  2230.065       198.6158 2409.165       
318.6716 2116.300       253.9800 104.7576 7.245677 98.80457 6.122708 5.953018 
9.486168 
1 1 1 17  -11 13 f 28.21188 7.269915  139.7085       129.5354 -102.0779      
215.0156 277.4578       162.2927 22.23023 10.17185 34.19353 10.38942 -11.96330 
14.53983 
1 1 1 17  -11 14 o 79.51866 4.923437  1380.462       163.0320 1567.593       
250.8378 1243.593       214.5222 84.02745 7.110380 75.00988 6.812005 9.017570 
9.846873 
1 1 1 17  -11 15 f 34.74557 7.681285  300.6153       126.6900 237.3038       
189.2849 351.9930       170.5149 31.80486 11.27908 37.68628 10.43028 -5.881418 
15.36257 
1 1 1 17  -11 16 o 53.32355 6.889115  688.1003       150.4738 775.7445       
215.5249 604.7493       210.1798 57.49647 8.928476 49.15062 10.49390 8.345852 
13.77823 
1 1 1 17  -11 17 o 18.08825 6.157132  -209.5163      131.3926 -179.7191      
216.1660 -226.9757      165.4682 20.00879 9.502815 16.16770 7.831832 3.841091 
12.31426 
1 1 1 17  -11 18 o 62.55151 6.063692  937.2280       156.8848 921.1717       
240.7818 949.0733       206.8101 61.36807 9.345493 63.73496 7.728854 -2.366894 
12.12738 
1 1 1 17  -11 19 o 54.70603 7.874287  768.8671       170.3631 643.5522       
213.1690 990.4052       283.4307 49.20612 10.62086 60.20594 11.62820 -10.99983 
15.74857 
1 1 1 17  -11 20 o 27.64538 8.157532  140.8364       158.6399 32.26827       
206.7545 296.2496       247.3704 23.26251 10.37676 32.02825 12.58984 -8.765738 
16.31506 
1 1 1 17  -11 21 o 25.34561 8.416655  7.380781       209.1269 -27.38375      
407.2781 19.82860       243.7079 26.88865 12.85701 23.80257 10.86543 3.086084 
16.83331 
1 1 1 17  -11 22 o 27.18732 8.774677  156.5411       220.9064 227.0837       
333.9332 101.6479       294.5734 28.58157 12.94860 25.79307 11.84540 2.788494 
17.54935 
1 1 1 17  -11 23 o 29.60498 9.065954  351.6517       204.3033 413.5595       
325.1068 311.2477       262.6429 30.45422 13.33972 28.75574 12.28080 1.698475 
18.13191 
1 1 1 17  -10 0  o 80.27411 3.657458  1321.305       113.7248 1258.522       
135.2203 1473.046       210.2187 77.22853 4.170472 83.31969 6.009588 -6.091156 
7.314916 
1 1 1 17  -10 1  o 27.92896 5.614046  4.535653       92.42789 -196.1080      
113.1908 406.0320       160.1176 13.22108 6.427254 42.63683 9.206543 -29.41575 
11.22809 
1 1 1 17  -10 2  o 47.74937 5.354781  476.7023       104.7163 442.3920       
132.2332 534.4053       171.4855 45.56583 6.912295 49.93292 8.180153 -4.367088 
10.70956 
1 1 1 17  -10 3  o 162.0969 5.376534  5543.351       333.3894 5434.438       
395.3140 5811.616       620.4217 159.9864 5.885458 164.2074 8.999437 -4.220993 
10.75307 
1 1 1 17  -10 4  o 61.71803 5.879155  856.2629       142.0355 607.4230       
205.7515 1082.807       196.3175 52.15239 9.758431 71.28367 6.559792 -19.13128 
11.75831 
1 1 1 17  -10 5  o 72.29358 5.107852  1117.405       154.8950 1150.072       
224.8285 1087.891       213.7039 73.28173 7.307633 71.30542 7.138565 1.976311 
10.21570 
1 1 1 17  -10 6  o 46.74498 6.797193  491.8791       128.8735 480.4916       
180.7747 503.6472       183.7716 46.17004 9.640445 47.31993 9.584840 -1.149895 
13.59439 
1 1 1 17  -10 7  o 85.86186 4.633854  1562.352       165.9872 1450.158       
220.1809 1710.055       252.6337 82.37061 6.366906 89.35311 6.734457 -6.982498 
9.267708 
1 1 1 17  -10 8  o 99.93293 4.408298  2133.534       184.4815 2176.151       
271.8311 2097.145       251.1829 100.7991 6.423382 99.06679 6.039250 1.732285 
8.816596 
1 1 1 17  -10 9  o 47.01201 6.793900  480.0909       132.5820 750.9417       
203.7453 281.1697       174.6075 58.73964 8.261851 35.28438 10.78750 23.45526 
13.58780 
1 1 1 17  -10 10 o 59.93083 6.910693  775.0897       173.8805 0.000000       
0.000000 775.0897       173.8805 ?        ?        59.93083 6.910693 ? ? 
1 1 1 17  -10 11 f 94.82471 5.128036  1944.425       197.1433 1980.342       
324.6670 1923.448       248.1238 95.11478 8.130387 94.53462 6.251707 0.5801620 
10.25607 
1 1 1 17  -10 12 o 59.75070 5.579376  751.2213       135.9121 920.7849       
227.7547 657.4433       169.3758 64.60107 8.397476 54.90034 7.348479 9.700726 
11.15875 
1 1 1 17  -10 13 o 26.99288 7.360141  98.59764       121.0854 217.2608       
187.5076 13.71861       158.5846 31.77065 11.23013 22.21511 9.516874 9.555538 
14.72028 
1 1 1 17  -10 14 o 45.47337 7.615723  491.7303       140.0208 525.2535       
228.0100 471.4340       177.4147 46.25327 11.72170 44.69347 9.726189 1.559795 
15.23145 
1 1 1 17  -10 15 o 36.36427 6.662426  246.1018       128.9461 629.8796       
197.4731 -39.16959      170.2540 51.70504 9.447992 21.02349 9.396123 30.68155 
13.32485 
1 1 1 17  -10 16 o 35.57156 7.720564  299.6105       128.9092 421.3778       
195.9179 206.6465       171.1852 40.97469 11.11013 30.16842 10.72350 10.80628 
15.44113 
1 1 1 17  -10 17 o 78.49689 5.449872  1372.165       177.4759 1688.907       
274.5694 1144.858       232.5977 86.19758 7.587142 70.79620 7.825581 15.40137 
10.89974 
1 1 1 17  -10 18 o 46.07449 7.612731  545.1281       145.0565 475.2983       
202.0893 619.3407       208.3350 42.62553 11.16127 49.52345 10.35571 -6.897919 
15.22546 
1 1 1 17  -10 19 o 24.19851 7.275664  70.46474       130.0603 23.65463       
196.1429 107.1975       173.7520 23.30789 10.28008 25.08913 10.29859 -1.781239 
14.55133 
1 1 1 17  -10 20 o 28.24334 8.205802  138.8787       156.8357 30.90662       
201.4234 305.1388       249.9472 23.40996 10.35932 33.07672 12.72891 -9.666761 
16.41160 
1 1 1 17  -10 21 o 39.67926 9.748907  510.9675       240.8431 84.74338       
360.5679 854.3282       323.6260 28.43797 13.07903 50.92054 14.46042 -22.48257 
19.49781 
1 1 1 17  -10 22 o 24.20213 8.055856  -98.52221      196.4506 191.2329       
335.5648 -249.6144      242.3158 29.15969 13.10729 19.24457 9.369424 9.915121 
16.11171 
1 1 1 17  -10 23 o 28.84950 8.639315  245.3068       173.0390 281.1263       
311.7706 229.3605       208.0204 29.64916 13.02461 28.04984 11.35388 1.599323 
17.27863 
1 1 1 17  -10 24 o 32.88743 9.559216  457.8975       200.2419 630.1138       
365.5553 384.0704       239.3446 34.36124 14.57511 31.41362 12.37257 2.947620 
19.11843 
1 1 1 17  -9  0  o 161.5701 4.625714  5589.726       292.7634 5673.454       
356.6931 5416.883       512.4899 163.7903 5.187134 159.3499 7.660454 4.440384 
9.251428 
1 1 1 17  -9  1  o 122.0296 4.040301  3078.086       195.0175 2936.217       
236.3080 3381.043       345.3225 117.8941 4.774275 126.1651 6.519388 -8.270973 
8.080602 
1 1 1 17  -9  2  o 104.1554 3.408986  2309.755       146.7526 2403.194       
193.6727 2183.771       224.8869 106.7147 4.322799 101.5961 5.272396 5.118599 
6.817973 
1 1 1 17  -9  3  o 97.42743 4.057305  2019.973       165.2267 2145.315       
228.2405 1881.962       239.4976 100.6688 5.400310 94.18604 6.056695 6.482788 
8.114610 
1 1 1 17  -9  4  o 82.33016 4.779169  1438.583       164.3112 1407.442       
220.2293 1477.683       246.7715 81.37801 6.445982 83.28232 7.057700 -1.904312 
9.558337 
1 1 1 17  -9  5  o 86.36494 4.992182  1588.972       180.5815 1444.301       
251.4313 1743.103       259.5225 82.26589 7.279818 90.46400 6.833139 -8.198105 
9.984365 
1 1 1 17  -9  6  o 58.53415 5.663808  729.9260       138.6528 823.1520       
205.1559 651.5405       188.1192 61.97075 7.885302 55.09755 8.132461 6.873203 
11.32762 
1 1 1 17  -9  7  o 40.77765 7.293317  379.0018       128.5211 253.1727       
183.8794 499.1829       179.7052 34.31939 11.15793 47.23591 9.395244 -12.91652 
14.58663 
1 1 1 17  -9  8  o 68.34303 5.313233  1012.341       150.8099 863.8631       
216.5371 1152.204       210.1608 63.29528 8.148581 73.39079 6.820735 -10.09550 
10.62647 
1 1 1 17  -9  9  o 37.85006 6.076446  297.5487       126.1333 -100.1258      
184.8140 644.2905       172.5734 20.99846 9.551256 54.70165 7.514405 -33.70319 
12.15289 
1 1 1 17  -9  10 o 116.5557 5.340040  2938.031       260.9324 3063.634       
365.3150 2807.208       372.8279 119.2100 7.299212 113.9014 7.796512 5.308556 
10.68008 
1 1 1 17  -9  11 o 107.7311 5.343823  2509.594       241.4789 2378.362       
334.1104 2653.119       349.4085 104.7705 7.595776 110.6917 7.518642 -5.921234 
10.68765 
1 1 1 17  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -9  13 o 83.14120 5.379203  1543.842       180.7868 1355.673       
286.5579 1668.259       233.0113 78.33599 8.713089 87.94641 6.310736 -9.610420 
10.75841 
1 1 1 17  -9  14 f 56.58276 6.191853  708.4708       142.8012 850.0594       
217.3814 600.9864       189.4004 61.95846 8.356854 51.20706 9.138881 10.75140 
12.38371 
1 1 1 17  -9  15 o 59.18696 5.947144  772.8950       145.3987 838.1096       
230.3274 729.6893       187.4749 60.97754 8.996979 57.39638 7.780002 3.581161 
11.89429 
1 1 1 17  -9  16 o 53.24471 6.853921  666.3231       148.5736 781.3492       
210.5906 552.3305       209.6423 58.78611 8.532677 47.70331 10.72839 11.08281 
13.70784 
1 1 1 17  -9  17 o 40.23168 7.660178  404.9408       132.7115 365.6250       
197.4373 437.3447       179.2437 38.18374 11.43082 42.27963 10.20047 -4.095890 
15.32036 
1 1 1 17  -9  18 o 36.33701 8.368560  327.9062       143.6021 401.8983       
231.0590 281.3396       183.3019 39.03975 12.49091 33.63427 11.14039 5.405479 
16.73712 
1 1 1 17  -9  19 o 28.33517 7.666046  166.2733       133.9316 55.33918       
201.2411 254.4767       179.4433 24.75440 10.66572 31.91594 11.01433 -7.161537 
15.33209 
1 1 1 17  -9  20 o 27.09283 7.807204  104.0690       137.7785 267.9090       
230.5686 13.07259       171.8313 32.30769 12.28393 21.87797 9.639230 10.42972 
15.61441 
1 1 1 17  -9  21 o 38.24687 8.024332  399.6961       144.1765 551.2627       
210.7342 266.3209       197.6837 44.91597 11.20079 31.57777 11.49356 13.33820 
16.04866 
1 1 1 17  -9  22 o 29.29804 8.239435  202.4546       178.0701 -217.2910      
341.7675 358.8625       208.6254 23.63466 11.41486 34.96142 11.88503 -11.32675 
16.47887 
1 1 1 17  -9  23 o 30.94657 9.271801  268.4667       196.2858 364.8061       
355.0734 226.0701       235.5491 32.88955 14.16909 29.00360 11.96253 3.885946 
18.54360 
1 1 1 17  -9  24 o 24.22142 7.839674  71.92223       171.3319 -59.39847      
343.9168 115.2723       197.5976 24.24105 11.64460 24.20179 10.49978 
0.3926086E-01  15.67935 
1 1 1 17  -9  25 o 51.93907 10.91826  1035.262       226.6743 1668.801       
476.8980 850.3604       257.6376 54.36348 17.96924 49.51467 12.40727 4.848812 
21.83652 
1 1 1 17  -8  0  o 155.6816 5.281766  5116.387       316.5724 5045.056       
377.5663 5285.233       580.8979 154.3228 5.827527 157.0404 8.810683 -2.717606 
10.56353 
1 1 1 17  -8  1  o 89.88374 4.056728  1659.272       142.5679 1575.218       
170.7432 1852.807       259.0853 86.36747 4.708843 93.40002 6.607190 -7.032555 
8.113456 
1 1 1 17  -8  2  o 140.1876 4.758124  4094.228       264.9861 3932.079       
322.9828 4428.117       463.4721 136.2763 5.645210 144.0988 7.660977 -7.822510 
9.516248 
1 1 1 17  -8  3  o 93.99370 4.472317  1879.401       176.0397 1773.114       
252.9389 1979.250       245.1586 91.36591 6.594056 96.62149 6.043583 -5.255585 
8.944633 
1 1 1 17  -8  4  o 121.8519 4.246674  3089.247       211.8127 2900.398       
267.6132 3405.956       346.5609 117.0666 5.444971 126.6371 6.518379 -9.570496 
8.493348 
1 1 1 17  -8  5  o 107.8961 4.133333  2458.647       186.8799 2323.322       
254.9461 2615.801       274.7385 104.7068 5.799554 111.0855 5.890920 -6.378738 
8.266666 
1 1 1 17  -8  6  o 96.62329 4.728674  1981.880       191.5844 1915.610       
263.0672 2056.724       279.5674 94.92255 6.601131 98.32404 6.772482 -3.401489 
9.457349 
1 1 1 17  -8  7  o 89.86053 4.708475  1722.642       177.1815 1625.061       
254.5877 1814.301       246.7415 87.33319 6.943511 92.38787 6.361335 -5.054680 
9.416949 
1 1 1 17  -8  8  o 26.91664 7.500271  92.03912       124.2603 127.0014       
188.9682 65.40454       164.9346 28.76995 11.06858 25.06333 10.12437 3.706619 
15.00054 
1 1 1 17  -8  9  o 169.9060 5.903316  6244.632       404.8306 6126.072       
667.5547 6313.598       509.1371 168.0015 9.464437 171.8106 7.058396 -3.809067 
11.80663 
1 1 1 17  -8  10 o 32.14849 7.999236  205.6422       133.0095 217.9478       
205.9287 196.8336       174.2282 33.11143 11.76230 31.18555 10.84433 1.925873 
15.99847 
1 1 1 17  -8  11 o 97.06725 5.075645  2031.560       206.0155 2235.973       
291.3354 1827.106       291.3644 102.0838 6.797626 92.05064 7.539295 10.03321 
10.15129 
1 1 1 17  -8  12 o 27.39199 7.407447  84.74561       137.1284 -188.8378      
228.8049 238.0958       171.3021 21.79013 10.17338 32.99384 10.76957 -11.20371 
14.81489 
1 1 1 17  -8  13 o 21.60559 9.598515  -47.59717      175.2192 0.000000       
0.000000 -47.59717      175.2192 ?        ?        21.60559 9.598515 ? ? 
1 1 1 17  -8  14 o 43.51383 7.630804  450.2093       138.9649 385.0541       
210.7777 500.3059       184.8224 40.43413 11.73122 46.59353 9.761923 -6.159405 
15.26161 
1 1 1 17  -8  15 o 125.7424 5.726505  3489.848       299.8337 3437.965       
451.2936 3530.848       401.1751 124.4964 8.634230 126.9885 7.524728 -2.492111 
11.45301 
1 1 1 17  -8  16 o 54.33180 7.222607  681.1198       159.6279 905.8151       
236.8826 494.2102       216.0488 63.50546 8.884709 45.15815 11.38974 18.34731 
14.44521 
1 1 1 17  -8  17 o 64.81219 5.847262  943.9223       158.7320 863.4623       
221.8783 1028.271       227.1774 61.83774 8.546384 67.78664 7.982557 -5.948898 
11.69452 
1 1 1 17  -8  18 o 40.18810 8.185501  407.3128       145.6334 404.7103       
206.8171 409.8724       205.1070 40.05078 11.62064 40.32542 11.53129 
-0.2746353     16.37100 
1 1 1 17  -8  19 o 55.39172 6.282123  731.7239       138.8718 660.0518       
213.2489 784.5013       182.9935 51.86641 10.15527 58.91704 7.398027 -7.050632 
12.56425 
1 1 1 17  -8  20 o 40.24352 7.670517  411.9547       130.6517 462.6510       
206.2586 377.9820       168.8454 41.92418 11.41385 38.56287 10.25043 3.361317 
15.34103 
1 1 1 17  -8  21 o 26.73400 7.897184  111.5877       147.7933 55.84201       
196.6288 183.9803       224.0724 24.26495 10.49981 29.20304 11.79899 -4.938086 
15.79437 
1 1 1 17  -8  22 o 43.00866 9.646538  568.9332       188.8666 578.9659       
355.7820 564.9967       222.8603 41.03790 15.34472 44.97941 11.69454 -3.941513 
19.29308 
1 1 1 17  -8  23 o 49.84475 9.351516  729.4738       184.7559 877.2491       
352.6988 673.5887       216.8956 49.95451 15.34382 49.73499 10.69442 0.2195206 
18.70303 
1 1 1 17  -8  24 o 33.40218 9.298463  336.2707       201.8609 567.1447       
299.1114 143.1744       273.5473 39.60502 14.16514 27.19934 12.04966 12.40568 
18.59693 
1 1 1 17  -8  25 o 30.45510 9.243098  318.3787       232.2258 32.87106       
392.2166 472.4959       288.1659 26.08700 12.50803 34.82321 13.61208 -8.736212 
18.48620 
1 1 1 17  -8  26 o 29.26706 9.162746  374.1333       228.2637 291.3886       
402.4115 413.3878       277.1694 27.50315 13.01643 31.03097 12.89947 -3.527821 
18.32549 
1 1 1 17  -7  0  o 28.99769 6.784428  174.4977       95.12339 192.0074       
119.5455 144.2774       157.0524 29.74056 8.892925 28.25482 10.24840 1.485744 
13.56886 
1 1 1 17  -7  1  o 72.91106 4.195811  1124.717       122.9635 1120.129       
153.0966 1133.057       206.4038 72.80099 5.008980 73.02113 6.732714 
-0.2201462     8.391622 
1 1 1 17  -7  2  o 182.0462 6.106796  7131.519       452.5731 7244.939       
576.7075 6949.698       730.1823 184.3999 7.449307 179.6924 9.678825 4.707535 
12.21359 
1 1 1 17  -7  3  o 29.27908 7.038366  146.2579       115.4901 -5.510024      
167.1473 284.9044       159.7584 22.70634 9.750298 35.85183 10.15313 -13.14549 
14.07673 
1 1 1 17  -7  4  o 112.1780 5.193609  2681.828       244.2088 2643.900       
354.0392 2716.254       337.2956 111.3704 7.571860 112.9855 7.110643 -1.615158 
10.38722 
1 1 1 17  -7  5  o 77.19635 4.782400  1271.788       153.9641 1438.927       
217.7607 1104.717       217.7155 82.35226 6.298323 72.04044 7.198370 10.31182 
9.564800 
1 1 1 17  -7  6  o 165.4985 5.842939  5855.124       402.6100 5841.063       
535.9164 5873.341       610.0045 165.4657 7.714544 165.5314 8.777560 
-0.6570435E-01 11.68588 
1 1 1 17  -7  7  f 136.9321 4.217287  3933.099       240.6128 3651.015       
317.4570 4313.914       368.8533 131.2695 5.760261 142.5947 6.161285 -11.32523 
8.434574 
1 1 1 17  -7  8  o 148.0420 5.315398  4549.032       302.4326 4367.971       
358.1565 4998.924       564.5667 143.5042 5.944690 152.5798 8.813313 -9.075592 
10.63080 
1 1 1 17  -7  9  o 124.3312 4.241209  3291.620       219.4559 3203.747       
330.4549 3360.952       293.5309 122.7421 6.412682 125.9203 5.552379 -3.178223 
8.482417 
1 1 1 17  -7  10 o 89.70853 5.134440  1721.399       193.3227 1690.396       
274.8819 1751.741       271.9410 88.88511 7.366109 90.53194 7.154742 -1.646828 
10.26888 
1 1 1 17  -7  11 o 109.0499 5.422112  2558.665       247.6892 2493.154       
359.5683 2617.822       341.6862 107.6230 7.957880 110.4768 7.366774 -2.853813 
10.84422 
1 1 1 17  -7  12 o 34.84335 7.735425  267.0696       134.7058 118.6892       
206.0761 377.7716       177.9988 29.02371 11.46490 40.66299 10.38765 -11.63927 
15.47085 
1 1 1 17  -7  13 o 99.61944 4.934167  2129.471       204.5240 2181.922       
312.2104 2090.043       270.6932 100.5397 7.396581 98.69920 6.532580 1.840469 
9.868334 
1 1 1 17  -7  14 o 91.15173 5.263029  1814.960       198.5131 1907.085       
263.9689 1695.033       301.1761 94.11103 6.680875 88.19244 8.134112 5.918594 
10.52606 
1 1 1 17  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -7  16 o 64.12844 5.702244  904.0421       153.3023 972.8465       
220.4312 839.5893       213.3467 66.55260 7.889131 61.70428 8.235532 4.848328 
11.40449 
1 1 1 17  -7  17 o 68.61267 5.317667  1033.491       152.2121 1067.642       
229.8759 1006.828       203.1196 69.45943 7.882851 67.76590 7.139398 1.693535 
10.63533 
1 1 1 17  -7  18 o 68.38533 5.649028  1049.711       161.0908 1005.073       
238.5112 1087.153       218.4428 66.76088 8.509576 70.00979 7.431903 -3.248909 
11.29806 
1 1 1 17  -7  19 o 16.42591 5.665203  -283.0331      123.9003 -233.6498      
190.9903 -318.9175      162.8077 18.01814 8.660751 14.83368 7.305441 3.184466 
11.33041 
1 1 1 17  -7  20 o 41.16379 7.129414  390.4998       130.1251 679.2122       
204.2254 193.1823       168.8339 53.07330 9.509823 29.25428 10.62438 23.81902 
14.25883 
1 1 1 17  -7  21 o 28.23124 7.754703  169.4171       132.0833 128.2746       
206.9635 197.6892       171.5648 27.30288 11.22902 29.15960 10.69816 -1.856720 
15.50941 
1 1 1 17  -7  22 o 32.27342 8.595422  251.8171       156.0605 182.0383       
199.0056 363.2687       251.5050 28.59841 11.27612 35.94843 12.97591 -7.350019 
17.19084 
1 1 1 17  -7  23 o 39.46129 10.03008  492.7588       214.8704 380.1271       
295.2105 619.6532       313.3450 35.44349 13.79323 43.47909 14.56560 -8.035606 
20.06016 
1 1 1 17  -7  24 f 62.57614 9.237142  1156.536       234.3696 1392.081       
353.4641 971.7238       313.0930 68.99860 12.67568 56.15368 13.43973 12.84492 
18.47428 
1 1 1 17  -7  25 o 25.55802 8.564113  -73.29161      242.2622 191.4974       
376.4399 -260.4929      316.5193 29.37009 13.44725 21.74594 10.60885 7.624151 
17.12823 
1 1 1 17  -7  26 o 26.90273 8.700965  164.6989       226.4364 -18.22786      
387.4704 259.5734       279.0453 25.17600 12.15840 28.62946 12.44992 -3.453455 
17.40193 
1 1 1 17  -7  27 o 21.93661 7.580727  -88.84331      225.9616 -112.4160      
366.7560 -74.42063      286.8767 22.50111 11.08336 21.37211 10.34548 1.128998 
15.16145 
1 1 1 17  -6  0  o 119.8932 4.267929  2996.592       191.9016 2935.706       
224.4446 3162.079       370.0258 117.9259 4.533369 121.8605 7.232525 -3.934677 
8.535857 
1 1 1 17  -6  1  o 92.85479 4.430338  1858.481       157.7548 1903.539       
189.4165 1756.467       285.0106 94.93170 4.752560 90.77788 7.478286 4.153824 
8.860676 
1 1 1 17  -6  2  o 269.5478 9.207310  16100.25       1018.457 15229.06       
1590.827 16705.32       1325.766 261.9051 14.46772 277.1905 11.39225 -15.28537 
18.41462 
1 1 1 17  -6  3  o 149.3513 5.037243  4745.962       314.1568 4764.554       
469.4793 4730.887       422.7548 149.5109 7.479364 149.1916 6.749399 0.3192596 
10.07449 
1 1 1 17  -6  4  f 153.0101 4.599021  4933.854       290.4609 4774.639       
375.1022 5172.300       459.0411 150.0920 5.952690 155.9283 7.012094 -5.836334 
9.198043 
1 1 1 17  -6  5  o 23.24048 6.618762  -23.75602      116.9760 -244.8024      
172.7361 163.4785       158.9770 17.21119 8.264013 29.26977 10.34109 -12.05858 
13.23752 
1 1 1 17  -6  6  o 105.0604 4.383467  2340.971       191.7211 2341.068       
290.4770 2340.896       255.2039 104.9923 6.589845 105.1284 5.782135 
-0.1360703     8.766934 
1 1 1 17  -6  7  o 50.30276 6.300796  544.3798       128.8456 685.9688       
193.2987 431.1724       172.8429 56.66097 8.125798 43.94455 9.631797 12.71642 
12.60159 
1 1 1 17  -6  8  o 118.5352 5.297937  2994.773       263.6151 3065.485       
374.4138 2925.262       371.2227 119.9363 7.435710 117.1342 7.548693 2.802025 
10.59587 
1 1 1 17  -6  9  o 148.8553 5.533999  4612.239       309.8192 5006.813       
597.9896 4467.461       362.2264 152.5559 9.336534 145.1547 5.943882 7.401230 
11.06800 
1 1 1 17  -6  10 o 74.20038 5.415440  1146.820       166.5506 1389.019       
261.4005 981.3065       216.0912 80.61890 7.723083 67.78185 7.593546 12.83704 
10.83088 
1 1 1 17  -6  11 f 100.2236 4.835063  2141.342       203.3759 2157.084       
291.9363 2126.498       283.4837 100.5639 6.914603 99.88330 6.760149 0.6805573 
9.670127 
1 1 1 17  -6  12 o 50.78253 7.036436  583.3448       143.9878 513.6237       
224.2970 632.2175       187.7910 47.39084 11.39621 54.17422 8.256636 -6.783382 
14.07287 
1 1 1 17  -6  13 o 78.08987 4.945957  1301.901       161.7872 1200.538       
220.8442 1419.313       237.6861 74.81508 7.031015 81.36466 6.958075 -6.549583 
9.891914 
1 1 1 17  -6  14 o 52.20189 6.639886  611.5905       138.4589 899.2489       
203.9103 365.4945       188.6049 64.53495 7.526018 39.86883 10.94127 24.66612 
13.27977 
1 1 1 17  -6  15 o 120.1228 5.917219  3150.686       297.6495 3125.765       
435.5850 3172.516       407.6793 119.5020 8.681984 120.7437 8.042206 -1.241776 
11.83444 
1 1 1 17  -6  16 o 30.42400 7.707211  156.7507       130.1156 302.9966       
199.3822 48.26666       171.7226 36.42352 11.59804 24.42448 10.15332 11.99904 
15.41442 
1 1 1 17  -6  17 o 57.33845 6.011887  718.8631       143.8145 802.3495       
218.8664 655.4271       190.7825 60.18007 8.662586 54.49684 8.338509 5.683228 
12.02377 
1 1 1 17  -6  18 o 63.99344 5.752925  916.6625       151.1433 699.9899       
211.6888 1141.980       215.8704 55.80223 9.035815 72.18465 7.123106 -16.38241 
11.50585 
1 1 1 17  -6  19 o 27.48976 7.635999  95.05489       138.2173 240.3413       
198.3361 -42.12325      192.7222 32.62496 11.54805 22.35457 9.993814 10.27039 
15.27200 
1 1 1 17  -6  20 o 45.69077 7.939056  531.6782       151.1692 452.1460       
234.2856 588.4078       197.8695 41.90947 12.43282 49.47205 9.876208 -7.562580 
15.87811 
1 1 1 17  -6  21 o 63.39762 5.912744  904.7065       155.0923 1148.027       
239.3370 728.5707       203.6311 70.77683 8.054523 56.01842 8.658337 14.75842 
11.82549 
1 1 1 17  -6  22 o 45.43378 8.478460  583.6801       167.0887 665.5945       
207.9332 434.3783       280.7216 51.75189 9.924155 39.11568 13.74948 12.63621 
16.95692 
1 1 1 17  -6  23 o 72.93128 7.679371  1358.233       234.4011 1458.640       
348.7547 1275.506       316.5648 75.13512 11.05600 70.72744 10.66095 4.407684 
15.35874 
1 1 1 17  -6  24 o 36.24918 9.780710  385.8269       218.3252 190.5008       
303.2484 596.0238       314.5804 30.09913 13.03207 42.39922 14.58816 -12.30009 
19.56142 
1 1 1 17  -6  25 o 37.82764 10.05375  506.7379       226.0781 374.7494       
368.3840 586.4833       286.3424 33.86644 14.50646 41.78885 13.92386 -7.922413 
20.10749 
1 1 1 17  -6  26 o 34.22082 9.943136  299.2092       218.3420 835.2083       
402.1283 75.12845       260.0069 43.29220 16.28863 25.14944 11.40808 18.14276 
19.88627 
1 1 1 17  -6  27 o 37.30619 10.13514  625.2004       229.2183 567.3970       
366.7831 662.2428       293.6171 34.38124 14.59239 40.23114 14.06935 -5.849899 
20.27029 
1 1 1 17  -6  28 o 28.50961 8.978641  309.5371       211.7323 558.8671       
343.5470 156.8251       268.8659 32.39553 13.94652 24.62370 11.31187 7.771824 
17.95728 
1 1 1 17  -5  0  o 190.1447 5.938413  7649.400       435.4482 7524.855       
519.8167 7942.416       797.3239 188.2537 6.577000 192.0356 9.889493 -3.781967 
11.87683 
1 1 1 17  -5  1  o 108.8380 4.746728  2517.047       216.7671 2409.975       
305.7403 2625.268       307.3763 106.4857 6.838841 111.1903 6.584523 -4.704659 
9.493456 
1 1 1 17  -5  2  o 198.3354 5.653237  8390.223       470.1853 8222.014       
646.9648 8578.518       684.5071 196.2907 7.850584 200.3801 8.136627 -4.089386 
11.30647 
1 1 1 17  -5  3  o 41.85216 6.791106  393.5359       117.5669 469.3015       
165.2612 315.9016       167.2867 46.06506 8.861365 37.63926 10.29333 8.425793 
13.58221 
1 1 1 17  -5  4  o 32.07469 6.610403  180.6494       115.3455 412.8544       
164.6072 -43.36634      161.6786 43.02358 9.373514 21.12580 9.323461 21.89778 
13.22081 
1 1 1 17  -5  5  f 99.87000 4.821937  2122.535       201.7938 2084.331       
293.0056 2157.006       278.3196 98.97055 7.051655 100.7694 6.578638 -1.798889 
9.643874 
1 1 1 17  -5  6  o 50.80159 6.130687  560.9941       127.4605 498.3469       
177.6429 627.4687       182.9887 47.40828 9.255307 54.19490 8.042424 -6.786613 
12.26137 
1 1 1 17  -5  7  o 76.65719 5.129229  1248.013       164.8603 1170.115       
227.1114 1334.781       239.6924 74.12833 7.297528 79.18604 7.209857 -5.057709 
10.25846 
1 1 1 17  -5  8  o 135.3357 5.313098  3907.494       301.0738 3840.171       
439.9749 3966.781       412.8808 134.1563 7.811561 136.5151 7.203858 -2.358749 
10.62620 
1 1 1 17  -5  9  o 78.27102 5.025464  1275.491       163.0986 1490.543       
256.4579 1129.443       211.3452 83.66149 7.301492 72.88055 6.907196 10.78094 
10.05093 
1 1 1 17  -5  10 o 92.85656 5.052225  1836.957       196.0657 1822.885       
290.7847 1848.689       265.4954 92.46562 7.490525 93.24750 6.781737 
-0.7818756     10.10445 
1 1 1 17  -5  11 o 103.0947 4.604003  2258.487       199.2281 2191.247       
279.6138 2327.821       283.9382 101.5269 6.559917 104.6626 6.461801 -3.135605 
9.208007 
1 1 1 17  -5  12 o 131.6257 4.638996  3685.061       255.9028 3731.319       
374.1555 3644.403       350.7772 132.3528 6.733487 130.8986 6.382891 1.454224 
9.277992 
1 1 1 17  -5  13 o 75.49794 4.778581  1229.089       148.8608 1142.254       
227.9372 1293.668       196.5703 73.01602 7.435636 77.97985 6.004221 -4.963829 
9.557162 
1 1 1 17  -5  14 o 189.7250 7.044680  7801.114       543.4427 8195.738       
894.8287 7570.510       684.0392 192.5782 11.06761 186.8717 8.718837 5.706543 
14.08936 
1 1 1 17  -5  15 o 41.93874 6.834014  402.6548       140.5780 50.77029       
205.5618 711.8118       192.6779 26.55307 11.07789 57.32440 8.005960 -30.77133 
13.66803 
1 1 1 17  -5  16 o 23.10633 7.132002  -31.68131      134.4489 -147.7178      
207.9971 51.59937       176.2107 21.31223 9.853053 24.90044 10.31403 -3.588205 
14.26400 
1 1 1 17  -5  17 o 31.79103 7.870283  187.7699       132.2944 321.4904       
205.8741 93.71323       172.6623 37.37747 11.77209 26.20460 10.44908 11.17287 
15.74057 
1 1 1 17  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -5  19 o 44.53260 7.420413  463.6670       136.8705 586.8476       
205.9509 366.2267       183.1732 49.93192 10.17718 39.13328 10.80163 10.79865 
14.84083 
1 1 1 17  -5  20 o 81.75525 5.439535  1477.096       184.2787 1566.394       
287.5789 1414.883       240.0359 83.50965 8.202409 80.00085 7.146652 3.508797 
10.87907 
1 1 1 17  -5  21 o 28.34388 7.299353  93.69516       128.0801 346.2890       
198.6987 -85.86655      167.5292 37.18540 11.53606 19.50235 8.946597 17.68304 
14.59871 
1 1 1 17  -5  22 o 36.84510 7.256483  365.5846       136.4915 76.20978       
226.8817 529.7183       170.8709 26.67124 11.40311 47.01896 8.977489 -20.34771 
14.51297 
1 1 1 17  -5  23 o 47.30622 8.837246  592.2388       172.1762 533.9224       
213.4985 700.7144       291.1824 45.05665 11.29718 49.55579 13.59269 -4.499142 
17.67449 
1 1 1 17  -5  24 o 36.77108 9.351309  400.7000       198.9796 192.7471       
328.8362 520.8257       249.9280 31.21004 13.54270 42.33212 12.89896 -11.12208 
18.70262 
1 1 1 17  -5  25 o 28.91050 9.024985  132.2593       195.1283 250.3346       
367.1093 85.76504       230.3644 32.09336 14.11562 25.72764 11.24948 6.365719 
18.04997 
1 1 1 17  -5  26 o 90.96486 8.551223  2240.594       281.4818 2641.532       
560.9804 2105.683       325.4116 89.70885 14.89476 92.22087 8.404751 -2.512016 
17.10245 
1 1 1 17  -5  27 o 27.89945 8.804988  185.4743       201.3272 76.51817       
412.9369 219.4498       230.5902 27.59157 13.11832 28.20734 11.74823 
-0.6157722     17.60998 
1 1 1 17  -5  28 o 50.35102 10.37434  984.6916       224.8623 1212.782       
382.3830 864.1219       278.0125 51.77449 15.99145 48.92755 13.22048 2.846947 
20.74868 
1 1 1 17  -5  29 o 22.03463 7.475191  -1.403512      192.9349 -3.085995      
336.4802 -0.5793990     235.4928 22.95805 11.13585 21.11121 9.975307 1.846840 
14.95038 
1 1 1 17  -4  0  o 127.2943 3.961842  3401.424       204.1601 3329.718       
255.5091 3528.049       339.5380 125.5775 4.846357 129.0110 6.268778 -3.433418 
7.923683 
1 1 1 17  -4  1  f 223.7554 6.804080  10711.24       630.4582 10503.97       
822.9942 11005.64       980.8365 221.5363 8.848568 225.9745 10.33852 -4.438263 
13.60816 
1 1 1 17  -4  2  o 26.92513 7.008765  107.6239       110.7975 4.837132       
158.8913 204.9087       154.5803 22.52007 9.582768 31.33018 10.23043 -8.810116 
14.01753 
1 1 1 17  -4  3  o 97.08101 4.745870  2002.341       192.9613 2017.125       
264.4146 1985.499       282.2329 97.50550 6.459181 96.65652 6.955007 0.8489838 
9.491740 
1 1 1 17  -4  4  o 30.75111 6.857910  205.5726       102.5363 107.4261       
168.6937 263.0787       129.1275 27.10162 10.45146 34.40060 8.882040 -7.298981 
13.71582 
1 1 1 17  -4  5  o 51.46697 5.904344  572.3196       124.2830 647.7133       
181.1306 505.2450       170.8453 55.09672 7.830458 47.83723 8.839063 7.259491 
11.80869 
1 1 1 17  -4  6  o 130.0205 5.127947  3591.050       278.7982 3693.210       
415.6074 3507.463       375.9318 131.6283 7.520642 128.4127 6.973042 3.215652 
10.25589 
1 1 1 17  -4  7  o 84.39455 4.449672  1498.797       156.9458 1705.244       
233.7192 1329.250       211.8051 89.65525 6.209258 79.13384 6.375222 10.52141 
8.899344 
1 1 1 17  -4  8  o 158.0409 5.092537  5327.406       335.3102 5231.312       
503.7615 5403.844       449.2987 156.6136 7.661546 159.4682 6.710920 -2.854568 
10.18507 
1 1 1 17  -4  9  o 78.39764 4.920977  1308.241       161.8049 1251.185       
230.0686 1364.081       227.6048 76.67713 7.146814 80.11816 6.766616 -3.441032 
9.841953 
1 1 1 17  -4  10 o 169.0016 5.899560  6130.601       416.9195 6477.637       
576.1423 5749.099       604.0755 174.2103 7.877293 163.7929 8.784503 10.41740 
11.79912 
1 1 1 17  -4  11 o 57.23201 6.240207  701.5690       145.1643 856.0635       
218.8159 580.1259       194.0032 63.27060 8.237548 51.19342 9.375688 12.07718 
12.48041 
1 1 1 17  -4  12 f 33.73108 7.701695  217.9837       119.4568 331.1091       
208.6107 162.7915       145.7121 38.74292 11.78051 28.71925 9.923910 10.02367 
15.40339 
1 1 1 17  -4  13 o 127.4974 5.074121  3352.273       262.0626 3905.825       
444.6367 3057.632       324.3944 135.0936 7.839559 119.9011 6.444231 15.19248 
10.14824 
1 1 1 17  -4  14 o 81.35631 4.855391  1412.234       165.7693 1461.272       
238.5827 1366.466       230.4928 82.71983 6.869901 79.99278 6.863217 2.727043 
9.710782 
1 1 1 17  -4  15 o 92.88704 4.525071  1815.033       175.1288 1593.740       
231.6898 2109.994       267.4889 86.38437 6.388412 99.38972 6.410402 -13.00535 
9.050141 
1 1 1 17  -4  16 o 126.1028 5.990947  3450.560       314.4191 3506.603       
478.4365 3407.956       417.1489 126.7280 8.992345 125.4776 7.918556 1.250351 
11.98189 
1 1 1 17  -4  17 o 39.17036 7.712884  302.2934       151.9543 627.4694       
229.4023 48.07714       202.8338 52.13105 10.84109 26.20967 10.97384 25.92138 
15.42577 
1 1 1 17  -4  18 o 58.68279 7.441060  784.9960       178.8094 702.6457       
250.0952 871.1116       255.7489 54.83208 11.25088 62.53351 9.741416 -7.701431 
14.88212 
1 1 1 17  -4  19 o 37.59195 10.68347  331.8287       176.5819 0.000000       
0.000000 331.8287       176.5819 ?        ?        37.59195 10.68347 ? ? 
1 1 1 17  -4  20 o 27.09036 7.460079  104.9783       132.4417 -61.65115      
210.0790 214.8900       170.6196 23.00813 10.35491 31.17258 10.74183 -8.164448 
14.92016 
1 1 1 17  -4  21 o 38.51477 7.591041  330.2073       132.9983 552.9136       
210.4346 182.0789       171.6209 47.69175 10.76452 29.33780 10.70611 18.35394 
15.18208 
1 1 1 17  -4  22 o 45.35449 7.655401  517.6568       143.7628 454.7823       
216.4444 567.2922       192.3112 42.20086 11.77516 48.50813 9.786026 -6.307270 
15.31080 
1 1 1 17  -4  23 o 43.98130 8.358821  509.9863       158.2771 549.6254       
217.1783 465.0831       231.1496 46.20893 11.27812 41.75367 12.34032 4.455257 
16.71764 
1 1 1 17  -4  24 o 23.72276 7.851837  -111.8190      188.0998 -165.6465      
326.6640 -85.11828      230.0700 24.99716 11.79067 22.44837 10.37234 2.548796 
15.70367 
1 1 1 17  -4  25 f 31.47135 9.445718  209.8956       197.5583 308.6385       
381.8639 173.8076       230.8538 34.22154 14.71769 28.72116 11.84381 5.500380 
18.89144 
1 1 1 17  -4  26 o 28.87606 9.027114  144.5493       196.7149 214.9906       
378.5671 118.4937       230.2397 31.26854 13.99208 26.48359 11.40951 4.784952 
18.05423 
1 1 1 17  -4  27 o 27.24189 8.571132  76.72597       187.3429 339.7718       
324.2681 -55.06410      229.5249 32.59319 13.77128 21.89058 10.20828 10.70261 
17.14226 
1 1 1 17  -4  28 o 29.09986 8.821457  257.4378       199.7813 86.36650       
371.3536 327.1166       237.0007 26.79614 12.61931 31.40359 12.32986 -4.607452 
17.64291 
1 1 1 17  -4  29 o 37.74207 9.587255  238.0959       227.8756 1548.337       
427.7292 -281.1735      269.2711 56.75975 16.79024 18.72438 9.260110 38.03536 
19.17451 
1 1 1 17  -3  0  o 135.9404 4.924400  3919.969       275.0555 3936.406       
436.5345 3909.146       354.2141 136.0220 7.644171 135.8587 6.210114 0.1633301 
9.848800 
1 1 1 17  -3  1  o 89.13860 4.037212  1685.985       148.8535 1713.850       
195.4195 1647.473       229.7425 90.07917 5.167310 88.19804 6.204453 1.881134 
8.074424 
1 1 1 17  -3  2  o 117.4172 5.093471  2871.607       242.5594 2717.993       
302.3935 3148.786       406.1970 113.2552 6.359680 121.5791 7.957905 -8.323906 
10.18694 
1 1 1 17  -3  3  f 250.9980 7.949524  13672.95       824.2687 13316.53       
1274.686 13929.09       1080.595 247.4773 12.26843 254.5188 10.11263 -7.041458 
15.89905 
1 1 1 17  -3  4  o 32.84923 7.287613  229.9538       112.2409 258.5132       
159.8175 202.1571       157.6695 34.42057 10.28027 31.27789 10.33215 3.142681 
14.57523 
1 1 1 17  -3  5  o 155.2364 6.103452  5155.600       397.5981 5295.021       
559.6710 5013.540       564.9434 157.4095 8.468821 153.0633 8.791335 4.346176 
12.20690 
1 1 1 17  -3  6  o 150.7574 5.394745  4863.011       334.0602 4743.480       
526.4930 4943.563       432.2042 148.9556 8.418928 152.5593 6.747944 -3.603638 
10.78949 
1 1 1 17  -3  7  o 238.3455 7.959185  12245.30       764.8475 12640.60       
1280.117 12025.84       953.8157 240.2529 12.69118 236.4381 9.608775 3.814850 
15.91837 
1 1 1 17  -3  8  o 35.64198 7.326478  279.0750       118.6922 204.6293       
169.3324 350.9802       166.4179 31.69487 10.70747 39.58908 10.00296 -7.894217 
14.65296 
1 1 1 17  -3  9  o 148.8901 5.699367  4725.100       354.9780 4607.328       
479.5529 4867.850       527.9603 146.9339 7.773838 150.8462 8.336579 -3.912277 
11.39873 
1 1 1 17  -3  10 o 120.4556 4.857416  3097.340       244.4229 2923.394       
357.4807 3250.052       334.9506 117.1762 7.266651 123.7349 6.447771 -6.558723 
9.714832 
1 1 1 17  -3  11 o 27.52622 6.866258  69.31673       116.6948 -116.0464      
158.5542 288.3992       172.3732 18.86928 8.676056 36.18316 10.64462 -17.31388 
13.73252 
1 1 1 17  -3  12 o 123.1785 4.914574  3262.227       243.1978 3101.711       
402.3004 3354.667       305.2980 120.5161 7.951087 125.8408 5.778613 -5.324699 
9.829148 
1 1 1 17  -3  13 f 109.6069 4.863223  2556.434       223.5512 2404.746       
314.0487 2712.249       318.2923 106.2757 7.038565 112.9381 6.712848 -6.662399 
9.726445 
1 1 1 17  -3  14 o 22.00597 6.867668  -70.60190      128.5406 -176.2054      
183.4862 31.17138       180.1280 19.28254 9.033338 24.72939 10.34690 -5.446850 
13.73534 
1 1 1 17  -3  15 o 41.99774 7.024523  317.5300       143.7287 746.9759       
229.8261 41.69416       184.1919 58.72477 9.321786 25.27071 10.51095 33.45406 
14.04905 
1 1 1 17  -3  16 o 67.31294 6.358002  978.7767       179.1862 897.0330       
243.5804 1075.185       264.5288 64.25710 9.029054 70.36879 8.953936 -6.111687 
12.71600 
1 1 1 17  -3  17 o 39.69538 8.638850  356.2089       160.7725 270.5594       
226.3438 443.4242       228.4034 35.72854 12.36638 43.66221 12.06613 -7.933670 
17.27770 
1 1 1 17  -3  18 o 146.0822 6.979634  4739.112       426.0663 4858.983       
580.5778 4599.207       627.2189 148.5122 9.311497 143.6523 10.39987 4.859894 
13.95927 
1 1 1 17  -3  19 f 50.75677 7.642920  601.8135       158.0032 553.5750       
225.3685 648.4440       221.5803 48.50754 11.27133 53.00599 10.32540 -4.498455 
15.28584 
1 1 1 17  -3  20 o 67.70555 5.721824  1002.986       159.9653 1053.472       
252.2359 969.0198       206.8933 68.85596 8.725421 66.55515 7.404330 2.300812 
11.44365 
1 1 1 17  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  -3  22 f 45.21857 7.785196  512.0985       147.0277 424.1881       
222.7931 579.9213       195.6905 41.06754 12.10812 49.36961 9.789304 -8.302078 
15.57039 
1 1 1 17  -3  23 o 39.17339 7.700021  365.7769       141.0783 588.8902       
211.1647 185.9026       189.6022 48.79619 10.60419 29.55058 11.16747 19.24561 
15.40004 
1 1 1 17  -3  24 o 24.80353 8.217312  -154.6316      205.3567 -24.99065      
340.1083 -229.0122      257.6177 28.15696 12.84730 21.45010 10.24908 6.706860 
16.43462 
1 1 1 17  -3  25 o 26.65326 8.607613  -4.516793      192.9377 80.12908       
364.8879 -37.36702      227.3138 30.05076 13.57891 23.25577 10.58193 6.794987 
17.21523 
1 1 1 17  -3  26 o 37.76035 10.59067  384.0722       216.8976 714.5546       
454.1977 286.4439       246.8645 43.00135 17.00987 32.51935 12.62195 10.48200 
21.18134 
1 1 1 17  -3  27 o 29.48776 8.742619  161.8372       205.0832 -153.1350      
315.2131 393.0311       270.0576 23.65658 11.31141 35.31895 13.33362 -11.66237 
17.48524 
1 1 1 17  -3  28 o 31.56501 9.546329  305.3952       227.3008 209.9519       
319.4956 403.2126       323.4447 29.24818 12.98160 33.88183 14.00028 -4.633650 
19.09266 
1 1 1 17  -3  29 o 27.12562 8.650880  107.4700       215.9469 -149.3614      
287.5706 439.5712       327.0060 21.45297 10.37999 32.79827 13.84221 -11.34531 
17.30176 
1 1 1 17  -3  30 o 27.08032 7.820764  255.1053       157.7292 15.02710       
305.1243 342.6543       184.2578 22.91057 10.99642 31.25007 11.12367 -8.339506 
15.64153 
1 1 1 17  -2  0  o 71.91846 4.550029  1104.471       136.2066 991.9808       
198.9314 1203.747       186.8830 68.39204 6.928174 75.44487 5.900124 -7.052826 
9.100058 
1 1 1 17  -2  1  o 67.05402 4.489441  950.5219       126.2495 1014.404       
182.1670 891.4813       175.1283 69.22589 6.267904 64.88215 6.429129 4.343742 
8.978882 
1 1 1 17  -2  2  o 69.87412 4.895920  1034.749       143.4552 1106.583       
205.6474 966.6610       200.2141 72.24936 6.779698 67.49889 7.065114 4.750473 
9.791841 
1 1 1 17  -2  3  o 105.0757 3.976358  2338.226       174.9561 2258.399       
254.1111 2410.171       241.2408 103.3367 5.857201 106.8147 5.379487 -3.478004 
7.952715 
1 1 1 17  -2  4  o 146.6824 5.822731  4579.262       358.2982 4735.020       
519.4250 4437.873       494.8857 149.0410 8.301147 144.3238 8.167480 4.717209 
11.64546 
1 1 1 17  -2  5  o 97.00449 4.517493  2004.163       181.8175 1922.339       
275.9907 2066.902       241.6711 95.16931 6.907463 98.83966 5.823909 -3.670349 
9.034986 
1 1 1 17  -2  6  o 175.8557 7.136928  6647.576       525.8042 6587.504       
719.2159 6716.546       770.6439 175.1314 9.781746 176.5800 10.39521 -1.448639 
14.27386 
1 1 1 17  -2  7  o 144.7755 6.141998  4481.701       373.2383 4577.234       
534.7513 4390.952       521.1873 146.2725 8.707834 143.2785 8.664305 2.994003 
12.28400 
1 1 1 17  -2  8  f 136.7822 5.508803  3974.208       315.6865 3733.608       
430.0124 4255.461       464.9252 132.3239 7.740408 141.2405 7.840520 -8.916656 
11.01761 
1 1 1 17  -2  9  o 61.48547 5.579486  804.7139       143.1985 828.1823       
215.6153 786.1934       191.5419 62.23723 8.251831 60.73372 7.511988 1.503510 
11.15897 
1 1 1 17  -2  10 o 116.7061 4.678848  2908.698       227.8201 2721.150       
334.4377 3071.078       311.1895 113.0850 7.044193 120.3272 6.160018 -7.242218 
9.357696 
1 1 1 17  -2  11 o 51.24361 6.619473  579.9153       136.9350 600.3730       
200.0652 561.8844       187.8247 52.07695 9.503066 50.41027 9.217452 1.666676 
13.23895 
1 1 1 17  -2  12 o 116.4838 4.479477  2872.393       217.6831 2937.198       
328.2997 2821.546       290.8007 117.5901 6.649990 115.3775 6.003374 2.212570 
8.958955 
1 1 1 17  -2  13 o 80.61507 4.920758  1378.917       165.9936 1543.609       
240.7785 1229.744       229.1534 85.22557 6.729285 76.00456 7.181376 9.221008 
9.841516 
1 1 1 17  -2  14 o 36.89357 7.898414  299.2157       132.6454 294.1312       
192.8960 303.7768       182.6970 36.70305 11.36232 37.08410 10.97440 
-0.3810425     15.79683 
1 1 1 17  -2  15 o 82.30783 5.294694  1447.003       182.9377 1478.325       
260.9234 1416.722       256.5577 83.18686 7.471011 81.42881 7.504609 1.758049 
10.58939 
1 1 1 17  -2  16 o 67.35881 6.179648  981.0667       174.4375 928.9034       
249.1667 1031.208       244.2895 65.53120 9.056554 69.18642 8.410174 -3.655228 
12.35930 
1 1 1 17  -2  17 o 62.34373 6.593381  847.5820       172.3954 881.9463       
242.2904 812.3455       245.3461 63.68809 9.061476 60.99938 9.580206 2.688713 
13.18676 
1 1 1 17  -2  18 o 94.33067 5.608174  1934.061       221.0529 1849.896       
324.1565 2007.223       302.2263 92.23891 8.370697 96.42244 7.465781 -4.183533 
11.21635 
1 1 1 17  -2  19 o 105.2360 5.170067  2344.683       211.9916 2541.426       
384.4268 2258.710       254.1230 107.7797 8.495673 102.6924 5.894226 5.087326 
10.34013 
1 1 1 17  -2  20 o 46.14899 7.607758  512.0007       145.7199 388.6595       
219.2204 609.6422       195.0490 40.58285 12.02382 51.71512 9.324142 -11.13227 
15.21552 
1 1 1 17  -2  21 o 49.39448 7.136555  573.6377       142.7130 521.5529       
208.7214 619.3671       195.5730 46.89138 10.81527 51.89758 9.314049 -5.006207 
14.27311 
1 1 1 17  -2  22 o 24.54069 10.54947  25.32781       196.0418 0.000000       
0.000000 25.32781       196.0418 ?        ?        24.54069 10.54947 ? ? 
1 1 1 17  -2  23 o 38.70198 8.150117  374.2168       142.3223 357.8308       
208.1137 388.6127       195.0675 37.86815 11.81796 39.53581 11.22647 -1.667660 
16.30023 
1 1 1 17  -2  24 o 39.56364 8.121284  424.1260       145.0273 483.8897       
172.9522 282.5639       266.1833 44.66970 9.506174 34.45758 13.17018 10.21213 
16.24257 
1 1 1 17  -2  25 o 39.11432 10.67620  407.7152       243.4057 614.6407       
397.5013 283.5814       307.8767 43.96193 16.26276 34.26670 13.83645 9.695229 
21.35240 
1 1 1 17  -2  26 o 42.40676 10.33527  415.7550       229.6592 1044.239       
412.8261 134.0779       276.3732 55.91378 16.48093 28.89974 12.47599 27.01404 
20.67054 
1 1 1 17  -2  27 o 38.10415 9.556641  439.3889       219.9065 124.7544       
327.6830 697.2010       296.6213 29.10220 13.02037 47.10611 13.99241 -18.00390 
19.11328 
1 1 1 17  -2  28 o 44.83235 9.993937  726.3208       239.9362 399.2886       
371.7168 959.8953       314.1447 34.36823 14.64172 55.29647 13.60644 -20.92824 
19.98787 
1 1 1 17  -2  29 o 23.44686 10.98840  -412.0558      229.0031 -1339.260      
422.6768 -26.79657      272.4566 ?        ?        23.44686 10.98840 ? ? 
1 1 1 17  -2  30 o 24.65137 7.959364  116.0744       161.1382 148.6163       
356.2068 107.7015       180.6828 26.29390 12.37591 23.00884 10.01213 3.285055 
15.91873 
1 1 1 17  -2  31 o 22.08864 7.288240  61.88974       151.9780 24.46192       
316.1348 73.13959       173.3199 23.01670 11.08268 21.16057 9.468261 1.856131 
14.57648 
1 1 1 17  -1  0  o 92.21132 4.434684  1799.826       171.5292 1774.517       
246.8219 1823.467       238.5476 91.56680 6.420470 92.85584 6.119090 -1.289047 
8.869368 
1 1 1 17  -1  1  o 129.8324 5.128197  3583.852       278.8320 3795.336       
389.5074 3361.565       399.3322 133.8281 6.932492 125.8367 7.558714 7.991371 
10.25639 
1 1 1 17  -1  2  o 168.8618 5.671781  5991.253       377.4942 5860.006       
458.3129 6268.132       665.6771 166.3715 6.561514 171.3522 9.253265 -4.980637 
11.34356 
1 1 1 17  -1  3  o 34.11479 6.529074  233.2398       99.72198 126.3702       
128.9829 392.0480       157.2321 26.16842 9.307621 42.06116 9.158790 -15.89274 
13.05815 
1 1 1 17  -1  4  o 49.40627 4.788112  518.6550       98.99641 560.9471       
139.1245 475.2787       140.8964 51.47425 6.437759 47.33830 7.089382 4.135952 
9.576224 
1 1 1 17  -1  5  o 19.71367 6.179562  -95.31758      109.1584 -239.5927      
157.9659 36.54006       151.0151 16.20532 7.810590 23.22202 9.578236 -7.016697 
12.35912 
1 1 1 17  -1  6  o 73.68825 4.494216  1147.607       138.8819 1206.971       
202.2234 1094.611       191.0683 75.48538 6.381013 71.89111 6.330449 3.594269 
8.988432 
1 1 1 17  -1  7  o 42.68690 6.754388  408.6409       118.5968 327.5397       
169.3049 486.7770       166.1811 38.36264 10.29499 47.01115 8.746443 -8.648502 
13.50878 
1 1 1 17  -1  8  o 196.4835 6.759788  8243.720       550.8495 8560.464       
854.2704 8018.287       720.6909 199.3950 10.20474 193.5720 8.868038 5.823013 
13.51958 
1 1 1 17  -1  9  o 112.4705 4.919319  2703.828       229.7770 2574.627       
346.6250 2805.110       306.8973 109.9449 7.509413 114.9961 6.356690 -5.051239 
9.838637 
1 1 1 17  -1  10 o 51.45268 5.896585  535.3130       120.9808 666.0698       
215.0291 474.7519       146.3396 55.69586 9.195922 47.20950 7.383354 8.486359 
11.79317 
1 1 1 17  -1  11 o 79.77275 5.523543  1344.972       184.0677 1507.219       
277.2788 1217.141       246.1199 84.02356 7.860257 75.52194 7.762376 8.501617 
11.04709 
1 1 1 17  -1  12 o 21.87078 6.656687  -27.13687      109.6533 53.98984       
174.8754 -79.70058      140.7634 25.29784 10.34925 18.44373 8.374903 6.854111 
13.31337 
1 1 1 17  -1  13 o 55.27061 5.910690  651.3877       136.9503 612.6506       
187.8569 695.3270       200.0740 53.52190 8.360199 57.01931 8.357757 -3.497410 
11.82138 
1 1 1 17  -1  14 o 95.29050 5.425101  1892.426       210.2300 1768.629       
262.6216 2113.286       350.7778 91.20357 6.858666 99.37742 8.407473 -8.173851 
10.85020 
1 1 1 17  -1  15 o 42.32474 8.172261  404.6166       157.9254 565.6919       
217.3728 224.5538       229.8279 50.19227 10.63950 34.45721 12.40743 15.73506 
16.34452 
1 1 1 17  -1  16 o 168.0273 6.645468  6102.052       455.5780 6066.607       
734.3594 6124.229       580.8680 167.0686 10.46972 168.9860 8.187432 -1.917419 
13.29094 
1 1 1 17  -1  17 o 35.00080 8.549230  245.4799       153.9546 319.4416       
225.3445 180.7397       210.8290 38.19491 12.34706 31.80669 11.82824 6.388218 
17.09846 
1 1 1 17  -1  18 o 38.62157 7.803565  341.1159       148.1873 108.3048       
226.1148 516.3879       196.1930 29.56520 11.89087 47.67794 10.10889 -18.11274 
15.60713 
1 1 1 17  -1  19 o 87.68043 5.269797  1650.891       189.3547 1708.428       
304.6485 1614.669       241.7171 88.66038 8.184470 86.70048 6.640594 1.959900 
10.53959 
1 1 1 17  -1  20 o 82.84603 5.258339  1448.809       180.1501 1847.540       
280.4025 1168.540       235.0874 92.36486 7.230963 73.32720 7.636341 19.03766 
10.51668 
1 1 1 17  -1  21 o 89.16228 5.427461  1740.530       202.6058 1887.177       
286.8725 1594.585       286.1846 93.06602 7.342075 85.25853 7.995202 7.807487 
10.85492 
1 1 1 17  -1  22 o 37.05683 7.949858  305.7794       141.3886 475.7722       
211.2688 167.8833       190.2813 44.46137 11.29249 29.65229 11.19288 14.80908 
15.89972 
1 1 1 17  -1  23 o 46.10414 7.891689  516.0640       152.1453 626.2858       
222.2440 418.8447       208.7239 50.98876 10.72099 41.21952 11.58341 9.769234 
15.78338 
1 1 1 17  -1  24 f 55.19320 8.591265  696.7480       199.0772 696.7480       
199.0772 0.000000       0.000000 55.19320 8.591265 ?        ?        ? ? 
1 1 1 17  -1  25 o 47.90767 10.80961  684.5316       245.8926 621.7438       
402.1803 722.0132       310.7363 45.07165 16.39490 50.74368 14.09248 -5.672035 
21.61922 
1 1 1 17  -1  26 o 44.13510 10.39960  594.3969       226.2663 546.8408       
364.1622 624.3007       288.7722 41.88332 15.55142 46.38687 13.81160 -4.503548 
20.79921 
1 1 1 17  -1  27 o 54.82012 10.08121  867.0037       228.2913 1134.097       
380.0213 716.1888       285.5606 60.39455 15.02949 49.24569 13.44015 11.14886 
20.16242 
1 1 1 17  -1  28 o 64.87853 9.393051  1225.039       246.3739 1503.858       
376.1112 1015.474       326.0723 72.00393 12.90961 57.75313 13.64769 14.25080 
18.78610 
1 1 1 17  -1  29 o 54.57049 9.073005  615.6358       235.7408 2118.094       
472.5711 117.8873       272.0013 82.33260 13.67151 26.80838 11.93179 55.52422 
18.14601 
1 1 1 17  -1  30 o 21.59219 7.234016  -52.19005      145.5937 54.51538       
302.1781 -84.45022      166.1510 25.18464 11.73225 17.99973 8.466299 7.184916 
14.46803 
1 1 1 17  -1  31 o 23.68446 7.890647  55.30230       152.7489 302.3701       
372.3782 5.319812       167.4886 27.89220 13.00531 19.47671 8.939305 8.415495 
15.78129 
1 1 1 17  0   0  o 61.41809 4.580361  798.3543       118.0086 790.6418       
169.9209 805.5400       164.0144 61.12067 6.621857 61.71552 6.330074 
-0.5948486     9.160722 
1 1 1 17  0   1  o 32.84400 7.013402  230.2760       108.1812 152.0794       
155.9880 302.7396       150.1610 28.71457 10.23346 36.97343 9.593100 -8.258860 
14.02680 
1 1 1 17  0   2  o 35.21149 7.049890  270.7779       109.4213 311.1459       
157.4028 233.0257       152.2176 37.48502 9.866483 32.93797 10.07255 4.547047 
14.09978 
1 1 1 17  0   3  o 44.49722 6.495119  437.2985       117.3682 412.1971       
165.2158 462.8720       166.7624 43.13746 9.384372 45.85697 8.982197 -2.719505 
12.99024 
1 1 1 17  0   4  o 20.04664 6.327139  -61.97916      108.7125 -52.87386      
154.5364 -70.89976      152.9610 20.37945 9.038965 19.71383 8.855950 0.6656284 
12.65428 
1 1 1 17  0   5  o 66.13101 4.673417  919.4652       129.2994 1019.829       
192.2339 836.5457       174.7306 69.40465 6.597243 62.85738 6.621154 6.547268 
9.346833 
1 1 1 17  0   6  o 30.71433 6.802540  153.4197       115.0625 359.0453       
166.1801 -35.94299      159.4731 40.16663 9.904019 21.26203 9.327840 18.90460 
13.60508 
1 1 1 17  0   7  o 133.3640 5.492857  3792.230       306.6782 3974.542       
425.2229 3594.602       442.7233 136.7918 7.404194 129.9362 8.115652 6.855606 
10.98571 
1 1 1 17  0   8  o 102.3715 4.471553  2222.031       191.9657 2270.798       
267.0955 2169.925       276.0887 103.5605 6.143181 101.1825 6.499267 2.378036 
8.943106 
1 1 1 17  0   9  o 181.8815 5.950750  6949.137       445.0659 7622.629       
717.6207 6528.152       567.3630 188.6811 9.059153 175.0818 7.718645 13.59932 
11.90150 
1 1 1 17  0   10 o 55.04440 5.853361  676.5726       127.4158 795.2565       
171.4883 530.3081       190.3742 61.19981 6.674295 48.88900 9.617749 12.31081 
11.70672 
1 1 1 17  0   11 o 29.76196 7.848029  149.4356       132.9115 88.13565       
205.5710 193.4663       174.2247 28.22785 11.34411 31.29606 10.84792 -3.068218 
15.69606 
1 1 1 17  0   12 o 85.71133 4.443122  1558.146       159.4887 1569.667       
234.2924 1548.198       217.7203 85.97551 6.490894 85.44717 6.069073 0.5283432 
8.886245 
1 1 1 17  0   13 o 110.4954 5.211851  2519.027       229.6100 2354.291       
279.5884 2860.298       402.4157 105.3331 6.322307 115.6577 8.287461 -10.32461 
10.42370 
1 1 1 17  0   14 o 82.13921 5.335586  1442.509       181.5255 1751.569       
261.4005 1154.653       252.2742 90.77213 6.859223 73.50629 8.174653 17.26583 
10.67117 
1 1 1 17  0   15 o 131.8972 5.935256  3711.148       326.8447 3831.295       
491.8422 3616.131       437.3907 133.6899 8.762905 130.1044 8.007531 3.585526 
11.87051 
1 1 1 17  0   16 o 105.1451 4.714727  2358.660       207.3788 2229.349       
300.7220 2475.916       286.3607 102.3189 7.000525 107.9714 6.317217 -5.652504 
9.429454 
1 1 1 17  0   17 o 23.38282 7.315924  -51.57790      141.1983 -102.5362      
218.9055 -15.27133      184.7743 23.28750 10.52046 23.47815 10.16912 
-0.1906471     14.63185 
1 1 1 17  0   18 o 102.0760 5.176798  2226.232       216.7075 2268.374       
346.8497 2199.248       277.5474 102.6445 8.048717 101.5074 6.512689 1.137093 
10.35360 
1 1 1 17  0   19 o 37.80904 8.468535  296.9569       157.1967 465.3795       
235.5543 161.7220       211.0742 44.76691 12.20187 30.85116 11.74644 13.91575 
16.93707 
1 1 1 17  0   20 o 94.82365 5.499740  1933.653       216.9280 1835.037       
285.1671 2069.097       334.1992 92.13323 7.372321 97.51408 8.163177 -5.380852 
10.99948 
1 1 1 17  0   21 o 74.25874 5.284481  1197.918       164.0822 1194.296       
222.2445 1202.257       243.2734 74.24882 7.129556 74.26866 7.802075 
-0.1984406E-01 10.56896 
1 1 1 17  0   22 o 113.1130 4.953402  2793.371       232.7137 2859.143       
309.8631 2708.279       352.4479 114.9635 6.419940 111.2625 7.545141 3.701019 
9.906804 
1 1 1 17  0   23 o 35.03323 8.104836  279.4106       146.6766 131.9224       
215.5134 406.6794       200.1966 29.05568 11.64075 41.01077 11.28036 -11.95510 
16.20967 
1 1 1 17  0   24 o 31.23520 8.572598  190.4886       149.9736 194.0755       
175.7589 180.8833       287.6178 29.97318 10.84454 32.49722 13.27982 -2.524044 
17.14520 
1 1 1 17  0   25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  0   26 o 57.34555 9.789248  872.7266       233.6701 1256.136       
373.7269 626.6373       299.4120 67.87497 13.59471 46.81612 14.08905 21.05885 
19.57850 
1 1 1 17  0   27 o 31.10533 9.247987  178.4462       202.1744 319.7386       
321.2750 85.80951       260.1410 34.80126 14.10046 27.40939 11.96988 7.391869 
18.49597 
1 1 1 17  0   28 o 30.61476 9.235910  202.2418       202.0472 240.5855       
343.3856 181.9370       249.8815 32.06596 13.87546 29.16355 12.19343 2.902409 
18.47182 
1 1 1 17  0   29 o 53.73230 8.533194  850.1990       154.8681 802.2137       
363.8906 860.8129       171.1408 46.61773 15.69648 60.84686 6.699407 -14.22913 
17.06639 
1 1 1 17  0   30 o 27.88281 8.303800  184.6829       147.5072 237.3604       
309.1324 169.1530       167.8481 29.65584 12.99880 26.10977 10.33651 3.546068 
16.60760 
1 1 1 17  0   31 o 27.22301 7.711743  223.2022       147.5203 -52.35858      
314.2123 301.1162       167.0792 23.27839 11.16958 31.16762 10.63599 -7.889229 
15.42349 
1 1 1 17  0   32 o 26.29295 7.096999  203.6488       138.8325 -150.0251      
244.7813 371.3728       168.5677 19.20747 9.363065 33.37844 10.66783 -14.17097 
14.19400 
1 1 1 17  1   0  o 82.14404 4.022299  1430.507       136.6302 1389.203       
210.7216 1460.467       179.4681 81.07325 6.190882 83.21484 5.136977 -2.141594 
8.044598 
1 1 1 17  1   1  o 53.65686 5.405344  611.5709       121.5025 567.9451       
172.3529 654.6716       171.3128 51.73026 7.935880 55.58346 7.341172 -3.853199 
10.81069 
1 1 1 17  1   2  o 106.5801 4.267529  2409.524       190.0000 2659.544       
266.9694 2152.912       270.4660 112.2456 5.665173 100.9145 6.383811 11.33108 
8.535059 
1 1 1 17  1   3  o 33.96678 6.796294  249.3544       99.53699 236.6668       
127.6901 269.0044       158.9090 32.82335 9.000376 35.11021 10.18586 -2.286861 
13.59259 
1 1 1 17  1   4  o 247.8090 8.038587  13242.24       783.0593 13348.33       
955.9492 13025.86       1365.192 250.3281 9.095914 245.2899 13.25669 5.038147 
16.07717 
1 1 1 17  1   5  o 145.0622 4.398514  4445.552       262.9271 4432.848       
340.5108 4464.311       413.7754 144.9027 5.597261 145.2217 6.786633 
-0.3189850     8.797029 
1 1 1 17  1   6  o 103.4619 4.176593  2210.098       179.1658 2751.126       
276.9121 1820.524       234.9780 114.1180 5.779749 92.80585 6.030773 21.31214 
8.353187 
1 1 1 17  1   7  o 86.12257 4.354783  1569.764       157.2867 1592.321       
218.3713 1545.446       226.7387 86.78305 5.993517 85.46210 6.319359 1.320946 
8.709566 
1 1 1 17  1   8  o 135.6190 5.160050  3908.186       291.3481 3933.264       
388.5570 3875.978       440.3418 136.2175 6.794273 135.0206 7.768033 1.196884 
10.32010 
1 1 1 17  1   9  o 122.7656 5.351393  3206.706       275.6317 3272.548       
385.4606 3137.812       394.2936 124.0908 7.398806 121.4405 7.733518 2.650230 
10.70279 
1 1 1 17  1   10 f 83.62145 5.395768  1482.202       189.0001 1362.709       
258.2285 1620.068       277.3699 79.99837 7.688545 87.24453 7.572550 -7.246155 
10.79154 
1 1 1 17  1   11 o 51.13181 7.114151  590.1752       146.8381 482.6358       
225.0542 669.8889       193.7623 46.26159 11.59864 56.00202 8.241127 -9.740425 
14.22830 
1 1 1 17  1   12 f 58.49568 5.798195  723.7343       141.4716 667.0526       
187.4718 798.7066       215.6080 55.88977 7.989596 61.10159 8.404917 -5.211826 
11.59639 
1 1 1 17  1   13 o 86.54718 4.717294  1566.297       169.1925 1444.066       
219.1697 1746.573       266.1689 82.48741 6.328691 90.60695 6.997080 -8.119537 
9.434588 
1 1 1 17  1   14 o 214.6227 8.794415  10064.42       792.0240 9776.801       
1098.811 10375.46       1142.658 211.4764 12.37605 217.7691 12.49801 -6.292648 
17.58883 
1 1 1 17  1   15 o 46.74943 7.819400  491.7201       151.2069 507.2936       
217.4527 477.1406       210.3993 47.46575 11.09924 46.03311 11.01721 1.432640 
15.63880 
1 1 1 17  1   16 o 143.4816 5.100205  4362.270       288.6463 4449.005       
505.0749 4320.202       351.7470 144.1885 8.343463 142.7748 5.868133 1.413666 
10.20041 
1 1 1 17  1   17 o 63.29768 6.307206  875.5557       164.3450 765.3459       
247.7011 962.2220       219.6559 59.50477 9.915101 67.09058 7.798344 -7.585812 
12.61441 
1 1 1 17  1   18 o 44.46678 8.193592  460.8574       155.0187 367.9315       
243.2615 524.3960       201.1516 40.69519 12.79237 48.23837 10.24183 -7.543171 
16.38718 
1 1 1 17  1   19 o 42.18069 8.385879  409.4921       154.5979 375.4525       
233.5566 436.0374       206.2498 40.73510 12.48085 43.62628 11.20358 -2.891182 
16.77176 
1 1 1 17  1   20 o 100.9279 5.618007  2205.062       238.0321 2244.286       
338.7410 2166.802       334.5545 101.8225 7.924009 100.0333 7.966057 1.789246 
11.23601 
1 1 1 17  1   21 o 85.32024 5.546763  1580.844       198.5867 1616.241       
286.4362 1548.082       275.5671 86.21347 7.913595 84.42701 7.774403 1.786461 
11.09353 
1 1 1 17  1   22 o 61.45597 6.430348  861.0652       157.1632 652.9355       
224.5241 1061.015       220.0676 53.11860 10.43989 69.79335 7.510399 -16.67475 
12.86070 
1 1 1 17  1   23 o 37.03075 8.135920  322.4903       145.3169 208.0214       
214.8528 419.0073       197.2872 32.14124 11.94299 41.92026 11.05160 -9.779015 
16.27184 
1 1 1 17  1   24 f 100.8711 5.449296  2247.310       229.9978 2381.907       
342.6796 2136.974       310.2630 103.4773 7.887952 98.26484 7.520607 5.212463 
10.89859 
1 1 1 17  1   25 o 45.31136 9.528070  540.4962       193.9490 542.2749       
291.0035 539.0747       260.1527 45.10463 13.95430 45.51809 12.97745 
-0.4134674     19.05614 
1 1 1 17  1   26 o 31.12716 9.326072  154.6019       205.4211 109.1483       
353.1165 177.8528       252.5535 31.57818 13.86675 30.67615 12.47460 0.9020348 
18.65214 
1 1 1 17  1   27 o 58.39062 9.318267  985.0616       229.6870 693.6860       
357.1953 1190.479       299.9146 47.22345 15.55141 69.55779 10.27006 -22.33434 
18.63653 
1 1 1 17  1   28 o 30.87841 9.179205  188.1666       196.6158 312.4019       
320.7545 113.3887       248.8497 34.20502 14.00853 27.55181 11.86560 6.653208 
18.35841 
1 1 1 17  1   29 o 32.83083 9.233626  245.5819       154.1118 481.1666       
367.3011 195.2468       169.7792 37.56002 15.13491 28.10163 10.58177 9.458389 
18.46725 
1 1 1 17  1   30 o 51.87801 9.360877  401.6769       157.9838 1921.711       
473.4504 211.2199       167.5893 75.47961 15.47315 28.27640 10.53972 47.20321 
18.72175 
1 1 1 17  1   31 o 20.97099 6.892114  -34.88225      146.0796 -397.7010      
316.7390 63.14079       164.6345 20.05850 9.949700 21.88348 9.539833 -1.824978 
13.78423 
1 1 1 17  1   32 f 22.04824 6.863769  57.30955       125.9101 199.9725       
191.5802 -51.16659      167.0560 25.87052 10.73749 18.22596 8.552867 7.644556 
13.72754 
1 1 1 17  2   0  o 52.14825 5.316795  576.5575       116.3705 567.0677       
165.6326 585.8081       163.5330 51.71703 7.628395 52.57946 7.408159 
-0.8624306     10.63359 
1 1 1 17  2   1  o 38.75327 5.772268  330.6975       90.93346 331.2770       
130.6105 330.1523       126.6783 38.76965 8.268622 38.73688 8.056437 
0.3276825E-01  11.54454 
1 1 1 17  2   2  o 100.7542 4.344903  2143.249       183.7437 2195.172       
263.4178 2094.044       256.4289 101.9411 6.154840 99.56737 6.134385 2.373749 
8.689806 
1 1 1 17  2   3  o 265.9044 8.884299  15278.41       949.7106 15401.68       
1187.447 15059.60       1582.120 268.4050 10.53767 263.4038 14.30666 5.001221 
17.76860 
1 1 1 17  2   4  o 33.15022 7.322430  231.8763       114.1148 274.7669       
161.4885 189.0980       161.2771 35.47706 10.26041 30.82338 10.44969 4.653685 
14.64486 
1 1 1 17  2   5  o 49.53288 5.818439  528.9069       117.9791 585.4980       
168.7925 474.8506       164.9686 52.54811 7.650980 46.51765 8.768092 6.030453 
11.63688 
1 1 1 17  2   6  o 194.7680 6.329287  8065.423       511.9903 8158.292       
785.3426 7996.775       675.2020 195.5460 9.566019 193.9899 8.290403 1.556091 
12.65857 
1 1 1 17  2   7  o 129.5397 5.317940  3550.714       288.2448 3454.919       
389.7730 3666.337       428.2126 127.6604 7.272381 131.4190 7.761084 -3.758575 
10.63588 
1 1 1 17  2   8  o 127.8732 5.166583  3395.062       241.8049 3620.946       
485.4815 3320.537       278.8549 130.3239 8.872986 125.4226 5.295700 4.901222 
10.33317 
1 1 1 17  2   9  o 31.98613 7.754574  202.5793       125.3065 211.5367       
184.7399 194.9468       170.5319 32.61856 11.18354 31.35370 10.74533 1.264856 
15.50915 
1 1 1 17  2   10 o 195.7420 6.954831  8278.318       557.4798 7937.542       
881.3662 8505.577       719.7505 191.8594 10.94194 199.6247 8.587936 -7.765274 
13.90966 
1 1 1 17  2   11 o 98.88845 4.298302  2069.449       178.3225 2183.538       
256.0905 1962.063       248.4549 101.5422 6.007141 96.23468 6.149461 5.307541 
8.596604 
1 1 1 17  2   12 o 49.32089 7.182363  504.2157       139.2758 399.0027       
171.6587 706.9075       238.2590 42.24920 9.849916 56.39259 10.45584 -14.14340 
14.36473 
1 1 1 17  2   13 o 96.10013 4.669480  1908.572       185.0700 1694.357       
236.2382 2248.918       297.7733 89.35986 6.296928 102.8404 6.896728 -13.48054 
9.338960 
1 1 1 17  2   14 o 127.6030 4.585679  3457.347       245.0656 3459.323       
359.3218 3455.629       335.0952 127.5861 6.708125 127.6199 6.254187 
-0.3377533E-01 9.171357 
1 1 1 17  2   15 o 43.03300 7.670697  423.5374       139.8732 330.7394       
209.3997 498.3013       187.9546 38.78600 11.80459 47.27999 9.798467 -8.493992 
15.34139 
1 1 1 17  2   16 f 105.0118 4.865084  2362.472       211.2798 2230.383       
322.8322 2461.435       279.4339 102.2955 7.516942 107.7281 6.178330 -5.432579 
9.730168 
1 1 1 17  2   17 o 180.9275 6.576529  7091.405       490.5511 7339.300       
643.2024 6746.725       758.4419 185.1885 8.272842 176.6666 10.22560 8.521881 
13.15306 
1 1 1 17  2   18 f 75.53281 5.094275  1108.922       152.2179 1562.271       
278.5116 915.8236       181.7673 85.46234 7.762284 65.60326 6.599505 19.85908 
10.18855 
1 1 1 17  2   19 o 132.1012 6.045093  3762.012       334.8353 3792.668       
486.7675 3734.478       461.3142 132.5287 8.748480 131.6736 8.344860 0.8551025 
12.09019 
1 1 1 17  2   20 o 34.01973 8.654000  216.4720       159.1245 309.0826       
239.2286 142.9846       213.1026 37.78988 12.72692 30.24959 11.72998 7.540283 
17.30800 
1 1 1 17  2   21 o 58.95422 6.526284  760.2533       160.9295 786.6909       
239.6496 738.5402       217.1827 59.79658 9.546000 58.11185 8.901876 1.684727 
13.05257 
1 1 1 17  2   22 o 42.89870 8.201743  426.2232       152.3435 524.2416       
225.6895 344.1788       206.4820 47.23277 11.47774 38.56463 11.71904 8.668144 
16.40349 
1 1 1 17  2   23 o 49.27488 7.564529  553.0695       151.6955 730.5833       
234.0216 424.4311       199.2165 56.18750 10.30509 42.36226 11.07671 13.82525 
15.12906 
1 1 1 17  2   24 o 28.32533 7.843870  85.08185       143.9693 265.8749       
219.1128 -52.26693      190.9806 34.47292 12.14434 22.17774 9.930768 12.29518 
15.68774 
1 1 1 17  2   25 o 32.53504 8.822149  212.2873       167.0783 174.2873       
219.0505 265.1464       258.3524 30.39365 11.87053 34.67643 13.05418 -4.282780 
17.64430 
1 1 1 17  2   26 o 46.58831 8.871170  569.8788       178.2170 617.5425       
239.3386 510.5620       266.9977 49.35683 11.71111 43.81980 13.32818 5.537029 
17.74234 
1 1 1 17  2   27 o 49.02613 10.25393  673.1964       217.9920 769.7521       
371.9134 622.6630       269.0554 50.29458 15.81890 47.75768 13.05125 2.536903 
20.50787 
1 1 1 17  2   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  2   29 o 38.64462 9.362118  382.8902       152.9282 598.6162       
358.2884 334.8332       169.1063 41.89930 15.45151 35.38994 10.57581 6.509361 
18.72424 
1 1 1 17  2   30 o 36.64541 9.225769  396.9851       157.9824 438.6570       
398.7588 389.2264       172.0621 35.64536 15.17475 37.64546 10.49697 -2.000099 
18.45154 
1 1 1 17  2   31 o 24.53663 7.589175  98.35358       143.4183 -81.21759      
307.4806 148.2831       162.1355 23.84663 11.32934 25.22663 10.10090 -1.380005 
15.17835 
1 1 1 17  2   32 o 21.84512 6.822919  62.79254       123.5289 19.15044       
193.8930 92.60896       160.2643 21.33832 9.726467 22.35193 9.571037 -1.013613 
13.64584 
1 1 1 17  2   33 o 26.03435 7.101947  202.2914       126.2150 14.54309       
198.1652 330.4392       163.7174 20.51163 9.534274 31.55706 10.52845 -11.04544 
14.20389 
1 1 1 17  3   0  o 96.00464 3.777010  1892.031       148.3998 1728.138       
186.7560 2172.799       244.4369 90.55012 4.912547 101.4592 5.738476 -10.90905 
7.554021 
1 1 1 17  3   1  o 127.8000 4.417356  3452.054       236.8742 3521.018       
331.5890 3380.186       338.4993 129.1207 6.116813 126.4793 6.374696 2.641441 
8.834713 
1 1 1 17  3   2  o 105.6087 4.071347  2349.148       180.3418 2228.076       
249.0443 2482.628       261.4947 102.7518 5.773090 108.4657 5.742376 -5.713905 
8.142694 
1 1 1 17  3   3  o 219.2721 7.553329  10274.94       688.3506 10269.31       
911.5235 10282.42       1050.060 219.4802 9.892217 219.0640 11.41732 0.4161987 
15.10666 
1 1 1 17  3   4  o 102.5961 4.310999  2223.123       185.4703 2365.229       
264.0083 2084.646       260.6139 105.8492 5.940885 99.34300 6.248580 6.506172 
8.621999 
1 1 1 17  3   5  o 180.4435 6.330545  6948.977       477.0233 7206.433       
649.7269 6647.918       702.5965 184.2218 8.400612 176.6653 9.472746 7.556519 
12.66109 
1 1 1 17  3   6  o 76.62379 4.729579  1231.598       150.6529 1173.176       
197.6933 1312.518       232.6636 74.50538 6.320120 78.74220 7.037881 -4.236816 
9.459159 
1 1 1 17  3   7  o 33.01112 7.539525  224.0470       119.1547 265.9256       
176.6014 189.0511       161.4380 35.20977 10.86613 30.81246 10.45490 4.397310 
15.07905 
1 1 1 17  3   8  o 72.00027 5.217962  1091.502       156.4410 1305.455       
231.1390 910.6388       212.5146 78.50049 7.013292 65.50007 7.728017 13.00042 
10.43592 
1 1 1 17  3   9  o 135.3688 5.942374  3930.050       334.9651 3580.829       
491.1784 4233.667       457.9858 129.5595 9.030067 141.1781 7.726910 -11.61853 
11.88475 
1 1 1 17  3   10 o 43.87129 7.080307  423.2836       128.4358 544.8608       
189.8196 320.6253       174.4264 49.69504 9.439264 38.04754 10.55572 11.64750 
14.16061 
1 1 1 17  3   11 o 173.0979 6.434681  6434.681       418.9652 6466.745       
494.2617 6352.831       789.6926 174.6008 6.742669 171.5951 10.96161 3.005737 
12.86936 
1 1 1 17  3   12 o 53.64046 6.445289  600.1874       139.0377 520.9999       
174.4319 738.1605       230.2474 48.61640 8.875430 58.66452 9.348462 -10.04812 
12.89058 
1 1 1 17  3   13 o 167.3025 7.004278  6036.175       476.9245 6061.144       
605.7479 5995.455       773.5627 168.2906 8.573400 166.3144 11.07865 1.976227 
14.00856 
1 1 1 17  3   14 o 154.4948 6.047759  5063.038       371.1789 5260.768       
642.9100 4964.177       454.5962 156.2602 9.799930 152.7295 7.089636 3.530685 
12.09552 
1 1 1 17  3   15 o 115.7887 4.435423  2855.369       213.5902 2759.137       
321.8667 2931.092       285.5144 113.9464 6.728165 117.6310 5.781324 -3.684639 
8.870846 
1 1 1 17  3   16 o 139.3821 5.990460  4165.428       344.4214 4109.760       
537.4293 4204.226       448.6694 138.3351 9.253588 140.4292 7.610096 -2.094116 
11.98092 
1 1 1 17  3   17 o 113.5859 5.518028  2759.471       260.9627 2705.760       
392.9552 2801.850       349.0481 112.4665 8.322251 114.7053 7.248081 -2.238739 
11.03606 
1 1 1 17  3   18 o 29.77032 8.211813  121.6108       147.2404 162.4214       
224.5618 90.83454       195.0100 31.79267 12.11271 27.74797 11.09134 4.044697 
16.42363 
1 1 1 17  3   19 o 70.03764 6.010024  992.2398       170.7309 1451.496       
280.0530 720.5941       215.3843 82.24749 8.110333 57.82779 8.871529 24.41970 
12.02005 
1 1 1 17  3   20 o 89.26997 5.374197  1716.055       200.4864 1762.884       
273.1542 1661.368       295.1870 90.70450 7.172989 87.83544 8.004762 2.869057 
10.74839 
1 1 1 17  3   21 o 93.77647 5.390434  1872.863       210.1297 2072.889       
325.9950 1730.682       274.8455 97.89834 7.931525 89.65462 7.301918 8.243721 
10.78087 
1 1 1 17  3   22 o 53.21438 7.535811  651.0887       161.2086 651.6561       
245.4681 650.6585       213.7711 52.93632 11.37203 53.49244 9.890947 
-0.5561180     15.07162 
1 1 1 17  3   23 o 48.99586 7.538620  564.2030       153.8278 425.6981       
226.1659 683.4346       209.8409 42.37978 12.10564 55.61194 8.987589 -13.23216 
15.07724 
1 1 1 17  3   24 o 28.38058 8.075907  104.0325       149.0072 176.3129       
220.0830 42.85658       202.4727 31.06952 11.94682 25.69165 10.86989 5.377869 
16.15181 
1 1 1 17  3   25 o 26.43003 8.037802  11.07822       157.7000 -63.04204      
199.5619 134.3306       257.3398 22.31361 10.06459 30.54644 12.53511 -8.232834 
16.07560 
1 1 1 17  3   26 o 41.86319 8.788423  442.7195       160.5536 438.4912       
197.0639 451.0672       276.8919 42.09445 11.02135 41.63192 13.69216 0.4625244 
17.57685 
1 1 1 17  3   27 o 51.39247 8.559781  686.0186       181.7750 716.9904       
251.6889 652.2497       262.8087 53.03576 11.62156 49.74919 12.57055 3.286568 
17.11956 
1 1 1 17  3   28 o 51.69485 10.04648  691.3697       208.0359 1027.951       
393.2602 560.5779       245.1462 58.04126 15.74195 45.34845 12.48671 12.69281 
20.09296 
1 1 1 17  3   29 o 44.14519 9.347890  488.4503       167.9482 0.000000       
0.000000 488.4503       167.9482 ?        ?        44.14519 9.347890 ? ? 
1 1 1 17  3   30 o 36.47507 9.117058  374.2414       151.1620 420.8970       
383.2402 365.6455       164.4987 36.00282 15.07974 36.94733 10.25107 
-0.9445152     18.23412 
1 1 1 17  3   31 o 41.85742 9.334203  362.5433       150.1487 1061.834       
370.5668 225.1855       164.2345 54.77109 15.44795 28.94375 10.48190 25.82734 
18.66841 
1 1 1 17  3   32 o 21.09919 6.689671  26.39662       121.1656 15.01748       
190.4970 34.12795       157.0219 21.49549 9.755866 20.70289 9.155866 0.7925911 
13.37934 
1 1 1 17  3   33 o 19.94603 6.344426  -11.51996      123.3972 -235.7261      
194.9402 138.3807       159.3967 16.44441 8.100309 23.44765 9.766880 -7.003239 
12.68885 
1 1 1 17  4   0  o 187.0930 6.055119  7505.573       461.2589 7738.917       
590.2084 7139.414       739.3370 191.1568 7.354221 183.0293 9.621502 8.127457 
12.11024 
1 1 1 17  4   1  o 171.4352 5.167923  6089.064       354.8550 5798.960       
435.6867 6660.741       611.6065 165.6911 6.263198 177.1794 8.222049 -11.48827 
10.33585 
1 1 1 17  4   2  o 47.12740 5.983453  481.7325       114.8531 571.5844       
164.1022 395.4584       160.8019 51.95261 7.523641 42.30219 9.306003 9.650425 
11.96691 
1 1 1 17  4   3  o 50.08807 5.819324  537.4828       117.7077 681.2054       
173.9103 415.9860       159.8988 56.73261 7.301526 43.44353 9.063435 13.28908 
11.63865 
1 1 1 17  4   4  o 119.1777 4.495067  3021.572       216.7186 3083.120       
273.7906 2918.309       354.6333 120.9185 5.393202 117.4370 7.192764 3.481567 
8.990133 
1 1 1 17  4   5  o 64.30833 4.816563  874.0146       129.8108 804.6619       
181.1775 947.1721       186.0810 61.67541 6.997022 66.94125 6.621087 -5.265842 
9.633126 
1 1 1 17  4   6  o 103.1943 4.500302  2241.486       194.3368 2352.709       
289.1519 2149.856       262.4516 105.5025 6.528059 100.8861 6.196394 4.616478 
9.000604 
1 1 1 17  4   7  o 80.10419 4.767336  1350.863       159.8643 1220.566       
218.3499 1501.402       234.6991 75.95114 6.847620 84.25723 6.634761 -8.306084 
9.534672 
1 1 1 17  4   8  o 96.21294 4.161962  1972.484       166.6056 1758.634       
243.0765 2161.956       228.8025 91.20282 6.348277 101.2231 5.383967 -10.02024 
8.323924 
1 1 1 17  4   9  o 28.11922 7.457978  114.5094       121.3756 193.8848       
180.8130 49.40483       163.7542 31.68086 11.04440 24.55758 10.02531 7.123283 
14.91596 
1 1 1 17  4   10 o 219.9600 9.134353  10410.16       802.6671 10208.29       
989.7053 10798.12       1372.025 217.9487 10.81615 221.9714 14.72265 -4.022690 
18.26871 
1 1 1 17  4   11 o 38.23799 7.262813  290.2979       113.3195 223.4023       
136.0596 441.7773       204.7422 32.05392 9.465844 44.42206 11.01779 -12.36814 
14.52563 
1 1 1 17  4   12 o 22.05618 6.630854  -35.04111      115.0606 -166.3131      
165.0795 88.98598       160.4595 18.19853 8.533164 25.91383 10.15175 -7.715296 
13.26171 
1 1 1 17  4   13 f 36.40582 7.847399  290.1497       130.6727 265.5167       
197.2791 309.4055       174.4228 35.45747 11.55733 37.35416 10.61861 -1.896683 
15.69480 
1 1 1 17  4   14 o 152.7499 6.142024  5016.429       392.2455 4706.015       
569.0550 5297.420       541.4144 148.0619 9.154444 157.4378 8.191092 -9.375916 
12.28405 
1 1 1 17  4   15 o 109.3625 4.528355  2538.369       207.7171 2524.976       
287.2104 2553.056       300.7713 109.0851 6.271272 109.6398 6.534153 
-0.5546417     9.056710 
1 1 1 17  4   16 o 91.69473 5.099276  1790.899       196.1686 1853.237       
276.1137 1727.363       278.7538 93.33571 7.046301 90.05374 7.372931 3.281967 
10.19855 
1 1 1 17  4   17 o 188.5191 7.242442  7634.716       569.6650 8000.724       
862.3658 7351.346       758.7925 192.2795 10.68266 184.7588 9.782255 7.520737 
14.48488 
1 1 1 17  4   18 o 172.1960 7.098795  6350.419       497.9668 6611.988       
815.0904 6194.653       628.9992 174.4586 11.12844 169.9334 8.816422 4.525177 
14.19759 
1 1 1 17  4   19 f 57.54385 6.834586  712.9222       156.0330 1055.740       
238.2863 455.5894       206.4499 70.20914 8.084003 44.87855 11.02248 25.33059 
13.66917 
1 1 1 17  4   20 o 58.38362 6.938750  736.7032       164.0794 935.6612       
250.3590 586.9069       217.2367 65.77596 9.066028 50.99129 10.50677 14.78467 
13.87750 
1 1 1 17  4   21 o 67.01843 6.084093  989.0118       168.1848 848.1716       
249.3819 1106.511       227.7817 62.33166 9.529656 71.70520 7.566398 -9.373543 
12.16819 
1 1 1 17  4   22 o 86.15268 4.828032  1581.221       170.5930 1664.870       
274.9804 1528.883       217.5101 87.78905 7.460748 84.51631 6.129992 3.272743 
9.656064 
1 1 1 17  4   23 f 35.57515 8.556691  275.3967       158.0547 163.3219       
238.6633 362.9473       210.9412 31.63142 12.38306 39.51887 11.81218 -7.887447 
17.11338 
1 1 1 17  4   24 o 34.68854 8.167799  254.4998       152.0248 76.82714       
223.0603 408.6145       207.7467 27.87988 11.57971 41.49719 11.52224 -13.61731 
16.33560 
1 1 1 17  4   25 o 29.33000 8.221875  141.2590       150.1039 183.5144       
187.4501 65.73671       250.6010 30.20595 11.16906 28.45405 12.06852 1.751902 
16.44375 
1 1 1 17  4   26 o 96.34163 5.901043  2067.463       236.5387 1931.444       
310.7130 2254.947       364.7888 92.90235 7.966247 99.78090 8.707935 -6.878548 
11.80209 
1 1 1 17  4   27 o 34.13994 8.898147  274.5140       169.0900 244.4658       
243.8818 302.3292       234.6444 33.07972 12.61720 35.20016 12.55048 -2.120438 
17.79629 
1 1 1 17  4   28 o 25.75595 6.853527  138.2947       108.1823 -270.9494      
278.8362 210.8129       117.3766 21.88776 10.50710 29.62414 8.802514 -7.736382 
13.70705 
1 1 1 17  4   29 o 20.54602 6.760508  -53.49730      120.9616 -238.7387      
279.4231 -10.77723      134.1866 22.02750 10.56059 19.06453 8.443448 2.962971 
13.52102 
1 1 1 17  4   30 o 50.96005 9.175105  572.0715       152.9298 1131.929       
396.7160 474.3545       165.7394 58.71429 15.76023 43.20581 9.399221 15.50848 
18.35021 
1 1 1 17  4   31 o 21.67634 10.44021  -210.2226      281.0290 -210.2226      
281.0290 0.000000       0.000000 21.67634 10.44021 ?        ?        ? ? 
1 1 1 17  4   32 o 30.38233 6.130944  155.6760       130.9307 -369.1245      
201.6706 538.0506       172.1432 15.79360 7.849096 44.97106 9.420488 -29.17746 
12.26189 
1 1 1 17  4   33 o 29.99284 6.923021  245.5283       129.4929 -45.32103      
196.0669 470.5502       172.4577 19.93840 9.340104 40.04728 10.22132 -20.10889 
13.84604 
1 1 1 17  4   34 o 26.63535 7.191823  231.0106       131.9400 -14.56958      
240.0870 337.2675       157.9249 21.06795 10.01009 32.20274 10.32895 -11.13479 
14.38365 
1 1 1 17  5   0  o 114.0202 4.344056  2754.253       206.7462 2661.518       
306.3879 2831.779       280.1387 112.2103 6.503693 115.8301 5.760666 -3.619843 
8.688112 
1 1 1 17  5   1  o 61.57870 4.791457  813.1094       120.9228 1020.569       
171.7191 609.0383       170.3108 69.53603 5.882066 53.62138 7.565286 15.91465 
9.582914 
1 1 1 17  5   2  o 154.5326 5.557088  5000.423       350.4904 4814.129       
442.5482 5313.895       574.0627 150.8704 6.986787 158.1947 8.643478 -7.324265 
11.11418 
1 1 1 17  5   3  o 125.5222 4.560615  3316.919       239.9139 3125.600       
327.8341 3537.530       352.0362 121.6422 6.419351 129.4022 6.479874 -7.760086 
9.121230 
1 1 1 17  5   4  o 119.2502 4.930314  2996.856       245.4472 2914.349       
328.1552 3101.631       369.7927 117.4324 6.655987 121.0680 7.275287 -3.635582 
9.860627 
1 1 1 17  5   5  o 199.3456 6.008451  8428.177       502.4176 8579.486       
728.4664 8290.906       693.8486 201.0157 8.631783 197.6755 8.360516 3.340271 
12.01690 
1 1 1 17  5   6  o 54.46196 5.326456  618.4472       115.9183 659.8394       
199.7415 597.4269       142.3406 55.74611 8.534433 53.17780 6.375577 2.568310 
10.65291 
1 1 1 17  5   7  o 190.0597 6.099710  7683.282       485.9973 8140.320       
686.1290 7223.097       688.4850 195.8111 8.346214 184.3083 8.897557 11.50284 
12.19942 
1 1 1 17  5   8  o 161.9047 5.688434  5618.416       377.3185 5837.215       
488.9295 5296.227       593.3069 166.0543 7.013218 157.7552 8.958119 8.299088 
11.37687 
1 1 1 17  5   9  o 144.2388 5.311351  4406.988       321.1918 4504.120       
468.6899 4320.979       441.0377 145.7060 7.661773 142.7715 7.357922 2.934433 
10.62270 
1 1 1 17  5   10 o 100.6579 4.446776  2142.672       187.8094 2127.098       
260.7584 2159.460       270.7272 100.2895 6.193040 101.0263 6.382909 
-0.7367706     8.893553 
1 1 1 17  5   11 o 91.72012 4.618389  1772.435       174.5535 1734.353       
225.0897 1829.886       276.4691 90.56332 5.920035 92.87693 7.090221 -2.313606 
9.236777 
1 1 1 17  5   12 o 68.11220 5.505239  984.3928       156.8871 1105.209       
228.1031 875.9327       216.1248 72.09589 7.536016 64.12850 8.027395 7.967384 
11.01048 
1 1 1 17  5   13 o 146.1027 5.019835  4533.132       307.7490 4333.368       
429.3364 4744.240       441.3582 142.7786 7.162354 149.4269 7.035314 -6.648331 
10.03967 
1 1 1 17  5   14 o 209.3572 8.708693  9465.847       752.2637 10119.26       
1193.831 9035.551       968.7964 214.6536 13.24725 204.0609 11.30821 10.59273 
17.41739 
1 1 1 17  5   15 o 165.1183 6.094324  5852.898       421.4659 6159.964       
587.6309 5527.600       604.8265 169.7277 8.246564 160.5090 8.975372 9.218643 
12.18865 
1 1 1 17  5   16 o 113.7830 4.840466  2771.422       226.8962 2859.322       
296.5660 2647.338       352.3577 116.1250 6.082987 111.4411 7.531118 4.683868 
9.680933 
1 1 1 17  5   17 o 94.65257 4.578246  1911.425       179.7308 1835.678       
273.2683 1969.172       238.5999 92.90130 7.006296 96.40383 5.895180 -3.502533 
9.156491 
1 1 1 17  5   18 o 96.66074 5.344978  1992.041       216.8911 1997.750       
308.8330 1986.484       304.6700 96.78925 7.600071 96.53223 7.517586 0.2570114 
10.68996 
1 1 1 17  5   19 o 192.4528 6.548453  7966.429       528.6633 8428.364       
756.7960 7526.184       738.8140 197.9774 9.105090 186.9282 9.414154 11.04922 
13.09691 
1 1 1 17  5   20 o 68.68557 5.118642  1000.642       144.6084 749.8862       
195.6082 1302.855       214.7429 59.15234 7.876551 78.21880 6.539261 -19.06646 
10.23728 
1 1 1 17  5   21 o 61.66988 6.474414  885.2689       151.1004 674.6697       
245.5344 1013.641       191.6984 54.46062 11.12330 68.87915 6.629058 -14.41853 
12.94883 
1 1 1 17  5   22 o 39.08253 8.421996  330.1780       153.4968 471.3006       
234.2291 223.9538       203.2143 45.00684 12.12313 33.15823 11.69401 11.84861 
16.84399 
1 1 1 17  5   23 o 71.60181 5.690070  1113.449       169.7713 1098.607       
226.1369 1132.619       256.9989 71.20272 7.564772 72.00089 8.501870 
-0.7981720     11.38014 
1 1 1 17  5   24 o 36.33153 7.600488  271.2814       153.7716 -55.85254      
229.2342 538.9152       207.3419 24.55450 10.94044 48.10855 10.55350 -23.55405 
15.20098 
1 1 1 17  5   25 o 29.30906 7.371796  180.8701       114.0071 217.5230       
139.4209 106.9012       198.0606 30.96765 9.674576 27.65046 11.12547 3.317198 
14.74359 
1 1 1 17  5   26 o 59.03569 7.773566  826.3088       186.6129 821.7377       
283.4466 829.8060       247.9266 57.90099 12.05786 60.17039 9.814345 -2.269398 
15.54713 
1 1 1 17  5   27 o 37.87624 8.963277  347.4628       172.0401 479.6302       
252.3552 232.6961       235.1571 43.03556 12.93124 32.71692 12.41549 10.31864 
17.92655 
1 1 1 17  5   28 o 22.01927 6.525400  -4.889156      122.3427 -730.7743      
293.7326 147.4694       134.5711 17.84078 8.960963 26.19776 9.488126 -8.356983 
13.05080 
1 1 1 17  5   29 o 57.49195 7.718385  1016.372       148.7935 525.0181       
306.0842 1168.414       170.2653 42.20712 14.39585 72.77678 5.572554 -30.56966 
15.43677 
1 1 1 17  5   30 o 26.87417 7.819526  -93.39343      122.0151 480.3387       
293.3898 -213.3759      134.1681 39.65845 14.04451 14.08988 6.879795 25.56857 
15.63905 
1 1 1 17  5   31 o 35.43371 7.303207  371.2660       134.8279 102.7121       
233.4394 505.6972       165.1613 26.24712 11.40013 44.62029 9.131510 -18.37317 
14.60641 
1 1 1 17  5   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  5   33 o 29.23980 6.769745  214.8297       125.1219 -78.91549      
191.5537 433.4280       165.2450 19.37393 9.106203 39.10566 10.01972 -19.73173 
13.53949 
1 1 1 17  5   34 o 20.20525 6.630713  4.541899       132.1958 -229.5508      
279.9468 71.72263       149.9699 19.61262 9.660237 20.79788 9.085441 -1.185255 
13.26143 
1 1 1 17  6   0  o 122.4070 4.018775  3157.698       205.5810 3115.626       
276.9260 3209.352       306.8409 121.5290 5.427564 123.2850 5.928217 -1.756035 
8.037550 
1 1 1 17  6   1  o 58.14287 4.750228  710.5056       112.3700 494.1299       
151.4476 975.5255       167.6090 48.30252 7.468161 67.98322 5.872413 -19.68071 
9.500456 
1 1 1 17  6   2  o 35.76857 6.661752  281.7212       104.8559 182.8798       
149.1997 378.1847       147.3941 30.11128 10.05081 41.42586 8.746260 -11.31458 
13.32350 
1 1 1 17  6   3  o 80.54526 4.126535  1368.539       139.4052 1360.837       
192.6819 1376.998       201.9413 80.31609 5.714253 80.77443 5.954871 
-0.4583359     8.253071 
1 1 1 17  6   4  o 22.43178 6.669823  14.53584       106.7394 3.701525       
153.2958 24.73205       148.7130 22.19451 9.427430 22.66905 9.437675 
-0.4745369     13.33965 
1 1 1 17  6   5  o 137.3655 4.597230  3989.693       264.8401 3903.623       
380.9496 4070.207       368.4444 135.9065 6.676491 138.8245 6.321597 -2.917999 
9.194461 
1 1 1 17  6   6  o 213.0347 6.637829  9679.741       576.1589 9561.578       
931.4484 9752.971       733.2732 211.6235 10.48374 214.4458 8.144590 -2.822388 
13.27566 
1 1 1 17  6   7  o 95.53245 4.401939  1957.022       172.5685 1769.841       
266.5811 2092.039       226.4080 91.46870 6.941893 99.59619 5.414646 -8.127487 
8.803878 
1 1 1 17  6   8  o 107.8961 5.170728  2473.917       230.8248 2415.698       
355.8387 2516.211       303.2928 106.7101 7.942711 109.0821 6.622617 -2.372025 
10.34146 
1 1 1 17  6   9  o 83.08743 4.908128  1462.589       170.5514 1473.897       
231.7864 1449.239       251.8535 83.47025 6.614198 82.70462 7.253361 0.7656326 
9.816256 
1 1 1 17  6   10 o 165.7097 6.597890  5860.832       412.5802 5863.542       
487.0672 5853.948       776.2842 166.3688 6.973295 165.0505 11.20276 1.318298 
13.19578 
1 1 1 17  6   11 o 153.0451 5.756307  4971.720       368.3114 5634.480       
534.1085 4370.822       508.5713 162.8284 7.813048 143.2618 8.455564 19.56657 
11.51261 
1 1 1 17  6   12 o 93.53255 4.298561  1851.577       168.7481 1861.948       
236.2079 1840.767       241.1608 93.81012 5.997437 93.25498 6.159646 0.5551376 
8.597121 
1 1 1 17  6   13 o 130.0664 5.605306  3608.632       305.6921 3433.866       
435.1121 3778.974       429.5691 126.8939 8.167353 133.2388 7.679333 -6.344826 
11.21061 
1 1 1 17  6   14 o 86.41966 4.765544  1534.869       156.0299 1705.677       
299.3611 1471.160       182.8271 89.41495 7.974553 83.42439 5.219976 5.990562 
9.531088 
1 1 1 17  6   15 o 68.54507 5.139721  939.7863       140.5002 605.3401       
177.9954 1492.628       228.8475 53.24478 7.962562 83.84537 6.501119 -30.60059 
10.27944 
1 1 1 17  6   16 o 47.92767 6.225681  508.1960       120.3484 458.1460       
183.7557 545.7903       159.2577 45.25470 9.941685 50.60064 7.496620 -5.345940 
12.45136 
1 1 1 17  6   17 o 66.75928 5.732809  954.7363       157.8853 738.0417       
218.2547 1192.620       228.6767 58.67659 8.859716 74.84196 7.277761 -16.16536 
11.46562 
1 1 1 17  6   18 o 135.0028 4.995594  3879.804       282.6602 3915.840       
389.6100 3839.760       410.7079 135.7220 6.837553 134.2835 7.285033 1.438568 
9.991187 
1 1 1 17  6   19 o 166.3898 6.251169  5966.769       429.8981 6100.709       
564.6638 5782.083       663.0556 168.9629 7.960119 163.8167 9.640798 5.146255 
12.50234 
1 1 1 17  6   20 o 138.6486 6.116933  4036.963       340.7369 4452.416       
583.6987 3822.207       419.6629 143.5314 9.686410 133.7658 7.472681 9.765564 
12.23387 
1 1 1 17  6   21 o 34.54220 8.418652  206.2670       154.7262 393.9720       
239.7551 72.29614       202.5514 41.76350 12.61543 27.32090 11.15104 14.44261 
16.83730 
1 1 1 17  6   22 o 109.8676 5.025669  2605.042       229.3473 2695.932       
306.3489 2489.141       345.9400 112.2598 6.499997 107.4754 7.666774 4.784378 
10.05134 
1 1 1 17  6   23 o 86.36891 5.171365  1593.626       183.2562 1690.499       
295.4631 1533.061       233.6209 88.25278 7.974362 84.48505 6.586473 3.767723 
10.34273 
1 1 1 17  6   24 o 62.39710 5.548742  838.1168       142.3291 799.6264       
181.8776 898.9285       228.6107 60.77145 7.128542 64.02275 8.505177 -3.251297 
11.09748 
1 1 1 17  6   25 o 42.26267 7.010937  417.0349       122.9649 343.6955       
173.3708 491.2743       174.4314 38.29439 10.48165 46.23096 9.313855 -7.936573 
14.02187 
1 1 1 17  6   26 o 29.41554 8.198925  37.73122       172.4922 -235.3632      
239.1041 334.0973       249.0834 21.15154 10.02127 37.67954 12.97935 -16.52800 
16.39785 
1 1 1 17  6   27 o 36.11251 8.799494  299.0906       174.8227 113.4341       
256.2384 460.7715       239.1214 29.56970 12.35437 42.65532 12.53371 -13.08562 
17.59899 
1 1 1 17  6   28 o 50.38944 7.222627  460.7816       124.2514 983.8742       
291.0725 344.2231       137.3990 62.78286 11.46882 37.99603 8.782455 24.78682 
14.44525 
1 1 1 17  6   29 o 29.52756 8.271580  135.0582       124.3590 328.4757       
286.5565 90.17805       138.0350 35.68944 13.65796 23.36567 9.334684 12.32377 
16.54316 
1 1 1 17  6   30 o 37.94888 8.551700  311.4718       128.8071 604.9031       
291.9637 240.5572       143.5302 44.98992 13.98912 30.90784 9.840271 14.08208 
17.10340 
1 1 1 17  6   31 o 35.97659 8.110714  321.6747       128.1903 490.1402       
239.3657 253.9278       151.7928 40.78684 12.66335 31.16633 10.13777 9.620504 
16.22143 
1 1 1 17  6   32 o 22.80514 7.103293  49.79672       126.4845 1.209257       
232.2018 70.29596       150.8247 23.41169 10.66416 22.19859 9.386303 1.213095 
14.20659 
1 1 1 17  6   33 f 51.71061 8.318241  671.7841       180.5885 0.000000       
0.000000 671.7841       180.5885 ?        ?        51.71061 8.318241 ? ? 
1 1 1 17  6   34 o 24.97737 7.792979  137.7168       136.9254 190.6899       
315.4743 125.4213       151.9876 26.83000 12.29511 23.12474 9.578738 3.705252 
15.58596 
1 1 1 17  6   35 o 23.38230 7.217066  140.3760       135.0468 -100.6502      
324.2096 190.9750       148.5473 21.69746 10.61734 25.06714 9.778361 -3.369684 
14.43413 
1 1 1 17  7   0  o 35.18043 6.592876  271.1881       101.5276 186.3483       
142.5767 358.4632       144.6084 30.07844 9.825194 40.28242 8.793727 -10.20398 
13.18575 
1 1 1 17  7   1  o 172.9048 6.033319  6345.941       437.7802 6606.447       
627.7690 6099.321       610.8087 176.3696 8.478072 169.4400 8.586387 6.929688 
12.06664 
1 1 1 17  7   2  o 139.2276 5.071577  4094.460       294.6759 4033.818       
394.4052 4171.086       443.3441 138.1193 6.801572 140.3359 7.524772 -2.216553 
10.14315 
1 1 1 17  7   3  o 113.9162 4.738636  2757.719       225.2298 2920.001       
308.0232 2571.257       330.1755 117.5893 6.239314 110.2430 7.133698 7.346230 
9.477272 
1 1 1 17  7   4  o 68.33441 5.063307  984.3633       141.6727 714.0218       
192.2616 1305.559       209.5661 58.04702 7.889214 78.62181 6.348907 -20.57479 
10.12661 
1 1 1 17  7   5  o 189.3151 6.394289  7654.415       498.1759 7422.326       
779.5707 7814.613       647.6761 186.6318 9.949265 191.9984 8.034916 -5.366623 
12.78858 
1 1 1 17  7   6  o 113.5948 4.643991  2622.491       211.2582 3071.342       
368.8251 2403.325       257.7249 120.4635 7.292661 106.7260 5.751845 13.73751 
9.287983 
1 1 1 17  7   7  o 65.74046 5.172685  905.5970       141.8161 995.4587       
216.3350 837.8808       187.7960 68.55548 7.516327 62.92543 7.108552 5.630054 
10.34537 
1 1 1 17  7   8  o 58.88557 5.260539  737.1902       127.8921 719.6702       
198.5440 749.6154       167.2011 58.23408 8.120833 59.53705 6.689181 -1.302967 
10.52108 
1 1 1 17  7   9  o 142.9702 6.012955  4239.678       320.3991 4120.839       
372.7304 4576.008       627.0443 139.6184 6.358770 146.3219 10.20728 -6.703461 
12.02591 
1 1 1 17  7   10 o 35.85905 7.834372  273.3481       127.6885 262.3120       
164.3426 290.1581       202.8273 34.80140 10.43103 36.91670 11.69201 -2.115299 
15.66874 
1 1 1 17  7   11 o 37.65762 7.010475  304.2299       115.2887 200.5804       
155.2096 431.8083       172.1961 31.19572 10.25123 44.11951 9.565523 -12.92380 
14.02095 
1 1 1 17  7   12 o 75.76057 4.915689  1220.308       155.5401 1185.380       
230.1234 1249.685       211.0464 74.71592 7.336158 76.80521 6.544981 -2.089294 
9.831378 
1 1 1 17  7   13 o 90.65596 5.039005  1727.793       190.4542 1894.553       
290.9796 1602.807       251.9108 94.41146 7.341061 86.90047 6.904716 7.510994 
10.07801 
1 1 1 17  7   14 o 19.97890 6.407676  -96.49753      117.3764 -41.00850      
158.8302 -163.2660      174.2268 21.01498 9.262108 18.94283 8.857009 2.072155 
12.81535 
1 1 1 17  7   15 o 158.4924 5.571484  5361.808       370.6032 5516.207       
523.7654 5206.999       524.4595 160.8176 7.757546 156.1672 7.999139 4.650406 
11.14297 
1 1 1 17  7   16 o 110.4846 5.022883  2599.575       232.7906 2717.037       
328.8375 2481.571       329.5951 113.0246 6.929943 107.9447 7.272779 5.079834 
10.04577 
1 1 1 17  7   17 o 91.79314 5.075696  1797.013       195.2020 1894.340       
273.0457 1695.270       279.1708 94.39009 6.890171 89.19619 7.454950 5.193901 
10.15139 
1 1 1 17  7   18 o 113.0697 4.686313  2723.967       221.7487 2891.062       
308.4915 2545.327       318.9709 116.7335 6.294611 109.4059 6.944350 7.327629 
9.372626 
1 1 1 17  7   19 o 34.37896 8.201845  236.1036       146.9161 113.5569       
218.0495 337.9898       198.8209 29.73682 11.77850 39.02110 11.41701 -9.284279 
16.40369 
1 1 1 17  7   20 o 59.78207 6.654137  764.1826       166.1624 830.4389       
250.8993 712.4193       221.7666 62.03465 9.633545 57.52950 9.181773 4.505154 
13.30827 
1 1 1 17  7   21 o 87.85197 5.196788  1642.447       190.6443 1419.799       
260.4762 1899.321       279.7813 81.41088 7.620906 94.29305 7.067405 -12.88217 
10.39358 
1 1 1 17  7   22 o 70.22000 6.877047  1121.231       186.8685 730.7446       
264.0258 1513.177       264.5189 56.53320 11.52347 83.90680 7.508975 -27.37360 
13.75409 
1 1 1 17  7   23 o 26.55920 7.962686  31.82683       153.5128 3.239234       
233.4167 53.61734       203.7872 26.57503 11.46887 26.54338 11.04909 
0.3164482E-01  15.92537 
1 1 1 17  7   24 o 38.03352 7.660180  343.1867       134.7867 446.7021       
175.7689 195.4242       210.0012 44.12981 9.747696 31.93724 11.81930 12.19258 
15.32036 
1 1 1 17  7   25 o 52.59068 6.909564  656.1468       142.8511 748.8876       
183.9360 515.1884       226.7653 58.61822 7.474036 46.56313 11.62356 12.05509 
13.81913 
1 1 1 17  7   26 o 66.17786 6.869882  992.5825       189.7543 1114.482       
269.5645 872.8499       267.1580 70.50356 9.106945 61.85214 10.28808 8.651421 
13.73976 
1 1 1 17  7   27 o 53.96039 7.908943  736.3849       141.1753 625.5626       
318.0752 763.5723       157.5433 48.78547 14.48926 59.13531 6.345621 -10.34985 
15.81789 
1 1 1 17  7   28 o 45.21560 7.703953  325.1259       128.9689 967.8012       
298.8665 178.0649       142.9652 62.19693 11.87079 28.23428 9.822823 33.96265 
15.40791 
1 1 1 17  7   29 o 53.47830 7.950563  620.2208       144.4328 921.7504       
333.0319 550.3685       160.2917 57.85062 13.87069 49.10598 7.774952 8.744644 
15.90113 
1 1 1 17  7   30 f 25.47160 7.593828  94.75893       128.5390 39.28849       
256.2648 113.4062       148.5816 26.31106 11.65863 24.63215 9.733514 1.678909 
15.18766 
1 1 1 17  7   31 o 32.56765 7.790007  290.5146       130.6283 183.0972       
230.9239 341.0616       158.4089 29.02237 11.88609 36.11292 10.07263 -7.090553 
15.58001 
1 1 1 17  7   32 o 47.37605 7.390853  625.0637       135.9700 527.6981       
247.0843 667.3560       162.8444 41.53033 12.86020 53.22178 7.287937 -11.69145 
14.78171 
1 1 1 17  7   33 o 23.52705 7.204599  83.50151       127.9844 -8.500066      
242.0370 119.2105       150.7901 23.20678 10.69067 23.84733 9.660977 
-0.6405525     14.40920 
1 1 1 17  7   34 o 26.80243 6.733953  184.6785       137.5826 -716.4243      
343.5568 356.7932       150.1483 18.29042 9.246346 35.31445 9.792320 -17.02403 
13.46791 
1 1 1 17  7   35 o 21.88390 10.65946  -86.46597      315.0045 -86.46597      
315.0045 0.000000       0.000000 21.88390 10.65946 ?        ?        ? ? 
1 1 1 17  8   0  o 43.92030 5.637781  422.0339       100.1031 419.4371       
142.9850 424.5302       140.1906 43.76539 8.085875 44.07520 7.858556 
-0.3098106     11.27556 
1 1 1 17  8   1  o 99.12292 3.864179  2071.014       160.7248 2011.516       
222.9443 2135.400       231.9195 97.64442 5.438386 100.6014 5.491035 -2.957016 
7.728358 
1 1 1 17  8   2  o 54.93861 4.800445  636.7495       110.3602 567.8732       
152.3082 712.8829       160.1314 51.80540 7.002760 58.07182 6.567984 -6.266415 
9.600889 
1 1 1 17  8   3  o 271.1887 8.497719  15789.09       967.3811 16145.13       
1375.714 15440.84       1360.578 274.2473 11.94832 268.1301 12.08646 6.117279 
16.99544 
1 1 1 17  8   4  o 114.2414 4.655048  2733.169       219.7040 2894.904       
346.9477 2624.894       283.8741 116.9792 7.064421 111.5037 6.063979 5.475479 
9.310096 
1 1 1 17  8   5  o 164.0352 6.025395  5681.212       407.7821 5877.137       
643.5946 5549.805       527.0817 166.2282 9.222075 161.8421 7.757246 4.386169 
12.05079 
1 1 1 17  8   6  o 115.0539 4.438652  2788.243       213.5948 2881.219       
318.2273 2712.015       288.1454 116.7701 6.491230 113.3378 6.055614 3.432304 
8.877303 
1 1 1 17  8   7  o 129.2943 4.749640  3534.265       257.6930 3524.371       
358.5940 3544.830       370.5668 129.1212 6.614951 129.4674 6.817533 
-0.3461914     9.499281 
1 1 1 17  8   8  o 114.5799 4.805315  2799.933       228.1431 2942.399       
304.0526 2616.381       345.1218 118.0235 6.136222 111.1363 7.396689 6.887199 
9.610631 
1 1 1 17  8   9  o 104.5871 4.927183  2315.238       216.2525 2304.538       
301.0423 2326.646       310.8477 104.3495 6.871602 104.8247 7.063257 
-0.4751892     9.854365 
1 1 1 17  8   10 o 40.75262 7.112534  369.4745       121.0012 354.5570       
174.9699 383.1482       167.5163 39.95942 10.34942 41.54583 9.759207 -1.586414 
14.22507 
1 1 1 17  8   11 o 125.8603 5.317722  3363.002       280.6983 3169.825       
395.0034 3560.069       398.9608 122.1746 7.700891 129.5460 7.335457 -7.371399 
10.63544 
1 1 1 17  8   12 o 93.48692 4.409374  1848.078       172.9196 1811.924       
238.8359 1887.907       250.6846 92.53757 6.147557 94.43628 6.322805 -1.898705 
8.818748 
1 1 1 17  8   13 o 159.9911 6.083374  5462.855       408.5680 5565.812       
583.1603 5363.598       572.5895 161.4716 8.602266 158.5106 8.604113 2.960953 
12.16675 
1 1 1 17  8   14 o 238.1022 8.044377  12200.52       764.1293 12541.65       
1307.276 12023.48       941.7660 239.4859 13.00195 236.7186 9.476147 2.767303 
16.08875 
1 1 1 17  8   15 o 113.9762 5.146793  2709.023       242.9282 3105.844       
384.0609 2444.379       313.6420 120.7267 7.577361 107.2256 6.967173 13.50101 
10.29359 
1 1 1 17  8   16 o 72.64309 5.493123  1131.305       164.9545 1094.189       
254.2235 1158.293       216.7856 71.49773 8.469240 73.78845 6.997825 -2.290726 
10.98625 
1 1 1 17  8   17 o 103.8506 4.867557  2297.639       207.9523 2270.539       
327.4677 2315.953       269.1987 103.2002 7.558039 104.5010 6.135836 -1.300812 
9.735113 
1 1 1 17  8   18 o 28.27364 7.714742  88.77775       140.1835 -66.42460      
208.1052 217.7050       189.6733 23.59972 10.47548 32.94755 11.32843 -9.347832 
15.42948 
1 1 1 17  8   19 o 49.79348 7.704752  557.2733       156.5085 554.2806       
226.8855 559.9899       216.1756 49.61100 11.16328 49.97596 10.62234 
-0.3649597     15.40950 
1 1 1 17  8   20 o 145.3923 6.206360  4420.360       341.4760 4812.677       
652.5141 4272.394       400.7303 149.0601 10.42676 141.7245 6.734854 7.335587 
12.41272 
1 1 1 17  8   21 o 105.9237 4.531003  2384.085       200.9545 2636.011       
289.9780 2151.307       278.7402 111.3448 6.203206 100.5026 6.606071 10.84216 
9.062005 
1 1 1 17  8   22 o 94.50751 5.620091  1877.741       220.1246 2218.172       
346.8101 1648.070       284.8593 101.4563 8.142049 87.55871 7.749114 13.89761 
11.24018 
1 1 1 17  8   23 o 68.26172 5.819556  1009.824       166.7700 995.9137       
234.3724 1024.091       237.3526 67.78414 8.235679 68.73930 8.224506 
-0.9551620     11.63911 
1 1 1 17  8   24 o 83.10086 4.923182  1481.947       167.6894 1456.816       
214.3579 1521.581       269.1998 82.42601 6.194357 83.77571 7.653811 -1.349701 
9.846363 
1 1 1 17  8   25 o 114.4933 4.591295  2830.453       220.4262 2934.014       
308.4318 2722.341       315.1356 116.7288 6.293646 112.2578 6.686552 4.471016 
9.182590 
1 1 1 17  8   26 o 34.41257 9.331403  222.5063       192.2563 305.4059       
269.8270 137.0203       274.0041 37.19295 13.43875 31.63220 12.94992 5.560751 
18.66281 
1 1 1 17  8   27 o 25.65009 7.845308  25.40321       128.3768 97.51620       
281.9422 6.541913       144.1914 30.36001 12.83507 20.94018 9.025324 9.419838 
15.69062 
1 1 1 17  8   28 o 47.43499 7.919311  610.0712       144.5514 404.0608       
297.1632 673.9275       165.4445 39.79477 14.13033 55.07522 7.155123 -15.28045 
15.83862 
1 1 1 17  8   29 o 25.47446 7.667168  78.97038       127.9246 -32.18726      
284.4029 107.1640       143.2319 26.42523 11.96188 24.52368 9.594550 1.901548 
15.33434 
1 1 1 17  8   30 o 64.35654 5.835527  962.4147       144.4396 967.9758       
260.3989 959.9433       173.5928 63.16370 9.819572 65.54939 6.307892 -2.385685 
11.67105 
1 1 1 17  8   31 o 52.43980 6.951151  669.5604       139.3928 747.8174       
249.7152 634.1386       168.0036 52.74534 11.59129 52.13425 7.675674 0.6110954 
13.90230 
1 1 1 17  8   32 o 26.29446 7.614737  141.4780       128.9833 113.1511       
233.7386 153.8807       154.6639 26.59309 11.47672 25.99584 10.01108 0.5972519 
15.22947 
1 1 1 17  8   33 o 29.76927 7.140007  250.8324       125.9946 -16.22877      
235.4874 357.9455       149.1363 22.99768 10.57394 36.54086 9.597427 -13.54318 
14.28001 
1 1 1 17  8   34 o 45.63678 6.776232  596.6323       118.5289 478.5598       
212.2303 650.1553       142.8904 38.85077 11.89615 52.42279 6.492379 -13.57203 
13.55246 
1 1 1 17  8   35 o 22.88217 7.496048  61.30143       137.6559 168.8916       
321.0050 37.05814       152.3776 25.90881 12.07835 19.85553 8.881242 6.053282 
14.99210 
1 1 1 17  9   0  o 140.6317 4.929432  4187.787       285.3298 4181.227       
368.7792 4197.573       450.3779 140.6195 6.246573 140.6438 7.627419 
-0.2424622E-01 9.858864 
1 1 1 17  9   1  o 58.56254 4.397895  724.2595       108.0010 775.2551       
155.0482 676.1960       150.5251 60.57107 6.097090 56.55400 6.339671 4.017063 
8.795791 
1 1 1 17  9   2  o 150.4735 5.302055  4825.023       320.4537 4891.900       
400.4968 4706.015       534.2563 152.1461 6.269881 148.8010 8.551945 3.345123 
10.60411 
1 1 1 17  9   3  o 86.25446 4.223812  1572.532       152.7464 1663.158       
215.6776 1481.335       216.3561 88.76574 5.787362 83.74319 6.153763 5.022552 
8.447624 
1 1 1 17  9   4  f 72.74588 4.363517  1111.203       132.8517 1204.191       
197.5794 1034.468       179.4830 75.50297 6.233022 69.98880 6.108236 5.514168 
8.727034 
1 1 1 17  9   5  o 204.9186 7.383221  8983.420       632.8932 9160.975       
864.4387 8778.286       929.1533 207.2714 9.933810 202.5657 10.92553 4.705688 
14.76644 
1 1 1 17  9   6  o 55.59841 5.499943  664.8636       126.4545 566.5539       
185.5518 750.1213       172.7960 51.64753 8.557301 59.54929 6.911593 -7.901760 
10.99989 
1 1 1 17  9   7  o 143.6640 5.347481  4373.729       322.4895 4418.441       
453.8705 4328.138       458.2998 144.4192 7.485628 142.9089 7.638559 1.510254 
10.69496 
1 1 1 17  9   8  o 132.7781 5.147662  3724.814       264.0647 3710.375       
316.4546 3757.922       479.1703 132.5861 5.685053 132.9702 8.583348 
-0.3840790     10.29532 
1 1 1 17  9   9  o 158.8444 5.636776  5353.432       375.3281 5398.165       
547.1615 5313.677       515.8129 159.4255 8.174833 158.2634 7.763059 1.162109 
11.27355 
1 1 1 17  9   10 o 29.77994 6.974005  167.3817       112.8562 283.0249       
148.7932 10.73922       173.1720 35.80616 9.670335 23.75372 10.05145 12.05244 
13.94801 
1 1 1 17  9   11 o 25.43439 7.155136  5.985878       124.7941 191.4293       
189.8075 -135.2145      165.6249 31.87271 11.29550 18.99607 8.786104 12.87664 
14.31027 
1 1 1 17  9   12 o 140.9588 5.891121  4231.812       348.5757 4223.270       
488.3217 4240.685       497.7339 140.8314 8.259003 141.0863 8.402982 
-0.2548981     11.78224 
1 1 1 17  9   13 o 40.34534 7.670071  365.5627       133.6322 309.6285       
197.4147 412.8680       181.5495 37.68784 11.46009 43.00283 10.19737 -5.314999 
15.34014 
1 1 1 17  9   14 o 126.3037 4.996577  3414.606       262.7837 3661.597       
358.5028 3127.800       386.3185 131.3940 6.498874 121.2134 7.591296 10.18056 
9.993155 
1 1 1 17  9   15 o 167.3800 5.703315  5985.298       400.3105 6077.647       
555.5073 5885.535       577.3746 168.8019 7.838510 165.9581 8.286674 2.843796 
11.40663 
1 1 1 17  9   16 o 116.3358 5.090783  2880.626       248.4675 3030.523       
354.3830 2735.695       348.4641 119.3401 7.073061 113.3315 7.323665 6.008667 
10.18157 
1 1 1 17  9   17 o 65.54607 5.926995  921.7570       162.3974 887.3767       
238.2537 951.5908       221.9421 64.33479 8.820939 66.75734 7.918844 -2.422554 
11.85399 
1 1 1 17  9   18 o 130.0764 5.170681  3652.442       270.8742 3417.718       
443.4706 3792.129       342.1076 126.4145 8.355818 133.7384 6.092954 -7.323860 
10.34136 
1 1 1 17  9   19 f 74.48002 5.275080  1180.011       164.4913 1307.583       
237.7637 1062.900       227.8072 78.36847 7.226455 70.59157 7.686625 7.776901 
10.55016 
1 1 1 17  9   20 o 29.47086 7.663857  71.35289       150.1893 -213.2679      
221.7697 312.4853       204.1252 21.16311 9.917335 37.77861 11.68697 -16.61551 
15.32771 
1 1 1 17  9   21 o 103.7783 4.996364  2306.882       214.8142 2361.957       
283.8386 2233.044       328.6502 105.3785 6.415648 102.1781 7.661206 3.200394 
9.992728 
1 1 1 17  9   22 o 78.10831 5.931622  1298.267       193.0414 1457.809       
296.1112 1180.344       254.5761 82.17922 8.582500 74.03739 8.190069 8.141830 
11.86324 
1 1 1 17  9   23 o 24.35998 7.386630  8.169534       133.9012 37.28281       
172.3330 -36.18274      212.7065 24.29198 10.13937 24.42798 10.74441 
-0.1360016     14.77326 
1 1 1 17  9   24 o 62.40956 5.635232  880.0466       136.3671 950.1161       
168.2293 745.7860       232.8689 66.62762 6.014069 58.19150 9.531755 8.436119 
11.27046 
1 1 1 17  9   25 o 26.09073 7.329004  97.32690       117.3376 129.0693       
142.3472 30.03516       207.2572 26.41108 9.739375 25.77038 10.95453 0.6406994 
14.65801 
1 1 1 17  9   26 o 50.48384 7.777946  568.1927       134.9137 636.0049       
302.0297 551.2893       150.7939 50.65666 13.82098 50.31103 7.139072 0.3456306 
15.55589 
1 1 1 17  9   27 o 45.83523 7.911905  537.0776       137.3850 396.4054       
293.6144 576.5095       155.4523 40.44501 14.07642 51.22544 7.228238 -10.78042 
15.82381 
1 1 1 17  9   28 f 79.06271 5.633554  1422.464       155.5035 1358.965       
321.0082 1441.934       177.7519 76.42504 10.00464 81.70039 5.182166 -5.275352 
11.26711 
1 1 1 17  9   29 o 53.58556 7.138739  688.7827       139.5425 694.5238       
266.8635 686.6222       163.7064 51.72967 12.42500 55.44145 7.033188 -3.711777 
14.27748 
1 1 1 17  9   30 o 59.50944 5.133309  811.3395       118.8456 779.6526       
208.1863 826.6575       144.7491 57.74493 8.587354 61.27394 5.626794 -3.529007 
10.26662 
1 1 1 17  9   31 o 22.34291 7.099096  -11.29887      120.9847 59.83547       
239.7913 -35.59077      140.1279 26.05594 11.43449 18.62987 8.416713 7.426079 
14.19819 
1 1 1 17  9   32 o 36.64109 7.467431  396.3002       132.7834 182.4998       
239.2798 491.4360       159.6150 28.93282 12.00371 44.34937 8.886001 -15.41655 
14.93486 
1 1 1 17  9   33 o 25.97165 7.541098  71.75056       115.5434 335.4054       
241.4677 -6.544509      131.5856 33.37376 12.60550 18.56953 8.280941 14.80423 
15.08220 
1 1 1 17  9   34 o 24.32096 7.071561  128.6296       114.2025 94.05263       
197.3276 146.0439       140.0385 24.05186 10.46452 24.59006 9.514295 
-0.5382023     14.14312 
1 1 1 17  9   35 o 19.98358 6.564619  -6.638464      124.4326 -112.6488      
249.0356 28.63394       143.6497 20.49446 9.860437 19.47270 8.668834 1.021761 
13.12924 
1 1 1 17  9   36 o 20.23672 6.499703  46.49879       114.4219 10.01565       
213.2634 61.24616       135.5899 20.74945 9.723810 19.72398 8.627404 1.025471 
12.99941 
1 1 1 17  10  0  o 24.43182 6.461382  84.20708       91.59254 152.0961       
135.5922 27.23113       124.2169 27.87683 9.578853 20.98682 8.674296 6.890017 
12.92276 
1 1 1 17  10  1  f 131.9167 4.468809  3681.624       247.3356 3520.614       
349.0950 3843.914       350.4798 128.9999 6.445777 134.8335 6.191362 -5.833572 
8.937617 
1 1 1 17  10  2  o 24.97458 6.603343  92.38518       96.50329 26.42596       
139.3745 153.1296       133.7516 22.06024 9.157365 27.88891 9.516261 -5.828671 
13.20669 
1 1 1 17  10  3  o 134.0211 4.867658  3789.148       270.0431 3874.924       
420.5063 3728.947       352.2840 135.2213 7.407105 132.8210 6.317529 2.400314 
9.735316 
1 1 1 17  10  4  o 93.24276 4.392622  1825.839       171.0773 1944.184       
258.0390 1733.020       228.5212 95.90265 6.408787 90.58287 6.008989 5.319778 
8.785243 
1 1 1 17  10  5  o 98.85175 4.418683  2074.601       182.1925 2170.537       
247.6691 1961.458       268.9645 101.3972 5.817906 96.30625 6.652143 5.090988 
8.837366 
1 1 1 17  10  6  o 166.1650 4.825115  5778.984       332.6115 6234.166       
519.0006 5461.738       433.2853 171.5840 7.204638 160.7461 6.420290 10.83794 
9.650229 
1 1 1 17  10  7  o 186.6861 7.081694  7241.948       520.2721 6891.873       
627.2541 8013.828       931.4023 180.1421 8.293721 193.2301 11.48110 -13.08803 
14.16339 
1 1 1 17  10  8  o 165.0943 5.976211  5780.317       377.2455 5762.845       
448.8087 5822.379       696.3640 165.0884 6.475389 165.1003 10.04638 
-0.1190186E-01 11.95242 
1 1 1 17  10  9  o 113.9129 4.788422  2736.040       226.8788 2820.923       
347.4930 2672.971       299.5327 115.3901 7.172962 112.4356 6.345435 2.954491 
9.576843 
1 1 1 17  10  10 o 108.6822 4.483111  2474.221       203.1476 2305.154       
268.8190 2699.332       310.1899 104.4218 6.131827 112.9427 6.541700 -8.520912 
8.966223 
1 1 1 17  10  11 o 153.7034 5.688721  5054.412       363.4231 4769.763       
544.7802 5282.666       487.8373 149.6212 8.672601 157.7857 7.364249 -8.164551 
11.37744 
1 1 1 17  10  12 o 108.0180 4.598188  2452.180       205.1900 2576.312       
323.5382 2368.658       265.3902 110.2118 6.992275 105.8241 5.973394 4.387650 
9.196377 
1 1 1 17  10  13 o 84.43827 5.417392  1506.479       191.3853 1676.454       
283.9525 1364.983       259.0744 88.77956 7.618226 80.09698 7.704231 8.682571 
10.83478 
1 1 1 17  10  14 o 36.43466 7.309828  304.3513       118.2728 204.4102       
198.5851 359.2886       147.2340 32.66365 11.55595 40.20567 8.955129 -7.542027 
14.61966 
1 1 1 17  10  15 o 97.88390 4.827471  1950.255       192.1033 2381.080       
324.6046 1718.032       238.3180 105.7672 7.310123 90.00060 6.307139 15.76660 
9.654942 
1 1 1 17  10  16 o 110.4378 5.104734  2563.169       230.1891 2738.678       
376.9261 2458.779       290.6937 113.2545 7.927234 107.6211 6.433677 5.633430 
10.20947 
1 1 1 17  10  17 o 107.9127 4.680685  2463.119       210.3887 2391.521       
278.7667 2557.871       320.6872 106.1676 6.254173 109.6579 6.965670 -3.490280 
9.361370 
1 1 1 17  10  18 o 96.49315 4.984532  1950.725       196.8455 2112.780       
321.1489 1853.202       249.1311 99.53416 7.685202 93.45213 6.349795 6.082031 
9.969064 
1 1 1 17  10  19 o 209.0331 7.390428  9435.683       647.9120 10049.83       
930.3649 8857.355       902.8275 215.7340 10.27202 202.3321 10.62823 13.40187 
14.78086 
1 1 1 17  10  20 o 111.6180 5.299091  2640.306       245.3074 2762.281       
381.0745 2553.997       320.5559 113.6870 7.983996 109.5490 6.969739 4.137993 
10.59818 
1 1 1 17  10  21 o 130.6204 5.191805  3654.658       283.3961 4028.315       
399.1155 3274.692       402.4707 137.5008 6.913763 123.7400 7.747208 13.76078 
10.38361 
1 1 1 17  10  22 o 73.40483 5.842660  1113.125       175.8688 950.0620       
221.5229 1391.118       289.2400 66.49831 7.934674 80.31136 8.578324 -13.81305 
11.68532 
1 1 1 17  10  23 f 127.0089 4.710680  3453.122       251.1451 3461.196       
352.2437 3444.774       358.1763 127.1837 6.596789 126.8339 6.726395 0.3498001 
9.421360 
1 1 1 17  10  24 o 62.38413 5.800028  836.4324       150.0643 788.6804       
195.3468 905.1835       234.3959 60.36042 7.708591 64.40784 8.668270 -4.047417 
11.60006 
1 1 1 17  10  25 o 37.54851 7.663415  327.6463       129.8336 253.6181       
190.8147 391.4650       177.1687 33.99085 11.36639 41.10617 10.28187 -7.115322 
15.32683 
1 1 1 17  10  26 o 22.91391 6.962759  6.295929       121.8192 -142.6179      
216.2119 75.55408       147.4509 21.76131 10.05497 24.06651 9.634194 -2.305199 
13.92552 
1 1 1 17  10  27 o 32.73262 8.264207  62.28778       131.7911 539.5114       
297.7183 -54.01881      146.9761 46.21977 14.07725 19.24547 8.661378 26.97429 
16.52841 
1 1 1 17  10  28 o 61.51017 7.020301  842.2068       143.8489 962.0842       
315.5149 810.7504       161.6240 62.12006 12.53712 60.90027 6.321318 1.219791 
14.04060 
1 1 1 17  10  29 o 29.74642 7.738245  192.2119       119.5647 168.1425       
229.6270 201.1649       140.0473 30.07152 12.02912 29.42133 9.737654 0.6501923 
15.47649 
1 1 1 17  10  30 o 46.88073 7.310270  536.0286       132.2506 560.0020       
242.8375 525.9201       157.6866 45.83918 12.34235 47.92227 7.837518 -2.083088 
14.62054 
1 1 1 17  10  31 o 25.02102 7.043101  96.71375       125.2192 -172.1163      
232.3579 206.7418       148.6518 20.90603 9.892640 29.13600 10.02780 -8.229977 
14.08620 
1 1 1 17  10  32 o 56.46295 6.783414  753.9336       139.1230 906.5971       
272.3294 700.0212       161.8345 57.84669 11.62239 55.07922 6.998491 2.767475 
13.56683 
1 1 1 17  10  33 o 35.10058 7.897818  341.7649       122.5900 351.6187       
246.7987 338.5373       141.2473 34.17499 12.77989 36.02616 9.283124 -1.851170 
15.79564 
1 1 1 17  10  34 o 22.68791 7.143783  5.425759       115.9845 203.8254       
241.5627 -54.01623      132.2227 28.33488 11.92482 17.04093 7.869769 11.29395 
14.28757 
1 1 1 17  10  35 o 37.50965 7.701362  451.0632       125.4096 396.6762       
261.1007 467.3728       142.9824 32.85007 12.92764 42.16923 8.373769 -9.319160 
15.40272 
1 1 1 17  10  36 o 30.64091 6.760706  338.0636       118.5982 43.93055       
257.5430 417.2239       133.6077 22.48416 10.56540 38.79765 8.438059 -16.31349 
13.52141 
1 1 1 17  11  0  o 39.46275 7.368018  355.9188       131.6296 179.6366       
199.2327 492.4719       175.3507 31.67723 11.53765 47.24828 9.166976 -15.57105 
14.73604 
1 1 1 17  11  1  o 225.2208 6.828812  10856.05       645.1565 10602.88       
924.3660 11096.52       900.8660 222.5559 9.892952 227.8856 9.415955 -5.329681 
13.65762 
1 1 1 17  11  2  o 123.2471 4.388530  3229.061       225.8229 2907.584       
324.2983 3531.682       314.6440 117.2028 6.590643 129.2914 5.796568 -12.08864 
8.777060 
1 1 1 17  11  3  o 152.3258 5.529697  4933.372       352.9839 5088.403       
489.7278 4765.745       509.2325 154.8820 7.531386 149.7695 8.098669 5.112427 
11.05939 
1 1 1 17  11  4  o 188.0786 5.527733  7507.894       436.3298 7483.161       
624.7471 7531.446       609.6566 187.7475 7.925944 188.4097 7.707317 
-0.6621094     11.05547 
1 1 1 17  11  5  o 100.6807 4.024584  2139.898       169.9191 2136.101       
234.6314 2144.085       246.4046 100.6004 5.555300 100.7609 5.824754 
-0.1605453     8.049169 
1 1 1 17  11  6  o 74.05960 4.139656  1157.258       128.4805 1063.501       
178.8695 1257.190       184.6668 70.95206 6.004715 77.16715 5.700035 -6.215096 
8.279312 
1 1 1 17  11  7  o 156.8082 5.328145  5048.193       309.4616 4871.430       
358.1273 5569.237       614.8631 151.9107 5.615264 161.7058 9.056784 -9.795090 
10.65629 
1 1 1 17  11  8  o 177.4149 6.883928  6584.289       469.8898 6386.915       
558.1214 7064.753       870.7905 173.5110 7.661656 181.3189 11.43910 -7.807877 
13.76786 
1 1 1 17  11  9  o 86.60983 4.257672  1584.180       154.6100 1605.930       
225.1882 1564.785       212.6531 87.15886 6.153967 86.06081 5.885555 1.098053 
8.515344 
1 1 1 17  11  10 o 68.79944 4.951956  1008.354       142.1923 938.5798       
207.9284 1069.649       194.8852 66.50954 7.446479 71.08933 6.529734 -4.579796 
9.903912 
1 1 1 17  11  11 o 170.3590 6.087838  6118.773       401.1348 6355.588       
731.0811 6016.770       479.8104 172.2092 10.11184 168.5088 6.782160 3.700348 
12.17568 
1 1 1 17  11  12 o 113.1707 5.044735  2708.062       228.6570 2752.406       
387.6280 2684.396       283.1717 113.6956 8.120681 112.6457 5.987649 1.049934 
10.08947 
1 1 1 17  11  13 o 59.17937 5.861602  739.7267       144.9293 838.5811       
217.2796 660.4932       194.5251 62.71118 8.252680 55.64756 8.326272 7.063614 
11.72320 
1 1 1 17  11  14 f 120.8945 5.051489  3120.049       254.6545 2974.794       
377.5038 3241.341       344.9638 118.2005 7.607170 123.5884 6.648395 -5.387947 
10.10298 
1 1 1 17  11  15 o 112.8228 5.292522  2680.752       246.8415 2882.018       
389.9312 2546.162       318.8671 116.2019 7.992744 109.4438 6.939683 6.758102 
10.58504 
1 1 1 17  11  16 o 97.33250 4.390379  2014.709       178.7707 2083.163       
245.4025 1937.305       260.9535 99.14853 5.895405 95.51648 6.507375 3.632050 
8.780759 
1 1 1 17  11  17 o 171.0488 6.427565  6311.532       446.4884 6155.214       
724.6921 6407.172       566.8529 168.8302 10.22408 173.2674 7.792461 -4.437180 
12.85513 
1 1 1 17  11  18 o 63.96381 5.955747  875.2793       159.8324 875.2549       
222.0901 875.3055       230.2025 63.98481 8.267483 63.94281 8.575105 
0.4199982E-01  11.91149 
1 1 1 17  11  19 o 55.55632 6.503962  593.8878       139.6364 1072.651       
244.9619 363.4372       169.9523 70.83434 8.237127 40.27830 10.06756 30.55603 
13.00792 
1 1 1 17  11  20 o 85.10498 4.722985  1540.928       168.5076 1636.731       
238.4316 1445.327       238.1801 87.78289 6.469565 82.42707 6.882664 5.355820 
9.445970 
1 1 1 17  11  21 o 58.23835 6.856374  757.3922       159.6817 565.7047       
226.9648 945.2739       224.7004 50.03759 11.09711 66.43911 8.055659 -16.40152 
13.71275 
1 1 1 17  11  22 f 35.35300 8.048165  250.0643       135.5432 172.5074       
173.5116 371.4925       217.1090 30.10895 10.78670 40.59706 11.94734 -10.48812 
16.09633 
1 1 1 17  11  23 o 33.50787 7.579848  154.2354       136.9365 -37.79700      
173.9372 467.2900       222.0829 21.98358 9.690328 45.03217 11.65821 -23.04859 
15.15970 
1 1 1 17  11  24 o 50.07648 6.336489  556.8237       129.9438 614.7358       
185.0473 500.4853       182.5156 53.18646 8.287104 46.96649 9.587925 6.219971 
12.67298 
1 1 1 17  11  25 o 68.71455 5.164991  977.1777       133.7299 1127.706       
260.4194 923.2672       155.8481 71.72678 8.647947 65.70231 5.649914 6.024475 
10.32998 
1 1 1 17  11  26 f 36.63493 7.736828  314.5960       125.5201 275.4289       
216.4887 334.4304       154.0580 35.27214 12.10517 37.99771 9.638406 -2.725574 
15.47366 
1 1 1 17  11  27 o 30.05812 8.340773  146.2583       128.5263 181.8094       
294.4498 137.8905       142.8537 33.47982 13.52615 26.63643 9.763058 6.843384 
16.68155 
1 1 1 17  11  28 o 62.92054 5.940133  873.4705       137.9854 923.5235       
270.3080 855.8309       160.4682 63.13953 10.19714 62.70156 6.095814 0.4379730 
11.88027 
1 1 1 17  11  29 o 50.04234 6.320747  605.1932       121.6852 510.9607       
202.4596 658.4853       152.2543 45.50533 10.75444 54.57935 6.644498 -9.074017 
12.64149 
1 1 1 17  11  30 o 56.66483 6.479069  797.4284       128.6970 679.2042       
243.8614 843.0668       151.5149 51.44362 11.57179 61.88603 5.831546 -10.44241 
12.95814 
1 1 1 17  11  31 o 26.91261 7.615240  141.1680       124.0686 102.0804       
233.8325 156.4838       146.3712 27.22169 11.60546 26.60353 9.863104 0.6181583 
15.23048 
1 1 1 17  11  32 o 24.68051 7.375277  83.50987       115.6988 130.8549       
235.6259 68.46785       132.8125 27.57427 11.69923 21.78675 8.983704 5.787521 
14.75055 
1 1 1 17  11  33 o 25.72886 7.567062  106.0891       118.2464 219.3866       
240.4584 69.95264       135.8009 29.74542 12.14671 21.71230 9.027696 8.033125 
15.13412 
1 1 1 17  11  34 o 17.61615 6.048455  -147.5960      114.8528 -174.3783      
239.4820 -139.5959      130.8874 20.25608 9.727118 14.97622 7.191553 5.279860 
12.09691 
1 1 1 17  11  35 o 21.03839 6.813120  14.47158       118.8819 8.708568       
247.4738 16.20045       135.5459 23.04202 10.68895 19.03477 8.451084 4.007250 
13.62624 
1 1 1 17  11  36 o 29.68661 7.675569  276.7704       112.0209 343.1780       
256.8746 261.1755       124.4812 29.54527 12.35859 29.82795 9.106188 
-0.2826767     15.35114 
1 1 1 17  12  0  o 107.8435 5.795504  2438.435       246.8612 2600.272       
435.3296 2361.727       299.7083 110.1745 9.411483 105.5124 6.765757 4.662140 
11.59101 
1 1 1 17  12  1  o 194.2265 13.09466  8215.561       1067.780 8215.561       
1067.780 0.000000       0.000000 194.2265 13.09466 ?        ?        ? ? 
1 1 1 17  12  2  o 121.4358 6.077519  3092.420       294.1798 3304.159       
509.4827 2986.519       360.3136 124.2366 9.767896 118.6351 7.234168 5.601509 
12.15504 
1 1 1 17  12  3  o 31.18223 7.188267  201.3775       108.4581 224.8075       
151.4348 176.7018       155.4083 32.43340 10.07285 29.93106 10.25779 2.502344 
14.37653 
1 1 1 17  12  4  o 95.47108 4.311285  1927.070       172.6925 1927.330       
239.9478 1926.791       248.7373 95.49011 5.985210 95.45204 6.206928 
0.3807068E-01  8.622569 
1 1 1 17  12  5  o 67.23021 4.438245  954.0506       125.0684 880.7201       
173.1172 1034.110       180.8852 64.52399 6.390577 69.93642 6.160568 -5.412430 
8.876490 
1 1 1 17  12  6  o 116.7594 4.638540  2875.611       223.8804 2832.951       
291.1598 2937.318       350.1757 115.7811 5.989832 117.7376 7.084216 -1.956497 
9.277080 
1 1 1 17  12  7  o 80.32368 4.740951  1325.045       152.8726 1234.998       
187.5121 1503.522       263.9904 76.45712 5.841608 84.19025 7.468741 -7.733131 
9.481902 
1 1 1 17  12  8  o 85.57590 4.341187  1550.664       155.6832 1499.617       
224.7145 1597.781       215.8891 84.19749 6.357010 86.95431 5.913717 -2.756813 
8.682375 
1 1 1 17  12  9  o 33.48550 7.491057  238.2701       119.2016 191.7729       
177.4869 276.4761       160.8861 31.45442 10.94456 35.51658 10.23134 -4.062162 
14.98211 
1 1 1 17  12  10 o 259.1969 8.201311  14363.14       871.5338 15064.38       
1404.839 13924.39       1111.223 263.6151 12.69338 254.7786 10.38865 8.836517 
16.40262 
1 1 1 17  12  11 o 49.92019 6.503332  553.7783       131.2868 431.0754       
190.8082 664.0943       180.9211 43.94600 10.47533 55.89438 7.709784 -11.94838 
13.00666 
1 1 1 17  12  12 o 101.4048 4.612375  2165.850       195.7155 1953.902       
265.8540 2416.625       289.1823 96.01094 6.595437 106.7987 6.449513 -10.78771 
9.224750 
1 1 1 17  12  13 o 112.1475 4.620593  2646.551       210.5033 2747.158       
347.1551 2588.050       264.7224 113.6856 7.273429 110.6094 5.700591 3.076195 
9.241185 
1 1 1 17  12  14 o 110.2992 5.139432  2560.318       236.4951 2835.750       
360.0209 2351.254       313.6606 115.4295 7.429025 105.1689 7.103848 10.26062 
10.27886 
1 1 1 17  12  15 o 38.05780 7.343474  313.7235       137.2288 75.71994       
200.2345 524.5220       188.4434 27.50532 11.13695 48.61027 9.574697 -21.10494 
14.68695 
1 1 1 17  12  16 f 139.7458 5.660359  4151.856       331.2996 4481.767       
489.1461 3872.246       450.3156 144.8389 8.044044 134.6528 7.965676 10.18610 
11.32072 
1 1 1 17  12  17 o 77.15743 5.128109  1258.075       165.1445 1354.508       
250.4277 1183.868       219.6805 79.71845 7.482462 74.59641 7.014468 5.122040 
10.25622 
1 1 1 17  12  18 o 70.53589 5.050101  1024.369       143.4575 1179.481       
246.4594 944.8855       176.4250 74.33633 7.897058 66.73546 6.296868 7.600868 
10.10020 
1 1 1 17  12  19 o 176.7351 5.545152  6626.351       410.1866 7330.584       
606.7142 6033.456       556.6914 185.3491 7.796770 168.1211 7.887028 17.22803 
11.09030 
1 1 1 17  12  20 o 44.94698 8.149981  452.1299       154.4999 516.0630       
229.6755 399.2884       208.8044 47.76288 11.56125 42.13108 11.49026 5.631802 
16.29996 
1 1 1 17  12  21 o 76.52760 4.856451  1249.937       155.4382 1281.618       
212.4556 1213.445       228.0137 77.62785 6.518860 75.42737 7.200341 2.200478 
9.712901 
1 1 1 17  12  22 o 125.9796 4.351742  3374.948       230.0687 3243.747       
321.0872 3513.385       329.8212 123.4537 6.194981 128.5054 6.113335 -5.051704 
8.703485 
1 1 1 17  12  23 o 28.24141 7.879840  110.1232       135.7062 102.7931       
176.5767 120.6997       212.1065 27.06164 10.63707 29.42119 11.62843 -2.359550 
15.75968 
1 1 1 17  12  24 o 41.25497 8.134091  391.8639       151.5223 519.5317       
212.5693 259.9897       216.0427 47.48015 10.88974 35.02978 12.08583 12.45037 
16.26818 
1 1 1 17  12  25 o 120.8369 4.643974  3103.384       220.5718 3253.886       
390.7383 3032.995       267.2195 122.4580 7.600109 119.2158 5.338944 3.242233 
9.287949 
1 1 1 17  12  26 o 51.71975 6.304810  534.6304       127.0300 836.7511       
230.1478 402.2650       152.3365 61.50367 8.913061 41.93582 8.919633 19.56785 
12.60962 
1 1 1 17  12  27 o 60.22974 7.355794  898.2753       146.9391 728.5944       
303.9041 950.0454       167.8649 54.14783 13.41918 66.31165 6.029637 -12.16381 
14.71159 
1 1 1 17  12  28 o 75.81754 4.329185  1251.035       129.2794 1248.663       
225.0502 1252.203       157.9388 75.29506 7.119245 76.34002 4.927851 -1.044960 
8.658369 
1 1 1 17  12  29 o 48.01066 7.129672  530.6831       128.8673 599.0311       
245.1807 504.5943       151.4783 48.57468 12.06241 47.44665 7.604417 1.128029 
14.25934 
1 1 1 17  12  30 o 35.08776 8.011917  265.9304       124.1706 447.9812       
237.1475 197.1681       145.7463 41.10044 12.57310 29.07509 9.933806 12.02535 
16.02383 
1 1 1 17  12  31 o 21.71900 6.607881  36.25958       101.7516 20.76391       
187.3710 42.74053       121.1760 23.09818 10.12227 20.33983 8.496825 2.758348 
13.21576 
1 1 1 17  12  32 o 40.83821 7.452895  309.9258       120.1421 805.5518       
255.0673 168.6142       136.1967 54.93393 11.43707 26.74249 9.559084 28.19144 
14.90579 
1 1 1 17  12  33 o 45.55629 6.658467  526.9750       116.8151 527.1964       
207.9756 526.8730       141.1907 43.56901 11.28300 47.54358 7.073516 -3.974564 
13.31693 
1 1 1 17  12  34 o 23.05165 7.056392  76.75075       112.1639 22.17850       
245.3306 91.17235       126.1166 24.12777 10.98261 21.97552 8.863013 2.152252 
14.11278 
1 1 1 17  12  35 o 30.19960 7.162031  272.5016       111.3127 174.0721       
206.0194 313.0824       132.2835 26.44932 11.06598 33.94988 9.095210 -7.500565 
14.32406 
1 1 1 17  12  36 o 20.61740 6.237743  56.80080       109.7649 -387.6301      
259.3539 153.7770       121.1499 17.43674 8.698108 23.79807 8.943191 -6.361328 
12.47549 
1 1 1 17  13  0  o 186.5062 7.796904  7521.498       609.6893 7015.878       
853.9860 8047.125       870.7193 179.9758 11.30206 193.0366 10.74384 -13.06079 
15.59381 
1 1 1 17  13  1  o 90.91948 5.418949  1737.864       200.3237 1844.974       
331.1891 1676.068       251.5585 92.96053 8.485911 88.87844 6.741612 4.082085 
10.83790 
1 1 1 17  13  2  o 77.52417 6.791028  1274.724       221.0302 0.000000       
0.000000 1274.724       221.0302 ?        ?        77.52417 6.791028 ? ? 
1 1 1 17  13  3  o 104.9315 6.153261  2326.642       268.6942 2189.493       
353.3127 2514.768       413.7971 101.3755 8.301323 108.4876 9.085072 -7.112099 
12.30652 
1 1 1 17  13  4  o 60.48859 6.100112  770.7084       141.7976 757.1197       
168.7419 803.3622       261.5775 59.77412 6.724048 61.20305 10.18001 -1.428928 
12.20022 
1 1 1 17  13  5  o 61.10307 4.806039  789.6216       123.1623 757.1878       
169.5449 825.8596       179.2124 59.78061 6.755314 62.42553 6.837966 -2.644917 
9.612079 
1 1 1 17  13  6  o 25.77559 6.965387  84.29258       113.1090 174.0364       
143.5181 -62.83474      183.7601 29.37545 9.857578 22.17572 9.843507 7.199724 
13.93077 
1 1 1 17  13  7  o 42.60625 7.004641  403.5111       123.0335 381.3216       
172.0169 426.7517       176.0443 41.39110 9.996881 43.82141 9.814396 -2.430313 
14.00928 
1 1 1 17  13  8  o 111.0854 4.040844  2603.533       187.1217 2641.192       
282.8058 2574.206       249.5611 111.7576 6.027435 110.4132 5.383654 1.344391 
8.081689 
1 1 1 17  13  9  o 71.01353 4.780527  1065.394       141.6769 1097.413       
213.6194 1040.250       189.3003 71.93162 7.073625 70.09545 6.432541 1.836166 
9.561054 
1 1 1 17  13  10 o 66.09687 5.186481  933.7573       141.1987 716.3798       
196.5563 1165.549       202.9684 58.01543 8.069831 74.17831 6.517374 -16.16288 
10.37296 
1 1 1 17  13  11 o 61.77263 5.484910  782.5461       138.0131 1112.871       
216.8192 557.5374       178.9479 72.40261 7.132873 51.14264 8.334211 21.25997 
10.96982 
1 1 1 17  13  12 o 62.32137 5.368093  837.7509       138.4084 705.7820       
201.3975 955.8645       190.5323 57.51976 8.339845 67.12297 6.761117 -9.603210 
10.73619 
1 1 1 17  13  13 o 88.74274 4.293015  1667.536       159.8644 1684.979       
230.2830 1651.309       222.1036 89.18010 6.150564 88.30537 5.990867 0.8747330 
8.586030 
1 1 1 17  13  14 o 27.48792 7.643804  95.20333       128.8785 128.5141       
194.9996 69.36740       171.7329 29.25359 11.24608 25.72224 10.35551 3.531355 
15.28761 
1 1 1 17  13  15 o 102.7883 4.805072  2256.765       206.2725 2063.458       
297.9432 2434.710       285.8588 98.46072 7.207613 107.1160 6.356505 -8.655243 
9.610144 
1 1 1 17  13  16 o 43.10333 7.747571  415.2130       140.7792 475.3721       
206.1969 362.6860       192.6741 45.96231 10.84735 40.24436 11.06501 5.717945 
15.49514 
1 1 1 17  13  17 o 72.98352 5.447310  1143.682       165.7297 1015.572       
238.4520 1263.395       230.5044 68.91979 8.240966 77.04725 7.125957 -8.127457 
10.89462 
1 1 1 17  13  18 o 168.0414 6.040166  6007.828       405.2380 6162.482       
692.5894 5927.320       499.7035 169.1852 9.750671 166.8976 7.131539 2.287598 
12.08033 
1 1 1 17  13  19 f 140.3004 6.102950  4221.544       356.6663 4167.697       
536.9688 4264.058       477.1229 139.3154 9.180595 141.2853 8.043673 -1.969833 
12.20590 
1 1 1 17  13  20 o 95.98529 4.609346  1969.160       184.3569 2081.556       
250.6794 1836.762       272.0725 99.06953 6.026978 92.90105 6.975658 6.168480 
9.218692 
1 1 1 17  13  21 o 18.57424 6.262867  -241.0056      130.2067 -283.2990      
166.4617 -174.3402      208.9912 16.05918 7.802980 21.08931 9.798343 -5.030127 
12.52573 
1 1 1 17  13  22 o 74.45563 4.940401  1110.821       142.9338 1003.105       
168.9887 1381.598       267.9316 68.70043 5.858944 80.21082 7.956318 -11.51038 
9.880801 
1 1 1 17  13  23 o 77.68036 5.072493  1296.743       163.9940 1311.641       
218.8516 1277.664       247.6552 78.30642 6.656921 77.05430 7.655465 1.252121 
10.14499 
1 1 1 17  13  24 o 75.93989 5.141958  1232.059       141.6081 1264.507       
284.7679 1221.399       163.2196 76.10261 8.912769 75.77717 5.130445 0.3254395 
10.28392 
1 1 1 17  13  25 o 131.2935 5.109671  3819.044       270.4996 3348.847       
431.7071 4122.966       347.0809 123.8595 8.301968 138.7275 5.959218 -14.86800 
10.21934 
1 1 1 17  13  26 o 67.03340 5.323112  966.0468       137.7836 1012.834       
251.7262 946.0333       164.6355 67.70640 8.855639 66.36041 5.909294 1.345985 
10.64622 
1 1 1 17  13  27 o 22.72029 6.676940  34.13774       109.4378 -115.5238      
190.9594 107.3319       133.5439 20.69756 9.518700 24.74303 9.365920 -4.045475 
13.35388 
1 1 1 17  13  28 o 61.66785 5.728381  782.1808       139.1355 1050.135       
256.0703 669.9352       165.7348 68.17439 8.946621 55.16130 7.156491 13.01308 
11.45676 
1 1 1 17  13  29 o 44.35521 7.098484  543.7037       130.7633 250.6874       
234.7604 675.5072       157.4499 33.42659 12.47139 55.28382 6.783681 -21.85722 
14.19697 
1 1 1 17  13  30 o 16.92233 5.614712  -139.7475      105.4986 -391.8995      
191.5528 -29.96035      126.3959 15.69115 7.772173 18.15350 8.105140 -2.462347 
11.22942 
1 1 1 17  13  31 o 37.33914 7.820998  278.6881       117.9825 587.9953       
246.8181 187.0801       134.3225 46.58006 12.39864 28.09822 9.536549 18.48183 
15.64200 
1 1 1 17  13  32 f 33.06235 7.165235  200.4958       100.9465 500.2576       
208.8246 109.0878       115.3150 43.05866 11.37863 23.06604 8.711432 19.99262 
14.33047 
1 1 1 17  13  33 o 36.44955 8.109482  316.8826       124.2312 535.7398       
249.6388 244.8419       143.2256 42.24441 12.89533 30.65469 9.836931 11.58973 
16.21896 
1 1 1 17  13  34 o 35.14354 7.270907  371.9806       115.5422 220.9540       
248.9277 413.4535       130.4454 29.39417 12.22219 40.89291 7.879234 -11.49874 
14.54181 
1 1 1 17  13  35 o 17.78168 6.081251  -106.5440      107.1639 -147.5369      
246.2975 -96.97139      119.0204 20.61929 9.892559 14.94406 7.075572 5.675236 
12.16250 
1 1 1 17  13  36 o 17.62908 5.954986  -64.50127      107.8072 -246.5107      
248.7964 -22.42688      119.6206 18.62645 9.169528 16.63171 7.600474 1.994745 
11.90997 
1 1 1 17  13  37 o 22.41511 6.620423  128.2744       106.1199 10.60491       
211.9169 167.6572       122.5990 20.70864 9.702600 24.12157 9.009970 -3.412935 
13.24085 
1 1 1 17  14  0  o 37.20727 7.619111  300.8352       118.2060 306.5633       
219.7833 298.5040       140.2118 37.82088 12.19053 36.59365 9.143003 1.227222 
15.23822 
1 1 1 17  14  1  o 78.62258 5.190668  1302.271       166.2362 1369.383       
273.0013 1262.724       209.5684 80.09738 8.118344 77.14778 6.470286 2.949600 
10.38134 
1 1 1 17  14  2  o 48.82864 7.398054  540.0750       147.8554 433.2919       
228.7555 616.6937       193.7705 43.93934 12.04591 53.71795 8.591903 -9.778610 
14.79611 
1 1 1 17  14  3  o 48.79366 7.641514  543.3495       151.1220 600.2107       
197.8205 463.6574       234.1913 52.17366 9.371666 45.41365 12.07240 6.760014 
15.28303 
1 1 1 17  14  4  o 104.5349 7.372392  2322.280       323.5555 2322.280       
323.5555 0.000000       0.000000 104.5349 7.372392 ?        ?        ? ? 
1 1 1 17  14  5  o 80.66322 4.987646  1380.992       168.8720 1417.711       
239.4254 1344.641       238.2215 81.73981 6.976821 79.58664 7.129544 2.153175 
9.975291 
1 1 1 17  14  6  o 101.8311 4.916737  2176.515       201.1038 2121.703       
248.9387 2279.484       341.2036 100.1518 5.920452 103.5104 7.851462 -3.358650 
9.833474 
1 1 1 17  14  7  o 104.2158 4.655663  2288.355       202.7634 2173.668       
271.5515 2432.870       304.8258 101.3105 6.384378 107.1211 6.777943 -5.810524 
9.311326 
1 1 1 17  14  8  o 40.31961 6.837034  358.0822       114.0456 411.7826       
170.4266 314.5348       153.4721 43.02441 9.670935 37.61481 9.667118 5.409595 
13.67407 
1 1 1 17  14  9  o 66.95480 5.073674  969.6607       138.4224 867.9943       
217.2362 1039.156       179.6059 63.84016 8.105118 70.06944 6.105386 -6.229282 
10.14735 
1 1 1 17  14  10 o 30.65752 7.429634  175.7084       116.9088 256.1520       
175.3658 111.3570       156.8477 34.57521 10.86000 26.73982 10.14190 7.835394 
14.85927 
1 1 1 17  14  11 o 124.7456 4.428647  3264.291       230.4483 3580.689       
351.0402 3024.671       305.4926 129.9739 6.433120 119.5172 6.088235 10.45672 
8.857293 
1 1 1 17  14  12 f 132.6465 4.694605  3733.063       261.4093 3721.088       
366.5882 3745.451       372.8690 132.4399 6.592964 132.8531 6.685064 
-0.4132233     9.389210 
1 1 1 17  14  13 o 133.9202 5.167296  3753.422       277.0690 4022.597       
475.6969 3615.221       340.8539 137.2468 8.255610 130.5936 6.216808 6.653214 
10.33459 
1 1 1 17  14  14 o 101.7108 4.666438  2198.191       195.5030 2204.787       
253.3987 2188.489       307.2974 102.0132 5.916559 101.4084 7.217819 0.6047592 
9.332876 
1 1 1 17  14  15 o 111.4368 4.643545  2641.107       215.5698 2606.741       
324.4764 2668.259       288.4221 110.7027 6.981459 112.1709 6.124482 -1.468254 
9.287090 
1 1 1 17  14  16 o 67.22806 5.892207  961.3203       165.6708 1086.797       
243.9323 853.8855       225.7146 71.30439 8.148433 63.15173 8.513252 8.152664 
11.78441 
1 1 1 17  14  17 o 67.73943 5.446848  981.2065       154.2746 880.6476       
218.1522 1081.812       218.2023 64.20284 8.093315 71.27602 7.291836 -7.073181 
10.89370 
1 1 1 17  14  18 o 136.4852 4.921702  3836.805       270.8070 4403.518       
463.8826 3543.816       333.5434 143.6958 7.689270 129.2745 6.145545 14.42125 
9.843404 
1 1 1 17  14  19 o 63.77882 5.535528  859.8909       147.5108 773.7597       
197.6870 968.0947       221.5740 60.21094 7.820306 67.34671 7.836524 -7.135773 
11.07106 
1 1 1 17  14  20 o 50.16727 6.706000  554.9599       135.2777 568.4725       
175.0673 534.9346       213.1202 51.55669 8.087996 48.77785 10.69888 2.778835 
13.41200 
1 1 1 17  14  21 o 163.1347 5.872382  5735.184       384.6124 5804.752       
480.5193 5611.155       641.6053 165.0436 6.934788 161.2257 9.478829 3.817902 
11.74476 
1 1 1 17  14  22 o 55.53330 6.661942  657.4343       147.3533 435.6557       
192.3598 972.3917       229.2348 43.81823 10.56421 67.24837 8.119323 -23.43014 
13.32388 
1 1 1 17  14  23 o 68.64468 4.861856  1025.742       124.4258 972.6011       
235.2673 1046.377       146.6069 67.06183 8.356170 70.22754 4.972425 -3.165710 
9.723712 
1 1 1 17  14  24 o 40.11543 6.936573  367.4499       112.2971 361.1838       
189.1428 370.8611       139.5558 39.63648 10.99051 40.59436 8.465984 
-0.9578819     13.87315 
1 1 1 17  14  25 o 79.75912 4.870962  1350.962       147.4355 1422.530       
278.0419 1322.967       173.8969 80.76033 8.200367 78.75793 5.259188 2.002403 
9.741923 
1 1 1 17  14  26 o 64.11795 5.536403  878.9011       139.1072 953.8303       
249.4461 845.0813       167.5856 65.63263 9.052697 62.60328 6.376184 3.029354 
11.07281 
1 1 1 17  14  27 o 106.3969 4.034539  2484.909       175.1186 2197.581       
272.3391 2687.458       228.6585 100.6836 6.442765 112.1102 4.858067 -11.42655 
8.069078 
1 1 1 17  14  28 o 44.27478 7.667448  488.0735       135.2261 392.3432       
257.8682 524.3840       158.8145 39.94202 13.21344 48.60754 7.782294 -8.665520 
15.33490 
1 1 1 17  14  29 f 34.75476 7.605066  196.0166       123.0214 547.6099       
235.0560 63.37690       144.3736 46.57344 11.96038 22.93608 9.396671 23.63736 
15.21013 
1 1 1 17  14  30 o 77.03279 5.396992  1424.235       154.6697 1133.178       
274.6645 1559.390       187.1669 69.44220 9.421066 84.62337 5.268168 -15.18118 
10.79398 
1 1 1 17  14  31 o 48.65602 6.181717  552.5118       116.5407 599.5199       
202.1510 529.1109       142.6280 48.96406 10.17255 48.34797 7.026639 0.6160889 
12.36343 
1 1 1 17  14  32 o 23.33146 6.893537  70.94905       115.8602 -134.5988      
233.1158 138.3789       133.5185 21.47528 10.08230 25.18763 9.403749 -3.712358 
13.78707 
1 1 1 17  14  33 o 71.16540 6.219854  1320.469       142.0901 1060.442       
289.4918 1402.994       163.0862 62.56627 11.44681 79.76452 4.869994 -17.19825 
12.43971 
1 1 1 17  14  34 o 20.15508 6.600787  -29.38565      103.7992 6.160872       
241.6962 -37.42440      114.9385 23.81804 10.85751 16.49211 7.509734 7.325933 
13.20157 
1 1 1 17  14  35 o 28.52700 7.656223  61.17300       109.6120 563.9141       
261.7947 -45.69458      120.7012 40.61171 13.31366 16.44229 7.564229 24.16942 
15.31245 
1 1 1 17  14  36 o 23.35080 7.033389  114.6187       96.41003 132.3964       
260.2331 111.7904       103.7959 25.14386 11.40891 21.55773 8.228669 3.586124 
14.06678 
1 1 1 17  14  37 o 22.69249 7.207973  59.38903       108.2189 316.9919       
261.0425 5.928537       118.9193 28.21379 12.15177 17.17120 7.755896 11.04259 
14.41595 
1 1 1 17  15  0  o 49.65287 6.211413  520.6412       125.0830 653.5624       
197.1942 431.1546       161.7991 55.25225 8.500906 44.05349 9.058764 11.19877 
12.42283 
1 1 1 17  15  1  o 111.3642 5.131062  2540.558       225.3361 2931.582       
405.2155 2365.508       271.1226 117.1059 8.241923 105.6225 6.114072 11.48340 
10.26212 
1 1 1 17  15  2  o 114.8056 5.926957  2738.621       276.2037 3125.138       
464.6779 2527.454       343.4640 120.6877 9.170860 108.9236 7.510700 11.76415 
11.85391 
1 1 1 17  15  3  o 69.24239 5.689981  1024.338       163.7765 1032.680       
217.4839 1013.410       248.9147 69.65025 7.437477 68.83452 8.613215 0.8157272 
11.37996 
1 1 1 17  15  4  o 87.49918 5.024734  1603.527       182.4602 1780.580       
285.2532 1480.925       237.3707 91.47746 7.427411 83.52090 6.769444 7.956558 
10.04947 
1 1 1 17  15  5  o 109.3236 6.555091  2534.936       300.8649 0.000000       
0.000000 2534.936       300.8649 ?        ?        109.3236 6.555091 ? ? 
1 1 1 17  15  6  o 90.31020 7.548162  1735.268       286.1917 1735.268       
286.1917 0.000000       0.000000 90.31020 7.548162 ?        ?        ? ? 
1 1 1 17  15  7  o 107.9926 5.006771  2419.485       223.1764 2182.764       
285.6448 2790.426       357.5704 101.4346 6.707508 114.5506 7.435077 -13.11591 
10.01354 
1 1 1 17  15  8  o 36.20120 7.115154  283.8535       112.8417 360.4571       
168.7777 221.9330       151.7426 40.18280 10.02606 32.21960 10.09851 7.963192 
14.23031 
1 1 1 17  15  9  o 118.3799 5.073806  2977.398       252.1021 2960.107       
352.0804 2995.591       361.1448 118.0413 7.104424 118.7184 7.245770 
-0.6770554     10.14761 
1 1 1 17  15  10 o 33.30976 7.303207  234.9645       118.4702 126.3538       
174.1763 328.4714       161.6124 28.23718 10.69402 38.38233 9.949140 -10.14515 
14.60641 
1 1 1 17  15  11 o 100.7639 4.243666  2149.949       179.4780 2081.832       
251.9280 2220.153       255.7558 99.13583 6.052947 102.3919 5.949507 -3.256058 
8.487331 
1 1 1 17  15  12 o 194.9257 6.642961  8178.122       523.1304 8071.437       
862.4617 8240.218       657.9911 193.3159 10.62657 196.5356 7.974436 -3.219666 
13.28592 
1 1 1 17  15  13 o 48.42867 6.614206  519.5422       129.5442 521.8406       
187.1390 517.4276       179.5056 48.49524 9.531142 48.36209 9.173233 0.1331482 
13.22841 
1 1 1 17  15  14 o 79.09703 4.941075  1330.858       163.9191 1255.159       
230.4355 1408.399       233.2229 76.79602 7.147130 81.39803 6.824619 -4.602013 
9.882151 
1 1 1 17  15  15 o 74.91684 5.190264  1217.697       158.7858 900.9050       
225.2596 1530.567       223.8611 64.90392 8.266725 84.92976 6.278266 -20.02585 
10.38053 
1 1 1 17  15  16 o 93.30975 4.627361  1847.858       181.1725 1813.931       
251.1922 1884.642       261.5551 92.42935 6.473174 94.19016 6.614221 -1.760803 
9.254723 
1 1 1 17  15  17 o 92.93675 5.237084  1831.946       203.3678 2100.282       
297.5018 1596.565       278.6353 99.34692 7.132738 86.52660 7.670217 12.82032 
10.47417 
1 1 1 17  15  18 o 83.04562 4.798895  1446.225       165.8102 1328.198       
217.4556 1610.160       256.2809 79.08694 6.549180 87.00431 7.016111 -7.917374 
9.597790 
1 1 1 17  15  19 o 41.06023 7.313630  349.4673       127.6771 221.1258       
163.1229 552.4381       205.1391 32.38025 10.50880 49.74021 10.17457 -17.35996 
14.62726 
1 1 1 17  15  20 o 129.8400 4.602060  3424.470       218.6466 3270.497       
250.8754 3910.912       445.9136 124.4002 4.803503 135.2797 7.851254 -10.87949 
9.204121 
1 1 1 17  15  21 o 34.12234 6.670896  101.9498       118.1904 -100.7841      
141.4628 570.6071       215.0833 17.88402 8.211305 50.36066 10.51560 -32.47664 
13.34179 
1 1 1 17  15  22 f 47.67982 6.760324  506.8122       119.4607 493.1302       
227.2360 512.0377       140.4326 46.40179 11.66738 48.95785 6.832294 -2.556061 
13.52065 
1 1 1 17  15  23 o 36.20308 7.378578  315.1499       120.1310 161.5227       
222.5192 378.3442       142.7159 31.33206 12.02242 41.07410 8.557750 -9.742037 
14.75716 
1 1 1 17  15  24 o 52.62032 6.679061  682.7570       125.2694 479.6383       
231.2583 767.1073       149.0273 45.32826 11.97233 59.91238 5.924753 -14.58412 
13.35812 
1 1 1 17  15  25 o 80.07385 4.617776  1356.382       142.4002 1438.707       
262.5033 1322.054       169.5089 81.39195 7.682002 78.75575 5.126623 2.636200 
9.235552 
1 1 1 17  15  26 o 64.22769 5.278516  886.5760       133.1745 932.8076       
236.0947 865.0016       161.2819 65.04247 8.645903 63.41292 6.057996 1.629547 
10.55703 
1 1 1 17  15  27 o 72.71714 4.570128  1204.205       126.6476 995.1456       
221.1999 1306.159       154.4725 67.23600 7.836176 78.19828 4.705169 -10.96228 
9.140256 
1 1 1 17  15  28 o 42.20872 7.771927  417.0235       130.4057 467.0320       
240.2262 396.1300       155.2758 43.31395 12.51011 41.10349 9.225433 2.210461 
15.54385 
1 1 1 17  15  29 o 82.26339 4.202603  1508.307       137.1976 1372.932       
229.1141 1583.987       171.3073 78.75497 6.929388 85.77180 4.757212 -7.016830 
8.405206 
1 1 1 17  15  30 o 60.03232 6.172706  846.1583       133.4083 823.8375       
251.6643 854.8822       157.3336 57.74035 10.78211 62.32428 6.012918 -4.583927 
12.34541 
1 1 1 17  15  31 o 37.42509 7.751653  271.6554       116.5639 602.4275       
246.2144 176.1030       132.3335 47.36374 12.28157 27.48645 9.461269 19.87729 
15.50331 
1 1 1 17  15  32 o 27.39297 7.655679  113.5137       113.6513 295.9286       
236.0141 58.44478       129.6765 33.45909 12.50045 21.32686 8.841744 12.13223 
15.31136 
1 1 1 17  15  33 o 53.54660 7.279527  917.9861       135.5300 433.4875       
273.8293 1075.181       155.9743 37.58844 13.54236 69.50475 5.345147 -31.91631 
14.55905 
1 1 1 17  15  34 o 55.02185 6.711562  738.2436       118.8862 843.5672       
269.3623 712.7629       132.4889 53.88361 12.19037 56.16008 5.619180 -2.276466 
13.42312 
1 1 1 17  15  35 o 34.61526 6.605516  345.5372       95.04536 247.7787       
208.9470 371.0421       106.7261 29.40359 11.56679 39.82694 6.382853 -10.42336 
13.21103 
1 1 1 17  15  36 o 31.94151 8.071005  207.5660       109.9812 649.7031       
270.7650 120.2053       120.3572 41.48534 13.53983 22.39769 8.788490 19.08765 
16.14201 
1 1 1 17  15  37 o 21.40559 6.838945  71.00835       107.7045 107.9982       
257.1104 63.13590       118.6133 23.57814 10.92130 19.23305 8.234684 4.345087 
13.67789 
1 1 1 17  16  0  o 106.0152 5.046209  2328.898       215.2452 2610.823       
368.8759 2183.346       265.0473 110.5779 7.945714 101.4525 6.222743 9.125481 
10.09242 
1 1 1 17  16  1  o 86.19843 4.715181  1563.699       169.2036 1692.054       
260.1628 1469.606       222.7499 89.19000 6.947843 83.20686 6.376458 5.983147 
9.430362 
1 1 1 17  16  2  o 121.9496 5.220271  3153.973       266.2691 3010.719       
358.4243 3330.398       397.7635 118.9225 7.178845 124.9766 7.580836 -6.054169 
10.44054 
1 1 1 17  16  3  o 159.6822 7.108971  5369.533       459.8645 5031.921       
571.6305 5988.833       774.2068 153.1995 8.887488 166.1648 11.09786 -12.96524 
14.21794 
1 1 1 17  16  4  o 34.31528 7.555956  257.8250       124.0074 158.7939       
196.4317 323.4450       159.8984 30.57511 11.40787 38.05547 9.911122 -7.480358 
15.11191 
1 1 1 17  16  5  o 98.04428 4.491588  2039.266       184.8652 2017.141       
262.3340 2061.091       260.5529 97.50690 6.408263 98.58165 6.295365 -1.074745 
8.983176 
1 1 1 17  16  6  o 109.3999 5.553622  2541.647       250.8940 2495.301       
325.3441 2609.650       394.0938 108.3194 7.154143 110.4803 8.496417 -2.160866 
11.10724 
1 1 1 17  16  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  16  8  o 33.89245 8.958095  189.8708       175.7350 272.4406       
237.9082 90.71701       260.7074 36.76331 12.68281 31.02160 12.65450 5.741709 
17.91619 
1 1 1 17  16  9  o 191.7446 6.414561  7862.768       511.3673 7999.750       
782.0256 7760.443       675.8931 192.9396 9.654300 190.5496 8.448721 2.389938 
12.82912 
1 1 1 17  16  10 o 32.31437 6.932730  210.3817       117.0108 22.75338       
173.7413 366.1252       158.2920 24.11758 10.12983 40.51116 9.467706 -16.39357 
13.86546 
1 1 1 17  16  11 o 133.8139 5.170736  3805.264       287.7075 3766.771       
380.6108 3856.582       439.4657 133.1487 6.808716 134.4791 7.783792 -1.330399 
10.34147 
1 1 1 17  16  12 o 49.46196 6.307308  534.5452       127.6419 509.3712       
186.2274 556.8501       175.2940 47.87361 9.603941 51.05031 8.178804 -3.176701 
12.61462 
1 1 1 17  16  13 f 138.7899 5.677870  4092.905       328.6281 4295.134       
498.9404 3937.951       436.7454 141.6931 8.387278 135.8867 7.655482 5.806412 
11.35574 
1 1 1 17  16  14 o 89.76812 4.644209  1710.933       174.9363 1634.038       
244.9120 1791.031       249.9597 87.69616 6.651975 91.84008 6.482742 -4.143921 
9.288419 
1 1 1 17  16  15 o 38.76823 7.683011  335.9418       135.3898 211.9603       
197.1204 446.6609       186.2793 32.88833 11.52535 44.64813 10.16272 -11.75980 
15.36602 
1 1 1 17  16  16 o 79.88315 5.079384  1340.083       169.1218 1518.690       
258.7361 1206.847       223.4694 84.45056 7.297525 75.31574 7.067299 9.134819 
10.15877 
1 1 1 17  16  17 o 156.0302 5.277432  5122.225       325.2769 4998.768       
395.6025 5379.885       571.5107 153.5378 6.137124 158.5227 8.587250 -4.984924 
10.55486 
1 1 1 17  16  18 o 33.36111 6.421525  211.7028       112.3632 450.1777       
160.3089 -18.60048      157.5383 45.11152 8.777532 21.61072 9.375441 23.50080 
12.84305 
1 1 1 17  16  19 o 121.5529 4.683121  2896.138       202.8709 2700.235       
228.8401 3615.303       438.4557 113.0470 4.821633 130.0588 8.029841 -17.01179 
9.366242 
1 1 1 17  16  20 o 109.8946 4.794855  2573.066       202.2922 2577.383       
241.6811 2562.964       369.7063 110.3551 5.216404 109.4340 8.046841 0.9210739 
9.589709 
1 1 1 17  16  21 o 44.88864 6.951071  442.0490       119.1915 477.1556       
217.6939 427.0193       142.4384 45.80334 11.36126 43.97395 8.011949 1.829391 
13.90214 
1 1 1 17  16  22 f 48.03850 6.673261  504.8684       121.7353 525.2964       
222.5685 496.1485       145.4145 47.94755 11.24015 48.12944 7.196443 
-0.1818962     13.34652 
1 1 1 17  16  23 o 79.16137 4.037069  1384.166       127.1844 1158.989       
206.1817 1522.477       161.5909 73.55848 6.676341 84.76426 4.540725 -11.20578 
8.074139 
1 1 1 17  16  24 o 22.70759 6.608603  5.988608       115.9436 -332.4935      
221.5018 133.7307       136.0744 18.90475 9.140603 26.51043 9.546930 -7.605679 
13.21721 
1 1 1 17  16  25 o 34.62593 7.401886  264.4577       104.8731 265.4997       
220.7588 264.1541       119.1801 35.14386 12.20816 34.10801 8.373326 1.035854 
14.80377 
1 1 1 17  16  26 o 82.34129 5.420873  1515.167       172.9377 1382.795       
302.3857 1579.507       210.8185 78.94128 9.123849 85.74131 5.856521 -6.800026 
10.84175 
1 1 1 17  16  27 o 36.16708 7.244572  276.8952       108.0428 404.5286       
198.1873 222.9232       128.8777 41.13927 11.18302 31.19488 9.212778 9.944393 
14.48914 
1 1 1 17  16  28 o 80.62723 5.156647  1438.339       158.6288 1421.953       
290.8036 1445.280       189.2672 79.46080 8.717018 81.79365 5.511589 -2.332848 
10.31329 
1 1 1 17  16  29 o 35.73275 7.425844  328.2535       116.9600 206.2372       
232.9139 369.3965       135.2491 31.71398 12.27027 39.75151 8.367386 -8.037529 
14.85169 
1 1 1 17  16  30 o 30.09402 7.520968  204.3069       106.0756 184.6974       
232.7679 209.4468       119.1692 30.50048 12.14158 29.68756 8.879291 0.8129158 
15.04194 
1 1 1 17  16  31 o 43.56955 7.489888  479.2650       122.8199 467.1455       
254.6553 482.9388       140.2043 41.04408 13.11129 46.09501 7.244836 -5.050926 
14.97978 
1 1 1 17  16  32 o 46.12693 7.129209  628.5131       117.1730 368.6440       
257.0647 696.6638       131.6438 36.22382 13.11427 56.03003 5.596294 -19.80621 
14.25842 
1 1 1 17  16  33 f 27.32864 6.945237  78.13560       89.52840 401.9976       
205.9437 2.668989       99.41365 37.70343 11.75411 16.95384 7.401772 20.74959 
13.89047 
1 1 1 17  16  34 o 56.54445 6.744277  769.1573       122.5038 911.6936       
279.9541 735.4005       136.2399 56.08608 12.22835 57.00282 5.692842 
-0.9167404     13.48855 
1 1 1 17  16  35 o 28.79568 7.813931  191.8805       108.2472 338.3733       
257.2963 160.3754       119.3208 32.42243 12.80968 25.16892 8.952209 7.253506 
15.62786 
1 1 1 17  16  36 o 32.89046 7.832294  295.3448       105.8156 455.3264       
261.0860 263.9013       115.7482 34.65902 13.10269 31.12189 8.584806 3.537134 
15.66459 
1 1 1 17  16  37 o 40.98855 7.662717  522.2651       120.1239 624.7930       
271.8518 497.3895       133.9057 37.90134 13.50940 44.07575 7.236366 -6.174412 
15.32543 
1 1 1 17  17  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  17  1  o 131.7724 5.587067  3704.459       308.9421 3869.862       
441.9952 3546.456       431.9966 134.6699 7.817501 128.8749 7.984231 5.795044 
11.17413 
1 1 1 17  17  2  o 171.4481 7.043957  6352.340       489.9830 6398.434       
620.0237 6275.674       799.6261 172.8759 8.542697 170.0202 11.20231 2.855637 
14.08791 
1 1 1 17  17  3  o 142.4691 6.520363  4406.657       370.0801 4515.679       
459.9586 4206.509       623.2144 145.5381 7.527714 139.4002 10.64866 6.137924 
13.04073 
1 1 1 17  17  4  o 46.27645 6.357799  471.0411       120.6096 422.8194       
175.0421 514.6292       166.4197 43.47762 9.820621 49.07529 8.077240 -5.597679 
12.71560 
1 1 1 17  17  5  o 90.09915 4.478675  1723.099       169.3379 1786.060       
239.8984 1660.576       239.0636 91.75610 6.227496 88.44221 6.438354 3.313896 
8.957350 
1 1 1 17  17  6  o 129.3246 5.919620  3550.466       313.3107 3458.981       
398.5266 3698.512       506.9697 127.4108 7.450272 131.2385 9.201144 -3.827698 
11.83924 
1 1 1 17  17  7  o 96.77707 6.037601  2004.713       244.7025 2192.928       
349.9233 1824.583       342.3250 101.2892 8.228695 92.26495 8.837368 9.024223 
12.07520 
1 1 1 17  17  8  o 96.65102 9.837632  2011.901       399.1866 0.000000       
0.000000 2011.901       399.1866 ?        ?        96.65102 9.837632 ? ? 
1 1 1 17  17  9  o 146.1829 10.52240  4619.384       645.7885 4619.384       
645.7885 0.000000       0.000000 146.1829 10.52240 ?        ?        ? ? 
1 1 1 17  17  10 o 37.11753 8.970264  276.1859       170.7880 361.1900       
241.6730 191.3816       241.3887 40.62688 12.74649 33.60817 12.62496 7.018707 
17.94053 
1 1 1 17  17  11 o 90.92759 4.438424  1753.193       168.9144 1741.651       
229.7177 1766.781       249.2365 90.63815 6.036767 91.21703 6.508140 
-0.5788727     8.876848 
1 1 1 17  17  12 o 197.1552 7.283015  8397.760       602.7580 8539.881       
851.8473 8255.249       853.0110 198.8785 10.20223 195.4319 10.39633 3.446533 
14.56603 
1 1 1 17  17  13 o 93.26917 5.135692  1858.021       199.2958 1809.564       
300.4536 1896.093       266.3176 92.08327 7.771729 94.45506 6.715769 -2.371780 
10.27138 
1 1 1 17  17  14 o 76.43151 4.970371  1241.538       159.2829 1268.231       
232.2346 1217.827       218.8783 77.18626 7.166515 75.67677 6.889080 1.509491 
9.940742 
1 1 1 17  17  15 o 98.48317 5.101948  2064.581       210.8938 2060.485       
294.7844 2068.876       301.8386 98.39811 7.135736 98.56824 7.293884 
-0.1701279     10.20390 
1 1 1 17  17  16 o 102.7000 4.661163  2203.577       195.0194 2096.827       
244.9998 2388.185       322.1869 99.48413 5.865879 105.9158 7.245496 -6.431679 
9.322326 
1 1 1 17  17  17 o 152.3887 5.316812  4910.845       334.2779 4749.051       
431.2321 5154.436       529.1271 149.4576 6.872489 155.3198 8.114361 -5.862198 
10.63362 
1 1 1 17  17  18 o 95.91419 4.637702  1903.589       183.7016 1688.438       
235.2840 2239.535       294.0051 89.19859 6.282833 102.6298 6.823425 -13.43121 
9.275404 
1 1 1 17  17  19 o 150.7461 4.203432  4726.120       250.2738 4553.646       
303.4472 5093.038       442.5941 146.7682 4.924614 154.7239 6.813482 -7.955734 
8.406864 
1 1 1 17  17  20 o 115.9282 4.696190  2789.843       205.7280 3023.519       
394.0703 2702.294       241.2073 118.8547 7.897293 113.0016 5.084249 5.853088 
9.392381 
1 1 1 17  17  21 o 69.34118 4.999964  975.0493       129.9093 1145.774       
256.6505 916.2402       150.6313 72.96653 8.377981 65.71583 5.459671 7.250702 
9.999928 
1 1 1 17  17  22 o 161.1307 4.079274  5556.279       263.1508 5417.873       
441.6295 5632.475       327.6745 159.2261 6.606401 163.0352 4.787208 -3.809113 
8.158547 
1 1 1 17  17  23 o 85.75703 4.616968  1545.122       151.8793 1650.069       
282.5006 1502.455       180.1259 87.43339 7.695965 84.08067 5.102713 3.352722 
9.233935 
1 1 1 17  17  24 o 55.73109 5.303918  710.3712       105.5685 612.8977       
197.0584 749.6063       125.0227 52.10972 9.346269 59.35246 5.017314 -7.242737 
10.60784 
1 1 1 17  17  25 o 49.30089 6.766650  547.2729       124.9922 550.0485       
231.8704 546.1360       148.3997 48.35298 11.56145 50.24880 7.034420 -1.895817 
13.53330 
1 1 1 17  17  26 o 64.89900 6.219131  981.0496       143.9432 852.5472       
268.3195 1032.975       170.5640 60.48236 10.97079 69.31564 5.861074 -8.833271 
12.43826 
1 1 1 17  17  27 o 70.78519 5.543139  1162.541       147.0310 961.5317       
263.1573 1253.767       177.2831 65.24391 9.607191 76.32646 5.532396 -11.08255 
11.08628 
1 1 1 17  17  28 o 21.89056 6.902040  -28.60702      110.7172 20.49194       
224.6437 -44.36007      127.2449 25.79583 11.19338 17.98530 8.078416 7.810532 
13.80408 
1 1 1 17  17  29 o 42.73463 7.263701  382.2428       110.2680 579.9844       
242.8200 330.8706       123.7655 47.79346 12.08705 37.67581 8.059074 10.11765 
14.52740 
1 1 1 17  17  30 o 34.21175 7.028902  287.1409       100.0325 267.0680       
198.0643 294.0143       115.9004 33.11647 11.55790 35.30703 8.002301 -2.190563 
14.05780 
1 1 1 17  17  31 o 89.19816 4.723644  1691.822       155.4790 2003.007       
313.1550 1590.018       179.1147 93.04380 8.016650 85.35252 4.998457 7.691284 
9.447289 
1 1 1 17  17  32 o 39.67197 7.732336  334.6415       111.9884 609.0505       
254.3962 268.6826       124.7234 46.46219 12.68785 32.88175 8.841639 13.58044 
15.46467 
1 1 1 17  17  33 o 40.40470 7.370084  431.3820       109.9752 419.6768       
256.7350 434.0125       121.7067 37.32897 13.14615 43.48043 6.667173 -6.151466 
14.74017 
1 1 1 17  17  34 o 29.08642 7.773337  158.6464       105.9798 397.3026       
247.8866 105.2666       117.2344 35.71596 12.88319 22.45687 8.701860 13.25908 
15.54667 
1 1 1 17  17  35 o 39.32227 6.955821  372.0500       95.37466 530.9019       
220.9452 335.6715       105.7330 41.53362 11.99811 37.11091 7.041252 4.422703 
13.91164 
1 1 1 17  17  36 o 33.41219 7.882347  336.0772       117.3400 403.9638       
258.0220 318.3767       131.7524 33.00057 12.88439 33.82381 9.083945 
-0.8232384     15.76469 
1 1 1 17  17  37 o 34.18188 7.444039  428.9522       129.4429 271.4581       
263.1874 479.2051       148.6666 27.22727 11.96373 41.13648 8.861375 -13.90921 
14.88808 
1 1 1 17  18  0  o 51.80095 7.795000  572.7501       169.5246 0.000000       
0.000000 572.7501       169.5246 ?        ?        51.80095 7.795000 ? ? 
1 1 1 17  18  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  18  2  o 129.2917 5.208621  3566.015       282.2569 3739.239       
395.2096 3385.667       403.2551 132.5676 7.100864 126.0159 7.622117 6.551682 
10.41724 
1 1 1 17  18  3  o 97.82367 5.089237  2013.229       206.3876 1896.796       
268.2421 2182.164       323.1078 94.47639 6.762772 101.1710 7.606987 -6.694565 
10.17847 
1 1 1 17  18  4  o 62.37191 5.142996  835.0779       132.8391 781.9348       
201.4299 875.9792       176.7132 60.51852 7.927873 64.22530 6.553660 -3.706772 
10.28599 
1 1 1 17  18  5  f 60.83093 5.663589  786.6754       143.6374 821.2866       
218.1582 760.1896       190.8397 61.95578 8.387080 59.70609 7.613268 2.249695 
11.32718 
1 1 1 17  18  6  o 134.7466 6.798333  3889.832       381.8579 4059.634       
580.3022 3760.155       507.1226 137.1631 10.07715 132.3301 9.127997 4.833084 
13.59667 
1 1 1 17  18  7  o 99.73441 6.418565  2119.472       267.5609 2305.964       
402.2961 1971.547       358.2919 103.5967 9.249558 95.87214 8.901549 7.724548 
12.83713 
1 1 1 17  18  8  o 46.26727 8.226654  479.5638       163.8093 650.1175       
236.3980 322.0261       227.1985 53.90189 10.82736 38.63264 12.38869 15.26925 
16.45331 
1 1 1 17  18  9  o 71.66022 7.460463  1082.303       221.4387 931.3356       
286.4024 1306.688       349.1650 65.63950 10.39280 77.68093 10.70625 -12.04144 
14.92093 
1 1 1 17  18  10 o 96.42573 7.549262  1982.426       305.6162 0.000000       
0.000000 1982.426       305.6162 ?        ?        96.42573 7.549262 ? ? 
1 1 1 17  18  11 o 58.07339 7.125708  744.7340       167.1521 700.4042       
254.4061 778.4065       221.7265 55.88556 11.23813 60.26121 8.763969 -4.375645 
14.25142 
1 1 1 17  18  12 f 95.89775 5.013970  1971.722       200.2588 2131.129       
274.4083 1790.088       292.9141 100.1756 6.524634 91.61985 7.615033 8.555794 
10.02794 
1 1 1 17  18  13 o 226.8017 7.595511  11272.65       684.7258 10684.04       
1154.993 11591.64       850.2527 220.9975 12.44839 232.6059 8.706597 -11.60837 
15.19102 
1 1 1 17  18  14 o 45.23234 7.241482  457.0669       133.8197 471.7602       
199.9111 445.1375       180.1302 45.84357 10.59176 44.62111 9.877797 1.222462 
14.48296 
1 1 1 17  18  15 o 93.69278 3.963714  1851.124       155.4035 1774.840       
209.8510 1943.760       231.2517 91.58410 5.457729 95.80145 5.749550 -4.217354 
7.927429 
1 1 1 17  18  16 o 69.43298 4.629382  1026.840       132.6909 1041.446       
173.3194 1006.156       206.2552 70.10748 5.888491 68.75850 7.144956 1.348976 
9.258764 
1 1 1 17  18  17 o 55.70125 5.983100  615.7864       128.3711 371.1706       
159.6706 1062.909       215.8718 40.75808 9.498108 70.64442 7.278454 -29.88634 
11.96620 
1 1 1 17  18  18 o 136.2038 5.363942  3930.531       296.0450 3853.797       
371.2688 4064.504       490.5728 134.6672 6.566707 137.7404 8.483270 -3.073151 
10.72788 
1 1 1 17  18  19 o 29.90484 7.326982  112.6430       111.2321 328.3723       
204.4082 21.88761       132.5806 38.52939 11.65042 21.28029 8.888558 17.24909 
14.65396 
1 1 1 17  18  20 o 81.63225 4.386095  1430.035       133.5246 1387.909       
254.2815 1446.072       156.8964 80.54956 7.519218 82.71494 4.518039 -2.165375 
8.772190 
1 1 1 17  18  21 o 47.10073 6.742192  507.7926       118.5414 449.3865       
220.8453 531.4307       140.4963 44.31457 11.69744 49.88689 6.708101 -5.572319 
13.48438 
1 1 1 17  18  22 o 95.48221 4.470530  1905.957       163.4659 2049.121       
305.5045 1848.528       193.4946 97.62086 7.454113 93.34354 4.937482 4.277321 
8.941059 
1 1 1 17  18  23 f 26.66303 7.456044  84.94898       113.4310 154.8446       
214.1990 57.70898       133.7198 30.62578 11.78399 22.70027 9.138269 7.925508 
14.91209 
1 1 1 17  18  24 o 52.16354 6.493896  605.5357       126.2693 613.8315       
232.5246 602.0663       150.3726 51.45054 11.08150 52.87653 6.773714 -1.425991 
12.98779 
1 1 1 17  18  25 o 114.9866 4.390038  2964.523       188.2820 2564.652       
346.2695 3132.374       224.3452 108.5620 7.597268 121.4113 4.401278 -12.84928 
8.780075 
1 1 1 17  18  26 o 29.12585 7.656642  153.3481       110.8057 183.5779       
230.0812 144.2196       126.4336 31.76525 12.21500 26.48646 9.235283 5.278786 
15.31328 
1 1 1 17  18  27 o 31.48137 7.744708  193.2432       111.3442 283.6106       
227.7583 164.8634       127.6361 35.38052 12.38965 27.58222 9.296162 7.798300 
15.48942 
1 1 1 17  18  28 o 27.67920 7.066716  164.6522       108.3650 -48.82242      
233.8030 223.0581       122.2940 24.42253 10.96058 30.93588 8.922976 -6.513353 
14.13343 
1 1 1 17  18  29 o 67.11127 5.564765  1051.825       127.9679 942.2543       
265.6407 1084.937       146.0291 63.34003 9.989355 70.88251 4.907059 -7.542473 
11.12953 
1 1 1 17  18  30 o 31.07628 7.164973  214.9398       96.66964 276.0648       
194.4032 194.8603       111.4220 33.46194 11.47235 28.69062 8.586771 4.771317 
14.32995 
1 1 1 17  18  31 o 43.16514 7.099594  373.7620       105.2336 672.4579       
244.9361 306.1451       116.5376 50.51505 11.75873 35.81523 7.959229 14.69982 
14.19919 
1 1 1 17  18  32 o 24.28531 7.282772  67.13197       104.7565 148.7663       
240.1156 47.94133       116.4203 28.43474 11.92426 20.13588 8.364636 8.298864 
14.56554 
1 1 1 17  18  33 o 80.86118 5.522510  1653.154       149.1538 1332.201       
305.3334 1753.746       170.9368 72.26711 10.06363 89.45525 4.551460 -17.18814 
11.04502 
1 1 1 17  18  34 o 17.47181 5.980713  -104.8106      98.87534 -196.5479      
246.4221 -87.20714      107.9459 20.41683 9.819542 14.52680 6.830250 5.890031 
11.96143 
1 1 1 17  18  35 o 27.79610 7.630574  186.9203       108.2064 256.3104       
251.2132 171.1135       119.8992 29.81386 12.33000 25.77835 8.992979 4.035511 
15.26115 
1 1 1 17  18  36 o 27.92949 7.882152  189.7377       118.2893 384.9147       
255.3062 136.3867       133.4808 32.39319 12.77210 23.46578 9.240500 8.927414 
15.76430 
1 1 1 17  18  37 o 32.12433 7.201229  383.9120       129.2578 131.8972       
276.1800 454.5970       146.2659 24.31931 11.28547 39.92934 8.948125 -15.61003 
14.40246 
1 1 1 17  19  0  o 40.65120 7.078960  354.5796       116.1717 437.9355       
196.9507 310.1036       143.8638 44.06545 10.73083 37.23695 9.235582 6.828503 
14.15792 
1 1 1 17  19  1  o 50.53255 7.654435  544.9753       162.3915 0.000000       
0.000000 544.9753       162.3915 ?        ?        50.53255 7.654435 ? ? 
1 1 1 17  19  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  19  3  o 22.81858 7.113107  -43.22167      131.2260 -15.33448      
168.1889 -86.61322      209.7961 22.45583 9.713820 23.18134 10.39360 
-0.7255077     14.22621 
1 1 1 17  19  4  o 108.1580 5.070161  2462.244       221.5895 2590.540       
371.1583 2391.189       276.2186 110.1356 8.026987 106.1804 6.196259 3.955193 
10.14032 
1 1 1 17  19  5  o 142.5656 7.034504  4372.252       420.0482 4493.335       
618.8602 4268.818       571.9813 144.2915 10.21581 140.8396 9.673376 3.451920 
14.06901 
1 1 1 17  19  6  o 69.75370 5.780851  1005.944       160.9684 1148.765       
281.6230 936.6458       196.1712 73.15150 9.169929 66.35590 7.041689 6.795609 
11.56170 
1 1 1 17  19  7  o 28.43574 8.275796  65.21213       158.5220 68.00978       
213.2341 61.75566       237.0150 27.92191 11.42629 28.94956 11.97477 -1.027657 
16.55159 
1 1 1 17  19  8  o 74.00169 6.838485  1186.824       210.3806 1007.367       
299.0809 1362.591       295.9893 68.27538 10.43387 79.72801 8.842727 -11.45263 
13.67697 
1 1 1 17  19  9  o 90.06174 6.470618  1741.067       244.5203 1735.105       
339.8607 1747.464       352.0703 89.93434 9.001118 90.18913 9.298144 
-0.2547836     12.94124 
1 1 1 17  19  10 o 111.8807 5.442406  2595.460       245.9690 2413.532       
304.0905 2939.744       418.3214 106.5624 6.797040 117.1990 8.501727 -10.63660 
10.88481 
1 1 1 17  19  11 o 84.41452 5.763497  1521.464       204.1082 1441.612       
284.6920 1605.919       292.7831 82.11763 8.257717 86.71141 8.042494 -4.593781 
11.52699 
1 1 1 17  19  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  19  13 o 42.63058 8.095218  414.8499       151.9210 288.5138       
225.7199 519.4747       205.4108 37.11324 12.36237 48.14791 10.45476 -11.03466 
16.19044 
1 1 1 17  19  14 o 76.53603 4.586224  1259.458       143.7388 1324.774       
186.8549 1164.783       224.9631 79.10409 5.626348 73.96797 7.244171 5.136116 
9.172448 
1 1 1 17  19  15 o 53.38639 5.945614  632.6341       124.0745 673.2487       
157.6063 566.4380       201.2096 56.29275 6.668715 50.48004 9.845281 5.812714 
11.89123 
1 1 1 17  19  16 o 121.5752 4.586759  3026.192       213.8051 2873.519       
252.1409 3416.905       403.3588 116.5721 5.151928 126.5784 7.590196 -10.00634 
9.173518 
1 1 1 17  19  17 o 67.25975 5.506140  967.6898       155.2067 1016.243       
217.2976 917.1215       221.7612 69.02666 7.498238 65.49284 8.065156 3.533813 
11.01228 
1 1 1 17  19  18 o 119.9091 3.844364  3111.064       184.8512 2806.028       
302.3952 3293.054       233.5729 114.9408 6.266452 124.8774 4.455123 -9.936562 
7.688728 
1 1 1 17  19  19 o 83.68462 4.409350  1465.254       146.2282 1559.909       
256.1382 1419.488       178.1049 85.49539 7.135965 81.87385 5.181456 3.621544 
8.818701 
1 1 1 17  19  20 o 55.27789 6.034912  718.6570       121.3202 546.9354       
213.0446 801.0681       147.5880 49.14867 10.62583 61.40710 5.724711 -12.25843 
12.06982 
1 1 1 17  19  21 o 32.66309 7.060699  113.6405       113.7408 483.5034       
215.6124 -28.97240      133.8852 45.92584 11.25499 19.40033 8.528716 26.52551 
14.12140 
1 1 1 17  19  22 o 72.86196 4.778611  1099.031       135.7008 1244.945       
248.5435 1037.061       161.9736 75.93519 7.796153 69.78873 5.528153 6.146454 
9.557221 
1 1 1 17  19  23 o 57.47102 5.482578  714.8236       121.0099 716.6431       
220.8250 714.0428       144.6647 57.16102 9.201726 57.78102 5.963463 
-0.6199951     10.96516 
1 1 1 17  19  24 o 46.69592 6.745216  507.1606       118.0706 449.8996       
219.0131 530.6208       140.1864 43.77274 11.69216 49.61910 6.729427 -5.846363 
13.49043 
1 1 1 17  19  25 o 76.30849 4.812505  1199.296       134.7336 1388.828       
273.8168 1138.746       154.7661 79.58057 8.195473 73.03642 5.047282 6.544159 
9.625010 
1 1 1 17  19  26 o 65.44585 6.489060  1056.485       139.6820 799.1940       
278.2184 1143.195       161.5132 57.86341 11.86089 73.02828 5.267905 -15.16488 
12.97812 
1 1 1 17  19  27 o 48.86109 7.135497  552.1055       123.0519 561.5176       
256.2274 549.2840       140.2885 47.55433 12.62128 50.16785 6.660664 -2.613529 
14.27099 
1 1 1 17  19  28 o 30.68732 7.774189  166.7902       111.7652 320.7805       
231.8171 120.1557       127.5711 36.49464 12.52623 24.88001 9.211166 11.61462 
15.54838 
1 1 1 17  19  29 o 46.85446 6.076000  496.4622       101.9950 538.4273       
202.8436 482.2617       117.9969 46.80008 10.57227 46.90885 5.991516 
-0.1087761     12.15200 
1 1 1 17  19  30 o 23.25632 6.945724  64.33868       90.06078 49.74519       
234.3672 66.86697       97.55074 26.25090 11.41258 20.26174 7.919930 5.989166 
13.89145 
1 1 1 17  19  31 o 37.31783 7.158844  363.9751       105.0862 282.4729       
242.3777 382.8423       116.6170 33.44511 12.63018 41.19054 6.743502 -7.745426 
14.31769 
1 1 1 17  19  32 o 27.08561 7.144690  170.0913       97.85213 72.03106       
243.3761 188.9997       106.8707 26.34476 11.54071 27.82645 8.426060 -1.481684 
14.28938 
1 1 1 17  19  33 o 34.30714 7.721232  287.5049       105.4411 387.7327       
249.3754 265.6855       116.3535 36.05514 12.93011 32.55914 8.442863 3.495998 
15.44246 
1 1 1 17  19  34 o 70.45071 5.253162  1142.948       127.1773 1251.386       
274.5553 1113.324       143.5008 70.07398 9.332417 70.82743 4.825852 
-0.7534485     10.50632 
1 1 1 17  19  35 o 27.98663 7.733851  200.0573       117.1673 235.7664       
255.6129 190.5586       131.8327 29.14314 12.26593 26.83013 9.423210 2.313004 
15.46770 
1 1 1 17  19  36 o 22.40862 7.068583  66.98189       113.6329 131.7867       
249.6202 50.04210       127.6234 25.19153 11.31501 19.62571 8.475258 5.565823 
14.13717 
1 1 1 17  19  37 o 34.07136 8.024744  248.0415       116.6959 834.9946       
273.9952 117.9783       128.9789 46.31861 13.35483 21.82410 8.901381 24.49451 
16.04949 
1 1 1 17  20  0  o 72.34145 3.844944  990.8656       100.8612 1356.247       
216.1048 889.1085       114.0443 79.80073 6.450281 64.88216 4.186677 14.91856 
7.689889 
1 1 1 17  20  1  o 50.71505 5.897289  561.1107       122.3225 512.5632       
173.8649 608.6934       172.1286 48.08035 8.947259 53.34975 7.684960 -5.269409 
11.79458 
1 1 1 17  20  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  20  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  20  4  o 72.63092 5.898146  1077.609       169.3999 1282.377       
304.5070 985.8350       203.8567 77.21438 9.393344 68.04746 7.135658 9.166916 
11.79629 
1 1 1 17  20  5  o 31.26676 8.336451  163.1606       146.3196 132.9333       
242.8788 180.3809       183.3200 31.54200 12.45075 30.99151 11.08894 0.5504894 
16.67290 
1 1 1 17  20  6  o 133.6812 6.184935  3828.140       344.6644 3840.772       
519.3309 3818.196       460.7657 133.7165 9.250817 133.6458 8.211945 
0.7077026E-01  12.36987 
1 1 1 17  20  7  o 69.03136 7.140902  1051.264       199.1527 870.5292       
284.4043 1225.150       278.9633 62.45372 11.25786 75.60902 8.788093 -13.15530 
14.28180 
1 1 1 17  20  8  o 140.2108 6.148450  4125.054       349.3935 3897.400       
435.1121 4538.325       586.2466 135.1889 7.666220 145.2328 9.614720 -10.04393 
12.29690 
1 1 1 17  20  9  o 65.26875 6.450213  914.1966       176.5609 911.1608       
243.9790 917.5344       255.8321 65.18722 8.914790 65.35029 9.324566 
-0.1630707     12.90043 
1 1 1 17  20  10 o 54.96011 7.368558  667.0910       165.8564 568.6441       
234.4995 765.6334       234.6133 50.22960 11.38139 59.69061 9.361979 -9.461010 
14.73712 
1 1 1 17  20  11 o 78.06323 5.705863  1295.558       186.5500 1192.230       
254.2641 1416.026       274.5447 74.70165 8.107295 81.42482 8.031142 -6.723167 
11.41173 
1 1 1 17  20  12 o 82.98965 5.784600  1472.615       201.4566 1441.206       
287.0495 1503.101       282.8031 82.09021 8.328877 83.88910 8.029708 -1.798889 
11.56920 
1 1 1 17  20  13 o 183.7194 9.083201  7244.776       700.6046 0.000000       
0.000000 7244.776       700.6046 ?        ?        183.7194 9.083201 ? ? 
1 1 1 17  20  14 o 40.27894 12.18855  358.6772       223.6718 358.6772       
223.6718 0.000000       0.000000 40.27894 12.18855 ?        ?        ? ? 
1 1 1 17  20  15 o 88.22610 6.177340  1648.756       226.9590 1974.288       
340.6718 1388.972       304.3309 96.02129 8.450643 80.43092 9.012477 15.59037 
12.35468 
1 1 1 17  20  16 o 129.2362 4.583598  3514.160       227.2168 3634.396       
419.8871 3464.372       270.1958 130.4745 7.665278 127.9979 5.028018 2.476616 
9.167195 
1 1 1 17  20  17 o 70.31264 4.681719  1055.378       132.0372 1038.553       
221.2419 1064.685       164.5549 69.73608 7.556679 70.88920 5.529068 -1.153122 
9.363439 
1 1 1 17  20  18 o 31.63193 7.135947  222.5996       107.6722 104.7004       
199.9732 270.7347       127.7754 28.45677 11.27712 34.80709 8.747203 -6.350325 
14.27189 
1 1 1 17  20  19 o 132.4948 4.474444  3747.821       226.8205 3714.522       
416.3939 3761.870       270.4706 131.6821 7.531800 133.3076 4.832660 -1.625565 
8.948889 
1 1 1 17  20  20 o 99.65063 3.904470  2065.116       147.2602 2214.724       
280.7254 2008.318       172.9691 101.8382 6.565868 97.46309 4.227166 4.375092 
7.808941 
1 1 1 17  20  21 o 75.19858 4.702040  1270.053       132.8163 1069.781       
239.7730 1358.704       159.5264 70.35039 8.118109 80.04676 4.746897 -9.696373 
9.404080 
1 1 1 17  20  22 o 29.31633 7.421717  171.1707       111.1164 110.2479       
209.2514 195.0964       131.1324 28.76944 11.49326 29.86321 9.393211 -1.093773 
14.84343 
1 1 1 17  20  23 o 64.00443 5.143435  888.4601       126.9152 877.0914       
229.2233 893.4861       152.4081 63.33578 8.620464 64.67308 5.613135 -1.337296 
10.28687 
1 1 1 17  20  24 o 32.10460 6.784222  87.01513       107.5992 508.9856       
212.3440 -58.76397      124.8092 46.65693 11.00565 17.55227 7.935889 29.10466 
13.56844 
1 1 1 17  20  25 f 52.30730 4.720019  530.0990       98.04922 836.2448       
175.1899 390.4653       118.3150 62.13848 6.715364 42.47612 6.634622 19.66236 
9.440039 
1 1 1 17  20  26 o 81.81181 4.278300  1508.954       131.3705 1297.569       
238.4971 1601.026       157.4016 76.94440 7.382905 86.67923 4.325290 -9.734833 
8.556601 
1 1 1 17  20  27 f 23.29658 6.877312  62.15557       97.87110 -42.82213      
227.1033 86.09899       108.4596 24.32860 10.86323 22.26456 8.436815 2.064039 
13.75462 
1 1 1 17  20  28 f 64.22550 5.509248  882.6066       123.3316 1001.208       
266.9432 850.4199       139.0635 65.75853 9.669140 62.69248 5.283463 3.066051 
11.01850 
1 1 1 17  20  29 o 23.47730 7.159157  11.99011       105.0663 136.0297       
233.0758 -19.64326      117.7036 29.03579 11.92477 17.91880 7.925529 11.11699 
14.31831 
1 1 1 17  20  30 o 26.19868 6.468799  157.8749       100.4749 -190.0529      
233.7341 236.7407       111.2812 20.95863 9.919590 31.43873 8.305611 -10.48009 
12.93760 
1 1 1 17  20  31 o 32.03177 7.591914  236.5922       100.0467 286.8360       
246.0934 226.6440       109.5043 33.50335 12.70472 30.56018 8.314974 2.943172 
15.18383 
1 1 1 17  20  32 o 60.05725 6.204840  876.4273       116.2950 860.2956       
262.4992 880.3668       129.7201 56.79691 11.40997 63.31758 4.879822 -6.520668 
12.40968 
1 1 1 17  20  33 o 46.04070 6.208694  517.4749       94.57053 539.2617       
209.0056 511.8660       106.0475 44.14185 11.24407 47.93955 5.268991 -3.797699 
12.41739 
1 1 1 17  20  34 o 42.60500 6.718811  443.7538       101.5563 537.0533       
218.4984 418.0440       114.6985 42.72706 11.79892 42.48294 6.430788 0.2441177 
13.43762 
1 1 1 17  20  35 o 22.94515 7.063280  80.63410       108.1659 72.92845       
248.9844 82.42669       120.0900 24.80766 11.21292 21.08263 8.592447 3.725037 
14.12656 
1 1 1 17  20  36 o 26.32267 7.541981  195.4797       122.5334 173.6940       
254.9707 202.0222       139.7265 26.07403 11.58179 26.57130 9.663751 
-0.4972725     15.08396 
1 1 1 17  20  37 f 27.92240 7.839357  151.7959       124.2787 584.2421       
259.3004 22.83238       141.6024 37.09815 13.19678 18.74664 8.465634 18.35150 
15.67871 
1 1 1 17  21  0  o 17.47180 5.366498  -16.22853      68.92699 14.73253       
121.2496 -31.01104      83.78117 20.06157 8.445969 14.88204 6.622901 5.179529 
10.73300 
1 1 1 17  21  1  o 29.63909 7.695060  100.1215       116.1252 303.8802       
230.1415 30.52432       134.5032 37.57409 12.48287 21.70410 9.001877 15.86999 
15.39012 
1 1 1 17  21  2  o 67.54597 5.655252  1003.242       156.0165 837.2633       
236.4589 1131.209       207.6241 62.26907 9.044911 72.82288 6.790956 -10.55381 
11.31050 
1 1 1 17  21  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  21  4  o 25.22047 7.464278  46.05977       123.2725 -57.14217      
243.8414 81.49081       142.8747 25.92939 11.44586 24.51155 9.584057 1.417839 
14.92856 
1 1 1 17  21  5  o 77.80312 5.707160  1190.933       176.7986 1644.827       
318.0654 987.9848       212.6827 87.55647 8.652653 68.04977 7.444345 19.50671 
11.41432 
1 1 1 17  21  6  o 30.69534 8.251244  136.9451       153.0379 23.06614       
223.8095 236.9489       209.7322 27.02069 11.43005 34.36998 11.90320 -7.349295 
16.50249 
1 1 1 17  21  7  o 47.96278 8.165895  534.7292       163.9369 638.7480       
217.5977 398.1846       249.3076 53.59456 10.04178 42.33100 12.87983 11.26356 
16.33179 
1 1 1 17  21  8  o 46.43310 8.508246  495.7368       167.1097 547.8327       
218.4452 422.2339       259.4731 49.36158 10.83582 43.50463 13.12044 5.856949 
17.01649 
1 1 1 17  21  9  o 74.28595 5.794234  1094.406       172.8419 902.3163       
210.1648 1495.847       303.8216 65.02699 7.698167 83.54491 8.662032 -18.51791 
11.58847 
1 1 1 17  21  10 f 75.86455 5.955929  1231.736       189.6514 1218.568       
264.7022 1245.625       271.8561 75.45980 8.355318 76.26929 8.490055 
-0.8094864     11.91186 
1 1 1 17  21  11 o 86.00877 5.710717  1583.625       205.5826 1616.660       
281.8191 1546.050       300.5604 87.03682 7.712380 84.98073 8.424272 2.056091 
11.42143 
1 1 1 17  21  12 o 59.53569 7.390172  795.8423       176.3715 569.7158       
250.3237 1018.758       248.5399 50.11875 12.03111 68.95262 8.585515 -18.83387 
14.78034 
1 1 1 17  21  13 o 103.7305 5.196775  2292.680       226.2691 2253.733       
315.9948 2333.664       324.1465 102.8331 7.319275 104.6278 7.379302 -1.794693 
10.39355 
1 1 1 17  21  14 o 103.9521 6.326078  2293.628       272.7201 2494.418       
426.4689 2154.707       354.7328 107.6215 9.438644 100.2829 8.425500 7.338600 
12.65216 
1 1 1 17  21  15 o 85.06753 9.531337  1560.499       340.4055 0.000000       
0.000000 1560.499       340.4055 ?        ?        85.06753 9.531337 ? ? 
1 1 1 17  21  16 f 50.73895 7.748934  584.8785       130.6733 539.6398       
303.1041 595.2061       144.8231 48.58088 14.05908 52.89702 6.521203 -4.316139 
15.49787 
1 1 1 17  21  17 o 27.78094 7.216394  139.4851       109.7655 66.10677       
191.5011 175.3887       133.9541 26.58111 10.84477 28.98078 9.523464 -2.399672 
14.43279 
1 1 1 17  21  18 o 106.2499 3.959291  2190.807       158.2285 2874.551       
317.2604 1964.426       182.5528 116.1217 6.507638 96.37807 4.511608 19.74367 
7.918583 
1 1 1 17  21  19 o 88.50900 4.183773  1615.179       141.9866 1797.279       
266.9382 1543.331       167.6738 91.64826 6.937572 85.36973 4.678240 6.278534 
8.367546 
1 1 1 17  21  20 o 41.30720 6.990773  364.4581       110.8707 449.3020       
208.5103 331.0141       130.9111 44.20749 11.21287 38.40691 8.351955 5.800575 
13.98155 
1 1 1 17  21  21 o 56.06262 6.010043  757.9988       117.5983 556.7905       
216.8965 841.7745       139.9550 49.23484 10.78824 62.89041 5.300599 -13.65557 
12.02009 
1 1 1 17  21  22 o 59.40425 5.763115  809.1182       122.5211 703.8104       
228.0618 851.8421       145.2640 55.61998 10.14251 63.18851 5.475716 -7.568531 
11.52623 
1 1 1 17  21  23 o 33.22381 6.918900  263.0482       103.0092 155.4917       
191.0220 307.1492       122.3178 29.59490 11.20186 36.85272 8.124225 -7.257814 
13.83780 
1 1 1 17  21  24 o 28.83433 6.823819  183.4223       95.01939 103.7585       
182.4913 213.0527       111.2962 27.03016 10.75363 30.63849 8.403422 -3.608328 
13.64764 
1 1 1 17  21  25 o 114.5064 4.311231  2881.579       187.0029 2701.469       
343.1291 2957.677       223.0365 111.2090 7.349174 117.8037 4.509600 -6.594673 
8.622461 
1 1 1 17  21  26 o 38.31627 7.453343  355.6104       114.6771 302.7670       
232.8499 372.5319       131.7648 36.23906 12.54288 40.39349 8.055157 -4.154430 
14.90669 
1 1 1 17  21  27 o 49.91652 6.677385  554.8550       118.4756 627.6707       
241.7850 531.8475       135.9102 50.55099 11.62760 49.28204 6.568774 1.268955 
13.35477 
1 1 1 17  21  28 o 81.66521 4.682969  1430.974       136.0894 1550.260       
283.8208 1395.361       155.0793 82.78086 8.166489 80.54955 4.585765 2.231316 
9.365937 
1 1 1 17  21  29 o 25.59204 6.945004  130.4018       102.7438 -74.08990      
238.9521 176.7832       113.8006 23.63086 10.77850 27.55323 8.761063 -3.922365 
13.89001 
1 1 1 17  21  30 o 43.79472 7.053141  490.0859       105.2928 432.8029       
244.1234 503.1776       116.7062 39.86029 12.84783 47.72915 5.824131 -7.868855 
14.10628 
1 1 1 17  21  31 o 39.72511 6.030144  528.4153       112.5090 -55.82086      
241.7120 690.0060       127.1195 23.53727 10.77615 55.91295 5.415279 -32.37568 
12.06029 
1 1 1 17  21  32 o 30.51989 6.993312  253.6882       99.92625 92.18544       
244.2162 286.1643       109.5133 26.68957 11.62714 34.35022 7.774020 -7.660650 
13.98662 
1 1 1 17  21  33 o 23.78465 6.592273  120.1281       94.83910 -3.091676      
199.1584 156.2646       107.8529 22.23472 10.04033 25.33458 8.545408 -3.099854 
13.18455 
1 1 1 17  21  34 o 20.92843 6.786103  -4.551657      118.2051 -63.25171      
251.0570 12.16726       133.9853 22.60957 10.58741 19.24730 8.491855 3.362270 
13.57221 
1 1 1 17  21  35 o 23.33314 6.708699  101.4799       118.8553 -268.3855      
256.8624 202.2467       134.0718 19.34728 9.463374 27.31900 9.511630 -7.971714 
13.41740 
1 1 1 17  21  36 o 23.86280 7.101259  139.8338       113.7382 49.21868       
258.7452 161.5367       126.6283 23.33122 10.86403 24.39439 9.147916 -1.063173 
14.20252 
1 1 1 17  21  37 o 21.40657 6.834412  55.75935       139.5180 -169.8649      
254.1107 153.1243       166.9288 19.21782 9.402966 23.59532 9.920734 -4.377504 
13.66882 
1 1 1 17  22  0  o 95.33199 3.182719  1927.855       125.8214 1923.766       
193.5108 1930.849       165.6067 95.16812 4.843225 95.49586 4.130612 
-0.3277359     6.365437 
1 1 1 17  22  1  o 109.7970 3.380166  2542.780       153.9777 2650.284       
238.7384 2466.209       201.4853 111.6957 5.091045 107.8983 4.447848 3.797440 
6.760332 
1 1 1 17  22  2  o 33.53153 8.167330  204.4274       137.2215 343.3412       
229.5546 127.1894       171.1705 39.21228 12.44051 27.85078 10.58560 11.36149 
16.33466 
1 1 1 17  22  3  o 77.96123 6.141748  1308.985       200.0878 1143.708       
275.1360 1494.517       291.5069 72.66814 9.018293 83.25432 8.339945 -10.58617 
12.28350 
1 1 1 17  22  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  22  5  o 89.65775 5.110742  1697.251       191.2307 1504.439       
255.0282 1944.913       289.0350 83.90710 7.239534 95.40839 7.215807 -11.50129 
10.22148 
1 1 1 17  22  6  o 72.03194 5.461652  1111.533       164.4215 1123.311       
222.9442 1097.488       243.4626 72.52036 7.322463 71.54352 8.105559 0.9768448 
10.92330 
1 1 1 17  22  7  o 38.07675 8.626209  318.7051       160.3121 397.2947       
205.4288 196.3034       256.3731 41.94571 11.37803 34.20780 12.96867 7.737911 
17.25242 
1 1 1 17  22  8  o 88.09789 6.127019  1668.942       217.7498 1674.551       
273.0610 1659.146       360.8725 88.58230 7.342329 87.61346 9.810792 0.9688339 
12.25404 
1 1 1 17  22  9  f 97.56919 5.751123  2075.182       229.9530 2252.339       
302.9434 1834.341       353.2210 102.8171 7.018062 92.32127 9.113093 10.49585 
11.50225 
1 1 1 17  22  10 o 35.77058 8.166605  273.5125       147.0166 374.1113       
191.7912 130.1814       228.9298 40.77314 10.96434 30.76801 12.10607 10.00513 
16.33321 
1 1 1 17  22  11 o 37.21990 8.310762  277.9107       149.4874 161.4555       
197.6627 433.5167       228.4853 30.66334 11.44301 43.77646 12.05540 -13.11312 
16.62152 
1 1 1 17  22  12 o 60.38104 7.442979  748.7336       178.4402 1017.262       
307.7815 612.7760       219.0028 68.41798 10.71503 52.34409 10.33344 16.07389 
14.88596 
1 1 1 17  22  13 f 118.1934 5.479620  2895.050       215.3008 3142.346       
495.7809 2837.574       239.0147 120.5576 9.795265 115.8291 4.915049 4.728485 
10.95924 
1 1 1 17  22  14 o 61.44782 6.798810  725.2684       135.4926 1011.094       
325.7887 665.4910       148.9888 66.95260 12.02728 55.94305 6.343493 11.00955 
13.59762 
1 1 1 17  22  15 o 116.5739 5.701955  2889.555       227.5204 2960.068       
496.4890 2870.811       255.9806 116.7420 10.12986 116.4058 5.237853 0.3361969 
11.40391 
1 1 1 17  22  16 o 87.62088 5.799819  1678.667       173.9524 1600.018       
372.3733 1700.621       196.7386 85.67292 10.35276 89.56885 5.231830 -3.895927 
11.59964 
1 1 1 17  22  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  22  18 o 55.58686 5.986672  570.6456       126.4792 923.6562       
254.2966 454.6165       145.7908 65.17688 9.293259 45.99684 7.549590 19.18004 
11.97334 
1 1 1 17  22  19 o 54.10248 5.482799  614.3958       116.2285 678.3459       
209.5284 585.9712       139.6908 55.84681 8.936460 52.35816 6.354840 3.488647 
10.96560 
1 1 1 17  22  20 o 25.14000 7.156268  74.96433       108.0904 79.05172       
198.7229 73.24696       128.8120 27.16135 11.05877 23.11865 9.085822 4.042706 
14.31254 
1 1 1 17  22  21 o 24.92330 6.580956  86.10931       107.0378 -173.3188      
195.9455 196.4495       127.7890 20.00076 9.363573 29.84583 9.249832 -9.845076 
13.16191 
1 1 1 17  22  22 o 59.78553 5.354929  856.9283       114.4350 606.3870       
198.7853 981.1108       139.9506 51.68378 9.517882 67.88728 4.910293 -16.20350 
10.70986 
1 1 1 17  22  23 o 40.74970 6.279887  420.3236       97.92160 255.9037       
183.3791 485.9065       115.8158 33.90005 11.14274 47.59936 5.795458 -13.69931 
12.55977 
1 1 1 17  22  24 o 80.29204 4.010448  1397.359       122.5968 1353.032       
225.2413 1416.019       146.1406 78.98463 6.792451 81.59945 4.265841 -2.614815 
8.020897 
1 1 1 17  22  25 o 46.50419 6.012517  509.0731       100.1287 443.8377       
191.9078 533.4746       117.3710 43.23160 10.63287 49.77678 5.616361 -6.545174 
12.02503 
1 1 1 17  22  26 o 31.99705 6.519279  273.7466       102.4286 -39.48143      
227.2522 353.6035       114.7451 24.43032 10.88885 39.56379 7.171954 -15.13347 
13.03856 
1 1 1 17  22  27 o 23.68287 6.961884  -3.139668      81.99261 228.6321       
225.9407 -38.29145      87.99092 32.57729 12.21892 14.78845 6.676022 17.78884 
13.92377 
1 1 1 17  22  28 o 40.10892 6.925179  425.2221       104.3606 280.2518       
231.8081 462.0743       116.8748 34.33127 12.45098 45.88657 6.066753 -11.55530 
13.85036 
1 1 1 17  22  29 o 28.76758 7.620674  118.8745       101.7730 338.8976       
238.6771 69.97958       112.5145 36.26320 12.68464 21.27196 8.449772 14.99123 
15.24135 
1 1 1 17  22  30 o 57.38369 5.636840  672.9250       111.6438 935.7875       
255.0044 610.5920       124.1774 62.15758 9.771800 52.60980 5.622080 9.547783 
11.27368 
1 1 1 17  22  31 o 34.94664 6.177817  378.4935       105.9906 -48.32359      
240.4178 481.4611       118.0853 23.53474 10.76341 46.35854 6.067186 -22.82380 
12.35563 
1 1 1 17  22  32 o 25.88157 6.496947  143.9081       114.7440 -352.7689      
252.5465 273.1095       128.8065 18.98656 9.311791 32.77659 9.062660 -13.79003 
12.99389 
1 1 1 17  22  33 o 44.99229 6.679062  533.9562       109.1063 486.8337       
215.5994 550.1786       126.5004 40.89856 11.86421 49.08601 6.138400 -8.187443 
13.35812 
1 1 1 17  22  34 o 19.81024 6.229571  -9.735328      111.9814 -467.7143      
261.1382 93.45667       123.9569 17.68332 8.807990 21.93716 8.811898 -4.253849 
12.45914 
1 1 1 17  22  35 o 40.78380 7.312365  532.7498       125.4017 359.8846       
263.2014 583.5143       142.6311 32.31359 12.89600 49.25401 6.897531 -16.94041 
14.62473 
1 1 1 17  22  36 o 31.44262 8.149511  214.6614       125.1148 686.3893       
272.0151 88.08466       140.9043 41.66406 13.57105 21.22118 9.026895 20.44288 
16.29902 
1 1 1 17  22  37 o 24.17429 6.865720  170.6711       117.0656 8.022552       
214.1759 239.9656       139.7960 20.71811 9.715481 27.63047 9.703704 -6.912367 
13.73144 
1 1 1 17  23  0  o 110.8053 3.143423  2605.238       144.6978 2621.449       
221.4749 2593.166       191.1294 111.0150 4.751863 110.5955 4.116338 0.4194641 
6.286846 
1 1 1 17  23  1  o 78.82284 3.408607  1317.274       112.1155 1352.220       
169.0111 1289.812       149.8272 79.70554 5.050656 77.94014 4.578787 1.765396 
6.817215 
1 1 1 17  23  2  o 117.0971 3.501594  2911.909       172.0215 2972.797       
248.9153 2856.244       238.0019 118.2497 5.013863 115.9444 4.889357 2.305374 
7.003188 
1 1 1 17  23  3  o 78.05099 5.379502  1300.657       175.0960 1112.599       
235.8918 1531.407       261.2991 71.76920 7.828809 84.33279 7.380104 -12.56359 
10.75900 
1 1 1 17  23  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  23  5  o 52.37307 6.392223  610.2300       135.7686 503.6528       
193.3131 713.9722       190.7247 47.16409 10.05984 57.58205 7.889345 -10.41796 
12.78445 
1 1 1 17  23  6  o 33.62677 8.346441  218.0528       147.0114 152.2227       
197.9040 299.1041       219.5949 30.11095 11.40049 37.14259 12.19349 -7.031647 
16.69288 
1 1 1 17  23  7  o 35.31545 7.974059  253.7864       155.5562 440.2003       
200.1819 -30.35777      247.1467 43.97361 10.88696 26.65729 11.65404 17.31631 
15.94812 
1 1 1 17  23  8  o 76.88965 6.610074  1288.169       206.1941 1311.862       
261.7610 1249.429       334.7119 78.14989 7.978067 75.62940 10.54148 2.520485 
13.22015 
1 1 1 17  23  9  o 110.5282 5.979192  2632.410       277.0084 2802.967       
391.9771 2462.249       391.5212 114.1978 8.175681 106.8586 8.727038 7.339211 
11.95838 
1 1 1 17  23  10 o 60.52045 7.007284  878.8070       129.1572 701.3183       
296.9750 920.2094       143.4324 55.14365 13.02036 65.89725 5.184430 -10.75360 
14.01457 
1 1 1 17  23  11 o 116.2314 5.308048  2897.789       216.7508 2881.510       
453.1275 2902.618       246.8203 115.3928 9.353254 117.0699 5.021767 -1.677101 
10.61610 
1 1 1 17  23  12 o 117.6845 5.404567  2994.977       228.1448 2913.951       
460.3355 3021.359       262.6739 115.9822 9.453753 119.3868 5.240606 -3.404640 
10.80913 
1 1 1 17  23  13 o 158.5276 6.158925  5484.062       368.5805 5271.292       
684.8327 5570.828       437.3214 155.3701 10.49876 161.6850 6.442464 -6.314957 
12.31785 
1 1 1 17  23  14 o 88.67763 5.751661  1746.513       165.8714 1602.886       
375.8485 1781.253       184.8464 85.63621 10.45385 91.71906 4.800346 -6.082848 
11.50332 
1 1 1 17  23  15 o 71.25910 5.099114  1039.410       134.4422 1192.055       
269.4981 988.8362       155.1229 74.27600 8.642280 68.24220 5.414319 6.033798 
10.19823 
1 1 1 17  23  16 o 130.0444 4.970746  3620.682       250.1078 3627.167       
451.1669 3617.805       300.5096 129.6190 8.290668 130.4698 5.486171 
-0.8508148     9.941492 
1 1 1 17  23  17 o 117.6777 5.021750  2963.418       220.0770 2988.569       
423.5363 2954.116       257.5811 117.4270 8.591004 117.9285 5.202551 
-0.5015030     10.04350 
1 1 1 17  23  18 o 43.64027 7.108591  390.9988       116.3624 546.1189       
227.5702 336.0845       135.4016 48.65358 11.33994 38.62696 8.575194 10.02661 
14.21718 
1 1 1 17  23  19 o 89.76850 7.596188  1741.158       286.2850 1741.158       
286.2850 0.000000       0.000000 89.76850 7.596188 ?        ?        ? ? 
1 1 1 17  23  20 o 36.44993 7.777217  275.0270       118.2161 378.6877       
226.9672 236.4362       138.4836 40.47279 12.28418 32.42707 9.541457 8.045719 
15.55443 
1 1 1 17  23  21 o 48.31924 6.200694  522.8560       105.2179 516.6088       
212.6691 524.8809       121.0743 47.12501 10.94856 49.51348 5.824379 -2.388470 
12.40139 
1 1 1 17  23  22 o 20.92255 6.410656  -20.65535      91.76464 66.90807       
181.2537 -50.83481      106.4097 25.62048 10.51795 16.22462 7.332045 9.395861 
12.82131 
1 1 1 17  23  23 o 53.83424 4.850226  573.9250       100.2314 769.2314       
194.2553 503.0619       117.0105 59.27652 7.805689 48.39195 5.759341 10.88457 
9.700453 
1 1 1 17  23  24 o 50.18924 5.235014  463.6640       98.41254 836.3581       
194.5295 335.4689       114.0893 61.76998 7.501172 38.60849 7.304376 23.16149 
10.47003 
1 1 1 17  23  25 o 83.87818 3.658262  1553.381       118.6020 1400.136       
208.0490 1627.158       144.3553 80.31589 6.170002 87.44048 3.932251 -7.124588 
7.316524 
1 1 1 17  23  26 o 78.73566 4.334755  1294.155       120.4893 1460.130       
257.1750 1247.477       136.3837 81.08150 7.554888 76.38981 4.252538 4.691689 
8.669511 
1 1 1 17  23  27 o 21.13108 6.654837  -0.2686200     98.03770 -49.01758      
225.3984 11.10576       108.8760 23.76442 10.70886 18.49775 7.903651 5.266674 
13.30967 
1 1 1 17  23  28 o 26.02608 7.267021  115.9630       98.13377 126.9238       
228.2654 113.4779       108.6908 28.51000 11.76981 23.54217 8.527018 4.967831 
14.53404 
1 1 1 17  23  29 o 48.65055 6.490963  510.3391       105.3253 675.1849       
240.6925 471.2971       117.1357 51.16672 11.48723 46.13438 6.047638 5.032337 
12.98193 
1 1 1 17  23  30 o 18.94000 6.294490  -73.08115      98.81456 -84.27957      
229.4155 -70.53036      109.4917 22.46798 10.37231 15.41201 7.134255 7.055972 
12.58898 
1 1 1 17  23  31 o 33.95621 7.931569  233.3131       113.7006 504.1361       
247.7401 161.0460       127.9747 41.72288 12.86867 26.18954 9.275587 15.53334 
15.86314 
1 1 1 17  23  32 o 28.63662 7.844292  177.1720       118.9031 278.7738       
242.4767 145.0059       136.4327 32.01939 12.49250 25.25385 9.490473 6.765545 
15.68858 
1 1 1 17  23  33 o 25.18758 7.136360  106.6994       98.03274 243.5561       
209.4587 68.31191       110.9328 30.00376 11.63037 20.37140 8.273149 9.632360 
14.27272 
1 1 1 17  23  34 o 24.74247 7.154960  135.0679       117.7638 -29.94322      
253.5438 180.4586       132.9780 23.08207 10.75044 26.40287 9.444678 -3.320803 
14.30992 
1 1 1 17  23  35 o 29.68839 7.875313  256.5679       121.2749 294.7220       
258.0582 245.7528       137.3922 29.97186 12.45223 29.40491 9.644903 0.5669498 
15.75063 
1 1 1 17  23  36 o 29.35144 7.521099  224.3325       105.8137 455.2592       
216.7946 152.1165       121.2351 35.10472 12.10731 23.59817 8.926410 11.50655 
15.04220 
1 1 1 17  24  0  o 36.67609 5.227735  306.0084       76.20440 269.4747       
124.6040 327.8373       96.31641 34.29750 8.649317 39.05466 5.874196 -4.757160 
10.45547 
1 1 1 17  24  1  o 61.40243 3.697489  822.1415       92.12717 730.2538       
145.6574 883.4119       118.9402 58.32787 5.948092 64.47699 4.393849 -6.149120 
7.394978 
1 1 1 17  24  2  o 104.2971 3.291140  2289.932       141.3812 2428.417       
225.4709 2200.199       181.4953 106.7588 5.030464 101.8354 4.245097 4.923355 
6.582280 
1 1 1 17  24  3  o 59.91018 6.342131  781.1080       149.7871 523.6265       
198.1102 1124.736       228.8643 47.76202 10.18134 72.05835 7.565103 -24.29633 
12.68426 
1 1 1 17  24  4  o 39.88639 9.195845  361.7003       150.9450 0.000000       
0.000000 361.7003       150.9450 ?        ?        39.88639 9.195845 ? ? 
1 1 1 17  24  5  f 87.71817 5.029540  1643.814       184.5296 1836.071       
274.4878 1485.272       249.2608 92.37418 7.077723 83.06216 7.147792 9.312012 
10.05908 
1 1 1 17  24  6  o 48.49791 7.661352  538.9303       152.4454 464.6015       
212.3842 617.9233       218.9464 44.85596 11.28023 52.13986 10.37022 -7.283901 
15.32270 
1 1 1 17  24  7  o 118.5153 5.179309  3001.269       222.9500 3058.963       
446.7182 2982.131       257.2836 118.5605 8.974591 118.4701 5.172785 
0.9040833E-01  10.35862 
1 1 1 17  24  8  o 129.3682 6.331470  3638.848       339.6558 3623.751       
521.5495 3649.968       447.5817 128.7815 9.646351 129.9548 8.203533 -1.173294 
12.66294 
1 1 1 17  24  9  o 100.1338 5.017744  2044.999       166.6236 2327.679       
389.0275 1981.491       184.3930 103.5380 8.949559 96.72955 4.540529 6.808449 
10.03549 
1 1 1 17  24  10 o 83.51502 5.139530  1457.062       145.8579 1566.152       
325.2239 1429.596       163.1903 84.89381 9.124886 82.13623 4.732391 2.757584 
10.27906 
1 1 1 17  24  11 o 41.47175 7.415648  429.2727       114.1144 243.8072       
269.6041 469.7516       125.9533 36.04049 13.38112 46.90301 6.396317 -10.86252 
14.83130 
1 1 1 17  24  12 o 85.33479 5.022999  1629.781       157.8445 1412.330       
296.5053 1715.777       186.4618 80.72540 8.748698 89.94418 4.937849 -9.218788 
10.04600 
1 1 1 17  24  13 f 42.30698 7.071127  411.2464       112.5723 359.6850       
227.7570 427.9147       129.4959 39.92067 12.34401 44.69329 6.901361 -4.772621 
14.14225 
1 1 1 17  24  14 o 57.62776 5.180500  679.1849       116.6015 808.9209       
214.7572 624.9530       138.8497 61.13749 8.366837 54.11802 6.111167 7.019470 
10.36100 
1 1 1 17  24  15 o 29.84772 7.657983  153.8790       116.4285 227.7302       
210.5460 121.3484       139.7379 33.58945 11.89732 26.10599 9.645342 7.483461 
15.31597 
1 1 1 17  24  16 o 96.13519 4.773020  1938.010       165.2329 2070.640       
339.3620 1896.798       189.1702 97.72678 8.271240 94.54359 4.765864 3.183189 
9.546040 
1 1 1 17  24  17 o 83.82907 4.610223  1506.741       149.7633 1506.801       
269.2556 1506.714       180.2118 83.48825 7.681753 84.16990 5.099734 
-0.6816483     9.220446 
1 1 1 17  24  18 o 77.45694 4.995964  1310.848       145.9527 1250.330       
271.0585 1335.558       173.2059 75.72153 8.526382 79.19235 5.209552 -3.470825 
9.991928 
1 1 1 17  24  19 o 54.49266 7.115729  707.0270       138.7850 589.3278       
264.7107 751.6447       162.9812 49.86021 12.62636 59.12512 6.565784 -9.264908 
14.23146 
1 1 1 17  24  20 o 34.03999 9.325759  264.3991       137.1637 0.000000       
0.000000 264.3991       137.1637 ?        ?        34.03999 9.325759 ? ? 
1 1 1 17  24  21 o 97.38101 8.449884  2082.766       345.4649 2082.766       
345.4649 0.000000       0.000000 97.38101 8.449884 ?        ?        ? ? 
1 1 1 17  24  22 f 37.65941 6.884458  368.9709       120.4963 86.23244       
227.1889 479.6363       142.1349 28.37298 11.72935 46.94584 7.211483 -18.57285 
13.76892 
1 1 1 17  24  23 o 22.13652 6.264209  -30.37545      87.91753 194.8422       
168.4198 -114.7348      103.0762 30.31371 10.65045 13.95933 6.597666 16.35437 
12.52842 
1 1 1 17  24  24 o 52.32566 5.670012  757.4780       99.74673 312.5266       
168.9235 995.6715       123.5944 36.33270 10.48944 68.31862 4.309043 -31.98592 
11.34002 
1 1 1 17  24  25 o 54.91753 4.508200  647.9459       97.05029 688.2872       
173.0771 629.4443       117.2111 55.78132 7.390467 54.05374 5.164926 1.727581 
9.016399 
1 1 1 17  24  26 o 65.79298 5.629827  968.4747       126.2432 978.1012       
273.1154 965.8590       142.3649 64.70721 10.05344 66.87875 5.070324 -2.171547 
11.25965 
1 1 1 17  24  27 o 22.29977 6.899081  -2.700228      97.07446 102.3513       
224.7812 -26.78471      107.6285 27.72300 11.57626 16.87654 7.508630 10.84645 
13.79816 
1 1 1 17  24  28 o 24.19631 6.316346  115.2907       93.99530 -100.8964      
187.8977 187.4481       108.5543 20.23452 9.358660 28.15810 8.485306 -7.923578 
12.63269 
1 1 1 17  24  29 o 24.38873 7.223586  74.71379       104.7926 114.1033       
231.0946 64.51757       117.5760 27.64519 11.65044 21.13227 8.543297 6.512924 
14.44717 
1 1 1 17  24  30 o 46.68708 7.081692  626.4511       123.8775 381.5950       
242.1532 713.2437       144.1705 36.93040 12.79014 56.44376 6.083891 -19.51336 
14.16338 
1 1 1 17  24  31 o 27.19910 7.598375  157.9007       116.3720 159.5443       
239.5484 157.3930       133.1378 28.41780 11.91334 25.98041 9.434698 2.437393 
15.19675 
1 1 1 17  24  32 o 25.31672 7.396147  123.3283       115.8275 95.31026       
242.9262 131.5721       131.7703 26.27535 11.52002 24.35810 9.279063 1.917253 
14.79229 
1 1 1 17  24  33 o 23.46649 7.102324  89.01012       116.8826 -26.32368      
251.0081 120.9421       132.0756 23.36363 10.81005 23.56935 9.214924 
-0.2057152     14.20465 
1 1 1 17  24  34 o 20.56769 6.673438  -0.8702199     117.1228 -77.66130      
248.3659 21.09034       132.8184 21.86798 10.30480 19.26741 8.482342 2.600565 
13.34688 
1 1 1 17  24  35 o 23.82069 7.374084  -6.447464      120.4333 380.4562       
255.7700 -116.6667      136.5139 32.16882 12.75197 15.47256 7.409164 16.69626 
14.74817 
1 1 1 17  24  36 o 21.10723 6.730019  36.30163       114.5011 181.7516       
211.1799 -24.26159      136.2700 24.96153 10.84238 17.25293 7.975922 7.708603 
13.46004 
1 1 1 17  25  0  o 22.97753 5.858191  86.66923       72.53944 160.1713       
117.6121 41.54245       92.15515 27.07419 8.923659 18.88087 7.592229 8.193319 
11.71638 
1 1 1 17  25  1  o 121.2251 3.286400  3139.304       166.4889 3093.614       
246.5293 3177.615       225.7431 120.3125 4.880663 122.1376 4.402366 -1.825150 
6.572800 
1 1 1 17  25  2  o 41.79538 5.031708  360.7910       83.58414 542.7309       
137.4971 254.1484       105.2676 50.10233 6.536672 33.48843 7.651423 16.61390 
10.06342 
1 1 1 17  25  3  o 22.71133 5.435667  110.3916       60.92869 32.28717       
123.2097 135.6741       70.09978 20.77635 8.616294 24.64630 6.629129 -3.869947 
10.87133 
1 1 1 17  25  4  o 66.35540 5.029464  889.2167       109.5972 1060.434       
261.4450 852.7150       120.7158 69.37620 8.976166 63.33460 4.539876 6.041595 
10.05893 
1 1 1 17  25  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  25  6  o 76.75139 5.113186  1191.908       123.1666 1400.088       
310.2125 1152.949       134.1974 79.77838 9.261794 73.72440 4.335649 6.053986 
10.22637 
1 1 1 17  25  7  o 82.45442 4.841295  1520.618       154.7535 1300.301       
265.5812 1633.880       190.4215 77.31762 8.181632 87.59123 5.178171 -10.27361 
9.682590 
1 1 1 17  25  8  o 94.54623 4.267368  1894.734       150.1042 1950.617       
290.9766 1874.470       175.2181 95.08080 7.289309 94.01168 4.439337 1.069115 
8.534737 
1 1 1 17  25  9  o 125.8324 4.570452  3412.869       235.4126 3309.281       
373.8327 3480.942       303.0480 123.9313 7.184841 127.7334 5.651035 -3.802063 
9.140904 
1 1 1 17  25  10 o 95.67906 4.008960  1955.894       150.1567 1944.104       
264.7820 1961.483       182.3060 95.18689 6.625710 96.17123 4.515198 
-0.9843369     8.017920 
1 1 1 17  25  11 o 30.35415 7.391993  175.7529       100.0604 220.4194       
211.7606 162.9135       113.5345 33.22379 11.91507 27.48450 8.751987 5.739285 
14.78399 
1 1 1 17  25  12 o 81.94934 4.537466  1430.276       138.1791 1457.551       
267.5977 1420.360       161.3551 82.09359 7.764155 81.80508 4.698115 0.2885056 
9.074932 
1 1 1 17  25  13 o 93.40330 4.859549  1886.473       170.7943 1848.603       
320.8560 1901.446       201.7531 92.25011 8.284462 94.55649 5.082180 -2.306381 
9.719098 
1 1 1 17  25  14 o 64.35808 5.182062  843.1007       129.4797 1028.971       
242.1734 768.7003       153.2178 68.77380 8.387345 59.94235 6.088308 8.831444 
10.36412 
1 1 1 17  25  15 o 92.12007 4.893730  1744.571       171.8635 2026.636       
328.9092 1638.634       201.5702 96.58378 8.111346 87.65636 5.477266 8.927414 
9.787460 
1 1 1 17  25  16 o 76.39914 5.001062  1230.115       145.0356 1327.477       
274.9996 1192.597       170.7074 78.02825 8.394626 74.77003 5.438082 3.258217 
10.00212 
1 1 1 17  25  17 o 116.0374 4.768981  2969.561       216.0645 2695.703       
372.7989 3108.082       265.1360 111.3282 7.976096 120.7465 5.230162 -9.418297 
9.537961 
1 1 1 17  25  18 o 80.25076 4.738678  1319.454       139.0388 1531.878       
284.3650 1252.715       159.3907 83.80919 8.081754 76.69232 4.950307 7.116867 
9.477356 
1 1 1 17  25  19 o 50.04360 6.729106  535.4055       127.4183 644.3281       
238.1864 491.7383       150.8118 52.53329 11.13833 47.55391 7.553881 4.979385 
13.45821 
1 1 1 17  25  20 o 87.92906 4.799428  1722.874       160.8293 1546.792       
288.3794 1802.364       193.7604 83.97291 8.179864 91.88522 5.022736 -7.912308 
9.598857 
1 1 1 17  25  21 o 27.05414 7.535648  73.12788       114.3151 225.8110       
224.1625 19.46444       132.8944 33.25922 12.22603 20.84907 8.812956 12.41015 
15.07130 
1 1 1 17  25  22 o 79.21553 5.186142  1345.333       172.4780 0.000000       
0.000000 1345.333       172.4780 ?        ?        79.21553 5.186142 ? ? 
1 1 1 17  25  23 o 36.00642 7.933047  231.9417       134.9926 532.6438       
241.2086 94.80757       162.8912 46.55764 12.19513 25.45520 10.14947 21.10244 
15.86609 
1 1 1 17  25  24 o 26.20158 6.928596  129.6525       101.2462 144.8349       
158.3580 119.1556       131.6740 27.33386 10.23402 25.06930 9.342735 2.264559 
13.85719 
1 1 1 17  25  25 o 23.44755 6.552156  89.42030       93.95186 -119.8779      
215.8069 138.3654       104.3608 21.76712 10.05303 25.12797 8.405925 -3.360855 
13.10431 
1 1 1 17  25  26 o 82.73237 4.591681  1490.153       139.4174 1554.056       
275.3935 1468.131       161.6644 82.92696 7.910046 82.53777 4.665333 0.3891907 
9.183363 
1 1 1 17  25  27 o 59.20374 5.782955  843.4298       105.7883 749.1683       
237.8431 866.6766       118.1150 55.00303 10.68091 63.40445 4.437172 -8.401421 
11.56591 
1 1 1 17  25  28 o 47.76803 6.995109  643.0554       118.7015 395.5833       
241.5807 721.8174       136.2881 38.29239 12.78934 57.24366 5.670895 -18.95127 
13.99022 
1 1 1 17  25  29 o 30.68938 5.936712  263.8945       104.5096 -223.3587      
237.8070 380.5265       116.3472 20.37520 9.762160 41.00356 6.758582 -20.62836 
11.87342 
1 1 1 17  25  30 o 32.18301 7.221191  289.8172       117.9009 80.58202       
241.7348 355.1253       135.0533 26.46869 11.54904 37.89732 8.671913 -11.42863 
14.44238 
1 1 1 17  25  31 o 53.30195 7.124444  880.6987       130.7668 454.3306       
258.1378 1027.884       151.6673 38.64003 13.22034 67.96387 5.315389 -29.32383 
14.24889 
1 1 1 17  25  32 o 32.88571 7.547186  312.6642       118.7831 202.0592       
253.1661 343.8858       134.5074 29.15726 12.23640 36.61417 8.838020 -7.456911 
15.09437 
1 1 1 17  25  33 o 30.62970 7.904860  165.0042       116.7697 528.0343       
253.8719 67.59409       131.5059 40.16122 13.11065 21.09818 8.835048 19.06304 
15.80972 
1 1 1 17  25  34 o 22.80321 7.076466  79.38235       118.3502 25.72736       
251.4565 94.65008       134.1359 23.63135 10.89023 21.97506 9.039265 1.656288 
14.15293 
1 1 1 17  25  35 f 28.12016 7.414238  254.8240       120.6406 139.7055       
257.4725 287.2075       136.5589 25.02768 11.35262 31.21264 9.539481 -6.184961 
14.82848 
1 1 1 17  25  36 o 26.74486 7.627029  234.3576       125.1531 226.7119       
272.0636 236.4098       140.9521 26.02689 11.74482 27.46283 9.733728 -1.435936 
15.25406 
1 1 1 17  26  0  o 35.89787 5.935956  251.4470       72.10600 393.9496       
170.8944 220.5830       79.53216 40.50848 10.07744 31.28726 6.275940 9.221220 
11.87191 
1 1 1 17  26  1  o 49.41616 3.278396  494.1526       60.77519 588.2241       
120.1275 461.7912       70.45754 52.21011 5.480358 46.62221 3.599612 5.587894 
6.556793 
1 1 1 17  26  2  o 21.82922 5.136894  104.6308       55.17730 33.59010       
108.8515 129.1973       64.01062 19.68872 8.127868 23.96972 6.283985 -4.280998 
10.27379 
1 1 1 17  26  3  o 86.60284 2.605617  1573.664       89.56578 1644.765       
155.7588 1538.540       109.4758 87.90617 4.220406 85.29951 3.056981 2.606659 
5.211234 
1 1 1 17  26  4  o 22.77900 5.459200  96.24231       77.90107 -211.4461      
163.8870 186.0546       88.54353 16.88743 8.094240 28.67057 7.327669 -11.78314 
10.91840 
1 1 1 17  26  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  26  6  o 89.39356 3.880340  1745.539       140.3792 1563.465       
223.9957 1863.303       180.1450 85.21484 6.261026 93.57229 4.585598 -8.357452 
7.760681 
1 1 1 17  26  7  o 43.30837 6.192741  466.7741       105.0645 276.1275       
174.2726 575.6309       131.6868 34.84424 10.80254 51.77250 6.058489 -16.92826 
12.38548 
1 1 1 17  26  8  o 83.84258 4.250387  1527.000       142.6845 1441.793       
237.0498 1575.411       178.6777 81.69424 6.911450 85.99091 4.949243 -4.296669 
8.500773 
1 1 1 17  26  9  f 53.17017 5.860692  688.9747       109.2790 492.4485       
199.2469 773.5251       130.6889 46.11321 10.52032 60.22714 5.168538 -14.11393 
11.72138 
1 1 1 17  26  10 o 61.88826 4.958323  858.6663       112.1785 759.6561       
214.0344 896.1647       131.7194 58.87995 8.658391 64.89658 4.834471 -6.016624 
9.916645 
1 1 1 17  26  11 o 98.65224 5.103673  2112.691       209.3774 2170.458       
280.0879 2039.522       315.2255 100.4072 6.644320 96.89726 7.748737 3.509949 
10.20735 
1 1 1 17  26  12 o 37.20678 7.251025  287.1386       103.1327 385.7255       
215.1125 257.7141       117.5198 40.69823 11.86526 33.71534 8.338171 6.982895 
14.50205 
1 1 1 17  26  13 o 76.31117 4.764472  1127.450       142.7658 1645.241       
266.2110 918.4088       169.1469 87.19675 7.271880 65.42559 6.157967 21.77116 
9.528945 
1 1 1 17  26  14 o 72.62047 5.124111  1214.905       141.6116 942.8936       
242.8065 1355.129       174.3323 65.53065 8.825451 79.71029 5.209363 -14.17963 
10.24822 
1 1 1 17  26  15 o 73.20099 4.657238  1198.606       133.1240 1020.830       
225.0793 1294.254       165.0968 68.47846 7.828934 77.92352 5.046510 -9.445053 
9.314476 
1 1 1 17  26  16 o 97.63141 4.962048  2067.633       180.3877 2049.195       
345.1945 2074.560       211.5742 96.64921 8.507199 98.61360 5.110308 -1.964394 
9.924096 
1 1 1 17  26  17 o 38.31824 7.854078  302.9544       120.9151 445.4243       
239.5433 254.2419       140.0693 43.27648 12.49005 33.36000 9.526003 9.916477 
15.70816 
1 1 1 17  26  18 f 64.59910 5.003345  850.9438       118.5054 1022.157       
242.8867 797.4528       135.7610 68.13946 8.490359 61.05874 5.296003 7.080715 
10.00669 
1 1 1 17  26  19 f 31.94202 7.292940  236.5686       108.0586 134.3808       
217.5885 270.0219       124.4960 29.57765 11.75007 34.30640 8.641971 -4.728750 
14.58588 
1 1 1 17  26  20 o 64.34372 5.368244  764.1279       128.6880 1254.691       
269.2398 618.8733       146.5065 75.25338 8.521860 53.43407 6.530701 21.81931 
10.73649 
1 1 1 17  26  21 o 44.98013 6.690531  452.5236       110.5996 489.1931       
218.8646 439.9484       128.1684 45.02899 11.52773 44.93126 6.794436 
0.9772873E-01  13.38106 
1 1 1 17  26  22 o 32.96488 7.750189  244.1991       114.5825 228.5569       
236.5519 248.9944       130.9733 33.23706 12.49541 32.69271 9.172042 0.5443535 
15.50038 
1 1 1 17  26  23 o 27.55110 7.570750  111.1788       109.2852 218.5937       
226.8962 78.73248       124.7033 32.40697 12.22545 22.69523 8.933278 9.711737 
15.14150 
1 1 1 17  26  24 o 25.46607 11.54890  -65.30054      266.3062 0.000000       
0.000000 -65.30054      266.3062 ?        ?        25.46607 11.54890 ? ? 
1 1 1 17  26  25 o 25.23378 7.821545  30.30892       140.3821 8.869378       
286.9370 37.05554       160.9615 27.72118 12.30330 22.74639 9.661011 4.974794 
15.64309 
1 1 1 17  26  26 o 33.57769 6.685687  310.2491       116.2695 -19.57678      
227.0988 427.4151       135.3547 24.28751 10.85351 42.86787 7.809920 -18.58035 
13.37137 
1 1 1 17  26  27 o 43.51044 7.182462  457.9114       115.5962 481.6272       
237.7148 450.5665       132.2911 42.32449 12.51602 44.69640 7.049836 -2.371918 
14.36492 
1 1 1 17  26  28 o 34.98080 7.516034  320.6737       114.3356 262.6564       
233.4941 338.9727       131.1329 32.58924 12.37020 37.37237 8.540565 -4.783123 
15.03207 
1 1 1 17  26  29 o 62.23793 6.383159  1008.101       132.6591 786.8075       
257.3260 1088.203       154.8179 54.23488 11.63690 70.24099 5.249907 -16.00611 
12.76632 
1 1 1 17  26  30 o 21.95611 6.665754  41.37458       113.3018 -199.5186      
234.3651 114.8467       129.4321 20.24113 9.696320 23.67109 9.149343 -3.429955 
13.33151 
1 1 1 17  26  31 f 23.06281 7.108626  60.29018       113.6883 41.41595       
241.7941 65.64709       128.8155 24.89791 11.16079 21.22772 8.807213 3.670187 
14.21725 
1 1 1 17  26  32 o 27.28031 6.921935  196.5148       102.1988 99.99172       
198.8595 231.1583       119.1357 24.73804 10.62934 29.82258 8.869606 -5.084534 
13.84387 
1 1 1 17  26  33 o 23.18873 7.026738  92.10168       117.8519 -54.63170      
254.1623 132.2912       133.0158 22.53008 10.56850 23.84739 9.263210 -1.317310 
14.05348 
1 1 1 17  26  34 o 46.30944 7.547751  581.4965       127.1770 736.0612       
267.2025 536.2269       144.6067 46.09367 13.15547 46.52521 7.403227 
-0.4315414     15.09550 
1 1 1 17  26  35 o 22.14265 6.709382  98.97970       120.6207 -185.5553      
261.6393 175.7766       135.9274 19.52318 9.549771 24.76213 9.426827 -5.238949 
13.41876 
1 1 1 17  27  0  o 64.60651 3.385635  863.3630       77.87479 974.8198       
164.5349 831.1871       88.40367 66.72791 5.873158 62.48511 3.369883 4.242805 
6.771270 
1 1 1 17  27  1  o 71.34991 3.654469  1111.524       93.46213 1080.141       
188.3488 1121.776       107.6507 70.11302 6.398602 72.58680 3.532485 -2.473778 
7.308937 
1 1 1 17  27  2  o 52.94115 4.101696  586.4338       79.75031 657.1424       
160.5335 563.2657       91.89149 54.56768 7.007308 51.31461 4.265357 3.253071 
8.203392 
1 1 1 17  27  3  o 46.05023 3.579310  461.6834       57.62870 445.6350       
120.2269 466.4705       65.66377 45.21091 6.334018 46.88956 3.335575 -1.678654 
7.158621 
1 1 1 17  27  4  o 22.69322 5.217647  113.5933       52.16136 69.22243       
115.7605 124.8974       58.42922 21.81449 8.600525 23.57196 5.909849 -1.757477 
10.43529 
1 1 1 17  27  5  o 22.58530 6.436008  63.01643       87.63464 75.09309       
160.0914 57.84933       104.7173 24.56324 9.953051 20.60737 8.162449 3.955862 
12.87202 
1 1 1 17  27  6  o 41.68969 7.953879  404.6565       140.2841 356.0712       
180.5064 478.7592       222.9242 38.80262 10.72813 44.57676 11.74580 -5.774136 
15.90776 
1 1 1 17  27  7  o 51.45664 5.152812  552.5976       105.4568 658.1940       
187.1213 503.4478       127.6616 54.65219 8.155239 48.26110 6.300632 6.391094 
10.30562 
1 1 1 17  27  8  o 47.78984 5.763418  519.3387       107.9408 473.2145       
175.4601 547.4234       136.9146 45.26954 9.531549 50.31014 6.482091 -5.040604 
11.52684 
1 1 1 17  27  9  o 94.63540 4.295119  1949.599       154.6424 1876.362       
283.8729 1980.504       184.4071 92.83619 7.283292 96.43461 4.554762 -3.598419 
8.590239 
1 1 1 17  27  10 o 78.43368 4.588197  1307.025       134.9061 1377.484       
259.5113 1280.933       157.9216 79.37443 7.787476 77.49293 4.854010 1.881500 
9.176394 
1 1 1 17  27  11 o 44.46728 6.164459  373.5249       105.2407 659.7026       
203.6060 269.1927       122.9368 54.62139 8.878693 34.31316 8.554007 20.30822 
12.32892 
1 1 1 17  27  12 o 134.7014 4.453826  3867.844       234.5990 4029.555       
418.9120 3793.955       283.1682 136.1089 7.330903 133.2940 5.060053 2.814911 
8.907653 
1 1 1 17  27  13 o 88.58387 4.441988  1593.908       151.2890 1938.747       
287.8523 1462.297       177.8311 94.43475 7.260374 82.73299 5.119766 11.70175 
8.883976 
1 1 1 17  27  14 o 43.39779 6.954288  327.9829       115.5240 752.8925       
236.0465 194.1508       132.4736 57.18069 10.19945 29.61488 9.456200 27.56581 
13.90858 
1 1 1 17  27  15 o 19.51861 6.363769  -88.52811      112.3368 -190.5262      
214.4734 -49.96608      131.8734 20.69147 9.706449 18.34575 8.232562 2.345726 
12.72754 
1 1 1 17  27  16 o 52.70246 5.502238  542.5241       112.9708 801.0955       
214.5897 443.3846       132.8746 60.23656 8.485351 45.16836 7.006948 15.06820 
11.00448 
1 1 1 17  27  17 o 84.71759 3.974379  1451.307       126.3989 1749.772       
250.1014 1348.922       146.4831 89.84044 6.630792 79.59473 4.383533 10.24570 
7.948758 
1 1 1 17  27  18 f 63.89831 4.875560  901.3068       112.1225 863.0731       
223.4469 914.1733       129.6226 62.37148 8.533149 65.42513 4.719079 -3.053654 
9.751120 
1 1 1 17  27  19 o 52.77923 6.784007  755.6104       125.7915 401.2149       
230.9687 905.0593       149.9876 40.70536 12.39942 64.85310 5.508656 -24.14773 
13.56801 
1 1 1 17  27  20 o 50.83323 6.400363  551.5751       116.0625 674.7993       
237.3610 512.8558       133.0533 53.14761 11.00879 48.51885 6.531851 4.628761 
12.80073 
1 1 1 17  27  21 o 50.07627 7.140981  565.2313       128.0804 632.6311       
261.7596 544.0148       146.8623 50.40505 12.43100 49.74750 7.031698 0.6575508 
14.28196 
1 1 1 17  27  22 o 29.33980 7.482329  182.0031       108.1554 159.5475       
220.1679 189.1457       124.1704 29.91476 11.83981 28.76484 9.152050 1.149916 
14.96466 
1 1 1 17  27  23 o 36.01514 7.642769  302.8982       112.7375 332.5291       
232.1450 293.7533       128.9664 36.77619 12.53708 35.25409 8.744669 1.522106 
15.28554 
1 1 1 17  27  24 o 54.53007 6.837488  792.7470       130.6069 513.6066       
240.6341 909.3201       155.5053 44.54314 12.41150 64.51701 5.741058 -19.97387 
13.67498 
1 1 1 17  27  25 o 67.36401 5.544259  1061.031       151.2283 833.2313       
226.1798 1245.206       203.3721 59.80120 9.008759 74.92682 6.465099 -15.12561 
11.08852 
1 1 1 17  27  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  27  27 o 31.21294 6.813268  198.5694       137.4578 -234.6236      
223.9143 460.5493       174.1306 19.55239 9.393189 42.87350 9.871701 -23.32111 
13.62654 
1 1 1 17  27  28 o 24.98636 7.362359  58.29190       111.2688 223.7430       
228.9957 7.156222       127.3077 30.76604 12.10702 19.20669 8.380780 11.55935 
14.72472 
1 1 1 17  27  29 o 20.78473 6.726013  -30.56031      111.5625 2.996161       
231.6389 -40.69489      127.2994 24.06355 10.84919 17.50592 7.953116 6.557631 
13.45203 
1 1 1 17  27  30 o 26.85286 7.624691  89.90069       113.6551 341.3138       
242.1986 18.90301       128.7063 34.25892 12.69015 19.44681 8.455982 14.81212 
15.24938 
1 1 1 17  27  31 o 21.84964 6.546580  58.76810       107.9979 -85.49904      
194.7377 122.8471       129.7849 19.98967 9.353235 23.70960 9.162306 -3.719923 
13.09316 
1 1 1 17  27  32 o 36.79118 7.696018  391.1530       119.0577 380.5883       
250.1154 394.2482       135.3791 34.33403 12.86031 39.24833 8.457374 -4.914307 
15.39204 
1 1 1 17  27  33 o 37.82650 7.280431  451.2312       120.9375 306.6270       
262.0077 490.3812       136.3293 30.74869 12.63826 44.90432 7.231393 -14.15564 
14.56086 
1 1 1 17  27  34 o 29.33740 7.898956  215.8866       108.6312 457.1992       
260.4964 165.0877       119.5195 34.05907 13.02557 24.61573 8.939156 9.443342 
15.79791 
1 1 1 17  27  35 o 41.87387 8.149711  559.0366       131.4790 724.3464       
287.0706 515.1554       147.9035 40.52740 13.93653 43.22034 8.452476 -2.692936 
16.29942 
1 1 1 17  28  0  o 28.33321 5.410475  152.6214       60.13361 291.2303       
121.6961 107.8455       69.16772 34.82028 8.407594 21.84613 6.812145 12.97415 
10.82095 
1 1 1 17  28  1  o 46.62445 4.135738  471.0282       72.95867 493.7829       
137.7426 462.1548       86.01574 46.94759 6.988374 46.30131 4.424922 0.6462822 
8.271476 
1 1 1 17  28  2  f 30.09090 5.162081  249.5615       69.49111 46.97309       
136.2385 320.8044       80.79111 21.69451 9.032641 38.48728 4.999970 -16.79276 
10.32416 
1 1 1 17  28  3  o 39.03070 5.376915  334.5201       77.34473 377.0961       
150.1411 319.1399       90.23984 39.77509 9.172098 38.28632 5.614044 1.488770 
10.75383 
1 1 1 17  28  4  o 55.66751 3.685127  599.8568       70.21623 798.2000       
162.3540 554.2216       77.87617 60.32051 6.410902 51.01451 3.636068 9.306007 
7.370255 
1 1 1 17  28  5  o 40.16720 6.015783  317.2495       88.25293 523.9080       
180.5441 252.3671       101.1626 47.19030 9.446350 33.14410 7.451514 14.04619 
12.03157 
1 1 1 17  28  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  28  7  o 47.28326 5.711205  488.1810       100.3685 544.8077       
188.7648 465.8616       118.5092 48.23898 9.661590 46.32755 6.093038 1.911430 
11.42241 
1 1 1 17  28  8  o 75.34214 4.130314  1111.512       122.0543 1573.140       
227.8733 925.7936       144.5358 85.06213 6.380847 65.62215 5.246215 19.43999 
8.260628 
1 1 1 17  28  9  o 25.78153 6.863228  120.1143       92.04288 113.4936       
183.8010 122.3304       106.3369 27.18761 10.79973 24.37544 8.472397 2.812168 
13.72646 
1 1 1 17  28  10 o 56.27426 5.039570  655.3434       109.2378 788.9304       
206.5198 603.4485       128.7187 59.65867 8.245354 52.88985 5.796826 6.768822 
10.07914 
1 1 1 17  28  11 o 33.27299 6.986447  256.8858       98.37604 229.1198       
192.3060 266.7274       114.4909 32.44056 11.38228 34.10541 8.104655 -1.664845 
13.97289 
1 1 1 17  28  12 o 31.20171 7.311473  197.5609       100.2864 269.9275       
200.5437 173.4293       115.8064 34.50192 11.65256 27.90149 8.834497 6.600433 
14.62295 
1 1 1 17  28  13 o 77.85986 4.268935  1303.557       132.1819 1329.542       
227.2203 1290.265       162.5096 78.09151 6.930498 77.62821 4.986324 0.4632950 
8.537870 
1 1 1 17  28  14 o 94.02235 4.261890  1863.292       154.3949 2031.031       
286.0341 1794.325       183.4088 96.43134 7.065138 91.61338 4.768506 4.817955 
8.523780 
1 1 1 17  28  15 o 45.91875 6.711109  445.8629       109.0847 562.7628       
232.5497 412.8840       123.5170 48.30060 11.59704 43.53691 6.757565 4.763691 
13.42222 
1 1 1 17  28  16 o 28.57145 7.563241  123.5349       108.2250 257.7208       
221.9586 81.68274       123.9589 34.21753 12.20586 22.92537 8.934621 11.29217 
15.12648 
1 1 1 17  28  17 o 98.71860 4.655837  2134.418       168.8691 2099.611       
328.7404 2146.895       196.8221 97.26976 8.050007 100.1674 4.680241 -2.897682 
9.311674 
1 1 1 17  28  18 o 61.80235 4.829884  784.9906       112.9913 959.2971       
220.7111 723.0824       131.5351 65.68983 8.002895 57.91487 5.409694 7.774963 
9.659768 
1 1 1 17  28  19 o 40.76068 6.861952  330.2680       106.2742 576.2428       
210.4727 246.0950       123.1223 49.05447 10.52337 32.46689 8.809325 16.58757 
13.72390 
1 1 1 17  28  20 o 32.41896 7.252123  248.1960       103.8428 204.5442       
209.3986 262.4322       119.5830 31.33622 11.76120 33.50170 8.488063 -2.165482 
14.50425 
1 1 1 17  28  21 o 65.70727 5.923009  1046.900       130.1285 859.9168       
259.3561 1109.807       150.4341 59.68773 10.74115 71.72681 4.995579 -12.03908 
11.84602 
1 1 1 17  28  22 o 22.08560 6.826311  -47.77315      104.1792 139.3912       
214.5974 -105.4841      119.1631 28.70901 11.56851 15.46220 7.250083 13.24681 
13.65262 
1 1 1 17  28  23 o 26.65167 7.728465  60.35130       114.8920 251.7435       
256.2573 12.19949       128.5347 33.46421 12.88639 19.83913 8.535670 13.62508 
15.45693 
1 1 1 17  28  24 o 26.53651 7.555128  87.47977       121.1933 228.2663       
221.7438 27.51178       144.7207 31.74935 12.05389 21.32366 9.111728 10.42568 
15.11026 
1 1 1 17  28  25 o 45.31495 7.515996  527.4558       139.3908 473.9650       
218.7571 564.0195       180.8619 42.38264 11.84182 48.24725 9.259168 -5.864613 
15.03199 
1 1 1 17  28  26 o 19.20002 6.396645  -137.9086      132.1129 -217.7811      
214.0026 -88.72311      167.9341 19.28181 9.243691 19.11824 8.844345 0.1635685 
12.79329 
1 1 1 17  28  27 o 35.35650 8.191533  337.2951       140.1301 303.6633       
226.2079 358.2382       178.5059 33.82424 12.29645 36.88876 10.82599 -3.064518 
16.38307 
1 1 1 17  28  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  28  29 o 28.97959 7.835618  160.8427       137.3716 368.2232       
221.8385 31.86159       174.9508 35.69173 12.25338 22.26744 9.769464 13.42429 
15.67124 
1 1 1 17  28  30 f 53.79945 6.964519  949.4978       131.8130 384.8759       
251.8067 1162.613       154.7019 35.35279 12.96165 72.24610 5.100379 -36.89331 
13.92904 
1 1 1 17  28  31 f 27.75167 7.796577  160.6652       116.3982 314.2603       
247.1109 116.8689       131.9537 32.18191 12.59995 23.32144 9.186275 8.860472 
15.59315 
1 1 1 17  28  32 o 26.78919 7.090209  196.8610       116.8586 -32.04543      
251.8451 259.6684       131.9198 22.76401 10.64562 30.81437 9.367766 -8.050360 
14.18042 
1 1 1 17  28  33 f 28.94384 6.979153  88.50816       101.6749 571.2744       
218.9447 -44.22758      114.8048 42.03004 11.88060 15.85764 7.327050 26.17240 
13.95831 
1 1 1 17  28  34 o 21.79363 7.068681  -5.490236      117.5722 281.7812       
255.4123 -82.72890      132.4381 27.90163 12.01870 15.68563 7.444183 12.21600 
14.13736 
1 1 1 17  29  0  o 30.14193 4.457395  215.4979       54.00834 174.8551       
86.71334 241.2569       69.03337 27.09554 7.411273 33.18832 4.954443 -6.092787 
8.914789 
1 1 1 17  29  1  o 27.37785 5.169116  201.0672       65.72398 36.09425       
136.0912 251.2478       75.05711 20.92604 8.885472 33.82966 5.284638 -12.90362 
10.33823 
1 1 1 17  29  2  o 61.24949 3.494607  755.3289       82.16439 974.5120       
158.2766 674.4731       96.13223 66.52511 5.666986 55.97386 4.090767 10.55125 
6.989214 
1 1 1 17  29  3  f 28.82870 6.096841  177.5634       70.06303 243.1737       
146.1099 157.9719       79.84123 31.59442 9.910649 26.06298 7.103867 5.531431 
12.19368 
1 1 1 17  29  4  o 53.05422 4.164018  644.5588       82.77782 553.0517       
150.0709 684.5753       99.24035 49.65328 7.198958 56.45516 4.187027 -6.801876 
8.328036 
1 1 1 17  29  5  o 52.78121 4.724018  631.3032       89.39433 587.3109       
177.0220 646.3622       103.5705 50.75941 8.306763 54.80301 4.501454 -4.043602 
9.448036 
1 1 1 17  29  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  29  7  o 62.73363 4.441362  882.2908       106.6713 810.7280       
190.6609 914.8981       128.6990 60.25358 7.537023 65.21369 4.700646 -4.960114 
8.882724 
1 1 1 17  29  8  f 44.77753 5.885945  446.1357       92.97601 485.9510       
190.2746 433.6471       106.5646 44.87148 10.31064 44.68358 5.680494 0.1879005 
11.77189 
1 1 1 17  29  9  o 43.53665 5.619609  356.3632       91.40682 629.8422       
185.3874 268.5245       105.0658 52.90202 8.346973 34.17128 7.526490 18.73075 
11.23922 
1 1 1 17  29  10 o 85.07231 4.050438  1591.124       131.5579 1513.402       
239.0347 1624.896       157.5694 82.97086 6.862090 87.17377 4.305337 -4.202919 
8.100877 
1 1 1 17  29  11 o 58.10487 5.030326  749.8477       106.6861 730.6126       
208.7459 756.6481       124.1210 56.89376 8.739254 59.31597 4.984192 -2.422207 
10.06065 
1 1 1 17  29  12 o 78.63382 4.819998  1450.730       139.0714 1141.001       
253.3801 1584.265       166.3710 71.27866 8.467089 85.98897 4.608462 -14.71030 
9.639996 
1 1 1 17  29  13 o 64.75089 4.712918  857.9066       118.3895 1080.954       
222.7323 770.0749       139.7688 69.82906 7.597452 59.67272 5.578990 10.15635 
9.425837 
1 1 1 17  29  14 o 55.38874 5.193741  660.1996       112.7359 728.8489       
202.7089 629.4581       135.6492 56.95785 8.476963 53.81963 6.003405 3.138222 
10.38748 
1 1 1 17  29  15 f 59.18944 6.095782  881.0149       121.6236 630.5163       
230.8758 977.2321       143.0877 50.99758 11.09280 67.38130 5.058059 -16.38372 
12.19156 
1 1 1 17  29  16 o 17.17526 5.715868  -97.25580      91.12846 -143.5094      
183.8241 -82.18503      104.9296 19.40213 9.080821 14.94839 6.944296 4.453735 
11.43174 
1 1 1 17  29  17 o 35.57137 6.949869  313.6863       103.0624 242.2188       
198.1512 340.1900       120.6688 32.66180 11.54453 38.48094 7.741225 -5.819145 
13.89974 
1 1 1 17  29  18 o 71.58675 4.928098  1177.438       126.6023 1038.068       
246.6345 1227.300       147.5211 67.59531 8.690770 75.57819 4.649205 -7.982872 
9.856195 
1 1 1 17  29  19 o 80.35849 5.068211  1493.334       149.9541 1299.277       
279.8110 1571.523       177.6131 75.38186 8.841358 85.33512 4.957563 -9.953262 
10.13642 
1 1 1 17  29  20 o 44.42966 6.652300  459.2397       107.6078 479.1874       
215.8238 452.6403       124.1383 43.56874 11.59267 45.29057 6.528587 -1.721825 
13.30460 
1 1 1 17  29  21 o 37.29306 7.275074  320.5775       105.6098 389.1147       
214.7598 298.7170       121.2885 39.00947 11.97134 35.57665 8.270060 3.432819 
14.55015 
1 1 1 17  29  22 o 20.67439 6.424724  -3.782741      107.0566 -203.0800      
213.3620 63.27600       123.7639 19.74647 9.407948 21.60232 8.752075 -1.855848 
12.84945 
1 1 1 17  29  23 o 24.37005 7.177530  82.15907       111.1385 29.44509       
226.8008 98.81712       127.4952 25.36362 11.12563 23.37648 9.071282 1.987141 
14.35506 
1 1 1 17  29  24 o 25.81360 7.087530  131.2922       112.4481 -6.646129      
213.6520 184.1416       132.2467 23.67206 10.55424 27.95515 9.462573 -4.283087 
14.17506 
1 1 1 17  29  25 o 47.24753 7.417717  569.7294       141.1082 568.2775       
223.9939 570.6848       181.6944 46.28479 11.55124 48.21027 9.309076 -1.925488 
14.83543 
1 1 1 17  29  26 o 22.52927 7.107765  1.932709       135.0006 -102.8208      
235.6796 53.08932       164.6981 22.22836 10.35745 22.83019 9.736764 
-0.6018333     14.21553 
1 1 1 17  29  27 o 58.88671 7.488638  888.9269       162.0136 901.0630       
300.7387 883.9645       192.3044 56.15298 13.00246 61.62045 7.433364 -5.467464 
14.97728 
1 1 1 17  29  28 o 21.25569 6.960715  -55.78967      141.7701 -259.4930      
280.2693 14.25373       164.3463 21.26689 10.28258 21.24448 9.384819 
0.2240753E-01  13.92143 
1 1 1 17  29  29 o 48.61821 8.233355  682.1684       157.9522 628.9487       
300.6132 702.4647       185.6438 43.46196 14.26661 53.77446 8.222911 -10.31250 
16.46671 
1 1 1 17  29  30 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  29  31 o 40.05371 8.071001  535.1411       149.6803 343.8312       
306.5597 595.0245       171.5141 32.21836 13.49045 47.88907 8.864088 -15.67071 
16.14200 
1 1 1 17  29  32 o 35.93710 7.263847  423.7676       119.8142 254.5610       
260.6725 469.0899       134.9095 28.88580 12.28227 42.98841 7.758847 -14.10261 
14.52769 
1 1 1 17  29  33 o 28.02488 7.153830  258.1078       122.0807 40.39521       
253.5672 323.8002       139.2865 22.87547 10.69160 33.17427 9.507827 -10.29880 
14.30766 
1 1 1 17  29  34 o 24.67661 7.545957  123.9086       118.5677 369.8976       
259.0400 58.71312       133.3576 29.76790 12.42845 19.58532 8.561505 10.18258 
15.09191 
1 1 1 17  30  0  o 19.22731 4.687446  80.86590       45.91228 65.86488       
72.29548 91.00515       59.43652 18.47913 6.915604 19.97550 6.329535 -1.496363 
9.374891 
1 1 1 17  30  1  o 23.01474 5.432705  73.04591       60.57322 235.5534       
118.4341 15.47820       70.49033 30.74566 8.753096 15.28382 6.437428 15.46184 
10.86541 
1 1 1 17  30  2  o 20.29658 5.364604  82.78996       61.86937 -20.78053      
130.9592 112.5479       70.19707 18.48810 8.252460 22.10505 6.856587 -3.616949 
10.72921 
1 1 1 17  30  3  f 36.95239 5.274469  311.1422       70.84008 334.9445       
140.7537 303.0677       81.97974 36.76549 9.145322 37.13929 5.257678 
-0.3738022     10.54894 
1 1 1 17  30  4  o 62.93036 3.849869  890.0655       90.97842 822.7022       
168.0423 917.9984       108.2092 60.53456 6.612053 65.32616 3.945466 -4.791607 
7.699737 
1 1 1 17  30  5  o 36.44785 5.704339  308.1513       77.71700 316.9529       
151.9049 305.0307       90.45126 35.69964 9.828990 37.19604 5.792138 -1.496403 
11.40868 
1 1 1 17  30  6  o 18.54354 7.670652  33.90804       97.25884 0.000000       
0.000000 33.90804       97.25884 ?        ?        18.54354 7.670652 ? ? 
1 1 1 17  30  7  o 105.9107 4.460311  2593.838       167.2248 2252.279       
330.5924 2711.282       193.8544 99.44963 7.917914 112.3717 4.109033 -12.92210 
8.920623 
1 1 1 17  30  8  o 30.46039 6.927780  197.2436       92.32307 291.7046       
176.0217 161.3959       108.4353 34.38596 10.89219 26.53483 8.563687 7.851128 
13.85556 
1 1 1 17  30  9  o 34.58533 6.638446  303.8938       96.08375 217.7417       
183.9363 336.2251       112.6797 30.92435 11.10330 38.24631 7.279598 -7.321959 
13.27689 
1 1 1 17  30  10 o 63.21215 4.484260  904.4777       109.9339 808.1064       
190.3652 952.6980       134.6571 59.99305 7.558016 66.43126 4.828119 -6.438210 
8.968519 
1 1 1 17  30  11 o 22.86696 6.682912  -11.45583      93.01758 201.4391       
194.9134 -74.24009      105.8484 30.53788 11.36971 15.19603 7.026728 15.34185 
13.36582 
1 1 1 17  30  12 f 26.11728 6.854566  141.7506       97.81063 16.58295       
205.0166 178.6356       111.2931 24.42931 10.64773 27.80525 8.635172 -3.375935 
13.70913 
1 1 1 17  30  13 o 42.64826 5.995502  293.0506       103.4479 854.5657       
207.8951 108.2650       119.2608 61.50671 8.050871 23.78981 8.886375 37.71690 
11.99100 
1 1 1 17  30  14 o 27.46483 6.906285  168.9727       101.4823 17.12178       
208.9273 215.8623       116.0980 24.64102 10.74432 30.28864 8.680254 -5.647615 
13.81257 
1 1 1 17  30  15 o 54.70105 6.391859  770.4431       119.7023 545.1865       
226.4162 857.8282       141.0221 46.53352 11.61366 62.86858 5.342871 -16.33506 
12.78372 
1 1 1 17  30  16 o 45.96395 6.360838  586.3506       109.9407 279.2031       
194.7369 730.0474       133.1982 33.99470 11.48262 57.93319 5.476358 -23.93849 
12.72168 
1 1 1 17  30  17 o 31.51414 7.564905  175.2228       107.2510 391.0949       
220.8175 108.5752       122.6952 39.13835 12.16509 23.88994 8.995644 15.24841 
15.12981 
1 1 1 17  30  18 o 26.81050 7.156610  133.9390       100.1868 183.5994       
193.9404 115.8628       117.0085 29.60144 11.26281 24.01957 8.832746 5.581871 
14.31322 
1 1 1 17  30  19 o 22.27648 6.974724  -33.87186      106.5474 116.8062       
230.1252 -74.98569      120.2079 28.23108 11.74587 16.32189 7.524736 11.90919 
13.94945 
1 1 1 17  30  20 o 44.09557 6.608017  584.1649       113.1577 210.8703       
223.7790 712.4075       131.1625 31.11238 12.02936 57.07875 5.473389 -25.96637 
13.21603 
1 1 1 17  30  21 o 67.97168 5.103047  986.5989       130.5267 1180.215       
255.4626 918.1955       151.8433 71.27200 8.537477 64.67136 5.592483 6.600632 
10.20609 
1 1 1 17  30  22 o 32.38651 7.735343  253.0653       116.3038 272.3894       
223.8274 245.9181       136.1232 33.14147 12.21357 31.63156 9.495831 1.509909 
15.47069 
1 1 1 17  30  23 o 42.44895 7.782817  449.6794       121.4183 498.9434       
267.7149 436.9219       136.2355 41.89434 13.44938 43.00355 7.836008 -1.109207 
15.56563 
1 1 1 17  30  24 o 24.85007 7.424175  83.19613       120.1971 91.02233       
238.5135 80.53204       139.1593 26.92924 11.60723 22.77091 9.259898 4.158327 
14.84835 
1 1 1 17  30  25 o 31.85594 8.155634  264.9929       137.0680 193.7561       
265.6490 290.8392       160.0133 30.27020 12.60872 33.44168 10.34783 -3.171484 
16.31127 
1 1 1 17  30  26 o 31.40083 8.245214  258.2991       140.2214 206.4742       
269.7758 277.4828       164.1348 30.36444 12.68083 32.43721 10.54186 -2.072771 
16.49043 
1 1 1 17  30  27 o 64.64674 7.944414  1125.309       179.1406 1084.967       
349.9628 1139.633       208.5325 59.33261 14.21440 69.96088 7.099691 -10.62827 
15.88883 
1 1 1 17  30  28 o 36.16713 8.054426  404.4908       146.1239 215.2499       
285.6804 471.5440       170.0525 30.01549 12.81310 42.31877 9.763168 -12.30328 
16.10885 
1 1 1 17  30  29 o 37.76704 8.309132  456.3427       155.1356 292.6006       
286.5834 524.2137       184.5071 31.60296 13.12569 43.93111 10.19230 -12.32815 
16.61826 
1 1 1 17  30  30 o 22.00214 7.250373  -26.99186      136.4183 52.92625       
289.0973 -49.88448      154.7281 25.55574 11.73572 18.44853 8.517301 7.107203 
14.50075 
1 1 1 17  30  31 o 23.41308 7.530306  49.53065       136.0616 141.2233       
292.4558 24.20174       153.7097 26.66166 12.09628 20.16450 8.972299 6.497166 
15.06061 
1 1 1 17  30  32 o 23.76231 11.22748  26.86838       298.2948 26.86838       
298.2948 0.000000       0.000000 23.76231 11.22748 ?        ?        ? ? 
1 1 1 17  30  33 o 31.08992 8.801194  259.8071       146.0764 761.6224       
324.6608 132.4326       163.5683 39.23306 14.66055 22.94677 9.742302 16.28629 
17.60239 
1 1 1 17  31  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  31  1  o 24.65754 5.039155  163.0256       59.49802 37.74682       
119.0904 204.6970       68.68427 19.56494 8.309879 29.75013 5.702476 -10.18519 
10.07831 
1 1 1 17  31  2  o 24.72461 5.804616  119.1411       64.53474 225.1774       
126.3141 81.68610       75.07217 29.74841 9.191587 19.70082 7.091474 10.04759 
11.60923 
1 1 1 17  31  3  o 21.45395 5.761555  91.07708       68.03288 82.04111       
125.0662 94.87463       81.07824 22.00001 8.845391 20.90790 7.385195 1.092110 
11.52311 
1 1 1 17  31  4  o 46.50015 4.509806  460.7455       79.23435 555.7017       
154.3415 426.7642       92.32973 48.92802 7.513568 44.07228 4.989960 4.855736 
9.019612 
1 1 1 17  31  5  o 22.42289 5.787925  11.34850       72.38041 255.5185       
144.5173 -70.40803      83.62473 31.80120 9.832770 13.04458 6.108759 18.75662 
11.57585 
1 1 1 17  31  6  o 47.10998 5.928797  612.2448       95.66989 357.9987       
180.3767 711.7632       112.8510 37.04896 10.88563 57.17099 4.701654 -20.12204 
11.85759 
1 1 1 17  31  7  o 56.39760 6.577666  758.4361       151.5158 658.6461       
203.1587 883.5091       227.4434 51.68333 9.719986 61.11187 8.864798 -9.428539 
13.15533 
1 1 1 17  31  8  o 96.46686 3.869468  2098.028       149.7160 1829.359       
240.8120 2267.307       191.1484 90.56941 6.333117 102.3643 4.447780 -11.79488 
7.738935 
1 1 1 17  31  9  o 34.27573 6.180670  323.5367       91.23805 129.0084       
187.5720 383.8270       104.4240 26.89089 10.82397 41.66058 5.970297 -14.76968 
12.36134 
1 1 1 17  31  10 o 48.99308 5.840922  556.0149       102.2556 569.7461       
199.4060 551.1158       119.1085 47.90723 10.21626 50.07893 5.665116 -2.171703 
11.68184 
1 1 1 17  31  11 o 23.40702 6.793214  65.58623       98.39906 123.4130       
182.4242 41.85781       116.8563 26.61606 10.69053 20.19797 8.384725 6.418093 
13.58643 
1 1 1 17  31  12 o 32.38531 6.997878  267.8174       99.60759 171.2970       
212.1820 295.1010       112.8107 29.35804 11.62195 35.41258 7.798173 -6.054541 
13.99576 
1 1 1 17  31  13 o 33.71393 7.199850  269.2068       101.4666 298.9378       
200.2447 258.9360       117.6951 34.52840 11.64387 32.89946 8.471811 1.628937 
14.39970 
1 1 1 17  31  14 o 37.99821 6.364516  413.4232       109.1964 101.9580       
204.6299 537.4274       129.1167 26.71969 11.09400 49.27672 6.241106 -22.55703 
12.72903 
1 1 1 17  31  15 o 27.97813 7.248806  116.2321       97.56653 315.4846       
208.3670 60.27744       110.4194 35.27604 11.87767 20.68023 8.312741 14.59581 
14.49761 
1 1 1 17  31  16 o 28.48085 7.171603  124.7600       102.4917 339.2314       
197.6993 45.93250       119.8558 36.39756 11.54486 20.56413 8.511395 15.83343 
14.34321 
1 1 1 17  31  17 o 33.95277 7.097713  253.6748       98.26404 375.1107       
192.7607 211.0375       114.2194 38.21123 11.26140 29.69431 8.642391 8.516922 
14.19543 
1 1 1 17  31  18 o 33.18800 7.523713  282.2088       114.6548 200.5642       
233.5336 308.1382       131.6081 30.73488 12.18457 35.64111 8.829564 -4.906233 
15.04743 
1 1 1 17  31  19 o 39.89424 6.791368  422.3121       109.4075 292.4239       
207.1983 472.5287       128.8324 33.90165 11.82240 45.88683 6.687410 -11.98518 
13.58274 
1 1 1 17  31  20 o 48.93177 7.226305  693.0879       121.8246 418.6295       
263.2910 767.8534       137.4196 38.82056 13.34710 59.04298 5.543721 -20.22242 
14.45261 
1 1 1 17  31  21 o 46.18260 6.792535  575.9753       113.2721 415.0694       
223.2169 631.7803       131.4551 39.02147 12.25157 53.34373 5.869689 -14.32226 
13.58507 
1 1 1 17  31  22 o 21.09781 6.920052  -78.66410      114.6268 48.23923       
255.3458 -110.6916      128.2784 26.39393 11.67384 15.80170 7.434372 10.59223 
13.84010 
1 1 1 17  31  23 o 59.94189 5.411470  764.2208       127.2786 1055.776       
236.5924 645.4774       150.9889 66.63820 8.456655 53.24558 6.754333 13.39262 
10.82294 
1 1 1 17  31  24 o 25.36380 7.576322  100.5453       135.9728 -9.861124      
255.4693 144.1844       160.6125 24.71539 11.23862 26.01221 10.16347 -1.296824 
15.15264 
1 1 1 17  31  25 f 35.80787 8.931468  356.1495       155.1324 410.1162       
306.6155 337.5817       179.8506 36.44827 14.08328 35.16746 10.98844 1.280807 
17.86294 
1 1 1 17  31  26 f 55.80228 7.641577  858.4308       155.5992 750.9210       
289.4344 902.1326       184.5338 49.41691 13.55061 62.18764 7.067942 -12.77073 
15.28315 
1 1 1 17  31  27 o 53.00316 7.964216  894.4332       166.6018 519.1361       
305.1202 1053.852       198.8629 39.03316 14.27216 66.97315 7.072517 -27.93999 
15.92843 
1 1 1 17  31  28 o 41.42782 6.901999  570.6750       154.4686 10.49673       
283.7838 806.5231       184.1369 24.99151 11.53683 57.86413 7.579706 -32.87262 
13.80400 
1 1 1 17  31  29 o 24.80706 7.480139  121.3403       134.9849 -83.95335      
300.0248 173.4428       151.1466 23.51757 11.18161 26.09654 9.938895 -2.578970 
14.96028 
1 1 1 17  31  30 o 27.14160 8.231860  143.7758       139.8405 370.3955       
305.6152 83.76337       157.2703 32.04354 13.44584 22.23965 9.500711 9.803890 
16.46372 
1 1 1 17  31  31 o 21.39511 7.080527  9.236699       142.6169 -125.0761      
320.2427 42.46471       159.2842 22.28347 10.82591 20.50675 9.128808 1.776718 
14.16105 
1 1 1 17  31  32 o 22.36670 7.439969  37.08188       142.8619 186.1805       
326.8250 1.863691       158.8408 25.76363 12.06713 18.96977 8.706146 6.793859 
14.87994 
1 1 1 17  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  32  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  32  2  o 26.25980 5.748659  160.9101       64.18888 204.2479       
123.2588 144.7836       75.18904 28.09501 9.135365 24.42458 6.980932 3.670427 
11.49732 
1 1 1 17  32  3  o 40.36211 4.587307  335.1146       71.45084 487.7410       
138.1718 279.4031       83.47887 45.52092 7.229851 35.20329 5.648256 10.31763 
9.174614 
1 1 1 17  32  4  o 37.58668 5.533077  347.9065       74.41191 326.3568       
150.5501 354.8730       85.59880 35.18061 9.821875 39.99274 5.098091 -4.812130 
11.06615 
1 1 1 17  32  5  o 59.26890 4.765386  917.5475       96.14874 545.4219       
164.6857 1109.984       118.4281 46.97039 8.677572 71.56741 3.941490 -24.59702 
9.530771 
1 1 1 17  32  6  o 20.78504 5.961186  60.80902       85.53696 -76.60826      
159.3091 116.4716       101.3915 18.61771 8.613342 22.95237 8.243380 -4.334661 
11.92237 
1 1 1 17  32  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  32  8  o 19.16441 5.773105  0.9854847      91.23600 -241.6883      
173.1327 94.28486       107.3512 16.35096 7.948849 21.97785 8.374412 -5.626883 
11.54621 
1 1 1 17  32  9  o 28.13335 6.363955  205.7934       93.06219 23.60111       
184.8233 267.6735       107.7129 22.89956 10.04410 33.36713 7.817659 -10.46756 
12.72791 
1 1 1 17  32  10 o 37.68100 6.715244  303.7290       89.37647 465.6549       
202.8544 264.7236       99.56093 41.90261 11.27978 33.45939 7.290038 8.443226 
13.43049 
1 1 1 17  32  11 o 24.09019 5.994639  129.1288       87.69769 -180.8283      
199.6637 203.2195       97.61802 19.06494 9.088753 29.11546 7.819038 -10.05052 
11.98928 
1 1 1 17  32  12 o 21.90538 6.770486  15.96585       102.0880 74.41651       
208.1727 -2.542117      117.1409 25.54194 10.92164 18.26882 8.004731 7.273121 
13.54097 
1 1 1 17  32  13 o 32.58268 7.203320  248.4811       99.70165 315.4558       
195.8545 225.0543       115.8337 34.76517 11.51552 30.40018 8.657019 4.364996 
14.40664 
1 1 1 17  32  14 o 46.35729 6.519210  620.4332       113.9236 298.5168       
206.4310 761.4151       136.6108 33.95039 11.80421 58.76419 5.537238 -24.81380 
13.03842 
1 1 1 17  32  15 o 40.82146 6.785236  301.6561       103.9407 729.0847       
223.4369 183.6154       117.4192 53.94043 10.23704 27.70250 8.908465 26.23793 
13.57047 
1 1 1 17  32  16 o 53.30731 6.538918  779.5503       114.5510 514.3383       
228.6672 868.4037       132.3562 43.59384 12.08327 63.02078 5.002435 -19.42694 
13.07784 
1 1 1 17  32  17 o 21.60870 6.409792  49.88326       99.21243 -103.4558      
193.1667 104.8274       115.6290 20.21956 9.404199 22.99784 8.712220 -2.778278 
12.81958 
1 1 1 17  32  18 o 27.79215 7.185833  180.3448       106.7345 126.3181       
198.2480 202.3974       126.6583 26.78094 10.99811 28.80336 9.251291 -2.022413 
14.37167 
1 1 1 17  32  19 o 29.84522 7.252894  219.0434       104.3808 196.1045       
201.7616 227.4267       121.9722 29.33891 11.40600 30.35153 8.962196 -1.012617 
14.50579 
1 1 1 17  32  20 f 37.03091 7.336136  384.5806       114.9222 252.6849       
244.7907 421.8694       130.1575 31.90503 12.52955 42.15678 7.634521 -10.25174 
14.67227 
1 1 1 17  32  21 o 19.52968 6.229624  -33.05930      109.4193 -249.5795      
214.1272 43.45984       127.2939 18.54851 8.971603 20.51085 8.645414 -1.962339 
12.45925 
1 1 1 17  32  22 o 19.19645 6.117281  -50.46107      111.3333 -371.3182      
221.9747 57.38363       128.6907 17.30031 8.520082 21.09260 8.780248 -3.792292 
12.23456 
1 1 1 17  32  23 o 28.75100 7.205380  216.1347       114.8279 45.28610       
231.4562 271.9136       132.2507 24.92366 11.05732 32.57833 9.241518 -7.654669 
14.41076 
1 1 1 17  32  24 o 47.16048 8.310038  610.6995       150.2749 667.1918       
295.5240 590.9975       174.5232 45.73842 14.04446 48.58255 8.887068 -2.844124 
16.62008 
1 1 1 17  32  25 o 29.32234 7.921272  226.9392       142.9553 62.49714       
265.7470 293.9026       169.5823 25.96852 11.66906 32.67617 10.71537 -6.707645 
15.84254 
1 1 1 17  32  26 f 33.08932 8.625751  320.0313       152.2483 334.9436       
275.1168 313.4485       182.7888 33.04232 13.18535 33.13632 11.12479 
-0.9399414E-01 17.25150 
1 1 1 17  32  27 o 47.30470 7.854326  733.9382       157.1739 426.0152       
301.3167 849.0395       184.2222 35.13476 13.86826 59.47464 7.377874 -24.33988 
15.70865 
1 1 1 17  32  28 o 27.81961 8.255057  139.1051       134.1923 405.1843       
298.7193 71.83384       150.2009 33.82587 13.64123 21.81334 9.300583 12.01252 
16.51011 
1 1 1 17  32  29 o 23.41455 7.494745  70.00465       137.7467 34.72985       
310.5484 78.64469       153.6932 24.94774 11.69890 21.88136 9.371263 3.066378 
14.98949 
1 1 1 17  32  30 o 28.85442 8.499418  205.8968       138.8614 528.1092       
317.7361 129.8251       154.3857 34.40923 13.99230 23.29961 9.652763 11.10962 
16.99884 
1 1 1 17  32  31 o 29.98095 8.619835  135.0199       143.5291 849.6384       
335.3140 -25.28495      158.8137 41.65840 14.98808 18.30350 8.518441 23.35490 
17.23967 
1 1 1 17  32  32 o 26.33713 8.273692  37.88918       144.2031 707.2896       
336.8426 -112.3223      159.5643 36.27494 14.54479 16.39933 7.890815 19.87561 
16.54738 
1 1 1 17  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  33  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  33  3  o 20.25654 5.363056  89.17001       63.94493 -10.12354      
127.1713 122.7699       73.97710 18.01035 8.083198 22.50274 7.050631 -4.492390 
10.72611 
1 1 1 17  33  4  o 25.81743 6.197384  153.7726       74.21322 215.0954       
139.1796 129.4104       87.72485 28.48623 9.707439 23.14864 7.706873 5.337591 
12.39477 
1 1 1 17  33  5  o 23.68175 5.850901  137.9645       75.10461 34.42221       
144.3921 176.3678       87.93638 20.63676 8.964659 26.72674 7.521108 -6.089987 
11.70180 
1 1 1 17  33  6  o 29.19787 6.239191  218.4813       77.13221 194.6666       
160.8468 225.5931       87.89786 27.81278 10.33375 30.58297 6.994545 -2.770191 
12.47838 
1 1 1 17  33  7  o 21.07944 8.638726  68.96569       122.0603 0.000000       
0.000000 68.96569       122.0603 ?        ?        21.07944 8.638726 ? ? 
1 1 1 17  33  8  o 22.36072 6.342515  91.32474       88.47630 55.37420       
156.8082 108.1153       107.1640 22.20673 9.486700 22.51470 8.420959 
-0.3079662     12.68503 
1 1 1 17  33  9  o 46.29374 5.829854  508.8522       95.22389 538.2172       
190.6855 499.0962       109.9094 45.30887 10.26100 47.27861 5.537214 -1.969746 
11.65971 
1 1 1 17  33  10 o 23.20672 6.575397  98.21134       86.53320 84.12766       
185.2931 102.1397       97.86017 24.47090 10.37821 21.94255 8.076890 2.528349 
13.15079 
1 1 1 17  33  11 o 48.06340 5.515650  534.3953       92.29676 575.8966       
187.6271 521.1467       106.0099 47.58419 9.727900 48.54262 5.201689 
-0.9584274     11.03130 
1 1 1 17  33  12 o 22.54992 6.563656  76.95868       88.91508 87.13707       
182.2195 73.77783       101.8654 24.56503 10.34853 20.53479 8.076778 4.030241 
13.12731 
1 1 1 17  33  13 o 54.49004 6.455188  783.4645       124.9452 590.2595       
225.5182 869.0367       150.0856 46.57917 11.56969 62.40092 5.728871 -15.82175 
12.91038 
1 1 1 17  33  14 o 32.93785 7.221067  273.1964       104.0769 300.3340       
192.2448 261.9449       123.7862 33.50303 11.40891 32.37267 8.855058 1.130356 
14.44213 
1 1 1 17  33  15 o 39.43359 6.937658  361.9225       103.7125 496.3212       
204.5173 315.3960       120.3326 42.91028 11.22455 35.95689 8.156829 6.953388 
13.87532 
1 1 1 17  33  16 f 32.88107 7.071007  272.5739       101.5933 297.7642       
180.6101 260.9143       122.8758 33.45045 11.05829 32.31168 8.815374 1.138771 
14.14201 
1 1 1 17  33  17 o 24.23558 6.744165  117.9867       100.4821 -25.81284      
209.4298 160.9877       114.5247 22.50279 10.21733 25.96836 8.805751 -3.465569 
13.48833 
1 1 1 17  33  18 o 44.73521 6.916436  533.7300       113.2702 449.8339       
227.1680 561.4901       130.6731 39.65100 12.34166 49.81942 6.247533 -10.16842 
13.83287 
1 1 1 17  33  19 o 24.12821 7.238723  44.99615       114.1804 204.3026       
222.8970 -11.67875      132.9483 29.50044 11.83035 18.75598 8.345016 10.74446 
14.47745 
1 1 1 17  33  20 o 42.91367 7.130555  455.6328       113.5969 524.2587       
233.0751 434.2526       130.0944 42.61123 12.32748 43.21610 7.170244 
-0.6048698     14.26111 
1 1 1 17  33  21 o 33.48863 7.388560  262.0459       104.6827 418.5220       
204.8327 206.7281       121.7889 38.38984 11.67339 28.58743 9.060643 9.802410 
14.77712 
1 1 1 17  33  22 o 18.51405 6.104306  -61.87635      106.4501 -144.6980      
207.7620 -32.39463      123.9569 19.65169 9.325186 17.37642 7.879793 2.275270 
12.20861 
1 1 1 17  33  23 o 34.63387 7.897442  343.9343       127.7506 301.9762       
244.0706 359.7669       149.9285 32.34753 12.55134 36.92020 9.588650 -4.572666 
15.79488 
1 1 1 17  33  24 o 29.38571 8.254729  222.1437       143.0968 233.6960       
273.9102 217.8073       167.8186 30.06184 12.67710 28.70958 10.57608 1.352259 
16.50946 
1 1 1 17  33  25 o 25.73874 7.939632  120.1385       146.5225 10.60302       
331.9417 146.6455       163.2917 26.11579 12.21647 25.36169 10.14440 0.7540989 
15.87926 
1 1 1 17  33  26 o 25.03461 7.572782  118.3000       144.7188 -71.17099      
285.4715 183.8353       167.8916 23.32302 11.00723 26.74619 10.40331 -3.423176 
15.14556 
1 1 1 17  33  27 o 37.14576 9.442365  474.4204       176.6531 550.7456       
367.8684 451.5448       201.3932 36.11226 14.92688 38.17926 11.56811 -2.066998 
18.88473 
1 1 1 17  33  28 o 24.95264 7.566529  144.8434       138.3231 7.088082       
299.8934 182.0695       155.8965 24.05121 11.33062 25.85407 10.03127 -1.802853 
15.13306 
1 1 1 17  33  29 o 22.98702 7.300686  95.66531       136.4564 -22.65486      
305.5974 125.1314       152.5041 23.02516 11.04016 22.94887 9.555884 
0.7628822E-01  14.60137 
1 1 1 17  33  30 o 26.13172 8.237128  147.7485       152.4227 488.9667       
323.8878 50.68281       172.7473 31.59295 13.56970 20.67048 9.341540 10.92247 
16.47426 
1 1 1 17  34  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  34  3  o 24.00408 5.739041  141.3695       61.40791 161.3333       
131.1107 135.7594       69.50259 24.70063 9.299398 23.30754 6.728117 1.393091 
11.47808 
1 1 1 17  34  4  o 22.25396 5.870971  114.8523       67.95221 109.5173       
137.9509 116.5615       78.08215 22.67380 9.219875 21.83411 7.270977 0.8396950 
11.74194 
1 1 1 17  34  5  o 38.79253 5.327698  322.1089       80.89998 559.8223       
148.5662 221.9106       96.45465 48.03704 7.366562 29.54802 7.698782 18.48902 
10.65540 
1 1 1 17  34  6  o 19.13263 5.790682  40.02250       80.93050 -54.12594      
158.7260 73.09706       94.07809 18.60530 8.603764 19.65995 7.752627 -1.054655 
11.58136 
1 1 1 17  34  7  o 37.84644 5.533510  406.2039       85.42664 191.4120       
141.3461 529.8132       107.2261 27.16707 9.735389 48.52581 5.263185 -21.35874 
11.06702 
1 1 1 17  34  8  o 25.83873 6.632886  154.2753       89.94630 218.6870       
151.5765 119.2663       111.7479 28.68902 10.10141 22.98844 8.598969 5.700577 
13.26577 
1 1 1 17  34  9  o 33.00803 7.790674  270.1034       131.0811 138.9232       
166.4609 484.2175       212.6674 25.35073 10.19972 40.66533 11.77897 -15.31460 
15.58135 
1 1 1 17  34  10 o 29.80189 6.413278  241.3629       90.88432 147.6708       
160.1382 285.8798       110.3839 25.65048 10.11475 33.95330 7.887478 -8.302814 
12.82656 
1 1 1 17  34  11 o 37.86003 6.516551  391.2332       99.30558 299.2352       
189.8988 425.8611       116.5053 32.68822 11.32586 43.03185 6.448767 -10.34363 
13.03310 
1 1 1 17  34  12 o 28.66901 7.025992  190.1275       89.91210 263.0143       
193.2450 169.9894       101.5765 31.11539 11.36001 26.22264 8.270934 4.892752 
14.05198 
1 1 1 17  34  13 o 43.33499 6.200094  410.2286       97.82681 630.0517       
198.0671 339.3018       112.5074 49.16117 9.944057 37.50882 7.408130 11.65236 
12.40019 
1 1 1 17  34  14 o 32.43580 7.144852  226.5172       96.64311 429.5204       
197.6051 162.6949       110.7983 39.07679 11.36562 25.79480 8.661307 13.28199 
14.28970 
1 1 1 17  34  15 o 36.78381 7.448611  314.0433       112.7814 539.7989       
214.6052 227.9035       132.5631 43.84840 11.51107 29.71921 9.456350 14.12918 
14.89722 
1 1 1 17  34  16 o 27.99950 6.945553  108.3715       100.9587 405.1544       
195.3282 0.1825919      117.9334 37.91207 11.37368 18.08693 7.975107 19.82514 
13.89111 
1 1 1 17  34  17 o 31.21437 7.495116  230.8838       107.4816 360.7886       
205.8588 182.2002       126.0226 35.41054 11.80597 27.01819 9.237215 8.392351 
14.99023 
1 1 1 17  34  18 o 31.63205 6.372498  292.2981       111.6712 -47.55573      
214.9736 417.8977       130.6872 21.87023 10.07508 41.39388 7.805616 -19.52365 
12.74500 
1 1 1 17  34  19 o 20.25324 6.367124  -7.533575      99.43408 81.81229       
183.2756 -44.80234      118.3695 23.92936 10.24043 16.57712 7.569322 7.352236 
12.73425 
1 1 1 17  34  20 o 36.92088 6.616854  387.4961       104.6849 247.1812       
196.4757 443.1216       123.7069 30.20422 11.38142 43.63753 6.752349 -13.43331 
13.23371 
1 1 1 17  34  21 o 32.35787 7.181672  295.6980       109.7492 224.8340       
198.3580 326.9623       131.7534 29.14856 11.31404 35.56717 8.848622 -6.418610 
14.36334 
1 1 1 17  34  22 o 79.20387 5.204479  1544.665       156.9543 1346.948       
273.8899 1641.343       191.5208 73.03006 8.932961 85.37769 5.343091 -12.34763 
10.40896 
1 1 1 17  34  23 o 32.50358 8.567405  265.3540       124.6824 453.1476       
319.1046 231.5186       135.4497 35.65419 14.20890 29.35298 9.576479 6.301207 
17.13481 
1 1 1 17  34  24 o 32.07832 9.061571  271.3464       158.7302 513.9542       
335.8860 201.5874       180.1108 36.60493 14.58088 27.55172 10.76319 9.053205 
18.12314 
1 1 1 17  34  25 o 31.40769 8.469391  301.3253       146.6022 323.9908       
289.9103 293.5381       169.9302 31.28298 13.10983 31.53240 10.72635 
-0.2494278     16.93878 
1 1 1 17  34  26 o 51.88978 8.655872  793.4587       172.2806 1030.285       
321.4905 698.0520       204.0530 54.01312 14.04718 49.76644 10.11796 4.246681 
17.31174 
1 1 1 17  34  27 o 20.86340 7.027073  -40.16990      145.4012 -11.55816      
295.8349 -49.28296      166.9589 23.24692 11.07679 18.47987 8.650076 4.767056 
14.05415 
1 1 1 17  34  28 o 21.08533 7.056674  4.142540       138.6972 -5.509805      
316.8668 6.430168       154.2598 23.15802 11.13721 19.01265 8.668862 4.145365 
14.11335 
1 1 1 17  34  29 o 25.09565 7.920240  153.9280       140.0918 343.0943       
318.9031 108.6939       155.9445 28.26743 12.73797 21.92386 9.416212 6.343569 
15.84048 
1 1 1 17  35  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  35  4  o 20.14344 5.035461  99.37504       64.94665 -108.7931      
136.8073 159.9390       73.79201 15.39539 7.383018 24.89148 6.849417 -9.496092 
10.07092 
1 1 1 17  35  5  o 18.15960 5.639758  -12.36611      69.74364 144.9517       
149.3232 -56.26047      78.87561 23.75345 9.617604 12.56575 5.893146 11.18770 
11.27952 
1 1 1 17  35  6  o 60.93626 4.351551  876.7244       97.32118 876.1240       
187.6481 876.9453       113.8266 59.17896 7.552625 62.69355 4.324562 -3.514595 
8.703102 
1 1 1 17  35  7  o 23.16116 6.101709  134.4768       84.82588 -10.26783      
173.7598 179.7652       97.19451 20.07668 9.168775 26.24565 8.053383 -6.168966 
12.20342 
1 1 1 17  35  8  o 24.89602 7.238770  141.9722       116.3703 147.1875       
138.6509 129.5425       214.0492 24.49104 9.468888 25.30099 10.95168 
-0.8099518     14.47754 
1 1 1 17  35  9  o 24.47098 6.316211  146.4875       80.75258 149.6586       
145.8697 145.0863       96.96668 24.86083 9.691483 24.08112 8.102670 0.7797108 
12.63242 
1 1 1 17  35  10 o 24.05467 6.489510  91.17738       85.83078 260.5854       
164.0296 27.30364       100.7202 30.35656 10.52540 17.75278 7.594131 12.60378 
12.97902 
1 1 1 17  35  11 o 21.33476 6.355378  69.12679       91.79740 64.62025       
167.0561 71.07615       109.8721 22.38819 9.682759 20.28132 8.234531 2.106869 
12.71076 
1 1 1 17  35  12 o 29.40091 7.012142  221.8207       95.75087 270.2082       
180.0300 202.7338       113.0695 30.83783 10.99347 27.96399 8.707711 2.873838 
14.02428 
1 1 1 17  35  13 o 32.95961 5.788258  309.8725       101.4075 16.21004       
170.9331 469.3619       125.9702 21.16292 9.437794 44.75630 6.704010 -23.59338 
11.57652 
1 1 1 17  35  14 o 25.50725 6.832153  120.0445       103.2724 279.2176       
169.1649 25.47853       130.3896 31.51339 10.70217 19.50111 8.495690 12.01228 
13.66431 
1 1 1 17  35  15 o 35.53304 6.784992  364.4434       113.9108 185.6900       
181.2978 481.0379       146.4214 27.28169 10.76091 43.78438 8.267235 -16.50269 
13.56998 
1 1 1 17  35  16 o 39.14201 6.720097  443.5427       112.0752 285.6862       
199.6256 516.2010       135.4340 31.46010 11.54015 46.82391 6.889395 -15.36381 
13.44019 
1 1 1 17  35  17 o 21.18179 6.695314  4.905652       112.1726 91.15215       
203.2483 -32.87091      134.5140 24.50768 10.64091 17.85590 8.128963 6.651781 
13.39063 
1 1 1 17  35  18 o 41.44503 6.783999  410.1369       111.2711 652.6853       
198.5029 299.0038       134.3660 49.37897 9.924290 33.51108 9.251977 15.86790 
13.56800 
1 1 1 17  35  19 o 33.42498 7.466147  327.6055       116.4533 260.7379       
226.3599 351.6734       135.8034 30.20115 11.98872 36.64880 8.901908 -6.447647 
14.93229 
1 1 1 17  35  20 o 22.81542 7.027871  48.46136       110.1670 168.6395       
221.1286 8.784245       127.0581 26.99713 11.38782 18.63372 8.239026 8.363411 
14.05574 
1 1 1 17  35  21 o 24.48920 7.010226  134.9687       113.5402 3.164760       
226.3543 179.2805       131.2455 22.73752 10.41759 26.24088 9.383329 -3.503361 
14.02045 
1 1 1 17  35  22 o 33.28980 7.528915  317.4314       113.8161 348.8447       
206.9840 303.8163       136.2667 33.28008 11.79540 33.29953 9.359856 
-0.1945496E-01 15.05783 
1 1 1 17  35  23 o 21.68300 7.042537  18.72991       121.3990 38.74730       
273.2212 13.80586       135.5102 24.36682 11.27575 18.99917 8.440779 5.367649 
14.08507 
1 1 1 17  35  24 o 24.79416 7.812490  113.8818       144.0996 149.1712       
313.2150 104.4070       162.2955 26.69460 12.24057 22.89371 9.711255 3.800882 
15.62498 
1 1 1 17  35  25 o 30.29929 8.632174  331.4608       170.9014 263.5414       
325.8930 357.2239       200.7143 28.20853 12.78505 32.39006 11.60173 -4.181534 
17.26435 
1 1 1 17  35  26 o 19.09572 6.379542  -68.61489      139.1783 -409.6627      
280.7451 42.51390       160.2573 17.93207 8.959918 20.25937 9.083728 -2.327301 
12.75908 
1 1 1 17  35  27 o 18.13311 6.327653  -181.3540      141.0229 -56.28098      
277.3004 -224.9862      163.7843 21.37738 10.31448 14.88885 7.332692 6.488539 
12.65531 
1 1 1 17  35  28 o 20.36525 7.017238  -71.77332      145.5560 110.9209       
325.3177 -117.5015      162.7560 24.27243 11.57843 16.45807 7.931356 7.814369 
14.03448 
1 1 1 17  36  5  o 20.86137 5.735648  109.5210       70.81680 69.70248       
135.4586 124.4970       83.07349 19.99611 8.684584 21.72662 7.494573 -1.730509 
11.47130 
1 1 1 17  36  6  o 42.43566 5.537699  416.7414       84.22047 626.8383       
175.9986 354.3424       95.91527 46.55765 9.333202 38.31367 5.962865 8.243973 
11.07540 
1 1 1 17  36  7  o 19.04040 5.417339  54.83197       81.19688 -255.6276      
172.9946 142.5504       91.95502 15.01539 7.424974 23.06542 7.890501 -8.050031 
10.83468 
1 1 1 17  36  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 17  36  9  o 25.00080 5.992729  179.2120       93.69948 -111.7978      
196.7813 264.5383       106.5544 18.55845 8.888959 31.44315 8.039753 -12.88470 
11.98546 
1 1 1 17  36  10 o 21.09691 6.062219  80.01853       77.84216 148.3969       
142.7024 51.05354       92.87712 24.12761 9.537463 18.06621 7.485907 6.061398 
12.12444 
1 1 1 17  36  11 o 23.13806 6.273311  93.46510       82.14951 241.8507       
150.4633 30.44782       98.05383 28.81883 10.07224 17.45729 7.481151 11.36155 
12.54662 
1 1 1 17  36  12 o 33.62997 6.379406  277.9162       84.35107 400.6468       
162.2847 232.4852       98.73650 37.28250 10.11279 29.97744 7.779382 7.305061 
12.75881 
1 1 1 17  36  13 o 23.89940 6.647527  97.03028       92.85060 257.3427       
171.2922 30.32641       110.4917 29.53968 10.70406 18.25912 7.885524 11.28057 
13.29505 
1 1 1 17  36  14 o 41.78597 6.288684  470.1646       105.6684 420.1144       
171.7333 500.6588       134.0478 38.02796 10.44236 45.54399 7.010513 -7.516029 
12.57737 
1 1 1 17  36  15 o 30.25483 7.409114  267.6965       112.8706 245.8571       
201.9135 277.6228       136.1257 28.92694 11.37325 31.58273 9.498897 -2.655790 
14.81823 
1 1 1 17  36  16 o 54.83972 5.359665  716.8386       118.9415 837.3014       
201.3061 652.2294       147.4271 57.38954 8.354978 52.28990 6.715533 5.099640 
10.71933 
1 1 1 17  36  17 o 27.77445 7.081045  219.3443       113.4874 99.66620       
191.6464 283.9753       140.8360 23.79975 10.33313 31.74915 9.684589 -7.949400 
14.16209 
1 1 1 17  36  18 o 28.51439 7.387578  198.1627       109.9294 362.8132       
198.0343 124.8311       132.1614 33.81895 11.57943 23.20982 9.177257 10.60914 
14.77516 
1 1 1 17  36  19 o 22.10816 6.750802  26.66348       101.5346 227.6109       
202.3318 -40.97279      117.3850 28.00940 11.25519 16.20693 7.457481 11.80247 
13.50160 
1 1 1 17  36  20 o 17.58262 5.952715  -89.23077      109.2759 -155.5118      
223.4310 -68.39156      125.2822 19.24430 9.278694 15.92095 7.459566 3.323345 
11.90543 
1 1 1 17  36  21 o 20.14003 6.646218  -35.51392      119.1128 80.29608       
233.7154 -76.14936      138.4417 23.80273 10.80382 16.47732 7.743793 7.325411 
13.29244 
1 1 1 17  36  22 o 24.17741 6.713142  143.6155       119.1067 -173.3411      
237.3152 250.3389       137.7068 19.21098 9.328875 29.14384 9.655941 -9.932852 
13.42628 
1 1 1 17  36  23 o 25.78916 7.160306  199.6357       119.7251 73.66623       
226.5211 248.4668       141.0340 22.92250 10.46852 28.65582 9.771897 -5.733320 
14.32061 
1 1 1 17  36  24 o 27.49889 7.663147  244.0154       124.4237 256.7445       
244.2129 239.5527       144.5985 27.20165 11.73511 27.79614 9.858125 
-0.5944920     15.32629 
1 1 1 17  36  25 o 28.50354 7.968677  214.0464       128.3319 525.4453       
252.3726 105.4454       149.0392 35.31733 12.97352 21.68975 9.256732 13.62758 
15.93735 
1 1 1 17  36  26 o 26.46696 7.462226  235.0625       126.9544 160.6775       
246.2288 261.9971       148.1671 24.42113 11.08577 28.51279 9.992248 -4.091663 
14.92445 
1 1 1 17  37  9  o 30.62137 7.573783  245.4830       107.8049 541.6042       
220.7373 152.7282       123.5405 37.91716 12.21649 23.32559 8.955785 14.59156 
15.14757 
1 1 1 17  37  10 o 33.58672 7.085461  363.1119       104.5296 349.6121       
208.8768 367.6223       120.7356 30.46398 11.66000 36.70947 8.053533 -6.245489 
14.17092 
1 1 1 17  37  11 o 22.60450 6.900564  102.6400       97.09986 200.8911       
228.4940 80.98682       107.2673 25.53290 11.18370 19.67610 8.086785 5.856800 
13.80113 
1 1 1 17  37  12 o 44.34343 6.413419  614.9125       102.3544 435.4524       
202.3026 676.6565       118.6628 34.84275 11.70355 53.84411 5.249253 -19.00137 
12.82684 
1 1 1 17  37  13 o 25.29980 6.573207  127.2409       92.08671 351.5854       
166.4536 28.29418       110.5443 32.90837 10.60912 17.69123 7.763689 15.21714 
13.14641 
1 1 1 17  37  14 o 28.45899 6.553856  256.3329       101.5870 104.9419       
180.1584 326.9085       123.0076 22.64094 9.923690 34.27703 8.563440 -11.63609 
13.10771 
1 1 1 17  37  15 o 17.75930 5.741692  -7.171087      89.74415 13.21996       
159.4773 -16.62098      108.5657 19.46380 8.858344 16.05480 7.307381 3.409002 
11.48338 
1 1 1 17  37  16 f 18.13766 5.877907  -6.987248      97.15107 -2.535650      
165.5856 -9.324014      119.9699 19.31050 8.873643 16.96481 7.710876 2.345688 
11.75581 
1 1 1 17  37  17 o 25.59273 7.107278  180.6259       106.0893 250.7585       
184.8801 146.1957       129.5390 27.76897 10.89315 23.41649 9.131972 4.352480 
14.21456 
1 1 1 17  37  18 o 20.70378 6.362703  66.44179       107.3613 -72.72434      
193.9915 127.8865       128.9016 18.88922 8.985841 22.51833 9.010585 -3.629105 
12.72541 
1 1 1 17  37  19 o 22.37485 6.296618  116.6043       101.3002 -61.61757      
177.1771 203.1574       123.4719 18.36980 8.670178 26.37990 9.133325 -8.010099 
12.59324 
1 1 1 17  37  20 o 28.22350 7.312086  159.8905       114.7167 524.3341       
215.3689 15.53500       135.5453 38.07328 12.04702 18.37371 8.290695 19.69957 
14.62417 
1 1 1 17  37  21 o 28.25229 7.550221  180.1057       116.6351 519.3291       
226.7562 58.07069       136.0062 36.79389 12.39072 19.71068 8.630958 17.08321 
15.10044 
1 1 1 17  37  22 f 22.29687 7.092432  91.57983       128.7895 131.5814       
243.7653 76.09017       151.6890 23.85999 10.88395 20.73375 9.096702 3.126236 
14.18486 
1 1 1 17  37  23 o 21.75807 6.825947  92.11182       124.7746 -34.88004      
240.2714 139.0051       146.0056 20.66962 9.881385 22.84651 9.419790 -2.176888 
13.65189 
1 1 1 18  -24 0  o 26.67067 7.320616  229.8774       115.6265 218.1294       
148.5568 247.9315       184.1615 26.32199 9.900958 27.01935 10.78595 
-0.6973534     14.64123 
1 1 1 18  -23 0  f 30.11658 7.639020  290.8014       120.7850 292.7081       
147.3943 286.9033       210.7484 31.08739 9.979390 29.14577 11.56850 1.941620 
15.27804 
1 1 1 18  -23 1  o 72.21313 5.037385  1311.057       148.6708 1315.488       
191.5267 1304.339       235.8219 73.84937 6.177370 70.57688 7.958712 3.272491 
10.07477 
1 1 1 18  -23 2  o 21.51243 6.960237  39.75254       138.0913 144.7657       
219.8677 -28.65660      177.4585 24.06971 10.71979 18.95514 8.880634 5.114563 
13.92047 
1 1 1 18  -23 3  o 26.88889 7.672283  240.1408       133.9408 303.6249       
197.8694 186.4491       181.9698 28.94533 11.28671 24.83245 10.39547 4.112879 
15.34457 
1 1 1 18  -22 0  o 18.60376 6.102736  -49.79416      111.3092 -44.11740      
141.5289 -58.99929      180.2229 17.76775 8.181103 19.43976 9.057765 -1.672010 
12.20547 
1 1 1 18  -22 1  o 23.78804 7.292959  99.76048       134.2756 110.9476       
177.8259 84.92075       204.8088 23.81972 10.13679 23.75636 10.48782 
0.6336403E-01  14.58592 
1 1 1 18  -22 2  o 41.64516 7.572667  539.1689       142.7353 342.4914       
209.4471 709.7170       195.0385 32.29936 11.82329 50.99095 9.465248 -18.69159 
15.14533 
1 1 1 18  -22 3  o 27.04300 7.697562  215.6918       137.6494 143.1668       
207.9722 272.2296       183.6246 24.76659 10.75875 29.31941 11.01178 -4.552818 
15.39512 
1 1 1 18  -22 4  o 22.15420 7.013225  74.93159       133.5223 104.2769       
202.4657 52.34607       177.6221 23.14951 10.29905 21.15889 9.522123 1.990623 
14.02645 
1 1 1 18  -22 5  o 23.26414 7.151387  113.1180       135.7733 -4.982643      
192.6947 229.5605       191.3372 20.00139 9.337429 26.52688 10.83429 -6.525492 
14.30277 
1 1 1 18  -22 6  o 23.23370 7.264717  125.3649       144.3381 198.3566       
189.1568 23.62591       223.3207 25.20819 10.57794 21.25921 9.960501 3.948986 
14.52943 
1 1 1 18  -21 0  o 61.58923 5.698050  919.7624       146.8574 827.3177       
201.7561 1023.938       214.1754 58.07973 8.274147 65.09873 7.836427 -7.019001 
11.39610 
1 1 1 18  -21 1  o 35.00002 7.660831  345.1873       137.1933 169.4271       
194.2632 520.0721       193.7788 26.86748 10.93570 43.13256 10.73144 -16.26508 
15.32166 
1 1 1 18  -21 2  o 43.12407 7.814036  526.6435       143.6467 414.1709       
193.4787 664.7892       214.4266 37.45982 11.33620 48.78831 10.75765 -11.32848 
15.62807 
1 1 1 18  -21 3  o 21.27621 6.768461  12.50940       127.5815 -31.96135      
190.2676 48.83874       171.9715 20.59178 9.483224 21.96064 9.660059 -1.368864 
13.53692 
1 1 1 18  -21 4  o 37.10393 8.080274  379.4721       138.3992 241.2200       
171.2302 639.9749       235.0448 28.97705 10.68222 45.23080 12.12656 -16.25376 
16.16055 
1 1 1 18  -21 5  o 21.52618 6.847897  35.17677       129.6644 43.32438       
175.3440 25.34488       192.6171 21.46066 9.565007 21.59170 9.802316 
-0.1310463     13.69579 
1 1 1 18  -21 6  o 26.06227 7.832315  190.1811       149.0622 201.8849       
194.1305 173.3678       232.6786 26.36308 10.86444 25.76145 11.28471 0.6016312 
15.66463 
1 1 1 18  -21 7  o 19.95913 6.512971  -18.68332      127.3254 -114.7771      
168.8460 107.9995       193.8662 16.99849 8.163959 22.91976 10.15012 -5.921267 
13.02594 
1 1 1 18  -21 8  o 21.13495 6.732112  56.44424       130.2468 133.0990       
170.3230 -51.51044      202.1271 22.96899 9.852080 19.30091 9.177245 3.668081 
13.46422 
1 1 1 18  -20 0  o 20.09520 6.509745  -49.42539      124.0678 -71.88659      
181.0183 -29.52641      170.3811 19.86350 9.186557 20.32690 9.225739 
-0.4633961     13.01949 
1 1 1 18  -20 1  f 45.80595 7.152580  520.5699       142.6574 276.5515       
184.7620 880.7980       224.4864 31.87122 11.15923 59.74068 8.950370 -27.86945 
14.30516 
1 1 1 18  -20 2  o 31.83825 7.852470  279.0623       129.4642 260.5121       
187.0195 296.1315       179.3983 30.96984 11.18838 32.70666 11.02113 -1.736822 
15.70494 
1 1 1 18  -20 3  o 74.24238 5.577386  1320.236       170.2950 1285.302       
219.4310 1373.139       270.0353 73.96331 7.066473 74.52145 8.630984 
-0.5581360     11.15477 
1 1 1 18  -20 4  o 38.35522 7.894552  424.5295       134.6924 436.1488       
180.2200 409.8267       202.7281 39.51773 10.62921 37.19272 11.67543 2.325016 
15.78910 
1 1 1 18  -20 5  o 29.70543 7.547470  210.0609       128.2622 68.57682       
168.5070 404.9454       197.7665 22.59038 9.746858 36.82049 11.52632 -14.23011 
15.09494 
1 1 1 18  -20 6  o 22.64228 7.084680  43.79732       135.6701 118.4366       
190.3530 -33.26392      193.4167 24.62888 10.48465 20.65568 9.531149 3.973196 
14.16936 
1 1 1 18  -20 7  o 72.65790 5.944130  1370.750       170.9124 1453.075       
216.2003 1233.581       279.0743 78.13023 6.591105 67.18558 9.893841 10.94465 
11.88826 
1 1 1 18  -20 8  o 25.01802 7.436115  146.9245       131.0251 89.74877       
170.2092 230.0830       205.2724 22.44984 9.742418 27.58619 11.23693 -5.136343 
14.87223 
1 1 1 18  -20 9  f 29.77344 8.013660  310.8506       141.3278 340.1773       
180.2166 264.0068       227.7661 31.78299 11.03132 27.76389 11.62691 4.019102 
16.02732 
1 1 1 18  -20 10 o 22.96815 7.245873  114.0484       138.9691 90.53891       
176.5860 152.2974       225.2398 21.78933 9.663553 24.14698 10.79937 -2.357655 
14.49175 
1 1 1 18  -19 0  o 28.47789 7.508492  190.2717       120.9692 207.6151       
166.7372 170.9977       175.7729 29.23709 10.56409 27.71869 10.67285 1.518393 
15.01698 
1 1 1 18  -19 1  o 39.62807 6.738613  408.1746       125.0485 618.9641       
172.9597 177.3187       181.0051 51.26645 8.035867 27.98968 10.81945 23.27677 
13.47723 
1 1 1 18  -19 2  f 78.81371 4.799077  1439.249       154.0068 1510.335       
199.1396 1333.467       242.9261 82.17175 5.772395 75.45566 7.668377 6.716095 
9.598154 
1 1 1 18  -19 3  o 32.15041 7.912397  274.2199       130.3999 249.6475       
173.8413 305.8340       197.1828 30.88081 10.82328 33.42002 11.54473 -2.539206 
15.82479 
1 1 1 18  -19 4  o 37.71571 7.842157  365.3194       128.9311 280.1649       
159.8203 524.0250       218.1846 32.38829 10.39098 43.04313 11.74841 -10.65484 
15.68431 
1 1 1 18  -19 5  o 43.74930 7.516451  502.6941       135.1297 416.6169       
173.7484 634.4604       214.9705 39.22581 10.38521 48.27278 10.86901 -9.046970 
15.03290 
1 1 1 18  -19 6  o 28.21441 7.678217  196.6929       133.4200 278.1857       
183.6039 105.5116       194.2116 31.52729 11.11580 24.90153 10.59524 6.625759 
15.35643 
1 1 1 18  -19 7  o 29.36306 7.629351  209.3695       127.0447 101.8583       
165.2255 364.8720       198.7096 23.70838 9.914011 35.01775 11.59915 -11.30937 
15.25870 
1 1 1 18  -19 8  o 84.11442 5.657675  1795.623       186.6691 1950.854       
235.7970 1535.007       305.5276 91.76353 6.120533 76.46531 9.517154 15.29822 
11.31535 
1 1 1 18  -19 9  o 56.10102 7.110481  840.8691       150.5125 800.8318       
180.8764 931.0086       271.3984 57.02074 7.555620 55.18130 12.04775 1.839436 
14.22096 
1 1 1 18  -19 10 o 23.93619 7.140501  127.3312       126.6201 187.8727       
164.7945 40.07935       197.8351 25.97687 10.25527 21.89551 9.938635 4.081358 
14.28100 
1 1 1 18  -19 11 o 34.72229 8.097636  416.6300       136.8322 416.0117       
183.2525 417.4090       205.7084 35.33180 11.10229 34.11278 11.79093 1.219017 
16.19527 
1 1 1 18  -19 12 o 41.68875 8.266923  603.2847       150.2802 580.0601       
206.0893 629.6569       219.6111 41.11057 11.49625 42.26693 11.88294 -1.156364 
16.53385 
1 1 1 18  -18 0  o 38.57481 7.684824  362.8671       131.4427 252.9975       
170.0100 526.1391       207.2486 31.93055 10.72887 45.21906 11.00533 -13.28851 
15.36965 
1 1 1 18  -18 1  o 24.18804 6.870063  72.41068       117.9696 186.6991       
153.2694 -93.70779      184.7835 28.33819 10.13942 20.03789 9.272711 8.300303 
13.74013 
1 1 1 18  -18 2  o 106.6177 5.679387  2703.458       209.8407 2764.985       
240.4156 2506.662       429.9717 112.3429 5.097276 100.8925 10.15084 11.45038 
11.35877 
1 1 1 18  -18 3  o 15.90982 5.504858  -260.0331      118.7884 -257.0223      
152.8019 -264.6320      188.8511 14.80582 7.255544 17.01381 8.280755 -2.207991 
11.00972 
1 1 1 18  -18 4  f 25.74560 7.293300  126.7365       121.3933 168.1431       
156.5416 64.27511       192.2653 27.16161 10.17404 24.32960 10.45265 2.832014 
14.58660 
1 1 1 18  -18 5  o 39.81177 7.881896  429.8132       137.6536 479.5777       
195.5216 380.9048       193.8326 42.31355 10.93157 37.30998 11.35772 5.003567 
15.76379 
1 1 1 18  -18 6  o 51.15295 6.956240  651.7958       141.3983 572.3538       
180.3866 778.3972       227.7185 47.57027 9.365746 54.73562 10.28785 -7.165352 
13.91248 
1 1 1 18  -18 7  o 51.09095 6.688417  637.4449       138.3127 474.6676       
178.8578 879.5957       218.1494 42.25866 10.18576 59.92323 8.671213 -17.66457 
13.37683 
1 1 1 18  -18 8  o 44.18616 7.509668  512.8660       134.7586 434.4734       
170.2103 644.5388       220.5954 40.19167 10.09295 48.18064 11.12262 -7.988964 
15.01934 
1 1 1 18  -18 9  o 20.76214 6.664337  -17.90768      127.8428 37.98295       
170.7004 -89.30089      192.9272 21.83239 9.613859 19.69190 9.231862 2.140484 
13.32867 
1 1 1 18  -18 10 f 43.47171 7.323810  540.9414       131.7432 595.9879       
171.0611 460.6933       206.5398 48.02423 8.813281 38.91919 11.69952 9.105045 
14.64762 
1 1 1 18  -18 11 o 33.15713 8.200305  357.8811       148.3457 427.2804       
189.1352 246.9363       239.1380 37.41956 11.18505 28.89469 11.99478 8.524876 
16.40061 
1 1 1 18  -18 12 o 24.79836 8.008001  112.1416       183.5732 16.50255       
325.3657 156.8033       222.3421 24.29098 11.58538 25.30575 11.05854 -1.014771 
16.01600 
1 1 1 18  -18 13 f 24.74139 7.324070  176.0988       135.9822 -41.30333      
286.6098 239.2530       154.4757 21.94960 10.56485 27.53318 10.14652 -5.583580 
14.64814 
1 1 1 18  -18 14 o 22.28933 7.315390  63.66945       137.9505 176.6866       
296.4767 32.43936       155.8494 25.07463 11.65782 19.50402 8.840529 5.570604 
14.63078 
1 1 1 18  -17 0  o 40.23332 6.850479  385.3403       110.4571 362.9586       
136.9741 426.9604       186.7852 39.10513 8.577127 41.36152 10.68406 -2.256386 
13.70096 
1 1 1 18  -17 1  o 22.57276 6.645875  -53.10659      108.8340 -182.8548      
133.2083 207.3936       188.7489 14.79419 7.140766 30.35133 11.21071 -15.55714 
13.29175 
1 1 1 18  -17 2  o 21.62285 6.667270  1.019524       103.3581 -28.37976      
122.0429 75.59259       194.3726 17.85090 7.967343 25.39480 10.69259 -7.543905 
13.33454 
1 1 1 18  -17 3  o 74.88606 4.865589  1190.447       140.4668 1090.574       
165.6456 1446.119       265.0306 70.44430 5.600864 79.32784 7.957773 -8.883537 
9.731178 
1 1 1 18  -17 4  o 43.40471 6.888753  452.7375       117.6716 416.4963       
144.7883 523.2468       201.9551 41.60522 8.582134 45.20419 10.77806 -3.598976 
13.77751 
1 1 1 18  -17 5  o 52.93980 6.371128  644.5879       123.3419 607.0985       
144.1967 746.8078       238.1053 51.90699 6.616840 53.97262 10.88956 -2.065624 
12.74226 
1 1 1 18  -17 6  o 35.75344 7.416317  289.3801       114.8131 196.3833       
138.5022 493.6675       205.2784 28.43312 9.683785 43.07376 11.23527 -14.64063 
14.83263 
1 1 1 18  -17 7  o 34.07943 7.819438  270.8699       117.6868 209.6419       
138.1754 432.6359       224.5947 29.01237 9.672356 39.14650 12.28902 -10.13413 
15.63888 
1 1 1 18  -17 8  o 35.96681 7.663438  354.7016       124.8964 375.9274       
156.0741 316.9044       208.2708 38.09986 9.723338 33.83376 11.84778 4.266102 
15.32688 
1 1 1 18  -17 9  o 41.57514 7.281903  474.3708       126.9845 529.7754       
164.3210 392.2289       200.0794 45.99461 8.824358 37.15567 11.58599 8.838932 
14.56381 
1 1 1 18  -17 10 o 27.43964 7.557667  175.9295       122.2520 141.1085       
154.6108 234.0187       199.6948 25.21326 9.939826 29.66602 11.38741 -4.452759 
15.11533 
1 1 1 18  -17 11 o 31.89088 8.652104  290.5356       159.8711 384.1456       
253.2786 228.5383       206.1218 34.65875 12.94940 29.12302 11.47818 5.535728 
17.30421 
1 1 1 18  -17 12 o 25.98069 7.341132  162.1439       133.6509 -136.6661      
282.2150 248.5356       151.7464 22.16130 10.62195 29.80008 10.13622 -7.638779 
14.68226 
1 1 1 18  -17 13 o 42.22029 7.711413  610.2295       151.9428 356.6457       
288.8945 707.1992       178.6474 31.59517 13.15397 52.84541 8.052125 -21.25024 
15.42283 
1 1 1 18  -17 14 o 22.45253 7.418478  9.366059       154.6931 171.4220       
292.4557 -53.58797      182.2802 25.98384 11.87838 18.92122 8.890401 7.062620 
14.83696 
1 1 1 18  -17 15 o 21.76610 7.137511  37.17701       161.6564 -204.3747      
304.3708 132.0880       190.7903 20.26997 9.982672 23.26223 10.20404 -2.992264 
14.27502 
1 1 1 18  -16 0  o 73.55177 4.268656  1141.175       127.7780 1029.855       
159.1608 1343.014       214.3148 68.91447 5.501063 78.18907 6.528706 -9.274597 
8.537312 
1 1 1 18  -16 1  o 37.89280 11.27435  354.8170       192.4670 354.8170       
192.4670 0.000000       0.000000 37.89280 11.27435 ?        ?        ? ? 
1 1 1 18  -16 2  o 49.01854 5.045636  529.0078       102.7661 495.2798       
134.4203 576.4506       159.4243 47.29972 6.769042 50.73735 7.484241 -3.437630 
10.09127 
1 1 1 18  -16 3  o 31.11653 6.555567  210.3653       99.18623 93.42492       
132.2282 360.8215       149.9848 23.52551 9.215652 38.70755 9.325965 -15.18204 
13.11113 
1 1 1 18  -16 4  o 112.1348 4.964314  2839.845       226.3754 2941.112       
290.4135 2683.036       361.3849 115.6525 5.981121 108.6170 7.924888 7.035507 
9.928628 
1 1 1 18  -16 5  o 35.28731 6.577517  309.4336       100.2466 361.5913       
134.1908 243.5672       150.7980 38.95498 8.442811 31.61964 10.08830 7.335339 
13.15503 
1 1 1 18  -16 6  o 23.41515 6.615088  89.87624       97.55534 83.38180       
130.9263 97.98257       146.2743 22.75039 9.090391 24.07992 9.612615 -1.329529 
13.23018 
1 1 1 18  -16 7  o 34.67033 7.873897  303.5029       122.7212 297.7279       
144.7435 318.2686       231.4483 34.50404 9.629826 34.83663 12.46032 
-0.3325920     15.74779 
1 1 1 18  -16 8  o 50.83019 6.584082  626.0280       124.6767 618.6143       
148.5509 643.6946       229.3159 52.22178 6.775551 49.43861 11.29125 2.783173 
13.16816 
1 1 1 18  -16 9  o 23.66683 7.060659  46.31892       112.9019 -10.52329      
135.9747 172.4990       202.5900 19.08147 8.469056 28.25219 11.29985 -9.170713 
14.12132 
1 1 1 18  -16 10 f 50.71511 6.667884  646.9044       137.7466 619.6229       
205.9406 668.9905       185.2968 48.63567 10.39015 52.79454 8.359878 -4.158871 
13.33577 
1 1 1 18  -16 11 o 24.29837 7.055419  80.56709       116.9573 205.2580       
184.5088 -3.188962      151.2195 28.64777 10.96054 19.94896 8.887198 8.698809 
14.11084 
1 1 1 18  -16 12 o 22.83425 7.498143  -7.038433      136.8822 -7.837261      
324.4211 -6.865424      150.9792 26.00568 12.13084 19.66281 8.816535 6.342876 
14.99629 
1 1 1 18  -16 13 o 23.20797 7.489629  20.28445       149.8388 10.34123       
283.5933 24.13521       176.4841 24.84992 11.49490 21.56602 9.604454 3.283901 
14.97926 
1 1 1 18  -16 14 o 23.11930 7.509533  23.79488       149.0554 68.82516       
290.8560 7.756625       173.5818 25.54543 11.74792 20.69316 9.357282 4.852268 
15.01907 
1 1 1 18  -16 15 f 32.01690 8.495068  374.2154       170.2238 168.4267       
338.6703 443.7775       196.9032 27.01561 12.52151 37.01819 11.48374 -10.00257 
16.99014 
1 1 1 18  -16 16 o 34.00311 8.911654  487.9542       178.2728 422.0806       
390.6991 505.2755       200.3448 29.56108 13.60354 38.44514 11.51582 -8.884052 
17.82331 
1 1 1 18  -15 0  o 29.66121 6.857314  186.3518       98.57094 132.7269       
128.1937 263.9164       154.1754 25.73540 9.266500 33.58701 10.11054 -7.851610 
13.71463 
1 1 1 18  -15 1  o 90.41077 3.789239  1755.246       141.2704 1726.376       
182.7556 1798.108       222.6821 89.70353 4.852686 91.11800 5.821062 -1.414467 
7.578478 
1 1 1 18  -15 2  o 25.91138 9.973969  118.6025       153.4826 0.000000       
0.000000 118.6025       153.4826 ?        ?        25.91138 9.973969 ? ? 
1 1 1 18  -15 3  o 62.08929 4.476444  857.2864       114.4308 959.5331       
154.4551 732.8799       170.3725 66.55964 5.527291 57.61895 7.042959 8.940685 
8.952888 
1 1 1 18  -15 4  o 29.88688 6.987039  203.6400       102.5806 170.2840       
142.4672 239.5509       147.8226 27.92901 9.797165 31.84476 9.964458 -3.915754 
13.97408 
1 1 1 18  -15 5  o 25.19486 6.722596  120.7312       96.69643 108.5495       
129.9174 135.8609       144.7866 24.23033 9.218494 26.15938 9.787368 -1.929047 
13.44519 
1 1 1 18  -15 6  o 123.4260 3.889615  3344.172       198.1941 3466.038       
260.9550 3178.051       304.6735 126.5669 4.910963 120.2851 6.033146 6.281738 
7.779230 
1 1 1 18  -15 7  o 62.91972 4.441534  879.6830       116.7786 944.4583       
162.2721 810.0999       168.1865 65.52356 5.898850 60.31587 6.641720 5.207687 
8.883067 
1 1 1 18  -15 8  o 20.65666 6.275658  8.603146       99.41545 -48.28660      
135.1770 75.62418       146.7207 18.12814 8.224276 23.18518 9.481393 -5.057041 
12.55132 
1 1 1 18  -15 9  o 40.19029 7.225842  415.8304       122.2637 366.0297       
188.6049 451.9274       160.5722 37.44529 11.16462 42.93529 9.176193 -5.489994 
14.45168 
1 1 1 18  -15 10 f 42.24959 7.434740  466.7765       132.3913 397.8929       
193.2454 527.7039       181.7429 38.65553 11.23840 45.84365 9.736518 -7.188118 
14.86948 
1 1 1 18  -15 11 o 24.69290 7.349194  81.92492       123.6616 138.5097       
211.8960 52.69925       152.2843 27.26079 11.30213 22.12501 9.397044 5.135780 
14.69839 
1 1 1 18  -15 12 o 24.62497 7.171760  65.47195       130.6073 -95.29895      
185.5585 223.3242       183.8665 19.59846 9.154590 29.65147 11.04219 -10.05301 
14.34352 
1 1 1 18  -15 13 o 31.51738 8.108837  274.2608       159.7314 6.321803       
278.5832 405.4885       194.9618 25.25602 11.56549 37.77874 11.36893 -12.52272 
16.21767 
1 1 1 18  -15 14 o 27.24211 7.787042  155.3184       162.8741 -337.2654      
341.0007 300.9088       185.3879 22.08590 10.82815 32.39832 11.19389 -10.31242 
15.57408 
1 1 1 18  -15 15 o 39.52705 9.061894  446.3075       180.5078 854.7819       
301.7377 218.6516       225.2613 50.54092 13.82536 28.51319 11.71884 22.02773 
18.12379 
1 1 1 18  -15 16 o 27.62487 8.383844  207.4342       185.6646 -60.40546      
368.1237 298.8085       215.0147 24.72721 11.91927 30.52253 11.79349 -5.795317 
16.76769 
1 1 1 18  -15 17 o 38.80661 8.754659  639.6620       198.1756 305.5499       
359.9992 784.9336       237.3809 28.40688 13.06640 49.20634 11.65527 -20.79946 
17.50932 
1 1 1 18  -15 18 o 23.45802 7.678482  96.25512       187.2465 -148.4406      
344.3215 199.0066       223.1233 21.62031 10.64815 25.29574 11.06586 -3.675438 
15.35696 
1 1 1 18  -14 0  o 52.60612 4.839303  585.6615       105.4828 489.4417       
137.2864 724.3233       164.8063 47.45545 6.890688 57.75678 6.796603 -10.30133 
9.678605 
1 1 1 18  -14 1  o 25.79652 6.764313  122.4594       99.61822 165.2924       
129.8470 61.17950       155.3109 27.75831 9.376330 23.83474 9.752340 3.923571 
13.52863 
1 1 1 18  -14 2  o 31.96383 6.864618  230.0605       98.78522 207.6436       
127.7008 263.4636       155.8831 30.21367 9.223049 33.71397 10.16992 -3.500299 
13.72924 
1 1 1 18  -14 3  o 59.33392 4.569736  763.6685       112.3902 754.6005       
147.3874 776.2674       173.7286 59.07174 5.942944 59.59610 6.943439 
-0.5243530     9.139471 
1 1 1 18  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -14 5  o 21.21435 6.121606  -14.46908      96.23135 -147.4237      
129.6734 148.5050       143.5683 15.42026 7.340877 27.00843 9.798356 -11.58817 
12.24321 
1 1 1 18  -14 6  o 60.10980 4.770047  777.6420       115.7407 733.9997       
143.4378 859.0838       195.9447 58.07702 5.882751 62.14259 7.510436 -4.065571 
9.540094 
1 1 1 18  -14 7  o 89.45068 4.208152  1783.385       152.2900 1906.264       
195.7379 1594.918       242.4124 93.96988 4.961435 84.93149 6.798406 9.038391 
8.416304 
1 1 1 18  -14 8  o 59.98717 5.423027  808.0229       135.4642 834.7509       
206.2091 787.7318       179.6717 60.61747 8.102723 59.35687 7.209908 1.260601 
10.84605 
1 1 1 18  -14 9  o 37.68589 7.525592  348.0760       123.9114 428.9704       
190.5123 288.7637       163.1310 41.21939 10.85713 34.15239 10.42406 7.067001 
15.05118 
1 1 1 18  -14 10 o 77.54770 5.154146  1342.500       165.5956 1492.510       
260.4780 1240.747       214.5283 80.81355 7.677290 74.28185 6.878962 6.531693 
10.30829 
1 1 1 18  -14 11 o 39.61370 7.287446  376.8936       122.2828 548.9809       
197.6986 270.2603       155.6236 46.50267 10.39046 32.72473 10.22085 13.77794 
14.57489 
1 1 1 18  -14 12 o 80.50214 5.217264  1480.852       166.3248 1535.280       
287.5683 1453.491       203.8882 80.40008 8.519333 80.60421 6.024978 
-0.2041321     10.43453 
1 1 1 18  -14 13 o 52.81813 6.932735  719.0787       146.6095 607.1068       
223.3508 803.8500       194.3378 47.30383 11.37017 58.33244 7.935391 -11.02861 
13.86547 
1 1 1 18  -14 14 o 58.38818 6.829521  866.5602       161.0874 1036.393       
231.3726 706.7943       224.4107 65.37495 8.429886 51.40141 10.74739 13.97353 
13.65904 
1 1 1 18  -14 15 o 26.40887 8.121208  117.3163       156.5932 124.6997       
296.4271 114.4582       184.4274 27.88248 12.43161 24.93527 10.45329 2.947214 
16.24242 
1 1 1 18  -14 16 o 38.76096 9.760482  475.3455       177.3806 649.6559       
398.9970 432.4089       198.0256 39.35287 15.80872 38.16904 11.45218 1.183838 
19.52096 
1 1 1 18  -14 17 o 38.80428 9.736876  475.6568       172.1929 774.3644       
377.0756 396.9547       193.5524 41.82825 15.76601 35.78032 11.43067 6.047928 
19.47375 
1 1 1 18  -14 18 o 33.20782 8.711486  440.3538       182.5426 184.2636       
407.0091 504.8372       204.2357 27.27159 12.99352 39.14404 11.60726 -11.87245 
17.42297 
1 1 1 18  -14 19 o 25.43301 8.002501  196.1343       166.6133 138.9885       
337.2953 214.5787       191.6241 24.96394 11.86289 25.90208 10.74392 
-0.9381409     16.00500 
1 1 1 18  -13 0  o 25.49342 6.850975  106.1252       100.3821 82.06724       
131.9648 139.1611       154.6398 23.58519 9.213117 27.40164 10.14209 -3.816446 
13.70195 
1 1 1 18  -13 1  o 20.70047 6.297805  -7.294013      97.74557 -39.87706      
126.4031 41.16904       154.1584 18.27375 8.133541 23.12719 9.617427 -4.853443 
12.59561 
1 1 1 18  -13 2  o 93.30328 3.634328  1875.528       140.8702 1997.781       
190.2040 1726.994       209.6543 96.83975 4.678289 89.76681 5.563000 7.072945 
7.268656 
1 1 1 18  -13 3  o 55.56702 4.738852  637.4012       107.7505 529.9803       
135.2382 824.1265       178.3022 49.50755 6.506525 61.62650 6.891443 -12.11896 
9.477703 
1 1 1 18  -13 4  o 25.73265 6.749259  102.2134       97.80145 40.58978       
125.2304 198.5655       156.5910 21.19246 8.728511 30.27285 10.29675 -9.080393 
13.49852 
1 1 1 18  -13 5  o 21.00210 6.362469  10.53609       99.32587 15.15965       
130.7545 4.228023       152.7273 20.46795 8.700772 21.53625 9.285504 -1.068302 
12.72494 
1 1 1 18  -13 6  o 39.07565 8.407293  351.7852       133.9712 351.7852       
133.9712 0.000000       0.000000 39.07565 8.407293 ?        ?        ? ? 
1 1 1 18  -13 7  o 34.71650 7.390609  288.7308       119.6146 209.7847       
180.9609 349.9879       159.4035 31.04408 11.02637 38.38891 9.843956 -7.344833 
14.78122 
1 1 1 18  -13 8  o 68.17489 5.347862  1034.954       152.1462 1022.547       
226.8320 1045.102       205.1348 67.57751 7.995088 68.77227 7.104721 -1.194763 
10.69572 
1 1 1 18  -13 9  o 39.43171 7.287384  373.8525       120.6157 417.0313       
187.9283 343.6067       157.2858 41.14982 10.75768 37.71360 9.833419 3.436226 
14.57477 
1 1 1 18  -13 10 o 34.50625 7.489863  305.3162       126.0650 154.2605       
215.0933 384.3554       155.5892 29.10657 11.64260 39.90593 9.425604 -10.79936 
14.97973 
1 1 1 18  -13 11 o 22.55047 6.793392  3.139675       114.8095 132.9864       
180.5860 -84.94736      148.7389 26.96605 10.70702 18.13489 8.364241 8.831156 
13.58678 
1 1 1 18  -13 12 o 63.14047 5.397439  920.4938       140.8344 852.8699       
213.0654 972.9641       187.6806 60.52021 8.385591 65.76073 6.797886 -5.240517 
10.79488 
1 1 1 18  -13 13 o 26.84960 7.638133  131.2489       125.6844 177.4559       
217.4958 108.0829       154.0007 29.10618 11.68036 24.59302 9.845478 4.513157 
15.27627 
1 1 1 18  -13 14 o 54.32594 6.553434  726.4554       145.9909 712.8546       
210.8502 738.9802       202.3373 53.15831 9.816625 55.49356 8.684693 -2.335255 
13.10687 
1 1 1 18  -13 15 o 40.79897 7.064252  411.9211       143.4065 764.6127       
213.5553 122.2594       193.5344 55.67745 9.135917 25.92049 10.77727 29.75696 
14.12850 
1 1 1 18  -13 16 o 38.41391 7.613320  480.6438       174.3265 -137.9922      
338.5722 703.8142       203.3537 24.67006 11.77853 52.15776 9.649708 -27.48770 
15.22664 
1 1 1 18  -13 17 o 53.98521 8.779870  999.2325       205.8968 590.6733       
365.2466 1189.541       249.2800 38.98075 15.30599 68.98967 8.606458 -30.00892 
17.55974 
1 1 1 18  -13 18 o 30.79050 9.152625  298.6533       197.6019 197.4129       
407.1040 329.8567       226.0113 29.37906 13.65971 32.20194 12.18583 -2.822878 
18.30525 
1 1 1 18  -13 19 o 25.53685 8.191581  133.5855       186.2885 80.92607       
335.6634 157.0246       223.9421 25.57416 12.03032 25.49954 11.12113 
0.7461548E-01  16.38316 
1 1 1 18  -13 20 o 27.23938 8.582748  230.0631       171.5359 435.6624       
372.2903 174.6507       193.2743 29.77589 13.54702 24.70288 10.54195 5.073011 
17.16550 
1 1 1 18  -12 0  o 105.8664 4.183810  2365.158       171.6631 2313.687       
205.4604 2484.160       312.4083 104.3564 4.689536 107.3763 6.930029 -3.019905 
8.367620 
1 1 1 18  -12 1  o 30.34861 5.913451  179.7687       103.1120 391.9843       
136.2313 -104.8696      157.7738 41.82280 8.045724 18.87442 8.668446 22.94838 
11.82690 
1 1 1 18  -12 2  f 48.89714 5.529078  502.1973       108.6591 406.1644       
137.5245 661.7548       177.2673 42.57764 7.988073 55.21665 7.646798 -12.63901 
11.05816 
1 1 1 18  -12 3  f 84.43622 3.982783  1520.265       137.8330 1501.920       
176.3332 1549.080       220.9916 83.95170 5.002945 84.92073 6.198449 
-0.9690323     7.965565 
1 1 1 18  -12 4  o 59.39271 4.449042  747.8440       108.9211 703.2290       
139.5960 817.2766       174.1466 57.27010 5.805854 61.51532 6.742994 -4.245216 
8.898085 
1 1 1 18  -12 5  o 130.7378 4.034009  3577.435       211.2489 3382.155       
259.1569 3964.127       364.6844 125.9174 4.902280 135.5582 6.407851 -9.640808 
8.068017 
1 1 1 18  -12 6  o 130.2233 5.754333  3726.712       307.2831 3745.221       
489.4312 3714.669       394.7905 129.8442 8.978217 130.6024 7.200068 
-0.7581940     11.50867 
1 1 1 18  -12 7  o 40.48648 9.686896  382.7180       162.6928 0.000000       
0.000000 382.7180       162.6928 ?        ?        40.48648 9.686896 ? ? 
1 1 1 18  -12 8  o 38.43338 7.334681  349.5602       120.1374 354.7719       
185.0747 345.7649       157.9347 38.54403 10.93203 38.32273 9.781666 0.2212982 
14.66936 
1 1 1 18  -12 9  o 74.30881 4.951710  1179.300       150.1543 1357.628       
249.1982 1077.648       188.1441 78.31187 7.579460 70.30573 6.374129 8.006142 
9.903420 
1 1 1 18  -12 10 f 70.33412 5.068791  1100.661       147.4167 1056.674       
225.9108 1133.282       194.5449 68.75549 7.826196 71.91275 6.443696 -3.157265 
10.13758 
1 1 1 18  -12 11 o 35.50695 6.828775  231.9161       119.8379 577.8282       
197.8278 31.40195       150.6180 49.01382 9.960107 22.00008 9.344783 27.01374 
13.65755 
1 1 1 18  -12 12 o 68.83432 5.649879  1060.648       161.7817 1211.397       
250.3467 952.5506       211.9943 72.83388 8.187089 64.83475 7.788204 7.999123 
11.29976 
1 1 1 18  -12 13 o 34.72630 6.835953  304.7624       122.1368 60.01902       
188.1230 483.0926       160.5827 24.54814 10.43585 44.90446 8.832558 -20.35632 
13.67191 
1 1 1 18  -12 14 o 36.73770 7.432409  356.1749       123.5215 267.4950       
195.1344 415.4671       159.5585 32.54300 11.46098 40.93240 9.466187 -8.389393 
14.86482 
1 1 1 18  -12 15 o 38.09455 7.907677  361.8988       147.4839 164.5592       
196.6067 615.8485       223.0309 27.95900 11.14964 48.23009 11.21655 -20.27110 
15.81535 
1 1 1 18  -12 16 o 49.87536 7.077997  614.2685       150.5829 1086.772       
233.8843 279.7314       196.7981 67.44442 8.259925 32.30629 11.49634 35.13813 
14.15599 
1 1 1 18  -12 17 o 24.92511 7.827842  43.58342       170.3795 -398.3174      
370.6407 161.9827       191.8515 22.81394 11.21833 27.03628 10.92014 -4.222338 
15.65568 
1 1 1 18  -12 18 o 41.36251 8.950978  588.4281       185.8052 355.8030       
359.4069 673.2783       217.0624 33.32605 14.30358 49.39897 10.76512 -16.07292 
17.90196 
1 1 1 18  -12 19 o 22.32889 7.557392  -123.1998      165.4485 105.3043       
332.8891 -198.1608      190.6647 27.23524 12.54309 17.42254 8.433710 9.812696 
15.11478 
1 1 1 18  -12 20 o 23.85410 7.768075  65.38876       165.8111 -15.35941      
341.3874 90.31837       189.6876 24.55904 11.74981 23.14915 10.16435 1.409889 
15.53615 
1 1 1 18  -12 21 o 44.43784 10.75647  868.9518       223.0921 1302.151       
489.5306 755.3987       250.6316 43.03139 17.41762 45.84428 12.62669 -2.812885 
21.51295 
1 1 1 18  -11 0  o 93.69392 4.438859  1847.661       164.6728 1790.720       
200.4689 1965.793       288.7491 91.77701 5.202764 95.61083 7.193408 -3.833824 
8.877717 
1 1 1 18  -11 1  o 133.5721 3.685451  3775.441       201.6196 3708.912       
257.2137 3881.461       324.7022 132.2359 4.633037 134.9082 5.732815 -2.672318 
7.370903 
1 1 1 18  -11 2  o 100.2340 4.545756  2194.192       181.2949 2294.684       
226.3805 2014.492       302.7252 103.8509 5.192183 96.61718 7.463031 7.233696 
9.091513 
1 1 1 18  -11 3  o 57.98330 4.681647  750.5737       105.7185 810.2213       
130.7614 638.0052       179.6351 61.71533 5.046701 54.25126 7.886830 7.464069 
9.363295 
1 1 1 18  -11 4  o 83.48588 4.219241  1410.730       135.7315 1299.122       
159.8649 1698.962       256.9066 78.15997 4.871802 88.81178 6.890103 -10.65181 
8.438482 
1 1 1 18  -11 5  o 114.2671 5.014184  2832.149       239.2159 2964.139       
326.8582 2679.907       351.0395 117.3470 6.634501 111.1872 7.520078 6.159882 
10.02837 
1 1 1 18  -11 6  o 114.0579 4.958391  2815.570       234.9612 2797.847       
358.0979 2828.968       311.3545 113.4936 7.515388 114.6222 6.470046 -1.128616 
9.916781 
1 1 1 18  -11 7  o 34.19153 7.127666  258.5916       122.0980 81.60624       
178.3645 414.6596       167.4930 25.97895 10.51436 42.40411 9.626150 -16.42516 
14.25533 
1 1 1 18  -11 8  o 68.33082 5.086130  998.8572       143.1776 1106.630       
229.7555 930.4312       183.0720 71.11553 7.695247 65.54610 6.652671 5.569427 
10.17226 
1 1 1 18  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -11 10 o 99.51546 4.592488  2143.751       187.4892 2212.521       
300.4508 2099.892       239.9391 100.4550 7.123986 98.57594 5.797640 1.879036 
9.184977 
1 1 1 18  -11 11 o 36.92001 7.825752  330.9370       134.6789 239.5406       
198.9809 408.2050       182.9559 32.69494 11.56742 41.14509 10.54345 -8.450146 
15.65150 
1 1 1 18  -11 12 o 37.84229 7.432435  329.2072       124.4221 485.8896       
195.2699 222.1152       161.4374 44.65595 10.56693 31.02863 10.45488 13.62732 
14.86487 
1 1 1 18  -11 13 o 44.39978 7.545408  473.4016       135.0617 549.5726       
224.8015 430.3756       168.9546 46.63605 11.53145 42.16351 9.734388 4.472542 
15.09082 
1 1 1 18  -11 14 o 26.74902 7.400410  124.9608       119.3776 195.4292       
188.7697 77.99599       154.1066 29.76647 11.16788 23.73157 9.713014 6.034901 
14.80082 
1 1 1 18  -11 15 o 27.34990 7.528795  150.1108       122.9380 177.5781       
191.0171 130.6882       160.6267 28.74723 11.11416 25.95258 10.15906 2.794645 
15.05759 
1 1 1 18  -11 16 o 45.89668 7.730453  550.6440       146.7011 549.8320       
215.3983 551.3465       200.3513 45.53489 11.30519 46.25848 10.54668 
-0.7235947     15.46091 
1 1 1 18  -11 17 o 31.87854 8.189281  267.6614       142.1389 286.6609       
194.9932 246.1194       207.6309 32.72883 11.46361 31.02825 11.69798 1.700581 
16.37856 
1 1 1 18  -11 18 o 38.08236 9.326924  435.5878       171.2294 450.7000       
354.0508 430.9739       195.6298 36.89618 14.86272 39.26855 11.27234 -2.372375 
18.65385 
1 1 1 18  -11 19 o 46.30682 9.301820  609.9474       171.3682 841.3168       
341.9385 532.3431       198.0332 48.88087 15.12706 43.73277 10.82901 5.148109 
18.60364 
1 1 1 18  -11 20 o 32.66574 9.411497  327.6042       189.1344 454.3853       
352.1829 276.2204       224.2098 34.81680 14.51115 30.51470 11.98881 4.302099 
18.82299 
1 1 1 18  -11 21 o 21.53983 7.539400  -257.5100      219.6328 -190.1023      
408.8082 -284.8611      260.4067 24.05713 11.81424 19.02253 9.369847 5.034603 
15.07880 
1 1 1 18  -11 22 o 21.82596 7.576860  -144.6349      234.2960 -143.3103      
367.3794 -145.5429      304.1842 22.49974 11.08253 21.15219 10.33502 1.347553 
15.15372 
1 1 1 18  -10 0  o 106.6702 4.300678  2308.248       171.6894 2179.414       
199.0775 2682.233       339.1836 101.4544 4.673825 111.8860 7.220713 -10.43166 
8.601357 
1 1 1 18  -10 1  o 64.19640 4.404728  821.0842       114.2307 675.9944       
140.1216 1108.572       197.2404 56.34530 5.923365 72.04751 6.520756 -15.70221 
8.809456 
1 1 1 18  -10 2  o 42.10365 6.325490  402.2317       106.5337 430.9042       
133.8580 352.6899       175.9530 44.82880 7.112272 39.37850 10.46245 5.450294 
12.65098 
1 1 1 18  -10 3  o 96.48762 4.388603  2012.046       163.3614 2051.814       
196.8708 1924.128       292.7225 98.37012 4.766934 94.60512 7.369917 3.764999 
8.777205 
1 1 1 18  -10 4  o 68.33396 5.074518  1009.600       144.5743 888.3043       
206.4954 1126.227       202.4816 64.17137 7.664611 72.49655 6.652567 -8.325180 
10.14904 
1 1 1 18  -10 5  o 32.92490 7.776438  231.1349       125.6348 248.2157       
189.3173 217.6929       167.9453 33.92005 11.32171 31.92975 10.66353 1.990297 
15.55288 
1 1 1 18  -10 6  o 105.1395 5.272069  2384.205       231.8164 2333.461       
312.9908 2445.865       345.0204 104.0179 7.167119 106.2611 7.733774 -2.243233 
10.54414 
1 1 1 18  -10 7  o 47.56875 6.768930  504.9507       132.5927 676.7070       
195.8977 359.7424       180.1228 55.68080 8.380017 39.45670 10.63245 16.22410 
13.53786 
1 1 1 18  -10 8  o 93.76286 4.547419  1864.925       177.4128 2098.452       
274.1909 1696.746       232.6862 98.67073 6.618898 88.85500 6.237488 9.815727 
9.094838 
1 1 1 18  -10 9  o 54.33734 6.202315  643.3941       137.1375 768.8785       
215.2240 557.6236       177.9363 59.06371 8.679425 49.61096 8.862417 9.452751 
12.40463 
1 1 1 18  -10 10 o 45.58510 9.215250  477.2245       170.1950 0.000000       
0.000000 477.2245       170.1950 ?        ?        45.58510 9.215250 ? ? 
1 1 1 18  -10 11 o 57.56918 5.977310  736.2217       144.4463 733.9391       
205.8717 738.4349       202.7206 57.45035 8.535421 57.68800 8.370155 
-0.2376556     11.95462 
1 1 1 18  -10 12 o 104.7675 5.376209  2421.893       233.9378 2459.985       
358.6595 2393.688       308.6255 105.1051 8.127921 104.4299 7.039274 0.6752167 
10.75242 
1 1 1 18  -10 13 o 59.76425 5.490667  762.3430       133.9960 1067.776       
213.6703 564.3639       172.0266 69.39769 7.333650 50.13082 8.173572 19.26687 
10.98133 
1 1 1 18  -10 14 o 33.92597 8.065768  276.5583       136.6012 313.4495       
192.4255 239.0802       193.9500 35.68307 11.39711 32.16887 11.41632 3.514202 
16.13154 
1 1 1 18  -10 15 o 45.00204 7.231932  501.5263       132.8179 479.4505       
201.2948 518.5475       176.7545 43.59462 10.99310 46.40947 9.399740 -2.814846 
14.46386 
1 1 1 18  -10 16 o 38.74795 7.719327  389.5266       133.9284 302.8803       
195.3982 466.2993       183.9285 34.43847 11.50210 43.05743 10.29824 -8.618961 
15.43865 
1 1 1 18  -10 17 o 29.62088 8.144132  198.0130       145.9223 222.4837       
197.2654 168.4413       216.8530 30.46723 11.41926 28.77453 11.61499 1.692698 
16.28826 
1 1 1 18  -10 18 o 46.32837 8.292546  590.4453       161.7414 626.0575       
221.5069 549.7719       236.7244 48.49208 11.11256 44.16467 12.31163 4.327415 
16.58509 
1 1 1 18  -10 19 f 39.89040 9.902724  512.1042       205.1375 487.6513       
335.1079 526.7592       259.4250 38.28287 14.73739 41.49792 13.23121 -3.215054 
19.80545 
1 1 1 18  -10 20 f 38.43028 10.01293  494.8767       208.4835 552.5781       
348.5729 462.7383       260.1436 38.90218 15.01918 37.95837 13.24610 0.9438095 
20.02586 
1 1 1 18  -10 21 o 27.80937 9.119514  75.85845       238.8777 294.4125       
409.7691 -36.64911      294.0022 31.45838 14.28578 24.16037 11.33926 7.298014 
18.23903 
1 1 1 18  -10 22 o 29.05272 8.932471  261.6124       208.9057 128.5133       
358.8909 329.8203       256.9165 27.05501 12.66720 31.05042 12.59754 -3.995407 
17.86494 
1 1 1 18  -10 23 o 20.76772 7.166660  -165.6506      196.4108 39.92235       
302.1617 -316.0631      258.4630 23.52729 11.20288 18.00814 8.940888 5.519146 
14.33332 
1 1 1 18  -9  0  o 106.2671 3.753448  2397.020       158.2563 2405.564       
194.5682 2380.317       272.0377 106.7120 4.342899 105.8222 6.123130 0.8898239 
7.506896 
1 1 1 18  -9  1  o 34.51799 6.772595  229.5303       108.3036 97.26776       
138.7427 435.8366       173.2797 24.98725 9.520617 44.04872 9.634834 -19.06147 
13.54519 
1 1 1 18  -9  2  o 17.16758 5.565657  -89.87120      91.40300 -96.30657      
127.3431 -83.03246      131.2733 16.81116 7.748225 17.52400 7.991943 
-0.7128353     11.13131 
1 1 1 18  -9  3  o 70.05835 4.284386  1007.754       119.6944 934.1699       
145.5801 1161.278       210.2801 66.37191 5.224430 73.74480 6.791846 -7.372887 
8.568771 
1 1 1 18  -9  4  o 42.54996 6.716576  422.1022       129.5065 136.4839       
189.3144 673.3281       177.5508 29.08994 11.11030 56.00998 7.550547 -26.92004 
13.43315 
1 1 1 18  -9  5  o 56.58574 6.426242  733.1699       138.6778 347.1675       
190.0882 1172.374       202.7651 39.09822 11.07587 74.07325 6.520080 -34.97503 
12.85248 
1 1 1 18  -9  6  o 142.1961 5.399654  4364.189       321.0699 4262.534       
472.2284 4451.578       437.8418 140.4713 8.007291 143.9209 7.246266 -3.449661 
10.79931 
1 1 1 18  -9  7  o 74.52203 5.205089  1181.869       161.8199 1057.844       
214.9208 1344.209       245.8884 70.07860 7.304898 78.96548 7.416891 -8.886879 
10.41018 
1 1 1 18  -9  8  o 56.62434 5.880003  700.3560       139.1493 660.3991       
202.6478 736.0029       191.4066 54.97530 8.780020 58.27338 7.823619 -3.298080 
11.76001 
1 1 1 18  -9  9  o 71.51375 5.350004  1123.431       157.6705 895.4514       
225.1728 1342.740       220.8496 64.04306 8.374616 78.98444 6.660030 -14.94138 
10.70001 
1 1 1 18  -9  10 o 76.24944 5.028529  1239.655       152.7960 1320.927       
264.2480 1198.833       187.2789 77.75334 8.094940 74.74553 5.967945 3.007813 
10.05706 
1 1 1 18  -9  11 o 133.0209 4.522051  3801.218       251.6224 4017.228       
375.6110 3625.361       338.9081 136.3375 6.562120 129.7044 6.223695 6.633041 
9.044103 
1 1 1 18  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -9  13 o 71.68619 5.374181  1142.780       159.4880 1060.779       
240.7320 1206.928       212.9202 69.04048 8.305220 74.33189 6.822801 -5.291405 
10.74836 
1 1 1 18  -9  14 o 23.50966 7.093513  10.14242       125.7193 102.5987       
187.0000 -66.11138      169.8260 26.66785 10.77712 20.35148 9.226347 6.316370 
14.18703 
1 1 1 18  -9  15 o 82.54681 5.691466  1479.646       193.5613 1887.216       
310.8900 1221.648       247.3510 91.45278 8.097127 73.64083 8.000480 17.81195 
11.38293 
1 1 1 18  -9  16 o 72.37427 5.010847  1171.515       152.2210 1160.520       
216.8619 1182.194       213.7186 71.98313 7.175853 72.76540 6.995818 
-0.7822723     10.02169 
1 1 1 18  -9  17 o 51.49122 6.898289  647.8495       143.4589 651.8625       
208.6537 644.2518       197.5633 51.45750 10.01565 51.52493 9.488535 
-0.6742477E-01 13.79658 
1 1 1 18  -9  18 o 32.56799 8.768440  262.7632       167.2447 299.6929       
226.8746 218.8102       247.5097 33.94939 12.31725 31.18659 12.48309 2.762798 
17.53688 
1 1 1 18  -9  19 o 22.54723 7.627552  -212.2051      203.2558 -419.0222      
345.4235 -102.6702      251.3824 22.28537 10.91768 22.80909 10.65469 
-0.5237274     15.25510 
1 1 1 18  -9  20 o 28.75970 8.826166  146.7642       201.4234 7.915658       
336.0764 224.5977       251.6233 27.18224 12.55069 30.33717 12.41310 -3.154938 
17.65233 
1 1 1 18  -9  21 o 50.71873 10.89366  918.3979       251.3141 926.7988       
435.2982 914.1978       307.7924 47.19202 17.06734 54.24545 13.54227 -7.053425 
21.78732 
1 1 1 18  -9  22 o 23.91707 8.047970  -80.93447      215.6032 -108.2146      
360.3091 -65.71800      269.0971 24.88107 11.94399 22.95307 10.78983 1.928001 
16.09594 
1 1 1 18  -9  23 o 28.52429 8.613304  237.4930       175.4444 269.2645       
309.4938 222.4489       212.9686 29.28369 12.91483 27.76489 11.40014 1.518797 
17.22661 
1 1 1 18  -9  24 o 23.62207 7.594889  99.95604       172.0526 -106.8012      
308.5482 193.2557       207.2683 21.71651 10.57287 25.52764 10.90614 -3.811136 
15.18978 
1 1 1 18  -8  0  o 172.6183 5.603292  6270.273       346.4359 6178.792       
396.1899 6567.426       714.0475 170.7949 5.525220 174.4418 9.749845 -3.646866 
11.20658 
1 1 1 18  -8  1  o 125.5043 4.800477  3337.763       236.1950 3312.113       
286.3332 3392.385       417.8338 125.0558 5.453672 125.9528 7.901631 
-0.8970566     9.600954 
1 1 1 18  -8  2  o 45.13367 5.885949  447.9934       105.0837 458.0255       
132.7605 431.1647       171.9492 46.38235 6.817688 43.88498 9.596704 2.497372 
11.77190 
1 1 1 18  -8  3  o 124.3176 4.865043  3315.511       246.3857 3193.711       
395.7108 3392.628       314.8669 122.2054 7.712736 126.4297 5.931970 -4.224258 
9.730085 
1 1 1 18  -8  4  o 53.46854 6.080862  617.9731       131.3119 782.0253       
195.3146 482.6598       177.3838 60.44595 7.696417 46.49113 9.416618 13.95481 
12.16172 
1 1 1 18  -8  5  o 29.50814 7.433692  146.2190       125.7130 8.860884       
183.6863 267.2418       172.4183 24.14399 10.28946 34.87229 10.73154 -10.72830 
14.86738 
1 1 1 18  -8  6  o 46.01874 6.805735  461.8423       130.6034 674.7920       
195.3424 289.7051       175.6287 55.96577 8.313712 36.07170 10.77749 19.89407 
13.61147 
1 1 1 18  -8  7  o 40.50600 7.415381  364.0801       129.1707 492.3827       
193.1414 260.2541       173.7444 46.60367 10.15349 34.40834 10.81010 12.19534 
14.83076 
1 1 1 18  -8  8  o 90.34653 5.117788  1737.342       192.8349 1897.570       
294.0014 1616.368       255.4614 93.90294 7.457467 86.79012 7.010936 7.112816 
10.23558 
1 1 1 18  -8  9  o 70.78789 5.180184  1080.658       153.2818 956.0405       
214.3755 1211.010       219.2533 66.51930 7.676239 75.05647 6.957916 -8.537163 
10.36037 
1 1 1 18  -8  10 o 68.37775 5.219775  984.0538       146.2388 1131.377       
239.9554 897.0027       184.4514 72.19419 7.916794 64.56132 6.805041 7.632874 
10.43955 
1 1 1 18  -8  11 o 93.89485 5.197456  1924.598       194.4964 1860.026       
328.0657 1959.594       241.5184 92.19103 8.476044 95.59866 6.017547 -3.407631 
10.39491 
1 1 1 18  -8  12 o 28.39081 7.556105  116.3493       126.2453 246.8113       
195.2253 22.58235       165.5080 33.65645 11.49701 23.12517 9.808038 10.53127 
15.11221 
1 1 1 18  -8  13 f 30.47011 7.398997  166.3162       131.8783 -37.80106      
194.9436 338.5525       179.0735 22.96140 10.17218 37.97882 10.74743 -15.01742 
14.79799 
1 1 1 18  -8  14 o 145.7425 6.995255  4729.046       422.7372 5440.053       
664.6265 4245.961       547.8383 154.3502 10.25632 137.1348 9.515371 17.21538 
13.99051 
1 1 1 18  -8  15 o 26.94641 7.578751  112.8107       128.2405 137.5791       
188.7268 91.56465       174.7927 28.13263 11.01199 25.76018 10.41566 2.372446 
15.15750 
1 1 1 18  -8  16 o 60.48030 6.435886  818.3192       155.7668 1115.713       
243.3475 611.8879       202.7444 70.29398 8.245745 50.66663 9.883837 19.62736 
12.87177 
1 1 1 18  -8  17 o 41.82687 7.481892  419.9936       135.5524 613.9318       
205.5170 270.6603       180.3409 50.28616 10.09016 33.36759 11.05004 16.91857 
14.96378 
1 1 1 18  -8  18 o 24.06731 7.272352  49.87558       130.3351 15.21424       
196.8080 76.95169       173.9454 23.61619 10.36148 24.51843 10.20726 
-0.9022408     14.54470 
1 1 1 18  -8  19 o 44.77995 9.056796  534.6533       172.0300 476.0609       
211.9570 647.7543       294.4831 42.28296 11.59668 47.27692 13.91471 -4.993961 
18.11359 
1 1 1 18  -8  20 f 29.61216 9.219099  124.5524       201.7726 199.4286       
389.7113 97.12981       235.8444 32.46025 14.38108 26.76408 11.53914 5.696165 
18.43820 
1 1 1 18  -8  21 o 53.20490 9.641623  860.1115       205.5458 864.7119       
386.1366 858.2925       242.8048 49.23033 16.16916 57.17947 10.50723 -7.949135 
19.28325 
1 1 1 18  -8  22 o 30.36128 9.177719  175.3007       178.1361 453.6190       
369.3971 90.96559       203.3419 35.97923 14.92005 24.74333 10.69178 11.23590 
18.35544 
1 1 1 18  -8  23 o 38.42369 9.490844  527.9301       200.4870 378.6601       
337.0106 609.6938       249.4237 33.15960 14.02634 43.68777 12.78931 -10.52818 
18.98169 
1 1 1 18  -8  24 o 37.10772 9.231114  503.4310       178.1749 498.2840       
322.2283 505.6977       213.8397 34.75202 14.10456 39.46341 11.91282 -4.711395 
18.46223 
1 1 1 18  -8  25 o 30.72351 9.179134  407.5589       202.9326 401.7860       
357.6184 410.3007       246.4558 29.53927 13.39031 31.90775 12.55889 -2.368481 
18.35827 
1 1 1 18  -7  0  o 132.2206 4.862282  3735.411       255.8344 3774.425       
316.1459 3661.391       435.4674 133.5050 5.640416 130.9363 7.921670 2.568710 
9.724565 
1 1 1 18  -7  1  o 121.5863 4.708493  3197.620       222.8539 3299.313       
271.3263 2986.783       390.6809 124.9039 5.174123 118.2686 7.868168 6.635292 
9.416986 
1 1 1 18  -7  2  o 52.31352 6.008214  588.9479       126.5924 763.7935       
189.0320 446.7676       170.4621 59.84647 7.523463 44.78057 9.369741 15.06590 
12.01643 
1 1 1 18  -7  3  o 70.09300 5.201738  1047.926       151.2263 1269.942       
218.9992 845.5696       209.0781 77.27893 6.749980 62.90707 7.916445 14.37186 
10.40348 
1 1 1 18  -7  4  o 94.76826 4.494878  1888.437       177.9014 1715.985       
237.4002 2109.316       268.6731 89.89459 6.290261 99.64192 6.422486 -9.747330 
8.989756 
1 1 1 18  -7  5  o 25.55700 7.253067  65.28851       121.0050 4.514194       
174.7243 121.3032       167.7429 23.49957 10.02570 27.61443 10.48395 -4.114855 
14.50613 
1 1 1 18  -7  6  f 75.06024 5.548196  1190.841       173.6002 1022.843       
232.1032 1404.154       261.5399 69.09823 8.000835 81.02226 7.688729 -11.92403 
11.09639 
1 1 1 18  -7  7  o 161.8406 5.159296  5598.885       350.5201 5497.136       
492.0923 5703.683       499.4093 160.3427 7.310018 163.3384 7.282649 -2.995697 
10.31859 
1 1 1 18  -7  8  o 62.57970 5.467544  845.7103       142.7000 781.5003       
208.7001 902.0875       195.5569 60.23895 8.252137 64.92046 7.174844 -4.681515 
10.93509 
1 1 1 18  -7  9  o 99.98818 5.043993  2131.203       210.9814 1903.197       
287.3325 2397.962       310.7921 94.17873 7.266962 105.7976 6.997051 -11.61890 
10.08799 
1 1 1 18  -7  10 o 40.65369 7.437760  398.0987       138.8836 166.1438       
216.2294 560.9913       181.2023 31.22742 11.88922 50.07998 8.940227 -18.85256 
14.87552 
1 1 1 18  -7  11 o 54.42282 6.473579  644.0326       143.5707 745.1080       
224.6718 574.2711       186.6525 58.31906 9.176123 50.52659 9.133875 7.792469 
12.94716 
1 1 1 18  -7  12 o 108.6994 5.296100  2538.168       229.7818 2628.684       
393.4154 2491.302       283.0858 109.6511 8.545934 107.7478 6.257931 1.903297 
10.59220 
1 1 1 18  -7  13 o 111.4415 4.898254  2653.434       227.6022 3120.648       
342.2583 2283.006       304.7528 120.1987 6.782272 102.6842 7.069114 17.51449 
9.796509 
1 1 1 18  -7  14 o 46.44585 6.995229  515.1776       147.2352 147.0559       
209.6839 873.2098       206.7904 29.74277 11.61445 63.14894 7.799836 -33.40616 
13.99046 
1 1 1 18  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -7  16 o 91.83967 5.548450  1858.587       213.0969 1670.614       
287.9269 2086.261       316.8782 86.70324 7.909845 96.97610 7.783030 -10.27286 
11.09690 
1 1 1 18  -7  17 o 28.76063 7.420787  149.8561       129.2540 -16.47783      
191.9453 287.8584       174.8358 22.94149 10.13737 34.57977 10.84002 -11.63828 
14.84157 
1 1 1 18  -7  18 o 57.32869 6.777625  795.0464       153.0829 527.0385       
215.6902 1067.076       217.3026 45.76440 11.28274 68.89299 7.512958 -23.12859 
13.55525 
1 1 1 18  -7  19 o 37.48980 8.317990  358.4601       141.8274 386.3349       
237.6178 343.0339       176.7680 38.17716 12.68400 36.80243 10.76438 1.374725 
16.63598 
1 1 1 18  -7  20 o 24.51220 7.481747  49.92934       141.5176 9.048389       
205.7496 86.63443       194.9583 23.59640 10.45231 25.42801 10.70773 -1.831615 
14.96349 
1 1 1 18  -7  21 o 24.77350 8.107471  -32.97262      173.5458 -24.71792      
353.0169 -35.60340      199.2908 27.67489 12.81055 21.87211 9.940531 5.802786 
16.21494 
1 1 1 18  -7  22 o 45.33882 9.978421  585.2068       188.0730 841.0466       
384.7339 504.8737       215.5876 48.40969 16.13976 42.26794 11.73813 6.141750 
19.95684 
1 1 1 18  -7  23 o 31.07852 7.988085  247.7455       172.9982 -219.2856      
308.7286 461.5177       208.8717 22.45730 10.84672 39.69973 11.72973 -17.24244 
15.97617 
1 1 1 18  -7  24 o 27.69136 8.698616  149.7164       206.7191 34.49863       
300.4758 253.2555       284.8405 25.47445 11.80226 29.90828 12.78164 -4.433836 
17.39723 
1 1 1 18  -7  25 o 29.07204 9.114915  253.3876       217.0551 407.6279       
341.7182 149.0684       281.0291 31.90859 13.82501 26.23549 11.88258 5.673105 
18.22983 
1 1 1 18  -7  26 o 29.34675 9.061194  353.1792       239.0694 -10.56171      
385.6250 580.2546       304.6871 23.83652 11.64427 34.85698 13.88639 -11.02045 
18.12239 
1 1 1 18  -6  0  o 75.94766 4.073529  1138.574       121.4698 1005.006       
144.5218 1459.984       224.1883 68.96115 4.991717 82.93417 6.438735 -13.97302 
8.147058 
1 1 1 18  -6  1  o 96.75833 4.420985  1935.086       160.7765 1874.429       
187.8296 2101.341       310.9646 94.20866 4.748913 99.30801 7.458436 -5.099358 
8.841970 
1 1 1 18  -6  2  o 96.17876 4.983278  1970.478       200.8153 2112.408       
283.9469 1828.450       284.0446 99.69513 6.783974 92.66239 7.301365 7.032738 
9.966557 
1 1 1 18  -6  3  o 67.23637 4.959349  954.1642       138.6325 1158.468       
205.3166 782.9695       187.9451 73.84826 6.622237 60.62449 7.384210 13.22377 
9.918698 
1 1 1 18  -6  4  o 147.0730 5.684563  4642.289       345.4037 4747.969       
453.1960 4495.825       533.5246 149.3249 7.228944 144.8211 8.774929 4.503799 
11.36913 
1 1 1 18  -6  5  o 120.2215 4.794969  3068.641       239.8261 3105.614       
365.4126 3040.664       317.8668 120.7576 7.207591 119.6854 6.325943 1.072250 
9.589938 
1 1 1 18  -6  6  o 81.91982 4.501743  1421.807       154.4217 1283.865       
213.2877 1573.774       223.8668 77.72821 6.535941 86.11143 6.192272 -8.383217 
9.003486 
1 1 1 18  -6  7  o 132.1193 5.663157  3713.016       312.2737 3544.700       
415.9364 3930.445       472.7406 128.8052 7.691562 135.4334 8.314158 -6.628174 
11.32631 
1 1 1 18  -6  8  o 27.30531 7.196462  83.03510       125.6481 -104.3871      
185.7659 241.0839       170.5890 21.09186 9.588952 33.51877 10.73351 -12.42691 
14.39292 
1 1 1 18  -6  9  o 96.68825 4.944984  2007.350       199.5756 2152.226       
275.1035 1846.394       289.9680 100.4991 6.520112 92.87740 7.436372 7.621696 
9.889969 
1 1 1 18  -6  10 o 52.76210 7.242217  622.7762       156.0543 830.1232       
226.1320 434.2404       215.6305 61.96626 8.692161 43.55793 11.58642 18.40833 
14.48443 
1 1 1 18  -6  11 o 45.86122 7.628720  492.5802       145.0504 386.0710       
219.1893 575.5637       193.4736 41.08951 11.97647 50.63293 9.452706 -9.543419 
15.25744 
1 1 1 18  -6  12 o 38.61627 8.139840  341.2216       141.5307 322.5957       
212.8552 355.9821       189.4861 37.84979 11.97653 39.38275 11.02681 -1.532963 
16.27968 
1 1 1 18  -6  13 o 68.38260 5.829393  943.8272       159.0714 1272.766       
284.2576 793.8529       191.9389 76.21815 8.883310 60.54704 7.550767 15.67110 
11.65879 
1 1 1 18  -6  14 o 92.27367 5.001554  1793.977       189.6319 1621.922       
240.3313 2077.805       308.6772 86.74490 6.599143 97.80243 7.517545 -11.05753 
10.00311 
1 1 1 18  -6  15 o 79.79460 4.822511  1374.343       161.1108 1449.816       
238.8585 1311.345       218.2269 81.74512 6.959851 77.84409 6.677343 3.901039 
9.645021 
1 1 1 18  -6  16 o 88.05808 5.437309  1705.694       199.8598 1689.266       
297.9060 1719.140       269.5113 87.44781 8.114306 88.66836 7.239846 -1.220551 
10.87462 
1 1 1 18  -6  17 o 49.91223 6.937788  583.7975       141.7442 516.8431       
208.0863 641.7595       193.6090 46.34290 10.87111 53.48157 8.622684 -7.138672 
13.87558 
1 1 1 18  -6  18 o 35.89801 7.898320  302.0313       133.4047 407.5101       
201.9819 220.4140       177.6728 40.56744 11.39306 31.22858 10.94221 9.338856 
15.79664 
1 1 1 18  -6  19 o 33.36132 7.913325  271.0462       131.0358 231.7354       
205.6244 297.9260       170.0327 31.90642 11.71144 34.81622 10.64542 -2.909800 
15.82665 
1 1 1 18  -6  20 o 37.24861 8.434375  360.7342       149.5390 333.0810       
211.4828 388.3861       211.4774 35.95088 11.96615 38.54634 11.88974 -2.595463 
16.86875 
1 1 1 18  -6  21 o 47.28556 10.16248  571.9063       194.0070 903.3160       
401.6296 471.0405       221.5721 52.84589 16.40244 41.72523 12.00267 11.12066 
20.32496 
1 1 1 18  -6  22 o 30.80599 9.402692  187.5905       215.0638 47.64094       
419.7784 237.3976       250.4264 30.32710 14.01192 31.28488 12.54227 
-0.9577751     18.80538 
1 1 1 18  -6  23 o 32.02374 9.448127  260.5026       211.2887 349.6487       
316.5625 188.8844       283.7396 34.32597 13.96376 29.72152 12.73114 4.604450 
18.89625 
1 1 1 18  -6  24 o 33.55827 9.551661  348.2592       206.4486 427.0946       
303.9587 280.7476       281.2828 35.68653 13.97385 31.43001 13.02568 4.256519 
19.10332 
1 1 1 18  -6  25 o 33.88407 9.878246  351.3397       222.5278 681.1740       
373.5826 169.9541       277.0386 40.11322 15.53582 27.65492 12.20480 12.45830 
19.75649 
1 1 1 18  -6  26 o 24.21384 8.260954  -60.03076      257.8235 -341.7865      
437.8115 89.55589       319.0048 22.99842 11.44835 25.42926 11.91255 -2.430841 
16.52191 
1 1 1 18  -6  27 o 23.31227 7.978629  17.66932       229.3773 25.74634       
400.2142 13.71827       279.9128 24.20992 11.83500 22.41461 10.70359 1.795313 
15.95726 
1 1 1 18  -5  0  o 71.04420 4.374386  1104.726       124.5963 1209.981       
159.3321 939.0470       199.9013 75.66464 5.015698 66.42377 7.168249 9.240868 
8.748773 
1 1 1 18  -5  1  o 160.8743 6.122929  5522.163       402.3242 5454.010       
511.6240 5632.595       651.2632 159.9390 7.619344 161.8096 9.586794 -1.870590 
12.24586 
1 1 1 18  -5  2  o 199.6807 7.520750  8611.019       629.9120 8969.069       
914.9719 8288.413       868.5039 203.5815 10.70509 195.7799 10.56635 7.801605 
15.04150 
1 1 1 18  -5  3  o 82.28136 4.502413  1411.343       153.2592 1802.104       
232.7706 1112.314       203.6243 92.20634 6.012962 72.35636 6.703073 19.84998 
9.004827 
1 1 1 18  -5  4  o 118.5226 5.125840  2993.900       254.4698 2751.392       
358.7452 3239.485       361.0149 113.6234 7.520371 123.4218 6.967134 -9.798424 
10.25168 
1 1 1 18  -5  5  o 80.47043 4.833073  1407.604       158.9429 1556.793       
209.8193 1206.715       243.4756 85.72424 5.829922 75.21662 7.710148 10.50762 
9.666145 
1 1 1 18  -5  6  o 49.06214 6.512035  528.4286       130.4859 421.4063       
182.2469 640.9995       186.9114 43.35725 10.17574 54.76704 8.129010 -11.40979 
13.02407 
1 1 1 18  -5  7  o 95.82032 4.414193  1899.323       172.0448 2142.878       
287.4526 1763.379       214.7576 100.3863 6.820445 91.25430 5.605526 9.132034 
8.828385 
1 1 1 18  -5  8  o 145.7949 5.341369  4547.043       322.3621 4607.039       
423.7730 4464.648       496.6220 147.1467 6.859678 144.4431 8.189366 2.703659 
10.68274 
1 1 1 18  -5  9  o 67.02039 5.708977  971.7673       158.0896 779.3449       
224.0782 1162.462       223.0701 60.20951 8.864530 73.83126 7.196513 -13.62175 
11.41795 
1 1 1 18  -5  10 o 67.99042 5.531920  958.5370       155.1449 1174.612       
249.3062 821.9715       198.1990 74.00698 8.023827 61.97385 7.617529 12.03313 
11.06384 
1 1 1 18  -5  11 o 105.7922 4.727386  2388.110       209.9148 2347.218       
292.8533 2431.323       301.0450 104.8700 6.651505 106.7143 6.719388 -1.844292 
9.454771 
1 1 1 18  -5  12 o 122.9582 5.337470  3253.845       272.4753 3229.720       
416.3483 3271.917       360.3631 122.3354 8.106354 123.5810 6.945600 -1.245544 
10.67494 
1 1 1 18  -5  13 o 65.92880 5.709933  940.1505       157.6754 956.8201       
231.8501 925.8068       215.0677 66.41090 8.315510 65.44671 7.827236 0.9641953 
11.41987 
1 1 1 18  -5  14 f 38.64778 7.330372  334.8476       132.6611 143.3016       
186.7857 529.8176       188.4477 29.00848 11.04846 48.28707 9.636851 -19.27859 
14.66074 
1 1 1 18  -5  15 o 94.29314 4.847232  1910.667       191.3696 2043.001       
283.7134 1800.198       259.2173 97.23840 6.949654 91.34786 6.759065 5.890541 
9.694465 
1 1 1 18  -5  16 o 45.70323 7.655611  495.3410       145.4211 411.1352       
211.7146 570.5539       200.0902 41.66140 11.65268 49.74506 9.932192 -8.083664 
15.31122 
1 1 1 18  -5  17 o 26.52394 7.639521  85.75185       132.1700 101.0708       
207.6880 75.32517       171.3446 27.84091 11.31552 25.20697 10.26685 2.633944 
15.27904 
1 1 1 18  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -5  19 o 75.17661 5.442644  1265.276       169.2494 1245.803       
260.8994 1279.425       222.3948 74.26228 8.368081 76.09094 6.961660 -1.828659 
10.88529 
1 1 1 18  -5  20 o 51.14342 6.735279  566.8453       138.7662 1061.543       
229.2416 280.7438       174.3345 68.40549 7.982216 33.88136 10.85081 34.52413 
13.47056 
1 1 1 18  -5  21 o 51.75768 8.526520  662.6968       173.5373 577.4230       
211.0513 840.6930       304.9199 47.81797 10.77147 55.69740 13.22050 -7.879429 
17.05304 
1 1 1 18  -5  22 o 34.75599 9.993769  241.3294       229.7068 542.8318       
373.2867 57.57738       291.4159 41.62067 15.68694 27.89131 12.38634 13.72936 
19.98754 
1 1 1 18  -5  23 o 37.83332 10.09796  435.1085       226.1445 545.8057       
307.7831 305.2318       333.3819 41.67986 14.42107 33.98679 14.13888 7.693077 
20.19592 
1 1 1 18  -5  24 o 28.16710 8.842675  116.3804       209.2860 135.3649       
305.5936 99.61120       287.2112 28.76345 12.74010 27.57074 12.26627 1.192717 
17.68535 
1 1 1 18  -5  25 f 30.24642 9.561783  213.6437       248.8076 174.8796       
366.0981 246.9161       339.1761 29.67803 13.48415 30.81481 13.56055 -1.136780 
19.12357 
1 1 1 18  -5  26 o 54.37154 11.06759  1106.253       261.3747 1253.995       
424.0493 1015.731       331.9253 54.77573 16.82435 53.96737 14.38428 0.8083611 
22.13518 
1 1 1 18  -5  27 o 21.98969 7.597470  -124.6514      213.0494 -209.8309      
412.2934 -93.62060      248.8485 23.24683 11.48743 20.73256 9.946115 2.514277 
15.19494 
1 1 1 18  -5  28 o 19.15082 6.646128  -211.1287      187.9424 -486.8059      
308.2488 -48.00657      237.1141 17.88869 9.010167 20.41295 9.772458 -2.524261 
13.29226 
1 1 1 18  -4  0  o 37.51904 6.148657  336.2250       98.31790 433.8459       
124.4253 173.9545       160.4195 45.19492 6.557528 29.84315 10.40302 15.35177 
12.29731 
1 1 1 18  -4  1  o 53.92030 5.785970  620.8065       130.8937 592.0118       
181.7899 651.8063       188.6225 52.61792 8.229188 55.22268 8.135739 -2.604755 
11.57194 
1 1 1 18  -4  2  o 136.3510 4.772962  3962.118       264.9497 3996.057       
336.8485 3907.055       429.0538 137.3301 5.842381 135.3720 7.549255 1.958145 
9.545924 
1 1 1 18  -4  3  o 183.4014 6.123737  7232.120       457.6956 7090.349       
737.6453 7320.870       583.6312 181.4743 9.681743 185.3286 7.500966 -3.854279 
12.24747 
1 1 1 18  -4  4  o 76.00362 4.266090  1178.255       131.1825 1396.886       
223.8490 1063.896       161.8961 81.10035 6.574359 70.90690 5.438373 10.19345 
8.532180 
1 1 1 18  -4  5  o 38.16525 6.617364  292.2641       108.5040 512.6924       
176.2462 157.7289       137.6905 48.14867 9.051624 28.18184 9.655369 19.96683 
13.23473 
1 1 1 18  -4  6  o 171.0929 6.034282  6221.735       414.0495 6413.979       
701.7614 6119.073       512.8230 172.6334 9.682462 169.5525 7.204177 3.080872 
12.06856 
1 1 1 18  -4  7  o 78.99704 4.718859  1325.796       156.4771 1293.822       
220.7250 1358.101       221.8635 78.03043 6.737653 79.96365 6.608674 -1.933228 
9.437718 
1 1 1 18  -4  8  o 103.5176 4.587602  2286.489       196.9440 2353.267       
261.2942 2198.653       299.6759 105.3772 5.906147 101.6580 7.021523 3.719185 
9.175203 
1 1 1 18  -4  9  o 48.29514 7.441290  517.7414       145.9951 584.0385       
220.1968 465.7360       195.0240 51.04576 10.62581 45.54452 10.42033 5.501244 
14.88258 
1 1 1 18  -4  10 o 53.95919 7.031825  656.5340       152.9036 516.9681       
226.0655 774.2203       207.5906 47.78888 11.40899 60.12949 8.223207 -12.34061 
14.06365 
1 1 1 18  -4  11 o 101.0492 5.043041  2168.843       212.5914 2095.540       
283.1287 2263.588       321.8859 99.17501 6.799902 102.9234 7.449187 -3.748390 
10.08608 
1 1 1 18  -4  12 o 86.25976 5.083489  1592.942       182.4454 1579.851       
276.4121 1603.048       242.8644 85.83479 7.670342 86.68472 6.673327 
-0.8499298     10.16698 
1 1 1 18  -4  13 o 73.01266 5.146086  1137.450       157.1268 1076.975       
211.1794 1212.448       235.1738 70.88938 7.095636 75.13594 7.455250 -4.246559 
10.29217 
1 1 1 18  -4  14 o 52.14165 6.976898  614.3451       146.9547 616.7784       
202.8465 611.6573       213.1896 52.33901 9.588627 51.94429 10.13739 0.3947144 
13.95380 
1 1 1 18  -4  15 o 116.4179 5.287977  2907.906       256.6073 2750.516       
339.6840 3117.115       391.6293 112.9169 7.165345 119.9189 7.778729 -7.001968 
10.57595 
1 1 1 18  -4  16 o 65.65192 5.956923  921.8976       162.2983 1114.795       
252.7351 786.5266       211.7218 71.35856 8.436079 59.94527 8.412627 11.41329 
11.91385 
1 1 1 18  -4  17 o 88.67570 5.066980  1697.342       187.7727 1941.530       
277.2266 1490.357       255.2358 94.60687 6.979644 82.74454 7.347225 11.86233 
10.13396 
1 1 1 18  -4  18 o 89.09723 5.209792  1738.380       194.8205 1727.865       
278.3588 1748.478       272.7621 88.78275 7.467881 89.41171 7.266257 
-0.6289673     10.41958 
1 1 1 18  -4  19 o 62.68977 5.660300  859.9408       147.2758 970.9513       
230.3754 783.2160       191.5237 65.90981 8.325439 59.46974 7.670922 6.440067 
11.32060 
1 1 1 18  -4  20 o 71.37625 5.486101  1134.903       163.1437 1186.102       
248.4043 1096.067       216.3440 72.55156 8.155178 70.20095 7.340456 2.350609 
10.97220 
1 1 1 18  -4  21 o 63.42811 8.394597  1086.071       193.6104 1206.579       
232.2025 811.1823       350.7013 73.16669 7.559177 53.68954 14.99119 19.47715 
16.78919 
1 1 1 18  -4  22 o 51.42167 10.31546  764.8279       232.7346 747.9534       
348.9721 778.3456       312.3393 50.15717 15.23382 52.68617 13.91280 -2.528999 
20.63093 
1 1 1 18  -4  23 o 36.88866 9.888326  380.2710       212.8258 305.9703       
301.7346 453.8342       300.2333 34.45767 13.78682 39.31966 14.17884 -4.861988 
19.77665 
1 1 1 18  -4  24 o 28.12144 8.927289  66.30541       211.9063 168.8410       
346.4055 4.990541       267.8738 30.82650 13.62043 25.41638 11.54425 5.410122 
17.85458 
1 1 1 18  -4  25 o 41.21346 10.01775  501.8573       196.0360 772.3127       
360.0608 387.9091       233.7124 46.44509 15.61366 35.98184 12.55528 10.46325 
20.03550 
1 1 1 18  -4  26 o 28.58842 9.045094  136.7180       196.7941 330.7815       
389.5978 70.24204       228.0221 32.53502 14.40106 24.64183 10.94825 7.893188 
18.09019 
1 1 1 18  -4  27 o 20.39298 9.621321  -378.3860      195.9611 -1625.113      
449.2233 -85.39341      217.7735 ?        ?        20.39298 9.621321 ? ? 
1 1 1 18  -4  28 o 25.62280 8.108585  176.0366       178.2003 206.3439       
273.0251 153.5436       235.2086 26.37090 11.83942 24.87471 11.08263 1.496181 
16.21717 
1 1 1 18  -3  0  o 89.41095 3.210923  1696.595       117.6471 1730.760       
151.6344 1644.926       186.4735 90.60529 3.986256 88.21661 5.034865 2.388672 
6.421846 
1 1 1 18  -3  1  o 148.6318 5.962350  4725.745       371.6085 4693.892       
512.3963 4761.086       539.7365 148.1684 8.237047 149.0952 8.622617 
-0.9268799     11.92470 
1 1 1 18  -3  2  o 62.43866 4.774844  830.8166       122.5924 839.9916       
158.6863 817.2344       193.0713 62.94791 6.004531 61.92942 7.425776 1.018486 
9.549688 
1 1 1 18  -3  3  o 65.87561 4.735381  918.5778       130.7064 995.0111       
191.6408 852.0980       178.7275 68.43102 6.670465 63.32020 6.723111 5.110813 
9.470761 
1 1 1 18  -3  4  o 71.94586 4.626911  1090.179       138.9781 944.7032       
187.9508 1265.680       206.4368 66.67220 6.714604 77.21952 6.367677 -10.54733 
9.253822 
1 1 1 18  -3  5  o 172.6136 6.790217  6379.723       479.2229 6267.276       
609.8210 6561.291       774.9057 171.1015 8.489255 174.1256 10.60003 -3.024078 
13.58043 
1 1 1 18  -3  6  o 254.2510 10.08996  14311.27       1075.796 14091.67       
1481.918 14555.95       1564.228 252.4574 13.98160 256.0446 14.55142 -3.587219 
20.17992 
1 1 1 18  -3  7  o 43.04486 7.123073  414.9901       126.5767 417.2922       
179.1956 412.6977       178.8179 43.16709 10.06378 42.92264 10.08331 0.2444458 
14.24615 
1 1 1 18  -3  8  o 25.87406 6.778179  92.65318       108.9997 -75.58369      
174.6963 199.8979       139.4797 21.11454 9.475220 30.63359 9.695106 -9.519049 
13.55636 
1 1 1 18  -3  9  o 30.78009 7.454768  165.1882       131.2157 -31.24241      
200.5057 312.3302       173.5363 24.08423 10.51331 37.47595 10.57188 -13.39172 
14.90954 
1 1 1 18  -3  10 o 144.5711 5.178518  4451.275       308.2048 4460.863       
486.0107 4444.825       398.6052 144.4924 8.011651 144.6498 6.563661 
-0.1574707     10.35704 
1 1 1 18  -3  11 o 25.72303 7.602343  34.25195       137.6738 0.7167934      
204.5531 62.02330       186.1463 25.23829 10.81015 26.20778 10.69220 
-0.9694805     15.20469 
1 1 1 18  -3  12 o 68.56264 5.968327  1027.332       167.3667 773.5190       
238.4153 1273.938       235.0059 59.85976 9.486810 77.26553 7.244595 -17.40576 
11.93665 
1 1 1 18  -3  13 o 110.5861 4.652245  2622.368       206.3376 2660.954       
257.5627 2553.237       344.7527 111.9876 5.478152 109.1845 7.520864 2.803101 
9.304490 
1 1 1 18  -3  14 o 97.51007 5.303617  2034.342       215.3043 1984.194       
285.1098 2100.892       328.4395 96.24361 7.056045 98.77654 7.919952 -2.532936 
10.60723 
1 1 1 18  -3  15 o 97.79906 4.577489  2042.651       187.5601 1974.864       
255.6122 2121.721       276.0675 96.08535 6.336441 99.51278 6.607809 -3.427429 
9.154978 
1 1 1 18  -3  16 o 25.64982 7.615213  25.11253       138.6369 109.2150       
212.9046 -36.80162      182.6735 28.83182 11.56217 22.46782 9.913736 6.363998 
15.23043 
1 1 1 18  -3  17 f 101.1033 5.221835  2206.749       220.7991 2327.925       
329.9702 2108.499       297.1210 103.5127 7.592807 98.69393 7.170740 4.818733 
10.44367 
1 1 1 18  -3  18 o 76.60463 5.643674  1276.095       180.7896 1163.912       
243.2292 1414.587       270.2504 72.88531 7.948715 80.32394 8.013872 -7.438637 
11.28735 
1 1 1 18  -3  19 o 83.11366 5.759233  1527.159       200.9166 1571.959       
287.1107 1484.167       281.2576 84.32580 8.109797 81.90151 8.179625 2.424286 
11.51847 
1 1 1 18  -3  20 o 21.13992 6.702406  -94.68766      133.1821 -312.1276      
210.7528 49.87505       171.8430 18.19176 8.820569 24.08808 10.09389 -5.896320 
13.40481 
1 1 1 18  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -3  22 o 27.84839 8.210853  111.2339       158.2011 143.6634       
200.9134 58.31971       256.6407 28.16990 11.25881 27.52689 11.95456 0.6430111 
16.42171 
1 1 1 18  -3  23 o 46.99915 9.667369  613.2864       197.1612 665.8279       
327.6030 583.4488       246.8759 47.44236 14.83175 46.55594 12.40368 0.8864174 
19.33474 
1 1 1 18  -3  24 o 41.08221 9.676385  462.1436       205.9933 744.4364       
315.2460 251.7961       272.1248 49.83136 14.31101 32.33306 13.02785 17.49831 
19.35277 
1 1 1 18  -3  25 o 32.06084 9.357261  260.9393       198.1258 183.8414       
381.1184 289.4909       231.9281 31.47830 14.06375 32.64339 12.34683 -1.165085 
18.71452 
1 1 1 18  -3  26 f 37.24260 10.09930  434.0368       204.2469 575.6364       
401.8869 384.7275       237.1579 38.90371 15.76730 35.58149 12.62442 3.322216 
20.19860 
1 1 1 18  -3  27 f 67.23940 10.66968  860.7892       227.9850 3274.107       
650.1846 522.4666       243.4416 94.22549 17.06265 40.25330 12.81540 53.97219 
21.33937 
1 1 1 18  -3  28 o 31.85373 9.075850  318.2703       199.8924 93.81712       
270.8007 586.9804       296.2981 25.14620 11.47093 38.56125 14.06776 -13.41504 
18.15170 
1 1 1 18  -3  29 o 19.57607 6.807793  -234.7137      198.7946 -95.00854      
272.1335 -394.5709      291.0999 20.87529 10.09998 18.27684 9.130974 2.598450 
13.61559 
1 1 1 18  -2  0  f 165.7596 5.510104  5919.508       375.0680 6177.281       
488.9585 5551.004       584.6213 170.4922 6.831067 161.0270 8.647629 9.465225 
11.02021 
1 1 1 18  -2  1  o 82.49698 4.367632  1439.240       150.0407 1472.468       
228.2923 1413.973       199.0749 83.28468 6.529008 81.70929 5.803180 1.575386 
8.735265 
1 1 1 18  -2  2  o 63.00437 4.914178  853.5594       127.3415 898.8893       
166.9970 790.5836       196.8353 65.11642 6.108564 60.89231 7.699483 4.224113 
9.828357 
1 1 1 18  -2  3  o 104.8928 4.478304  2342.711       196.4315 2207.515       
285.2761 2464.603       270.8753 101.9450 6.665313 107.8407 5.982844 -5.895752 
8.956608 
1 1 1 18  -2  4  o 31.25040 7.232897  192.7726       115.9050 83.42037       
165.8972 297.0486       162.0010 25.94445 10.27462 36.55635 10.18289 -10.61190 
14.46579 
1 1 1 18  -2  5  o 127.5745 4.960552  3381.978       257.7255 3152.217       
322.5275 3787.847       428.6682 121.8826 6.302979 133.2664 7.661641 -11.38371 
9.921103 
1 1 1 18  -2  6  o 146.7185 5.857243  4607.017       360.4462 4521.595       
518.1688 4687.103       501.7246 145.3304 8.492503 148.1065 8.068863 -2.776077 
11.71449 
1 1 1 18  -2  7  o 103.0265 4.551176  2237.993       196.1208 2441.217       
293.1872 2073.415       263.8414 107.2162 6.513365 98.83670 6.358370 8.379547 
9.102351 
1 1 1 18  -2  8  o 106.2795 4.503210  2309.494       189.4687 2149.019       
228.7953 2659.717       337.9995 100.7810 5.407415 111.7780 7.202461 -10.99700 
9.006419 
1 1 1 18  -2  9  o 115.3940 4.954991  2854.859       238.0182 2510.255       
343.5907 3172.809       330.0356 108.5257 7.541015 122.2622 6.429685 -13.73646 
9.909982 
1 1 1 18  -2  10 o 129.3547 5.592158  3580.630       302.7058 3437.926       
440.6489 3708.151       416.5482 126.8055 8.277051 131.9038 7.521925 -5.098297 
11.18432 
1 1 1 18  -2  11 o 105.2177 4.623215  2350.186       204.1516 2440.959       
292.0022 2263.389       285.5343 107.2137 6.487198 103.2217 6.588833 3.991989 
9.246429 
1 1 1 18  -2  12 o 88.14901 5.245894  1638.811       193.0683 1859.480       
291.4540 1466.259       257.7260 93.37560 7.434601 82.92242 7.402994 10.45319 
10.49179 
1 1 1 18  -2  13 o 49.40895 6.937245  545.1235       140.4820 393.9219       
198.1943 697.7905       199.1524 41.77547 11.10619 57.04243 8.315886 -15.26696 
13.87449 
1 1 1 18  -2  14 o 75.52787 5.184579  1220.207       164.1243 1128.589       
229.7153 1315.742       234.5747 72.59190 7.537422 78.46384 7.120864 -5.871933 
10.36916 
1 1 1 18  -2  15 o 73.07978 5.499661  1178.046       164.1726 1349.573       
220.1767 963.2695       246.3763 79.47276 6.598937 66.68680 8.799950 12.78596 
10.99932 
1 1 1 18  -2  16 o 170.8359 7.039681  6494.153       487.3952 6077.802       
783.6057 6756.864       622.4518 165.2053 11.29782 176.4665 8.401648 -11.26123 
14.07936 
1 1 1 18  -2  17 o 59.88091 7.190393  798.6345       176.3492 710.5137       
238.3536 905.2120       262.1291 55.73098 10.57005 64.03083 9.750957 -8.299854 
14.38079 
1 1 1 18  -2  18 f 69.35233 6.286232  1069.735       178.9185 1329.450       
254.5783 816.2481       251.5077 78.14565 7.759572 60.55902 9.892214 17.58663 
12.57246 
1 1 1 18  -2  19 o 33.40164 8.081861  216.9212       139.7566 370.1281       
218.4969 110.8408       181.8126 39.59415 12.05983 27.20913 10.76227 12.38502 
16.16372 
1 1 1 18  -2  20 o 42.64108 8.221299  418.3462       157.4662 635.1842       
239.4280 253.0650       209.0350 51.47776 11.38185 33.80441 11.86645 17.67336 
16.44260 
1 1 1 18  -2  21 o 27.69842 7.371668  98.86626       135.5323 -128.0399      
203.4411 279.9336       181.7338 20.99418 9.720731 34.40266 11.08483 -13.40848 
14.74334 
1 1 1 18  -2  22 o 94.47607 9.273829  2062.934       367.8407 0.000000       
0.000000 2062.934       367.8407 ?        ?        94.47607 9.273829 ? ? 
1 1 1 18  -2  23 o 20.01283 6.875732  -314.6655      175.4284 -400.6415      
293.7063 -266.9812      218.7321 21.03675 10.25504 18.98891 9.161714 2.047844 
13.75146 
1 1 1 18  -2  24 o 46.45385 8.824737  630.8080       194.1133 320.2298       
306.5976 838.5875       250.7753 35.34874 13.97769 57.55896 10.77627 -22.21022 
17.64947 
1 1 1 18  -2  25 o 47.56523 9.414822  718.1725       205.2171 473.1161       
379.9081 819.1381       243.8554 38.81946 15.49317 56.31100 10.70126 -17.49155 
18.82964 
1 1 1 18  -2  26 f 55.30888 9.548580  986.0950       226.8959 734.9285       
396.7672 1108.147       276.5842 44.63356 16.27942 65.98419 9.984090 -21.35063 
19.09716 
1 1 1 18  -2  27 o 24.60276 8.264886  -110.2377      214.6525 67.86710       
369.3362 -201.0823      263.7749 28.15859 13.06081 21.04693 10.13157 7.111662 
16.52977 
1 1 1 18  -2  28 o 25.49947 8.296905  30.87303       209.9991 -135.3992      
303.6593 183.2873       290.7298 22.84468 10.96606 28.15425 12.45392 -5.309568 
16.59381 
1 1 1 18  -2  29 o 22.82580 7.648542  -30.82443      195.8109 -124.2533      
269.4328 73.76019       285.0649 21.08032 10.17015 24.57128 11.42667 -3.490953 
15.29708 
1 1 1 18  -2  30 o 25.66968 8.471673  139.7560       223.7515 -79.96172      
293.3148 445.5794       346.0484 21.37139 10.37588 29.96797 13.39470 -8.596573 
16.94335 
1 1 1 18  -1  0  o 40.37811 6.264775  367.6038       105.3384 451.2980       
141.7516 264.3858       157.4193 46.05396 7.331316 34.70226 10.16078 11.35170 
12.52955 
1 1 1 18  -1  1  o 55.84029 4.757885  663.1077       110.0716 655.1105       
169.4033 668.9510       144.8047 55.49562 7.270832 56.18495 6.138802 
-0.6893272     9.515770 
1 1 1 18  -1  2  o 80.57555 4.172829  1370.235       139.9272 1341.110       
185.1377 1409.037       213.6938 79.62213 5.538373 81.52897 6.243112 -1.906837 
8.345658 
1 1 1 18  -1  3  o 81.78616 4.298878  1415.375       147.4163 1317.141       
204.7127 1521.185       212.4594 78.82919 6.185555 84.74312 5.971625 -5.913925 
8.597755 
1 1 1 18  -1  4  o 67.01773 4.866871  951.8522       136.5965 988.2796       
201.7579 921.0241       185.6048 68.17872 7.048600 65.85674 6.712897 2.321983 
9.733743 
1 1 1 18  -1  5  o 113.1321 3.802430  2684.565       178.5836 2564.678       
233.4690 2853.627       277.2466 110.1641 5.047894 116.1001 5.687939 -5.935959 
7.604860 
1 1 1 18  -1  6  o 104.6963 4.426183  2325.120       194.3301 2326.616       
281.6667 2323.760       268.4574 104.7023 6.407670 104.6902 6.107877 
0.1210022E-01  8.852366 
1 1 1 18  -1  7  o 94.91826 4.658667  1888.552       180.8993 2023.576       
294.8810 1807.073       229.0672 97.49394 7.204275 92.34258 5.908563 5.151360 
9.317333 
1 1 1 18  -1  8  o 104.5331 4.530971  2323.457       197.0585 2290.943       
298.2079 2348.659       262.5507 103.8009 6.842884 105.2654 5.940852 -1.464516 
9.061941 
1 1 1 18  -1  9  o 157.4619 5.362596  5286.514       354.4897 5284.522       
504.0062 5288.464       498.6844 157.4189 7.626057 157.5048 7.541419 
-0.8589172E-01 10.72519 
1 1 1 18  -1  10 o 107.1260 5.474545  2448.260       246.1779 2496.609       
347.9040 2399.776       348.3929 108.2037 7.658406 106.0482 7.825047 2.155457 
10.94909 
1 1 1 18  -1  11 o 51.66886 6.647953  564.5794       151.7356 72.70157       
200.2112 1228.371       232.5818 27.38483 11.11674 75.95289 7.293778 -48.56806 
13.29591 
1 1 1 18  -1  12 o 25.07253 7.473557  22.95544       133.8150 -1.313942      
203.9803 41.29093       177.2986 25.16714 10.78785 24.97791 10.34595 0.1892281 
14.94711 
1 1 1 18  -1  13 o 66.86961 5.353827  944.6343       149.3061 808.3845       
201.1337 1111.865       222.8307 61.52087 7.787236 72.21836 7.349343 -10.69749 
10.70765 
1 1 1 18  -1  14 o 33.04597 7.629089  202.1874       133.6092 43.00215       
186.2953 370.7879       191.7255 25.51577 10.58919 40.57616 10.98549 -15.06039 
15.25818 
1 1 1 18  -1  15 o 157.8348 6.195195  5300.711       402.0180 5029.461       
513.2260 5731.422       646.7221 153.0393 7.987792 162.6303 9.471904 -9.591019 
12.39039 
1 1 1 18  -1  16 o 137.1565 6.037133  4075.012       346.5648 3703.367       
488.6766 4451.071       491.5697 130.6763 8.907292 143.6366 8.151566 -12.96030 
12.07427 
1 1 1 18  -1  17 o 51.09183 7.682953  593.2160       165.0197 850.5059       
239.3479 360.1038       227.8246 62.39981 9.136237 39.78384 12.35477 22.61597 
15.36591 
1 1 1 18  -1  18 o 30.61875 7.649687  41.49177       160.7226 411.0420       
226.1039 -335.9565      228.5073 41.97346 12.14132 19.26403 9.309085 22.70944 
15.29937 
1 1 1 18  -1  19 o 90.35664 5.356077  1734.727       197.0241 1943.289       
327.7347 1616.694       246.5508 94.20057 8.286860 86.51270 6.788091 7.687866 
10.71215 
1 1 1 18  -1  20 o 24.10949 7.427331  -4.384830      139.2423 -7.577166      
216.2994 -2.125668      181.9595 24.99906 10.91602 23.21991 10.07479 1.779146 
14.85466 
1 1 1 18  -1  21 f 42.58214 8.220189  437.3267       149.5336 455.2430       
232.4483 424.6779       195.3116 43.09907 12.26037 42.06520 10.95305 1.033863 
16.44038 
1 1 1 18  -1  22 o 41.01546 7.717237  381.2277       146.8559 660.6472       
224.2337 171.3608       194.3321 52.47203 10.54975 29.55890 11.26613 22.91313 
15.43447 
1 1 1 18  -1  23 o 37.39518 9.512142  331.1108       186.4095 453.1615       
304.7884 258.1742       235.6140 41.25319 14.34329 33.53718 12.49773 7.716011 
19.02428 
1 1 1 18  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  -1  25 o 56.91905 10.60479  969.8187       249.3948 978.8354       
434.4874 965.3883       304.5646 54.01425 17.11310 59.82385 12.52949 -5.809605 
21.20958 
1 1 1 18  -1  26 o 62.78857 10.32320  1203.496       263.8792 1144.437       
419.7441 1242.092       339.3182 58.47633 16.42432 67.10080 12.51063 -8.624470 
20.64641 
1 1 1 18  -1  27 o 31.53784 9.752047  235.7674       238.6620 194.6453       
429.5526 254.1303       287.0446 31.71027 14.46038 31.36541 13.08843 0.3448544 
19.50409 
1 1 1 18  -1  28 f 50.11602 9.654556  629.3049       237.9777 1696.979       
431.5596 162.7832       285.2708 72.02258 14.78036 28.20946 12.42508 43.81312 
19.30911 
1 1 1 18  -1  29 o 20.92731 7.180641  -207.2111      196.6419 -283.3116      
274.2877 -126.7352      282.0626 19.80075 9.708936 22.05388 10.58220 -2.253138 
14.36128 
1 1 1 18  -1  30 o 22.52611 7.586073  -85.59105      206.6782 -385.5181      
297.1707 195.3996       287.6366 18.76688 9.354453 26.28535 11.94522 -7.518475 
15.17215 
1 1 1 18  0   0  o 42.24508 6.228483  405.8584       104.6448 328.3804       
172.6690 450.8343       131.5572 38.40547 10.43755 46.08469 6.799531 -7.679214 
12.45697 
1 1 1 18  0   1  o 241.2554 7.633646  12561.03       773.1109 12791.62       
1095.120 12331.94       1091.576 243.5136 10.71173 238.9972 10.87884 4.516403 
15.26729 
1 1 1 18  0   2  f 146.1855 5.704157  4550.447       349.6473 4881.586       
503.3235 4241.610       486.0790 151.3595 7.920611 141.0114 8.210576 10.34804 
11.40831 
1 1 1 18  0   3  o 18.73439 5.835352  -68.01250      96.71134 37.08588       
124.6633 -226.8711      153.2660 21.40978 8.744911 16.05900 7.728639 5.350780 
11.67070 
1 1 1 18  0   4  o 124.5069 4.858471  3269.469       251.9424 3125.243       
332.8923 3462.843       385.4610 121.3831 6.532309 127.6307 7.193602 -6.247604 
9.716942 
1 1 1 18  0   5  o 121.2057 4.685169  3110.443       237.8114 2814.473       
328.5061 3436.333       344.7109 115.1273 6.796512 127.2840 6.450633 -12.15665 
9.370338 
1 1 1 18  0   6  o 172.0522 6.039350  6391.276       423.9969 6611.758       
545.1683 6053.755       674.5194 176.2488 7.367589 167.8555 9.571500 8.393356 
12.07870 
1 1 1 18  0   7  o 29.23214 6.900924  116.2150       119.5079 -93.14703      
168.8781 326.2308       169.1415 20.23139 9.183070 38.23288 10.30351 -18.00149 
13.80185 
1 1 1 18  0   8  o 79.18075 5.054166  1334.255       167.3944 1187.390       
233.4619 1489.645       240.1421 74.64995 7.449165 83.71155 6.832884 -9.061600 
10.10833 
1 1 1 18  0   9  o 149.7579 5.728350  4801.796       358.5082 4895.674       
487.2355 4690.970       529.3994 151.4975 7.660454 148.0184 8.519004 3.479095 
11.45670 
1 1 1 18  0   10 o 217.0538 6.874869  10178.15       617.1086 9946.125       
952.0492 10346.27       810.4081 214.4113 10.57628 219.6962 8.786222 -5.284943 
13.74974 
1 1 1 18  0   11 o 72.83806 5.438490  1136.561       162.8791 858.0696       
225.2942 1441.510       235.7531 63.32383 8.474300 82.35229 6.818720 -19.02845 
10.87698 
1 1 1 18  0   12 o 50.57140 5.530816  544.1960       117.2527 574.7986       
171.6145 517.4036       160.5762 51.89528 7.876753 49.24751 7.766366 2.647770 
11.06163 
1 1 1 18  0   13 o 154.5511 5.833838  5087.857       377.4212 4576.778       
517.6282 5667.986       551.4879 146.2339 8.431230 162.8683 8.065299 -16.63441 
11.66768 
1 1 1 18  0   14 o 43.25350 7.128624  348.0420       146.6784 72.33852       
188.6968 768.9653       233.1552 26.72533 10.81536 59.78168 9.289621 -33.05635 
14.25725 
1 1 1 18  0   15 o 95.36964 4.882695  1917.855       194.4540 1698.330       
260.5524 2193.856       292.1513 89.26421 6.952465 101.4751 6.857557 -12.21087 
9.765390 
1 1 1 18  0   16 o 197.4465 8.408072  8592.777       696.2502 8119.156       
961.1366 9115.750       1009.971 191.6903 11.94279 203.2027 11.83860 -11.51241 
16.81614 
1 1 1 18  0   17 o 100.1425 5.751997  2172.480       240.4274 2435.635       
340.0905 1909.557       339.9409 106.3982 7.613445 93.88670 8.624230 12.51152 
11.50399 
1 1 1 18  0   18 o 55.23895 7.155798  688.1949       161.5344 617.1344       
233.4296 753.4932       223.7650 51.76693 11.06391 58.71096 9.078082 -6.944035 
14.31160 
1 1 1 18  0   19 o 89.93810 4.798072  1690.214       173.2800 1921.896       
298.8853 1572.917       212.6679 94.16282 7.560424 85.71339 5.909820 8.449432 
9.596144 
1 1 1 18  0   20 o 62.41857 6.302550  866.7188       161.4243 826.3002       
252.7185 894.5752       209.8018 60.82067 9.897074 64.01646 7.806181 -3.195789 
12.60510 
1 1 1 18  0   21 o 67.48964 5.737786  1004.615       161.8586 999.4385       
239.8259 1008.946       219.3478 67.17097 8.504238 67.80830 7.704978 
-0.6373215     11.47557 
1 1 1 18  0   22 o 49.62414 7.142351  562.9451       146.2263 788.4936       
221.2152 387.9179       194.8713 59.18329 8.903012 40.06499 11.17090 19.11830 
14.28470 
1 1 1 18  0   23 o 52.34866 7.229958  628.4598       149.9179 525.6405       
189.0182 802.8345       246.1546 46.87893 9.909690 57.81838 10.53030 -10.93945 
14.45992 
1 1 1 18  0   24 o 44.58169 9.802367  472.7825       191.4823 774.7325       
352.0195 345.8960       228.1954 52.25402 15.16052 36.90936 12.42998 15.34467 
19.60473 
1 1 1 18  0   25 f 36.51343 13.75371  350.6269       286.8642 0.000000       
0.000000 350.6269       286.8642 ?        ?        36.51343 13.75371 ? ? 
1 1 1 18  0   26 o 63.24348 10.34067  1121.830       257.8024 1398.360       
447.8691 984.8023       315.2708 66.86526 16.11901 59.62169 12.95746 7.243565 
20.68134 
1 1 1 18  0   27 o 46.01276 10.38539  684.9687       225.8840 677.6959       
357.7246 689.7914       291.3057 44.48328 15.53207 47.54224 13.79059 -3.058964 
20.77079 
1 1 1 18  0   28 o 24.50866 8.157665  -80.72618      215.5607 -38.36787      
320.7943 -115.5978      291.0670 25.56569 11.97099 23.45163 11.08537 2.114054 
16.31533 
1 1 1 18  0   29 o 34.40738 9.544165  382.6963       203.7904 250.6563       
272.5612 550.0909       306.8895 29.96075 12.64070 38.85400 14.30304 -8.893253 
19.08833 
1 1 1 18  0   30 o 22.08049 7.320173  -10.64034      151.3139 27.98133       
301.8305 -23.60520      174.8765 24.47814 11.48855 19.68284 9.074856 4.795300 
14.64035 
1 1 1 18  0   31 o 24.88033 7.814011  169.8159       154.4973 134.7581       
324.4372 180.0974       175.6976 24.94863 11.76269 24.81203 10.28952 0.1365967 
15.62802 
1 1 1 18  1   0  o 25.76418 6.558512  59.37254       108.4790 -132.8434      
155.8202 240.1505       151.1130 18.27000 8.477727 33.25837 10.00922 -14.98837 
13.11702 
1 1 1 18  1   1  o 55.74092 5.182528  652.7202       120.0353 799.8873       
179.5970 533.9046       161.3728 61.38749 6.968513 50.09436 7.672953 11.29313 
10.36506 
1 1 1 18  1   2  o 134.0284 4.942167  3837.303       274.3541 3979.101       
363.6528 3649.968       417.9872 137.0556 6.319916 131.0012 7.599916 6.054413 
9.884335 
1 1 1 18  1   3  o 134.9415 4.816943  3824.525       265.4404 4027.169       
433.2608 3702.757       335.8522 137.6241 7.498528 132.2588 6.048457 5.365250 
9.633885 
1 1 1 18  1   4  o 119.9121 4.602391  3047.617       231.4013 3038.871       
319.0648 3057.322       336.1010 119.7595 6.345853 120.0647 6.667695 
-0.3051758     9.204782 
1 1 1 18  1   5  o 135.9748 5.070863  3901.089       275.4586 3840.225       
339.6068 4018.138       470.9556 134.6800 6.006123 137.2696 8.171969 -2.589569 
10.14173 
1 1 1 18  1   6  o 134.2745 5.284586  3835.818       297.8867 3897.114       
424.0038 3776.074       418.5989 135.3363 7.462365 133.2127 7.484685 2.123611 
10.56917 
1 1 1 18  1   7  o 154.1066 5.040001  5045.893       320.9043 5067.370       
500.6221 5030.913       418.0990 154.2125 7.732350 154.0007 6.466623 0.2118225 
10.08000 
1 1 1 18  1   8  o 80.56077 4.097603  1312.547       134.5313 1638.632       
225.9743 1133.522       167.4369 87.92177 6.121864 73.19977 5.448319 14.72200 
8.195206 
1 1 1 18  1   9  o 27.98560 6.925849  49.86513       111.8092 321.0007       
190.5843 -92.42685      138.0651 38.09776 11.18800 17.87343 8.166892 20.22433 
13.85170 
1 1 1 18  1   10 o 105.4654 4.781287  2360.880       210.5647 2332.569       
282.7197 2396.146       315.5439 104.8200 6.424405 106.1108 7.083068 -1.290741 
9.562574 
1 1 1 18  1   11 o 90.18741 4.567912  1715.681       172.3792 1877.461       
256.6648 1582.745       232.6611 94.02856 6.501710 86.34624 6.418024 7.682320 
9.135823 
1 1 1 18  1   12 o 91.42996 4.718347  1776.334       181.0628 1801.090       
254.1900 1750.836       257.9749 92.09267 6.574373 90.76726 6.769697 1.325417 
9.436693 
1 1 1 18  1   13 o 122.0609 4.421812  3159.650       226.4144 3138.218       
313.4846 3183.021       327.3629 121.6517 6.137890 122.4701 6.366787 
-0.8184433     8.843623 
1 1 1 18  1   14 o 32.27785 8.015600  203.2914       134.8681 176.4140       
199.5974 225.8729       182.9523 31.42343 11.53810 33.13227 11.12976 -1.708838 
16.03120 
1 1 1 18  1   15 o 118.7364 5.639418  3006.828       279.4742 3086.261       
420.8074 2944.143       373.8237 120.0310 8.350471 117.4418 7.581674 2.589203 
11.27884 
1 1 1 18  1   16 f 129.5509 5.578352  3397.411       276.6391 3139.561       
324.4278 4084.395       529.5507 121.4932 6.360440 137.6085 9.166070 -16.11533 
11.15670 
1 1 1 18  1   17 o 151.8616 5.544550  4929.355       351.0523 5167.303       
533.4657 4747.610       466.2262 154.9127 8.202394 148.8105 7.462497 6.102173 
11.08910 
1 1 1 18  1   18 o 107.8863 5.535505  2499.707       248.5284 2591.119       
380.0447 2431.408       328.5058 109.4339 8.271873 106.3387 7.358218 3.095169 
11.07101 
1 1 1 18  1   19 o 78.61929 5.564118  1265.036       178.1933 1683.787       
299.2329 1034.942       221.8115 88.06828 8.093024 69.17030 7.638101 18.89799 
11.12824 
1 1 1 18  1   20 o 30.60028 7.768060  88.70248       146.7885 379.8048       
225.2200 -126.2713      193.5428 40.38327 12.23277 20.81730 9.577593 19.56597 
15.53612 
1 1 1 18  1   21 o 79.37254 4.922822  1296.336       157.9668 1634.124       
271.7031 1123.855       194.1527 86.58568 7.474285 72.15941 6.408725 14.42627 
9.845643 
1 1 1 18  1   22 o 45.25061 7.887731  484.4742       148.6352 555.8597       
222.9685 427.3802       199.4038 48.22300 11.21503 42.27822 11.09452 5.944782 
15.77546 
1 1 1 18  1   23 o 37.14235 8.201103  336.5048       141.3383 362.7159       
178.6748 292.6816       231.0323 38.79264 10.65086 35.49207 12.47364 3.300568 
16.40221 
1 1 1 18  1   24 o 32.44981 8.833447  221.2839       169.3153 246.7657       
254.0848 200.9307       227.0803 33.57399 12.85724 31.32562 12.11654 2.248375 
17.66689 
1 1 1 18  1   25 o 28.09191 8.279297  90.00623       165.4808 225.8058       
247.2997 -20.10219      222.6818 32.15950 12.60199 24.02432 10.74137 8.135181 
16.55859 
1 1 1 18  1   26 o 43.28285 10.09244  574.5105       238.3041 255.5448       
394.8372 757.2785       298.8795 34.69224 14.94351 51.87346 13.56912 -17.18122 
20.18488 
1 1 1 18  1   27 o 35.13947 14.20961  341.0390       325.3743 341.0390       
325.3743 0.000000       0.000000 35.13947 14.20961 ?        ?        ? ? 
1 1 1 18  1   28 o 49.91597 10.01205  742.9350       221.1595 1087.182       
356.9132 528.3759       281.7741 58.97604 14.49772 40.85590 13.81235 18.12014 
20.02410 
1 1 1 18  1   29 o 22.09520 7.522110  -180.4368      199.9184 -233.8937      
332.5095 -150.1723      250.1896 22.97474 11.12415 21.21567 10.12827 1.759073 
15.04422 
1 1 1 18  1   30 o 25.76668 7.986846  125.6195       147.9141 157.1209       
304.1771 115.8637       169.2759 27.59042 12.43623 23.94293 10.02492 3.647490 
15.97369 
1 1 1 18  1   31 o 22.34843 7.460804  -18.09765      148.5092 196.6634       
317.0249 -78.47446      168.0934 26.83151 12.30814 17.86535 8.435883 8.966160 
14.92161 
1 1 1 18  1   32 f 20.43557 7.036952  -72.93414      152.6233 78.76037       
328.4597 -114.7059      172.3608 23.90243 11.45714 16.96870 8.173657 6.933722 
14.07390 
1 1 1 18  2   0  f 137.2290 4.387739  3929.829       246.4375 4240.521       
401.8145 3742.497       312.0090 141.4018 6.768492 133.0562 5.585386 8.345581 
8.775478 
1 1 1 18  2   1  o 82.43579 4.130055  1425.515       142.3505 1597.641       
212.4935 1285.382       191.7316 86.91507 5.823334 77.95651 5.858174 8.958557 
8.260110 
1 1 1 18  2   2  o 94.72176 4.589598  1916.723       179.8448 1796.393       
273.9016 2007.917       238.4464 92.00275 7.091119 97.44077 5.828692 -5.438026 
9.179195 
1 1 1 18  2   3  o 63.76820 4.307532  825.3798       112.7375 1041.081       
184.6746 697.2419       142.3375 70.12244 6.272942 57.41396 5.905042 12.70848 
8.615064 
1 1 1 18  2   4  o 162.4962 5.251925  5609.092       356.0152 5599.028       
477.2483 5621.720       534.5782 162.4417 6.997905 162.5508 7.833273 
-0.1091156     10.50385 
1 1 1 18  2   5  o 46.83448 6.834261  486.4832       129.4937 485.2053       
174.8400 488.0359       192.7274 46.86156 9.215141 46.80740 10.09503 
0.5416107E-01  13.66852 
1 1 1 18  2   6  o 50.02030 5.754414  486.9312       112.4923 773.6332       
197.8232 349.9170       136.7555 60.28200 7.816471 39.75861 8.447242 20.52339 
11.50883 
1 1 1 18  2   7  o 109.6542 4.107220  2546.865       188.8965 2652.011       
265.5857 2439.220       268.7220 111.9705 5.649655 107.3379 5.963089 4.632629 
8.214440 
1 1 1 18  2   8  o 100.9483 4.840500  2133.264       202.8165 2365.776       
316.8477 1971.864       263.9857 105.4877 7.154343 96.40896 6.522050 9.078735 
9.681001 
1 1 1 18  2   9  o 77.69566 5.008928  1291.443       162.3248 1189.599       
237.0902 1381.306       222.7081 74.72568 7.557269 80.66564 6.576102 -5.939964 
10.01786 
1 1 1 18  2   10 o 131.5617 5.043451  3667.678       274.8865 3590.099       
358.9864 3777.642       427.3981 130.0204 6.576390 133.1031 7.648312 -3.082672 
10.08690 
1 1 1 18  2   11 o 153.4085 6.400036  5125.984       395.8513 4763.614       
644.5184 5345.471       501.6079 148.4751 10.33958 158.3419 7.545527 -9.866852 
12.80007 
1 1 1 18  2   12 o 110.2619 4.542908  2549.668       197.5633 2491.428       
239.9427 2672.270       348.1324 108.5324 5.265857 111.9915 7.404242 -3.459023 
9.085815 
1 1 1 18  2   13 o 65.28867 5.925094  915.5983       161.5414 960.4091       
221.0180 864.2051       236.6949 67.08556 7.847289 63.49178 8.879583 3.593781 
11.85019 
1 1 1 18  2   14 o 195.5399 8.108294  8319.396       659.8606 8369.594       
879.5797 8254.775       997.9575 196.6760 10.65234 194.4037 12.22724 2.272324 
16.21659 
1 1 1 18  2   15 o 99.90498 5.245526  2105.542       217.8063 1982.368       
285.2050 2277.901       337.3751 96.51108 7.038839 103.2989 7.779262 -6.787819 
10.49105 
1 1 1 18  2   16 o 48.70359 7.358703  505.9869       150.0429 757.9283       
230.4468 320.5868       197.6860 59.32981 9.251641 38.07736 11.44592 21.25245 
14.71741 
1 1 1 18  2   17 o 62.16248 6.384249  885.0661       150.5771 717.5984       
249.4951 981.0139       188.8488 56.47227 10.91269 67.85269 6.629309 -11.38042 
12.76850 
1 1 1 18  2   18 o 58.96933 7.329023  811.0331       170.3172 561.2030       
254.1933 1014.566       229.4348 49.28732 12.30818 68.65133 7.960338 -19.36401 
14.65805 
1 1 1 18  2   19 o 111.7429 5.833755  2654.858       270.4102 3039.481       
424.3581 2391.911       350.8719 118.3021 8.544000 105.1838 7.945495 13.11829 
11.66751 
1 1 1 18  2   20 o 76.33565 5.681791  1248.899       179.2495 1364.922       
284.0319 1172.106       231.0779 79.06622 8.556520 73.60508 7.477763 5.461143 
11.36358 
1 1 1 18  2   21 o 104.7625 5.408576  2273.391       231.0352 2898.304       
387.5540 1928.877       287.7571 115.2123 8.012253 94.31271 7.267364 20.89954 
10.81715 
1 1 1 18  2   22 o 48.79235 7.567300  541.1761       155.3917 753.1962       
232.8300 370.8830       208.6646 57.99566 9.562346 39.58904 11.73106 18.40663 
15.13460 
1 1 1 18  2   23 o 45.59783 8.495893  504.9565       165.1720 443.7523       
224.8684 576.6690       243.4085 42.62122 12.03785 48.57445 11.99212 -5.953232 
16.99179 
1 1 1 18  2   24 o 43.31893 8.387064  436.6780       171.3226 747.9657       
259.4485 195.9973       228.1344 55.19754 11.56709 31.44031 12.14799 23.75723 
16.77413 
1 1 1 18  2   25 o 50.48596 8.648169  654.5464       181.6279 641.1638       
256.7167 667.9590       257.0047 49.88866 12.31499 51.08325 12.14513 -1.194588 
17.29634 
1 1 1 18  2   26 o 45.04950 9.191377  560.3432       191.4761 709.4100       
264.0609 395.0552       278.0573 51.84063 12.30151 38.25837 13.66011 13.58226 
18.38275 
1 1 1 18  2   27 o 34.32650 8.684782  248.1622       204.7880 -259.7306      
328.6737 570.4596       261.8227 23.78114 11.41394 44.87185 13.09289 -21.09071 
17.36956 
1 1 1 18  2   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  2   29 o 39.70733 10.02415  526.4206       211.0391 504.5997       
341.7029 539.8768       268.3322 38.14856 14.84097 41.26611 13.47886 -3.117554 
20.04829 
1 1 1 18  2   30 o 38.19926 10.41750  81.35184       155.6424 -1434.365      
369.1983 408.9452       171.6399 ?        ?        38.19926 10.41750 ? ? 
1 1 1 18  2   31 o 23.87217 7.495059  91.54090       148.7742 -130.5168      
319.5060 153.0163       168.1112 22.79946 11.01584 24.94488 10.16636 -2.145420 
14.99012 
1 1 1 18  2   32 o 24.33694 7.267965  143.5895       151.4674 -324.3608      
322.9441 275.5603       171.5009 19.81589 9.859717 28.85799 10.68079 -9.042107 
14.53593 
1 1 1 18  3   0  o 165.6036 5.576865  5877.675       381.2385 6090.501       
501.1949 5585.455       587.2875 169.4121 7.046659 161.7951 8.645825 7.617004 
11.15373 
1 1 1 18  3   1  f 53.09509 5.703943  594.9677       121.7439 450.6111       
160.7539 789.1190       186.4290 45.22404 8.780042 60.96615 7.283594 -15.74212 
11.40789 
1 1 1 18  3   2  o 70.86143 4.563420  1064.258       135.6259 1112.677       
191.0949 1015.114       192.5211 72.50346 6.277859 69.21942 6.624779 3.284035 
9.126840 
1 1 1 18  3   3  o 208.4773 5.734764  9257.316       501.5203 9534.066       
702.6265 8969.869       716.0786 211.7277 7.904383 205.2270 8.310885 6.500717 
11.46953 
1 1 1 18  3   4  o 117.9461 4.808139  2921.875       236.8577 2688.842       
315.9516 3220.878       357.8894 112.6459 6.680768 123.2462 6.916656 -10.60037 
9.616278 
1 1 1 18  3   5  o 136.4991 5.586349  3975.753       318.8069 4125.159       
436.7909 3805.417       466.3848 139.3486 7.466068 133.6495 8.311858 5.699158 
11.17270 
1 1 1 18  3   6  o 227.7047 6.085685  11061.90       581.6853 11038.90       
814.8725 11085.80       830.6078 227.4951 8.531762 227.9144 8.680511 
-0.4193115     12.17137 
1 1 1 18  3   7  o 38.71161 6.590429  326.8438       123.6901 64.97163       
179.8206 562.0162       170.4072 26.04667 10.55084 51.37654 7.900308 -25.32987 
13.18086 
1 1 1 18  3   8  o 133.7303 5.637990  3789.381       314.6638 4004.251       
476.3728 3623.063       419.1104 136.9950 8.282535 130.4656 7.651622 6.529419 
11.27598 
1 1 1 18  3   9  o 86.09383 4.496111  1546.709       160.9294 1885.058       
244.0991 1286.583       214.0306 94.31584 6.164568 77.87182 6.546613 16.44402 
8.992222 
1 1 1 18  3   10 o 166.6054 6.667304  5904.890       462.6064 6405.067       
710.1429 5536.165       609.7268 172.5213 9.804469 160.6895 9.037930 11.83183 
13.33461 
1 1 1 18  3   11 o 54.55829 5.725362  636.8080       130.9537 608.7914       
187.2128 663.6493       183.2440 53.35045 8.358311 55.76612 7.826730 -2.415676 
11.45072 
1 1 1 18  3   12 o 84.89952 4.934685  1479.232       171.5046 1094.027       
222.2896 2045.783       269.5831 71.65557 7.389078 98.14347 6.542630 -26.48790 
9.869370 
1 1 1 18  3   13 o 172.4220 6.330628  6466.513       420.9405 6615.086       
507.7431 6139.939       752.7737 176.3947 6.856138 168.4492 10.64428 7.945465 
12.66126 
1 1 1 18  3   14 o 112.8022 5.715639  2667.435       268.1483 2311.331       
352.3103 3157.774       413.4146 104.0241 8.067010 121.5803 8.099227 -17.55626 
11.43128 
1 1 1 18  3   15 o 67.84894 5.785898  992.9933       162.5890 812.1583       
230.6409 1171.633       229.2368 61.53544 8.927545 74.16244 7.362432 -12.62700 
11.57180 
1 1 1 18  3   16 o 101.1811 4.838724  2150.506       204.2551 2468.790       
309.5300 1905.004       271.8458 107.7294 6.843674 94.63275 6.842302 13.09669 
9.677447 
1 1 1 18  3   17 o 131.2189 4.904849  3671.264       268.8142 3694.653       
362.9551 3642.848       400.0706 131.7847 6.560079 130.6532 7.293527 1.131454 
9.809698 
1 1 1 18  3   18 o 36.96198 8.604877  274.3076       157.6097 409.7396       
239.6713 171.1147       209.2089 42.53386 12.56409 31.39010 11.76092 11.14375 
17.20975 
1 1 1 18  3   19 f 113.7133 5.221716  2799.861       246.6556 2971.504       
332.5812 2590.049       367.7050 117.8400 6.722424 109.5866 7.992139 8.253433 
10.44343 
1 1 1 18  3   20 o 79.65591 5.443489  1374.712       177.7474 1777.398       
259.0309 1016.360       244.3560 90.96793 6.782414 68.34389 8.516170 22.62404 
10.88698 
1 1 1 18  3   21 o 43.05756 8.417501  437.2007       158.2232 381.9913       
231.8111 485.3560       216.4960 40.55333 12.43595 45.56178 11.34744 -5.008450 
16.83500 
1 1 1 18  3   22 o 32.43591 7.964911  168.6656       147.2908 397.1739       
220.8203 -14.48719      197.6945 41.01025 12.04268 23.86157 10.42752 17.14868 
15.92982 
1 1 1 18  3   23 o 60.41819 6.284867  811.2511       159.1287 880.4478       
231.9554 749.7302       218.7121 62.88480 8.785769 57.95158 8.989354 4.933224 
12.56973 
1 1 1 18  3   24 o 34.52081 9.114408  255.6680       178.8192 207.8119       
256.4803 300.9342       249.4437 32.87262 12.84350 36.16900 12.93577 -3.296387 
18.22882 
1 1 1 18  3   25 o 30.80107 8.898157  155.9735       182.4332 125.5267       
253.7923 188.5264       262.4232 29.70326 12.34527 31.89888 12.81808 -2.195620 
17.79631 
1 1 1 18  3   26 o 34.38329 8.988616  251.4758       183.3430 71.23190       
251.8103 454.8349       267.4699 27.63907 11.91994 41.12752 13.45719 -13.48845 
17.97723 
1 1 1 18  3   27 o 40.29401 9.358446  446.0281       182.0606 393.4426       
242.6201 513.8006       275.4358 38.03534 12.81682 42.55268 13.64006 -4.517342 
18.71689 
1 1 1 18  3   28 o 41.91011 9.293384  485.9357       197.9896 243.0205       
267.7173 779.1749       294.1440 31.83856 12.88331 51.98167 13.39732 -20.14311 
18.58677 
1 1 1 18  3   29 o 29.43975 12.43882  187.1366       264.5517 0.000000       
0.000000 187.1366       264.5517 ?        ?        29.43975 12.43882 ? ? 
1 1 1 18  3   30 o 29.35906 9.031465  92.38592       155.3860 543.2420       
389.2092 6.898884       169.4784 37.76418 15.44279 20.95394 9.369610 16.81025 
18.06293 
1 1 1 18  3   31 o 31.78986 7.945419  324.5128       156.4761 -1.564814      
311.4334 434.6268       180.9781 24.92348 11.69256 38.65623 10.76116 -13.73276 
15.89084 
1 1 1 18  3   32 o 19.12972 6.519994  -109.6435      146.3039 -257.5261      
283.7504 -56.09193      170.7512 19.77802 9.741945 18.48142 8.668091 1.296600 
13.03999 
1 1 1 18  3   33 o 17.00691 5.818979  -130.3126      126.0599 -132.9362      
193.7056 -128.3852      166.0288 17.58356 8.509754 16.43026 7.938900 1.153303 
11.63796 
1 1 1 18  4   0  o 28.94275 7.036364  155.1539       107.1965 78.02667       
150.5430 234.4831       152.6769 24.90681 9.811626 32.97868 10.08829 -8.071871 
14.07273 
1 1 1 18  4   1  o 103.0327 4.244275  2204.860       180.3747 2456.901       
288.6999 2043.479       231.0131 107.7245 6.383418 98.34086 5.595305 9.383614 
8.488549 
1 1 1 18  4   2  o 23.78646 6.681385  40.29053       105.9760 -57.73263      
150.1220 137.6652       149.6245 19.87875 8.855434 27.69417 10.00724 -7.815420 
13.36277 
1 1 1 18  4   3  f 109.5056 4.388525  2562.387       198.0258 2686.512       
260.2453 2391.678       305.1969 112.7795 5.496342 106.2316 6.843013 6.547905 
8.777049 
1 1 1 18  4   4  o 80.08232 4.672047  1357.894       156.7572 1478.047       
224.4907 1243.559       218.9880 83.56062 6.399082 76.60402 6.809101 6.956604 
9.344094 
1 1 1 18  4   5  o 59.08073 5.534596  743.5237       130.1574 1009.373       
195.0708 530.1943       174.7430 69.01869 6.732038 49.14277 8.786735 19.87592 
11.06919 
1 1 1 18  4   6  o 32.37441 7.456554  218.5707       116.1882 211.5943       
169.2394 224.7903       159.7966 32.14996 10.70453 32.59887 10.38334 
-0.4489136     14.91311 
1 1 1 18  4   7  o 50.68294 6.181953  552.2324       128.5297 600.4335       
192.6387 513.5590       172.5525 53.04714 8.649729 48.31873 8.834499 4.728413 
12.36391 
1 1 1 18  4   8  o 241.7155 8.201829  12669.34       784.0588 12559.38       
1352.558 12725.00       962.2240 239.6825 13.44128 243.7484 9.402761 -4.065903 
16.40366 
1 1 1 18  4   9  o 78.20605 4.409141  1298.200       144.1203 1322.242       
195.8685 1269.817       212.8188 79.03464 5.902939 77.37746 6.551136 1.657181 
8.818281 
1 1 1 18  4   10 o 33.96905 7.121798  229.0542       127.7062 1.414690       
187.7343 425.1190       174.2286 24.29001 10.37851 43.64809 9.755336 -19.35808 
14.24360 
1 1 1 18  4   11 f 124.3096 4.476759  3290.841       228.3772 3340.434       
294.7862 3216.393       361.1833 125.6293 5.589038 122.9899 6.994866 2.639488 
8.953519 
1 1 1 18  4   12 o 69.65337 5.927515  1044.170       170.6453 1076.833       
224.7048 999.6672       262.2887 71.07449 7.530428 68.23223 9.156112 2.842262 
11.85503 
1 1 1 18  4   13 o 245.1120 8.526248  13074.31       867.1509 12843.19       
1138.823 13393.21       1337.721 243.2237 11.15248 247.0002 12.89999 -3.776550 
17.05250 
1 1 1 18  4   14 o 221.3538 6.599194  10560.11       604.2310 10326.39       
931.7993 10729.70       793.7333 218.7711 10.14503 223.9364 8.442498 -5.165268 
13.19839 
1 1 1 18  4   15 f 65.88463 5.567814  880.7271       144.4135 1058.926       
262.4498 803.3421       172.9505 70.27824 8.895010 61.49102 6.699328 8.787220 
11.13563 
1 1 1 18  4   16 o 138.4774 5.901692  4114.454       339.0929 4022.762       
517.3169 4183.529       449.0053 136.9079 9.000142 140.0470 7.636577 -3.139130 
11.80338 
1 1 1 18  4   17 o 77.27489 6.058097  1289.916       193.3226 1223.754       
297.0964 1338.502       254.5965 75.37955 9.387823 79.17023 7.659697 -3.790672 
12.11619 
1 1 1 18  4   18 o 150.7982 5.604112  4806.163       319.0113 5028.268       
606.4658 4721.199       375.0982 152.5138 9.471487 149.0825 5.992932 3.431290 
11.20822 
1 1 1 18  4   19 o 63.81321 6.796719  870.4006       175.1731 1123.784       
273.4065 693.9537       228.1534 72.02390 9.041766 55.60252 10.15027 16.42138 
13.59344 
1 1 1 18  4   20 o 30.67133 8.385220  148.4638       152.6777 175.0107       
230.4265 127.6881       203.8462 32.09685 12.25783 29.24580 11.44523 2.851046 
16.77044 
1 1 1 18  4   21 o 132.0891 5.477415  3764.028       303.0487 4052.480       
447.2306 3519.141       412.0757 136.7228 7.791327 127.4553 7.700878 9.267548 
10.95483 
1 1 1 18  4   22 o 39.52961 8.548476  356.0682       153.8818 423.3371       
236.6636 306.7982       202.5421 42.36332 12.47590 36.69590 11.69007 5.667419 
17.09695 
1 1 1 18  4   23 f 25.46700 7.524627  -29.99182      146.9627 190.9847       
217.1487 -216.7484      199.6283 31.68611 11.95806 19.24790 9.137008 12.43821 
15.04925 
1 1 1 18  4   24 o 23.89232 7.700726  -99.96429      169.6284 -92.46056      
222.7426 -110.3245      261.7269 23.04725 10.48382 24.73739 11.28247 -1.690142 
15.40145 
1 1 1 18  4   25 o 75.73402 7.026950  1326.444       222.9729 1222.213       
311.5580 1435.882       319.2451 72.46812 10.24031 78.99994 9.625393 -6.531822 
14.05390 
1 1 1 18  4   26 o 46.64670 8.529126  563.6608       166.7355 591.4169       
213.0716 519.8146       267.8011 49.02530 10.65022 44.26809 13.32504 4.757214 
17.05825 
1 1 1 18  4   27 o 36.71645 9.223549  318.0605       185.1382 156.9196       
243.5955 538.4404       284.8736 29.60661 12.18038 43.82629 13.85401 -14.21967 
18.44710 
1 1 1 18  4   28 o 51.49988 8.752568  702.1763       192.0146 459.7025       
253.4613 1028.772       294.1605 40.29955 13.10004 62.70021 11.61114 -22.40066 
17.50514 
1 1 1 18  4   29 o 25.43546 7.317494  126.7691       112.7049 -13.15433      
268.4626 156.7063       124.1777 25.07039 11.43230 25.80054 9.137035 
-0.7301521     14.63499 
1 1 1 18  4   30 o 22.98586 7.727224  -67.81567      152.7174 -32.30174      
373.1825 -74.95953      167.3742 27.07498 12.72132 18.89674 8.775415 8.178242 
15.45445 
1 1 1 18  4   31 o 35.37332 15.02651  476.7118       389.5130 476.7118       
389.5130 0.000000       0.000000 35.37332 15.02651 ?        ?        ? ? 
1 1 1 18  4   32 o 21.32156 6.872609  17.05789       133.2010 -78.66256      
241.0963 59.11121       159.8043 21.21905 10.05783 21.42406 9.368623 
-0.2050056     13.74522 
1 1 1 18  4   33 o 20.84828 6.477486  21.92034       124.7836 -227.2931      
197.7011 186.9439       160.8779 16.56565 8.160069 25.13091 10.06204 -8.565256 
12.95497 
1 1 1 18  5   0  o 144.4285 4.511643  4398.193       272.4767 4216.297       
366.4284 4623.171       407.5193 141.1410 6.183822 147.7161 6.571152 -6.575043 
9.023286 
1 1 1 18  5   1  o 56.78067 4.862381  689.3386       114.8925 610.9664       
166.9107 759.9124       158.3891 53.64215 7.411379 59.91920 6.296226 -6.277054 
9.724762 
1 1 1 18  5   2  o 179.0890 5.661042  6819.997       413.0361 6823.811       
670.1624 6817.660       524.4943 178.8484 8.925160 179.3295 6.966427 
-0.4810944     11.32208 
1 1 1 18  5   3  o 261.2122 8.458203  14755.37       899.2609 14820.39       
1142.518 14649.51       1457.845 262.8877 10.35176 259.5367 13.37931 3.350952 
16.91641 
1 1 1 18  5   4  o 205.6584 6.921267  9062.171       573.0411 9095.629       
716.6439 9002.849       954.2584 206.7460 8.256334 204.5709 11.11075 2.175171 
13.84253 
1 1 1 18  5   5  o 38.85809 7.018409  336.6557       116.9457 249.3761       
166.5259 421.5861       164.2695 34.08935 10.55794 43.62682 9.249980 -9.537472 
14.03682 
1 1 1 18  5   6  o 36.69813 7.661089  295.3843       126.6984 257.7215       
185.2081 328.5128       173.7020 34.90800 11.18454 38.48825 10.47259 -3.580242 
15.32218 
1 1 1 18  5   7  o 68.37236 4.351349  986.9258       124.2850 1011.887       
186.2366 966.8834       166.8828 69.12599 6.417189 67.61872 5.878489 1.507271 
8.702698 
1 1 1 18  5   8  o 76.06104 4.968417  1227.945       158.3384 1128.403       
221.9108 1331.185       225.9937 72.89352 7.251213 79.22857 6.794157 -6.335052 
9.936833 
1 1 1 18  5   9  o 92.77095 4.632206  1764.873       177.2914 2180.005       
284.4257 1501.084       226.7274 101.3816 6.682372 84.16026 6.416793 17.22137 
9.264412 
1 1 1 18  5   10 o 83.81442 5.605937  1496.082       196.3676 1510.360       
292.5091 1484.368       264.9439 84.12010 8.282486 83.50875 7.556889 0.6113510 
11.21187 
1 1 1 18  5   11 o 91.71231 4.979156  1787.841       180.9966 1787.229       
222.1127 1789.051       312.2672 91.88024 5.758010 91.54439 8.124857 0.3358536 
9.958312 
1 1 1 18  5   12 o 54.87464 5.758124  648.3055       131.4181 596.9401       
194.5964 691.3758       178.1919 52.78267 8.781414 56.96661 7.450554 -4.183941 
11.51625 
1 1 1 18  5   13 o 135.1288 5.341280  3879.726       302.4645 4126.041       
444.3712 3667.103       412.8634 139.0957 7.609451 131.1619 7.497557 7.933762 
10.68256 
1 1 1 18  5   14 o 194.3239 6.812727  8192.155       535.1771 8382.159       
676.7172 7874.896       874.4453 198.0439 8.138921 190.6038 10.92753 7.440048 
13.62545 
1 1 1 18  5   15 o 157.8963 6.175601  5341.565       409.2701 5495.988       
579.8224 5188.231       577.7736 160.2119 8.620279 155.5808 8.845508 4.631088 
12.35120 
1 1 1 18  5   16 o 67.92355 6.455206  891.8768       163.9717 1675.800       
283.8822 499.3968       200.8678 88.64974 7.627493 47.19735 10.41634 41.45240 
12.91041 
1 1 1 18  5   17 o 128.7073 5.001988  3551.351       267.7185 3311.542       
398.7266 3748.212       361.2621 124.5777 7.623526 132.8368 6.477763 -8.259071 
10.00398 
1 1 1 18  5   18 o 122.8449 5.536017  3226.986       285.4693 3159.044       
399.4942 3297.877       408.0716 121.5238 7.830154 124.1660 7.828068 -2.642258 
11.07203 
1 1 1 18  5   19 o 103.4736 4.679245  2234.136       199.0830 2521.367       
322.4456 2057.192       253.0811 108.6182 7.070905 98.32897 6.130548 10.28920 
9.358489 
1 1 1 18  5   20 o 27.55685 7.659977  47.72349       139.5627 -96.98900      
186.1056 233.6819       210.9669 21.18905 9.623686 33.92466 11.91997 -12.73561 
15.31995 
1 1 1 18  5   21 o 83.71167 5.613743  1557.819       190.2680 1119.524       
273.0674 1971.414       265.2616 71.55624 9.089569 95.86710 6.590613 -24.31086 
11.22749 
1 1 1 18  5   22 o 62.97173 5.736432  778.0566       143.8635 1199.475       
256.0728 583.7022       173.9018 74.15852 8.224764 51.78494 7.998741 22.37358 
11.47286 
1 1 1 18  5   23 o 63.75473 6.345517  897.8901       169.6825 954.1796       
244.5703 845.6473       235.6148 65.71824 8.864187 61.79122 9.082320 3.927017 
12.69103 
1 1 1 18  5   24 o 28.69190 8.485785  47.86584       171.4602 -52.62064      
221.6485 197.5996       270.5645 24.02134 10.72885 33.36247 13.15014 -9.341129 
16.97157 
1 1 1 18  5   25 o 47.97593 8.804951  569.2961       189.6591 329.3206       
263.1206 828.8144       273.6246 37.42593 13.29562 58.52593 11.54708 -21.10000 
17.60990 
1 1 1 18  5   26 o 31.38833 8.600236  157.7397       178.5552 351.9393       
244.0346 -66.01350      261.9460 37.60276 12.85413 25.17389 11.42924 12.42887 
17.20047 
1 1 1 18  5   27 o 35.15238 8.374457  302.9538       161.7671 100.5898       
245.9613 457.2163       214.7486 28.21580 11.96130 42.08895 11.72406 -13.87316 
16.74891 
1 1 1 18  5   28 o 26.73239 8.168426  57.53765       169.7420 166.0128       
248.9111 -36.75949      232.0750 29.72860 12.28277 23.73619 10.77155 5.992416 
16.33685 
1 1 1 18  5   29 f 51.04146 7.755673  775.9436       128.8230 520.1988       
312.6521 828.2402       141.3821 40.97372 14.49944 61.10921 5.510726 -20.13549 
15.51135 
1 1 1 18  5   30 o 24.27013 7.098809  99.48502       121.1681 -74.04983      
233.9368 163.1086       141.6493 22.28587 10.35904 26.25439 9.708895 -3.968521 
14.19762 
1 1 1 18  5   31 o 38.93275 9.780944  374.8111       155.0126 834.1323       
401.6885 294.4396       168.0281 45.41696 16.39819 32.44855 10.66615 12.96841 
19.56189 
1 1 1 18  5   32 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  5   33 o 22.42083 6.869397  91.99133       123.5372 -1.014105      
194.8794 154.4743       159.7323 20.58143 9.523632 24.26023 9.902266 -3.678797 
13.73879 
1 1 1 18  5   34 o 19.20940 6.334363  -15.31603      123.2351 36.81079       
194.3481 -50.36896      159.3719 20.80010 9.581140 17.61870 8.288449 3.181398 
12.66873 
1 1 1 18  6   0  o 38.99792 6.178734  337.5292       104.1943 178.9176       
147.8784 493.9065       146.8332 29.76520 10.00620 48.23065 7.251406 -18.46546 
12.35747 
1 1 1 18  6   1  o 68.05453 4.406998  984.9237       124.3620 1179.528       
177.9076 798.9686       173.9093 74.70811 5.672152 61.40097 6.746348 13.30714 
8.813995 
1 1 1 18  6   2  o 207.2262 6.704622  8920.965       525.2625 8598.919       
615.5300 9783.810       1007.526 201.3062 7.283048 213.1463 11.25900 -11.84009 
13.40924 
1 1 1 18  6   3  o 91.18559 4.196900  1668.806       152.2415 2036.238       
271.4254 1500.150       183.8919 98.06288 6.592753 84.30830 5.195334 13.75459 
8.393801 
1 1 1 18  6   4  o 211.1342 6.870522  9533.403       608.9889 9488.114       
856.6252 9579.681       865.9308 210.6392 9.686629 211.6292 9.746049 
-0.9900360     13.74104 
1 1 1 18  6   5  o 126.7087 4.280705  3431.712       225.1948 3780.340       
307.7515 3029.882       330.4005 133.7947 5.478761 119.6227 6.578824 14.17204 
8.561410 
1 1 1 18  6   6  o 159.7863 5.789165  5418.564       385.0098 5539.451       
586.8802 5327.229       510.1246 161.2158 8.670874 158.3569 7.672916 2.858932 
11.57833 
1 1 1 18  6   7  o 36.08811 7.009754  252.4278       109.9086 434.5095       
185.6557 154.1826       136.3737 44.16493 10.20924 28.01129 9.608228 16.15364 
14.01951 
1 1 1 18  6   8  o 227.3085 8.324530  11191.54       785.9160 11312.37       
1042.267 11032.29       1196.542 229.2435 10.82936 225.3736 12.64579 3.869949 
16.64906 
1 1 1 18  6   9  o 120.1017 5.043537  3016.135       248.4839 3277.640       
402.9935 2855.729       315.6233 124.1174 7.733683 116.0860 6.476049 8.031380 
10.08707 
1 1 1 18  6   10 o 89.51190 4.747723  1693.636       173.1140 1673.876       
219.1491 1726.429       282.3181 88.93242 5.869493 90.09139 7.464082 -1.158974 
9.495445 
1 1 1 18  6   11 o 118.8628 5.124121  2981.987       248.7497 2908.538       
315.3069 3103.044       404.7967 117.1070 6.413155 120.6187 7.993617 -3.511711 
10.24824 
1 1 1 18  6   12 o 129.5852 5.864723  3563.169       314.5092 3442.281       
408.5859 3738.950       492.6949 127.0774 7.658368 132.0931 8.884216 -5.015724 
11.72945 
1 1 1 18  6   13 o 121.1438 5.117113  3131.820       259.5705 2901.701       
369.6325 3355.709       364.5955 116.6687 7.546350 125.6189 6.913173 -8.950172 
10.23423 
1 1 1 18  6   14 o 118.9877 4.296195  2995.916       213.8756 3075.335       
317.6068 2930.021       289.3022 120.3858 6.283991 117.5896 5.860085 2.796196 
8.592389 
1 1 1 18  6   15 o 77.97370 5.486757  1289.847       179.0518 1163.940       
243.7921 1437.300       263.8282 73.84850 7.863195 82.09890 7.654291 -8.250397 
10.97351 
1 1 1 18  6   16 o 142.7126 4.879367  4292.413       283.6704 4485.984       
465.1626 4177.802       357.9294 145.0476 7.638628 140.3776 6.073241 4.669952 
9.758734 
1 1 1 18  6   17 o 22.99341 7.272863  -77.92530      143.6508 -98.23441      
216.9777 -62.07697      191.6732 23.34441 10.51395 22.64242 10.05162 0.7019901 
14.54573 
1 1 1 18  6   18 o 128.6371 4.848877  3508.331       260.3994 4061.425       
380.3759 3020.492       357.2332 138.2184 6.554932 119.0558 7.146979 19.16264 
9.697755 
1 1 1 18  6   19 o 55.96837 7.385706  688.3455       169.5675 798.6586       
249.7538 594.0121       230.9570 60.70895 9.798970 51.22779 11.05327 9.481155 
14.77141 
1 1 1 18  6   20 o 90.97818 5.539658  1740.694       207.7545 1984.150       
334.0247 1587.091       265.3184 95.92111 8.294409 86.03526 7.345340 9.885857 
11.07932 
1 1 1 18  6   21 o 67.35384 6.943117  923.9979       182.2007 1478.093       
307.5042 624.2288       226.1791 82.39639 8.889224 52.31129 10.66814 30.08511 
13.88623 
1 1 1 18  6   22 o 45.79719 8.527575  462.0187       172.7885 730.5949       
267.5375 269.8210       226.3211 56.01840 11.75118 35.57597 12.36074 20.44242 
17.05515 
1 1 1 18  6   23 o 86.24899 5.531907  1597.508       197.6577 1766.687       
310.9861 1482.845       256.0227 89.84747 8.244347 82.65052 7.378261 7.196953 
11.06381 
1 1 1 18  6   24 o 60.39901 7.925292  883.5994       190.4758 1079.964       
255.4390 637.6628       285.8691 69.80873 8.715625 50.98928 13.23929 18.81945 
15.85058 
1 1 1 18  6   25 o 23.26180 7.574997  -133.4459      171.7179 -165.9989      
244.1916 -101.6006      241.5221 22.68066 10.55839 23.84293 10.86475 -1.162271 
15.14999 
1 1 1 18  6   26 o 33.30771 8.574345  207.4681       173.0995 -12.90011      
247.3014 419.1393       242.3724 25.85906 11.45632 40.75635 12.76050 -14.89729 
17.14869 
1 1 1 18  6   27 o 39.34415 9.150346  395.7346       175.3042 476.6969       
261.2491 329.4198       236.4387 42.40382 13.24246 36.28448 12.63141 6.119339 
18.30069 
1 1 1 18  6   28 o 41.37521 8.607059  466.5639       182.0370 175.7225       
275.6693 691.4500       242.4050 30.91364 12.85847 51.83677 11.44489 -20.92313 
17.21412 
1 1 1 18  6   29 o 44.19713 7.414488  489.0846       124.1375 514.4871       
247.5702 480.5526       143.4781 42.73543 12.80140 45.65883 7.484827 -2.923401 
14.82898 
1 1 1 18  6   30 o 22.62356 7.033007  36.78696       124.4326 -253.4996      
287.8627 103.4914       137.9905 21.79198 10.51317 23.45514 9.344834 -1.663170 
14.06601 
1 1 1 18  6   31 o 28.89950 8.201046  181.0169       128.4076 299.7220       
285.9211 151.0261       143.7162 32.32966 13.23083 25.46934 9.693999 6.860327 
16.40209 
1 1 1 18  6   32 o 19.28798 6.494236  -132.8000      122.9313 28.62471       
235.6940 -193.1238      144.0813 23.73353 10.79288 14.84242 7.225944 8.891112 
12.98847 
1 1 1 18  6   33 o 22.56577 6.663527  65.51411       115.9107 -85.00261      
164.0259 215.6518       163.8192 17.76394 8.371877 27.36759 10.36928 -9.603655 
13.32705 
1 1 1 18  6   34 o 19.23632 6.335968  -13.83906      124.9323 -63.66638      
195.7816 20.38753       162.2631 18.93520 9.016960 19.53744 8.903503 
-0.6022396     12.67194 
1 1 1 18  7   0  o 59.40057 4.563716  750.4707       113.3432 687.6811       
162.6022 809.8139       158.0766 56.94419 6.801395 61.85695 6.086957 -4.912766 
9.127432 
1 1 1 18  7   1  o 57.29636 4.776201  697.9505       114.5336 652.9863       
164.7433 740.0145       159.3417 55.47818 7.073047 59.11455 6.420312 -3.636372 
9.552402 
1 1 1 18  7   2  f 175.0168 5.538111  6534.167       388.2093 6433.965       
652.6889 6589.021       482.9163 173.6388 8.953248 176.3948 6.520894 -2.756058 
11.07622 
1 1 1 18  7   3  o 205.0811 6.943105  9019.998       575.2930 9073.333       
723.2313 8928.108       949.2943 206.4534 8.344037 203.7088 11.09972 2.744629 
13.88621 
1 1 1 18  7   4  o 174.8730 5.021834  6480.314       367.7721 6538.652       
540.5576 6430.038       501.8171 175.5471 7.334481 174.1988 6.861535 1.348251 
10.04367 
1 1 1 18  7   5  o 182.7236 6.568780  7018.608       475.7715 7468.684       
832.5396 6800.343       579.7687 186.5246 10.63139 178.9226 7.718104 7.601990 
13.13756 
1 1 1 18  7   6  o 41.77446 6.915960  374.3959       121.4859 551.8735       
184.9021 239.5854       161.1506 50.09814 9.129136 33.45078 10.39139 16.64737 
13.83192 
1 1 1 18  7   7  o 42.77001 6.507513  393.0333       110.2357 457.4488       
183.3917 356.5925       137.9363 45.36221 9.903268 40.17781 8.444892 5.184395 
13.01503 
1 1 1 18  7   8  o 93.47658 4.767643  1852.583       186.0908 2113.646       
267.4511 1607.584       259.0923 99.90977 6.376134 87.04337 7.089894 12.86640 
9.535286 
1 1 1 18  7   9  o 63.62867 5.021344  858.3598       133.3086 869.1664       
200.4906 849.7960       178.4773 63.94969 7.467526 63.30766 6.715029 0.6420326 
10.04269 
1 1 1 18  7   10 o 27.82579 7.372087  45.25489       131.4616 -131.2589      
175.2036 272.6667       198.8660 19.76881 9.102494 35.88278 11.59893 -16.11397 
14.74417 
1 1 1 18  7   11 o 88.94373 5.077341  1680.424       189.3785 1655.064       
260.8198 1708.703       275.4193 88.25630 7.039081 89.63116 7.319078 -1.374855 
10.15468 
1 1 1 18  7   12 o 132.7883 4.991495  3736.319       277.7856 3990.544       
407.4151 3515.460       379.7397 136.9889 7.083907 128.5877 7.034084 8.401184 
9.982989 
1 1 1 18  7   13 o 127.7030 4.636622  3464.231       248.4596 3592.205       
351.4069 3336.303       351.3430 130.0894 6.434125 125.3167 6.677956 4.772751 
9.273245 
1 1 1 18  7   14 o 100.3173 4.976039  2138.362       209.3550 2203.354       
304.6149 2080.182       288.2110 101.7417 7.131373 98.89287 6.941714 2.848846 
9.952079 
1 1 1 18  7   15 o 57.57883 6.775267  723.9625       159.3763 717.0696       
236.7467 729.6753       215.5288 56.81074 10.30550 58.34692 8.798497 -1.536179 
13.55053 
1 1 1 18  7   16 o 155.0007 6.313935  5150.752       410.8377 5090.640       
576.1011 5212.958       586.0510 154.0894 8.905271 155.9120 8.953171 -1.822647 
12.62787 
1 1 1 18  7   17 f 85.94921 5.056208  1563.883       181.9555 1712.667       
268.8302 1438.099       247.1790 89.70335 7.138228 82.19508 7.162866 7.508270 
10.11242 
1 1 1 18  7   18 o 66.66039 5.824225  975.7576       158.5128 1117.117       
212.2310 797.4136       238.3834 72.44429 6.977914 60.87648 9.327118 11.56781 
11.64845 
1 1 1 18  7   19 o 63.79556 6.551871  907.8151       166.6859 719.2057       
243.1557 1075.022       228.9447 56.69215 10.60890 70.89896 7.691513 -14.20680 
13.10374 
1 1 1 18  7   20 o 61.83968 7.067492  830.7733       177.7680 1015.151       
268.7595 687.3672       237.0243 68.42896 9.355025 55.25039 10.59629 13.17857 
14.13498 
1 1 1 18  7   21 o 95.76398 4.684768  1894.820       184.6445 1631.760       
234.4972 2324.038       299.5360 87.38179 6.392014 104.1462 6.850573 -16.76437 
9.369535 
1 1 1 18  7   22 o 67.19914 6.072086  1014.819       160.7487 884.1210       
268.6517 1087.709       200.6268 63.24182 10.11827 71.15647 6.715766 -7.914650 
12.14417 
1 1 1 18  7   23 o 59.87955 7.275177  813.6359       171.2617 1272.816       
256.1183 442.2683       230.3304 76.43563 7.981155 43.32347 12.16610 33.11216 
14.55035 
1 1 1 18  7   24 o 67.83537 6.119347  1015.118       172.7882 1021.572       
261.9863 1010.149       229.8703 67.80808 9.202762 67.86266 8.068134 
-0.5457306E-01 12.23869 
1 1 1 18  7   25 o 35.55142 8.020728  172.2080       170.6750 591.3651       
255.2746 -166.6285      229.5168 49.17968 12.36651 21.92316 10.21752 27.25652 
16.04146 
1 1 1 18  7   26 o 67.29871 6.144006  980.2138       169.2977 1220.075       
279.9828 841.9672       212.5587 73.29811 9.098288 61.29930 8.259322 11.99881 
12.28801 
1 1 1 18  7   27 o 47.87001 8.121950  574.8629       160.2267 581.1634       
212.6874 566.5950       243.6437 48.67080 10.69879 47.06921 12.22293 1.601585 
16.24390 
1 1 1 18  7   28 o 31.33386 8.314805  102.3283       124.8066 495.2749       
293.4511 15.55368       137.9004 42.20172 14.09564 20.46599 8.823657 21.73573 
16.62961 
1 1 1 18  7   29 o 20.53792 6.818269  -73.00703      124.0654 -243.3525      
288.1169 -34.23114      137.4626 22.47599 10.76305 18.59984 8.373285 3.876150 
13.63654 
1 1 1 18  7   30 o 57.07190 6.532872  610.4980       127.1620 1187.628       
311.1299 494.7580       139.3306 67.82970 10.92554 46.31409 7.165631 21.51561 
13.06574 
1 1 1 18  7   31 o 27.16259 7.607343  171.4771       127.0788 52.82139       
257.8252 209.5532       146.0520 25.71889 11.52692 28.60630 9.930596 -2.887415 
15.21469 
1 1 1 18  7   32 o 35.71080 7.495665  391.4290       128.6724 223.6062       
240.6285 458.6327       152.2715 29.24435 12.07933 42.17724 8.878609 -12.93289 
14.99133 
1 1 1 18  7   33 o 31.39751 7.318471  309.6443       120.5242 143.0081       
245.2679 362.6919       138.3849 26.13171 11.51445 36.66332 9.036450 -10.53161 
14.63694 
1 1 1 18  7   34 o 16.54349 5.719139  -198.3257      129.0153 -135.7210      
197.6002 -244.8440      170.3319 17.98518 8.684945 15.10180 7.443517 2.883382 
11.43828 
1 1 1 18  8   0  o 102.6962 4.444449  2240.337       190.9479 2331.812       
262.7923 2138.024       277.9250 104.9693 5.963088 100.4230 6.591973 4.546356 
8.888899 
1 1 1 18  8   1  o 94.13504 4.175686  1863.097       164.5147 2065.172       
243.2809 1692.826       223.3169 98.81499 5.864166 89.45509 5.946174 9.359894 
8.351373 
1 1 1 18  8   2  f 26.43224 6.934149  116.4193       102.3310 129.0399       
148.7960 105.0934       140.9577 27.21807 9.965238 25.64641 9.644881 1.571665 
13.86830 
1 1 1 18  8   3  o 210.5261 5.543589  9389.537       485.4987 9189.744       
641.5614 9657.275       742.6825 208.0760 7.344077 212.9762 8.306024 -4.900162 
11.08718 
1 1 1 18  8   4  o 162.3781 5.817804  5609.913       396.4431 5650.782       
569.8825 5571.587       551.8620 162.9230 8.331515 161.8332 8.122391 1.089783 
11.63561 
1 1 1 18  8   5  o 159.1671 4.971611  5244.563       315.3936 5772.137       
549.9839 4986.056       384.9861 164.7700 7.950471 153.5641 5.971404 11.20593 
9.943221 
1 1 1 18  8   6  o 72.74445 4.682609  1106.834       142.0867 1255.025       
216.2010 994.1675       188.5142 76.97044 6.690443 68.51845 6.553265 8.451988 
9.365218 
1 1 1 18  8   7  o 90.51408 4.475109  1747.353       164.7159 1679.025       
265.7252 1789.991       209.9087 88.96758 7.114134 92.06059 5.430975 -3.093018 
8.950217 
1 1 1 18  8   8  o 135.1359 5.012576  3887.820       283.3624 4102.240       
392.0968 3653.405       409.9703 139.1237 6.712950 131.1481 7.445801 7.975540 
10.02515 
1 1 1 18  8   9  o 173.8371 6.152806  6429.274       448.0331 6152.734       
609.1838 6755.097       661.2419 169.8303 8.543862 177.8439 8.856099 -8.013626 
12.30561 
1 1 1 18  8   10 o 131.0485 5.665899  3607.304       291.9594 3514.466       
353.4002 3806.882       518.1552 128.7527 6.537798 133.3443 9.255638 -4.591629 
11.33180 
1 1 1 18  8   11 o 111.0700 4.683311  2628.960       214.2655 2680.168       
278.9513 2555.273       334.6242 112.5158 5.905218 109.6242 7.270627 2.891594 
9.366622 
1 1 1 18  8   12 o 175.6485 5.797328  6581.391       417.9020 6620.462       
665.5629 6555.961       536.9421 175.7654 9.019384 175.5317 7.286065 0.2336731 
11.59466 
1 1 1 18  8   13 o 89.56694 5.091119  1699.673       189.4502 1760.045       
291.7379 1655.650       249.1258 90.85723 7.648116 88.27666 6.721927 2.580574 
10.18224 
1 1 1 18  8   14 o 97.96780 5.038871  1891.613       188.3836 2413.625       
366.6190 1704.340       219.5904 106.2475 8.218969 89.68810 5.831760 16.55940 
10.07774 
1 1 1 18  8   15 o 207.4735 7.470695  9068.128       582.6135 9871.356       
1124.320 8773.265       681.2087 212.2806 12.61538 202.6664 8.006074 9.614258 
14.94139 
1 1 1 18  8   16 f 27.47237 7.483969  106.8138       125.8680 -14.53528      
208.9442 175.9315       157.6909 25.08308 10.83832 29.86167 10.32328 -4.778589 
14.96794 
1 1 1 18  8   17 o 120.9489 5.213928  3096.739       263.2326 2946.279       
350.6788 3290.940       398.4059 117.6690 7.098533 124.2289 7.638784 -6.559906 
10.42786 
1 1 1 18  8   18 o 85.44794 4.827693  1508.353       168.8724 1366.732       
212.4850 1751.183       278.2368 80.24064 6.307468 90.65524 7.310426 -10.41460 
9.655386 
1 1 1 18  8   19 o 143.9705 6.696950  4479.373       403.4597 4347.522       
589.4815 4595.570       553.3839 141.7938 9.902251 146.1471 9.018980 -4.353256 
13.39390 
1 1 1 18  8   20 o 145.4161 5.717207  4537.525       348.8651 4693.312       
502.9979 4393.122       484.2743 147.8106 8.105536 143.0216 8.065119 4.788956 
11.43441 
1 1 1 18  8   21 o 72.46059 5.889160  1136.658       177.9880 1110.762       
265.4455 1157.813       239.9127 71.58144 8.832751 73.33975 7.791748 -1.758316 
11.77832 
1 1 1 18  8   22 o 35.59289 8.697321  266.7274       157.5134 286.2038       
236.4189 251.1815       211.2200 36.62754 12.64236 34.55823 11.94756 2.069309 
17.39464 
1 1 1 18  8   23 o 71.38899 6.108349  1111.712       182.0063 1146.323       
274.1493 1084.434       243.3806 72.24196 9.038966 70.53603 8.218564 1.705925 
12.21670 
1 1 1 18  8   24 o 67.84533 6.026152  1007.947       170.7085 871.9522       
234.0716 1162.463       249.5030 62.84809 8.871107 72.84257 8.158524 -9.994480 
12.05230 
1 1 1 18  8   25 o 107.2347 5.513894  2500.176       246.6573 2294.388       
327.0161 2771.764       375.6768 102.2821 7.615359 112.1874 7.976116 -9.905228 
11.02779 
1 1 1 18  8   26 o 52.03129 8.148631  655.4791       180.0936 893.0678       
257.9398 429.4949       251.5617 62.47847 9.833521 41.58411 12.99625 20.89436 
16.29726 
1 1 1 18  8   27 o 60.04179 8.104687  903.3915       196.5628 598.9812       
280.6476 1196.504       275.3906 47.85078 13.42678 72.23280 9.081042 -24.38202 
16.20937 
1 1 1 18  8   28 o 19.77236 6.709952  -140.4399      121.7155 -218.1542      
289.9310 -123.8133      134.1051 23.40025 11.06232 16.14446 7.597298 7.255791 
13.41990 
1 1 1 18  8   29 o 90.42155 6.357209  1919.297       202.0999 1947.356       
415.3347 1910.592       231.3341 87.97388 11.24516 92.86923 5.933199 -4.895355 
12.71442 
1 1 1 18  8   30 o 25.15982 7.644541  85.57520       129.2751 -16.42541      
292.2722 110.3840       144.1416 26.12196 11.91631 24.19768 9.579023 1.924286 
15.28908 
1 1 1 18  8   31 o 25.46178 7.377981  121.2952       128.8581 -13.93043      
233.4443 180.5518       154.5333 23.56802 10.72392 27.35554 10.13588 -3.787518 
14.75596 
1 1 1 18  8   32 o 23.19644 7.164744  61.34621       129.9256 -39.65740      
238.0869 104.1805       155.0468 22.75823 10.52925 23.63465 9.719526 
-0.8764210     14.32949 
1 1 1 18  8   33 o 33.20777 7.982473  304.8617       120.1348 407.9647       
243.8694 271.8239       138.0471 35.01257 12.76363 31.40297 9.590055 3.609592 
15.96495 
1 1 1 18  8   34 o 24.91567 7.543301  138.9386       128.6438 240.3257       
242.0194 99.01208       151.8761 27.67940 11.80393 22.15195 9.395366 5.527445 
15.08660 
1 1 1 18  8   35 o 27.84658 7.228149  277.3001       126.9849 -12.54539      
315.4174 333.3659       138.7239 22.56144 10.90846 33.13173 9.486307 -10.57029 
14.45630 
1 1 1 18  9   0  o 59.96622 4.591759  747.5723       114.2628 862.4922       
179.0177 668.5682       148.4304 63.76130 6.687440 56.17115 6.294055 7.590145 
9.183517 
1 1 1 18  9   1  o 107.1709 4.570280  2446.856       204.4285 2599.872       
280.4030 2273.251       298.6723 110.8324 6.026111 103.5095 6.872832 7.322830 
9.140560 
1 1 1 18  9   2  o 34.72800 6.751698  265.5453       101.6179 290.8891       
146.7524 242.1996       140.8483 36.20946 9.525037 33.24654 9.571594 2.962921 
13.50340 
1 1 1 18  9   3  o 157.3649 5.520809  5232.496       346.7549 5159.229       
427.2412 5373.911       593.5610 156.0663 6.520561 158.6636 8.910646 -2.597229 
11.04162 
1 1 1 18  9   4  o 150.8008 5.457590  4809.648       335.4659 4931.536       
546.8864 4736.117       424.7671 152.1105 8.563649 149.4910 6.767945 2.619507 
10.91518 
1 1 1 18  9   5  o 85.91038 4.400713  1561.221       158.6554 1544.401       
220.6281 1579.233       228.3146 85.43934 6.150693 86.38142 6.295560 
-0.9420776     8.801427 
1 1 1 18  9   6  o 185.6068 5.648494  7269.606       428.0933 7575.749       
697.2310 7084.360       542.3616 188.4544 8.812344 182.7591 7.068559 5.695267 
11.29699 
1 1 1 18  9   7  o 93.27986 4.704268  1846.892       181.9509 1821.966       
279.1064 1865.313       239.9455 92.66115 7.174527 93.89857 6.086599 -1.237419 
9.408535 
1 1 1 18  9   8  o 116.0160 4.777647  2805.022       227.6091 2635.741       
289.3198 3079.936       368.6992 111.5943 6.175285 120.4376 7.291742 -8.843224 
9.555294 
1 1 1 18  9   9  o 67.81180 4.974154  929.9869       137.8930 780.0735       
172.6607 1193.992       229.1287 60.64855 6.781005 74.97504 7.279204 -14.32650 
9.948309 
1 1 1 18  9   10 o 104.3407 5.285302  2226.013       222.2489 2019.731       
272.9841 2631.543       382.7523 97.58561 6.663043 111.0957 8.206188 -13.51012 
10.57060 
1 1 1 18  9   11 o 100.6548 5.284142  2147.497       222.7059 2266.153       
329.9162 2048.165       301.8581 103.1730 7.616554 98.13657 7.326439 5.036461 
10.56828 
1 1 1 18  9   12 o 138.6198 5.295879  4079.216       306.4023 3982.309       
409.5980 4202.346       461.7027 136.8481 7.129187 140.3914 7.833266 -3.543289 
10.59176 
1 1 1 18  9   13 o 85.74557 4.160298  1560.849       149.3631 1504.205       
216.8754 1611.959       206.0060 84.22866 6.132978 87.26249 5.623068 -3.033829 
8.320597 
1 1 1 18  9   14 o 40.79360 7.395483  372.7801       126.8885 368.5438       
171.0092 377.9697       189.2722 40.55147 10.07638 41.03573 10.82771 
-0.4842606     14.79097 
1 1 1 18  9   15 o 147.4718 5.808403  4649.458       359.5615 4631.567       
503.5446 4668.072       513.5980 147.2040 8.147783 147.7396 8.280326 
-0.5356293     11.61681 
1 1 1 18  9   16 o 167.0596 6.822965  6019.078       474.1560 5900.171       
716.4161 6111.763       632.5105 165.2919 10.32369 168.8273 8.923725 -3.535355 
13.64593 
1 1 1 18  9   17 o 45.11436 7.317737  464.4271       134.1584 380.0919       
225.0194 510.9382       167.1068 41.32943 12.16310 48.89930 8.139778 -7.569866 
14.63547 
1 1 1 18  9   18 o 110.6728 5.062482  2567.749       224.7141 2476.379       
277.0870 2743.309       384.0851 108.0531 6.108011 113.2925 8.075092 -5.239334 
10.12496 
1 1 1 18  9   19 o 83.28713 5.012217  1435.621       166.8385 1615.814       
290.4208 1346.862       203.8283 86.91486 7.958930 79.65940 6.094646 7.255463 
10.02443 
1 1 1 18  9   20 o 158.2650 5.343306  5267.280       345.4459 5758.521       
567.3646 4977.892       435.4667 163.7347 8.253582 152.7953 6.788378 10.93942 
10.68661 
1 1 1 18  9   21 o 78.06963 5.546837  1269.920       178.9286 1597.517       
283.4463 1052.892       230.7057 86.17976 7.834053 69.95950 7.854757 16.22026 
11.09367 
1 1 1 18  9   22 o 27.70646 7.626282  63.91321       134.0363 238.1167       
210.1661 -55.52225      174.0207 33.99059 11.90167 21.42232 9.538916 12.56827 
15.25256 
1 1 1 18  9   23 o 79.74982 5.937465  1406.778       194.5838 1266.931       
297.8792 1510.869       256.9921 75.88510 9.349854 83.61455 7.320807 -7.729446 
11.87493 
1 1 1 18  9   24 o 124.9025 4.768693  3346.223       247.6240 3215.851       
325.5664 3525.157       381.4135 122.2352 6.344014 127.5698 7.121461 -5.334602 
9.537386 
1 1 1 18  9   25 f 82.43342 6.265157  1494.851       214.8656 1800.071       
319.2178 1242.016       290.5351 90.27424 8.422564 74.59260 9.277349 15.68164 
12.53031 
1 1 1 18  9   26 o 29.73379 8.614449  119.7393       172.0380 80.29356       
247.6445 156.5327       239.1736 28.69338 12.07477 30.77419 12.28963 -2.080807 
17.22890 
1 1 1 18  9   27 o 34.22911 8.016799  260.9855       110.1610 266.2433       
285.7261 260.0674       119.3914 35.14267 13.59171 33.31556 8.505391 1.827106 
16.03360 
1 1 1 18  9   28 o 32.69764 8.115623  250.9475       122.8589 188.1829       
289.3488 264.7521       135.6989 32.23176 13.27021 33.16352 9.346384 
-0.9317627     16.23125 
1 1 1 18  9   29 o 43.99455 8.689550  399.5656       138.0388 782.9525       
323.4338 314.1779       152.6386 52.46366 14.29714 35.52545 9.880528 16.93821 
17.37910 
1 1 1 18  9   30 o 41.11166 8.338086  436.8007       135.7898 497.3741       
286.7581 419.2920       154.1707 41.06984 13.93397 41.15350 9.161841 
-0.8366013E-01 16.67617 
1 1 1 18  9   31 o 54.93907 7.265505  767.8135       151.1074 793.3895       
270.6865 756.2352       182.1270 53.12605 12.35805 56.75209 7.643876 -3.626041 
14.53101 
1 1 1 18  9   32 o 41.01435 7.363583  499.5514       129.9254 325.5451       
248.2792 565.1725       152.4684 33.20169 12.71100 48.82701 7.437734 -15.62532 
14.72717 
1 1 1 18  9   33 o 23.79720 7.172528  91.82359       122.7018 139.4754       
199.9488 63.03846       155.4043 25.73382 10.84056 21.86058 9.394834 3.873236 
14.34506 
1 1 1 18  9   34 o 24.66290 7.498888  83.67030       126.1564 304.7127       
243.5813 2.641384       147.4776 30.22034 12.26400 19.10546 8.632938 11.11487 
14.99778 
1 1 1 18  9   35 o 40.64406 8.110273  449.9677       128.9409 881.8247       
268.0336 319.9344       147.0776 49.28735 12.83003 32.00077 9.924544 17.28658 
16.22055 
1 1 1 18  10  0  f 135.3431 4.851835  3894.935       275.0792 3592.087       
388.3991 4199.729       389.6452 129.9987 7.116399 140.6875 6.596825 -10.68880 
9.703671 
1 1 1 18  10  1  o 151.1915 5.372333  4845.380       316.1689 4813.725       
381.0379 4915.346       566.4845 150.7831 6.019169 151.5998 8.900419 
-0.8166809     10.74467 
1 1 1 18  10  2  f 158.1571 5.382812  5321.274       357.3513 5210.269       
505.8213 5431.884       504.9219 156.4865 7.699126 159.8278 7.524766 -3.341324 
10.76562 
1 1 1 18  10  3  o 129.0565 4.702300  3528.394       253.5638 3553.540       
378.0651 3507.835       341.8502 129.4147 6.958317 128.6984 6.326794 0.7162628 
9.404600 
1 1 1 18  10  4  o 113.4684 4.547529  2706.721       214.5951 2587.668       
282.1253 2870.165       330.5649 110.5841 6.076737 116.3527 6.767077 -5.768661 
9.095057 
1 1 1 18  10  5  f 109.6330 4.601714  2533.420       211.0734 2694.341       
314.8435 2402.052       284.4680 112.7575 6.650747 106.5086 6.361653 6.248940 
9.203427 
1 1 1 18  10  6  o 90.06801 4.465184  1729.457       167.1055 2008.316       
235.9948 1449.042       236.6523 97.46418 5.767378 82.67184 6.818271 14.79234 
8.930367 
1 1 1 18  10  7  o 51.77522 5.636178  567.7184       122.2023 623.8317       
179.7448 519.4899       166.6386 54.14834 7.906645 49.40210 8.034362 4.746243 
11.27236 
1 1 1 18  10  8  o 254.1052 9.458444  13912.55       903.8616 13690.88       
1061.814 14495.80       1722.387 252.6007 10.01233 255.6097 16.04998 -3.009003 
18.91689 
1 1 1 18  10  9  o 105.5043 4.726215  2336.504       201.8403 2272.941       
252.2521 2449.624       336.5149 103.6615 5.796134 107.3471 7.466811 -3.685570 
9.452430 
1 1 1 18  10  10 o 185.1082 7.426784  7376.158       576.0665 7444.229       
842.6289 7316.424       789.3416 185.7731 10.80375 184.4432 10.19350 1.329926 
14.85357 
1 1 1 18  10  11 o 43.99586 7.306739  430.4812       132.3804 465.9579       
197.2538 401.4081       178.5664 45.62633 10.50752 42.36538 10.15607 3.260952 
14.61348 
1 1 1 18  10  12 o 63.42456 5.462328  850.9479       144.4890 911.4915       
219.9048 804.9537       191.6694 65.35835 8.014098 61.49078 7.424442 3.867569 
10.92466 
1 1 1 18  10  13 o 224.6727 8.046466  10763.98       702.8293 11499.14       
1274.914 10443.01       842.3949 228.7267 13.27655 220.6188 9.094824 8.107864 
16.09293 
1 1 1 18  10  14 o 82.34030 5.170643  1442.327       177.2988 1457.851       
268.9237 1430.392       235.8046 82.65856 7.749297 82.02205 6.847670 0.6365128 
10.34129 
1 1 1 18  10  15 o 161.7400 6.408054  5613.825       434.9924 5560.549       
606.3630 5670.313       624.3768 160.9852 8.971557 162.4948 9.152258 -1.509644 
12.81611 
1 1 1 18  10  16 o 161.5660 5.718676  5572.312       379.1413 5557.128       
487.1914 5595.629       603.7343 161.5836 7.181637 161.5484 8.901523 
0.3520203E-01  11.43735 
1 1 1 18  10  17 o 59.21842 6.419653  737.3485       153.3859 957.2683       
241.7099 589.0782       198.4674 66.86317 8.610500 51.57367 9.524026 15.28951 
12.83931 
1 1 1 18  10  18 o 38.88342 8.394268  328.4727       149.0005 376.1137       
223.5133 290.3676       199.8961 41.11093 12.12983 36.65592 11.60699 4.455006 
16.78854 
1 1 1 18  10  19 o 40.79312 8.232205  344.8784       156.3493 563.4216       
236.6721 175.6497       208.2647 49.90090 11.52148 31.68534 11.76147 18.21556 
16.46441 
1 1 1 18  10  20 o 116.1785 5.626745  2884.960       274.0147 3115.014       
398.6251 2678.878       377.2856 120.5822 7.874130 111.7747 8.039845 8.807480 
11.25349 
1 1 1 18  10  21 o 57.83044 7.367052  751.9926       172.6069 677.0025       
258.4802 812.3453       231.8857 54.41610 11.65176 61.24478 9.018325 -6.828682 
14.73410 
1 1 1 18  10  22 o 67.19685 6.439310  986.1528       181.2204 1041.221       
253.1430 928.2637       259.5457 69.23069 8.709401 65.16302 9.487105 4.067673 
12.87862 
1 1 1 18  10  23 o 43.07446 7.552750  428.3287       134.9982 426.3876       
206.8099 429.7699       178.2011 42.84106 11.32475 43.30786 9.996310 
-0.4667969     15.10550 
1 1 1 18  10  24 o 122.1732 4.990795  3169.257       233.1065 3086.365       
276.0291 3375.367       435.2604 120.1600 5.471621 124.1864 8.348263 -4.026413 
9.981589 
1 1 1 18  10  25 o 45.24310 9.385128  495.6900       190.1373 445.5746       
263.0093 550.5565       275.1939 43.00455 13.25837 47.48166 13.28677 -4.477116 
18.77026 
1 1 1 18  10  26 o 39.42400 8.928290  317.4336       193.2797 21.95866       
267.1956 641.7347       279.9260 28.02759 12.18536 50.82040 13.05276 -22.79281 
17.85658 
1 1 1 18  10  27 f 44.15767 8.424939  426.3435       133.5362 595.9767       
308.5349 387.2430       148.1289 47.66605 14.29347 40.64929 8.922726 7.016762 
16.84988 
1 1 1 18  10  28 o 30.44888 8.338604  180.7913       131.9501 193.0748       
292.2995 177.6475       147.8745 32.59057 13.36428 28.30718 9.976242 4.283384 
16.67721 
1 1 1 18  10  29 o 65.90860 6.664858  998.4493       144.6863 1097.081       
316.6577 972.4242       162.6586 65.35879 11.98731 66.45842 5.829725 -1.099632 
13.32972 
1 1 1 18  10  30 o 45.55711 6.677888  550.8243       115.0242 401.8095       
209.0512 615.5249       137.7503 38.66221 11.80031 52.45200 6.255350 -13.78979 
13.35578 
1 1 1 18  10  31 o 39.02213 7.908464  418.8193       132.0057 384.5615       
244.5426 432.9067       156.8156 36.56181 12.83475 41.48245 9.243617 -4.920643 
15.81693 
1 1 1 18  10  32 o 41.62997 7.982013  497.2139       140.2448 445.8880       
249.7826 520.8431       169.4804 38.10746 13.00463 45.15248 9.259035 -7.045021 
15.96403 
1 1 1 18  10  33 o 29.06969 7.876318  148.1351       128.6604 449.1429       
244.3814 32.71075       151.3311 37.36263 12.85761 20.77675 9.100957 16.58589 
15.75264 
1 1 1 18  10  34 o 28.78426 7.593387  246.7270       124.7720 146.2340       
249.0157 280.4147       144.1764 26.19073 11.56324 31.37779 9.845286 -5.187065 
15.18677 
1 1 1 18  10  35 o 21.64785 6.896494  69.72927       122.9339 28.12684       
246.5948 83.48810       141.8128 22.31441 10.45700 20.98130 8.994311 1.333109 
13.79299 
1 1 1 18  11  0  o 66.92062 8.958591  959.6306       251.6974 959.6306       
251.6974 0.000000       0.000000 66.92062 8.958591 ?        ?        ? ? 
1 1 1 18  11  1  o 252.4821 9.881729  13957.95       990.0221 13801.30       
1215.291 14267.01       1707.023 252.2999 11.47319 252.6644 16.09224 
-0.3644714     19.76346 
1 1 1 18  11  2  o 81.20938 4.064856  1392.095       137.9890 1429.983       
206.0833 1361.304       185.7835 82.18310 5.972845 80.23567 5.515192 1.947426 
8.129712 
1 1 1 18  11  3  o 60.76983 4.883790  783.5919       124.5806 766.6356       
174.3792 801.2686       178.0451 60.09815 6.911218 61.44151 6.902225 -1.343365 
9.767581 
1 1 1 18  11  4  o 88.74602 4.418723  1643.056       162.3666 1814.662       
256.0542 1527.649       209.9814 92.51942 6.592043 84.97263 5.886036 7.546791 
8.837446 
1 1 1 18  11  5  o 186.7521 5.974611  7430.476       467.5157 7313.630       
639.2505 7564.840       685.5043 185.2547 8.219075 188.2495 8.673563 -2.994781 
11.94922 
1 1 1 18  11  6  o 126.9811 4.613547  3393.594       243.3113 3572.212       
376.4101 3265.396       318.8881 129.7587 6.909487 124.2035 6.115410 5.555237 
9.227094 
1 1 1 18  11  7  o 39.91145 6.630472  356.8286       111.4101 470.7643       
157.5771 242.9491       157.5383 46.29189 8.418944 33.53101 10.24568 12.76088 
13.26094 
1 1 1 18  11  8  o 132.9799 5.530190  3809.446       273.6301 3864.926       
321.4090 3663.333       521.5923 135.1959 5.662596 130.7638 9.500896 4.432053 
11.06038 
1 1 1 18  11  9  o 41.24767 7.587078  376.1237       135.7708 261.9548       
188.1376 500.1981       196.1294 35.12825 11.27441 47.36710 10.15592 -12.23885 
15.17416 
1 1 1 18  11  10 o 91.09588 4.920735  1768.418       185.7285 1722.801       
284.6423 1802.238       245.0922 89.97868 7.534960 92.21308 6.330791 -2.234406 
9.841470 
1 1 1 18  11  11 o 26.65536 7.390684  85.26718       124.5772 -5.008060      
189.1579 154.4152       165.5504 24.17830 10.37706 29.13241 10.52642 -4.954111 
14.78137 
1 1 1 18  11  12 o 123.9367 5.405777  3266.538       280.7061 2986.588       
388.3295 3572.895       406.2322 118.3449 7.815773 129.5285 7.470166 -11.18356 
10.81155 
1 1 1 18  11  13 o 123.6806 5.290760  3257.478       274.2920 3292.164       
400.1774 3226.742       376.7010 124.2544 7.671174 123.1068 7.288460 1.147583 
10.58152 
1 1 1 18  11  14 f 142.0161 5.326324  4303.458       315.8632 4337.897       
426.2663 4261.521       470.3807 142.7651 7.111810 141.2672 7.931020 1.497818 
10.65265 
1 1 1 18  11  15 o 70.46233 4.750347  1038.699       139.3841 891.0308       
184.9040 1233.048       212.1259 64.74130 6.802773 76.18336 6.632153 -11.44205 
9.500693 
1 1 1 18  11  16 o 109.3566 4.984334  2561.678       225.4577 2431.388       
344.8399 2658.954       297.9627 106.7727 7.692688 111.9404 6.340102 -5.167633 
9.968668 
1 1 1 18  11  17 o 62.59702 6.349585  838.6876       166.1376 951.7081       
240.7426 735.9195       229.5639 66.67035 8.600849 58.52369 9.343143 8.146660 
12.69917 
1 1 1 18  11  18 o 92.20392 5.315177  1814.489       204.6024 1792.707       
304.8297 1832.349       276.0143 91.62074 7.924732 92.78710 7.085411 -1.166359 
10.63035 
1 1 1 18  11  19 o 156.9100 5.836446  5292.799       376.1001 5379.544       
486.5306 5163.993       592.8660 158.8501 7.295310 154.9699 9.112346 3.880157 
11.67289 
1 1 1 18  11  20 o 109.4832 5.577133  2567.628       256.3310 2538.000       
363.2306 2597.020       361.7871 108.8368 7.949282 110.1296 7.824741 -1.292892 
11.15427 
1 1 1 18  11  21 o 79.12756 6.061748  1351.690       199.2581 1348.622       
304.1469 1353.998       263.7400 78.88911 9.183061 79.36603 7.915210 
-0.4769211     12.12350 
1 1 1 18  11  22 o 71.18656 5.723494  1104.715       169.0035 1280.512       
237.1555 923.3184       240.9026 77.17843 7.319110 65.19469 8.801372 11.98373 
11.44699 
1 1 1 18  11  23 o 81.05722 4.490564  1368.650       145.2488 1286.764       
177.2441 1536.077       253.4433 77.69493 5.433757 84.41952 7.150871 -6.724586 
8.981129 
1 1 1 18  11  24 o 95.17168 4.751853  1930.709       182.8997 1872.677       
228.3111 2034.669       305.5800 93.51165 5.815438 96.83170 7.516722 -3.320045 
9.503706 
1 1 1 18  11  25 o 65.78623 7.578052  1005.368       200.6073 1127.420       
273.2408 862.6557       295.4637 71.26224 9.132870 60.31023 12.09538 10.95201 
15.15610 
1 1 1 18  11  26 o 49.87918 7.654424  484.3074       126.3617 792.7076       
304.8194 420.3118       138.8546 56.71509 13.06249 43.04328 7.983243 13.67181 
15.30885 
1 1 1 18  11  27 o 60.38596 6.240485  798.4725       126.8582 895.5579       
274.0712 772.0012       143.1116 61.07510 11.09816 59.69682 5.710115 1.378288 
12.48097 
1 1 1 18  11  28 o 91.65979 5.279020  1848.742       170.0896 1934.138       
356.7121 1823.613       193.5041 91.46293 9.289531 91.85664 5.017653 
-0.3937149     10.55804 
1 1 1 18  11  29 o 41.93847 8.310017  438.1572       135.3762 478.8003       
290.6808 426.9003       152.9792 41.68014 14.02895 42.19679 8.911462 
-0.5166512     16.62003 
1 1 1 18  11  30 o 67.99353 5.684895  1079.134       148.9523 1048.604       
265.2047 1093.202       180.0301 65.92545 9.581845 70.06161 6.120488 -4.136169 
11.36979 
1 1 1 18  11  31 o 48.78905 7.145911  731.8278       142.4490 291.7358       
252.4375 937.4372       172.5455 33.18386 12.78759 64.39423 6.382308 -31.21036 
14.29182 
1 1 1 18  11  32 o 33.44020 8.220620  300.3721       133.7013 349.7167       
243.1674 278.9905       160.0686 34.58286 12.73170 32.29755 10.40279 2.285316 
16.44124 
1 1 1 18  11  33 o 44.81486 7.830689  464.9329       133.2336 866.8391       
269.7031 335.1912       153.2369 54.54024 12.09790 35.08947 9.945830 19.45076 
15.66138 
1 1 1 18  11  34 o 21.57761 6.609762  50.77766       116.0257 -111.3401      
205.4288 126.7170       140.5981 19.51567 9.266335 23.63956 9.428195 -4.123896 
13.21952 
1 1 1 18  11  35 o 29.45065 7.314116  293.6879       128.1050 67.76090       
263.3256 363.7371       146.6258 23.68737 11.00278 35.21393 9.639708 -11.52656 
14.62823 
1 1 1 18  11  36 o 26.13913 7.187618  227.1017       121.2163 65.35104       
260.4702 271.8168       136.9500 22.74195 10.67346 29.53630 9.629369 -6.794352 
14.37524 
1 1 1 18  12  0  o 98.05250 4.985863  2036.800       204.0804 2121.612       
307.8699 1970.322       272.5699 99.81026 7.347051 96.29474 6.742119 3.515518 
9.971726 
1 1 1 18  12  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  12  2  f 153.3483 6.721049  5058.220       431.8516 4764.835       
616.2611 5341.304       605.3459 148.8400 9.862025 157.8565 9.134027 -9.016449 
13.44210 
1 1 1 18  12  3  o 120.6364 4.672920  3095.339       236.0448 2879.143       
337.0006 3303.557       330.7234 116.4344 6.893989 124.8384 6.310122 -8.404053 
9.345840 
1 1 1 18  12  4  o 152.5133 5.228435  4958.309       332.4724 5050.949       
447.2978 4843.940       496.9930 154.2348 6.907732 150.7917 7.850436 3.443039 
10.45687 
1 1 1 18  12  5  o 127.1616 4.809052  3416.746       252.5864 3513.247       
396.6744 3350.934       327.5824 128.5497 7.349949 125.7736 6.203721 2.776100 
9.618103 
1 1 1 18  12  6  f 33.64465 6.776958  239.0720       106.3365 124.4000       
147.5981 362.8246       153.3308 26.89887 9.917563 40.39043 9.238539 -13.49156 
13.55392 
1 1 1 18  12  7  o 72.26100 4.805232  1134.173       142.1478 1281.480       
189.9616 946.7304       214.2837 77.82347 5.814016 66.69853 7.652334 11.12494 
9.610463 
1 1 1 18  12  8  o 45.64445 6.702908  448.9300       126.7513 321.1280       
170.6877 606.0460       189.2533 38.00852 10.39882 53.28038 8.460522 -15.27187 
13.40582 
1 1 1 18  12  9  o 65.36343 5.230594  905.7367       143.2966 975.0184       
209.4382 844.7596       196.4854 67.70918 7.367658 63.01768 7.426580 4.691490 
10.46119 
1 1 1 18  12  10 o 152.1430 5.937242  4950.404       378.5605 4813.658       
547.1961 5075.932       524.2704 150.0332 8.687137 154.2528 8.095492 -4.219604 
11.87448 
1 1 1 18  12  11 o 24.04968 7.142554  -13.86673      125.3392 111.0855       
192.5463 -105.7490      165.1121 28.45638 11.12610 19.64299 8.959586 8.813391 
14.28511 
1 1 1 18  12  12 o 146.3083 5.909181  4567.902       361.5552 4669.067       
537.9691 4484.566       488.2689 147.6798 8.676756 144.9369 8.024188 2.742859 
11.81836 
1 1 1 18  12  13 o 167.0856 6.406730  5882.594       440.7119 6533.331       
709.2394 5473.290       562.4882 174.2120 9.696968 159.9593 8.375773 14.25262 
12.81346 
1 1 1 18  12  14 o 83.59987 5.033202  1487.690       176.6366 1500.151       
248.6574 1474.997       250.9623 83.96359 7.053934 83.23615 7.181540 0.7274399 
10.06640 
1 1 1 18  12  15 o 76.69624 4.915257  1277.909       152.4919 1139.973       
243.4675 1366.951       195.6140 73.06538 7.936891 80.32710 5.800413 -7.261711 
9.830515 
1 1 1 18  12  16 o 87.29964 4.539694  1589.317       160.6463 1724.841       
268.8657 1514.072       200.3392 90.03404 7.112948 84.56522 5.642807 5.468819 
9.079389 
1 1 1 18  12  17 o 61.37531 6.174208  816.4011       157.1266 717.0665       
231.0040 901.9296       214.3506 57.74186 9.529054 65.00876 7.853693 -7.266903 
12.34842 
1 1 1 18  12  18 o 50.41756 7.353393  585.2700       155.2378 291.8296       
221.8874 866.6105       217.2645 37.16244 12.25697 63.67268 8.127496 -26.51024 
14.70679 
1 1 1 18  12  19 o 44.14384 8.396614  439.0731       158.4925 459.3308       
235.8826 422.4002       213.9966 45.03358 12.18182 43.25411 11.55923 1.779469 
16.79323 
1 1 1 18  12  20 o 136.5819 5.757242  3978.208       319.1723 4089.097       
525.8046 3913.510       401.6318 137.7226 9.093694 135.4412 7.063148 2.281342 
11.51448 
1 1 1 18  12  21 o 159.8622 5.914013  5507.580       396.9065 5478.139       
562.8984 5536.691       559.7360 159.4140 8.410552 160.3104 8.316540 
-0.8963623     11.82803 
1 1 1 18  12  22 o 110.8777 4.263802  2550.063       179.8863 2455.768       
211.6425 2795.472       341.4324 107.6371 4.683409 114.1182 7.126410 -6.481117 
8.527604 
1 1 1 18  12  23 o 37.84641 6.605307  369.8836       123.5370 537.4925       
148.6352 -4.575010      222.1648 49.95682 7.086765 25.73600 11.14891 24.22082 
13.21061 
1 1 1 18  12  24 o 51.86055 6.840636  706.7449       131.3010 883.8887       
161.4486 360.7143       225.6464 64.21553 5.988461 39.50557 12.30104 24.70996 
13.68127 
1 1 1 18  12  25 o 44.93839 8.377681  445.2978       144.9698 405.3427       
167.7597 563.1166       288.0774 41.85664 9.723773 48.02015 13.64516 -6.163502 
16.75536 
1 1 1 18  12  26 o 65.43739 6.984298  1032.563       150.2630 880.0457       
311.1301 1078.959       171.6030 60.11723 12.71819 70.75754 5.776610 -10.64030 
13.96860 
1 1 1 18  12  27 o 40.77785 8.621250  318.6233       137.0834 634.2260       
301.2376 236.1968       153.9473 49.61717 13.90677 31.93854 10.19341 17.67863 
17.24250 
1 1 1 18  12  28 o 99.07838 6.641471  2295.287       234.5373 2197.450       
467.7491 2328.146       271.0769 95.13055 11.71154 103.0262 6.267090 -7.895645 
13.28294 
1 1 1 18  12  29 o 84.19176 4.867357  1566.673       159.9503 1628.031       
285.2206 1538.524       193.1873 84.45744 8.043851 83.92609 5.482802 0.5313568 
9.734715 
1 1 1 18  12  30 o 62.13985 5.438568  767.4507       126.4277 1179.615       
260.5279 640.4918       144.5943 70.77228 8.768235 53.50742 6.436624 17.26486 
10.87714 
1 1 1 18  12  31 o 24.85196 7.473045  79.35056       121.9939 108.6718       
242.4355 69.40868       141.1690 27.37230 11.74789 22.33162 9.239733 5.040672 
14.94609 
1 1 1 18  12  32 o 21.72475 6.986328  -50.65131      123.8963 106.1749       
236.1031 -110.2470      145.5458 26.59809 11.50743 16.85142 7.925532 9.746675 
13.97266 
1 1 1 18  12  33 o 24.91083 7.450436  105.5423       114.4923 148.1064       
252.4904 94.52496       128.4582 27.50679 11.90032 22.31486 8.967624 5.191929 
14.90087 
1 1 1 18  12  34 o 46.59677 7.379187  701.7792       132.6823 430.1831       
274.0383 784.9439       151.6419 35.13984 13.38282 58.05370 6.221719 -22.91387 
14.75837 
1 1 1 18  12  35 o 20.47428 6.547067  24.91822       119.8889 -191.3682      
251.4775 88.53421       136.3853 19.57756 9.533929 21.37100 8.975552 -1.793434 
13.09413 
1 1 1 18  12  36 o 24.35888 7.239531  164.5607       112.9595 165.5486       
262.0377 164.3353       125.1887 24.74249 11.28597 23.97528 9.070284 0.7672081 
14.47906 
1 1 1 18  13  0  o 132.6750 5.588012  3718.926       299.6212 3904.705       
501.3613 3615.715       373.6938 134.9407 8.849710 130.4093 6.825405 4.531372 
11.17602 
1 1 1 18  13  1  o 37.49831 7.771962  295.0133       131.1986 414.5670       
204.2328 211.0110       171.1944 42.92175 11.21173 32.07486 10.76618 10.84689 
15.54392 
1 1 1 18  13  2  o 69.69664 6.210062  1053.561       176.7348 979.4871       
278.9930 1103.209       228.4091 67.44368 9.853106 71.94961 7.561467 -4.505928 
12.42012 
1 1 1 18  13  3  o 110.3306 8.463547  2602.742       392.0372 2602.742       
392.0372 0.000000       0.000000 110.3306 8.463547 ?        ?        ? ? 
1 1 1 18  13  4  o 79.61869 6.577133  1358.286       219.6685 1397.668       
318.6648 1322.627       303.2263 80.69780 9.405750 78.53958 9.196009 2.158218 
13.15427 
1 1 1 18  13  5  o 87.07395 4.367544  1564.987       156.0004 1424.870       
197.1282 1799.772       255.1761 82.05307 5.722358 92.09483 6.599725 -10.04176 
8.735087 
1 1 1 18  13  6  o 60.65876 4.655141  781.3092       118.4097 796.5775       
164.5132 764.8971       170.5639 61.29247 6.393147 60.02505 6.768237 1.267426 
9.310283 
1 1 1 18  13  7  o 69.57220 5.021813  1037.117       143.2572 1071.042       
185.5806 987.0912       225.3555 71.09148 6.217788 68.05292 7.887556 3.038567 
10.04363 
1 1 1 18  13  8  o 117.5701 4.681735  2934.363       230.9720 2977.374       
323.0353 2889.375       330.3757 118.4759 6.494431 116.6644 6.745140 1.811523 
9.363469 
1 1 1 18  13  9  f 48.42394 6.517045  531.0672       126.8914 389.5660       
188.9369 647.3361       171.2650 41.69406 10.73230 55.15382 7.396292 -13.45975 
13.03409 
1 1 1 18  13  10 f 77.77219 4.547513  1283.441       148.4124 1272.884       
212.6830 1293.461       207.1981 77.44632 6.541133 78.09807 6.319264 
-0.6517487     9.095027 
1 1 1 18  13  11 o 113.5281 4.860846  2769.433       226.6662 2904.491       
296.0510 2578.111       352.3609 117.0717 6.023314 109.9846 7.630923 7.087173 
9.721692 
1 1 1 18  13  12 o 108.8260 5.190006  2506.722       236.3796 2780.903       
349.5959 2275.799       320.8352 114.2862 7.286077 103.3659 7.393086 10.92025 
10.38001 
1 1 1 18  13  13 o 135.3315 5.566695  3857.402       309.3056 4155.978       
499.4732 3671.679       393.9281 139.3230 8.539067 131.3399 7.143998 7.983078 
11.13339 
1 1 1 18  13  14 o 49.87733 6.128294  531.0918       124.4474 444.3386       
164.4698 647.2851       190.3417 44.73715 9.072927 55.01752 8.240507 -10.28037 
12.25659 
1 1 1 18  13  15 o 91.08168 4.929080  1787.509       182.7502 1663.135       
291.1348 1868.383       234.7641 88.27240 7.855798 93.89095 5.955647 -5.618553 
9.858159 
1 1 1 18  13  16 o 138.1617 4.582084  4059.793       265.1472 3920.783       
384.3615 4186.007       366.2439 135.8378 6.739695 140.4855 6.209548 -4.647644 
9.164167 
1 1 1 18  13  17 o 50.68016 7.240023  572.4413       148.3657 580.8966       
217.8085 565.1219       202.6520 50.95729 10.53848 50.40303 9.930364 0.5542526 
14.48005 
1 1 1 18  13  18 o 108.4400 5.481736  2506.601       249.2925 2446.051       
343.0958 2574.320       362.8378 107.0820 7.631673 109.7980 7.871169 -2.715958 
10.96347 
1 1 1 18  13  19 o 96.36485 4.988256  1963.029       200.1563 1867.969       
264.0813 2091.357       306.8323 93.71027 6.712303 99.01943 7.380771 -5.309158 
9.976512 
1 1 1 18  13  20 o 53.88772 6.830426  595.3096       146.4723 817.4257       
250.6607 480.1405       180.4946 61.45602 9.714999 46.31942 9.604045 15.13661 
13.66085 
1 1 1 18  13  21 o 55.32863 6.253299  653.2104       140.1929 826.0806       
217.7330 530.7905       183.2273 61.90752 8.377258 48.74974 9.286362 13.15778 
12.50660 
1 1 1 18  13  22 o 31.81798 8.036139  198.4004       134.2501 197.3264       
174.0338 199.9787       210.9698 31.16897 10.83831 32.46699 11.86799 -1.298016 
16.07228 
1 1 1 18  13  23 o 102.2447 5.110817  2335.271       201.7619 2487.549       
246.7730 2028.227       350.4121 108.0373 5.440576 96.45206 8.653437 11.58527 
10.22163 
1 1 1 18  13  24 o 91.64601 4.320069  1803.073       165.9966 1908.873       
234.7752 1697.311       234.7341 94.39510 5.924119 88.89691 6.289420 5.498192 
8.640138 
1 1 1 18  13  25 o 91.79729 4.249206  1781.111       156.5419 1916.634       
267.4305 1710.470       193.0766 94.11675 6.768073 89.47784 5.139669 4.638916 
8.498412 
1 1 1 18  13  26 o 68.30216 6.161182  995.6823       149.8767 1120.714       
314.6611 958.9921       170.4545 69.97985 10.71004 66.62447 6.093907 3.355377 
12.32236 
1 1 1 18  13  27 o 53.78341 7.842003  650.3169       142.6749 757.5118       
320.3234 623.7874       159.3549 54.30890 13.97122 53.25792 7.126929 1.050983 
15.68401 
1 1 1 18  13  28 f 62.02205 5.923359  749.4728       138.3208 1178.378       
282.5757 614.3185       158.6241 71.44917 9.420170 52.59492 7.183673 18.85426 
11.84672 
1 1 1 18  13  29 o 45.05694 7.198453  566.7448       134.3871 279.6368       
239.6542 698.4335       162.3068 34.16930 12.63005 55.94458 6.910344 -21.77528 
14.39691 
1 1 1 18  13  30 o 20.71766 6.774686  -76.20915      123.2520 -42.20543      
233.9427 -89.27380      145.0091 23.76753 10.79348 17.66779 8.190623 6.099737 
13.54937 
1 1 1 18  13  31 o 28.61730 7.418815  183.1595       110.8228 242.5730       
195.0124 154.8197       134.6847 31.12177 11.40700 26.11283 9.488704 5.008938 
14.83763 
1 1 1 18  13  32 o 30.58975 8.009656  215.5177       122.6203 331.4837       
243.6179 176.1704       141.9063 34.15723 12.71232 27.02228 9.747571 7.134954 
16.01931 
1 1 1 18  13  33 o 22.53547 7.039727  46.60334       119.1176 -13.47954      
245.6850 65.06722       136.1961 23.64551 10.84184 21.42542 8.982514 2.220097 
14.07945 
1 1 1 18  13  34 o 27.75401 7.566926  208.1108       123.1818 104.3811       
257.7157 238.8262       140.2385 25.94681 11.57939 29.56122 9.744297 -3.614414 
15.13385 
1 1 1 18  13  35 o 31.36918 7.339239  286.9399       105.3134 317.3947       
208.8810 276.5598       121.9471 31.02090 11.72197 31.71745 8.834771 
-0.6965561     14.67848 
1 1 1 18  13  36 o 23.40488 7.375109  69.92183       110.1842 353.1479       
269.9441 13.30123       120.6964 29.25806 12.47140 17.55171 7.876107 11.70635 
14.75022 
1 1 1 18  14  0  o 55.46513 6.469922  632.0310       143.3410 835.3697       
241.6785 521.6843       178.0360 62.36243 9.230729 48.56783 9.068251 13.79460 
12.93984 
1 1 1 18  14  1  o 98.02429 5.239352  1992.735       208.8960 2265.812       
349.4330 1840.868       260.5874 102.9712 8.082938 93.07738 6.668533 9.893814 
10.47870 
1 1 1 18  14  2  o 42.59252 8.167419  390.6814       144.2850 475.4243       
246.1435 346.3199       178.0902 45.84746 12.46277 39.33759 10.55966 6.509869 
16.33484 
1 1 1 18  14  3  o 41.69444 8.380319  386.4349       148.9611 386.6616       
253.0315 386.3146       184.2785 41.90243 13.02185 41.48644 10.55227 0.4159889 
16.76064 
1 1 1 18  14  4  o 80.20201 9.028815  1379.599       304.0150 0.000000       
0.000000 1379.599       304.0150 ?        ?        80.20201 9.028815 ? ? 
1 1 1 18  14  5  o 20.70613 6.515420  -73.10612      113.2305 3.281667       
177.3181 -125.7028      147.1364 23.67543 10.10026 17.73684 8.233320 5.938587 
13.03084 
1 1 1 18  14  6  o 105.5777 4.902259  2340.618       211.1807 2252.824       
266.5363 2488.679       346.1340 103.0876 6.158442 108.0677 7.629034 -4.980026 
9.804518 
1 1 1 18  14  7  o 79.77497 4.788476  1351.292       160.0917 1343.520       
219.6693 1360.095       233.7982 79.55704 6.576758 79.99290 6.961628 
-0.4358673     9.576953 
1 1 1 18  14  8  o 54.68532 6.059939  651.7794       135.2564 701.4485       
187.0338 597.3272       195.8322 57.35855 7.766817 52.01208 9.304193 5.346470 
12.11988 
1 1 1 18  14  9  o 36.87254 7.491281  295.0442       122.1287 359.7146       
184.3363 244.4482       163.0484 40.09317 10.73456 33.65190 10.45210 6.441273 
14.98256 
1 1 1 18  14  10 o 104.2695 4.541325  2309.423       194.7135 2296.222       
307.5480 2318.253       251.5493 103.9049 7.050147 104.6342 5.726250 
-0.7293930     9.082649 
1 1 1 18  14  11 o 40.45173 7.263260  374.8571       131.2147 191.6604       
193.4130 531.0704       178.6018 31.87473 11.39159 49.02873 9.013961 -17.15399 
14.52652 
1 1 1 18  14  12 o 103.2018 4.453409  2254.752       192.1432 2205.552       
258.8734 2315.104       286.7180 101.9946 6.045487 104.4090 6.540909 -2.414383 
8.906818 
1 1 1 18  14  13 o 103.9322 4.991323  2124.263       202.2351 2779.865       
379.6178 1864.469       238.9686 114.0948 7.925048 93.76958 6.070158 20.32518 
9.982645 
1 1 1 18  14  14 o 61.06172 5.803923  797.0471       148.6976 834.8682       
211.7541 760.2542       208.8563 62.50923 8.068796 59.61421 8.344855 2.895020 
11.60785 
1 1 1 18  14  15 o 59.61094 6.452891  871.5688       139.5985 502.6118       
225.8665 1099.625       177.5763 47.18031 11.49299 72.04157 5.871145 -24.86126 
12.90578 
1 1 1 18  14  16 o 37.75097 7.135284  315.9050       114.9549 347.0838       
170.8917 290.1367       155.3579 39.37860 10.24171 36.12334 9.937625 3.255253 
14.27057 
1 1 1 18  14  17 o 79.10277 5.546205  1334.388       183.9151 1438.298       
264.0345 1236.456       256.3273 82.12204 7.658116 76.08350 8.024638 6.038536 
11.09241 
1 1 1 18  14  18 o 37.27448 8.400090  300.3951       148.6934 261.0526       
220.6826 333.1073       201.2296 35.75348 12.22365 38.79548 11.52512 -3.042007 
16.80018 
1 1 1 18  14  19 o 183.2903 7.668708  7267.929       577.9858 7466.644       
919.1024 7137.938       743.3715 184.7480 11.84964 181.8326 9.737672 2.915344 
15.33742 
1 1 1 18  14  20 o 94.54859 4.862916  1780.568       182.1763 2294.904       
329.8757 1554.864       218.5224 103.5629 7.586953 85.53433 6.085223 18.02852 
9.725831 
1 1 1 18  14  21 o 26.16062 7.206754  72.13174       121.2610 -40.70550      
171.9109 183.8680       171.0701 21.80904 9.620908 30.51221 10.73254 -8.703175 
14.41351 
1 1 1 18  14  22 o 39.84149 7.979764  336.9078       144.5039 199.8279       
189.1862 528.8869       223.8873 31.74251 11.27421 47.94048 11.29596 -16.19797 
15.95953 
1 1 1 18  14  23 o 60.67960 6.178488  796.1898       155.6268 756.8828       
203.3540 851.7548       241.7790 59.02493 8.206131 62.33429 9.238737 -3.309361 
12.35698 
1 1 1 18  14  24 o 29.20512 7.308640  176.3978       107.7930 84.31741       
214.7135 207.4254       124.6380 27.96478 11.45852 30.44546 9.075632 -2.480677 
14.61728 
1 1 1 18  14  25 o 105.3384 3.883440  2394.472       170.3657 2138.210       
247.1642 2626.428       235.1514 99.76628 5.900964 110.9105 5.050054 -11.14420 
7.766880 
1 1 1 18  14  26 o 28.51063 8.218320  109.3093       129.9164 113.3021       
296.4096 108.3598       144.5396 31.72518 13.27336 25.29609 9.694385 6.429090 
16.43664 
1 1 1 18  14  27 o 72.07108 6.713135  1286.108       155.9749 1014.660       
321.3564 1369.763       178.3973 64.41139 12.32321 79.73075 5.329463 -15.31936 
13.42627 
1 1 1 18  14  28 o 114.8908 4.362146  2777.436       189.9807 3153.814       
364.6027 2637.162       222.5853 119.1011 7.291638 110.6804 4.790122 8.420685 
8.724292 
1 1 1 18  14  29 o 35.21546 8.057150  282.5798       125.1675 390.9880       
236.9316 240.6120       147.4178 38.81682 12.66568 31.61411 9.962495 7.202713 
16.11430 
1 1 1 18  14  30 f 89.54735 5.109746  1843.185       175.7380 1743.590       
313.3076 1888.905       212.2760 86.32485 8.644823 92.76984 5.450233 -6.444984 
10.21949 
1 1 1 18  14  31 o 32.08542 7.792112  259.7080       119.1009 248.1570       
235.7671 263.6656       138.0042 31.78734 12.33557 32.38350 9.523746 
-0.5961590     15.58422 
1 1 1 18  14  32 o 23.46367 7.216387  56.03163       118.0593 60.70094       
239.0189 54.52486       135.7784 25.64303 11.32414 21.28432 8.948114 4.358713 
14.43277 
1 1 1 18  14  33 o 20.69214 6.601818  7.118903       111.1089 -141.0816      
242.7060 46.41281       124.9736 21.21374 10.07234 20.17055 8.537210 1.043196 
13.20364 
1 1 1 18  14  34 o 22.09033 6.838138  64.28579       106.7195 -73.46951      
261.7141 91.75967       116.8780 22.62363 10.63666 21.55703 8.596627 1.066599 
13.67628 
1 1 1 18  14  35 o 17.33297 6.014574  -168.9542      119.3668 -156.8255      
249.1613 -172.5671      135.9880 20.22101 9.761610 14.44493 7.029321 5.776077 
12.02915 
1 1 1 18  14  36 o 24.78642 7.529775  109.9357       106.9804 390.3145       
265.1456 55.41605       116.9198 30.61710 12.66506 18.95573 8.147782 11.66137 
15.05955 
1 1 1 18  15  0  o 134.5472 5.998699  3874.279       338.6135 3860.344       
487.5600 3887.263       470.6320 134.2629 8.649545 134.8315 8.314021 
-0.5686646     11.99740 
1 1 1 18  15  1  o 76.95859 5.936790  1205.090       179.2916 1442.764       
327.6242 1103.482       214.2149 81.90206 9.528011 72.01511 7.085118 9.886948 
11.87358 
1 1 1 18  15  2  f 184.4799 7.442901  7305.868       564.4805 7633.529       
901.9036 7094.858       723.7654 187.3468 11.46661 181.6130 9.492311 5.733780 
14.88580 
1 1 1 18  15  3  o 99.69690 5.435975  2127.617       226.1739 2045.209       
334.7594 2196.828       306.7847 97.81541 8.151670 101.5784 7.193718 -3.762970 
10.87195 
1 1 1 18  15  4  o 45.88720 7.435943  455.4873       140.4156 336.4538       
183.4562 623.8510       218.1835 38.82831 10.84292 52.94609 10.17861 -14.11778 
14.87189 
1 1 1 18  15  5  o 141.3886 5.355996  4270.132       314.2761 4206.404       
480.1686 4317.891       415.6807 140.2915 8.152360 142.4857 6.948797 -2.194168 
10.71199 
1 1 1 18  15  6  o 171.7330 9.633345  6346.613       694.5601 6346.613       
694.5601 0.000000       0.000000 171.7330 9.633345 ?        ?        ? ? 
1 1 1 18  15  7  o 32.24512 7.486702  83.61251       144.0572 452.7047       
225.3579 -171.4202      187.3282 44.79028 11.81328 19.69997 9.200505 25.09032 
14.97340 
1 1 1 18  15  8  o 59.55593 6.143359  782.3895       143.5008 1060.333       
207.0305 525.3725       199.0843 70.60854 6.983902 48.50332 10.10884 22.10522 
12.28672 
1 1 1 18  15  9  o 69.53463 5.197685  1008.224       150.1316 1204.046       
233.0082 869.2242       196.3128 75.18219 7.382055 63.88707 7.319083 11.29512 
10.39537 
1 1 1 18  15  10 o 92.27371 4.878380  1783.014       187.5260 1544.496       
248.6523 2097.610       285.5669 85.21749 6.949999 99.32994 6.847764 -14.11245 
9.756760 
1 1 1 18  15  11 o 81.72932 4.457750  1419.633       152.6720 1328.326       
216.8153 1509.432       215.0177 79.08659 6.529922 84.37205 6.070111 -5.285454 
8.915500 
1 1 1 18  15  12 o 210.7116 7.386203  9587.120       625.6998 9644.645       
1047.497 9555.210       780.1777 210.3116 11.86344 211.1116 8.802431 
-0.7999420     14.77241 
1 1 1 18  15  13 o 179.5165 5.471151  6769.112       400.4571 7318.443       
659.6961 6448.576       503.9244 184.8944 8.498482 174.1386 6.892733 10.75580 
10.94230 
1 1 1 18  15  14 o 27.94862 7.609789  110.1520       128.9951 37.82109       
191.5162 170.2143       174.5195 25.69957 10.70540 30.19768 10.81804 -4.498110 
15.21958 
1 1 1 18  15  15 o 82.98528 4.869680  1463.623       169.5435 1390.185       
237.5617 1539.858       242.0425 80.84718 6.998946 85.12338 6.772732 -4.276199 
9.739361 
1 1 1 18  15  16 o 63.70065 5.286499  868.3597       140.6198 910.4605       
192.2966 819.9701       206.1592 65.42569 7.000747 61.97560 7.923245 3.450089 
10.57300 
1 1 1 18  15  17 o 33.70728 7.137968  87.77207       147.0245 535.5004       
223.3683 -254.4893      195.2959 48.75910 11.14920 18.65547 8.916142 30.10363 
14.27594 
1 1 1 18  15  18 o 63.72588 6.168836  864.5073       164.4151 955.6735       
245.5212 790.3852       221.3838 66.74300 8.762021 60.70874 8.685916 6.034260 
12.33767 
1 1 1 18  15  19 o 92.37613 5.259984  1821.639       203.8683 1827.455       
293.7516 1816.236       283.1662 92.49187 7.564806 92.26038 7.310502 0.2314987 
10.51997 
1 1 1 18  15  20 o 40.46741 6.872241  387.7119       134.3612 610.9775       
174.8719 65.96493       209.9260 53.38906 7.801690 27.54576 11.31567 25.84331 
13.74448 
1 1 1 18  15  21 o 57.98428 6.294976  769.3513       142.2251 902.2717       
187.5438 589.4406       218.1902 64.95242 6.877465 51.01613 10.54549 13.93628 
12.58995 
1 1 1 18  15  22 o 51.66750 6.322451  562.4785       126.7758 509.3037       
153.5343 676.4188       224.7459 48.62768 7.520434 54.70731 10.16546 -6.079624 
12.64490 
1 1 1 18  15  23 o 41.60155 8.504369  400.0488       156.9990 440.2038       
227.4505 363.5059       216.9796 43.43610 12.05486 39.76701 11.99906 3.669086 
17.00874 
1 1 1 18  15  24 o 66.28427 5.760186  1010.330       137.7601 849.8008       
263.3665 1070.795       161.6357 61.76505 10.15638 70.80350 5.437553 -9.038448 
11.52037 
1 1 1 18  15  25 o 58.25302 5.931653  780.2644       129.2897 683.7430       
224.3946 828.2303       158.1856 54.46321 10.19107 62.04282 6.072904 -7.579613 
11.86331 
1 1 1 18  15  26 f 76.42885 5.925343  1277.015       152.1362 1321.633       
338.7216 1265.739       170.2780 76.04588 10.60934 76.81181 5.280216 
-0.7659302     11.85069 
1 1 1 18  15  27 o 62.60062 6.841170  1019.612       149.2298 634.7074       
261.4167 1205.672       181.7539 50.57884 12.39152 74.62240 5.801438 -24.04356 
13.68234 
1 1 1 18  15  28 o 32.30773 8.042018  226.0921       125.1162 277.6600       
238.1910 206.4420       147.0344 34.63200 12.61521 29.98345 9.977605 4.648546 
16.08404 
1 1 1 18  15  29 f 64.55801 6.187630  1010.516       147.3090 846.7350       
255.3349 1092.226       180.3495 58.66734 10.76873 70.44868 6.097661 -11.78135 
12.37526 
1 1 1 18  15  30 o 74.79424 5.465529  1330.833       158.1980 1120.417       
267.6493 1443.814       196.1234 68.68567 9.281562 80.90281 5.774135 -12.21714 
10.93106 
1 1 1 18  15  31 o 45.47383 7.432790  463.2802       121.3721 694.8248       
258.0546 397.5096       137.5340 50.41433 12.28706 40.53334 8.367413 9.880993 
14.86558 
1 1 1 18  15  32 o 19.68974 6.520631  -72.44311      116.2023 -93.45112      
236.8970 -65.78687      133.3465 22.19439 10.35808 17.18509 7.923681 5.009302 
13.04126 
1 1 1 18  15  33 o 31.58267 7.250298  263.4968       103.7450 268.5549       
200.1819 261.6393       121.3070 31.21487 11.54213 31.95046 8.777618 
-0.7355919     14.50060 
1 1 1 18  15  34 o 48.07159 7.439128  648.1196       130.6776 609.9282       
263.0240 660.6362       150.5764 43.17701 13.24804 52.96617 6.771416 -9.789165 
14.87826 
1 1 1 18  15  35 o 27.45504 7.640009  201.4442       115.2334 231.3472       
256.3828 193.8742       128.9972 28.26760 12.10489 26.64247 9.324736 1.625128 
15.28002 
1 1 1 18  15  36 o 26.55546 7.215027  165.7311       94.18475 369.0231       
211.6055 115.5069       105.1776 31.63971 11.83330 21.47120 8.258293 10.16851 
14.43005 
1 1 1 18  16  0  o 55.37676 6.876400  675.7140       152.1509 648.3674       
240.4771 693.9689       196.4776 53.77681 11.03065 56.97670 8.213661 -3.199890 
13.75280 
1 1 1 18  16  1  o 109.3241 5.384847  2569.387       243.3923 2410.730       
371.4016 2688.813       322.2293 106.1755 8.331830 112.4728 6.823997 -6.297234 
10.76969 
1 1 1 18  16  2  o 111.8835 5.255615  2663.207       246.5996 2592.838       
339.3228 2741.973       358.9972 110.3430 7.324694 113.4240 7.538887 -3.081009 
10.51123 
1 1 1 18  16  3  o 160.4028 7.617386  5471.067       476.4570 5305.372       
572.3598 5845.030       859.8593 157.3834 8.662261 163.4221 12.53250 -6.038696 
15.23477 
1 1 1 18  16  4  o 76.58252 5.703738  1255.447       181.0050 1268.560       
238.4081 1237.602       278.1140 77.16791 7.358771 75.99713 8.716593 1.170776 
11.40748 
1 1 1 18  16  5  o 42.83252 7.194896  409.1056       127.5247 463.0354       
186.7777 362.0122       174.5381 45.48085 10.05019 40.18418 10.29853 5.296669 
14.38979 
1 1 1 18  16  6  o 101.9772 5.359715  2221.167       229.0285 2082.346       
325.7802 2356.821       322.0425 98.76247 7.856948 105.1919 7.292088 -6.429459 
10.71943 
1 1 1 18  16  7  o 120.1955 8.072464  3087.060       407.3550 0.000000       
0.000000 3087.060       407.3550 ?        ?        120.1955 8.072464 ? ? 
1 1 1 18  16  8  o 100.3795 7.323777  2146.359       308.6450 2146.359       
308.6450 0.000000       0.000000 100.3795 7.323777 ?        ?        ? ? 
1 1 1 18  16  9  o 98.67903 6.126348  1976.547       234.7984 1814.082       
278.1471 2379.360       437.9721 92.30958 7.177097 105.0485 9.930652 -12.73890 
12.25270 
1 1 1 18  16  10 o 34.84706 7.195103  254.3070       124.3122 76.71465       
179.2069 419.0228       172.5879 26.40256 10.59955 43.29157 9.732813 -16.88901 
14.39021 
1 1 1 18  16  11 o 25.20893 7.257812  53.28052       122.7483 -7.267725      
182.2648 103.5353       166.0506 23.63464 10.16642 26.78323 10.36085 -3.148584 
14.51562 
1 1 1 18  16  12 o 102.8430 4.498266  2246.525       194.0187 2134.049       
274.8477 2358.244       273.9225 100.2449 6.530568 105.4412 6.187831 -5.196274 
8.996531 
1 1 1 18  16  13 o 197.8024 7.897347  8475.014       647.2558 8588.780       
1001.249 8393.340       848.3509 198.4299 12.01866 197.1750 10.24813 1.254898 
15.79469 
1 1 1 18  16  14 o 128.1768 4.827460  3492.859       259.7128 3409.356       
367.8697 3575.837       366.7116 126.6275 6.919699 129.7262 6.733145 -3.098763 
9.654920 
1 1 1 18  16  15 o 54.98201 6.398311  651.8773       144.2164 728.6928       
215.5589 589.6332       194.0397 58.31136 8.805091 51.65266 9.285682 6.658695 
12.79662 
1 1 1 18  16  16 o 42.21152 7.821112  391.5261       144.4878 547.2639       
212.2422 257.0084       197.2534 49.41476 10.54157 35.00827 11.55658 14.40649 
15.64222 
1 1 1 18  16  17 o 36.57051 8.168666  266.0139       148.3652 431.4815       
218.8399 125.2682       201.8308 43.73560 11.68994 29.40541 11.41288 14.33019 
16.33733 
1 1 1 18  16  18 o 109.2847 4.514913  2523.217       206.0607 2668.401       
310.8297 2409.381       275.2341 112.0276 6.608738 106.5417 6.153237 5.485870 
9.029825 
1 1 1 18  16  19 o 105.9599 4.818287  2362.494       192.9297 2325.016       
227.0270 2459.914       366.0286 104.7966 5.160020 107.1231 8.138658 -2.326538 
9.636574 
1 1 1 18  16  20 o 75.58875 5.094064  1216.940       155.8423 1203.110       
195.5137 1241.038       258.0773 75.18431 6.193998 75.99317 8.089026 
-0.8088608     10.18813 
1 1 1 18  16  21 o 51.53112 6.968322  565.4725       146.0593 306.7827       
189.8078 941.0562       228.7062 37.03093 11.23250 66.03132 8.249906 -29.00039 
13.93664 
1 1 1 18  16  22 o 20.94369 6.791767  -224.3657      147.1946 -472.8910      
210.1948 14.78452       206.1920 16.40724 8.130443 25.48014 10.88156 -9.072899 
13.58353 
1 1 1 18  16  23 o 84.53126 4.248587  1577.133       138.5232 1400.619       
243.0026 1662.104       168.5994 80.57011 7.183863 88.49240 4.538070 -7.922287 
8.497174 
1 1 1 18  16  24 o 84.94293 4.528885  1571.157       149.5230 1499.823       
263.9659 1604.860       181.4386 83.09847 7.566164 86.78739 4.979596 -3.688919 
9.057771 
1 1 1 18  16  25 o 24.55416 7.186365  -23.44830      116.9444 198.0358       
216.3334 -114.8925      139.0050 32.01348 11.96642 17.09483 7.961171 14.91864 
14.37273 
1 1 1 18  16  26 o 79.75009 5.174178  1311.496       154.7192 1579.145       
306.0448 1219.607       179.3221 84.24252 8.653160 75.25768 5.675499 8.984840 
10.34836 
1 1 1 18  16  27 o 28.00555 7.832156  116.2217       125.6041 191.7702       
234.4886 85.82314       148.7426 31.70002 12.30200 24.31108 9.696984 7.388943 
15.66431 
1 1 1 18  16  28 o 61.30440 5.861989  844.1369       139.0883 863.1213       
250.2825 835.6542       167.3009 60.94013 9.782464 61.66867 6.461818 
-0.7285423     11.72398 
1 1 1 18  16  29 o 33.53705 8.076059  258.5531       125.7927 317.5390       
240.1079 236.2383       147.6823 35.70480 12.69922 31.36930 9.981021 4.335499 
16.15212 
1 1 1 18  16  30 o 67.75676 6.331841  1116.807       139.1688 1022.769       
294.9070 1143.749       157.8507 63.17623 11.54788 72.33730 5.197630 -9.161064 
12.66368 
1 1 1 18  16  31 o 27.14389 7.027256  170.1470       100.5753 121.3607       
193.8789 188.1094       117.6423 26.41868 10.86731 27.86909 8.912401 -1.450409 
14.05451 
1 1 1 18  16  32 o 23.39551 7.257423  33.33552       117.3843 120.6706       
241.7435 6.390288       134.2769 27.33238 11.73095 19.45865 8.547840 7.873726 
14.51485 
1 1 1 18  16  33 o 34.48620 7.690864  341.3725       121.9075 264.5016       
250.0667 365.3365       139.6223 31.19538 12.52209 37.77703 8.932798 -6.581652 
15.38173 
1 1 1 18  16  34 o 38.47961 8.091414  374.8114       121.9043 596.4886       
261.0840 313.0101       137.8537 42.76440 13.21490 34.19481 9.340786 8.569599 
16.18283 
1 1 1 18  16  35 o 60.89329 6.937713  992.6566       129.0403 1007.517       
295.8537 989.1654       143.3991 55.85498 12.87205 65.93160 5.180527 -10.07662 
13.87543 
1 1 1 18  16  36 o 34.51321 7.488955  399.0735       115.9185 361.9923       
263.4791 407.9736       129.0823 30.13954 12.55589 38.88688 8.166245 -8.747343 
14.97791 
1 1 1 18  17  0  o 92.16560 5.337474  1797.832       203.1803 1889.376       
320.5432 1736.348       262.6950 93.99571 8.122684 90.33550 6.926510 3.660210 
10.67495 
1 1 1 18  17  1  o 23.73479 7.125854  8.601921       122.0298 31.31021       
189.8299 -7.390977      159.3074 25.36832 10.61856 22.10126 9.505652 3.267061 
14.25171 
1 1 1 18  17  2  o 84.56708 4.996391  1490.988       175.5944 1273.485       
230.5117 1791.690       271.0373 77.36175 7.097212 91.77242 7.034577 -14.41067 
9.992783 
1 1 1 18  17  3  o 86.41911 5.458462  1578.065       188.3208 1545.662       
231.7726 1641.019       323.0602 85.32905 6.469732 87.50917 8.793281 -2.180122 
10.91692 
1 1 1 18  17  4  o 58.51221 6.210635  732.7950       152.4148 715.9819       
210.0280 751.4991       221.5255 57.82171 8.651818 59.20272 8.912576 -1.381004 
12.42127 
1 1 1 18  17  5  o 104.3691 4.568126  2289.802       194.7125 2408.699       
317.6716 2218.253       246.4302 106.3948 7.111796 102.3435 5.735283 4.051262 
9.136252 
1 1 1 18  17  6  o 41.58754 7.879184  388.4958       145.2391 255.2818       
207.7531 515.8385       203.1234 35.18763 11.86016 47.98745 10.37606 -12.79982 
15.75837 
1 1 1 18  17  7  o 138.8260 5.713800  4119.723       332.7610 4186.126       
463.9107 4049.350       477.5771 140.0350 7.890758 137.6169 8.265953 2.418182 
11.42760 
1 1 1 18  17  8  o 48.87490 8.386633  542.5364       170.8728 600.6728       
238.1462 480.8474       245.3144 51.64834 11.29348 46.10147 12.40160 5.546867 
16.77327 
1 1 1 18  17  9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  17  10 o 76.03284 6.931505  1218.836       217.6027 1579.948       
332.9109 949.4704       287.5267 85.76570 9.245606 66.29996 10.32966 19.46574 
13.86301 
1 1 1 18  17  11 o 62.80241 5.366454  842.6375       141.1277 779.5159       
200.6564 904.4282       198.5301 60.42847 7.909200 65.17636 7.255333 -4.747890 
10.73291 
1 1 1 18  17  12 o 85.03501 4.562204  1533.021       162.7095 1633.138       
234.3082 1439.778       226.1220 87.72613 6.361794 82.34389 6.540825 5.382233 
9.124408 
1 1 1 18  17  13 o 106.1115 4.825131  2389.737       214.7393 2468.785       
312.3509 2318.888       295.7068 107.7574 6.904252 104.4655 6.742319 3.291878 
9.650262 
1 1 1 18  17  14 o 59.28099 5.842584  745.7930       144.8764 829.9475       
215.6405 676.5566       195.5954 62.30934 8.243248 56.25265 8.282029 6.056686 
11.68517 
1 1 1 18  17  15 o 122.3926 5.130627  3197.503       262.9599 3007.195       
377.3030 3377.253       366.6871 118.7668 7.566867 126.0184 6.930790 -7.251572 
10.26125 
1 1 1 18  17  16 o 125.0658 5.522296  3340.310       288.2974 3327.547       
430.7833 3350.663       387.9939 124.7352 8.226045 125.3964 7.369886 
-0.6612549     11.04459 
1 1 1 18  17  17 o 85.16977 5.130497  1538.069       182.1421 1609.289       
277.0221 1483.835       241.7426 86.83594 7.598642 83.50360 6.895554 3.332336 
10.26099 
1 1 1 18  17  18 o 33.79090 7.415454  194.7470       126.2715 44.15874       
162.1288 426.9289       201.3162 24.11853 9.932224 43.46327 11.01393 -19.34473 
14.83091 
1 1 1 18  17  19 o 92.53151 4.012269  1711.502       148.5272 1495.840       
180.1005 2170.024       262.6085 84.04420 5.104206 101.0188 6.191953 -16.97461 
8.024537 
1 1 1 18  17  20 o 82.66947 5.020855  1471.858       171.0492 1516.668       
223.7055 1408.786       265.4048 84.35777 6.316445 80.98118 7.806309 3.376587 
10.04171 
1 1 1 18  17  21 o 81.14661 5.142171  1406.336       174.6728 1277.288       
237.7582 1557.664       257.4665 77.10584 7.344619 85.18737 7.198907 -8.081528 
10.28434 
1 1 1 18  17  22 o 30.52728 7.016596  152.5612       107.7514 345.9269       
180.0857 44.73236       134.4797 38.86364 10.70274 22.19092 9.076440 16.67272 
14.03319 
1 1 1 18  17  23 o 93.40096 4.255859  1899.075       149.0775 1796.710       
279.0937 1939.941       176.3415 91.18018 7.290723 95.62172 4.392575 -4.441536 
8.511719 
1 1 1 18  17  24 o 56.64188 5.496130  672.8674       111.4163 750.1426       
232.6057 649.8589       126.9240 58.15790 9.526484 55.12587 5.484150 3.032036 
10.99226 
1 1 1 18  17  25 o 89.35844 4.715093  1647.012       160.1161 1926.637       
308.3298 1543.760       187.3599 93.78716 7.830566 84.92972 5.254580 8.857437 
9.430185 
1 1 1 18  17  26 o 34.58248 6.398664  306.8816       104.5831 69.86324       
193.0882 405.2826       124.4127 26.05397 10.79455 43.11099 6.873812 -17.05702 
12.79733 
1 1 1 18  17  27 o 38.60840 8.078380  291.8412       129.7273 564.8977       
255.7226 197.2191       150.5356 47.46341 12.61419 29.75339 10.09570 17.71002 
16.15676 
1 1 1 18  17  28 o 54.36986 6.218029  616.6650       131.0184 838.3506       
249.3177 532.0881       153.9964 59.93734 9.907788 48.80238 7.516067 11.13496 
12.43606 
1 1 1 18  17  29 o 28.54000 7.685699  153.6918       111.2838 215.2659       
235.4541 135.9808       126.2782 31.67552 12.32012 25.40447 9.192082 6.271049 
15.37140 
1 1 1 18  17  30 o 21.43855 6.757206  -1.293576      115.1793 -146.4933      
237.0631 43.57344       131.7785 21.81404 10.22797 21.06306 8.833348 0.7509747 
13.51441 
1 1 1 18  17  31 o 56.47937 6.690598  812.0178       129.9299 710.7689       
255.0749 847.4934       150.9862 51.24672 12.04557 61.71201 5.827584 -10.46529 
13.38120 
1 1 1 18  17  32 o 29.92338 7.035107  230.8858       98.45647 182.5640       
201.6688 246.0075       112.8148 28.37211 11.29920 31.47466 8.384455 -3.102543 
14.07021 
1 1 1 18  17  33 o 32.21404 7.995214  249.3221       115.5169 394.8123       
250.2114 209.9112       130.2262 35.87029 12.94301 28.55779 9.390011 7.312490 
15.99043 
1 1 1 18  17  34 o 27.09401 7.625991  159.2489       109.8527 260.9815       
246.1144 133.9386       122.7598 30.28172 12.31444 23.90630 8.998756 6.375423 
15.25198 
1 1 1 18  17  35 o 18.75723 6.425035  -186.7263      106.3521 128.2425       
248.4345 -257.3991      117.6805 25.66788 11.41428 11.84657 5.902417 13.82131 
12.85007 
1 1 1 18  17  36 o 18.09871 6.162009  -61.37023      106.8624 -76.78238      
252.9568 -58.02216      117.8996 20.78227 9.983983 15.41514 7.225060 5.367130 
12.32402 
1 1 1 18  18  0  o 49.36513 6.166979  516.3735       123.5238 646.3687       
194.1731 428.0029       160.0955 54.88819 8.426189 43.84206 9.006989 11.04613 
12.33396 
1 1 1 18  18  1  o 163.7810 5.735452  5735.774       394.1960 5852.299       
567.9557 5627.469       547.5583 165.3582 8.181066 162.2038 8.040635 3.154373 
11.47090 
1 1 1 18  18  2  o 115.0821 4.799102  2816.447       231.8508 2853.323       
327.4497 2779.373       328.3252 115.8494 6.732430 114.3149 6.841046 1.534554 
9.598205 
1 1 1 18  18  3  o 80.28766 5.514124  1379.947       185.0536 1429.406       
253.1186 1323.157       271.2298 81.90991 7.360522 78.66540 8.212489 3.244514 
11.02825 
1 1 1 18  18  4  o 66.12357 5.889435  943.1749       161.8371 1072.893       
225.9258 806.4622       231.9369 70.93828 7.585885 61.30886 9.010890 9.629414 
11.77887 
1 1 1 18  18  5  o 116.9074 5.105631  2901.861       245.0763 2945.896       
390.7341 2873.302       314.6676 117.4709 7.922677 116.3439 6.442131 1.127045 
10.21126 
1 1 1 18  18  6  o 32.36823 8.216882  194.5312       143.0961 237.0311       
202.0491 151.7615       202.6893 34.20387 11.69621 30.53259 11.54414 3.671282 
16.43376 
1 1 1 18  18  7  o 110.7745 6.270019  2605.527       275.3744 2706.863       
478.8074 2555.441       336.6166 112.0026 10.18249 109.5463 7.319118 2.456223 
12.54004 
1 1 1 18  18  8  o 97.73938 6.398228  2005.847       259.7312 2416.650       
402.4745 1712.667       340.0073 106.1361 9.032259 89.34270 9.064633 16.79337 
12.79646 
1 1 1 18  18  9  o 80.53851 6.912642  1406.516       231.4651 1196.611       
329.4113 1611.226       325.3095 74.39474 10.54672 86.68227 8.938972 -12.28752 
13.82528 
1 1 1 18  18  10 o 72.52526 7.234514  1111.332       217.8516 931.3494       
286.2224 1359.181       335.8784 65.66250 10.38263 79.38802 10.07739 -13.72552 
14.46903 
1 1 1 18  18  11 o 111.2465 9.432878  2660.178       440.5647 2660.178       
440.5647 0.000000       0.000000 111.2465 9.432878 ?        ?        ? ? 
1 1 1 18  18  12 o 125.1591 6.495561  3243.777       319.3644 3704.371       
577.1475 3040.504       383.4141 130.9068 10.50136 119.4115 7.647914 11.49529 
12.99112 
1 1 1 18  18  13 o 42.22080 7.578238  399.4746       133.9632 408.5106       
201.9431 392.3732       179.0257 42.61717 11.15638 41.82443 10.25934 0.7927399 
15.15648 
1 1 1 18  18  14 o 113.1460 4.615774  2712.788       218.0217 2664.584       
292.0338 2773.484       327.6974 112.0757 6.206442 114.2164 6.833852 -2.140717 
9.231547 
1 1 1 18  18  15 o 110.6875 4.633290  2549.965       212.2040 2911.929       
336.5569 2311.110       273.3962 117.0141 6.850799 104.3608 6.239878 12.65332 
9.266581 
1 1 1 18  18  16 o 153.5793 5.217405  5008.169       330.0856 5136.451       
522.3647 4922.895       425.8922 154.9917 8.027612 152.1670 6.666538 2.824768 
10.43481 
1 1 1 18  18  17 o 64.46243 5.315198  912.6073       139.5536 1052.354       
186.6466 735.4406       210.1555 70.37959 6.316760 58.54527 8.550079 11.83433 
10.63040 
1 1 1 18  18  18 o 28.32199 7.648865  121.8702       124.4241 98.75308       
159.9376 157.3088       198.0264 26.18789 10.16053 30.45608 11.43609 -4.268192 
15.29773 
1 1 1 18  18  19 o 43.72380 6.921226  418.5232       117.8701 396.1174       
143.1685 465.6609       207.6596 42.21321 8.376011 45.23440 11.02070 -3.021187 
13.84245 
1 1 1 18  18  20 o 89.62085 4.986017  1731.830       185.7809 1466.235       
263.6454 1993.783       261.8316 82.60425 7.602193 96.63745 6.453535 -14.03320 
9.972034 
1 1 1 18  18  21 o 32.13010 7.868608  141.8948       151.0563 -91.36662      
209.3584 395.1945       218.1656 22.79340 10.29333 41.46680 11.90409 -18.67340 
15.73722 
1 1 1 18  18  22 o 165.3971 5.555348  5910.424       334.8747 5956.656       
664.7705 5894.704       387.6527 164.5454 9.622925 166.2487 5.553996 -1.703308 
11.11070 
1 1 1 18  18  23 o 92.15105 4.240669  1816.606       155.0504 1828.122       
267.1021 1810.754       190.4172 92.06491 6.910417 92.23720 4.917238 
-0.1722870     8.481339 
1 1 1 18  18  24 o 56.34921 6.518309  794.7801       126.0859 550.8582       
237.7746 890.2000       148.7167 48.20232 11.82324 64.49609 5.492216 -16.29376 
13.03662 
1 1 1 18  18  25 o 61.32276 4.989394  798.9529       123.0756 886.0403       
210.3260 753.6044       151.7740 63.53484 7.885007 59.11068 6.115788 4.424156 
9.978787 
1 1 1 18  18  26 o 49.56836 7.041960  588.5486       131.6825 515.5765       
238.7709 620.4446       157.8598 45.88956 12.18574 53.24716 7.061488 -7.357597 
14.08392 
1 1 1 18  18  27 o 26.52023 7.082803  109.8384       125.0707 -193.2807      
232.2031 233.7187       148.4440 21.35497 10.03403 31.68549 9.999133 -10.33052 
14.16561 
1 1 1 18  18  28 f 30.16800 7.897027  159.8230       120.8379 310.5675       
235.5645 105.9906       140.7702 35.75449 12.59239 24.58150 9.533300 11.17299 
15.79405 
1 1 1 18  18  29 o 42.70291 7.436544  416.2062       116.5905 537.7330       
243.3653 380.0056       132.8253 45.20859 12.43822 40.19723 8.154718 5.011360 
14.87309 
1 1 1 18  18  30 o 31.32997 7.367130  253.2344       113.6398 114.1620       
237.0714 294.7227       129.4856 27.90299 11.78158 34.75695 8.848319 -6.853960 
14.73426 
1 1 1 18  18  31 o 58.22178 6.970908  888.0202       135.2392 740.7858       
273.9843 935.4484       155.5032 51.55756 12.71964 64.88599 5.708335 -13.32843 
13.94182 
1 1 1 18  18  32 o 22.31032 7.049938  -94.29647      112.8012 226.2481       
244.5952 -180.8870      127.1273 30.51777 12.32860 14.10287 6.841943 16.41491 
14.09988 
1 1 1 18  18  33 o 53.58063 5.613442  643.8956       98.14942 787.5222       
222.8188 609.3185       109.3273 54.76966 10.06670 52.39159 4.970364 2.378071 
11.22688 
1 1 1 18  18  34 o 16.96218 5.778806  -127.2044      89.32022 -8.848139      
201.3596 -156.1982      99.66194 21.74751 9.912714 12.17686 5.942769 9.570651 
11.55761 
1 1 1 18  18  35 o 30.09241 7.437025  271.0209       110.6535 198.0573       
264.0226 286.5678       121.8735 27.55648 12.04626 32.62833 8.724957 -5.071854 
14.87405 
1 1 1 18  18  36 o 26.50964 7.561141  183.9901       104.8183 320.9561       
263.1127 158.1523       114.2781 29.03399 12.34229 23.98529 8.737926 5.048704 
15.12228 
1 1 1 18  19  0  o 37.41793 7.917652  312.5371       133.0130 301.6437       
206.0509 320.3197       174.1622 37.10061 11.78805 37.73526 10.57349 
-0.6346474     15.83530 
1 1 1 18  19  1  o 91.87946 4.564278  1775.301       174.1681 1937.313       
270.9185 1661.174       227.3833 95.34808 6.767805 88.41085 6.125958 6.937225 
9.128556 
1 1 1 18  19  2  o 32.42694 7.802182  213.1534       128.7465 156.7429       
188.2663 262.7089       176.4569 30.07126 11.17850 34.78263 10.88748 -4.711370 
15.60436 
1 1 1 18  19  3  o 57.97663 6.762319  742.6490       157.3321 778.8602       
206.3934 692.4187       243.0841 60.32674 8.149053 55.62651 10.79392 4.700230 
13.52464 
1 1 1 18  19  4  o 139.9739 6.329302  4178.319       351.5691 4120.080       
430.7335 4294.553       608.5091 139.0227 7.379791 140.9252 10.28489 -1.902481 
12.65860 
1 1 1 18  19  5  o 64.51126 5.670561  838.2592       147.7485 1083.536       
255.2217 714.6277       181.1983 71.12336 8.547250 57.89916 7.454231 13.22420 
11.34112 
1 1 1 18  19  6  o 44.34531 8.397857  429.0237       160.8258 574.9332       
245.6503 319.5679       212.7624 50.41428 11.80227 38.27634 11.94999 12.13794 
16.79571 
1 1 1 18  19  7  o 52.11667 8.654784  618.5286       183.7003 594.1370       
289.2920 635.0093       237.7959 51.03048 13.35021 53.20287 11.01784 -2.172390 
17.30957 
1 1 1 18  19  8  o 132.7464 6.716314  3719.411       369.2363 3385.499       
477.0173 4218.524       583.1995 125.6010 9.046116 139.8919 9.929918 -14.29089 
13.43263 
1 1 1 18  19  9  o 130.6060 6.903947  3685.047       377.0811 3842.753       
518.5330 3508.042       549.3463 133.7554 9.233922 127.4566 10.26609 6.298836 
13.80789 
1 1 1 18  19  10 o 126.5347 6.362327  3400.017       335.5114 3160.597       
443.1321 3721.635       513.5978 121.4603 8.690008 131.6091 9.295191 -10.14885 
12.72465 
1 1 1 18  19  11 o 105.2365 5.888928  2371.398       259.5376 2329.364       
378.6237 2408.655       356.4612 104.2791 8.648314 106.1939 7.995284 -1.914742 
11.77786 
1 1 1 18  19  12 o 46.69312 11.63719  492.9082       227.5753 0.000000       
0.000000 492.9082       227.5753 ?        ?        46.69312 11.63719 ? ? 
1 1 1 18  19  13 o 26.13858 7.902274  -5.545250      155.5105 -67.64536      
216.7553 60.32509       223.2382 24.09644 10.69410 28.18072 11.63701 -4.084280 
15.80455 
1 1 1 18  19  14 o 95.34839 5.352029  1932.204       213.8438 1805.483       
292.2520 2078.237       313.7307 91.99653 7.566710 98.70025 7.571115 -6.703720 
10.70406 
1 1 1 18  19  15 o 76.25356 4.698050  1217.747       149.2676 1065.253       
197.6548 1420.151       227.7150 70.78022 6.651452 81.72689 6.636631 -10.94667 
9.396099 
1 1 1 18  19  16 o 52.56709 6.156761  599.6017       128.6106 590.8956       
163.0014 613.9608       209.3361 52.61903 7.378528 52.51514 9.857999 0.1038857 
12.31352 
1 1 1 18  19  17 o 76.30116 4.636312  1207.644       144.2938 1114.598       
180.7897 1370.933       239.4980 72.45020 5.943677 80.15211 7.117179 -7.701912 
9.272623 
1 1 1 18  19  18 o 137.8141 4.785631  4035.587       276.1432 3833.420       
374.0935 4277.636       409.3322 134.0772 6.645783 141.5509 6.887860 -7.473694 
9.571262 
1 1 1 18  19  19 o 46.42955 6.183570  430.0094       103.9083 575.3021       
212.7864 384.5144       119.0704 50.43387 10.40467 42.42523 6.684986 8.008640 
12.36714 
1 1 1 18  19  20 o 28.39086 6.939205  8.820452       110.9092 379.8361       
209.5867 -135.4863      130.7106 40.75227 11.65754 16.02944 7.530734 24.72284 
13.87841 
1 1 1 18  19  21 o 18.26654 6.036082  -100.9711      100.4185 -229.6038      
210.9206 -63.26820      114.1906 19.95414 9.434212 16.57893 7.532119 3.375208 
12.07216 
1 1 1 18  19  22 o 85.18311 5.133898  1499.843       161.6525 1712.926       
323.8704 1429.146       186.5518 88.51210 8.715446 81.85412 5.428501 6.657982 
10.26780 
1 1 1 18  19  23 o 79.62688 4.632614  1359.285       141.5666 1380.871       
259.7433 1350.162       168.8492 79.66674 7.765840 79.58703 5.053333 
0.7971191E-01  9.265227 
1 1 1 18  19  24 o 57.79111 5.431797  619.2282       119.3629 1023.057       
239.8320 486.2653       137.6175 68.21313 8.374527 47.36908 6.919897 20.84404 
10.86359 
1 1 1 18  19  25 o 70.99514 5.274222  951.6080       142.8896 1508.209       
284.6437 764.0913       165.2150 82.65279 8.202859 59.33749 6.631952 23.31529 
10.54844 
1 1 1 18  19  26 o 59.36557 6.389260  793.6868       136.8088 821.1967       
263.2910 783.5120       160.1221 58.70918 11.08668 60.02196 6.354218 -1.312782 
12.77852 
1 1 1 18  19  27 o 23.28125 7.109293  24.17727       122.3513 -102.9526      
235.5660 71.14278       143.1786 23.27311 10.64813 23.28939 9.422611 
-0.1628113E-01 14.21859 
1 1 1 18  19  28 o 44.10814 6.865488  435.8530       103.9686 511.3738       
234.5923 417.3938       115.9809 44.66893 12.17771 43.54735 6.343749 1.121582 
13.73098 
1 1 1 18  19  29 o 20.58320 6.626922  -30.35259      110.5795 -141.8040      
236.4040 0.8622157      125.1101 22.05323 10.31357 19.11317 8.324347 2.940058 
13.25384 
1 1 1 18  19  30 o 25.69034 7.494288  67.37267       107.7252 233.1187       
241.4455 26.17783       120.3702 31.75440 12.45016 19.62628 8.345710 12.12812 
14.98858 
1 1 1 18  19  31 o 20.03040 6.448312  -30.08241      112.1783 -243.8395      
240.7937 29.16995       126.7762 20.08431 9.671113 19.97649 8.531852 0.1078167 
12.89662 
1 1 1 18  19  32 o 34.47849 7.235913  342.0756       112.3992 183.6967       
248.0238 383.0085       126.0901 29.18112 12.17096 39.77587 7.829529 -10.59475 
14.47183 
1 1 1 18  19  33 o 50.54214 7.363082  655.4250       118.5633 719.7889       
283.6130 641.7946       130.5152 47.88982 13.51690 53.19447 5.844072 -5.304649 
14.72616 
1 1 1 18  19  34 o 34.17688 7.129570  350.8927       106.7429 222.1317       
250.2597 379.5271       118.0166 29.04032 12.17566 39.31345 7.421350 -10.27312 
14.25914 
1 1 1 18  19  35 o 25.21703 6.877207  169.9790       108.8900 -60.68604      
255.4124 221.2171       120.3780 22.00872 10.39433 28.42534 9.007880 -6.416620 
13.75441 
1 1 1 18  19  36 o 26.79665 7.364252  216.4684       108.8035 212.8183       
256.7830 217.2672       120.1194 26.24518 11.64472 27.34813 9.018273 -1.102953 
14.72850 
1 1 1 18  20  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  20  1  o 49.51024 6.297267  539.3529       127.9564 559.5190       
178.2049 517.8908       183.8421 50.93974 8.332665 48.08075 9.443993 2.858994 
12.59453 
1 1 1 18  20  2  o 52.12984 6.882362  625.4111       143.7622 381.0489       
206.1011 856.9720       200.6301 41.01349 11.50552 63.24620 7.555839 -22.23271 
13.76472 
1 1 1 18  20  3  o 28.17017 7.886148  56.39213       146.3843 -74.48674      
196.7274 218.7536       219.1147 22.57269 10.09408 33.76766 12.11920 -11.19497 
15.77230 
1 1 1 18  20  4  o 64.25769 6.356116  857.5572       166.8997 1025.675       
277.2554 762.0148       209.0119 68.91444 9.582767 59.60095 8.352929 9.313484 
12.71223 
1 1 1 18  20  5  o 83.71539 5.709299  1426.959       176.7633 1658.101       
355.6215 1351.113       203.7102 87.64793 9.664235 79.78286 6.081689 7.865067 
11.41860 
1 1 1 18  20  6  o 71.53291 6.578883  1126.807       192.0291 964.4708       
294.7855 1246.474       253.0970 66.70467 10.52618 76.36115 7.894698 -9.656487 
13.15777 
1 1 1 18  20  7  o 39.42992 9.135455  322.6839       174.4998 413.9341       
266.1200 253.8554       231.1238 43.16858 13.34214 35.69127 12.48253 7.477318 
18.27091 
1 1 1 18  20  8  o 117.3336 6.287722  2950.954       309.4279 3140.581       
446.4486 2775.654       429.2521 120.9856 8.789394 113.6817 8.993795 7.303894 
12.57544 
1 1 1 18  20  9  o 108.2817 6.687623  2522.735       301.1506 2515.182       
399.3822 2532.690       458.4928 108.2782 8.785547 108.2852 10.08520 
-0.6980896E-02 13.37525 
1 1 1 18  20  10 o 147.1166 7.120772  4603.251       413.2980 4469.430       
501.8008 4885.496       728.7557 144.5151 8.270644 149.7181 11.59388 -5.203049 
14.24154 
1 1 1 18  20  11 o 106.6021 5.929678  2392.316       263.1274 2079.150       
347.0409 2815.789       403.5581 98.53407 8.389098 114.6701 8.382564 -16.13605 
11.85936 
1 1 1 18  20  12 o 107.7924 6.077801  2478.389       274.2780 2741.638       
403.7166 2252.727       373.7857 113.1055 8.501859 102.4793 8.687753 10.62617 
12.15560 
1 1 1 18  20  13 o 39.57183 8.513291  334.3464       160.2291 477.2052       
230.8410 201.5283       222.5810 45.87669 11.89009 33.26696 12.18730 12.60973 
17.02658 
1 1 1 18  20  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  20  15 o 44.28984 8.417352  447.2979       160.9415 384.2394       
234.7941 503.1845       221.0394 41.46847 12.47578 47.11122 11.30319 -5.642754 
16.83470 
1 1 1 18  20  16 o 53.33591 5.765814  598.6844       127.2933 544.1835       
164.1996 680.7736       201.5178 50.40795 7.758790 56.26388 8.531097 -5.855930 
11.53163 
1 1 1 18  20  17 o 26.47761 7.543550  77.02319       128.1880 67.45813       
171.2482 89.21314       193.3229 25.47045 10.30498 27.48478 11.01944 -2.014328 
15.08710 
1 1 1 18  20  18 o 91.83695 4.360537  1869.822       158.4445 1549.876       
259.1341 2060.855       200.2352 85.04546 7.257625 98.62844 4.835700 -13.58298 
8.721073 
1 1 1 18  20  19 o 75.06971 4.374365  1090.714       128.3699 1525.406       
241.2799 919.0869       151.6082 84.39970 6.809282 65.73972 5.493082 18.65997 
8.748730 
1 1 1 18  20  20 o 67.71716 4.758801  856.3349       123.8435 1330.980       
242.9111 689.6310       143.9580 78.61170 7.360060 56.82261 6.034421 21.78909 
9.517601 
1 1 1 18  20  21 o 67.12139 4.951044  974.8719       126.6960 958.6252       
233.0981 981.6842       150.9384 66.35951 8.366746 67.88327 5.296123 -1.523758 
9.902088 
1 1 1 18  20  22 o 49.66205 6.011374  459.0390       108.9063 747.9072       
231.0814 376.5571       123.4795 58.20532 9.456348 41.11878 7.424548 17.08654 
12.02275 
1 1 1 18  20  23 o 114.8148 4.724884  2823.067       208.5549 2903.830       
382.5770 2788.919       248.7681 115.3411 7.900522 114.2885 5.184579 1.052666 
9.449768 
1 1 1 18  20  24 o 100.7468 4.587212  2195.829       177.5944 2191.588       
323.4489 2197.659       212.4894 100.0753 7.698387 101.4182 4.990481 -1.342918 
9.174424 
1 1 1 18  20  25 o 76.54958 4.624433  1236.966       142.1657 1397.246       
244.7354 1155.336       174.6554 79.86911 7.298590 73.23005 5.680855 6.639061 
9.248866 
1 1 1 18  20  26 o 88.23621 4.417222  1600.322       143.5916 1897.624       
291.2500 1504.852       165.0443 92.66673 7.486231 83.80568 4.690813 8.861046 
8.834443 
1 1 1 18  20  27 o 55.09268 6.011363  653.0602       119.7073 789.9720       
239.0013 607.2120       138.3060 57.51371 10.26784 52.67166 6.254390 4.842045 
12.02273 
1 1 1 18  20  28 o 32.07157 7.799435  225.0278       112.4848 283.6804       
235.5279 207.6969       128.0294 34.45972 12.54527 29.68341 9.270432 4.776310 
15.59887 
1 1 1 18  20  29 o 24.76752 7.285117  86.24457       111.5253 53.05313       
234.4743 95.94904       126.7851 26.31734 11.42791 23.21770 9.038499 3.099630 
14.57023 
1 1 1 18  20  30 o 28.12370 7.726393  127.7648       111.9626 295.8266       
239.5826 80.80628       126.6422 33.93311 12.61104 22.31428 8.930296 11.61883 
15.45279 
1 1 1 18  20  31 o 28.87679 6.977290  218.8347       108.7802 -15.68025      
241.4913 278.5323       121.8415 24.19987 10.98355 33.55371 8.607671 -9.353838 
13.95458 
1 1 1 18  20  32 o 42.04659 7.415568  457.1430       114.6352 483.2559       
253.8321 450.4524       128.4844 39.96691 13.10962 44.12627 6.935443 -4.159367 
14.83114 
1 1 1 18  20  33 o 24.93284 7.033221  137.2027       104.6385 -5.718649      
249.3908 167.7389       115.2762 23.90826 10.94599 25.95742 8.834597 -2.049154 
14.06644 
1 1 1 18  20  34 o 26.23207 7.379776  160.9345       104.7937 156.0175       
253.4075 161.9488       115.0964 27.17008 11.84012 25.29406 8.812263 1.876022 
14.75955 
1 1 1 18  20  35 o 25.35579 6.590461  177.6469       107.8370 -172.6568      
256.7484 252.6801       118.8261 20.28029 9.811792 30.43127 8.801445 -10.15098 
13.18092 
1 1 1 18  20  36 o 42.48219 7.028218  666.9689       126.4958 354.0509       
285.7676 743.2239       141.0692 29.40041 12.68912 55.56397 6.047277 -26.16356 
14.05644 
1 1 1 18  21  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  21  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  21  2  o 63.37878 6.525405  858.9247       167.1085 929.8330       
281.2679 820.2401       207.7502 65.09328 10.29213 61.66428 8.024698 3.429001 
13.05081 
1 1 1 18  21  3  o 86.31666 5.863891  1603.509       211.9158 1647.936       
313.1439 1565.971       287.8410 87.34846 8.539053 85.28485 8.038996 2.063614 
11.72778 
1 1 1 18  21  4  o 101.4116 5.623562  2225.462       237.5184 1959.723       
341.8097 2473.592       330.2900 95.33665 8.539759 107.4866 7.319174 -12.14996 
11.24712 
1 1 1 18  21  5  o 62.83009 6.258480  852.2345       153.3262 848.9545       
272.1183 853.7601       185.5918 62.42559 10.38284 63.23460 6.990770 
-0.8090057     12.51696 
1 1 1 18  21  6  o 59.81626 7.318680  796.0156       175.3492 756.8885       
274.1773 823.0957       228.0959 57.80627 11.70607 61.82626 8.787504 -4.019989 
14.63736 
1 1 1 18  21  7  o 76.53465 6.504042  1263.057       208.9614 1290.933       
296.9033 1235.696       294.1482 77.38446 9.138655 75.68485 9.257172 1.699608 
13.00808 
1 1 1 18  21  8  o 74.40411 6.468273  1156.819       198.9857 961.0871       
257.0820 1449.321       314.2711 66.78543 9.168768 82.02279 9.126221 -15.23736 
12.93655 
1 1 1 18  21  9  o 87.76932 6.020399  1683.747       217.4626 1886.801       
292.9713 1434.605       324.5202 94.00323 7.423408 81.53540 9.480180 12.46783 
12.04080 
1 1 1 18  21  10 o 184.6430 8.807969  7423.474       636.0605 7286.098       
768.8170 7721.472       1132.333 183.4852 9.980289 185.8008 14.51603 -2.315582 
17.61594 
1 1 1 18  21  11 o 67.69688 6.335160  993.4246       178.4223 915.2580       
263.7908 1059.341       242.2392 65.09080 9.652975 70.30297 8.207137 -5.212173 
12.67032 
1 1 1 18  21  12 o 43.16320 9.127947  405.3769       176.9930 512.5225       
275.9652 330.5056       230.6879 47.37044 13.32153 38.95597 12.48257 8.414471 
18.25589 
1 1 1 18  21  13 o 83.58525 5.551977  1476.814       193.4969 1672.524       
295.3016 1329.561       256.1479 88.35237 7.961020 78.81813 7.740798 9.534241 
11.10395 
1 1 1 18  21  14 o 131.1507 6.211343  3650.137       335.8461 3430.815       
430.5638 3990.915       536.7001 126.4407 8.110948 135.8606 9.409340 -9.419868 
12.42269 
1 1 1 18  21  15 o 99.01225 5.512645  2092.895       228.4435 1985.395       
308.6108 2223.196       339.7678 96.25523 7.636737 101.7693 7.952188 -5.514046 
11.02529 
1 1 1 18  21  16 o 67.22582 10.56994  988.9088       298.3236 988.9088       
298.3236 0.000000       0.000000 67.22582 10.56994 ?        ?        ? ? 
1 1 1 18  21  17 f 81.14248 6.313873  1435.983       213.5898 1302.354       
310.1395 1556.544       294.5837 77.34482 9.550958 84.94014 8.260700 -7.595322 
12.62775 
1 1 1 18  21  18 o 95.81776 4.051493  1923.055       148.2311 2032.860       
277.4213 1879.180       175.3625 97.42700 6.782372 94.20851 4.433715 3.218491 
8.102986 
1 1 1 18  21  19 o 87.55478 4.379139  1641.293       149.5765 1631.675       
265.3906 1645.771       181.0762 87.07057 7.259975 88.03898 4.899001 
-0.9684067     8.758279 
1 1 1 18  21  20 o 26.51139 7.348867  98.94068       108.3335 124.4764       
209.2918 89.59489       126.6153 29.25446 11.55466 23.76832 9.083686 5.486141 
14.69773 
1 1 1 18  21  21 o 53.61620 5.941957  678.6300       108.1418 557.4980       
214.9250 719.6929       125.1362 49.10954 10.72054 58.12286 5.128107 -9.013317 
11.88391 
1 1 1 18  21  22 o 61.70145 5.845226  917.1008       125.7754 680.6824       
230.7106 1017.080       150.0311 54.36594 10.48201 69.03696 5.176315 -14.67102 
11.69045 
1 1 1 18  21  23 o 38.65948 7.192671  351.3937       111.7086 319.9505       
208.4011 364.0705       132.3247 37.22333 11.85793 40.09562 8.144175 -2.872295 
14.38534 
1 1 1 18  21  24 o 24.98560 7.198401  76.75875       109.5493 64.86230       
208.9403 81.26894       128.6503 26.73483 11.16209 23.23638 9.092620 3.498449 
14.39680 
1 1 1 18  21  25 o 37.11458 7.353806  351.0200       114.5975 207.6792       
240.3479 393.1943       130.3707 32.60960 12.49994 41.61955 7.750185 -9.009953 
14.70761 
1 1 1 18  21  26 o 65.61933 5.396285  922.2271       125.9474 1023.773       
264.0913 892.3317       143.2926 66.94032 9.396961 64.29835 5.308173 2.641968 
10.79257 
1 1 1 18  21  27 o 27.98001 7.673093  122.0499       111.6251 235.9595       
233.7577 88.40244       127.0462 32.82798 12.40166 23.13204 9.039035 9.695942 
15.34619 
1 1 1 18  21  28 o 58.22680 6.835623  825.8069       132.5913 766.3143       
276.5320 843.5675       151.0919 54.41801 12.37936 62.03558 5.801249 -7.617573 
13.67125 
1 1 1 18  21  29 o 30.10554 7.851684  185.1609       113.7219 279.8881       
241.8109 158.2598       128.8618 33.71982 12.64209 26.49127 9.315218 7.228552 
15.70337 
1 1 1 18  21  30 o 57.62323 6.326426  737.4274       112.8601 898.6831       
273.6428 704.3749       123.8877 58.61813 11.53000 56.62833 5.210936 1.989799 
12.65285 
1 1 1 18  21  31 f 43.33680 7.218989  479.4943       108.9136 482.2688       
250.7269 478.8490       120.9179 40.62133 13.01315 46.05226 6.254039 -5.430931 
14.43798 
1 1 1 18  21  32 o 33.44227 7.250570  314.4278       106.4345 204.0222       
247.7236 339.4226       117.8682 29.57149 12.23778 37.31305 7.779449 -7.741562 
14.50114 
1 1 1 18  21  33 o 36.35123 8.001628  292.4974       107.8935 581.5931       
265.8751 235.5042       118.0506 42.52065 13.37525 30.18180 8.786741 12.33885 
16.00326 
1 1 1 18  21  34 o 27.13834 7.646818  151.8008       101.2094 304.6465       
260.5404 124.6372       109.8352 31.27116 12.68650 23.00551 8.540962 8.265650 
15.29364 
1 1 1 18  21  35 o 21.43286 6.872771  41.49192       115.6223 20.90319       
254.0246 46.87192       129.8530 23.17758 10.78166 19.68814 8.526177 3.489439 
13.74554 
1 1 1 18  21  36 o 24.31724 6.867024  167.2855       123.3327 -167.6589      
271.9016 254.0509       138.3881 19.92296 9.742978 28.71152 9.679796 -8.788555 
13.73405 
1 1 1 18  22  0  o 46.91669 7.066046  562.1231       129.5189 323.9437       
228.9217 674.2615       157.0768 37.88560 12.44974 55.94778 6.687292 -18.06217 
14.13209 
1 1 1 18  22  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  22  2  o 33.71696 8.062972  238.5336       147.3345 45.76830       
240.0914 354.9737       186.6009 28.12220 11.86440 39.31172 10.92164 -11.18952 
16.12594 
1 1 1 18  22  3  o 36.40197 8.732537  287.7311       161.5575 191.1592       
261.1034 347.6398       205.6516 33.72396 13.00325 39.07998 11.65952 -5.356018 
17.46507 
1 1 1 18  22  4  o 67.33728 6.197581  989.2296       171.2791 958.2504       
269.6602 1010.180       221.7563 66.19948 9.702495 68.47509 7.713732 -2.275612 
12.39516 
1 1 1 18  22  5  o 126.2227 6.031129  3332.755       304.5952 3821.490       
530.2651 3092.078       372.1108 132.4359 9.536925 120.0094 7.385468 12.42647 
12.06226 
1 1 1 18  22  6  o 37.02140 8.173287  299.8683       147.7783 169.5108       
217.3765 411.8849       201.5049 31.56219 11.94871 42.48061 11.15521 -10.91842 
16.34657 
1 1 1 18  22  7  o 68.24253 6.429549  1001.290       182.2209 961.4771       
238.7885 1056.798       281.9562 66.75765 8.519878 69.72741 9.631618 -2.969757 
12.85910 
1 1 1 18  22  8  o 108.2364 6.066526  2464.797       266.1110 2302.764       
330.8215 2761.846       447.9263 103.6293 7.603829 112.8435 9.454774 -9.214226 
12.13305 
1 1 1 18  22  9  o 37.19458 8.941546  290.7221       162.8553 301.0262       
202.3620 271.7818       274.3593 37.00700 11.67431 37.38215 13.54679 
-0.3751526     17.88309 
1 1 1 18  22  10 o 109.3712 6.286751  2445.943       266.0290 2249.162       
314.3416 2942.619       499.3990 102.5266 7.302750 116.2158 10.23537 -13.68921 
12.57350 
1 1 1 18  22  11 o 43.78831 8.503866  427.5681       159.2768 375.4170       
206.6124 503.9571       250.0578 40.72676 11.55047 46.84987 12.48398 -6.123108 
17.00773 
1 1 1 18  22  12 o 44.39642 8.337703  442.0985       159.1443 350.6645       
214.4094 554.2707       237.4830 39.55611 11.92624 49.23674 11.65478 -9.680626 
16.67541 
1 1 1 18  22  13 o 85.03986 5.814010  1554.456       207.3627 1655.766       
299.1719 1460.782       287.6761 87.72810 8.122752 82.35163 8.320561 5.376465 
11.62802 
1 1 1 18  22  14 o 53.20641 8.162158  606.2185       175.3633 894.6151       
286.2401 432.9347       221.8781 62.91499 11.24212 43.49783 11.83630 19.41716 
16.32432 
1 1 1 18  22  15 o 27.92091 8.148409  69.18224       120.3261 122.7987       
297.8167 58.72258       131.5403 33.14208 13.52327 22.69975 9.094361 10.44233 
16.29682 
1 1 1 18  22  16 o 32.44771 8.556112  141.1146       127.1396 327.2863       
299.6253 100.2324       140.4069 39.77533 14.18217 25.12010 9.575706 14.65523 
17.11222 
1 1 1 18  22  17 o 87.68486 5.511395  1636.506       202.8921 0.000000       
0.000000 1636.506       202.8921 ?        ?        87.68486 5.511395 ? ? 
1 1 1 18  22  18 o 51.65126 14.60160  638.5951       330.7035 638.5951       
330.7035 0.000000       0.000000 51.65126 14.60160 ?        ?        ? ? 
1 1 1 18  22  19 o 58.86289 5.996225  792.9116       135.2308 666.3032       
222.1993 867.3952       170.4283 54.12581 10.15282 63.59998 6.382720 -9.474171 
11.99245 
1 1 1 18  22  20 o 85.01896 4.311617  1617.928       140.2297 1369.792       
245.8407 1737.601       170.7286 79.57181 7.358945 90.46611 4.495121 -10.89430 
8.623235 
1 1 1 18  22  21 o 77.20264 4.483207  1213.018       129.6694 1438.501       
256.5319 1135.636       150.2814 81.38847 7.507572 73.01682 4.902339 8.371643 
8.966413 
1 1 1 18  22  22 o 37.47105 7.245656  267.8046       110.3343 500.7742       
211.9735 181.2304       129.2190 46.13916 11.06833 28.80295 9.353626 17.33621 
14.49131 
1 1 1 18  22  23 o 74.22530 4.647047  1280.820       129.4723 972.4261       
225.4739 1432.532       158.1439 66.47835 8.078620 81.97225 4.595224 -15.49390 
9.294094 
1 1 1 18  22  24 o 34.53342 6.428364  292.4612       90.22374 186.9513       
187.6335 324.1941       102.9009 30.40751 11.18483 38.65934 6.339949 -8.251831 
12.85673 
1 1 1 18  22  25 o 37.44351 7.469045  323.3969       110.2755 347.8708       
227.0174 315.8387       126.1598 37.94858 12.39785 36.93845 8.333054 1.010132 
14.93809 
1 1 1 18  22  26 o 54.52502 5.937795  589.6151       117.8079 851.3706       
251.9157 516.3471       133.2797 60.56147 9.907863 48.48858 6.547050 12.07288 
11.87559 
1 1 1 18  22  27 o 36.41009 7.498577  225.7399       111.6787 584.4599       
237.7214 124.1489       126.5080 47.94907 11.85947 24.87110 9.179740 23.07798 
14.99715 
1 1 1 18  22  28 o 45.79409 6.335179  585.1044       105.8419 307.4750       
195.7669 699.7760       125.8156 34.94414 11.51295 56.64404 5.290556 -21.69990 
12.67036 
1 1 1 18  22  29 o 27.22687 6.775944  176.3095       106.9231 -122.7094      
239.6138 250.6545       119.4781 22.33876 10.42229 32.11497 8.661953 -9.776211 
13.55189 
1 1 1 18  22  30 o 22.79192 7.024983  42.24905       101.4807 58.59864       
239.6699 38.67752       112.0178 26.07051 11.43630 19.51332 8.161651 6.557192 
14.04997 
1 1 1 18  22  31 o 32.95502 7.650640  145.6911       99.35353 605.4539       
258.3555 65.89748       107.6304 45.52557 12.91754 20.38447 8.201600 25.14111 
15.30128 
1 1 1 18  22  32 o 50.08237 6.888771  582.2700       113.9575 764.4745       
262.8944 540.1128       126.4555 51.49429 12.30942 48.67044 6.188613 2.823841 
13.77754 
1 1 1 18  22  33 o 37.65922 6.655886  460.2108       107.8265 141.1828       
260.0746 526.4319       118.4900 27.29692 11.94413 48.02153 5.877152 -20.72461 
13.31177 
1 1 1 18  22  34 f 37.51480 6.868609  462.1767       122.6369 161.0287       
258.0797 550.0112       139.3787 27.05231 11.86719 47.97730 6.919609 -20.92499 
13.73722 
1 1 1 18  22  35 o 22.79929 6.902038  96.08082       102.8135 158.9778       
213.4712 77.08447       117.3166 25.31137 10.94626 20.28720 8.410220 5.024168 
13.80408 
1 1 1 18  22  36 o 19.96596 6.466867  25.77362       121.1642 -200.1301      
260.8211 87.94102       136.8240 19.14258 9.412276 20.78933 8.870768 -1.646744 
12.93373 
1 1 1 18  23  0  o 44.34681 6.110049  355.6325       90.15279 627.4344       
215.4255 297.9250       99.26287 52.11206 10.21052 36.58157 6.713869 15.53049 
12.22010 
1 1 1 18  23  1  o 50.47401 6.592674  574.8878       126.9511 567.8859       
224.4254 578.1827       153.9491 49.27649 11.11272 51.67152 7.096543 -2.395031 
13.18535 
1 1 1 18  23  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  23  3  f 71.24339 6.593593  1107.407       196.0533 1035.379       
260.6537 1201.245       297.5100 68.69703 9.037473 73.78975 9.603435 -5.092720 
13.18719 
1 1 1 18  23  4  o 35.28222 7.513502  267.0194       130.0723 420.8664       
185.2755 117.4976       182.6526 42.76658 10.40379 27.79785 10.84306 14.96873 
15.02700 
1 1 1 18  23  5  o 85.03739 4.925409  1560.898       170.7033 1526.801       
274.8092 1582.321       217.8240 84.02735 7.789895 86.04743 6.029606 -2.020081 
9.850818 
1 1 1 18  23  6  o 66.43238 6.065105  981.6193       159.1494 692.7977       
221.8493 1287.851       228.4379 55.43834 9.887183 77.42642 7.027488 -21.98808 
12.13021 
1 1 1 18  23  7  o 54.51916 7.430588  668.1730       163.1704 604.2112       
218.6918 748.4955       245.0700 51.55268 10.46860 57.48563 10.54812 -5.932953 
14.86118 
1 1 1 18  23  8  o 86.63334 6.174715  1573.081       219.4697 1383.110       
276.8165 1894.592       360.1191 79.98433 8.243433 93.28235 9.195338 -13.29802 
12.34943 
1 1 1 18  23  9  o 32.69215 8.916550  168.7784       170.3721 136.6897       
219.7248 217.1582       269.7961 30.32529 11.87958 35.05901 13.30019 -4.733721 
17.83310 
1 1 1 18  23  10 o 85.08011 6.393265  1537.663       224.1826 1401.323       
286.1959 1754.159       360.6425 80.48325 8.469913 89.67696 9.578932 -9.193718 
12.78653 
1 1 1 18  23  11 o 80.13175 5.699345  1383.942       191.4374 1363.862       
262.6933 1406.682       279.5598 79.56425 7.864156 80.69926 8.251373 -1.135010 
11.39869 
1 1 1 18  23  12 o 28.94226 8.381405  82.56173       161.7932 100.9190       
240.1676 67.30817       218.9251 29.98252 12.17414 27.90201 11.52311 2.080519 
16.76281 
1 1 1 18  23  13 o 174.2884 7.663166  6565.247       415.0966 6909.861       
1024.567 6497.573       454.0280 174.1024 14.01705 174.4745 6.198290 
-0.3720856     15.32633 
1 1 1 18  23  14 o 27.69950 7.809597  112.2139       115.5583 11.06257       
280.5261 132.8861       126.8181 29.23922 12.59531 26.15977 9.236749 3.079447 
15.61919 
1 1 1 18  23  15 o 36.42883 7.799754  318.9727       120.7949 136.1889       
283.2737 359.5967       133.5455 32.78370 13.25787 40.07396 8.220315 -7.290257 
15.59951 
1 1 1 18  23  16 o 105.6989 5.648145  2243.903       201.3311 2726.398       
465.7843 2133.046       223.2651 111.2846 9.969441 100.1132 5.311910 11.17145 
11.29629 
1 1 1 18  23  17 f 119.2928 5.368012  3087.395       244.1608 3047.469       
449.3264 3104.123       290.8481 118.0065 9.069366 120.5791 5.745333 -2.572601 
10.73602 
1 1 1 18  23  18 o 47.61992 7.156675  622.7449       129.0505 267.0763       
251.1330 750.3647       150.4320 36.04166 12.97059 59.19817 6.052752 -23.15652 
14.31335 
1 1 1 18  23  19 o 51.68005 10.56266  615.0611       221.2612 0.000000       
0.000000 615.0611       221.2612 ?        ?        51.68005 10.56266 ? ? 
1 1 1 18  23  20 o 76.38308 5.106286  1270.801       145.1743 1249.019       
277.2896 1279.026       170.3930 75.36481 8.763670 77.40134 5.243538 -2.036530 
10.21257 
1 1 1 18  23  21 o 49.91026 6.427435  601.0794       116.1836 469.3977       
213.8499 656.2252       138.3893 44.56224 11.38701 55.25828 5.965215 -10.69604 
12.85487 
1 1 1 18  23  22 o 67.65193 4.617512  1074.290       114.0421 804.4898       
206.7572 1192.265       136.7207 60.45662 8.145877 74.84724 4.350903 -14.39061 
9.235023 
1 1 1 18  23  23 o 23.00499 6.607639  57.36605       90.25028 93.87724       
174.3019 43.99191       105.4926 26.04458 10.45446 19.96540 8.083805 6.079178 
13.21528 
1 1 1 18  23  24 o 51.04099 5.349987  589.1836       96.35046 567.2205       
188.3323 596.9700       112.1365 49.36785 9.424229 52.71412 5.066886 -3.346272 
10.69997 
1 1 1 18  23  25 o 70.83987 4.504317  1019.915       120.6580 1283.023       
237.4356 928.3162       140.0954 76.04627 7.436850 65.63346 5.084166 10.41281 
9.008634 
1 1 1 18  23  26 o 38.99226 7.178569  386.5329       112.7272 281.5547       
233.4149 418.4659       128.7355 34.58063 12.49872 43.40388 7.064656 -8.823246 
14.35714 
1 1 1 18  23  27 o 35.36558 7.396639  319.1154       111.1826 239.6831       
232.6547 342.6248       126.5709 32.56904 12.35221 38.16212 8.140261 -5.593086 
14.79328 
1 1 1 18  23  28 o 21.07896 6.667822  2.438362       98.50633 -32.23265      
228.6066 10.34367       109.1604 23.85846 10.76618 18.29946 7.869480 5.559008 
13.33564 
1 1 1 18  23  29 o 29.68994 7.422389  208.4706       102.6768 170.3854       
239.8608 217.0151       113.6124 29.50275 12.10355 29.87713 8.594848 
-0.3743744     14.84478 
1 1 1 18  23  30 o 51.95210 6.642217  697.0109       101.8491 611.3090       
248.4981 714.3140       111.6584 46.71228 12.44392 57.19192 4.650267 -10.47964 
13.28443 
1 1 1 18  23  31 o 35.65108 7.001615  364.3609       106.9728 191.4060       
252.5057 402.1917       118.0939 29.46231 12.28384 41.83985 6.722929 -12.37754 
14.00323 
1 1 1 18  23  32 o 17.78063 5.947506  -71.51110      100.7694 -317.8217      
245.0067 -21.36145      110.5529 18.81235 9.211210 16.74891 7.526283 2.063437 
11.89501 
1 1 1 18  23  33 o 23.94600 7.207883  100.6570       112.0770 75.02492       
247.0445 107.2997       125.7640 25.23597 11.29760 22.65602 8.954249 2.579954 
14.41577 
1 1 1 18  23  34 o 19.09253 6.365610  -53.10180      116.9106 -160.3675      
249.5809 -22.94874      132.3264 20.44036 9.843401 17.74469 8.074119 2.695667 
12.73122 
1 1 1 18  23  35 o 27.89640 7.523988  245.7966       121.1260 175.8641       
258.1259 265.5438       137.1655 25.86317 11.56406 29.92964 9.628814 -4.066477 
15.04798 
1 1 1 18  23  36 o 17.30723 5.960797  -108.6854      119.6711 -231.8447      
263.5027 -76.68200      134.3226 18.80799 9.267356 15.80647 7.499369 3.001515 
11.92159 
1 1 1 18  24  0  o 63.73648 3.503209  870.9770       92.91533 860.0117       
140.4981 879.5005       123.8711 63.29292 5.287331 64.18004 4.597174 
-0.8871193     7.006417 
1 1 1 18  24  1  o 25.57305 7.121046  83.94228       108.7875 158.7505       
182.9883 43.04933       135.2923 29.19173 10.98699 21.95436 9.062186 7.237375 
14.24209 
1 1 1 18  24  2  o 68.89456 5.618804  1053.941       157.5077 760.2429       
220.8530 1357.949       224.6956 58.58644 8.978985 79.20267 6.757341 -20.61623 
11.23761 
1 1 1 18  24  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  24  4  o 27.59408 7.709670  85.58186       138.6019 -28.49487      
194.8322 202.4658       197.2149 23.38054 10.28339 31.80762 11.48947 -8.427078 
15.41934 
1 1 1 18  24  5  o 86.11630 4.927862  1603.107       177.6558 1470.242       
251.6500 1735.117       250.8385 82.44938 7.269936 89.78323 6.654572 -7.333855 
9.855723 
1 1 1 18  24  6  o 66.35213 5.702802  961.3906       156.5731 931.4349       
240.3438 983.4769       206.3736 65.23885 8.775010 67.46542 7.286082 -2.226570 
11.40560 
1 1 1 18  24  7  o 127.1864 5.978252  3516.889       317.1930 3451.221       
423.7713 3600.553       478.3239 126.0813 8.005746 128.2916 8.880655 -2.210228 
11.95650 
1 1 1 18  24  8  o 106.1642 6.197324  2410.221       259.2028 2318.295       
313.7996 2607.643       459.8649 103.7015 7.207561 108.6268 10.08357 -4.925301 
12.39465 
1 1 1 18  24  9  o 60.78330 7.297747  798.7763       179.1734 644.6461       
230.4894 1034.148       284.8293 53.06347 10.72130 68.50314 9.903648 -15.43967 
14.59549 
1 1 1 18  24  10 o 48.85155 7.086318  621.5248       117.7910 380.0440       
251.4192 689.4351       133.3290 40.83753 13.02594 56.86558 5.584655 -16.02805 
14.17264 
1 1 1 18  24  11 o 68.16855 6.020394  966.1259       139.0697 1089.421       
313.9635 936.0299       155.1170 70.07377 10.67197 66.26332 5.575802 3.810448 
12.04079 
1 1 1 18  24  12 o 47.44164 7.357796  489.6620       122.0384 537.5381       
267.0234 477.0215       137.2066 47.77905 12.97738 47.10424 6.938029 0.6748009 
14.71559 
1 1 1 18  24  13 o 75.68854 6.034848  1382.676       152.7941 1010.271       
310.9092 1501.257       175.4419 67.33577 10.99788 84.04130 4.972351 -16.70553 
12.06970 
1 1 1 18  24  14 o 131.8365 5.676437  3784.983       267.7948 3739.453       
543.0182 3799.615       307.8318 130.1758 9.935858 133.4972 5.492403 -3.321442 
11.35287 
1 1 1 18  24  15 o 154.3204 5.222579  5163.641       325.1927 5073.002       
536.6927 5216.223       408.7770 152.6210 8.375917 156.0199 6.240620 -3.398804 
10.44516 
1 1 1 18  24  16 f 106.9924 4.740530  2503.611       198.7039 2342.472       
343.7766 2584.454       243.4993 103.8674 7.883481 110.1174 5.266994 -6.249969 
9.481060 
1 1 1 18  24  17 o 30.45240 7.621717  183.9755       112.9296 187.1613       
215.9594 182.7765       132.4871 31.82290 11.94400 29.08190 9.471172 2.741001 
15.24343 
1 1 1 18  24  18 o 64.36484 6.298609  1014.539       134.6201 748.0623       
263.6101 1108.552       156.5766 56.64078 11.48588 72.08889 5.173442 -15.44811 
12.59722 
1 1 1 18  24  19 o 69.97124 5.201574  1095.215       132.1994 995.8229       
256.3575 1131.222       154.2982 67.12376 9.096847 72.81871 5.047065 -5.694954 
10.40315 
1 1 1 18  24  20 o 64.87239 5.918104  998.3791       134.7882 797.1779       
250.6206 1080.260       159.8795 58.70363 10.55277 71.04115 5.360483 -12.33752 
11.83621 
1 1 1 18  24  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  24  22 o 110.8454 5.414906  2812.241       217.3666 2465.300       
417.6807 2941.103       254.5531 104.5928 9.511817 117.0980 5.177854 -12.50518 
10.82981 
1 1 1 18  24  23 o 30.90787 6.983926  195.0300       92.62476 283.9907       
181.7986 163.8416       107.6436 34.77637 11.07494 27.03937 8.511550 7.736998 
13.96785 
1 1 1 18  24  24 o 23.06970 6.617607  45.68042       89.91255 143.4700       
176.9795 11.65966       104.3876 27.86755 10.71373 18.27184 7.770902 9.595711 
13.23521 
1 1 1 18  24  25 o 55.46989 6.625846  872.4619       121.0429 436.8341       
229.9759 1039.380       142.3563 41.50161 12.31918 69.43818 4.883144 -27.93657 
13.25169 
1 1 1 18  24  26 o 18.29003 6.017519  -59.62160      94.86494 -273.5311      
227.8694 -14.77495      104.3364 19.51710 9.400435 17.06296 7.514915 2.454134 
12.03504 
1 1 1 18  24  27 o 25.52746 7.289139  34.83419       99.88477 278.7777       
230.8483 -21.35593      110.7929 33.80688 12.40899 17.24803 7.651349 16.55886 
14.57828 
1 1 1 18  24  28 o 62.88621 4.543547  836.5994       105.8450 991.1592       
212.1099 785.3507       122.1387 65.71104 7.688538 60.06137 4.843722 5.649662 
9.087093 
1 1 1 18  24  29 o 29.76020 7.386670  205.0338       96.69667 209.6428       
238.2177 204.1245       105.8055 30.52814 12.23529 28.99226 8.279454 1.535875 
14.77334 
1 1 1 18  24  30 o 42.67465 7.331910  386.2224       108.1339 673.8649       
251.6278 321.0703       119.7557 49.06503 12.24181 36.28426 8.072523 12.78077 
14.66382 
1 1 1 18  24  31 o 27.73356 7.253556  193.7972       108.5250 69.30356       
244.1435 224.4536       121.1525 25.76859 11.40382 29.69853 8.967118 -3.929939 
14.50711 
1 1 1 18  24  32 o 50.66555 6.916191  644.5670       114.4862 712.2292       
258.6944 628.0876       127.6690 48.73580 12.56607 52.59529 5.781756 -3.859493 
13.83238 
1 1 1 18  24  33 o 25.96036 6.562431  157.9919       119.4781 -317.7014      
250.6665 297.8336       135.9099 18.71146 9.208973 33.20926 9.351834 -14.49779 
13.12486 
1 1 1 18  24  34 o 20.50330 6.676898  4.024390       117.7513 -54.09965      
251.9406 20.26974       133.1940 21.97944 10.36358 19.02715 8.421402 2.952290 
13.35380 
1 1 1 18  24  35 o 18.91585 6.266899  -29.40651      120.9498 -271.1557      
263.3291 35.23053       136.1624 18.68915 9.222061 19.14255 8.488208 
-0.4533978     12.53380 
1 1 1 18  24  36 o 28.36431 8.105942  295.1357       146.7365 293.7309       
270.4411 295.7218       174.6858 27.47985 12.10079 29.24877 10.78870 -1.768927 
16.21188 
1 1 1 18  25  0  o 20.62279 5.599412  29.52766       72.48404 149.6433       
117.0070 -45.27417      92.33534 26.26603 8.900670 14.97954 6.796449 11.28649 
11.19882 
1 1 1 18  25  1  o 33.98019 5.814504  275.5894       81.22333 219.3955       
132.5410 309.3841       102.7850 30.87156 9.390722 37.08881 6.859168 -6.217257 
11.62901 
1 1 1 18  25  2  o 51.25208 6.363574  629.8862       127.6602 352.7538       
183.5189 889.7211       177.6994 38.53615 10.87194 63.96799 6.616742 -25.43184 
12.72715 
1 1 1 18  25  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  25  4  o 66.30199 5.298127  941.4504       145.8277 842.9133       
189.6833 1083.863       228.0360 62.21662 7.261792 70.38736 7.716670 -8.170738 
10.59625 
1 1 1 18  25  5  o 27.76937 7.398960  131.9539       123.7060 -3.989127      
204.6890 210.1793       155.2708 24.55382 10.67001 30.98493 10.25326 -6.431118 
14.79792 
1 1 1 18  25  6  o 58.41313 7.270068  824.1265       161.3335 625.4628       
268.0387 936.9886       202.0283 51.13030 12.56038 65.69596 7.324780 -14.56566 
14.54014 
1 1 1 18  25  7  o 58.02516 6.834431  738.6707       121.6966 790.1443       
295.0809 728.1212       133.5865 57.68713 12.53455 58.36320 5.451857 
-0.6760712     13.66886 
1 1 1 18  25  8  o 50.09687 7.229074  618.3632       121.5776 479.2217       
265.2232 655.3787       136.7965 44.88831 13.20333 55.30543 5.891534 -10.41712 
14.45815 
1 1 1 18  25  9  o 86.35004 5.030454  1317.061       144.4111 2146.326       
360.5460 1158.603       157.6055 98.96396 8.677700 73.73611 5.091107 25.22784 
10.06091 
1 1 1 18  25  10 o 40.23719 8.120134  312.4691       117.0224 499.5161       
281.5817 273.4189       128.6594 45.80936 13.63834 34.66502 8.817143 11.14434 
16.24027 
1 1 1 18  25  11 f 100.9758 5.417931  2244.974       182.2852 2154.261       
404.2138 2268.132       204.2313 98.65710 9.758966 103.2946 4.709402 -4.637489 
10.83586 
1 1 1 18  25  12 o 63.03788 5.428454  842.1227       124.8213 903.9210       
251.3348 821.8902       143.8099 64.04144 9.347867 62.03433 5.521762 2.007103 
10.85691 
1 1 1 18  25  13 o 26.36409 7.458607  86.61218       109.1239 123.9677       
225.9408 75.24741       124.6227 29.83583 11.93329 22.89236 8.950969 6.943466 
14.91721 
1 1 1 18  25  14 o 61.41268 4.868148  794.8317       112.0180 856.4445       
216.8382 772.4034       130.8271 62.63734 8.245625 60.18801 5.177367 2.449333 
9.736296 
1 1 1 18  25  15 o 99.25830 4.500606  2069.944       166.8421 2226.818       
324.6491 2013.642       194.4907 101.2358 7.638380 97.28082 4.762035 3.954964 
9.001212 
1 1 1 18  25  16 o 32.97430 8.016156  221.6214       123.3908 261.1619       
237.7001 207.0363       144.3654 35.27963 12.62661 30.66898 9.879461 4.610649 
16.03231 
1 1 1 18  25  17 o 132.2757 5.778627  3930.606       301.3661 3506.833       
506.3766 4163.026       375.0106 125.5665 9.605520 138.9850 6.426829 -13.41845 
11.55725 
1 1 1 18  25  18 o 98.93176 4.482162  2144.698       162.1667 2037.666       
315.5956 2183.097       189.0310 96.56030 7.784908 101.3032 4.444581 -4.742912 
8.964323 
1 1 1 18  25  19 o 61.34214 6.206950  821.2592       128.7552 883.6795       
274.7803 803.6984       145.7456 61.51263 11.04080 61.17166 5.675006 0.3409729 
12.41390 
1 1 1 18  25  20 o 27.67247 7.387460  69.80581       112.6142 293.0013       
215.0530 -14.52258      132.1873 35.83622 12.06673 19.50871 8.525972 16.32751 
14.77492 
1 1 1 18  25  21 o 51.09985 6.515460  595.1519       119.4751 596.6758       
233.2703 594.6099       139.1055 49.84594 11.39087 52.35377 6.328743 -2.507835 
13.03092 
1 1 1 18  25  22 o 42.18665 7.627648  387.6146       124.2183 538.2499       
240.2725 332.6668       145.1162 46.71498 12.14141 37.65831 9.236360 9.056675 
15.25530 
1 1 1 18  25  23 o 50.39289 11.81682  627.1937       245.9361 627.1937       
245.9361 0.000000       0.000000 50.39289 11.81682 ?        ?        ? ? 
1 1 1 18  25  24 o 31.71559 6.736230  259.0587       117.0016 -102.0992      
236.4610 376.1479       134.6385 23.22433 10.64355 40.20684 8.259659 -16.98251 
13.47246 
1 1 1 18  25  25 o 66.07930 5.429347  1002.188       122.2116 944.8983       
259.5111 1018.515       138.5351 63.47518 9.738072 68.68343 4.804286 -5.208244 
10.85869 
1 1 1 18  25  26 o 29.09594 7.459512  127.6661       98.41898 347.9987       
224.8918 75.47224       109.4571 36.78241 12.33967 21.40948 8.385090 15.37292 
14.91902 
1 1 1 18  25  27 o 22.44196 6.907632  -8.064654      96.56725 153.9846       
223.5456 -45.24163      107.0729 28.81714 11.73041 16.06677 7.297879 12.75037 
13.81526 
1 1 1 18  25  28 o 32.74905 7.436831  266.6714       102.8087 247.8038       
239.6950 270.9249       113.8089 32.01970 12.43540 33.47840 8.160068 -1.458706 
14.87366 
1 1 1 18  25  29 o 33.00571 7.800097  209.0877       102.7881 470.8452       
247.1044 154.3186       113.0312 40.39843 12.91650 25.61299 8.748148 14.78544 
15.60019 
1 1 1 18  25  30 f 45.60646 7.109828  540.3504       112.7529 526.4334       
247.0246 544.0129       126.7240 42.20289 12.81671 49.01003 6.158782 -6.807140 
14.21966 
1 1 1 18  25  31 o 52.36317 7.109517  793.3784       131.2825 547.1335       
251.4285 885.6782       153.9329 42.20258 12.95347 62.52375 5.864182 -20.32117 
14.21903 
1 1 1 18  25  32 o 40.62759 7.024856  431.3179       107.2360 481.4169       
215.5840 414.8465       123.6137 40.01364 11.93770 41.24154 7.408498 -1.227905 
14.04971 
1 1 1 18  25  33 o 34.69403 7.352253  385.8257       123.6543 197.6383       
259.1078 441.3253       140.7117 27.97633 12.07872 41.41172 8.386125 -13.43539 
14.70451 
1 1 1 18  25  34 o 21.74438 6.419796  56.84631       119.9952 -441.1331      
259.5551 192.2121       135.3251 17.26024 8.622938 26.22852 9.513151 -8.968287 
12.83959 
1 1 1 18  25  35 o 41.49069 8.083097  491.3333       126.3775 803.0136       
270.7759 404.5316       142.8958 45.62745 13.31535 37.35393 9.167721 8.273525 
16.16619 
1 1 1 18  26  0  o 30.00584 6.785679  218.8132       99.39665 113.3680       
178.5444 266.1697       119.6527 26.44129 10.59453 33.57039 8.481605 -7.129097 
13.57136 
1 1 1 18  26  1  o 35.62930 7.193942  311.0917       109.0683 265.9298       
200.8839 329.9698       129.8787 33.69341 11.65128 37.56519 8.441504 -3.871780 
14.38788 
1 1 1 18  26  2  f 16.22126 4.637789  18.38135       53.96731 -154.3411      
113.5082 68.82935       61.34438 13.89762 6.679313 18.54491 6.436079 -4.647289 
9.275578 
1 1 1 18  26  3  o 27.04726 7.177783  129.7046       89.87430 152.9939       
218.5236 124.9632       98.59944 29.86710 11.80354 24.22742 8.170603 5.639687 
14.35557 
1 1 1 18  26  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  26  5  o 23.61086 6.873593  32.66773       89.89220 150.6597       
204.0977 4.270426       100.1268 29.49877 11.47108 17.72295 7.576237 11.77582 
13.74719 
1 1 1 18  26  6  o 49.75903 7.239528  625.6444       106.4491 482.1798       
277.1371 650.4737       115.2933 44.36573 13.59597 55.15234 4.979217 -10.78660 
14.47906 
1 1 1 18  26  7  o 59.04379 5.400191  665.0126       116.2179 974.9517       
249.0944 578.7723       131.3956 66.25750 8.954679 51.83007 6.038376 14.42743 
10.80038 
1 1 1 18  26  8  o 111.1029 4.690935  2777.197       201.9363 2365.120       
346.0927 2989.899       248.6499 103.8899 7.934877 118.3159 5.005717 -14.42599 
9.381869 
1 1 1 18  26  9  o 141.8559 4.837956  4319.920       258.8134 4447.075       
490.0706 4270.739       304.7828 142.3365 8.200937 141.3753 5.134969 0.9611359 
9.675912 
1 1 1 18  26  10 o 67.28192 4.707953  935.2862       124.4483 1102.188       
226.0958 862.7424       149.0603 71.11412 7.572821 63.44971 5.595685 7.664406 
9.415907 
1 1 1 18  26  11 o 64.00814 4.861286  822.0069       118.8359 1048.170       
230.6506 740.2758       138.6557 69.24050 7.934423 58.77578 5.619016 10.46472 
9.722572 
1 1 1 18  26  12 o 69.24571 4.922074  1034.491       126.0613 1047.184       
245.0388 1029.922       147.0071 69.02462 8.455746 69.46681 5.040598 
-0.4421921     9.844149 
1 1 1 18  26  13 o 29.40734 7.245978  185.4267       112.2542 32.80812       
217.2103 241.0423       131.1218 26.31126 11.20035 32.50341 9.196137 -6.192156 
14.49196 
1 1 1 18  26  14 o 30.12199 7.354421  177.4526       103.4701 234.9723       
199.3324 156.2377       121.0568 33.15212 11.59250 27.09185 9.053397 6.060274 
14.70884 
1 1 1 18  26  15 o 59.28030 5.685395  733.4981       125.2768 852.8361       
249.3276 693.1942       144.8955 61.81143 9.607770 56.74916 6.081581 5.062267 
11.37079 
1 1 1 18  26  16 o 47.62270 6.617991  519.9548       121.8406 496.5712       
212.1498 531.4637       148.8339 45.82129 11.12400 49.42412 7.172720 -3.602833 
13.23598 
1 1 1 18  26  17 o 71.35172 5.386688  1152.059       143.2651 1025.516       
265.0078 1204.313       170.2952 67.76395 9.314960 74.93949 5.412686 -7.175545 
10.77338 
1 1 1 18  26  18 o 40.14745 7.126232  401.2850       116.2584 268.6709       
226.8061 448.5471       135.3993 34.94783 12.35123 45.34708 7.111943 -10.39925 
14.25246 
1 1 1 18  26  19 o 37.02711 7.520126  247.8474       111.7085 523.6713       
231.4100 164.0441       127.5547 46.48553 11.82564 27.56870 9.293197 18.91684 
15.04025 
1 1 1 18  26  20 o 103.9578 4.287416  2421.344       172.4368 2119.926       
298.8655 2571.757       211.1218 98.24283 7.245962 109.6727 4.585170 -11.42992 
8.574833 
1 1 1 18  26  21 o 103.0136 5.015102  2383.823       189.6088 2222.632       
363.6475 2444.008       222.2046 99.36845 8.716721 106.6588 4.962236 -7.290337 
10.03020 
1 1 1 18  26  22 o 70.83856 5.462375  1169.667       140.6611 1003.772       
266.2088 1233.923       165.6778 66.06818 9.597347 75.60895 5.219299 -9.540771 
10.92475 
1 1 1 18  26  23 o 72.79408 5.000934  1122.081       131.4801 1284.909       
271.8065 1072.342       150.2254 75.13810 8.616297 70.45007 5.079055 4.688026 
10.00187 
1 1 1 18  26  24 o 45.31159 6.998183  457.1400       133.1293 0.000000       
0.000000 457.1400       133.1293 ?        ?        45.31159 6.998183 ? ? 
1 1 1 18  26  25 o 25.42194 11.49609  -36.61011      262.0303 -36.61011      
262.0303 0.000000       0.000000 25.42194 11.49609 ?        ?        ? ? 
1 1 1 18  26  26 o 49.20299 7.912640  658.0889       149.5256 507.1934       
288.2281 713.6530       174.9020 42.37899 13.96963 56.02698 7.435644 -13.64799 
15.82528 
1 1 1 18  26  27 o 58.09046 5.565534  709.6492       109.4771 912.6809       
252.1253 662.4742       121.5320 61.25049 9.804554 54.93043 5.269857 6.320065 
11.13107 
1 1 1 18  26  28 o 34.40938 6.998196  332.5625       105.5574 168.2170       
233.1192 374.9491       118.3896 28.94312 11.91288 39.87563 7.347270 -10.93251 
13.99639 
1 1 1 18  26  29 o 44.89127 7.274634  475.0399       116.8125 639.9077       
247.4628 427.7710       132.5041 47.58833 12.29998 42.19421 7.771215 5.394119 
14.54927 
1 1 1 18  26  30 o 32.46627 7.101326  310.0142       117.9126 70.33395       
246.3976 381.2057       134.2872 25.82179 11.43815 39.11075 8.419261 -13.28896 
14.20265 
1 1 1 18  26  31 o 28.28004 7.598138  203.3483       115.8680 174.2584       
244.2159 211.7986       131.6259 28.06030 11.90827 28.49978 9.440337 
-0.4394760     15.19628 
1 1 1 18  26  32 o 34.32048 6.669428  372.1790       119.4806 43.42075       
251.1489 468.3512       135.8370 24.50693 11.14365 44.13403 7.331038 -19.62710 
13.33886 
1 1 1 18  26  33 o 19.62497 6.351209  -17.45988      118.0442 -318.1169      
257.9099 62.21379       132.7669 18.68686 9.203224 20.56307 8.755116 -1.876209 
12.70242 
1 1 1 18  26  34 o 20.11505 6.589117  17.44474       111.6424 -41.02872      
258.4804 30.85488       123.7841 21.66945 10.33294 18.56066 8.179009 3.108788 
13.17823 
1 1 1 18  26  35 f 20.37074 6.692486  29.23245       121.7594 -7.367278      
262.4423 39.27126       137.4472 21.66922 10.35159 19.07225 8.485404 2.596964 
13.38497 
1 1 1 18  27  0  o 21.21614 6.063622  -0.4406262     70.31480 189.6535       
163.1553 -43.80102      77.92261 28.94677 10.45092 13.48551 6.152104 15.46127 
12.12724 
1 1 1 18  27  1  o 27.55153 6.459688  164.1373       73.04168 169.2455       
178.3928 163.1085       80.06010 28.55531 10.82028 26.54775 7.059164 2.007559 
12.91938 
1 1 1 18  27  2  o 21.85647 6.145879  71.65969       71.30994 70.49405       
161.5830 71.94163       79.46730 24.02850 9.908756 19.68443 7.273505 4.344074 
12.29176 
1 1 1 18  27  3  o 28.66517 6.049886  196.1601       79.55619 135.8574       
133.0168 229.7449       99.26807 25.83823 9.425751 31.49212 7.586811 -5.653896 
12.09977 
1 1 1 18  27  4  o 35.07118 8.648211  288.4077       126.7027 0.000000       
0.000000 288.4077       126.7027 ?        ?        35.07118 8.648211 ? ? 
1 1 1 18  27  5  o 66.43816 4.162686  919.1401       101.9778 1040.896       
204.5664 878.8768       117.6370 68.76234 7.086058 64.11398 4.370310 4.648369 
8.325373 
1 1 1 18  27  6  o 50.29838 5.044748  497.8752       97.26035 707.5421       
190.3492 423.7953       113.1453 56.41156 8.037187 44.18520 6.099309 12.22636 
10.08950 
1 1 1 18  27  7  o 52.66125 5.119243  545.8748       103.5468 774.7976       
201.8348 464.1002       120.6315 59.07351 8.138125 46.24898 6.212690 12.82453 
10.23849 
1 1 1 18  27  8  o 103.0475 4.274736  2278.029       167.1875 2341.865       
313.2458 2252.601       197.7011 103.4015 7.215719 102.6935 4.585506 0.7079926 
8.549472 
1 1 1 18  27  9  f 49.20927 5.918902  531.5914       107.1462 576.5360       
203.4820 514.3488       126.0342 49.65968 10.11075 48.75887 6.156811 0.9008026 
11.83780 
1 1 1 18  27  10 o 43.37901 6.411124  384.9164       104.3551 573.5560       
200.3445 314.6794       122.2485 49.64309 9.963547 37.11494 8.070797 12.52814 
12.82225 
1 1 1 18  27  11 o 65.67342 4.834670  855.3348       118.4011 1127.386       
240.5378 768.3397       136.0210 71.52458 8.010307 59.82226 5.415820 11.70232 
9.669340 
1 1 1 18  27  12 f 27.46209 6.919695  31.45127       106.0018 348.8873       
200.9901 -90.86539      124.7640 38.39557 11.54110 16.52861 7.637522 21.86696 
13.83939 
1 1 1 18  27  13 o 45.74704 6.778423  546.3470       117.1426 319.5753       
216.6181 640.0746       139.2624 37.05172 12.11056 54.44236 6.092813 -17.39064 
13.55685 
1 1 1 18  27  14 o 60.57614 4.982396  742.7312       121.4116 1019.604       
212.2903 608.1512       148.0063 68.24033 7.409863 52.91195 6.662656 15.32837 
9.964791 
1 1 1 18  27  15 o 25.75696 7.006649  49.32780       104.6388 245.0577       
192.9383 -32.23366      124.5467 33.22075 11.42521 18.29317 8.114008 14.92758 
14.01330 
1 1 1 18  27  16 o 65.37521 6.229719  1042.438       135.8281 811.7688       
267.9640 1122.199       157.5712 58.43378 11.32707 72.31665 5.189907 -13.88287 
12.45944 
1 1 1 18  27  17 o 123.8307 4.853393  3430.795       232.2518 3121.147       
407.5499 3579.719       282.6366 118.5727 8.186856 129.0887 5.215082 -10.51607 
9.706786 
1 1 1 18  27  18 o 90.74731 4.444408  1749.694       153.6021 1888.852       
289.3904 1695.112       181.2392 92.57267 7.445990 88.92197 4.854719 3.650703 
8.888817 
1 1 1 18  27  19 o 74.38266 5.551695  1311.786       148.7912 1049.524       
279.2313 1415.782       175.8338 67.66404 9.829404 81.10128 5.164114 -13.43724 
11.10339 
1 1 1 18  27  20 f 80.14903 5.270375  1411.371       145.1362 1446.034       
312.7963 1401.861       163.8407 79.52977 9.368132 80.76830 4.831721 -1.238533 
10.54075 
1 1 1 18  27  21 o 34.43458 7.516566  285.8896       113.7696 251.9215       
218.5451 298.5169       133.2486 33.34007 12.08974 35.52909 8.934953 -2.189030 
15.03313 
1 1 1 18  27  22 o 59.74263 5.699087  797.1726       125.2759 825.3015       
245.0637 787.2214       145.7606 59.41683 9.824049 60.06842 5.779829 
-0.6515884     11.39817 
1 1 1 18  27  23 o 27.38428 7.651946  137.6812       112.4870 90.97348       
262.0230 148.2344       124.5481 28.69290 12.26052 26.07565 9.159077 2.617252 
15.30389 
1 1 1 18  27  24 o 41.23318 7.817335  430.6254       125.0337 415.2105       
262.5895 435.1451       142.1871 39.42296 13.33385 43.04340 8.164026 -3.620438 
15.63467 
1 1 1 18  27  25 o 23.01372 7.324671  -11.02766      133.5520 -29.41717      
259.7815 -4.421493      155.7033 25.23189 11.42647 20.79555 9.167276 4.436338 
14.64934 
1 1 1 18  27  26 o 29.85234 10.52622  215.3418       164.6472 0.000000       
0.000000 215.3418       164.6472 ?        ?        29.85234 10.52622 ? ? 
1 1 1 18  27  27 o 34.67072 8.372113  317.9977       162.4796 114.0231       
248.2926 470.7610       214.8747 27.77392 11.90355 41.56752 11.77602 -13.79360 
16.74423 
1 1 1 18  27  28 o 35.67733 8.399485  318.4885       146.0078 513.0013       
243.5757 209.3965       182.4132 42.09478 12.71556 29.25988 10.97816 12.83490 
16.79897 
1 1 1 18  27  29 o 25.71505 7.390329  120.4771       105.6850 181.7563       
235.2739 104.9865       118.2911 28.73415 11.91090 22.69596 8.752039 6.038198 
14.78066 
1 1 1 18  27  30 o 39.70511 7.036438  489.8459       126.9482 206.8068       
249.2925 588.9405       147.5065 29.26860 12.20440 50.14162 7.007027 -20.87302 
14.07288 
1 1 1 18  27  31 o 20.85935 6.755435  -7.724895      112.6016 12.83125       
241.5196 -13.43397      127.2812 23.74026 10.83051 17.97843 8.077349 5.761829 
13.51087 
1 1 1 18  27  32 o 21.80818 6.724379  58.79946       115.5818 -155.8342      
248.0941 118.2980       130.6233 20.57213 9.884125 23.04424 9.119932 -2.472111 
13.44876 
1 1 1 18  27  33 o 24.21670 7.024477  133.1901       102.1009 187.3091       
207.0131 115.7935       117.3694 26.25597 11.04402 22.17744 8.683480 4.078531 
14.04895 
1 1 1 18  27  34 o 38.74074 7.261415  511.7673       119.0749 408.2778       
271.1698 536.4894       132.5366 31.08493 12.83030 46.39655 6.804106 -15.31162 
14.52283 
1 1 1 18  28  0  o 85.31843 3.263713  1528.808       100.6877 1691.386       
206.7907 1478.288       115.2753 87.47354 5.630867 83.16331 3.301607 4.310226 
6.527425 
1 1 1 18  28  1  o 27.26747 6.299387  155.8243       69.49287 210.2509       
161.8542 143.5233       76.94619 29.71062 10.44057 24.82432 7.051489 4.886301 
12.59877 
1 1 1 18  28  2  o 33.21054 5.701891  180.8607       76.19617 494.7681       
156.6153 83.51786       87.21384 45.70529 8.479774 20.71579 7.624938 24.98950 
11.40378 
1 1 1 18  28  3  o 41.86561 5.254138  322.5113       80.41300 595.8792       
170.5942 244.4208       91.17788 51.16839 7.941153 32.56282 6.882004 18.60557 
10.50828 
1 1 1 18  28  4  o 46.22831 6.351681  411.5429       87.82752 653.4872       
240.0531 374.1513       94.37051 50.99226 11.48859 41.46435 5.421038 9.527908 
12.70336 
1 1 1 18  28  5  o 38.30384 6.836817  357.8851       109.7630 321.1941       
168.5338 384.9123       144.6464 36.24570 10.48156 40.36198 8.780960 -4.116276 
13.67363 
1 1 1 18  28  6  o 22.21667 6.436594  58.59459       95.31465 -35.10308      
173.4744 99.11310       114.0769 21.31490 9.506575 23.11844 8.680093 -1.803539 
12.87319 
1 1 1 18  28  7  o 42.77457 6.180904  473.7144       105.9407 247.2167       
171.6769 613.0101       134.6322 32.52590 10.78134 53.02325 6.047887 -20.49735 
12.36181 
1 1 1 18  28  8  o 20.60058 5.843791  -4.262016      97.63388 -408.4698      
189.7734 141.2376       113.8581 15.56012 7.714246 25.64104 8.780088 -10.08092 
11.68758 
1 1 1 18  28  9  o 26.40856 6.319266  125.0823       104.7703 -147.2804      
178.6146 267.9487       129.3625 19.01145 8.907463 33.80566 8.966024 -14.79421 
12.63853 
1 1 1 18  28  10 o 30.46708 7.042180  216.5520       107.1988 111.7198       
183.8121 270.5853       131.9645 26.95345 10.77051 33.98070 9.075535 -7.027246 
14.08436 
1 1 1 18  28  11 o 20.83278 6.173870  -2.917050      102.9439 -284.9826      
192.8290 109.5189       121.7446 17.47995 8.464963 24.18560 8.989499 -6.705656 
12.34774 
1 1 1 18  28  12 o 47.82128 5.787910  494.2133       108.2634 593.5190       
188.7331 445.5107       132.1715 50.58202 9.229721 45.06055 6.986547 5.521473 
11.57582 
1 1 1 18  28  13 o 66.99476 4.482912  969.1212       119.7810 1003.706       
205.3210 951.2779       147.4779 67.52645 7.242366 66.46307 5.285275 1.063385 
8.965824 
1 1 1 18  28  14 o 91.51814 4.487868  1889.632       159.7675 1630.736       
272.6833 2024.967       197.1521 85.87415 7.563400 97.16213 4.833095 -11.28798 
8.975736 
1 1 1 18  28  15 o 53.38671 5.930720  665.0795       121.3864 579.8818       
201.3316 713.7373       152.1508 49.54343 10.02965 57.22998 6.332451 -7.686546 
11.86144 
1 1 1 18  28  16 o 42.66203 6.806993  372.5945       112.8860 628.2777       
209.3900 267.8311       134.0323 51.56528 10.03001 33.75879 9.205410 17.80649 
13.61399 
1 1 1 18  28  17 o 70.84270 4.663010  1049.036       116.8207 1197.717       
249.1992 1007.159       132.2529 73.14513 8.114885 68.54026 4.596005 4.604874 
9.326019 
1 1 1 18  28  18 o 97.00472 4.335705  2011.237       158.0466 2150.945       
303.4792 1959.245       185.1336 98.46685 7.341079 95.54259 4.615399 2.924255 
8.671410 
1 1 1 18  28  19 o 42.62612 6.813611  469.4828       112.2828 322.3268       
213.2580 525.9225       132.0713 36.30826 12.01627 48.94399 6.427325 -12.63573 
13.62722 
1 1 1 18  28  20 o 44.85185 6.826424  501.0711       112.9571 417.5612       
220.7047 530.7092       131.4826 40.58088 12.07290 49.12282 6.375380 -8.541946 
13.65285 
1 1 1 18  28  21 o 19.29429 6.442544  -97.06830      108.3598 -161.4459      
246.1003 -81.58578      120.6885 22.37118 10.47695 16.21741 7.500598 6.153770 
12.88509 
1 1 1 18  28  22 o 25.76136 7.046079  121.7070       114.2463 -73.63617      
222.5325 191.6211       133.1302 22.84161 10.41395 28.68111 9.494130 -5.839504 
14.09216 
1 1 1 18  28  23 o 39.88552 7.192132  402.2131       112.1379 348.1651       
231.6700 418.7512       128.1511 36.62504 12.52425 43.14601 7.074614 -6.520969 
14.38426 
1 1 1 18  28  24 o 29.18784 8.081828  176.9227       137.8595 184.5586       
243.4256 173.3172       167.2690 30.29462 12.27407 28.08106 10.51718 2.213560 
16.16366 
1 1 1 18  28  25 o 31.29714 8.163654  229.5278       134.6846 277.3832       
238.4990 207.1207       163.1979 33.18280 12.52942 29.41148 10.46874 3.771318 
16.32731 
1 1 1 18  28  26 o 30.15126 7.904761  222.2580       131.5968 196.8080       
217.6077 236.9319       165.2352 29.61749 11.75541 30.68504 10.57125 -1.067551 
15.80952 
1 1 1 18  28  27 o 28.49717 7.757045  190.2823       134.4332 95.56676       
224.0331 243.5763       168.0508 26.22933 11.27650 30.76500 10.65493 -4.535666 
15.51409 
1 1 1 18  28  28 o 41.38956 10.47828  457.9029       182.3429 0.000000       
0.000000 457.9029       182.3429 ?        ?        41.38956 10.47828 ? ? 
1 1 1 18  28  29 o 57.28957 7.510944  876.1259       175.5243 736.0574       
246.3847 1020.468       250.1151 51.02664 11.73814 63.55250 9.374072 -12.52586 
15.02189 
1 1 1 18  28  30 o 18.76097 6.393503  -176.4296      143.7475 -219.4889      
241.8438 -152.9068      178.7498 19.76340 9.554961 17.75854 8.497660 2.004858 
12.78701 
1 1 1 18  28  31 o 23.53045 7.200565  87.35690       114.2909 100.2430       
245.8139 83.80291       129.0931 25.50318 11.34710 21.55773 8.867681 3.945446 
14.40113 
1 1 1 18  28  32 o 24.36611 7.044509  99.07025       100.5467 276.4085       
205.0319 42.91888       115.3720 29.76972 11.51359 18.96250 8.120204 10.80722 
14.08902 
1 1 1 18  28  33 o 24.53335 7.515128  77.76032       118.2143 381.6852       
258.6396 -2.497675      132.9095 31.17758 12.64359 17.88911 8.127011 13.28847 
15.03026 
1 1 1 18  28  34 o 25.52062 7.337922  204.9227       121.2859 136.2926       
260.9038 223.8424       136.9874 24.12848 11.10902 26.91277 9.590102 -2.784294 
14.67584 
1 1 1 18  29  0  o 21.24568 5.167353  81.19141       56.97728 164.6990       
94.33243 33.22776       71.49145 26.12963 7.917188 16.36173 6.642612 9.767902 
10.33471 
1 1 1 18  29  1  o 46.94697 4.250623  486.4575       72.12364 505.9277       
145.2445 480.0853       83.09191 46.82232 7.388697 47.07162 4.204561 
-0.2492981     8.501245 
1 1 1 18  29  2  o 36.06509 5.577991  360.2928       74.93011 193.9272       
152.1815 413.5320       86.08856 28.55758 10.11481 43.57260 4.706013 -15.01502 
11.15598 
1 1 1 18  29  3  o 30.81125 6.120806  186.4665       75.47418 353.9027       
151.2893 130.9889       87.08475 37.72815 9.540280 23.89435 7.670730 13.83380 
12.24161 
1 1 1 18  29  4  o 44.68640 5.770115  509.5180       79.49780 398.0906       
182.8785 535.4800       88.27459 39.52384 10.74178 49.84896 4.217943 -10.32512 
11.54023 
1 1 1 18  29  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  29  6  o 58.80420 4.685490  797.8326       95.63701 710.2777       
195.4891 825.3810       109.6552 55.63186 8.369894 61.97654 4.214278 -6.344677 
9.370980 
1 1 1 18  29  7  o 34.72776 6.944177  267.3606       97.42779 368.8425       
185.5680 228.7417       114.4745 38.39154 10.96511 31.06398 8.523650 7.327568 
13.88835 
1 1 1 18  29  8  o 29.53574 7.157100  182.1144       97.84724 254.5468       
188.3253 155.3314       114.5174 32.74888 11.28539 26.32260 8.805473 6.426283 
14.31420 
1 1 1 18  29  9  o 22.22881 6.607844  45.13713       102.6982 -70.65125      
195.3803 89.34135       120.7203 21.61506 9.828723 22.84255 8.834625 -1.227489 
13.21569 
1 1 1 18  29  10 o 23.75829 6.613838  93.90405       95.06187 10.26466       
179.2179 126.6490       112.1368 22.94316 9.977307 24.57342 8.684743 -1.630255 
13.22768 
1 1 1 18  29  11 o 28.54689 6.197146  195.8156       103.7035 -181.3499      
211.5196 315.1642       118.9853 20.25240 9.533622 36.84138 7.920134 -16.58899 
12.39429 
1 1 1 18  29  12 o 59.06299 5.116633  769.3271       113.2224 787.4224       
215.4471 762.4229       133.0808 58.79761 8.727747 59.32837 5.342862 
-0.5307655     10.23327 
1 1 1 18  29  13 o 36.52373 7.084469  260.5072       96.35808 466.9479       
211.5542 206.4683       108.2374 43.29732 11.45783 29.75014 8.335286 13.54718 
14.16894 
1 1 1 18  29  14 o 70.69244 4.384116  1102.386       121.0934 1069.376       
212.1645 1118.335       147.4731 69.34597 7.287398 72.03891 4.876035 -2.692940 
8.768232 
1 1 1 18  29  15 o 71.75938 4.588449  1022.405       123.1664 1389.404       
250.0235 904.8055       141.5308 78.85229 7.552446 64.66649 5.213060 14.18580 
9.176897 
1 1 1 18  29  16 o 30.26470 7.410395  68.86060       117.0323 463.6325       
234.3312 -62.33147      135.0861 42.59696 12.37275 17.93245 8.159102 24.66451 
14.82079 
1 1 1 18  29  17 o 25.73782 7.258004  21.57286       105.4536 282.6180       
225.0797 -51.84426      119.3651 34.46114 12.29152 17.01449 7.722246 17.44665 
14.51601 
1 1 1 18  29  18 o 29.73096 7.665807  163.2844       105.4953 281.3155       
232.5880 132.7127       118.3718 34.39874 12.47226 25.06318 8.916344 9.335560 
15.33161 
1 1 1 18  29  19 o 46.31013 6.537471  516.6946       107.3274 485.4676       
216.5470 526.8635       123.5731 43.64193 11.61204 48.97832 6.009538 -5.336391 
13.07494 
1 1 1 18  29  20 o 64.09495 5.340999  884.8133       122.1651 1015.768       
256.2861 846.3091       138.9693 65.86491 9.268127 62.32499 5.311018 3.539921 
10.68200 
1 1 1 18  29  21 o 27.92875 6.554860  187.1878       105.3158 -97.79383      
212.5430 279.9272       121.2469 21.67742 9.998300 34.18009 8.479315 -12.50267 
13.10972 
1 1 1 18  29  22 o 71.63153 5.216432  1070.465       132.6307 1357.310       
286.5748 992.2755       149.6192 75.91708 8.991240 67.34599 5.291717 8.571098 
10.43286 
1 1 1 18  29  23 o 33.14731 7.672326  270.0546       113.2978 281.2378       
228.3508 266.4026       130.4924 33.39930 12.33197 32.89532 9.131310 0.5039825 
15.34465 
1 1 1 18  29  24 o 41.52866 7.955983  474.8136       140.9373 384.1861       
250.7263 516.6775       170.4079 37.18910 13.00161 45.86823 9.173271 -8.679131 
15.91197 
1 1 1 18  29  25 o 36.56090 8.042763  365.6001       139.1888 296.0163       
215.6978 415.2494       182.2001 33.39844 12.02059 39.72336 10.68876 -6.324921 
16.08553 
1 1 1 18  29  26 o 31.45295 8.080298  252.8509       134.3255 286.2479       
222.8702 233.7982       168.3357 32.67286 12.15914 30.23305 10.64519 2.439804 
16.16060 
1 1 1 18  29  27 o 29.25710 8.031437  210.3812       138.8622 212.6093       
225.3296 209.0170       176.3239 29.61749 11.88748 28.89670 10.80295 0.7207909 
16.06287 
1 1 1 18  29  28 o 21.35747 6.945157  -41.39344      138.3283 -27.15607      
230.8179 -49.37266      172.7965 22.92055 10.50912 19.79439 9.082908 3.126163 
13.89031 
1 1 1 18  29  29 o 21.73400 6.920402  -12.01682      139.6877 -204.1847      
234.6204 93.50735       173.8606 19.69842 9.500242 23.76959 10.06545 -4.071167 
13.84080 
1 1 1 18  29  30 f 31.55790 13.63535  310.9229       330.6704 0.000000       
0.000000 310.9229       330.6704 ?        ?        31.55790 13.63535 ? ? 
1 1 1 18  29  31 o 16.77051 5.963162  -357.5747      145.4882 -345.2311      
291.5465 -361.6678      167.8860 19.67703 9.708102 13.86399 6.927478 5.813043 
11.92632 
1 1 1 18  29  32 o 18.75790 6.386591  -101.5101      133.3127 -114.8848      
252.1436 -96.32067      157.0605 20.54399 9.893430 16.97181 8.079247 3.572182 
12.77318 
1 1 1 18  29  33 o 16.79553 5.742833  -89.54750      107.9038 -359.7567      
262.8475 -34.78070      118.3348 17.60639 8.779039 15.98468 7.406011 1.621711 
11.48567 
1 1 1 18  30  0  o 19.17846 5.002062  72.82684       52.03795 90.24200       
84.01357 61.98645       66.28395 20.54939 7.491492 17.80752 6.630237 2.741877 
10.00412 
1 1 1 18  30  1  o 18.85762 5.503793  -5.515460      65.38864 143.3642       
130.3268 -55.60126      75.59159 25.07109 9.304475 12.64415 5.881640 12.42694 
11.00759 
1 1 1 18  30  2  o 28.35344 5.885337  202.0264       71.58633 165.7153       
138.7100 215.2087       83.57651 26.54334 9.630995 30.16352 6.767033 -3.620180 
11.77067 
1 1 1 18  30  3  o 25.36543 6.159706  126.2751       71.93780 222.5463       
141.3700 92.63602       83.56618 29.81156 9.783528 20.91930 7.486686 8.892258 
12.31941 
1 1 1 18  30  4  o 27.19857 6.169696  179.6940       76.40446 144.5414       
149.1193 192.2076       88.97026 25.99791 9.880569 28.39922 7.391544 -2.401310 
12.33939 
1 1 1 18  30  5  o 43.74052 4.391357  414.5080       80.64206 0.000000       
0.000000 414.5080       80.64206 ?        ?        43.74052 4.391357 ? ? 
1 1 1 18  30  6  o 23.29306 5.888554  115.7781       79.21702 -22.63541      
148.6807 170.6459       93.61043 19.73035 8.800412 26.85576 7.826432 -7.125410 
11.77711 
1 1 1 18  30  7  o 41.71730 5.950466  496.0928       88.70709 246.7177       
176.3702 580.5391       102.6334 31.71457 10.92205 51.72004 4.726624 -20.00548 
11.90093 
1 1 1 18  30  8  o 34.62653 6.477405  300.7215       94.74722 246.9081       
158.9751 330.3658       117.9925 31.75814 10.37484 37.49491 7.758206 -5.736763 
12.95481 
1 1 1 18  30  9  o 45.50579 6.323990  515.5706       101.7048 437.7480       
202.0685 541.9742       117.7002 41.29993 11.32111 49.71164 5.639494 -8.411709 
12.64798 
1 1 1 18  30  10 f 23.32492 6.496620  92.39289       94.79529 -91.63369      
202.6568 143.9360       107.2522 21.33186 9.808517 25.31798 8.521577 -3.986124 
12.99324 
1 1 1 18  30  11 o 19.54347 6.311863  -51.78738      95.57551 -7.314800      
202.6592 -64.50787      108.3857 23.43614 10.37841 15.65081 7.186591 7.785327 
12.62373 
1 1 1 18  30  12 o 22.17166 6.589139  52.28499       94.44144 22.36336       
188.0802 62.37295       109.2074 23.56821 10.23462 20.77512 8.301776 2.793091 
13.17828 
1 1 1 18  30  13 o 41.05956 6.631572  430.4275       102.6433 330.7394       
203.7106 464.3486       118.8303 36.21778 11.74258 45.90134 6.166274 -9.683563 
13.26314 
1 1 1 18  30  14 o 19.27417 6.134055  -37.58918      102.5244 -223.8949      
201.5201 27.47281       119.0883 18.74810 8.983540 19.80025 8.354790 -1.052151 
12.26811 
1 1 1 18  30  15 o 91.95821 4.501248  1889.347       166.0258 1799.581       
274.4924 1941.133       208.4856 89.47215 7.307410 94.44425 5.258012 -4.972099 
9.002496 
1 1 1 18  30  16 o 34.29662 7.496490  270.1053       105.3789 331.2922       
221.9667 252.3017       119.7324 36.11667 12.25916 32.47657 8.631477 3.640102 
14.99298 
1 1 1 18  30  17 o 50.95907 6.003107  595.3683       109.0721 629.2194       
214.4096 583.5497       126.6898 50.40177 10.48036 51.51637 5.857572 -1.114597 
12.00621 
1 1 1 18  30  18 o 48.58266 6.942667  616.3271       114.4954 485.6300       
243.3421 653.4877       129.7555 42.60373 12.67739 54.56160 5.664476 -11.95787 
13.88533 
1 1 1 18  30  19 o 73.66283 5.166667  1137.140       130.9334 1400.789       
293.5039 1071.636       146.2974 77.14277 9.062326 70.18290 4.965080 6.959869 
10.33333 
1 1 1 18  30  20 o 29.52370 7.345012  150.7332       102.0396 357.0490       
207.9689 85.31785       117.1041 36.88388 11.85533 22.16352 8.674554 14.72036 
14.69002 
1 1 1 18  30  21 o 45.70950 6.788485  496.8139       111.5910 541.4288       
227.9161 482.7464       127.9802 45.05435 11.87886 46.36465 6.574715 -1.310303 
13.57697 
1 1 1 18  30  22 o 21.00704 6.687381  -57.34614      104.2694 107.5132       
217.5305 -106.5230      118.8075 26.82339 11.30370 15.19068 7.149166 11.63271 
13.37476 
1 1 1 18  30  23 o 28.61633 7.189269  204.1227       109.2862 67.55444       
226.4232 245.6012       124.7835 25.79834 11.21669 31.43432 8.996007 -5.635983 
14.37854 
1 1 1 18  30  24 o 58.26704 6.034660  801.6711       143.0414 854.6973       
234.7687 770.3641       180.3913 58.94054 9.487398 57.59354 7.460414 1.347008 
12.06932 
1 1 1 18  30  25 o 44.10260 7.710147  507.2593       137.5344 585.5858       
230.8781 464.1757       171.2318 45.77605 11.90369 42.42915 9.802431 3.346901 
15.42029 
1 1 1 18  30  26 f 27.04203 7.756219  140.3319       134.6434 243.6699       
219.2240 77.73999       170.6150 30.56779 11.88820 23.51626 9.965261 7.051533 
15.51244 
1 1 1 18  30  27 o 71.13094 7.015809  1401.202       178.7109 905.8372       
286.2553 1717.589       228.7704 55.72239 12.53950 86.53947 6.296608 -30.81708 
14.03162 
1 1 1 18  30  28 o 43.95213 7.923779  604.1259       159.5936 367.1566       
273.2299 726.8402       196.6210 33.95575 13.25838 53.94852 8.681034 -19.99277 
15.84756 
1 1 1 18  30  29 o 23.79714 7.212363  87.29438       135.6159 -216.0409      
290.8626 171.5550       153.2988 21.49216 10.40594 26.10213 9.989455 -4.609964 
14.42473 
1 1 1 18  30  30 o 25.23104 7.890353  73.61654       138.8362 304.4069       
290.9723 5.584168       157.9795 30.58514 12.98982 19.87694 8.960761 10.70820 
15.78071 
1 1 1 18  30  31 o 19.62627 6.658917  -72.79099      136.1971 -162.5598      
294.9200 -48.45628      153.5517 21.33346 10.37212 17.91909 8.353667 3.414366 
13.31783 
1 1 1 18  30  32 o 24.13864 11.58108  55.83687       337.5593 0.000000       
0.000000 55.83687       337.5593 ?        ?        24.13864 11.58108 ? ? 
1 1 1 18  30  33 o 20.64049 6.917737  8.768416       132.4739 24.30508       
305.3796 5.166943       147.0284 22.84739 10.97457 18.43360 8.424920 4.413788 
13.83547 
1 1 1 18  31  0  o 45.34806 2.977818  440.5941       55.98484 538.7758       
87.48914 372.5126       72.85396 49.52144 4.208060 41.17468 4.214480 8.346764 
5.955637 
1 1 1 18  31  1  o 35.98251 5.329443  348.1842       68.08999 246.4263       
138.6842 380.5041       78.15874 30.40344 9.672023 41.56158 4.479264 -11.15813 
10.65889 
1 1 1 18  31  2  o 27.37551 5.866704  177.5640       67.21163 209.2672       
131.4097 166.3324       78.21644 28.51963 9.432581 26.23139 6.978489 2.288244 
11.73341 
1 1 1 18  31  3  o 17.72218 5.391004  20.95954       70.29277 -81.23438      
141.7289 54.29820       80.95058 17.26504 8.039803 18.17931 7.184236 
-0.9142761     10.78201 
1 1 1 18  31  4  o 40.94883 5.613806  435.8393       78.93279 338.1465       
160.8544 466.8244       90.58958 35.76422 10.20702 46.13345 4.677173 -10.36923 
11.22761 
1 1 1 18  31  5  o 41.21358 5.971200  391.9718       79.37099 446.0385       
189.0667 380.4049       87.45010 40.86342 10.84001 41.56375 5.011488 
-0.7003250     11.94240 
1 1 1 18  31  6  o 17.01616 8.282161  -260.7166      188.9413 -260.7166      
188.9413 0.000000       0.000000 17.01616 8.282161 ?        ?        ? ? 
1 1 1 18  31  7  o 69.50082 4.535978  994.7901       111.5165 1275.195       
242.9668 919.9548       125.5184 74.01506 7.818941 64.98660 4.600496 9.028465 
9.071957 
1 1 1 18  31  8  o 43.94492 6.038914  327.1927       95.71487 817.0688       
215.8634 207.3091       106.7863 58.64365 8.767565 29.24618 8.306848 29.39747 
12.07783 
1 1 1 18  31  9  o 66.10730 4.659920  878.7263       110.1769 1200.749       
239.4294 792.2197       124.0963 71.97396 7.923612 60.24063 4.906710 11.73333 
9.319840 
1 1 1 18  31  10 o 29.44671 6.427966  226.3909       102.6909 -29.25010      
198.0014 320.4567       120.1071 22.27731 10.03794 36.61612 8.032109 -14.33881 
12.85593 
1 1 1 18  31  11 o 32.11443 7.211037  241.7216       103.1452 312.0024       
184.5687 209.8044       124.3804 34.80988 11.16644 29.41899 9.127262 5.390881 
14.42207 
1 1 1 18  31  12 o 27.72046 7.149032  161.0559       99.20358 213.7361       
189.7434 141.2387       116.3764 30.26750 11.22808 25.17341 8.852386 5.094090 
14.29806 
1 1 1 18  31  13 o 30.15994 6.524841  78.87691       101.0829 498.1751       
197.0883 -70.78678      117.7491 44.18235 10.71920 16.13752 7.442645 28.04483 
13.04968 
1 1 1 18  31  14 o 46.43400 6.508202  452.9824       109.7021 703.6038       
223.6779 373.6053       125.8815 53.04959 10.41417 39.81841 7.808447 13.23118 
13.01640 
1 1 1 18  31  15 o 25.13613 7.065045  116.2534       106.3470 50.56975       
208.0185 139.4954       123.7400 24.98942 10.80628 25.28284 9.104055 
-0.2934151     14.13009 
1 1 1 18  31  16 o 45.82837 6.634260  528.5389       107.0695 468.3894       
219.0997 547.4094       122.7209 41.92675 11.89555 49.73000 5.877886 -7.803249 
13.26852 
1 1 1 18  31  17 o 32.45158 7.414307  167.5392       108.2468 503.7506       
225.3186 66.65832       123.4228 43.36999 11.98393 21.53318 8.733449 21.83680 
14.82861 
1 1 1 18  31  18 o 31.34642 7.215432  238.4038       101.0049 243.8274       
200.0293 236.5477       117.0192 31.53880 11.55349 31.15405 8.646780 0.3847504 
14.43086 
1 1 1 18  31  19 o 27.60766 7.591847  150.8549       110.1162 190.9878       
237.3794 139.8509       124.2992 30.03449 12.14042 25.18084 9.118921 4.853649 
15.18369 
1 1 1 18  31  20 o 41.14683 6.496181  503.2769       111.8399 186.3638       
210.1684 628.4720       132.0964 29.18767 11.56283 53.10599 5.924731 -23.91832 
12.99236 
1 1 1 18  31  21 o 21.13448 6.678334  -23.16692      104.7625 84.88175       
210.4134 -58.77964      120.7998 25.67898 10.98025 16.58998 7.604912 9.088999 
13.35667 
1 1 1 18  31  22 o 29.84416 7.782846  196.8276       114.9059 296.4903       
231.3998 164.2098       132.3805 33.25020 12.38652 26.43811 9.426816 6.812084 
15.56569 
1 1 1 18  31  23 o 22.22779 7.020353  25.11798       114.4727 -44.29865      
259.1143 41.95181       127.6001 24.07150 11.07777 20.38409 8.626966 3.687414 
14.04071 
1 1 1 18  31  24 o 31.44589 8.058293  226.2127       131.4038 407.0129       
233.1147 142.0096       159.0869 37.21748 12.56324 25.67431 10.09501 11.54317 
16.11659 
1 1 1 18  31  25 o 36.33942 8.285278  383.5277       142.3109 346.9976       
251.3265 400.7679       172.6570 34.21428 12.87639 38.46457 10.42986 -4.250298 
16.57056 
1 1 1 18  31  26 o 25.49087 7.845684  92.06204       141.3804 157.9970       
274.5198 68.26083       164.9359 28.26086 12.31938 22.72087 9.718633 5.539986 
15.69137 
1 1 1 18  31  27 o 42.28352 8.595960  476.1835       145.3339 726.6016       
287.6319 390.3321       168.4138 47.09187 13.71738 37.47518 10.36318 9.616684 
17.19192 
1 1 1 18  31  28 o 24.91632 7.774528  68.50111       132.2590 244.5743       
284.9250 20.14245       149.3210 29.70052 12.74110 20.13213 8.912773 9.568386 
15.54906 
1 1 1 18  31  29 o 24.77787 7.704014  104.0612       133.9025 178.2948       
285.4388 83.11549       151.6211 27.47521 12.22593 22.08053 9.377310 5.394680 
15.40803 
1 1 1 18  31  30 o 24.96682 7.851433  94.98611       136.4890 317.0945       
296.5244 35.27668       153.7445 29.74420 12.88270 20.18944 8.978646 9.554756 
15.70287 
1 1 1 18  31  31 o 20.47363 6.803134  0.3822575      137.8131 -150.9530      
299.8119 40.92444       155.1788 20.97206 10.25014 19.97520 8.947913 0.9968605 
13.60627 
1 1 1 18  31  32 o 26.56314 8.080748  219.3702       142.4772 351.7636       
312.9979 184.7671       160.0170 28.37698 12.70983 24.74929 9.982697 3.627689 
16.16150 
1 1 1 18  32  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  32  1  o 13.51872 4.311068  -22.30249      52.20650 -69.09273      
86.96821 4.057353       65.27612 13.10430 6.153338 13.93314 6.039674 
-0.8288412     8.622136 
1 1 1 18  32  2  o 17.92601 4.889864  40.17576       63.81837 -167.8663      
123.3289 116.2548       74.57991 13.84396 6.723413 22.00806 7.102027 -8.164105 
9.779728 
1 1 1 18  32  3  o 15.04040 4.924319  -47.38527      70.41734 -157.1345      
138.1711 -8.878515      81.84365 15.16872 7.309465 14.91208 6.600560 0.2566338 
9.848639 
1 1 1 18  32  4  o 27.96305 5.229606  220.1797       76.93477 -23.94221      
151.0231 305.7352       89.40542 19.20601 8.704157 36.72009 5.799375 -17.51408 
10.45921 
1 1 1 18  32  5  o 42.95614 5.292745  449.2076       79.36328 422.3310       
157.0657 458.4223       91.96729 40.35917 9.430168 45.55311 4.808796 -5.193943 
10.58549 
1 1 1 18  32  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  32  7  o 29.54670 7.038774  182.6542       91.32571 336.4043       
188.8193 135.7034       104.3422 34.95433 11.30248 24.13907 8.392333 10.81526 
14.07755 
1 1 1 18  32  8  o 27.50070 7.007391  149.9013       94.67007 285.5695       
183.3995 100.6200       110.5351 32.68466 11.14336 22.31674 8.499397 10.36792 
14.01478 
1 1 1 18  32  9  o 28.57043 6.414911  217.2145       99.27190 -9.207578      
195.0917 296.3246       115.3176 22.26470 10.00168 34.87617 8.035589 -12.61147 
12.82982 
1 1 1 18  32  10 o 25.98550 6.393944  161.4109       98.90658 -104.3676      
205.2827 241.7602       112.8713 20.64373 9.637412 31.32727 8.405376 -10.68355 
12.78789 
1 1 1 18  32  11 o 41.51765 6.503405  435.4306       95.86265 401.6725       
204.0092 444.9965       108.5988 38.35770 11.64716 44.67760 5.789703 -6.319897 
13.00681 
1 1 1 18  32  12 o 27.16527 7.207125  137.5022       102.8580 265.7721       
194.3275 87.57958       121.2329 32.09535 11.42368 22.23519 8.790346 9.860163 
14.41425 
1 1 1 18  32  13 o 37.83791 7.319689  361.8547       103.9387 374.5328       
237.7414 358.8588       115.5686 36.65613 12.67522 39.01968 7.324630 -2.363548 
14.63938 
1 1 1 18  32  14 o 63.17910 5.243641  974.8647       120.7373 786.5865       
221.2336 1054.728       144.0864 56.98592 9.247077 69.37228 4.947186 -12.38636 
10.48728 
1 1 1 18  32  15 o 24.79918 7.006580  106.1411       103.2552 157.0389       
185.1542 83.16717       124.3945 27.41431 10.85526 22.18405 8.861829 5.230263 
14.01316 
1 1 1 18  32  16 o 22.54608 6.591531  71.34666       102.2230 -43.28545      
189.6114 118.3159       121.3719 21.28239 9.678807 23.80977 8.950631 -2.527372 
13.18306 
1 1 1 18  32  17 f 26.56027 7.116344  158.2608       101.4680 79.52830       
223.0884 178.7969       113.9351 25.93588 11.20289 27.18465 8.778652 -1.248766 
14.23269 
1 1 1 18  32  18 o 21.71121 6.432106  29.44504       112.0553 -380.3144      
241.5776 141.7751       126.4854 18.27560 9.002105 25.14682 9.189673 -6.871218 
12.86421 
1 1 1 18  32  19 o 47.71960 6.544534  601.5368       112.3032 476.8375       
213.1315 649.4661       132.1346 41.56446 11.71308 53.87474 5.841875 -12.31029 
13.08907 
1 1 1 18  32  20 o 21.97651 6.914847  21.25339       102.4926 48.12430       
240.9059 15.31469       113.2536 25.47372 11.29366 18.47931 7.982080 6.994415 
13.82969 
1 1 1 18  32  21 o 38.83399 7.371347  329.2822       107.0065 581.9738       
229.3626 258.9799       120.9795 45.58912 11.86898 32.07887 8.744966 13.51025 
14.74269 
1 1 1 18  32  22 o 43.88511 7.684172  522.3121       119.1573 506.0933       
287.3759 525.6796       130.9441 39.86477 13.92113 47.90545 6.510617 -8.040680 
15.36834 
1 1 1 18  32  23 o 24.88322 7.263952  120.3267       110.6375 17.06832       
262.0480 142.7259       122.0490 25.03038 11.38200 24.73606 9.028296 0.2943172 
14.52790 
1 1 1 18  32  24 o 29.26863 8.075651  216.0822       134.4249 226.7862       
259.5187 212.1573       157.1496 29.97118 12.47189 28.56608 10.26238 1.405102 
16.15130 
1 1 1 18  32  25 o 21.33411 6.971721  -31.88119      140.6264 -341.6436      
310.0035 48.37669       157.7961 21.00982 10.30816 21.65840 9.389425 
-0.6485863     13.94344 
1 1 1 18  32  26 o 22.86783 7.246955  38.79182       141.0148 -117.0271      
271.9934 96.07018       164.9087 22.33064 10.63111 23.40501 9.851550 -1.074371 
14.49391 
1 1 1 18  32  27 o 23.77946 7.587960  -141.9786      147.9501 370.2197       
286.1436 -328.8737      172.8478 32.93379 13.32226 14.62513 7.268140 18.30866 
15.17592 
1 1 1 18  32  28 o 23.20035 7.220217  83.73496       134.6237 -122.7322      
289.2946 140.8043       152.0955 22.14812 10.64911 24.25258 9.753079 -2.104464 
14.44043 
1 1 1 18  32  29 o 24.50549 7.732563  95.57755       134.8791 278.1914       
289.5619 44.97596       152.4251 28.64184 12.56730 20.36914 9.012945 8.272699 
15.46513 
1 1 1 18  32  30 o 21.00721 7.016690  -0.8978204     140.2370 45.01861       
291.4533 -14.73100      159.9727 23.34746 11.06279 18.66695 8.634265 4.680506 
14.03338 
1 1 1 18  32  31 o 21.11698 6.829978  45.52232       140.2561 -289.4519      
312.7694 129.8384       156.9183 19.59768 9.744493 22.63628 9.572837 -3.038601 
13.65996 
1 1 1 18  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  33  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  33  2  o 19.17215 5.560748  62.69140       65.78592 74.54809       
125.3319 58.18245       77.28900 20.62849 8.630904 17.71581 7.013927 2.912685 
11.12150 
1 1 1 18  33  3  o 23.64893 6.037421  127.2540       68.33728 169.8827       
140.8235 114.1235       78.15648 25.59858 9.637653 21.69928 7.274437 3.899302 
12.07484 
1 1 1 18  33  4  o 18.46023 5.540970  41.32542       71.51259 -24.73177      
141.0072 64.19902       82.97524 18.33811 8.341624 18.58236 7.295662 
-0.2442455     11.08194 
1 1 1 18  33  5  o 25.92598 6.458167  154.1172       79.83730 223.3191       
154.2640 128.8012       93.30482 28.73593 10.18320 23.11604 7.945703 5.619886 
12.91633 
1 1 1 18  33  6  o 14.88816 4.935827  -46.81709      67.35216 -237.7581      
165.9693 -9.173148      73.69292 15.59529 7.623203 14.18103 6.271869 1.414260 
9.871655 
1 1 1 18  33  7  o 20.30201 6.262787  18.59772       85.12196 101.0376       
179.0271 -5.483727      96.75895 24.31339 10.25071 16.29063 7.198123 8.022758 
12.52557 
1 1 1 18  33  8  o 24.57268 7.527255  31.94227       143.3045 -86.66422      
181.8897 226.0598       232.6946 19.39326 9.060641 29.75211 12.02260 -10.35885 
15.05451 
1 1 1 18  33  9  o 52.84070 5.964995  683.8926       108.7515 679.5505       
217.8320 685.3342       125.5123 50.33136 10.63728 55.35004 5.401191 -5.018688 
11.92999 
1 1 1 18  33  10 o 21.83249 6.502363  63.80419       100.9288 -67.54840      
199.5255 108.9719       117.0020 20.83347 9.638818 22.83150 8.730182 -1.998024 
13.00473 
1 1 1 18  33  11 o 26.43759 7.257178  142.4475       101.3457 212.9863       
209.3318 120.8521       115.8248 29.39123 11.57251 23.48395 8.760345 5.907278 
14.51436 
1 1 1 18  33  12 o 34.12330 7.063235  297.0042       98.95352 320.9303       
198.8566 289.1298       114.0807 33.98457 11.60344 34.26203 8.057126 
-0.2774620     14.12647 
1 1 1 18  33  13 o 33.75902 7.297646  257.3656       98.55931 417.8222       
208.8972 211.4199       111.7831 38.41381 11.81053 29.10424 8.575191 9.309570 
14.59529 
1 1 1 18  33  14 o 19.73993 6.102394  -5.807383      103.5493 -300.7865      
210.0405 88.90565       119.0179 17.48795 8.554754 21.99190 8.704769 -4.503948 
12.20479 
1 1 1 18  33  15 o 45.37520 6.909074  550.5486       116.8274 465.8557       
224.5619 581.9777       136.7976 40.23543 12.22027 50.51497 6.450294 -10.27954 
13.81815 
1 1 1 18  33  16 o 24.64189 6.715520  128.0819       104.3557 -37.55820      
200.6370 189.5099       122.1832 21.67158 9.882623 27.61220 9.095417 -5.940624 
13.43104 
1 1 1 18  33  17 o 23.71923 6.890416  99.10360       105.4768 50.78188       
198.0146 118.2458       124.6297 23.81631 10.42161 23.62216 9.016729 0.1941586 
13.78083 
1 1 1 18  33  18 o 19.19787 6.133694  -14.39462      99.36152 -136.6020      
201.3680 24.93593       114.2370 19.56612 9.237261 18.82961 8.072286 0.7365036 
12.26739 
1 1 1 18  33  19 o 22.84249 6.986382  63.99190       106.9385 26.26982       
237.0598 73.62928       119.8228 24.48523 11.01084 21.19975 8.602295 3.285471 
13.97276 
1 1 1 18  33  20 f 48.96935 7.281666  717.9464       126.1488 471.5508       
264.3128 790.6282       143.5538 38.75562 13.36830 59.18308 5.777476 -20.42747 
14.56333 
1 1 1 18  33  21 o 22.00003 6.582782  66.80032       103.8977 -116.8771      
224.4873 116.8700       117.2064 20.85679 9.819121 23.14326 8.770231 -2.286472 
13.16556 
1 1 1 18  33  22 o 36.48036 7.948902  363.9731       118.3126 406.2354       
271.8688 354.0994       131.4085 35.62719 13.39540 37.33352 8.561736 -1.706329 
15.89780 
1 1 1 18  33  23 o 30.63724 8.101906  262.5459       135.3355 234.7183       
260.7417 272.8072       158.3335 29.83891 12.46437 31.43556 10.35388 -1.596649 
16.20381 
1 1 1 18  33  24 o 23.25532 7.354440  50.01540       141.9024 -181.4957      
309.7155 111.5267       159.6446 22.67750 10.93165 23.83313 9.841248 -1.155626 
14.70888 
1 1 1 18  33  25 o 32.17551 8.605575  258.5391       145.2645 529.7744       
282.5978 161.1331       169.3512 38.56532 13.77104 25.78570 10.32386 12.77962 
17.21115 
1 1 1 18  33  26 o 36.17186 8.895611  413.3634       156.6970 545.4438       
281.3459 353.9677       188.6683 38.46394 13.73994 33.87979 11.30229 4.584152 
17.79122 
1 1 1 18  33  27 o 22.96696 7.409389  45.72151       134.6924 145.3650       
280.9656 15.98881       153.4779 26.19297 11.87135 19.74096 8.869455 6.452005 
14.81878 
1 1 1 18  33  28 o 29.65926 8.447201  259.7977       139.5393 479.1947       
297.8280 198.0916       157.9479 33.30576 13.54576 26.01277 10.09619 7.292984 
16.89440 
1 1 1 18  33  29 o 23.25802 7.527682  90.47247       139.9753 206.6426       
304.9127 59.45351       157.5586 26.01065 11.98874 20.50539 9.106817 5.505266 
15.05536 
1 1 1 18  33  30 o 24.33463 7.987672  10.68926       153.8774 536.2345       
336.4542 -128.3138      173.0346 31.91803 13.77204 16.75123 8.095827 15.16680 
15.97534 
1 1 1 18  34  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  34  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 18  34  3  o 25.10903 5.880973  159.6488       65.99187 211.8479       
128.9378 141.1221       76.81532 26.89851 9.331327 23.31954 7.160286 3.578970 
11.76195 
1 1 1 18  34  4  o 18.86235 5.668725  53.52198       74.44538 13.15352       
143.2116 68.46951       87.14491 19.05025 8.562947 18.67446 7.430592 0.3757896 
11.33745 
1 1 1 18  34  5  o 44.17827 5.241926  460.6913       82.62280 538.0511       
164.8065 434.7208       95.48953 44.70041 9.097683 43.65613 5.209927 1.044273 
10.48385 
1 1 1 18  34  6  o 33.98984 5.984756  272.0278       74.98949 377.3188       
156.4276 240.6104       85.44807 36.60451 9.928499 31.37518 6.685364 5.229330 
11.96951 
1 1 1 18  34  7  o 25.98071 10.20184  169.2013       162.2691 169.2013       
162.2691 0.000000       0.000000 25.98071 10.20184 ?        ?        ? ? 
1 1 1 18  34  8  o 25.25685 6.768354  139.9550       86.97687 207.6582       
180.6904 119.5367       99.22932 27.94209 10.80818 22.57162 8.150199 5.370472 
13.53671 
1 1 1 18  34  9  o 21.07025 6.393645  28.37184       88.13502 149.5540       
179.9456 -9.873405      101.0906 25.79114 10.51582 16.34937 7.275456 9.441769 
12.78729 
1 1 1 18  34  10 o 28.23099 7.037484  202.4112       95.07267 216.9241       
195.0651 197.8895       108.8804 28.67144 11.20101 27.79053 8.523038 0.8809071 
14.07497 
1 1 1 18  34  11 o 42.16134 6.583973  467.3753       93.07329 445.1188       
215.4272 472.4831       103.2021 38.48782 12.02631 45.83485 5.363076 -7.347031 
13.16795 
1 1 1 18  34  12 o 31.96327 7.125167  220.4725       91.26509 420.1989       
201.0862 168.6577       102.4216 37.94344 11.57182 25.98309 8.316558 11.96035 
14.25033 
1 1 1 18  34  13 o 37.50498 6.826385  317.1810       93.18562 504.4761       
203.0549 267.2117       104.8822 42.16341 11.25625 32.84655 7.726255 9.316853 
13.65277 
1 1 1 18  34  14 o 28.73587 7.082464  220.3262       101.3291 141.3092       
218.6265 241.9439       114.3531 26.69106 11.29408 30.78067 8.549205 -4.089603 
14.16493 
1 1 1 18  34  15 o 49.53253 6.557629  639.5375       117.4518 588.4151       
221.5304 659.5264       138.5236 45.37891 11.58613 53.68616 6.145858 -8.307255 
13.11526 
1 1 1 18  34  16 o 24.33272 7.162058  103.0872       109.7860 139.5991       
214.4538 90.11987       127.8030 26.53810 11.20540 22.12734 8.922969 4.410759 
14.32412 
1 1 1 18  34  17 o 28.21151 7.349845  188.1297       105.6038 268.7874       
199.8494 156.8833       124.3883 31.03576 11.52119 25.38725 9.129240 5.648504 
14.69969 
1 1 1 18  34  18 o 19.20603 6.344755  -54.48759      110.2029 -93.11393      
228.5893 -42.79169      125.7857 21.32809 10.00791 17.08397 7.801621 4.244123 
12.68951 
1 1 1 18  34  19 o 23.17575 6.617867  87.32423       114.8144 -276.2519      
244.4706 190.2101       130.0490 19.15385 9.340552 27.19764 9.377564 -8.043791 
13.23573 
1 1 1 18  34  20 o 37.24847 7.161448  403.0437       112.4215 315.0957       
219.2959 434.3969       130.9359 32.49950 12.06789 41.99744 7.714359 -9.497940 
14.32290 
1 1 1 18  34  21 o 19.06142 6.212071  -30.17774      107.6605 -158.7782      
216.6546 11.99046       124.0621 19.49090 9.333513 18.63194 8.200294 0.8589611 
12.42414 
1 1 1 18  34  22 o 28.81316 7.668662  220.7009       114.9459 225.0205       
248.5358 219.5255       129.6445 28.98978 12.14311 28.63653 9.369015 0.3532524 
15.33732 
1 1 1 18  34  23 o 22.04015 7.138809  -9.827226      153.0297 -334.7722      
309.1082 95.67148       176.1283 20.60536 10.14919 23.47494 10.04213 -2.869577 
14.27762 
1 1 1 18  34  24 o 20.79699 6.912487  -42.88744      137.4167 -54.74794      
274.8834 -38.93585      158.6655 22.86296 10.79336 18.73102 8.639056 4.131943 
13.82497 
1 1 1 18  34  25 o 32.52824 8.896767  182.3531       148.4914 830.0915       
341.3707 31.19089       164.9103 44.37432 15.20302 20.68215 9.245426 23.69217 
17.79353 
1 1 1 18  34  26 o 21.09303 7.031374  -14.14161      146.3822 -73.20127      
298.7404 4.518834       167.9227 22.39661 10.78150 19.78945 9.028849 2.607162 
14.06275 
1 1 1 18  34  27 o 29.35711 8.408353  329.6700       172.6994 166.0223       
350.8808 381.9875       198.3936 25.89801 12.21685 32.81621 11.55639 -6.918203 
16.81671 
1 1 1 18  34  28 o 24.12920 7.592485  149.0576       140.7856 148.6191       
309.8637 149.1717       158.0396 24.82354 11.64881 23.43486 9.741077 1.388676 
15.18497 
1 1 1 18  35  4  o 44.24528 4.408595  400.2258       72.85600 682.6342       
151.7808 315.6757       83.04912 51.92122 6.962945 36.56934 5.409274 15.35188 
8.817190 
1 1 1 18  35  5  o 26.11126 5.958081  206.2655       78.78346 106.0770       
157.2401 239.8472       91.03446 22.00097 9.452493 30.22155 7.255709 -8.220579 
11.91616 
1 1 1 18  35  6  o 46.25868 5.550349  516.3947       91.51199 650.7167       
185.1671 472.9841       105.2659 47.66230 9.590591 44.85506 5.589815 2.807232 
11.10070 
1 1 1 18  35  7  o 30.27087 8.922246  257.2055       120.9926 0.000000       
0.000000 257.2055       120.9926 ?        ?        30.27087 8.922246 ? ? 
1 1 1 18  35  8  o 24.42127 6.705675  149.4290       94.93594 170.7578       
161.8654 138.2446       117.2134 25.40913 10.12174 23.43341 8.798560 1.975718 
13.41135 
1 1 1 18  35  9  o 43.82397 5.824916  490.7039       101.4984 501.6538       
164.9071 484.0260       128.7812 42.80779 9.429853 44.84015 6.840793 -2.032364 
11.64983 
1 1 1 18  35  10 o 21.38315 6.251059  79.95016       94.95847 -16.40272      
162.9536 129.4932       116.8484 19.54306 8.910460 23.22324 8.769645 -3.680180 
12.50212 
1 1 1 18  35  11 o 15.44567 5.262586  -116.3055      91.08505 -219.9150      
182.9868 -82.17793      105.0202 16.63404 8.106231 14.25729 6.713290 2.376746 
10.52517 
1 1 1 18  35  12 o 34.88634 7.208756  326.6687       100.3465 384.0251       
215.0646 310.7070       113.4532 34.79840 12.05337 34.97429 7.910808 
-0.1758957     14.41751 
1 1 1 18  35  13 f 24.87737 7.131698  93.96238       89.77703 286.3411       
222.2725 56.45965       98.13834 30.82000 11.97381 18.93474 7.750639 11.88526 
14.26340 
1 1 1 18  35  14 f 30.74155 7.522297  236.1122       99.09576 342.5790       
234.0416 212.8559       109.3847 32.89587 12.41452 28.58724 8.498205 4.308630 
15.04459 
1 1 1 18  35  15 o 17.92180 5.914535  -48.97216      100.9418 -302.9717      
232.4681 10.04584       112.0570 18.07512 8.886947 17.76848 7.806989 0.3066387 
11.82907 
1 1 1 18  35  16 o 19.05929 6.248037  -26.47355      101.9427 -79.16545      
222.6515 -12.49777      114.6679 20.99884 9.857684 17.11974 7.679710 3.879097 
12.49607 
1 1 1 18  35  17 o 23.44418 6.982468  103.9262       111.2187 25.07074       
228.0743 128.5278       127.3920 23.31546 10.60655 23.57289 9.084078 
-0.2574291     13.96494 
1 1 1 18  35  18 o 41.72004 7.224363  428.3141       116.2952 665.9134       
221.7514 338.1737       136.5852 47.88756 11.21524 35.55252 9.109562 12.33504 
14.44873 
1 1 1 18  35  19 o 25.90682 7.366178  129.3821       105.5639 288.0116       
222.3901 83.24378       119.9373 30.70092 11.96679 21.11271 8.592914 9.588209 
14.73236 
1 1 1 18  35  20 o 26.53024 7.272731  179.4063       105.2056 178.5036       
226.6466 179.6543       118.7771 26.93739 11.45319 26.12309 8.966322 0.8142929 
14.54546 
1 1 1 18  35  21 o 38.81522 7.155629  460.6644       116.7183 353.3191       
238.9995 494.2842       133.7530 32.43117 12.45518 45.19926 7.048445 -12.76809 
14.31126 
1 1 1 18  35  22 o 26.07734 7.140956  187.9976       113.3425 60.09125       
237.5479 225.6998       128.9699 23.72255 10.80053 28.43213 9.344606 -4.709581 
14.28191 
1 1 1 18  35  23 o 21.92491 7.188013  10.44363       155.4454 -242.4703      
320.6988 88.11111       177.7177 21.22553 10.43660 22.62429 9.886738 -1.398764 
14.37603 
1 1 1 18  35  24 o 21.91304 7.182353  29.07655       152.9194 -57.18742      
279.4156 65.96214       182.7108 22.02204 10.55857 21.80405 9.739685 0.2179852 
14.36471 
1 1 1 18  35  25 o 34.55802 8.887512  406.4943       148.5288 649.3583       
306.2826 331.8197       169.8350 37.40004 14.17608 31.71600 10.72335 5.684036 
17.77502 
1 1 1 18  35  26 o 24.05027 7.752438  136.4867       157.1797 117.2546       
344.8612 141.5294       176.5877 24.72456 11.82430 23.37599 10.02931 1.348566 
15.50488 
1 1 1 18  35  27 o 26.57672 8.191472  215.5828       150.5879 394.2117       
312.7093 161.6526       171.8228 29.26146 12.93343 23.89198 10.05621 5.369484 
16.38294 
1 1 1 18  36  7  o 19.29182 5.805884  68.72647       80.63256 -3.724299      
159.3939 93.64323       93.47511 18.71527 8.642096 19.86836 7.755472 -1.153086 
11.61177 
1 1 1 18  36  8  o 35.05052 6.040091  314.3654       84.24313 467.1649       
149.7619 243.6359       101.8921 40.35946 9.061349 29.74158 7.988914 10.61788 
12.08018 
1 1 1 18  36  9  o 37.70753 5.792462  391.2938       88.06446 354.2644       
144.3168 413.2626       111.1595 34.34587 9.625376 41.06920 6.446908 -6.723328 
11.58492 
1 1 1 18  36  10 o 27.11488 6.482671  221.2960       97.52849 97.03794       
160.0390 294.7040       123.0085 21.98816 9.493052 32.24159 8.830744 -10.25343 
12.96534 
1 1 1 18  36  11 o 21.05904 6.213645  87.78337       94.61723 -14.24660      
170.5886 133.1185       113.7113 19.34803 8.936623 22.77006 8.635642 -3.422033 
12.42729 
1 1 1 18  36  12 o 21.48154 6.461440  86.79900       95.57082 86.29681       
179.3329 86.99819       112.9461 22.44639 9.869234 20.51668 8.342603 1.929708 
12.92288 
1 1 1 18  36  13 o 19.52669 6.198799  24.44784       100.0892 -5.560401      
184.6135 36.94013       119.1144 20.31862 9.350636 18.73476 8.140395 1.583855 
12.39760 
1 1 1 18  36  14 o 17.49284 5.565272  -31.19216      94.46387 -258.6159      
171.6549 67.60050       113.1360 15.21109 7.491400 19.77460 8.232128 -4.563518 
11.13054 
1 1 1 18  36  15 o 43.89722 6.641056  531.4516       112.4155 525.8625       
202.0902 533.9559       135.2765 40.94744 11.36256 46.84700 6.877991 -5.899563 
13.28211 
1 1 1 18  36  16 o 25.33632 7.215467  134.7678       107.6064 292.1983       
205.7639 75.50475       126.2458 30.03419 11.55103 20.63845 8.650172 9.395733 
14.43093 
1 1 1 18  36  17 o 17.96812 6.038008  -68.73563      109.5833 -118.0337      
219.1887 -52.30735      126.5317 19.56772 9.374547 16.36853 7.612361 3.199196 
12.07602 
1 1 1 18  36  18 o 27.33597 7.358834  223.9839       118.1506 136.2693       
235.6492 253.4386       136.5548 25.09565 11.14238 29.57629 9.615466 -4.480633 
14.71767 
1 1 1 18  36  19 o 19.83448 6.389434  14.86238       108.2529 8.187102       
205.6283 17.42175       127.3254 21.27807 9.821800 18.39089 8.175067 2.887182 
12.77887 
1 1 1 18  36  20 o 21.43445 6.857469  52.57476       112.1515 73.55824       
250.0598 47.29110       125.4794 23.59981 10.86971 19.26910 8.363544 4.330711 
13.71494 
1 1 1 18  36  21 o 33.35955 8.154925  323.8444       124.2573 571.9419       
250.1603 242.5850       143.1673 38.44844 13.01446 28.27066 9.830314 10.17778 
16.30985 
1 1 1 18  36  22 o 38.56076 8.370801  476.5208       127.1107 669.4821       
324.0875 441.4413       138.1826 37.00932 14.44193 40.11220 8.468281 -3.102882 
16.74160 
1 1 1 18  36  23 f 33.58140 9.094704  379.6163       151.6686 743.6949       
337.2791 287.3333       169.8059 37.88987 14.74371 29.27293 10.65258 8.616938 
18.18941 
1 1 1 18  36  24 o 18.67447 6.606807  -240.2756      161.4753 -62.48476      
335.8747 -293.7216      184.1535 22.33067 10.90029 15.01827 7.468822 7.312407 
13.21361 
1 1 1 18  37  11 o 25.32167 6.635139  183.9000       89.43985 230.4227       
157.7385 161.8553       108.5819 26.71843 10.15986 23.92491 8.536838 2.793528 
13.27028 
1 1 1 18  37  12 o 25.10333 6.517813  118.0138       90.47060 371.9174       
168.3751 14.95618       107.2713 33.34350 10.66225 16.86316 7.499604 16.48035 
13.03563 
1 1 1 18  37  13 o 30.78178 6.887090  292.9205       97.37694 306.8545       
169.5035 286.0566       118.9676 30.05413 10.67192 31.50943 8.708504 -1.455296 
13.77418 
1 1 1 18  37  14 o 18.49496 5.852386  14.05833       99.14606 -145.5096      
176.5931 87.50863       119.8113 16.68718 8.085768 20.30274 8.462982 -3.615561 
11.70477 
1 1 1 18  37  15 o 39.32253 6.237895  534.0654       118.9353 173.5918       
204.2174 719.0901       146.3089 24.62407 10.67846 54.02100 6.451032 -29.39693 
12.47579 
1 1 1 18  37  16 o 30.30739 7.064637  318.7993       117.0987 160.3951       
220.5320 380.9961       138.1887 24.40123 10.81347 36.21354 9.094250 -11.81231 
14.12927 
1 1 1 18  37  17 o 20.41315 6.521847  -0.2627447E-01 113.4027 191.7505       
196.0665 -96.43354      139.0146 25.13837 10.66920 15.68793 7.503737 9.450438 
13.04369 
1 1 1 18  37  18 f 21.83041 6.821423  73.02937       116.2597 192.6858       
200.9207 12.80046       142.5473 25.14578 10.74025 18.51504 8.412741 6.630737 
13.64285 
1 1 1 18  37  19 o 32.84604 7.627196  381.0274       126.6172 310.4792       
215.3893 418.2804       156.5170 28.84144 11.60308 36.85063 9.902774 -8.009193 
15.25439 
1 1 1 18  37  20 o 19.07570 6.283632  -6.055546      111.1303 37.14896       
208.6648 -23.16215      131.3006 21.19898 9.826732 16.95241 7.833995 4.246567 
12.56726 
1 1 1 18  37  21 o 24.43155 7.209459  90.85829       114.0523 398.4170       
222.1815 -19.18195      132.8984 31.73624 12.06084 17.12686 7.901977 14.60938 
14.41892 
1 1 1 19  -22 0  o 26.09058 7.133436  158.2007       111.2816 55.90529       
137.5285 352.1805       189.3838 19.98222 8.715022 32.19894 11.29566 -12.21673 
14.26687 
1 1 1 19  -22 1  o 26.04030 7.597919  188.1693       132.4437 105.5285       
168.7326 320.8056       213.7632 22.33797 9.697058 29.74263 11.69960 -7.404665 
15.19584 
1 1 1 19  -22 2  o 28.20010 7.883649  279.1051       139.3700 246.6559       
209.8908 304.6955       186.3928 26.90038 11.20651 29.49981 11.09152 -2.599424 
15.76730 
1 1 1 19  -22 3  o 28.15560 7.899398  263.4951       141.4858 412.0152       
216.8771 153.4512       186.6827 32.55524 12.01860 23.75596 10.25452 8.799282 
15.79880 
1 1 1 19  -21 0  o 28.03474 7.598483  173.4858       128.1181 50.71179       
161.1439 384.4378       211.2285 21.42298 9.387655 34.64649 11.95072 -13.22351 
15.19697 
1 1 1 19  -21 1  o 18.14504 6.041957  -86.54632      119.5200 -86.58813      
160.0251 -86.49355      179.7413 17.64059 8.300691 18.64949 8.781773 -1.008902 
12.08391 
1 1 1 19  -21 2  o 56.36127 7.284146  907.5695       166.7611 1029.101       
232.9431 779.8084       238.8391 62.31441 8.903944 50.40813 11.53061 11.90628 
14.56829 
1 1 1 19  -21 3  o 26.55737 7.679646  207.7718       135.9173 208.5901       
198.2706 207.0462       186.6844 26.59919 10.97374 26.51555 10.74639 
0.8364105E-01  15.35929 
1 1 1 19  -21 4  o 25.88919 7.263668  160.7777       136.1247 362.7037       
189.6396 -53.85110      195.5135 32.45681 11.31116 19.32157 9.115983 13.13524 
14.52734 
1 1 1 19  -21 5  o 40.92876 7.671112  564.4951       140.1147 677.1537       
189.1619 427.5465       208.5595 47.94979 9.735475 33.90773 11.85767 14.04206 
15.34222 
1 1 1 19  -21 6  o 28.85294 7.914539  299.6552       137.0081 306.1727       
186.0333 291.9304       202.5340 29.35210 11.07087 28.35378 11.31352 0.9983253 
15.82908 
1 1 1 19  -20 0  o 29.88113 7.568597  236.1655       127.5313 346.0518       
178.8931 122.6084       181.8565 34.76976 10.97730 24.99250 10.42274 9.777252 
15.13719 
1 1 1 19  -20 1  o 35.52351 7.863812  366.9277       131.0186 407.2189       
186.0331 327.2754       184.5524 37.53358 11.06360 33.51344 11.17833 4.020134 
15.72762 
1 1 1 19  -20 2  o 32.69655 7.968738  311.8399       132.9291 370.0365       
197.3411 263.5004       179.8538 35.01498 11.55914 30.37811 10.97221 4.636869 
15.93748 
1 1 1 19  -20 3  o 33.40903 8.077424  297.0880       146.4282 119.9462       
189.1161 562.2533       231.3802 24.62168 10.46512 42.19638 12.30692 -17.57471 
16.15485 
1 1 1 19  -20 4  o 24.16303 7.247450  103.4649       127.3800 35.10104       
165.8224 201.8775       198.9552 21.05413 9.347551 27.27192 11.07815 -6.217787 
14.49490 
1 1 1 19  -20 5  o 25.67222 7.656288  163.9953       141.9124 204.6088       
201.0945 123.7033       200.2969 26.96930 11.07634 24.37514 10.57306 2.594168 
15.31258 
1 1 1 19  -20 6  f 21.80409 6.892816  26.19989       131.0511 -92.74076      
172.6281 187.9866       201.3343 17.78639 8.468525 25.82178 10.87785 -8.035397 
13.78563 
1 1 1 19  -20 7  f 18.11418 6.118782  -87.46537      129.1073 -77.16031      
169.7102 -101.6230      198.9196 17.71876 8.417481 18.50960 8.882791 
-0.7908344     12.23756 
1 1 1 19  -20 8  o 19.43043 6.591260  -73.69354      152.0491 -94.58034      
200.1810 -45.21092      233.7635 18.48494 8.880637 20.37593 9.742336 -1.890991 
13.18252 
1 1 1 19  -19 0  o 22.73809 6.859433  10.83515       123.7723 -133.7769      
168.1887 181.6728       182.8042 17.74923 8.407183 27.72695 10.84097 -9.977722 
13.71887 
1 1 1 19  -19 1  o 60.87344 5.457209  884.8127       138.8830 932.2672       
192.3358 833.1128       200.7550 62.98736 7.273240 58.75951 8.137843 4.227852 
10.91442 
1 1 1 19  -19 2  o 38.71899 7.629770  422.7014       134.3877 539.2787       
186.5409 296.9121       193.7710 44.99994 10.11978 32.43805 11.42119 12.56189 
15.25954 
1 1 1 19  -19 3  o 41.60565 7.594262  500.9652       138.2095 601.4496       
182.1609 364.6484       212.1684 48.22867 9.329432 34.98263 11.98553 13.24604 
15.18852 
1 1 1 19  -19 4  o 27.19240 7.548345  184.3798       127.5124 220.5756       
167.1032 133.9238       197.2932 28.68965 10.55499 25.69515 10.79362 2.994493 
15.09669 
1 1 1 19  -19 5  o 22.93348 7.108187  62.22834       130.8515 80.54663       
172.3683 37.31335       201.0227 23.06306 9.902371 22.80390 10.20041 0.2591648 
14.21637 
1 1 1 19  -19 6  o 31.26742 8.096828  248.1128       144.0943 98.05602       
182.9102 493.5759       233.9393 23.71749 10.19262 38.81735 12.58352 -15.09986 
16.19366 
1 1 1 19  -19 7  o 21.05324 6.723955  -7.344291      133.1365 113.4194       
180.4469 -151.6295      197.2386 23.82849 10.17800 18.27799 8.789459 5.550501 
13.44791 
1 1 1 19  -19 8  o 25.28933 7.555489  163.7363       140.6229 214.8544       
189.6120 101.2529       209.6337 26.94188 10.86686 23.63678 10.50014 3.305101 
15.11098 
1 1 1 19  -19 9  o 28.53252 7.776579  244.6111       133.5336 132.0684       
171.3456 418.6881       213.1006 23.29212 9.932467 33.77293 11.96858 -10.48081 
15.55316 
1 1 1 19  -19 10 o 23.20768 7.146462  116.9951       129.5420 38.73958       
168.5908 229.7979       202.4120 20.14467 9.152088 26.27069 10.97848 -6.126017 
14.29292 
1 1 1 19  -18 0  o 20.16385 6.476248  -46.28067      120.5408 4.574368       
167.4352 -100.9980      173.6771 21.35026 9.446785 18.97744 8.861457 2.372824 
12.95250 
1 1 1 19  -18 1  o 79.67915 5.284330  1488.702       161.2279 1509.958       
194.0895 1441.383       289.5940 82.31183 5.616437 77.04649 8.952776 5.265343 
10.56866 
1 1 1 19  -18 2  o 100.9584 6.105167  2470.234       233.5351 2492.402       
279.4201 2418.867       425.3383 104.7580 6.353185 97.15881 10.42733 7.599220 
12.21033 
1 1 1 19  -18 3  o 26.76548 7.161907  143.5617       126.9625 281.4654       
163.6732 -64.78424      201.1787 32.48152 10.52500 21.04944 9.715763 11.43208 
14.32381 
1 1 1 19  -18 4  o 31.94440 7.705063  280.7758       126.3535 321.2838       
162.7007 219.2208       200.5632 34.49392 10.38687 29.39487 11.38354 5.099054 
15.41013 
1 1 1 19  -18 5  f 22.74636 7.106598  35.01679       132.7444 19.95010       
178.7876 53.52578       198.1617 21.87930 9.710988 23.61341 10.37842 -1.734104 
14.21320 
1 1 1 19  -18 6  o 53.97420 6.941809  768.7267       150.5809 992.2394       
215.1914 554.2757       210.7841 63.86158 8.026131 44.08682 11.32855 19.77476 
13.88362 
1 1 1 19  -18 7  o 19.22693 6.359691  -81.18945      127.7866 -55.66842      
166.3729 -117.9053      199.5538 19.04648 8.808085 19.40738 9.176072 
-0.3609009     12.71938 
1 1 1 19  -18 8  o 47.12814 7.310448  624.2766       140.7955 663.2241       
181.3944 565.2520       223.3056 51.32324 8.418424 42.93303 11.95411 8.390209 
14.62090 
1 1 1 19  -18 9  o 39.68092 7.549473  484.6228       137.9840 629.1132       
186.4823 309.7994       205.1247 48.02788 9.587728 31.33397 11.66420 16.69391 
15.09895 
1 1 1 19  -18 10 o 28.30279 7.602528  248.0846       132.1202 317.5328       
169.1758 139.5039       211.5359 31.85947 10.70252 24.74611 10.80046 7.113367 
15.20506 
1 1 1 19  -18 11 o 26.38529 7.313097  101.4059       139.1881 -157.8644      
181.2795 473.7796       217.2510 16.85522 8.175042 35.91537 12.12824 -19.06015 
14.62619 
1 1 1 19  -18 12 o 32.99302 7.709726  401.3108       154.7557 600.9274       
200.2409 105.2400       243.8666 42.70600 11.07667 23.28003 10.72692 19.42597 
15.41945 
1 1 1 19  -17 0  o 25.24341 7.270929  105.2237       119.8201 103.7721       
156.0132 107.3113       187.0919 24.59159 9.882667 25.89523 10.66764 -1.303635 
14.54186 
1 1 1 19  -17 1  o 35.35338 7.875664  320.3752       124.4485 314.2643       
148.4784 334.8060       228.1675 35.32754 9.713522 35.37922 12.39967 
-0.5168533E-01 15.75133 
1 1 1 19  -17 2  o 50.40224 6.493639  609.2375       129.3230 584.3066       
161.9293 653.1430       214.8901 50.23529 7.677813 50.56920 10.47476 
-0.3339119     12.98728 
1 1 1 19  -17 3  o 20.00025 6.477080  -94.81997      120.7336 -185.4447      
154.4949 47.34450       193.5024 16.08833 7.746860 23.91217 10.38251 -7.823849 
12.95416 
1 1 1 19  -17 4  o 27.57640 7.640963  167.1877       129.8642 201.7943       
169.4029 117.8639       202.2409 28.84187 10.62578 26.31092 10.98317 2.530951 
15.28193 
1 1 1 19  -17 5  o 40.23055 8.175490  448.8577       145.3202 452.4362       
201.3623 444.9680       209.9332 40.56177 11.37043 39.89932 11.75023 0.6624489 
16.35098 
1 1 1 19  -17 6  o 27.65846 7.726764  175.0456       134.0633 212.1207       
176.7489 124.8202       205.7202 29.03564 10.82368 26.28128 11.02994 2.754364 
15.45353 
1 1 1 19  -17 7  o 33.86073 8.118191  318.6742       135.9814 285.8698       
177.0958 365.7984       212.2583 32.26392 10.95017 35.45754 11.98807 -3.193623 
16.23638 
1 1 1 19  -17 8  o 30.39828 7.805869  251.8423       127.7257 244.3640       
167.2161 262.3169       197.8986 30.03576 10.60628 30.76079 11.45570 
-0.7250309     15.61174 
1 1 1 19  -17 9  o 26.91705 7.837926  152.6552       135.4282 104.4093       
165.1269 251.7878       236.6987 23.78267 9.925848 30.05142 12.13301 -6.268744 
15.67585 
1 1 1 19  -17 10 o 28.52832 7.681746  223.0889       134.4146 303.0365       
177.1999 114.7494       206.2785 32.11432 10.95339 24.94233 10.77312 7.171995 
15.36349 
1 1 1 19  -17 11 o 21.49652 6.845533  27.81833       130.7219 74.86672       
166.7147 -47.28011      210.6285 22.23375 9.645165 20.75930 9.716794 1.474453 
13.69107 
1 1 1 19  -17 12 o 37.33557 8.218450  549.7790       178.1501 180.8644       
345.0248 683.8888       208.0261 26.87297 12.52561 47.79817 10.64334 -20.92520 
16.43690 
1 1 1 19  -17 13 o 25.24577 7.269819  188.6066       140.8857 -152.6785      
297.6917 287.1078       159.9297 20.80107 10.17757 29.69047 10.38355 -8.889404 
14.53964 
1 1 1 19  -17 14 o 21.67717 7.328115  13.44431       146.5791 137.3369       
344.8920 -13.86686      161.9312 24.79880 11.85143 18.55553 8.622576 6.243269 
14.65623 
1 1 1 19  -16 0  o 46.95302 6.671659  566.7233       119.1332 636.5115       
144.8985 421.1249       209.2914 53.54424 6.445732 40.36179 11.68318 13.18245 
13.34332 
1 1 1 19  -16 1  o 30.12580 11.33924  202.5987       194.9158 202.5987       
194.9158 0.000000       0.000000 30.12580 11.33924 ?        ?        ? ? 
1 1 1 19  -16 2  o 25.33421 7.257440  68.05944       119.1009 -13.30647      
148.6160 214.1265       199.1225 20.09596 8.894877 30.57246 11.47009 -10.47650 
14.51488 
1 1 1 19  -16 3  f 56.63074 6.181013  777.1769       137.9406 861.7914       
181.2620 660.7481       212.6251 61.75343 6.991441 51.50806 10.19507 10.24537 
12.36203 
1 1 1 19  -16 4  o 64.74488 5.655746  984.3376       150.6119 1058.427       
200.2227 887.7778       228.5774 68.32209 6.980285 61.16767 8.900867 7.154419 
11.31149 
1 1 1 19  -16 5  o 27.27665 7.664938  149.3104       129.8327 136.1827       
171.3931 166.9864       198.8801 26.30480 10.43519 28.24850 11.22995 -1.943703 
15.32988 
1 1 1 19  -16 6  o 22.62329 7.089877  10.83404       133.2402 24.64593       
177.5715 -6.961689      201.5602 22.50561 9.858364 22.74096 10.19206 
-0.2353477     14.17975 
1 1 1 19  -16 7  o 27.33137 7.922635  145.5209       142.4254 128.3598       
182.4859 172.2657       227.8119 25.99944 10.59346 28.66330 11.78352 -2.663855 
15.84527 
1 1 1 19  -16 8  o 37.53793 8.090314  401.9785       139.4603 433.2400       
171.3462 340.6276       240.0382 40.60250 10.08462 34.47337 12.65358 6.129128 
16.18063 
1 1 1 19  -16 9  o 57.14240 6.654721  735.2215       147.6278 604.3549       
173.3210 1081.091       281.7686 49.95965 8.263286 64.32513 10.43357 -14.36548 
13.30944 
1 1 1 19  -16 10 o 64.85563 7.233827  1110.966       189.7950 1084.656       
287.0664 1131.398       252.9754 62.54599 11.35029 67.16527 8.971286 -4.619274 
14.46765 
1 1 1 19  -16 11 o 69.03844 6.426629  1148.596       167.0714 1381.997       
322.5838 1063.039       195.3066 71.00355 10.82140 67.07333 6.935665 3.930222 
12.85326 
1 1 1 19  -16 12 o 22.46315 7.379184  -35.78412      137.9771 155.7295       
288.9675 -92.34190      157.0346 27.41802 12.24798 17.50827 8.233862 9.909750 
14.75837 
1 1 1 19  -16 13 o 55.49023 8.728767  868.2113       174.3040 1222.738       
367.5475 765.3439       197.9832 56.87376 15.12625 54.10670 8.715619 2.767063 
17.45753 
1 1 1 19  -16 14 o 29.99069 8.627832  239.8754       145.0701 604.8531       
310.7083 138.1316       164.0491 36.40359 14.15399 23.57779 9.870284 12.82580 
17.25566 
1 1 1 19  -16 15 o 23.94653 7.656452  140.8686       159.8673 2.689029       
348.7789 177.6213       179.8758 23.31563 11.31813 24.57744 10.31431 -1.261810 
15.31290 
1 1 1 19  -15 0  o 60.56684 4.674910  815.5637       117.6998 869.1000       
159.5454 751.6367       174.3422 63.01245 6.030859 58.12123 7.144780 4.891216 
9.349820 
1 1 1 19  -15 1  o 94.86294 4.647137  1971.247       180.7048 1911.578       
230.5200 2066.362       291.0434 93.49203 5.872934 96.23385 7.203622 -2.741821 
9.294274 
1 1 1 19  -15 2  o 59.71810 7.389490  859.8600       180.6403 776.2960       
253.0906 946.6338       257.9055 55.92950 11.17367 63.50671 9.673018 -7.577213 
14.77898 
1 1 1 19  -15 3  o 65.49682 6.315181  1040.706       156.0458 1136.278       
195.0137 870.5892       260.1796 71.60680 6.486819 59.38684 10.83731 12.21997 
12.63036 
1 1 1 19  -15 4  o 29.96332 7.719244  205.7983       126.5537 236.0553       
163.3436 160.3618       200.1664 31.29475 10.51642 28.63189 11.30274 2.662861 
15.43849 
1 1 1 19  -15 5  o 24.62650 7.300475  72.31484       128.0041 112.0213       
168.4959 18.12512       196.8417 25.58471 10.27513 23.66829 10.37350 1.916412 
14.60095 
1 1 1 19  -15 6  o 21.59418 6.912302  -46.58546      136.0520 21.29931       
170.1822 -166.8091      226.4764 22.31809 9.714280 20.87027 9.836284 1.447821 
13.82460 
1 1 1 19  -15 7  o 46.59406 7.370975  574.0151       140.1438 646.5357       
176.5116 450.3334       230.5129 52.73722 7.972179 40.45089 12.40038 12.28633 
14.74195 
1 1 1 19  -15 8  o 53.72595 6.589969  721.7440       139.9843 786.5512       
182.4944 629.1061       218.1886 58.34966 7.449587 49.10224 10.87265 9.247425 
13.17994 
1 1 1 19  -15 9  o 24.65549 7.716913  32.35332       160.4591 -86.82128      
260.0205 105.6486       203.9172 23.39711 10.89319 25.91387 10.93350 -2.516766 
15.43383 
1 1 1 19  -15 10 o 32.23182 7.842816  288.0652       132.3416 178.6235       
238.0677 337.0106       159.2079 28.79591 11.96172 35.66773 10.14674 -6.871815 
15.68563 
1 1 1 19  -15 11 o 32.60635 7.892532  303.1472       148.7976 67.40346       
253.8754 426.5055       183.6473 25.85606 11.51710 39.35664 10.79466 -13.50058 
15.78506 
1 1 1 19  -15 12 o 23.25720 7.531458  -12.20306      141.7986 122.8172       
287.1451 -55.74800      163.0688 27.53095 12.25624 18.98345 8.756482 8.547503 
15.06292 
1 1 1 19  -15 13 o 39.71215 8.374437  508.7544       152.6784 397.3732       
300.1298 547.6415       177.3394 34.13853 13.71221 45.28577 9.617700 -11.14724 
16.74887 
1 1 1 19  -15 14 f 22.67703 7.659154  -85.58481      164.4553 130.3824       
343.3128 -149.8996      187.3491 27.41331 12.66795 17.94075 8.612411 9.472563 
15.31831 
1 1 1 19  -15 15 o 35.02665 8.801661  472.5747       183.5590 258.3817       
316.2291 581.4170       225.4229 28.38264 12.74222 41.67067 12.14548 -13.28802 
17.60332 
1 1 1 19  -15 16 o 20.68304 7.303127  -244.1253      191.5680 117.4897       
388.7435 -360.1040      220.1553 25.33358 12.22065 16.03249 7.999905 9.301094 
14.60625 
1 1 1 19  -14 0  o 52.37019 5.462778  630.6096       113.0668 696.6543       
148.4202 539.2764       174.5372 56.53461 6.253160 48.20576 8.959115 8.328846 
10.92556 
1 1 1 19  -14 1  o 65.31179 4.791485  864.1026       124.4621 723.7983       
149.5803 1179.850       224.3929 57.61240 6.184142 73.01118 7.320500 -15.39878 
9.582971 
1 1 1 19  -14 2  o 45.38120 6.766466  487.0061       114.4471 493.8364       
134.2950 468.8848       218.7427 47.37094 6.752564 43.39146 11.72788 3.979485 
13.53293 
1 1 1 19  -14 3  o 51.03783 6.371814  595.2560       120.9811 582.2091       
143.6133 627.1443       224.5218 51.40823 6.654002 50.66744 10.86850 0.7407951 
12.74363 
1 1 1 19  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -14 5  o 86.81041 5.097042  1725.998       162.0004 1777.510       
190.0904 1589.309       309.6509 90.61452 4.996703 83.00629 8.885511 7.608223 
10.19408 
1 1 1 19  -14 6  o 94.56464 5.831853  2100.847       197.4314 2162.624       
229.5240 1925.109       387.1240 99.50834 5.494013 89.62095 10.28873 9.887390 
11.66371 
1 1 1 19  -14 7  o 36.31310 7.620990  293.0331       119.4702 209.0965       
143.7995 480.0753       214.6604 29.63423 9.867239 42.99198 11.61704 -13.35776 
15.24198 
1 1 1 19  -14 8  o 60.26056 5.977255  820.5322       148.4817 996.8164       
239.4147 710.3472       189.2801 65.13492 8.755037 55.38620 8.140001 9.748718 
11.95451 
1 1 1 19  -14 9  o 28.24527 8.183125  140.6267       139.8281 198.6427       
272.4315 119.8770       162.9255 31.04192 12.83916 25.44862 10.14938 5.593294 
16.36625 
1 1 1 19  -14 10 o 72.88986 7.071048  1365.154       192.9782 1149.070       
322.3666 1485.837       240.9137 65.28435 12.21394 80.49538 7.128722 -15.21103 
14.14210 
1 1 1 19  -14 11 o 30.05733 8.257954  221.2428       148.5252 181.0656       
247.3428 243.8995       185.7406 29.31691 12.18622 30.79774 11.14770 -1.480829 
16.51591 
1 1 1 19  -14 12 o 45.47161 8.916683  555.5048       166.1485 781.6301       
300.4096 455.8528       199.4262 50.43798 13.79388 40.50525 11.30300 9.932724 
17.83337 
1 1 1 19  -14 13 o 28.16159 8.396073  140.2822       155.8967 312.1115       
289.5765 70.15542       184.9935 32.71549 13.33966 23.60769 10.19949 9.107798 
16.79215 
1 1 1 19  -14 14 o 28.86504 8.227021  197.6493       175.6553 -115.2021      
303.7601 354.8242       215.3046 23.52966 11.21559 34.20041 12.03936 -10.67075 
16.45404 
1 1 1 19  -14 15 o 21.94537 7.258408  -35.44175      158.5266 -140.9874      
294.4093 7.654906       188.1278 22.48094 10.79298 21.40979 9.708219 1.071152 
14.51682 
1 1 1 19  -14 16 o 34.13106 9.498331  362.5221       173.0730 690.7197       
363.6968 266.4431       196.7824 38.90023 15.27377 29.36189 11.29536 9.538343 
18.99666 
1 1 1 19  -14 17 o 24.79016 8.078812  124.0372       172.8550 186.9453       
371.2740 106.6278       195.3142 26.52705 12.53005 23.05327 10.20131 3.473782 
16.15762 
1 1 1 19  -14 18 f 21.15748 7.248363  -37.99797      169.9650 -17.41623      
367.6250 -43.59336      191.6812 23.25452 11.36212 19.06044 9.003181 4.194078 
14.49673 
1 1 1 19  -13 0  o 32.17624 6.986217  224.4984       102.8134 168.3566       
131.7188 312.0383       164.4777 27.92945 9.443669 36.42302 10.29787 -8.493578 
13.97243 
1 1 1 19  -13 1  o 30.97854 6.306703  222.5229       88.10921 266.2637       
119.6198 170.6458       130.2709 33.96506 8.419944 27.99201 9.391622 5.973047 
12.61341 
1 1 1 19  -13 2  o 26.15313 6.898695  122.1410       100.2709 91.86567       
128.6981 168.9067       159.9528 23.63712 9.126024 28.66913 10.34812 -5.032011 
13.79739 
1 1 1 19  -13 3  o 51.07280 5.654695  635.0278       108.6096 794.6281       
141.6711 407.5077       169.1509 60.66189 5.562709 41.48372 9.846754 19.17817 
11.30939 
1 1 1 19  -13 4  o 50.34103 5.049901  539.6215       104.7696 459.5130       
133.5679 667.7333       168.9108 45.71117 6.959867 54.97089 7.318899 -9.259724 
10.09980 
1 1 1 19  -13 5  o 32.74297 6.984999  243.8662       103.3719 193.6531       
134.0822 317.4460       162.3086 29.15878 9.528015 36.32716 10.21655 -7.168388 
13.97000 
1 1 1 19  -13 6  o 42.18673 8.136004  412.2306       138.9579 412.2306       
138.9579 0.000000       0.000000 42.18673 8.136004 ?        ?        ? ? 
1 1 1 19  -13 7  o 80.00200 4.846483  1379.018       158.7088 1608.161       
261.4933 1245.382       199.6958 84.78780 7.345955 75.21620 6.323805 9.571594 
9.692966 
1 1 1 19  -13 8  o 32.93648 7.321423  230.4981       119.7492 422.8868       
188.5613 100.4595       155.0240 41.08115 10.79250 24.79181 9.896206 16.28935 
14.64285 
1 1 1 19  -13 9  o 47.29995 6.541972  511.2165       125.9194 703.5641       
201.2193 387.4092       161.4356 54.97374 8.718372 39.62615 9.756001 15.34759 
13.08394 
1 1 1 19  -13 10 o 22.77583 6.856416  39.59941       117.7888 -47.07873      
183.1885 100.6948       153.7969 21.10005 9.573223 24.45160 9.818104 -3.351549 
13.71283 
1 1 1 19  -13 11 o 52.03806 8.024312  684.5834       167.4127 849.1121       
270.1483 582.0041       213.3099 56.72481 11.74060 47.35130 10.94151 9.373508 
16.04862 
1 1 1 19  -13 12 o 42.11658 9.038194  403.3613       164.2644 837.7534       
319.3477 247.0803       191.5473 53.04996 14.09518 31.18321 11.31732 21.86674 
18.07639 
1 1 1 19  -13 13 o 28.29795 8.411555  121.0226       158.1617 301.8804       
285.7886 41.17469       189.8926 33.28402 13.37578 23.31187 10.20322 9.972149 
16.82311 
1 1 1 19  -13 14 o 55.17384 8.428433  886.9264       180.3266 757.3152       
323.0184 945.6074       217.3475 47.84315 14.68173 62.50454 8.282554 -14.66139 
16.85687 
1 1 1 19  -13 15 f 42.89055 9.567798  548.5591       173.1849 728.4969       
364.2633 496.0066       196.8573 43.83235 15.63643 41.94875 11.03055 1.883602 
19.13560 
1 1 1 19  -13 16 o 31.23835 8.658220  295.7021       164.8341 207.6500       
324.9979 326.1966       191.2590 29.35593 13.05473 33.12078 11.37687 -3.764849 
17.31644 
1 1 1 19  -13 17 f 29.64886 9.050101  250.9377       177.9883 318.5108       
433.4119 237.2298       195.2086 30.76995 14.22459 28.52777 11.19279 2.242188 
18.10020 
1 1 1 19  -13 18 o 35.17113 9.294870  484.8291       179.0300 544.9276       
377.1865 467.3523       203.4022 33.15533 14.44682 37.18693 11.69905 -4.031597 
18.58974 
1 1 1 19  -13 19 o 26.90496 8.048790  256.8959       172.1435 2.454055       
349.9338 338.1278       197.7221 23.35174 11.33603 30.45819 11.42919 -7.106459 
16.09758 
1 1 1 19  -12 0  o 29.87313 6.861233  160.7914       105.2231 48.82352       
136.2090 326.5046       165.7058 22.29186 9.128980 37.45439 10.24538 -15.16253 
13.72247 
1 1 1 19  -12 1  o 33.90008 6.960140  256.5158       102.6667 226.1476       
130.3104 306.2171       166.7070 31.51675 9.249881 36.28341 10.40259 -4.766653 
13.92028 
1 1 1 19  -12 2  o 59.94392 4.732858  795.9634       113.9899 846.2100       
144.8431 714.2075       184.7584 62.79612 5.493968 57.09172 7.708184 5.704399 
9.465716 
1 1 1 19  -12 3  o 63.33824 4.551854  887.9312       116.7052 954.9409       
150.3534 786.3649       185.1056 66.70942 5.368429 59.96706 7.352379 6.742363 
9.103708 
1 1 1 19  -12 4  o 83.88464 3.982064  1540.646       136.3389 1643.984       
177.2897 1391.085       213.2870 87.66933 4.816780 80.09995 6.342395 7.569374 
7.964128 
1 1 1 19  -12 5  o 39.50737 6.259849  379.4789       103.5163 476.3598       
134.6288 239.3659       161.9043 46.68490 6.868829 32.32983 10.46719 14.35506 
12.51970 
1 1 1 19  -12 6  o 98.83232 4.689884  2116.003       192.9675 2280.032       
296.4187 1995.360       254.2120 101.9496 6.925338 95.71500 6.326115 6.234650 
9.379767 
1 1 1 19  -12 7  o 41.06141 9.702559  401.2293       164.8134 0.000000       
0.000000 401.2293       164.8134 ?        ?        41.06141 9.702559 ? ? 
1 1 1 19  -12 8  o 45.94353 6.857266  491.6126       127.8608 637.9183       
196.0753 383.3696       168.6523 52.08049 9.302741 39.80657 10.07707 12.27392 
13.71453 
1 1 1 19  -12 9  o 82.50371 5.118236  1515.619       175.8621 1552.265       
267.1073 1487.578       233.6501 83.08808 7.657167 81.91934 6.793611 1.168739 
10.23647 
1 1 1 19  -12 10 o 27.88405 7.377334  158.3485       121.5195 62.60917       
186.6756 228.7531       160.0822 24.76387 10.45530 31.00423 10.41090 -6.240366 
14.75467 
1 1 1 19  -12 11 o 36.36444 7.902654  338.0726       134.2396 398.8594       
187.6624 274.3756       192.1023 39.51134 10.94466 33.21754 11.40272 6.293804 
15.80531 
1 1 1 19  -12 12 o 35.29884 8.223356  325.5183       141.3141 313.9449       
203.1589 336.3670       196.6946 34.74358 11.72829 35.85410 11.53003 -1.110516 
16.44671 
1 1 1 19  -12 13 f 53.20411 9.093521  783.8328       196.3681 809.0599       
321.8373 768.8716       247.8493 52.23120 14.27428 54.17702 11.27003 -1.945820 
18.18704 
1 1 1 19  -12 14 o 25.84964 8.129137  -6.067702      163.0980 235.0626       
298.9613 -108.2437      194.6093 31.75581 13.31066 19.94347 9.335830 11.81234 
16.25827 
1 1 1 19  -12 15 o 61.54293 8.489820  822.2899       181.4479 1616.940       
407.0114 625.1864       202.7056 74.23044 13.56404 48.85543 10.21396 25.37501 
16.97964 
1 1 1 19  -12 16 o 28.51367 8.394458  189.8917       165.0918 67.34040       
318.7456 234.8206       192.9960 27.31862 12.45737 29.70872 11.25529 -2.390104 
16.78892 
1 1 1 19  -12 17 o 26.96605 8.640434  80.13512       190.5713 251.8050       
358.6166 12.57949       224.9645 30.77599 13.69899 23.15612 10.53405 7.619871 
17.28087 
1 1 1 19  -12 18 o 36.76069 9.967044  356.4128       178.3275 934.3879       
406.7440 218.8790       198.4135 45.47039 16.49279 28.05098 11.19623 17.41941 
19.93409 
1 1 1 19  -12 19 o 21.94086 7.474279  -68.56338      171.4151 51.75986       
344.3402 -108.2045      197.6450 25.13288 11.96353 18.74885 8.962885 6.384031 
14.94856 
1 1 1 19  -12 20 o 21.61819 7.369192  -27.55264      176.0277 -1.731084      
359.1461 -35.71692      201.9476 23.55588 11.45053 19.68050 9.279293 3.875380 
14.73838 
1 1 1 19  -11 0  o 142.1266 4.410102  4290.669       249.3843 4188.759       
305.6718 4493.534       431.2710 140.1278 5.195797 144.1255 7.127390 -3.997696 
8.820204 
1 1 1 19  -11 1  o 37.20319 6.746167  309.9439       104.5140 270.8946       
134.6809 369.0564       165.7063 34.42810 9.156416 39.97829 9.909748 -5.550186 
13.49233 
1 1 1 19  -11 2  f 58.68125 4.923039  720.3365       117.1145 656.3054       
145.1510 839.7760       198.2433 55.23595 6.259204 62.12655 7.600502 -6.890598 
9.846079 
1 1 1 19  -11 3  o 22.38947 6.506803  47.54531       93.72784 45.58167       
114.7656 51.47816       162.4181 20.78082 8.424349 23.99813 9.918885 -3.217304 
13.01361 
1 1 1 19  -11 4  o 71.48055 4.275020  1104.792       123.9009 1120.636       
156.9255 1078.565       201.8970 72.40232 5.162524 70.55878 6.815535 1.843544 
8.550039 
1 1 1 19  -11 5  o 33.30746 7.643792  249.3241       123.8919 198.2889       
177.6401 297.6587       172.8761 30.81381 10.92673 35.80112 10.69190 -4.987310 
15.28758 
1 1 1 19  -11 6  o 42.10374 7.175689  416.6495       125.6169 458.7507       
178.3248 375.1803       176.9811 44.33466 9.839845 39.87281 10.44698 4.461845 
14.35138 
1 1 1 19  -11 7  o 80.81031 5.098579  1423.186       172.3507 1269.262       
234.9703 1602.448       253.5726 76.03500 7.360723 85.58562 7.057039 -9.550629 
10.19716 
1 1 1 19  -11 8  o 26.72544 7.200726  107.7877       123.1014 -49.88794      
189.3923 223.1319       161.9861 22.06938 9.885637 31.38151 10.47263 -9.312122 
14.40145 
1 1 1 19  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -11 10 o 28.27377 7.433454  137.0095       120.0976 266.4281       
189.9191 50.77304       155.0300 33.52113 11.33969 23.02641 9.614382 10.49472 
14.86691 
1 1 1 19  -11 11 o 27.83521 7.416252  134.2867       119.6798 252.8623       
188.9482 54.84186       154.6600 32.63310 11.29837 23.03732 9.609886 9.595776 
14.83250 
1 1 1 19  -11 12 o 62.22128 6.051840  883.5245       156.9765 1038.634       
236.3292 761.0581       209.9937 67.16495 8.380999 57.27760 8.732578 9.887348 
12.10368 
1 1 1 19  -11 13 o 24.91589 7.510480  17.72884       142.8919 -109.2550      
189.1479 186.5414       218.0870 20.01872 9.308885 29.81306 11.78872 -9.794338 
15.02096 
1 1 1 19  -11 14 o 71.73994 7.565446  1151.852       210.4512 1836.701       
380.8022 850.7039       252.5177 85.77033 10.57507 57.70955 10.82182 28.06078 
15.13089 
1 1 1 19  -11 15 o 41.44426 8.789580  240.1751       167.9249 1087.811       
361.9645 7.706937       189.5584 60.34525 14.45550 22.54327 10.00327 37.80198 
17.57916 
1 1 1 19  -11 16 o 34.76590 9.016576  356.4013       182.6523 177.4529       
321.8763 441.3934       221.8270 30.34981 13.28378 39.18198 12.19573 -8.832169 
18.03315 
1 1 1 19  -11 17 o 27.14034 8.423635  122.2008       169.2762 52.52378       
354.2052 142.8248       192.7071 27.97869 12.90559 26.30200 10.82941 1.676687 
16.84727 
1 1 1 19  -11 18 o 27.57874 8.670212  113.4243       171.4895 286.9737       
358.4605 61.91465       195.2874 31.69518 13.94438 23.46231 10.30750 8.232862 
17.34042 
1 1 1 19  -11 19 o 25.53235 8.175748  85.77658       189.4458 -104.8069      
353.2982 162.6910       224.4412 24.46767 11.76534 26.59703 11.35554 -2.129358 
16.35150 
1 1 1 19  -11 20 o 34.48272 9.354544  471.0026       197.5324 384.7582       
360.1518 508.1088       236.2346 31.06856 13.78704 37.89689 12.64703 -6.828333 
18.70909 
1 1 1 19  -11 21 o 25.46566 7.708719  171.1171       182.0546 -615.2852      
434.3127 338.7517       200.5219 20.28193 10.25971 30.64939 11.50808 -10.36746 
15.41744 
1 1 1 19  -10 0  o 128.5936 3.929140  3513.858       205.0009 3473.277       
258.0430 3583.295       337.5408 127.8512 4.807382 129.3361 6.216239 -1.484909 
7.858279 
1 1 1 19  -10 1  o 113.4414 4.393925  2761.817       199.0410 2771.421       
246.5453 2743.842       337.2928 114.0886 5.147254 112.7942 7.122646 1.294426 
8.787850 
1 1 1 19  -10 2  o 120.5171 4.159053  3073.671       194.6970 3019.345       
233.6733 3197.010       352.0936 119.2136 4.668790 121.8206 6.884279 -2.606979 
8.318107 
1 1 1 19  -10 3  o 172.0723 5.071016  6209.054       323.2256 6003.321       
374.6000 6808.598       639.4797 167.7622 5.318567 176.3823 8.635605 -8.620102 
10.14203 
1 1 1 19  -10 4  o 64.41972 4.801575  902.6706       124.3607 923.1715       
156.1498 867.1146       205.6414 65.69107 5.661821 63.14838 7.756563 2.542690 
9.603150 
1 1 1 19  -10 5  o 85.86064 4.433825  1569.569       158.1391 1693.550       
245.3728 1481.486       206.8213 88.62181 6.594880 83.09946 5.928134 5.522346 
8.867650 
1 1 1 19  -10 6  o 21.61113 6.590315  -24.28070      107.3488 71.75552       
176.1850 -80.98395      135.3802 25.49154 10.40145 17.73073 8.095609 7.760815 
13.18063 
1 1 1 19  -10 7  o 68.96536 5.047091  1044.660       144.5724 921.6059       
211.0335 1153.486       198.4581 64.88557 7.746834 73.04515 6.471403 -8.159576 
10.09418 
1 1 1 19  -10 8  o 24.61067 7.196154  52.16219       121.0441 103.0921       
181.5343 11.39252       162.4205 26.79705 10.70513 22.42429 9.619706 4.372755 
14.39231 
1 1 1 19  -10 9  o 32.17910 6.605358  196.5965       126.7935 -149.0373      
193.6350 456.0339       167.7614 20.07076 9.366078 44.28743 9.316629 -24.21667 
13.21072 
1 1 1 19  -10 10 o 89.91558 4.722686  1764.926       177.9755 1824.825       
260.9160 1712.805       243.3879 91.26819 6.809299 88.56297 6.545878 2.705215 
9.445373 
1 1 1 19  -10 11 o 101.2044 4.954775  2239.845       208.5629 2412.165       
321.6662 2114.856       273.9511 104.2853 7.346884 98.12337 6.650000 6.161972 
9.909551 
1 1 1 19  -10 12 o 45.39833 7.107093  513.9201       135.2639 350.0135       
203.9052 642.7328       180.7629 37.46509 11.69899 53.33157 8.073206 -15.86648 
14.21419 
1 1 1 19  -10 13 o 51.28591 6.525323  632.9697       133.6564 550.8381       
205.5543 693.1293       175.9234 47.13782 10.63860 55.43400 7.559070 -8.296185 
13.05065 
1 1 1 19  -10 14 o 30.38493 7.969872  211.3547       135.1499 217.9700       
193.9475 205.1102       188.4335 30.70897 11.35979 30.06089 11.18171 0.6480751 
15.93974 
1 1 1 19  -10 15 o 101.3801 6.205102  2359.063       247.8643 2639.546       
439.9324 2228.620       300.0146 103.8458 10.09062 98.91441 7.224434 4.931396 
12.41020 
1 1 1 19  -10 16 o 37.79912 8.823159  417.9885       168.6207 257.9555       
317.2254 481.0116       199.0733 33.00094 13.76438 42.59729 11.04240 -9.596352 
17.64632 
1 1 1 19  -10 17 o 29.02932 8.466643  181.4261       171.6593 -72.08323      
352.0142 260.5195       196.6226 26.58401 12.46428 31.47463 11.46202 -4.890621 
16.93329 
1 1 1 19  -10 18 o 24.75123 7.900573  36.47231       168.7109 -227.3353      
357.9640 111.8058       191.2889 24.22939 11.69757 25.27307 10.62277 -1.043678 
15.80115 
1 1 1 19  -10 19 o 52.09207 9.032327  895.2114       201.4801 669.2513       
364.2160 994.8505       241.8567 41.67585 15.53697 62.50829 9.215980 -20.83244 
18.06465 
1 1 1 19  -10 20 o 26.28662 8.487527  80.39100       196.5465 196.4280       
341.5834 22.95794       240.3142 28.98144 13.11467 23.59180 10.77766 5.389637 
16.97505 
1 1 1 19  -10 21 o 28.78343 9.468987  36.86311       252.4614 766.5265       
457.7369 -282.1408      302.6583 37.14799 16.04657 20.41888 10.05755 16.72911 
18.93797 
1 1 1 19  -10 22 o 26.43182 8.828762  141.5755       222.9640 541.7215       
430.3793 -5.217611      260.6724 30.92823 14.25077 21.93540 10.42611 8.992838 
17.65752 
1 1 1 19  -9  0  o 44.03678 6.016170  421.7332       105.6275 365.6106       
135.8456 507.5467       167.9788 40.40992 8.292240 47.66364 8.718712 -7.253716 
12.03234 
1 1 1 19  -9  1  o 77.43433 4.658806  1272.173       139.2213 1253.756       
166.3743 1315.193       254.2780 76.80613 5.159546 78.06253 7.758670 -1.256401 
9.317612 
1 1 1 19  -9  2  o 67.23878 3.750713  945.1189       102.2184 900.4363       
127.4711 1025.610       171.0868 65.15405 4.660057 69.32351 5.878372 -4.169464 
7.501426 
1 1 1 19  -9  3  o 92.53325 4.234586  1885.506       154.0500 2008.368       
191.1809 1658.050       260.1257 97.28084 4.680996 87.78566 7.057985 9.495178 
8.469172 
1 1 1 19  -9  4  o 72.49586 5.135953  1133.762       154.6371 1133.056       
236.3792 1134.290       204.4573 72.33163 7.783986 72.66009 6.702359 
-0.3284607     10.27191 
1 1 1 19  -9  5  o 107.6936 4.933373  2360.625       213.2342 2059.950       
259.6062 2984.132       373.8411 97.99639 6.309951 117.3907 7.585328 -19.39433 
9.866746 
1 1 1 19  -9  6  o 116.9636 5.386992  2975.115       262.3808 3030.340       
351.6548 2905.761       394.0845 118.4534 7.071152 115.4738 8.128809 2.979568 
10.77398 
1 1 1 19  -9  7  o 91.66448 5.002025  1781.404       190.5403 2140.171       
294.1947 1522.169       250.0780 99.46537 7.045050 83.86359 7.102695 15.60178 
10.00405 
1 1 1 19  -9  8  o 41.12713 7.437762  391.8391       129.0386 445.2238       
190.4072 346.4959       175.4814 43.67993 10.49763 38.57433 10.53950 5.105602 
14.87552 
1 1 1 19  -9  9  o 100.0386 4.792928  2172.466       199.3271 2151.139       
302.7184 2188.791       264.8449 99.37181 7.255991 100.7053 6.264123 -1.333519 
9.585856 
1 1 1 19  -9  10 o 47.52312 6.976448  513.1367       132.5269 600.8263       
211.4753 456.4277       170.0636 50.67839 10.29754 44.36784 9.415092 6.310551 
13.95290 
1 1 1 19  -9  11 o 46.10843 7.176734  507.1827       134.9847 449.1873       
199.8467 555.8398       183.0515 43.21520 10.98717 49.00165 9.236023 -5.786453 
14.35347 
1 1 1 19  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -9  13 o 103.8002 5.015397  2393.548       209.8542 2367.542       
346.8687 2408.561       263.5604 102.5550 8.056180 105.0454 5.976185 -2.490395 
10.03079 
1 1 1 19  -9  14 o 97.07536 5.223954  2111.282       211.2173 2098.784       
281.6174 2127.354       319.3387 97.13870 6.905391 97.01203 7.840559 0.1266708 
10.44791 
1 1 1 19  -9  15 o 38.89397 8.409541  393.5687       149.6978 401.8748       
200.5139 383.1096       225.0058 39.52089 11.43420 38.26705 12.33453 1.253841 
16.81908 
1 1 1 19  -9  16 o 26.56586 8.211301  67.00912       163.0277 -17.98360      
315.5626 97.95279       190.4059 27.37775 12.46031 25.75398 10.69778 1.623762 
16.42260 
1 1 1 19  -9  17 o 44.71208 9.990192  569.6396       189.4126 656.8702       
414.1513 546.5675       212.9940 43.98518 16.53409 45.43897 11.21783 -1.453789 
19.98038 
1 1 1 19  -9  18 o 28.86115 8.936159  130.8823       190.1867 142.6133       
367.2879 126.5844       222.3123 30.67425 13.75266 27.04806 11.41421 3.626190 
17.87232 
1 1 1 19  -9  19 o 42.13905 10.10196  456.1119       212.8053 1033.020       
389.1806 210.0484       254.1684 54.51348 15.98092 29.76462 12.36157 24.74885 
20.20392 
1 1 1 19  -9  20 o 39.66221 10.28636  517.6786       216.8617 752.1208       
367.6199 392.5520       268.5690 44.31994 15.71852 35.00447 13.27271 9.315472 
20.57272 
1 1 1 19  -9  21 o 25.98359 8.432279  51.00525       219.9580 -326.4084      
417.9232 195.6053       258.6854 23.84128 11.74216 28.12590 12.10516 -4.284620 
16.86456 
1 1 1 19  -9  22 o 25.45512 8.458468  51.99517       236.7225 -107.5993      
369.8677 162.7278       308.0884 24.01946 11.65838 26.89077 12.25826 -2.871309 
16.91694 
1 1 1 19  -9  23 o 27.05313 8.746499  226.2792       212.8735 421.4206       
355.2580 116.9639       265.8947 29.93022 13.46819 24.17603 11.16301 5.754189 
17.49300 
1 1 1 19  -8  0  o 52.89731 5.160845  592.6761       112.3199 566.1782       
143.7452 634.2189       179.9843 51.48895 6.649677 54.30567 7.894244 -2.816723 
10.32169 
1 1 1 19  -8  1  o 55.05206 4.808021  600.6766       106.0402 499.6067       
128.5394 816.0080       187.6199 48.39975 6.325781 61.70437 7.242426 -13.30463 
9.616041 
1 1 1 19  -8  2  o 62.46333 4.486958  781.6460       113.7946 635.1693       
140.8489 1056.970       193.1041 54.58435 6.146194 70.34232 6.538766 -15.75798 
8.973915 
1 1 1 19  -8  3  o 85.92087 4.742679  1580.531       170.4712 1567.259       
251.2614 1591.851       232.0486 85.51437 6.998545 86.32736 6.402530 
-0.8129959     9.485358 
1 1 1 19  -8  4  o 115.8884 4.771965  2871.998       231.9606 2996.263       
336.9683 2760.080       319.7893 118.2535 6.787283 113.5234 6.709648 4.730171 
9.543929 
1 1 1 19  -8  5  o 151.7402 5.641849  4948.762       350.7059 4839.950       
447.4064 5122.172       564.8053 150.0536 7.101937 153.4267 8.768370 -3.373108 
11.28370 
1 1 1 19  -8  6  o 40.08806 6.993218  374.2895       115.7828 321.8127       
185.5428 407.7561       148.1722 37.58641 11.03942 42.58971 8.587879 -5.003296 
13.98644 
1 1 1 19  -8  7  o 64.81444 5.473573  908.5398       148.2217 792.9856       
204.8808 1035.433       214.6980 60.40816 8.078426 69.22071 7.387762 -8.812546 
10.94715 
1 1 1 19  -8  8  o 104.2728 5.227096  2352.968       228.7832 2297.848       
319.9778 2410.618       327.2413 103.0215 7.397978 105.5241 7.386477 -2.502655 
10.45419 
1 1 1 19  -8  9  o 23.90633 7.115622  31.94859       121.9140 -0.1645887     
181.0935 58.56601       164.8710 23.36361 10.09269 24.44905 10.03324 -1.085440 
14.23124 
1 1 1 19  -8  10 o 55.54079 6.628187  705.9306       144.3546 652.5844       
234.4222 738.5153       183.2118 52.85755 10.93418 58.22403 7.495009 -5.366474 
13.25637 
1 1 1 19  -8  11 o 86.31815 5.301542  1583.683       189.3834 1984.348       
296.8894 1308.797       245.9124 95.30193 7.420173 77.33435 7.574064 17.96758 
10.60308 
1 1 1 19  -8  12 o 25.50187 7.141764  51.48851       129.3680 -162.4657      
199.9256 205.6042       169.6803 20.20501 9.459018 30.79873 10.70262 -10.59372 
14.28353 
1 1 1 19  -8  13 o 70.66101 5.458995  1067.777       158.9770 1336.622       
255.9123 898.8276       202.8701 77.58165 7.856937 63.74038 7.580966 13.84127 
10.91799 
1 1 1 19  -8  14 o 49.51595 10.91996  597.3165       220.9111 597.3165       
220.9111 0.000000       0.000000 49.51595 10.91996 ?        ?        ? ? 
1 1 1 19  -8  15 f 137.3479 5.903387  4297.959       327.6184 4269.018       
537.9438 4315.022       413.0571 135.4656 9.458647 139.2302 7.066393 -3.764618 
11.80677 
1 1 1 19  -8  16 o 70.64110 5.849040  1124.556       171.5601 1005.707       
223.2985 1295.784       268.0247 66.35565 8.015471 74.92654 8.520406 -8.570885 
11.69808 
1 1 1 19  -8  17 o 37.75310 9.973744  372.2104       202.0589 458.9242       
361.4291 332.7871       243.6999 39.85665 15.31382 35.64954 12.78238 4.207104 
19.94749 
1 1 1 19  -8  18 o 25.75927 8.332867  -44.84367      207.0714 -313.8444      
361.8703 86.12223       252.4965 24.25242 11.71881 27.26612 11.84973 -3.013699 
16.66573 
1 1 1 19  -8  19 o 48.93245 10.35665  755.9113       227.1986 749.9867       
377.3021 759.2816       284.5778 46.71801 15.98312 51.14689 13.17502 -4.428883 
20.71331 
1 1 1 19  -8  20 o 36.05631 9.775675  415.4866       216.3742 247.9629       
395.0296 487.2896       258.6205 32.36478 14.39274 39.74785 13.23270 -7.383068 
19.55135 
1 1 1 19  -8  21 o 30.67909 9.360126  241.6881       213.7041 263.5600       
360.9387 229.8820       265.1811 31.49081 13.90997 29.86737 12.52840 1.623446 
18.72025 
1 1 1 19  -8  22 o 26.54489 8.651341  -3.207979      198.8565 383.5438       
371.9344 -158.0160      235.3135 32.92849 14.34695 20.16129 9.672009 12.76719 
17.30268 
1 1 1 19  -8  23 o 29.07813 8.947347  258.0342       190.6756 337.3686       
363.4943 227.9168       223.9628 30.36069 13.64480 27.79557 11.57754 2.565128 
17.89469 
1 1 1 19  -8  24 o 21.55123 7.255068  -15.58941      177.5223 -156.9432      
323.8542 45.12763       212.2516 21.40061 10.51145 21.70185 10.00267 
-0.3012409     14.51014 
1 1 1 19  -7  0  o 193.0082 5.907461  7969.908       428.6618 7926.497       
504.3286 8082.898       813.6489 193.0578 6.222248 192.9586 10.04370 
0.9915161E-01  11.81492 
1 1 1 19  -7  1  o 94.97004 4.730713  1987.109       176.0628 2125.493       
218.1238 1728.382       298.2498 100.1625 5.187034 89.77763 7.912854 10.38483 
9.461426 
1 1 1 19  -7  2  o 39.89495 6.687542  368.5053       109.3366 415.1192       
140.1797 296.0969       174.7116 43.32916 8.007119 36.46074 10.71349 6.868423 
13.37508 
1 1 1 19  -7  3  o 100.3555 4.468070  2145.597       188.2003 2098.172       
266.9787 2192.442       265.3397 99.23225 6.408330 101.4788 6.227993 -2.246506 
8.936140 
1 1 1 19  -7  4  o 35.77846 7.843035  282.5692       129.9814 295.5070       
181.7286 269.0178       185.9884 36.43181 10.97887 35.12510 11.20344 1.306705 
15.68607 
1 1 1 19  -7  5  o 23.12585 6.859073  29.04697       110.2458 1.843853       
180.2724 45.29897       139.3391 23.63828 10.13734 22.61342 9.242397 1.024855 
13.71815 
1 1 1 19  -7  6  o 47.38358 6.823885  486.7886       133.2504 676.8543       
203.4287 343.9579       176.3483 55.88109 8.670984 38.88608 10.53924 16.99501 
13.64777 
1 1 1 19  -7  7  o 36.01511 7.779560  277.4201       134.2715 411.5791       
195.8275 158.3858       184.4590 42.32273 10.94302 29.70748 11.06059 12.61525 
15.55912 
1 1 1 19  -7  8  o 116.6176 4.385380  2900.143       214.1020 3039.371       
317.4276 2783.936       289.9998 119.1239 6.346975 114.1112 6.053276 5.012749 
8.770761 
1 1 1 19  -7  9  o 90.97270 4.984772  1777.793       189.9165 1875.320       
280.8599 1695.632       257.7862 93.21951 7.176355 88.72590 6.920387 4.493614 
9.969544 
1 1 1 19  -7  10 o 87.45071 5.049309  1645.976       184.4695 1725.946       
277.3609 1582.543       247.0249 89.25229 7.401963 85.64914 6.869718 3.603149 
10.09862 
1 1 1 19  -7  11 o 33.80165 6.463348  205.6510       133.9961 -237.2222      
206.5480 527.4918       176.0767 19.39645 9.246159 48.20686 9.033717 -28.81040 
12.92670 
1 1 1 19  -7  12 o 70.79058 5.299943  1105.845       155.4055 991.4998       
231.1376 1200.180       209.9415 67.14729 8.199042 74.43388 6.718133 -7.286591 
10.59989 
1 1 1 19  -7  13 o 37.71679 7.452101  342.9320       137.5075 114.1585       
211.1618 511.3725       181.1907 28.44544 11.47006 46.98814 9.516982 -18.54270 
14.90420 
1 1 1 19  -7  14 o 93.01627 5.702118  1913.195       222.0845 2105.917       
326.8931 1747.993       302.6553 97.38885 7.994984 88.64368 8.132455 8.745178 
11.40424 
1 1 1 19  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -7  16 o 88.59370 5.545217  1766.393       205.8466 1783.254       
301.0732 1751.592       282.0765 88.80971 8.074819 88.37769 7.602304 0.4320145 
11.09043 
1 1 1 19  -7  17 o 57.85807 7.883293  779.2958       175.9290 658.4297       
213.1534 1037.587       311.5981 51.93687 10.13711 63.77928 12.07577 -11.84241 
15.76659 
1 1 1 19  -7  18 o 44.28748 10.25860  566.9344       215.9224 571.4744       
366.9900 564.5307       267.0329 43.43051 15.67464 45.14445 13.23862 -1.713947 
20.51719 
1 1 1 19  -7  19 o 29.79192 9.279204  112.7776       223.6776 127.7234       
340.0599 101.3803       296.9586 30.60990 13.51373 28.97393 12.71981 1.635965 
18.55841 
1 1 1 19  -7  20 o 44.65324 10.08107  581.4136       204.5445 785.0133       
351.5057 477.1734       251.5137 48.98634 15.37307 40.32015 13.04533 8.666183 
20.16214 
1 1 1 19  -7  21 o 31.00819 8.911687  250.5972       182.6287 69.69931       
374.6483 306.9810       209.1628 28.93946 13.31903 33.07692 11.84382 -4.137465 
17.82337 
1 1 1 19  -7  22 o 30.43824 9.204335  205.2504       182.8377 402.0101       
373.0738 143.0535       209.7544 34.46877 14.67599 26.40772 11.11280 8.061056 
18.40867 
1 1 1 19  -7  23 o 37.60108 9.249647  497.1708       184.4053 403.6136       
349.1568 533.3625       217.1634 33.42756 14.21417 41.77460 11.83982 -8.347042 
18.49929 
1 1 1 19  -7  24 o 28.53217 8.693196  184.5824       175.4350 500.4448       
321.0146 50.07255       209.4850 34.49434 14.05177 22.57000 10.23887 11.92434 
17.38639 
1 1 1 19  -7  25 o 26.43355 8.359233  230.9041       189.0859 234.9319       
296.2121 228.1340       245.6460 26.51926 12.07029 26.34784 11.56785 0.1714230 
16.71847 
1 1 1 19  -6  0  o 46.05837 6.066587  492.2210       109.0190 577.7805       
139.7207 359.0638       174.3047 52.14462 6.382229 39.97213 10.31897 12.17248 
12.13317 
1 1 1 19  -6  1  o 93.77155 4.574058  1978.446       165.7337 2208.802       
206.0474 1556.282       278.9382 102.2211 4.801177 85.32202 7.786959 16.89906 
9.148116 
1 1 1 19  -6  2  o 162.1929 5.057873  5591.027       337.0060 5521.250       
432.8875 5698.381       536.9453 161.1645 6.397741 163.2213 7.835637 -2.056763 
10.11575 
1 1 1 19  -6  3  o 64.68373 4.882073  852.8187       129.4267 1085.303       
213.0826 716.9026       162.9248 71.33614 7.114748 58.03133 6.687220 13.30480 
9.764146 
1 1 1 19  -6  4  o 53.79169 6.790225  648.6988       145.2103 365.9561       
199.4521 967.6019       211.8225 40.30965 11.32176 67.27373 7.499765 -26.96408 
13.58045 
1 1 1 19  -6  5  o 50.83088 6.175076  535.6564       125.0209 464.3184       
153.9703 673.7123       214.1926 45.81319 8.311204 55.84857 9.135103 -10.03538 
12.35015 
1 1 1 19  -6  6  o 84.92758 4.744703  1542.003       167.2904 1520.793       
255.3157 1557.959       221.4505 84.30640 7.213367 85.54877 6.165724 -1.242363 
9.489406 
1 1 1 19  -6  7  o 104.7544 4.703123  2346.147       206.6277 2404.513       
288.1924 2284.405       296.4124 106.1458 6.466972 103.3630 6.830500 2.782814 
9.406245 
1 1 1 19  -6  8  o 34.13830 7.617773  224.3904       130.3035 404.3063       
198.1703 87.35795       172.9480 42.01806 11.07581 26.25854 10.46175 15.75952 
15.23555 
1 1 1 19  -6  9  o 90.00134 4.399585  1684.491       160.5349 1911.121       
270.6549 1561.486       199.3967 94.37769 6.830738 85.62500 5.546748 8.752693 
8.799170 
1 1 1 19  -6  10 o 85.13301 5.276153  1546.487       181.7615 1636.143       
303.5060 1496.350       226.9624 86.73821 8.334467 83.52781 6.472081 3.210403 
10.55231 
1 1 1 19  -6  11 f 23.76407 7.229095  -1.577958      132.2726 -84.64391      
203.2111 59.48941       174.2370 22.45073 10.13970 25.07741 10.30659 -2.626682 
14.45819 
1 1 1 19  -6  12 o 100.8824 4.939367  2163.718       201.2993 2337.015       
338.9489 2069.288       250.2029 103.5893 7.793641 98.17548 6.070302 5.413811 
9.878735 
1 1 1 19  -6  13 o 72.48682 5.417466  1135.744       162.3525 1212.332       
255.8676 1084.127       210.0541 74.30803 8.201637 70.66562 7.080175 3.642410 
10.83493 
1 1 1 19  -6  14 o 80.36696 4.913435  1364.058       163.1579 1168.317       
209.4495 1666.154       260.2018 73.31226 6.804933 87.42165 7.089448 -14.10938 
9.826871 
1 1 1 19  -6  15 o 33.33132 7.033319  220.2206       125.5223 455.9633       
181.1421 2.455628       174.0982 43.93941 10.03547 22.72323 9.856955 21.21618 
14.06664 
1 1 1 19  -6  16 o 140.7050 7.023658  4570.746       412.9941 4584.784       
559.6129 4553.955       612.0236 141.5905 9.414006 139.8194 10.42610 1.771179 
14.04732 
1 1 1 19  -6  17 o 43.89180 11.11358  478.6637       205.0988 478.6637       
205.0988 0.000000       0.000000 43.89180 11.11358 ?        ?        ? ? 
1 1 1 19  -6  18 o 30.50272 8.664596  148.2376       164.5206 66.29408       
203.8119 301.4943       278.7287 25.62894 10.87768 35.37649 13.48989 -9.747551 
17.32919 
1 1 1 19  -6  19 o 38.68541 9.683725  338.1620       178.3457 635.5670       
351.1578 234.7836       207.0348 45.88035 15.41942 31.49047 11.71920 14.38988 
19.36745 
1 1 1 19  -6  20 o 25.38199 8.187184  -9.355768      173.4345 -18.77445      
342.8754 -6.117351      201.0516 27.88036 12.79381 22.88362 10.21951 4.996742 
16.37437 
1 1 1 19  -6  21 o 58.19102 9.376302  1058.021       211.1169 807.6382       
417.6377 1143.962       244.6810 47.21589 16.75293 69.16616 8.426118 -21.95028 
18.75260 
1 1 1 19  -6  22 o 26.50624 8.313509  87.16978       179.8130 -100.3562      
358.4746 150.2159       207.8532 25.96094 12.28596 27.05153 11.20326 -1.090593 
16.62702 
1 1 1 19  -6  23 f 31.24579 9.078706  278.4537       188.7169 223.7088       
340.6217 302.7007       226.6890 30.40458 13.46083 32.08700 12.18596 -1.682417 
18.15741 
1 1 1 19  -6  24 o 36.73082 9.659750  409.7278       198.5435 791.4567       
339.9256 212.0713       244.6030 45.14653 15.17081 28.31512 11.96200 16.83141 
19.31950 
1 1 1 19  -6  25 o 23.34695 7.744197  9.499356       190.2501 -55.85373      
254.0912 92.88654       287.0160 21.68813 10.30151 25.00577 11.56587 -3.317642 
15.48839 
1 1 1 19  -6  26 o 25.27743 8.312556  139.6198       213.2247 357.3047       
321.7206 -30.90222      284.7443 28.66074 12.86008 21.89412 10.53626 6.766626 
16.62511 
1 1 1 19  -5  0  o 65.97312 4.620366  981.1038       116.0113 1081.269       
141.9287 779.4485       201.3798 71.54522 4.725096 60.40102 7.941321 11.14420 
9.240731 
1 1 1 19  -5  1  o 56.24939 4.976214  683.7291       110.9634 706.5845       
137.4598 640.9760       188.0038 57.75569 5.668941 54.74310 8.180094 3.012596 
9.952428 
1 1 1 19  -5  2  o 100.8558 4.848900  2155.387       204.8609 2360.271       
299.7873 1975.893       280.5978 105.3501 6.777966 96.36150 6.935884 8.988571 
9.697800 
1 1 1 19  -5  3  o 174.6850 5.541726  6518.001       406.3023 6472.931       
566.8856 6565.611       582.6345 174.0956 7.755839 175.2744 7.917693 -1.178864 
11.08345 
1 1 1 19  -5  4  o 145.4815 4.837559  4520.284       292.0738 4391.126       
444.5101 4618.412       387.4528 143.4844 7.379010 147.4785 6.257646 -3.994156 
9.675118 
1 1 1 19  -5  5  o 74.19720 5.358332  1178.423       166.4361 1272.332       
234.4617 1083.034       236.3014 77.24068 7.230143 71.15372 7.910242 6.086952 
10.71666 
1 1 1 19  -5  6  o 50.65012 6.375278  585.6011       128.1081 759.9312       
176.2988 390.5682       186.4735 59.69848 7.034075 41.60176 10.63478 18.09672 
12.75056 
1 1 1 19  -5  7  o 53.98627 6.484171  639.1124       142.9825 630.3179       
211.8546 646.4695       193.7692 53.13841 9.865739 54.83414 8.416952 -1.695724 
12.96834 
1 1 1 19  -5  8  o 125.5484 4.442268  3128.926       212.0913 2851.417       
247.0161 3907.452       413.7363 115.9942 5.072361 135.1026 7.294254 -19.10845 
8.884537 
1 1 1 19  -5  9  o 88.54131 5.488588  1663.407       201.8410 1837.953       
314.2766 1540.868       263.3268 92.34561 8.106192 84.73701 7.401895 7.608597 
10.97718 
1 1 1 19  -5  10 o 70.73578 5.925606  1104.953       170.8895 818.9574       
243.6019 1382.072       239.7917 61.23831 9.474985 80.23325 7.118701 -18.99494 
11.85121 
1 1 1 19  -5  11 o 85.65111 5.291861  1540.460       183.6217 1743.851       
309.9214 1430.445       227.9355 89.64583 8.234602 81.65638 6.648796 7.989449 
10.58372 
1 1 1 19  -5  12 o 92.67233 5.034262  1790.385       191.1890 2143.607       
314.8031 1583.959       240.6556 99.51970 7.534441 85.82497 6.678876 13.69473 
10.06852 
1 1 1 19  -5  13 o 20.63265 6.705113  -117.7426      131.9281 -128.3208      
205.0268 -110.2676      172.3484 21.50656 9.879128 19.75874 9.068463 1.747822 
13.41023 
1 1 1 19  -5  14 o 47.24401 7.037887  510.7059       135.1109 593.0090       
200.5892 442.3544       182.7987 50.85325 9.742778 43.63477 10.15902 7.218483 
14.07577 
1 1 1 19  -5  15 o 35.72484 7.696533  290.0920       130.0028 393.6599       
186.9580 193.1324       180.8952 40.81435 10.75764 30.63534 11.00998 10.17901 
15.39307 
1 1 1 19  -5  16 o 69.60184 5.763545  1085.585       165.6743 876.9025       
235.1729 1291.193       233.4345 62.49864 8.962680 76.70504 7.248736 -14.20640 
11.52709 
1 1 1 19  -5  17 f 55.37072 7.012276  722.5404       156.0360 956.4236       
224.9378 505.6087       216.6329 65.34250 8.199506 45.39894 11.37788 19.94356 
14.02455 
1 1 1 19  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -5  19 o 27.65580 8.406673  78.03268       174.2187 -207.9978      
361.0923 164.8183       198.9005 26.42763 12.44517 28.88397 11.30515 -2.456335 
16.81335 
1 1 1 19  -5  20 o 28.73193 8.802289  88.12252       175.4122 186.5060       
340.6413 52.61990       204.6286 32.51900 13.94008 24.94485 10.75152 7.574152 
17.60458 
1 1 1 19  -5  21 o 30.51461 9.175978  80.92042       181.4732 443.8381       
365.3264 -37.96650      209.0952 38.56918 15.25568 22.46003 10.20090 16.10915 
18.35196 
1 1 1 19  -5  22 o 27.38801 8.730645  50.72264       193.4034 139.4661       
361.9331 15.25505       228.8106 30.52745 13.67030 24.24856 10.86368 6.278885 
17.46129 
1 1 1 19  -5  23 o 23.94226 8.014974  -118.7463      209.9584 -51.72984      
321.8386 -168.3997      277.0269 25.58627 11.98239 22.29825 10.64808 3.288019 
16.02995 
1 1 1 19  -5  24 o 33.17278 9.715386  348.6853       222.9643 415.7058       
311.3696 278.1531       319.4229 35.02422 14.00867 31.32132 13.46522 3.702900 
19.43077 
1 1 1 19  -5  25 o 34.40925 13.29911  -153.3412      228.8321 -1485.681      
417.9529 417.0196       273.4606 ?        ?        34.40925 13.29911 ? ? 
1 1 1 19  -5  26 f 26.00948 8.478184  125.3127       217.8765 307.2329       
317.4604 -36.67609      299.5654 29.08536 12.92087 22.93360 10.98041 6.151756 
16.95637 
1 1 1 19  -5  27 o 21.34035 7.361821  -99.19914      214.2230 -91.06995      
320.8549 -105.7376      287.7549 21.76380 10.62935 20.91690 10.18836 0.8468990 
14.72364 
1 1 1 19  -4  0  o 67.22270 3.727415  985.9445       101.5072 1111.754       
133.1319 811.2493       156.8794 72.58615 4.368672 61.85926 6.040629 10.72689 
7.454830 
1 1 1 19  -4  1  o 40.88641 6.686729  372.5738       111.9160 367.1715       
149.1066 379.5440       169.3688 40.60387 8.985748 41.16894 9.904832 
-0.5650711     13.37346 
1 1 1 19  -4  2  o 85.00655 5.067162  1538.415       180.5876 1434.696       
253.5661 1645.173       257.2528 82.06635 7.359481 87.94675 6.967249 -5.880394 
10.13432 
1 1 1 19  -4  3  o 63.93017 5.426322  872.1183       144.9814 983.0091       
207.9131 767.1627       202.2726 67.93703 7.289475 59.92331 8.040115 8.013718 
10.85264 
1 1 1 19  -4  4  o 145.9486 4.670900  4533.996       285.6471 4725.766       
397.7182 4329.684       410.5178 149.2086 6.348961 142.6887 6.852730 6.519928 
9.341800 
1 1 1 19  -4  5  o 85.36787 4.416271  1545.634       156.2251 1553.117       
241.3234 1540.236       204.9721 85.47143 6.725113 85.26431 5.725963 0.2071228 
8.832541 
1 1 1 19  -4  6  o 72.73114 4.816994  1125.484       147.0593 1119.555       
209.7022 1131.221       206.2864 72.53207 6.886426 72.93021 6.737275 
-0.3981323     9.633988 
1 1 1 19  -4  7  o 117.9522 5.075566  2963.458       249.0358 2984.480       
379.1714 2947.510       330.2539 118.1995 7.640837 117.7049 6.683045 0.4945984 
10.15113 
1 1 1 19  -4  8  o 85.77353 5.145066  1567.882       185.1111 1655.201       
268.0389 1488.261       255.9524 88.05784 7.250216 83.48921 7.302137 4.568626 
10.29013 
1 1 1 19  -4  9  o 101.2214 4.996956  2229.204       207.6425 1941.311       
315.5203 2449.140       275.7778 95.13093 7.899991 107.3119 6.121146 -12.18092 
9.993913 
1 1 1 19  -4  10 o 48.60423 7.591321  536.6199       150.3633 534.5043       
223.0672 538.3818       203.5608 48.40179 11.19204 48.80667 10.25918 
-0.4048843     15.18264 
1 1 1 19  -4  11 o 89.61873 4.853269  1719.513       182.0961 1894.871       
261.1755 1553.633       254.0191 94.12831 6.608962 85.10914 7.109043 9.019173 
9.706537 
1 1 1 19  -4  12 o 65.26206 5.896884  886.0588       156.6492 1081.567       
263.6737 779.4105       194.7430 70.44563 8.915257 60.07850 7.720827 10.36713 
11.79377 
1 1 1 19  -4  13 o 106.7474 4.828876  2433.408       215.2668 2283.059       
287.0623 2626.592       325.3945 103.0817 6.633089 110.4132 7.019567 -7.331551 
9.657753 
1 1 1 19  -4  14 o 36.54810 7.919257  303.2097       137.3403 205.3991       
198.9056 392.3327       189.8667 32.01579 11.54119 41.08042 10.84709 -9.064625 
15.83851 
1 1 1 19  -4  15 o 26.13359 7.477623  78.62278       128.8350 29.40580       
183.8752 126.0864       180.5703 24.42733 10.34799 27.83985 10.79715 -3.412519 
14.95525 
1 1 1 19  -4  16 o 31.62649 7.062977  167.4147       126.8082 -56.44192      
174.6808 416.8201       184.3797 21.16625 9.487186 42.08672 10.46594 -20.92047 
14.12595 
1 1 1 19  -4  17 o 36.05316 7.214289  284.5109       140.8283 -21.70568      
208.6730 540.6310       190.8419 24.01743 10.59686 48.08888 9.792370 -24.07145 
14.42858 
1 1 1 19  -4  18 o 37.58307 7.857632  345.1360       143.7697 167.9182       
215.6384 486.9486       192.8989 30.14299 11.77668 45.02314 10.40574 -14.88015 
15.71526 
1 1 1 19  -4  19 o 57.91550 7.305946  801.9585       173.2468 856.5213       
242.5697 745.1453       247.5213 60.74755 9.511058 55.08346 11.09266 5.664085 
14.61189 
1 1 1 19  -4  20 o 67.00298 8.532237  940.1198       217.2957 1799.637       
420.9153 627.8188       253.7196 84.97289 11.79873 49.03308 12.32827 35.93982 
17.06447 
1 1 1 19  -4  21 o 57.00603 10.14854  875.0158       235.0726 1161.054       
399.3087 723.3079       290.8046 62.97165 15.24504 51.04041 13.40002 11.93124 
20.29708 
1 1 1 19  -4  22 o 33.84100 9.834864  146.1671       227.9163 624.4702       
390.0763 -101.7617      280.8416 43.45578 16.10323 24.22622 11.29532 19.22957 
19.66973 
1 1 1 19  -4  23 o 33.84233 9.748900  308.9324       216.2377 377.4861       
329.9931 257.3448       286.2611 35.65230 14.35416 32.03236 13.19554 3.619934 
19.49780 
1 1 1 19  -4  24 o 26.15341 8.393519  32.08788       204.7010 -93.51815      
306.3409 133.4160       275.1469 24.38070 11.47588 27.92611 12.25189 -3.545408 
16.78704 
1 1 1 19  -4  25 o 39.83195 9.795255  427.1567       227.0724 1045.554       
372.6983 62.09038       286.3583 53.67438 15.60813 25.98952 11.83953 27.68485 
19.59051 
1 1 1 19  -4  26 o 22.80576 7.744509  -121.3521      214.6831 -46.19969      
314.0108 -187.3096      294.1746 24.03816 11.43393 21.57335 10.44868 2.464804 
15.48902 
1 1 1 19  -4  27 o 22.08173 7.576792  -100.3938      219.5820 -120.7869      
321.7907 -82.62356      300.3849 22.10247 10.76730 22.06100 10.66285 
0.4146576E-01  15.15358 
1 1 1 19  -4  28 o 25.20324 7.987116  163.2391       193.4668 -137.2175      
312.4633 350.0359       246.3729 21.05809 10.33734 29.34839 12.17849 -8.290302 
15.97423 
1 1 1 19  -3  0  o 136.3206 4.722541  4057.191       256.8843 4349.818       
324.2219 3563.703       421.0400 143.3907 5.385705 129.2506 7.759108 14.14003 
9.445082 
1 1 1 19  -3  1  o 105.1119 4.026737  2297.945       174.6535 2559.536       
279.1356 2129.646       223.8951 109.8816 6.050778 100.3421 5.314745 9.539497 
8.053473 
1 1 1 19  -3  2  o 91.75529 4.017576  1771.144       151.5512 1727.525       
194.3699 1838.781       242.0378 90.39790 5.121437 93.11270 6.191491 -2.714806 
8.035152 
1 1 1 19  -3  3  o 156.0648 5.975126  5212.532       390.4899 5193.386       
572.4196 5229.196       534.0473 155.6874 8.757537 156.4422 8.131055 
-0.7547455     11.95025 
1 1 1 19  -3  4  o 87.75421 4.402984  1637.767       161.7789 1536.783       
232.1790 1733.062       225.5451 85.07716 6.500266 90.43127 5.940674 -5.354118 
8.805967 
1 1 1 19  -3  5  o 115.5135 4.405252  2826.021       210.7771 2858.663       
326.6107 2802.724       275.9260 115.9881 6.707151 115.0388 5.713066 0.9492416 
8.810505 
1 1 1 19  -3  6  o 90.01675 4.424729  1694.715       159.7303 1802.021       
272.8687 1638.777       197.0123 92.02174 7.062921 88.01177 5.331796 4.009964 
8.849458 
1 1 1 19  -3  7  o 73.10136 4.903562  1125.568       149.6472 982.4794       
201.2294 1302.614       223.8374 67.93833 7.055009 78.26438 6.812234 -10.32605 
9.807124 
1 1 1 19  -3  8  o 77.81917 5.021387  1287.771       163.6866 1320.852       
240.8762 1259.388       223.1181 78.71600 7.288733 76.92233 6.908813 1.793663 
10.04277 
1 1 1 19  -3  9  o 70.68378 5.613899  1090.733       159.8323 736.2410       
223.5529 1461.432       228.6059 58.47926 9.105412 82.88830 6.569241 -24.40904 
11.22780 
1 1 1 19  -3  10 o 29.32342 7.950687  111.5191       139.1922 222.2890       
215.0919 31.70849       182.5758 33.78067 12.01902 24.86617 10.41138 8.914499 
15.90137 
1 1 1 19  -3  11 f 104.2415 4.396424  2293.521       188.4433 2216.381       
241.3552 2413.974       301.5980 102.1505 5.627781 106.3325 6.755905 -4.181999 
8.792848 
1 1 1 19  -3  12 o 34.15092 7.884538  208.6386       141.7641 417.9938       
214.0611 45.08525       189.2019 42.70202 11.62868 25.59982 10.65071 17.10219 
15.76908 
1 1 1 19  -3  13 o 63.76786 5.984753  875.0328       159.2399 948.1813       
241.9732 819.1532       211.4907 66.03268 8.728293 61.50305 8.190601 4.529625 
11.96951 
1 1 1 19  -3  14 o 92.42378 4.627276  1815.524       178.5594 2013.561       
270.4139 1662.419       237.7667 96.81396 6.652918 88.03361 6.433150 8.780350 
9.254552 
1 1 1 19  -3  15 o 91.25137 4.899089  1769.862       186.0009 1600.906       
243.8807 2004.786       287.5771 86.19139 6.739608 96.31135 7.112101 -10.11996 
9.798178 
1 1 1 19  -3  16 o 46.06752 8.010070  504.1477       153.7044 459.3324       
230.4179 540.0777       206.3154 43.94652 12.10805 48.18853 10.49000 -4.242004 
16.02014 
1 1 1 19  -3  17 o 73.90720 5.231663  1200.956       160.7991 1263.029       
217.0133 1125.387       239.4467 76.27181 6.777092 71.54258 7.971965 4.729233 
10.46333 
1 1 1 19  -3  18 o 65.35173 6.338832  928.1627       163.6414 1347.180       
258.4865 647.9039       211.3984 78.02891 7.890480 52.67455 9.922878 25.35435 
12.67766 
1 1 1 19  -3  19 o 58.72347 7.276062  822.6662       169.7817 1142.072       
245.3165 529.0180       235.2170 71.37329 8.186760 46.07365 12.03085 25.29964 
14.55212 
1 1 1 19  -3  20 f 30.86392 9.406396  26.17933       223.0510 312.3983       
357.6083 -156.0751      285.3629 37.28460 14.97112 24.44325 11.39239 12.84135 
18.81279 
1 1 1 19  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -3  22 o 32.53239 9.539797  125.4747       219.1810 482.5785       
356.9945 -90.57519      277.6779 40.44724 15.31246 24.61754 11.38242 15.82970 
19.07959 
1 1 1 19  -3  23 o 66.65632 9.616611  1250.380       264.7433 1499.690       
386.7859 1030.621       363.1390 74.85557 12.30744 58.45707 14.77985 16.39850 
19.23322 
1 1 1 19  -3  24 o 24.20605 8.004894  -87.08015      202.1230 -123.8630      
314.7711 -61.27232      263.6621 24.57798 11.58741 23.83411 11.04741 0.7438679 
16.00979 
1 1 1 19  -3  25 o 22.58490 7.618320  -160.9842      195.9015 -57.82628      
307.3026 -231.6069      254.2653 24.85566 11.65246 20.31414 9.817092 4.541519 
15.23664 
1 1 1 19  -3  26 o 19.55107 9.416656  -430.2196      202.3921 -1314.615      
435.0900 -186.0041      228.6349 ?        ?        19.55107 9.416656 ? ? 
1 1 1 19  -3  27 o 22.00296 7.446904  -94.80441      191.3923 -156.6294      
326.9328 -62.56838      236.0735 22.67596 10.99205 21.32995 10.04989 1.346012 
14.89381 
1 1 1 19  -3  28 f 22.22259 7.438214  -4.519720      189.4553 -192.6527      
313.5590 103.6519       237.7625 20.87144 10.28094 23.57374 10.75223 -2.702303 
14.87643 
1 1 1 19  -2  0  o 24.01964 8.512811  107.6603       107.8085 107.6603       
107.8085 0.000000       0.000000 24.01964 8.512811 ?        ?        ? ? 
1 1 1 19  -2  1  o 125.1192 5.107072  3269.509       263.7036 3669.025       
421.6491 3012.857       337.9531 131.1700 7.656629 119.0685 6.760530 12.10156 
10.21414 
1 1 1 19  -2  2  o 152.8789 4.512626  4948.172       288.8213 4809.100       
391.7775 5113.732       427.4612 150.5791 6.197205 155.1787 6.561236 -4.599609 
9.025252 
1 1 1 19  -2  3  o 104.7755 5.083553  2348.930       222.3239 2104.738       
318.7984 2580.133       310.2046 99.35212 7.642933 110.1989 6.704896 -10.84676 
10.16711 
1 1 1 19  -2  4  o 121.7679 4.831752  3135.374       245.3834 3017.324       
326.2420 3289.160       372.3628 119.2104 6.518488 124.3254 7.133905 -5.115074 
9.663504 
1 1 1 19  -2  5  o 49.00031 6.540445  531.5142       129.6008 513.9917       
182.6070 549.2986       183.9669 48.14645 9.368185 49.85417 9.129446 -1.707722 
13.08089 
1 1 1 19  -2  6  o 65.34077 5.134727  901.0685       140.0697 1045.837       
208.3324 781.6429       189.2207 70.11162 7.077631 60.56994 7.441021 9.541679 
10.26945 
1 1 1 19  -2  7  o 23.58563 6.895766  39.15955       110.3935 -31.24370      
184.7376 78.26334       137.6792 23.07334 10.08157 24.09792 9.411078 -1.024574 
13.79153 
1 1 1 19  -2  8  o 102.3368 4.969416  2220.543       211.8849 2291.363       
322.1396 2166.543       281.2970 103.6948 7.399597 100.9787 6.635236 2.716156 
9.938832 
1 1 1 19  -2  9  o 47.03170 6.566098  476.4601       126.5262 314.4503       
169.0064 683.0500       190.8479 37.54007 10.38152 56.52333 8.042307 -18.98326 
13.13220 
1 1 1 19  -2  10 o 61.52844 5.788225  825.9812       146.4828 702.1314       
218.8790 926.4498       197.1385 57.12391 9.126563 65.93298 7.121800 -8.809067 
11.57645 
1 1 1 19  -2  11 o 31.09531 7.693330  186.4843       124.8901 139.8383       
172.9980 237.2536       180.4823 28.65296 10.70281 33.53765 11.05437 -4.884689 
15.38666 
1 1 1 19  -2  12 o 137.4541 5.586971  4093.010       301.7966 3948.324       
523.6820 4164.958       369.2876 135.0574 9.235709 139.8509 6.289566 -4.793427 
11.17394 
1 1 1 19  -2  13 o 31.11716 7.771408  189.9183       123.9615 194.9181       
202.6475 186.9288       156.6987 32.04876 11.63972 30.18556 10.30029 1.863195 
15.54282 
1 1 1 19  -2  14 o 58.22399 6.044237  733.6594       147.5001 696.5726       
201.6037 776.3785       216.3717 56.66187 8.474787 59.78611 8.620277 -3.124249 
12.08847 
1 1 1 19  -2  15 o 108.5133 5.277105  2544.548       240.2901 2648.871       
341.2515 2441.956       338.4095 110.7709 7.337871 106.2557 7.585974 4.515198 
10.55421 
1 1 1 19  -2  16 o 88.31525 5.218032  1699.303       192.2314 1528.943       
277.0655 1857.428       266.9303 83.83365 7.872001 92.79686 6.851499 -8.963211 
10.43606 
1 1 1 19  -2  17 o 94.70839 5.285663  1934.823       209.2041 1757.145       
280.3496 2158.091       314.2654 89.86617 7.430615 99.55061 7.519235 -9.684441 
10.57133 
1 1 1 19  -2  18 o 74.97718 4.850175  1219.754       152.5251 1288.914       
221.2059 1157.071       210.5915 77.00572 6.842185 72.94864 6.876141 4.057083 
9.700351 
1 1 1 19  -2  19 o 111.3260 5.491192  2747.313       254.6072 2801.113       
341.7721 2680.222       381.6589 112.9450 7.207596 109.7069 8.286333 3.238113 
10.98238 
1 1 1 19  -2  20 o 73.46155 6.602279  1152.874       196.6428 875.0800       
244.8737 1657.311       329.9771 61.76308 9.443529 85.16002 9.229307 -23.39693 
13.20456 
1 1 1 19  -2  21 o 34.47458 8.789293  243.8950       178.1747 463.6244       
256.1936 38.05872       247.9620 42.07343 13.10859 26.87574 11.71203 15.19768 
17.57859 
1 1 1 19  -2  22 o 53.57098 10.53029  728.7988       241.8880 1238.854       
424.0580 482.8015       294.4976 65.45481 15.62538 41.68716 14.12075 23.76765 
21.06058 
1 1 1 19  -2  23 o 37.45178 9.284079  367.5535       202.5524 100.6294       
300.7470 589.1425       274.0196 29.29309 12.83067 45.61048 13.42201 -16.31739 
18.56816 
1 1 1 19  -2  24 o 44.89975 9.544936  622.2585       204.6527 448.0801       
330.0056 731.1059       260.8755 38.29925 14.65682 51.50024 12.23114 -13.20099 
19.08987 
1 1 1 19  -2  25 f 40.36651 9.634659  407.4453       196.6049 882.1237       
348.0207 184.9511       238.2674 51.81575 15.08735 28.91726 11.98660 22.89849 
19.26932 
1 1 1 19  -2  26 f 50.41905 10.35903  853.8743       223.5918 917.8809       
427.9231 829.8374       262.2357 47.10194 16.93326 53.73616 11.93745 -6.634224 
20.71806 
1 1 1 19  -2  27 o 21.65612 7.407992  -215.9916      191.9971 11.80047       
316.4057 -348.7522      241.5515 25.39342 11.89006 17.91881 8.839675 7.474604 
14.81598 
1 1 1 19  -2  28 o 24.39277 7.956496  35.78514       188.3993 235.8272       
291.0352 -108.5099      247.1785 28.05814 12.42965 20.72740 9.936148 7.330740 
15.91299 
1 1 1 19  -2  29 o 24.63891 7.988038  153.5411       186.7763 144.7397       
279.9537 160.6013       250.7379 24.61548 11.39962 24.66233 11.19302 
-0.4685593E-01 15.97608 
1 1 1 19  -1  0  o 98.44815 4.130572  2061.463       169.7264 1968.473       
250.5732 2140.296       230.7135 96.33188 6.195633 100.5644 5.464489 -4.232552 
8.261145 
1 1 1 19  -1  1  o 105.5471 4.426753  2364.870       196.0481 2413.088       
274.5682 2314.719       280.0199 106.6682 6.131068 104.4260 6.387062 2.242203 
8.853505 
1 1 1 19  -1  2  o 187.3572 5.347236  7461.702       416.2545 7330.837       
548.4597 7639.488       639.2638 185.6191 7.037899 189.0952 8.052311 -3.476120 
10.69447 
1 1 1 19  -1  3  o 90.93703 4.309001  1732.141       162.3749 1882.913       
254.7436 1628.967       210.7318 94.17533 6.442986 87.69872 5.723451 6.476608 
8.618002 
1 1 1 19  -1  4  o 27.29744 6.902898  71.15701       117.5243 273.8394       
170.3151 -113.0736      162.3776 35.35865 10.62310 19.23622 8.817585 16.12243 
13.80580 
1 1 1 19  -1  5  o 35.56153 7.584864  276.6112       122.6094 287.7310       
175.1318 265.9217       171.7106 36.17782 10.75271 34.94525 10.70046 1.232571 
15.16973 
1 1 1 19  -1  6  o 83.21387 4.806100  1465.392       166.3408 1427.223       
219.4648 1516.921       254.9963 82.00764 6.374287 84.42008 7.194641 -2.412437 
9.612200 
1 1 1 19  -1  7  o 74.42421 5.263667  1178.580       163.8689 1046.604       
227.3069 1321.392       236.4550 70.04881 7.729171 78.79961 7.147355 -8.750801 
10.52733 
1 1 1 19  -1  8  o 63.28260 5.378478  852.4634       142.6840 877.4457       
208.6331 830.5113       195.5709 64.13387 7.748485 62.43134 7.461440 1.702538 
10.75696 
1 1 1 19  -1  9  o 137.2929 5.458182  4019.759       314.1949 4307.298       
449.5290 3745.126       439.3242 142.1437 7.532706 132.4420 7.900970 9.701736 
10.91636 
1 1 1 19  -1  10 o 140.9562 5.840468  4288.477       340.9517 3983.696       
515.2171 4525.944       454.7764 136.2084 9.009641 145.7041 7.434423 -9.495682 
11.68094 
1 1 1 19  -1  11 o 96.43957 5.139808  1975.936       205.7728 1937.128       
270.3254 2029.403       317.2997 95.42047 6.747865 97.45866 7.754794 -2.038193 
10.27962 
1 1 1 19  -1  12 f 71.34180 5.861036  1057.707       172.0832 1408.058       
269.1756 815.5477       223.7869 81.08991 7.906604 61.59369 8.654052 19.49623 
11.72207 
1 1 1 19  -1  13 o 77.59756 5.327048  1307.574       170.1551 1584.550       
239.3363 1024.499       241.9565 86.20141 6.613255 68.99372 8.353122 17.20769 
10.65410 
1 1 1 19  -1  14 o 71.76796 5.351195  1086.838       159.5812 971.5947       
208.2650 1250.718       248.3550 67.28487 7.372588 76.25105 7.757970 -8.966171 
10.70239 
1 1 1 19  -1  15 o 92.47096 5.321516  1849.443       205.4682 1764.515       
302.3498 1922.320       280.0783 90.34517 7.971240 94.59676 7.052196 -4.251587 
10.64303 
1 1 1 19  -1  16 o 114.3022 5.307009  2849.808       231.7109 2760.837       
422.9797 2887.955       276.9655 112.3030 8.971176 116.3014 5.672335 -3.998421 
10.61402 
1 1 1 19  -1  17 o 134.7953 7.442049  4110.090       406.4319 4264.243       
518.9486 3865.527       653.6474 139.3056 8.873133 130.2850 11.95006 9.020508 
14.88410 
1 1 1 19  -1  18 o 81.49070 5.426143  1442.100       184.7094 1657.419       
270.7102 1254.537       252.6601 87.26792 7.388752 75.71348 7.948489 11.55444 
10.85229 
1 1 1 19  -1  19 o 87.93848 4.703413  1674.679       173.2612 1616.292       
235.8092 1743.183       255.4208 86.34064 6.505288 89.53632 6.794823 -3.195686 
9.406826 
1 1 1 19  -1  20 o 67.82158 5.747597  1062.349       156.2865 1229.715       
205.4961 832.7259       240.7001 75.09312 6.518153 60.55004 9.468536 14.54309 
11.49519 
1 1 1 19  -1  21 o 39.21549 9.298938  382.9603       181.7272 322.4049       
254.0737 446.3893       260.0321 36.66650 13.06111 41.76448 13.23965 -5.097984 
18.59788 
1 1 1 19  -1  22 o 43.71444 8.738347  501.5981       178.3649 683.5416       
245.9870 299.8819       259.0086 52.10371 11.55064 35.32517 13.11555 16.77855 
17.47669 
1 1 1 19  -1  23 o 38.00496 9.651331  381.5795       191.7398 417.6960       
314.6753 360.2517       241.8148 39.01570 14.46227 36.99422 12.78419 2.021484 
19.30266 
1 1 1 19  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  -1  25 f 30.65009 9.052176  207.0000       197.4026 54.47104       
353.1968 276.2901       238.0543 28.89118 13.15802 32.40900 12.43520 -3.517818 
18.10435 
1 1 1 19  -1  26 o 30.38374 9.180245  214.8780       202.8310 123.2809       
380.4825 251.2427       239.7362 29.86981 13.61795 30.89768 12.31499 -1.027864 
18.36049 
1 1 1 19  -1  27 o 48.95081 10.06279  473.2183       226.8508 1843.021       
486.2525 92.14107       256.4717 71.88546 16.45859 26.01616 11.58248 45.86930 
20.12558 
1 1 1 19  -1  28 o 28.35623 8.827910  202.5202       205.4695 134.2923       
293.4529 268.1382       287.7854 26.85936 12.15495 29.85310 12.80567 -2.993742 
17.65582 
1 1 1 19  -1  29 o 22.73158 7.614316  -45.07718      196.9848 -229.1213      
270.3141 163.3311       287.6505 19.57937 9.612546 25.88379 11.81144 -6.304420 
15.22863 
1 1 1 19  -1  30 o 24.75331 8.146043  142.7531       208.2979 2.705162       
293.9589 283.9866       295.2005 22.38611 10.75649 27.12053 12.23642 -4.734419 
16.29209 
1 1 1 19  0   0  o 61.95629 5.170738  817.4964       134.4470 812.2986       
187.3125 823.0200       193.0927 61.76406 7.223573 62.14852 7.400415 
-0.3844604     10.34148 
1 1 1 19  0   1  o 83.90176 3.873964  1458.200       134.3536 1320.703       
172.6207 1669.483       213.9827 79.02539 5.202920 88.77813 5.741081 -9.752739 
7.747928 
1 1 1 19  0   2  o 86.23224 4.821548  1582.279       174.2359 1698.075       
247.1379 1467.842       245.6822 89.40871 6.583859 83.05576 7.045715 6.352943 
9.643096 
1 1 1 19  0   3  o 41.78307 6.868792  390.4147       118.3147 381.9370       
166.4093 399.0810       168.2503 41.31565 9.740951 42.25050 9.686851 
-0.9348564     13.73758 
1 1 1 19  0   4  o 99.39991 4.434546  2098.897       182.1388 2110.266       
237.8528 2082.780       283.2096 99.82208 5.675481 98.97774 6.815403 0.8443451 
8.869093 
1 1 1 19  0   5  o 131.4486 5.509525  3674.259       303.0955 3528.468       
409.7013 3850.516       450.4780 128.6349 7.586293 134.2624 7.991722 -5.627457 
11.01905 
1 1 1 19  0   6  f 40.44808 6.804915  366.4680       112.6023 372.0247       
146.3256 358.3994       176.3248 40.90570 8.773637 39.99047 10.40436 0.9152298 
13.60983 
1 1 1 19  0   7  o 59.74655 5.494062  761.5613       137.7084 762.2203       
198.6373 760.9516       191.0807 59.75290 7.918134 59.74019 7.618532 
0.1271057E-01  10.98812 
1 1 1 19  0   8  o 49.28904 6.378301  527.2391       127.6961 513.8720       
167.7885 545.6382       196.8528 49.04010 8.149519 49.53798 9.814084 
-0.4978752     12.75660 
1 1 1 19  0   9  o 139.6796 5.434189  4082.776       297.9934 4382.067       
532.4501 3946.275       359.5830 142.9729 8.870464 136.3864 6.279848 6.586456 
10.86838 
1 1 1 19  0   10 o 100.7895 5.326550  2164.182       225.3240 2109.480       
314.0520 2222.214       323.4691 99.48047 7.519428 102.0985 7.546305 -2.618057 
10.65310 
1 1 1 19  0   11 o 162.2010 5.798009  5646.232       376.2711 5560.741       
633.6710 5692.793       467.6407 160.7830 9.387388 163.6190 6.807686 -2.836060 
11.59602 
1 1 1 19  0   12 o 37.72709 7.434853  296.9506       147.7807 -16.39971      
220.5186 552.3998       199.1051 25.67419 11.11462 49.77998 9.877921 -24.10580 
14.86971 
1 1 1 19  0   13 o 124.5154 4.924005  3197.809       233.3071 3059.088       
274.1246 3562.373       444.3900 120.1493 5.434351 128.8816 8.212862 -8.732231 
9.848009 
1 1 1 19  0   14 o 75.47035 5.306479  1194.207       165.5995 1531.537       
253.6709 943.6862       218.6077 84.63335 7.139210 66.30736 7.852805 18.32599 
10.61296 
1 1 1 19  0   15 o 88.71133 5.371640  1667.520       196.7956 1823.182       
312.7152 1565.449       253.2265 91.94735 8.100854 85.47532 7.056502 6.472031 
10.74328 
1 1 1 19  0   16 o 25.18222 7.793806  -40.92139      159.9176 39.73409       
223.8765 -124.9501      228.5101 27.18752 11.46277 23.17691 10.56308 4.010612 
15.58761 
1 1 1 19  0   17 o 76.94676 6.051621  1293.272       194.7906 1430.689       
277.8053 1160.370       273.2034 81.10529 8.158541 72.78824 8.940173 8.317055 
12.10324 
1 1 1 19  0   18 o 83.55360 5.568892  1507.449       186.6273 1475.736       
231.1195 1566.878       316.3831 82.73726 6.653599 84.36996 8.931956 -1.632698 
11.13778 
1 1 1 19  0   19 o 44.86392 7.983842  457.5435       149.6424 355.3800       
193.3691 610.0720       236.2732 38.90850 11.21944 50.81934 11.36183 -11.91085 
15.96768 
1 1 1 19  0   20 f 32.40485 7.448403  240.6469       128.4527 39.97124       
217.9691 347.4229       158.9954 26.31818 11.21210 38.49152 9.808347 -12.17334 
14.89681 
1 1 1 19  0   21 o 79.72282 6.027739  1426.825       201.6254 1433.475       
280.7846 1419.745       289.7074 80.01427 8.358473 79.43137 8.687374 0.5828934 
12.05548 
1 1 1 19  0   22 o 50.31060 9.024669  650.2657       191.1915 619.8503       
269.7517 680.9688       271.0239 48.99000 12.92624 51.63120 12.59726 -2.641193 
18.04934 
1 1 1 19  0   23 o 30.80394 9.048067  158.5943       192.3566 160.2876       
280.8050 157.0973       264.0354 31.07821 12.95550 30.52966 12.63428 0.5485420 
18.09613 
1 1 1 19  0   24 o 79.51019 7.799952  1612.318       243.1414 1377.505       
376.2940 1780.621       318.5762 71.86295 12.94444 87.15744 8.706225 -15.29449 
15.59990 
1 1 1 19  0   25 o 30.58687 12.67286  195.5857       266.1401 0.000000       
0.000000 195.5857       266.1401 ?        ?        30.58687 12.67286 ? ? 
1 1 1 19  0   26 o 55.18005 11.04751  947.8652       255.8567 1219.202       
445.1454 814.0027       312.6632 58.76202 17.04820 51.59807 14.05521 7.163948 
22.09502 
1 1 1 19  0   27 o 38.74451 10.21674  474.6315       204.1479 623.0646       
412.0247 426.3354       235.0250 40.05048 16.07479 37.43854 12.61461 2.611942 
20.43348 
1 1 1 19  0   28 f 24.72101 8.002191  -156.8438      215.3632 -696.0189      
318.8639 295.4325       292.0400 18.09937 9.126102 31.34265 13.14741 -13.24328 
16.00438 
1 1 1 19  0   29 o 25.75098 8.311700  96.52979       199.8958 2.681174       
270.6110 209.2384       296.5582 23.50500 11.00408 27.99697 12.45984 -4.491966 
16.62340 
1 1 1 19  0   30 o 22.06710 7.566703  -69.32887      215.7143 -9.083556      
275.2208 -165.2894      347.3489 22.25241 10.62312 21.88179 10.77818 0.3706245 
15.13341 
1 1 1 19  1   0  o 60.07913 4.128262  762.4776       103.8973 837.6330       
151.1721 695.1985       143.0315 62.88712 5.725731 57.27115 5.948629 5.615971 
8.256524 
1 1 1 19  1   1  o 125.4525 4.746924  3341.329       249.8857 3200.007       
347.9230 3491.898       359.1268 122.7059 6.753651 128.1990 6.672433 -5.493080 
9.493849 
1 1 1 19  1   2  o 98.35113 4.228656  2031.535       171.0635 1960.638       
219.1467 2142.108       273.6822 96.25923 5.422676 100.4430 6.490047 -4.183792 
8.457312 
1 1 1 19  1   3  o 69.99684 4.203946  1009.193       121.6972 1281.994       
190.2879 820.3899       158.3041 77.78912 5.826576 62.20456 6.061654 15.58457 
8.407891 
1 1 1 19  1   4  o 30.18225 7.306746  170.6978       115.3497 260.2266       
166.7534 88.55067       159.7312 34.55630 10.53753 25.80821 10.12495 8.748087 
14.61349 
1 1 1 19  1   5  o 87.63412 4.346637  1573.856       151.0436 1470.852       
182.8234 1795.338       268.0844 83.39517 5.221700 91.87308 6.950314 -8.477905 
8.693274 
1 1 1 19  1   6  o 33.01978 7.783986  226.0505       126.7799 202.5981       
185.9893 246.4056       173.2731 32.10243 11.20042 33.93713 10.81260 -1.834694 
15.56797 
1 1 1 19  1   7  o 258.5180 7.364842  14449.11       798.2025 14482.43       
1100.935 14412.19       1158.956 259.0392 10.12319 257.9968 10.69975 1.042450 
14.72968 
1 1 1 19  1   8  o 139.0075 5.608607  4133.603       326.6540 3925.823       
468.5236 4330.131       455.6620 135.5106 8.235295 142.5044 7.616153 -6.993759 
11.21721 
1 1 1 19  1   9  o 90.14095 5.177924  1736.846       195.1119 1826.701       
268.5724 1636.422       283.9272 92.69093 6.901528 87.59097 7.720913 5.099960 
10.35585 
1 1 1 19  1   10 o 71.21089 5.419340  1080.583       161.2339 1089.075       
240.5104 1073.652       217.2917 71.41177 8.022046 71.01003 7.288606 0.4017410 
10.83868 
1 1 1 19  1   11 o 31.88708 7.600077  150.7200       135.0195 371.2268       
203.4507 -22.83645      180.4964 40.73119 11.43291 23.04298 10.01665 17.68822 
15.20015 
1 1 1 19  1   12 o 40.96074 7.290339  368.6407       125.4419 298.5075       
166.9357 459.6071       190.1201 36.65127 10.37842 45.27021 10.24131 -8.618942 
14.58068 
1 1 1 19  1   13 o 98.02788 4.324650  1985.574       173.8018 2286.668       
284.8315 1806.964       219.3764 103.7142 6.541404 92.34159 5.658659 11.37257 
8.649300 
1 1 1 19  1   14 o 123.7336 4.910165  3167.830       238.5361 3537.428       
429.8178 3003.333       286.7468 128.4914 7.967671 118.9757 5.740654 9.515686 
9.820330 
1 1 1 19  1   15 o 110.2265 5.438953  2606.559       251.6911 2627.353       
357.5645 2586.136       354.3472 110.6608 7.696293 109.7921 7.687388 0.8686829 
10.87791 
1 1 1 19  1   16 o 111.4582 5.200962  2692.217       240.4391 2867.345       
323.1965 2475.167       359.8067 115.7846 6.648701 107.1317 7.999675 8.652931 
10.40192 
1 1 1 19  1   17 o 85.99495 4.863616  1597.624       174.2839 1493.575       
257.2256 1685.929       236.9680 83.24988 7.359557 88.74003 6.360500 -5.490150 
9.727232 
1 1 1 19  1   18 o 75.08584 5.800649  1225.115       182.6542 1166.508       
251.3554 1290.690       265.8803 73.19514 8.179504 76.97653 8.227139 -3.781387 
11.60130 
1 1 1 19  1   19 o 50.74097 7.258474  592.1329       150.1093 545.3515       
229.5802 627.0671       198.3918 48.12509 11.50247 53.35684 8.856350 -5.231747 
14.51695 
1 1 1 19  1   20 o 75.95277 5.359027  1270.727       169.3550 1420.823       
235.6085 1110.278       243.5996 80.87387 6.939111 71.03166 8.168564 9.842209 
10.71805 
1 1 1 19  1   21 o 23.96006 7.657433  -92.16272      163.1420 -165.8711      
215.5385 6.709103       249.6334 21.07673 9.853392 26.84340 11.72415 -5.766672 
15.31487 
1 1 1 19  1   22 o 41.94128 9.867003  447.0560       203.1632 457.6959       
280.3999 435.2975       294.7709 42.39411 13.77862 41.48846 14.12730 0.9056473 
19.73401 
1 1 1 19  1   23 o 57.43195 8.989160  843.5167       207.8866 860.3911       
329.0705 832.3094       268.1779 56.88442 13.88205 57.97947 11.42403 -1.095047 
17.97832 
1 1 1 19  1   24 o 35.26576 9.286974  310.8966       188.3606 193.0348       
310.3648 379.6219       236.9978 32.47364 13.58408 38.05788 12.66745 -5.584240 
18.57395 
1 1 1 19  1   25 o 54.27814 8.467698  765.2417       188.4297 996.1627       
285.2480 586.4606       250.9872 62.24596 11.33460 46.31031 12.58310 15.93565 
16.93540 
1 1 1 19  1   26 o 44.45906 10.92489  652.2528       250.4464 611.0953       
408.4173 677.0560       317.0536 42.21373 16.26576 46.70440 14.58898 -4.490677 
21.84979 
1 1 1 19  1   27 o 38.14465 15.83385  509.7489       416.6809 509.7489       
416.6809 0.000000       0.000000 38.14465 15.83385 ?        ?        ? ? 
1 1 1 19  1   28 o 31.15528 9.229514  223.1173       225.0696 -74.02670      
334.0563 470.1292       304.5755 25.18591 11.89250 37.12465 14.11752 -11.93875 
18.45903 
1 1 1 19  1   29 o 27.28644 8.620407  143.8419       200.2461 90.64805       
269.0465 209.9043       299.8292 25.73337 11.64232 28.83951 12.71622 -3.106136 
17.24081 
1 1 1 19  1   30 o 26.02205 8.419805  134.8596       206.0141 38.04424       
277.1451 254.4204       307.9849 23.77321 11.13081 28.27090 12.63636 -4.497696 
16.83961 
1 1 1 19  1   31 o 28.82573 7.659718  305.9604       157.4075 -76.14590      
312.7849 435.5505       182.1544 21.82635 10.62971 35.82511 11.03152 -13.99876 
15.31944 
1 1 1 19  2   0  o 30.99846 7.131986  181.4443       113.2508 308.6161       
165.6896 69.93555       155.1510 37.22568 10.27238 24.77124 9.896420 12.45444 
14.26397 
1 1 1 19  2   1  o 94.91885 4.471914  1920.306       177.2209 2126.916       
248.8022 1707.517       252.4951 100.1885 5.915038 89.64923 6.708532 10.53924 
8.943829 
1 1 1 19  2   2  o 27.05486 6.427301  126.8319       101.3655 -65.18184      
161.7684 250.9621       130.0667 20.47960 9.155850 33.63012 9.022815 -13.15052 
12.85460 
1 1 1 19  2   3  f 182.8091 6.594991  7174.140       505.7902 7289.406       
731.6907 7068.655       699.9550 184.1529 9.463898 181.4653 9.187505 2.687592 
13.18998 
1 1 1 19  2   4  o 108.2177 4.072104  2474.139       182.8658 2440.754       
240.2534 2520.115       281.9433 107.4210 5.327231 109.0145 6.160253 -1.593529 
8.144207 
1 1 1 19  2   5  o 159.6577 6.224710  5439.992       416.0560 5764.012       
617.4216 5170.473       563.1064 163.9310 8.971018 155.3844 8.631855 8.546646 
12.44942 
1 1 1 19  2   6  o 109.3642 3.999538  2532.487       183.5942 2525.484       
256.6805 2539.823       262.7073 109.2191 5.597774 109.5092 5.714029 
-0.2901382     7.999075 
1 1 1 19  2   7  o 96.78523 4.333845  1988.514       173.8869 1974.804       
267.4010 1998.560       228.8918 96.41595 6.605950 97.15452 5.611619 
-0.7385712     8.667690 
1 1 1 19  2   8  o 51.26672 5.334219  558.2072       114.5720 595.0054       
168.7932 526.7681       156.0183 52.82030 7.611588 49.71313 7.475246 3.107166 
10.66844 
1 1 1 19  2   9  o 29.67593 7.463046  142.9503       129.1081 -23.07081      
194.0938 274.7089       172.9098 23.91388 10.39103 35.43798 10.71516 -11.52410 
14.92609 
1 1 1 19  2   10 o 36.29553 7.372284  271.2084       136.6385 37.83709       
197.9740 483.5036       188.8228 26.07432 10.87441 46.51675 9.957386 -20.44242 
14.74457 
1 1 1 19  2   11 o 65.31966 5.320461  847.8911       140.5868 1167.299       
241.2833 683.7168       172.9844 73.97097 7.769392 56.66836 7.270886 17.30261 
10.64092 
1 1 1 19  2   12 o 26.04045 7.467448  38.42277       131.7900 -57.33098      
179.3989 150.6785       194.2434 21.95392 9.737920 30.12697 11.32361 -8.173054 
14.93490 
1 1 1 19  2   13 o 156.3038 6.171077  5231.953       397.3614 5203.580       
514.2648 5273.989       625.9655 156.0935 7.847351 156.5140 9.526166 
-0.4205322     12.34215 
1 1 1 19  2   14 o 177.3258 7.332715  6655.330       468.5707 6506.719       
536.8162 7130.877       960.2784 174.6576 7.320812 179.9940 12.70750 -5.336456 
14.66543 
1 1 1 19  2   15 o 139.8227 6.342791  4220.338       364.0920 4244.018       
469.4480 4184.594       576.7742 140.7099 7.946647 138.9356 9.888113 1.774353 
12.68558 
1 1 1 19  2   16 o 26.09761 7.943960  -21.29791      161.7821 79.52106       
226.8049 -125.7336      230.8372 28.76966 11.78060 23.42556 10.66037 5.344105 
15.88792 
1 1 1 19  2   17 o 126.8484 5.718965  3447.921       303.1152 3197.445       
405.1949 3766.209       456.7624 121.7293 7.928479 131.9676 8.244117 -10.23827 
11.43793 
1 1 1 19  2   18 o 45.87857 7.395325  514.5209       156.3880 147.2807       
237.8036 794.3821       207.5939 31.26488 12.32675 60.49226 8.174023 -29.22738 
14.79065 
1 1 1 19  2   19 o 34.17654 8.315135  217.5154       150.5245 390.4077       
231.2592 90.42498       198.2748 40.94661 12.39415 27.40646 11.08833 13.54016 
16.63027 
1 1 1 19  2   20 o 47.11043 7.790668  519.0457       150.8356 537.8101       
225.8175 503.9293       202.6807 47.74089 11.40604 46.47997 10.61510 1.260929 
15.58134 
1 1 1 19  2   21 o 26.08731 7.268278  54.77759       131.1308 216.3927       
180.6336 -125.2898      190.6668 31.68738 11.03966 20.48723 9.457128 11.20014 
14.53656 
1 1 1 19  2   22 o 51.43253 8.894328  654.9437       190.3958 674.7265       
278.9878 637.6979       260.4843 52.02180 12.83592 50.84325 12.31566 1.178555 
17.78866 
1 1 1 19  2   23 o 35.12043 7.902759  297.5716       156.1674 -28.20880      
265.7397 469.4371       193.0137 26.29928 11.74689 43.94158 10.57474 -17.64231 
15.80552 
1 1 1 19  2   24 o 32.69918 8.633484  123.6950       176.7543 502.7332       
285.1913 -112.7090      225.2279 43.17480 13.88354 22.22355 10.26623 20.95125 
17.26697 
1 1 1 19  2   25 o 33.82661 8.798576  255.3640       169.7166 429.1142       
257.6290 122.1518       225.5819 39.70572 13.20731 27.94750 11.62871 11.75821 
17.59715 
1 1 1 19  2   26 o 27.59048 8.349667  102.5964       171.8211 151.9695       
254.3959 61.18082       232.9954 29.17867 12.25669 26.00230 11.34201 3.176363 
16.69933 
1 1 1 19  2   27 o 26.94083 8.906100  -46.25219      237.6066 -14.93290      
405.5776 -62.61882      293.1889 28.87134 13.50477 25.01033 11.61446 3.861006 
17.81220 
1 1 1 19  2   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  2   29 o 34.05302 9.713754  302.2357       227.4317 701.8961       
356.6567 28.35086       295.2493 42.54420 15.44273 25.56183 11.78771 16.98237 
19.42751 
1 1 1 19  2   30 o 22.86886 7.644146  -63.20012      194.1146 47.83706       
281.6847 -163.6166      267.8746 24.75833 11.45391 20.97939 10.12619 3.778944 
15.28829 
1 1 1 19  2   31 f 24.44699 7.756997  138.5118       154.3233 115.4008       
318.9484 145.5762       176.3391 25.00578 11.75246 23.88821 10.12738 1.117569 
15.51399 
1 1 1 19  3   0  o 114.6654 4.367511  2788.691       210.0612 2798.428       
291.2007 2778.127       303.3123 114.9001 6.036606 114.4307 6.313477 0.4694748 
8.735022 
1 1 1 19  3   1  o 67.40556 4.782961  966.6766       134.1654 807.5494       
186.6237 1136.889       193.0146 61.60022 7.216153 73.21090 6.279649 -11.61068 
9.565922 
1 1 1 19  3   2  o 56.97837 5.182027  689.1769       123.7339 634.5828       
170.4070 750.0607       179.9556 54.58658 7.435711 59.37015 7.219683 -4.783569 
10.36405 
1 1 1 19  3   3  o 207.1218 7.608577  9270.695       661.0945 9800.907       
948.9180 8770.636       921.5406 212.9539 10.61364 201.2898 10.90470 11.66408 
15.21715 
1 1 1 19  3   4  o 126.4113 4.551689  3380.913       240.6537 3502.390       
358.6901 3281.467       324.5382 128.4238 6.652652 124.3988 6.213994 4.025047 
9.103378 
1 1 1 19  3   5  o 56.40681 5.667469  687.0721       129.1314 850.4311       
188.2697 541.9513       177.4491 63.22923 7.092244 49.58440 8.841995 13.64483 
11.33494 
1 1 1 19  3   6  o 93.78148 4.604600  1878.621       180.0735 1663.459       
258.1978 2082.388       251.2683 88.44712 6.953283 99.11584 6.038313 -10.66872 
9.209200 
1 1 1 19  3   7  o 106.2523 4.297725  2393.906       191.5350 2399.365       
265.3741 2387.970       276.7251 106.4023 5.940573 106.1023 6.212193 0.3000717 
8.595449 
1 1 1 19  3   8  o 73.01222 5.116167  1119.860       155.7694 1294.155       
236.5801 986.4760       206.9615 77.96089 7.228073 68.06355 7.242625 9.897339 
10.23233 
1 1 1 19  3   9  o 118.6436 4.534309  2969.283       224.9960 3207.061       
336.6679 2777.372       302.4590 122.8849 6.525657 114.4024 6.297272 8.482536 
9.068618 
1 1 1 19  3   10 o 76.11673 5.077092  1255.554       159.1978 1033.493       
233.0023 1449.980       218.0228 69.56595 7.977826 82.66750 6.281860 -13.10155 
10.15418 
1 1 1 19  3   11 o 158.4392 6.498692  5370.176       431.4843 5805.640       
631.5237 4988.908       590.9197 164.4586 9.146485 152.4199 9.234382 12.03865 
12.99738 
1 1 1 19  3   12 o 77.95145 4.490959  1285.966       144.3619 1271.162       
186.8817 1307.871       227.3263 77.47288 5.745638 78.43002 6.903803 
-0.9571457     8.981918 
1 1 1 19  3   13 o 27.16747 7.750027  71.19082       139.4341 142.3716       
179.8684 -35.99768      220.7231 29.15048 10.90838 25.18445 11.01176 3.966034 
15.50005 
1 1 1 19  3   14 o 128.2083 5.932684  3519.398       318.1432 3526.464       
470.7114 3513.456       431.6650 128.2176 8.744361 128.1989 8.020170 
0.1870728E-01  11.86537 
1 1 1 19  3   15 o 44.81896 7.874251  438.0251       147.3623 581.1080       
230.1444 338.5992       191.8476 50.72395 11.11137 38.91398 11.16032 11.80997 
15.74850 
1 1 1 19  3   16 o 59.17059 7.156538  764.3113       171.8418 958.2589       
256.4809 606.3323       231.4795 66.59206 9.173893 51.74911 10.98653 14.84296 
14.31308 
1 1 1 19  3   17 o 112.9628 5.445533  2745.103       257.9973 2622.417       
366.4347 2865.708       363.3119 110.3863 7.906834 115.5393 7.489813 -5.153030 
10.89107 
1 1 1 19  3   18 o 45.75607 7.486158  507.3214       158.7677 146.2623       
241.8028 780.9507       210.5007 31.49017 12.42540 60.02197 8.353420 -28.53179 
14.97232 
1 1 1 19  3   19 o 49.75043 7.850508  581.1293       159.8012 489.7131       
236.9268 657.4233       216.4454 45.69330 12.14086 53.80756 9.955976 -8.114265 
15.70102 
1 1 1 19  3   20 o 88.52513 5.287827  1652.981       193.3764 1984.583       
309.0656 1439.655       247.8932 95.52458 7.706488 81.52567 7.242548 13.99891 
10.57565 
1 1 1 19  3   21 o 39.59934 8.435144  356.7719       153.6246 480.1780       
232.5143 261.1639       204.6578 44.79238 12.08466 34.40630 11.77148 10.38608 
16.87029 
1 1 1 19  3   22 o 26.81655 7.429680  -25.62495      146.4130 295.5470       
216.7273 -295.2614      198.5794 35.85540 12.11362 17.77770 8.605866 18.07770 
14.85936 
1 1 1 19  3   23 f 37.82935 9.184311  342.6895       174.9394 355.2150       
270.1635 333.6455       229.5676 38.41079 13.48973 37.24791 12.46729 1.162872 
18.36862 
1 1 1 19  3   24 o 38.80286 9.182672  371.3734       176.9500 475.7670       
265.7124 288.1828       237.1983 42.68922 13.35981 34.91651 12.60164 7.772705 
18.36534 
1 1 1 19  3   25 o 43.76627 9.126861  502.4888       179.5172 616.0413       
270.2736 412.8450       240.1406 47.93900 13.07187 39.59353 12.74066 8.345463 
18.25372 
1 1 1 19  3   26 o 28.06568 8.110142  54.46285       176.4879 -259.7030      
260.7135 320.2065       239.7814 21.08253 10.13009 35.04884 12.66802 -13.96630 
16.22028 
1 1 1 19  3   27 o 40.45508 9.275005  474.3234       184.5151 573.3140       
256.4951 368.1544       265.6323 44.77985 12.92460 36.13031 13.30629 8.649536 
18.55001 
1 1 1 19  3   28 o 44.42663 9.513865  603.4078       193.1924 642.4832       
270.9980 563.0268       275.4880 46.20654 13.26828 42.64671 13.63845 3.559826 
19.02773 
1 1 1 19  3   29 o 22.88514 7.681359  -141.1973      203.6382 -347.3597      
330.4573 -14.97832      258.5669 21.77456 10.67036 23.99571 11.05244 -2.221151 
15.36272 
1 1 1 19  3   30 o 27.38068 8.552164  114.8311       211.3967 -184.8083      
332.3477 318.4374       273.9611 23.08496 11.16777 31.67640 12.95527 -8.591436 
17.10433 
1 1 1 19  3   31 o 21.82205 7.199712  5.735071       151.7897 -126.7616      
313.7438 46.22494       173.4386 22.35527 10.82099 21.28883 9.499977 1.066441 
14.39942 
1 1 1 19  3   32 o 18.38783 6.449170  -185.3112      151.7954 -174.2900      
319.0142 -188.5369      172.5852 20.92887 10.30850 15.84680 7.752550 5.082069 
12.89834 
1 1 1 19  4   0  o 193.3902 5.292854  7964.548       427.5710 7933.874       
576.0984 8002.167       637.9786 193.1163 7.105567 193.6641 7.846537 
-0.5477753     10.58571 
1 1 1 19  4   1  o 111.4292 4.518510  2634.288       211.3691 2638.628       
300.8486 2630.058       297.0300 111.5131 6.426035 111.3452 6.354040 0.1679459 
9.037021 
1 1 1 19  4   2  o 175.7763 5.851410  6598.446       431.0164 6561.682       
591.1480 6640.172       629.7833 175.3430 8.030245 176.2096 8.513000 
-0.8665466     11.70282 
1 1 1 19  4   3  o 112.3623 4.167870  2662.256       196.1796 2892.554       
288.4178 2463.964       267.6270 116.8674 5.878275 107.8571 5.910198 9.010239 
8.335740 
1 1 1 19  4   4  o 157.8583 5.650029  5308.628       369.7637 5370.252       
571.0077 5264.125       485.2469 158.4494 8.583661 157.2673 7.349290 1.182053 
11.30006 
1 1 1 19  4   5  o 52.19352 6.176037  592.7882       126.9546 885.6674       
189.6856 355.1390       170.8671 64.54568 6.999842 39.84136 10.17723 24.70433 
12.35207 
1 1 1 19  4   6  o 91.39447 4.500487  1789.712       169.9891 1658.062       
258.7501 1889.677       225.4726 88.31059 6.978930 94.47835 5.684373 -6.167755 
9.000975 
1 1 1 19  4   7  o 187.5863 6.131930  7557.764       480.4714 7799.265       
654.2006 7274.942       707.9570 191.0631 8.155587 184.1096 9.159076 6.953506 
12.26386 
1 1 1 19  4   8  o 26.86503 7.407506  68.96456       125.0618 190.8558       
189.7440 -24.66080      166.2948 31.70229 11.28771 22.02777 9.595422 9.674522 
14.81501 
1 1 1 19  4   9  o 169.0666 6.496490  6163.755       458.4767 6423.094       
624.7040 5860.996       674.9783 173.1767 8.592232 164.9565 9.746335 8.220139 
12.99298 
1 1 1 19  4   10 o 90.63100 4.549907  1746.380       172.7090 1702.943       
251.2321 1785.301       237.8147 89.52051 6.684574 91.74149 6.174390 -2.220978 
9.099814 
1 1 1 19  4   11 f 180.2610 6.285487  6983.471       474.3880 6469.474       
675.7968 7482.794       666.0807 173.5383 9.275594 186.9836 8.484855 -13.44525 
12.57097 
1 1 1 19  4   12 o 90.74934 4.928762  1720.495       184.2270 1602.494       
235.3541 1907.186       296.0339 86.88650 6.451944 94.61219 7.452731 -7.725693 
9.857524 
1 1 1 19  4   13 f 54.65502 6.742876  714.6412       137.2971 835.6145       
170.3541 490.4127       231.9281 62.73830 6.467566 46.57175 11.83368 16.16655 
13.48575 
1 1 1 19  4   14 o 29.65868 8.224186  100.1561       153.7680 3.006472       
212.7558 206.4012       222.4925 25.81153 11.03920 33.50583 12.19365 -7.694302 
16.44837 
1 1 1 19  4   15 o 23.33020 7.422592  -101.5637      153.6678 -64.84518      
220.3472 -136.3310      214.4124 24.37099 10.80337 22.28942 10.18168 2.081568 
14.84518 
1 1 1 19  4   16 o 73.26685 5.609593  1158.247       170.8948 1071.293       
253.7463 1230.429       231.1892 70.61210 8.559368 75.92160 7.253092 -5.309502 
11.21919 
1 1 1 19  4   17 o 113.1394 4.652823  2723.760       215.0792 2758.113       
347.3479 2702.398       273.9059 113.5139 7.288473 112.7648 5.785605 0.7490997 
9.305647 
1 1 1 19  4   18 o 30.48977 8.413962  137.0762       153.8570 170.7559       
239.3848 113.3714       200.8309 32.34234 12.45482 28.63719 11.31621 3.705156 
16.82792 
1 1 1 19  4   19 o 76.05990 5.483143  1248.372       173.5584 1480.156       
252.2078 1039.871       239.2054 82.89456 7.246921 69.22523 8.230526 13.66933 
10.96629 
1 1 1 19  4   20 o 177.2598 6.869789  6907.042       504.5336 7195.472       
785.0667 6704.095       658.5321 179.7368 10.40377 174.7828 8.974273 4.953934 
13.73958 
1 1 1 19  4   21 o 73.49783 6.037268  1198.751       184.0813 1025.705       
265.5681 1358.788       255.3906 68.03477 9.297498 78.96089 7.703958 -10.92612 
12.07454 
1 1 1 19  4   22 o 93.97852 5.828492  1912.254       222.5878 1810.854       
278.6236 2091.130       370.0634 91.09412 7.285320 96.86290 9.099966 -5.768776 
11.65698 
1 1 1 19  4   23 o 29.34714 8.636305  100.1743       176.5811 33.32665       
272.0276 148.8538       232.1364 28.42929 12.32650 30.26499 12.09961 -1.835699 
17.27261 
1 1 1 19  4   24 o 69.12340 6.446337  1007.980       179.7794 1488.816       
305.9123 754.2995       222.1992 80.82121 9.015559 57.42559 9.216331 23.39561 
12.89267 
1 1 1 19  4   25 o 37.41525 9.269872  350.6656       184.1421 249.1575       
265.0728 445.3415       255.9967 33.63958 13.07454 41.19091 13.14453 -7.551338 
18.53974 
1 1 1 19  4   26 o 29.86801 8.579396  107.2521       184.1964 -117.2142      
257.7609 341.4943       263.3140 23.45444 10.89124 36.28157 13.25915 -12.82713 
17.15879 
1 1 1 19  4   27 o 34.09138 8.208414  280.7732       164.8780 12.04576       
247.0648 496.5467       221.3879 25.31981 11.31754 42.86295 11.89224 -17.54314 
16.41683 
1 1 1 19  4   28 o 32.74231 9.080851  283.9256       182.3895 298.7538       
248.8395 266.7115       268.1127 33.21474 12.72262 32.26988 12.96080 0.9448547 
18.16170 
1 1 1 19  4   29 o 30.98099 8.929554  250.5250       185.4982 305.9298       
250.8899 183.7166       275.5021 32.71515 12.71898 29.24683 12.53696 3.468315 
17.85911 
1 1 1 19  4   30 o 27.02795 8.663504  1.283158       157.3466 470.1189       
383.1075 -93.84918      172.5736 35.52953 14.98816 18.52637 8.693683 17.00316 
17.32701 
1 1 1 19  4   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  4   32 o 23.76718 7.546284  119.9500       151.1942 -16.01735      
323.5818 157.9261       171.0102 23.25640 11.20161 24.27796 10.11482 -1.021568 
15.09257 
1 1 1 19  5   0  o 87.30547 4.235044  1611.965       153.8923 1590.501       
204.0448 1640.283       234.3650 86.68372 5.606722 87.92721 6.348784 -1.243484 
8.470088 
1 1 1 19  5   1  o 35.03629 7.165938  270.1241       111.6725 242.4280       
156.9194 298.5445       158.9579 33.43227 10.22759 36.64032 10.03988 -3.208054 
14.33188 
1 1 1 19  5   2  o 144.4042 5.241852  4456.255       316.3697 4685.306       
435.0226 4199.112       460.9290 148.4725 6.978899 140.3359 7.823236 8.136627 
10.48370 
1 1 1 19  5   3  o 48.92424 6.064239  519.8614       121.8659 528.5678       
169.7510 510.6019       175.0605 49.76333 8.125011 48.08515 9.004673 1.678185 
12.12848 
1 1 1 19  5   4  f 193.5345 7.123069  8082.515       572.7571 8194.480       
760.8597 7936.095       870.0859 195.4559 9.272073 191.6132 10.81578 3.842743 
14.24614 
1 1 1 19  5   5  o 65.78185 4.897292  914.5001       134.8696 1009.058       
198.9350 834.0715       183.4710 68.91733 6.875494 62.64637 6.975776 6.270954 
9.794584 
1 1 1 19  5   6  o 36.72928 7.557919  295.3079       123.5758 336.8809       
181.9352 259.7003       168.3766 38.87794 10.77870 34.58062 10.59755 4.297318 
15.11584 
1 1 1 19  5   7  o 100.3924 4.659848  2135.466       195.6492 2407.534       
283.3853 1887.672       270.4476 106.5329 6.335994 94.25195 6.834611 12.28092 
9.319696 
1 1 1 19  5   8  o 83.96328 4.761369  1497.206       167.6239 1510.243       
243.7910 1485.517       230.8499 84.28622 6.889412 83.64034 6.574080 0.6458893 
9.522738 
1 1 1 19  5   9  f 166.0788 6.598230  5930.362       459.8107 6074.345       
645.3831 5781.932       655.2705 168.2056 9.138991 163.9520 9.519736 4.253586 
13.19646 
1 1 1 19  5   10 o 48.99981 7.457316  534.4896       147.0750 559.7429       
229.0741 516.7794       191.8361 49.84534 11.21768 48.15428 9.829038 1.691059 
14.91463 
1 1 1 19  5   11 o 99.52472 4.799850  2091.960       199.7377 2254.692       
299.4748 1961.568       268.0707 102.9627 6.927899 96.08675 6.645183 6.875923 
9.599700 
1 1 1 19  5   12 o 37.18414 7.396163  303.8814       138.2859 495.0690       
182.9645 49.15551       211.1901 47.17781 9.570912 27.19046 11.27876 19.98735 
14.79233 
1 1 1 19  5   13 o 213.0391 7.597886  9839.527       678.0790 9514.608       
981.0863 10136.69       938.2446 209.4140 11.15893 216.6642 10.31454 -7.250153 
15.19577 
1 1 1 19  5   14 o 203.8214 6.850120  8952.141       582.9650 9027.792       
786.7303 8860.022       868.1429 205.0574 9.138427 202.5854 10.20714 2.472031 
13.70024 
1 1 1 19  5   15 o 146.7231 4.762422  4525.976       288.2971 4846.074       
458.1029 4316.063       370.9722 150.8278 7.234404 142.6185 6.195647 8.209320 
9.524843 
1 1 1 19  5   16 o 36.77611 8.021825  291.5995       137.2970 233.1561       
188.1676 358.1401       200.7801 33.57272 11.28728 39.97950 11.40158 -6.406776 
16.04365 
1 1 1 19  5   17 f 81.17856 5.179879  1390.838       175.3373 1572.505       
267.5588 1254.099       232.1274 85.74388 7.432539 76.61324 7.216783 9.130646 
10.35976 
1 1 1 19  5   18 o 96.20212 4.966876  1970.866       189.3790 2010.955       
328.1252 1950.842       231.9016 96.63138 8.088025 95.77285 5.767431 0.8585281 
9.933751 
1 1 1 19  5   19 o 95.04192 5.406188  1932.899       214.2001 2066.115       
326.5997 1832.345       283.7495 97.79101 7.954958 92.29283 7.322985 5.498177 
10.81238 
1 1 1 19  5   20 o 88.39670 5.529806  1667.264       203.6112 1465.563       
268.9084 1938.282       311.7088 82.23995 7.788297 94.55345 7.852224 -12.31350 
11.05961 
1 1 1 19  5   21 o 106.7116 5.175802  2474.280       230.9766 2703.811       
325.4447 2241.316       327.8693 111.8859 6.928242 101.5373 7.691239 10.34860 
10.35160 
1 1 1 19  5   22 o 97.29343 5.627896  2074.589       229.7969 2057.945       
328.6419 2090.511       321.4416 96.84757 8.082677 97.73930 7.833466 
-0.8917236     11.25579 
1 1 1 19  5   23 o 60.16296 7.364911  813.5430       178.5060 606.3031       
233.9857 1102.099       276.1007 50.33634 11.34363 69.98959 9.396262 -19.65324 
14.72982 
1 1 1 19  5   24 o 66.65294 7.666093  1047.867       208.5369 1187.601       
299.4516 916.2892       290.5800 71.86460 9.925049 61.44128 11.68629 10.42332 
15.33219 
1 1 1 19  5   25 o 87.95901 6.190783  1772.035       227.7979 1629.246       
324.3424 1911.035       320.0110 84.09163 9.186965 91.82639 8.300773 -7.734756 
12.38157 
1 1 1 19  5   26 o 29.67794 8.703804  101.2109       186.1806 -59.84218      
253.9816 288.2744       273.7236 24.59172 11.18864 34.76415 13.33563 -10.17243 
17.40761 
1 1 1 19  5   27 o 34.26403 9.279758  296.0509       187.6013 331.7116       
254.0932 253.3170       278.1529 35.51077 13.02028 33.01728 13.22603 2.493484 
18.55952 
1 1 1 19  5   28 o 38.28968 9.497579  422.4720       189.5805 360.0751       
260.6280 492.5833       276.2699 35.83093 13.18188 40.74842 13.67677 -4.917488 
18.99516 
1 1 1 19  5   29 o 28.48115 8.458652  134.2902       184.0643 304.0027       
249.9184 -66.89597      272.1074 33.00276 12.72241 23.95953 11.15058 9.043230 
16.91730 
1 1 1 19  5   30 o 25.29944 7.781924  99.87289       133.0132 103.8635       
295.4824 98.85873       148.9593 27.36597 12.30038 23.23292 9.535932 4.133051 
15.56385 
1 1 1 19  5   31 o 44.39024 9.808060  489.7963       145.7517 1101.974       
435.0779 412.4091       154.6901 49.77068 17.15302 39.00980 9.516613 10.76087 
19.61612 
1 1 1 19  5   32 o 19.46394 9.286009  -96.79542      209.4417 0.000000       
0.000000 -96.79542      209.4417 ?        ?        19.46394 9.286009 ? ? 
1 1 1 19  5   33 o 17.84397 6.019027  -82.10593      125.8502 -154.9660      
197.1611 -32.00752      163.4890 17.44217 8.480335 18.24577 8.543924 
-0.8035946     12.03805 
1 1 1 19  6   0  o 23.13946 6.196347  -16.16440      105.0772 -262.0753      
153.3459 201.5055       144.2721 15.42781 7.494028 30.85110 9.870075 -15.42328 
12.39269 
1 1 1 19  6   1  o 157.7857 5.238571  5286.371       346.2751 5515.784       
510.3122 5090.601       471.4117 160.9054 7.554164 154.6661 7.259830 6.239334 
10.47714 
1 1 1 19  6   2  o 108.3340 4.059006  2484.233       184.5864 2496.887       
263.5894 2472.056       258.5720 108.5982 5.781313 108.0698 5.698994 0.5283737 
8.118011 
1 1 1 19  6   3  o 196.6188 6.901551  8320.726       566.4384 8212.253       
844.0513 8409.606       764.0408 195.1886 10.29996 198.0490 9.188929 -2.860489 
13.80310 
1 1 1 19  6   4  o 193.7771 5.871993  7936.844       466.2253 7655.026       
592.9982 8393.035       754.4706 189.6425 7.447986 197.9117 9.080127 -8.269211 
11.74399 
1 1 1 19  6   5  o 69.37682 4.673634  1025.225       135.5786 965.3990       
196.9312 1079.131       186.9333 67.40465 6.958983 71.34898 6.240509 -3.944328 
9.347267 
1 1 1 19  6   6  o 96.17726 4.472946  1965.129       179.2841 1930.876       
269.0662 1992.480       240.4347 95.35954 6.720725 96.99499 5.904306 -1.635452 
8.945891 
1 1 1 19  6   7  o 33.41226 7.023518  193.7592       124.1484 437.0300       
183.5870 -11.22778      168.5233 44.20101 10.10828 22.62352 9.754075 21.57750 
14.04704 
1 1 1 19  6   8  o 55.91546 5.832643  667.1457       136.8077 692.0629       
198.5205 644.6098       188.7963 56.90090 8.310121 54.93002 8.186624 1.970886 
11.66529 
1 1 1 19  6   9  o 129.7309 5.266308  3583.837       286.4258 3851.583       
410.2782 3329.276       400.0498 134.5013 7.265627 124.9605 7.625396 9.540802 
10.53262 
1 1 1 19  6   10 o 83.26652 4.944106  1467.261       170.0420 1433.398       
220.3648 1517.099       267.3358 82.17622 6.387297 84.35681 7.548455 -2.180588 
9.888212 
1 1 1 19  6   11 o 89.19273 5.050752  1692.190       186.3516 1686.190       
243.4609 1700.677       289.5807 89.10693 6.507869 89.27854 7.725802 
-0.1716080     10.10150 
1 1 1 19  6   12 o 71.01169 5.092165  1073.918       151.7138 1059.606       
217.6514 1087.444       211.5884 70.53069 7.350288 71.49270 7.049385 
-0.9620132     10.18433 
1 1 1 19  6   13 o 73.42577 5.617325  1144.334       172.4496 1081.622       
231.4714 1222.562       258.5264 71.20878 7.742567 75.64275 8.140641 -4.433968 
11.23465 
1 1 1 19  6   14 o 71.06619 5.525293  1063.236       163.7390 1233.451       
248.3744 932.3983       217.7581 76.03426 7.780699 66.09812 7.847049 9.936134 
11.05059 
1 1 1 19  6   15 o 41.27091 7.501943  319.5536       147.9346 692.5939       
233.2918 68.67017       191.3188 55.79137 10.34799 26.75045 10.86443 29.04092 
15.00389 
1 1 1 19  6   16 o 56.32222 6.826888  687.0946       157.6030 749.5004       
239.2037 639.2229       209.5056 58.95495 9.664261 53.68949 9.645085 5.265461 
13.65378 
1 1 1 19  6   17 o 156.8561 5.797695  5212.407       347.3160 5431.935       
646.9706 5123.527       411.6642 158.4747 9.724020 155.2375 6.316367 3.237122 
11.59539 
1 1 1 19  6   18 o 35.35622 8.278426  248.6084       159.4966 28.04152       
243.3068 414.8166       211.2080 28.03966 11.89211 42.67277 11.51986 -14.63311 
16.55685 
1 1 1 19  6   19 o 60.05714 6.894778  800.4026       169.5152 755.8783       
244.5642 841.5731       235.1729 57.87412 10.44766 62.24015 8.999898 -4.366035 
13.78956 
1 1 1 19  6   20 o 96.18060 5.161348  1972.649       203.5675 2091.184       
328.7058 1898.903       259.2707 98.26009 7.968035 94.10110 6.562659 4.158997 
10.32270 
1 1 1 19  6   21 o 94.09317 5.185075  1893.057       192.7307 1981.547       
337.8251 1850.358       234.6670 95.24856 8.448013 92.93777 6.014242 2.310783 
10.37015 
1 1 1 19  6   22 o 130.6793 5.100002  3693.453       279.2570 4023.662       
407.4120 3400.826       383.5274 136.2224 7.123711 125.1362 7.300194 11.08621 
10.20000 
1 1 1 19  6   23 o 105.0895 6.986301  2475.431       305.6510 2937.993       
448.4766 2074.222       417.6765 114.6065 9.320762 95.57242 10.40947 19.03413 
13.97260 
1 1 1 19  6   24 o 43.39337 9.616302  468.5128       196.1136 397.0863       
272.3498 545.4326       282.6286 40.34123 13.57940 46.44552 13.61958 -6.104290 
19.23260 
1 1 1 19  6   25 o 34.20188 9.383159  244.2257       194.5055 298.5291       
265.3912 181.2067       285.8965 35.92148 13.28829 32.48227 13.25127 3.439209 
18.76632 
1 1 1 19  6   26 o 39.58667 9.306186  408.3611       184.3459 492.1357       
254.4605 315.8279       267.4317 43.19473 12.98628 35.97861 13.33330 7.216118 
18.61237 
1 1 1 19  6   27 o 45.64035 9.136530  568.3750       190.8137 746.6719       
271.0970 393.3178       268.6228 53.12503 12.37367 38.15567 13.44608 14.96936 
18.27306 
1 1 1 19  6   28 o 36.67798 9.343720  369.9247       184.6470 311.8839       
254.1053 434.8590       268.7722 34.37778 12.94552 38.97818 13.47717 -4.600391 
18.68744 
1 1 1 19  6   29 o 38.74495 9.127804  439.7402       173.7316 422.7015       
237.8433 459.2301       254.3763 38.15376 12.69002 39.33614 13.12367 -1.182388 
18.25561 
1 1 1 19  6   30 o 43.36457 8.586136  435.8808       132.3463 800.6535       
317.8354 359.3669       145.5664 49.55672 14.41456 37.17241 9.333138 12.38431 
17.17227 
1 1 1 19  6   31 o 33.18497 8.402897  302.1564       128.8378 397.0091       
295.6096 279.9137       143.1491 34.34432 13.67929 32.02561 9.762777 2.318710 
16.80579 
1 1 1 19  6   32 o 30.73834 8.208552  273.5873       129.1535 359.3495       
279.4839 250.2998       145.6366 31.90793 13.07345 29.56875 9.930068 2.339176 
16.41710 
1 1 1 19  6   33 f 20.80933 6.436655  27.97258       115.6101 -123.8660      
162.3622 184.1330       164.6566 16.50956 7.947723 25.10910 10.12698 -8.599546 
12.87331 
1 1 1 19  7   0  o 90.09748 3.854745  1709.955       145.4837 1847.061       
214.3431 1592.835       198.1050 93.42967 5.464442 86.76529 5.438391 6.664383 
7.709489 
1 1 1 19  7   1  o 77.16516 4.074359  1261.319       131.9323 1219.250       
186.8693 1303.128       186.2930 75.86958 5.866666 78.46073 5.655425 -2.591148 
8.148718 
1 1 1 19  7   2  o 37.16297 6.625820  311.1701       110.2340 153.1140       
159.4251 455.9612       152.5885 28.80466 10.33757 45.52129 8.290997 -16.71663 
13.25164 
1 1 1 19  7   3  o 168.3571 5.633457  6054.315       390.1376 6089.469       
504.7452 6002.145       614.8940 169.2387 7.103848 167.4754 8.745209 1.763229 
11.26691 
1 1 1 19  7   4  o 94.51794 4.402810  1848.613       172.5724 2281.618       
267.9602 1541.735       225.5830 103.7615 6.151131 85.27437 6.300993 18.48716 
8.805619 
1 1 1 19  7   5  o 56.56876 5.664913  707.1911       127.2047 530.3762       
182.7606 873.3337       177.1592 48.98533 9.224909 64.15218 6.577690 -15.16685 
11.32983 
1 1 1 19  7   6  o 67.50014 5.028529  968.4820       142.4413 1008.674       
203.0658 929.5503       199.8574 68.88927 7.021117 66.11102 7.200579 2.778259 
10.05706 
1 1 1 19  7   7  o 26.15165 7.327238  81.86155       120.5250 39.81554       
178.7316 116.9257       163.2189 25.03473 10.37969 27.26857 10.34484 -2.233845 
14.65448 
1 1 1 19  7   8  o 104.4201 4.787571  2312.100       208.8299 2274.968       
280.6031 2358.198       312.6494 103.5386 6.455222 105.3016 7.072020 -1.763039 
9.575143 
1 1 1 19  7   9  o 34.36531 7.721850  253.7883       126.9725 195.5916       
191.4299 299.5043       169.6660 31.97986 11.34264 36.75075 10.48105 -4.770891 
15.44370 
1 1 1 19  7   10 o 134.8806 5.013162  3877.809       283.1969 3984.797       
390.6437 3759.298       411.1440 136.9187 6.795774 132.8424 7.371880 4.076324 
10.02632 
1 1 1 19  7   11 o 97.38524 5.144660  1969.989       204.1039 1826.942       
255.3752 2222.942       339.5941 92.74330 6.558691 102.0272 7.928033 -9.283867 
10.28932 
1 1 1 19  7   12 o 118.5902 5.679694  2949.975       279.4612 2667.194       
362.8854 3362.103       438.0871 111.8089 7.730617 125.3715 8.323056 -13.56255 
11.35939 
1 1 1 19  7   13 o 162.2775 6.190810  5647.295       420.8143 5721.467       
578.3077 5563.822       613.4920 163.5334 8.423130 161.0215 9.074988 2.511917 
12.38162 
1 1 1 19  7   14 o 82.65884 5.251939  1470.753       178.8869 1145.964       
251.9361 1801.005       254.0457 73.22600 8.194948 92.09168 6.570713 -18.86568 
10.50388 
1 1 1 19  7   15 o 78.70293 5.295683  1309.019       173.1100 1394.628       
268.2726 1247.941       226.5990 80.82098 7.906299 76.58487 7.047515 4.236115 
10.59137 
1 1 1 19  7   16 o 138.1692 6.150354  4095.531       353.1789 4081.211       
538.1221 4106.367       468.1059 137.7464 9.305112 138.5920 8.045017 
-0.8456116     12.30071 
1 1 1 19  7   17 o 66.29819 6.218491  940.8537       172.6948 1031.086       
252.8395 861.9478       236.4392 69.28365 8.692309 63.31274 8.895071 5.970917 
12.43698 
1 1 1 19  7   18 o 35.24796 8.652514  253.1393       156.4096 236.8889       
235.3754 265.9893       209.3058 34.96988 12.55983 35.52605 11.90440 
-0.5561714     17.30503 
1 1 1 19  7   19 o 39.07832 8.627549  326.1594       159.3741 453.0920       
241.3751 228.0485       212.2092 44.38523 12.45117 33.77140 11.94599 10.61383 
17.25510 
1 1 1 19  7   20 o 33.39857 8.238129  210.9644       154.7231 29.47617       
232.4851 355.2580       207.2976 27.32761 11.60886 39.46954 11.69194 -12.14193 
16.47626 
1 1 1 19  7   21 o 54.50184 6.788855  678.6868       148.6429 827.5070       
206.2162 517.7436       214.4510 61.73341 7.956528 47.27026 11.00218 14.46315 
13.57771 
1 1 1 19  7   22 o 71.95708 6.045337  1114.681       179.3669 1247.825       
287.3918 1029.725       229.5664 75.20368 9.102410 68.71047 7.958047 6.493210 
12.09067 
1 1 1 19  7   23 o 67.33835 6.229690  1008.292       174.9795 1128.446       
246.7004 886.6506       248.2234 71.62601 8.203896 63.05068 9.377219 8.575336 
12.45938 
1 1 1 19  7   24 o 71.48681 7.845195  1178.451       232.8963 1149.924       
306.5732 1217.381       358.1358 70.93251 10.29461 72.04111 11.84100 -1.108597 
15.69039 
1 1 1 19  7   25 o 63.00573 8.075501  995.4594       201.4858 578.3306       
288.3083 1393.671       281.6947 47.33541 13.71586 78.67605 8.528197 -31.34064 
16.15100 
1 1 1 19  7   26 o 56.71697 8.574949  817.3618       198.5095 941.9670       
279.5770 690.6708       281.9071 61.96163 11.15386 51.47232 13.02729 10.48931 
17.14990 
1 1 1 19  7   27 o 31.63380 8.556421  220.7500       156.3405 198.3078       
201.5157 254.6814       247.7857 30.14739 11.47771 33.12020 12.69298 -2.972807 
17.11284 
1 1 1 19  7   28 o 22.78736 7.268289  -81.87225      150.3432 -220.7487      
199.0544 102.5644       229.3934 18.39637 8.842345 27.17836 11.53798 -8.781998 
14.53658 
1 1 1 19  7   29 o 41.15649 8.487982  379.6160       131.4231 687.1462       
296.3908 304.3536       146.6255 47.84793 13.92051 34.46506 9.716102 13.38288 
16.97596 
1 1 1 19  7   30 o 24.66366 7.641154  76.89532       126.6277 40.33789       
299.9905 84.82102       139.6815 26.75432 12.16919 22.57300 9.244448 4.181320 
15.28231 
1 1 1 19  7   31 o 33.84923 7.985821  346.6491       132.3689 215.3957       
303.7589 377.4160       147.0671 29.83121 12.98129 37.86724 9.304804 -8.036034 
15.97164 
1 1 1 19  7   32 o 29.27842 7.373276  119.9418       122.0806 526.1983       
225.5578 -48.37262      145.1839 40.69755 12.22473 17.85929 8.247231 22.83826 
14.74655 
1 1 1 19  7   33 o 30.70683 7.729644  169.5326       116.3195 646.4742       
250.9912 39.07758       131.2672 42.16038 12.94254 19.25327 8.454597 22.90711 
15.45929 
1 1 1 19  7   34 o 27.50616 6.929102  241.5044       123.5594 1.448172       
204.3423 379.8618       155.1325 20.33116 9.526080 34.68117 10.06497 -14.35000 
13.85820 
1 1 1 19  8   0  o 74.52911 4.436734  1171.120       138.3118 1045.168       
188.0202 1319.656       204.1829 70.17560 6.381745 78.88264 6.165368 -8.707039 
8.873468 
1 1 1 19  8   1  o 21.87533 6.495159  9.453864       103.2728 -53.86687      
151.3973 64.55663       141.2316 20.04395 8.912015 23.70671 9.451157 -3.662752 
12.99032 
1 1 1 19  8   2  o 62.56529 4.944045  833.5364       129.6438 876.1478       
181.6834 789.3307       185.0509 64.22518 6.737999 60.90540 7.236966 3.319782 
9.888089 
1 1 1 19  8   3  o 98.27707 3.942189  2042.745       162.5405 1937.814       
227.4388 2152.280       232.3745 95.68654 5.661543 100.8676 5.487288 -5.181053 
7.884377 
1 1 1 19  8   4  o 50.63215 6.077508  560.4004       124.3477 692.0084       
178.5406 436.4258       173.2855 57.01392 7.458941 44.25037 9.597323 12.76355 
12.15502 
1 1 1 19  8   5  o 66.92235 5.029673  947.9032       139.4458 978.2269       
216.9138 926.5442       182.0486 67.76740 7.624083 66.07729 6.562302 1.690102 
10.05935 
1 1 1 19  8   6  o 38.88850 7.218491  323.2323       122.3224 471.0777       
185.9683 210.4895       162.3975 45.94266 9.923300 31.83433 10.48592 14.10832 
14.43698 
1 1 1 19  8   7  o 149.4538 4.463151  4675.814       275.5952 5071.129       
436.8490 4414.462       355.1996 154.5286 6.733540 144.3790 5.859890 10.14963 
8.926302 
1 1 1 19  8   8  o 134.8477 5.575053  3872.213       315.1865 4008.221       
460.6373 3752.479       432.2024 137.0364 8.006530 132.6590 7.760177 4.377426 
11.15011 
1 1 1 19  8   9  o 35.48190 7.629864  272.6160       124.7814 324.0946       
178.6612 223.5904       174.3527 38.15612 10.71496 32.80767 10.86504 5.348454 
15.25973 
1 1 1 19  8   10 f 74.40639 5.167124  1160.081       157.9018 1093.082       
200.8786 1268.420       255.4401 71.72884 6.670539 77.08395 7.893073 -5.355118 
10.33425 
1 1 1 19  8   11 o 48.92604 7.141366  529.6351       138.4714 515.0305       
175.7184 553.5643       224.9238 48.26061 9.007380 49.59148 11.08438 -1.330868 
14.28273 
1 1 1 19  8   12 o 62.17028 5.497723  803.3194       141.1920 710.2090       
180.9595 948.2068       225.7343 57.72533 7.466825 66.61522 8.071330 -8.889885 
10.99545 
1 1 1 19  8   13 o 110.2462 4.428896  2576.407       204.7054 2616.723       
298.4459 2540.588       281.3080 111.0341 6.402218 109.4584 6.121444 1.575638 
8.857792 
1 1 1 19  8   14 o 80.72643 4.779723  1384.692       161.9781 1358.187       
228.0023 1411.700       230.1562 79.94162 6.793401 81.51124 6.725526 -1.569618 
9.559445 
1 1 1 19  8   15 o 96.86377 4.838162  1998.840       195.8740 1945.486       
288.7461 2044.321       266.5934 95.59963 7.194175 98.12790 6.471097 -2.528267 
9.676325 
1 1 1 19  8   16 o 71.40810 6.444398  1192.810       172.4907 794.7996       
269.2261 1469.949       224.6560 59.61629 11.16943 83.19990 6.431561 -23.58361 
12.88880 
1 1 1 19  8   17 o 78.80409 5.499049  1335.067       180.6745 1237.687       
265.1244 1419.502       246.8751 76.00613 8.308489 81.60204 7.206052 -5.595909 
10.99810 
1 1 1 19  8   18 o 52.56161 7.385795  599.4688       159.4124 781.7298       
242.1971 460.1581       211.7454 60.10740 9.597586 45.01582 11.22881 15.09159 
14.77159 
1 1 1 19  8   19 o 63.05740 7.291454  878.0281       183.5917 623.2441       
249.0366 1181.338       271.7194 52.18562 11.66284 73.92917 8.754390 -21.74355 
14.58291 
1 1 1 19  8   20 f 24.85660 7.663980  -33.34170      153.9202 -131.8914      
230.8645 45.51737       206.5168 23.20536 10.58714 26.50784 11.08417 -3.302485 
15.32796 
1 1 1 19  8   21 o 43.07748 8.352568  422.0363       156.7895 539.7267       
235.6647 328.5721       210.0132 48.10250 11.75331 38.05247 11.87102 10.05004 
16.70514 
1 1 1 19  8   22 o 59.45362 7.133310  794.7842       172.6606 667.4973       
237.9162 936.4151       250.9638 53.71102 10.93026 65.19623 9.168740 -11.48521 
14.26662 
1 1 1 19  8   23 o 57.00011 8.866150  755.8654       203.0881 662.5005       
259.6469 903.0017       325.9503 52.77858 11.98794 61.22165 13.06613 -8.443069 
17.73230 
1 1 1 19  8   24 o 30.54651 8.345596  123.7641       170.0092 -114.8227      
258.2297 306.2948       225.8661 24.58166 11.21021 36.51136 12.36637 -11.92970 
16.69119 
1 1 1 19  8   25 o 65.87122 7.380411  1021.437       193.9794 1301.170       
278.6295 758.3347       270.2204 76.05344 8.726285 55.68901 11.90520 20.36443 
14.76082 
1 1 1 19  8   26 o 38.99247 9.090777  383.3514       175.4989 303.6847       
256.4146 453.5609       240.7144 35.84257 13.08570 42.14237 12.62274 -6.299801 
18.18155 
1 1 1 19  8   27 o 97.43130 5.881202  2157.704       239.3416 2345.096       
361.4440 2011.371       319.4017 100.9605 8.527286 93.90215 8.101824 7.058311 
11.76240 
1 1 1 19  8   28 o 21.95690 7.160144  -85.59533      152.4938 -238.9628      
264.4520 -9.193831      186.6513 21.60896 10.33912 22.30484 9.908238 
-0.6958847     14.32029 
1 1 1 19  8   29 o 41.49562 7.653975  499.2802       127.8997 303.5143       
296.1554 544.1635       141.8055 34.13313 13.65801 48.85812 6.913174 -14.72500 
15.30795 
1 1 1 19  8   30 o 37.23333 7.210745  429.2329       132.6053 63.86485       
297.7558 519.6268       148.1032 27.37415 12.32339 47.09251 7.490896 -19.71836 
14.42149 
1 1 1 19  8   31 o 32.17490 8.654051  222.3124       130.0247 501.4018       
309.0938 162.3067       143.3226 38.36915 14.31129 25.98065 9.734343 12.38850 
17.30810 
1 1 1 19  8   32 f 22.63683 7.188099  -0.2996383E-01 126.6751 179.1406       
241.8555 -67.76257      148.7036 27.58823 11.78357 17.68542 8.235442 9.902817 
14.37620 
1 1 1 19  8   33 o 35.53744 8.019252  357.1947       118.8326 522.0655       
253.0451 310.5479       134.5976 37.80626 13.07644 33.26862 9.286566 4.537632 
16.03850 
1 1 1 19  8   34 o 20.91023 6.471364  38.19094       125.5060 -273.3802      
223.9579 180.8369       151.5366 17.04872 8.434719 24.77174 9.816810 -7.723019 
12.94273 
1 1 1 19  9   0  o 38.93184 6.428066  336.9794       103.3077 374.6768       
149.8181 302.8058       142.6441 41.02526 8.946295 36.83841 9.232765 4.186844 
12.85613 
1 1 1 19  9   1  o 124.6541 4.421894  3301.192       230.8313 3029.266       
326.1003 3574.270       326.7904 119.4485 6.502665 129.8597 5.993990 -10.41116 
8.843787 
1 1 1 19  9   2  o 129.0251 4.195485  3527.935       227.0309 3542.513       
314.3801 3512.048       328.2064 129.3322 5.789877 128.7180 6.073359 0.6142883 
8.390969 
1 1 1 19  9   3  o 61.38564 4.936119  804.1055       126.6993 736.1882       
181.5125 868.6403       176.9348 58.80602 7.352007 63.96525 6.588557 -5.159233 
9.872238 
1 1 1 19  9   4  f 163.7588 5.814110  5728.566       399.6488 5613.802       
566.3010 5842.434       564.0831 162.0905 8.321678 165.4271 8.121895 -3.336670 
11.62822 
1 1 1 19  9   5  o 156.9408 4.750226  5220.479       311.5062 5329.094       
465.7181 5132.544       419.0421 158.3364 7.005893 155.5452 6.416855 2.791214 
9.500451 
1 1 1 19  9   6  f 119.0170 4.676836  3019.454       226.8374 2953.442       
365.6392 3060.757       289.2239 117.7898 7.393774 120.2442 5.729160 -2.454475 
9.353671 
1 1 1 19  9   7  o 180.8643 6.600439  7029.802       499.1958 6925.779       
736.2696 7118.304       679.1265 179.4322 9.773668 182.2963 8.873476 -2.864166 
13.20088 
1 1 1 19  9   8  o 48.91988 6.090400  507.6511       118.2021 282.9104       
154.9298 820.6672       182.8426 35.71381 9.961431 62.12595 7.010119 -26.41214 
12.18080 
1 1 1 19  9   9  f 30.00662 7.601733  166.4124       121.6696 143.0906       
166.7833 192.9428       177.8867 28.62031 10.54338 31.39294 10.95365 -2.772635 
15.20347 
1 1 1 19  9   10 o 82.91976 4.995397  1451.198       171.7646 1392.024       
224.0100 1535.628       267.5796 80.95670 6.590761 84.88282 7.508517 -3.926117 
9.990794 
1 1 1 19  9   11 o 63.32063 6.392894  854.4521       169.1560 800.2427       
226.2711 923.1326       254.6877 61.09338 8.821774 65.54788 9.254872 -4.454502 
12.78579 
1 1 1 19  9   12 o 105.2868 5.364103  2337.511       235.7363 2629.744       
357.2687 2112.175       313.7229 111.0330 7.664151 99.54060 7.507010 11.49237 
10.72821 
1 1 1 19  9   13 o 80.52952 4.940633  1382.030       158.3084 1370.744       
270.3614 1387.919       195.2880 80.10841 8.038735 80.95063 5.746143 
-0.8422241     9.881267 
1 1 1 19  9   14 o 69.67015 5.618258  1033.906       163.5429 1059.618       
244.7852 1013.176       219.7966 70.40038 8.281924 68.93993 7.594013 1.460449 
11.23652 
1 1 1 19  9   15 o 142.3443 5.487902  4349.600       325.1628 4578.180       
439.8002 4074.004       482.9176 146.6700 7.142254 138.0186 8.334055 8.651337 
10.97580 
1 1 1 19  9   16 o 73.67434 5.593077  1147.305       171.5073 1247.756       
264.1136 1074.061       225.5271 76.38105 8.236186 70.96763 7.569366 5.413422 
11.18615 
1 1 1 19  9   17 o 105.0566 5.436265  2270.821       217.3141 2563.526       
415.0753 2160.291       255.0656 109.2031 9.053427 100.9102 6.020577 8.292946 
10.87253 
1 1 1 19  9   18 o 39.92213 8.001802  356.2497       153.8029 139.1018       
228.1888 537.0254       208.2028 31.00637 12.11443 48.83788 10.45735 -17.83152 
16.00360 
1 1 1 19  9   19 o 90.32430 5.815880  1745.173       219.3008 1853.871       
331.6638 1660.733       292.3243 92.72685 8.519489 87.92174 7.919354 4.805115 
11.63176 
1 1 1 19  9   20 o 52.44256 7.129728  703.7338       150.5582 266.8830       
232.4629 1019.387       197.6025 35.88998 12.52182 68.99513 6.821740 -33.10515 
14.25946 
1 1 1 19  9   21 o 53.04328 7.092334  621.1338       147.9242 664.8709       
251.3631 597.9620       182.9599 53.61459 11.49907 52.47197 8.305192 1.142616 
14.18467 
1 1 1 19  9   22 o 67.09957 5.709182  904.3265       154.2265 1288.238       
268.1310 714.5125       188.5365 76.84652 8.310820 57.35263 7.830025 19.49389 
11.41836 
1 1 1 19  9   23 o 43.65147 8.335832  441.5511       158.4496 577.0104       
236.2271 330.7624       213.6353 49.44184 11.57309 37.86110 12.00033 11.58074 
16.67166 
1 1 1 19  9   24 o 33.50603 8.882007  195.5995       182.0777 3.698825       
267.1767 362.0070       248.7980 27.76892 12.12875 39.24314 12.97897 -11.47422 
17.76401 
1 1 1 19  9   25 o 83.40922 6.026942  1565.919       209.1763 1440.085       
307.9030 1673.772       285.0562 79.86629 9.182724 86.95215 7.808567 -7.085861 
12.05388 
1 1 1 19  9   26 o 36.16769 8.581709  274.2279       154.0359 484.7783       
257.0772 156.2972       192.3973 43.51537 13.04688 28.82000 11.15177 14.69538 
17.16342 
1 1 1 19  9   27 o 55.59855 7.986073  780.9017       182.4210 558.0853       
262.2510 989.7788       253.9154 45.96862 13.00537 65.22849 9.271986 -19.25987 
15.97215 
1 1 1 19  9   28 o 44.94521 8.869007  562.5566       185.8194 341.4396       
281.2019 733.9520       247.5750 36.31193 13.62920 53.57849 11.35263 -17.26656 
17.73801 
1 1 1 19  9   29 o 38.10512 8.632053  328.6760       129.4236 550.9550       
301.8861 278.6216       143.2566 42.93964 14.29679 33.27060 9.677358 9.669044 
17.26411 
1 1 1 19  9   30 o 36.95092 8.287654  377.2540       132.5737 346.4963       
300.0423 384.7156       147.7822 34.85214 13.81287 39.04971 9.162169 -4.197563 
16.57531 
1 1 1 19  9   31 o 27.69345 7.922449  5.306524       129.3800 488.9346       
282.6177 -122.9222      145.5245 38.89578 13.78328 16.49112 7.815501 22.40466 
15.84490 
1 1 1 19  9   32 o 20.36097 6.716046  -54.75623      127.1232 -24.87639      
238.3074 -66.64069      150.2929 22.83382 10.55271 17.88812 8.310319 4.945692 
13.43209 
1 1 1 19  9   33 o 25.58899 7.222059  164.4758       112.4225 171.2932       
199.8081 161.3178       135.9906 26.15540 10.91750 25.02257 9.457316 1.132830 
14.44412 
1 1 1 19  9   34 o 23.75851 7.387524  127.0118       132.8483 166.0335       
248.6369 111.4207       157.1627 25.16223 11.29749 22.35478 9.522011 2.807449 
14.77505 
1 1 1 19  10  0  o 91.12445 4.202392  1739.511       158.8409 1636.019       
206.7135 1888.719       248.2057 87.90269 5.601286 94.34621 6.266258 -6.443520 
8.404784 
1 1 1 19  10  1  o 101.9796 4.190055  2203.003       179.3468 2272.882       
256.6593 2136.323       250.7146 103.5629 5.903016 100.3963 5.948164 3.166580 
8.380111 
1 1 1 19  10  2  o 56.53252 5.630476  674.0370       132.1831 830.5784       
198.1445 548.5076       177.4354 62.42206 7.560751 50.64299 8.345302 11.77906 
11.26095 
1 1 1 19  10  3  o 81.90566 4.455675  1423.452       153.1077 1491.408       
217.3094 1356.466       215.7531 83.86466 6.171923 79.94666 6.428027 3.917999 
8.911350 
1 1 1 19  10  4  o 160.6408 5.671964  5507.547       376.1846 5516.171       
587.7119 5501.562       489.6289 160.5032 8.721716 160.7784 7.253714 
-0.2752228     11.34393 
1 1 1 19  10  5  f 166.1899 5.858500  5890.071       396.9704 5851.892       
504.0555 5952.427       644.1743 165.8293 7.239995 166.5505 9.212521 
-0.7212524     11.71700 
1 1 1 19  10  6  o 193.1351 7.338708  8050.587       594.3657 8042.389       
821.0404 8059.613       861.5415 193.1599 10.12438 193.1103 10.62654 
0.4963684E-01  14.67742 
1 1 1 19  10  7  f 53.78673 6.120988  634.5855       132.5783 502.2631       
186.9744 768.3890       188.0179 47.50911 9.709515 60.06435 7.455959 -12.55524 
12.24198 
1 1 1 19  10  8  o 70.51117 4.559754  1048.437       134.3989 923.6471       
182.7526 1195.423       198.3405 65.95255 6.600137 75.06979 6.293140 -9.117233 
9.119508 
1 1 1 19  10  9  o 73.91147 5.086528  1198.223       151.4001 1318.800       
195.1148 1015.763       240.0167 78.89507 5.890625 68.92786 8.294069 9.967209 
10.17306 
1 1 1 19  10  10 o 180.1736 6.518270  6928.580       455.4508 6858.398       
547.0367 7087.142       822.2504 179.4697 7.260163 180.8775 10.82781 -1.407806 
13.03654 
1 1 1 19  10  11 o 62.11098 6.025386  842.9933       148.4883 605.5012       
205.4648 1102.645       214.8368 52.24434 9.730247 71.97762 7.109387 -19.73328 
12.05077 
1 1 1 19  10  12 o 56.08193 5.937406  676.5232       131.1685 448.5084       
175.5735 964.5390       197.3266 44.82816 9.606739 67.33570 6.980095 -22.50754 
11.87481 
1 1 1 19  10  13 o 53.47134 6.870242  591.5915       146.7128 990.2240       
234.9775 336.9023       187.8214 68.06001 8.223474 38.88269 11.00797 29.17732 
13.74048 
1 1 1 19  10  14 o 44.81727 7.736254  459.6339       144.5143 380.9197       
219.6561 519.7082       191.8938 41.32070 11.97164 48.31384 9.801956 -6.993134 
15.47251 
1 1 1 19  10  15 o 51.11893 7.362117  573.0326       151.7197 689.2092       
232.1194 486.3765       200.4711 55.67620 10.31775 46.56165 10.50462 9.114555 
14.72423 
1 1 1 19  10  16 o 31.03017 8.294579  155.1708       147.6953 186.3501       
219.7751 129.4926       199.4469 32.59592 12.08558 29.46441 11.36393 3.131502 
16.58916 
1 1 1 19  10  17 o 49.38569 7.893580  549.8120       158.6531 551.6852       
243.0512 548.4211       209.4241 49.31490 11.86573 49.45649 10.41340 
-0.1415939     15.78716 
1 1 1 19  10  18 o 109.9418 5.399254  2580.836       248.9984 2661.195       
361.4507 2508.258       343.5079 111.5468 7.718147 108.3367 7.552349 3.210068 
10.79851 
1 1 1 19  10  19 o 125.4588 5.729015  3379.777       285.9158 3392.396       
489.4969 3373.243       352.2516 125.1659 9.315043 125.7517 6.672063 
-0.5857773     11.45803 
1 1 1 19  10  20 o 118.6865 5.307952  3029.972       264.1690 3108.938       
367.9673 2945.986       379.4816 120.3648 7.281664 117.0082 7.724946 3.356621 
10.61590 
1 1 1 19  10  21 o 51.37188 7.797690  612.6872       166.4170 450.6562       
243.7177 754.2285       227.7874 44.00932 12.56516 58.73444 9.237574 -14.72512 
15.59538 
1 1 1 19  10  22 o 112.3361 5.609646  2744.191       261.4591 2722.362       
400.2487 2760.440       345.3203 111.6457 8.539041 113.0265 7.277178 -1.380806 
11.21929 
1 1 1 19  10  23 o 38.90815 8.300955  324.2855       154.6560 527.1519       
235.0761 169.4705       205.3572 47.18465 11.86859 30.63165 11.60862 16.55300 
16.60191 
1 1 1 19  10  24 o 120.7988 5.897075  3189.416       288.1746 3111.644       
360.6591 3326.742       479.2513 119.5280 7.187014 122.0696 9.351407 -2.541618 
11.79415 
1 1 1 19  10  25 o 116.0353 5.093528  2911.247       244.3004 3182.099       
386.8232 2731.533       315.0920 120.1327 7.669592 111.9378 6.704735 8.194885 
10.18706 
1 1 1 19  10  26 o 42.88405 9.016267  464.3662       174.4859 436.8376       
246.6563 491.9412       246.8645 41.64295 12.83978 44.12514 12.66146 -2.482189 
18.03253 
1 1 1 19  10  27 o 25.33611 7.861269  -51.18917      174.3584 -290.7260      
257.9622 150.2883       236.5827 20.93417 10.06311 29.73804 12.08023 -8.803873 
15.72254 
1 1 1 19  10  28 o 24.85811 7.757123  -15.44340      125.3583 184.2259       
287.5425 -62.29919      139.2926 31.64370 13.14543 18.07252 8.239503 13.57118 
15.51425 
1 1 1 19  10  29 o 100.2272 4.993792  2288.856       181.4027 2260.176       
357.7546 2298.782       210.4657 97.81133 8.711986 102.6431 4.883967 -4.831726 
9.987584 
1 1 1 19  10  30 o 54.04780 7.921528  798.2676       146.3625 708.7125       
313.8618 823.1542       165.4539 47.89056 14.42756 60.20504 6.545840 -12.31447 
15.84306 
1 1 1 19  10  31 o 24.12342 7.133421  79.32327       132.1030 -239.3791      
267.5707 182.0467       151.9080 20.95182 10.11475 27.29502 10.06154 -6.343199 
14.26684 
1 1 1 19  10  32 o 31.50602 8.201858  275.3651       134.2944 304.2221       
256.4055 264.4565       157.6472 31.99763 12.74141 31.01441 10.33142 0.9832172 
16.40372 
1 1 1 19  10  33 o 19.49850 6.524025  -79.61249      132.4482 -147.2760      
244.6915 -51.57205      157.5193 20.55293 9.860606 18.44408 8.545178 2.108847 
13.04805 
1 1 1 19  10  34 o 24.75694 7.581618  71.99331       134.1048 377.7647       
252.1830 -48.56700      158.3506 31.50253 12.60420 18.01134 8.429582 13.49120 
15.16324 
1 1 1 19  10  35 o 21.40769 6.846997  73.86236       125.0313 20.11593       
248.5230 92.07597       144.6738 21.76752 10.27227 21.04785 9.055710 0.7196712 
13.69399 
1 1 1 19  11  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  11  1  o 54.16182 7.698998  619.4968       162.7174 799.8250       
280.5086 528.0449       199.7611 59.70919 11.60402 48.61445 10.12151 11.09474 
15.39800 
1 1 1 19  11  2  o 141.4596 4.454094  4242.175       264.3523 4137.610       
365.8258 4356.448       382.4279 139.6514 6.239505 143.2679 6.358019 -3.616501 
8.908189 
1 1 1 19  11  3  o 86.37641 4.423643  1546.371       158.5601 1315.697       
206.9023 1874.631       246.8168 78.75073 6.257946 94.00209 6.254005 -15.25136 
8.847286 
1 1 1 19  11  4  o 96.65852 4.782401  1985.038       194.0453 1938.637       
272.6331 2032.676       276.2455 95.50768 6.799256 97.80936 6.727224 -2.301682 
9.564801 
1 1 1 19  11  5  o 106.5345 4.405143  2409.144       194.4400 2395.045       
299.7082 2419.391       255.5094 106.1749 6.723536 106.8941 5.693435 
-0.7191315     8.810286 
1 1 1 19  11  6  o 53.76638 5.613329  616.0271       126.4849 669.6121       
182.5773 566.5766       175.3922 56.03055 7.761452 51.50221 8.111579 4.528339 
11.22666 
1 1 1 19  11  7  o 86.90736 4.461220  1598.307       162.1809 1416.652       
223.7622 1799.344       235.3965 81.68641 6.524662 92.12833 6.085944 -10.44192 
8.922440 
1 1 1 19  11  8  o 106.1409 4.056662  2387.767       180.4143 2419.363       
248.4378 2352.513       262.4251 106.9166 5.534691 105.3651 5.932387 1.551506 
8.113323 
1 1 1 19  11  9  o 51.41906 6.526821  568.4026       134.4716 538.9354       
170.8411 616.3888       218.0126 50.22388 8.102205 52.61424 10.23483 -2.390366 
13.05364 
1 1 1 19  11  10 o 46.97598 7.463523  490.2322       143.6346 416.4099       
194.3649 579.0548       213.1991 43.02891 10.77323 50.92306 10.33219 -7.894154 
14.92705 
1 1 1 19  11  11 o 73.86501 5.036018  1168.858       153.8376 1113.661       
235.7133 1209.815       203.0424 72.23892 7.772020 75.49108 6.406372 -3.252159 
10.07204 
1 1 1 19  11  12 f 129.4939 5.854023  3584.912       318.1388 3540.110       
442.7898 3632.718       457.3980 128.6817 8.195999 130.3061 8.360856 -1.624359 
11.70805 
1 1 1 19  11  13 o 148.8595 5.742641  4531.706       324.3425 5215.956       
625.0275 4279.545       379.4280 155.7141 9.560757 142.0049 6.364247 13.70920 
11.48528 
1 1 1 19  11  14 o 143.5342 5.662616  4417.813       336.9890 4526.189       
446.3013 4274.076       513.9819 145.7990 7.291126 141.2694 8.666045 4.529663 
11.32523 
1 1 1 19  11  15 o 158.4470 5.574851  5373.644       369.6618 5615.300       
510.7374 5107.770       535.7182 162.3251 7.494334 154.5689 8.255350 7.756256 
11.14970 
1 1 1 19  11  16 o 99.65805 5.677288  2009.463       229.4821 2575.787       
391.4616 1712.945       283.2578 109.6821 8.501091 89.63403 7.527141 20.04803 
11.35458 
1 1 1 19  11  17 o 139.0534 5.096623  4114.528       297.0713 4449.617       
427.9640 3802.921       412.6965 144.5542 7.051760 133.5526 7.360364 11.00157 
10.19325 
1 1 1 19  11  18 o 45.22066 8.415633  458.2270       161.3875 528.7400       
244.0421 403.4211       215.1511 48.17432 12.07792 42.26700 11.72243 5.907318 
16.83127 
1 1 1 19  11  19 o 164.2499 6.069840  5806.463       418.0467 5692.490       
574.8973 5934.355       608.9892 162.6211 8.420436 165.8787 8.744604 -3.257599 
12.13968 
1 1 1 19  11  20 o 73.84157 6.233341  1161.229       191.2784 1045.227       
249.7015 1325.965       297.5674 69.52140 8.555074 78.16174 9.068013 -8.640335 
12.46668 
1 1 1 19  11  21 o 121.5931 6.137202  3223.046       311.0525 3143.022       
464.8881 3287.910       418.5425 119.9459 9.231750 123.2403 8.089240 -3.294426 
12.27440 
1 1 1 19  11  22 o 72.07219 6.424579  1163.582       189.4667 987.6283       
286.7399 1299.939       252.4216 66.71304 10.23761 77.43135 7.764809 -10.71832 
12.84916 
1 1 1 19  11  23 o 24.14594 7.525305  -58.63166      154.9428 -208.2148      
234.1445 57.90012       206.6640 21.64405 10.15124 26.64782 11.11185 -5.003773 
15.05061 
1 1 1 19  11  24 o 42.08826 8.970098  419.7331       177.7794 554.3468       
250.2035 282.4737       252.6503 47.97538 12.35115 36.20115 13.01153 11.77423 
17.94020 
1 1 1 19  11  25 o 22.41899 7.396569  -186.2098      173.1099 -234.9010      
249.7712 -141.2007      240.1414 21.82064 10.29754 23.01735 10.62062 -1.196709 
14.79314 
1 1 1 19  11  26 o 81.69310 6.187793  1523.057       208.8604 1639.358       
280.0108 1377.201       313.5776 85.85577 7.768307 77.53043 9.633718 8.325348 
12.37559 
1 1 1 19  11  27 o 36.92327 8.148885  309.7647       118.2295 375.2068       
279.5461 295.5089       130.4731 38.56012 13.70375 35.28641 8.821815 3.273712 
16.29777 
1 1 1 19  11  28 o 30.94734 8.531093  173.7361       131.1648 301.2866       
303.5994 144.4651       145.4384 35.52080 13.95235 26.37388 9.820905 9.146925 
17.06219 
1 1 1 19  11  29 o 54.31022 8.117518  829.3244       151.0308 629.0699       
327.7807 883.2990       170.1715 45.81139 14.89734 62.80904 6.453359 -16.99765 
16.23504 
1 1 1 19  11  30 o 31.65572 8.542187  172.0627       135.0692 471.9366       
295.5331 92.88589       151.8573 39.58728 14.08801 23.72415 9.664562 15.86314 
17.08437 
1 1 1 19  11  31 o 75.70905 4.855394  1315.189       138.3874 1338.894       
259.3739 1305.756       163.6225 74.61993 8.279280 76.79817 5.074734 -2.178238 
9.710788 
1 1 1 19  11  32 o 25.20080 7.562925  98.76273       125.4571 193.6983       
241.4305 63.64486       146.8391 28.61461 11.97609 21.78698 9.239293 6.827629 
15.12585 
1 1 1 19  11  33 o 21.67591 7.057806  -50.40410      131.5735 145.7984       
246.5447 -128.5354      155.5808 26.63698 11.64254 16.71484 7.981336 9.922136 
14.11561 
1 1 1 19  11  34 o 20.14585 6.455568  25.99826       110.2937 -142.7294      
246.5272 68.22166       123.3242 20.12377 9.713484 20.16793 8.505626 
-0.4416847E-01 12.91114 
1 1 1 19  11  35 o 19.59621 6.463989  0.7596464      125.0696 -136.0353      
253.2439 44.88826       143.8349 19.67522 9.578962 19.51720 8.681940 0.1580181 
12.92798 
1 1 1 19  12  0  o 69.62955 5.574596  1007.286       156.7208 1134.502       
266.5785 940.0943       193.7371 72.76998 8.725573 66.48913 6.940381 6.280853 
11.14919 
1 1 1 19  12  1  o 127.7735 8.650653  3497.234       464.0540 0.000000       
0.000000 3497.234       464.0540 ?        ?        127.7735 8.650653 ? ? 
1 1 1 19  12  2  o 145.9800 10.28389  4603.613       630.2748 4603.613       
630.2748 0.000000       0.000000 145.9800 10.28389 ?        ?        ? ? 
1 1 1 19  12  3  o 112.5094 4.948559  2704.869       227.8567 2748.525       
292.7951 2637.833       362.8283 113.8403 6.126168 111.1786 7.773225 2.661728 
9.897119 
1 1 1 19  12  4  o 165.4000 6.397545  5873.202       444.0956 5779.311       
632.9644 5964.230       623.2405 164.0399 9.190751 166.7602 8.901935 -2.720322 
12.79509 
1 1 1 19  12  5  o 128.5488 5.085834  3511.209       269.5135 3552.418       
424.2265 3483.321       348.9929 129.0140 7.832168 128.0836 6.489991 0.9304047 
10.17167 
1 1 1 19  12  6  o 82.43634 4.976493  1447.289       171.2967 1644.685       
245.2862 1259.373       239.3240 87.98936 6.639939 76.88332 7.414386 11.10604 
9.952986 
1 1 1 19  12  7  o 30.45852 6.709485  167.8818       111.8053 342.3164       
154.8201 -22.24269      161.6330 39.13688 9.503839 21.78017 9.473427 17.35671 
13.41897 
1 1 1 19  12  8  f 20.46949 6.505480  -126.9436      124.0654 -277.3446      
176.6405 19.48635       174.2929 16.91914 8.177453 24.01984 10.12000 -7.100704 
13.01096 
1 1 1 19  12  9  o 146.1637 5.183675  4549.830       316.2924 4542.966       
425.2597 4558.327       473.1777 146.1529 6.930550 146.1745 7.710346 
-0.2151489E-01 10.36735 
1 1 1 19  12  10 o 172.3778 6.742429  6486.676       474.2141 6850.074       
614.0021 5949.463       746.5378 179.0081 8.169926 165.7475 10.72817 13.26062 
13.48486 
1 1 1 19  12  11 o 89.25368 4.920279  1700.335       183.6672 1840.663       
257.1752 1554.255       262.3926 93.08718 6.580521 85.42019 7.316647 7.666992 
9.840558 
1 1 1 19  12  12 o 138.0078 5.731220  4070.319       331.9786 4048.208       
474.3108 4091.553       464.8105 137.6088 8.209903 138.4069 7.999064 
-0.7981567     11.46244 
1 1 1 19  12  13 o 102.1094 4.800084  1995.040       192.1801 2877.286       
359.4712 1641.964       227.4070 116.2264 7.366824 87.99229 6.155739 28.23415 
9.600168 
1 1 1 19  12  14 o 32.21820 7.659816  192.2527       127.1889 91.49504       
171.0600 316.8242       190.2036 26.55379 10.45936 37.88261 11.19343 -11.32882 
15.31963 
1 1 1 19  12  15 o 141.2296 6.494032  4298.281       380.7613 4169.965       
578.1877 4396.543       505.9658 139.1057 9.900227 143.3535 8.406862 -4.247849 
12.98806 
1 1 1 19  12  16 o 114.4186 4.783505  2780.751       228.2563 2763.266       
305.3054 2802.911       343.7014 114.0916 6.373848 114.7456 7.134545 
-0.6539612     9.567010 
1 1 1 19  12  17 o 90.43263 5.302291  1733.439       200.4559 1866.301       
300.8933 1627.416       268.7902 93.49524 7.665565 87.37002 7.327775 6.125221 
10.60458 
1 1 1 19  12  18 o 28.16968 7.907974  101.3039       136.9515 84.72067       
223.9717 111.2069       173.0783 28.93335 11.75369 27.40601 10.58277 1.527342 
15.81595 
1 1 1 19  12  19 o 69.09402 6.731292  1044.515       178.8653 1571.222       
268.8384 626.1857       239.5883 85.66418 7.475033 52.52386 11.19665 33.14033 
13.46258 
1 1 1 19  12  20 o 85.83049 5.556957  1555.085       198.1717 1813.689       
308.3196 1373.044       258.6835 91.75391 8.003826 79.90708 7.710891 11.84682 
11.11391 
1 1 1 19  12  21 f 69.66048 6.689225  1072.591       190.8315 1006.025       
299.0878 1118.297       247.8334 67.47097 10.55851 71.84998 8.215881 -4.379013 
13.37845 
1 1 1 19  12  22 o 137.1462 6.053797  4073.461       343.9720 4294.199       
536.8793 3919.762       447.9959 139.9095 9.140096 134.3829 7.940559 5.526535 
12.10759 
1 1 1 19  12  23 o 51.23891 7.256309  602.4423       150.6309 557.7734       
207.9807 651.7230       218.4535 49.13518 10.40099 53.34264 10.12105 -4.207462 
14.51262 
1 1 1 19  12  24 o 40.06773 9.211944  371.8716       179.6736 455.7156       
258.7573 293.8072       249.6795 43.52052 13.09773 36.61494 12.95720 6.905579 
18.42389 
1 1 1 19  12  25 o 32.36959 8.939960  172.2367       180.2184 66.94291       
249.8862 286.3656       260.1588 28.55371 12.07801 36.18547 13.18382 -7.631767 
17.87992 
1 1 1 19  12  26 o 107.1157 6.968123  2579.699       306.2517 2390.424       
388.4896 2890.409       497.7491 102.7878 9.002416 111.4437 10.63840 -8.655907 
13.93625 
1 1 1 19  12  27 o 60.22015 6.873724  744.6589       143.9979 1078.772       
314.8865 656.3125       161.9205 66.06077 11.77674 54.37953 7.092305 11.68124 
13.74745 
1 1 1 19  12  28 o 27.22437 7.586565  136.9192       131.9812 -163.0849      
291.6967 214.1460       147.9967 24.34602 11.40262 30.10271 10.01020 -5.756697 
15.17313 
1 1 1 19  12  29 o 67.22779 5.446014  904.7742       126.4400 1294.231       
290.5862 813.8176       140.4308 73.60872 9.403008 60.84686 5.497248 12.76186 
10.89203 
1 1 1 19  12  30 o 33.51888 8.456404  254.6018       135.1730 428.0819       
268.7856 195.8738       156.3882 38.46490 13.46036 28.57286 10.24020 9.892040 
16.91281 
1 1 1 19  12  31 o 22.44011 7.028284  21.84047       129.5822 -108.4916      
238.5528 76.39427       154.3375 21.93129 10.27883 22.94894 9.588160 -1.017651 
14.05657 
1 1 1 19  12  32 o 28.34444 6.968988  81.51228       109.0934 462.9259       
206.4077 -66.33594      128.5097 40.03514 11.60688 16.65375 7.716710 23.38138 
13.93798 
1 1 1 19  12  33 o 23.78190 7.152707  85.99256       134.2317 -153.7284      
253.7120 179.1786       158.1844 21.04435 10.08290 26.51945 10.14790 -5.475101 
14.30541 
1 1 1 19  12  34 o 18.57697 6.175459  -74.71167      124.0708 -363.0272      
251.8150 17.71782       142.5781 17.82035 8.844573 19.33359 8.620830 -1.513239 
12.35092 
1 1 1 19  12  35 o 21.14135 6.862177  49.56357       126.9016 3.943777       
261.1770 63.66204       145.1925 22.01568 10.45097 20.26701 8.895799 1.748667 
13.72435 
1 1 1 19  13  0  o 138.7402 6.544876  4113.611       378.6890 4305.164       
574.5190 3966.452       503.5627 141.4370 9.675252 136.0433 8.816525 5.393723 
13.08975 
1 1 1 19  13  1  o 110.6487 5.609855  2599.860       252.2430 2669.011       
414.3775 2559.151       317.9349 111.5868 8.845138 109.7106 6.902567 1.876152 
11.21971 
1 1 1 19  13  2  o 116.6798 5.753643  2902.887       281.5224 2772.519       
387.0110 3049.399       410.2721 113.9150 8.092139 119.4446 8.181376 -5.529602 
11.50729 
1 1 1 19  13  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  13  4  o 55.64727 7.858319  698.1021       177.1925 607.5730       
273.0363 763.9713       232.8987 51.67353 12.66652 59.62101 9.304409 -7.947487 
15.71664 
1 1 1 19  13  5  o 82.88310 4.462203  1449.172       153.9060 1395.768       
202.9964 1521.372       236.0318 81.14661 5.958529 84.61959 6.643864 -3.472977 
8.924405 
1 1 1 19  13  6  o 30.04614 7.104665  181.0556       107.6127 238.4314       
150.9962 121.8328       153.4072 33.08972 10.01479 27.00256 10.08013 6.087156 
14.20933 
1 1 1 19  13  7  o 146.1998 4.926926  4532.689       300.5285 4669.392       
453.7417 4425.852       401.1278 148.0638 7.299297 144.3359 6.619566 3.727859 
9.853852 
1 1 1 19  13  8  o 76.58979 5.086071  1246.726       163.0758 1276.697       
241.0452 1221.430       221.4472 77.40299 7.417572 75.77659 6.960754 1.626404 
10.17214 
1 1 1 19  13  9  f 122.7340 5.479206  3215.960       278.4389 3224.147       
365.1911 3204.594       430.3201 123.0886 7.066813 122.3794 8.375377 0.7091522 
10.95841 
1 1 1 19  13  10 o 46.29916 6.819811  467.7214       127.3039 558.8622       
197.0177 402.3929       166.8015 50.16086 9.701647 42.43747 9.587354 7.723389 
13.63962 
1 1 1 19  13  11 o 118.1569 5.130812  2970.979       254.2100 3010.884       
369.7708 2935.215       350.0535 118.8730 7.409188 117.4409 7.099637 1.432076 
10.26162 
1 1 1 19  13  12 o 31.15232 7.879332  173.9848       135.8293 72.10121       
199.8623 261.4323       185.1622 27.34358 11.10468 34.96106 11.18130 -7.617477 
15.75866 
1 1 1 19  13  13 o 69.47707 5.359780  1015.643       155.1765 1203.655       
233.9240 867.8884       207.3726 75.16814 7.412455 63.78600 7.743673 11.38214 
10.71956 
1 1 1 19  13  14 o 137.9788 5.722533  4067.361       331.4664 4027.999       
470.3355 4106.201       467.2087 137.2957 8.159659 138.6619 8.025553 -1.366226 
11.44507 
1 1 1 19  13  15 o 55.32636 6.927630  697.9134       152.1605 478.7449       
222.5217 890.3936       208.5336 46.04276 11.52680 64.60995 7.687723 -18.56719 
13.85526 
1 1 1 19  13  16 o 69.73728 6.119184  1041.553       179.0498 1093.685       
256.5549 992.0508       250.0016 71.45406 8.552132 68.02050 8.754352 3.433563 
12.23837 
1 1 1 19  13  17 o 95.35738 5.246952  1928.114       208.7446 2039.073       
316.5887 1842.772       277.6483 97.70806 7.717668 93.00669 7.110529 4.701370 
10.49390 
1 1 1 19  13  18 o 44.32648 7.338441  472.8620       140.6007 239.2478       
226.5376 619.2362       179.3177 34.87691 12.34213 53.77605 7.942464 -18.89914 
14.67688 
1 1 1 19  13  19 o 108.2681 5.523340  2514.543       250.7263 2520.703       
364.2336 2508.995       345.6563 108.3345 8.008190 108.2016 7.609074 0.1328506 
11.04668 
1 1 1 19  13  20 o 74.94956 6.082480  1187.501       188.6750 1509.539       
290.3539 952.1361       248.2251 83.62964 8.269675 66.26949 8.921812 17.36015 
12.16496 
1 1 1 19  13  21 o 39.62152 8.588202  337.8169       160.8348 495.3644       
242.6296 214.3243       214.8119 46.12024 12.30061 33.12280 11.98848 12.99743 
17.17640 
1 1 1 19  13  22 o 91.92907 5.622659  1829.551       216.3118 1636.528       
298.4853 2043.053       313.9201 86.74101 8.196330 97.11713 7.699179 -10.37611 
11.24532 
1 1 1 19  13  23 o 27.78148 7.220047  96.55730       131.3501 272.6342       
171.0003 -156.8429      205.1395 34.67186 10.69087 20.89109 9.706780 13.78078 
14.44009 
1 1 1 19  13  24 o 27.32182 8.243461  -31.59937      179.3554 -236.9513      
251.8647 179.6694       255.4674 22.07645 10.39546 32.56719 12.79660 -10.49074 
16.48692 
1 1 1 19  13  25 o 40.15546 9.612857  384.7254       193.0182 411.5123       
256.3282 349.6449       293.3379 41.23089 13.15260 39.08002 14.02273 2.150864 
19.22571 
1 1 1 19  13  26 o 34.68321 7.834679  305.0112       132.5463 57.65575       
287.8914 371.5473       149.3126 29.53409 12.74137 39.83233 9.120645 -10.29824 
15.66936 
1 1 1 19  13  27 o 52.24746 7.869406  723.8652       140.5922 546.1582       
307.3343 770.8951       158.1053 45.21988 14.39953 59.27503 6.353246 -14.05515 
15.73881 
1 1 1 19  13  28 f 60.52483 7.509650  908.4204       145.3094 854.0463       
323.2872 922.1865       162.6670 56.26597 13.77716 64.78369 5.980740 -8.517723 
15.01930 
1 1 1 19  13  29 f 27.04430 8.050940  87.91548       131.2060 194.5329       
283.1867 58.77242       148.0561 31.54014 13.07040 22.54845 9.403993 8.991695 
16.10188 
1 1 1 19  13  30 o 55.15158 6.627366  715.5397       138.4429 822.0803       
252.1091 669.5409       165.6549 56.31017 11.05819 53.99300 7.307821 2.317165 
13.25473 
1 1 1 19  13  31 o 28.47742 7.669514  196.1037       132.2583 49.07723       
244.4936 256.9250       157.2526 25.56266 11.34966 31.39218 10.31848 -5.829519 
15.33903 
1 1 1 19  13  32 o 24.06732 7.333362  81.32235       125.3714 67.51764       
237.6865 86.64356       147.5693 25.31331 11.22083 22.82133 9.444880 2.491978 
14.66672 
1 1 1 19  13  33 f 25.93764 7.566813  72.35020       116.6072 354.9168       
245.1823 -10.24569      132.5586 33.50777 12.68857 18.36751 8.247843 15.14027 
15.13363 
1 1 1 19  13  34 o 22.65745 7.178249  -42.76439      123.4232 290.5681       
248.4306 -151.9998      142.2158 30.06393 12.32316 15.25097 7.365374 14.81296 
14.35650 
1 1 1 19  13  35 o 22.52084 7.252524  33.78252       125.8823 271.6291       
261.1297 -38.22422      143.6793 27.67330 12.03902 17.36838 8.090634 10.30493 
14.50505 
1 1 1 19  14  0  o 89.01186 5.224849  1677.172       191.2229 1740.562       
305.1683 1636.190       245.3685 90.26556 8.052642 87.75814 6.659667 2.507423 
10.44970 
1 1 1 19  14  1  o 32.66355 7.378973  224.4665       129.0101 -7.898247      
218.5621 348.7169       159.8228 25.83953 11.12405 39.48757 9.698072 -13.64804 
14.75795 
1 1 1 19  14  2  o 125.1565 6.044741  3319.381       311.5073 3522.087       
497.1921 3188.390       399.6784 128.0648 9.247313 122.2481 7.787345 5.816643 
12.08948 
1 1 1 19  14  3  o 24.14306 7.525479  -42.12190      145.0821 -178.5214      
259.8812 19.63512       174.8685 24.22197 11.12478 24.06415 10.13758 0.1578178 
15.05096 
1 1 1 19  14  4  o 51.74781 8.437138  585.0015       177.6869 743.6898       
282.0323 480.5560       228.8080 57.38555 12.08568 46.11007 11.77614 11.27548 
16.87428 
1 1 1 19  14  5  o 29.52727 11.82109  102.0335       222.0123 102.0335       
222.0123 0.000000       0.000000 29.52727 11.82109 ?        ?        ? ? 
1 1 1 19  14  6  o 76.19081 4.983562  1215.172       157.9948 1393.469       
244.0457 1086.524       207.3009 80.90397 7.184927 71.47766 6.907994 9.426308 
9.967124 
1 1 1 19  14  7  o 62.38547 5.427568  791.2652       138.6702 1030.651       
228.4147 651.5346       174.5099 69.48717 7.829617 55.28377 7.518714 14.20341 
10.85514 
1 1 1 19  14  8  o 89.66119 5.195776  1707.400       195.2343 1576.950       
268.4995 1853.748       284.3913 86.02274 7.434492 93.29964 7.260349 -7.276894 
10.39155 
1 1 1 19  14  9  o 30.97981 7.902879  175.3622       133.1050 219.4858       
185.8790 128.9243       190.6912 32.91261 11.21843 29.04702 11.13413 3.865582 
15.80576 
1 1 1 19  14  10 o 149.1860 5.794915  4756.247       360.5482 4769.310       
542.0681 4745.882       482.8403 149.2157 8.652877 149.1564 7.710505 
0.5929565E-01  11.58983 
1 1 1 19  14  11 o 24.85667 7.265878  9.143541       127.4989 130.1883       
192.5351 -85.39465      170.1534 29.18853 11.18799 20.52480 9.273664 8.663734 
14.53176 
1 1 1 19  14  12 o 76.26765 4.783613  1251.808       150.9496 1116.043       
225.5294 1361.985       203.1676 72.37910 7.421830 80.15621 6.037238 -7.777115 
9.567225 
1 1 1 19  14  13 o 90.48927 4.994855  1742.129       189.7077 1692.927       
267.7907 1791.697       268.7866 89.19160 7.151426 91.78693 6.975057 -2.595322 
9.989711 
1 1 1 19  14  14 o 60.08181 6.100180  759.4684       152.3966 876.7209       
236.2741 675.9378       199.4242 63.95914 8.799024 56.20447 8.451389 7.754677 
12.20036 
1 1 1 19  14  15 o 84.11484 5.191616  1507.354       182.8695 1651.378       
261.4879 1369.487       255.8377 88.09248 7.070235 80.13720 7.604162 7.955276 
10.38323 
1 1 1 19  14  16 o 65.44761 6.026782  924.5158       162.5361 878.5760       
251.6702 957.3879       212.8880 63.90292 9.380634 66.99230 7.569155 -3.089382 
12.05356 
1 1 1 19  14  17 o 116.8303 5.060459  2877.840       244.7783 3092.437       
384.5312 2731.640       317.3891 120.3373 7.611187 113.3234 6.671042 7.013924 
10.12092 
1 1 1 19  14  18 o 29.36666 8.212988  113.7120       150.0750 93.26634       
223.6767 130.4516       202.3921 29.18939 11.79059 29.54395 11.43655 
-0.3545589     16.42598 
1 1 1 19  14  19 f 158.3439 5.344293  5374.848       355.2260 5457.640       
501.0326 5291.170       503.7089 159.6049 7.477233 157.0830 7.637858 2.521881 
10.68859 
1 1 1 19  14  20 o 102.5147 5.468964  2261.635       235.2980 2250.271       
336.7150 2272.481       328.9443 102.2267 7.845473 102.8027 7.621470 
-0.5760193     10.93793 
1 1 1 19  14  21 o 101.4846 5.192062  2219.103       220.9142 2245.811       
305.7128 2189.915       319.5886 102.1986 7.125077 100.7706 7.554027 1.428055 
10.38412 
1 1 1 19  14  22 o 28.36634 7.009137  149.7484       117.7345 264.3810       
143.4571 -86.75655      206.0574 34.13166 9.606823 22.60102 10.20887 11.53064 
14.01827 
1 1 1 19  14  23 o 84.07614 4.414880  1493.679       149.2957 1433.573       
184.6113 1607.290       253.8103 81.92603 5.367320 86.22626 7.011173 -4.300224 
8.829761 
1 1 1 19  14  24 o 75.48091 6.683312  1276.485       210.3636 1367.581       
289.2661 1174.226       306.4777 78.66431 8.758723 72.29752 10.09710 6.366791 
13.36662 
1 1 1 19  14  25 o 70.84042 7.555544  1161.670       216.8345 1368.972       
311.0936 965.8034       302.3923 77.99559 9.500403 63.68526 11.75106 14.31033 
15.11109 
1 1 1 19  14  26 o 35.82190 8.743705  249.9839       133.0742 420.3362       
304.7331 209.8432       147.9241 41.20943 14.34066 30.43437 10.00775 10.77506 
17.48741 
1 1 1 19  14  27 o 37.54593 7.774332  280.2769       111.8057 502.0403       
245.9236 222.4971       125.5288 44.30268 12.61329 30.78918 9.092079 13.51351 
15.54866 
1 1 1 19  14  28 o 48.88305 7.709627  681.6891       136.6764 402.9988       
296.2968 757.0178       154.0444 39.18290 14.08993 58.58321 6.263164 -19.40031 
15.41925 
1 1 1 19  14  29 o 91.64732 5.050793  1797.384       179.4483 2176.041       
334.8750 1644.852       212.5402 96.98657 8.224173 86.30807 5.865578 10.67850 
10.10159 
1 1 1 19  14  30 o 28.96761 8.010798  169.2501       130.3758 255.0207       
243.7228 134.8677       154.3104 32.21516 12.53365 25.72006 9.979942 6.495092 
16.02160 
1 1 1 19  14  31 o 59.26178 7.041676  925.4282       152.8517 772.6733       
268.7770 998.4458       185.8267 52.45246 12.38800 66.07111 6.699118 -13.61864 
14.08335 
1 1 1 19  14  32 o 60.13739 7.158873  999.4859       149.0691 782.5327       
279.0033 1086.162       176.3505 51.18919 12.96265 69.08559 6.080094 -17.89640 
14.31775 
1 1 1 19  14  33 o 23.37478 6.756193  87.43130       120.3525 -237.5644      
242.6433 193.4769       138.6040 19.49196 9.455189 27.25760 9.653186 -7.765644 
13.51239 
1 1 1 19  14  34 o 37.92420 7.837456  422.7665       121.5237 469.3673       
257.8790 409.4637       137.7814 36.35085 13.13751 39.49755 8.550360 -3.146702 
15.67491 
1 1 1 19  14  35 f 38.47178 7.921454  351.1926       124.6186 889.4282       
266.3762 200.3857       141.0002 50.83750 12.54167 26.10605 9.680097 24.73144 
15.84291 
1 1 1 19  15  0  o 69.83952 5.854994  1075.629       161.8147 938.5090       
268.9834 1153.395       202.5688 65.99649 9.707909 73.68254 6.548307 -7.686050 
11.70999 
1 1 1 19  15  1  o 101.5168 5.731695  2190.080       231.5049 2240.857       
398.3341 2164.181       284.4834 102.1187 9.291017 100.9150 6.714634 1.203720 
11.46339 
1 1 1 19  15  2  o 57.36736 7.348068  744.4170       165.1420 645.2819       
268.7017 804.5923       209.3467 53.37067 12.24523 61.36404 8.125933 -7.993370 
14.69614 
1 1 1 19  15  3  o 67.26561 6.035495  934.4658       167.4045 1180.003       
268.2508 777.8452       214.2430 74.23778 8.606709 60.29345 8.463648 13.94433 
12.07099 
1 1 1 19  15  4  f 125.6865 6.667759  3330.294       325.9548 3225.602       
390.4802 3570.909       591.9741 123.0163 7.560620 128.3567 10.98513 -5.340385 
13.33552 
1 1 1 19  15  5  o 22.58771 7.158741  -145.8757      144.8159 -284.8972      
192.3409 36.07754       220.0446 17.92791 8.635383 27.24751 11.42018 -9.319605 
14.31748 
1 1 1 19  15  6  f 83.81878 6.564510  1491.979       231.0056 0.000000       
0.000000 1491.979       231.0056 ?        ?        83.81878 6.564510 ? ? 
1 1 1 19  15  7  o 105.6666 5.201523  2336.620       228.0313 2648.667       
357.4658 2122.511       296.1021 111.4510 7.639617 99.88220 7.061135 11.56879 
10.40305 
1 1 1 19  15  8  o 27.52687 7.568226  73.22195       131.2747 -32.24182      
176.1214 205.0589       196.9151 22.47211 9.831046 32.58164 11.50925 -10.10953 
15.13645 
1 1 1 19  15  9  o 97.91875 5.186934  2025.038       212.0630 2202.257       
321.0812 1887.920       282.4280 101.6505 7.523612 94.18702 7.142295 7.463470 
10.37387 
1 1 1 19  15  10 o 70.91789 4.924274  1079.606       145.1005 927.1730       
208.8733 1221.777       201.7198 65.95467 7.543249 75.88112 6.331928 -9.926453 
9.848549 
1 1 1 19  15  11 o 121.5651 5.420188  3149.310       272.1017 3162.312       
425.0984 3140.285       354.1612 121.6071 8.326292 121.5231 6.941659 
0.8402252E-01  10.84038 
1 1 1 19  15  12 o 64.80185 5.656491  887.1797       151.7877 1115.325       
226.5970 701.4871       204.4306 72.35113 7.459848 57.25257 8.504953 15.09855 
11.31298 
1 1 1 19  15  13 o 96.23151 5.373528  1945.361       215.3877 2309.137       
326.6481 1665.522       286.4949 104.0987 7.474050 88.36435 7.722552 15.73431 
10.74706 
1 1 1 19  15  14 o 73.76736 5.221321  1113.585       158.4737 1433.459       
255.7644 914.2552       201.9002 82.02025 7.427455 65.51448 7.340415 16.50577 
10.44264 
1 1 1 19  15  15 o 29.26816 8.036884  123.8867       141.1933 114.1707       
209.2822 132.0035       191.2843 29.34074 11.56526 29.19558 11.16292 0.1451607 
16.07377 
1 1 1 19  15  16 o 89.88863 5.104687  1726.005       189.8207 1695.597       
293.1450 1747.962       249.0960 89.08571 7.837824 90.69154 6.542157 -1.605835 
10.20937 
1 1 1 19  15  17 o 25.91839 7.701818  -14.77963      148.2979 135.3237       
219.8965 -140.0012      200.8457 30.54335 11.90072 21.29343 9.779821 9.249918 
15.40364 
1 1 1 19  15  18 o 40.94613 8.376715  380.2090       153.4292 315.1354       
227.8739 434.1745       207.5155 38.16175 12.42122 43.73051 11.24236 -5.568760 
16.75343 
1 1 1 19  15  19 f 85.64185 5.633353  1587.810       200.5213 1483.291       
299.3096 1672.922       270.0951 82.89983 8.599796 88.38386 7.278884 -5.484032 
11.26671 
1 1 1 19  15  20 o 87.76330 5.606967  1672.815       204.0661 1569.829       
307.7826 1753.600       272.5964 85.12728 8.611847 90.39931 7.182508 -5.272034 
11.21393 
1 1 1 19  15  21 o 41.06839 7.822583  399.0185       141.4202 487.6068       
185.4264 275.8381       218.6524 46.30362 9.835047 35.83315 12.16729 10.47047 
15.64517 
1 1 1 19  15  22 o 47.71972 7.519106  512.1172       144.4928 454.6821       
185.1918 601.4863       231.0080 44.49053 10.13724 50.94891 11.10784 -6.458378 
15.03821 
1 1 1 19  15  23 o 130.9122 4.083157  3489.444       212.9172 3136.230       
257.6077 4250.928       378.2427 121.2816 5.059238 140.5429 6.410365 -19.26131 
8.166313 
1 1 1 19  15  24 o 42.71817 9.634408  436.5243       194.1900 425.5780       
265.8967 449.0361       284.2758 42.20735 13.38894 43.22899 13.85725 -1.021645 
19.26882 
1 1 1 19  15  25 o 58.79285 6.967732  669.6950       133.4952 1020.744       
322.5535 597.1359       146.6439 65.17809 12.23834 52.40762 6.664855 12.77048 
13.93546 
1 1 1 19  15  26 o 54.50498 7.515738  552.0797       141.4115 1061.445       
321.1735 429.5871       157.4997 66.08012 12.02109 42.92984 9.024334 23.15028 
15.03148 
1 1 1 19  15  27 o 49.82623 8.158133  528.2186       136.6394 784.6427       
324.1539 472.8109       150.6804 54.43896 14.08070 45.21349 8.243452 9.225475 
16.31627 
1 1 1 19  15  28 o 81.27171 6.294450  1590.373       192.4761 1353.200       
341.7633 1700.543       232.9286 74.77284 10.88686 87.77059 6.321134 -12.99775 
12.58890 
1 1 1 19  15  29 o 46.51134 6.482427  515.3115       116.0437 527.1963       
205.3177 509.7331       140.6658 45.48396 10.88182 47.53871 7.047941 -2.054745 
12.96485 
1 1 1 19  15  30 o 67.09250 6.515368  1140.500       159.2837 925.9755       
275.9830 1247.651       195.0481 59.54602 11.44801 74.63897 6.224394 -15.09295 
13.03074 
1 1 1 19  15  31 o 26.29751 7.247596  150.0390       110.7989 112.8657       
208.1021 164.7458       130.8942 26.22465 11.05392 26.37037 9.376640 
-0.1457291     14.49519 
1 1 1 19  15  32 o 27.92174 7.853675  137.1299       124.3819 335.2577       
244.2025 67.72485       144.5350 33.82856 12.70019 22.01492 9.242622 11.81363 
15.70735 
1 1 1 19  15  33 o 21.81201 6.916367  29.14538       119.7644 -30.93503      
242.7776 48.46855       137.6833 22.92694 10.61693 20.69708 8.867095 2.229860 
13.83273 
1 1 1 19  15  34 o 24.12495 7.411704  48.22493       120.4403 285.1235       
248.2297 -24.71643      137.7398 30.23027 12.34252 18.01962 8.209486 12.21065 
14.82341 
1 1 1 19  15  35 o 32.02001 7.297244  359.4572       126.9348 148.0347       
264.4016 422.7807       144.7007 25.21925 11.45857 38.82077 9.038822 -13.60152 
14.59449 
1 1 1 19  15  36 o 26.77977 7.772230  214.4200       121.7079 353.9602       
263.2540 176.4866       137.2575 29.10914 12.35907 24.45040 9.427806 4.658739 
15.54446 
1 1 1 19  16  0  o 63.13134 5.985393  839.9869       155.6895 929.2567       
249.7742 783.2647       199.1002 65.73232 9.050856 60.53035 7.834648 5.201969 
11.97079 
1 1 1 19  16  1  o 127.8345 5.898348  3488.026       312.9383 3569.482       
482.5377 3428.899       411.1159 128.9415 8.913734 126.7276 7.727055 2.213837 
11.79670 
1 1 1 19  16  2  o 87.14114 5.673841  1594.629       204.6053 1785.376       
323.7886 1467.829       263.9925 91.32188 8.445158 82.96039 7.579524 8.361496 
11.34768 
1 1 1 19  16  3  o 89.13190 4.903537  1695.848       180.6227 1726.927       
236.8081 1652.617       279.2961 90.22022 6.251924 88.04359 7.555934 2.176636 
9.807074 
1 1 1 19  16  4  o 86.68851 5.882872  1589.305       210.9471 1508.858       
272.9052 1708.717       332.4911 84.10285 7.728979 89.27417 8.871056 -5.171318 
11.76574 
1 1 1 19  16  5  o 88.69702 5.857296  1691.540       206.1736 1712.174       
254.2468 1651.911       352.3385 89.76305 6.746506 87.63100 9.576864 2.132042 
11.71459 
1 1 1 19  16  6  o 63.18147 5.547916  843.0002       145.2005 1057.010       
216.6470 668.4734       195.6443 70.45283 7.324457 55.91010 8.334855 14.54273 
11.09583 
1 1 1 19  16  7  o 90.67101 5.826798  1688.981       217.4447 2174.802       
350.2773 1384.379       277.3579 100.8602 8.272050 80.48180 8.208503 20.37843 
11.65360 
1 1 1 19  16  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  16  9  o 37.43922 8.674148  298.2246       156.7194 317.0594       
204.9714 271.7181       243.1584 38.05857 11.69856 36.81987 12.81043 1.238705 
17.34830 
1 1 1 19  16  10 f 86.91595 4.617653  1600.794       168.2100 1656.725       
246.6868 1552.191       229.9624 88.31325 6.653363 85.51865 6.404969 2.794601 
9.235306 
1 1 1 19  16  11 f 85.85201 4.602296  1570.254       164.6026 1517.923       
246.2456 1612.523       221.3120 84.48772 6.942183 87.21629 6.044055 -2.728577 
9.204592 
1 1 1 19  16  12 o 102.1615 4.867473  2193.294       207.3668 2446.329       
316.4945 2002.964       274.4920 107.2366 7.029823 97.08640 6.734298 10.15015 
9.734946 
1 1 1 19  16  13 o 138.8393 5.036381  4075.004       291.6144 4333.528       
443.5494 3878.180       387.0170 142.6141 7.407994 135.0645 6.825111 7.549530 
10.07276 
1 1 1 19  16  14 o 25.96955 7.595737  47.38076       134.5607 45.43869       
198.4398 49.03385       183.0818 26.34687 10.93117 25.59223 10.54942 0.7546444 
15.19147 
1 1 1 19  16  15 o 51.44556 7.353870  562.8498       155.5704 828.3089       
241.2496 373.8841       203.5445 62.05941 9.259339 40.83171 11.42726 21.22770 
14.70774 
1 1 1 19  16  16 o 26.44875 7.780654  43.49718       142.0251 53.57000       
212.7274 35.39651       190.7695 27.36805 11.33407 25.52945 10.66270 1.838600 
15.56131 
1 1 1 19  16  17 o 47.75130 7.780848  515.1974       152.5771 525.5502       
224.3470 506.2884       208.1189 48.14627 11.28382 47.35633 10.71642 0.7899399 
15.56170 
1 1 1 19  16  18 o 59.54273 6.706994  767.2559       167.5200 786.7304       
242.9877 749.6152       231.2649 60.23796 9.608046 58.84749 9.360583 1.390472 
13.41399 
1 1 1 19  16  19 f 56.65348 7.297869  699.3705       166.1563 1046.387       
253.5757 438.2726       219.9554 69.56873 8.681898 43.73824 11.73287 25.83048 
14.59574 
1 1 1 19  16  20 o 25.58285 7.435226  54.96188       130.0225 109.9042       
168.5865 -25.69835      204.2674 26.93604 10.43558 24.22967 10.59382 2.706371 
14.87045 
1 1 1 19  16  21 o 24.31233 7.174017  43.66358       114.8348 47.27525       
138.1733 35.59779       206.4873 22.52594 9.204650 26.09872 11.00639 -3.572781 
14.34803 
1 1 1 19  16  22 f 92.65892 4.528952  1827.565       174.9424 1715.570       
231.4993 1976.673       267.1177 89.45528 6.164031 95.86256 6.637044 -6.407280 
9.057904 
1 1 1 19  16  23 o 73.83016 5.268727  1179.917       162.5936 1142.822       
218.5479 1225.900       243.3271 72.62748 7.167483 75.03284 7.724320 -2.405365 
10.53745 
1 1 1 19  16  24 o 101.6220 5.213292  2082.133       181.8279 2560.867       
411.4447 1965.946       202.6950 107.3264 9.131156 95.91759 5.033450 11.40884 
10.42658 
1 1 1 19  16  25 o 59.50334 7.173510  749.8446       143.1117 942.1864       
319.7650 701.6677       160.0341 62.22699 12.67942 56.77969 6.713373 5.447304 
14.34702 
1 1 1 19  16  26 o 69.72525 7.089478  1136.108       157.2397 1108.147       
350.2801 1143.165       175.9653 66.79994 12.95223 72.65057 5.769114 -5.850624 
14.17896 
1 1 1 19  16  27 o 31.11047 8.083258  213.2029       128.2675 129.1308       
276.9573 236.1595       144.7240 30.59664 12.81752 31.62430 9.852282 -1.027658 
16.16652 
1 1 1 19  16  28 o 35.40457 7.739498  324.1026       127.5177 214.1820       
236.3421 369.2424       151.4542 31.71820 12.34198 39.09094 9.342108 -7.372738 
15.47900 
1 1 1 19  16  29 o 20.60998 6.737108  -74.86883      120.6742 -47.16213      
232.9691 -85.02871      141.0750 23.68861 10.76119 17.53134 8.108715 6.157265 
13.47422 
1 1 1 19  16  30 o 34.58589 8.008694  307.1735       126.4355 317.1755       
241.1145 303.3802       148.4883 34.55555 12.68210 34.61624 9.783718 
-0.6069183E-01 16.01739 
1 1 1 19  16  31 o 20.58596 6.582505  -13.17038      114.6935 -197.0813      
240.6804 40.86451       130.4590 20.64513 9.874492 20.52679 8.707002 0.1183472 
13.16501 
1 1 1 19  16  32 o 36.67165 7.225473  330.2746       104.3307 441.6531       
207.5976 292.6381       120.6775 39.25080 11.71538 34.09249 8.460480 5.158310 
14.45095 
1 1 1 19  16  33 o 21.31080 6.499718  16.47066       120.7340 -382.2429      
248.2130 140.0418       138.1824 18.03354 8.911733 24.58806 9.463951 -6.554527 
12.99944 
1 1 1 19  16  34 o 29.54567 6.940193  263.2893       125.7241 -81.82372      
252.0768 377.5643       145.0533 21.81088 10.31281 37.28045 9.290370 -15.46958 
13.88039 
1 1 1 19  16  35 o 35.33263 7.481558  330.5942       103.8607 543.1398       
222.4978 271.3782       117.4409 39.44606 12.20135 31.21921 8.661524 8.226851 
14.96312 
1 1 1 19  16  36 o 36.51159 8.254461  453.5162       131.2554 582.2557       
278.0184 416.5917       148.8934 35.70834 13.51457 37.31484 9.481615 -1.606506 
16.50892 
1 1 1 19  17  0  o 82.84238 5.664010  1464.694       175.1428 1486.919       
336.4551 1456.433       205.1263 82.87183 9.670330 82.81291 5.899895 
0.5892181E-01  11.32802 
1 1 1 19  17  1  o 46.24171 7.730890  492.3068       147.4905 411.7359       
226.2985 551.8057       194.4676 42.70926 12.08036 49.77417 9.650468 -7.064903 
15.46178 
1 1 1 19  17  2  o 60.49073 5.355179  775.6137       135.4893 871.0862       
200.9578 696.0455       183.4574 63.89034 7.491878 57.09112 7.653989 6.799221 
10.71036 
1 1 1 19  17  3  o 59.08079 6.016427  753.9582       141.9084 549.7172       
192.4507 997.3412       210.0841 49.75380 9.554147 68.40778 7.314907 -18.65398 
12.03285 
1 1 1 19  17  4  o 68.31209 6.431432  1010.035       180.6673 1045.067       
235.6070 960.0372       281.4719 69.93203 8.024779 66.69215 10.05267 3.239876 
12.86286 
1 1 1 19  17  5  o 42.91676 7.688540  384.0246       142.3259 616.0801       
225.1729 229.6317       183.6680 52.49734 10.58765 33.33618 11.15151 19.16116 
15.37708 
1 1 1 19  17  6  o 26.79118 7.291085  59.39326       120.2683 216.6589       
191.9756 -42.20332      154.3010 32.95761 11.39067 20.62475 9.104528 12.33286 
14.58217 
1 1 1 19  17  7  o 58.80392 6.839810  762.0601       163.2015 852.2081       
225.8308 663.5137       236.1160 63.09484 8.525314 54.51299 10.69818 8.581852 
13.67962 
1 1 1 19  17  8  o 91.20102 5.286085  1784.474       199.8915 2115.237       
283.9009 1459.298       281.4930 99.76079 6.778411 82.64124 8.113193 17.11954 
10.57217 
1 1 1 19  17  9  f 170.7231 13.72250  6431.556       983.5684 0.000000       
0.000000 6431.556       983.5684 ?        ?        170.7231 13.72250 ? ? 
1 1 1 19  17  10 o 86.13577 9.937339  1599.349       359.3623 1599.349       
359.3623 0.000000       0.000000 86.13577 9.937339 ?        ?        ? ? 
1 1 1 19  17  11 o 79.07465 6.657802  1196.344       206.4600 953.0054       
244.2910 1804.619       386.2347 66.68776 8.725341 91.46153 10.05852 -24.77377 
13.31560 
1 1 1 19  17  12 o 128.0272 5.342683  3474.411       286.0173 3720.338       
428.5189 3276.830       384.0965 132.0424 7.729968 124.0120 7.377306 8.030434 
10.68537 
1 1 1 19  17  13 o 23.30694 7.045737  -33.26587      130.0818 -182.0560      
193.2954 89.89913       175.8645 19.88107 9.306198 26.73281 10.58132 -6.851746 
14.09147 
1 1 1 19  17  14 o 30.14920 7.982938  148.7410       136.9154 195.2635       
201.1847 108.6064       186.8627 32.27319 11.60979 28.02520 10.96002 4.247986 
15.96588 
1 1 1 19  17  15 o 82.25311 5.271213  1439.080       181.6033 1584.450       
264.5266 1309.485       249.7606 86.19530 7.309823 78.31092 7.596660 7.884377 
10.54243 
1 1 1 19  17  16 o 105.9321 4.939284  2385.133       218.6587 2458.658       
327.2585 2325.839       293.8866 107.3380 7.262037 104.5261 6.696935 2.811928 
9.878569 
1 1 1 19  17  17 o 73.72658 5.803438  1157.940       178.9061 1287.612       
267.4986 1052.993       240.6489 77.42662 8.229099 70.02653 8.185445 7.400093 
11.60688 
1 1 1 19  17  18 o 30.59298 8.171664  146.7051       149.5312 31.65763       
223.1702 240.4338       201.4344 27.08463 11.43325 34.10133 11.67841 -7.016708 
16.34333 
1 1 1 19  17  19 o 38.61270 7.415045  349.3476       134.5167 498.7852       
176.5473 142.5256       207.6967 47.16762 9.244961 30.05779 11.59579 17.10983 
14.83009 
1 1 1 19  17  20 o 38.47802 7.801811  309.0531       135.2102 192.7914       
173.3054 489.8986       216.1462 30.87690 10.80804 46.07915 11.25430 -15.20225 
15.60362 
1 1 1 19  17  21 o 40.61031 7.561051  394.0927       135.4923 499.1219       
177.2096 246.2864       210.2222 46.97703 9.316283 34.24358 11.91154 12.73345 
15.12210 
1 1 1 19  17  22 o 38.67198 7.830812  346.4623       141.3422 476.8832       
193.0323 195.7147       207.5303 45.45832 10.34402 31.88563 11.75958 13.57269 
15.66162 
1 1 1 19  17  23 o 75.45178 4.566937  1233.346       132.7180 1210.676       
239.8345 1243.352       159.3380 74.54712 7.663055 76.35644 4.970438 -1.809319 
9.133875 
1 1 1 19  17  24 o 42.85448 8.324772  443.9417       135.9197 381.6885       
309.3729 458.8318       151.3042 40.70330 14.42124 45.00565 8.320763 -4.302345 
16.64954 
1 1 1 19  17  25 o 71.84923 5.452444  1204.201       136.2018 1009.082       
273.4402 1268.586       157.0742 66.71863 9.761946 76.97982 4.860143 -10.26119 
10.90489 
1 1 1 19  17  26 o 51.15236 7.716296  675.2103       135.5442 522.1094       
294.7390 716.2739       152.6430 45.00706 14.06771 57.29766 6.345429 -12.29061 
15.43259 
1 1 1 19  17  27 f 47.48647 6.641611  539.4897       122.7532 493.7684       
209.2324 563.4865       151.5816 44.61497 11.18212 50.35796 7.169673 -5.742996 
13.28322 
1 1 1 19  17  28 o 24.66105 7.406694  29.96085       120.6587 160.1827       
232.0555 -18.29014      141.2547 29.71213 12.00623 19.60998 8.676798 10.10215 
14.81339 
1 1 1 19  17  29 o 34.72171 7.723580  320.1276       126.7324 200.2450       
242.2615 365.2946       148.7020 30.85351 12.34992 38.58990 9.278693 -7.736391 
15.44716 
1 1 1 19  17  30 o 24.51548 6.773707  116.4791       103.0361 -8.616957      
195.4404 164.6317       121.2558 22.54305 10.07143 26.48792 9.060834 -3.944868 
13.54741 
1 1 1 19  17  31 o 47.68511 7.190351  670.9719       129.8773 396.9845       
250.2168 772.0128       151.9497 36.90499 12.98009 58.46523 6.190465 -21.56023 
14.38070 
1 1 1 19  17  32 o 25.38261 7.280860  133.2930       118.6750 8.513864       
242.8214 172.4512       136.0276 24.21131 10.99538 26.55390 9.547006 -2.342592 
14.56172 
1 1 1 19  17  33 o 28.60446 7.356224  172.8423       104.4532 358.5212       
204.3708 107.1896       121.5245 34.63492 11.76322 22.57399 8.836443 12.06093 
14.71245 
1 1 1 19  17  34 o 29.18998 7.600024  251.0748       122.9181 148.1420       
257.1373 281.5625       139.9426 26.60310 11.74715 31.77686 9.646033 -5.173761 
15.20005 
1 1 1 19  17  35 o 48.14157 7.653715  734.0402       135.8234 663.4354       
280.9743 755.5699       155.1560 40.61866 13.79273 55.66449 6.639132 -15.04584 
15.30743 
1 1 1 19  17  36 o 26.95012 7.678087  238.0026       125.6909 259.2201       
260.6584 231.5744       143.4733 26.76782 11.82264 27.13242 9.799862 
-0.3646030     15.35617 
1 1 1 19  18  0  o 63.99849 5.451268  881.6111       145.4524 861.6548       
217.4210 897.7782       195.6921 63.24890 8.187843 64.74807 7.198924 -1.499168 
10.90254 
1 1 1 19  18  1  o 40.79490 7.360008  347.7039       130.5666 567.7249       
206.1154 200.2420       168.7402 50.27439 10.12077 31.31540 10.68873 18.95899 
14.72002 
1 1 1 19  18  2  o 26.23949 7.630476  50.85880       137.2897 -19.96634      
203.5881 109.9280       185.9256 24.51565 10.64716 27.96333 10.93318 -3.447683 
15.26095 
1 1 1 19  18  3  o 34.03308 7.766618  215.7778       138.5817 50.52195       
191.3341 398.1352       200.9905 26.07080 10.77003 41.99537 11.19321 -15.92457 
15.53324 
1 1 1 19  18  4  o 74.68348 5.940621  1211.457       183.3513 1320.428       
246.3721 1076.185       274.4981 78.66123 7.460224 70.70573 9.247107 7.955505 
11.88124 
1 1 1 19  18  5  f 154.6453 5.543596  5112.582       358.8585 5070.777       
526.8265 5148.771       490.1602 153.9454 8.151207 155.3452 7.515560 -1.399750 
11.08719 
1 1 1 19  18  6  o 31.39842 7.864043  178.5680       134.1754 270.9216       
189.3527 85.42986       190.1552 35.48848 11.30280 27.30836 10.93707 8.180119 
15.72809 
1 1 1 19  18  7  o 33.78571 8.560221  216.7647       154.5384 237.6156       
216.7769 195.2172       220.3679 34.60975 12.09036 32.96167 12.12158 1.648075 
17.12044 
1 1 1 19  18  8  o 54.20662 7.905424  653.6686       172.1638 703.9401       
266.5368 617.6780       225.5230 55.86047 11.73747 52.55277 10.59314 3.307697 
15.81085 
1 1 1 19  18  9  o 58.66403 8.126207  739.2843       194.8824 463.1685       
256.0445 1119.516       300.4650 45.28896 12.86260 72.03909 9.934515 -26.75013 
16.25241 
1 1 1 19  18  10 o 91.25066 6.504340  1790.078       248.8958 1775.549       
359.8282 1803.407       344.6460 90.84038 9.434900 91.66095 8.955914 
-0.8205719     13.00868 
1 1 1 19  18  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  18  12 o 115.0317 6.398713  2837.811       307.9285 2783.445       
416.6237 2903.267       457.1450 113.9165 8.711205 116.1469 9.374915 -2.230385 
12.79743 
1 1 1 19  18  13 o 41.32220 8.238558  383.7645       149.0989 401.0678       
205.7289 364.6212       216.3904 42.18882 11.36058 40.45560 11.93451 1.733219 
16.47712 
1 1 1 19  18  14 o 229.1555 7.678696  11459.94       723.3148 11646.92       
938.0367 11185.71       1136.000 232.3212 9.617273 225.9899 11.97320 6.331375 
15.35739 
1 1 1 19  18  15 o 67.37196 5.720407  983.3564       158.7901 908.2344       
243.6923 1038.787       209.3305 64.96030 8.935419 69.78362 7.144964 -4.823326 
11.44081 
1 1 1 19  18  16 o 31.47154 8.412933  166.3915       152.0603 151.9165       
226.6680 178.2365       205.0456 31.36837 12.11123 31.57471 11.68024 
-0.2063370     16.82587 
1 1 1 19  18  17 o 85.65956 5.381405  1605.621       188.8361 1383.354       
287.4631 1774.342       250.4547 80.10141 8.547971 91.21771 6.539898 -11.11630 
10.76281 
1 1 1 19  18  18 o 53.95107 6.384817  648.1978       136.6972 675.8444       
175.8357 605.9639       217.3283 56.11052 7.464211 51.79162 10.36094 4.318905 
12.76963 
1 1 1 19  18  19 o 40.15196 7.381895  333.8280       130.0449 184.9881       
166.4134 567.2907       208.4191 30.31837 10.59301 49.98555 10.28385 -19.66718 
14.76379 
1 1 1 19  18  20 o 72.61901 4.997470  1122.018       150.6233 1056.544       
196.4249 1215.468       234.6678 70.17289 6.667272 75.06513 7.446228 -4.892242 
9.994940 
1 1 1 19  18  21 o 31.04571 7.871135  183.3675       136.5397 275.6546       
183.3270 68.40378       204.6146 35.07980 11.11632 27.01162 11.14659 8.068176 
15.74227 
1 1 1 19  18  22 o 53.85210 6.177796  671.8915       122.1481 582.3160       
219.7947 711.9183       146.9260 50.10416 10.75855 57.60005 6.075706 -7.495892 
12.35559 
1 1 1 19  18  23 o 57.16417 6.195296  804.6204       122.0895 578.4474       
227.4398 896.1747       144.7056 49.60043 11.18802 64.72791 5.324940 -15.12748 
12.39059 
1 1 1 19  18  24 o 28.17608 8.173212  104.0616       129.3026 77.68436       
300.0850 110.0754       143.2864 30.99412 13.17840 25.35805 9.671363 5.636063 
16.34642 
1 1 1 19  18  25 o 32.85344 8.391811  184.1483       129.1345 369.0432       
273.1950 130.9519       146.5384 39.33187 13.58875 26.37501 9.850684 12.95687 
16.78362 
1 1 1 19  18  26 o 51.16418 6.889556  584.1048       131.4185 678.6758       
249.7820 547.9055       154.5368 52.59210 11.62290 49.73626 7.400821 2.855839 
13.77911 
1 1 1 19  18  27 o 41.24336 6.819762  405.4913       108.9132 412.8346       
198.4525 402.3262       130.2875 40.68472 11.24893 41.80200 7.713501 -1.117279 
13.63952 
1 1 1 19  18  28 o 48.03402 7.212315  580.8910       131.7654 506.4762       
241.9077 612.2827       157.1188 43.83186 12.51966 52.23619 7.164364 -8.404327 
14.42463 
1 1 1 19  18  29 o 49.96441 7.195632  616.8817       133.2675 612.1845       
253.0108 618.6853       156.7789 47.66172 12.49250 52.26710 7.144640 -4.605377 
14.39126 
1 1 1 19  18  30 o 38.49439 6.971473  331.7856       102.1758 496.0523       
203.8422 276.6640       118.0810 43.32022 11.14568 33.66856 8.377327 9.651657 
13.94295 
1 1 1 19  18  31 o 24.53164 7.405377  47.71661       116.4640 206.7739       
239.8758 -1.342045      133.2194 29.91546 12.16009 19.14782 8.455219 10.76764 
14.81075 
1 1 1 19  18  32 o 38.27692 7.562404  418.8926       118.7680 345.6496       
256.0002 438.9810       134.0696 34.09770 12.94977 42.45615 7.814306 -8.358448 
15.12481 
1 1 1 19  18  33 o 36.21254 7.236150  413.6112       126.9793 170.5213       
251.1490 497.0905       147.1761 27.82386 11.94995 44.60122 8.163713 -16.77736 
14.47230 
1 1 1 19  18  34 o 27.18575 6.723268  211.7221       114.2865 -154.4436      
259.2966 300.0062       127.3207 20.94240 10.07243 33.42910 8.908166 -12.48670 
13.44654 
1 1 1 19  18  35 o 21.37085 6.532009  79.90252       93.30671 88.43623       
205.7344 77.69269       104.6930 23.01140 10.30556 19.73029 8.028940 3.281109 
13.06402 
1 1 1 19  18  36 o 25.84831 6.739278  219.8656       109.3604 -72.98120      
280.7069 272.2674       118.7424 21.11623 10.22370 30.58039 8.783359 -9.464151 
13.47856 
1 1 1 19  19  0  o 32.41961 7.658924  210.3947       122.1679 296.0824       
191.8059 151.9032       158.4708 36.41807 11.34149 28.42115 10.29597 7.996920 
15.31785 
1 1 1 19  19  1  o 53.93214 6.550883  603.6443       141.2248 840.7836       
234.5702 468.8160       176.8732 62.25596 8.974556 45.60831 9.545344 16.64764 
13.10177 
1 1 1 19  19  2  o 109.3838 5.354735  2554.071       245.1886 2735.100       
364.1765 2403.975       331.6057 112.8764 7.684751 105.8912 7.459044 6.985207 
10.70947 
1 1 1 19  19  3  o 55.88600 6.769421  691.7155       153.9977 611.1246       
221.5371 767.0696       214.2184 52.09560 10.49736 59.67640 8.550179 -7.580795 
13.53884 
1 1 1 19  19  4  o 125.6314 5.801591  3379.145       296.5249 3352.484       
375.1810 3423.515       484.0009 125.3116 7.131331 125.9512 9.153029 
-0.6396255     11.60318 
1 1 1 19  19  5  o 62.14755 5.799086  810.3500       149.4509 947.0389       
234.8903 717.3773       193.7208 66.42014 8.423380 57.87497 7.972721 8.545170 
11.59817 
1 1 1 19  19  6  o 103.2939 4.743559  2204.771       201.1425 2585.513       
328.8620 1977.208       254.2430 110.1226 7.113091 96.46513 6.277688 13.65745 
9.487119 
1 1 1 19  19  7  o 58.95821 7.376691  776.6000       176.1304 660.7637       
257.7828 878.0240       241.2138 54.01947 11.69663 63.89696 8.991724 -9.877491 
14.75338 
1 1 1 19  19  8  o 46.25960 9.106373  477.6840       179.0993 521.6002       
293.2231 451.5504       226.1960 47.86969 13.81985 44.64951 11.86237 3.220184 
18.21275 
1 1 1 19  19  9  o 54.12825 8.767176  684.9915       194.2754 550.1994       
301.1763 781.0457       254.2419 49.07441 13.95424 59.18210 10.61757 -10.10769 
17.53435 
1 1 1 19  19  10 o 75.35332 7.541983  1222.386       237.3265 1412.702       
352.2281 1064.145       321.1774 80.74472 10.39037 69.96191 10.93464 10.78281 
15.08397 
1 1 1 19  19  11 o 87.73843 7.664467  1614.340       276.3869 2166.631       
435.5988 1242.158       357.5862 99.98581 10.37694 75.49107 11.28252 24.49474 
15.32893 
1 1 1 19  19  12 o 33.30486 9.467308  108.8230       203.6903 238.6891       
312.8741 13.28987       268.3482 37.56752 14.30194 29.04221 12.40863 8.525312 
18.93462 
1 1 1 19  19  13 o 54.47513 11.89949  674.0006       264.6379 674.0006       
264.6379 0.000000       0.000000 54.47513 11.89949 ?        ?        ? ? 
1 1 1 19  19  14 o 79.94012 6.467597  1370.362       216.4293 1258.263       
293.4787 1504.014       320.4514 76.37564 9.152563 83.50460 9.140559 -7.128960 
12.93519 
1 1 1 19  19  15 o 136.0419 5.753314  3971.136       328.4478 3823.481       
456.9753 4128.927       472.3992 133.4201 8.158166 138.6637 8.114604 -5.243637 
11.50663 
1 1 1 19  19  16 o 89.73242 5.253922  1713.605       197.2029 1536.549       
267.4307 1924.623       291.9541 84.66303 7.523821 94.80182 7.335319 -10.13879 
10.50784 
1 1 1 19  19  17 o 41.61688 7.393760  394.3028       127.5297 400.1375       
165.2945 385.7216       200.4577 42.09755 9.567039 41.13622 11.27575 0.9613342 
14.78752 
1 1 1 19  19  18 o 78.74857 4.776901  1313.111       156.4777 1225.478       
205.2933 1434.613       241.7301 75.71478 6.458257 81.78237 7.040315 -6.067596 
9.553802 
1 1 1 19  19  19 o 74.86163 4.827561  1205.341       148.5509 1215.417       
192.0921 1190.349       234.3068 75.42503 6.066179 74.29823 7.511515 1.126801 
9.655122 
1 1 1 19  19  20 o 34.00106 7.722742  255.1215       124.5453 263.9559       
183.3091 247.5466       169.7398 34.53351 11.13335 33.46861 10.70568 1.064903 
15.44548 
1 1 1 19  19  21 o 73.87950 4.641985  1227.455       121.3680 1071.075       
242.0808 1279.958       140.2705 70.08382 8.227421 77.67518 4.301353 -7.591362 
9.283970 
1 1 1 19  19  22 o 48.97098 6.712065  679.1798       118.3498 272.6421       
225.3501 834.0158       139.0732 35.46011 12.33288 62.48184 5.301645 -27.02173 
13.42413 
1 1 1 19  19  23 o 113.4515 3.930215  2782.151       180.9239 2671.595       
293.0257 2850.264       230.0008 111.2865 6.271687 115.6166 4.738385 -4.330078 
7.860429 
1 1 1 19  19  24 o 29.43993 8.026082  56.55936       123.0253 360.3874       
270.3812 -22.76522      138.1550 39.23316 13.52206 19.64671 8.650189 19.58645 
16.05216 
1 1 1 19  19  25 o 31.78587 7.954631  220.2393       126.8996 199.1021       
232.2831 229.2318       151.5075 31.97767 12.27953 31.59407 10.11522 0.3835983 
15.90926 
1 1 1 19  19  26 o 88.73608 4.146271  1716.009       142.5816 1702.477       
255.2964 1722.144       171.8870 87.87393 6.919995 89.59823 4.569457 -1.724297 
8.292542 
1 1 1 19  19  27 o 27.45660 7.479472  147.3449       120.7398 33.82099       
229.5065 190.7877       141.9745 25.99774 11.29793 28.91546 9.804424 -2.917719 
14.95894 
1 1 1 19  19  28 o 53.43887 6.725790  657.3696       134.9483 748.2710       
249.8390 619.9241       160.3522 54.42550 11.31026 52.45224 7.281687 1.973251 
13.45158 
1 1 1 19  19  29 o 35.50403 7.583207  338.2769       121.2760 228.8934       
239.4123 376.0329       140.6577 31.61846 12.39747 39.38960 8.736289 -7.771132 
15.16641 
1 1 1 19  19  30 o 21.59793 6.642322  -55.14736      109.8423 168.8109       
194.9642 -159.2930      132.9511 28.12256 11.13804 15.07331 7.240563 13.04926 
13.28464 
1 1 1 19  19  31 o 40.26575 7.765078  421.3058       122.0097 476.0917       
249.4422 404.0763       139.8855 40.07804 12.99394 40.45346 8.505482 
-0.3754196     15.53016 
1 1 1 19  19  32 o 29.80367 7.589838  240.7378       120.4135 129.9825       
251.4851 273.6822       137.1579 27.30347 11.84535 32.30386 9.492644 -5.000389 
15.17968 
1 1 1 19  19  33 o 32.72479 7.777651  290.7979       112.1398 330.2951       
254.1766 281.2518       124.9587 32.66936 12.78127 32.78022 8.866038 
-0.1108589     15.55530 
1 1 1 19  19  34 o 32.32264 7.040565  332.5268       112.8722 126.4775       
256.8150 381.8578       125.6595 25.98810 11.57953 38.65719 8.012037 -12.66909 
14.08113 
1 1 1 19  19  35 o 23.89914 7.389073  39.89191       108.7361 385.8935       
260.6992 -32.97812      119.6397 31.48549 12.72450 16.31279 7.515366 15.17271 
14.77815 
1 1 1 19  19  36 o 21.60408 6.810418  85.42794       125.0641 -102.2072      
270.6985 136.3471       141.0163 20.50695 9.959843 22.70121 9.291325 -2.194262 
13.62084 
1 1 1 19  20  0  o 64.13357 5.292605  889.7702       142.3219 862.0782       
204.3152 915.8724       198.3639 63.10682 7.711618 65.16032 7.251043 -2.053509 
10.58521 
1 1 1 19  20  1  o 24.34182 7.150341  44.63236       119.4312 6.661974       
189.9642 69.45081       153.5807 24.27896 10.40899 24.40467 9.806244 
-0.1257153     14.30068 
1 1 1 19  20  2  o 74.47256 5.624815  1188.031       173.6464 1141.537       
226.3918 1254.474       270.6349 72.85417 7.401628 76.09096 8.471723 -3.236786 
11.24963 
1 1 1 19  20  3  o 49.52419 6.993836  548.3094       142.3082 748.0270       
206.6429 368.1462       196.2662 58.84326 8.364594 40.20512 11.21109 18.63814 
13.98767 
1 1 1 19  20  4  o 118.1722 6.162027  2937.033       281.2983 2815.774       
334.5158 3229.816       519.7943 114.7418 6.944104 121.6027 10.18144 -6.860970 
12.32405 
1 1 1 19  20  5  o 46.94160 7.957770  499.0625       147.5705 502.4386       
259.8510 497.4554       179.2874 46.72892 12.85088 47.15430 9.389317 
-0.4253807     15.91554 
1 1 1 19  20  6  o 95.34546 5.301237  1877.755       201.0937 2161.463       
354.8326 1743.520       244.0740 100.2157 8.433521 90.47525 6.425587 9.740425 
10.60247 
1 1 1 19  20  7  o 118.4093 6.053990  2977.779       297.7238 3282.156       
463.5304 2764.028       388.4419 123.3576 8.950217 113.4610 8.154557 9.896523 
12.10798 
1 1 1 19  20  8  o 160.7907 8.253392  5651.347       555.8613 5322.091       
755.4249 6040.113       820.8584 155.7778 11.55066 165.8037 11.79221 -10.02583 
16.50678 
1 1 1 19  20  9  o 66.82104 7.330053  968.7847       205.1444 997.4281       
302.3723 944.3558       279.2421 67.67227 10.64271 65.96983 10.08223 1.702446 
14.66011 
1 1 1 19  20  10 o 69.07928 7.117455  1035.489       206.3305 998.6166       
291.1124 1072.710       292.4832 67.80734 10.22598 70.35122 9.902625 -2.543877 
14.23491 
1 1 1 19  20  11 f 61.65245 8.348471  858.6974       208.0558 901.6956       
298.4727 818.0572       290.1734 63.22010 11.68486 60.08480 11.92694 3.135303 
16.69694 
1 1 1 19  20  12 o 29.02182 8.602385  39.54804       178.6027 -35.40302      
253.8725 112.9948       251.3119 26.96114 11.79901 31.08249 12.52148 -4.121353 
17.20477 
1 1 1 19  20  13 o 48.33428 8.067280  468.0677       178.7413 899.8109       
281.1958 175.3524       231.5362 64.24891 10.42472 32.41965 12.31460 31.82926 
16.13456 
1 1 1 19  20  14 o 45.03301 12.54639  464.5682       245.9086 0.000000       
0.000000 464.5682       245.9086 ?        ?        45.03301 12.54639 ? ? 
1 1 1 19  20  15 o 88.92717 8.422753  1705.813       314.4615 1705.813       
314.4615 0.000000       0.000000 88.92717 8.422753 ?        ?        ? ? 
1 1 1 19  20  16 o 95.68997 4.791966  1904.119       180.7768 1806.441       
218.2076 2117.864       322.7902 92.16114 5.639531 99.21881 7.749030 -7.057671 
9.583933 
1 1 1 19  20  17 o 72.05078 4.867934  1079.078       142.8120 984.1110       
178.1818 1249.675       238.8160 67.88244 6.252114 76.21912 7.463122 -8.336678 
9.735868 
1 1 1 19  20  18 o 79.08426 4.796360  1324.994       157.0387 1246.103       
203.3472 1441.571       247.1898 76.31098 6.347054 81.85754 7.192716 -5.546555 
9.592719 
1 1 1 19  20  19 o 74.67976 5.200770  1203.683       163.0507 1186.383       
230.1879 1221.103       230.9913 74.12973 7.396241 75.22980 7.313526 -1.100075 
10.40154 
1 1 1 19  20  20 o 43.65297 6.518933  534.4158       118.6127 125.3618       
213.0948 718.0434       142.7747 29.37714 11.64142 57.92879 5.870540 -28.55165 
13.03787 
1 1 1 19  20  21 o 62.72068 5.708020  950.5060       128.7415 653.7473       
218.9520 1107.321       159.1624 53.41816 10.13014 72.02319 5.263677 -18.60503 
11.41604 
1 1 1 19  20  22 o 108.3882 4.500510  2616.847       188.1823 2304.101       
328.7088 2769.321       229.5152 102.7918 7.616823 113.9847 4.796077 -11.19283 
9.001019 
1 1 1 19  20  23 o 32.15190 7.001358  252.4590       114.0673 13.46124       
221.1026 339.1399       133.1554 25.81284 11.15137 38.49096 8.468946 -12.67813 
14.00272 
1 1 1 19  20  24 o 44.17034 6.846605  455.2887       119.8412 456.7615       
198.9896 454.4504       150.1189 43.70812 10.87484 44.63256 8.321164 
-0.9244461     13.69321 
1 1 1 19  20  25 o 28.85807 7.790018  156.8249       124.1302 149.8802       
227.2806 159.7770       148.1824 29.96842 11.97600 27.74771 9.965590 2.220707 
15.58004 
1 1 1 19  20  26 o 39.52897 7.829466  313.7941       124.6138 591.4678       
246.7047 218.6816       144.3872 48.40875 12.14782 30.64920 9.880920 17.75955 
15.65893 
1 1 1 19  20  27 o 68.09499 6.240231  1163.976       148.9892 858.5108       
266.5305 1302.808       179.6845 58.88573 11.18526 77.30424 5.536411 -18.41852 
12.48046 
1 1 1 19  20  28 o 23.17111 6.941531  51.99115       115.9282 -131.9290      
233.9471 111.8520       133.4671 22.06845 10.29701 24.27378 9.311878 -2.205328 
13.88306 
1 1 1 19  20  29 o 25.49181 7.493091  74.12423       114.9849 194.8835       
235.7282 36.42028       131.7179 30.28252 12.15691 20.70109 8.763291 9.581434 
14.98618 
1 1 1 19  20  30 o 38.91226 6.990635  363.2190       102.0368 439.6340       
209.2072 339.3675       116.8813 40.11435 11.70326 37.71017 7.649152 2.404179 
13.98127 
1 1 1 19  20  31 o 31.86390 7.417503  237.7216       103.1722 355.0546       
206.3776 198.6274       119.1266 35.53170 11.82084 28.19609 8.963552 7.335606 
14.83501 
1 1 1 19  20  32 o 41.94500 7.561842  474.4285       118.2916 484.6143       
265.4484 471.9046       132.1373 38.98204 13.40176 44.90796 7.008470 -5.925922 
15.12368 
1 1 1 19  20  33 o 25.42803 6.788154  162.5531       106.2666 -109.8494      
253.0075 220.9013       117.0959 21.79446 10.31767 29.06160 8.823929 -7.267136 
13.57631 
1 1 1 19  20  34 f 20.90392 6.512192  53.78790       101.5500 -162.2102      
258.3221 93.26928       110.4416 20.67850 9.971847 21.12934 8.378356 
-0.4508476     13.02438 
1 1 1 19  20  35 o 20.23640 6.790757  -64.97456      107.3609 206.0590       
265.9336 -117.7504      117.3490 26.44201 11.78250 14.03080 6.755016 12.41121 
13.58151 
1 1 1 19  20  36 o 20.03518 6.728253  -82.58921      119.5400 229.5304       
255.1852 -170.3357      135.3038 26.02933 11.57186 14.04103 6.868009 11.98831 
13.45651 
1 1 1 19  21  0  o 68.63573 5.087482  1026.575       145.4043 1102.205       
198.7032 939.3909       213.3418 71.53503 6.616178 65.73641 7.730207 5.798622 
10.17496 
1 1 1 19  21  1  o 32.61316 7.335763  237.0738       114.0336 191.6830       
175.1030 270.5015       150.2668 30.73241 10.85340 34.49390 9.872048 -3.761488 
14.67153 
1 1 1 19  21  2  o 63.52058 6.452552  911.2461       162.1747 664.9781       
230.2406 1153.739       228.4690 53.95234 10.54065 73.08883 7.445561 -19.13649 
12.90510 
1 1 1 19  21  3  o 100.0881 6.040498  2151.363       233.1442 2245.415       
426.5722 2111.300       278.4061 100.9623 10.06362 99.21384 6.683864 1.748497 
12.08100 
1 1 1 19  21  4  o 103.5287 6.179620  2327.051       268.1638 2298.438       
368.0234 2359.439       391.5507 102.9394 8.515596 104.1180 8.957424 -1.178673 
12.35924 
1 1 1 19  21  5  o 35.37580 8.535666  217.8244       144.2511 409.7466       
264.5314 136.6017       172.0890 42.45411 13.33884 28.29749 10.65390 14.15662 
17.07133 
1 1 1 19  21  6  o 85.58011 5.609244  1614.164       186.3005 1475.463       
325.6640 1681.635       227.1377 82.33681 9.420996 88.82340 6.090920 -6.486595 
11.21849 
1 1 1 19  21  7  o 112.2119 6.232494  2583.520       277.0589 3160.277       
498.0705 2325.087       333.4021 120.3845 9.854651 104.0393 7.632939 16.34518 
12.46499 
1 1 1 19  21  8  o 176.0995 8.467781  6897.529       623.2537 6501.956       
906.2114 7252.584       858.5465 170.7592 12.64057 181.4399 11.27073 -10.68074 
16.93556 
1 1 1 19  21  9  o 34.58736 8.962644  218.7392       174.4691 120.1786       
255.4982 304.8513       238.8187 31.39248 12.63404 37.78225 12.71601 -6.389771 
17.92529 
1 1 1 19  21  10 o 130.3843 6.840966  3664.468       358.0146 3588.120       
443.7320 3806.864       605.9939 129.0953 8.187127 131.6734 10.96203 -2.578171 
13.68193 
1 1 1 19  21  11 o 52.48022 8.204779  612.9606       191.0203 1023.166       
280.1525 256.5534       261.1360 68.57662 9.730595 36.38381 13.21322 32.19281 
16.40956 
1 1 1 19  21  12 o 88.85022 5.897060  1722.244       212.3974 1787.004       
270.7744 1618.666       342.4402 91.38062 7.057885 86.31982 9.449207 5.060799 
11.79412 
1 1 1 19  21  13 o 72.20416 7.103702  1143.416       212.5347 1171.253       
281.2930 1106.384       324.4429 73.48026 9.118205 70.92806 10.89535 2.552193 
14.20740 
1 1 1 19  21  14 o 78.85072 5.964411  1342.186       196.6272 1361.973       
292.4958 1325.871       265.5924 79.28345 8.787355 78.41800 8.067166 0.8654556 
11.92882 
1 1 1 19  21  15 o 110.3194 5.524305  2623.841       253.7621 2614.615       
383.5670 2631.022       338.4081 109.9593 8.308645 110.6796 7.282732 
-0.7202225     11.04861 
1 1 1 19  21  16 o 47.47527 11.89154  522.7650       236.7351 0.000000       
0.000000 522.7650       236.7351 ?        ?        47.47527 11.89154 ? ? 
1 1 1 19  21  17 o 52.91944 7.999538  659.7672       175.9194 443.7660       
259.3456 843.8560       239.4222 43.70968 13.10414 62.12920 9.178880 -18.41952 
15.99908 
1 1 1 19  21  18 o 16.81216 5.712959  -166.1293      100.5844 -232.2576      
197.9814 -143.1221      116.7783 19.02075 9.062345 14.60356 6.958845 4.417191 
11.42592 
1 1 1 19  21  19 o 50.01821 6.094986  534.9865       113.0415 605.6531       
214.5716 507.8387       132.9940 51.42504 10.30196 48.61138 6.516514 2.813663 
12.18997 
1 1 1 19  21  20 o 129.9797 4.532652  3597.604       227.7288 3729.216       
414.8110 3540.823       272.4595 131.0633 7.538593 128.8961 5.034812 2.167221 
9.065304 
1 1 1 19  21  21 f 37.95628 7.312106  321.8890       110.4323 357.2937       
212.1869 308.7365       129.3281 39.11274 11.87868 36.79980 8.530208 2.312939 
14.62421 
1 1 1 19  21  22 o 40.97632 6.878801  425.5366       114.3340 253.7556       
213.2385 494.8476       135.4500 34.17610 11.98628 47.77654 6.752825 -13.60044 
13.75760 
1 1 1 19  21  23 o 29.56200 7.495114  174.2989       109.6863 193.7866       
207.2504 166.7166       129.2756 31.33155 11.71231 27.79246 9.355677 3.539085 
14.99023 
1 1 1 19  21  24 o 48.48965 7.025750  617.1397       129.4862 370.6656       
231.2001 729.7837       156.2991 39.08934 12.49351 57.88997 6.430935 -18.80064 
14.05150 
1 1 1 19  21  25 o 37.70601 7.671197  352.8462       124.0291 291.3835       
230.3454 377.9417       147.1878 35.29190 12.44982 40.12011 8.966106 -4.828209 
15.34239 
1 1 1 19  21  26 o 23.89087 7.223022  49.55456       113.9521 5.299331       
238.2592 62.67989       129.7545 25.71492 11.33743 22.06680 8.952696 3.648119 
14.44604 
1 1 1 19  21  27 o 68.85956 5.306335  1104.697       131.4167 990.0331       
255.2317 1146.062       153.2994 65.02978 9.348531 72.68935 5.023320 -7.659569 
10.61267 
1 1 1 19  21  28 o 30.87321 7.499968  206.5687       111.5473 319.9896       
198.9801 154.5886       134.7043 35.29851 11.60705 26.44790 9.501291 8.850613 
14.99994 
1 1 1 19  21  29 o 37.59258 6.729441  370.4426       104.3629 276.8589       
198.0748 406.4061       122.7892 32.85969 11.54959 42.32547 6.910022 -9.465786 
13.45888 
1 1 1 19  21  30 o 21.66507 6.621983  34.11059       92.91572 82.44086       
200.2682 20.85359       104.8878 25.12945 10.72771 18.20070 7.766525 6.928753 
13.24397 
1 1 1 19  21  31 o 15.55620 5.387091  -175.4984      96.71347 -225.6343      
199.5834 -160.1130      110.5614 17.95334 8.679895 13.15905 6.382977 4.794284 
10.77418 
1 1 1 19  21  32 o 46.09593 6.433265  653.4346       102.3309 340.8107       
211.6914 748.7614       116.8960 34.04201 11.94239 58.14985 4.788198 -24.10783 
12.86653 
1 1 1 19  21  33 o 27.24966 6.928014  189.1827       89.70833 167.5771       
215.1402 193.7299       98.69800 26.91901 11.28779 27.58031 8.035880 
-0.6613007     13.85603 
1 1 1 19  21  34 o 22.89629 6.510808  119.8701       92.56583 -2.511351      
212.0108 148.6940       102.8908 21.70843 10.00239 24.08415 8.337543 -2.375721 
13.02162 
1 1 1 19  21  35 o 19.05866 6.246481  -25.89735      88.37650 143.2603       
209.2301 -62.63089      97.50117 24.24227 10.65952 13.87505 6.515267 10.36722 
12.49296 
1 1 1 19  21  36 o 23.53154 7.331271  127.8277       121.6293 220.3261       
262.9062 102.6391       137.1940 25.79863 11.59885 21.26444 8.969777 4.534184 
14.66254 
1 1 1 19  22  0  o 68.31509 4.559377  1001.702       130.3094 896.9189       
177.3512 1124.640       192.1022 64.42284 6.557153 72.20734 6.336831 -7.784508 
9.118754 
1 1 1 19  22  1  o 56.01089 6.209734  688.8651       134.3873 732.6827       
233.7018 667.2180       164.2621 56.51045 10.22577 55.51133 7.048177 0.9991188 
12.41947 
1 1 1 19  22  2  o 75.40771 5.674839  1228.012       176.2916 1297.317       
280.4808 1182.752       226.6592 76.91277 8.686119 73.90266 7.305239 3.010109 
11.34968 
1 1 1 19  22  3  o 78.57823 5.571674  1357.178       180.4408 1239.454       
275.2192 1445.932       238.9672 75.26068 8.710272 81.89579 6.950207 -6.635109 
11.14335 
1 1 1 19  22  4  o 78.53202 6.841156  1367.518       223.9284 1247.793       
326.1063 1474.338       308.0313 74.98621 10.35855 82.07783 8.939024 -7.091614 
13.68231 
1 1 1 19  22  5  o 89.62990 5.849846  1731.996       212.4891 1794.801       
351.7312 1695.901       266.6478 90.52196 9.255033 88.73785 7.157315 1.784111 
11.69969 
1 1 1 19  22  6  o 109.7407 5.839886  2607.957       257.3264 2624.356       
431.8875 2598.931       320.4087 109.4904 9.395403 109.9909 6.938549 
-0.5004425     11.67977 
1 1 1 19  22  7  o 38.46199 9.172996  312.8089       172.3631 380.5897       
276.8449 269.9040       220.2607 41.26679 13.69100 35.65719 12.21196 5.609596 
18.34599 
1 1 1 19  22  8  o 43.42036 9.255043  435.9156       182.7266 464.3888       
246.7502 401.3407       271.9064 44.73806 12.60165 42.10267 13.55808 2.635387 
18.51009 
1 1 1 19  22  9  o 99.90199 5.970816  2092.982       237.5254 1954.807       
288.9492 2380.925       417.1200 95.39657 7.214559 104.4074 9.515919 -9.010849 
11.94163 
1 1 1 19  22  10 o 115.9876 6.235483  2923.823       302.1056 2947.947       
408.5154 2894.707       448.8047 116.7214 8.336410 115.2538 9.275195 1.467552 
12.47097 
1 1 1 19  22  11 o 87.62299 6.860966  1657.284       242.0351 2377.021       
365.7072 1096.314       322.8616 104.8180 8.310339 70.42799 10.91923 34.39000 
13.72193 
1 1 1 19  22  12 o 33.41573 8.630084  185.7909       171.3026 -10.06725      
253.9538 349.3102       232.0429 27.39517 11.89450 39.43630 12.50736 -12.04114 
17.26017 
1 1 1 19  22  13 o 59.53814 6.933686  783.6004       169.0338 701.2755       
231.7676 877.1512       247.0649 55.67831 10.30255 63.39797 9.282326 -7.719658 
13.86737 
1 1 1 19  22  14 o 127.2733 7.042662  3557.138       375.1830 3519.792       
510.2338 3601.101       553.5924 126.7562 9.587843 127.7904 10.31841 -1.034195 
14.08532 
1 1 1 19  22  15 o 44.78052 9.041884  449.6003       187.4895 669.9381       
275.8066 260.3050       255.6408 53.50801 12.49228 36.05303 13.07538 17.45498 
18.08377 
1 1 1 19  22  16 o 30.56290 8.548120  42.86735       171.7682 317.8159       
277.7099 -127.4901      218.5980 38.65325 13.66653 22.47255 10.27168 16.18070 
17.09624 
1 1 1 19  22  17 o 28.68047 8.321375  71.94840       123.9689 189.6049       
305.6264 48.77827       135.6273 34.97110 13.91534 22.38983 9.129324 12.58127 
16.64275 
1 1 1 19  22  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  22  19 o 75.98848 6.486783  1222.139       161.6773 1360.743       
378.4709 1191.199       178.8141 77.38278 11.64955 74.59418 5.709759 2.788605 
12.97357 
1 1 1 19  22  20 o 27.27876 7.366271  132.9955       110.3966 22.96136       
231.8647 165.2521       125.5395 26.78053 11.49125 27.77698 9.219492 
-0.9964504     14.73254 
1 1 1 19  22  21 o 59.59399 5.181134  754.1136       120.6708 828.9897       
218.1601 721.1064       144.8463 61.30128 8.476700 57.88670 5.960045 3.414577 
10.36227 
1 1 1 19  22  22 o 32.92757 7.092927  263.8635       108.0606 127.0365       
208.2427 314.2848       126.4126 28.82229 11.48081 37.03286 8.332428 -8.210562 
14.18585 
1 1 1 19  22  23 o 60.21439 5.052174  761.2148       115.8482 877.4431       
221.3286 717.3557       135.9604 62.75604 8.400459 57.67273 5.615170 5.083317 
10.10435 
1 1 1 19  22  24 o 25.10576 7.367293  71.82209       118.9460 55.06122       
221.4512 78.61826       141.0139 26.64038 11.32386 23.57114 9.427523 3.069233 
14.73459 
1 1 1 19  22  25 o 37.32120 7.042190  366.3949       114.3577 176.5637       
231.4128 427.7316       131.5418 30.71794 12.14449 43.92445 7.133103 -13.20651 
14.08438 
1 1 1 19  22  26 o 28.22609 7.396801  171.7799       113.3188 75.30553       
224.2132 204.8771       131.3260 26.89904 11.41254 29.55313 9.412997 -2.654087 
14.79360 
1 1 1 19  22  27 o 44.26245 7.256246  494.3734       120.8647 442.0309       
241.5527 511.8549       139.5966 40.73602 12.73586 47.78888 6.957752 -7.052868 
14.51249 
1 1 1 19  22  28 o 37.24937 7.784835  309.5737       114.7052 483.2126       
238.9267 257.5663       130.7597 42.12450 12.56736 32.37423 9.191088 9.750271 
15.56967 
1 1 1 19  22  29 o 30.71535 6.575657  260.1041       115.1284 -140.8391      
243.9898 374.9426       130.5792 21.96979 10.31453 39.46092 8.158895 -17.49113 
13.15131 
1 1 1 19  22  30 o 21.14909 6.850233  -38.87328      110.0685 54.00974       
242.4335 -62.99051      123.5345 25.70687 11.37178 16.59130 7.641033 9.115570 
13.70047 
1 1 1 19  22  31 o 31.81398 7.804312  165.4375       105.6197 534.3711       
253.1812 87.70353       116.2152 41.91194 13.02588 21.71601 8.599740 20.19593 
15.60862 
1 1 1 19  22  32 o 21.68283 6.625677  43.19450       89.38490 125.4163       
203.6088 23.56542       99.48395 25.71328 10.89076 17.65238 7.549160 8.060900 
13.25135 
1 1 1 19  22  33 o 31.60867 6.688179  290.7711       94.24451 186.9853       
206.9683 317.9205       105.8560 27.28857 11.22716 35.92876 7.271717 -8.640196 
13.37636 
1 1 1 19  22  34 o 19.90881 6.430861  19.01708       104.2020 -153.9783      
260.7918 51.88232       113.6698 20.62654 9.963620 19.19107 8.133273 1.435467 
12.86172 
1 1 1 19  22  35 o 24.79774 7.304466  165.7607       109.8133 177.2330       
268.3432 163.4530       120.3522 25.42062 11.54836 24.17486 8.947422 1.245754 
14.60893 
1 1 1 19  23  0  f 24.46230 10.78948  -22.89738      216.0791 -22.89738      
216.0791 0.000000       0.000000 24.46230 10.78948 ?        ?        ? ? 
1 1 1 19  23  1  o 57.99026 6.322734  708.2480       145.9549 875.4898       
259.8150 631.1344       176.4238 62.35117 9.925234 53.62936 7.835662 8.721813 
12.64547 
1 1 1 19  23  2  o 51.25197 6.546328  585.0414       130.8862 618.2169       
223.7724 567.7893       161.3689 51.47784 10.70872 51.02610 7.532660 0.4517326 
13.09266 
1 1 1 19  23  3  o 137.4384 6.994380  4226.899       400.8632 4078.982       
595.1916 4349.696       542.3044 134.6945 10.52514 140.1823 9.214485 -5.487793 
13.98876 
1 1 1 19  23  4  o 66.06190 7.215791  1000.228       191.1956 873.9373       
286.8490 1101.191       256.4760 61.27896 11.57212 70.84484 8.623024 -9.565884 
14.43158 
1 1 1 19  23  5  o 50.98598 7.174494  620.0120       143.7829 476.5660       
235.6528 705.0850       181.4781 44.95657 12.18256 57.01538 7.581465 -12.05882 
14.34899 
1 1 1 19  23  6  o 79.04352 5.269658  1345.336       172.6145 1394.191       
268.2844 1310.826       225.4838 80.08833 7.978979 77.99870 6.885716 2.089638 
10.53932 
1 1 1 19  23  7  o 83.96143 5.673962  1530.363       199.4986 1545.353       
293.2672 1517.451       272.1789 84.24823 8.291322 83.67462 7.747860 0.5736084 
11.34792 
1 1 1 19  23  8  o 125.3650 5.884222  3375.441       302.9631 3215.092       
386.3071 3631.645       488.3041 121.9402 7.545829 128.7899 9.030875 -6.849686 
11.76844 
1 1 1 19  23  9  f 63.01520 7.288384  919.6603       181.1297 1049.184       
238.9085 744.5670       277.7744 69.50199 8.187578 56.52841 12.06009 12.97358 
14.57677 
1 1 1 19  23  10 o 103.6816 6.580673  2319.634       281.7980 2161.873       
362.4283 2560.812       448.1172 99.58546 8.668566 107.7778 9.903382 -8.192299 
13.16135 
1 1 1 19  23  11 o 30.02061 8.842410  74.59215       182.8816 49.75943       
240.8091 108.4322       281.1100 28.26866 11.90201 31.77255 13.08033 -3.503887 
17.68482 
1 1 1 19  23  12 o 58.30287 7.184283  758.3750       172.0750 711.4171       
235.1725 812.4845       252.4463 55.90621 10.40788 60.69952 9.906145 -4.793312 
14.36857 
1 1 1 19  23  13 o 69.05137 6.865592  1050.182       198.9724 1084.608       
282.6622 1016.370       280.1339 70.21301 9.588954 67.88973 9.828396 2.323273 
13.73118 
1 1 1 19  23  14 o 22.70756 7.342445  -128.2160      157.8367 -202.0749      
235.4961 -67.97878      212.6741 21.93670 10.26906 23.47842 10.49726 -1.541723 
14.68489 
1 1 1 19  23  15 o 57.38657 7.535748  704.3073       135.2455 816.2925       
330.6883 681.8135       148.2073 58.38686 13.70965 56.38628 6.260620 2.000572 
15.07150 
1 1 1 19  23  16 o 38.46112 9.712638  267.9084       183.3708 472.1841       
346.2806 188.3036       216.1671 45.03401 15.31197 31.88823 11.95345 13.14578 
19.42528 
1 1 1 19  23  17 o 51.59405 7.808046  699.3279       142.8882 431.7124       
298.9116 778.5943       162.6790 43.02327 14.22618 60.16483 6.440356 -17.14156 
15.61609 
1 1 1 19  23  18 o 33.32761 7.749163  264.5289       126.3262 -26.74714      
298.4549 328.1020       139.4321 28.76347 12.68430 37.89175 8.905431 -9.128275 
15.49833 
1 1 1 19  23  19 o 89.26836 5.269753  1824.716       172.2841 1536.389       
322.3888 1939.972       203.8304 83.22376 9.226854 95.31297 5.093754 -12.08920 
10.53951 
1 1 1 19  23  20 o 32.35614 12.28007  197.9835       230.0784 197.9835       
230.0784 0.000000       0.000000 32.35614 12.28007 ?        ?        ? ? 
1 1 1 19  23  21 o 62.26457 5.735073  847.0085       132.0544 873.1476       
257.1375 837.6451       153.8994 62.19220 9.848058 62.33694 5.880476 
-0.1447372     11.47015 
1 1 1 19  23  22 o 45.50688 6.597529  516.2401       110.4293 381.1320       
209.0177 568.5551       130.0634 39.76699 11.72882 51.24677 6.045188 -11.47978 
13.19506 
1 1 1 19  23  23 o 41.68381 6.923685  389.9717       109.6245 465.2909       
208.5428 361.2116       128.8656 43.69441 11.29037 39.67321 8.017307 4.021206 
13.84737 
1 1 1 19  23  24 o 70.93998 5.043525  1094.055       132.8488 1156.372       
258.6106 1071.715       154.8411 71.44821 8.621365 70.43175 5.236474 1.016464 
10.08705 
1 1 1 19  23  25 o 22.82592 6.662924  67.21973       97.89531 -115.6237      
223.6244 110.5668       108.8828 22.16881 10.23662 23.48302 8.531693 -1.314207 
13.32585 
1 1 1 19  23  26 o 41.61206 6.690276  412.5123       108.7690 437.7451       
190.9356 400.3900       132.3420 41.77178 10.80777 41.45234 7.888678 0.3194466 
13.38055 
1 1 1 19  23  27 f 33.19469 7.839555  201.8689       113.3034 466.6211       
241.2887 126.9767       128.3321 41.57059 12.67549 24.81879 9.228573 16.75180 
15.67911 
1 1 1 19  23  28 o 32.07638 7.740902  253.2771       115.2151 246.0139       
238.6030 255.4856       131.5706 32.02674 12.41344 32.12601 9.251633 
-0.9926987E-01 15.48180 
1 1 1 19  23  29 o 37.26677 6.586868  423.3146       112.8099 79.18291       
241.0343 519.8389       127.6541 26.51849 11.55189 48.01504 6.332547 -21.49655 
13.17374 
1 1 1 19  23  30 f 22.06384 6.937287  22.01041       102.1965 69.99823       
239.0831 11.28209       113.0444 25.85752 11.38206 18.27016 7.934268 7.587364 
13.87457 
1 1 1 19  23  31 o 57.15221 6.925892  855.6361       122.8573 798.5528       
278.1752 869.4688       136.9364 51.86870 12.82893 62.43573 5.224042 -10.56702 
13.85178 
1 1 1 19  23  32 o 22.08821 6.605490  79.68915       98.40798 -126.1803      
247.1247 118.4867       107.2808 21.38950 10.15949 22.78691 8.444801 -1.397417 
13.21098 
1 1 1 19  23  33 o 53.63883 6.269574  688.9435       114.1288 851.7844       
245.0797 643.8516       128.9659 54.42031 11.11109 52.85736 5.811532 1.562954 
12.53915 
1 1 1 19  23  34 o 20.06129 6.315340  43.19175       99.84048 -204.3332      
256.6947 87.31155       108.3738 19.64364 9.577933 20.47894 8.233909 
-0.8353043     12.63068 
1 1 1 19  23  35 o 26.64108 7.814691  187.8762       118.1731 391.8346       
270.3268 139.6919       131.3927 30.39412 12.69353 22.88805 9.118756 7.506071 
15.62938 
1 1 1 19  24  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  24  1  o 86.40382 8.299644  1662.525       301.0727 1662.525       
301.0727 0.000000       0.000000 86.40382 8.299644 ?        ?        ? ? 
1 1 1 19  24  2  o 48.55247 6.795023  499.4918       124.4289 684.0381       
232.9127 425.7864       147.1940 53.92266 10.66781 43.18228 8.419457 10.74039 
13.59005 
1 1 1 19  24  3  o 35.25946 8.166249  285.2143       142.2248 207.2786       
214.8441 346.0114       189.7565 32.20618 11.94761 38.31274 11.13576 -6.106556 
16.33250 
1 1 1 19  24  4  o 139.2977 6.452485  4326.723       365.2592 4377.091       
464.5806 4245.194       591.0765 141.3829 7.826820 137.2125 10.26056 4.170410 
12.90497 
1 1 1 19  24  5  o 49.82217 6.703352  566.0374       135.8097 521.4304       
203.8644 601.6286       182.1007 47.29469 10.53993 52.34964 8.285507 -5.054943 
13.40670 
1 1 1 19  24  6  o 65.01714 5.962309  938.0042       159.5585 864.0316       
244.8889 992.5730       210.3324 62.44393 9.341143 67.59035 7.412123 -5.146427 
11.92462 
1 1 1 19  24  7  o 63.34993 5.900759  874.5711       156.5083 793.1924       
213.9115 968.3176       229.5916 60.15371 8.470184 66.54616 8.217773 -6.392448 
11.80152 
1 1 1 19  24  8  o 82.68738 6.377583  1482.993       217.7844 1388.024       
280.2263 1627.843       346.0815 79.65720 8.379247 85.71754 9.616780 -6.060341 
12.75517 
1 1 1 19  24  9  o 74.56236 6.421620  1177.327       197.0874 982.9461       
250.8358 1490.946       318.6133 66.87956 8.933407 82.24515 9.227299 -15.36559 
12.84324 
1 1 1 19  24  10 o 51.84036 8.401397  660.6883       188.2405 882.4919       
249.3215 366.6193       287.0780 63.23957 9.390566 40.44115 13.93381 22.79843 
16.80279 
1 1 1 19  24  11 o 39.01175 8.835612  346.3001       167.4467 430.9370       
231.0315 252.6399       243.0352 42.83206 12.23527 35.19144 12.75031 7.640614 
17.67122 
1 1 1 19  24  12 o 32.53279 8.997443  161.7424       183.3862 51.32741       
267.8190 259.2137       251.6318 29.41149 12.47550 35.65409 12.96834 -6.242598 
17.99489 
1 1 1 19  24  13 o 64.09518 7.249308  890.5133       148.5683 990.7414       
343.4785 867.4459       164.7802 64.61311 13.11865 63.57727 6.173398 1.035839 
14.49862 
1 1 1 19  24  14 o 77.14970 5.745402  1221.104       148.5157 1433.684       
343.3517 1172.177       164.7225 80.19067 10.19850 74.10873 5.294253 6.081932 
11.49080 
1 1 1 19  24  15 o 95.01861 6.457383  2120.433       192.4975 1785.932       
442.0713 2198.698       213.8349 88.47449 11.90133 101.5627 5.014936 -13.08824 
12.91477 
1 1 1 19  24  16 o 120.4588 5.556047  3204.166       236.8770 3085.583       
483.9938 3241.517       271.6332 117.7221 9.792706 123.1954 5.251816 -5.473244 
11.11209 
1 1 1 19  24  17 o 112.0515 6.146402  2802.829       230.7919 2700.083       
506.4542 2829.758       259.2780 109.0892 11.05808 115.0137 5.369540 -5.924553 
12.29280 
1 1 1 19  24  18 o 33.81487 7.521320  267.2074       115.3107 183.6761       
224.7947 297.0355       134.3302 31.68517 12.10521 35.94457 8.929996 -4.259403 
15.04264 
1 1 1 19  24  19 o 121.0696 5.232050  3240.192       241.7695 3101.574       
439.7489 3300.243       289.4393 118.1646 8.864180 123.9746 5.560910 -5.810005 
10.46410 
1 1 1 19  24  20 o 36.91820 7.658489  276.7856       116.5736 452.7454       
224.2417 211.6215       136.4626 43.27224 11.95453 30.56417 9.575960 12.70807 
15.31698 
1 1 1 19  24  21 o 36.56847 8.710942  310.1456       132.0132 0.000000       
0.000000 310.1456       132.0132 ?        ?        36.56847 8.710942 ? ? 
1 1 1 19  24  22 o 32.10454 8.093781  181.2683       140.3504 378.6139       
230.5297 65.03922       176.9174 39.30738 12.46652 24.90170 10.32585 14.40568 
16.18756 
1 1 1 19  24  23 o 21.31831 6.538484  -25.78263      107.5754 84.78825       
174.9305 -93.02889      136.4204 25.38771 10.36259 17.24890 7.976451 8.138811 
13.07697 
1 1 1 19  24  24 o 21.89866 6.834211  -0.8977175     110.0728 -8.919580      
215.7520 1.924959       127.9817 24.28882 10.73827 19.50851 8.456677 4.780304 
13.66842 
1 1 1 19  24  25 o 20.39396 6.563391  -42.37421      109.5370 -84.48879      
220.6057 -28.59386      126.1917 22.55655 10.31368 18.23138 8.120367 4.325161 
13.12678 
1 1 1 19  24  26 o 18.74586 6.207552  -88.05720      109.6034 -243.0437      
228.5376 -41.76185      124.9049 19.86909 9.531807 17.62263 7.954840 2.246454 
12.41510 
1 1 1 19  24  27 o 30.32409 7.768704  184.7244       112.6690 323.5696       
230.8163 141.2926       129.0936 35.15450 12.45634 25.49367 9.287117 9.660835 
15.53741 
1 1 1 19  24  28 f 34.17912 7.396071  289.8432       101.1773 299.1568       
235.6949 287.7393       112.0240 33.75636 12.51569 34.60189 7.884482 
-0.8455353     14.79214 
1 1 1 19  24  29 o 26.30904 6.902142  97.21750       83.78560 310.4048       
196.5486 49.87428       92.62283 33.86842 11.53591 18.74967 7.581626 15.11875 
13.80428 
1 1 1 19  24  30 o 30.84184 7.739392  143.7872       105.5346 508.0313       
249.7003 64.57265       116.4461 41.02628 12.97074 20.65740 8.447050 20.36888 
15.47878 
1 1 1 19  24  31 o 58.49292 6.146011  790.4836       116.3320 958.1956       
264.7999 750.3735       129.4980 59.13480 11.07546 57.85104 5.331787 1.283764 
12.29202 
1 1 1 19  24  32 o 30.03125 7.567006  240.8359       106.0722 243.8823       
255.8274 240.2034       116.5637 29.75428 12.38234 30.30823 8.701500 
-0.5539455     15.13401 
1 1 1 19  24  33 o 45.17439 6.531703  501.8137       97.77130 626.1071       
224.5754 472.7458       108.6039 45.09535 11.74634 45.25341 5.716300 
-0.1580620     13.06341 
1 1 1 19  24  34 o 20.76050 6.603019  44.71271       117.6886 -173.9904      
263.4474 99.23933       131.5439 20.00848 9.746353 21.51252 8.911119 -1.504042 
13.20604 
1 1 1 19  24  35 o 28.08455 7.408882  274.9391       122.8614 154.5782       
269.4756 306.5240       138.0438 24.57990 11.30557 31.58920 9.578632 -7.009304 
14.81776 
1 1 1 19  25  0  o 30.02687 7.129989  178.1177       115.1098 49.56249       
154.6800 337.6766       172.3256 22.92184 9.589239 37.13190 10.55431 -14.21006 
14.25998 
1 1 1 19  25  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  25  2  o 32.26899 7.197181  214.4919       113.0226 372.6266       
179.5867 110.7796       145.4371 39.31344 10.62685 25.22454 9.709151 14.08890 
14.39436 
1 1 1 19  25  3  o 80.56810 5.148821  1413.816       172.8349 1194.333       
233.3173 1680.714       257.2878 73.56470 7.554377 87.57150 6.998059 -14.00680 
10.29764 
1 1 1 19  25  4  o 33.83889 8.240332  242.9167       140.2041 182.7268       
179.8924 336.0495       223.7701 29.98436 10.95921 37.69341 12.30886 -7.709051 
16.48066 
1 1 1 19  25  5  o 24.03419 6.856765  12.17137       111.8394 186.7488       
180.8426 -95.95030      142.3191 30.28480 10.99602 17.78358 8.194421 12.50121 
13.71353 
1 1 1 19  25  6  o 88.75264 5.457419  1700.929       201.4293 2063.819       
304.6715 1419.138       268.4772 97.15654 7.469316 80.34875 7.958833 16.80779 
10.91484 
1 1 1 19  25  7  o 47.76220 7.529973  535.2230       147.4579 597.8375       
209.8658 474.1698       207.2329 50.75830 10.20707 44.76609 11.07329 5.992210 
15.05995 
1 1 1 19  25  8  o 83.13454 6.274618  1547.670       214.6742 1643.400       
283.4173 1418.825       328.8040 86.67979 7.788066 79.58929 9.840190 7.090492 
12.54924 
1 1 1 19  25  9  o 61.15296 7.063465  785.6456       170.8502 567.0840       
212.5727 1184.446       287.1431 49.32295 10.57117 72.98297 9.371259 -23.66002 
14.12693 
1 1 1 19  25  10 o 34.94661 9.181406  233.6810       184.6166 125.1430       
261.3651 341.7588       260.8105 31.07967 12.67304 38.81354 13.28861 -7.733868 
18.36281 
1 1 1 19  25  11 o 24.25557 7.140030  43.40019       122.8001 -335.6406      
280.3593 133.3838       136.6009 22.15015 10.60946 26.36099 9.558217 -4.210836 
14.28006 
1 1 1 19  25  12 o 57.19733 7.518697  714.4551       136.7076 808.5761       
325.4219 694.2852       150.6452 57.62737 13.64440 56.76729 6.320889 0.8600731 
15.03739 
1 1 1 19  25  13 o 43.06440 8.167868  384.6569       120.2507 522.7485       
301.1905 358.4707       131.1575 46.32645 14.16899 39.80235 8.129936 6.524105 
16.33574 
1 1 1 19  25  14 o 58.98992 6.856009  762.3943       126.2113 829.4470       
300.1295 747.9894       139.1093 58.91195 12.51210 59.06790 5.609519 
-0.1559525     13.71202 
1 1 1 19  25  15 o 96.54359 4.576371  2017.289       164.8327 2003.708       
314.7409 2022.422       193.4890 95.68524 7.834825 97.40195 4.731617 -1.716705 
9.152741 
1 1 1 19  25  16 o 72.83708 4.890126  1188.783       139.7625 1036.300       
235.5831 1271.598       173.6159 68.63559 8.175529 77.03857 5.367875 -8.402977 
9.780252 
1 1 1 19  25  17 o 115.9068 4.794885  2998.048       222.9232 2596.081       
358.2805 3251.965       284.7564 108.7357 7.848237 123.0779 5.510796 -14.34225 
9.589770 
1 1 1 19  25  18 o 99.49570 4.880105  2213.372       189.8244 1983.080       
324.8380 2332.795       233.9209 94.73947 8.166893 104.2519 5.344487 -9.512466 
9.760209 
1 1 1 19  25  19 o 23.22989 7.037867  26.19264       111.5879 20.92212       
213.6875 28.16875       130.8454 25.49399 10.98756 20.96579 8.797719 4.528198 
14.07573 
1 1 1 19  25  20 o 29.65569 7.261513  193.0839       119.5035 -5.842575      
219.6219 276.7557       142.4358 24.96168 10.94873 34.34971 9.541676 -9.388033 
14.52303 
1 1 1 19  25  21 o 38.68818 7.569460  312.1063       114.8548 493.8355       
229.4348 251.3360       132.6759 44.63839 11.98695 32.73796 9.246612 11.90042 
15.13892 
1 1 1 19  25  22 o 46.09031 7.073925  591.6923       127.6135 286.2811       
239.8409 712.3002       150.7192 35.11993 12.67198 57.06068 6.291478 -21.94076 
14.14785 
1 1 1 19  25  23 o 29.44659 11.56879  163.8731       208.7686 0.000000       
0.000000 163.8731       208.7686 ?        ?        29.44659 11.56879 ? ? 
1 1 1 19  25  24 o 27.89487 7.427988  145.8117       111.0104 220.4095       
200.6975 112.9284       133.2498 31.29677 11.56007 24.49297 9.330846 6.803801 
14.85598 
1 1 1 19  25  25 o 29.11460 7.589369  190.0786       117.1051 134.3529       
226.3794 210.4387       136.8359 28.51478 11.73847 29.71443 9.623021 -1.199650 
15.17874 
1 1 1 19  25  26 o 25.11622 6.398585  119.4946       107.9180 -309.8190      
232.4088 237.5076       121.8512 18.98150 9.221984 31.25094 8.872574 -12.26944 
12.79717 
1 1 1 19  25  27 o 41.11649 6.678972  507.8795       97.37006 235.5927       
238.9029 562.1205       106.6283 31.55754 12.38210 50.67545 5.011824 -19.11790 
13.35794 
1 1 1 19  25  28 o 36.51706 7.363858  342.3091       104.2554 341.2159       
238.8673 342.5663       115.8747 35.10683 12.64831 37.92729 7.544921 -2.820457 
14.72772 
1 1 1 19  25  29 o 27.44105 7.506475  85.64483       102.3734 384.4767       
239.3738 18.75271       113.2532 36.31062 12.70295 18.57148 8.001477 17.73914 
15.01295 
1 1 1 19  25  30 o 18.76984 6.317623  -84.29409      99.06966 -41.19551      
240.5877 -93.09427      108.7145 23.04595 10.63255 14.49374 6.826296 8.552211 
12.63525 
1 1 1 19  25  31 o 37.21558 7.198867  396.4453       107.0415 314.2782       
255.1372 413.9978       117.9216 32.31781 12.75979 42.11336 6.669522 -9.795544 
14.39773 
1 1 1 19  25  32 o 34.33005 7.993679  323.4865       114.2629 416.8468       
276.7350 304.2989       125.4564 34.68040 13.38376 33.97969 8.744751 0.7007179 
15.98736 
1 1 1 19  25  33 o 28.38067 7.689374  236.8188       121.9452 210.7157       
255.3144 244.5335       138.8008 27.52633 11.93851 29.23501 9.694221 -1.708679 
15.37875 
1 1 1 19  25  34 o 21.72747 6.823440  82.02811       119.4203 -50.62706      
257.5426 118.3625       134.7863 21.27952 10.18670 22.17543 9.081222 
-0.8959160     13.64688 
1 1 1 19  25  35 o 25.63088 7.615211  194.8646       123.6955 268.5840       
268.1639 174.9401       139.4128 26.89526 11.92075 24.36651 9.479529 2.528748 
15.23042 
1 1 1 19  26  0  o 22.89531 6.569469  71.00708       94.74375 99.05291       
160.6528 56.05129       117.3164 24.89511 10.01863 20.89550 8.500518 3.999613 
13.13894 
1 1 1 19  26  1  o 44.37307 5.651615  452.7600       102.4840 458.1441       
138.8633 446.3193       151.8781 45.21692 7.314884 43.52921 8.617163 1.687710 
11.30323 
1 1 1 19  26  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  26  3  o 44.07151 7.020866  472.3486       127.5214 375.0987       
185.3007 559.8442       175.7623 39.13590 10.88703 49.00712 8.868077 -9.871220 
14.04173 
1 1 1 19  26  4  o 35.40450 7.787163  295.6871       142.0445 446.4802       
189.8824 104.0783       214.0434 42.97670 10.58058 27.83231 11.42852 15.14439 
15.57433 
1 1 1 19  26  5  o 43.33512 7.165707  445.3225       127.8483 471.9767       
189.1235 422.8914       173.4953 44.46594 10.32074 42.20431 9.943425 2.261627 
14.33141 
1 1 1 19  26  6  o 27.97858 7.664110  139.5383       127.9004 31.43135       
232.6685 186.3528       153.1091 26.62095 11.46912 29.33620 10.16925 -2.715248 
15.32822 
1 1 1 19  26  7  o 41.79981 7.083763  478.6450       110.4316 226.8358       
255.3935 536.5520       122.4728 33.76339 12.90176 49.83624 5.853497 -16.07286 
14.16753 
1 1 1 19  26  8  o 56.92692 6.262411  673.6307       120.1377 845.3336       
266.7296 629.9324       134.5595 59.84557 11.02970 54.00828 5.934376 5.837288 
12.52482 
1 1 1 19  26  9  o 75.00912 5.507272  1056.698       137.9959 1566.883       
335.9192 953.1212       151.3569 83.40489 9.593220 66.61337 5.412051 16.79153 
11.01454 
1 1 1 19  26  10 o 62.95843 6.338348  879.6276       129.9970 916.6047       
287.9760 870.1639       145.6853 62.26295 11.44466 63.65390 5.451448 -1.390957 
12.67670 
1 1 1 19  26  11 o 50.60818 7.052796  641.2449       121.3247 489.3640       
254.1286 686.0817       138.0764 44.77720 12.84568 56.43916 5.827200 -11.66196 
14.10559 
1 1 1 19  26  12 o 78.74391 4.993485  1263.233       144.9445 1542.634       
295.5063 1174.717       166.3268 83.48701 8.430802 74.00081 5.353611 9.486206 
9.986971 
1 1 1 19  26  13 o 34.84250 6.199430  319.5846       105.2430 13.25018       
195.5119 444.5619       124.8794 24.41059 10.51513 45.27440 6.569905 -20.86380 
12.39886 
1 1 1 19  26  14 o 91.41165 4.244968  1724.275       149.8189 2008.498       
280.5599 1610.897       177.1989 96.01904 6.959680 86.80425 4.862292 9.214790 
8.489937 
1 1 1 19  26  15 o 54.79213 7.019710  811.8478       127.4477 475.1743       
256.2047 922.5521       146.9146 44.03345 12.98488 65.55080 5.338360 -21.51735 
14.03942 
1 1 1 19  26  16 o 87.29056 4.573627  1651.332       148.2411 1661.256       
285.8389 1647.681       173.3802 86.78335 7.845237 87.79776 4.703672 -1.014412 
9.147255 
1 1 1 19  26  17 o 68.00982 5.938240  1131.477       135.8142 855.3278       
262.6242 1232.291       158.6802 60.20874 10.77939 75.81090 4.985539 -15.60215 
11.87648 
1 1 1 19  26  18 f 59.47205 6.075309  840.9771       132.9818 689.4129       
231.2509 915.8603       162.5465 53.92813 10.59132 65.01597 5.954956 -11.08783 
12.15062 
1 1 1 19  26  19 o 39.93305 7.619369  340.4634       126.4594 553.9212       
224.5575 241.3288       153.0327 47.66413 11.36559 32.20197 10.15099 15.46217 
15.23874 
1 1 1 19  26  20 o 69.72318 5.368967  1123.667       141.4191 969.3896       
252.7725 1193.959       170.6210 65.16126 9.239775 74.28510 5.470812 -9.123840 
10.73793 
1 1 1 19  26  21 o 71.37225 5.192564  1124.406       134.6770 1149.292       
268.1626 1116.012       155.7430 70.88103 9.011337 71.86346 5.162042 
-0.9824219     10.38513 
1 1 1 19  26  22 o 27.69025 7.428726  156.4743       114.6910 50.80413       
232.5108 190.4534       131.8477 26.61653 11.46620 28.76398 9.448287 -2.147442 
14.85745 
1 1 1 19  26  23 o 51.91990 6.977478  692.8793       132.0919 531.3730       
242.2184 761.2419       157.5875 45.14895 12.40318 58.69085 6.395469 -13.54190 
13.95496 
1 1 1 19  26  24 o 41.60020 7.094941  480.6549       130.6937 212.4744       
230.2208 608.1787       158.7547 31.27497 12.17871 51.92542 7.282284 -20.65045 
14.18988 
1 1 1 19  26  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  26  26 o 25.25172 7.623744  77.48412       139.9567 -83.77822      
274.7160 134.0112       162.6469 24.47861 11.31948 26.02483 10.21545 -1.546219 
15.24749 
1 1 1 19  26  27 o 31.39763 7.544259  140.7604       102.0058 505.0051       
239.6079 60.13306       112.7317 42.30311 12.57808 20.49215 8.333991 21.81096 
15.08852 
1 1 1 19  26  28 o 26.11872 7.371967  130.5801       100.4788 164.7315       
241.5670 123.4355       110.4904 28.63243 11.98125 23.60501 8.592633 5.027416 
14.74393 
1 1 1 19  26  29 o 30.79726 5.738289  271.4341       99.49894 -100.8587      
198.1765 396.9099       115.0509 20.04911 9.391655 41.54540 6.596111 -21.49629 
11.47658 
1 1 1 19  26  30 o 37.27578 7.184649  392.8861       109.1651 313.1393       
245.3150 412.5773       121.9000 32.57506 12.59491 41.97651 6.917009 -9.401443 
14.36930 
1 1 1 19  26  31 o 27.72199 7.558991  196.1096       113.6064 176.6276       
249.7591 201.1920       127.5672 27.78250 11.92398 27.66148 9.293652 0.1210117 
15.11798 
1 1 1 19  26  32 o 26.41097 7.744282  148.4411       118.7960 277.1028       
261.0740 114.8457       133.4071 29.95146 12.48932 22.87049 9.160375 7.080973 
15.48856 
1 1 1 19  26  33 o 22.43151 6.989316  88.59943       112.6247 53.38619       
256.8264 96.98335       125.3170 23.50943 10.89935 21.35358 8.752499 2.155853 
13.97863 
1 1 1 19  26  34 o 21.67887 7.069710  -12.86157      119.2212 296.4557       
258.4692 -96.45767      134.3692 27.92740 12.06079 15.43033 7.379748 12.49708 
14.13942 
1 1 1 19  27  0  o 46.15401 6.734488  505.8580       120.3581 561.8990       
215.3544 480.4025       145.1416 46.52697 11.15301 45.78105 7.551397 0.7459259 
13.46898 
1 1 1 19  27  1  o 27.00310 7.468931  132.5304       111.6989 188.1513       
215.5162 112.1021       130.6103 29.88322 11.74983 24.12297 9.223946 5.760246 
14.93786 
1 1 1 19  27  2  o 64.26764 3.846172  941.8493       97.79522 756.6525       
157.3744 1058.354       124.8217 58.39632 6.419034 70.13895 4.238886 -11.74262 
7.692344 
1 1 1 19  27  3  o 26.14151 9.640507  141.4807       139.4735 141.4807       
139.4735 0.000000       0.000000 26.14151 9.640507 ?        ?        ? ? 
1 1 1 19  27  4  f 61.29473 6.060093  936.7540       116.9694 739.3938       
248.0858 993.1680       132.6376 54.68591 11.19162 67.90356 4.652594 -13.21765 
12.12019 
1 1 1 19  27  5  o 65.89821 5.082959  839.5607       106.6877 1177.041       
272.7386 778.5919       115.9249 71.60957 9.071868 60.18686 4.587711 11.42271 
10.16592 
1 1 1 19  27  6  o 37.50106 7.385522  336.9726       101.4904 310.4355       
250.8306 342.1676       110.9808 36.18157 12.96855 38.82055 7.071103 -2.638981 
14.77104 
1 1 1 19  27  7  o 26.61739 7.284904  118.6772       99.97913 151.2959       
215.5518 109.7361       112.8528 29.49648 11.70215 23.73830 8.679803 5.758177 
14.56981 
1 1 1 19  27  8  o 76.07181 5.138794  1258.522       140.6174 1315.288       
286.1725 1240.453       161.4530 76.22191 8.942710 75.92171 5.065252 0.3001938 
10.27759 
1 1 1 19  27  9  o 44.93914 6.831084  526.5922       113.7528 341.8696       
221.7460 592.5637       132.5178 37.64507 12.25307 52.23322 6.042943 -14.58815 
13.66217 
1 1 1 19  27  10 o 53.99767 5.598196  603.6678       114.9412 756.3400       
223.6217 548.8503       133.9967 57.79376 9.216248 50.20157 6.357668 7.592186 
11.19639 
1 1 1 19  27  11 o 24.28559 7.004844  18.80290       105.6553 193.4778       
200.6622 -48.19886      124.2778 30.89878 11.52978 17.67240 7.958362 13.22637 
14.00969 
1 1 1 19  27  12 o 36.09355 7.541999  286.8422       110.8051 364.2093       
219.0368 260.2340       128.4537 38.77381 12.12884 33.41328 8.967616 5.360527 
15.08400 
1 1 1 19  27  13 o 20.14972 6.346209  -29.05223      96.62553 -2.987258      
186.0788 -38.67528      113.0640 23.21776 10.13161 17.08168 7.645129 6.136078 
12.69242 
1 1 1 19  27  14 o 57.13798 5.352146  635.2005       110.8947 906.2406       
238.3601 560.3283       125.2786 63.40940 8.953668 50.86656 5.866318 12.54284 
10.70429 
1 1 1 19  27  15 o 34.93952 6.910367  309.5736       112.5625 132.2823       
194.7778 398.4739       137.9264 28.20229 11.14436 41.67675 8.174096 -13.47445 
13.82073 
1 1 1 19  27  16 o 31.18092 7.093155  232.4404       108.1796 113.2857       
197.7011 283.3644       129.2453 27.56017 11.10451 34.80168 8.828442 -7.241507 
14.18631 
1 1 1 19  27  17 o 103.3217 4.848050  2352.692       193.2502 2326.488       
347.9135 2364.385       232.3984 101.9659 8.127129 104.6775 5.288113 -2.711601 
9.696100 
1 1 1 19  27  18 o 103.1935 5.160627  2373.164       207.9577 2318.958       
364.8549 2399.248       253.0936 101.2730 8.581190 105.1140 5.735107 -3.840988 
10.32125 
1 1 1 19  27  19 o 31.45906 8.102965  188.3611       118.6510 302.2441       
258.7562 158.0406       133.5149 35.87227 13.14054 27.04585 9.484642 8.826418 
16.20593 
1 1 1 19  27  20 o 111.3848 5.340014  2887.821       202.1538 2568.540       
424.0457 2981.725       229.9681 105.0725 9.612680 117.6970 4.653965 -12.62449 
10.68003 
1 1 1 19  27  21 o 73.82641 5.099479  1175.025       141.2610 1318.175       
274.1053 1123.257       164.8362 75.82490 8.610466 71.82792 5.466133 3.996979 
10.19896 
1 1 1 19  27  22 o 32.73174 7.817174  234.5421       113.9269 329.0130       
230.8924 204.1402       130.9819 36.06976 12.48949 29.39373 9.404547 6.676027 
15.63435 
1 1 1 19  27  23 o 40.47304 7.652198  415.9500       122.1252 399.0129       
246.0519 421.4863       140.6763 38.69353 12.90715 42.25254 8.223753 -3.559013 
15.30440 
1 1 1 19  27  24 o 24.87317 7.368368  71.62884       135.0580 -185.3314      
268.0595 159.0502       156.3533 22.60319 10.66715 27.14315 10.16776 -4.539961 
14.73674 
1 1 1 19  27  25 o 27.76063 8.133689  123.2089       137.3782 197.6483       
277.1706 98.96629       158.1741 31.10845 12.91357 24.41282 9.892789 6.695631 
16.26738 
1 1 1 19  27  26 o 22.29345 7.209384  -26.86678      138.0690 -118.5774      
273.8373 4.395128       159.8786 23.56908 11.04040 21.01783 9.274183 2.551250 
14.41877 
1 1 1 19  27  27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  27  28 o 27.32090 7.914204  160.0438       142.1798 37.74862       
279.6687 202.6684       165.1085 26.16888 11.85303 28.47293 10.49020 -2.304045 
15.82841 
1 1 1 19  27  29 o 34.99903 7.122455  353.7104       104.4341 240.3434       
245.2688 378.8155       115.4198 30.27913 12.30001 39.71893 7.185210 -9.439796 
14.24491 
1 1 1 19  27  30 o 32.99428 7.775686  262.6271       104.4177 425.9078       
247.0938 227.1300       115.2102 36.39886 12.88901 29.58969 8.701648 6.809170 
15.55137 
1 1 1 19  27  31 o 35.75609 7.673978  380.7241       119.3962 354.9492       
249.5802 388.3734       135.9635 32.89204 12.70673 38.62014 8.608068 -5.728100 
15.34796 
1 1 1 19  27  32 o 21.83475 6.609600  84.24783       99.76587 53.38940       
201.2649 94.30011       114.8718 22.50903 10.13255 21.16047 8.489919 1.348562 
13.21920 
1 1 1 19  27  33 o 21.93358 6.877725  86.76593       118.6010 -17.64409      
257.7139 114.8203       133.5879 21.83131 10.37196 22.03585 9.035196 
-0.2045383     13.75545 
1 1 1 19  27  34 o 20.70641 6.465236  76.36257       102.4345 31.24788       
210.8144 90.30608       117.1999 21.11443 9.821943 20.29839 8.409906 0.8160381 
12.93047 
1 1 1 19  28  0  o 34.03864 5.006348  257.9290       67.78570 357.1988       
112.3950 201.1797       84.98029 38.97034 7.135365 29.10694 7.024290 9.863401 
10.01270 
1 1 1 19  28  1  o 61.71693 4.140073  773.3705       86.05765 980.3593       
200.3263 726.5270       95.29927 65.37165 7.299104 58.06220 3.909463 7.309448 
8.280146 
1 1 1 19  28  2  o 40.60057 5.165041  357.2369       80.33937 451.1647       
147.2703 317.4415       95.85941 43.41957 8.377877 37.78157 6.043324 5.638008 
10.33008 
1 1 1 19  28  3  o 69.29919 6.380275  1070.628       185.6293 0.000000       
0.000000 1070.628       185.6293 ?        ?        69.29919 6.380275 ? ? 
1 1 1 19  28  4  o 14.62052 4.926125  -123.4148      81.37369 -189.7972      
137.9910 -88.02287      100.7574 14.99774 7.245151 14.24330 6.676423 0.7544365 
9.852250 
1 1 1 19  28  5  o 31.13051 6.447652  226.7778       85.22480 245.9161       
152.6350 218.1084       102.7299 31.86018 10.14800 30.40084 7.956573 1.459347 
12.89530 
1 1 1 19  28  6  o 31.60936 6.311316  267.0551       93.43389 69.61127       
186.2741 333.4312       108.0032 25.04842 10.50333 38.17030 7.000783 -13.12189 
12.62263 
1 1 1 19  28  7  o 18.25743 5.984567  -69.98805      97.32769 -139.4721      
192.9590 -46.27811      112.7166 19.87532 9.302547 16.63953 7.531455 3.235792 
11.96913 
1 1 1 19  28  8  o 22.80342 6.367824  68.15781       99.42274 -165.2123      
194.1061 151.1605       115.7611 19.46827 9.155234 26.13858 8.853158 -6.670319 
12.73565 
1 1 1 19  28  9  o 20.16924 6.307814  -11.99416      101.4694 -166.7410      
203.1776 39.42670       117.1210 20.02098 9.401908 20.31749 8.411789 
-0.2965088     12.61563 
1 1 1 19  28  10 o 57.13620 6.017632  786.8445       113.5887 673.9137       
233.3963 821.8944       130.0264 52.55701 10.93910 61.71539 5.018330 -9.158382 
12.03526 
1 1 1 19  28  11 o 38.84303 6.574028  329.9735       103.1191 486.7898       
176.1609 248.2291       127.1871 45.25328 9.567215 32.43277 9.018856 12.82051 
13.14806 
1 1 1 19  28  12 o 57.80146 4.966980  752.1583       115.1491 686.3621       
187.9031 791.7265       145.7160 55.25767 8.099579 60.34525 5.751555 -5.087582 
9.933960 
1 1 1 19  28  13 o 33.30776 7.305175  197.2957       106.2849 446.8709       
209.4780 110.7723       123.3401 42.43108 11.48065 24.18444 9.036425 18.24664 
14.61035 
1 1 1 19  28  14 o 56.80267 6.034654  721.7320       123.0303 774.8677       
240.4312 702.8832       143.1983 56.84216 10.46718 56.76318 6.008861 
0.7897949E-01  12.06931 
1 1 1 19  28  15 o 41.85035 7.140489  441.0049       119.2551 340.4126       
224.5563 480.5202       140.7426 37.17015 12.33047 46.53054 7.204575 -9.360390 
14.28098 
1 1 1 19  28  16 o 34.91909 7.285845  152.3914       123.0728 619.9445       
238.8294 -16.65962      143.6089 49.87245 11.61256 19.96572 8.802416 29.90673 
14.57169 
1 1 1 19  28  17 o 35.75993 7.115653  236.2446       109.7127 535.7174       
207.8558 120.5870       129.1726 46.67366 10.81108 24.84620 9.254766 21.82745 
14.23131 
1 1 1 19  28  18 o 28.34277 7.528087  161.7214       113.8498 171.5145       
211.5867 157.7306       135.0698 29.73289 11.65547 26.95265 9.530920 2.780237 
15.05617 
1 1 1 19  28  19 o 79.93445 5.194761  1458.782       152.6147 1369.957       
291.5355 1492.313       179.1180 76.92691 9.026809 82.94199 5.143822 -6.015083 
10.38952 
1 1 1 19  28  20 o 32.83051 7.644359  262.5553       117.6406 234.1172       
216.7092 274.4370       140.0767 32.04107 11.97679 33.61996 9.502703 -1.578899 
15.28872 
1 1 1 19  28  21 o 41.92715 6.618730  235.5742       110.9421 904.9197       
254.6798 78.81252       123.2507 61.58834 9.849563 22.26596 8.844007 39.32239 
13.23746 
1 1 1 19  28  22 o 24.66474 7.265621  39.08701       106.2895 212.2795       
226.7164 -9.703351      120.3332 30.99245 12.08218 18.33703 8.073280 12.65543 
14.53124 
1 1 1 19  28  23 o 35.16493 8.161686  293.8935       122.6717 381.7233       
261.9456 269.2199       138.8374 37.38763 13.26752 32.94223 9.509223 4.445393 
16.32337 
1 1 1 19  28  24 o 45.98323 8.095592  554.5964       144.1958 548.0944       
290.1415 556.7292       166.1702 43.13897 14.01593 48.82749 8.106062 -5.688522 
16.19118 
1 1 1 19  28  25 o 51.24262 7.913168  761.3996       161.3753 496.1017       
286.1288 885.1533       195.4221 40.69269 13.91867 61.79255 7.532838 -21.09986 
15.82634 
1 1 1 19  28  26 f 26.90065 7.869593  132.0110       150.3719 -57.88364      
277.5901 210.8773       178.8931 24.54572 11.36122 29.25558 10.89241 -4.709862 
15.73919 
1 1 1 19  28  27 o 32.12384 7.379287  285.7811       142.5837 -80.03749      
262.0329 439.6598       169.9465 23.30927 10.88435 40.93840 9.967274 -17.62912 
14.75857 
1 1 1 19  28  28 o 33.16922 7.872349  323.1485       141.2841 143.1685       
249.9031 407.6997       171.2851 27.56173 11.88051 38.77671 10.33194 -11.21498 
15.74470 
1 1 1 19  28  29 o 33.15104 12.47222  333.7663       235.7594 333.7663       
235.7594 0.000000       0.000000 33.15104 12.47222 ?        ?        ? ? 
1 1 1 19  28  30 o 21.20294 6.653880  -48.19170      139.7904 -466.8426      
245.8613 151.8013       169.9306 16.92650 8.447137 25.47939 10.28311 -8.552891 
13.30776 
1 1 1 19  28  31 o 22.88550 6.839971  101.9469       109.7719 49.57835       
203.0695 123.5670       130.4783 22.67190 10.19342 23.09910 9.123325 
-0.4271965     13.67994 
1 1 1 19  28  32 o 20.83431 6.697598  40.22075       115.4244 -26.22120      
250.6729 58.09833       130.0291 21.80778 10.29871 19.86085 8.565506 1.946936 
13.39520 
1 1 1 19  28  33 o 26.24553 7.712653  194.2777       121.0223 334.6736       
260.7227 155.7197       136.6339 28.87969 12.28168 23.61137 9.332762 5.268318 
15.42531 
1 1 1 19  29  0  o 21.55905 4.898925  101.9185       63.57692 -74.82409      
113.3237 183.0979       76.80209 15.39582 7.177004 27.72227 6.669969 -12.32645 
9.797850 
1 1 1 19  29  1  o 46.35809 5.197315  503.3440       81.89126 506.8671       
169.0616 502.2640       93.60565 44.84029 9.293044 47.87589 4.657000 -3.035606 
10.39463 
1 1 1 19  29  2  o 25.31104 6.445748  141.3085       76.42728 130.6836       
175.7768 143.7854       84.86937 25.99287 10.47165 24.62921 7.518990 1.363667 
12.89150 
1 1 1 19  29  3  o 44.71408 6.400240  452.2923       91.75814 548.8206       
220.9907 432.1839       100.8637 45.19956 11.59080 44.22860 5.431911 0.9709663 
12.80048 
1 1 1 19  29  4  o 42.23426 11.41220  472.6782       207.1582 472.6782       
207.1582 0.000000       0.000000 42.23426 11.41220 ?        ?        ? ? 
1 1 1 19  29  5  o 33.07215 6.411221  302.6654       87.89628 97.58923       
224.9127 339.6316       95.49015 26.95787 11.43355 39.18643 5.804221 -12.22856 
12.82244 
1 1 1 19  29  6  f 30.22282 6.162147  250.9194       82.56234 -26.12006      
232.6840 290.8229       88.30835 24.13526 10.87801 36.31039 5.792846 -12.17513 
12.32429 
1 1 1 19  29  7  o 48.19106 7.088861  553.7510       112.5668 587.0162       
259.6599 546.0525       124.9152 46.65071 12.85355 49.73142 5.982811 -3.080708 
14.17772 
1 1 1 19  29  8  o 23.74274 6.928191  62.18051       99.80231 132.7700       
196.5789 37.66728       115.8422 27.50996 11.07763 19.97552 8.323788 7.534433 
13.85638 
1 1 1 19  29  9  o 27.40702 7.114693  162.3207       108.7751 91.13326       
181.7794 202.0295       135.7645 25.52009 10.51443 29.29395 9.587603 -3.773861 
14.22939 
1 1 1 19  29  10 o 22.17832 6.808830  24.29842       108.2036 -15.03174      
210.1317 38.48999       126.2245 23.64038 10.50581 20.71626 8.664210 2.924110 
13.61766 
1 1 1 19  29  11 o 22.10319 6.750422  21.69282       106.5224 38.18637       
193.1780 14.48653       127.6899 24.33883 10.46774 19.86755 8.526381 4.471279 
13.50084 
1 1 1 19  29  12 o 39.65262 6.721918  419.2963       113.3803 221.8933       
201.6594 510.5404       137.1022 31.38445 11.58869 47.92080 6.814615 -16.53635 
13.44384 
1 1 1 19  29  13 o 32.21045 6.897561  268.9263       112.9660 46.99215       
210.3215 358.9112       133.9234 25.42412 10.92800 38.99677 8.419276 -13.57265 
13.79512 
1 1 1 19  29  14 o 31.07092 7.181043  240.2932       107.8659 107.0143       
221.3255 281.8116       123.5295 27.71726 11.52478 34.42459 8.570236 -6.707331 
14.36209 
1 1 1 19  29  15 o 68.67076 5.421476  1093.885       140.0308 988.3186       
254.9024 1139.514       167.5828 65.06837 9.330934 72.27316 5.522979 -7.204796 
10.84295 
1 1 1 19  29  16 o 38.91166 6.515716  410.8224       106.7045 199.3417       
195.6898 500.3060       127.2930 30.25063 11.36656 47.57270 6.373353 -17.32207 
13.03143 
1 1 1 19  29  17 o 28.98646 7.454466  178.3876       109.9499 216.1952       
202.0672 162.4857       131.0481 31.01221 11.57048 26.96072 9.402144 4.051485 
14.90893 
1 1 1 19  29  18 o 36.34697 7.088680  353.0801       113.5924 207.0767       
212.2427 411.6893       134.4727 30.73681 11.75673 41.95712 7.923190 -11.22030 
14.17736 
1 1 1 19  29  19 o 21.60313 6.861734  -9.037858      106.4513 -6.517700      
237.6660 -9.670326      119.0621 24.92749 11.12229 18.27878 8.039165 6.648703 
13.72347 
1 1 1 19  29  20 o 19.82075 6.605112  -92.92184      110.2803 -81.50010      
251.0929 -95.65163      122.7534 23.77852 10.92696 15.86298 7.423714 7.915541 
13.21022 
1 1 1 19  29  21 o 37.42439 8.119855  303.0533       120.8078 529.2348       
260.6478 241.1703       136.3363 43.56335 13.15251 31.28544 9.525736 12.27791 
16.23971 
1 1 1 19  29  22 o 30.15478 7.772756  145.3110       110.1442 406.1080       
242.1756 77.29485       123.6759 38.32250 12.80507 21.98706 8.814367 16.33544 
15.54551 
1 1 1 19  29  23 f 54.58181 7.295439  797.5428       136.0438 651.8956       
275.3344 844.5860       156.4796 47.70733 13.27074 61.45630 6.064743 -13.74897 
14.59088 
1 1 1 19  29  24 o 41.04978 8.094727  478.7702       143.4336 380.6461       
265.5037 519.2103       170.4467 36.42148 13.31379 45.67807 9.210944 -9.256592 
16.18945 
1 1 1 19  29  25 o 34.19709 8.385792  305.0938       137.6545 382.1811       
254.6878 273.2819       163.6105 36.18082 13.05796 32.21335 10.52501 3.967472 
16.77158 
1 1 1 19  29  26 o 25.46075 7.568950  75.32544       133.9262 235.8351       
225.5244 -12.11387      166.4548 30.37139 11.99483 20.55011 9.234721 9.821285 
15.13790 
1 1 1 19  29  27 o 30.09362 8.054859  234.9050       135.0960 277.5087       
228.3679 211.9689       167.5604 31.52716 12.15987 28.66007 10.56696 2.867090 
16.10972 
1 1 1 19  29  28 o 23.67560 7.346826  66.08103       137.3338 47.11735       
228.1378 76.85854       171.9868 24.20568 10.84600 23.14552 9.913006 1.060163 
14.69365 
1 1 1 19  29  29 o 27.68518 7.898692  168.7330       136.2560 319.2584       
234.6919 92.19897       167.3481 32.10605 12.33893 23.26431 9.864493 8.841738 
15.79738 
1 1 1 19  29  30 o 19.04952 6.423709  -107.5946      129.5618 -58.61017      
234.9482 -128.9997      155.3109 21.53092 10.11086 16.56812 7.926332 4.962797 
12.84742 
1 1 1 19  29  31 o 23.25268 10.69488  52.41158       241.1348 52.41158       
241.1348 0.000000       0.000000 23.25268 10.69488 ?        ?        ? ? 
1 1 1 19  29  32 o 25.12906 7.611856  101.2752       129.3197 418.8278       
252.8379 -11.22973      150.4943 31.94107 12.67331 18.31705 8.434961 13.62402 
15.22371 
1 1 1 19  29  33 o 18.24157 6.219026  -58.69220      109.7740 -18.50715      
252.6121 -68.04729      121.8838 21.22506 10.14334 15.25807 7.198456 5.966993 
12.43805 
1 1 1 19  30  0  o 18.78149 5.197269  58.03139       57.87987 93.88451       
96.08352 37.61122       72.51289 21.06474 7.952989 16.49824 6.693012 4.566496 
10.39454 
1 1 1 19  30  1  o 23.63681 6.112142  104.0985       69.95866 201.1404       
143.4339 73.80692       80.13701 27.99819 9.829502 19.27543 7.267324 8.722761 
12.22428 
1 1 1 19  30  2  o 49.31966 4.321903  520.9901       79.48958 624.7375       
157.7917 485.7076       92.01864 51.64281 7.277722 46.99651 4.663707 4.646301 
8.643806 
1 1 1 19  30  3  o 31.64057 6.110127  250.1304       75.88147 239.2789       
158.2923 253.3681       86.46378 30.39229 10.35254 32.88884 6.493043 -2.496552 
12.22025 
1 1 1 19  30  4  o 63.64713 4.713691  887.2634       125.9560 0.000000       
0.000000 887.2634       125.9560 ?        ?        63.64713 4.713691 ? ? 
1 1 1 19  30  5  o 37.14847 6.578185  304.1314       83.54877 426.5580       
200.0385 278.2623       91.95313 39.70131 11.39933 34.59563 6.568511 5.105679 
13.15637 
1 1 1 19  30  6  o 15.02051 4.947970  -54.85673      69.49052 -427.8375      
189.7438 2.919360       74.67899 14.97880 7.467462 15.06222 6.493585 
-0.8342171E-01 9.895941 
1 1 1 19  30  7  o 23.45015 6.501633  104.4593       91.82618 -49.26727      
201.6785 144.6622       103.1369 21.89093 9.962629 25.00936 8.356490 -3.118435 
13.00327 
1 1 1 19  30  8  o 25.97853 6.960956  51.74794       95.74992 324.4323       
203.1191 -26.15907      108.5698 35.17042 11.72714 16.78665 7.502914 18.38377 
13.92191 
1 1 1 19  30  9  o 37.49346 7.157262  347.7268       105.8429 362.2551       
209.7450 342.7633       122.5973 37.00575 11.90699 37.98117 7.945393 
-0.9754219     14.31452 
1 1 1 19  30  10 f 32.43385 7.425540  255.4028       110.7853 283.5049       
193.2160 241.6391       135.2206 33.48132 11.43769 31.38638 9.472789 2.094936 
14.85108 
1 1 1 19  30  11 o 37.33323 7.119652  327.7257       105.8525 409.4469       
199.4353 295.6754       124.8966 39.66592 11.37983 35.00054 8.559045 4.665386 
14.23930 
1 1 1 19  30  12 o 20.02797 6.365355  -20.12381      101.3232 -40.84602      
194.0017 -12.35106      118.8160 21.92144 9.903609 18.13450 7.999342 3.786945 
12.73071 
1 1 1 19  30  13 o 30.70596 7.449194  215.4766       105.8578 251.6800       
209.1702 203.0116       122.7360 32.30279 11.81636 29.10914 9.073899 3.193655 
14.89839 
1 1 1 19  30  14 o 29.69602 7.308143  129.3023       105.2554 399.8525       
212.2296 41.04833       121.2130 39.00742 11.88650 20.38462 8.505699 18.62281 
14.61629 
1 1 1 19  30  15 o 30.57885 7.193506  231.2188       107.2871 166.2774       
194.0727 259.8002       128.7495 28.51233 11.16559 32.64537 9.072805 -4.133039 
14.38701 
1 1 1 19  30  16 o 25.55965 7.209308  105.7424       110.2077 168.9888       
194.1361 75.66873       133.8696 28.58017 11.17247 22.53914 9.114410 6.041023 
14.41862 
1 1 1 19  30  17 o 42.13174 7.440398  450.3454       120.8497 443.4369       
236.4077 452.7893       140.6102 40.41855 12.59208 43.84493 7.929543 -3.426384 
14.88080 
1 1 1 19  30  18 o 30.99832 7.818624  155.4811       116.2212 433.7333       
241.0252 71.18382       132.6630 39.78238 12.76037 22.21427 9.038615 17.56811 
15.63725 
1 1 1 19  30  19 o 42.28860 7.633049  421.7041       121.5026 559.5234       
246.8368 377.6320       139.5842 45.14342 12.56773 39.43377 8.666372 5.709660 
15.26610 
1 1 1 19  30  20 o 35.96320 7.725281  310.7870       109.2884 383.8059       
248.6112 293.2966       121.6755 37.21508 12.95275 34.71132 8.422945 2.503761 
15.45056 
1 1 1 19  30  21 o 30.66409 8.099877  135.9965       117.3031 462.1526       
271.1485 60.89940       130.1086 39.83913 13.54941 21.48904 8.879497 18.35009 
16.19975 
1 1 1 19  30  22 o 20.68654 6.548910  -10.42517      115.0070 -343.8383      
264.3295 67.42885       127.7306 19.80118 9.666348 21.57190 8.838246 -1.770718 
13.09782 
1 1 1 19  30  23 o 32.68249 8.244355  286.8111       139.2749 246.0515       
258.2106 303.5351       165.3980 31.49175 12.68977 33.87323 10.52841 -2.381475 
16.48871 
1 1 1 19  30  24 o 36.48079 7.500217  395.4650       138.5874 136.2177       
247.7603 513.5157       167.1895 27.78405 11.89876 45.17752 9.134135 -17.39346 
15.00043 
1 1 1 19  30  25 o 46.17373 7.508036  586.7831       144.8492 479.1681       
227.2357 660.4390       187.9938 40.36833 12.29922 51.97913 8.614609 -11.61080 
15.01607 
1 1 1 19  30  26 o 22.88163 7.113780  42.94732       133.0694 -53.82920      
223.6952 95.94939       165.5457 22.00646 10.19085 23.75679 9.928243 -1.750336 
14.22756 
1 1 1 19  30  27 o 38.43674 7.596064  451.9972       143.7607 215.9317       
231.6773 599.8073       183.3240 28.97675 11.89279 47.89673 9.453166 -18.91998 
15.19213 
1 1 1 19  30  28 o 21.91031 7.019707  -6.861186      128.6896 115.7581       
228.8363 -63.57669      155.6311 25.63063 11.20954 18.18999 8.452892 7.440639 
14.03941 
1 1 1 19  30  29 o 36.02579 8.353762  396.6998       137.6385 462.5374       
261.0322 371.3458       161.9871 36.12865 13.20174 35.92294 10.23990 0.2057076 
16.70752 
1 1 1 19  30  30 o 21.09970 6.777345  15.37804       135.1702 -180.4952      
247.8021 98.34566       161.2767 19.67488 9.547440 22.52453 9.621643 -2.849651 
13.55469 
1 1 1 19  30  31 o 21.98203 7.212078  29.56532       136.0171 166.8156       
279.1505 -13.16501      155.7578 25.39985 11.60876 18.56421 8.561134 6.835642 
14.42416 
1 1 1 19  30  32 o 21.09570 7.129735  -23.77307      139.3845 185.1479       
302.4428 -80.11292      157.0580 25.28806 11.76379 16.90333 8.058892 8.384727 
14.25947 
1 1 1 19  31  0  o 18.72131 4.917970  47.84327       54.35202 141.7681       
88.95887 -8.102957      68.65693 23.79456 7.760890 13.64806 6.042706 10.14650 
9.835939 
1 1 1 19  31  1  o 43.56562 3.908421  441.3981       68.49605 385.1069       
108.9256 478.2166       88.09325 40.66042 6.380861 46.47082 4.515266 -5.810402 
7.816842 
1 1 1 19  31  2  o 28.75020 6.099771  217.9931       76.68247 177.6918       
150.2413 232.1901       89.17191 26.62105 9.968060 30.87935 7.033252 -4.258301 
12.19954 
1 1 1 19  31  3  o 14.05278 4.765735  -103.2678      73.48416 -163.4217      
140.4699 -80.60314      86.22348 15.26713 7.360111 12.83843 6.056212 2.428702 
9.531470 
1 1 1 19  31  4  o 47.70365 4.991060  422.2374       82.55992 760.0862       
195.7244 349.1130       91.05731 55.94945 8.332403 39.45786 5.496705 16.49159 
9.982120 
1 1 1 19  31  5  o 64.22751 6.994410  956.9677       188.6041 956.9677       
188.6041 0.000000       0.000000 64.22751 6.994410 ?        ?        ? ? 
1 1 1 19  31  6  o 55.18185 4.469992  726.1527       82.31722 625.6208       
174.4880 754.9324       93.35932 51.24575 8.110149 59.11794 3.761486 -7.872192 
8.939983 
1 1 1 19  31  7  o 24.33029 6.247651  133.9069       78.80134 97.86541       
153.0219 146.9143       91.92773 23.83096 9.703734 24.82962 7.872110 
-0.9986610     12.49530 
1 1 1 19  31  8  o 29.48265 6.488122  195.4960       78.79384 267.6646       
162.7182 173.3903       90.05647 32.12066 10.49627 26.84465 7.629630 5.276007 
12.97624 
1 1 1 19  31  9  o 29.23957 6.414440  214.9378       85.94156 176.7439       
150.9276 233.2640       104.5460 27.48964 10.03912 30.98950 7.987251 -3.499855 
12.82888 
1 1 1 19  31  10 o 37.32604 6.045460  297.1001       85.05524 466.5538       
166.1706 236.9432       99.00829 43.20808 9.421543 31.44401 7.577920 11.76407 
12.09092 
1 1 1 19  31  11 o 27.27031 7.088130  168.2870       100.4054 156.2524       
191.4038 172.8559       117.9346 27.61989 11.00529 26.92073 8.935884 0.6991596 
14.17626 
1 1 1 19  31  12 o 31.63650 6.843024  268.8608       102.4896 126.5168       
203.0748 317.5085       118.7183 26.92739 11.10697 36.34561 7.996445 -9.418222 
13.68605 
1 1 1 19  31  13 o 34.13784 7.339572  251.6258       103.0459 431.9593       
207.3433 192.4753       118.7492 40.09122 11.63639 28.18445 8.948277 11.90677 
14.67914 
1 1 1 19  31  14 o 35.74638 6.482092  369.8475       108.6853 84.92236       
217.6981 464.4423       125.4361 26.11499 11.16776 45.37777 6.584162 -19.26278 
12.96418 
1 1 1 19  31  15 o 28.55741 7.133300  152.1699       99.51030 322.5870       
189.8551 87.61944       116.8464 34.99823 11.33511 22.11659 8.663203 12.88164 
14.26660 
1 1 1 19  31  16 o 33.81907 7.325634  309.0362       114.3765 195.3855       
222.8770 349.6673       133.2625 29.79189 11.87413 37.84624 8.582817 -8.054354 
14.65127 
1 1 1 19  31  17 o 24.19783 6.651219  105.3736       108.2575 -214.2336      
234.5469 191.8941       122.0341 20.29185 9.715669 28.10381 9.086287 -7.811954 
13.30244 
1 1 1 19  31  18 o 26.16615 7.267932  139.8688       110.5940 116.7951       
208.6420 148.8852       130.4241 26.63984 11.14032 25.69246 9.337272 0.9473820 
14.53586 
1 1 1 19  31  19 o 31.43848 7.494651  260.3146       113.4527 162.9329       
243.9246 287.1966       128.1587 28.93587 12.06940 33.94109 8.888687 -5.005219 
14.98930 
1 1 1 19  31  20 o 25.06673 6.530191  131.0127       108.8778 -287.1735      
247.0775 231.7861       121.2890 19.66917 9.541163 30.46429 8.918508 -10.79512 
13.06038 
1 1 1 19  31  21 o 26.59549 7.504022  111.5191       106.2626 270.7246       
233.5961 69.97803       119.3233 32.03460 12.31048 21.15638 8.584488 10.87822 
15.00804 
1 1 1 19  31  22 o 29.99829 6.985326  247.0600       107.8115 69.97980       
224.4395 300.1767       122.9221 25.32444 11.08827 34.67215 8.498789 -9.347710 
13.97065 
1 1 1 19  31  23 o 35.83755 7.964599  347.5847       129.6283 412.4579       
215.5415 310.8249       162.2499 37.71283 12.06397 33.96228 10.40192 3.750549 
15.92920 
1 1 1 19  31  24 o 21.69043 6.826535  2.050807       130.1258 -152.4821      
215.7066 90.46165       163.1570 19.84278 9.456528 23.53808 9.847864 -3.695301 
13.65307 
1 1 1 19  31  25 o 44.84463 7.236047  595.3526       141.6881 327.4781       
227.1860 765.8684       181.2585 33.18321 12.29079 56.50605 7.640546 -23.32284 
14.47209 
1 1 1 19  31  26 o 24.50421 7.337376  107.0328       132.7553 8.923907       
224.4464 159.8252       164.6434 23.08085 10.50571 25.92758 10.24589 -2.846729 
14.67475 
1 1 1 19  31  27 o 18.85089 6.289252  -90.30754      126.6078 -217.7136      
231.2110 -35.74390      151.3091 19.08965 9.250565 18.61214 8.523251 0.4775124 
12.57850 
1 1 1 19  31  28 o 22.54214 7.212011  19.39809       128.0362 163.0107       
250.4212 -31.43106      148.9812 26.67325 11.69542 18.41103 8.442129 8.262222 
14.42402 
1 1 1 19  31  29 o 21.54130 7.108358  -13.49651      132.9287 125.4870       
271.5821 -57.28301      152.4367 25.40676 11.56224 17.67584 8.272226 7.730919 
14.21672 
1 1 1 19  31  30 o 22.86196 7.468104  52.40793       136.5651 225.8242       
302.9023 8.164027       152.9975 26.70437 12.16828 19.01955 8.661604 7.684820 
14.93621 
1 1 1 19  31  31 o 21.52238 7.039063  58.59167       136.2216 -21.83864      
299.2090 79.62164       152.9974 22.17122 10.70161 20.87354 9.147085 1.297682 
14.07813 
1 1 1 19  32  0  o 20.40228 5.054279  91.35724       53.30737 150.6584       
87.02648 55.74498       67.44029 23.92322 7.666974 16.88133 6.587903 7.041887 
10.10856 
1 1 1 19  32  1  o 20.97000 5.333579  89.70527       59.46236 163.6556       
99.44702 48.55416       74.18439 24.97593 8.205647 16.96406 6.815837 8.011875 
10.66716 
1 1 1 19  32  2  o 18.66137 5.543481  8.701230       66.17024 140.6126       
133.0981 -34.60616      76.26266 24.07013 9.283305 13.25261 6.061435 10.81752 
11.08696 
1 1 1 19  32  3  o 22.08851 6.063152  10.37646       73.62264 275.3329       
162.0962 -58.48714      82.63810 31.10564 10.47619 13.07138 6.107107 18.03426 
12.12630 
1 1 1 19  32  4  o 18.94554 5.856993  -43.25987      74.46107 157.5851       
162.2610 -96.83791      83.80637 25.77730 10.17624 12.11379 5.801857 13.66351 
11.71399 
1 1 1 19  32  5  o 16.08382 7.349587  -42.93169      111.8319 0.000000       
0.000000 -42.93169      111.8319 ?        ?        16.08382 7.349587 ? ? 
1 1 1 19  32  6  o 32.73073 6.561330  263.1895       75.24941 277.2064       
213.1532 261.1939       80.42801 31.44230 11.85298 34.01916 5.631250 -2.576866 
13.12266 
1 1 1 19  32  7  o 36.81358 6.241340  407.4370       91.91135 184.9638       
202.3695 465.2541       103.1655 28.03086 11.25938 45.59631 5.389217 -17.56545 
12.48268 
1 1 1 19  32  8  o 30.43969 7.081796  141.0574       95.15009 482.8567       
210.5520 53.34165       106.6628 41.27476 11.64538 19.60462 8.061789 21.67014 
14.16359 
1 1 1 19  32  9  o 34.88115 7.232382  309.6440       99.89559 343.1261       
220.0602 300.9536       112.1126 34.65692 12.17445 35.10539 7.811032 
-0.4484711     14.46476 
1 1 1 19  32  10 o 29.16478 5.885920  235.9969       106.9427 -327.4384      
238.9423 377.1342       119.5892 18.62740 9.115001 39.70215 7.449360 -21.07475 
11.77184 
1 1 1 19  32  11 o 33.02467 6.469962  319.0293       102.2718 43.63822       
234.4835 383.7252       113.6517 25.07479 11.12625 40.97455 6.606673 -15.89976 
12.93992 
1 1 1 19  32  12 o 27.81918 6.848344  197.9291       96.47801 60.20128       
220.2278 230.6389       107.3248 25.05477 10.97687 30.58358 8.191928 -5.528807 
13.69669 
1 1 1 19  32  13 o 21.33889 6.494405  43.93057       100.2972 -72.81232      
204.5566 80.87948       115.0798 21.17666 9.783059 21.50112 8.544060 
-0.3244591     12.98881 
1 1 1 19  32  14 o 32.47186 7.503517  255.9200       105.7466 329.2745       
216.2596 232.8694       121.2280 34.46636 12.07253 30.47737 8.914322 3.988989 
15.00703 
1 1 1 19  32  15 o 40.24549 6.868738  469.8123       112.5315 265.8431       
227.9198 535.5624       129.4041 31.88176 12.18652 48.60923 6.340891 -16.72746 
13.73748 
1 1 1 19  32  16 o 43.30278 7.038982  522.2315       119.0121 376.5509       
228.1911 576.6643       139.4853 36.34006 12.42986 50.26550 6.609664 -13.92544 
14.07796 
1 1 1 19  32  17 o 16.56446 5.663419  -177.3697      104.9595 -122.4796      
194.0654 -200.0643      124.7851 19.55608 9.184506 13.57284 6.628884 5.983245 
11.32684 
1 1 1 19  32  18 o 28.27855 7.622299  178.7711       110.4442 221.1252       
237.5363 167.0893       124.7488 30.22812 12.17505 26.32897 9.174194 3.899158 
15.24460 
1 1 1 19  32  19 o 20.97803 6.454666  29.05033       105.4492 -132.3932      
210.8335 82.90897       121.7747 20.15899 9.497966 21.79709 8.742970 -1.638102 
12.90933 
1 1 1 19  32  20 o 39.73042 7.031810  480.2610       119.8854 226.8080       
251.6250 554.6901       136.3567 30.33455 12.41277 49.12628 6.611253 -18.79174 
14.06362 
1 1 1 19  32  21 o 28.24068 7.579142  130.8375       107.9483 379.5260       
231.4136 61.67373       122.0395 35.73654 12.49111 20.74482 8.587526 14.99172 
15.15828 
1 1 1 19  32  22 o 24.42341 7.267515  59.46206       110.3958 241.9133       
225.7342 2.107144       126.5637 30.21897 11.97959 18.62786 8.231434 11.59111 
14.53503 
1 1 1 19  32  23 o 33.93390 8.389841  281.5686       149.8216 563.7303       
254.1626 131.3141       185.4711 42.35943 13.02821 25.50837 10.57467 16.85106 
16.77968 
1 1 1 19  32  24 o 30.81554 7.773053  278.8740       142.0691 49.53337       
268.6828 367.8800       167.3821 25.35155 11.52728 36.27953 10.43088 -10.92798 
15.54611 
1 1 1 19  32  25 o 24.01637 7.357851  89.07045       137.6479 -1.833347      
237.3554 135.1341       168.9612 23.14290 10.63024 24.88984 10.17594 -1.746944 
14.71570 
1 1 1 19  32  26 o 24.06773 7.208466  96.45850       138.4027 -166.8684      
258.7078 202.0403       163.8160 20.80882 10.02106 27.32664 10.36466 -6.517820 
14.41693 
1 1 1 19  32  27 o 24.33552 7.375797  124.5551       133.5259 -35.77530      
282.7804 170.5603       151.4763 23.18859 10.94715 25.48245 9.887846 -2.293867 
14.75159 
1 1 1 19  32  28 o 21.21550 7.137412  -75.02472      130.8837 205.7735       
291.5838 -145.8773      146.4684 27.00183 12.17322 15.42917 7.455427 11.57267 
14.27482 
1 1 1 19  32  29 o 29.08344 8.470490  188.1198       137.8267 654.8128       
311.5422 74.55175       153.6842 37.20183 14.23973 20.96504 9.177526 16.23679 
16.94098 
1 1 1 19  32  30 o 20.02623 6.656034  -3.240467      137.6377 -243.3674      
304.3233 58.50905       154.3233 19.81706 9.811102 20.23540 8.997412 
-0.4183388     13.31207 
1 1 1 19  33  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  33  1  o 29.22205 4.687381  209.4531       55.04660 261.0155       
90.03416 178.6730       69.56264 31.82296 6.931615 26.62114 6.311805 5.201820 
9.374763 
1 1 1 19  33  2  o 21.55498 5.383787  121.1287       69.78934 -37.31256      
140.0680 173.4525       80.49227 17.29482 8.030054 25.81514 7.173484 -8.520321 
10.76757 
1 1 1 19  33  3  o 24.44146 6.054961  161.9978       76.52854 102.8170       
151.2505 182.3620       88.72362 22.42282 9.436290 26.46010 7.589905 -4.037277 
12.10992 
1 1 1 19  33  4  o 17.83293 5.538036  22.32464       74.53860 -11.06133      
142.4120 34.92160       87.47772 18.56886 8.429616 17.09700 7.184773 1.471863 
11.07607 
1 1 1 19  33  5  o 28.18825 6.765301  198.2765       84.18615 257.4664       
180.3353 181.7827       95.19589 29.74862 10.96295 26.62788 7.930375 3.120745 
13.53060 
1 1 1 19  33  6  o 25.24179 6.959473  123.0918       101.7040 260.4083       
181.1902 59.92585       122.8895 30.15891 11.00104 20.32468 8.527255 9.834230 
13.91895 
1 1 1 19  33  7  o 34.95476 6.541721  333.4792       90.27054 282.1979       
198.5526 346.8409       101.3508 31.18916 11.50244 38.72035 6.234608 -7.531185 
13.08344 
1 1 1 19  33  8  o 26.27259 6.616982  179.5541       98.25610 40.34201       
187.3790 232.3493       115.3931 22.58480 9.993235 29.96037 8.676005 -7.375568 
13.23396 
1 1 1 19  33  9  o 36.73350 7.234384  323.4063       103.1227 490.6710       
210.4631 270.5626       118.2962 40.97878 11.66904 32.48822 8.554460 8.490562 
14.46877 
1 1 1 19  33  10 o 22.35828 6.843542  49.02470       97.93993 123.7358       
216.1699 29.72743       109.8627 26.10394 11.14465 18.61263 7.945635 7.491312 
13.68708 
1 1 1 19  33  11 f 20.10075 6.303403  15.11953       101.4051 -101.3021      
201.7937 54.45115       117.2901 20.08016 9.418866 20.12134 8.379530 
-0.4117775E-01 12.60681 
1 1 1 19  33  12 o 30.24075 7.437524  153.2117       97.76997 464.1956       
226.6173 82.08881       108.3749 39.45239 12.33611 21.02910 8.311892 18.42329 
14.87505 
1 1 1 19  33  13 o 27.62250 7.243739  187.7684       102.0359 144.0270       
229.8602 198.5029       113.8699 27.22496 11.55332 28.02003 8.741150 
-0.7950668     14.48748 
1 1 1 19  33  14 o 22.57043 6.964279  41.21115       101.4239 122.9837       
228.1530 21.07137       113.2270 26.59888 11.40561 18.54198 7.994792 8.056898 
13.92856 
1 1 1 19  33  15 o 25.69322 6.894458  155.8371       107.8548 -53.94065      
232.7305 213.2137       121.7141 22.50048 10.41005 28.88596 9.042404 -6.385481 
13.78892 
1 1 1 19  33  16 o 40.58764 7.498666  441.1205       117.5462 462.6867       
239.6461 434.2880       134.8870 39.03714 12.73802 42.13815 7.915977 -3.101006 
14.99733 
1 1 1 19  33  17 o 27.64048 7.624185  113.9967       116.1855 371.6575       
234.3813 30.05462       133.7792 35.23327 12.54533 20.04770 8.667617 15.18557 
15.24837 
1 1 1 19  33  18 o 24.75605 7.124199  123.4207       112.6996 93.60714       
201.6464 136.9639       135.9077 24.87939 10.69728 24.63271 9.411963 0.2466850 
14.24840 
1 1 1 19  33  19 o 21.92073 6.828588  47.48236       106.2025 -32.18520      
243.8686 66.12758       117.9774 23.20021 10.70413 20.64126 8.481746 2.558954 
13.65718 
1 1 1 19  33  20 o 42.20330 7.208677  545.7133       119.5090 340.3734       
261.6515 599.8439       134.3408 33.34826 12.98400 51.05834 6.267036 -17.71008 
14.41735 
1 1 1 19  33  21 o 64.38013 5.862742  940.7120       133.4731 1184.212       
285.9256 872.8658       150.9267 66.85874 10.18629 61.90151 5.807455 4.957230 
11.72548 
1 1 1 19  33  22 o 26.96840 7.824398  170.7689       127.9594 115.7936       
294.1664 183.5987       142.1084 27.19344 12.24508 26.74336 9.743861 0.4500790 
15.64880 
1 1 1 19  33  23 o 37.57600 8.546827  383.1952       139.2716 614.3696       
270.5779 299.8740       162.4426 42.69878 13.50237 32.45323 10.48233 10.24555 
17.09365 
1 1 1 19  33  24 o 24.87094 7.580438  120.2113       141.2439 31.88439       
264.7623 155.3485       166.9912 24.34493 11.20118 25.39694 10.21693 -1.052011 
15.16088 
1 1 1 19  33  25 o 31.68867 8.568985  306.2475       148.1954 405.0041       
278.2910 267.1573       175.0854 33.43673 13.28674 29.94060 10.82463 3.496128 
17.13797 
1 1 1 19  33  26 o 31.31339 8.757954  296.9925       147.0900 482.8062       
326.7776 249.7787       164.7206 33.80261 14.02616 28.82418 10.49161 4.978428 
17.51591 
1 1 1 19  33  27 o 22.62105 7.436304  1.950159       135.8034 275.1756       
296.9798 -70.28860      152.7044 28.04926 12.47632 17.19285 8.095429 10.85641 
14.87261 
1 1 1 19  33  28 o 24.48941 7.524447  163.6749       134.1157 124.8742       
291.3217 174.1099       151.0776 24.45432 11.44135 24.52450 9.775721 
-0.7018471E-01 15.04889 
1 1 1 19  33  29 o 25.75407 7.949356  188.8090       137.0469 333.2029       
316.6048 155.5154       152.0279 27.95278 12.63883 23.55535 9.645154 4.397430 
15.89871 
1 1 1 19  34  3  o 21.85881 5.994959  120.7570       72.67193 117.9069       
149.9751 121.6315       83.07660 22.15347 9.363160 21.56415 7.489284 0.5893192 
11.98992 
1 1 1 19  34  4  o 21.15887 6.128253  70.66685       75.32221 203.2036       
156.3935 30.63926       85.94695 25.89735 10.04742 16.42039 7.019352 9.476954 
12.25651 
1 1 1 19  34  5  o 18.99163 5.783617  50.44844       78.69086 42.71185       
145.0857 53.67284       93.66438 19.89724 8.800096 18.08603 7.507277 1.811213 
11.56723 
1 1 1 19  34  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 19  34  7  o 19.92944 6.211691  36.96342       82.87019 71.02589       
189.1270 28.86964       92.19160 22.77212 10.06258 17.08676 7.285944 5.685364 
12.42338 
1 1 1 19  34  8  o 24.70521 6.641721  155.4734       95.38742 68.96467       
187.3916 185.7277       110.8189 22.86458 10.07063 26.54584 8.662113 -3.681263 
13.28344 
1 1 1 19  34  9  o 19.63110 6.276066  -0.8650950     97.65800 41.73516       
191.6514 -15.80569      113.4984 22.38616 9.988079 16.87604 7.602255 5.510122 
12.55213 
1 1 1 19  34  10 o 21.20839 6.605556  44.35019       105.5441 11.02241       
206.5349 56.12973       122.7876 22.26901 10.12056 20.14777 8.491627 2.121244 
13.21111 
1 1 1 19  34  11 o 22.45787 6.657038  88.90541       101.3439 -13.85088      
212.0709 119.3164       115.3698 22.00240 10.08194 22.91333 8.695926 
-0.9109268     13.31408 
1 1 1 19  34  12 o 19.47549 6.280883  -0.4732460     97.05071 -79.64408      
221.3878 18.36048       107.9790 21.06326 9.877402 17.88772 7.761115 3.175549 
12.56177 
1 1 1 19  34  13 o 40.04591 6.792412  469.5126       109.4176 323.2918       
215.2183 520.4807       127.0644 32.76100 11.98578 47.33083 6.394417 -14.56983 
13.58482 
1 1 1 19  34  14 o 24.36466 7.147392  80.18224       101.3062 246.0234       
217.7489 34.36948       114.4467 29.78422 11.77886 18.94511 8.099335 10.83911 
14.29478 
1 1 1 19  34  15 o 25.08831 7.272029  112.6308       104.1940 220.8049       
224.0419 82.77747       117.6966 28.94280 11.75620 21.23382 8.562796 7.708977 
14.54406 
1 1 1 19  34  16 o 34.33926 7.736989  332.6253       117.4193 343.7052       
239.6898 329.1267       134.6876 33.29072 12.56346 35.38781 9.033466 -2.097092 
15.47398 
1 1 1 19  34  17 o 39.16411 7.847473  380.5445       118.6658 604.5187       
248.3461 314.2777       135.0847 43.90572 12.73236 34.42250 9.177057 9.483215 
15.69495 
1 1 1 19  34  18 o 21.84030 6.631761  46.73898       118.3017 -255.1636      
243.8560 139.6611       135.2881 19.27171 9.385584 24.40890 9.371862 -5.137190 
13.26352 
1 1 1 19  34  19 o 30.36780 7.383717  272.3005       118.4852 122.4309       
248.4649 316.4127       134.7994 26.28210 11.58387 34.45349 9.159201 -8.171383 
14.76743 
1 1 1 19  34  20 o 39.14222 7.658795  361.7628       114.8157 660.3000       
241.5438 274.6184       130.5018 46.36011 12.23146 31.92434 9.220626 14.43577 
15.31759 
1 1 1 19  34  21 o 31.49283 7.507087  290.5302       113.4112 249.2153       
236.9137 302.8123       129.1734 29.35844 12.03408 33.62722 8.978102 -4.268784 
15.01417 
1 1 1 19  34  22 o 29.79800 7.115442  281.8643       124.9772 -118.2096      
311.4760 358.6338       136.4422 23.02586 11.06595 36.57014 8.947783 -13.54428 
14.23088 
1 1 1 19  34  23 o 26.20961 7.876238  134.6330       134.1565 319.9098       
263.9751 70.11506       155.7732 30.77563 12.67358 21.64360 9.355252 9.132029 
15.75248 
1 1 1 19  34  24 o 20.71764 7.004801  -60.16569      149.6203 -88.68564      
307.1796 -51.29494      171.3160 22.67881 10.92111 18.75647 8.774865 3.922342 
14.00960 
1 1 1 19  34  25 o 21.21234 7.056548  -27.00905      141.3944 122.0720       
271.1248 -82.70208      165.7137 24.81845 11.38370 17.60623 8.342114 7.212214 
14.11310 
1 1 1 19  34  26 o 25.32553 7.590176  191.6946       140.6889 90.42912       
278.0052 226.5574       163.1185 23.83789 11.15876 26.81317 10.29199 -2.975285 
15.18035 
1 1 1 19  34  27 o 21.24009 6.995423  46.36155       135.5933 -119.1542      
332.8484 79.29462       148.4714 21.72794 10.66715 20.75223 9.052941 0.9757118 
13.99085 
1 1 1 19  35  5  o 19.49856 5.871956  71.98547       79.19892 43.79423       
156.3051 81.72337       91.86470 19.83848 8.929936 19.15863 7.627302 0.6798458 
11.74391 
1 1 1 19  35  6  o 21.07239 6.187468  96.22741       82.60886 126.4214       
158.7508 85.01535       96.73824 22.61568 9.599544 19.52911 7.809467 3.086571 
12.37494 
1 1 1 19  35  7  o 19.30670 5.344276  75.40015       73.64357 -179.1251      
164.9289 138.7841       82.30400 15.67682 7.649807 22.93658 7.464958 -7.259760 
10.68855 
1 1 1 19  35  8  o 19.86439 5.946803  66.28673       89.08320 -76.93275      
176.1625 115.4942       103.2589 18.14603 8.599399 21.58274 8.216338 -3.436710 
11.89361 
1 1 1 19  35  9  o 37.40491 6.442744  438.2257       101.5622 282.5401       
196.7221 494.8012       118.5886 29.32017 11.29065 45.48966 6.209424 -16.16949 
12.88549 
1 1 1 19  35  10 o 54.68155 6.069310  790.2048       108.9986 754.9078       
226.3189 800.8646       124.3733 50.06438 11.06293 59.29872 4.995776 -9.234337 
12.13862 
1 1 1 19  35  11 o 34.14210 7.159002  314.6446       100.4286 418.2347       
196.2285 277.8813       116.8987 36.13668 11.50587 32.14751 8.521749 3.989178 
14.31800 
1 1 1 19  35  12 o 34.55168 7.250912  291.9359       99.61515 504.4586       
206.9642 227.8569       113.6449 40.03833 11.62727 29.06503 8.666574 10.97331 
14.50182 
1 1 1 19  35  13 o 26.16467 6.974465  187.0036       104.9288 96.56976       
208.2977 217.7554       121.4660 24.06961 10.60782 28.25972 9.057974 -4.190117 
13.94893 
1 1 1 19  35  14 o 20.99749 6.601762  9.585295       96.24194 163.9047       
208.2165 -32.34249      108.5315 26.07837 11.02773 15.91661 7.261011 10.16176 
13.20352 
1 1 1 19  35  15 o 30.75153 5.905807  302.8201       105.9324 -180.9936      
248.9293 409.8117       117.0609 20.08070 9.705873 41.42235 6.731289 -21.34165 
11.81161 
1 1 1 19  35  16 o 23.09029 6.948575  101.1492       113.9375 6.934917       
230.4074 131.6452       131.0870 22.63537 10.42867 23.54522 9.185513 
-0.9098492     13.89715 
1 1 1 19  35  17 o 42.13262 7.276685  513.3021       119.9081 488.9489       
237.5970 521.6243       138.8931 37.90862 12.68345 46.35662 7.136578 -8.448002 
14.55337 
1 1 1 19  35  18 o 20.04734 6.686325  -72.28186      112.1070 110.4261       
249.5032 -118.4995      125.4877 25.25774 11.32932 14.83694 7.104518 10.42080 
13.37265 
1 1 1 19  35  19 o 23.81406 7.063612  123.8928       108.6112 62.23063       
246.4433 138.7564       120.9954 24.02253 10.95419 23.60560 8.921000 0.4169369 
14.12722 
1 1 1 19  35  20 o 26.60086 7.609180  164.4058       106.7942 298.0845       
257.0223 136.5110       117.4091 29.85917 12.41767 23.34254 8.797722 6.516628 
15.21836 
1 1 1 19  35  21 o 38.30772 8.004444  430.1563       120.9092 571.2192       
269.9728 394.7635       135.2294 38.38085 13.48442 38.23460 8.628719 0.1462440 
16.00889 
1 1 1 19  35  22 o 19.95287 6.612986  -16.99306      129.8275 -274.8484      
302.6061 41.17707       143.7274 20.09336 9.907993 19.81237 8.761163 0.2809925 
13.22597 
1 1 1 19  35  23 o 25.37169 7.129971  182.6015       135.2532 -157.5260      
273.4876 292.7231       155.6156 20.30696 9.898646 30.43641 10.26463 -10.12946 
14.25994 
1 1 1 19  35  24 o 34.27456 8.708110  382.1752       143.5002 680.5361       
285.5616 281.3775       165.9795 39.36258 13.86433 29.18654 10.54064 10.17605 
17.41622 
1 1 1 19  35  25 o 19.33400 6.552792  -91.01342      157.1463 -347.5363      
284.3493 21.78692       188.5577 18.32402 9.136052 20.34399 9.396215 -2.019972 
13.10558 
1 1 1 19  36  9  o 22.82668 6.585728  139.1209       97.39733 113.5779       
176.8961 150.2328       116.6749 22.42443 9.831080 23.22892 8.765677 
-0.8044891     13.17146 
1 1 1 19  36  10 o 17.09526 5.697291  -49.62622      97.30196 -12.50155      
175.1421 -66.20015      117.0231 19.15583 8.926904 15.03469 7.081448 4.121143 
11.39458 
1 1 1 19  36  11 o 30.79232 6.613873  317.4268       104.2337 157.5232       
198.0174 378.7153       122.5925 24.19353 10.50377 37.39111 8.040150 -13.19758 
13.22775 
1 1 1 19  36  12 o 21.86449 6.633047  95.95380       92.58253 131.6212       
212.4577 87.59310       102.8628 23.77957 10.56622 19.94942 8.021484 3.830156 
13.26609 
1 1 1 19  36  13 o 23.48714 6.835946  137.0221       98.33052 159.7872       
204.0523 130.1368       112.2197 24.56862 10.66457 22.40567 8.554976 2.162951 
13.67189 
1 1 1 19  36  14 o 17.24110 5.858954  -85.95516      100.0394 -19.68431      
208.9738 -105.6577      113.9441 20.45420 9.592630 14.02801 6.729846 6.426191 
11.71791 
1 1 1 19  36  15 o 19.33170 6.236825  25.24250       97.46120 -48.93173      
225.1849 42.33945       108.1115 20.47718 9.712841 18.18621 7.826407 2.290976 
12.47365 
1 1 1 19  36  16 f 22.01655 6.869520  -32.79213      104.5636 336.2335       
227.6460 -131.4678      117.7163 30.28648 12.02269 13.74661 6.649524 16.53988 
13.73904 
1 1 1 19  36  17 o 18.63109 6.153247  -16.78197      108.3718 -138.8550      
234.5127 16.36534       122.2027 19.35261 9.365453 17.90957 7.983615 1.443041 
12.30649 
1 1 1 19  36  18 o 21.55153 6.585666  91.62594       105.0734 26.34743       
207.4199 114.1601       121.8670 21.33033 9.852999 21.77273 8.740847 
-0.4424038     13.17133 
1 1 1 19  36  19 o 39.05995 8.016816  408.9629       118.9619 766.3491       
262.6103 316.6897       133.4384 45.28401 13.08025 32.83589 9.272778 12.44812 
16.03363 
1 1 1 19  36  20 o 18.17233 6.175234  -63.14550      115.6563 -120.2442      
254.7726 -48.32434      129.8018 20.03971 9.710801 16.30495 7.631146 3.734762 
12.35047 
1 1 1 19  36  21 o 22.46759 7.121622  19.78986       120.8609 324.0583       
241.5659 -81.80771      139.5882 28.90901 12.03152 16.02617 7.623162 12.88283 
14.24324 
1 1 1 19  36  22 o 27.29548 7.818796  269.4095       156.3320 16.90010       
324.2847 345.8612       178.4356 23.08286 11.14149 31.50810 10.97276 -8.425238 
15.63759 
1 1 1 19  36  23 o 23.54981 7.466719  135.7624       149.0893 75.97720       
287.7203 157.7074       174.3174 23.33034 11.02493 23.76928 10.07266 
-0.4389381     14.93344 
1 1 1 20  -21 0  o 19.06183 6.375329  -137.4174      134.7891 -317.5815      
175.1671 124.1194       211.0498 14.43508 7.193379 23.68858 10.52780 -9.253505 
12.75066 
1 1 1 20  -21 1  o 19.70212 6.421318  0.6284499      125.1515 67.15957       
171.7679 -74.65858      182.7215 21.14083 9.443470 18.26341 8.703688 2.877420 
12.84264 
1 1 1 20  -21 2  f 34.96282 8.354790  426.1174       152.0511 257.1374       
196.9361 675.5215       239.2542 27.27701 11.04470 42.64863 12.53892 -15.37162 
16.70958 
1 1 1 20  -21 3  o 24.05335 7.332414  159.4325       134.4740 119.5493       
183.5654 205.6260       197.5540 22.69052 9.980750 25.41618 10.74438 -2.725657 
14.66483 
1 1 1 20  -20 0  o 23.23670 6.883834  45.13705       122.1552 -114.0625      
161.8861 255.6388       186.1515 17.18566 8.190726 29.28774 11.06620 -12.10208 
13.76767 
1 1 1 20  -20 1  o 23.36059 7.077190  95.40208       124.8049 29.30489       
167.8419 177.1471       186.6550 20.75835 9.302106 25.96283 10.66852 -5.204483 
14.15438 
1 1 1 20  -20 2  o 36.82571 7.000503  396.3867       133.3427 123.8563       
184.9670 691.2695       192.4029 23.83875 10.24742 49.81268 9.540364 -25.97393 
14.00101 
1 1 1 20  -20 3  o 23.97580 7.230739  115.2218       129.7527 17.03542       
170.0195 252.1666       200.7917 20.07162 9.138043 27.87997 11.20850 -7.808352 
14.46148 
1 1 1 20  -20 4  o 24.64147 7.429980  168.3704       133.4289 178.3734       
163.3305 148.3012       231.3490 24.83262 10.05693 24.45031 10.93968 0.3823128 
14.85996 
1 1 1 20  -20 5  o 20.90182 6.723332  -1.797809      130.5892 -139.8914      
169.4723 200.0465       204.8897 16.43794 7.956075 25.36570 10.84037 -8.927757 
13.44666 
1 1 1 20  -20 6  o 26.40233 7.277132  175.0812       142.2197 426.4340       
195.3891 -108.1409      207.4064 34.32260 11.50183 18.48207 8.918207 15.84054 
14.55426 
1 1 1 20  -19 0  f 18.91689 6.274223  -152.8531      130.0100 -320.7518      
176.8664 44.51128       191.7591 15.06223 7.462507 22.77155 10.08833 -7.709322 
12.54845 
1 1 1 20  -19 1  o 22.09843 6.790036  39.64388       118.6286 -33.68638      
158.3218 133.5177       179.1312 19.11333 8.738464 25.08354 10.39507 -5.970207 
13.58007 
1 1 1 20  -19 2  o 27.35265 7.650478  183.0989       129.5514 117.0736       
168.6889 278.0359       202.2780 24.08337 10.04062 30.62192 11.54579 -6.538544 
15.30096 
1 1 1 20  -19 3  o 23.20349 7.093753  53.13350       124.1004 -32.77521      
154.9920 206.5934       207.1515 18.76178 8.606218 27.64521 11.27911 -8.883430 
14.18751 
1 1 1 20  -19 4  o 21.51920 6.850343  32.41093       127.0765 26.66506       
161.4651 41.76204       205.9834 20.52430 9.162301 22.51409 10.18632 -1.989790 
13.70069 
1 1 1 20  -19 5  o 23.27586 7.353027  54.66465       139.1844 -27.48250      
171.0004 215.9175       239.5823 19.29136 8.924542 27.26035 11.68848 -7.968998 
14.70605 
1 1 1 20  -19 6  o 23.51886 7.266934  75.74905       143.1742 -86.40742      
194.3404 268.2298       211.7336 18.76732 8.951593 28.27040 11.44999 -9.503084 
14.53387 
1 1 1 20  -19 7  o 18.92096 6.329041  -80.49646      133.2108 -188.7198      
177.4263 59.32456       201.6711 16.12631 7.882577 21.71561 9.904141 -5.589298 
12.65808 
1 1 1 20  -19 8  o 36.83614 8.039430  424.0029       154.7629 161.8241       
195.5440 863.5684       253.1964 24.08069 10.44612 49.59159 12.22327 -25.51090 
16.07886 
1 1 1 20  -18 0  o 26.50067 7.463918  151.7295       125.5671 103.3119       
171.2219 208.0699       184.7005 24.32067 10.12611 28.68067 10.96824 -4.360004 
14.92784 
1 1 1 20  -18 1  o 32.29391 7.852292  290.9190       127.9103 298.4313       
164.5215 279.4389       203.3803 32.97451 10.53905 31.61331 11.64313 1.361200 
15.70458 
1 1 1 20  -18 2  o 40.77234 8.233238  437.8664       141.1561 335.6905       
170.4877 660.5833       251.7070 34.66341 10.67212 46.88126 12.53997 -12.21786 
16.46648 
1 1 1 20  -18 3  o 23.67562 7.203004  82.80816       128.4974 98.52647       
166.5717 59.70676       201.9378 23.69000 9.932961 23.66125 10.43405 
0.2874756E-01  14.40601 
1 1 1 20  -18 4  o 32.27973 7.304642  287.5449       134.0829 472.5340       
178.8024 49.85501       202.6776 41.29372 10.32940 23.26574 10.33125 18.02798 
14.60928 
1 1 1 20  -18 5  o 39.33588 7.937359  470.1870       142.7704 559.2436       
192.0353 360.1316       213.4783 44.73329 10.41105 33.93848 11.98402 10.79481 
15.87472 
1 1 1 20  -18 6  o 39.43526 8.563178  503.1059       156.5774 528.2006       
204.5291 467.5753       243.3684 41.84931 11.35363 37.02122 12.82214 4.828087 
17.12636 
1 1 1 20  -18 7  o 36.82056 8.126630  440.6102       144.2560 519.4318       
195.1896 345.7381       214.1428 41.37683 11.03147 32.26429 11.93629 9.112534 
16.25326 
1 1 1 20  -18 8  o 30.83775 8.083857  322.3781       140.3950 349.4987       
189.5473 289.4157       208.9673 32.34265 11.30487 29.33285 11.55833 3.009804 
16.16771 
1 1 1 20  -18 9  o 22.40774 7.142319  87.60462       139.8604 113.9230       
170.6887 33.83123       243.9828 22.59126 9.779250 22.22421 10.41235 0.3670540 
14.28464 
1 1 1 20  -18 10 o 20.64422 6.675076  37.69604       131.7994 93.32558       
171.5116 -42.53094      205.9686 21.72414 9.593184 19.56430 9.284253 2.159838 
13.35015 
1 1 1 20  -17 0  o 55.32599 6.280468  768.0918       136.6024 937.6953       
186.9576 573.8459       200.0791 63.81547 6.978117 46.83651 10.44428 16.97897 
12.56094 
1 1 1 20  -17 1  f 70.23267 5.381217  1175.284       150.9664 1229.719       
190.6011 1083.643       247.3033 73.73468 6.157077 66.73065 8.827251 7.004028 
10.76243 
1 1 1 20  -17 2  o 71.02148 5.792281  1241.799       162.3806 1345.638       
205.5342 1069.350       264.8719 76.83353 6.371687 65.20944 9.674898 11.62408 
11.58456 
1 1 1 20  -17 3  o 21.25235 6.924637  -58.56492      133.0046 -101.5565      
161.7939 31.04590       233.5880 18.02862 8.452473 24.47608 10.97078 -6.447454 
13.84927 
1 1 1 20  -17 4  o 25.16079 7.272310  53.93385       130.1969 -99.98090      
167.9943 285.4196       206.0235 18.35846 8.608155 31.96312 11.72372 -13.60466 
14.54462 
1 1 1 20  -17 5  o 23.71854 7.283304  51.21122       137.6093 -39.11479      
188.5484 154.1620       201.2942 20.73112 9.502321 26.70596 11.04047 -5.974848 
14.56661 
1 1 1 20  -17 6  o 81.02188 5.589865  1595.100       184.4084 1594.253       
235.5158 1596.443       296.4652 82.43198 6.805270 79.61179 8.869873 2.820190 
11.17973 
1 1 1 20  -17 7  o 35.72655 8.152106  386.6292       139.5340 403.2495       
178.6704 360.6449       223.4032 37.46664 10.77840 33.98648 12.23329 3.480160 
16.30421 
1 1 1 20  -17 8  o 38.78822 7.280671  462.9100       135.5090 627.6899       
177.1700 230.6300       210.3507 48.96367 8.951381 28.61278 11.48501 20.35090 
14.56134 
1 1 1 20  -17 9  o 23.33831 7.313940  74.52834       146.2060 144.0427       
186.6597 -35.82311      235.1811 24.91143 10.48316 21.76519 10.20187 3.146240 
14.62788 
1 1 1 20  -17 10 o 39.41047 8.083740  499.2110       140.0077 465.7899       
182.7894 546.6501       217.7755 38.63001 10.83480 40.19092 11.99977 -1.560905 
16.16748 
1 1 1 20  -17 11 o 22.64872 7.038632  45.40717       131.5556 -101.0443      
167.8482 278.6651       211.8303 17.15838 8.216233 28.13906 11.43079 -10.98068 
14.07726 
1 1 1 20  -17 12 o 26.35373 7.843627  231.2948       168.4972 -55.22065      
307.8086 353.8865       201.3433 21.88524 10.62654 30.82223 11.53978 -8.936989 
15.68725 
1 1 1 20  -16 0  o 63.77856 5.447977  932.0527       139.5678 909.3433       
173.4929 973.7039       234.9590 63.53989 6.503638 64.01722 8.742109 
-0.4773254     10.89595 
1 1 1 20  -16 1  o 45.49310 11.57059  555.1766       221.5727 555.1766       
221.5727 0.000000       0.000000 45.49310 11.57059 ?        ?        ? ? 
1 1 1 20  -16 2  o 34.49361 8.072023  310.8272       133.5593 280.0380       
170.9353 359.0857       214.0029 32.81291 10.75803 36.17431 12.03724 -3.361401 
16.14405 
1 1 1 20  -16 3  o 60.29472 5.846782  866.4714       143.9069 883.0027       
185.3807 841.4033       228.2820 61.91496 7.131651 58.67448 9.267091 3.240486 
11.69356 
1 1 1 20  -16 4  o 26.30917 7.235583  126.8858       129.0989 255.8624       
167.3742 -62.54549      202.8425 31.31582 10.64538 21.30251 9.802578 10.01332 
14.47117 
1 1 1 20  -16 5  f 34.07362 8.146457  320.0597       137.5279 312.6434       
180.3552 330.3630       212.5814 33.87643 11.05048 34.27080 11.97271 
-0.3943672     16.29291 
1 1 1 20  -16 6  o 22.27300 6.987648  9.789709       133.9327 88.39765       
176.9402 -95.67625      204.9507 24.07279 10.17203 20.47320 9.583248 3.599586 
13.97530 
1 1 1 20  -16 7  o 27.73413 7.739874  174.5430       139.2990 272.3717       
192.0496 65.93805       202.3509 31.37189 11.33743 24.09639 10.53970 7.275499 
15.47975 
1 1 1 20  -16 8  o 29.24849 7.795452  200.6543       135.2759 82.32745       
177.3551 365.2526       209.1774 23.53217 10.07217 34.96481 11.90075 -11.43264 
15.59090 
1 1 1 20  -16 9  o 29.51035 7.618709  241.8645       131.8419 329.5542       
170.5328 111.5776       207.8664 33.91019 10.71894 25.11051 10.82974 8.799685 
15.23742 
1 1 1 20  -16 10 o 40.39562 7.099057  500.7629       136.3354 665.1995       
174.6429 244.1950       218.1488 51.66316 8.051762 29.12808 11.69425 22.53508 
14.19811 
1 1 1 20  -16 11 o 54.15220 7.648235  845.7859       165.0450 868.5790       
269.7058 832.1407       208.6797 51.99223 12.49284 56.31216 8.826715 -4.319935 
15.29647 
1 1 1 20  -16 12 o 26.62709 8.118952  176.6639       143.4848 361.6013       
295.4889 119.6025       164.1346 30.24180 12.97429 23.01238 9.764091 7.229416 
16.23790 
1 1 1 20  -16 13 o 36.43130 8.933592  471.6435       150.0146 691.6054       
318.9566 409.1649       169.9899 37.38281 14.38057 35.47978 10.60356 1.903030 
17.86718 
1 1 1 20  -15 0  o 65.22706 4.583066  957.8055       124.1022 1060.318       
170.6015 842.5919       180.8615 69.31920 5.862062 61.13492 7.046573 8.184280 
9.166132 
1 1 1 20  -15 1  o 38.31156 6.874352  370.6834       112.5404 443.7378       
153.9021 286.7257       164.9878 42.87959 8.850941 33.74353 10.52082 9.136066 
13.74870 
1 1 1 20  -15 2  f 37.16727 8.891566  336.5272       164.9484 539.4553       
270.0431 215.7522       208.3294 43.74254 13.42406 30.59200 11.66338 13.15054 
17.78313 
1 1 1 20  -15 3  o 24.20234 10.03848  82.74683       167.2753 82.74683       
167.2753 0.000000       0.000000 24.20234 10.03848 ?        ?        ? ? 
1 1 1 20  -15 4  o 38.26307 7.569466  394.6570       136.1575 528.4626       
181.7336 223.4422       205.5742 45.94971 9.719518 30.57644 11.60682 15.37328 
15.13893 
1 1 1 20  -15 5  o 41.53184 7.923068  454.9268       140.0584 416.1536       
183.9165 508.4556       216.0970 39.75494 10.75779 43.30873 11.63486 -3.553795 
15.84614 
1 1 1 20  -15 6  o 20.26918 6.663033  -97.91548      138.1527 -128.3580      
192.5928 -65.64636      198.2864 19.44843 9.138209 21.08994 9.699338 -1.641506 
13.32607 
1 1 1 20  -15 7  o 41.74799 7.693947  480.2636       136.3050 522.8940       
174.7919 414.1129       217.7351 45.37455 9.483491 38.12144 12.11820 7.253105 
15.38789 
1 1 1 20  -15 8  o 43.28813 7.715683  512.0040       139.2524 521.0840       
182.5711 499.3741       215.3218 44.63014 9.994082 41.94613 11.75778 2.684017 
15.43137 
1 1 1 20  -15 9  o 44.58840 7.631553  512.0826       138.3122 400.3452       
172.6618 712.1950       231.0650 38.31107 10.44868 50.86573 11.12599 -12.55467 
15.26311 
1 1 1 20  -15 10 o 24.47201 7.449569  45.08693       155.3549 -219.2491      
245.6796 221.2105       200.5394 19.97715 9.653493 28.96686 11.34876 -8.989712 
14.89914 
1 1 1 20  -15 11 o 42.17015 8.451838  510.8088       147.6905 633.3031       
267.7298 457.2279       177.0694 43.85657 13.34785 40.48372 10.37155 3.372849 
16.90368 
1 1 1 20  -15 12 o 32.09724 8.702761  281.4367       144.4355 493.4550       
298.3219 216.5203       165.0730 36.26921 13.91935 27.92526 10.45007 8.343950 
17.40552 
1 1 1 20  -15 13 o 29.69358 8.095285  286.9946       145.8739 179.1085       
292.8763 322.5887       168.2251 26.96156 12.17515 32.42561 10.67240 -5.464058 
16.19057 
1 1 1 20  -15 14 f 33.82233 9.076895  468.3890       181.0852 433.8953       
308.6340 486.4975       223.6223 31.34530 13.34736 36.29937 12.30480 -4.954069 
18.15379 
1 1 1 20  -15 15 o 23.41284 7.622694  91.05045       183.4366 -135.1543      
304.1671 220.3480       229.9622 20.94588 10.25759 25.87981 11.27846 -4.933929 
15.24539 
1 1 1 20  -14 0  o 28.26266 6.941710  155.5405       107.0056 51.69742       
143.1104 287.2093       161.1477 22.26518 9.263145 34.26014 10.34135 -11.99496 
13.88342 
1 1 1 20  -14 1  o 19.03720 6.167628  -70.98701      109.6010 -49.37488      
140.3592 -104.7542      175.4442 18.58500 8.408597 19.48941 9.025189 
-0.9044151     12.33526 
1 1 1 20  -14 2  o 25.72416 7.379981  105.9379       119.1036 116.6394       
143.5447 82.28947       213.3856 24.97318 9.638839 26.47515 11.17807 -1.501970 
14.75996 
1 1 1 20  -14 3  o 108.1145 5.139162  2611.285       225.1524 2536.800       
282.4412 2741.135       372.9165 106.9680 6.289196 109.2609 8.129574 -2.292900 
10.27832 
1 1 1 20  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -14 5  f 53.71059 6.802988  687.3474       144.7074 649.6400       
181.2445 753.6483       240.3321 52.93043 8.156059 54.49075 10.89042 -1.560322 
13.60598 
1 1 1 20  -14 6  f 52.69809 7.138052  684.3578       149.8768 638.0132       
193.6173 753.6470       236.7430 51.00826 9.393198 54.38792 10.75058 -3.379662 
14.27610 
1 1 1 20  -14 7  o 29.88340 7.525581  151.1757       131.4907 -18.07975      
169.0171 410.6769       209.2806 20.89328 9.349294 38.87353 11.79526 -17.98025 
15.05116 
1 1 1 20  -14 8  o 61.06353 5.945131  870.2885       147.7154 819.1245       
185.4765 959.0198       244.2559 59.44323 7.432034 62.68384 9.281338 -3.240608 
11.89026 
1 1 1 20  -14 9  o 41.45002 8.571291  405.7090       144.4792 731.7475       
287.2260 295.2693       167.1676 49.58081 13.45605 33.31924 10.62086 16.26157 
17.14258 
1 1 1 20  -14 10 o 27.30735 7.864644  159.8034       135.7203 151.6905       
245.7990 163.3616       162.7852 28.00205 11.91721 26.61264 10.26599 1.389408 
15.72929 
1 1 1 20  -14 11 o 24.33206 7.502034  2.139095       134.9366 256.3329       
249.5304 -102.9130      160.4144 30.84755 12.45626 17.81657 8.364427 13.03098 
15.00407 
1 1 1 20  -14 12 o 42.03893 8.918935  487.1844       150.1077 704.7276       
314.6221 423.0713       170.8008 44.84314 14.59525 39.23473 10.25516 5.608402 
17.83787 
1 1 1 20  -14 13 o 35.89687 8.897696  408.4605       157.9951 436.9711       
308.8508 398.3551       183.8758 34.95357 13.96336 36.84017 11.03180 -1.886600 
17.79539 
1 1 1 20  -14 14 o 27.27035 8.473619  172.7649       179.3817 258.6914       
302.1878 126.0124       222.9029 29.33943 12.85610 25.20126 11.04217 4.138170 
16.94724 
1 1 1 20  -14 15 o 26.48838 8.262632  177.3801       165.2559 303.9774       
305.6326 125.0773       196.4490 29.06362 12.82379 23.91313 10.42281 5.150486 
16.52526 
1 1 1 20  -14 16 o 28.29589 8.528058  286.8458       167.2641 386.2512       
314.3175 247.5749       197.5600 29.49698 13.01119 27.09479 11.02815 2.402193 
17.05612 
1 1 1 20  -13 0  o 83.47793 4.409391  1530.428       153.3312 1580.893       
206.7505 1468.747       228.5743 85.25290 5.776417 81.70296 6.663628 3.549942 
8.818783 
1 1 1 20  -13 1  o 23.48144 6.932301  48.61481       117.1953 119.5706       
139.9305 -118.0962      214.4868 25.26090 9.579830 21.70198 10.02268 3.558922 
13.86460 
1 1 1 20  -13 2  o 24.97555 7.288782  35.76064       118.8296 -35.35321      
143.3432 192.0067       212.4733 19.32183 8.628972 30.62927 11.74931 -11.30744 
14.57756 
1 1 1 20  -13 3  o 54.87962 6.972535  801.1660       138.2350 940.5929       
167.8815 507.5889       243.6075 65.47863 6.106951 44.28061 12.53675 21.19802 
13.94507 
1 1 1 20  -13 4  o 35.70330 7.642279  316.2995       123.7256 326.5315       
162.1169 302.0264       191.4731 36.45532 10.19691 34.95129 11.38599 1.504028 
15.28456 
1 1 1 20  -13 5  o 62.67899 6.758904  978.2115       162.2425 1167.228       
212.9496 716.6910       250.4842 72.21508 7.023764 53.14290 11.54980 19.07218 
13.51781 
1 1 1 20  -13 6  o 52.11212 8.244080  625.4390       180.3681 625.4390       
180.3681 0.000000       0.000000 52.11212 8.244080 ?        ?        ? ? 
1 1 1 20  -13 7  o 21.15474 6.664494  -65.73683      130.8919 83.24858       
168.3654 -293.3522      208.1046 24.42357 10.09704 17.88591 8.701246 6.537659 
13.32899 
1 1 1 20  -13 8  f 22.57843 7.271204  -127.0473      133.1728 156.3880       
261.6126 -226.1817      154.7191 29.67360 12.44532 15.48325 7.523013 14.19034 
14.54241 
1 1 1 20  -13 9  o 43.41090 8.248994  367.2609       144.7455 919.1667       
300.4496 200.4500       165.1777 57.84273 12.71684 28.97906 10.51026 28.86366 
16.49799 
1 1 1 20  -13 10 o 46.59516 8.075743  565.1616       146.7208 640.6155       
270.7091 533.7781       174.5872 46.95113 13.19097 46.23918 9.320345 0.7119522 
16.15149 
1 1 1 20  -13 11 o 41.62876 8.837527  476.1568       154.9930 575.5152       
296.3161 438.7335       181.8544 42.69757 14.16428 40.55994 10.57264 2.137634 
17.67505 
1 1 1 20  -13 12 o 33.73788 8.143465  321.0482       169.1201 -28.86494      
287.2130 506.7622       209.2408 25.00350 11.56674 42.47226 11.46624 -17.46876 
16.28693 
1 1 1 20  -13 13 o 29.86356 8.716097  183.9103       164.3271 403.3291       
301.5675 91.24370       195.9788 35.19715 13.88000 24.52996 10.54642 10.66719 
17.43219 
1 1 1 20  -13 14 o 30.64297 9.048682  213.6494       170.4681 468.3640       
344.7058 131.1893       196.1299 35.79450 14.56787 25.49143 10.73740 10.30307 
18.09736 
1 1 1 20  -13 15 o 24.76236 7.671338  92.12982       162.5313 -194.7610      
312.0583 198.9253       190.3943 22.19262 10.75192 27.33209 10.94504 -5.139473 
15.34268 
1 1 1 20  -13 16 o 44.86591 9.083075  730.4344       185.9973 627.7753       
320.3669 782.6316       228.4400 38.39162 14.51406 51.34020 10.92479 -12.94857 
18.16615 
1 1 1 20  -13 17 o 27.33584 8.827456  144.6543       181.5715 648.5792       
394.8027 9.476385       204.4797 33.83215 14.76065 20.83952 9.686033 12.99263 
17.65491 
1 1 1 20  -13 18 o 22.34089 7.656570  3.748621       179.6210 98.77620       
423.4146 -17.10580      198.3536 24.91257 12.17726 19.76922 9.284754 5.143349 
15.31314 
1 1 1 20  -12 0  o 87.02088 5.062434  1624.435       170.4187 1563.248       
203.2052 1769.502       312.8865 85.04328 5.691359 88.99848 8.373852 -3.955200 
10.12487 
1 1 1 20  -12 1  o 63.70985 5.433606  856.9266       131.7001 802.1101       
154.3369 1003.768       252.6027 60.77774 6.048480 66.64197 9.028410 -5.864223 
10.86721 
1 1 1 20  -12 2  o 38.43742 7.767211  327.6338       124.1738 269.4453       
149.0367 459.7172       224.5427 33.78762 9.884489 43.08723 11.98395 -9.299614 
15.53442 
1 1 1 20  -12 3  o 78.87585 5.210529  1373.082       162.8714 1362.445       
199.9181 1394.075       280.8631 79.11285 6.019025 78.63885 8.507043 0.4739990 
10.42106 
1 1 1 20  -12 4  o 59.00507 5.242717  751.9445       127.8224 650.5685       
163.9975 908.8449       204.0242 54.17356 7.210592 63.83658 7.612602 -9.663021 
10.48543 
1 1 1 20  -12 5  o 36.17014 7.521172  318.8112       120.7499 319.7228       
157.7764 317.5224       187.6028 36.34946 10.02122 35.99081 11.21817 0.3586502 
15.04234 
1 1 1 20  -12 6  o 61.44001 5.627696  866.9196       142.2725 992.7527       
194.5250 722.1889       208.6210 66.84413 6.931596 56.03588 8.867740 10.80825 
11.25539 
1 1 1 20  -12 7  o 56.02886 7.800418  711.1505       183.4884 0.000000       
0.000000 711.1505       183.4884 ?        ?        56.02886 7.800418 ? ? 
1 1 1 20  -12 8  o 22.16034 7.238521  -74.79392      134.2875 -30.29619      
272.2241 -89.10448      154.3782 25.90549 11.71602 18.41518 8.504100 7.490305 
14.47704 
1 1 1 20  -12 9  o 68.41664 7.113710  1090.532       169.8715 1239.273       
346.9041 1043.617       194.8285 68.68220 12.49213 68.15109 6.809272 0.5311050 
14.22742 
1 1 1 20  -12 10 o 39.64862 8.695539  398.5096       149.1122 520.5402       
275.0684 347.7259       177.4469 42.63528 13.62738 36.66195 10.80482 5.973335 
17.39108 
1 1 1 20  -12 11 o 40.36289 8.929361  447.4704       168.1960 558.4858       
256.3114 363.5096       222.9025 44.31559 12.96200 36.41019 12.28498 7.905403 
17.85872 
1 1 1 20  -12 12 o 28.03408 8.341156  47.58479       159.9680 376.2169       
294.1209 -90.46490      190.6288 35.93871 13.81275 20.12946 9.354548 15.80925 
16.68231 
1 1 1 20  -12 13 o 32.55436 8.676692  292.0020       159.3280 238.2525       
290.7833 315.0621       190.4638 31.28952 13.12183 33.81921 11.35594 -2.529686 
17.35338 
1 1 1 20  -12 14 f 73.89110 7.732361  1400.008       204.7678 1582.693       
396.6365 1333.625       239.0942 72.90171 13.46535 74.88049 7.605389 -1.978783 
15.46472 
1 1 1 20  -12 15 o 31.25619 8.866560  260.0032       164.8276 377.7161       
303.7314 210.8665       196.2368 34.03107 13.74229 28.48131 11.20772 5.549755 
17.73312 
1 1 1 20  -12 16 o 24.05191 7.816144  21.71438       166.9359 84.43077       
307.3178 -4.537367      198.8275 26.50267 12.14094 21.60116 9.847131 4.901514 
15.63229 
1 1 1 20  -12 17 o 26.44543 8.296503  158.9293       172.4658 94.20705       
362.7386 177.8337       196.0417 26.67934 12.53735 26.21152 10.86935 0.4678116 
16.59301 
1 1 1 20  -12 18 o 36.08878 8.439078  550.7585       187.3208 154.5985       
409.2481 655.7541       210.6866 26.51216 12.72754 45.66540 11.08521 -19.15324 
16.87816 
1 1 1 20  -12 19 o 23.42566 7.885479  75.10609       181.8362 113.0298       
427.8202 66.74466       200.8841 25.15083 12.28145 21.70049 9.893896 3.450342 
15.77096 
1 1 1 20  -11 0  o 43.06650 7.130360  406.0627       116.0104 368.9762       
135.7536 506.4774       223.3790 40.19662 8.325004 45.93638 11.57853 -5.739761 
14.26072 
1 1 1 20  -11 1  o 92.85197 5.167557  1880.091       169.9107 1874.760       
194.1762 1897.513       351.0097 93.59904 4.941350 92.10491 9.077315 1.494133 
10.33511 
1 1 1 20  -11 2  o 23.91816 7.149222  25.26142       111.9138 -3.783069      
131.5030 101.5507       213.1256 19.79951 8.577374 28.03681 11.44002 -8.237301 
14.29844 
1 1 1 20  -11 3  o 64.88694 4.625237  874.7200       118.7814 798.7488       
143.0964 1043.054       213.0052 60.87056 5.599411 68.90331 7.363279 -8.032749 
9.250475 
1 1 1 20  -11 4  o 64.54652 4.026468  878.8145       105.1276 824.1364       
130.4289 980.2072       177.6115 61.95619 5.014300 67.13686 6.301314 -5.180672 
8.052936 
1 1 1 20  -11 5  o 40.73341 6.814545  385.3878       109.0767 373.6834       
132.2753 410.2593       192.8212 40.32919 8.097452 41.13764 10.96282 
-0.8084450     13.62909 
1 1 1 20  -11 6  o 40.45951 7.049915  406.1634       120.2493 299.5654       
187.4444 480.7153       156.7570 35.32775 11.24510 45.59128 8.506058 -10.26353 
14.09983 
1 1 1 20  -11 7  o 22.25696 6.831907  -40.80710      126.1512 108.8292       
181.0026 -182.1507      175.9156 26.48332 10.64399 18.03060 8.567692 8.452724 
13.66381 
1 1 1 20  -11 8  o 27.94629 8.116748  97.22749       137.6397 207.3000       
265.1328 56.61870       161.0401 32.40942 12.94041 23.48317 9.801639 8.926258 
16.23350 
1 1 1 20  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -11 10 f 44.51534 8.626447  509.2601       160.8004 571.8800       
271.0569 475.2550       199.7448 45.77974 13.31020 43.25093 10.97729 2.528805 
17.25289 
1 1 1 20  -11 11 o 50.40805 7.896943  648.5286       159.4732 668.5893       
257.4631 636.0412       203.1316 50.02727 12.32286 50.78884 9.878971 
-0.7615738     15.79389 
1 1 1 20  -11 12 o 27.29790 8.236860  22.08444       158.6137 307.2676       
287.6503 -102.5106      190.1311 34.52190 13.57426 20.07391 9.333969 14.44799 
16.47372 
1 1 1 20  -11 13 o 36.81085 8.452073  394.5400       162.4160 182.0483       
292.9951 488.7989       195.1419 30.53937 13.00451 43.08233 10.79967 -12.54296 
16.90415 
1 1 1 20  -11 14 o 18.64322 6.460886  -283.8625      157.7124 -460.3204      
298.5313 -215.5478      185.7491 19.87822 9.811282 17.40822 8.408979 2.469994 
12.92177 
1 1 1 20  -11 15 o 32.26030 9.010010  220.0034       170.8562 514.6182       
312.3176 94.17622       204.1063 39.36946 14.43517 25.15115 10.78642 14.21831 
18.02002 
1 1 1 20  -11 16 o 32.31165 8.929098  247.5098       164.5714 513.2468       
302.6544 135.9536       196.0957 38.69308 14.20787 25.93022 10.81904 12.76287 
17.85820 
1 1 1 20  -11 17 o 34.21292 9.223916  389.4551       183.3944 289.2917       
392.0265 417.5168       207.5000 31.44522 14.14907 36.98062 11.83750 -5.535400 
18.44783 
1 1 1 20  -11 18 o 38.36227 9.551715  529.0177       185.0553 571.8604       
375.1599 515.2415       212.7376 36.20856 15.02685 40.51599 11.79554 -4.307430 
19.10343 
1 1 1 20  -11 19 o 48.21331 10.40243  865.5554       204.8752 1275.579       
466.7936 767.7266       228.0099 46.60950 17.54699 49.81713 11.17788 -3.207634 
20.80485 
1 1 1 20  -11 20 o 35.20245 9.167315  546.2391       185.6450 520.0935       
360.7376 555.6580       216.5172 31.25667 13.84349 39.14822 12.02150 -7.891542 
18.33463 
1 1 1 20  -10 0  o 23.25946 6.665025  58.11441       103.0650 105.0192       
132.5194 -13.68869      163.9617 24.70838 9.336640 21.81054 9.514061 2.897839 
13.33005 
1 1 1 20  -10 1  o 36.34645 6.919867  299.0301       106.7175 262.9121       
138.6469 351.5341       167.1646 33.83391 9.418991 38.85899 10.14006 -5.025085 
13.83973 
1 1 1 20  -10 2  o 43.42858 6.263034  468.6930       109.8440 617.8038       
142.5528 250.7653       172.3366 53.49702 6.346983 33.36014 10.79899 20.13689 
12.52607 
1 1 1 20  -10 3  o 21.65795 6.478284  19.72985       102.6642 68.16612       
129.7168 -61.47812      167.9617 22.72158 9.057913 20.59432 9.264279 2.127258 
12.95657 
1 1 1 20  -10 4  o 119.5864 4.480815  3012.027       213.9166 2840.119       
261.3821 3360.720       372.2617 115.0380 5.411973 124.1347 7.142925 -9.096733 
8.961631 
1 1 1 20  -10 5  o 27.81687 7.499769  132.6333       122.3402 186.9662       
181.1749 87.09398       165.8671 30.26078 11.00426 25.37295 10.19276 4.887829 
14.99954 
1 1 1 20  -10 6  o 34.08669 7.308923  250.5675       125.1459 426.3321       
181.4533 91.11617       172.8276 42.38462 10.28661 25.78876 10.38591 16.59586 
14.61785 
1 1 1 20  -10 7  o 42.25725 7.157948  419.1010       126.4512 537.3824       
187.6040 320.6227       171.1804 47.86099 9.674853 36.65351 10.55188 11.20749 
14.31590 
1 1 1 20  -10 8  o 25.11593 7.214843  50.48118       127.5184 180.1817       
179.6567 -81.20621      181.0276 29.55792 10.93341 20.67395 9.416810 8.883970 
14.42969 
1 1 1 20  -10 9  o 23.79612 7.123446  35.55864       125.3189 -25.90490      
179.7509 93.68822       174.8078 21.95827 9.742699 25.63397 10.39489 -3.675697 
14.24689 
1 1 1 20  -10 10 o 34.16121 8.037829  278.7383       139.0758 187.2445       
198.3994 367.1331       195.0103 29.99391 11.39756 38.32851 11.33677 -8.334602 
16.07566 
1 1 1 20  -10 11 o 28.81044 8.237042  145.8322       149.5040 152.9901       
250.4938 141.8716       186.3299 29.99785 12.34823 27.62303 10.90490 2.374821 
16.47408 
1 1 1 20  -10 12 o 68.50375 6.782815  1052.341       188.9513 1416.366       
319.1796 855.9373       234.4470 76.82716 9.895584 60.18035 9.279209 16.64681 
13.56563 
1 1 1 20  -10 13 o 44.06231 9.094997  486.0728       170.9346 734.9217       
302.8888 369.7792       207.0587 50.79366 13.83274 37.33096 11.81233 13.46270 
18.18999 
1 1 1 20  -10 14 o 29.73526 8.559529  113.9952       160.5752 391.1572       
292.0375 -6.110192      192.2442 37.05470 13.89299 22.41582 10.00235 14.63888 
17.11906 
1 1 1 20  -10 15 o 28.22258 7.914433  121.3176       173.5797 -404.1103      
322.4801 335.6466       205.9618 21.50931 10.54051 34.93586 11.80892 -13.42656 
15.82887 
1 1 1 20  -10 16 o 24.03907 7.769717  -7.090452      161.5570 31.47253       
295.3533 -23.55488      192.9878 26.50268 12.06008 21.57546 9.799409 4.927219 
15.53943 
1 1 1 20  -10 17 o 26.04735 8.285693  77.96357       175.8548 -33.11440      
368.4571 110.7299       200.1182 26.78706 12.60187 25.30765 10.76121 1.479410 
16.57139 
1 1 1 20  -10 18 o 30.25968 9.321880  150.5247       186.7917 559.5464       
395.8033 33.32549       211.8696 37.34916 15.46342 23.17020 10.41501 14.17895 
18.64376 
1 1 1 20  -10 19 o 28.67446 8.863317  217.9291       185.1648 177.6747       
419.3801 227.6764       206.3689 28.98144 13.59129 28.36749 11.38026 0.6139507 
17.72663 
1 1 1 20  -10 20 o 30.90732 9.519309  221.9011       186.7425 843.0568       
420.7624 69.53632       208.3909 39.03615 16.02534 22.77849 10.27897 16.25766 
19.03862 
1 1 1 20  -10 21 f 40.04665 10.45013  651.3992       211.8739 1264.745       
411.9653 430.8228       247.0515 47.83001 16.67118 32.26328 12.60526 15.56673 
20.90026 
1 1 1 20  -9  0  o 61.07990 4.576026  777.6606       114.9706 685.3889       
145.8296 929.2091       186.8906 56.51329 6.146335 65.64650 6.781049 -9.133205 
9.152052 
1 1 1 20  -9  1  o 57.01560 5.228156  711.1830       121.3504 733.4901       
155.4355 676.3639       194.1946 58.41127 6.338326 55.61993 8.316255 2.791340 
10.45631 
1 1 1 20  -9  2  o 27.69336 6.601910  81.29358       104.6465 -69.24318      
133.1596 324.4149       169.2243 17.91651 8.138178 37.47021 10.39764 -19.55370 
13.20382 
1 1 1 20  -9  3  o 34.33641 6.497085  213.1659       106.0892 51.52496       
133.4284 490.9895       174.9272 22.28299 9.065299 46.38984 9.309608 -24.10685 
12.99417 
1 1 1 20  -9  4  o 30.39531 7.409136  180.8972       123.3852 52.09953       
179.9201 295.2477       169.5292 24.99136 10.39115 35.79926 10.56434 -10.80790 
14.81827 
1 1 1 20  -9  5  o 60.17834 5.435363  790.8077       137.1507 846.0696       
196.4758 738.2877       191.5393 62.28011 7.514164 58.07658 7.855573 4.203522 
10.87073 
1 1 1 20  -9  6  o 32.55373 7.408983  225.4059       127.2414 61.11649       
187.3111 366.1784       173.3875 25.59271 10.61938 39.51476 10.33446 -13.92205 
14.81797 
1 1 1 20  -9  7  o 94.76224 4.476504  1937.057       177.5756 2038.739       
263.5564 1852.521       240.3101 96.96469 6.474123 92.55979 6.184018 4.404900 
8.953008 
1 1 1 20  -9  8  o 47.84930 6.825667  536.7014       131.7205 505.1468       
196.4691 562.4653       177.5291 46.19176 10.38405 49.50684 8.861737 -3.315079 
13.65133 
1 1 1 20  -9  9  o 34.75751 7.598392  286.6119       124.2791 224.0766       
183.1325 339.9983       169.2068 31.78187 11.11163 37.73314 10.36696 -5.951271 
15.19678 
1 1 1 20  -9  10 o 29.78917 7.426961  161.3364       132.2363 -33.60735      
194.2713 329.6350       180.5070 22.66909 10.08681 36.90924 10.90392 -14.24015 
14.85392 
1 1 1 20  -9  11 o 21.66503 6.937349  -81.49492      137.7870 -162.0020      
189.5820 8.646698       200.6054 19.28322 9.062302 24.04684 10.50628 -4.763620 
13.87470 
1 1 1 20  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -9  13 o 39.23018 8.976919  415.7628       169.0889 326.0658       
300.2150 457.4369       204.6331 36.19440 13.94580 42.26595 11.30730 -6.071548 
17.95384 
1 1 1 20  -9  14 o 47.53485 8.694361  661.5157       179.9398 411.9775       
347.0823 753.2382       210.4272 38.50369 14.96181 56.56601 8.860684 -18.06232 
17.38872 
1 1 1 20  -9  15 o 56.91611 8.402246  902.3441       190.5574 681.7831       
312.3939 1033.045       240.4788 47.80288 14.39230 66.02935 8.674828 -18.22647 
16.80449 
1 1 1 20  -9  16 o 25.98264 8.058274  71.61565       161.7709 7.850443       
294.2325 99.24216       193.6698 26.51890 12.05936 25.44638 10.69182 1.072515 
16.11655 
1 1 1 20  -9  17 o 29.62326 8.595595  204.4745       172.2842 0.4000258      
353.4124 268.0893       197.3179 27.59482 12.79042 31.65170 11.48661 -4.056877 
17.19119 
1 1 1 20  -9  18 o 32.54432 9.439445  243.2668       179.6800 518.5912       
367.3804 156.7015       205.9991 38.05723 15.21874 27.03142 11.17151 11.02582 
18.87889 
1 1 1 20  -9  19 o 49.38728 10.17243  804.7187       208.3400 945.5519       
428.4566 761.1076       238.4256 46.94358 16.93711 51.83097 11.27154 -4.887394 
20.34486 
1 1 1 20  -9  20 o 33.06070 9.773657  332.2151       210.6978 636.1652       
384.5447 201.8200       251.8699 38.15718 15.44037 27.96421 11.98718 10.19297 
19.54731 
1 1 1 20  -9  21 o 20.41747 9.907042  -538.7499      215.6050 -1235.548      
366.2133 -169.1016      266.7318 ?        ?        20.41747 9.907042 ? ? 
1 1 1 20  -9  22 o 21.86431 10.59699  -364.4004      241.9251 -881.6326      
400.3082 -66.79166      303.6508 ?        ?        21.86431 10.59699 ? ? 
1 1 1 20  -8  0  o 161.3085 4.534623  5540.781       288.6113 5464.023       
351.5797 5699.385       505.3835 160.1833 5.227903 162.4336 7.410820 -2.250244 
9.069246 
1 1 1 20  -8  1  f 32.99969 7.126797  237.6157       105.7336 212.6787       
134.9249 277.2998       170.2070 30.95213 9.486813 35.04726 10.63792 -4.095139 
14.25359 
1 1 1 20  -8  2  o 34.51901 6.431506  266.9010       93.78615 240.3047       
123.5346 303.0864       144.0936 32.58939 8.815794 36.44864 9.366902 -3.859257 
12.86301 
1 1 1 20  -8  3  o 67.83937 4.472949  939.6403       122.5978 823.5087       
150.6327 1167.511       211.0028 62.05587 5.781724 73.62288 6.826475 -11.56701 
8.945898 
1 1 1 20  -8  4  f 28.31191 7.443071  118.1910       125.2688 248.5251       
183.4682 4.366600       171.4548 33.66272 11.14544 22.96110 9.867944 10.70162 
14.88614 
1 1 1 20  -8  5  o 40.62385 6.341524  416.9924       118.4803 88.31534       
185.8584 641.9940       153.7766 26.68589 10.76077 54.56180 6.713094 -27.87591 
12.68305 
1 1 1 20  -8  6  o 39.38133 7.424259  356.3332       134.9473 170.8914       
191.2222 540.3162       190.4686 30.18745 11.25710 48.57521 9.682775 -18.38776 
14.84852 
1 1 1 20  -8  7  o 51.82375 6.495239  594.1277       137.4940 693.9341       
210.5316 519.8996       181.5608 55.99540 8.955423 47.65211 9.410254 8.343288 
12.99048 
1 1 1 20  -8  8  o 58.67533 5.662238  759.8415       138.7069 684.6360       
198.7118 831.3059       193.7064 55.66380 8.502994 61.68686 7.479495 -6.023060 
11.32448 
1 1 1 20  -8  9  o 78.35274 5.237892  1341.138       171.8398 1211.731       
237.2263 1484.002       249.2561 74.29797 7.605135 82.40749 7.204440 -8.109520 
10.47578 
1 1 1 20  -8  10 o 65.26617 5.519002  926.7999       149.8147 1121.625       
227.1579 776.8237       199.3040 71.33332 7.585017 59.19902 8.019045 12.13430 
11.03800 
1 1 1 20  -8  11 o 64.27388 6.190104  989.5017       151.8863 706.9578       
233.2970 1197.364       200.1029 54.48642 10.57609 74.06134 6.435510 -19.57492 
12.38021 
1 1 1 20  -8  12 o 68.91318 5.679634  1056.621       162.6079 1131.450       
251.6893 1003.009       213.0379 70.73531 8.475193 67.09105 7.563336 3.644264 
11.35927 
1 1 1 20  -8  13 o 70.75032 5.607505  1117.239       160.1554 1083.641       
199.8120 1177.606       267.8389 69.93324 6.805484 71.56741 8.914138 -1.634178 
11.21501 
1 1 1 20  -8  14 o 62.44909 12.40816  1004.087       313.7639 1004.087       
313.7639 0.000000       0.000000 62.44909 12.40816 ?        ?        ? ? 
1 1 1 20  -8  15 o 56.08027 8.437641  859.5099       186.9444 661.4992       
318.0134 964.0681       231.0895 47.82000 14.54607 64.34054 8.554935 -16.52053 
16.87528 
1 1 1 20  -8  16 o 35.54247 8.680520  349.8637       168.1409 143.7363       
308.3583 437.0841       200.5843 30.40922 13.15352 40.67571 11.33096 -10.26649 
17.36104 
1 1 1 20  -8  17 o 31.15249 9.315365  163.9534       177.9725 377.7593       
379.7671 103.7827       201.4651 36.38222 15.11011 25.92276 10.89902 10.45946 
18.63073 
1 1 1 20  -8  18 o 52.74461 9.566513  716.2996       198.6236 1205.697       
378.2993 530.0413       233.3795 62.53347 14.65056 42.95576 12.30584 19.57770 
19.13303 
1 1 1 20  -8  19 o 42.64671 10.25071  587.0375       215.5022 775.0383       
348.4780 470.6180       274.2261 46.95263 15.36047 38.34078 13.57806 8.611843 
20.50141 
1 1 1 20  -8  20 o 35.72279 9.779749  313.2906       214.0845 821.5645       
370.3831 58.28313       262.3486 46.07509 15.83154 25.37049 11.48635 20.70460 
19.55950 
1 1 1 20  -8  21 o 41.29975 10.27161  532.8337       229.6922 1159.934       
399.5591 223.3079       280.7120 53.77237 16.29438 28.82713 12.51068 24.94524 
20.54322 
1 1 1 20  -8  22 o 26.00048 8.261041  130.2507       199.9350 -89.14243      
304.2424 297.0147       265.2524 22.55172 10.86208 29.44925 12.44968 -6.897539 
16.52208 
1 1 1 20  -8  23 o 26.40994 8.517525  224.6175       206.8580 313.4260       
318.1322 159.5665       272.2747 27.92865 12.64641 24.89123 11.41320 3.037416 
17.03505 
1 1 1 20  -7  0  o 69.69308 4.326250  1026.551       123.2113 991.7618       
156.0419 1084.158       200.7952 68.26555 5.444532 71.12061 6.724792 -2.855057 
8.652500 
1 1 1 20  -7  1  o 71.84416 4.372767  1093.178       126.1117 1069.831       
156.1846 1136.916       213.7734 70.93056 5.244762 72.75777 6.998345 -1.827217 
8.745534 
1 1 1 20  -7  2  o 45.93105 5.084474  447.2915       96.60452 417.6767       
124.7177 491.7104       152.7419 44.12711 6.731991 47.73499 7.621533 -3.607880 
10.16895 
1 1 1 20  -7  3  o 29.61750 7.472354  167.6082       116.8213 135.1963       
154.8195 210.4622       178.0199 27.40318 10.14691 31.83181 10.97199 -4.428629 
14.94471 
1 1 1 20  -7  4  o 77.45648 4.698734  1277.173       151.6488 1518.183       
224.9591 1076.422       205.3126 84.16914 6.366075 70.74383 6.912705 13.42531 
9.397468 
1 1 1 20  -7  5  o 45.25738 7.131836  472.6952       131.8945 429.9414       
194.9998 508.7494       179.0706 43.10730 10.78958 47.40745 9.329383 -4.300152 
14.26367 
1 1 1 20  -7  6  o 44.08060 7.513307  449.7364       138.5343 541.5215       
197.8127 361.3871       194.0750 48.64466 10.02859 39.51655 11.19046 9.128117 
15.02661 
1 1 1 20  -7  7  o 74.41563 5.253944  1200.364       163.7481 1094.113       
228.9219 1311.687       234.3221 70.96190 7.683925 77.86938 7.167497 -6.907478 
10.50789 
1 1 1 20  -7  8  o 44.43943 6.751255  425.1392       118.7349 576.5365       
201.1120 344.1315       147.1099 50.13721 9.906875 38.74165 9.174509 11.39556 
13.50251 
1 1 1 20  -7  9  o 21.12982 6.701786  -84.12559      125.4598 13.25836       
186.2462 -165.0250      169.7526 24.00837 10.30026 18.25128 8.576736 5.757086 
13.40357 
1 1 1 20  -7  10 o 54.18369 5.732406  616.2113       124.0683 746.1657       
218.5990 554.4569       150.6907 57.91098 8.991004 50.45639 7.113630 7.454594 
11.46481 
1 1 1 20  -7  11 o 34.88196 8.005699  264.4402       134.7633 379.6331       
210.8599 184.8973       175.2193 39.78518 11.79330 29.97874 10.82972 9.806435 
16.01140 
1 1 1 20  -7  12 o 88.09114 4.869907  1689.354       179.4206 1818.053       
268.4549 1585.457       241.2051 91.03111 7.024292 85.15118 6.747097 5.879929 
9.739815 
1 1 1 20  -7  13 o 33.40277 8.085522  241.8638       145.9127 383.7582       
205.8262 98.51103       206.8813 39.48958 11.63637 27.31595 11.22931 12.17363 
16.17104 
1 1 1 20  -7  14 o 23.82853 7.348590  9.688980       138.7424 31.49334       
194.1649 -13.05949      198.3240 24.36002 10.48594 23.29703 10.29817 1.062988 
14.69718 
1 1 1 20  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -7  16 o 35.43401 9.321731  288.8879       170.1908 423.1790       
322.5704 237.0847       200.3452 39.23627 14.62288 31.63174 11.56504 7.604527 
18.64346 
1 1 1 20  -7  17 o 31.61655 9.427568  181.9668       201.4426 273.6331       
358.0560 139.5162       243.6623 34.52720 14.52393 28.70591 12.02380 5.821295 
18.85514 
1 1 1 20  -7  18 o 33.50668 9.703191  278.9352       210.2813 289.1770       
363.9923 273.8047       257.6207 34.24343 14.53548 32.76992 12.85797 1.473507 
19.40638 
1 1 1 20  -7  19 o 37.71619 10.17036  361.9947       217.9313 751.8508       
384.6085 177.6283       264.4890 46.04537 16.10249 29.38701 12.42797 16.65836 
20.34072 
1 1 1 20  -7  20 o 25.52202 8.300938  1.932817       205.0875 -130.0146      
337.1678 79.42133       258.3832 24.80144 11.82047 26.24261 11.65756 -1.441164 
16.60188 
1 1 1 20  -7  21 o 27.19810 8.789439  66.16905       212.5070 230.7737       
362.3356 -20.13778      262.3690 30.58122 13.68656 23.81499 11.03154 6.766237 
17.57888 
1 1 1 20  -7  22 o 22.99457 10.41916  -202.7895      201.3504 -1745.502      
551.2030 34.76738       216.2982 ?        ?        22.99457 10.41916 ? ? 
1 1 1 20  -7  23 f 23.21289 7.481286  35.88445       173.6671 -264.5497      
305.5587 179.2442       211.0735 20.51175 10.10326 25.91403 11.03642 -5.402279 
14.96257 
1 1 1 20  -7  24 o 21.05160 7.044811  -10.92954      165.4969 -73.75520      
258.0479 32.96763       215.6999 20.69042 9.974879 21.41278 9.950841 
-0.7223568     14.08962 
1 1 1 20  -6  0  o 111.9468 4.612566  2735.142       206.6587 2894.472       
260.6691 2465.551       339.0734 116.7530 5.317929 107.1406 7.538083 9.612465 
9.225132 
1 1 1 20  -6  1  o 161.5406 5.192067  5492.885       318.9893 5351.227       
376.2390 5855.038       601.5750 158.6230 5.649612 164.4581 8.712756 -5.835068 
10.38413 
1 1 1 20  -6  2  o 36.31329 6.888745  307.0021       107.8502 354.8628       
137.1334 229.4014       174.6172 39.79910 8.461153 32.82748 10.87327 6.971619 
13.77749 
1 1 1 20  -6  3  f 28.89446 7.711454  140.7147       128.4937 107.5091       
185.7043 171.2143       177.9769 27.69029 10.90078 30.09863 10.91050 -2.408344 
15.42291 
1 1 1 20  -6  4  o 54.47568 6.636755  679.8044       142.5738 424.4901       
201.6172 935.1823       201.6424 42.98831 11.09822 65.96305 7.281186 -22.97474 
13.27351 
1 1 1 20  -6  5  o 166.8217 6.842490  6110.169       478.2524 6316.561       
663.6417 5887.174       689.8198 170.0294 9.296741 163.6139 10.04237 6.415482 
13.68498 
1 1 1 20  -6  6  o 34.06732 7.473432  241.6192       115.2424 335.4031       
191.9129 188.7301       144.1196 38.33224 11.21738 29.80241 9.878215 8.529827 
14.94686 
1 1 1 20  -6  7  o 44.00042 7.224893  435.5849       132.6352 597.8568       
198.3465 304.3297       178.3862 51.41911 9.545585 36.58174 10.84795 14.83737 
14.44979 
1 1 1 20  -6  8  o 60.14430 6.211615  779.3668       150.9086 1008.767       
234.1813 616.4537       197.3484 68.05343 8.196403 52.23518 9.335716 15.81825 
12.42323 
1 1 1 20  -6  9  o 53.16598 6.685108  637.7078       144.6676 597.3012       
214.0694 671.6741       196.2693 50.93506 10.37048 55.39690 8.438943 -4.461838 
13.37022 
1 1 1 20  -6  10 o 47.94333 6.832635  524.6288       132.3204 496.5394       
178.9793 558.4885       196.5046 46.56407 9.484311 49.32259 9.838062 -2.758518 
13.66527 
1 1 1 20  -6  11 o 28.21712 7.694435  97.00977       133.9345 248.5677       
207.5398 -11.15774      175.3317 33.86273 11.82991 22.57151 9.842278 11.29122 
15.38887 
1 1 1 20  -6  12 o 82.99464 5.379711  1518.985       186.2197 1348.682       
266.3143 1681.922       260.4910 78.17186 8.114562 87.81742 7.065340 -9.645561 
10.75942 
1 1 1 20  -6  13 o 85.56394 4.757449  1576.422       164.5359 1678.347       
275.6624 1520.014       205.0715 87.27380 7.523410 83.85409 5.825082 3.419708 
9.514898 
1 1 1 20  -6  14 o 53.59711 6.775429  671.7379       145.6193 696.1499       
189.7070 636.7226       227.2007 55.80442 8.097219 51.38979 10.86558 4.414623 
13.55086 
1 1 1 20  -6  15 f 33.03418 7.614443  251.1450       139.2053 403.4171       
179.8791 23.78634       219.7992 40.64726 10.47721 25.42109 11.05202 15.22617 
15.22889 
1 1 1 20  -6  16 o 91.26718 8.876224  2091.403       339.5611 2233.184       
497.1636 1967.436       464.8839 94.12254 12.58134 88.41181 12.52435 5.710732 
17.75245 
1 1 1 20  -6  17 o 50.76916 15.93485  778.5133       377.6474 778.5133       
377.6474 0.000000       0.000000 50.76916 15.93485 ?        ?        ? ? 
1 1 1 20  -6  18 o 44.42637 10.20458  587.4595       217.2594 540.7002       
363.9624 613.3444       270.7976 42.04491 15.55997 46.80783 13.20685 -4.762920 
20.40916 
1 1 1 20  -6  19 o 55.10760 9.743865  869.7324       220.2260 943.5607       
357.8548 824.7274       279.3999 55.42178 15.00996 54.79342 12.42870 0.6283607 
19.48773 
1 1 1 20  -6  20 o 32.38844 9.504440  245.1421       202.4580 386.9633       
348.8194 173.0953       248.6207 35.81955 14.62891 28.95734 12.13806 6.862209 
19.00888 
1 1 1 20  -6  21 o 24.05164 7.859295  -20.28658      180.7448 -246.6983      
355.3376 58.73988       209.9317 23.86043 11.54373 24.24285 10.66848 
-0.3824158     15.71859 
1 1 1 20  -6  22 o 25.58916 8.244118  63.22707       181.3858 -15.96417      
366.0811 88.99447       208.8209 26.54614 12.50970 24.63218 10.74101 1.913963 
16.48824 
1 1 1 20  -6  23 o 29.22720 8.719315  242.1618       189.4007 118.6842       
295.7657 327.9962       246.5952 26.64120 12.10851 31.81321 12.54950 -5.172012 
17.43863 
1 1 1 20  -6  24 o 23.35679 7.363907  20.90125       166.5651 -299.7600      
255.6181 257.5287       219.5841 18.41716 9.087413 28.29641 11.58997 -9.879253 
14.72781 
1 1 1 20  -6  25 o 25.92576 7.871949  195.2574       169.1902 -26.87914      
258.7425 361.1850       223.6233 21.35598 10.22020 30.49554 11.97572 -9.139565 
15.74390 
1 1 1 20  -5  0  o 48.26785 5.923132  487.1456       115.1709 387.4930       
146.7691 646.8469       185.7996 41.66438 8.676689 54.87131 8.065300 -13.20693 
11.84626 
1 1 1 20  -5  1  o 66.98250 3.815641  940.6824       106.1017 882.4493       
138.3756 1023.768       165.2863 64.53253 5.107423 69.43246 5.670159 -4.899933 
7.631283 
1 1 1 20  -5  2  o 97.65044 4.439888  2017.700       181.2077 1772.759       
246.4345 2306.041       267.3776 91.20409 6.435884 104.0968 6.117990 -12.89271 
8.879775 
1 1 1 20  -5  3  o 132.8446 4.887888  3642.174       258.9911 3381.037       
315.1867 4185.034       454.4417 126.0693 5.954971 139.6199 7.752684 -13.55056 
9.775776 
1 1 1 20  -5  4  o 83.84486 4.788533  1516.458       166.8516 1697.270       
230.7900 1318.473       241.5020 89.25884 6.158669 78.43089 7.334233 10.82796 
9.577065 
1 1 1 20  -5  5  o 34.90942 7.915835  265.8968       130.9867 266.4136       
191.3570 265.4411       179.6801 35.04075 11.38254 34.77810 11.00362 0.2626534 
15.83167 
1 1 1 20  -5  6  o 70.97971 5.372971  1080.948       159.6053 966.8972       
219.9325 1207.837       231.9812 66.98431 7.820551 74.97509 7.369821 -7.990776 
10.74594 
1 1 1 20  -5  7  o 67.48620 5.480283  980.5176       154.0367 823.1298       
212.2138 1155.780       223.9405 61.66572 8.196924 73.30668 7.276293 -11.64096 
10.96057 
1 1 1 20  -5  8  o 55.60201 5.621007  669.7928       130.7489 674.2930       
178.0137 664.5210       192.6684 55.88036 7.587790 55.32367 8.295079 0.5566826 
11.24201 
1 1 1 20  -5  9  o 37.41560 6.966425  288.4839       139.7102 -45.59416      
201.7205 596.4747       193.6845 23.40986 10.36214 51.42133 9.313987 -28.01147 
13.93285 
1 1 1 20  -5  10 o 96.25262 5.006990  2021.034       198.8495 1871.271       
303.8254 2133.256       263.0027 92.81607 7.796901 99.68919 6.283958 -6.873116 
10.01398 
1 1 1 20  -5  11 o 38.45350 7.864168  320.6570       137.7511 489.6242       
214.4108 201.8933       179.7576 45.67674 11.24192 31.23025 11.00000 14.44650 
15.72834 
1 1 1 20  -5  12 f 44.17459 7.084783  453.8272       123.8507 442.9971       
209.9911 459.6039       153.3647 43.26958 11.39936 45.07961 8.416125 -1.810028 
14.16957 
1 1 1 20  -5  13 o 59.27617 6.658519  833.3859       152.9815 545.6332       
223.3014 1087.896       210.0071 47.88522 11.28003 70.66712 7.078442 -22.78190 
13.31704 
1 1 1 20  -5  14 o 109.5798 5.396429  2652.515       246.7887 2721.951       
334.4438 2569.510       365.6660 111.4772 7.145922 107.6825 8.088361 3.794685 
10.79286 
1 1 1 20  -5  15 o 64.78766 5.923909  941.5764       158.1436 945.1772       
205.6311 936.3636       247.4197 65.35040 7.494828 64.22493 9.175965 1.125465 
11.84782 
1 1 1 20  -5  16 o 97.19434 5.789275  2053.031       209.7884 1964.145       
244.0235 2304.828       410.7134 94.78032 6.132458 99.60837 9.821191 -4.828049 
11.57855 
1 1 1 20  -5  17 o 94.16205 8.272987  2141.922       324.1115 2515.225       
499.5256 1870.498       425.9433 101.0304 11.77678 87.29365 11.62225 13.73680 
16.54597 
1 1 1 20  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -5  19 o 27.19665 8.648108  -65.19357      190.5296 259.7490       
348.4104 -203.8250      227.5720 34.13317 14.34110 20.26013 9.669126 13.87304 
17.29622 
1 1 1 20  -5  20 o 45.12775 9.611894  491.5026       184.0596 943.5401       
357.0010 327.8411       214.8105 55.44976 14.98064 34.80575 12.04718 20.64401 
19.22379 
1 1 1 20  -5  21 o 49.31842 9.665062  748.8390       202.0429 713.5978       
371.6188 763.6273       240.7306 45.19350 15.82598 53.44335 11.09919 -8.249851 
19.33012 
1 1 1 20  -5  22 o 40.05097 10.12412  472.1794       192.5385 738.5010       
389.7097 386.1811       221.4536 44.01448 16.12612 36.08745 12.24499 7.927032 
20.24824 
1 1 1 20  -5  23 f 49.05799 10.09107  455.1781       220.2142 1894.785       
494.3927 98.86308       245.9615 72.27988 16.62778 25.83611 11.43836 46.44376 
20.18215 
1 1 1 20  -5  24 o 23.83300 7.723234  14.38808       182.6293 -179.8165      
287.2281 146.1856       236.6197 21.50923 10.40143 26.15676 11.41944 -4.647533 
15.44647 
1 1 1 20  -5  25 o 25.77545 8.171687  165.8810       183.5595 122.3572       
256.6075 211.4904       262.6837 24.74425 11.25491 26.80665 11.85044 -2.062407 
16.34337 
1 1 1 20  -5  26 o 22.30325 7.553697  -12.18271      203.7270 129.0773       
284.5537 -160.7392      291.8102 24.22699 11.32435 20.37951 9.999619 3.847483 
15.10739 
1 1 1 20  -4  0  o 145.5076 4.183486  4435.831       241.7679 4318.024       
295.4301 4674.704       420.6799 142.8685 4.925376 148.1467 6.763644 -5.278275 
8.366971 
1 1 1 20  -4  1  o 137.6146 4.470517  4026.540       248.0158 4027.125       
310.3296 4025.506       412.6281 137.8732 5.361229 137.3561 7.155368 0.5171204 
8.941033 
1 1 1 20  -4  2  o 35.92072 7.976469  276.2938       137.1354 194.6137       
193.2866 359.0856       194.5974 31.89168 11.38884 39.94976 11.17097 -8.058081 
15.95294 
1 1 1 20  -4  3  o 45.11698 7.235515  454.8691       139.1966 610.6688       
197.3609 300.6607       196.3504 53.25240 8.827605 36.98157 11.46665 16.27083 
14.47103 
1 1 1 20  -4  4  o 35.67939 7.917992  273.0753       132.6979 333.7850       
195.8899 221.5912       180.3929 38.63206 11.34195 32.72671 11.05163 5.905354 
15.83598 
1 1 1 20  -4  5  o 44.08750 6.699438  436.4947       119.4612 440.6723       
158.4586 430.9939       181.8298 44.48381 8.797690 43.69119 10.10596 0.7926216 
13.39888 
1 1 1 20  -4  6  o 70.76050 5.316493  1073.846       157.4746 969.6207       
220.3079 1182.729       225.1774 67.19026 7.809887 74.33073 7.215682 -7.140472 
10.63299 
1 1 1 20  -4  7  o 75.85393 4.959233  1179.854       150.2989 1401.506       
264.1964 1073.794       182.7535 80.72399 7.795524 70.98386 6.132354 9.740135 
9.918466 
1 1 1 20  -4  8  o 31.59611 7.980161  176.9548       137.7240 291.9081       
205.1311 82.60870       185.8373 36.45585 11.77983 26.73636 10.76882 9.719490 
15.96032 
1 1 1 20  -4  9  f 101.3647 4.722483  2214.696       199.6119 2346.445       
272.5627 2062.294       293.1478 104.7802 6.195957 97.94923 7.128641 6.830940 
9.444966 
1 1 1 20  -4  10 o 55.65141 7.013423  703.7829       157.7612 604.2744       
233.3535 787.5511       214.1035 51.14879 11.17499 60.15402 8.477740 -9.005230 
14.02685 
1 1 1 20  -4  11 o 119.2346 5.344016  3052.597       265.7589 3305.040       
404.7690 2861.315       352.3414 123.4046 7.812624 115.0645 7.293622 8.340096 
10.68803 
1 1 1 20  -4  12 o 48.19790 7.395884  509.3225       150.0712 770.3160       
231.6149 320.4680       197.0222 59.04338 9.343646 37.35243 11.46703 21.69095 
14.79177 
1 1 1 20  -4  13 o 58.84681 5.739728  759.4113       139.9654 919.7912       
202.2349 611.9646       193.9094 65.02400 7.408044 52.66961 8.769197 12.35439 
11.47946 
1 1 1 20  -4  14 o 81.57199 4.680958  1436.137       159.7751 1374.984       
215.6907 1510.496       237.8421 79.72224 6.444259 83.42174 6.790949 -3.699493 
9.361916 
1 1 1 20  -4  15 o 23.12181 7.082195  3.823627       126.7612 -2.822262      
179.1613 10.48528       179.3737 22.90953 9.969416 23.33409 10.06184 
-0.4245529     14.16439 
1 1 1 20  -4  16 o 18.21897 6.227108  -283.5637      144.2509 -249.4642      
192.9068 -326.8165      217.2608 18.05591 8.685040 18.38203 8.926229 
-0.3261185     12.45422 
1 1 1 20  -4  17 o 35.74217 9.005656  304.3602       170.1736 276.4896       
261.3386 324.8769       224.2255 34.98394 13.13739 36.50040 12.32138 -1.516464 
18.01131 
1 1 1 20  -4  18 o 57.49028 7.858879  804.2324       179.3552 886.1612       
287.1499 751.8228       229.6655 59.23432 11.96550 55.74624 10.19190 3.488075 
15.71776 
1 1 1 20  -4  19 o 33.61434 9.508739  222.5179       188.5644 384.1283       
346.5122 154.5257       224.7572 38.17005 14.92536 29.05864 11.78550 9.111408 
19.01748 
1 1 1 20  -4  20 o 33.14091 14.10877  222.8584       344.7128 222.8584       
344.7128 0.000000       0.000000 33.14091 14.10877 ?        ?        ? ? 
1 1 1 20  -4  21 o 26.32401 8.466931  14.65258       179.1745 68.27814       
359.8665 -3.022597      206.6033 29.57168 13.41726 23.07634 10.33116 6.495340 
16.93386 
1 1 1 20  -4  22 o 34.65382 9.954400  303.0564       209.5132 536.9624       
384.8584 204.5392       249.7677 39.45861 15.64217 29.84903 12.31596 9.609577 
19.90880 
1 1 1 20  -4  23 o 41.41583 10.72929  619.6453       244.4334 597.9389       
387.3873 634.0040       315.0729 39.80674 15.72082 43.02492 14.60570 -3.218174 
21.45858 
1 1 1 20  -4  24 o 28.55110 12.51967  -358.7878      211.5275 -1004.043      
312.9707 183.8346       287.0033 ?        ?        28.55110 12.51967 ? ? 
1 1 1 20  -4  25 o 22.08207 7.399014  -93.72260      188.5442 34.34824       
253.4328 -252.4705      282.1576 23.81766 10.95872 20.34649 9.944248 3.471178 
14.79803 
1 1 1 20  -4  26 o 22.46717 7.569154  -33.17894      200.6821 92.15781       
275.6590 -174.5141      292.7238 24.20292 11.24812 20.73144 10.13154 3.471479 
15.13831 
1 1 1 20  -4  27 o 20.65202 7.185789  -187.7148      215.6268 6.952437       
318.6722 -352.1083      292.8467 22.81014 11.01764 18.49390 9.227889 4.316235 
14.37158 
1 1 1 20  -3  0  o 130.8879 4.590291  3607.828       234.8064 3550.732       
283.2886 3733.152       419.7043 129.5366 5.209041 132.2392 7.559693 -2.702667 
9.180581 
1 1 1 20  -3  1  o 136.2848 5.469712  3955.101       305.0492 3910.455       
389.2326 4026.183       491.1315 135.5501 6.839596 137.0194 8.537618 -1.469315 
10.93942 
1 1 1 20  -3  2  o 56.49956 5.683877  685.2338       133.5830 801.2793       
190.8771 573.8407       187.0119 61.28278 7.418849 51.71634 8.613158 9.566433 
11.36775 
1 1 1 20  -3  3  o 150.4044 6.285613  4869.253       395.8759 4988.340       
544.9684 4736.204       576.0281 152.4997 8.511840 148.3091 9.251179 4.190613 
12.57123 
1 1 1 20  -3  4  o 128.1951 5.449877  3506.426       293.0328 3316.759       
405.1194 3714.550       424.3727 124.5540 7.747228 131.8363 7.667144 -7.282242 
10.89975 
1 1 1 20  -3  5  o 90.39870 4.225450  1747.569       158.2918 1645.966       
239.9346 1825.873       210.6334 87.96288 6.497024 92.83452 5.404292 -4.871635 
8.450899 
1 1 1 20  -3  6  o 91.67497 4.269201  1781.062       162.9310 1751.491       
216.0320 1820.072       248.1259 90.86068 5.663217 92.48927 6.390015 -1.628586 
8.538402 
1 1 1 20  -3  7  o 33.14861 7.945829  225.5116       133.5746 166.6215       
193.2115 279.4268       184.8706 30.60579 11.33489 35.69143 11.13845 -5.085638 
15.89166 
1 1 1 20  -3  8  o 84.83305 5.341815  1516.173       187.9922 1888.770       
285.9997 1232.714       249.4538 93.91840 7.253304 75.74770 7.844077 18.17071 
10.68363 
1 1 1 20  -3  9  o 133.7825 4.897814  3827.944       268.9036 3848.520       
428.1553 3814.542       345.5582 133.8050 7.621668 133.7599 6.153415 
0.4510498E-01  9.795629 
1 1 1 20  -3  10 o 48.96053 6.725039  525.2381       134.8120 393.7567       
180.7799 689.9558       202.3430 41.51417 10.38746 56.40688 8.544312 -14.89271 
13.45008 
1 1 1 20  -3  11 o 91.32536 5.134672  1791.458       196.3301 1731.129       
266.2603 1863.344       290.6448 89.70584 7.069793 92.94488 7.448318 -3.239037 
10.26934 
1 1 1 20  -3  12 o 122.2565 6.052244  3267.443       306.2700 3228.883       
472.2041 3295.444       402.3872 121.2237 9.278193 123.2893 7.773916 -2.065628 
12.10449 
1 1 1 20  -3  13 o 41.72654 7.975232  396.1750       142.5705 490.7435       
219.7268 327.4098       187.3676 45.74900 11.45475 37.70409 11.09982 8.044907 
15.95046 
1 1 1 20  -3  14 o 61.85294 5.103568  804.0454       130.4097 670.2967       
167.8725 1007.600       207.0977 55.57819 7.194429 68.12770 7.240566 -12.54951 
10.20714 
1 1 1 20  -3  15 o 24.39899 7.367801  22.68872       133.6469 27.63832       
186.5078 17.46482       191.6058 24.41896 10.38624 24.37902 10.45295 
0.3993416E-01  14.73560 
1 1 1 20  -3  16 o 39.58818 7.981846  380.6330       142.5606 281.9429       
214.7185 458.4332       190.6440 35.19312 12.05734 43.98324 10.46231 -8.790119 
15.96369 
1 1 1 20  -3  17 o 83.45915 5.698760  1563.039       197.0975 1474.026       
297.8401 1632.389       262.8950 80.88169 8.771101 86.03661 7.278134 -5.154915 
11.39752 
1 1 1 20  -3  18 o 47.87193 8.648959  548.3182       167.7056 703.0962       
289.1004 469.8178       205.8877 52.15384 13.18806 43.59001 11.19343 8.563831 
17.29792 
1 1 1 20  -3  19 f 99.87836 6.138713  2280.894       254.2053 2374.545       
393.9955 2214.105       332.7229 100.9929 9.292267 98.76386 8.024273 2.228989 
12.27743 
1 1 1 20  -3  20 o 47.12481 9.881178  352.9300       206.0590 1323.476       
445.0757 88.14098       232.4748 67.04021 16.01051 27.20941 11.58509 39.83080 
19.76236 
1 1 1 20  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -3  22 o 30.67466 9.457922  164.1579       222.7116 189.5092       
367.9029 149.4942       279.8038 31.99037 14.09830 29.35895 12.61139 2.631416 
18.91584 
1 1 1 20  -3  23 o 24.10498 8.024467  -149.5061      219.6747 -479.6187      
362.3832 42.27516       276.2104 21.98090 10.83964 26.22906 11.83513 -4.248163 
16.04893 
1 1 1 20  -3  24 o 37.29208 10.05458  462.5157       224.6474 611.6621       
322.4629 321.8680       313.1409 41.71108 14.72873 32.87307 13.69098 8.838017 
20.10916 
1 1 1 20  -3  25 o 31.44397 9.096273  286.2836       193.3309 168.7347       
260.4664 430.4974       288.4999 27.64113 12.02435 35.24681 13.65224 -7.605679 
18.19255 
1 1 1 20  -3  26 f 23.70458 7.908541  -32.71001      209.9352 -175.5879      
303.9238 97.67153       290.3289 21.79786 10.57633 25.61130 11.76101 -3.813437 
15.81708 
1 1 1 20  -3  27 o 21.88507 7.509836  -92.02498      217.6238 -216.4937      
338.0168 -3.904212      284.4116 21.22310 10.46665 22.54704 10.77218 -1.323944 
15.01967 
1 1 1 20  -2  0  o 67.54427 4.114435  989.7631       103.2092 1017.945       
121.5251 916.8337       195.4948 69.46629 4.166897 65.62225 7.095864 3.844048 
8.228870 
1 1 1 20  -2  1  o 70.77537 4.598228  1079.613       134.4889 1192.637       
181.6447 942.4810       200.0813 75.02454 5.766873 66.52620 7.163658 8.498337 
9.196457 
1 1 1 20  -2  2  o 32.11510 6.779405  143.9923       124.5767 441.3435       
183.6623 -109.3888      169.5400 44.37466 10.08463 19.85554 9.063194 24.51912 
13.55881 
1 1 1 20  -2  3  o 56.96751 6.090626  714.3085       138.2479 528.7917       
193.8784 906.2128       197.1877 48.70986 9.824978 65.22517 7.200884 -16.51530 
12.18125 
1 1 1 20  -2  4  o 79.33996 5.077411  1341.792       169.0186 1385.198       
237.8063 1297.482       240.2695 80.66268 7.022178 78.01723 7.335492 2.645447 
10.15482 
1 1 1 20  -2  5  o 46.85680 6.894408  490.2967       135.7073 258.0756       
188.2468 741.5656       195.8151 34.81614 11.28808 58.89747 7.919005 -24.08133 
13.78882 
1 1 1 20  -2  6  o 22.84455 7.005580  -32.86821      127.9265 -125.6359      
189.7974 44.36107       173.1740 20.88251 9.555835 24.80658 10.24688 -3.924068 
14.01116 
1 1 1 20  -2  7  o 26.46433 7.100006  27.44727       131.0837 -227.6590      
192.8154 246.6773       178.7439 18.93145 8.983453 33.99721 10.99718 -15.06576 
14.20001 
1 1 1 20  -2  8  o 175.8481 6.189814  6689.928       433.5912 6552.737       
735.3087 6763.061       536.8603 173.7397 10.08072 177.9564 7.185694 -4.216721 
12.37963 
1 1 1 20  -2  9  o 78.88193 5.466857  1333.676       180.8898 1257.929       
252.5246 1413.506       259.2411 76.55555 7.856844 81.20830 7.603691 -4.652748 
10.93371 
1 1 1 20  -2  10 o 69.54584 5.351126  1048.081       154.4740 1125.768       
208.8113 954.1713       229.5811 72.55811 6.854711 66.53358 8.218951 6.024529 
10.70225 
1 1 1 20  -2  11 o 125.3547 5.530288  3372.061       289.5536 3528.705       
435.7488 3248.203       387.4709 127.8230 8.119858 122.8865 7.510276 4.936440 
11.06058 
1 1 1 20  -2  12 o 63.04295 5.963342  859.2645       156.6897 894.1921       
238.1246 832.5930       208.0860 64.06039 8.853922 62.02551 7.990860 2.034885 
11.92668 
1 1 1 20  -2  13 o 72.45779 5.973566  1140.159       180.2804 957.6646       
247.5250 1346.337       263.0968 66.15268 8.912359 78.76290 7.956370 -12.61022 
11.94713 
1 1 1 20  -2  14 o 87.92520 4.988136  1647.766       182.6116 1503.111       
240.1290 1846.154       281.2136 83.48088 6.851390 92.36953 7.251513 -8.888649 
9.976272 
1 1 1 20  -2  15 o 69.59094 5.398967  1060.549       156.8179 965.2795       
226.4777 1148.295       217.3517 66.40539 8.123502 72.77650 7.113657 -6.371117 
10.79793 
1 1 1 20  -2  16 f 52.56100 7.005762  635.6713       150.4453 547.8422       
216.0241 718.3884       209.6431 48.19817 10.92573 56.92382 8.772180 -8.725655 
14.01152 
1 1 1 20  -2  17 o 98.54955 5.175112  2152.140       208.8877 2012.819       
326.9129 2248.271       271.5539 95.30689 8.170128 101.7922 6.354224 -6.485321 
10.35022 
1 1 1 20  -2  18 o 41.36813 8.516634  424.1269       160.6359 320.8464       
232.5020 518.4536       222.1953 36.73866 12.54672 45.99760 11.52007 -9.258938 
17.03327 
1 1 1 20  -2  19 o 33.23343 8.654496  241.7426       165.6163 119.6792       
248.2115 339.6955       222.3502 29.37489 12.20879 37.09198 12.26975 -7.717087 
17.30899 
1 1 1 20  -2  20 o 37.88812 9.224186  364.2995       179.8928 451.0834       
257.9991 282.1862       250.9604 41.27789 13.19822 34.49835 12.88990 6.779533 
18.44837 
1 1 1 20  -2  21 f 40.09044 9.623356  439.3086       192.5043 408.2636       
258.0525 478.2634       289.0635 38.85705 13.21816 41.32383 13.98986 -2.466774 
19.24671 
1 1 1 20  -2  22 o 30.35135 9.466941  93.37016       229.4733 260.2271       
372.2141 -8.933067      291.4510 34.19371 14.61201 26.50900 12.04081 7.684711 
18.93388 
1 1 1 20  -2  23 o 33.06048 9.787526  185.0503       227.7510 542.7638       
380.0556 -15.38629      284.4907 40.41333 15.66616 25.70763 11.73687 14.70570 
19.57505 
1 1 1 20  -2  24 o 35.05958 9.791700  368.7752       213.6011 445.7751       
315.1172 303.3210       290.5332 37.18552 14.29603 32.93364 13.38407 4.251884 
19.58340 
1 1 1 20  -2  25 o 38.83008 9.926621  496.2560       209.1766 669.6921       
319.6004 366.2898       276.6640 43.60175 14.71027 34.05841 13.33264 9.543346 
19.85324 
1 1 1 20  -2  26 o 24.19523 7.861156  21.42880       184.9725 -106.6306      
298.6028 101.1673       235.6254 23.11455 11.04196 25.27591 11.19224 -2.161362 
15.72231 
1 1 1 20  -2  27 o 30.86001 9.125803  339.6847       212.0654 143.2786       
322.0327 490.0715       281.7911 26.50511 12.25620 35.21490 13.52430 -8.709793 
18.25161 
1 1 1 20  -2  28 o 24.04246 7.913663  110.5122       197.9284 -13.59972      
324.5991 183.9712       249.7255 22.87586 11.06145 25.20905 11.32027 -2.333185 
15.82733 
1 1 1 20  -1  0  o 64.56905 4.934055  883.0513       132.6035 858.7429       
175.3217 915.5457       202.7038 63.58387 6.567647 65.55423 7.365160 -1.970360 
9.868110 
1 1 1 20  -1  1  o 70.15520 4.437857  1043.822       130.0644 1039.348       
175.2867 1049.303       194.0131 70.02454 5.962382 70.28587 6.574823 
-0.2613373     8.875713 
1 1 1 20  -1  2  o 95.15677 4.274560  1916.122       170.3762 1868.594       
232.0318 1971.729       250.9787 93.90335 5.885556 96.41018 6.200619 -2.506828 
8.549120 
1 1 1 20  -1  3  o 88.51101 4.642180  1669.907       171.7635 1583.077       
250.5863 1746.858       235.8990 86.27582 6.918139 90.74620 6.191825 -4.470383 
9.284360 
1 1 1 20  -1  4  o 112.9684 4.601328  2706.225       216.9481 2747.454       
325.9766 2673.443       290.6715 113.6731 6.830461 112.2637 6.167145 1.409340 
9.202656 
1 1 1 20  -1  5  o 41.30138 7.401280  383.3938       128.5683 372.6842       
185.6865 393.2563       178.1910 40.74393 10.71268 41.85884 10.21539 -1.114910 
14.80256 
1 1 1 20  -1  6  o 102.8719 3.938185  2239.890       169.9942 2275.255       
245.2136 2207.166       235.8746 103.6425 5.635437 102.1012 5.502641 1.541290 
7.876370 
1 1 1 20  -1  7  o 30.58474 7.766020  171.3389       129.2462 108.1766       
186.7113 229.4503       179.0903 27.99263 10.95388 33.17684 11.01166 -5.184214 
15.53204 
1 1 1 20  -1  8  o 27.09152 7.245222  46.99307       133.4981 -191.7933      
196.7666 250.6550       181.7195 19.90091 9.328665 34.28214 11.08823 -14.38124 
14.49044 
1 1 1 20  -1  9  o 193.4608 7.328393  8128.762       595.1475 8172.018       
849.3882 8087.043       834.1501 193.9231 10.43272 192.9985 10.29464 0.9245911 
14.65679 
1 1 1 20  -1  10 o 28.19417 7.634441  123.8180       126.8449 153.2211       
173.1111 89.72868       186.3964 29.21921 10.74371 27.16914 10.84949 2.050070 
15.26888 
1 1 1 20  -1  11 o 35.78009 7.150138  250.8825       143.6800 -102.9578      
216.7079 528.4323       191.9294 23.06865 10.44210 48.49154 9.770386 -25.42289 
14.30028 
1 1 1 20  -1  12 o 96.61268 5.596622  2013.768       226.7526 1911.569       
321.2778 2115.206       320.0787 94.09759 8.132485 99.12777 7.690996 -5.030182 
11.19324 
1 1 1 20  -1  13 o 61.20787 6.646431  815.6709       161.7821 575.2060       
214.9386 1129.966       245.7294 50.17619 10.53824 72.23955 8.102203 -22.06336 
13.29286 
1 1 1 20  -1  14 o 49.70901 6.932911  555.1585       141.7603 662.4197       
203.8799 454.7665       197.2435 55.04551 8.822134 44.37251 10.69724 10.67300 
13.86582 
1 1 1 20  -1  15 f 44.48563 7.676394  461.0008       143.8404 569.4482       
204.4171 354.6419       202.4392 49.82978 10.12343 39.14149 11.54228 10.68829 
15.35279 
1 1 1 20  -1  16 o 73.39813 5.651244  1162.127       172.9639 1337.137       
263.1276 1028.969       229.5182 78.18973 8.015632 68.60654 7.968431 9.583191 
11.30249 
1 1 1 20  -1  17 o 123.1738 5.223283  3332.598       265.9019 3440.635       
350.5737 3186.259       408.0124 126.0030 6.627040 120.3447 8.075462 5.658241 
10.44657 
1 1 1 20  -1  18 o 83.34084 5.646337  1543.868       196.4923 1647.350       
271.1805 1429.486       285.1062 86.56597 7.461607 80.11571 8.476374 6.450264 
11.29267 
1 1 1 20  -1  19 o 75.57623 6.124048  1287.553       194.1624 1284.397       
269.3409 1290.968       280.1523 75.58263 8.487920 75.56983 8.830122 
0.1280212E-01  12.24810 
1 1 1 20  -1  20 o 80.94260 6.991708  1486.509       234.1332 1222.617       
304.1864 1870.113       366.7489 72.26022 10.02678 89.62498 9.746771 -17.36477 
13.98342 
1 1 1 20  -1  21 o 27.12214 8.327699  50.67380       176.6727 13.54230       
248.0261 88.91974       251.7206 26.07562 11.52273 28.16867 12.02618 -2.093056 
16.65540 
1 1 1 20  -1  22 o 48.20973 8.237391  615.7220       164.2458 549.0418       
255.6816 662.5704       214.3129 44.79455 12.89605 51.62491 10.25233 -6.830360 
16.47478 
1 1 1 20  -1  23 o 31.11082 9.446914  177.2361       219.3806 168.8523       
345.3298 182.9091       284.0675 31.55982 13.78673 30.66182 12.91909 0.8979969 
18.89383 
1 1 1 20  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  -1  25 o 35.34265 9.495414  384.6942       193.7218 360.2761       
321.9141 398.5575       242.5581 34.37036 14.04795 36.31494 12.77915 -1.944584 
18.99083 
1 1 1 20  -1  26 o 60.18098 9.447125  746.0566       220.6922 2322.485       
503.0816 370.3950       245.5839 86.02887 13.92885 34.33308 12.76635 51.69579 
18.89425 
1 1 1 20  -1  27 o 28.42350 8.828337  190.7682       196.0791 327.7853       
324.6361 112.0742       246.0255 31.31895 13.52096 25.52805 11.35526 5.790907 
17.65667 
1 1 1 20  -1  28 o 24.03724 7.773236  25.02859       201.1880 -451.1715      
345.5237 269.2937       247.4651 19.77386 9.886930 28.30062 11.99756 -8.526758 
15.54647 
1 1 1 20  -1  29 o 23.04633 7.604374  77.69660       183.4272 -16.22551      
275.7369 152.2521       245.6694 21.80451 10.46262 24.28815 11.03810 -2.483639 
15.20875 
1 1 1 20  0   0  o 55.00367 5.749521  655.7108       126.8046 838.5218       
185.0177 493.7745       174.1342 62.78418 7.019145 47.22316 9.108213 15.56102 
11.49904 
1 1 1 20  0   1  o 82.16983 4.825316  1421.365       164.8419 1342.210       
216.1376 1531.426       254.8630 79.51260 6.474637 84.82706 7.156382 -5.314453 
9.650633 
1 1 1 20  0   2  o 92.47932 4.594302  1801.504       177.6167 1602.976       
240.0178 2041.829       264.0783 86.87811 6.580428 98.08053 6.413144 -11.20242 
9.188604 
1 1 1 20  0   3  o 128.0780 4.877076  3473.934       248.6487 3531.775       
426.9444 3444.246       305.8753 128.6260 7.906126 127.5301 5.712849 1.095863 
9.754152 
1 1 1 20  0   4  o 106.5148 4.837450  2417.414       215.5218 2337.120       
315.5217 2487.646       295.0908 104.7867 7.172062 108.2429 6.493475 -3.456200 
9.674900 
1 1 1 20  0   5  o 115.2324 4.557351  2821.406       219.5806 2790.525       
324.5066 2847.487       298.2232 114.5887 6.745323 115.8760 6.130122 -1.287247 
9.114701 
1 1 1 20  0   6  o 53.07770 5.839055  615.0529       124.7701 586.0425       
192.5580 636.0480       163.8105 51.49160 9.242856 54.66379 7.137777 -3.172192 
11.67811 
1 1 1 20  0   7  o 112.2379 4.789419  2671.651       225.2516 2451.286       
310.8622 2915.259       326.8464 107.3508 6.897374 117.1251 6.646832 -9.774338 
9.578838 
1 1 1 20  0   8  o 151.2545 6.299447  4919.540       398.9314 4788.897       
581.2906 5035.853       548.4860 149.2104 9.279298 153.2986 8.522133 -4.088181 
12.59889 
1 1 1 20  0   9  o 51.87566 6.557214  627.7496       131.7012 452.4391       
210.0723 741.2752       169.0486 44.73490 11.19992 59.01642 6.822755 -14.28152 
13.11443 
1 1 1 20  0   10 o 150.4161 5.799494  4816.038       357.2698 4697.841       
455.1718 5005.715       576.6071 148.3516 7.308092 152.4807 9.007127 -4.129013 
11.59899 
1 1 1 20  0   11 o 20.53658 6.721484  -245.0552      141.9260 -10.56863      
214.9112 -426.4133      189.0029 25.43166 10.99051 15.64149 7.740941 9.790176 
13.44297 
1 1 1 20  0   12 o 88.62932 5.393450  1720.952       195.3773 1494.826       
300.3464 1886.834       257.2445 83.21416 8.596987 94.04448 6.515292 -10.83031 
10.78690 
1 1 1 20  0   13 o 105.8447 4.729699  2386.885       208.6053 2318.981       
276.8854 2476.025       317.2401 104.2152 6.328342 107.4741 7.030810 -3.258850 
9.459398 
1 1 1 20  0   14 f 42.56389 7.119478  387.5749       142.3441 123.2270       
194.0290 695.6598       209.4661 28.60918 11.17234 56.51861 8.827616 -27.90943 
14.23896 
1 1 1 20  0   15 o 96.45436 5.265762  2047.541       205.0635 2163.581       
261.5786 1862.512       330.3061 100.4924 6.199978 92.41634 8.513123 8.076027 
10.53152 
1 1 1 20  0   16 o 89.70204 4.945500  1767.756       181.9407 1565.908       
278.7567 1917.560       240.1452 84.84585 7.825565 94.55824 6.049167 -9.712387 
9.891001 
1 1 1 20  0   17 o 23.81955 7.421791  -76.18129      151.9180 76.96683       
214.8812 -229.2248      214.8077 27.59480 11.40740 20.04431 9.497532 7.550486 
14.84358 
1 1 1 20  0   18 o 82.69791 5.559350  1515.016       189.7502 1583.986       
250.5353 1422.229       290.5930 85.30757 6.995237 80.08824 8.642463 5.219330 
11.11870 
1 1 1 20  0   19 o 94.99979 4.999954  1912.656       192.9318 1737.172       
239.7681 2234.969       324.9453 89.38757 6.389036 100.6120 7.692749 -11.22443 
9.999908 
1 1 1 20  0   20 o 30.15194 8.541107  148.7042       161.0203 197.5875       
257.2026 117.1963       206.4926 32.35777 12.80001 27.94610 11.31202 4.411669 
17.08221 
1 1 1 20  0   21 o 24.92273 7.812251  -82.40079      174.9635 -313.9689      
250.8669 136.9181       244.1417 20.23396 9.773677 29.61150 12.19017 -9.377539 
15.62450 
1 1 1 20  0   22 o 42.17573 9.334682  479.3604       184.8718 421.7517       
262.2739 536.2495       260.6304 39.71415 13.32583 44.63730 13.07545 -4.923145 
18.66936 
1 1 1 20  0   23 o 27.72214 8.546585  76.42474       186.7952 59.16250       
274.4483 91.32288       254.9633 27.64580 12.18107 27.79848 11.99158 
-0.1526890     17.09317 
1 1 1 20  0   24 o 57.33281 8.818282  923.1802       198.4127 812.5649       
347.4039 976.7287       241.7132 51.00293 15.14145 63.66269 9.043498 -12.65976 
17.63656 
1 1 1 20  0   25 o 35.95333 13.29967  382.4398       265.8421 0.000000       
0.000000 382.4398       265.8421 ?        ?        35.95333 13.29967 ? ? 
1 1 1 20  0   26 o 33.46235 9.516870  341.5562       213.8627 161.4048       
390.7406 418.6045       255.5356 30.31454 13.81522 36.61016 13.09286 -6.295624 
19.03374 
1 1 1 20  0   27 o 21.21458 7.177789  -235.2727      198.3865 -817.3915      
357.8093 23.10668       238.3827 18.66003 9.433228 23.76913 10.82113 -5.109102 
14.35558 
1 1 1 20  0   28 o 35.88717 9.041273  443.8629       215.6660 12.12066       
327.6743 773.8264       286.4594 24.98484 11.79191 46.78951 13.70873 -21.80467 
18.08255 
1 1 1 20  0   29 o 24.73877 8.085437  98.44021       199.9400 -64.89895      
271.8381 290.9420       295.1091 21.43907 10.31176 28.03847 12.45652 -6.599398 
16.17087 
1 1 1 20  1   0  o 110.2271 5.045678  2578.667       232.9701 2489.706       
316.9667 2683.193       343.5790 108.1976 6.977778 112.2567 7.290136 -4.059082 
10.09136 
1 1 1 20  1   1  o 27.38681 7.210502  114.4362       107.7073 178.6962       
181.1917 79.32146       133.9408 30.84462 11.02558 23.92900 9.295269 6.915623 
14.42100 
1 1 1 20  1   2  o 75.48917 5.242826  1211.328       165.6779 1346.579       
239.9449 1088.088       229.0429 79.54134 7.185213 71.43700 7.636858 8.104347 
10.48565 
1 1 1 20  1   3  o 118.5791 4.653670  2856.189       225.8760 3605.632       
373.8647 2425.378       283.4579 130.2414 6.837327 106.9167 6.314866 23.32475 
9.307340 
1 1 1 20  1   4  o 96.97910 3.908974  1983.032       158.7885 2100.046       
234.5018 1883.951       215.7854 99.59963 5.608021 94.35857 5.447056 5.241058 
7.817948 
1 1 1 20  1   5  o 95.15237 4.435128  1849.530       173.8486 2360.285       
279.3102 1526.524       222.1190 105.4725 6.307662 84.83220 6.236572 20.64034 
8.870255 
1 1 1 20  1   6  o 43.33016 6.679780  408.1131       129.4017 709.0308       
188.7556 141.2818       177.7437 57.64492 7.799375 29.01539 10.84655 28.62953 
13.35956 
1 1 1 20  1   7  o 94.26988 4.470592  1880.033       173.6565 1915.979       
274.2504 1855.975       224.3669 94.92587 6.881508 93.61389 5.708730 1.311981 
8.941183 
1 1 1 20  1   8  o 48.89340 6.309125  518.1293       126.3581 446.4181       
172.1644 601.8614       186.0354 44.75055 9.455954 53.03625 8.354950 -8.285706 
12.61825 
1 1 1 20  1   9  o 29.49063 7.989385  134.5676       138.0610 125.2028       
205.5905 142.2594       186.3236 29.57086 11.51011 29.41041 11.08325 0.1604481 
15.97877 
1 1 1 20  1   10 o 67.34200 6.515969  1037.827       167.4549 650.8661       
242.1659 1392.392       231.8076 53.79470 11.10131 80.88929 6.825865 -27.09459 
13.03194 
1 1 1 20  1   11 o 140.7883 5.517409  4228.205       304.8829 4273.879       
537.1011 4206.491       370.3302 140.8811 9.080809 140.6954 6.269459 0.1856079 
11.03482 
1 1 1 20  1   12 o 82.59529 5.255923  1446.156       180.8035 1212.475       
244.4072 1728.613       268.7062 75.22693 7.738590 89.96366 7.114292 -14.73673 
10.51185 
1 1 1 20  1   13 o 126.6714 5.146392  3470.805       258.8390 3546.535       
320.2402 3328.107       439.5904 129.1159 5.907683 124.2269 8.428564 4.889008 
10.29278 
1 1 1 20  1   14 o 104.1542 4.847277  2322.358       211.5194 2306.507       
289.5456 2340.497       309.7418 103.8368 6.641815 104.4716 7.061917 
-0.6348114     9.694553 
1 1 1 20  1   15 o 94.65822 4.754377  1870.793       182.6730 2122.348       
307.0136 1732.929       227.2827 99.24681 7.368212 90.06963 6.010478 9.177177 
9.508754 
1 1 1 20  1   16 o 29.27526 7.511051  -21.69553      157.9697 384.2758       
225.7046 -411.5183      221.1701 40.74251 12.22679 17.80801 8.727501 22.93450 
15.02210 
1 1 1 20  1   17 o 54.34597 7.899281  686.7867       174.0481 685.7941       
246.7257 687.7700       245.5607 54.28934 11.20711 54.40260 11.13532 
-0.1132584     15.79856 
1 1 1 20  1   18 o 51.44343 8.069509  613.9709       175.4318 426.9854       
241.5247 822.7942       255.2389 42.32379 12.63726 60.56307 10.03830 -18.23928 
16.13902 
1 1 1 20  1   19 o 61.15978 7.525098  911.1465       172.6563 1001.978       
212.5322 734.8607       296.0842 67.62656 7.485633 54.69300 13.05656 12.93356 
15.05020 
1 1 1 20  1   20 o 40.84031 9.204000  401.6311       185.5747 249.8998       
261.3187 556.0003       263.5804 34.56324 13.09617 47.11738 12.93619 -12.55414 
18.40800 
1 1 1 20  1   21 o 41.71412 8.643654  416.3471       183.1676 703.6415       
260.0457 133.4627       258.0421 53.18447 11.94005 30.24375 12.50145 22.94072 
17.28731 
1 1 1 20  1   22 o 34.96091 8.948117  276.5573       178.5727 431.1721       
251.4514 119.2360       253.6426 40.64997 13.03291 29.27186 12.26452 11.37810 
17.89623 
1 1 1 20  1   23 o 57.94169 8.284513  851.6612       189.9687 821.8830       
241.2848 900.2209       308.1195 57.76545 10.32124 58.11792 12.96166 
-0.3524704     16.56903 
1 1 1 20  1   24 o 37.84428 9.416882  397.3369       190.4919 290.3697       
278.2582 491.6852       261.3303 33.99855 13.35643 41.69000 13.27842 -7.691452 
18.83376 
1 1 1 20  1   25 o 54.57720 9.091138  839.4268       205.0711 894.1815       
295.1405 788.3176       285.1463 56.52292 12.74163 52.63148 12.97097 3.891438 
18.18228 
1 1 1 20  1   26 o 46.72777 11.13181  731.1419       243.8225 906.4520       
457.0192 661.3903       288.2757 47.43798 17.45522 46.01756 13.81969 1.420425 
22.26361 
1 1 1 20  1   27 o 47.30639 17.12975  945.7640       438.6055 945.7640       
438.6055 0.000000       0.000000 47.30639 17.12975 ?        ?        ? ? 
1 1 1 20  1   28 o 23.71594 7.957169  -72.86461      213.8372 -152.3917      
315.8896 -5.596866      290.5234 22.98683 11.07077 24.44506 11.43260 -1.458227 
15.91434 
1 1 1 20  1   29 o 23.08162 7.737931  -107.5573      205.7258 -385.8481      
280.8401 214.7066       302.2146 18.57685 9.236469 27.58639 12.41732 -9.009533 
15.47586 
1 1 1 20  1   30 o 23.77044 7.882739  81.80298       203.0255 207.4738       
281.4524 -54.52874      293.1475 25.80394 11.75034 21.73693 10.51093 4.067013 
15.76548 
1 1 1 20  2   0  o 97.42670 4.427967  2010.820       180.8503 2061.977       
264.2817 1965.767       248.0146 98.57008 6.386208 96.28331 6.135463 2.286774 
8.855933 
1 1 1 20  2   1  f 82.73816 4.768869  1426.414       160.9206 1342.589       
202.1482 1571.430       265.8843 79.58202 6.050288 85.89429 7.373090 -6.312263 
9.537738 
1 1 1 20  2   2  o 88.56794 3.750728  1647.469       138.8532 1782.997       
208.6831 1539.798       186.0041 91.79949 5.414622 85.33639 5.191696 6.463104 
7.501455 
1 1 1 20  2   3  o 140.0302 5.501296  4158.701       313.2485 4085.523       
395.0194 4282.684       514.1730 138.6494 6.786117 141.4110 8.660581 -2.761597 
11.00259 
1 1 1 20  2   4  o 108.7001 5.216583  2491.296       236.4763 2735.227       
360.7403 2307.488       313.1438 113.2737 7.585542 104.1266 7.163136 9.147125 
10.43317 
1 1 1 20  2   5  o 68.43860 4.513717  986.9916       127.8980 1035.374       
200.0714 953.5567       166.3195 69.79330 6.827983 67.08389 5.905356 2.709412 
9.027434 
1 1 1 20  2   6  o 114.3183 4.206766  2727.283       198.9556 3010.756       
314.7065 2538.562       256.7799 119.1269 6.292407 109.5097 5.585081 9.617195 
8.413531 
1 1 1 20  2   7  o 68.04961 4.855836  986.3664       134.9119 976.0091       
217.0596 992.8862       172.2176 67.65604 7.641761 68.44318 5.993335 
-0.7871323     9.711672 
1 1 1 20  2   8  o 32.48411 7.529576  194.2917       134.6194 -4.325681      
198.9564 362.0089       182.8260 24.77601 10.63831 40.19221 10.65854 -15.41621 
15.05915 
1 1 1 20  2   9  o 28.85544 7.781955  107.0052       134.1542 217.6924       
203.7324 22.27033       178.2552 33.35043 11.71422 24.36046 10.24755 8.989965 
15.56391 
1 1 1 20  2   10 o 97.07887 4.518222  2036.517       180.0525 1796.719       
275.2339 2215.911       238.0579 91.85759 7.136873 102.3001 5.542776 -10.44256 
9.036444 
1 1 1 20  2   11 o 84.61140 5.093738  1534.675       179.5576 1616.355       
243.6792 1437.637       265.6004 87.18208 6.657516 82.04074 7.711169 5.141335 
10.18748 
1 1 1 20  2   12 o 124.5387 5.319098  3265.925       270.7255 3114.687       
342.0686 3519.469       442.9034 120.9510 6.736355 128.1263 8.233634 -7.175385 
10.63820 
1 1 1 20  2   13 o 83.78728 5.139458  1497.718       180.3976 1365.467       
249.5783 1642.406       261.0498 79.88542 7.441497 87.68914 7.090855 -7.803719 
10.27892 
1 1 1 20  2   14 o 109.4013 5.231357  2564.746       239.9439 2539.839       
330.0529 2592.664       349.4403 108.8930 7.219459 109.9096 7.572833 -1.016609 
10.46271 
1 1 1 20  2   15 o 79.53400 6.220904  1338.633       205.0842 1128.722       
266.8011 1641.785       320.6266 72.10058 8.813938 86.96742 8.781404 -14.86684 
12.44181 
1 1 1 20  2   16 o 101.5949 5.814564  2235.124       247.5428 2052.803       
342.2705 2435.086       358.4461 97.19282 8.387960 105.9970 8.054734 -8.804199 
11.62913 
1 1 1 20  2   17 o 45.37052 8.483750  483.3928       164.3849 447.5055       
232.0607 519.5377       232.8922 43.67246 12.19475 47.06857 11.79763 -3.396111 
16.96750 
1 1 1 20  2   18 o 42.46181 8.133016  408.5505       147.2979 523.0823       
232.9563 332.2592       190.1292 47.03332 11.80558 37.89031 11.18982 9.143013 
16.26603 
1 1 1 20  2   19 o 60.28907 6.261980  802.6208       158.2032 851.9033       
232.5738 760.1791       215.8296 61.97593 8.938382 58.60221 8.772394 3.373714 
12.52396 
1 1 1 20  2   20 o 34.09504 8.946006  224.7375       172.0807 134.7555       
227.9695 343.9116       262.3552 29.77656 11.95459 38.41352 13.31209 -8.636967 
17.89201 
1 1 1 20  2   21 o 55.72459 8.290586  739.2044       196.6652 390.3852       
263.7274 1176.172       295.1751 39.83113 13.36271 71.61806 9.816987 -31.78694 
16.58117 
1 1 1 20  2   22 o 33.33827 9.121250  231.8180       182.2200 282.7135       
261.9628 184.1070       253.6349 35.13092 13.16086 31.54562 12.63252 3.585299 
18.24250 
1 1 1 20  2   23 o 29.52979 8.478996  152.5593       165.8982 199.6213       
218.1885 88.06763       255.4162 30.75285 11.88068 28.30673 12.10054 2.446121 
16.95799 
1 1 1 20  2   24 o 38.76809 9.684687  413.1860       201.0190 309.6414       
297.1375 500.5694       272.9658 35.22155 13.81119 42.31463 13.58027 -7.093075 
19.36937 
1 1 1 20  2   25 o 28.44578 8.436563  123.5582       177.4070 -22.36412      
264.3194 243.1849       239.3217 25.15845 11.43783 31.73310 12.40478 -6.574646 
16.87313 
1 1 1 20  2   26 f 32.51537 8.951494  270.3706       175.6517 363.8549       
266.9972 199.0366       233.2307 35.47167 13.28708 29.55908 11.99877 5.912590 
17.90299 
1 1 1 20  2   27 o 34.03069 9.971845  199.0995       207.8317 761.4973       
423.8005 21.02087       238.4765 43.76017 16.64942 24.30120 10.97942 19.45898 
19.94369 
1 1 1 20  2   28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  2   29 o 21.76035 7.406473  -149.0513      198.1675 -218.5916      
272.0361 -70.42709      289.2585 20.47024 9.955313 23.05046 10.96882 -2.580227 
14.81295 
1 1 1 20  2   30 o 22.32392 7.572664  -65.22085      205.0724 -207.3659      
283.1581 91.58067       297.3981 20.12726 9.867640 24.52058 11.48959 -4.393324 
15.14533 
1 1 1 20  2   31 o 27.85422 8.905064  321.3233       223.2451 417.8401       
329.7655 239.6650       303.3220 29.48193 13.12930 26.22651 12.03421 3.255417 
17.81013 
1 1 1 20  3   0  f 101.7849 4.554106  2184.527       192.0728 2287.544       
299.4814 2112.545       250.3400 103.7310 6.876737 99.83887 5.972438 3.892120 
9.108212 
1 1 1 20  3   1  o 20.83329 6.504517  -60.60586      114.2758 15.77230       
161.6586 -136.8929      161.5621 23.07644 9.735553 18.59013 8.628673 4.486319 
13.00903 
1 1 1 20  3   2  o 180.5830 6.938374  7032.188       525.1115 7193.981       
727.0040 6855.708       759.2871 182.9160 9.466866 178.2500 10.14606 4.665970 
13.87675 
1 1 1 20  3   3  o 138.7643 4.805113  4102.291       277.8134 4009.583       
416.7184 4176.458       372.7269 137.2358 7.232630 140.2927 6.328151 -3.056870 
9.610226 
1 1 1 20  3   4  o 140.9737 5.331190  4304.399       298.1094 4458.989       
369.8121 4017.539       503.7631 145.0220 6.073908 136.9254 8.763217 8.096680 
10.66238 
1 1 1 20  3   5  o 108.4328 4.385770  2474.688       198.8553 2787.092       
295.7111 2216.794       268.6766 114.6425 6.143881 102.2230 6.260401 12.41950 
8.771540 
1 1 1 20  3   6  o 161.9344 5.618417  5570.363       361.5317 5685.821       
623.3504 5511.839       443.7988 162.7612 9.122258 161.1077 6.561316 1.653549 
11.23683 
1 1 1 20  3   7  f 84.01396 4.404445  1534.411       150.5624 1315.247       
233.5711 1690.221       196.9394 78.62679 7.075705 89.40112 5.246994 -10.77433 
8.808890 
1 1 1 20  3   8  o 122.7280 4.011059  3152.843       204.9371 3464.786       
315.5503 2925.281       269.5136 127.8794 5.877450 117.5766 5.459851 10.30279 
8.022119 
1 1 1 20  3   9  o 62.95102 5.831965  846.6029       154.0367 889.7445       
220.8268 805.7183       214.9728 64.52509 8.151625 61.37696 8.342559 3.148129 
11.66393 
1 1 1 20  3   10 o 38.48434 8.118873  323.6129       141.6523 384.3177       
206.9426 270.0948       194.3071 41.39735 11.50169 35.57134 11.46192 5.826008 
16.23775 
1 1 1 20  3   11 o 86.29350 5.041021  1576.287       181.2749 1659.960       
276.3815 1513.117       240.1440 88.23306 7.461030 84.35396 6.780900 3.879097 
10.08204 
1 1 1 20  3   12 f 63.55322 5.412925  838.5894       142.2794 1014.487       
226.0157 723.1293       183.1157 68.89680 7.813772 58.20965 7.492930 10.68715 
10.82585 
1 1 1 20  3   13 o 55.54414 6.655304  686.4054       148.9992 819.6417       
208.1007 546.2526       213.4338 61.85537 8.013407 49.23292 10.62815 12.62244 
13.31061 
1 1 1 20  3   14 o 28.61316 8.113859  94.97670       149.7801 138.2575       
203.3155 43.61147       221.4917 29.82520 11.47972 27.40111 11.46973 2.424097 
16.22772 
1 1 1 20  3   15 o 53.89539 7.137722  646.3896       155.7857 638.6761       
240.9505 651.9299       204.2087 52.92553 11.18897 54.86524 8.865393 -1.939709 
14.27544 
1 1 1 20  3   16 o 30.97999 8.658245  122.9787       169.1018 39.54475       
231.1199 219.1000       248.0710 27.58754 11.63981 34.37245 12.82091 -6.784910 
17.31649 
1 1 1 20  3   17 o 105.2314 5.695459  2402.322       251.5692 2385.055       
351.6147 2420.432       360.0817 104.8731 7.985903 105.5897 8.122706 
-0.7165756     11.39092 
1 1 1 20  3   18 o 88.56186 6.163507  1724.622       224.3984 1686.419       
352.3287 1750.696       291.0689 87.33300 9.609277 89.79073 7.721210 -2.457726 
12.32701 
1 1 1 20  3   19 o 74.28161 5.709915  1211.492       176.0303 1177.235       
267.4720 1237.666       233.8006 73.10310 8.714926 75.46012 7.379877 -2.357025 
11.41983 
1 1 1 20  3   20 o 77.42445 6.040594  1302.633       193.7042 1187.972       
250.3679 1473.608       305.7302 73.44999 8.119102 81.39893 8.946243 -7.948936 
12.08119 
1 1 1 20  3   21 o 75.00499 6.884120  1256.476       211.8775 1666.051       
320.1560 937.3052       282.6220 86.20424 8.846147 63.80575 10.55036 22.39849 
13.76824 
1 1 1 20  3   22 o 29.11533 8.742424  74.96980       187.2269 152.7132       
271.5883 4.562348       258.4571 31.36663 12.87555 26.86403 11.82963 4.502600 
17.48485 
1 1 1 20  3   23 o 32.81298 8.586358  224.4997       161.5441 112.6885       
219.3011 357.1520       238.8666 27.96686 11.54005 37.65910 12.71729 -9.692236 
17.17272 
1 1 1 20  3   24 o 46.36017 8.718493  549.4338       164.8532 618.4217       
290.6729 516.7220       200.1570 47.31667 13.79191 45.40366 10.66920 1.913013 
17.43699 
1 1 1 20  3   25 o 33.66423 8.640168  289.2953       158.5905 318.0414       
216.3658 255.9211       233.1332 34.88094 12.08903 32.44753 12.34769 2.433414 
17.28034 
1 1 1 20  3   26 o 26.59405 8.236987  73.29760       175.2012 64.24880       
256.4657 81.21560       239.9063 26.65097 11.75475 26.53713 11.54199 0.1138344 
16.47397 
1 1 1 20  3   27 o 30.82607 8.835343  234.2497       176.8033 277.7860       
269.3165 201.2753       234.3827 32.23787 12.97246 29.41426 11.99868 2.823610 
17.67069 
1 1 1 20  3   28 o 43.92637 8.989381  588.2292       183.9922 798.0429       
267.8707 400.8267       253.1606 52.07674 12.41062 35.77599 13.00817 16.30075 
17.97876 
1 1 1 20  3   29 o 27.67858 8.905217  128.2421       228.8113 61.82583       
331.0293 189.0049       316.6271 26.61578 12.35279 28.74138 12.83044 -2.125597 
17.81043 
1 1 1 20  3   30 o 28.10280 8.783869  224.3632       203.6750 148.4989       
276.8256 313.8998       300.7377 26.17346 11.82711 30.03214 12.99019 -3.858679 
17.56774 
1 1 1 20  3   31 o 29.12585 8.573697  247.4199       142.5000 579.5222       
323.0006 167.1593       158.7884 34.01480 14.01525 24.23690 9.879573 9.777903 
17.14739 
1 1 1 20  4   0  o 36.50736 7.059165  293.9851       114.9113 195.1248       
161.9840 394.1377       163.0393 30.99391 10.47256 42.02081 9.468513 -11.02690 
14.11833 
1 1 1 20  4   1  o 94.72726 4.477708  1888.736       177.3497 2095.979       
265.3853 1721.497       238.4000 99.38018 6.360602 90.07436 6.304144 9.305824 
8.955417 
1 1 1 20  4   2  o 91.65767 4.092621  1779.919       157.0284 1605.642       
219.5575 1962.412       224.6741 87.03159 6.008866 96.28375 5.558033 -9.252167 
8.185243 
1 1 1 20  4   3  o 34.56553 7.476045  259.6592       118.5014 271.6146       
171.2315 248.6702       164.1644 35.24688 10.66417 33.88418 10.48048 1.362698 
14.95209 
1 1 1 20  4   4  o 66.38524 4.906629  937.0478       136.7227 927.8399       
191.0350 946.7170       195.7617 66.05724 6.888324 66.71324 6.989351 
-0.6560059     9.813258 
1 1 1 20  4   5  o 63.87665 4.923854  829.8790       129.1253 672.3849       
163.8311 1088.154       209.8000 56.22863 6.940006 71.52466 6.986678 -15.29602 
9.847708 
1 1 1 20  4   6  o 24.34411 7.070815  -1.826910      124.7361 144.2005       
179.8906 -137.0559      173.1116 29.23724 10.91535 19.45098 8.991153 9.786263 
14.14163 
1 1 1 20  4   7  o 37.67038 6.791088  333.3113       118.2454 125.8422       
193.5788 456.7992       149.3460 29.05999 11.19809 46.28077 7.686240 -17.22079 
13.58218 
1 1 1 20  4   8  o 101.4781 4.766262  2088.767       188.2699 2454.619       
348.4045 1937.874       223.7518 107.2741 7.735884 95.68215 5.570019 11.59194 
9.532523 
1 1 1 20  4   9  o 161.5992 5.669723  5572.528       384.2661 5668.802       
558.1062 5485.752       529.8621 162.8756 8.161725 160.3229 7.872057 2.552628 
11.33945 
1 1 1 20  4   10 o 69.94202 5.514298  1071.576       156.1529 1369.043       
218.5512 761.3506       223.1889 80.30083 6.482675 59.58320 8.922156 20.71763 
11.02860 
1 1 1 20  4   11 f 75.11446 4.814861  1203.103       146.5868 1185.605       
239.9446 1213.522       185.1561 74.55040 7.666233 75.67850 5.827558 -1.128105 
9.629723 
1 1 1 20  4   12 o 53.20446 6.610883  619.4805       144.1901 643.9464       
199.7617 592.8684       208.3398 54.79948 8.682738 51.60944 9.971216 3.190041 
13.22177 
1 1 1 20  4   13 o 44.10145 7.528811  440.5980       152.8582 673.9963       
209.3688 174.1791       223.6895 55.99815 8.905520 32.20475 12.14182 23.79340 
15.05762 
1 1 1 20  4   14 o 48.58382 8.774209  540.5914       179.9193 570.1564       
251.5294 509.6152       257.4630 49.96500 12.10161 47.20265 12.70819 2.762356 
17.54842 
1 1 1 20  4   15 o 102.0469 5.834161  2202.779       247.3520 1983.317       
322.6212 2515.761       385.2765 96.06269 7.999432 108.0311 8.494636 -11.96843 
11.66832 
1 1 1 20  4   16 o 43.18166 8.782951  426.6105       169.0534 355.2830       
237.3457 500.0586       240.8480 39.84855 12.65063 46.51476 12.18699 -6.666206 
17.56590 
1 1 1 20  4   17 o 53.22691 7.734483  665.2519       170.2904 396.1171       
245.1938 916.0326       236.6856 41.56119 12.79904 64.89262 8.687553 -23.33144 
15.46897 
1 1 1 20  4   18 o 74.12213 5.143651  1186.121       159.9945 1235.250       
228.0307 1138.483       224.5424 75.66054 7.178686 72.58372 7.368519 3.076820 
10.28730 
1 1 1 20  4   19 o 40.90820 8.432672  396.3058       157.4268 292.6137       
236.4196 478.9074       211.0110 36.58326 12.64091 45.23314 11.16455 -8.649879 
16.86534 
1 1 1 20  4   20 o 82.66872 5.599247  1501.988       193.4388 1412.212       
281.3888 1582.428       266.3572 80.11959 8.365447 85.21783 7.444833 -5.098244 
11.19849 
1 1 1 20  4   21 o 73.30205 7.018625  1222.650       213.3249 1432.600       
302.3660 1014.575       301.0126 80.08120 8.993391 66.52290 10.77791 13.55830 
14.03725 
1 1 1 20  4   22 o 95.08315 7.172749  2075.135       285.2360 1846.955       
394.6355 2324.735       412.7425 89.30210 10.52581 100.8642 9.746825 -11.56210 
14.34550 
1 1 1 20  4   23 f 83.18965 5.818213  1542.127       189.4077 1613.127       
336.3715 1509.163       229.1975 83.54269 9.590291 82.83661 6.590353 0.7060852 
11.63643 
1 1 1 20  4   24 o 47.69218 9.113743  590.3100       185.3898 683.0991       
285.3259 522.5164       243.8859 50.66299 13.26038 44.72138 12.50614 5.941605 
18.22749 
1 1 1 20  4   25 o 36.81238 9.221688  352.8441       179.4758 428.4831       
261.8542 285.8278       246.4773 39.60351 13.31517 34.02125 12.76183 5.582264 
18.44338 
1 1 1 20  4   26 o 23.04668 7.535116  -87.43591      172.7219 -164.1694      
265.2959 -30.98134      227.5557 22.59483 10.64817 23.49853 10.66435 
-0.9037018     15.07023 
1 1 1 20  4   27 o 26.23553 8.158896  71.31084       173.7410 31.30660       
266.4571 100.8983       229.1543 25.95999 11.67384 26.51108 11.40139 
-0.5510941     16.31779 
1 1 1 20  4   28 o 30.45058 8.721739  234.5184       175.8493 164.5544       
251.4814 301.4586       245.9867 28.32070 12.05354 32.58047 12.60901 -4.259768 
17.44348 
1 1 1 20  4   29 o 41.34539 9.186743  555.5511       191.3619 750.3424       
267.1299 350.2163       274.2641 49.42571 12.78153 33.26507 13.19915 16.16064 
18.37349 
1 1 1 20  4   30 o 25.47429 8.331501  64.05120       209.1629 -23.40256      
342.4159 116.1063       264.1778 25.05929 11.92924 25.88930 11.63395 
-0.8300133     16.66300 
1 1 1 20  4   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  4   32 o 23.37639 7.510914  123.9928       153.7734 37.08201       
319.4361 150.2083       175.4390 23.22086 11.17105 23.53192 10.04305 
-0.3110600     15.02183 
1 1 1 20  5   0  o 40.30130 6.647935  350.7518       108.9399 296.7889       
139.6415 434.6672       174.1355 36.48339 9.129807 44.11920 9.665754 -7.635803 
13.29587 
1 1 1 20  5   1  o 163.9847 5.645928  5779.542       372.7820 5878.586       
467.9203 5607.457       616.7770 166.3332 6.700604 161.6361 9.088889 4.697083 
11.29186 
1 1 1 20  5   2  o 80.29327 4.651952  1373.081       156.3731 1455.530       
217.9918 1285.683       224.4390 82.82627 6.268927 77.76028 6.874823 5.065987 
9.303904 
1 1 1 20  5   3  o 75.52865 4.672326  1210.231       148.0257 1283.707       
213.3013 1141.971       205.5913 77.74694 6.534784 73.31036 6.679754 4.436584 
9.344652 
1 1 1 20  5   4  o 124.0479 4.669455  3267.089       243.0964 3148.369       
339.8633 3391.459       347.8564 121.7313 6.650023 126.3645 6.556862 -4.633209 
9.338910 
1 1 1 20  5   5  o 145.8574 4.962828  4547.449       302.4146 4899.919       
419.6131 4166.513       436.2281 151.8836 6.580506 139.8311 7.430718 12.05243 
9.925655 
1 1 1 20  5   6  o 118.5420 4.849475  2996.202       239.5086 3063.105       
321.6991 2913.000       358.7552 120.1323 6.378388 116.9517 7.306559 3.180687 
9.698951 
1 1 1 20  5   7  o 72.88525 5.236867  1141.328       158.3760 1056.319       
237.3758 1209.530       212.6187 70.32296 8.040080 75.44756 6.712392 -5.124596 
10.47373 
1 1 1 20  5   8  o 136.4380 5.275804  3967.210       288.1546 3963.557       
486.7191 3969.182       357.5508 136.0827 8.519156 136.7933 6.225785 
-0.7105560     10.55161 
1 1 1 20  5   9  o 94.47505 4.852748  1861.062       189.0700 2087.233       
303.0257 1716.884       241.9409 99.00901 7.289971 89.94109 6.407260 9.067924 
9.705496 
1 1 1 20  5   10 o 93.31949 4.882669  1852.198       191.1076 1866.096       
265.0314 1837.145       275.8257 93.71291 6.736262 92.92608 7.069980 0.7868271 
9.765339 
1 1 1 20  5   11 o 178.2724 5.102214  6767.355       381.7932 6899.507       
538.5392 6633.823       541.3459 180.0538 7.124199 176.4909 7.305899 3.562943 
10.20443 
1 1 1 20  5   12 o 149.8994 5.517577  4687.877       306.2642 4569.137       
355.2701 5031.426       604.3028 146.8565 5.762177 152.9423 9.411266 -6.085815 
11.03515 
1 1 1 20  5   13 o 52.26135 7.438170  626.4210       157.1686 738.5455       
207.5745 475.7726       240.6057 58.71353 8.420867 45.80917 12.26354 12.90435 
14.87634 
1 1 1 20  5   14 o 68.25975 6.122135  1008.566       169.4360 1032.503       
215.1349 969.4640       274.9638 69.54886 7.367871 66.97065 9.779398 2.578209 
12.24427 
1 1 1 20  5   15 o 64.07960 6.161021  841.3802       161.0189 710.1793       
200.6596 1078.641       269.8390 57.48096 8.314897 70.67823 9.093691 -13.19727 
12.32204 
1 1 1 20  5   16 o 52.14207 7.780503  614.9379       164.1287 647.9548       
247.6654 589.0827       219.1651 53.28293 11.40241 51.00120 10.58914 2.281727 
15.56101 
1 1 1 20  5   17 o 35.99680 7.363519  163.1470       153.0595 604.4808       
233.7797 -167.9651      202.4933 51.34626 11.15692 20.64734 9.612952 30.69892 
14.72704 
1 1 1 20  5   18 o 57.32897 7.074290  739.5565       164.5412 699.0856       
246.9773 771.8551       220.6369 55.18850 11.04942 59.46944 8.837010 -4.280941 
14.14858 
1 1 1 20  5   19 o 94.80710 5.009763  1944.083       198.8580 1786.249       
281.6674 2100.935       280.7901 90.84989 7.384707 98.76431 6.771780 -7.914413 
10.01953 
1 1 1 20  5   20 o 85.17715 4.990108  1585.300       173.6497 1506.511       
275.3107 1637.354       223.7773 83.07334 7.893734 87.28098 6.106854 -4.207634 
9.980215 
1 1 1 20  5   21 o 50.33595 7.582168  572.6917       158.9026 788.7842       
241.6812 408.1448       210.8958 59.28226 9.710446 41.38964 11.64750 17.89261 
15.16434 
1 1 1 20  5   22 o 41.86543 8.701796  424.4771       164.8235 343.0370       
228.4993 512.8162       237.9809 37.97626 12.43825 45.75459 12.17271 -7.778324 
17.40359 
1 1 1 20  5   23 o 92.56097 6.925441  1937.044       264.2068 2163.472       
423.3197 1792.559       338.1543 96.32962 10.46718 88.79231 9.071114 7.537308 
13.85088 
1 1 1 20  5   24 o 58.35933 8.193362  895.0873       193.7576 529.1062       
289.4845 1192.101       260.7862 44.47179 13.95001 72.24687 8.597784 -27.77509 
16.38672 
1 1 1 20  5   25 o 40.11003 8.684194  377.7189       177.2809 695.0452       
270.0898 137.5187       234.9859 51.29821 12.61249 28.92185 11.94094 22.37636 
17.36839 
1 1 1 20  5   26 o 37.97230 8.650292  394.3901       170.1642 204.0746       
263.1835 531.1003       223.0601 31.18971 12.71733 44.75489 11.72944 -13.56518 
17.30058 
1 1 1 20  5   27 o 24.22007 7.831538  -74.70530      185.6092 90.29227       
254.1733 -263.2182      271.6826 27.22417 11.86090 21.21596 10.22991 6.008207 
15.66308 
1 1 1 20  5   28 o 42.25670 9.016657  505.3626       170.7698 405.2993       
217.6581 665.5845       275.4218 37.53366 12.13480 46.97974 13.33968 -9.446083 
18.03331 
1 1 1 20  5   29 o 36.71409 9.314570  429.2551       188.5125 530.1447       
258.5899 314.8248       275.3969 40.83890 13.22900 32.58928 13.11634 8.249619 
18.62914 
1 1 1 20  5   30 o 56.86586 9.170338  1010.318       214.5750 1105.075       
303.2361 915.2858       303.6741 60.74207 12.32023 52.98965 13.58647 7.752415 
18.34068 
1 1 1 20  5   31 o 46.05228 8.844616  251.3409       146.1558 1876.199       
439.3722 49.17331       154.9818 71.31146 15.13385 20.79309 9.158351 50.51837 
17.68923 
1 1 1 20  5   32 o 21.48309 9.560335  78.23190       174.5721 0.000000       
0.000000 78.23190       174.5721 ?        ?        21.48309 9.560335 ? ? 
1 1 1 20  6   0  o 119.9344 4.804532  3033.306       230.8707 2978.381       
285.4177 3137.261       392.6614 118.5892 5.732667 121.2797 7.711720 -2.690445 
9.609064 
1 1 1 20  6   1  o 86.47194 4.318586  1578.795       155.3271 1537.866       
204.9597 1634.017       238.0718 85.21310 5.729059 87.73077 6.463638 -2.517677 
8.637172 
1 1 1 20  6   2  o 135.1295 5.145891  3888.452       291.8001 3893.584       
419.2355 3883.629       406.3991 135.1868 7.386602 135.0722 7.166512 0.1146240 
10.29178 
1 1 1 20  6   3  f 106.0956 4.605446  2388.974       204.7291 2368.522       
280.2777 2412.369       299.7651 105.6448 6.319189 106.5463 6.701373 
-0.9014816     9.210893 
1 1 1 20  6   4  f 222.0797 7.809627  10695.90       721.0458 10671.30       
955.7300 10728.40       1098.547 222.2882 10.24094 221.8712 11.79340 0.4170380 
15.61925 
1 1 1 20  6   5  o 140.1175 4.084270  4154.013       240.0945 4370.351       
345.9377 3952.958       333.4939 143.6416 5.736389 136.5933 5.815399 7.048325 
8.168539 
1 1 1 20  6   6  o 89.63982 4.389814  1682.263       164.1193 1944.553       
248.8504 1480.361       218.3321 95.74521 6.190737 83.53444 6.225482 12.21077 
8.779628 
1 1 1 20  6   7  o 77.77371 5.240469  1295.294       168.7879 1245.929       
258.1092 1332.176       223.1030 76.36925 8.050189 79.17817 6.711523 -2.808922 
10.48094 
1 1 1 20  6   8  o 65.33209 5.726870  928.1059       153.8338 808.4669       
232.6225 1021.091       205.0790 61.38522 9.026285 69.27896 7.050840 -7.893742 
11.45374 
1 1 1 20  6   9  o 135.9794 5.408296  3978.643       303.5703 3722.362       
465.2812 4168.599       400.5751 131.9135 8.401315 140.0453 6.812970 -8.131775 
10.81659 
1 1 1 20  6   10 o 48.53275 7.256894  529.0967       145.6426 405.5295       
212.6990 638.1763       199.8413 42.48434 11.60151 54.58115 8.720946 -12.09681 
14.51379 
1 1 1 20  6   11 f 156.4837 5.220324  5220.228       340.5052 5251.753       
456.0252 5180.505       511.8974 157.1586 6.911490 155.8088 7.825499 1.349823 
10.44065 
1 1 1 20  6   12 o 126.3065 5.716156  3491.882       283.8993 3667.954       
350.7836 3157.581       483.3517 131.4597 6.355762 121.1534 9.502739 10.30636 
11.43231 
1 1 1 20  6   13 o 60.77113 5.600142  774.8480       140.8544 614.0848       
187.0383 985.4707       214.0869 53.56469 8.317122 67.97756 7.501455 -14.41287 
11.20028 
1 1 1 20  6   14 o 165.0098 6.387417  5855.659       442.4148 5984.609       
625.5911 5726.644       625.7469 166.8721 8.929514 163.1474 9.135653 3.724701 
12.77483 
1 1 1 20  6   15 o 76.95290 5.365021  1271.091       169.5002 1242.993       
267.6157 1289.914       219.0356 76.08469 8.377904 77.82111 6.704067 -1.736420 
10.73004 
1 1 1 20  6   16 o 127.9575 5.687530  3546.455       293.3734 3415.002       
482.7629 3623.424       369.4090 125.6231 9.153461 130.2918 6.753230 -4.668640 
11.37506 
1 1 1 20  6   17 o 91.58696 5.430978  1803.687       205.4331 1807.551       
320.5137 1800.992       267.6364 91.47072 8.346139 91.70319 6.951551 
-0.2324753     10.86196 
1 1 1 20  6   18 o 78.24546 4.663363  1322.105       151.8311 1208.250       
223.6097 1419.500       206.8154 74.96741 7.104592 81.52351 6.042563 -6.556091 
9.326725 
1 1 1 20  6   19 f 83.72135 5.260996  1501.351       181.9953 1593.886       
287.1675 1439.235       235.2791 85.67284 7.983865 81.76986 6.853481 3.902985 
10.52199 
1 1 1 20  6   20 o 52.71245 7.350320  642.1898       157.5054 560.6128       
238.2730 705.4993       209.9064 48.77372 11.75670 56.65117 8.825469 -7.877445 
14.70064 
1 1 1 20  6   21 o 26.01190 7.895817  -47.95024      164.8045 -225.6562      
225.4932 155.8179       241.4630 20.73877 9.786196 31.28503 12.39379 -10.54626 
15.79163 
1 1 1 20  6   22 o 127.2191 7.215606  3685.667       381.1279 3626.832       
579.3016 3730.570       506.0806 125.5423 10.99096 128.8960 9.351930 -3.353760 
14.43121 
1 1 1 20  6   23 o 44.61774 8.577737  509.7929       165.9240 390.8800       
275.9266 577.1478       207.6651 39.97489 13.66827 49.26059 10.36767 -9.285702 
17.15547 
1 1 1 20  6   24 o 27.92006 8.315428  36.17196       175.8390 223.9459       
254.0002 -136.6379      243.6692 32.92851 12.79847 22.91161 10.62001 10.01690 
16.63086 
1 1 1 20  6   25 o 37.17822 9.510526  335.4077       194.9448 215.0191       
266.1478 474.7627       286.3462 32.42340 12.95854 41.93303 13.92395 -9.509632 
19.02105 
1 1 1 20  6   26 o 28.34116 8.668784  89.84567       189.3655 94.58011       
263.8427 84.81590       271.9478 28.33420 12.21035 28.34811 12.30848 
-0.1391411E-01 17.33757 
1 1 1 20  6   27 o 40.09207 9.545683  460.7510       190.4830 408.1918       
261.8336 519.8420       277.6269 37.97790 13.28561 42.20625 13.71032 -4.228344 
19.09137 
1 1 1 20  6   28 o 73.84450 8.007571  1469.629       230.3896 1668.743       
304.7320 1203.962       351.9949 83.06370 8.738319 64.62529 13.42112 18.43841 
16.01514 
1 1 1 20  6   29 o 34.66257 9.361139  359.8130       189.6477 298.1483       
258.1397 432.1267       279.5417 32.42378 12.82419 36.90137 13.64052 -4.477592 
18.72228 
1 1 1 20  6   30 o 32.11990 9.068283  288.8170       197.4281 91.51712       
278.4979 488.1348       279.9185 26.40395 11.90067 37.83584 13.68610 -11.43189 
18.13657 
1 1 1 20  6   31 o 25.27348 7.909195  63.40805       134.1670 338.1309       
297.3991 -6.791312      150.3346 31.39898 13.22370 19.14798 8.680744 12.25100 
15.81839 
1 1 1 20  6   32 o 27.86958 6.369484  193.8105       138.2992 -616.3868      
280.6745 453.5924       158.9322 16.39047 8.286652 39.34868 9.675367 -22.95821 
12.73897 
1 1 1 20  7   0  o 139.3858 5.457887  4145.348       318.5574 4163.973       
435.7137 4123.960       466.9200 139.8051 7.423341 138.9666 8.003009 0.8385010 
10.91577 
1 1 1 20  7   1  o 83.02107 4.267802  1460.490       148.6384 1381.799       
207.9398 1542.709       212.5488 80.72179 6.135754 85.32035 5.933721 -4.598557 
8.535604 
1 1 1 20  7   2  o 110.4269 4.493883  2540.192       202.1409 2781.957       
334.7353 2401.419       253.6040 114.3636 6.971639 106.4903 5.672405 7.873291 
8.987765 
1 1 1 20  7   3  o 106.6354 4.285723  2418.824       191.1763 2214.000       
272.8785 2616.269       267.9179 102.1329 6.363920 111.1378 5.741968 -9.004959 
8.571445 
1 1 1 20  7   4  o 82.77338 4.066451  1438.653       140.0513 1362.616       
184.1864 1542.873       215.6359 80.23904 5.467550 85.30770 6.020797 -5.068657 
8.132902 
1 1 1 20  7   5  o 46.65639 6.813908  478.6968       128.9724 586.6196       
192.9247 391.4932       173.4196 51.51431 9.256910 41.79847 10.00135 9.715839 
13.62782 
1 1 1 20  7   6  o 108.1762 4.914300  2481.118       218.9371 2529.728       
346.3135 2448.757       282.5684 108.9233 7.573030 107.4290 6.265029 1.494324 
9.828600 
1 1 1 20  7   7  o 59.29851 5.823750  753.6411       144.6130 705.8945       
207.0266 799.1377       202.0900 57.41261 8.588947 61.18440 7.867290 -3.771793 
11.64750 
1 1 1 20  7   8  o 125.9087 5.290726  3376.090       279.3865 3428.874       
405.6382 3328.450       385.3652 126.8095 7.619177 125.0079 7.342703 1.801575 
10.58145 
1 1 1 20  7   9  o 32.97745 7.952543  217.2625       135.5468 135.7960       
200.6000 285.7103       183.8743 29.77981 11.41838 36.17509 11.07215 -6.395281 
15.90509 
1 1 1 20  7   10 o 70.75191 5.349363  1065.947       158.8061 1018.719       
220.9516 1116.415       228.4052 69.12551 7.613420 72.37830 7.516553 -3.252792 
10.69873 
1 1 1 20  7   11 f 49.67819 6.751337  529.2161       137.2036 415.9416       
181.8367 678.9638       209.0719 43.07564 10.19955 56.28075 8.848242 -13.20511 
13.50267 
1 1 1 20  7   12 o 141.6712 5.093246  4221.113       291.9964 4084.826       
364.4370 4465.477       487.9931 138.7585 6.255814 144.5838 8.039241 -5.825302 
10.18649 
1 1 1 20  7   13 o 137.6425 5.501322  3990.505       314.0962 3719.577       
408.4048 4382.779       491.4263 132.1189 7.362869 143.1662 8.175961 -11.04738 
11.00264 
1 1 1 20  7   14 o 87.72141 5.682796  1647.900       208.9030 1691.089       
289.2943 1600.840       301.9810 88.98196 7.743886 86.46087 8.319190 2.521088 
11.36559 
1 1 1 20  7   15 f 93.85010 5.144004  1883.710       202.1328 1803.171       
292.6830 1957.152       279.4909 91.86054 7.589087 95.83966 6.946140 -3.979118 
10.28801 
1 1 1 20  7   16 o 122.4483 5.200768  3155.572       259.8098 3421.537       
427.5111 2999.817       327.1559 126.2438 8.066001 118.6528 6.567463 7.590981 
10.40154 
1 1 1 20  7   17 o 34.50157 7.966976  232.4694       140.2280 101.4192       
190.4571 387.6145       207.2274 27.74910 11.00274 41.25404 11.52522 -13.50494 
15.93395 
1 1 1 20  7   18 o 30.35887 7.966787  62.78346       155.0072 354.2129       
235.3969 -160.3286      205.9660 39.68513 12.59856 21.03261 9.754741 18.65251 
15.93357 
1 1 1 20  7   19 o 43.07037 8.344742  419.1369       156.0685 542.0971       
238.2106 326.6615       206.5817 48.19857 11.84133 37.94216 11.76102 10.25641 
16.68948 
1 1 1 20  7   20 o 37.08657 8.111337  263.4060       156.2918 532.5132       
234.7810 49.24996       209.4428 47.60147 11.79349 26.57167 11.13951 21.02981 
16.22267 
1 1 1 20  7   21 o 45.25228 7.944823  460.7244       157.0612 722.7379       
238.7723 260.8908       208.5241 55.93533 10.55342 34.56923 11.87881 21.36610 
15.88965 
1 1 1 20  7   22 o 107.1684 6.639668  2531.638       296.1035 2866.370       
457.4126 2290.185       388.4865 112.9949 9.642073 101.3419 9.130784 11.65301 
13.27934 
1 1 1 20  7   23 o 92.49796 6.584794  1929.651       255.2265 1774.347       
354.1256 2097.521       368.1736 88.47365 9.533766 96.52225 9.085446 -8.048607 
13.16959 
1 1 1 20  7   24 o 52.55199 8.496702  673.9221       182.7837 815.4115       
278.7378 567.1780       242.1061 57.47089 11.94902 47.63310 12.08291 9.837795 
16.99340 
1 1 1 20  7   25 o 65.78468 7.563877  1043.651       203.4144 945.8067       
286.3338 1143.345       289.0280 61.77700 11.46954 69.79234 9.864003 -8.015339 
15.12775 
1 1 1 20  7   26 o 31.77301 8.758855  222.7185       167.7881 243.5613       
216.2822 191.2135       265.9087 32.21004 11.97984 31.33598 12.78099 0.8740616 
17.51771 
1 1 1 20  7   27 o 28.26851 8.047965  81.48229       171.4823 -225.5285      
257.1054 327.4972       230.1522 21.35641 10.21258 35.18062 12.44115 -13.82421 
16.09593 
1 1 1 20  7   28 o 24.68014 7.915036  -66.45170      189.3298 135.1039       
256.3410 -308.3712      280.8382 28.38610 12.12806 20.97418 10.17356 7.411922 
15.83007 
1 1 1 20  7   29 f 27.15878 8.349171  54.25920       187.6321 -148.2667      
256.8430 286.0378       274.7667 21.91783 10.38528 32.39974 13.07595 -10.48191 
16.69834 
1 1 1 20  7   30 o 25.56816 7.832854  108.6195       132.7682 116.3320       
300.5114 106.7489       147.9954 27.65852 12.41922 23.47779 9.548688 4.180727 
15.66571 
1 1 1 20  7   31 o 61.35832 6.738307  776.7149       138.9938 1448.080       
342.6626 644.4977       152.0657 70.77312 11.53239 51.94352 6.973021 18.82960 
13.47661 
1 1 1 20  7   32 o 31.51949 8.025418  335.1945       135.8399 255.6774       
306.6503 354.6077       151.5172 28.30283 12.63089 34.73615 9.904033 -6.433319 
16.05084 
1 1 1 20  7   33 o 22.95110 7.129379  117.1232       123.9216 170.9436       
226.0979 94.01334       148.1570 24.64141 10.93079 21.26079 9.155879 3.380617 
14.25876 
1 1 1 20  8   0  o 67.39787 4.512126  965.3902       127.4373 992.2510       
176.5236 936.1531       184.1663 68.40478 6.146633 66.39098 6.607272 2.013802 
9.024253 
1 1 1 20  8   1  o 169.4836 4.966742  6107.518       353.2678 6355.742       
505.0189 5869.676       494.3442 172.8750 6.958192 166.0923 7.089263 6.782761 
9.933484 
1 1 1 20  8   2  o 101.7605 4.295733  2187.511       182.8551 2467.420       
266.7611 1939.429       251.1378 107.9091 5.888240 95.61190 6.256351 12.29721 
8.591467 
1 1 1 20  8   3  o 46.50378 6.286081  470.1861       119.8285 571.6669       
175.1978 380.9842       164.2569 51.72657 8.067447 41.28099 9.642385 10.44558 
12.57216 
1 1 1 20  8   4  o 116.2598 5.135480  2866.443       249.2510 2987.177       
375.9238 2771.728       332.9619 118.3648 7.564812 114.1547 6.947392 4.210152 
10.27096 
1 1 1 20  8   5  o 145.9962 5.358057  4550.934       313.0753 4524.339       
528.3676 4565.324       388.6497 145.3201 8.660275 146.6724 6.311476 -1.352371 
10.71611 
1 1 1 20  8   6  o 39.16769 7.445210  342.4579       124.5391 350.3438       
186.3849 336.0973       167.3918 39.57692 10.88354 38.75846 10.16233 0.8184509 
14.89042 
1 1 1 20  8   7  o 150.3508 5.357852  4832.626       334.9739 4918.989       
446.4910 4721.428       506.6385 152.0638 6.993716 148.6379 8.118759 3.425842 
10.71570 
1 1 1 20  8   8  o 43.47116 6.852533  418.7518       120.9562 395.3932       
159.8697 450.0244       184.9803 42.10849 9.292285 44.83382 10.07384 -2.725330 
13.70507 
1 1 1 20  8   9  o 99.68836 4.939043  2099.056       205.6610 1977.061       
274.5915 2254.927       310.3834 96.44941 6.781232 102.9273 7.182720 -6.477905 
9.878086 
1 1 1 20  8   10 o 69.14043 5.301664  1018.585       153.4665 1017.212       
209.3556 1020.180       225.6254 69.12843 7.213548 69.15243 7.771442 
-0.2399445E-01 10.60333 
1 1 1 20  8   11 o 113.8437 5.176473  2770.452       229.1151 2788.488       
276.7801 2731.188       408.3746 114.7458 5.745384 112.9416 8.612435 1.804268 
10.35295 
1 1 1 20  8   12 o 88.66867 4.699475  1650.552       173.7325 1508.631       
229.7574 1840.048       265.4875 84.29411 6.492220 93.04324 6.796420 -8.749138 
9.398950 
1 1 1 20  8   13 o 128.2682 5.423993  3461.628       279.0289 3351.196       
344.3466 3672.789       476.1621 125.6126 6.529553 130.9238 8.662778 -5.311195 
10.84799 
1 1 1 20  8   14 o 32.25346 7.679115  96.48583       146.6898 433.6541       
228.6772 -139.2596      191.2147 43.83355 12.05576 20.67338 9.514926 23.16016 
15.35823 
1 1 1 20  8   15 o 82.28932 5.624765  1462.767       191.2435 1358.257       
291.3640 1541.874       253.4919 79.52380 8.726896 85.05485 7.098819 -5.531044 
11.24953 
1 1 1 20  8   16 o 80.78505 5.502542  1392.140       186.2413 1512.138       
273.1249 1287.852       254.6180 84.03407 7.741533 77.53603 7.821797 6.498039 
11.00508 
1 1 1 20  8   17 o 37.45948 7.621049  319.7857       129.0431 232.6581       
196.2749 386.1208       171.2608 33.60421 11.52682 41.31475 9.972657 -7.710541 
15.24210 
1 1 1 20  8   18 o 40.38633 8.586213  366.5488       156.8843 416.0809       
234.7020 326.5414       210.9325 42.58688 12.38663 38.18578 11.89384 4.401100 
17.17243 
1 1 1 20  8   19 o 64.06242 5.869942  891.1119       157.3121 797.8168       
220.0863 988.5660       224.9387 60.53991 8.659093 67.58494 7.927484 -7.045025 
11.73988 
1 1 1 20  8   20 o 25.17768 7.513535  36.10793       134.4938 -45.25180      
227.4978 79.82124       166.7552 24.89222 11.01309 25.46313 10.22373 
-0.5709114     15.02707 
1 1 1 20  8   21 o 45.86440 6.873631  483.1145       130.6969 376.5729       
188.3198 582.1160       181.5337 40.18755 10.89071 51.54126 8.389255 -11.35371 
13.74726 
1 1 1 20  8   22 o 76.05263 6.693767  1278.690       207.7995 1347.599       
338.6649 1237.081       263.1609 77.18053 10.45162 74.92473 8.365988 2.255798 
13.38753 
1 1 1 20  8   23 f 83.40836 7.092136  1580.198       246.7640 1813.731       
355.8153 1363.793       342.5184 89.70227 9.448050 77.11445 10.57960 12.58782 
14.18427 
1 1 1 20  8   24 o 37.56131 8.688647  346.9821       168.0902 457.4024       
214.1827 169.9184       271.2219 43.14168 11.58016 31.98094 12.95648 11.16074 
17.37729 
1 1 1 20  8   25 o 58.75908 8.432915  862.9492       200.9466 883.9890       
279.4915 840.4353       289.1156 59.83158 11.53831 57.68658 12.30137 2.145004 
16.86583 
1 1 1 20  8   26 o 59.96712 8.458714  916.9014       205.2247 921.1709       
282.8331 912.1539       298.2428 60.47891 11.55243 59.45532 12.35883 1.023594 
16.91743 
1 1 1 20  8   27 o 41.55676 9.338089  483.1798       186.8089 560.1616       
254.5861 393.3806       274.9647 45.20190 12.82209 37.91161 13.57917 7.290295 
18.67618 
1 1 1 20  8   28 o 33.04572 8.934842  240.8380       187.5925 34.64577       
259.6854 465.8641       271.2863 26.14416 11.64670 39.94727 13.55286 -13.80311 
17.86968 
1 1 1 20  8   29 o 32.56231 9.087061  274.1444       184.9939 378.4315       
272.6450 185.1699       251.8343 35.77779 13.42190 29.34682 12.25362 6.430979 
18.17412 
1 1 1 20  8   30 f 48.33610 8.143208  658.3185       140.8375 655.0837       
318.2516 659.1062       157.0530 43.64610 14.67919 53.02609 7.054688 -9.379986 
16.28642 
1 1 1 20  8   31 o 39.84649 8.694047  395.5626       131.3115 724.5592       
310.0939 323.6782       144.9489 45.20314 14.47111 34.48985 9.640169 10.71329 
17.38809 
1 1 1 20  8   32 o 23.87219 7.484869  96.11283       121.8472 99.54131       
306.1467 95.46752       132.8203 25.91107 11.96950 21.83332 8.990230 4.077747 
14.96974 
1 1 1 20  8   33 o 20.41024 6.385781  23.07691       121.2425 -207.9240      
201.4463 154.2802       151.8185 17.02040 8.338145 23.80008 9.674096 -6.779678 
12.77156 
1 1 1 20  9   0  o 30.06674 7.175560  181.2711       108.3787 220.4941       
154.1121 142.8931       152.4429 32.14058 10.19290 27.99290 10.10245 4.147684 
14.35112 
1 1 1 20  9   1  o 89.03030 4.403962  1678.319       164.3730 1810.702       
237.5206 1556.650       227.7070 92.40909 6.122201 85.65153 6.332313 6.757561 
8.807924 
1 1 1 20  9   2  o 66.24759 4.573120  928.3313       126.9486 1007.376       
185.7078 858.9913       173.9349 68.89056 6.420833 63.60461 6.513571 5.285950 
9.146240 
1 1 1 20  9   3  o 51.43392 5.732041  572.1724       120.1143 665.3483       
174.0682 487.4785       165.9563 55.88179 7.419425 46.98604 8.739411 8.895752 
11.46408 
1 1 1 20  9   4  o 40.10979 7.118998  365.6872       120.4692 295.7175       
180.2598 422.1619       161.9462 36.65919 10.91169 43.56039 9.146338 -6.901199 
14.23800 
1 1 1 20  9   5  o 33.98622 6.607890  211.9768       124.7893 -87.74718      
180.8660 484.2853       172.3959 21.22043 9.575985 46.75201 9.108091 -25.53158 
13.21578 
1 1 1 20  9   6  o 81.46839 4.917415  1404.700       167.2218 1474.535       
252.6890 1350.287       223.0495 83.21748 7.232573 79.71931 6.664365 3.498169 
9.834829 
1 1 1 20  9   7  o 119.8006 4.826268  3003.705       231.6152 3208.853       
396.9746 2897.827       285.1882 122.6459 7.709579 116.9553 5.808083 5.690620 
9.652535 
1 1 1 20  9   8  o 49.12373 6.727662  531.6769       135.0652 496.9237       
200.6920 560.4492       182.6081 47.07703 10.43047 51.17042 8.500063 -4.093384 
13.45532 
1 1 1 20  9   9  o 65.11766 5.353058  906.3511       145.0750 1058.281       
207.6301 761.4223       202.7895 70.53523 7.011410 59.70009 8.090800 10.83514 
10.70612 
1 1 1 20  9   10 o 83.93913 5.241287  1500.876       183.2115 1500.458       
244.1523 1501.415       277.1791 84.00399 6.922803 83.87428 7.871413 0.1297073 
10.48257 
1 1 1 20  9   11 o 112.1754 5.608705  2688.168       257.7537 2695.363       
330.6744 2677.028       411.4654 112.5743 6.996524 111.7765 8.768064 0.7977753 
11.21741 
1 1 1 20  9   12 o 65.02139 5.804228  915.8632       156.0927 805.9084       
232.1095 1006.648       210.9074 61.28911 9.020502 68.75368 7.306625 -7.464577 
11.60846 
1 1 1 20  9   13 o 44.76556 8.316010  451.9061       158.3637 427.6289       
220.7565 477.6454       227.3073 43.56477 11.78489 45.96635 11.73629 -2.401585 
16.63202 
1 1 1 20  9   14 o 69.56284 5.433416  1037.524       157.2477 1203.606       
223.4779 874.6622       221.3018 75.18889 7.079491 63.93680 8.244324 11.25209 
10.86683 
1 1 1 20  9   15 o 99.68590 5.559299  2137.004       231.2278 1935.077       
334.2388 2322.350       320.2224 95.02015 8.378421 104.3516 7.309262 -9.331497 
11.11860 
1 1 1 20  9   16 o 58.07455 6.943262  742.3174       164.8802 715.0538       
241.0626 766.2838       226.0157 56.51760 10.55148 59.63149 9.027842 -3.113888 
13.88652 
1 1 1 20  9   17 o 69.44777 5.937490  1040.143       172.0910 1184.395       
246.1163 902.1464       240.7203 74.26826 7.893294 64.62729 8.871925 9.640968 
11.87498 
1 1 1 20  9   18 o 27.39827 8.054963  56.14546       152.2337 48.29309       
227.9564 62.46660       204.5264 27.77017 11.63075 27.02637 11.14699 0.7437973 
16.10993 
1 1 1 20  9   19 o 27.91478 7.687240  113.8693       128.9845 149.2143       
195.5722 86.65985       171.5942 29.73071 11.31065 26.09885 10.41364 3.631865 
15.37448 
1 1 1 20  9   20 o 32.60741 7.711043  165.2885       152.4748 -132.6418      
224.5023 420.3808       207.7362 22.68866 10.38671 42.52616 11.39987 -19.83750 
15.42209 
1 1 1 20  9   21 o 38.98998 8.594692  352.5876       157.1476 297.1586       
234.2682 397.9341       211.8931 36.75285 12.59429 41.22712 11.69867 -4.474262 
17.18938 
1 1 1 20  9   22 o 51.53876 8.070065  523.8534       159.5858 361.2961       
187.0417 958.8587       305.9727 39.26096 10.94336 63.81655 11.86367 -24.55559 
16.14013 
1 1 1 20  9   23 o 46.94350 8.409896  501.0628       177.5361 842.9747       
271.5218 245.7206       234.6438 59.73399 11.23960 34.15301 12.51306 25.58098 
16.81979 
1 1 1 20  9   24 o 91.17860 7.301744  1895.284       277.8640 1691.874       
370.1509 2157.896       420.5798 85.66685 10.29170 96.69035 10.36063 -11.02351 
14.60349 
1 1 1 20  9   25 o 43.74339 8.994938  499.7433       182.4633 342.8274       
277.1789 619.7419       242.3901 37.61790 13.61780 49.86889 11.75547 -12.25098 
17.98988 
1 1 1 20  9   26 o 84.26376 7.433903  1713.627       257.7197 1789.486       
339.6006 1610.609       395.7501 87.68076 9.225400 80.84676 11.65949 6.833992 
14.86781 
1 1 1 20  9   27 o 39.52471 9.168868  418.4824       183.2576 277.4388       
260.4508 556.7755       257.8987 33.84869 13.00139 45.20073 12.93199 -11.35204 
18.33774 
1 1 1 20  9   28 o 33.41016 8.948011  284.6472       174.5751 224.6733       
253.9333 338.3968       240.3954 31.40135 12.61281 35.41896 12.69585 -4.017605 
17.89602 
1 1 1 20  9   29 o 23.26604 7.376367  24.79781       112.0456 72.70969       
285.6673 16.08697       121.8060 27.45874 12.22436 19.07334 8.258821 8.385399 
14.75273 
1 1 1 20  9   30 o 44.61993 8.354399  542.1207       139.6032 625.8372       
306.1601 520.1454       156.8594 43.45418 14.39764 45.78569 8.478914 -2.331505 
16.70880 
1 1 1 20  9   31 o 25.26227 7.511624  129.6347       128.7482 -48.34395      
299.3970 170.0137       142.6072 24.40105 11.45052 26.12349 9.725407 -1.722439 
15.02325 
1 1 1 20  9   32 o 18.75387 6.404041  -113.8103      127.0950 -221.0131      
281.3246 -86.31947      142.4619 20.79829 10.11768 16.70945 7.853625 4.088840 
12.80808 
1 1 1 20  9   33 o 21.89565 6.998824  64.82674       128.8878 19.62509       
253.4343 80.59620       149.6914 22.53564 10.56791 21.25566 9.178969 1.279987 
13.99765 
1 1 1 20  9   34 o 22.04059 7.096755  63.43686       128.4044 198.5160       
247.8461 13.87871       150.1224 25.28621 11.31811 18.79496 8.564822 6.491251 
14.19351 
1 1 1 20  10  0  o 97.79735 5.184172  2041.202       212.3803 1936.328       
305.0735 2139.824       295.8414 95.29751 7.625072 100.2972 7.025727 -4.999680 
10.36834 
1 1 1 20  10  1  o 175.2611 6.357270  6595.494       467.2189 6818.373       
653.0919 6361.850       668.6784 178.4082 8.719281 172.1140 9.253845 6.294189 
12.71454 
1 1 1 20  10  2  o 49.22214 5.978219  523.5477       119.7362 632.1696       
176.2126 430.3758       163.2003 54.44258 7.709380 44.00170 9.139030 10.44088 
11.95644 
1 1 1 20  10  3  o 41.62998 6.811547  382.0067       117.9882 505.0619       
174.3915 278.1283       160.2279 47.78774 9.021692 35.47222 10.20773 12.31553 
13.62309 
1 1 1 20  10  4  o 84.21949 4.416099  1434.058       152.0698 1840.919       
252.5250 1202.564       190.4807 93.12072 6.459205 75.31826 6.023817 17.80246 
8.832197 
1 1 1 20  10  5  o 38.10158 7.001925  322.2149       123.8986 126.5470       
178.1755 505.4144       172.4051 28.38124 10.79628 47.82192 8.918979 -19.44068 
14.00385 
1 1 1 20  10  6  o 99.92299 4.440226  2118.729       186.2473 2095.805       
264.6093 2141.237       262.1941 99.37657 6.342233 100.4694 6.215988 -1.092834 
8.880452 
1 1 1 20  10  7  o 89.16895 4.660219  1688.285       174.3194 1676.454       
241.3361 1701.191       252.0634 88.86145 6.468892 89.47644 6.709993 
-0.6149902     9.320438 
1 1 1 20  10  8  o 99.77364 4.098571  2102.983       171.4188 2213.683       
251.0785 2006.332       234.6048 102.2178 5.850646 97.32944 5.741347 4.888390 
8.197142 
1 1 1 20  10  9  o 41.93523 7.284706  394.2846       127.4450 401.4232       
183.4937 387.6315       177.1430 42.29184 10.39434 41.57862 10.20909 0.7132225 
14.56941 
1 1 1 20  10  10 o 177.3691 6.229002  6640.528       409.2674 6527.667       
475.8880 6961.101       802.0430 175.3570 6.464020 179.3813 10.64980 -4.024246 
12.45800 
1 1 1 20  10  11 o 105.4225 4.690394  2329.910       203.8524 2207.517       
261.5770 2519.219       325.3178 102.0369 6.106094 108.8082 7.121433 -6.771301 
9.380789 
1 1 1 20  10  12 o 54.08990 7.639100  654.3796       167.3342 666.3448       
235.0701 642.0881       238.2548 54.65407 10.62376 53.52572 10.97994 1.128353 
15.27820 
1 1 1 20  10  13 o 102.5697 5.365731  2247.348       227.5947 2219.453       
352.4011 2267.309       298.1046 101.8799 8.238911 103.2594 6.876382 -1.379524 
10.73146 
1 1 1 20  10  14 o 51.46568 7.307653  615.2361       156.9541 273.4781       
223.7594 946.2563       220.2162 36.37300 12.30857 66.55835 7.880754 -30.18535 
14.61531 
1 1 1 20  10  15 o 69.54688 5.179902  1031.273       151.2276 1015.206       
212.0239 1047.911       215.7614 68.99651 7.319455 70.09726 7.331516 -1.100754 
10.35980 
1 1 1 20  10  16 o 69.44641 6.480420  1033.565       178.9473 1423.381       
271.4059 733.7800       238.0094 81.52737 7.929338 57.36545 10.25227 24.16192 
12.96084 
1 1 1 20  10  17 o 61.83638 6.063122  821.4688       157.1302 759.7629       
216.1290 890.6509       228.8475 59.36229 8.672085 64.31047 8.475893 -4.948185 
12.12624 
1 1 1 20  10  18 o 40.60641 7.680839  309.4718       156.6836 690.0213       
239.9335 26.52594       206.8887 55.22355 10.73174 25.98928 10.99140 29.23427 
15.36168 
1 1 1 20  10  19 o 77.25471 5.113384  1281.161       165.7145 1222.999       
229.1570 1344.918       239.9249 75.41824 7.237322 79.09119 7.225508 -3.672951 
10.22677 
1 1 1 20  10  20 o 29.96304 8.432123  120.0932       158.2093 169.8780       
241.7238 82.78442       209.2555 32.16593 12.48879 27.76015 11.33282 4.405785 
16.86425 
1 1 1 20  10  21 o 34.70583 8.048298  231.9647       156.2629 -11.02944      
228.3066 446.1239       214.3330 25.77756 11.23580 43.63411 11.52637 -17.85655 
16.09660 
1 1 1 20  10  22 o 32.56752 9.018339  160.6819       177.3062 88.45126       
228.0150 271.1624       281.9979 28.56884 11.77414 36.56620 13.66350 -7.997360 
18.03668 
1 1 1 20  10  23 o 32.07430 8.751375  183.7033       171.7004 263.5475       
221.2782 62.88588       272.1959 34.65754 12.20473 29.49106 12.54556 5.166479 
17.50275 
1 1 1 20  10  24 o 26.27831 8.296247  -119.4465      195.6239 -330.9360      
268.0137 121.6972       286.1875 21.25608 10.22746 31.30054 13.06560 -10.04446 
16.59249 
1 1 1 20  10  25 o 35.75893 8.671291  251.1942       180.1014 -10.17791      
251.6369 525.7001       257.8817 26.14642 11.57344 45.37143 12.91591 -19.22502 
17.34258 
1 1 1 20  10  26 o 51.47819 8.551970  675.5734       181.8914 671.0574       
257.7754 680.0515       256.6945 51.25744 12.14853 51.69893 12.03985 
-0.4414864     17.10394 
1 1 1 20  10  27 o 34.68356 8.638693  252.0776       172.4389 512.1052       
257.3163 40.10632       232.3251 43.45568 13.05778 25.91143 11.31381 17.54424 
17.27739 
1 1 1 20  10  28 o 24.70963 7.776505  5.754956       156.5118 77.11607       
258.1819 -35.70563      196.7944 27.40307 11.94630 22.01619 9.959020 5.386875 
15.55301 
1 1 1 20  10  29 o 45.29285 7.230866  497.1791       113.0131 575.0960       
255.4551 478.2186       126.0156 44.68039 12.89918 45.90532 6.538564 -1.224930 
14.46173 
1 1 1 20  10  30 o 22.59900 7.306558  5.127878       128.8222 -55.11302      
296.8393 19.10621       142.9892 24.92677 11.61832 20.27123 8.863284 4.655544 
14.61312 
1 1 1 20  10  31 o 34.44845 7.997217  360.1583       133.2985 229.3050       
302.1797 391.7729       148.5309 30.21315 13.04426 38.68375 9.255765 -8.470606 
15.99443 
1 1 1 20  10  32 o 22.30378 7.235038  7.791868       130.1528 87.63445       
270.1422 -16.34417      148.5279 25.66758 11.63647 18.93998 8.600917 6.727598 
14.47008 
1 1 1 20  10  33 o 27.87360 8.026670  216.4271       133.8705 334.5064       
260.3733 173.9965       156.0806 30.47721 12.57486 25.26999 9.979106 5.207216 
16.05334 
1 1 1 20  10  34 o 22.46615 7.235938  47.11242       130.6344 271.5509       
255.0791 -32.68177      152.0939 27.19351 11.86443 17.73880 8.286768 9.454706 
14.47188 
1 1 1 20  11  0  o 57.11900 7.855768  696.3843       188.3858 0.000000       
0.000000 696.3843       188.3858 ?        ?        57.11900 7.855768 ? ? 
1 1 1 20  11  1  o 80.26869 9.333931  1384.339       314.5500 1384.339       
314.5500 0.000000       0.000000 80.26869 9.333931 ?        ?        ? ? 
1 1 1 20  11  2  o 47.61392 6.525413  488.1315       126.9055 339.9094       
169.7786 675.8013       191.0397 38.98197 10.24081 56.24588 8.090103 -17.26390 
13.05083 
1 1 1 20  11  3  o 24.39456 7.014876  52.86247       111.8807 75.68522       
168.7674 34.96858       149.4366 25.79193 10.31450 22.99719 9.510255 2.794737 
14.02975 
1 1 1 20  11  4  o 107.8220 4.334811  2463.566       195.7873 2488.952       
287.2713 2441.547       267.5497 108.3068 6.317681 107.3373 5.937107 0.9694748 
8.669621 
1 1 1 20  11  5  o 74.17105 4.918060  1176.349       152.0109 1106.418       
224.9505 1235.120       206.2204 72.06274 7.435279 76.27937 6.439402 -4.216629 
9.836121 
1 1 1 20  11  6  o 89.15012 4.533693  1683.702       168.8782 1719.392       
252.5606 1654.841       227.1197 89.95987 6.687101 88.34037 6.123739 1.619499 
9.067387 
1 1 1 20  11  7  o 62.30400 4.488014  823.3682       117.3619 850.6255       
167.8391 797.2891       164.1712 63.31602 6.313941 61.29198 6.379908 2.024044 
8.976028 
1 1 1 20  11  8  o 50.03910 6.404135  551.8283       129.2882 537.5533       
175.8966 568.6034       190.6790 49.37900 8.800834 50.69921 9.305756 -1.320210 
12.80827 
1 1 1 20  11  9  o 113.7272 4.296769  2710.970       202.8120 2549.371       
264.3856 2942.032       316.1432 109.7163 5.739679 117.7380 6.395700 -8.021706 
8.593538 
1 1 1 20  11  10 o 137.0325 5.675783  3926.503       321.8401 3544.558       
414.6392 4505.367       510.4562 128.9293 7.660194 145.1358 8.377319 -16.20648 
11.35157 
1 1 1 20  11  11 f 39.75513 7.675821  330.0280       133.4420 495.6962       
211.2392 220.0153       172.1378 46.94862 10.91437 32.56165 10.79580 14.38698 
15.35164 
1 1 1 20  11  12 o 49.91982 7.283705  553.1534       147.4019 621.5903       
217.3639 494.8867       200.5638 52.86075 10.15672 46.97888 10.44272 5.881870 
14.56741 
1 1 1 20  11  13 o 58.46045 5.761594  733.6659       139.8606 868.1354       
199.7843 604.4277       195.8596 63.82227 7.456074 53.09862 8.785830 10.72365 
11.52319 
1 1 1 20  11  14 o 185.4818 7.447910  7448.202       579.4996 7439.464       
803.3226 7457.683       836.7730 185.4835 10.31587 185.4801 10.74562 
0.3433228E-02  14.89582 
1 1 1 20  11  15 o 100.5677 5.253055  2162.457       220.9885 2221.038       
302.5385 2095.448       323.5705 102.1101 7.057210 99.02536 7.782937 3.084717 
10.50611 
1 1 1 20  11  16 o 127.6900 5.751296  3495.071       307.8669 3745.078       
438.9739 3253.067       431.8917 132.2571 7.905710 123.1230 8.355199 9.134079 
11.50259 
1 1 1 20  11  17 o 65.64421 6.560976  961.8165       170.9993 716.6976       
243.6619 1199.699       240.0380 56.46553 10.66754 74.82290 7.641288 -18.35737 
13.12195 
1 1 1 20  11  18 o 39.38654 7.498940  316.2137       159.5473 -60.80031      
233.0903 648.5692       218.8502 25.05711 11.10896 53.71597 10.07608 -28.65885 
14.99788 
1 1 1 20  11  19 o 102.6803 4.839488  2257.782       208.4612 2384.675       
300.2716 2139.722       289.6335 105.4818 6.780439 99.87878 6.907113 5.603027 
9.678975 
1 1 1 20  11  20 o 54.82155 7.437966  684.5411       164.1123 696.9217       
245.6859 674.5663       220.5270 55.09351 11.01121 54.54959 10.00233 0.5439224 
14.87593 
1 1 1 20  11  21 o 70.35666 6.755928  1088.965       199.0413 1158.400       
294.7517 1030.761       269.8656 72.35449 9.703132 68.35883 9.403164 3.995667 
13.51186 
1 1 1 20  11  22 o 70.11668 6.334918  1057.907       184.0799 1289.998       
288.7288 898.9603       238.9386 76.41460 8.999840 63.81875 8.917827 12.59584 
12.66984 
1 1 1 20  11  23 o 50.20811 9.169181  615.4207       194.9130 655.1725       
279.0556 577.5526       272.3634 51.83669 12.86649 48.57952 13.06710 3.257168 
18.33836 
1 1 1 20  11  24 o 34.33031 9.124011  241.7570       180.9719 170.9773       
262.4368 305.9306       249.8897 32.05704 12.84463 36.60358 12.96170 -4.546539 
18.24802 
1 1 1 20  11  25 o 65.27762 7.456806  1009.553       197.5372 866.6190       
280.6868 1149.816       278.0513 59.61002 11.63057 70.94521 9.335186 -11.33518 
14.91361 
1 1 1 20  11  26 o 31.80588 8.855283  195.1195       174.9815 271.4551       
254.4834 126.6643       240.9901 34.42220 12.95654 29.18956 12.07445 5.232639 
17.71057 
1 1 1 20  11  27 o 43.33128 8.534290  470.2547       158.0554 604.0389       
256.8626 388.7331       200.5094 47.72912 12.62287 38.93345 11.48910 8.795666 
17.06858 
1 1 1 20  11  28 o 45.01333 8.785465  570.2988       175.3936 442.7556       
281.7983 650.9526       224.0900 39.58138 13.78889 50.44529 10.89056 -10.86391 
17.57093 
1 1 1 20  11  29 o 68.08389 6.972657  1045.932       153.2412 1340.262       
355.5231 978.7722       169.8270 70.11957 12.52849 66.04823 6.124442 4.071342 
13.94531 
1 1 1 20  11  30 o 43.45210 8.408682  324.4165       123.9228 1007.202       
332.9530 214.6223       133.5152 57.82613 13.87172 29.07808 9.507847 28.74804 
16.81736 
1 1 1 20  11  31 o 55.88141 6.923773  658.9351       127.8621 1119.025       
305.7573 561.4240       140.7610 62.70978 12.04315 49.05304 6.834984 13.65675 
13.84755 
1 1 1 20  11  32 o 19.19745 6.454075  -100.2042      131.5701 -186.3763      
247.6485 -66.31664      155.3003 20.29065 9.779613 18.10426 8.424934 2.186394 
12.90815 
1 1 1 20  11  33 o 20.33369 6.738838  -34.44373      131.2464 -14.69855      
246.1568 -42.28652      155.1374 22.37086 10.47705 18.29652 8.478161 4.074333 
13.47768 
1 1 1 20  11  34 o 26.75850 7.486470  207.6243       117.2407 328.9254       
209.4020 152.2383       141.4973 29.94243 11.62421 23.57456 9.437510 6.367867 
14.97294 
1 1 1 20  12  0  o 62.19587 7.230288  840.2377       174.5114 872.5878       
299.8828 823.6729       214.5885 62.33324 11.88585 62.05849 8.236188 0.2747459 
14.46058 
1 1 1 20  12  1  f 130.2236 6.212754  3607.173       323.4869 3726.150       
552.0286 3544.950       399.2121 131.4487 10.00291 128.9985 7.371233 2.450241 
12.42551 
1 1 1 20  12  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  12  3  o 114.6001 6.340871  2798.503       303.0300 2968.409       
460.8509 2669.086       402.2082 117.5419 9.338754 111.6583 8.579877 5.883598 
12.68174 
1 1 1 20  12  4  o 136.9629 4.674381  3976.852       267.6353 3907.920       
360.7846 4061.200       399.0952 135.7113 6.332178 138.2146 6.877708 -2.503281 
9.348762 
1 1 1 20  12  5  f 104.6829 4.492691  2330.331       195.7604 2365.173       
261.4973 2285.910       295.2615 105.6533 5.895293 103.7125 6.781047 1.940758 
8.985381 
1 1 1 20  12  6  o 115.7422 4.936662  2875.431       236.9161 3058.312       
317.8254 2646.731       355.4174 120.0608 6.305339 111.4235 7.597712 8.637245 
9.873324 
1 1 1 20  12  7  o 94.06516 4.647351  1873.264       176.8268 1857.571       
221.7545 1900.665       293.0254 93.66871 5.638959 94.46161 7.388751 
-0.7929001     9.294703 
1 1 1 20  12  8  o 92.57309 4.291840  1810.734       166.4592 1980.022       
242.7871 1660.568       228.6647 96.65534 5.983026 88.49083 6.154914 8.164513 
8.583680 
1 1 1 20  12  9  o 92.77832 5.138865  1854.878       188.5392 1902.132       
232.4578 1764.031       322.3162 94.75629 5.843287 90.80034 8.455041 3.955956 
10.27773 
1 1 1 20  12  10 o 44.98317 7.776753  452.9797       145.5191 417.4353       
197.7328 494.9763       214.9314 43.08216 10.91434 46.88418 11.08101 -3.802021 
15.55351 
1 1 1 20  12  11 o 72.34831 5.973234  1104.391       180.1473 982.0577       
238.4805 1266.968       274.9217 67.75748 8.383330 76.93913 8.511044 -9.181648 
11.94647 
1 1 1 20  12  12 o 134.2922 5.169500  3843.959       288.6042 3863.779       
383.0082 3817.921       438.9915 134.8313 6.766101 133.7531 7.817595 1.078140 
10.33900 
1 1 1 20  12  13 o 54.26735 6.611127  637.0799       147.1653 685.6193       
222.6455 599.4188       196.1161 56.46501 9.391946 52.06968 9.306953 4.395329 
13.22225 
1 1 1 20  12  14 o 34.77598 8.323064  247.4364       147.5565 166.4910       
220.6634 312.9066       198.4521 31.82223 12.04119 37.72973 11.49362 -5.907501 
16.64613 
1 1 1 20  12  15 o 75.26068 5.651674  1215.275       177.1233 1181.115       
265.8210 1242.553       237.5385 74.20837 8.532130 76.31299 7.414069 -2.104614 
11.30335 
1 1 1 20  12  16 o 47.72040 7.876693  509.0104       154.8351 604.4141       
232.3957 432.8564       207.6309 51.73289 11.02677 43.70791 11.25076 8.024986 
15.75339 
1 1 1 20  12  17 o 38.55370 8.201158  320.6053       159.0043 102.1360       
234.7549 505.7843       216.1301 29.94348 12.08570 47.16391 11.08926 -17.22043 
16.40232 
1 1 1 20  12  18 o 87.45560 5.200610  1640.178       190.5894 1644.329       
278.3008 1636.511       261.5469 87.50317 7.575507 87.40802 7.127206 
0.9514618E-01  10.40122 
1 1 1 20  12  19 o 110.7387 5.137120  2634.423       238.1926 2657.384       
350.5045 2614.720       324.6855 111.0960 7.514777 110.3814 7.006292 0.7146606 
10.27424 
1 1 1 20  12  20 o 33.25997 8.629906  213.6939       157.8030 200.5276       
234.7068 224.5556       213.1777 33.10515 12.44643 33.41478 11.95773 
-0.3096313     17.25981 
1 1 1 20  12  21 o 77.13523 6.176437  1297.498       199.5482 1421.535       
292.7719 1189.883       272.7033 80.59317 8.652712 73.67729 8.816126 6.915878 
12.35287 
1 1 1 20  12  22 o 56.50843 7.228840  724.1895       166.8078 728.2330       
249.7640 720.9337       224.1180 55.98514 11.01874 57.03172 9.360120 -1.046574 
14.45768 
1 1 1 20  12  23 o 63.17036 7.697711  929.8893       197.0855 806.2670       
285.8885 1041.847       272.0669 58.09425 12.11837 68.24648 9.495472 -10.15224 
15.39542 
1 1 1 20  12  24 o 24.51142 7.769180  -105.6002      170.1642 69.00257       
250.6007 -254.9810      231.7951 28.57340 12.09124 20.44943 9.759223 8.123970 
15.53836 
1 1 1 20  12  25 o 55.34539 8.044061  741.4082       183.8586 903.2750       
260.9349 581.8031       259.1055 62.61830 9.925489 48.07247 12.66145 14.54583 
16.08812 
1 1 1 20  12  26 o 25.76785 7.949616  -12.96106      169.8875 -171.3322      
244.9877 133.7422       235.7904 22.24143 10.42281 29.29426 12.00627 -7.052826 
15.89923 
1 1 1 20  12  27 o 82.70332 6.056423  1564.442       204.9973 1637.823       
330.6809 1518.638       261.2558 83.47129 9.436110 81.93534 7.594790 1.535950 
12.11285 
1 1 1 20  12  28 o 34.84527 8.488490  280.5344       128.0782 384.4224       
290.8784 255.5486       142.6510 37.55608 13.90798 32.13446 9.735803 5.421619 
16.97698 
1 1 1 20  12  29 o 52.67892 6.978808  713.7209       124.2198 641.8175       
258.5938 735.2899       141.6307 47.91898 12.66179 57.43885 5.873174 -9.519871 
13.95762 
1 1 1 20  12  30 o 47.71897 8.118529  518.2848       129.6005 833.1161       
314.8854 454.0762       142.2034 52.22667 14.05107 43.21127 8.136927 9.015392 
16.23706 
1 1 1 20  12  31 o 20.21971 6.732169  -76.78841      131.6418 -160.2645      
264.5488 -49.31593      151.7657 21.82605 10.41852 18.61337 8.528946 3.212673 
13.46434 
1 1 1 20  12  32 o 28.61144 6.646033  211.7774       118.1804 -82.90284      
200.8284 367.8787       146.1682 20.10702 9.425136 37.11587 9.372610 -17.00885 
13.29207 
1 1 1 20  12  33 o 24.18649 7.550831  41.83416       137.1311 286.6534       
256.0582 -56.62019      162.3803 29.94702 12.42052 18.42597 8.590158 11.52105 
15.10166 
1 1 1 20  12  34 o 29.61561 7.928965  307.1064       137.7475 247.1428       
256.7362 331.3456       163.2314 27.14460 11.87244 32.08661 10.51281 -4.942013 
15.85793 
1 1 1 20  13  0  o 135.5968 6.775845  3960.268       385.6003 3815.570       
540.4330 4110.322       550.3444 133.0405 9.675624 138.1531 9.488445 -5.112518 
13.55169 
1 1 1 20  13  1  o 136.3627 6.645560  3972.205       371.5248 4126.887       
597.7298 3874.824       474.2668 138.1798 10.30342 134.5456 8.396036 3.634201 
13.29112 
1 1 1 20  13  2  o 81.14902 5.854055  1327.423       189.3187 1669.431       
337.3864 1170.243       228.7216 88.18040 9.113317 74.11764 7.350328 14.06277 
11.70811 
1 1 1 20  13  3  f 92.42505 8.711756  1830.162       338.0449 0.000000       
0.000000 1830.162       338.0449 ?        ?        92.42505 8.711756 ? ? 
1 1 1 20  13  4  o 38.18125 12.83353  304.1542       243.2533 304.1542       
243.2533 0.000000       0.000000 38.18125 12.83353 ?        ?        ? ? 
1 1 1 20  13  5  o 131.9459 7.026666  3628.260       337.2058 3508.585       
386.9900 4005.698       687.2599 128.3939 7.179206 135.4978 12.08119 -7.103943 
14.05333 
1 1 1 20  13  6  o 30.53372 7.275837  184.0988       113.4273 251.8504       
159.8186 115.3343       161.0089 33.99680 10.30599 27.07064 10.27316 6.926157 
14.55167 
1 1 1 20  13  7  o 30.43577 7.400625  180.5066       115.9953 127.0952       
163.5537 234.5609       164.5351 27.73558 10.39736 33.13595 10.53432 -5.400364 
14.80125 
1 1 1 20  13  8  o 60.07687 5.172660  768.5024       130.4401 771.5760       
186.5228 765.5604       182.4839 60.18663 7.381640 59.96709 7.248242 0.2195396 
10.34532 
1 1 1 20  13  9  o 54.81126 6.689331  654.7399       151.0275 663.2243       
215.8806 646.6071       211.3615 55.57107 9.253072 54.05145 9.662777 1.519623 
13.37866 
1 1 1 20  13  10 o 136.4144 6.078939  3996.361       346.4003 4125.168       
471.7980 3845.718       510.2232 138.9602 8.086987 133.8687 9.078253 5.091522 
12.15788 
1 1 1 20  13  11 o 124.4341 5.545044  3301.021       289.4246 3223.200       
399.3040 3387.161       420.1042 122.9176 7.737676 125.9505 7.944711 -3.032890 
11.09009 
1 1 1 20  13  12 o 152.1031 5.424913  4930.998       346.1873 4833.454       
479.0829 5037.586       500.8048 150.5592 7.579218 153.6469 7.763645 -3.087692 
10.84983 
1 1 1 20  13  13 o 80.62636 5.486150  1373.015       182.6416 1466.365       
289.2959 1311.150       235.5106 82.78009 8.324104 78.47263 7.148473 4.307465 
10.97230 
1 1 1 20  13  14 o 34.28107 8.212051  236.7548       145.8130 130.7520       
216.9462 324.0960       196.9259 30.28388 11.81631 38.27825 11.40728 -7.994368 
16.42410 
1 1 1 20  13  15 o 59.27310 6.953646  769.4274       168.9032 705.3588       
236.3822 836.2606       241.4280 56.22810 10.40490 62.31811 9.227721 -6.090015 
13.90729 
1 1 1 20  13  16 f 55.24059 7.139089  684.0275       159.7696 559.1179       
232.4328 795.9092       219.9779 49.63958 11.38865 60.84159 8.611912 -11.20202 
14.27818 
1 1 1 20  13  17 o 72.44148 5.278166  1093.292       158.0437 954.5027       
202.9157 1307.323       251.9860 66.79978 7.235385 78.08318 7.686700 -11.28340 
10.55633 
1 1 1 20  13  18 o 50.75987 7.505440  595.7946       157.2735 407.3460       
230.5220 759.8924       215.1133 42.24541 12.27214 59.27433 8.644138 -17.02892 
15.01088 
1 1 1 20  13  19 o 27.52064 8.043570  20.44297       157.3556 180.2775       
236.0648 -107.3633      211.0921 32.51146 12.40959 22.52983 10.23710 9.981630 
16.08714 
1 1 1 20  13  20 o 48.92966 8.069098  552.6055       161.1042 572.2292       
250.1164 538.6909       210.6138 49.44992 12.12432 48.40939 10.65093 1.040531 
16.13820 
1 1 1 20  13  21 o 81.45190 6.034887  1490.850       199.9581 1192.717       
299.9837 1729.224       268.2387 73.42899 9.730861 89.47483 7.140714 -16.04585 
12.06977 
1 1 1 20  13  22 o 40.06136 8.525956  379.5733       157.4562 298.8120       
239.2113 441.3154       209.1561 36.81171 12.71576 43.31100 11.36122 -6.499290 
17.05191 
1 1 1 20  13  23 o 43.51410 8.974669  459.1859       182.5463 289.2862       
268.0043 606.2282       249.3255 36.72255 13.38097 50.30564 11.96362 -13.58309 
17.94934 
1 1 1 20  13  24 o 72.56232 6.652924  1178.889       201.5946 1262.385       
304.5162 1113.745       268.9759 74.67016 9.713694 70.45447 9.093390 4.215691 
13.30585 
1 1 1 20  13  25 o 38.78203 9.072559  366.2975       174.7898 284.5826       
251.7111 442.3946       242.9044 35.48566 12.96417 42.07839 12.69550 -6.592731 
18.14512 
1 1 1 20  13  26 o 75.73919 6.352026  1317.524       201.2400 1203.122       
285.4315 1430.596       283.7684 72.14211 9.423974 79.33627 8.519485 -7.194153 
12.70405 
1 1 1 20  13  27 o 40.23218 7.627327  336.4087       107.2911 544.0994       
257.0634 292.5972       118.0663 45.25535 12.89941 35.20901 8.143084 10.04634 
15.25465 
1 1 1 20  13  28 o 35.12117 8.699284  252.1501       131.4793 489.4917       
301.5836 196.4543       146.0939 41.39323 14.27960 28.84910 9.939977 12.54412 
17.39857 
1 1 1 20  13  29 o 35.84740 8.826097  297.6264       135.5458 474.1528       
315.1108 257.5476       150.1466 39.79838 14.50862 31.89642 10.05484 7.901966 
17.65219 
1 1 1 20  13  30 o 29.58417 7.968972  214.8930       127.7082 146.7187       
279.0355 232.9572       143.6346 28.96612 12.52068 30.20222 9.861577 -1.236105 
15.93794 
1 1 1 20  13  31 o 23.99566 7.152298  77.05006       132.3699 -158.9347      
244.8760 174.4731       157.3385 21.09629 10.05909 26.89504 10.17036 -5.798746 
14.30460 
1 1 1 20  13  32 o 20.75546 6.783960  -33.24212      132.6536 -125.8989      
245.4060 5.007712       157.6744 21.29046 10.11797 20.22045 9.039640 1.070011 
13.56792 
1 1 1 20  13  33 o 22.60977 7.201065  48.39565       138.1726 -29.34580      
260.1117 78.95613       163.0849 22.87505 10.72332 22.34449 9.614138 0.5305653 
14.40213 
1 1 1 20  13  34 o 20.09707 6.580609  -10.35498      133.8068 -213.1437      
251.8120 69.43365       157.9520 19.06934 9.337331 21.12480 9.275338 -2.055458 
13.16122 
1 1 1 20  13  35 o 21.04987 6.708696  73.39875       111.8518 2.180555       
257.2063 90.00814       124.2119 21.64503 10.31801 20.45472 8.577008 1.190306 
13.41739 
1 1 1 20  14  0  o 69.02058 5.785929  944.3834       157.9724 1255.610       
287.9836 810.4260       188.9351 76.40600 8.977622 61.63515 7.301384 14.77084 
11.57186 
1 1 1 20  14  1  o 73.24174 5.988432  1162.129       180.3395 1079.918       
279.1086 1221.047       236.2845 70.82249 9.386919 75.66098 7.438484 -4.838486 
11.97686 
1 1 1 20  14  2  o 165.2259 7.401781  5881.009       508.5587 6101.686       
780.2129 5717.988       670.5916 167.6061 11.08777 162.8458 9.808502 4.760330 
14.80356 
1 1 1 20  14  3  o 44.28505 8.283571  397.1119       158.2954 663.3680       
261.5604 243.2317       198.8445 54.18282 11.82533 34.38727 11.60309 19.79556 
16.56714 
1 1 1 20  14  4  o 50.69939 8.392857  588.9684       177.6777 434.0178       
255.8635 733.2799       246.9233 44.02855 12.97394 57.37024 10.65068 -13.34169 
16.78571 
1 1 1 20  14  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  14  6  o 66.06125 6.994753  965.4941       186.2896 1062.697       
251.7551 847.8619       276.9501 70.46199 8.510290 61.66050 11.10321 8.801491 
13.98951 
1 1 1 20  14  7  o 52.80523 6.056595  589.4702       129.8719 500.7263       
168.5717 719.0684       203.7112 47.63042 8.757535 57.98003 8.368689 -10.34961 
12.11319 
1 1 1 20  14  8  o 66.64757 5.046266  949.2581       140.1687 908.1323       
208.5486 983.1437       189.3029 65.26301 7.611341 68.03214 6.627722 -2.769127 
10.09253 
1 1 1 20  14  9  o 56.04498 6.722162  688.7435       153.5335 719.8840       
208.3619 651.7484       227.1051 57.98692 8.558732 54.10303 10.36812 3.883884 
13.44432 
1 1 1 20  14  10 o 47.42292 7.330043  503.6660       150.4960 775.3079       
214.8363 241.9230       210.8856 60.18311 8.502647 34.66272 11.94249 25.52039 
14.66009 
1 1 1 20  14  11 o 30.50683 7.943993  163.5981       132.7218 167.1125       
205.5745 161.0862       173.7961 31.27297 11.66992 29.74069 10.78151 1.532282 
15.88799 
1 1 1 20  14  12 o 109.4887 4.523996  2532.126       206.9214 2670.710       
311.4948 2422.675       276.8256 112.1131 6.617828 106.8643 6.170131 5.248749 
9.047993 
1 1 1 20  14  13 o 35.07464 7.275182  219.1105       146.1186 -123.0083      
216.8929 503.4202       197.7209 22.75440 10.34917 47.39488 10.22779 -24.64048 
14.55036 
1 1 1 20  14  14 o 63.54329 5.624610  860.2823       143.8394 874.5239       
241.1138 852.4136       179.2242 63.78632 9.003586 63.30026 6.743917 0.4860649 
11.24922 
1 1 1 20  14  15 o 27.88032 8.006777  76.35578       145.8298 100.4213       
217.9056 56.83434       196.2578 29.19802 11.70210 26.56262 10.93137 2.635395 
16.01355 
1 1 1 20  14  16 o 70.08607 6.160851  1014.083       175.1223 1476.029       
277.2088 707.2866       225.9103 82.97292 7.957777 57.19921 9.407343 25.77371 
12.32170 
1 1 1 20  14  17 o 26.19690 7.293313  60.13420       131.7092 -179.4626      
221.7649 190.7045       163.7098 21.74115 10.09817 30.65265 10.52599 -8.911503 
14.58663 
1 1 1 20  14  18 o 64.79396 6.639996  963.0944       167.5790 701.8167       
250.1684 1175.763       225.7009 55.55230 11.11899 74.03561 7.261287 -18.48331 
13.27999 
1 1 1 20  14  19 o 49.39007 6.769124  473.7521       163.2639 1189.458       
254.2469 -28.45960      212.9766 74.13471 8.168740 24.64542 10.79610 49.48929 
13.53825 
1 1 1 20  14  20 o 67.48801 6.331316  993.5318       179.1479 1066.142       
260.0279 927.9263       247.1678 69.85595 8.866201 65.12007 9.040615 4.735878 
12.66263 
1 1 1 20  14  21 o 65.54616 6.227564  943.2211       170.0819 929.7076       
255.3615 953.9955       228.0185 64.94132 9.366028 66.15099 8.210220 -1.209663 
12.45513 
1 1 1 20  14  22 o 61.20578 7.096652  828.9907       176.7786 997.5284       
273.2646 707.6970       231.8215 66.94703 9.722392 55.46453 10.34045 11.48250 
14.19330 
1 1 1 20  14  23 o 42.00241 9.352122  422.6990       184.0611 448.6870       
262.4985 397.5631       258.1590 43.09586 13.23717 40.90897 13.21462 2.186886 
18.70424 
1 1 1 20  14  24 o 83.33830 6.219716  1553.250       217.1272 1438.479       
306.7851 1668.440       307.3442 80.05691 9.127597 86.61969 8.451417 -6.562782 
12.43943 
1 1 1 20  14  25 o 29.12350 8.508127  111.2527       169.4998 90.03156       
246.6676 130.2374       233.3078 28.75642 12.07372 29.49058 11.99075 
-0.7341576     17.01625 
1 1 1 20  14  26 o 30.48731 8.809598  124.3265       189.3054 -58.26979      
281.3914 275.2937       255.8622 26.22211 11.88267 34.75251 13.00916 -8.530399 
17.61920 
1 1 1 20  14  27 o 48.24245 7.893018  578.1318       134.1248 570.8750       
298.4147 579.9689       150.1450 45.53516 14.13964 50.94976 7.019236 -5.414600 
15.78604 
1 1 1 20  14  28 o 43.03683 8.243424  329.0662       127.7208 854.0966       
308.1233 220.1395       140.3458 55.92591 13.29935 30.14776 9.743895 25.77816 
16.48685 
1 1 1 20  14  29 o 28.43826 8.204065  142.6046       124.9363 221.7650       
301.7317 126.2242       137.2553 32.07364 13.40379 24.80288 9.463883 7.270758 
16.40813 
1 1 1 20  14  30 o 40.85426 8.308427  399.3702       133.3708 634.7451       
273.7502 326.1123       152.7220 46.26136 13.35228 35.44715 9.891226 10.81421 
16.61685 
1 1 1 20  14  31 o 24.83799 7.055941  97.59904       131.1194 -217.3698      
241.9837 228.5114       156.0065 20.10718 9.685272 29.56879 10.26356 -9.461617 
14.11188 
1 1 1 20  14  32 o 36.88397 7.560561  426.3067       138.0642 199.6602       
250.4247 525.2802       165.4864 28.66912 12.10714 45.09882 9.058995 -16.42970 
15.12112 
1 1 1 20  14  33 o 27.84076 7.929327  171.8132       128.6948 356.6484       
249.1270 104.5346       150.3028 32.71804 12.68366 22.96347 9.519545 9.754574 
15.85865 
1 1 1 20  14  34 o 32.16533 8.052683  342.8730       131.1363 362.9120       
253.9988 335.5904       153.1223 31.04832 12.55493 33.28233 10.08745 -2.234015 
16.10537 
1 1 1 20  14  35 o 18.86674 6.410915  -55.41087      121.4454 -7.897532      
259.6852 -68.71146      137.3962 21.58289 10.30718 16.15059 7.626366 5.432291 
12.82183 
1 1 1 20  15  0  o 122.4804 6.018978  3224.186       304.7384 3233.004       
474.1723 3217.980       397.7583 122.3680 9.229741 122.5928 7.728147 
-0.2248306     12.03796 
1 1 1 20  15  1  o 51.85291 7.082654  575.7849       143.0076 646.1660       
251.0185 541.9642       174.0076 53.42397 11.52003 50.28185 8.242865 3.142120 
14.16531 
1 1 1 20  15  2  o 67.81083 6.359209  1048.586       166.7747 783.5426       
256.9765 1241.451       219.2101 59.24874 10.72467 76.37292 6.836631 -17.12418 
12.71842 
1 1 1 20  15  3  o 110.1981 5.797252  2607.333       267.1427 2468.032       
388.5694 2732.190       367.8734 107.2851 8.626808 113.1110 7.746658 -5.825905 
11.59450 
1 1 1 20  15  4  o 49.23760 8.769606  550.7892       182.5282 455.7067       
256.6153 648.1562       259.6797 44.95146 12.91253 53.52374 11.86973 -8.572273 
17.53921 
1 1 1 20  15  5  f 114.3171 6.490044  2853.802       292.2971 2950.922       
360.1873 2666.484       500.2236 117.6967 7.289288 110.9375 10.74006 6.759209 
12.98009 
1 1 1 20  15  6  o 116.4220 5.745233  2897.927       280.7325 2833.622       
398.4344 2961.324       395.6119 115.1081 8.244649 117.7358 8.003534 -2.627762 
11.49047 
1 1 1 20  15  7  o 87.28443 8.199783  1628.874       300.4818 1628.874       
300.4818 0.000000       0.000000 87.28443 8.199783 ?        ?        ? ? 
1 1 1 20  15  8  o 37.85584 8.731153  306.5407       158.3560 277.6975       
251.3611 325.5219       203.9093 37.25891 13.01881 38.45276 11.63798 -1.193848 
17.46231 
1 1 1 20  15  9  o 101.4310 5.349337  2193.015       227.6839 2216.683       
327.9170 2170.982       316.3802 101.9389 7.662053 100.9230 7.466897 1.015854 
10.69867 
1 1 1 20  15  10 o 75.54691 5.330823  1213.166       167.4697 1455.940       
244.6129 998.9794       229.7601 82.71387 7.044044 68.37994 8.003259 14.33393 
10.66165 
1 1 1 20  15  11 o 66.39028 5.715322  909.6070       155.5109 1247.875       
244.2144 678.8903       201.6883 76.48342 7.605453 56.29715 8.533269 20.18628 
11.43064 
1 1 1 20  15  12 o 39.76678 7.922065  342.4930       139.0448 453.3086       
210.9773 257.4008       184.8759 44.80781 11.22756 34.72576 11.17937 10.08205 
15.84413 
1 1 1 20  15  13 o 104.5253 5.105885  2313.291       219.4824 2403.344       
350.1312 2254.998       281.7005 106.0437 7.864423 103.0069 6.513916 3.036781 
10.21177 
1 1 1 20  15  14 o 191.1974 7.374213  7926.902       591.8734 8077.137       
843.8257 7781.407       830.4066 192.9886 10.41459 189.4062 10.44282 3.582397 
14.74843 
1 1 1 20  15  15 o 73.70395 5.368061  1145.935       164.5087 1055.033       
215.3002 1273.460       255.0088 70.29086 7.295697 77.11703 7.876365 -6.826180 
10.73612 
1 1 1 20  15  16 o 33.25051 8.391798  214.3169       148.9555 170.9361       
219.1127 251.5912       203.1064 31.78535 12.00716 34.71568 11.72678 -2.930328 
16.78360 
1 1 1 20  15  17 f 39.49721 8.522784  343.6922       153.8093 408.9458       
232.2947 292.7502       205.2462 42.38340 12.32150 36.61102 11.77846 5.772385 
17.04557 
1 1 1 20  15  18 o 121.4656 5.422030  3115.532       273.2581 3571.258       
428.3808 2802.880       354.8204 128.7111 7.927477 114.2201 7.399240 14.49103 
10.84406 
1 1 1 20  15  19 o 51.92490 7.560269  605.2121       158.7798 740.8925       
241.1402 501.3601       210.9691 57.16411 10.43496 46.68569 10.94268 10.47842 
15.12054 
1 1 1 20  15  20 o 83.81565 5.643644  1520.880       198.3058 1590.054       
290.1489 1460.242       271.6572 85.56707 8.076725 82.06423 7.884758 3.502838 
11.28729 
1 1 1 20  15  21 o 57.03174 7.496200  773.3300       170.8410 439.6491       
244.1657 1093.374       239.1245 43.21280 12.65491 70.85069 8.038982 -27.63789 
14.99240 
1 1 1 20  15  22 o 118.8321 4.228864  3045.472       208.6418 3126.978       
277.6370 2939.720       316.2470 120.8858 5.470450 116.7784 6.450376 4.107445 
8.457728 
1 1 1 20  15  23 o 41.87491 7.903283  430.1461       162.9868 107.3019       
250.6230 666.7509       214.5537 29.96602 12.34602 53.78379 9.870329 -23.81777 
15.80657 
1 1 1 20  15  24 o 59.00320 8.323088  828.8574       198.4125 945.8152       
295.7095 733.0864       267.5886 62.94319 11.62737 55.06321 11.91216 7.879974 
16.64618 
1 1 1 20  15  25 o 84.36781 6.555007  1618.764       232.0321 1629.102       
334.4948 1609.176       322.1397 84.51637 9.426916 84.21924 9.110746 0.2971344 
13.11001 
1 1 1 20  15  26 o 45.25956 7.163760  454.5567       116.3999 558.3196       
247.4282 425.0659       131.9080 46.77938 12.39677 43.73973 7.183168 3.039658 
14.32752 
1 1 1 20  15  27 o 23.68162 7.556186  -23.41628      130.6216 32.41722       
284.9022 -38.27623      146.9796 27.99506 12.36303 19.36818 8.691339 8.626886 
15.11237 
1 1 1 20  15  28 o 30.91902 8.086089  228.5748       132.8479 88.77112       
295.3398 264.0367       148.7454 29.17899 12.74824 32.65905 9.950968 -3.480057 
16.17218 
1 1 1 20  15  29 o 39.55344 8.798490  367.4104       138.1443 583.3500       
309.9415 313.8775       154.3207 43.99395 14.48628 35.11294 9.990067 8.881016 
17.59698 
1 1 1 20  15  30 o 53.72592 7.099430  721.2950       145.9254 761.0779       
257.8134 702.5418       177.0087 52.68862 11.93043 54.76321 7.698864 -2.074593 
14.19886 
1 1 1 20  15  31 o 21.15557 6.722609  -23.44920      130.8732 -265.6409      
239.9185 79.14518       156.1514 19.34966 9.391101 22.96148 9.621906 -3.611818 
13.44522 
1 1 1 20  15  32 o 31.44857 8.046944  285.8013       136.3045 223.2629       
250.0441 312.2422       162.5853 29.42653 12.24348 33.47061 10.44559 -4.044081 
16.09389 
1 1 1 20  15  33 o 28.40104 7.917161  222.2095       133.2932 212.8098       
252.4395 225.8433       156.9573 28.32225 12.06601 28.47984 10.25364 
-0.1575966     15.83432 
1 1 1 20  15  34 o 58.39642 6.384027  797.9786       137.9034 1238.888       
287.3513 666.0434       157.1878 65.07983 10.51690 51.71302 7.240024 13.36681 
12.76805 
1 1 1 20  15  35 o 23.80178 7.458893  121.2062       128.6101 265.7993       
261.0800 74.87631       147.7850 27.00519 11.89066 20.59838 9.008471 6.406813 
14.91779 
1 1 1 20  16  0  o 126.1437 5.593621  3434.618       289.1243 3345.910       
458.3473 3493.242       372.6080 124.4492 8.772501 127.8382 6.942449 -3.388947 
11.18724 
1 1 1 20  16  1  o 45.48735 8.037121  408.4373       141.0081 648.2764       
273.6643 321.7461       164.5302 53.15762 12.46521 37.81708 10.14888 15.34053 
16.07424 
1 1 1 20  16  2  o 51.79391 7.365392  626.4905       153.3798 439.7841       
237.3043 760.4523       201.0094 44.02125 12.34465 59.56658 8.037756 -15.54533 
14.73078 
1 1 1 20  16  3  o 85.20724 5.749603  1554.610       205.0470 1548.024       
279.0432 1562.340       302.3130 85.07668 7.812355 85.33780 8.437942 
-0.2611160     11.49921 
1 1 1 20  16  4  o 118.5144 5.948789  2962.579       286.0861 2830.721       
357.6352 3196.892       476.7448 115.1894 7.395183 121.8395 9.320066 -6.650093 
11.89758 
1 1 1 20  16  5  o 71.44070 6.693715  1097.784       200.1659 1079.823       
271.8291 1119.059       295.8485 70.86547 9.136552 72.01592 9.785025 -1.150452 
13.38743 
1 1 1 20  16  6  o 29.58781 8.125634  109.9857       150.6521 210.9048       
208.0375 -1.291042      218.4525 33.17874 11.81873 25.99687 11.15443 7.181871 
16.25127 
1 1 1 20  16  7  o 31.41036 7.625446  119.9392       134.8128 375.8477       
214.5794 -46.94400      173.2814 40.99492 11.81800 21.82581 9.639740 19.16911 
15.25089 
1 1 1 20  16  8  o 39.81176 11.80622  351.7865       211.2914 0.000000       
0.000000 351.7865       211.2914 ?        ?        39.81176 11.80622 ? ? 
1 1 1 20  16  9  o 81.27811 5.841774  1409.127       199.0173 1316.837       
272.9349 1513.911       290.8218 78.44049 8.287812 84.11572 8.235137 -5.675224 
11.68355 
1 1 1 20  16  10 o 116.9698 6.099138  2947.156       285.4055 2980.780       
355.0148 2885.717       479.8909 118.2999 7.147977 115.6396 9.884551 2.660294 
12.19828 
1 1 1 20  16  11 o 25.19796 7.467484  29.24384       133.3992 -15.17063      
202.8212 63.10561       177.0949 24.66382 10.66802 25.73211 10.45211 -1.068289 
14.93497 
1 1 1 20  16  12 o 77.99628 5.123696  1310.776       164.7986 1212.786       
252.4699 1383.524       217.5337 75.30067 7.986047 80.69188 6.421223 -5.391205 
10.24739 
1 1 1 20  16  13 o 49.60456 7.085206  551.5620       143.7986 467.2877       
214.0380 620.8947       194.1390 45.42889 11.26367 53.78022 8.598271 -8.351334 
14.17041 
1 1 1 20  16  14 o 43.32774 8.032274  428.8669       148.8695 360.5465       
219.9153 486.6566       202.2579 40.21079 12.06931 46.44468 10.60196 -6.233887 
16.06455 
1 1 1 20  16  15 o 103.5095 4.897885  2287.302       211.1207 2295.716       
281.6292 2276.509       318.9881 103.8359 6.460276 103.1830 7.363554 0.6529236 
9.795770 
1 1 1 20  16  16 o 99.30650 5.317382  2093.968       220.6293 1901.838       
295.2311 2336.986       332.0355 94.21081 7.464186 104.4022 7.575231 -10.19140 
10.63476 
1 1 1 20  16  17 o 28.36938 8.108875  60.87234       150.7485 190.4134       
236.2435 -28.10312      195.7904 33.03608 12.47121 23.70268 10.36747 9.333393 
16.21775 
1 1 1 20  16  18 f 74.97403 5.417416  1206.059       169.3547 1252.116       
256.7914 1170.607       225.2951 76.14021 8.033181 73.80786 7.270598 2.332344 
10.83483 
1 1 1 20  16  19 o 39.95015 8.028955  359.0695       143.8260 260.7337       
196.3688 472.8706       211.2466 34.67574 11.53063 45.22457 11.17591 -10.54884 
16.05791 
1 1 1 20  16  20 o 134.4114 5.341836  3907.167       301.2266 3988.843       
435.9196 3832.526       416.7257 135.7025 7.651379 133.1204 7.456357 2.582077 
10.68367 
1 1 1 20  16  21 o 75.50539 5.117695  1234.288       161.9135 1230.672       
236.1747 1237.495       222.4056 75.32713 7.467980 75.68364 6.999464 
-0.3565140     10.23539 
1 1 1 20  16  22 o 69.22976 5.548310  1097.186       151.0720 1463.187       
208.7803 694.9426       218.8731 82.50410 6.027468 55.95541 9.316898 26.54869 
11.09662 
1 1 1 20  16  23 o 36.84296 7.956188  157.1910       181.5059 668.0027       
267.8093 -276.7828      246.8465 52.60933 12.32759 21.07659 10.06152 31.53274 
15.91238 
1 1 1 20  16  24 o 37.62582 9.287117  305.2191       188.3195 153.2964       
257.4898 479.9401       276.1349 31.35009 12.65576 43.90155 13.59536 -12.55146 
18.57423 
1 1 1 20  16  25 o 54.63197 7.535735  651.5512       142.3857 818.3170       
309.0461 606.6130       160.4270 56.86400 13.18980 52.39994 7.292354 4.464062 
15.07147 
1 1 1 20  16  26 o 66.08978 5.478848  974.5378       129.6560 988.0125       
262.6850 970.1978       149.0813 65.26373 9.587036 66.91582 5.306587 -1.652092 
10.95770 
1 1 1 20  16  27 o 22.34288 7.336975  -69.24516      127.8530 -55.76130      
299.5235 -72.24937      141.3802 26.66818 12.13794 18.01759 8.245916 8.650599 
14.67395 
1 1 1 20  16  28 o 53.78216 7.331491  597.5264       140.7601 1022.863       
297.6752 475.0304       159.7486 63.13006 11.67035 44.43426 8.877277 18.69580 
14.66298 
1 1 1 20  16  29 o 24.82197 7.365538  84.57023       129.9545 -54.04100      
243.2497 139.9337       153.7322 23.69344 10.83208 25.95051 9.983521 -2.257071 
14.73108 
1 1 1 20  16  30 o 29.78352 7.042813  231.2704       112.5435 82.57133       
194.7753 305.7986       137.8923 24.86306 10.59569 34.70397 9.280958 -9.840906 
14.08563 
1 1 1 20  16  31 o 29.56643 8.156107  192.6860       133.8155 330.1133       
253.6601 139.6924       157.5169 33.69839 12.86343 25.43446 10.03097 8.263927 
16.31221 
1 1 1 20  16  32 f 34.40141 8.189771  325.0168       128.8017 411.8718       
251.8769 294.2622       149.8807 35.94805 12.98454 32.85478 9.984548 3.093269 
16.37954 
1 1 1 20  16  33 o 22.51844 7.154784  31.68572       124.3628 119.0868       
244.6178 1.221443       144.4192 25.81981 11.42217 19.21707 8.619617 6.602737 
14.30957 
1 1 1 20  16  34 o 30.86356 7.832470  155.9402       126.0867 671.0585       
260.3788 -1.851814      144.1101 43.06361 13.17473 18.66350 8.474480 24.40011 
15.66494 
1 1 1 20  16  35 o 23.45412 7.185454  128.2082       110.5724 198.5823       
254.7391 111.8710       122.7377 25.46980 11.43544 21.43845 8.703654 4.031347 
14.37091 
1 1 1 20  17  0  o 59.43929 6.906072  786.7046       156.2085 772.7953       
273.6521 793.4274       190.2501 58.12242 11.62519 60.75616 7.458572 -2.633743 
13.81214 
1 1 1 20  17  1  o 135.3895 6.272533  3961.467       352.2122 4007.875       
542.8123 3927.719       462.8871 135.7613 9.523457 135.0176 8.165934 0.7437592 
12.54507 
1 1 1 20  17  2  f 27.82836 7.663956  113.5901       128.0974 49.29876       
213.7632 149.6128       160.0092 27.15999 11.31170 28.49673 10.34361 -1.336735 
15.32791 
1 1 1 20  17  3  o 72.57089 5.945324  1124.113       178.6105 1406.750       
264.4731 887.1103       242.1829 81.02249 7.774938 64.11929 8.996547 16.90321 
11.89065 
1 1 1 20  17  4  o 119.8446 6.037458  3098.913       299.3697 3163.794       
394.0599 3010.356       460.3799 121.5885 7.719531 118.1007 9.285066 3.487770 
12.07492 
1 1 1 20  17  5  f 60.32446 7.596012  777.5972       183.5779 510.4596       
239.4727 1158.322       285.8869 47.35080 12.02043 73.29813 9.290145 -25.94733 
15.19202 
1 1 1 20  17  6  o 35.08971 8.315797  247.1234       144.4478 327.0562       
220.5423 187.0734       191.1551 38.66117 12.18581 31.51825 11.31883 7.142929 
16.63159 
1 1 1 20  17  7  o 113.1263 4.846169  2708.952       229.4910 2991.754       
338.9926 2469.688       311.8075 118.5554 6.810669 107.6971 6.896101 10.85834 
9.692339 
1 1 1 20  17  8  o 44.34789 8.085810  445.0883       152.4564 507.9995       
215.4514 381.9962       215.7608 47.43755 11.01915 41.25822 11.83637 6.179333 
16.17162 
1 1 1 20  17  9  o 123.3896 5.987187  3249.655       300.2002 3205.329       
378.6196 3324.697       492.6348 122.5797 7.357085 124.1996 9.447696 -1.619965 
11.97437 
1 1 1 20  17  10 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  17  11 o 113.0705 7.506390  2775.615       356.2535 2731.310       
497.3285 2822.309       510.5695 112.1634 10.56120 113.9776 10.66980 -1.814194 
15.01278 
1 1 1 20  17  12 o 51.07016 7.166802  582.6290       147.9488 593.0409       
216.8327 573.5591       202.3770 51.43211 10.40544 50.70821 9.857938 0.7238922 
14.33360 
1 1 1 20  17  13 o 86.27801 4.843479  1527.353       171.4383 1875.418       
281.5333 1322.220       216.1317 93.73916 7.153685 78.81686 6.531611 14.92230 
9.686957 
1 1 1 20  17  14 o 197.8218 6.795220  8509.740       553.5555 8659.373       
720.5720 8294.276       864.6740 200.5852 8.556567 195.0585 10.55866 5.526733 
13.59044 
1 1 1 20  17  15 o 114.5347 4.412792  2760.869       210.9557 2448.910       
281.5319 3160.287       318.5608 107.2392 6.253095 121.8302 6.228140 -14.59100 
8.825583 
1 1 1 20  17  16 o 63.83282 6.020680  885.0066       160.2276 781.7130       
229.3588 983.4688       223.9308 60.04695 9.097992 67.61868 7.888023 -7.571735 
12.04136 
1 1 1 20  17  17 o 68.49828 4.968169  1014.402       141.5954 902.3013       
206.0318 1114.739       194.9219 64.76496 7.577314 72.23158 6.427685 -7.466621 
9.936338 
1 1 1 20  17  18 o 59.90372 6.555892  773.1255       163.6404 876.3420       
250.8400 696.6518       215.9125 63.29385 9.439658 56.51360 9.100095 6.780254 
13.11178 
1 1 1 20  17  19 o 86.99135 5.690016  1654.282       200.4957 1590.058       
325.8019 1693.430       254.3647 85.22717 9.105349 88.75554 6.826254 -3.528374 
11.38003 
1 1 1 20  17  20 o 65.97253 5.740242  939.2710       157.9576 879.4886       
209.4668 1018.085       240.5079 63.63916 7.839925 68.30589 8.386721 -4.666737 
11.48048 
1 1 1 20  17  21 o 21.08200 6.641190  -97.21757      129.5645 50.22450       
164.2149 -340.3618      210.8793 24.10357 9.968701 18.06043 8.777619 6.043137 
13.28238 
1 1 1 20  17  22 o 61.04328 5.658578  835.0085       140.4452 915.4595       
183.6349 721.6348       217.9947 65.04333 6.724711 57.04324 9.102544 8.000092 
11.31716 
1 1 1 20  17  23 o 34.95090 9.153147  243.7657       180.8869 156.3368       
248.5149 342.2754       263.7935 31.36540 12.52682 38.53640 13.34912 -7.170994 
18.30629 
1 1 1 20  17  24 o 62.83415 6.003776  769.0518       122.8910 1076.951       
304.9970 709.3767       134.2729 68.31434 10.63420 57.35396 5.576300 10.96038 
12.00755 
1 1 1 20  17  25 o 66.38960 6.361695  832.3026       146.2798 1338.481       
342.3864 719.2792       161.7888 75.53615 10.79649 57.24305 6.732042 18.29310 
12.72339 
1 1 1 20  17  26 o 40.38113 8.451139  361.5480       129.4792 514.2096       
294.4935 324.9658       144.1604 43.92020 14.10663 36.84205 9.310743 7.078148 
16.90228 
1 1 1 20  17  27 f 57.67654 6.937812  580.3476       136.1177 1266.054       
331.3985 441.1887       149.2922 72.12887 10.94366 43.22421 8.530494 28.90466 
13.87562 
1 1 1 20  17  28 o 64.22142 5.187211  892.1015       130.5113 1066.873       
238.2422 817.1654       156.0014 67.76060 8.374570 60.68224 6.123334 7.078369 
10.37442 
1 1 1 20  17  29 o 43.07249 7.839387  506.1300       140.0727 422.2375       
246.3229 546.2229       170.2854 38.77878 12.91425 47.36620 8.890784 -8.587418 
15.67877 
1 1 1 20  17  30 o 21.06514 6.880080  -95.46538      126.3303 73.00073       
236.5426 -162.6923      149.4255 26.01952 11.38803 16.11077 7.723645 9.908751 
13.76016 
1 1 1 20  17  31 o 23.07346 7.271766  22.26539       123.8815 100.5484       
249.7700 -3.275008      142.6659 26.66648 11.68641 19.48044 8.656909 7.186043 
14.54353 
1 1 1 20  17  32 o 22.35271 7.043483  39.11641       122.6481 -15.55706      
246.9581 57.01639       141.3062 23.46854 10.80639 21.23688 9.036850 2.231663 
14.08697 
1 1 1 20  17  33 o 26.49583 7.656100  166.8119       121.4130 184.2289       
256.3528 161.7752       137.8548 27.66868 11.98096 25.32297 9.535203 2.345711 
15.31220 
1 1 1 20  17  34 o 17.35932 5.927190  -107.9450      115.3375 -341.7685      
260.6529 -51.01511      128.6142 18.22574 9.037006 16.49289 7.671952 1.732849 
11.85438 
1 1 1 20  17  35 o 39.63074 7.892946  535.5909       131.0311 551.8610       
272.1797 530.6826       149.4946 35.28549 13.36680 43.97599 8.397792 -8.690502 
15.78589 
1 1 1 20  18  0  o 52.83842 7.462958  632.7367       162.2832 545.1174       
232.0714 716.5818       227.0182 48.49123 11.54869 57.18562 9.455728 -8.694389 
14.92592 
1 1 1 20  18  1  o 58.06024 6.294600  721.9705       151.5991 804.2109       
237.4857 665.4107       196.9469 60.71224 9.317135 55.40824 8.466344 5.304001 
12.58920 
1 1 1 20  18  2  o 25.54987 7.502732  35.19271       130.2412 105.9820       
208.1503 -10.35398      166.9635 28.72521 11.46693 22.37453 9.678505 6.350681 
15.00546 
1 1 1 20  18  3  o 48.04835 7.723810  524.5795       153.1447 423.5787       
212.4944 633.7379       220.9092 43.04777 11.52516 53.04893 10.28590 -10.00116 
15.44762 
1 1 1 20  18  4  o 103.1059 6.390783  2316.884       273.5357 2445.656       
367.4588 2156.844       409.6465 106.6096 8.209816 99.60213 9.796292 7.007454 
12.78157 
1 1 1 20  18  5  o 37.90368 8.503242  312.8687       165.8349 458.5810       
213.8264 92.93705       262.6982 44.87284 11.33895 30.93452 12.67473 13.93832 
17.00648 
1 1 1 20  18  6  o 73.95352 5.549545  1170.861       169.1724 1179.210       
265.9585 1165.188       219.2435 74.03104 8.556993 73.87600 7.068781 0.1550369 
11.09909 
1 1 1 20  18  7  o 78.22821 5.278116  1302.194       172.9354 1419.186       
254.6793 1202.098       235.5720 81.47675 7.445279 74.97968 7.483438 6.497078 
10.55623 
1 1 1 20  18  8  o 35.53048 8.118088  258.9485       146.0113 389.8769       
204.4144 122.5610       208.6324 41.53688 11.38689 29.52407 11.57377 12.01281 
16.23618 
1 1 1 20  18  9  o 81.32114 6.732608  1416.408       228.8123 1582.934       
343.5045 1283.586       306.7798 85.56901 9.561742 77.07327 9.480779 8.495743 
13.46522 
1 1 1 20  18  10 o 89.49750 6.199742  1700.484       231.3560 1489.429       
307.6119 1975.350       351.0472 83.18028 8.808538 95.81470 8.726789 -12.63442 
12.39948 
1 1 1 20  18  11 o 40.29065 14.15506  332.9623       297.4926 0.000000       
0.000000 332.9623       297.4926 ?        ?        40.29065 14.15506 ? ? 
1 1 1 20  18  12 o 27.29448 12.13920  -81.84670      281.0753 -81.84670      
281.0753 0.000000       0.000000 27.29448 12.13920 ?        ?        ? ? 
1 1 1 20  18  13 o 55.05060 9.845471  703.0955       227.7677 653.6414       
313.1411 758.6526       331.9013 53.01886 13.89851 57.08233 13.94864 -4.063473 
19.69094 
1 1 1 20  18  14 o 84.97842 4.861288  1543.753       171.3608 1537.003       
263.0037 1548.731       225.8900 84.69997 7.396047 85.25689 6.310860 
-0.5569229     9.722575 
1 1 1 20  18  15 o 70.31216 5.940617  1075.351       173.2724 1001.995       
260.3477 1133.680       232.1566 67.96999 9.123417 72.65434 7.610979 -4.684349 
11.88123 
1 1 1 20  18  16 o 92.67674 5.349798  1841.452       207.0628 2116.674       
301.3905 1595.417       284.9617 99.31208 7.228506 86.04140 7.888604 13.27068 
10.69960 
1 1 1 20  18  17 o 32.85036 8.127033  181.3738       148.3819 364.8531       
221.0817 30.97513       200.1618 40.02887 12.11876 25.67186 10.83192 14.35701 
16.25407 
1 1 1 20  18  18 o 44.99577 8.191350  463.6483       157.1171 583.0585       
231.8111 362.1795       213.6879 50.23090 11.27064 39.76064 11.88973 10.47026 
16.38270 
1 1 1 20  18  19 o 60.09033 6.552804  839.8724       153.1462 1041.979       
206.7038 593.9212       228.0254 69.51360 7.082715 50.66706 11.02688 18.84655 
13.10561 
1 1 1 20  18  20 o 53.47465 5.740623  621.8087       128.5412 562.2418       
177.3742 687.6918       186.5414 50.73258 8.327690 56.21671 7.903705 -5.484131 
11.48125 
1 1 1 20  18  21 f 29.22561 7.819628  147.3978       130.1899 114.5544       
169.8986 194.1140       202.6282 26.91763 10.46627 31.53359 11.62082 -4.615955 
15.63926 
1 1 1 20  18  22 o 33.71407 7.755297  222.9037       131.7918 98.32288       
171.5639 402.2524       205.8492 26.23619 10.43017 41.19195 11.47998 -14.95576 
15.51059 
1 1 1 20  18  23 o 46.08438 7.605560  464.6950       117.7886 544.5969       
283.2699 447.9915       129.5166 46.80169 13.60657 45.36708 6.799950 1.434608 
15.21112 
1 1 1 20  18  24 o 99.02306 5.738521  1948.334       191.4219 2606.229       
450.6744 1803.518       211.4428 106.6104 10.06895 91.43571 5.508053 15.17468 
11.47704 
1 1 1 20  18  25 o 43.73049 8.367888  421.8076       133.4654 583.6514       
300.1391 381.9169       149.0084 47.17835 14.08764 40.28263 9.034642 6.895721 
16.73578 
1 1 1 20  18  26 o 28.82772 8.012063  161.3062       129.7157 31.53459       
294.9647 192.4207       144.4316 28.59085 12.60882 29.06461 9.888900 
-0.4737606     16.02413 
1 1 1 20  18  27 o 29.08254 8.073774  154.1473       128.4302 223.7646       
257.5576 131.1085       148.1650 32.34032 12.80386 25.82476 9.838921 6.515560 
16.14755 
1 1 1 20  18  28 o 21.96048 6.616001  37.99916       107.7368 -78.39678      
194.0258 89.88460       129.5428 20.96550 9.622133 22.95546 9.082975 -1.989958 
13.23200 
1 1 1 20  18  29 o 21.48256 6.920941  -77.01933      119.6321 98.10549       
234.3447 -138.7439      139.1266 26.99174 11.56621 15.97337 7.603977 11.01837 
13.84188 
1 1 1 20  18  30 o 33.85688 8.134822  243.3472       129.6324 518.3826       
249.6194 141.7798       151.6915 42.06607 12.90581 25.64770 9.906636 16.41837 
16.26964 
1 1 1 20  18  31 o 22.46068 6.836398  46.47785       104.9775 119.1458       
201.2004 19.29578       123.0549 25.82526 10.87654 19.09610 8.285309 6.729164 
13.67280 
1 1 1 20  18  32 o 35.19518 8.108214  283.5322       121.2235 582.2244       
255.6768 196.9158       137.6827 42.84980 13.04444 27.54056 9.634068 15.30924 
16.21643 
1 1 1 20  18  33 o 28.81705 7.901988  199.3786       115.6629 343.2412       
255.9734 162.4699       129.6536 32.36475 12.77993 25.26935 9.297255 7.095396 
15.80398 
1 1 1 20  18  34 o 29.42690 8.018650  188.2635       121.5352 528.1486       
261.1052 94.25787       137.3176 37.18510 13.24113 21.66869 9.048059 15.51641 
16.03730 
1 1 1 20  18  35 o 18.79697 6.339545  -37.79413      116.9135 -57.82729      
254.7651 -32.44973      131.5876 20.82214 10.00714 16.77181 7.785662 4.050323 
12.67909 
1 1 1 20  19  0  o 160.4542 5.693521  5585.393       382.0391 5457.598       
515.5660 5741.016       568.9381 158.6336 7.741232 162.2748 8.350931 -3.641220 
11.38704 
1 1 1 20  19  1  o 69.71369 5.298223  1058.854       153.1273 979.4716       
229.9909 1122.062       205.2280 67.16460 8.156264 72.26279 6.764614 -5.098190 
10.59645 
1 1 1 20  19  2  o 24.29409 7.228515  34.73652       121.3371 0.4224187      
207.4979 52.56736       149.5765 25.11300 10.82535 23.47518 9.582146 1.637819 
14.45703 
1 1 1 20  19  3  o 77.37790 5.991055  1289.233       191.4519 1343.865       
301.4309 1252.292       247.8680 78.54382 9.141067 76.21197 7.746730 2.331856 
11.98211 
1 1 1 20  19  4  o 47.61810 8.412817  524.1719       167.7863 541.9032       
231.1778 504.4346       243.9048 48.54710 11.50381 46.68910 12.27861 1.857998 
16.82563 
1 1 1 20  19  5  o 70.97488 5.832307  1093.216       170.4410 1123.884       
222.4459 1049.614       265.2421 72.38993 7.319261 69.55983 9.082491 2.830101 
11.66461 
1 1 1 20  19  6  o 121.7221 5.305202  3187.278       269.0771 3097.905       
402.6284 3259.411       361.7160 120.0002 7.991778 123.4440 6.979411 -3.443794 
10.61040 
1 1 1 20  19  7  o 133.2161 5.405016  3825.256       298.2900 3690.126       
455.7942 3926.488       394.5040 130.8931 8.294170 135.5391 6.932787 -4.645966 
10.81003 
1 1 1 20  19  8  o 106.6694 6.242829  2442.919       274.4503 2535.112       
434.5855 2381.758       353.9659 108.0675 9.578585 105.2713 8.008895 2.796181 
12.48566 
1 1 1 20  19  9  o 120.7789 6.608928  3149.575       332.3560 3246.783       
506.4351 3076.038       440.4808 122.1924 9.871902 119.3654 8.789611 2.826981 
13.21786 
1 1 1 20  19  10 f 58.73243 8.651849  788.9680       206.4629 818.6328       
293.2328 759.8036       290.7484 59.91590 12.08079 57.54896 12.38840 2.366940 
17.30370 
1 1 1 20  19  11 o 34.87128 9.374385  197.2000       192.7618 289.1373       
277.8976 111.9460       267.6062 38.08080 13.65024 31.66177 12.85252 6.419029 
18.74877 
1 1 1 20  19  12 o 49.97594 9.615377  571.0557       214.1312 783.9766       
309.9639 376.6745       296.1619 58.22045 13.01151 41.73144 14.16059 16.48901 
19.23075 
1 1 1 20  19  13 o 65.96323 12.69535  998.3920       339.0352 0.000000       
0.000000 998.3920       339.0352 ?        ?        65.96323 12.69535 ? ? 
1 1 1 20  19  14 o 44.80421 10.16965  454.2493       215.1230 474.3623       
326.2730 438.7816       286.1250 45.68671 14.86303 43.92171 13.88443 1.764999 
20.33930 
1 1 1 20  19  15 o 49.87470 8.730257  560.7198       181.0163 454.4326       
236.4721 711.1464       281.3209 44.35713 12.28543 55.39227 12.40717 -11.03514 
17.46051 
1 1 1 20  19  16 o 23.96593 7.288327  -39.75043      142.3351 -223.0120      
216.8936 98.87025       188.6362 20.48183 9.645227 27.45002 10.92925 -6.968189 
14.57665 
1 1 1 20  19  17 o 97.91920 4.839350  2061.062       198.7973 1986.162       
282.5265 2134.512       279.7774 96.10375 7.002286 99.73466 6.681709 -3.630913 
9.678700 
1 1 1 20  19  18 o 80.42270 5.136682  1382.092       168.2164 1340.206       
212.0637 1453.175       276.2561 79.04514 6.390167 81.80027 8.044113 -2.755135 
10.27336 
1 1 1 20  19  19 o 57.28640 6.764513  822.4496       144.5076 1098.177       
188.9998 434.4148       224.2110 71.52589 6.293890 43.04691 11.97587 28.47898 
13.52903 
1 1 1 20  19  20 o 37.47299 7.386797  289.2802       114.9757 218.3539       
138.2777 448.1608       206.9589 31.22827 9.610591 43.71772 11.22032 -12.48945 
14.77359 
1 1 1 20  19  21 o 82.01299 4.805916  1460.058       162.8723 1481.124       
213.4150 1430.675       252.0479 82.95519 6.127769 81.07077 7.405251 1.884422 
9.611832 
1 1 1 20  19  22 o 26.85606 6.901306  128.0905       94.84991 190.2397       
170.5652 100.2677       114.1229 30.21235 10.70759 23.49978 8.709743 6.712563 
13.80261 
1 1 1 20  19  23 o 26.27474 7.966757  -1.506807      126.9529 189.2746       
288.8864 -47.16927      141.3314 33.49741 13.45365 19.05207 8.536749 14.44535 
15.93351 
1 1 1 20  19  24 o 31.78145 7.974974  231.1078       132.9404 24.02569       
288.0175 287.1700       149.8590 28.71444 12.56687 34.84845 9.822153 -6.134010 
15.94995 
1 1 1 20  19  25 o 45.47666 7.764890  580.1072       135.9796 304.9929       
302.2822 649.9028       152.2544 36.61123 14.02278 54.34210 6.673514 -17.73087 
15.52978 
1 1 1 20  19  26 o 39.98859 7.796004  430.0611       137.2031 261.4546       
255.0355 498.7344       162.7636 33.93524 12.91444 46.04193 8.736592 -12.10669 
15.59201 
1 1 1 20  19  27 o 27.98593 7.465080  163.1342       127.5707 -28.22729      
235.7869 242.3350       151.6901 24.39357 10.97478 31.57829 10.12244 -7.184715 
14.93016 
1 1 1 20  19  28 o 23.71378 7.310441  37.53182       125.8065 32.97190       
237.3100 39.31431       148.3719 25.65872 11.31346 21.76884 9.261527 3.889872 
14.62088 
1 1 1 20  19  29 o 59.15128 6.956238  918.8611       142.5062 744.5644       
270.7397 985.6564       167.6026 51.89426 12.54669 66.40829 6.011454 -14.51404 
13.91248 
1 1 1 20  19  30 o 34.45724 7.468328  342.2507       126.2908 156.5010       
244.2886 410.0019       147.5358 28.43209 11.98006 40.48240 8.920864 -12.05030 
14.93666 
1 1 1 20  19  31 o 43.93429 7.637465  500.8473       124.5704 584.7498       
256.5605 474.9659       142.4941 43.81363 13.01303 44.05495 7.999036 
-0.2413139     15.27493 
1 1 1 20  19  32 o 21.77243 6.708242  34.04312       98.97626 133.0484       
203.1596 3.231114       113.3361 25.83098 10.90656 17.71387 7.813390 8.117109 
13.41648 
1 1 1 20  19  33 o 26.46653 7.755704  141.2974       119.7661 288.8391       
258.1160 100.8167       135.2015 30.54203 12.54713 22.39104 9.119943 8.150991 
15.51141 
1 1 1 20  19  34 o 25.39613 7.629915  127.8756       113.7984 318.8705       
265.9475 85.06696       125.9073 29.88842 12.54228 20.90383 8.692154 8.984591 
15.25983 
1 1 1 20  19  35 o 18.72261 6.080094  -10.41076      114.6117 -397.5320      
262.3933 80.86124       127.4084 17.20069 8.600346 20.24453 8.596756 -3.043835 
12.16019 
1 1 1 20  20  0  o 60.94207 5.510199  821.5270       137.5993 626.9624       
195.5708 1012.255       193.6333 53.40168 8.723087 68.48247 6.734753 -15.08079 
11.02040 
1 1 1 20  20  1  f 44.90547 6.969176  480.1780       130.2525 314.1493       
199.5988 603.3221       171.8989 37.11372 11.57190 52.69722 7.769739 -15.58349 
13.93835 
1 1 1 20  20  2  o 89.04152 4.954555  1715.900       183.8038 1644.312       
273.8541 1774.585       247.9480 87.18142 7.481977 90.90161 6.496958 -3.720192 
9.909109 
1 1 1 20  20  3  o 86.84177 5.287057  1589.441       190.4156 1340.130       
248.3009 1945.395       296.6912 78.76335 7.508879 94.92018 7.445041 -16.15683 
10.57411 
1 1 1 20  20  4  o 117.1691 5.855573  2963.571       276.5022 2925.535       
345.0503 3031.824       462.2155 116.6478 7.045743 117.6903 9.354595 -1.042435 
11.71115 
1 1 1 20  20  5  o 133.5137 6.619715  3844.662       346.1032 3756.708       
418.2008 4035.857       616.5905 132.0388 7.544044 134.9886 10.87979 -2.949799 
13.23943 
1 1 1 20  20  6  o 163.1801 7.332868  5808.709       456.7075 5976.988       
845.9324 5739.481       542.5770 163.2784 12.34037 163.0818 7.924594 0.1966248 
14.66574 
1 1 1 20  20  7  o 65.15181 6.652377  911.4175       174.5702 974.3900       
295.1335 877.5290       216.5056 66.54362 10.56411 63.75999 8.088015 2.783630 
13.30475 
1 1 1 20  20  8  o 84.93995 6.526045  1528.398       227.2000 1756.510       
372.3453 1393.085       286.7753 89.63703 9.894172 80.24287 8.512486 9.394165 
13.05209 
1 1 1 20  20  9  o 27.50623 8.335551  12.25828       171.4243 18.03698       
255.3426 7.516663       231.2979 28.27522 12.09331 26.73724 11.47509 1.537977 
16.67110 
1 1 1 20  20  10 o 43.95300 9.717352  433.0303       205.6717 578.1276       
289.6505 285.4764       292.0923 49.74493 13.51814 38.16108 13.96308 11.58385 
19.43470 
1 1 1 20  20  11 o 77.63103 7.010293  1255.914       222.9863 984.1362       
283.2626 1698.767       361.5863 67.05632 10.06168 88.20574 9.764188 -21.14942 
14.02059 
1 1 1 20  20  12 o 68.83313 8.469184  1044.604       237.3609 909.2260       
308.2906 1241.676       371.9612 62.97965 12.09089 74.68660 11.86250 -11.70695 
16.93837 
1 1 1 20  20  13 o 42.14515 10.17094  391.7488       216.9524 446.0369       
287.3929 319.8232       330.7999 44.11484 13.91178 40.17547 14.84097 3.939369 
20.34188 
1 1 1 20  20  14 o 64.95709 7.383556  917.4308       194.8865 781.6338       
253.0731 1115.307       305.4900 58.71347 10.65962 71.20071 10.21959 -12.48724 
14.76711 
1 1 1 20  20  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  20  16 o 53.77987 8.513702  675.3010       187.1844 692.1473       
255.0766 655.6426       275.5441 54.72711 11.46975 52.83263 12.58481 1.894482 
17.02740 
1 1 1 20  20  17 o 22.48026 6.891630  -40.04363      120.8383 -115.6327      
156.2324 72.50648       190.6403 18.50680 8.549692 26.45371 10.81115 -7.946913 
13.78326 
1 1 1 20  20  18 o 46.84389 7.686111  481.9499       146.8938 362.0368       
186.9939 675.2036       237.3876 39.55206 10.91215 54.13572 10.82729 -14.58366 
15.37222 
1 1 1 20  20  19 o 32.21803 7.761909  199.2458       126.3468 119.1861       
161.3622 326.1073       203.1232 26.77794 10.24860 37.65811 11.65998 -10.88016 
15.52382 
1 1 1 20  20  20 o 57.09805 5.969110  675.1483       133.7591 465.2968       
167.9117 1039.568       221.2716 45.13140 9.180769 69.06471 7.631159 -23.93332 
11.93822 
1 1 1 20  20  21 o 101.8107 4.318574  2341.027       172.2778 1887.746       
283.9402 2605.114       216.7288 93.08265 7.265730 110.5388 4.670063 -17.45620 
8.637148 
1 1 1 20  20  22 o 51.01533 5.929479  527.6621       118.1377 718.7453       
221.7101 451.8968       139.6078 56.58964 9.331892 45.44102 7.317834 11.14861 
11.85896 
1 1 1 20  20  23 o 54.38828 6.708760  725.1204       121.0813 597.8179       
252.0720 763.3029       138.0504 49.28170 12.22635 59.49487 5.526872 -10.21317 
13.41752 
1 1 1 20  20  24 o 39.83034 7.401875  443.6261       131.0672 102.1876       
289.6134 531.5673       146.9801 30.57892 12.97206 49.08176 7.132791 -18.50284 
14.80375 
1 1 1 20  20  25 o 39.50797 7.457228  421.1522       134.3803 171.9173       
260.7517 511.2863       156.8077 31.30362 12.69494 47.71233 7.828125 -16.40871 
14.91446 
1 1 1 20  20  26 o 55.58870 6.663448  710.2503       137.5014 781.2523       
256.6743 681.6732       162.8380 55.91693 11.32885 55.26047 7.018788 0.6564636 
13.32690 
1 1 1 20  20  27 o 34.98851 7.998529  306.3639       126.4206 299.0585       
243.2182 309.0682       147.9818 34.59433 12.73332 35.38268 9.683415 
-0.7883453     15.99706 
1 1 1 20  20  28 o 26.22242 7.587362  95.51248       116.5690 207.6587       
235.5227 59.12796       134.1525 30.69407 12.21493 21.75077 9.003767 8.943295 
15.17472 
1 1 1 20  20  29 o 26.50507 7.615662  90.80949       113.5276 270.9722       
242.1813 40.06950       128.5237 32.51242 12.52589 20.49772 8.665751 12.01470 
15.23132 
1 1 1 20  20  30 o 33.40940 6.197443  327.1879       121.4694 -195.0851      
250.9693 486.9622       138.8114 21.05067 10.07203 45.76814 7.224089 -24.71746 
12.39489 
1 1 1 20  20  31 f 26.24297 7.675116  114.1743       117.7130 247.7384       
250.1234 76.17617       133.4106 30.65216 12.43238 21.83379 9.003641 8.818369 
15.35023 
1 1 1 20  20  32 o 28.07461 7.415502  214.3600       120.1580 55.55147       
256.7447 258.8991       135.9675 25.11572 11.36742 31.03349 9.525773 -5.917776 
14.83100 
1 1 1 20  20  33 o 22.13781 6.522696  92.98898       97.65176 -23.55241      
206.9666 126.3627       110.7548 21.28930 9.837166 22.98632 8.568103 -1.697021 
13.04539 
1 1 1 20  20  34 o 22.62427 6.877784  38.81961       96.90167 289.8268       
215.6692 -24.66998      108.4667 29.33634 11.68432 15.91220 7.258955 13.42414 
13.75557 
1 1 1 20  20  35 o 32.07616 7.130694  341.5645       106.4457 298.1130       
223.3434 354.3353       121.0821 28.30239 11.65669 35.84993 8.216376 -7.547546 
14.26139 
1 1 1 20  21  0  o 51.33567 6.445239  611.0760       132.3557 445.8508       
191.7605 761.4037       182.9112 43.57533 10.57419 59.09602 7.372303 -15.52069 
12.89048 
1 1 1 20  21  1  o 53.90764 5.944604  633.9471       129.5801 808.1804       
197.1363 501.3996       171.9439 60.87026 7.714053 46.94503 9.046914 13.92523 
11.88921 
1 1 1 20  21  2  f 31.18273 7.696752  196.1403       124.4590 258.2679       
186.1676 145.9346       167.3548 34.12091 11.22713 28.24455 10.53145 5.876362 
15.39350 
1 1 1 20  21  3  o 43.34582 6.916517  429.6074       138.4335 727.9393       
196.1168 133.3495       195.4339 57.80222 8.081489 28.88942 11.22686 28.91280 
13.83303 
1 1 1 20  21  4  o 120.1871 5.986555  3052.609       284.4238 2867.231       
343.8400 3454.347       506.1730 115.2710 7.104888 125.1032 9.637217 -9.832138 
11.97311 
1 1 1 20  21  5  o 35.77894 8.960770  263.7930       171.8684 342.1846       
234.3210 172.5115       252.8527 38.91425 12.59168 32.64363 12.75270 6.270618 
17.92154 
1 1 1 20  21  6  o 42.57398 8.129560  402.8049       145.9986 512.8602       
237.3772 335.8412       185.1626 46.85400 12.01154 38.29396 10.95819 8.560036 
16.25912 
1 1 1 20  21  7  o 89.03680 5.915494  1601.860       206.5807 2069.325       
382.0732 1408.747       245.5710 97.19564 9.363127 80.87797 7.232159 16.31767 
11.83099 
1 1 1 20  21  8  o 47.56248 8.733747  530.7615       175.8865 496.2209       
262.9591 558.7258       236.6051 46.03434 13.02258 49.09061 11.64155 -3.056274 
17.46749 
1 1 1 20  21  9  o 37.60631 9.431412  263.7057       202.2164 45.17695       
293.2319 461.8712       279.2356 30.62686 13.02480 44.58576 13.64408 -13.95890 
18.86282 
1 1 1 20  21  10 o 49.09629 10.34368  565.5973       227.7833 622.3420       
344.3404 521.4463       303.7354 51.07087 15.05144 47.12170 14.19230 3.949165 
20.68737 
1 1 1 20  21  11 o 71.81783 7.235270  1136.504       218.1178 1108.705       
305.7686 1165.307       311.2344 70.91101 10.27070 72.72466 10.19359 -1.813644 
14.47054 
1 1 1 20  21  12 o 33.54427 8.954594  78.43705       180.5965 -107.0508      
222.1417 440.0049       310.1467 23.17818 10.52368 43.91037 14.49107 -20.73220 
17.90919 
1 1 1 20  21  13 o 43.84787 9.637554  445.4934       205.9148 595.4825       
277.2693 261.0341       307.4838 50.25514 13.03395 37.44060 14.20021 12.81454 
19.27511 
1 1 1 20  21  14 o 85.86632 5.907419  1604.305       212.7340 1666.693       
298.6301 1540.026       303.1229 87.64592 8.115644 84.08671 8.586426 3.559212 
11.81484 
1 1 1 20  21  15 o 23.40847 7.681977  -195.3285      182.6608 -269.2329      
278.1381 -139.2818      242.2145 23.21525 10.92951 23.60169 10.79800 
-0.3864384     15.36395 
1 1 1 20  21  16 o 71.58683 6.565084  1135.372       195.1726 961.8810       
278.1764 1303.576       273.9046 65.87647 10.05799 77.29719 8.440276 -11.42072 
13.13017 
1 1 1 20  21  17 o 49.32531 12.20136  574.8112       251.6018 574.8112       
251.6018 0.000000       0.000000 49.32531 12.20136 ?        ?        ? ? 
1 1 1 20  21  18 o 30.71784 8.625872  118.4266       169.0856 241.1232       
253.3878 19.93319       227.0247 34.91607 12.97070 26.51961 11.37469 8.396461 
17.25174 
1 1 1 20  21  19 o 55.87704 6.535560  705.6415       148.3521 750.6764       
201.2918 652.0953       219.4907 58.52953 8.191667 53.22455 10.18581 5.304977 
13.07112 
1 1 1 20  21  20 f 41.23864 6.728707  427.3683       110.3714 269.4334       
204.1530 492.5942       131.1977 34.75298 11.75695 47.72431 6.547985 -12.97134 
13.45741 
1 1 1 20  21  21 o 33.11666 7.495391  222.2025       108.4957 335.1943       
206.2032 178.9462       127.5840 37.72239 11.76181 28.51093 9.294266 9.211468 
14.99078 
1 1 1 20  21  22 o 25.85173 7.155106  110.6281       107.5936 53.52017       
204.0176 132.6305       126.6353 25.98376 10.94829 25.71971 9.215049 0.2640533 
14.31021 
1 1 1 20  21  23 o 34.79449 8.359029  266.3042       127.6314 293.7948       
280.9816 259.1576       143.2640 36.36654 13.62895 33.22244 9.682205 3.144096 
16.71806 
1 1 1 20  21  24 o 66.00570 4.961897  945.8691       132.1566 1025.659       
222.9933 902.6724       164.0756 67.69859 7.845728 64.31281 6.076698 3.385773 
9.923795 
1 1 1 20  21  25 o 19.04696 6.369132  -139.9918      122.5445 -200.9038      
230.6176 -116.0256      144.6573 20.90626 9.875193 17.18765 8.046362 3.718613 
12.73826 
1 1 1 20  21  26 o 34.69865 7.823193  306.0948       125.7425 237.8230       
237.2868 332.7522       148.2726 32.46023 12.42663 36.93707 9.507267 -4.476837 
15.64639 
1 1 1 20  21  27 o 58.74052 6.755171  875.6014       140.2570 722.6953       
259.9905 938.3681       166.5750 52.43521 12.05498 65.04583 6.099742 -12.61062 
13.51034 
1 1 1 20  21  28 o 36.97558 7.702960  257.5134       126.6509 653.3613       
245.3595 113.7303       147.8743 49.32785 11.95537 24.62331 9.716551 24.70454 
15.40592 
1 1 1 20  21  29 o 27.50618 7.760835  109.1388       114.8592 313.9085       
248.2222 53.34864       129.5646 33.96748 12.79404 21.04488 8.788334 12.92260 
15.52167 
1 1 1 20  21  30 o 24.21425 7.322675  81.78775       115.6895 85.99790       
245.3057 80.58348       131.1962 26.34602 11.56348 22.08248 8.987330 4.263538 
14.64535 
1 1 1 20  21  31 o 47.71403 7.167070  528.8702       120.7507 761.6002       
261.7263 465.9366       136.1013 51.02930 12.33513 44.39876 7.301508 6.630539 
14.33414 
1 1 1 20  21  32 o 23.33514 7.276217  57.72847       117.2628 131.9583       
251.8425 37.18049       132.5026 26.69417 11.71641 19.97611 8.631277 6.718063 
14.55243 
1 1 1 20  21  33 o 37.71914 8.135036  342.4331       118.7820 690.8091       
267.5082 256.8775       132.5675 45.02192 13.26564 30.41636 9.420084 14.60557 
16.27007 
1 1 1 20  21  34 o 19.16348 6.412749  -21.70862      104.5977 -27.52627      
260.5846 -20.59126      114.2015 21.97582 10.43539 16.35112 7.456278 5.624701 
12.82550 
1 1 1 20  21  35 o 21.27657 6.778697  75.13795       110.5142 44.24069       
262.7564 81.77840       121.8125 22.47929 10.59470 20.07384 8.459030 2.405443 
13.55739 
1 1 1 20  22  0  f 134.7621 5.326523  3985.063       298.3208 3947.277       
394.4340 4035.568       456.0121 134.4379 6.988333 135.0863 8.040559 
-0.6483459     10.65305 
1 1 1 20  22  1  o 29.59154 7.472491  167.1786       126.7480 27.62791       
191.8957 275.1750       168.8123 24.67581 10.51652 34.50728 10.61863 -9.831472 
14.94498 
1 1 1 20  22  2  o 45.87317 7.614443  514.8717       148.2797 339.9377       
235.6526 629.5302       190.7823 38.32768 12.63144 53.41867 8.506799 -15.09099 
15.22889 
1 1 1 20  22  3  o 78.40530 5.481920  1334.617       178.9984 1395.893       
273.2449 1288.554       236.9095 79.81460 8.154377 76.99600 7.328841 2.818596 
10.96384 
1 1 1 20  22  4  o 50.94464 8.609033  619.5389       181.6747 571.8640       
268.3168 659.8985       246.8741 48.81717 12.89695 53.07211 11.40748 -4.254940 
17.21807 
1 1 1 20  22  5  o 37.37218 9.131047  306.4046       174.1676 308.4310       
255.7923 304.6530       237.8100 37.60034 13.13354 37.14402 12.68913 0.4563217 
18.26209 
1 1 1 20  22  6  o 25.90850 7.700590  55.61922       130.3181 -11.99068      
256.6239 79.11288       151.2750 27.23623 11.89152 24.58078 9.787136 2.655453 
15.40118 
1 1 1 20  22  7  o 37.63483 9.106962  309.6883       169.0671 296.6051       
283.9371 316.8749       210.4393 37.86530 13.77537 37.40438 11.91579 0.4609184 
18.21392 
1 1 1 20  22  8  o 36.08907 8.943775  252.6003       159.3681 369.8219       
281.2820 197.1807       193.4060 40.60736 13.80028 31.57077 11.38055 9.036591 
17.88755 
1 1 1 20  22  9  o 125.6169 6.787773  3467.767       356.8080 3362.900       
482.6836 3594.111       529.8078 123.7160 9.293036 127.5178 9.896206 -3.801735 
13.57555 
1 1 1 20  22  10 o 75.40955 7.275121  1258.438       224.7621 1247.326       
287.9836 1275.754       359.5070 75.42815 9.094011 75.39095 11.35819 
0.3719330E-01  14.55024 
1 1 1 20  22  11 o 45.84222 9.116057  494.7586       187.1961 622.6660       
263.6990 364.8207       265.7839 51.44728 12.34729 40.23716 13.41471 11.21012 
18.23211 
1 1 1 20  22  12 o 44.08234 9.699438  421.1123       192.0788 328.8558       
236.9246 598.0306       328.0938 38.32942 12.66549 49.83526 14.69359 -11.50584 
19.39888 
1 1 1 20  22  13 o 34.35687 9.375214  201.2851       190.6615 158.6743       
255.4211 254.9050       286.5235 32.22922 12.75356 36.48452 13.74501 -4.255306 
18.75043 
1 1 1 20  22  14 o 86.34062 6.068776  1629.682       219.6587 1744.048       
312.9994 1518.695       308.3417 89.42235 8.337166 83.25889 8.821100 6.163460 
12.13755 
1 1 1 20  22  15 o 68.51814 7.268733  1021.250       198.3911 1427.182       
310.1826 740.2324       258.0822 80.51682 9.175969 56.51945 11.27561 23.99737 
14.53747 
1 1 1 20  22  16 o 55.73702 8.191966  691.6954       182.3079 923.7749       
296.8782 551.1969       230.9914 63.01563 11.66025 48.45840 11.50964 14.55723 
16.38393 
1 1 1 20  22  17 o 75.40408 6.385178  1256.326       201.1879 1112.728       
282.3257 1404.483       286.7715 70.82600 9.494648 79.98216 8.540120 -9.156166 
12.77036 
1 1 1 20  22  18 o 28.60802 11.66237  99.35825       221.2859 0.000000       
0.000000 99.35825       221.2859 ?        ?        28.60802 11.66237 ? ? 
1 1 1 20  22  19 o 57.02842 8.258657  757.2589       169.8427 767.5006       
340.3811 753.8636       195.9841 55.43974 14.47067 58.61710 7.963749 -3.177364 
16.51731 
1 1 1 20  22  20 f 35.10590 7.625634  281.4688       118.9154 295.2603       
204.5045 274.4235       146.1667 35.81775 11.76707 34.39404 9.702435 1.423702 
15.25127 
1 1 1 20  22  21 o 25.23107 7.146255  92.48766       105.9438 64.29490       
206.8671 102.5111       123.3475 26.48787 11.08585 23.97426 9.021074 2.513605 
14.29251 
1 1 1 20  22  22 o 33.73352 7.460813  251.0064       108.1068 306.4503       
206.8871 230.1813       126.7944 35.98363 11.83542 31.48340 9.087229 4.500229 
14.92163 
1 1 1 20  22  23 o 54.36612 6.133838  609.8594       131.0591 848.8903       
243.1107 511.9326       155.6065 60.80716 9.522924 47.92507 7.733677 12.88209 
12.26768 
1 1 1 20  22  24 o 61.14419 5.873510  847.7718       141.2936 843.6474       
245.0539 849.8257       172.9337 60.21768 9.693008 62.07070 6.636117 -1.853016 
11.74702 
1 1 1 20  22  25 o 25.11607 7.279329  91.49016       119.3901 -5.171992      
224.0819 129.8069       141.0825 24.61138 10.90419 25.62075 9.646408 -1.009365 
14.55866 
1 1 1 20  22  26 o 20.96924 6.782457  -127.0250      120.0102 88.48360       
227.2651 -210.3566      141.3205 27.06166 11.48617 14.87683 7.216284 12.18483 
13.56491 
1 1 1 20  22  27 o 26.60459 7.648840  107.6920       118.6835 198.7876       
237.2743 77.29514       137.0618 30.52261 12.22020 22.68656 9.202486 7.836050 
15.29768 
1 1 1 20  22  28 f 37.08418 7.511156  372.6112       116.8196 293.3701       
243.2685 396.3609       133.1802 33.53002 12.65598 40.63834 8.092960 -7.108326 
15.02231 
1 1 1 20  22  29 o 36.87778 7.607736  238.1023       116.7781 696.2289       
251.9179 112.7141       131.7937 50.04332 12.10493 23.71223 9.218528 26.33109 
15.21547 
1 1 1 20  22  30 o 23.00468 7.198114  34.11256       115.2970 97.60199       
247.0147 16.42733       130.3700 26.55834 11.63052 19.45102 8.484244 7.107325 
14.39623 
1 1 1 20  22  31 o 35.53472 7.910305  344.1432       119.9653 397.6498       
249.2449 328.0103       136.8611 35.63383 12.91202 35.43561 9.141745 0.1982231 
15.82061 
1 1 1 20  22  32 o 37.31745 7.536553  223.2825       116.5980 853.6052       
267.7453 75.77121       129.5249 53.33857 12.21358 21.29633 8.833291 32.04224 
15.07311 
1 1 1 20  22  33 o 39.13476 7.387485  469.7583       117.2460 402.6234       
263.9339 486.2636       130.8673 33.44199 13.03640 44.82753 6.953565 -11.38554 
14.77497 
1 1 1 20  22  34 o 24.19155 7.332699  137.0351       111.6297 194.4760       
266.8398 124.8500       122.9008 26.04318 11.69812 22.33993 8.844646 3.703247 
14.66540 
1 1 1 20  22  35 o 19.67386 6.656322  -41.86211      121.4908 104.0236       
265.9581 -80.33150      136.5729 23.51478 10.97459 15.83294 7.535578 7.681845 
13.31264 
1 1 1 20  23  0  o 74.67545 5.423505  1258.161       166.4325 1101.997       
251.5099 1379.816       221.9871 69.98441 8.560019 79.36648 6.662109 -9.382065 
10.84701 
1 1 1 20  23  1  o 83.62473 5.626145  1521.108       193.9660 1711.001       
311.0815 1400.322       248.0999 87.51381 8.466788 79.73565 7.411311 7.778160 
11.25229 
1 1 1 20  23  2  o 29.86424 7.747511  67.59389       128.1836 392.1730       
242.3036 -58.54530      151.0514 40.29902 12.78090 19.42947 8.760388 20.86955 
15.49502 
1 1 1 20  23  3  o 26.55405 7.862884  57.75006       148.5605 -29.03085      
234.8714 115.6233       191.8036 25.36486 11.21027 27.74324 11.02859 -2.378380 
15.72577 
1 1 1 20  23  4  o 64.75340 6.394845  921.0108       172.6914 1079.223       
259.4663 795.1920       231.3841 69.76015 8.859200 59.74665 9.224463 10.01350 
12.78969 
1 1 1 20  23  5  o 52.12608 8.733672  653.5851       190.8318 493.5491       
268.5538 816.8143       271.2197 45.18435 13.28456 59.06780 11.34146 -13.88345 
17.46734 
1 1 1 20  23  6  o 76.85127 5.645090  1124.570       167.3308 1763.439       
325.6323 895.3444       195.0535 89.48347 8.667736 64.21909 7.234535 25.26438 
11.29018 
1 1 1 20  23  7  o 54.01076 7.579217  721.2372       163.7731 434.4667       
253.2299 927.4270       214.7243 42.80539 12.97210 65.21613 7.842371 -22.41074 
15.15843 
1 1 1 20  23  8  o 54.97033 7.761962  696.6500       171.7108 737.0297       
260.5901 665.6635       228.2771 56.18966 11.44347 53.75100 10.48996 2.438667 
15.52392 
1 1 1 20  23  9  o 28.84814 8.546813  41.56221       174.1138 -47.05070      
226.9874 168.2310       271.3864 24.73427 10.96461 32.96201 13.11371 -8.227747 
17.09363 
1 1 1 20  23  10 o 49.26025 8.591882  573.3760       176.4460 558.0971       
240.6256 591.1467       259.5075 48.64241 11.87088 49.87808 12.42432 -1.235676 
17.18376 
1 1 1 20  23  11 o 54.81145 8.602957  643.3235       183.7097 507.9124       
221.2955 943.5394       329.5051 46.54018 11.40039 63.08273 12.88699 -16.54255 
17.20591 
1 1 1 20  23  12 o 92.66635 7.119111  1888.893       269.6957 1810.992       
341.7258 2017.552       439.1619 90.71209 8.972918 94.62061 11.05503 -3.908516 
14.23822 
1 1 1 20  23  13 o 101.8273 5.852544  2264.511       249.2439 2233.370       
337.1787 2302.027       370.0829 101.2220 7.934258 102.4326 8.605617 -1.210602 
11.70509 
1 1 1 20  23  14 o 75.30728 6.222815  1213.830       193.8669 1048.121       
249.6584 1465.521       307.6852 69.08562 8.607552 81.52895 8.989090 -12.44334 
12.44563 
1 1 1 20  23  15 o 78.78376 6.342820  1377.717       206.7121 1422.730       
273.2786 1317.519       316.0290 80.66415 8.069491 76.90337 9.788196 3.760773 
12.68564 
1 1 1 20  23  16 o 42.37730 8.813813  432.3437       169.6892 343.4682       
258.6810 499.4745       224.8196 38.85789 13.23424 45.89669 11.64423 -7.038799 
17.62763 
1 1 1 20  23  17 o 83.42882 6.684898  1515.906       169.4195 1603.265       
429.2005 1499.782       184.3930 83.12939 12.29778 83.72825 5.245578 
-0.5988617     13.36980 
1 1 1 20  23  18 o 59.82795 6.551218  633.9894       139.4316 1159.365       
318.8075 509.7279       155.0464 71.40708 10.63429 48.24881 7.654133 23.15827 
13.10244 
1 1 1 20  23  19 o 27.85928 7.718661  135.9503       122.8606 -91.83109      
292.3327 184.8149       135.3991 26.71851 12.10935 29.00004 9.574690 -2.281527 
15.43732 
1 1 1 20  23  20 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  23  21 o 31.73122 8.130040  155.0549       120.9560 376.6783       
260.5273 94.15743       136.5668 39.36728 13.28139 24.09515 9.380562 15.27213 
16.26008 
1 1 1 20  23  22 o 33.05917 7.436718  265.0889       116.9323 172.9456       
209.0897 307.0219       141.0518 30.09030 11.62916 36.02804 9.272632 -5.937737 
14.87344 
1 1 1 20  23  23 o 33.84697 8.022391  253.9362       124.1383 332.4978       
233.9864 223.1614       146.4478 36.80172 12.58671 30.89222 9.950367 5.909492 
16.04478 
1 1 1 20  23  24 o 26.86697 7.348695  135.8641       120.8143 -5.603994      
222.8851 194.7234       143.7671 24.61281 10.89371 29.12114 9.866124 -4.508326 
14.69739 
1 1 1 20  23  25 o 41.43087 7.212964  327.1039       112.7516 694.9501       
236.9299 219.4095       128.1986 52.59856 11.07703 30.26319 9.241572 22.33537 
14.42593 
1 1 1 20  23  26 o 22.91358 7.015521  40.35477       113.4659 -12.76121      
226.9781 58.05048       131.0103 24.18620 10.82831 21.64095 8.922886 2.545242 
14.03104 
1 1 1 20  23  27 o 38.09322 6.758504  424.3648       117.3403 127.8648       
232.8909 525.2419       135.8427 27.95710 11.73462 48.22935 6.708819 -20.27226 
13.51701 
1 1 1 20  23  28 o 31.18982 7.840480  222.8203       114.4117 318.8787       
235.6465 193.1919       130.8722 34.26724 12.54125 28.11239 9.413272 6.154856 
15.68096 
1 1 1 20  23  29 o 24.05999 6.840044  99.06092       115.6092 -185.1141      
240.1168 184.8160       131.9044 20.71341 9.896546 27.40656 9.444744 -6.693148 
13.68009 
1 1 1 20  23  30 o 19.27131 6.258886  -83.67715      99.20707 90.64938       
196.9325 -142.9622      114.8439 24.72396 10.59892 13.81866 6.660140 10.90529 
12.51777 
1 1 1 20  23  31 o 50.41240 7.504431  721.6962       132.4933 634.0867       
276.8538 747.7217       150.8949 43.94526 13.61388 56.87955 6.318869 -12.93429 
15.00886 
1 1 1 20  23  32 f 48.16391 7.241612  617.1054       117.0276 677.2999       
264.5658 602.4625       130.4877 45.37726 13.13590 50.95055 6.100166 -5.573292 
14.48322 
1 1 1 20  23  33 o 34.80088 7.994856  300.5849       105.6964 579.3506       
267.5625 249.0390       115.0542 39.35031 13.45952 30.25145 8.632049 9.098858 
15.98971 
1 1 1 20  23  34 o 31.24063 6.858952  340.8576       110.4140 133.7536       
262.8104 385.2484       121.6730 24.48560 11.22130 37.99567 7.890707 -13.51007 
13.71790 
1 1 1 20  24  0  o 35.29592 7.756744  314.4563       131.5900 195.5889       
221.6322 379.1727       163.5343 30.99893 11.97442 39.59290 9.863147 -8.593973 
15.51349 
1 1 1 20  24  1  o 56.53852 6.260898  686.5493       140.7005 858.0638       
251.4506 608.3696       169.7655 60.88111 9.837646 52.19594 7.747003 8.685165 
12.52180 
1 1 1 20  24  2  o 76.78716 5.523219  1230.939       168.9278 1576.945       
301.7350 1072.976       203.8737 83.71039 8.585534 69.86392 6.950712 13.84647 
11.04644 
1 1 1 20  24  3  o 41.27100 7.517333  435.7982       151.6320 118.0260       
249.3490 622.2658       191.0079 29.84579 12.30860 52.69621 8.633624 -22.85041 
15.03467 
1 1 1 20  24  4  o 45.88762 8.468828  512.6293       164.4479 517.1521       
244.8004 508.9099       221.9970 45.89437 12.40785 45.88087 11.52951 
0.1349640E-01  16.93766 
1 1 1 20  24  5  f 48.11897 8.224521  553.2960       166.7668 712.9236       
242.6360 410.3702       229.5920 54.99540 10.89619 41.24253 12.32250 13.75287 
16.44904 
1 1 1 20  24  6  o 37.14487 7.281458  273.6949       128.4806 553.4554       
205.6265 94.52596       164.5573 48.60689 10.38092 25.68286 10.21347 22.92403 
14.56292 
1 1 1 20  24  7  o 32.53509 8.261446  218.3560       149.3470 95.15192       
234.8530 302.0056       193.5154 28.94487 11.94268 36.12531 11.41833 -7.180433 
16.52289 
1 1 1 20  24  8  o 19.62079 6.566217  -214.0265      144.1016 -275.9117      
207.3303 -156.1945      200.4258 18.74504 9.013433 20.49653 9.550857 -1.751484 
13.13243 
1 1 1 20  24  9  o 26.49841 7.909504  -12.14625      167.3041 175.1012       
217.3283 -284.5431      262.1256 31.12602 11.89932 21.87081 10.42340 9.255205 
15.81901 
1 1 1 20  24  10 o 73.05954 7.095212  1159.435       212.0768 1038.360       
266.4184 1368.862       350.3903 68.35609 9.283422 77.76299 10.73248 -9.406898 
14.19042 
1 1 1 20  24  11 o 30.53920 8.864081  104.6058       179.6841 55.11015       
234.0229 175.6917       280.4570 27.77516 11.71552 33.30323 13.30542 -5.528070 
17.72816 
1 1 1 20  24  12 f 30.78037 8.544163  155.4292       160.3353 176.0147       
207.6401 125.0277       252.3355 30.87157 11.68076 30.68918 12.47280 0.1823959 
17.08833 
1 1 1 20  24  13 o 40.76760 8.203010  384.9821       157.7669 197.4183       
223.3310 571.8258       222.9019 32.20891 12.13484 49.32629 11.04097 -17.11739 
16.40602 
1 1 1 20  24  14 o 69.89523 6.167218  1079.301       180.9106 1108.658       
260.0364 1051.762       251.8524 70.80529 8.747613 68.98517 8.695836 1.820122 
12.33444 
1 1 1 20  24  15 o 47.28716 7.779106  534.1252       131.0273 478.1487       
287.6584 548.7795       147.1824 44.31553 13.90693 50.25880 6.975333 -5.943279 
15.55821 
1 1 1 20  24  16 o 30.23864 8.018135  173.8446       117.9992 128.5325       
277.3163 183.8622       130.3921 31.58321 12.99528 28.89407 9.395991 2.689138 
16.03627 
1 1 1 20  24  17 o 66.36916 7.810939  1117.388       151.5886 881.1772       
361.9932 1167.618       166.9300 58.98786 14.66210 73.75045 5.391266 -14.76259 
15.62188 
1 1 1 20  24  18 o 49.71975 7.707916  614.9061       126.8838 509.9034       
297.3528 638.2815       140.2980 45.13871 14.13417 54.30079 6.154126 -9.162075 
15.41583 
1 1 1 20  24  19 o 131.9865 7.146794  4022.677       310.4988 3898.674       
691.5153 4053.992       347.4985 127.1962 12.94937 136.7767 6.051483 -9.580513 
14.29359 
1 1 1 20  24  20 o 27.51186 7.524311  39.79688       116.4887 319.2359       
233.8186 -52.45947      134.3488 36.72631 12.58219 18.29741 8.255264 18.42890 
15.04862 
1 1 1 20  24  21 o 25.77468 6.844796  105.5121       117.5193 -228.1372      
230.2949 222.9874       136.6509 20.61077 9.798068 30.93859 9.560480 -10.32782 
13.68959 
1 1 1 20  24  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  24  23 o 33.14395 7.564249  253.4307       113.7995 306.2119       
201.8488 228.8367       137.7849 35.25811 11.69042 31.02979 9.602376 4.228327 
15.12850 
1 1 1 20  24  24 o 28.94972 7.703577  159.2616       115.3396 249.5442       
223.7123 126.5747       134.6093 32.73294 12.18198 25.16650 9.432913 7.566441 
15.40715 
1 1 1 20  24  25 o 24.78696 7.130296  94.01141       97.73859 110.4032       
222.8355 90.10675       108.7584 27.49307 11.50610 22.08085 8.424612 5.412220 
14.26059 
1 1 1 20  24  26 o 20.80667 6.483064  3.609210       103.0397 16.08446       
183.5368 -2.132457      124.5138 22.79635 10.00388 18.81700 8.248804 3.979347 
12.96613 
1 1 1 20  24  27 o 46.44192 7.158919  591.0854       125.3288 433.7740       
239.8848 650.1460       146.9845 39.23237 12.74437 53.65146 6.525457 -14.41909 
14.31784 
1 1 1 20  24  28 o 35.41957 7.354972  354.0537       114.8997 224.0504       
244.5312 390.8891       130.1638 30.63539 12.34725 40.20375 7.995486 -9.568369 
14.70994 
1 1 1 20  24  29 o 29.26402 7.449930  218.5639       108.4269 163.4774       
241.9808 232.4025       121.2838 28.28351 11.92068 30.24454 8.938861 -1.961029 
14.89986 
1 1 1 20  24  30 o 30.76567 6.811608  280.3921       107.4607 20.17998       
248.3757 340.3186       119.1941 24.44152 11.10538 37.08981 7.890663 -12.64829 
13.62322 
1 1 1 20  24  31 o 40.13999 7.496153  296.8239       111.8621 859.4470       
263.4184 173.0432       123.5560 54.22536 11.89531 26.05462 9.125292 28.17073 
14.99231 
1 1 1 20  24  32 o 23.17081 7.234794  -2.119476      106.1928 304.2275       
254.0407 -66.98358      116.8957 30.82207 12.51888 15.51955 7.255800 15.30253 
14.46959 
1 1 1 20  24  33 o 48.71352 7.447427  688.1003       121.8757 728.5846       
276.8243 678.3664       135.7390 43.95538 13.61238 53.47166 6.046471 -9.516285 
14.89485 
1 1 1 20  24  34 o 28.52541 7.900238  134.4817       108.9287 648.3712       
274.5301 38.45947       118.6700 38.70795 13.59791 18.34287 8.046852 20.36507 
15.80048 
1 1 1 20  25  0  o 22.48270 6.512029  35.54615       105.7180 145.6832       
147.0590 -82.24503      152.0832 26.50121 9.874046 18.46420 8.492895 8.037001 
13.02406 
1 1 1 20  25  1  o 23.80304 7.085593  52.52087       115.7589 78.30361       
195.8510 38.67765       143.5092 25.80602 10.79265 21.80005 9.183746 4.005976 
14.17119 
1 1 1 20  25  2  o 34.54419 7.647320  287.1306       121.8609 306.8260       
189.2863 273.1892       159.2535 35.41598 11.30295 33.67241 10.30385 1.743576 
15.29464 
1 1 1 20  25  3  o 76.88791 4.970459  1308.272       160.1463 1396.480       
226.5219 1220.127       226.4404 79.61876 6.776662 74.15705 7.273151 5.461708 
9.940919 
1 1 1 20  25  4  f 26.98404 7.683534  91.60216       136.4179 187.8983       
201.5080 10.12871       185.3514 30.51270 11.51814 23.45537 10.17248 7.057333 
15.36707 
1 1 1 20  25  5  o 39.03520 8.495056  381.9751       156.5686 451.0491       
196.3033 261.2108       259.5609 43.22391 10.82970 34.84649 13.09128 8.377415 
16.99011 
1 1 1 20  25  6  o 66.82702 5.924856  1020.854       154.9787 697.9097       
216.4504 1360.575       222.0011 54.71768 9.774523 78.93636 6.698834 -24.21867 
11.84971 
1 1 1 20  25  7  o 31.20838 7.884985  191.1973       140.2057 49.81692       
205.1195 315.1783       192.0834 25.91952 10.95223 36.49724 11.34639 -10.57772 
15.76997 
1 1 1 20  25  8  o 35.96356 8.489940  299.4155       153.3241 220.7791       
229.1793 363.1279       206.2887 32.95676 12.31706 38.97036 11.68787 -6.013596 
16.97988 
1 1 1 20  25  9  o 96.63466 5.976009  2092.964       239.4324 2267.698       
324.4431 1883.994       354.8077 101.6063 7.605699 91.66303 9.219766 9.943245 
11.95202 
1 1 1 20  25  10 o 39.82635 8.729852  378.7004       161.2555 344.3786       
227.0625 413.6258       229.0500 38.22520 12.39775 41.42751 12.29378 -3.202305 
17.45970 
1 1 1 20  25  11 o 91.99675 6.344224  1906.002       238.2184 1977.761       
307.4949 1798.287       376.7366 94.88889 7.718691 89.10461 10.07068 5.784279 
12.68845 
1 1 1 20  25  12 o 114.2824 6.492750  2932.963       307.5375 3005.571       
407.7736 2837.186       468.3361 116.5495 8.333542 112.0152 9.958680 4.534340 
12.98550 
1 1 1 20  25  13 o 41.22606 8.435965  307.5458       115.8107 597.3213       
316.1727 262.6427       124.4605 48.70360 14.44197 33.74852 8.723049 14.95508 
16.87193 
1 1 1 20  25  14 o 44.63426 8.052426  440.4834       122.6555 504.4342       
307.3450 428.3689       133.7696 45.00216 14.40683 44.26637 7.197882 0.7357903 
16.10485 
1 1 1 20  25  15 o 64.16451 7.010528  1009.600       140.9584 832.6755       
308.1202 1056.428       158.5190 58.21668 12.94561 70.11235 5.385276 -11.89567 
14.02106 
1 1 1 20  25  16 o 31.45909 7.572334  233.3604       116.4217 -12.02837      
286.1492 282.0379       127.4469 28.03464 12.38405 34.88353 8.717586 -6.848886 
15.14467 
1 1 1 20  25  17 o 53.86736 7.025433  622.8779       121.3317 758.4208       
288.2711 593.6967       133.7563 55.40895 12.66315 52.32578 6.088632 3.083168 
14.05087 
1 1 1 20  25  18 o 47.26363 6.731450  517.1082       114.1370 515.5903       
228.8708 517.6107       131.6798 45.80626 11.82400 48.72099 6.437603 -2.914730 
13.46290 
1 1 1 20  25  19 o 24.39251 7.309797  47.74234       124.9482 8.493080       
218.0665 66.92657       152.4563 25.12624 10.96614 23.65878 9.668316 1.467461 
14.61959 
1 1 1 20  25  20 o 39.59455 7.812713  383.1968       121.5922 358.0906       
260.2627 390.2067       137.5233 38.15688 13.25546 41.03223 8.273253 -2.875351 
15.62543 
1 1 1 20  25  21 o 27.28148 7.567650  132.8300       115.8442 117.8866       
229.7780 137.9226       134.1392 28.61222 11.81018 25.95074 9.465569 2.661482 
15.13530 
1 1 1 20  25  22 o 51.25321 7.220016  683.7019       132.8404 517.3863       
256.5070 744.6561       155.2868 44.38296 12.96221 58.12346 6.363618 -13.74050 
14.44003 
1 1 1 20  25  23 o 23.30821 6.847806  -27.85033      109.5121 214.7925       
199.5567 -132.4133      131.0001 30.91298 11.50534 15.70344 7.429459 15.20954 
13.69561 
1 1 1 20  25  24 o 21.39314 9.771544  -72.28634      197.4458 -72.28634      
197.4458 0.000000       0.000000 21.39314 9.771544 ?        ?        ? ? 
1 1 1 20  25  25 o 69.34227 5.030729  1146.367       132.4117 931.6591       
229.1931 1253.933       162.2240 62.95229 8.671837 75.73225 5.102174 -12.77995 
10.06146 
1 1 1 20  25  26 o 28.77606 7.648890  130.2031       111.4173 356.2533       
231.6984 62.20893       127.0739 36.12625 12.51106 21.42587 8.803157 14.70037 
15.29778 
1 1 1 20  25  27 o 32.90631 7.517982  290.7480       114.3500 210.3157       
240.3868 314.2714       130.0005 30.26193 12.22338 35.55069 8.756090 -5.288755 
15.03596 
1 1 1 20  25  28 o 24.13657 6.819779  109.1883       110.5573 -132.2120      
235.9598 177.0902       125.1440 21.37770 10.06510 26.89544 9.204961 -5.517736 
13.63956 
1 1 1 20  25  29 o 26.94789 7.600942  109.9389       107.0283 328.7349       
241.7447 56.59642       119.3641 33.53002 12.62664 20.36575 8.465527 13.16427 
15.20188 
1 1 1 20  25  30 o 29.17798 6.398213  253.0110       106.2746 -139.9782      
248.6195 340.8726       117.5558 21.28310 10.14520 37.07286 7.798934 -15.78976 
12.79643 
1 1 1 20  25  31 o 32.67445 7.315420  314.1952       107.3309 234.3375       
252.4555 331.8142       118.5814 29.19547 12.23429 36.15343 8.023937 -6.957966 
14.63084 
1 1 1 20  25  32 o 23.42711 7.227553  85.27392       104.2947 177.6694       
259.3439 67.44866       113.9118 26.90601 11.84900 19.94822 8.279565 6.957788 
14.45511 
1 1 1 20  25  33 o 29.02745 7.547814  256.5135       108.0963 292.1057       
262.0587 249.2159       118.6616 28.48503 12.21939 29.56988 8.863659 -1.084843 
15.09563 
1 1 1 20  25  34 o 18.91306 6.391216  -38.36374      111.0167 30.33446       
257.8479 -53.99652      123.0011 22.14763 10.45504 15.67849 7.354090 6.469147 
12.78243 
1 1 1 20  26  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  26  1  o 33.72585 6.978518  293.2523       107.3478 197.9475       
184.0041 342.4263       132.1715 29.65739 11.04594 37.79431 8.531470 -8.136921 
13.95704 
1 1 1 20  26  2  o 29.23092 7.002783  194.3348       112.1774 55.41970       
174.4708 292.2318       146.4646 23.90910 10.10173 34.55274 9.701076 -10.64364 
14.00557 
1 1 1 20  26  3  o 20.05428 6.399298  -63.66225      118.2378 -211.5207      
193.3028 24.72847       149.4578 18.49644 8.847405 21.61211 9.248106 -3.115675 
12.79860 
1 1 1 20  26  4  o 22.81918 7.161967  -28.51173      138.9289 -90.97929      
198.5711 31.38628       194.4442 21.31391 9.761991 24.32445 10.48230 -3.010542 
14.32393 
1 1 1 20  26  5  o 32.60645 8.088789  227.0397       138.7316 138.1419       
182.0216 350.2606       214.2986 27.64561 10.81598 37.56728 12.03032 -9.921667 
16.17758 
1 1 1 20  26  6  o 69.07930 5.272033  1057.233       149.3470 1078.760       
238.6236 1043.370       191.4881 69.24628 8.208014 68.91232 6.618597 0.3339615 
10.54407 
1 1 1 20  26  7  o 76.97990 5.595018  1316.213       180.1212 1167.552       
246.1611 1487.539       264.2606 72.20214 8.120643 81.75767 7.698836 -9.555527 
11.19004 
1 1 1 20  26  8  o 77.52756 5.555065  1304.367       178.4297 1075.719       
233.1205 1627.787       277.2550 69.44957 7.995248 85.60555 7.714336 -16.15598 
11.11013 
1 1 1 20  26  9  o 50.69978 8.468836  620.0380       178.1081 483.0237       
237.4474 796.3015       269.3181 44.09047 12.34329 57.30910 11.59862 -13.21864 
16.93767 
1 1 1 20  26  10 o 26.12124 7.385347  103.9228       104.6873 89.22566       
235.4524 107.5441       116.8753 28.37280 11.84774 23.86969 8.820683 4.503105 
14.77069 
1 1 1 20  26  11 o 44.41547 7.667095  506.2831       128.8065 362.1011       
277.5939 545.8440       145.4077 38.92722 13.67371 49.90373 6.940255 -10.97651 
15.33419 
1 1 1 20  26  12 o 57.26863 7.263546  764.1967       136.6846 764.7648       
301.1085 764.0493       153.4001 55.22523 13.15624 59.31204 6.160327 -4.086807 
14.52709 
1 1 1 20  26  13 o 41.92423 7.642053  374.8995       114.9007 517.0234       
257.4730 339.5570       128.3947 45.45484 12.89482 38.39363 8.205335 7.061207 
15.28411 
1 1 1 20  26  14 f 26.90039 7.819510  77.25944       121.1501 164.0943       
257.3791 52.54372       137.3134 31.50410 12.67984 22.29667 9.154272 9.207422 
15.63902 
1 1 1 20  26  15 o 32.24209 8.117788  219.8934       119.2949 214.3594       
275.0469 221.1757       132.3961 33.57129 13.25032 30.91290 9.382060 2.658392 
16.23558 
1 1 1 20  26  16 o 35.47926 7.567382  280.1905       113.2338 360.5541       
212.2889 248.2344       133.8672 38.42256 11.92489 32.53595 9.319769 5.886604 
15.13476 
1 1 1 20  26  17 o 25.07422 6.313478  107.0665       104.3962 -263.6996      
209.8790 228.9593       120.3395 18.83855 9.060897 31.30989 8.794326 -12.47134 
12.62696 
1 1 1 20  26  18 o 98.89210 4.753923  2116.594       177.9518 2236.147       
336.3347 2070.116       209.7091 99.83124 8.024652 97.95296 5.099420 1.878281 
9.507846 
1 1 1 20  26  19 o 21.90377 6.884606  -20.07717      115.9621 6.351115       
215.0282 -30.91547      137.7024 24.71720 10.83761 19.09034 8.493370 5.626860 
13.76921 
1 1 1 20  26  20 o 29.44105 7.748112  138.4723       116.5630 316.8619       
229.8945 76.74311       135.2350 35.91309 12.45985 22.96900 9.213310 12.94409 
15.49622 
1 1 1 20  26  21 o 33.99469 7.507675  297.9329       127.1267 122.4753       
227.1958 377.9065       153.3867 28.41229 11.73659 39.57709 9.365529 -11.16480 
15.01535 
1 1 1 20  26  22 o 32.32445 7.366870  269.4397       122.0391 76.37999       
232.5357 342.8290       143.3706 27.01888 11.54779 37.63001 9.150502 -10.61112 
14.73374 
1 1 1 20  26  23 o 35.06719 7.457456  290.6285       110.9105 367.6301       
204.5570 258.5659       131.9969 37.58807 11.71373 32.54631 9.232717 5.041756 
14.91491 
1 1 1 20  26  24 o 58.47055 5.407640  762.1871       121.0793 841.5950       
225.7683 730.1271       143.4541 59.56533 9.027979 57.37578 5.955326 2.189545 
10.81528 
1 1 1 20  26  25 o 53.11723 6.562508  636.2332       146.3471 0.000000       
0.000000 636.2332       146.3471 ?        ?        53.11723 6.562508 ? ? 
1 1 1 20  26  26 o 25.71866 10.93994  92.33271       206.9541 92.33271       
206.9541 0.000000       0.000000 25.71866 10.93994 ?        ?        ? ? 
1 1 1 20  26  27 o 26.41999 7.599199  138.7263       117.3381 113.1550       
257.8843 145.4024       131.7681 27.54020 11.97227 25.29978 9.362481 2.240421 
15.19840 
1 1 1 20  26  28 o 31.94942 6.686518  302.7035       104.6551 48.20883       
237.4090 364.0860       116.5950 24.99569 11.13550 38.90314 7.405321 -13.90744 
13.37304 
1 1 1 20  26  29 o 26.37848 7.460432  138.8164       102.9122 226.0778       
241.0393 119.3637       113.8064 29.64149 12.14230 23.11547 8.671606 6.526024 
14.92086 
1 1 1 20  26  30 o 29.27989 7.189016  221.2216       91.54600 218.0048       
243.6106 221.7505       98.78651 28.92483 12.06301 29.63495 7.823786 
-0.7101212     14.37803 
1 1 1 20  26  31 o 33.60366 7.953793  240.8165       105.2945 592.7111       
259.5828 171.5146       115.1972 41.56223 13.23357 25.64509 8.827455 15.91714 
15.90759 
1 1 1 20  26  32 o 21.09291 6.767756  40.02446       104.5142 61.32405       
251.2709 35.56855       114.9277 23.70645 10.90937 18.47938 8.012225 5.227064 
13.53551 
1 1 1 20  26  33 o 23.43374 7.019994  128.8426       107.0625 200.9822       
214.2557 104.8352       123.6000 25.61714 11.02095 21.25034 8.698270 4.366804 
14.03999 
1 1 1 20  27  0  o 20.28578 6.180203  24.75209       95.33520 37.51262       
127.7515 8.714544       143.2190 20.35882 8.624968 20.21275 8.853788 0.1460724 
12.36041 
1 1 1 20  27  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  27  2  o 52.62879 5.126925  616.2679       112.0137 533.2952       
145.9865 735.0435       174.6658 48.45767 7.175812 56.79992 7.324557 -8.342243 
10.25385 
1 1 1 20  27  3  o 20.44725 6.208328  19.70313       96.21008 44.68396       
130.1699 -10.37452      142.8332 21.06081 8.802809 19.83369 8.756934 1.227127 
12.41666 
1 1 1 20  27  4  o 32.45750 6.807859  266.5134       114.6454 391.8404       
144.6554 54.82976       187.9993 40.44451 8.765995 24.47049 10.41850 15.97402 
13.61572 
1 1 1 20  27  5  o 29.17953 8.180525  161.8626       149.9662 194.5723       
202.0760 121.7621       223.7437 30.16864 11.49136 28.19042 11.64614 1.978224 
16.36105 
1 1 1 20  27  6  o 25.49766 7.380995  -5.304625      130.9785 258.1021       
222.0679 -145.8211      162.1945 33.25963 12.17435 17.73569 8.348742 15.52394 
14.76199 
1 1 1 20  27  7  o 68.81911 5.910795  1011.916       121.4530 1175.585       
319.8352 984.3389       131.2871 70.02358 10.87935 67.61463 4.624900 2.408951 
11.82159 
1 1 1 20  27  8  o 39.24036 8.496813  396.4506       156.3218 296.9670       
251.1334 459.3794       199.7346 35.41949 12.94838 43.06123 11.00558 -7.641743 
16.99363 
1 1 1 20  27  9  o 54.42039 6.864137  538.3744       120.2280 1000.119       
305.2106 453.5647       130.8041 63.54598 11.88073 45.29480 6.878504 18.25118 
13.72827 
1 1 1 20  27  10 o 49.12356 7.604356  580.5884       123.3683 573.3844       
290.5656 582.1727       136.2597 46.69260 13.84461 51.55452 6.295380 -4.861912 
15.20871 
1 1 1 20  27  11 o 56.86419 6.118553  613.8214       125.0896 995.9171       
277.2929 516.1985       140.1614 65.36877 10.10391 48.35961 6.903459 17.00916 
12.23711 
1 1 1 20  27  12 o 36.50454 7.324260  357.3571       118.5685 140.9951       
252.3735 418.6402       134.3148 30.27028 12.41630 42.73880 7.772679 -12.46852 
14.64852 
1 1 1 20  27  13 o 25.11621 7.118870  83.74825       107.7312 147.4241       
190.8888 53.98795       130.5003 28.40813 11.08407 21.82430 8.936254 6.583836 
14.23774 
1 1 1 20  27  14 o 38.98736 7.444300  378.9251       116.4752 320.8113       
233.5522 398.1637       134.3787 36.41143 12.56570 41.56329 7.985830 -5.151859 
14.88860 
1 1 1 20  27  15 f 31.67198 7.314514  199.9177       103.8709 343.8683       
197.1844 144.6324       122.1999 37.36229 11.47209 25.98168 9.077423 11.38061 
14.62903 
1 1 1 20  27  16 o 61.30768 5.470848  737.9540       120.8472 1065.108       
262.4851 649.9565       136.1331 68.05224 9.187204 54.56312 5.942726 13.48912 
10.94170 
1 1 1 20  27  17 o 43.98932 6.898323  416.6774       111.8372 587.0908       
223.4151 359.6970       129.1884 48.67694 11.16401 39.30170 8.106314 9.375244 
13.79665 
1 1 1 20  27  18 o 56.82551 7.156388  912.2925       139.7400 490.0442       
260.5549 1082.786       165.5654 43.16034 13.17412 70.49067 5.594471 -27.33033 
14.31278 
1 1 1 20  27  19 o 31.19003 7.548200  232.7503       117.1024 164.3736       
215.6304 261.3515       139.4595 29.46669 11.69989 32.91337 9.540119 -3.446676 
15.09640 
1 1 1 20  27  20 o 49.51078 7.407603  635.6328       138.5513 507.5529       
256.1869 688.5813       164.7190 43.58255 13.01562 55.43902 7.077002 -11.85647 
14.81521 
1 1 1 20  27  21 f 31.85399 7.487866  257.8925       122.9753 99.38854       
229.7649 321.5268       145.5826 27.49052 11.60259 36.21746 9.468501 -8.726944 
14.97573 
1 1 1 20  27  22 o 22.61246 7.073936  10.11150       124.8545 -56.85245      
234.7820 36.51606       147.4293 23.54217 10.72350 21.68275 9.228692 1.859417 
14.14787 
1 1 1 20  27  23 o 47.92302 6.459216  540.9191       116.7794 589.4904       
214.5706 520.4769       139.2013 47.87635 10.91382 47.96970 6.911899 
-0.9334564E-01 12.91843 
1 1 1 20  27  24 o 34.63956 7.075816  327.0852       113.3892 187.0688       
202.5147 391.0242       136.8515 29.07435 11.40173 40.20476 8.382676 -11.13041 
14.15163 
1 1 1 20  27  25 o 27.58084 7.647443  165.7742       124.1118 128.8794       
230.9286 180.7598       147.1744 27.56833 11.63351 27.59335 9.929501 
-0.2501869E-01 15.29489 
1 1 1 20  27  26 o 38.07153 8.528244  323.1996       140.0186 667.8851       
281.5139 209.9019       161.3984 47.15311 13.51777 28.98996 10.40162 18.16315 
17.05649 
1 1 1 20  27  27 o 53.61855 7.688592  681.2576       173.0776 0.000000       
0.000000 681.2576       173.0776 ?        ?        53.61855 7.688592 ? ? 
1 1 1 20  27  28 o 24.37148 7.743601  30.53399       168.5966 -128.6269      
286.6628 114.7026       208.4626 23.07052 10.95043 25.67243 10.95178 -2.601904 
15.48720 
1 1 1 20  27  29 o 27.78769 7.986595  170.8840       137.4379 286.5736       
242.9437 116.4323       166.6725 31.27756 12.41883 24.29783 10.04567 6.979731 
15.97319 
1 1 1 20  27  30 o 23.93809 7.302063  42.98215       97.08096 298.8273       
254.0267 -0.7756585     105.0554 31.01232 12.54933 16.86386 7.469593 14.14845 
14.60413 
1 1 1 20  27  31 o 29.34301 7.327128  229.7386       92.76760 281.1324       
253.5268 221.7938       99.68034 29.57209 12.31779 29.11394 7.938469 0.4581509 
14.65426 
1 1 1 20  27  32 o 18.37254 6.200579  -53.54197      113.2003 -127.2902      
251.7722 -34.85615      126.7325 20.11670 9.729801 16.62838 7.688932 3.488319 
12.40116 
1 1 1 20  27  33 o 20.92188 6.625765  68.09995       118.2990 -109.3762      
256.9559 115.8347       133.2619 20.07441 9.735326 21.76934 8.990355 -1.694931 
13.25153 
1 1 1 20  28  0  o 43.85349 4.848086  376.3655       80.02776 660.8696       
157.2575 276.9361       92.96604 53.41809 7.012033 34.28888 6.696802 19.12921 
9.696173 
1 1 1 20  28  1  o 16.30702 5.355653  -91.53140      83.61156 -5.469248      
141.2065 -137.9967      103.7560 19.51911 8.651007 13.09493 6.316025 6.424181 
10.71131 
1 1 1 20  28  2  o 35.22743 9.473464  314.2558       143.1756 314.2558       
143.1756 0.000000       0.000000 35.22743 9.473464 ?        ?        ? ? 
1 1 1 20  28  3  o 57.10808 4.290931  742.3090       97.70404 675.4654       
161.0736 781.2204       122.8947 54.43738 7.047715 59.77877 4.896741 -5.341389 
8.581862 
1 1 1 20  28  4  o 33.10514 5.774724  291.9684       90.38852 86.86747       
152.5771 402.8704       112.1954 23.75253 9.683651 42.45775 6.294178 -18.70523 
11.54945 
1 1 1 20  28  5  o 21.40716 6.292183  46.89009       87.53048 87.23967       
156.3006 28.45399       105.6515 24.02259 9.798641 18.79174 7.896387 5.230848 
12.58437 
1 1 1 20  28  6  o 29.47086 7.426218  181.4294       92.27475 225.4718       
240.2887 173.8111       99.93731 31.77529 12.42806 27.16642 8.132530 4.608868 
14.85244 
1 1 1 20  28  7  o 29.98006 7.293138  208.4563       97.77882 166.0453       
233.1462 217.5079       107.7088 29.72635 12.02516 30.23377 8.255596 
-0.5074253     14.58628 
1 1 1 20  28  8  o 25.73261 7.235857  99.91601       97.07879 175.3747       
219.1430 81.49225       108.2834 29.78979 11.80531 21.67544 8.370498 8.114346 
14.47171 
1 1 1 20  28  9  o 32.30494 7.312468  256.6512       106.2738 195.2837       
218.9931 275.5551       121.5451 30.59861 11.88569 34.01127 8.521682 -3.412657 
14.62494 
1 1 1 20  28  10 o 30.23578 7.427145  199.4098       107.1752 249.6454       
200.9463 179.4384       126.7007 32.54022 11.61312 27.93134 9.262034 4.608887 
14.85429 
1 1 1 20  28  11 o 56.60533 5.637696  703.1988       124.0062 791.1075       
226.8241 665.7228       148.0982 58.30917 9.265597 54.90150 6.425199 3.407673 
11.27539 
1 1 1 20  28  12 o 29.83283 7.118594  214.1740       111.1447 60.83313       
209.0290 274.6158       131.2339 25.81030 10.98726 33.85535 9.054155 -8.045052 
14.23719 
1 1 1 20  28  13 o 68.02077 4.781705  1030.918       127.2012 1013.039       
222.8769 1039.556       154.9078 66.88795 7.936667 69.15359 5.335554 -2.265633 
9.563411 
1 1 1 20  28  14 o 37.88440 6.264681  398.4768       107.6971 104.1059       
191.3522 534.9563       130.2926 26.49990 10.83089 49.26889 6.298947 -22.76899 
12.52936 
1 1 1 20  28  15 o 46.14161 6.748856  485.5559       109.4504 548.6187       
231.7056 467.4431       124.1777 46.29066 11.86721 45.99255 6.430983 0.2981148 
13.49771 
1 1 1 20  28  16 o 34.63726 7.674122  274.5808       117.2276 375.4712       
209.8908 228.8408       141.3244 38.34094 11.84884 30.93357 9.755693 7.407372 
15.34824 
1 1 1 20  28  17 o 51.33027 6.486184  695.3721       118.2853 458.7731       
214.6458 798.5581       141.7511 42.22987 11.70752 60.43067 5.587148 -18.20081 
12.97237 
1 1 1 20  28  18 o 39.62196 7.565520  431.8114       131.3312 249.2178       
247.5801 503.3094       154.9245 32.95337 12.67118 46.29055 8.269794 -13.33718 
15.13104 
1 1 1 20  28  19 o 52.59682 6.408789  661.8354       125.3107 640.9910       
226.6650 671.0106       150.3817 50.31758 11.03108 54.87606 6.527294 -4.558479 
12.81758 
1 1 1 20  28  20 o 26.47942 6.995481  140.0869       117.3658 -97.71237      
219.3827 235.4359       138.9169 21.92831 10.13072 31.03053 9.649643 -9.102226 
13.99096 
1 1 1 20  28  21 o 53.74012 6.617219  674.6682       134.4821 761.2629       
244.8616 637.2658       160.9254 54.54927 11.07742 52.93097 7.241621 1.618298 
13.23444 
1 1 1 20  28  22 o 37.01681 7.242145  352.5877       113.6036 332.6703       
194.7421 362.8620       139.8684 35.53336 11.47725 38.50026 8.835577 -2.966896 
14.48429 
1 1 1 20  28  23 o 27.86113 7.891799  66.16049       121.8694 379.8151       
265.3509 -17.68639      137.1950 36.71587 13.32084 19.00639 8.466237 17.70948 
15.78360 
1 1 1 20  28  24 o 31.41668 7.177965  259.4933       138.6498 -160.5313      
265.5717 416.8763       162.5636 22.41294 10.59173 40.42043 9.690619 -18.00749 
14.35593 
1 1 1 20  28  25 o 53.13274 7.723214  640.8805       147.2887 1020.640       
306.8828 527.2195       167.8896 60.30176 12.53792 45.96372 9.021788 14.33804 
15.44643 
1 1 1 20  28  26 o 31.31046 7.849395  275.5967       140.7537 47.90527       
280.1078 352.5109       162.8004 26.33490 11.89870 36.28601 10.24075 -9.951113 
15.69879 
1 1 1 20  28  27 o 29.85122 8.470052  186.6801       142.7299 388.2277       
288.5704 121.4047       164.2245 35.01770 13.63524 24.68474 10.05223 10.33296 
16.94010 
1 1 1 20  28  28 o 30.96508 8.538986  250.2730       144.3488 358.8975       
287.9933 213.8280       166.8159 33.51973 13.44520 28.41043 10.53014 5.109303 
17.07797 
1 1 1 20  28  29 o 45.75067 14.20038  734.9634       301.0282 0.000000       
0.000000 734.9634       301.0282 ?        ?        45.75067 14.20038 ? ? 
1 1 1 20  28  30 o 21.08091 6.773170  -23.21821      119.4548 147.9583       
218.5786 -96.11595      142.6404 25.70981 11.09695 16.45200 7.769237 9.257811 
13.54634 
1 1 1 20  28  31 o 23.90363 7.474018  50.15138       136.0439 319.8845       
252.1207 -60.64632      161.5871 29.85995 12.35085 17.94731 8.420228 11.91264 
14.94804 
1 1 1 20  28  32 o 21.61457 6.901918  67.57259       110.0493 134.9603       
253.3630 51.90264       122.1762 24.22498 11.06670 19.00416 8.250700 5.220821 
13.80384 
1 1 1 20  29  0  o 31.05779 5.389397  218.0730       68.44959 334.5078       
116.5282 156.7318       84.57970 36.81695 7.779384 25.29864 7.460803 11.51831 
10.77879 
1 1 1 20  29  1  o 24.87912 5.970117  61.16237       73.94493 325.8076       
152.8953 -19.63681      84.48224 34.97370 9.941704 14.78455 6.612994 20.18916 
11.94023 
1 1 1 20  29  2  o 17.70618 7.636051  14.41813       103.3357 0.000000       
0.000000 14.41813       103.3357 ?        ?        17.70618 7.636051 ? ? 
1 1 1 20  29  3  o 25.70415 6.490618  114.9848       88.42983 271.9827       
155.0135 39.24467       107.6677 32.27414 10.22138 19.13416 8.002242 13.13997 
12.98124 
1 1 1 20  29  4  o 52.68274 4.599782  598.0321       97.70443 745.3732       
168.9281 523.9667       119.7698 56.96666 7.063211 48.39882 5.894320 8.567844 
9.199563 
1 1 1 20  29  5  o 32.61696 6.477774  272.5244       90.70016 227.9576       
161.0922 293.2097       109.7487 30.23001 10.43562 35.00392 7.677509 -4.773909 
12.95555 
1 1 1 20  29  6  o 44.54797 5.600061  481.4039       90.15955 432.5312       
169.0331 500.8367       106.5876 41.39329 9.854834 47.70265 5.322124 -6.309361 
11.20012 
1 1 1 20  29  7  o 19.48075 5.794294  -8.292446      92.48386 -198.8763      
149.5810 109.6505       117.6710 15.58321 7.530612 23.37829 8.808249 -7.795084 
11.58859 
1 1 1 20  29  8  o 35.17000 6.454413  340.5695       106.0196 113.5450       
197.4737 432.5070       125.6664 26.54276 10.95127 43.79725 6.834290 -17.25449 
12.90883 
1 1 1 20  29  9  o 30.33303 7.309576  125.4032       104.4654 443.8557       
219.2159 31.83724       118.8252 40.85844 11.99909 19.80763 8.351130 21.05081 
14.61915 
1 1 1 20  29  10 o 20.30744 6.444745  -14.18949      105.5737 -146.8885      
218.5922 26.18084       120.5680 20.90639 9.805815 19.70849 8.365699 1.197897 
12.88949 
1 1 1 20  29  11 o 40.63128 6.739614  452.6840       113.3843 246.1537       
208.1231 539.8547       135.2115 32.08089 11.78171 49.18167 6.548346 -17.10078 
13.47923 
1 1 1 20  29  12 o 50.94744 6.515101  646.0189       121.2532 553.0302       
221.7679 685.6710       144.8161 46.28064 11.45940 55.61424 6.202288 -9.333599 
13.03020 
1 1 1 20  29  13 o 43.64454 6.500948  477.5792       112.5050 381.7347       
187.9390 531.1070       140.4505 38.63083 11.03542 48.65825 6.875237 -10.02742 
13.00190 
1 1 1 20  29  14 o 47.18711 6.639033  532.0203       121.1948 542.6473       
212.7440 526.9146       147.4622 46.09845 11.10729 48.27578 7.275661 -2.177334 
13.27807 
1 1 1 20  29  15 o 25.99710 6.912250  140.3470       105.3952 21.29319       
192.0543 191.6517       126.0756 23.54580 10.28371 28.44839 9.239160 -4.902588 
13.82450 
1 1 1 20  29  16 o 25.16113 6.899572  122.7879       103.7466 17.39126       
197.7483 162.8154       121.8649 23.67947 10.38775 26.64278 9.083562 -2.963318 
13.79914 
1 1 1 20  29  17 o 33.76911 6.496067  316.7649       119.9669 -96.10710      
243.9137 448.5128       137.7845 23.13264 10.68520 44.40559 7.390670 -21.27295 
12.99213 
1 1 1 20  29  18 o 45.70515 7.638884  481.4076       134.0789 695.5355       
252.8004 397.5990       158.1560 51.34270 11.94251 40.06761 9.528209 11.27509 
15.27777 
1 1 1 20  29  19 o 18.91310 6.116250  -107.4434      119.2550 -416.0462      
212.2063 35.00763       144.1753 16.47688 8.165997 21.34933 9.107719 -4.872456 
12.23250 
1 1 1 20  29  20 o 70.87215 5.338794  1098.778       142.5871 1294.938       
276.9308 1028.016       166.3289 73.69310 8.950877 68.05120 5.821743 5.641899 
10.67759 
1 1 1 20  29  21 o 33.93287 6.023364  325.0361       118.5983 -172.0213      
228.7357 507.7961       138.6984 20.69035 9.802207 47.17539 7.002884 -26.48504 
12.04673 
1 1 1 20  29  22 o 20.39524 6.488033  -25.35595      116.7940 -530.0135      
292.9184 70.04198       127.3555 19.11965 9.496225 21.67084 8.843075 -2.551182 
12.97607 
1 1 1 20  29  23 o 33.94762 8.473463  250.5164       137.8538 514.1970       
270.4306 157.9432       160.2358 41.30036 13.53146 26.59488 10.20283 14.70548 
16.94693 
1 1 1 20  29  24 o 17.04434 5.947215  -285.6154      136.9084 -445.0310      
264.3817 -227.2019      160.0378 18.48131 9.148541 15.60737 7.601425 2.873941 
11.89443 
1 1 1 20  29  25 o 25.61570 7.841599  73.81953       137.1924 208.1287       
270.1339 27.13613       159.2603 29.91438 12.60093 21.31702 9.336987 8.597363 
15.68320 
1 1 1 20  29  26 o 20.65853 6.936675  -103.2907      139.0561 -67.35084      
278.9879 -115.1708      160.4006 23.77779 11.13916 17.53927 8.269756 6.238518 
13.87335 
1 1 1 20  29  27 o 42.67338 7.426163  605.5408       150.0920 219.4905       
293.0497 742.8214       174.7527 29.68871 12.83211 55.65805 7.478540 -25.96935 
14.85233 
1 1 1 20  29  28 o 21.22895 6.836645  0.5958024      130.8793 -203.7709      
267.6270 64.83456       150.0456 20.79388 10.05286 21.66401 9.268164 
-0.8701305     13.67329 
1 1 1 20  29  29 o 22.44121 7.044693  56.32713       132.6381 -55.65264      
240.1907 105.4571       159.0961 21.74792 10.21474 23.13449 9.704118 -1.386572 
14.08939 
1 1 1 20  29  30 o 22.54062 7.166922  65.98856       132.5840 85.85136       
243.6404 57.63190       158.0320 24.03876 10.94279 21.04247 9.258204 2.996296 
14.33384 
1 1 1 20  29  31 o 25.12466 11.70160  147.3162       300.3802 0.000000       
0.000000 147.3162       300.3802 ?        ?        25.12466 11.70160 ? ? 
1 1 1 20  29  32 o 21.53589 7.043718  32.35742       134.3388 185.7719       
249.4949 -30.28069      159.4219 25.00701 11.26789 18.06477 8.455207 6.942238 
14.08744 
1 1 1 20  30  0  o 14.64672 4.702694  -29.93825      63.29150 -98.62887      
107.6996 6.298819       78.22431 14.09772 6.701197 15.19571 6.599642 -1.097994 
9.405388 
1 1 1 20  30  1  o 27.50158 6.465049  186.5936       78.48480 209.4132       
165.5550 179.9783       89.13798 28.13726 10.47800 26.86590 7.576212 1.271355 
12.93010 
1 1 1 20  30  2  o 25.67981 6.918993  16.74876       83.68351 418.4135       
220.0851 -51.13741      90.47933 37.23716 12.20709 14.12246 6.517421 23.11470 
13.83799 
1 1 1 20  30  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 20  30  4  o 43.78148 6.758034  554.4573       94.83467 381.9770       
237.5115 587.1710       103.4379 35.93592 12.64554 51.62704 4.772254 -15.69112 
13.51607 
1 1 1 20  30  5  o 21.29555 6.403143  59.73950       89.76582 -124.5960      
229.7840 92.93720       97.51452 21.24249 9.981311 21.34861 8.023366 
-0.1061134     12.80629 
1 1 1 20  30  6  o 34.57244 6.898278  308.9848       83.85792 247.4936       
252.2591 316.6243       88.91460 31.46795 12.59955 37.67693 5.621065 -6.208984 
13.79656 
1 1 1 20  30  7  o 32.66983 6.803298  294.8825       93.61842 148.4972       
233.5798 322.8982       102.1850 28.17208 11.78459 37.16759 6.801675 -8.995512 
13.60660 
1 1 1 20  30  8  o 27.90771 7.292061  180.2761       95.89978 87.67941       
266.0606 194.1025       102.8106 27.54730 12.06704 28.26813 8.190432 
-0.7208290     14.58412 
1 1 1 20  30  9  o 27.51871 7.608590  10.50110       121.2552 422.9569       
253.4683 -111.9020      138.0801 38.55509 13.10022 16.48233 7.742522 22.07276 
15.21718 
1 1 1 20  30  10 o 23.50171 6.980626  74.65513       111.5864 -10.06004      
216.1391 105.4400       130.2932 23.46058 10.53341 23.54284 9.163179 
-0.8225632E-01 13.96125 
1 1 1 20  30  11 o 20.22308 6.511560  -38.81361      109.6275 -21.34557      
206.4279 -45.67549      129.3802 22.77885 10.25742 17.66730 8.024150 5.111546 
13.02312 
1 1 1 20  30  12 o 45.18970 6.915395  469.1728       119.4015 640.8080       
220.2608 397.7458       142.0905 49.90691 10.81689 40.47248 8.618905 9.434429 
13.83079 
1 1 1 20  30  13 o 27.74649 7.555441  149.2201       115.0471 233.5322       
213.5526 114.7444       136.5578 31.20905 11.83490 24.28394 9.395422 6.925110 
15.11088 
1 1 1 20  30  14 o 35.38353 7.241338  328.3290       113.9874 264.8752       
194.0222 361.7738       140.8597 32.35086 11.42473 38.41619 8.900760 -6.065331 
14.48268 
1 1 1 20  30  15 o 25.55934 7.127053  124.8714       116.1197 -36.16611      
222.8445 184.8946       136.0499 23.21949 10.54187 27.89919 9.594187 -4.679693 
14.25411 
1 1 1 20  30  16 o 55.38396 6.394697  732.1973       129.5272 754.8391       
242.0860 723.1158       153.3188 54.04591 11.05071 56.72202 6.438205 -2.676105 
12.78939 
1 1 1 20  30  17 o 28.54433 7.548800  190.5922       117.7241 109.6446       
235.5675 217.5383       135.9131 27.39209 11.66235 29.69657 9.587859 -2.304478 
15.09760 
1 1 1 20  30  18 o 60.67791 5.440248  833.6091       128.1423 910.5517       
232.6072 800.0837       153.5421 61.57680 8.997610 59.77902 6.117862 1.797779 
10.88050 
1 1 1 20  30  19 o 21.55440 6.738465  13.47300       115.3294 -81.73754      
216.8671 51.01721       136.1829 21.75853 10.05998 21.35028 8.967965 0.4082527 
13.47693 
1 1 1 20  30  20 o 48.96497 6.794313  608.7777       121.0768 571.6809       
231.4274 622.7582       142.0713 45.49879 11.95805 52.43114 6.454134 -6.932350 
13.58863 
1 1 1 20  30  21 o 40.11554 6.988316  459.4295       114.3665 285.0089       
230.7610 516.2210       131.6756 32.64485 12.32502 47.58623 6.590906 -14.94138 
13.97663 
1 1 1 20  30  22 o 30.97064 7.853487  244.2906       118.4155 237.4955       
255.5927 246.1478       133.6212 30.95045 12.56175 30.99083 9.429288 
-0.4038239E-01 15.70697 
1 1 1 20  30  23 o 25.57038 7.421876  122.7423       132.9404 -84.15692      
260.1448 195.8703       154.6598 23.11189 10.81270 28.02886 10.16968 -4.916977 
14.84375 
1 1 1 20  30  24 o 27.44436 7.964495  161.3135       133.6010 179.3675       
270.0467 155.4624       153.7331 28.96375 12.41380 25.92498 9.981502 3.038769 
15.92899 
1 1 1 20  30  25 o 46.45215 7.729957  660.1288       155.6716 400.6274       
263.8033 798.7725       192.8236 35.52112 13.22679 57.38318 8.003808 -21.86206 
15.45991 
1 1 1 20  30  26 o 25.42874 7.131170  108.5938       138.7859 -251.8633      
245.8203 277.2509       168.1486 19.46027 9.463926 31.39721 10.66998 -11.93694 
14.26234 
1 1 1 20  30  27 o 20.73688 6.709637  -14.71593      129.7737 -151.9072      
235.6481 45.00336       155.4741 20.28426 9.718386 21.18950 9.253643 
-0.9052391     13.41927 
1 1 1 20  30  28 o 28.35072 7.865425  175.4219       131.3544 413.4713       
236.9363 69.79465       157.8287 34.86933 12.59368 21.83211 9.426496 13.03722 
15.73085 
1 1 1 20  30  29 o 23.82183 7.577086  60.28231       136.2163 256.9952       
275.6740 -3.260609      156.6798 28.39421 12.36147 19.24945 8.766012 9.144751 
15.15417 
1 1 1 20  30  30 o 17.95188 6.077196  -114.2149      133.7183 -402.2317      
256.5307 -6.762624      156.6889 17.12824 8.559205 18.77553 8.629556 -1.647289 
12.15439 
1 1 1 20  30  31 o 22.43795 7.155077  97.61105       134.9630 103.1107       
249.0690 95.32497       160.5818 23.32327 10.78252 21.55264 9.408393 1.770636 
14.31015 
1 1 1 20  31  0  o 19.93637 5.330925  87.15802       59.49735 101.5892       
98.27073 78.80688       74.75590 20.98296 8.007423 18.88979 7.039619 2.093170 
10.66185 
1 1 1 20  31  1  o 27.69769 5.577077  197.0671       66.18716 201.1375       
111.7531 194.8679       82.14405 27.45743 8.676947 27.93796 7.008976 
-0.4805317     11.15415 
1 1 1 20  31  2  o 20.58719 6.108283  39.96170       73.67815 156.3112       
162.7531 9.971362       82.63000 25.47281 10.14872 15.70157 6.800587 9.771242 
12.21657 
1 1 1 20  31  3  o 28.72757 6.342416  212.7976       77.22503 204.6015       
168.4094 214.9799       86.89996 27.86013 10.52597 29.59501 7.078769 -1.734877 
12.68483 
1 1 1 20  31  4  o 22.16796 6.593017  73.44243       103.0725 92.06747       
159.3680 60.04943       135.1423 23.25199 9.730810 21.08394 8.898473 2.168043 
13.18603 
1 1 1 20  31  5  o 47.54449 5.758598  509.1854       88.12552 634.0844       
205.4368 481.0197       97.55733 48.57782 10.37717 46.51115 4.996017 2.066666 
11.51720 
1 1 1 20  31  6  o 22.66007 6.615236  33.62725       81.38620 228.5880       
194.1069 -7.957502      89.64674 29.62682 11.26905 15.69332 6.932092 13.93350 
13.23047 
1 1 1 20  31  7  o 36.78608 6.393732  370.2049       81.27300 274.6038       
207.8685 387.4564       88.30202 31.74790 11.75715 41.82425 5.028791 -10.07635 
12.78746 
1 1 1 20  31  8  o 35.59129 7.190103  325.8798       99.20731 341.0928       
225.2629 322.2191       110.5007 34.58009 12.30026 36.60249 7.449417 -2.022400 
14.38021 
1 1 1 20  31  9  o 61.36998 5.289384  819.7719       113.5098 1000.632       
247.0516 771.3755       127.7977 63.70529 9.237049 59.03467 5.156284 4.670616 
10.57877 
1 1 1 20  31  10 o 24.40969 7.043308  -26.67222      96.34916 339.0678       
229.3329 -105.0650      106.1740 34.74252 12.40558 14.07687 6.673405 20.66564 
14.08662 
1 1 1 20  31  11 o 33.39877 7.464164  270.5422       109.3012 373.2787       
201.1504 227.4990       130.2000 36.76569 11.64351 30.03185 9.342569 6.733837 
14.92833 
1 1 1 20  31  12 o 25.86871 7.209758  138.5471       109.3265 106.3090       
209.1701 150.6641       128.2368 26.12412 11.05030 25.61329 9.263542 0.5108356 
14.41952 
1 1 1 20  31  13 f 23.51945 7.050881  27.51590       107.2753 199.4876       
213.3628 -30.66465      124.1021 29.40819 11.65031 17.63070 7.945434 11.77748 
14.10176 
1 1 1 20  31  14 o 26.75059 7.167560  134.1852       105.2987 257.1900       
188.7011 78.56362       126.8921 31.51680 11.25314 21.98438 8.880454 9.532412 
14.33512 
1 1 1 20  31  15 o 21.62315 6.855432  0.5747269      111.8455 22.65190       
228.9775 -6.343199      128.1767 24.53243 10.93235 18.71388 8.274747 5.818548 
13.71086 
1 1 1 20  31  16 f 28.45813 7.704390  170.1937       114.0963 256.3203       
232.5637 142.8928       130.9369 31.66515 12.25904 25.25111 9.335221 6.414036 
15.40878 
1 1 1 20  31  17 f 38.96180 7.519185  371.4910       108.3745 465.0284       
243.3077 348.3400       121.0455 39.95712 12.82107 37.96648 7.859562 1.990643 
15.03837 
1 1 1 20  31  18 o 21.94833 6.723587  45.03149       103.6918 15.96282       
208.0515 54.63843       119.6053 23.40364 10.42532 20.49302 8.493475 2.910629 
13.44717 
1 1 1 20  31  19 o 33.47935 7.852050  281.2531       118.7430 372.4467       
225.7326 246.3648       139.6215 36.03496 12.36150 30.92375 9.685667 5.111204 
15.70410 
1 1 1 20  31  20 o 25.37551 7.064414  132.8074       117.5815 -42.87620      
220.5939 202.5307       138.9687 22.40400 10.27289 28.34702 9.700080 -5.943022 
14.12883 
1 1 1 20  31  21 o 38.29502 7.579895  332.1792       120.2991 628.5538       
228.8758 219.0471       141.4075 47.42866 11.57914 29.16138 9.784825 18.26728 
15.15979 
1 1 1 20  31  22 o 20.96957 6.894301  -73.18417      128.6711 40.25581       
246.2390 -115.7942      150.9141 24.95380 11.22175 16.98534 8.012359 7.968462 
13.78860 
1 1 1 20  31  23 o 30.07954 8.211734  245.2020       147.0431 203.6400       
244.1959 268.8442       184.1765 29.02005 12.08849 31.13902 11.11750 -2.118963 
16.42347 
1 1 1 20  31  24 o 25.14220 7.520833  110.9362       130.8365 169.6847       
223.7651 80.41756       161.2784 27.42169 11.50581 22.86271 9.688559 4.558979 
15.04167 
1 1 1 20  31  25 o 27.03094 7.727646  180.0480       133.9798 149.9627       
228.7860 195.7506       165.2865 26.67101 11.42847 27.39088 10.40462 
-0.7198792     15.45529 
1 1 1 20  31  26 o 19.65669 6.551098  -149.6616      133.0943 83.25471       
224.2779 -276.2757      165.3588 24.45863 10.86353 14.85476 7.324695 9.603868 
13.10220 
1 1 1 20  31  27 o 16.34943 5.668919  -217.4548      125.9012 -351.1861      
226.3627 -157.5551      151.4959 16.96414 8.413933 15.73472 7.599492 1.229423 
11.33784 
1 1 1 20  31  28 o 21.42077 6.914513  29.61253       129.6652 52.21159       
234.0392 19.60341       155.7548 23.06544 10.57833 19.77611 8.907348 3.289331 
13.82903 
1 1 1 20  31  29 o 21.79187 7.067189  37.91747       136.2514 149.9151       
240.5702 -14.97486      165.3231 24.65988 11.09057 18.92385 8.762412 5.736025 
14.13438 
1 1 1 20  31  30 o 23.29496 7.354385  115.0758       136.8380 209.8228       
247.1061 73.17120       164.3355 25.62084 11.38882 20.96908 9.308202 4.651760 
14.70877 
1 1 1 20  32  0  o 22.52523 5.324567  135.4313       58.78401 123.1466       
96.70642 142.6305       74.03118 21.71040 8.023417 23.34007 7.002059 -1.629673 
10.64913 
1 1 1 20  32  1  o 19.77039 5.405714  89.52350       64.97407 47.60688       
109.2986 112.4318       80.80122 18.44058 7.900370 21.10020 7.380457 -2.659616 
10.81143 
1 1 1 20  32  2  o 18.00636 5.614989  27.30778       74.38767 5.564456       
151.7072 34.19030       85.35269 19.23549 8.720358 16.77722 7.075857 2.458271 
11.22998 
1 1 1 20  32  3  o 26.99222 6.489675  183.4134       77.32114 225.9174       
169.4817 172.2414       86.89072 28.03767 10.56931 25.94677 7.533465 2.090899 
12.97935 
1 1 1 20  32  4  o 29.67727 8.511068  232.1772       111.5775 0.000000       
0.000000 232.1772       111.5775 ?        ?        29.67727 8.511068 ? ? 
1 1 1 20  32  5  o 34.85748 6.293018  291.6219       81.88970 388.0539       
169.5210 262.2700       93.52576 36.97871 10.45442 32.73625 7.008101 4.242458 
12.58604 
1 1 1 20  32  6  o 18.77184 5.623711  39.43819       76.32566 -109.2232      
164.4305 80.26657       86.17164 17.74419 8.368315 19.79949 7.515040 -2.055302 
11.24742 
1 1 1 20  32  7  o 18.27846 5.154638  42.10769       68.78308 -245.5117      
159.1413 108.1805       76.27554 15.07137 7.391703 21.48554 7.186369 -6.414171 
10.30928 
1 1 1 20  32  8  o 15.98763 5.180112  -40.24217      76.96515 -238.1337      
164.4307 15.27773       87.09508 15.53970 7.594110 16.43555 7.047250 
-0.8958502     10.36022 
1 1 1 20  32  9  o 28.57118 6.392537  216.3368       86.55325 154.1583       
156.7409 243.6150       103.8173 25.86044 10.05332 31.28192 7.898663 -5.421476 
12.78507 
1 1 1 20  32  10 o 43.96872 5.484864  428.2958       94.43524 595.0379       
170.2443 354.1866       113.4974 49.58367 8.178150 38.35376 7.311142 11.22991 
10.96973 
1 1 1 20  32  11 f 28.23083 6.630339  201.9731       87.51930 184.3037       
168.5215 208.4987       102.4133 27.53517 10.49234 28.92649 8.109035 -1.391319 
13.26068 
1 1 1 20  32  12 o 27.25244 6.274243  196.0431       91.79281 26.52136       
173.9055 261.5134       108.0743 21.99499 9.693172 32.50988 7.969122 -10.51489 
12.54849 
1 1 1 20  32  13 o 42.39949 6.211435  383.2803       104.9687 702.3024       
191.7308 246.7298       125.4377 53.75582 8.495472 31.04316 9.063922 22.71266 
12.42287 
1 1 1 20  32  14 o 41.37537 7.088158  435.6550       107.6721 465.6596       
231.4282 427.3660       121.6387 39.70381 12.47668 43.04693 6.730552 -3.343117 
14.17632 
1 1 1 20  32  15 o 22.61141 6.558424  70.25916       110.0688 -216.1644      
225.4638 159.8813       126.1189 19.40605 9.347864 25.81678 9.201582 -6.410725 
13.11685 
1 1 1 20  32  16 f 22.08976 6.913648  26.28946       103.0567 89.10620       
231.2846 10.72783       115.1162 25.87573 11.29342 18.30379 7.978261 7.571943 
13.82730 
1 1 1 20  32  17 o 24.66489 7.308769  102.4040       112.2256 115.4526       
235.8920 98.58659       127.5899 26.66291 11.51844 22.66687 8.999887 3.996040 
14.61754 
1 1 1 20  32  18 o 29.69686 7.857114  171.8043       112.4846 396.5263       
246.2235 112.5346       126.4512 36.14199 12.85941 23.25173 9.031758 12.89025 
15.71423 
1 1 1 20  32  19 o 22.35414 6.935105  6.279343       109.3512 167.6021       
218.2833 -47.77077      126.3488 27.65558 11.46884 17.05270 7.800539 10.60289 
13.87021 
1 1 1 20  32  20 o 19.91722 6.314383  -25.47785      116.0542 -302.2952      
224.2968 75.72436       135.6193 17.99097 8.810037 21.84347 9.048148 -3.852505 
12.62877 
1 1 1 20  32  21 o 49.24462 7.321021  604.1431       129.5384 754.2594       
267.3737 558.0994       148.0778 49.98393 12.70887 48.50531 7.271461 1.478619 
14.64204 
1 1 1 20  32  22 o 28.03271 7.940061  186.0388       132.2315 258.8153       
243.2783 155.5225       157.5341 30.39459 12.28854 25.67083 10.05833 4.723759 
15.88012 
1 1 1 20  32  23 o 24.07607 7.132718  101.7463       127.8376 -45.34664      
218.9403 177.8361       157.4682 21.63407 10.04275 26.51807 10.13143 -4.884007 
14.26544 
1 1 1 20  32  24 o 27.73726 7.778509  201.9278       131.8770 226.4679       
217.7963 187.7221       165.7079 28.65501 11.60988 26.81951 10.35526 1.835499 
15.55702 
1 1 1 20  32  25 o 23.00644 7.261971  50.55320       137.5270 128.6493       
226.3548 4.855336       173.1502 25.46707 11.14322 20.54581 9.315237 4.921255 
14.52394 
1 1 1 20  32  26 o 18.97881 6.363546  -79.97751      127.7547 -82.68067      
226.9498 -78.72358      154.5711 20.55029 9.749084 17.40734 8.181334 3.142948 
12.72709 
1 1 1 20  32  27 o 23.64869 7.334116  117.4451       132.9364 124.1829       
240.2074 114.4704       159.6067 24.51713 11.05117 22.78026 9.645139 1.736864 
14.66823 
1 1 1 20  32  28 o 26.35425 7.550048  93.82890       133.6333 505.7284       
241.2127 -88.57713      160.5181 35.66472 12.72404 17.04378 8.130913 18.62094 
15.10010 
1 1 1 20  32  29 o 18.19422 6.236560  -97.40807      132.1201 -139.8648      
257.7013 -82.26917      153.8829 19.67996 9.595833 16.70848 7.968608 2.971485 
12.47312 
1 1 1 20  33  2  o 15.10188 4.948779  -27.10980      71.04946 -167.2449      
151.5157 12.39025       80.44202 15.05495 7.343791 15.14880 6.635540 
-0.9385300E-01 9.897558 
1 1 1 20  33  3  o 14.21960 4.803027  -72.03097      73.73812 -212.2359      
155.6999 -31.49217      83.72247 14.70076 7.241443 13.73843 6.311716 0.9623308 
9.606053 
1 1 1 20  33  4  o 31.41598 6.731087  234.5107       81.45811 421.8464       
183.1128 188.2918       90.95325 36.18320 11.04407 26.64876 7.697970 9.534433 
13.46217 
1 1 1 20  33  5  o 23.49455 6.880025  116.5648       118.3383 -12.20631      
193.2439 193.8298       149.6883 20.62596 9.521035 26.36315 9.934228 -5.737192 
13.76005 
1 1 1 20  33  6  o 23.25190 6.596125  119.4963       83.17293 90.66762       
212.4493 124.7147       90.38767 24.01176 10.63064 22.49204 7.811847 1.519726 
13.19225 
1 1 1 20  33  7  o 23.24956 6.052731  137.1221       78.19255 -67.43587      
208.4478 170.6198       84.35220 20.46884 9.596086 26.03028 7.379522 -5.561443 
12.10546 
1 1 1 20  33  8  f 31.44036 7.225189  264.2247       96.29643 297.3815       
222.9881 256.6237       106.7650 31.21890 12.02101 31.66183 8.019269 
-0.4429264     14.45038 
1 1 1 20  33  9  o 31.17411 7.376938  261.7505       102.0853 283.1928       
226.9531 256.3118       114.3012 30.91314 12.08085 31.43508 8.469357 
-0.5219440     14.75388 
1 1 1 20  33  10 o 22.42242 7.004180  2.583516       104.4832 211.4140       
233.0671 -49.94097      116.8867 28.67583 11.86887 16.16901 7.440707 12.50682 
14.00836 
1 1 1 20  33  11 o 44.65195 6.852030  562.6791       107.5983 456.4320       
229.6952 592.5477       121.7871 38.24804 12.47076 51.05585 5.681679 -12.80781 
13.70406 
1 1 1 20  33  12 o 53.61353 6.287245  656.6799       112.3322 864.8838       
251.6441 604.8672       125.5337 55.69436 11.15578 51.53271 5.802276 4.161640 
12.57449 
1 1 1 20  33  13 o 21.03357 6.495838  47.92107       98.76955 -130.8804      
238.1786 85.05434       108.5423 21.02031 9.979294 21.04683 8.318494 
-0.2652359E-01 12.99168 
1 1 1 20  33  14 o 51.90329 7.035198  773.9715       116.5668 591.1746       
258.2303 820.7520       130.6336 43.22984 13.09931 60.57673 5.136533 -17.34689 
14.07040 
1 1 1 20  33  15 f 21.09562 6.707394  22.79376       108.7124 -76.38168      
246.1960 46.81499       121.1648 22.29897 10.44955 19.89228 8.412105 2.406693 
13.41479 
1 1 1 20  33  16 o 55.62344 5.993250  788.1778       119.0760 710.2330       
219.3889 820.7289       141.7763 51.03381 10.59352 60.21307 5.608336 -9.179260 
11.98650 
1 1 1 20  33  17 o 19.68033 6.565075  -137.9651      115.4034 94.74462       
233.9277 -212.8177      132.6716 25.56241 11.25538 13.79825 6.761452 11.76416 
13.13015 
1 1 1 20  33  18 o 35.37925 7.490721  287.9448       117.7001 582.5944       
216.9992 165.1276       140.0989 44.89251 11.47004 25.86599 9.637518 19.02652 
14.98144 
1 1 1 20  33  19 o 26.18357 7.603880  100.8951       113.2356 324.0060       
245.4919 40.59674       127.6232 32.48049 12.59094 19.88666 8.529016 12.59383 
15.20776 
1 1 1 20  33  20 o 37.60905 7.620325  378.1014       113.5223 469.8448       
235.6030 350.3612       129.5532 38.33470 12.63011 36.88341 8.529810 1.451286 
15.24065 
1 1 1 20  33  21 o 45.03160 7.701735  487.4235       122.4878 790.1232       
272.5481 410.8119       137.1149 50.05183 12.89390 40.01138 8.426995 10.04045 
15.40347 
1 1 1 20  33  22 o 47.70587 7.243467  617.3067       135.0578 688.7400       
231.5431 580.4697       166.2738 48.06989 11.59101 47.34185 8.690209 0.7280350 
14.48693 
1 1 1 20  33  23 o 29.02655 7.887294  233.4451       130.6553 323.8322       
218.6383 183.2374       162.9516 31.76220 11.99540 26.29090 10.24441 5.471300 
15.77459 
1 1 1 20  33  24 o 21.03830 6.876804  -27.82416      138.8764 85.57634       
222.9208 -99.75210      177.5382 23.89991 10.71482 18.17669 8.622895 5.723227 
13.75361 
1 1 1 20  33  25 o 20.51690 6.896161  -58.29711      149.7379 -28.63377      
271.2307 -71.30128      179.5851 22.43541 10.65021 18.59838 8.763621 3.837029 
13.79232 
1 1 1 20  33  26 o 35.95405 8.010160  473.3501       149.2811 312.2823       
250.0033 562.6008       186.1003 29.01281 12.16701 42.89529 10.42183 -13.88248 
16.02032 
1 1 1 20  33  27 o 21.37639 7.020168  39.91064       130.8451 100.9963       
270.3270 21.22079       149.5281 23.69867 11.06194 19.05410 8.646645 4.644573 
14.04034 
1 1 1 20  33  28 o 19.28408 6.614844  -68.35059      132.0987 -6.214840      
291.6867 -84.38278      148.1638 22.20211 10.67945 16.36604 7.808579 5.836071 
13.22969 
1 1 1 20  34  4  o 19.31885 5.877467  64.82010       78.90000 54.16606       
159.3815 68.27855       90.80750 20.24085 9.067558 18.39685 7.480499 1.844002 
11.75493 
1 1 1 20  34  5  o 15.55917 7.370381  -76.69353      129.2852 0.000000       
0.000000 -76.69353      129.2852 ?        ?        15.55917 7.370381 ? ? 
1 1 1 20  34  6  o 38.99218 6.470571  443.4764       92.58461 415.0882       
199.2776 451.2909       104.5539 34.33297 11.61572 43.65140 5.705101 -9.318432 
12.94114 
1 1 1 20  34  7  o 30.34416 6.566731  267.4842       81.70643 246.7530       
209.4743 271.2043       88.73497 27.71044 11.32999 32.97789 6.642226 -5.267450 
13.13346 
1 1 1 20  34  8  o 22.58212 6.700315  107.3695       99.83042 88.73342       
198.8043 113.6533       115.4405 23.16808 10.26698 21.99615 8.611968 1.171926 
13.40063 
1 1 1 20  34  9  o 23.73815 6.997646  102.1440       99.49515 220.1154       
208.8886 67.52636       113.1554 27.60285 11.30476 19.87346 8.250499 7.729395 
13.99529 
1 1 1 20  34  10 o 31.16962 7.586504  252.6775       102.1795 383.9174       
232.0826 221.1212       113.8029 33.67262 12.43244 28.66661 8.697963 5.006008 
15.17301 
1 1 1 20  34  11 o 29.15876 7.769646  162.7188       110.4881 474.6949       
245.7200 83.65656       123.6985 37.14164 12.88200 21.17589 8.690429 15.96575 
15.53929 
1 1 1 20  34  12 o 22.38643 6.736291  86.75655       107.2032 -16.00167      
218.1879 119.4577       123.0846 21.88877 10.10888 22.88409 8.906236 
-0.9953232     13.47258 
1 1 1 20  34  13 o 21.95648 6.362098  76.64225       106.6278 -265.7676      
232.4279 167.9136       120.0003 18.42013 9.008042 25.49284 8.986676 -7.072704 
12.72420 
1 1 1 20  34  14 o 30.67442 7.644938  237.7817       103.0349 357.9359       
239.5881 210.5177       114.1276 33.13967 12.54480 28.20918 8.741190 4.930487 
15.28988 
1 1 1 20  34  15 o 19.41935 6.349919  -26.64503      99.14573 29.39153       
215.4227 -41.70454      111.6763 22.89829 10.38563 15.94042 7.309216 6.957869 
12.69984 
1 1 1 20  34  16 o 29.15558 7.471917  231.3508       107.3817 238.2369       
234.3308 229.5204       120.8132 29.03695 11.94634 29.27422 8.977918 
-0.2372665     14.94383 
1 1 1 20  34  17 o 59.27412 5.772556  744.3445       121.8458 1178.396       
270.9892 634.3558       136.4128 66.42008 9.717928 52.12816 6.233098 14.29192 
11.54511 
1 1 1 20  34  18 o 36.04594 8.009400  382.3048       124.6034 429.3484       
260.3074 368.3217       141.9188 35.14449 13.12845 36.94739 9.178545 -1.802898 
16.01880 
1 1 1 20  34  19 o 25.89275 7.710479  132.7689       125.0600 267.2588       
253.9580 89.71424       143.6903 29.66654 12.34086 22.11895 9.247112 7.547585 
15.42096 
1 1 1 20  34  20 o 26.36515 7.104137  191.6157       114.3127 51.44683       
223.4844 241.2835       133.0328 23.32538 10.57881 29.40492 9.484922 -6.079544 
14.20827 
1 1 1 20  34  21 o 40.96867 7.630280  511.9554       122.3082 491.4873       
278.4211 516.8497       136.1485 35.87270 13.53974 46.06465 7.039892 -10.19195 
15.26056 
1 1 1 20  34  22 o 29.90808 7.867655  289.6943       134.3096 218.8159       
247.7771 319.1857       159.8275 27.38501 11.81739 32.43115 10.38986 -5.046141 
15.73531 
1 1 1 20  34  23 o 23.09624 7.468501  73.81474       152.3784 52.35958       
293.4037 81.73899       178.3115 24.01267 11.28172 22.17981 9.789621 1.832855 
14.93700 
1 1 1 20  34  24 o 23.77865 7.564739  74.31140       136.7798 310.0217       
273.7342 -4.125135      157.9061 28.64730 12.39226 18.91001 8.679461 9.737297 
15.12948 
1 1 1 20  34  25 o 30.66945 8.067813  346.6668       140.1142 304.8244       
279.9813 360.6471       161.8376 27.98036 12.31683 33.35855 10.42373 -5.378185 
16.13563 
1 1 1 20  34  26 o 25.92057 7.908457  223.1210       155.6819 161.4812       
297.5082 246.3644       182.6915 24.83947 11.59844 27.00167 10.75411 -2.162199 
15.81691 
1 1 1 20  35  7  o 18.46992 5.881668  28.63006       79.30155 60.45692       
177.4121 20.68326       88.65079 20.92021 9.459952 16.01962 6.991806 4.900585 
11.76334 
1 1 1 20  35  8  f 26.00323 7.032145  191.5648       96.40124 268.1272       
196.5760 167.3216       110.6158 27.71568 11.11187 24.29077 8.621519 3.424908 
14.06429 
1 1 1 20  35  9  o 45.59838 6.617505  699.0336       110.7624 416.1873       
222.1576 792.6021       127.7764 32.91278 12.16133 58.28398 5.221826 -25.37119 
13.23501 
1 1 1 20  35  10 o 23.10448 6.990525  114.3400       108.6924 192.4599       
211.8431 86.42666       126.6309 25.56599 10.97747 20.64296 8.658221 4.923035 
13.98105 
1 1 1 20  35  11 o 41.27889 7.241926  517.5943       119.4206 512.4341       
230.2140 519.4941       139.6841 37.24403 12.48483 45.31374 7.342402 -8.069710 
14.48385 
1 1 1 20  35  12 o 21.05608 6.661230  57.36795       105.9078 45.88981       
230.4677 60.44068       119.2440 22.60184 10.41961 19.51032 8.301787 3.091520 
13.32246 
1 1 1 20  35  13 o 19.82494 6.545846  -14.95436      108.8102 52.55113       
241.0572 -32.22821      121.9397 23.11421 10.65600 16.53566 7.605397 6.578556 
13.09169 
1 1 1 20  35  14 o 25.75739 7.111070  184.6513       106.2178 146.1003       
219.8611 196.3885       121.3144 25.00106 10.96042 26.51372 9.063023 -1.512657 
14.22214 
1 1 1 20  35  15 o 27.94764 6.641529  235.9480       118.7098 -107.5456      
230.7516 359.5750       138.4337 20.06554 9.614389 35.82973 9.165323 -15.76419 
13.28306 
1 1 1 20  35  16 o 31.17128 6.446178  325.2079       115.2709 -37.04041      
240.5313 433.2078       131.3349 21.54308 10.14856 40.79948 7.951070 -19.25640 
12.89236 
1 1 1 20  35  17 o 37.92798 7.460069  412.9917       114.3564 514.8395       
217.0782 373.8705       134.5385 38.93660 12.05346 36.91936 8.793441 2.017239 
14.92014 
1 1 1 20  35  18 o 19.50102 6.397703  -13.76651      118.0095 -40.71288      
217.2478 -2.487367      140.5541 20.60828 9.689677 18.39376 8.356589 2.214521 
12.79541 
1 1 1 20  35  19 o 28.97360 7.601040  266.0222       117.7688 238.4758       
259.5887 273.1612       132.1512 27.36536 11.95385 30.58184 9.391949 -3.216482 
15.20208 
1 1 1 20  35  20 o 37.83354 8.359713  470.9460       136.1247 581.9583       
281.5312 437.0740       155.5114 36.97484 13.68470 38.69224 9.605625 -1.717400 
16.71943 
1 1 1 20  35  21 o 21.84003 7.037646  70.70759       122.0905 3.439947       
298.6434 84.20615       133.7808 22.93958 10.97852 20.74049 8.808291 2.199097 
14.07529 
1 1 1 20  35  22 o 24.07529 7.272287  155.6010       137.0658 -16.45505      
262.9515 219.7920       160.6118 21.71656 10.37120 26.43402 10.19720 -4.717455 
14.54457 
1 1 1 20  35  23 o 21.20319 7.190231  -36.86069      154.2845 155.9364       
307.0739 -101.9655      178.4429 24.90261 11.66974 17.50377 8.403263 7.398844 
14.38046 
1 1 1 20  35  24 o 22.11506 6.827352  69.07015       143.0933 -394.1450      
285.7836 224.0567       165.3077 17.91791 8.958955 26.31221 10.30476 -8.394297 
13.65470 
1 1 1 20  36  12 o 18.54676 6.259873  -60.49292      107.2145 84.76929       
229.7074 -100.9524      121.2296 22.61676 10.41733 14.47677 6.944297 8.139986 
12.51975 
1 1 1 20  36  13 o 25.21561 7.007508  199.2607       112.3304 75.00430       
239.2286 234.4053       127.2283 22.62680 10.50134 27.80442 9.281298 -5.177616 
14.01502 
1 1 1 20  36  14 o 20.05928 6.281301  48.60882       111.1455 -176.7903      
223.6199 122.5593       128.0870 18.13692 8.861651 21.98164 8.904497 -3.844723 
12.56260 
1 1 1 20  36  15 o 28.53163 7.183576  270.5755       108.7167 211.3988       
231.1169 287.3905       123.1980 25.71653 11.25603 31.34673 8.928421 -5.630194 
14.36715 
1 1 1 20  36  16 o 33.36866 7.801497  325.4183       109.6382 536.2835       
240.1061 269.8695       123.2361 36.50028 12.72684 30.23704 9.026674 6.263243 
15.60299 
1 1 1 20  36  17 o 20.10211 6.612272  18.78687       115.6521 45.62471       
247.3410 11.27745       130.8355 22.26187 10.43963 17.94235 8.118052 4.319513 
13.22454 
1 1 1 20  36  18 o 24.84530 7.503125  162.3750       120.9458 277.9894       
253.9332 128.4521       137.5496 27.32345 11.87916 22.36715 9.169141 4.956303 
15.00625 
1 1 1 20  36  19 o 24.27554 7.279244  170.5126       126.5391 98.06487       
257.1300 193.6654       145.3592 23.32843 10.85011 25.22264 9.706939 -1.894209 
14.55849 
1 1 1 20  36  20 o 22.22593 6.851156  103.3970       129.6522 -151.2134      
263.8554 184.4408       148.8633 19.68896 9.621360 24.76290 9.756166 -5.073942 
13.70231 
1 1 1 21  -20 0  o 25.59675 7.203023  158.2698       124.3907 12.67180       
163.3770 359.0761       191.8677 19.41078 8.875464 31.78272 11.34726 -12.37194 
14.40605 
1 1 1 21  -20 1  o 17.42174 5.935403  -120.9083      129.8208 -67.32979      
177.4621 -182.5900      190.4095 18.10274 8.603535 16.74074 8.178949 1.362000 
11.87081 
1 1 1 21  -20 2  o 24.61922 7.352513  174.5250       132.7400 105.5124       
185.2522 247.3457       190.2947 22.32226 9.899136 26.91619 10.87405 -4.593935 
14.70503 
1 1 1 21  -19 0  o 29.23510 7.615559  245.5648       124.1853 165.8911       
163.2644 354.9474       191.2970 25.23338 10.12252 33.23681 11.38075 -8.003428 
15.23112 
1 1 1 21  -19 1  o 19.28177 6.336550  -32.54206      123.4630 -24.49434      
168.2493 -41.93166      181.7358 19.19500 8.869449 19.36854 9.052090 
-0.1735363     12.67310 
1 1 1 21  -19 2  o 24.52884 7.339148  155.1383       130.2549 168.4070       
171.6098 137.1048       200.0631 24.87740 10.22719 24.18028 10.52886 0.6971169 
14.67830 
1 1 1 21  -19 3  o 16.13126 5.598036  -206.9068      127.5086 -161.3394      
160.0499 -286.0789      210.9670 15.76197 7.656263 16.50056 8.169068 
-0.7385931     11.19607 
1 1 1 21  -19 4  o 24.01047 7.477602  132.4193       138.3514 76.94010       
169.0510 244.9463       240.7581 21.30879 9.452193 26.71214 11.58940 -5.403347 
14.95520 
1 1 1 21  -19 5  o 23.39169 7.209692  140.0241       131.9216 136.3999       
171.5210 145.2731       206.4194 23.05516 9.887774 23.72822 10.49527 
-0.6730633     14.41938 
1 1 1 21  -18 0  o 26.04987 7.144148  114.2232       121.7795 -36.03133      
159.4192 324.7542       188.7056 19.07202 8.740047 33.02772 11.30341 -13.95570 
14.28830 
1 1 1 21  -18 1  o 28.68667 7.460964  185.7004       129.2249 25.80346       
170.5786 401.0690       197.9682 21.17377 9.435722 36.19957 11.55989 -15.02581 
14.92193 
1 1 1 21  -18 2  o 21.14855 6.762743  14.20682       126.1708 24.90544       
158.3923 -4.367859      208.7041 20.51863 9.119536 21.77847 9.988633 -1.259838 
13.52549 
1 1 1 21  -18 3  o 19.87888 6.483235  -40.74709      130.6687 56.21530       
157.5362 -254.5525      233.9312 21.31355 9.311252 18.44422 9.023855 2.869337 
12.96647 
1 1 1 21  -18 4  o 24.20236 7.326384  126.6462       129.9971 117.5299       
165.3410 141.4050       210.3764 23.39221 9.856178 25.01251 10.84248 -1.620298 
14.65277 
1 1 1 21  -18 5  f 19.75821 6.512908  -27.81338      132.3568 20.30001       
169.5943 -102.7756      211.6896 20.22423 9.185852 19.29218 9.235369 0.9320526 
13.02582 
1 1 1 21  -18 6  f 23.37352 7.252966  66.12730       139.4060 -83.25533      
179.5924 292.5893       221.1238 18.07888 8.618950 28.66817 11.66772 -10.58928 
14.50593 
1 1 1 21  -18 7  o 25.71163 7.542124  194.1842       130.5312 130.6289       
165.6534 298.2804       212.0032 22.87135 9.759970 28.55191 11.50120 -5.680555 
15.08425 
1 1 1 21  -17 0  o 30.24416 7.415091  204.0950       128.4410 31.88892       
170.9317 427.4265       194.6585 21.82169 9.614263 38.66663 11.29160 -16.84493 
14.83018 
1 1 1 21  -17 1  o 47.24750 6.987211  587.4293       131.0343 586.6821       
163.2229 588.7839       219.7617 49.21819 7.899080 45.27681 11.52775 3.941372 
13.97442 
1 1 1 21  -17 2  o 49.14432 7.185868  664.7278       142.9111 743.4478       
186.4542 552.6244       222.5048 55.13912 8.054404 43.14952 11.90266 11.98960 
14.37174 
1 1 1 21  -17 3  o 27.49862 7.452530  117.5901       134.2094 -69.86388      
173.7700 394.7161       211.2837 19.08884 8.894206 35.90839 11.96051 -16.81956 
14.90506 
1 1 1 21  -17 4  o 25.69757 7.178989  123.4526       134.6724 290.2574       
173.9558 -126.0762      212.7625 31.65063 10.85216 19.74452 9.401176 11.90610 
14.35798 
1 1 1 21  -17 5  o 32.57623 7.868046  268.7203       137.4813 103.6611       
173.9987 543.0023       224.2977 23.61918 10.03855 41.53329 12.11825 -17.91411 
15.73609 
1 1 1 21  -17 6  o 29.24241 7.224251  227.9804       134.7800 422.6942       
177.3486 -38.23008      207.3681 37.67950 10.70609 20.80531 9.702523 16.87420 
14.44850 
1 1 1 21  -17 7  o 28.77992 7.730164  258.8318       131.2250 291.3340       
167.6013 207.3434       210.9477 30.68864 10.63949 26.87120 11.21708 3.817440 
15.46033 
1 1 1 21  -17 8  o 23.25618 7.188004  91.40865       129.8141 9.981139       
163.4095 230.7038       213.7272 19.57248 8.923615 26.93987 11.27114 -7.367392 
14.37601 
1 1 1 21  -17 9  o 21.28325 6.770075  51.75245       133.5605 145.9990       
171.2534 -94.57569      213.3882 23.52069 9.976358 19.04581 9.154669 4.474878 
13.54015 
1 1 1 21  -17 10 o 21.45465 6.853575  59.44198       139.9564 153.0037       
168.0086 -152.6953      252.9826 23.56228 9.931962 19.34702 9.446802 4.215256 
13.70715 
1 1 1 21  -16 0  o 61.12200 6.627111  958.7498       154.6451 1041.433       
195.7317 821.3917       252.2779 67.10807 6.947163 55.13594 11.28766 11.97213 
13.25422 
1 1 1 21  -16 1  o 43.63360 11.79352  538.9229       221.1959 538.9229       
221.1959 0.000000       0.000000 43.63360 11.79352 ?        ?        ? ? 
1 1 1 21  -16 2  o 38.09256 7.338005  389.8860       125.3148 266.2591       
173.4622 524.8439       181.2373 31.40646 10.83012 44.77865 9.904236 -13.37219 
14.67601 
1 1 1 21  -16 3  o 39.48242 8.126704  425.4863       139.4429 354.1209       
175.4631 547.8221       229.7305 35.73503 10.79178 43.22981 12.15363 -7.494781 
16.25341 
1 1 1 21  -16 4  o 20.16199 6.594651  -59.96807      131.9225 -35.19312      
174.3349 -93.16299      201.7965 20.14153 9.192375 20.18246 9.458220 
-0.4092598E-01 13.18930 
1 1 1 21  -16 5  o 49.54435 7.131996  676.5668       146.0341 913.5247       
203.9077 427.0481       209.2424 61.30905 7.921916 37.77966 11.86190 23.52939 
14.26399 
1 1 1 21  -16 6  o 29.35172 7.895042  193.6536       147.4531 13.07305       
198.6944 415.0128       219.9879 22.17011 10.01895 36.53333 12.20440 -14.36322 
15.79008 
1 1 1 21  -16 7  o 26.65170 7.516478  179.9081       128.9542 221.9194       
164.5622 113.0650       207.5752 28.37841 10.47066 24.92499 10.78680 3.453424 
15.03296 
1 1 1 21  -16 8  o 45.04881 7.512498  592.4517       137.1821 612.5778       
172.8208 558.1698       225.5536 48.26462 8.859697 41.83299 12.13492 6.431625 
15.02500 
1 1 1 21  -16 9  o 24.33085 7.274380  136.3458       126.0525 146.0618       
157.7236 119.1687       209.7142 24.29787 9.865806 24.36383 10.69263 
-0.6596756E-01 14.54876 
1 1 1 21  -16 10 o 21.41695 6.837858  41.72879       124.6218 -2.607178      
153.9673 125.9533       212.2119 18.88118 8.626130 23.95272 10.61203 -5.071537 
13.67572 
1 1 1 21  -16 11 o 23.02253 7.252699  102.2927       131.3806 56.35618       
157.9017 205.6415       236.8431 20.37284 9.078581 25.67222 11.31309 -5.299383 
14.50540 
1 1 1 21  -15 0  o 30.54962 6.961318  233.4530       110.6433 335.7983       
148.3438 105.1336       166.1047 36.34851 9.583423 24.75072 10.09940 11.59780 
13.92264 
1 1 1 21  -15 1  o 24.16953 6.926703  101.9194       109.8889 125.6947       
148.2619 72.93681       163.6945 24.93725 9.760500 23.40182 9.831049 1.535437 
13.85341 
1 1 1 21  -15 2  o 61.24926 7.753311  968.5920       185.3658 1008.129       
312.1534 947.0552       230.3850 59.85846 12.79496 62.64006 8.760384 -2.781605 
15.50662 
1 1 1 21  -15 3  o 20.02814 9.123454  -43.97770      170.0062 -43.97770      
170.0062 0.000000       0.000000 20.02814 9.123454 ?        ?        ? ? 
1 1 1 21  -15 4  o 34.66758 7.714556  275.1662       137.7500 89.36288       
176.4074 565.4729       220.5051 24.22194 10.19203 45.11322 11.58361 -20.89128 
15.42911 
1 1 1 21  -15 5  o 31.61703 8.023602  257.3404       136.9798 171.8688       
181.0819 371.6715       209.4336 27.28483 10.75693 35.94924 11.90803 -8.664415 
16.04720 
1 1 1 21  -15 6  o 29.09475 8.022609  174.3920       143.4465 55.87119       
181.9789 368.8820       233.1161 23.08738 10.04717 35.10212 12.51013 -12.01473 
16.04522 
1 1 1 21  -15 7  o 20.79282 6.741842  -34.91914      133.4412 2.767070       
174.0035 -88.73040      207.9234 21.06703 9.455096 20.51860 9.613058 0.5484295 
13.48368 
1 1 1 21  -15 8  o 54.64979 6.918654  834.6816       146.8103 1094.340       
197.1024 511.1127       220.0261 68.13858 6.890010 41.16100 11.99995 26.97758 
13.83731 
1 1 1 21  -15 9  o 20.65867 6.720942  -75.77903      131.8299 -190.4159      
167.8582 108.7391       212.9609 16.32361 7.903749 24.99372 10.87267 -8.670111 
13.44188 
1 1 1 21  -15 10 o 25.23224 7.598888  135.7303       142.6128 84.60055       
204.6337 184.0157       198.8602 23.76473 10.48848 26.69975 10.99837 -2.935022 
15.19778 
1 1 1 21  -15 11 o 22.12425 6.794061  55.50635       128.1466 -136.6231      
207.8844 173.2572       162.7447 18.81244 9.040874 25.43606 10.14395 -6.623625 
13.58812 
1 1 1 21  -15 12 o 25.60184 7.896112  173.5125       153.3931 270.1015       
257.5936 120.4434       190.9379 27.84887 12.03377 23.35481 10.22657 4.494051 
15.79222 
1 1 1 21  -15 13 o 20.84217 6.849120  28.41618       139.0733 -2.394192      
246.3515 42.82850       168.4898 21.42129 10.15991 20.26306 9.187928 1.158237 
13.69824 
1 1 1 21  -14 0  o 85.81769 4.599499  1623.988       162.8434 1510.177       
208.9120 1800.210       259.9574 82.43066 6.036647 89.20472 6.941214 -6.774063 
9.198997 
1 1 1 21  -14 1  o 41.92548 6.698782  423.8741       114.8711 334.2365       
150.4372 549.2242       177.8986 36.50076 9.663329 47.35022 9.279807 -10.84946 
13.39756 
1 1 1 21  -14 2  o 32.79883 7.664288  283.5363       127.7629 343.3582       
157.6994 169.2695       217.9516 36.75179 9.968926 28.84587 11.64413 7.905924 
15.32858 
1 1 1 21  -14 3  o 31.07720 7.981086  228.6053       133.6066 169.2934       
172.7162 316.9816       210.8288 27.67009 10.59927 34.48432 11.93509 -6.814230 
15.96217 
1 1 1 21  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -14 5  o 30.62346 7.841683  234.0071       136.4932 324.4280       
183.5361 122.1132       204.1693 34.75448 11.13380 26.49243 11.04566 8.262045 
15.68337 
1 1 1 21  -14 6  o 28.96327 7.559130  190.2480       136.1551 328.3893       
179.9435 5.231915       208.2472 34.81396 11.01135 23.11258 10.35915 11.70138 
15.11826 
1 1 1 21  -14 7  f 22.03722 6.967784  1.826178       133.4654 58.52501       
171.3007 -85.76264      212.9101 22.93925 9.861200 21.13520 9.846664 1.804047 
13.93557 
1 1 1 21  -14 8  o 29.69026 7.890131  230.7056       132.7570 240.8376       
170.7707 215.2292       211.0578 30.11364 10.70986 29.26688 11.58946 0.8467598 
15.78026 
1 1 1 21  -14 9  o 35.56313 8.838573  386.1713       162.0031 373.9506       
272.7451 392.8332       201.3748 34.48132 13.29107 36.64493 11.65456 -2.163609 
17.67715 
1 1 1 21  -14 10 o 30.11368 8.186405  245.1067       137.9482 285.5661       
252.9479 227.9792       164.5765 31.21523 12.56746 29.01212 10.49418 2.203110 
16.37281 
1 1 1 21  -14 11 o 16.39515 5.647449  -255.4898      131.4808 -728.6512      
252.2447 -78.97690      154.0656 15.10328 7.677481 17.68703 8.284385 -2.583755 
11.29490 
1 1 1 21  -14 12 o 20.32295 6.633204  -30.10659      133.9957 -200.9968      
239.5046 47.75409       161.6644 19.40313 9.406385 21.24277 9.355077 -1.839645 
13.26641 
1 1 1 21  -14 13 o 23.73198 7.370364  111.8545       142.2251 33.79854       
241.8344 153.1270       175.8511 22.85753 10.58919 24.60643 10.25466 -1.748901 
14.74073 
1 1 1 21  -14 14 o 24.75777 7.596210  163.8697       153.9686 31.71339       
248.4844 246.2328       196.1650 22.28818 10.45408 27.22737 11.02369 -4.939192 
15.19242 
1 1 1 21  -14 15 o 23.44197 7.282494  101.3150       158.5075 -215.0383      
265.8438 275.8167       197.4423 19.02779 9.371550 27.85614 11.14957 -8.828346 
14.56499 
1 1 1 21  -13 0  o 23.36053 6.833644  67.93100       108.2849 63.48517       
143.2798 73.85253       165.3581 22.62295 9.330178 24.09810 9.987119 -1.475151 
13.66729 
1 1 1 21  -13 1  o 47.12129 6.645675  571.3257       122.7254 673.3540       
155.0237 400.0258       200.8707 54.88208 6.728039 39.36051 11.46270 15.52156 
13.29135 
1 1 1 21  -13 2  o 47.36874 7.087009  620.4376       134.2167 763.8613       
165.4924 344.8070       229.4199 58.38604 6.751343 36.35144 12.46283 22.03460 
14.17402 
1 1 1 21  -13 3  o 32.87412 7.775744  276.0285       127.1493 313.0921       
156.3028 203.5172       218.6229 35.32628 10.05506 30.42197 11.86358 4.904310 
15.55149 
1 1 1 21  -13 4  o 24.50097 7.262920  79.03615       123.7234 100.2504       
154.6939 41.37561       206.1115 24.42295 9.830052 24.57900 10.69440 
-0.1560555     14.52584 
1 1 1 21  -13 5  o 23.08958 7.183925  18.15545       133.9818 37.00134       
173.9295 -9.348240      210.1165 22.89355 9.890351 23.28562 10.42190 
-0.3920708     14.36785 
1 1 1 21  -13 6  o 62.50572 9.111108  940.5327       239.0947 940.5327       
239.0947 0.000000       0.000000 62.50572 9.111108 ?        ?        ? ? 
1 1 1 21  -13 7  o 31.78985 8.052318  259.6126       134.5078 257.1369       
171.9510 263.5161       215.9132 31.58640 10.78995 31.99330 11.95560 
-0.4068928     16.10464 
1 1 1 21  -13 8  o 40.04330 8.770994  476.8782       171.7027 326.3952       
271.6669 576.9775       221.5688 34.15013 13.24374 45.93646 11.50325 -11.78633 
17.54199 
1 1 1 21  -13 9  o 25.92233 7.797846  111.4629       138.2974 86.27285       
268.1043 120.5956       161.4325 26.98455 11.94506 24.86011 10.02702 2.124447 
15.59569 
1 1 1 21  -13 10 o 26.29528 7.938600  110.9957       149.8459 187.6094       
247.7798 66.81947       188.1512 28.87932 12.11199 23.71123 10.26573 5.168091 
15.87720 
1 1 1 21  -13 11 o 18.92224 6.433679  -153.0126      135.3949 -163.4038      
246.1658 -148.5057      162.1196 20.90534 9.995936 16.93913 8.102478 3.966215 
12.86736 
1 1 1 21  -13 12 o 59.08474 8.197971  651.2576       169.4275 1922.381       
412.2315 392.8940       185.8502 81.42026 12.05951 36.74923 11.10833 44.67103 
16.39594 
1 1 1 21  -13 13 o 22.40840 10.22092  -341.1027      181.5487 -1216.305      
339.4125 9.654516       214.8705 ?        ?        22.40840 10.22092 ? ? 
1 1 1 21  -13 14 o 24.81797 7.704825  87.16815       153.2026 267.2088       
245.1845 -28.14929      196.2254 29.14939 12.12578 20.48656 9.509087 8.662840 
15.40965 
1 1 1 21  -13 15 o 28.83131 7.925603  268.7364       157.9650 38.46031       
247.0336 428.0277       205.4602 22.70876 10.59008 34.95386 11.79453 -12.24510 
15.85121 
1 1 1 21  -13 16 o 29.05175 8.338769  324.6320       161.8993 269.9332       
263.4044 357.8430       205.2459 27.12223 11.94283 30.98128 11.64084 -3.859056 
16.67754 
1 1 1 21  -12 0  o 18.20941 6.009427  -116.3239      112.2796 -67.90568      
141.9825 -197.1460      183.4407 18.24658 8.318810 18.17224 8.674691 
0.7433891E-01  12.01885 
1 1 1 21  -12 1  o 24.73709 7.314825  65.44944       119.0562 51.26085       
143.3372 97.01576       213.7968 22.29655 9.272979 27.17764 11.31541 -4.881086 
14.62965 
1 1 1 21  -12 2  o 38.12653 7.659315  369.0584       125.6003 391.8051       
152.3300 320.7559       221.9785 40.40736 9.185061 35.84570 12.25949 4.561668 
15.31863 
1 1 1 21  -12 3  o 44.56071 7.312988  464.9339       128.5271 406.1957       
157.0009 584.2821       223.7948 41.01683 9.325661 48.10459 11.26726 -7.087761 
14.62598 
1 1 1 21  -12 4  o 65.29546 5.079016  968.9849       137.2865 1107.365       
190.4096 819.1634       198.1252 70.64224 6.420154 59.94867 7.871928 10.69357 
10.15803 
1 1 1 21  -12 5  o 35.49855 7.469075  309.5315       118.6442 261.7498       
155.2417 376.6329       183.9687 32.56227 10.21594 38.43483 10.89875 -5.872551 
14.93815 
1 1 1 21  -12 6  o 27.97878 7.595577  164.5784       125.3212 141.9531       
174.6381 188.5991       179.9428 26.91701 10.57906 29.04055 10.90205 -2.123541 
15.19115 
1 1 1 21  -12 7  o 31.16863 11.56666  234.2008       201.3963 0.000000       
0.000000 234.2008       201.3963 ?        ?        31.16863 11.56666 ? ? 
1 1 1 21  -12 8  o 30.87374 8.381571  211.6444       140.1158 289.0327       
266.6179 182.1159       164.6920 33.61020 13.10240 28.13727 10.45609 5.472925 
16.76314 
1 1 1 21  -12 9  o 37.82426 8.397188  405.2321       148.3708 324.1557       
273.6417 438.9932       176.5807 34.47641 13.30798 41.17210 10.24446 -6.695694 
16.79438 
1 1 1 21  -12 10 o 32.12735 7.935115  282.5767       142.7445 95.74406       
256.4080 366.4864       171.8348 27.14203 11.86813 37.11267 10.53621 -9.970646 
15.87023 
1 1 1 21  -12 11 o 63.76217 7.172637  1007.230       176.4736 1169.800       
310.8167 929.8915       214.3792 65.30576 11.76573 62.21858 8.206984 3.087181 
14.34527 
1 1 1 21  -12 12 o 33.37849 8.759671  332.2818       168.9619 206.9943       
300.7484 390.0627       204.2404 30.07730 12.99981 36.67969 11.74445 -6.602385 
17.51934 
1 1 1 21  -12 13 o 32.71095 9.110318  318.5816       174.7348 311.0893       
351.3980 321.0428       201.3994 32.33220 14.01416 33.08971 11.64453 
-0.7575073     18.22064 
1 1 1 21  -12 14 o 46.77544 8.834956  465.4193       196.1837 1487.858       
381.0450 96.63779       228.8454 68.40497 13.75179 25.14591 11.09568 43.25906 
17.66991 
1 1 1 21  -12 15 o 25.45588 7.551398  112.7872       156.5985 -176.0665      
256.3807 284.6858       197.7800 20.42540 9.868615 30.48637 11.43262 -10.06097 
15.10280 
1 1 1 21  -12 16 o 24.87063 7.751852  139.9191       158.9872 91.07389       
252.2365 172.1167       204.7897 24.21394 11.05350 25.52732 10.87129 -1.313385 
15.50370 
1 1 1 21  -12 17 o 28.13623 8.307713  295.6388       174.2907 143.8526       
322.1441 358.4572       207.2419 25.08569 11.79617 31.18677 11.70140 -6.101080 
16.61543 
1 1 1 21  -11 0  o 85.03933 5.774523  1705.102       173.6928 1794.495       
201.9618 1451.139       340.4090 91.14906 5.277621 78.92960 10.27264 12.21945 
11.54905 
1 1 1 21  -11 1  o 26.14950 7.463545  101.9430       118.7371 103.7761       
141.6376 97.60878       217.7924 24.63317 9.560710 27.66583 11.46346 -3.032667 
14.92709 
1 1 1 21  -11 2  o 40.69115 7.649490  397.2725       125.9421 385.3031       
151.1970 424.3976       227.6104 40.34536 9.137008 41.03694 12.27085 
-0.6915779     15.29898 
1 1 1 21  -11 3  o 78.40851 4.835320  1382.926       152.8125 1458.540       
194.6857 1261.578       246.6315 81.87267 5.663908 74.94436 7.838459 6.928307 
9.670641 
1 1 1 21  -11 4  o 32.79970 7.556221  249.7228       118.3610 205.6494       
154.1293 313.0723       184.7860 29.93140 10.21550 35.66800 11.13685 -5.736591 
15.11244 
1 1 1 21  -11 5  o 44.30359 6.487345  434.9102       122.3091 205.8731       
157.8457 779.0614       193.4883 29.90893 10.32943 58.69825 7.851461 -28.78932 
12.97469 
1 1 1 21  -11 6  o 33.59146 8.316469  263.1174       144.2929 352.1000       
223.4837 199.5058       188.9563 37.10265 12.30098 30.08027 11.19556 7.022385 
16.63294 
1 1 1 21  -11 7  o 65.63438 5.977437  996.2055       163.9731 987.7002       
242.4610 1003.374       222.5964 65.06783 8.875578 66.20092 8.008941 -1.133087 
11.95487 
1 1 1 21  -11 8  o 25.22123 7.797511  -13.96861      142.5868 197.5119       
270.2626 -95.53826      167.8475 31.38431 12.85695 19.05815 8.826304 12.32616 
15.59502 
1 1 1 21  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -11 10 o 37.79676 8.882643  364.1540       157.4093 523.6951       
274.6758 286.1368       192.0787 42.40276 13.62417 33.19077 11.40120 9.211990 
17.76529 
1 1 1 21  -11 11 o 26.60299 7.965535  111.9138       151.7868 76.09533       
249.0823 133.0721       191.4385 26.64490 11.67368 26.56107 10.84086 
0.8383560E-01  15.93107 
1 1 1 21  -11 12 o 33.89060 8.934514  313.0816       162.3625 339.3820       
296.8024 301.8502       193.9567 34.47154 13.71411 33.30967 11.45537 1.161877 
17.86903 
1 1 1 21  -11 13 o 32.49249 9.240333  239.6739       172.0381 483.3288       
340.8945 156.4120       199.2763 37.91347 14.80821 27.07152 11.05676 10.84195 
18.48067 
1 1 1 21  -11 14 o 31.72626 8.938936  256.6049       167.4663 417.2885       
301.8228 185.1343       201.2936 35.65099 13.93187 27.80155 11.20363 7.849440 
17.87787 
1 1 1 21  -11 15 o 36.63971 9.286192  345.3824       171.0717 751.8632       
325.2969 189.9875       201.1307 45.68634 14.84079 27.59308 11.16622 18.09326 
18.57238 
1 1 1 21  -11 16 o 22.08882 7.248446  -25.85625      161.5495 -144.0666      
268.1169 41.52074       202.4194 21.47870 10.30889 22.69895 10.19248 -1.220247 
14.49689 
1 1 1 21  -11 17 o 29.21040 8.167922  270.8736       169.4726 3.830389       
302.4324 393.1114       204.6164 24.00090 11.32785 34.41991 11.77029 -10.41901 
16.33584 
1 1 1 21  -11 18 o 32.38000 7.988431  389.6586       175.9723 -39.03574      
304.1362 605.3989       215.7545 22.47519 10.83379 42.28481 11.74263 -19.80963 
15.97686 
1 1 1 21  -11 19 o 18.71719 6.562284  -236.6287      169.3546 -50.68132      
301.4209 -322.4072      204.7234 21.80162 10.56392 15.63277 7.788314 6.168853 
13.12457 
1 1 1 21  -10 0  o 114.6382 5.325415  2817.708       204.9030 2764.361       
228.6289 3035.463       461.9108 113.5980 4.793818 115.6784 9.511018 -2.080383 
10.65083 
1 1 1 21  -10 1  o 77.24376 5.363262  1197.337       147.6273 1099.094       
166.3523 1561.508       320.2827 71.36543 5.552161 83.12209 9.177791 -11.75666 
10.72652 
1 1 1 21  -10 2  o 23.89818 7.052526  -14.06042      118.5910 -115.4136      
146.4693 178.8385       202.0658 17.50901 8.161040 30.28734 11.50434 -12.77833 
14.10505 
1 1 1 21  -10 3  o 27.68747 7.102738  147.9604       114.0686 236.4659       
150.1982 27.34676       175.3386 31.88954 10.05734 23.48540 10.03222 8.404135 
14.20548 
1 1 1 21  -10 4  o 24.51122 6.418469  87.64115       98.91066 205.8733       
134.1677 -53.11715      146.3920 29.91473 9.512887 19.10771 8.619279 10.80702 
12.83694 
1 1 1 21  -10 5  o 65.09171 4.891156  964.8949       127.8359 1072.777       
165.3215 804.4638       201.6040 70.31257 5.600380 59.87086 8.020560 10.44171 
9.782312 
1 1 1 21  -10 6  o 56.49214 7.487078  817.0127       162.2382 593.5764       
267.3797 947.2104       204.1048 47.84875 12.98145 65.13553 7.463735 -17.28678 
14.97416 
1 1 1 21  -10 7  o 27.13447 7.735580  113.3306       135.3518 166.4625       
203.8926 71.46841       180.9816 29.30457 11.45097 24.96437 10.40347 4.340193 
15.47116 
1 1 1 21  -10 8  o 29.99249 7.838241  177.0981       136.6320 306.5022       
200.9092 65.75375       186.3632 35.09329 11.66318 24.89170 10.47485 10.20159 
15.67648 
1 1 1 21  -10 9  f 54.20815 6.756334  702.9238       149.8096 625.7831       
209.2556 784.0324       214.5698 50.38482 10.24840 58.03147 8.806961 -7.646648 
13.51267 
1 1 1 21  -10 10 o 48.72775 8.371526  617.1891       166.6078 651.7202       
266.7476 595.1015       213.3391 49.00320 12.81930 48.45231 10.77011 0.5508881 
16.74305 
1 1 1 21  -10 11 o 67.70099 9.749243  1112.829       277.1053 1112.829       
277.1053 0.000000       0.000000 67.70099 9.749243 ?        ?        ? ? 
1 1 1 21  -10 12 o 34.97886 8.417425  339.7569       167.4655 73.16681       
292.8208 469.3326       204.1464 28.07314 12.44802 41.88457 11.33398 -13.81142 
16.83485 
1 1 1 21  -10 13 o 37.29208 9.171981  381.8466       166.9883 483.8499       
298.0210 335.1651       201.6101 39.60887 14.14202 34.97529 11.68350 4.633583 
18.34396 
1 1 1 21  -10 14 o 31.69905 8.949689  225.8291       165.5905 416.1534       
309.6603 149.6091       195.9625 36.50743 14.14332 26.89066 10.97060 9.616764 
17.89938 
1 1 1 21  -10 15 o 31.74782 9.127632  254.2046       184.9110 410.3429       
306.5629 164.9120       231.8316 35.67307 14.01769 27.82257 11.69440 7.850506 
18.25526 
1 1 1 21  -10 16 o 41.69645 9.104734  460.1299       175.2533 913.5639       
315.4838 257.7556       210.7646 53.08073 13.96690 30.31216 11.68377 22.76856 
18.20947 
1 1 1 21  -10 17 o 30.90092 11.75671  9.365411       190.0171 -1162.294      
434.3129 286.7334       211.3149 ?        ?        30.90092 11.75671 ? ? 
1 1 1 21  -10 18 o 30.03354 8.546362  295.6565       172.2256 174.2300       
300.2749 355.1857       210.2457 27.20866 12.30515 32.85841 11.86358 -5.649742 
17.09272 
1 1 1 21  -10 19 o 28.57210 8.336085  266.6608       186.2967 -27.25749      
295.2834 461.0154       240.1171 22.63259 10.85201 34.51161 12.65683 -11.87902 
16.67217 
1 1 1 21  -10 20 o 20.70943 6.982681  -30.60367      168.2048 -174.6992      
292.6262 40.49978       205.5575 20.21933 9.950703 21.19954 9.798717 
-0.9802132     13.96536 
1 1 1 21  -9  0  o 79.65170 5.012698  1341.085       152.3909 1284.340       
179.6581 1486.631       287.7297 77.31679 5.534701 81.98660 8.359165 -4.669815 
10.02540 
1 1 1 21  -9  1  o 21.72973 6.817409  -25.47140      118.4277 10.97552       
141.2034 -111.9163      217.4624 21.04190 8.996111 22.41757 10.24589 -1.375669 
13.63482 
1 1 1 21  -9  2  o 32.56040 7.548142  239.1180       117.8141 238.6979       
153.0461 239.7290       184.5773 32.30231 10.14524 32.81849 11.17908 
-0.5161858     15.09628 
1 1 1 21  -9  3  o 76.72540 3.902116  1277.313       124.4402 1366.906       
168.6807 1170.326       184.3285 79.86138 5.030946 73.58942 5.966206 6.271957 
7.804232 
1 1 1 21  -9  4  o 55.62754 5.404651  656.8194       123.8056 530.6542       
158.6431 853.3517       198.0014 49.02967 7.706961 62.22542 7.579166 -13.19576 
10.80930 
1 1 1 21  -9  5  o 25.65341 7.669506  51.57262       140.3484 48.51633       
220.5709 53.65184       181.9292 26.51148 11.28616 24.79534 10.38787 1.716148 
15.33901 
1 1 1 21  -9  6  o 72.58097 5.769022  1186.808       172.5361 1118.806       
265.5918 1236.460       226.9461 70.28867 9.000164 74.87328 7.219663 -4.584610 
11.53804 
1 1 1 21  -9  7  o 38.41190 7.734811  327.1015       142.0729 577.9044       
217.3712 140.0599       187.7176 48.76535 10.89457 28.05845 10.98260 20.70689 
15.46962 
1 1 1 21  -9  8  o 30.78504 7.961089  201.7311       135.4857 261.0076       
197.2788 148.8145       186.3955 33.34436 11.54474 28.22572 10.96515 5.118641 
15.92218 
1 1 1 21  -9  9  o 21.85688 6.907436  -37.36481      130.8755 -84.94691      
192.1968 3.773749       178.7100 21.06195 9.628809 22.65181 9.906399 -1.589857 
13.81487 
1 1 1 21  -9  10 o 74.77651 6.154583  1288.262       193.0308 1365.163       
279.1439 1217.790       267.2199 76.96147 8.639247 72.59155 8.768066 4.369919 
12.30917 
1 1 1 21  -9  11 o 63.06822 7.055210  911.8942       178.3291 1200.844       
297.4662 749.7881       222.8058 70.70999 10.02024 55.42646 9.934728 15.28354 
14.11042 
1 1 1 21  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -9  13 o 28.32274 8.420776  135.6707       162.0986 133.3401       
288.8123 136.7425       195.8565 29.55835 12.75691 27.08714 10.99542 2.471210 
16.84155 
1 1 1 21  -9  14 o 28.52222 8.433254  156.1971       163.4256 105.0321       
293.0394 179.2940       196.8868 28.61727 12.59897 28.42717 11.21361 0.1900997 
16.86651 
1 1 1 21  -9  15 o 26.65525 8.280484  77.39060       164.8897 167.0731       
299.9627 38.55672       197.3872 29.77724 12.92793 23.53326 10.35057 6.243979 
16.56097 
1 1 1 21  -9  16 o 25.43455 8.073881  -66.96223      168.9792 308.1995       
305.9581 -231.6247      202.6983 32.92480 13.61140 17.94430 8.687929 14.98050 
16.14776 
1 1 1 21  -9  17 o 31.11744 8.963474  273.4759       179.7312 154.3043       
385.3745 306.6024       203.1816 29.72579 13.60835 32.50908 11.66998 -2.783295 
17.92695 
1 1 1 21  -9  18 f 24.54375 7.465419  22.27810       176.4118 -998.3945      
406.7183 258.7992       195.7877 19.06587 9.703959 30.02162 11.34738 -10.95576 
14.93084 
1 1 1 21  -9  19 o 27.18291 8.457832  181.4854       184.3856 186.7560       
297.9747 178.2150       234.7212 27.62935 12.38735 26.73648 11.51926 0.8928680 
16.91566 
1 1 1 21  -9  20 o 25.19728 7.952535  157.3125       168.3065 135.9740       
288.6945 168.2991       207.1522 25.27395 11.65540 25.12061 10.82233 0.1533413 
15.90507 
1 1 1 21  -9  21 o 22.18200 7.377395  37.04411       178.1562 -51.26092      
287.6328 92.00796       226.9259 21.57958 10.43083 22.78443 10.43559 -1.204847 
14.75479 
1 1 1 21  -8  0  o 61.20718 4.073277  787.5283       103.0622 715.6323       
132.4785 897.7455       164.0281 57.80986 5.458389 64.60452 6.047506 -6.794659 
8.146554 
1 1 1 21  -8  1  o 56.68923 5.007320  701.3942       115.2809 713.2617       
146.5239 682.1126       186.7672 57.57281 6.061944 55.80565 7.971564 1.767166 
10.01464 
1 1 1 21  -8  2  o 33.00846 7.069865  248.5836       104.6095 255.1925       
132.0045 237.4263       171.5157 33.34626 9.154441 32.67066 10.77628 0.6755981 
14.13973 
1 1 1 21  -8  3  o 25.85769 6.563048  131.5237       91.12773 151.9608       
121.6944 105.4348       137.4955 26.80682 9.077207 24.90856 9.481493 1.898258 
13.12610 
1 1 1 21  -8  4  o 100.2094 4.845797  2182.947       203.6706 2291.381       
288.1109 2074.629       287.9565 102.7845 6.676569 97.63434 7.024986 5.150116 
9.691594 
1 1 1 21  -8  5  o 45.76252 7.312659  490.6311       138.2064 617.3001       
200.7013 376.3958       190.5966 51.71803 9.602982 39.80702 11.03099 11.91101 
14.62532 
1 1 1 21  -8  6  o 73.17216 5.194675  1174.766       159.0366 1181.354       
216.6805 1167.074       234.1586 73.53122 7.018900 72.81310 7.659873 0.7181244 
10.38935 
1 1 1 21  -8  7  o 49.05429 6.779089  558.9504       135.9726 343.5294       
186.5665 803.0181       198.5843 37.88978 11.05110 60.21880 7.854776 -22.32901 
13.55818 
1 1 1 21  -8  8  o 61.41525 6.553801  850.6906       168.2648 755.1143       
228.0496 964.9011       249.2914 57.57151 9.435018 65.25898 9.098884 -7.687473 
13.10760 
1 1 1 21  -8  9  o 38.82827 7.719197  369.0430       136.4536 246.7539       
196.4192 483.1147       189.7050 32.84584 11.50537 44.81070 10.29420 -11.96486 
15.43839 
1 1 1 21  -8  10 o 29.06803 7.931766  161.1199       139.9623 87.78943       
213.6522 216.2475       185.2463 27.04515 11.28917 31.09091 11.14479 -4.045761 
15.86353 
1 1 1 21  -8  11 o 64.10017 6.058258  958.7077       158.5165 831.6542       
242.3686 1053.681       209.5481 59.56785 9.691376 68.63248 7.272357 -9.064625 
12.11652 
1 1 1 21  -8  12 o 62.39465 5.995959  892.7052       155.7042 933.5056       
238.0382 862.1929       205.8502 63.31278 8.955221 61.47652 7.975596 1.836266 
11.99192 
1 1 1 21  -8  13 o 25.95386 8.142471  30.24240       167.1383 -26.90228      
306.8349 54.35190       199.3017 27.09278 12.31889 24.81494 10.65103 2.277842 
16.28494 
1 1 1 21  -8  14 o 30.75445 13.19431  159.0825       305.5996 159.0825       
305.5996 0.000000       0.000000 30.75445 13.19431 ?        ?        ? ? 
1 1 1 21  -8  15 o 23.48104 7.694371  -72.15182      163.2845 8.142578       
298.6529 -106.3872      195.0121 26.82732 12.18626 20.13476 9.397253 6.692560 
15.38874 
1 1 1 21  -8  16 o 39.62638 9.614975  442.7815       177.2517 576.0740       
346.2321 395.4395       206.3421 41.62908 15.20506 37.62368 11.77273 4.005394 
19.22995 
1 1 1 21  -8  17 o 27.78167 8.852729  66.74490       198.1182 232.8004       
365.4732 -2.358416      235.7645 31.77169 14.02032 23.79165 10.81268 7.980040 
17.70546 
1 1 1 21  -8  18 o 31.12183 9.322284  254.8462       199.3904 289.5721       
368.4654 240.4668       237.1057 32.20350 14.15299 30.04016 12.13725 2.163343 
18.64457 
1 1 1 21  -8  19 o 32.03097 11.54690  48.76473       183.5559 -1399.897      
473.8212 304.5607       199.1030 ?        ?        32.03097 11.54690 ? ? 
1 1 1 21  -8  20 o 25.23824 8.115882  88.90620       189.0448 23.25395       
291.9903 136.2862       248.0510 24.53208 11.46868 25.94439 11.48650 -1.412310 
16.23176 
1 1 1 21  -8  21 o 27.75521 8.596580  240.0072       197.4698 95.80334       
283.2666 376.3398       275.4273 24.55826 11.40903 30.95215 12.86230 -6.393894 
17.19316 
1 1 1 21  -8  22 o 23.18176 7.767162  56.33198       204.4116 -35.67226      
303.5493 132.6716       276.5033 22.10954 10.69192 24.25397 11.26934 -2.144430 
15.53432 
1 1 1 21  -7  0  o 70.41598 4.739136  990.0335       132.3101 846.2319       
158.5965 1319.236       239.9627 62.81029 6.014285 78.02166 7.325708 -15.21137 
9.478271 
1 1 1 21  -7  1  o 34.94665 6.792054  242.0044       108.9782 108.0218       
138.7173 458.0187       176.1358 25.22003 9.545864 44.67326 9.664598 -19.45323 
13.58411 
1 1 1 21  -7  2  o 28.40634 6.998180  164.0634       106.6891 224.5358       
137.7856 73.52119       168.5975 31.59529 9.567508 25.21739 10.21572 6.377901 
13.99636 
1 1 1 21  -7  3  o 103.5992 3.517876  2275.975       145.9787 2247.481       
180.6762 2329.547       247.7404 102.9046 4.182031 104.2938 5.657953 -1.389244 
7.035752 
1 1 1 21  -7  4  o 88.14162 4.640222  1694.899       169.5745 1934.820       
235.3839 1436.024       244.5053 94.92733 5.906177 81.35591 7.158471 13.57142 
9.280444 
1 1 1 21  -7  5  o 55.31757 5.572994  647.0519       127.2234 538.5731       
163.2321 814.9291       203.0621 49.62317 7.835058 61.01196 7.927477 -11.38879 
11.14599 
1 1 1 21  -7  6  o 34.34065 7.293213  260.9717       114.5533 192.3171       
151.3423 353.0709       175.2885 29.86755 10.12272 38.81375 10.50211 -8.946194 
14.58643 
1 1 1 21  -7  7  o 55.33479 6.674920  747.2047       142.2477 374.4684       
205.0393 1093.066       197.5091 39.68755 11.58846 70.98203 6.627651 -31.29448 
13.34984 
1 1 1 21  -7  8  o 45.11663 7.553874  485.3431       141.4128 547.0027       
198.2284 421.4447       201.7950 48.30950 10.10106 41.92377 11.23444 6.385731 
15.10775 
1 1 1 21  -7  9  o 83.86494 5.082875  1534.742       178.2223 1651.235       
267.3158 1441.525       239.1228 86.62749 7.350045 81.10239 7.022770 5.525101 
10.16575 
1 1 1 21  -7  10 o 74.93665 5.551416  1238.699       173.4461 1341.900       
264.6252 1160.971       229.6549 77.49315 8.133717 72.38016 7.557484 5.112991 
11.10283 
1 1 1 21  -7  11 o 31.33458 8.217170  210.9534       141.8535 183.4380       
233.6275 227.0209       178.5296 31.08488 12.23000 31.58428 10.97791 
-0.4993973     16.43434 
1 1 1 21  -7  12 o 27.83747 7.617136  143.5160       130.0115 66.42986       
199.0182 200.9028       171.7162 25.65186 10.81111 30.02309 10.73326 -4.371223 
15.23427 
1 1 1 21  -7  13 o 51.35950 7.223550  655.8212       154.1807 335.4378       
214.3942 998.9923       221.8878 36.42618 12.04823 66.29283 7.972377 -29.86665 
14.44710 
1 1 1 21  -7  14 o 36.28207 9.203771  341.3333       173.1696 294.4048       
318.0261 361.1115       206.4611 35.24831 14.13289 37.31583 11.79402 -2.067520 
18.40754 
1 1 1 21  -7  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -7  16 o 59.27397 8.846647  906.2838       197.2420 1072.398       
375.6779 843.0673       231.7539 59.58607 15.01340 58.96188 9.362175 0.6241913 
17.69329 
1 1 1 21  -7  17 o 25.35178 8.351283  -40.30553      179.7156 40.51173       
385.8814 -62.69025      203.0849 29.34955 13.51175 21.35400 9.818771 7.995558 
16.70257 
1 1 1 21  -7  18 o 34.78790 9.424447  367.6656       197.1529 219.5061       
378.5292 422.8190       230.9515 31.74026 14.10356 37.83554 12.50482 -6.095282 
18.84889 
1 1 1 21  -7  19 o 38.99231 10.41977  514.0450       225.1573 658.9746       
382.2776 437.0616       278.6113 41.31934 15.78589 36.66528 13.60486 4.654053 
20.83955 
1 1 1 21  -7  20 o 19.67681 9.596514  -579.6678      223.7478 -1514.460      
447.9117 -268.8415      258.2817 ?        ?        19.67681 9.596514 ? ? 
1 1 1 21  -7  21 o 26.73088 8.490246  143.8501       200.1353 91.87905       
288.6926 191.9373       277.6957 25.75274 11.78481 27.70901 12.22519 -1.956274 
16.98049 
1 1 1 21  -7  22 o 24.23787 7.979174  76.86508       199.7124 12.78833       
297.7099 129.2940       269.2950 23.46275 11.14740 25.01299 11.41947 -1.550241 
15.95835 
1 1 1 21  -7  23 o 27.20177 8.480212  247.3235       205.2610 -9.555795      
304.6809 460.7990       277.7504 22.46439 10.83224 31.93914 13.05061 -9.474745 
16.96042 
1 1 1 21  -6  0  o 49.87215 5.742439  549.6550       106.9530 550.8969       
128.1398 546.8032       194.1887 50.72842 6.016636 49.01589 9.782766 1.712528 
11.48488 
1 1 1 21  -6  1  o 101.8807 3.525948  2202.890       146.6263 2184.014       
186.3789 2233.547       237.5199 101.4677 4.375119 102.2937 5.530602 
-0.8259201     7.051895 
1 1 1 21  -6  2  f 142.1242 5.124376  4333.292       288.2251 4271.883       
352.2494 4457.698       501.3701 141.2743 5.938931 142.9741 8.352607 -1.699860 
10.24875 
1 1 1 21  -6  3  o 24.89009 7.078856  74.47533       110.5545 83.20325       
179.6417 69.15456       140.2617 26.24195 10.58029 23.53823 9.407351 2.703722 
14.15771 
1 1 1 21  -6  4  o 85.34065 5.247818  1573.418       187.7397 1470.591       
257.9575 1689.225       273.7542 82.37115 7.459230 88.31017 7.383650 -5.939018 
10.49564 
1 1 1 21  -6  5  o 76.71041 4.982287  1267.462       160.1108 1351.348       
236.0925 1196.027       217.8658 79.02893 7.115693 74.39189 6.975647 4.637039 
9.964574 
1 1 1 21  -6  6  o 91.54124 4.694335  1823.416       178.4167 1676.700       
265.8399 1943.667       240.6719 87.94318 7.200108 95.13929 6.025408 -7.196106 
9.388669 
1 1 1 21  -6  7  o 50.05581 6.880626  598.9166       138.9718 359.4170       
203.5150 808.1655       190.2286 39.17953 11.57908 60.93209 7.436195 -21.75255 
13.76125 
1 1 1 21  -6  8  o 28.07639 7.607175  132.0878       127.8651 72.16330       
186.6722 185.0549       175.5014 25.97943 10.67111 30.17335 10.84453 -4.193914 
15.21435 
1 1 1 21  -6  9  o 35.26266 7.704865  261.6539       134.1157 445.8571       
202.1234 116.7598       179.2640 43.28841 11.07567 27.23690 10.71397 16.05151 
15.40973 
1 1 1 21  -6  10 o 28.91221 7.809229  153.6913       131.2181 140.7342       
200.5482 163.3907       173.5144 28.91437 11.34476 28.91006 10.73465 
0.4304886E-02  15.61846 
1 1 1 21  -6  11 f 50.37769 6.373726  563.0154       125.3242 639.3062       
217.0479 524.8597       153.4971 52.00083 10.30834 48.75455 7.499050 3.246284 
12.74745 
1 1 1 21  -6  12 o 84.80998 4.608908  1575.476       163.4600 1758.119       
234.2242 1402.066       228.2272 89.76246 6.215243 79.85750 6.807266 9.904961 
9.217815 
1 1 1 21  -6  13 o 38.24971 8.042326  359.1933       148.2942 511.0805       
206.9297 198.8294       212.6256 45.54208 10.94264 30.95733 11.78875 14.58475 
16.08465 
1 1 1 21  -6  14 o 29.69263 8.088027  170.9578       146.2814 253.2975       
205.9648 87.14951       207.7936 32.81489 11.75263 26.57036 11.11487 6.244526 
16.17605 
1 1 1 21  -6  15 o 31.66978 7.776853  201.8417       147.5839 414.4460       
203.9795 -31.71959      213.7967 40.07813 11.51223 23.26144 10.45879 16.81669 
15.55371 
1 1 1 21  -6  16 o 31.03544 8.925468  199.9708       177.8479 176.3883       
304.9334 212.1283       218.9428 31.39482 13.31408 30.67606 11.89080 0.7187672 
17.85094 
1 1 1 21  -6  17 o 33.63516 14.47656  245.6149       369.9785 245.6149       
369.9785 0.000000       0.000000 33.63516 14.47656 ?        ?        ? ? 
1 1 1 21  -6  18 o 31.98831 9.609509  154.7242       214.0002 491.5012       
379.0108 -2.890147      259.2856 38.93377 15.49489 25.04285 11.37010 13.89092 
19.21902 
1 1 1 21  -6  19 o 31.25129 9.445022  232.6887       217.1678 179.6109       
372.1956 260.0861       267.4055 30.94409 13.85966 31.55850 12.83524 
-0.6144142     18.89004 
1 1 1 21  -6  20 o 30.26740 9.295969  194.0928       213.6957 360.1356       
349.4553 94.91461       270.0782 33.84607 14.29816 26.68874 11.88372 7.157326 
18.59194 
1 1 1 21  -6  21 o 22.61063 7.537184  -198.7920      206.5316 -687.0059      
326.8069 125.8493       266.4944 18.42978 9.281617 26.79149 11.87805 -8.361712 
15.07437 
1 1 1 21  -6  22 o 33.81228 8.147849  332.5896       193.0594 -227.2628      
312.2518 679.0454       245.6361 21.61625 10.54405 46.00831 12.42468 -24.39206 
16.29570 
1 1 1 21  -6  23 o 20.12728 6.926610  -146.3058      174.4209 -96.58950      
303.3763 -170.8536      213.1762 22.03391 10.66114 18.22065 8.846004 3.813255 
13.85322 
1 1 1 21  -6  24 o 30.74584 8.446391  383.8665       178.5522 151.5917       
291.2906 523.6668       225.9849 24.67692 11.50471 36.81477 12.36963 -12.13785 
16.89278 
1 1 1 21  -5  0  o 32.33734 6.813100  239.5057       107.0484 329.2995       
136.4880 95.98597       172.5549 38.18002 8.705047 26.49466 10.48310 11.68536 
13.62620 
1 1 1 21  -5  1  o 36.62166 7.100803  304.4149       110.1619 306.2677       
138.8941 301.2730       180.8764 36.74621 9.050710 36.49711 10.94396 0.2491035 
14.20161 
1 1 1 21  -5  2  o 28.84434 7.195731  96.66644       131.4650 -145.8809      
189.9615 319.6155       182.1252 20.23184 9.377487 37.45684 10.91682 -17.22501 
14.39146 
1 1 1 21  -5  3  f 91.66400 3.935402  1787.675       151.2613 1707.950       
207.7208 1877.674       220.7004 89.50298 5.527942 93.82503 5.602804 -4.322052 
7.870804 
1 1 1 21  -5  4  o 89.70547 4.885211  1695.766       173.4978 1626.642       
210.7933 1840.943       305.4865 87.26862 5.753336 92.14233 7.896852 -4.873703 
9.770422 
1 1 1 21  -5  5  o 91.06682 4.311628  1788.663       163.5009 1910.425       
222.7912 1646.544       240.6956 94.58838 5.610240 87.54525 6.548723 7.043129 
8.623257 
1 1 1 21  -5  6  o 23.53960 6.865337  27.66792       116.5708 119.6655       
153.2955 -98.47082      179.5004 26.50590 10.03424 20.57330 9.372587 5.932600 
13.73067 
1 1 1 21  -5  7  o 37.14658 6.195757  291.7747       122.5892 596.5564       
169.4860 -42.61749      177.5282 52.39127 7.705413 21.90190 9.704444 30.48937 
12.39151 
1 1 1 21  -5  8  o 52.81243 6.533480  631.1583       140.1854 559.7734       
204.1703 694.8273       192.8205 49.25689 10.21559 56.36797 8.147827 -7.111080 
13.06696 
1 1 1 21  -5  9  o 86.71289 5.278442  1633.524       191.4072 1444.564       
264.2448 1842.115       277.6325 81.33264 7.738604 92.09313 7.180655 -10.76049 
10.55688 
1 1 1 21  -5  10 o 27.92563 7.805405  119.5520       134.9258 107.1943       
205.4952 128.9167       178.8876 28.07846 11.31799 27.77280 10.75176 0.3056564 
15.61081 
1 1 1 21  -5  11 o 34.15561 8.156026  260.4186       137.0761 284.5124       
215.1447 243.9546       177.8470 35.39243 12.06930 32.91878 10.97337 2.473648 
16.31205 
1 1 1 21  -5  12 o 119.1476 6.156692  3184.369       307.3895 3023.890       
439.3805 3338.208       430.1938 115.9218 9.028106 122.3733 8.373335 -6.451515 
12.31338 
1 1 1 21  -5  13 o 55.84503 6.990691  725.5313       159.7167 642.3229       
222.2905 814.3293       229.6356 51.81588 10.58424 59.87418 9.135255 -8.058296 
13.98138 
1 1 1 21  -5  14 o 30.49406 8.306924  184.9135       150.6508 213.4913       
202.7147 149.6594       225.1522 31.39866 11.61395 29.58945 11.88007 1.809210 
16.61385 
1 1 1 21  -5  15 o 32.35208 8.025773  217.8281       149.4440 394.8771       
209.1652 33.19883       213.5960 39.47561 11.75487 25.22855 10.93047 14.24706 
16.05155 
1 1 1 21  -5  16 o 58.31820 7.174811  820.0443       169.6350 803.8918       
223.0226 842.2167       261.2986 58.64402 9.058291 57.99237 11.12920 0.6516571 
14.34962 
1 1 1 21  -5  17 o 27.89973 8.746518  -4.328402      221.9881 -399.4503      
377.2540 204.9440       274.5518 24.20506 11.75653 31.59440 12.95339 -7.389349 
17.49304 
1 1 1 21  -5  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -5  19 o 42.57805 10.12619  584.7293       228.4700 384.3820       
363.5437 715.5087       293.7207 36.19215 14.88326 48.96395 13.73491 -12.77180 
20.25239 
1 1 1 21  -5  20 o 37.32597 10.18466  404.2678       213.9611 633.9749       
377.0920 295.2038       259.8369 42.00604 15.77958 32.64591 12.88075 9.360126 
20.36931 
1 1 1 21  -5  21 o 28.30182 8.670952  164.9915       182.7277 103.1135       
348.7455 188.4073       214.5334 28.48958 13.00194 28.11407 11.47567 0.3755054 
17.34190 
1 1 1 21  -5  22 o 30.88737 8.203556  229.9225       186.7315 -255.7883      
309.4786 507.9810       234.1584 21.71983 10.57704 40.05490 12.54271 -18.33507 
16.40711 
1 1 1 21  -5  23 o 22.98586 7.588048  -4.873693      173.2456 9.017895       
297.4376 -12.00640      213.1312 24.36632 11.43039 21.60541 9.982986 2.760914 
15.17610 
1 1 1 21  -5  24 f 24.07060 7.823669  97.53069       183.8092 -51.97625      
324.0416 168.4577       223.1906 22.92605 11.07989 25.21515 11.04877 -2.289097 
15.64734 
1 1 1 21  -5  25 o 25.59312 7.992215  210.2688       171.0083 154.1012       
261.2499 252.3773       226.2031 24.44277 11.19593 26.74347 11.40847 -2.300701 
15.98443 
1 1 1 21  -4  0  o 39.23233 6.465634  380.7672       104.4274 460.3601       
126.3329 209.0595       185.5555 46.39841 6.485363 32.06625 11.18739 14.33216 
12.93127 
1 1 1 21  -4  1  o 66.40563 4.765750  934.5687       126.8528 911.9837       
156.7392 977.4487       215.9704 65.44112 5.704897 67.37015 7.635682 -1.929031 
9.531500 
1 1 1 21  -4  2  f 123.0946 4.997837  3250.147       258.1951 3177.433       
359.3722 3327.727       371.2010 121.6853 7.034408 124.5040 7.101450 -2.818695 
9.995673 
1 1 1 21  -4  3  o 68.01648 5.110430  1002.190       144.1114 825.6913       
204.0249 1177.927       203.5843 61.84724 7.857491 74.18571 6.536499 -12.33846 
10.22086 
1 1 1 21  -4  4  o 80.47180 5.250392  1400.766       175.8895 1191.565       
247.8338 1613.073       249.6671 74.24127 7.951264 86.70232 6.858854 -12.46105 
10.50078 
1 1 1 21  -4  5  o 25.32162 7.146846  47.03573       114.5889 172.6366       
188.5000 -26.58470      144.3159 30.43558 11.20913 20.20767 8.869334 10.22791 
14.29369 
1 1 1 21  -4  6  o 57.37270 6.340755  732.5073       147.7465 692.4627       
221.0352 764.8497       198.6440 55.34004 9.868322 59.40535 7.964729 -4.065311 
12.68151 
1 1 1 21  -4  7  o 28.50831 7.762157  130.3676       132.4423 84.32437       
195.6846 169.2873       179.9115 27.12159 10.99812 29.89503 10.95654 -2.773439 
15.52431 
1 1 1 21  -4  8  o 90.03920 4.919538  1741.458       185.2207 1822.991       
276.8633 1675.406       249.1987 91.86176 7.178797 88.21664 6.728470 3.645111 
9.839077 
1 1 1 21  -4  9  o 50.45421 6.449385  578.1476       126.5716 542.5965       
212.2407 597.7696       157.6787 48.34595 10.73888 52.56247 7.145263 -4.216526 
12.89877 
1 1 1 21  -4  10 f 33.79541 7.112645  218.7194       125.0755 23.14824       
169.4301 452.9361       185.4159 23.39232 9.922570 44.19851 10.19321 -20.80619 
14.22529 
1 1 1 21  -4  11 o 58.44304 6.063452  784.4463       139.2603 654.4987       
216.0651 876.7903       182.1398 53.28316 10.02674 63.60293 6.821013 -10.31977 
12.12690 
1 1 1 21  -4  12 o 59.15284 6.877056  818.4969       160.9666 586.1278       
231.3405 1036.575       224.1139 49.60481 11.34905 68.70087 7.770117 -19.09606 
13.75411 
1 1 1 21  -4  13 o 106.8027 6.207880  2467.838       268.9449 2243.147       
333.7312 2884.081       454.2309 100.7314 7.891385 112.8740 9.585258 -12.14265 
12.41576 
1 1 1 21  -4  14 o 25.76232 7.761549  41.25838       148.4652 87.15054       
204.1016 -10.31049      216.3571 26.93257 11.12465 24.59208 10.82630 2.340485 
15.52310 
1 1 1 21  -4  15 o 32.58056 8.570630  222.2599       159.0595 144.8603       
218.7364 309.1150       231.7123 29.25654 11.72487 35.90457 12.50401 -6.648029 
17.14126 
1 1 1 21  -4  16 o 68.85407 6.593956  1137.935       178.2563 867.1163       
262.6423 1369.226       242.7196 59.50404 10.92111 78.20410 7.392587 -18.70006 
13.18791 
1 1 1 21  -4  17 o 26.29361 8.170491  29.92835       173.6736 1.009090       
265.2304 51.63509       229.7878 26.37274 11.75884 26.21449 11.34713 0.1582508 
16.34098 
1 1 1 21  -4  18 o 19.74664 6.767547  -305.5012      173.6079 -324.2270      
262.3490 -290.9127      231.5606 20.30390 9.843600 19.18938 9.289904 1.114517 
13.53509 
1 1 1 21  -4  19 o 28.73016 8.943068  87.77879       196.3117 165.5174       
346.4803 51.02378       238.2421 31.54690 13.79513 25.91343 11.38456 5.633465 
17.88614 
1 1 1 21  -4  20 o 41.92431 15.47193  584.5034       359.3501 584.5034       
359.3501 0.000000       0.000000 41.92431 15.47193 ?        ?        ? ? 
1 1 1 21  -4  21 o 41.51875 9.730980  552.2525       195.3823 505.9605       
375.3730 569.4543       228.8222 38.31767 15.35818 44.71983 11.95384 -6.402161 
19.46196 
1 1 1 21  -4  22 o 28.53936 8.974702  126.3581       186.0753 305.0193       
381.8815 70.73360       213.0819 32.60659 14.36757 24.47213 10.75891 8.134466 
17.94940 
1 1 1 21  -4  23 o 21.40911 7.215771  -113.7201      173.2498 -191.1365      
300.0435 -74.99870      212.1988 22.12596 10.68778 20.69226 9.697457 1.433697 
14.43154 
1 1 1 21  -4  24 o 24.67357 7.941856  68.68040       185.0792 -46.48767      
270.4090 170.1813       253.8575 22.67436 10.70457 26.67279 11.73476 -3.998425 
15.88371 
1 1 1 21  -4  25 f 27.88072 8.566686  240.7602       192.0011 63.78485       
258.3962 458.9271       286.8958 23.24233 10.83580 32.51911 13.27169 -9.276785 
17.13337 
1 1 1 21  -4  26 o 20.92812 7.171864  -77.39291      195.1116 -41.72382      
259.6117 -123.6896      295.7696 21.04036 10.10955 20.81588 10.17544 0.2244816 
14.34373 
1 1 1 21  -3  0  o 80.51855 4.142719  1407.076       133.6330 1480.902       
168.4073 1281.557       219.5901 83.60728 4.797752 77.42984 6.755003 6.177437 
8.285439 
1 1 1 21  -3  1  o 37.86320 6.676259  339.8729       104.2105 387.9865       
128.2753 246.4801       178.7170 41.90277 7.568735 33.82363 11.00018 8.079144 
13.35252 
1 1 1 21  -3  2  o 60.56435 5.311308  776.7393       132.2037 839.1059       
212.9156 737.6072       168.6545 62.40122 8.127099 58.72747 6.840339 3.673748 
10.62262 
1 1 1 21  -3  3  o 33.58944 7.915704  234.7865       132.8889 169.9558       
186.2114 302.0719       189.7039 30.38409 11.14566 36.79478 11.24312 -6.410696 
15.83141 
1 1 1 21  -3  4  o 84.70859 5.225313  1527.356       183.1792 1201.782       
247.6525 1920.647       272.1917 74.69158 7.897546 94.72559 6.844294 -20.03401 
10.45063 
1 1 1 21  -3  5  o 103.5739 4.790401  2340.488       203.8170 1855.828       
295.1126 2782.495       281.8276 92.87293 7.568672 114.2750 5.874264 -21.40203 
9.580802 
1 1 1 21  -3  6  o 61.20831 5.712598  801.4196       145.8677 937.9178       
218.2205 691.1683       196.1208 65.91231 7.885878 56.50432 8.267287 9.407986 
11.42520 
1 1 1 21  -3  7  o 113.7339 5.206803  2759.609       240.1104 2890.385       
398.2098 2684.898       300.9806 115.4762 8.213730 111.9915 6.401394 3.484764 
10.41361 
1 1 1 21  -3  8  o 123.6726 5.335837  3323.672       275.2567 3039.010       
400.1564 3579.339       379.2295 118.3736 8.051857 128.9715 7.003729 -10.59796 
10.67167 
1 1 1 21  -3  9  o 21.02555 6.762381  -123.6506      136.3931 -290.1182      
211.6393 -5.398322      178.3760 18.92750 9.102493 23.12360 10.00319 -4.196104 
13.52476 
1 1 1 21  -3  10 o 74.63985 5.439229  1211.736       170.1076 1272.405       
237.8161 1148.174       243.4187 76.65176 7.389927 72.62794 7.983095 4.023819 
10.87846 
1 1 1 21  -3  11 o 41.73609 8.053325  400.1635       145.4506 497.2638       
219.8944 324.6334       193.9385 45.96961 11.42833 37.50257 11.34977 8.467041 
16.10665 
1 1 1 21  -3  12 o 62.08017 6.051803  837.0369       156.4516 998.0157       
236.7142 712.1723       208.4777 67.36886 8.369243 56.79149 8.743744 10.57737 
12.10361 
1 1 1 21  -3  13 o 29.27646 7.605013  159.0346       124.2966 97.17149       
168.9050 232.1094       183.5738 26.01277 10.34662 32.54016 11.14865 -6.527386 
15.21003 
1 1 1 21  -3  14 o 40.84355 7.900454  396.9346       132.6976 397.7653       
159.2977 395.0511       239.8520 41.30278 9.395656 40.38432 12.70395 0.9184532 
15.80091 
1 1 1 21  -3  15 o 34.31300 8.347509  223.3474       158.1392 45.00579       
210.6467 453.6700       239.3848 25.89375 11.02644 42.73226 12.53560 -16.83851 
16.69502 
1 1 1 21  -3  16 o 44.56351 8.790166  505.3652       171.6732 448.9411       
249.4314 556.1501       236.6386 41.98955 12.90474 47.13747 11.93883 -5.147923 
17.58033 
1 1 1 21  -3  17 o 38.88498 8.703805  385.6447       159.4336 404.3884       
215.7137 363.0785       236.6898 39.90482 11.94861 37.86515 12.65921 2.039665 
17.40761 
1 1 1 21  -3  18 o 43.94273 8.259406  462.5052       160.8883 754.2592       
256.5256 273.3270       206.5656 54.44979 11.56987 33.43567 11.79022 21.01413 
16.51881 
1 1 1 21  -3  19 o 25.71101 7.910657  44.96146       156.6235 99.67340       
247.9592 8.641315       202.0287 27.86198 11.91690 23.56005 10.40680 4.301933 
15.82131 
1 1 1 21  -3  20 o 30.67046 9.090814  189.7063       186.6678 132.8229       
360.3973 210.5614       218.2201 31.10076 13.79775 30.24015 11.84035 0.8606167 
18.18163 
1 1 1 21  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -3  22 o 29.85262 8.695209  208.0024       188.6862 -90.17470      
368.3040 314.1128       219.7092 26.39565 12.47356 33.30959 12.11763 -6.913944 
17.39042 
1 1 1 21  -3  23 o 23.83548 8.038176  -116.6545      215.5003 -164.2664      
370.4926 -92.30952      264.9269 24.93879 12.00562 22.73218 10.69178 2.206610 
16.07635 
1 1 1 21  -3  24 o 29.27591 8.855031  206.6936       197.7268 63.94436       
267.8480 377.6427       293.1127 25.24668 11.48754 33.30515 13.47897 -8.058466 
17.71006 
1 1 1 21  -3  25 o 25.06252 8.065488  90.90937       191.4102 197.3291       
251.8982 -54.49482      294.4438 27.10157 11.80759 23.02347 10.99042 4.078106 
16.13098 
1 1 1 21  -3  26 o 35.79476 9.598190  553.9250       205.1835 374.5496       
276.0845 775.2385       306.6653 30.05021 12.70241 41.53931 14.39270 -11.48910 
19.19638 
1 1 1 21  -2  0  o 52.13504 5.505115  574.7431       116.2362 552.1580       
145.0599 615.2585       194.2885 50.85975 6.793512 53.41033 8.664487 -2.550583 
11.01023 
1 1 1 21  -2  1  o 138.6874 5.431684  4073.268       312.0262 4427.213       
490.1873 3832.158       404.5774 143.5133 8.135626 133.8615 7.198915 9.651825 
10.86337 
1 1 1 21  -2  2  o 37.31144 7.259512  299.9152       129.8522 105.8589       
183.1851 495.9057       184.0957 27.61061 10.84019 47.01228 9.658796 -19.40166 
14.51902 
1 1 1 21  -2  3  o 155.2565 6.053695  5130.496       376.6206 4979.171       
464.7630 5419.924       642.7562 152.5390 7.257243 157.9739 9.691300 -5.434875 
12.10739 
1 1 1 21  -2  4  o 43.69868 7.024954  415.8031       137.5345 174.5483       
188.1579 692.5866       201.5369 30.71954 11.21008 56.67781 8.469594 -25.95828 
14.04991 
1 1 1 21  -2  5  o 137.3564 4.750301  4038.203       273.3569 3828.288       
392.0357 4236.838       381.3555 133.7808 6.979958 140.9319 6.445278 -7.151108 
9.500602 
1 1 1 21  -2  6  o 87.24815 5.312376  1638.802       191.2789 1658.109       
249.6311 1611.345       297.6884 88.06082 6.752071 86.43548 8.203345 1.625343 
10.62475 
1 1 1 21  -2  7  o 44.54819 6.988386  435.8171       124.3374 516.8498       
203.8662 387.8220       156.8966 47.64383 10.47588 41.45254 9.252351 6.191288 
13.97677 
1 1 1 21  -2  8  o 68.96014 5.610684  1015.639       161.5145 1166.788       
243.1530 896.2849       216.0699 73.51432 7.878231 64.40595 7.990783 9.108368 
11.22137 
1 1 1 21  -2  9  o 69.05824 6.281606  994.1857       178.0586 1299.938       
289.8961 808.9589       225.6367 77.19135 8.945299 60.92515 8.821334 16.26620 
12.56321 
1 1 1 21  -2  10 o 36.02812 8.170691  272.7157       141.7791 394.4776       
218.3871 184.0085       186.4021 41.25627 11.93184 30.79997 11.16566 10.45630 
16.34138 
1 1 1 21  -2  11 o 78.27435 5.364444  1333.774       175.3763 1245.752       
255.4114 1412.297       241.2344 75.66840 8.039828 80.88030 7.104239 -5.211899 
10.72889 
1 1 1 21  -2  12 o 52.43652 7.105501  627.5684       152.2108 566.6978       
223.5519 680.1756       207.8248 49.28102 11.07537 55.59201 8.904428 -6.310993 
14.21100 
1 1 1 21  -2  13 o 83.05476 5.508232  1502.901       191.6458 1371.044       
264.6521 1648.277       277.8884 79.16117 7.963137 86.94835 7.612549 -7.787178 
11.01646 
1 1 1 21  -2  14 o 62.61227 5.638779  861.8105       146.3199 1044.541       
211.7517 694.8328       202.4189 69.19955 7.288611 56.02500 8.605780 13.17455 
11.27756 
1 1 1 21  -2  15 o 42.45499 7.978186  399.5473       151.2680 221.2050       
195.9165 662.8043       238.0313 32.14208 11.46728 52.76789 11.09537 -20.62580 
15.95637 
1 1 1 21  -2  16 o 61.29454 7.703466  877.8251       191.5186 940.1852       
298.1405 834.0135       249.8975 62.25594 11.83393 60.33313 9.865680 1.922806 
15.40693 
1 1 1 21  -2  17 o 29.22882 7.888608  -80.80997      162.8431 446.2776       
267.8127 -390.0016      205.1180 41.73640 13.45718 16.72124 8.235582 25.01516 
15.77722 
1 1 1 21  -2  18 o 30.68914 8.541710  129.0908       161.9214 350.7816       
271.1780 6.256006       201.8558 37.44592 13.47806 23.93237 10.49691 13.51355 
17.08342 
1 1 1 21  -2  19 o 23.07493 7.375076  -53.77828      155.4386 -176.2310      
247.1269 26.37774       199.9419 21.97461 10.33281 24.17526 10.52615 -2.200649 
14.75015 
1 1 1 21  -2  20 o 57.18781 7.560316  809.8715       172.7585 853.6257       
279.7129 782.8874       219.6630 56.94027 12.06851 57.43536 9.109586 
-0.4950981     15.12063 
1 1 1 21  -2  21 o 24.23102 7.539234  -37.87733      165.2269 -315.6035      
252.5988 169.8107       218.4381 19.72288 9.592233 28.73916 11.63397 -9.016279 
15.07847 
1 1 1 21  -2  22 o 46.70093 10.91609  718.1736       243.5334 783.6626       
412.3758 683.1017       301.7791 46.42252 16.62938 46.97934 14.14593 
-0.5568161     21.83217 
1 1 1 21  -2  23 o 27.56773 8.853331  64.82077       226.1405 -75.77152      
369.7471 148.8401       285.8339 26.52312 12.52032 28.61234 12.52068 -2.089226 
17.70666 
1 1 1 21  -2  24 o 33.98360 9.831738  373.0704       222.6075 453.1333       
328.6766 305.2209       302.5705 35.96434 14.38937 32.00286 13.40143 3.961475 
19.66348 
1 1 1 21  -2  25 o 26.11505 8.301457  108.8873       192.0309 165.1064       
255.3965 35.76488       291.2716 27.13778 11.85567 25.09231 11.62325 2.045469 
16.60291 
1 1 1 21  -2  26 o 28.55403 8.793969  248.2102       196.4625 145.0036       
258.6178 389.0418       302.1029 25.59026 11.50459 31.51780 13.30339 -5.927538 
17.58794 
1 1 1 21  -2  27 o 31.69506 9.498401  428.2050       238.4126 93.19567       
325.4966 815.9696       350.1886 24.25200 11.57176 39.13812 15.06562 -14.88612 
18.99680 
1 1 1 21  -1  0  o 109.6187 4.215632  2590.749       189.1424 2751.945       
246.5031 2359.978       294.9426 113.9910 5.150777 105.2463 6.675006 8.744743 
8.431264 
1 1 1 21  -1  1  f 23.97736 7.238104  5.046222       128.9252 -6.891526      
180.3987 17.50858       184.3200 23.45857 10.10274 24.49616 10.36799 -1.037590 
14.47621 
1 1 1 21  -1  2  o 54.19556 6.182491  640.1092       137.0986 713.8085       
197.3701 571.3925       190.5815 57.68281 8.149970 50.70832 9.298965 6.974487 
12.36498 
1 1 1 21  -1  3  o 61.44171 5.629607  804.4966       144.5922 708.0416       
197.0525 917.0116       212.8259 57.44097 8.171112 65.44246 7.746150 -8.001492 
11.25921 
1 1 1 21  -1  4  o 114.5713 4.504881  2787.152       216.3851 2914.043       
316.4500 2675.719       296.5482 116.9972 6.442448 112.1454 6.298468 4.851776 
9.009763 
1 1 1 21  -1  5  o 141.3145 4.940024  4263.665       292.9190 4255.104       
407.2910 4272.836       421.5785 141.2068 6.870211 141.4221 7.100390 
-0.2152710     9.880048 
1 1 1 21  -1  6  o 97.29253 4.895162  2023.093       199.6050 2041.998       
275.1015 2002.075       290.0602 97.82646 6.698194 96.75861 7.140353 1.067856 
9.790324 
1 1 1 21  -1  7  o 19.75098 6.424266  -201.6353      129.7843 -4.144845      
188.3773 -380.0778      179.0624 23.97578 10.32459 15.52619 7.647719 8.449591 
12.84853 
1 1 1 21  -1  8  o 74.16206 5.564012  1187.663       172.5021 1071.890       
245.2000 1301.115       242.7283 70.47155 8.287580 77.85258 7.426230 -7.381035 
11.12802 
1 1 1 21  -1  9  o 77.79218 5.545088  1311.242       178.5814 1261.864       
273.2427 1348.061       235.9468 76.32013 8.527673 79.26422 7.090190 -2.944092 
11.09018 
1 1 1 21  -1  10 o 36.02057 7.593136  274.6404       144.2747 18.72736       
215.6985 481.8258       194.0799 26.12139 11.14168 45.91976 10.31920 -19.79837 
15.18627 
1 1 1 21  -1  11 o 112.4003 5.318541  2675.138       241.7526 2931.250       
407.2856 2535.816       300.3950 116.0982 8.355924 108.7024 6.582253 7.395821 
10.63708 
1 1 1 21  -1  12 o 40.58928 7.614257  390.7726       144.1640 167.1429       
216.3592 569.3396       193.3353 31.07315 11.87460 50.10541 9.534229 -19.03226 
15.22851 
1 1 1 21  -1  13 f 63.49019 5.617659  832.2833       141.5564 1022.851       
253.5933 746.0281       170.6105 68.20798 8.855714 58.77240 6.914384 9.435585 
11.23532 
1 1 1 21  -1  14 o 90.19811 5.056741  1766.529       191.1544 1894.889       
271.6185 1640.569       269.0658 93.54172 6.916319 86.85451 7.378825 6.687210 
10.11348 
1 1 1 21  -1  15 o 90.31557 4.919841  1766.071       186.1486 1662.530       
253.3789 1887.488       274.3814 87.47709 6.899176 93.15405 7.015749 -5.676964 
9.839683 
1 1 1 21  -1  16 o 57.84515 7.067218  773.4555       166.7062 701.8250       
240.3417 839.8708       231.4272 54.46069 10.89648 61.22962 9.002723 -6.768932 
14.13444 
1 1 1 21  -1  17 o 38.48175 9.011962  350.4412       166.3188 410.8007       
267.4017 312.3575       212.4034 40.71350 13.45547 36.24999 11.99217 4.463516 
18.02392 
1 1 1 21  -1  18 o 26.07167 8.050121  12.67751       160.3706 76.69485       
267.8610 -23.09082      200.2212 28.93146 12.38049 23.21189 10.29278 5.719576 
16.10024 
1 1 1 21  -1  19 o 37.89138 8.274531  371.8490       161.2604 139.1420       
258.3498 520.3903       206.4082 30.01698 12.46439 45.76579 10.88625 -15.74881 
16.54906 
1 1 1 21  -1  20 o 44.10941 8.817739  490.8661       183.2949 792.1605       
277.4210 257.4406       244.1845 55.08183 12.30917 33.13700 12.62911 21.94484 
17.63548 
1 1 1 21  -1  21 o 61.73660 7.871437  958.1799       198.7036 819.1912       
268.8047 1125.627       295.0431 55.88120 11.82112 67.59200 10.39707 -11.71081 
15.74287 
1 1 1 21  -1  22 o 37.74242 9.167681  392.8692       182.5507 248.6569       
252.5783 550.5876       264.1411 31.91589 12.66571 43.56895 13.25765 -11.65306 
18.33536 
1 1 1 21  -1  23 o 32.54372 9.823103  211.8189       235.3686 472.4728       
377.6152 46.21515       300.9902 37.93152 15.32057 27.15593 12.29851 10.77560 
19.64621 
1 1 1 21  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  -1  25 o 35.08231 9.824746  417.5263       216.1689 497.6144       
313.3658 344.8139       298.5875 37.28390 14.27838 32.88073 13.49928 4.403168 
19.64949 
1 1 1 21  -1  26 o 23.16040 7.651466  -45.53641      189.7189 -218.3865      
275.5331 110.2909       261.6138 20.61969 10.02520 25.70111 11.56180 -5.081417 
15.30293 
1 1 1 21  -1  27 o 25.52120 8.253079  150.5480       195.8663 130.9034       
321.0396 162.1956       247.2047 25.60976 11.98876 25.43264 11.34561 0.1771240 
16.50616 
1 1 1 21  -1  28 o 30.22700 8.968111  417.3433       212.9486 189.4594       
383.2077 519.1539       256.1379 25.73303 12.34440 34.72096 13.01245 -8.987930 
17.93622 
1 1 1 21  0   0  o 45.25192 7.208582  456.3219       133.9053 548.1200       
197.2425 377.8436       182.3720 49.55557 9.829870 40.94827 10.54648 8.607300 
14.41716 
1 1 1 21  0   1  o 128.2666 5.079306  3417.546       264.6843 3866.536       
443.7351 3169.561       329.7758 134.4358 7.861943 122.0975 6.433290 12.33833 
10.15861 
1 1 1 21  0   2  o 102.9499 4.686922  2298.777       198.5405 1908.137       
293.2011 2629.580       269.8123 94.54812 7.386417 111.3517 5.771464 -16.80357 
9.373844 
1 1 1 21  0   3  o 35.60875 6.832894  293.0339       117.6333 75.86415       
185.4338 439.2813       152.1715 26.65318 10.74810 44.56432 8.439917 -17.91114 
13.66579 
1 1 1 21  0   4  o 58.79874 5.405982  749.3472       129.8329 689.5029       
204.1611 789.9822       168.2332 56.66260 8.582179 60.93488 6.576074 -4.272278 
10.81196 
1 1 1 21  0   5  o 28.56595 7.666524  116.8010       131.9089 21.05832       
188.7667 208.1697       184.4044 24.89834 10.51297 32.23355 11.16154 -7.335211 
15.33305 
1 1 1 21  0   6  o 57.42069 6.625648  717.5106       155.6148 816.5507       
229.1655 632.7660       211.9826 61.57050 8.865387 53.27087 9.848946 8.299629 
13.25130 
1 1 1 21  0   7  o 95.63271 4.870188  1952.551       195.1334 1796.221       
274.0772 2113.252       277.8827 91.69549 7.119444 99.56992 6.647439 -7.874435 
9.740376 
1 1 1 21  0   8  o 61.47528 6.059942  813.6628       155.7573 828.7548       
231.8716 801.2531       210.2590 61.92630 8.918535 61.02427 8.206786 0.9020233 
12.11988 
1 1 1 21  0   9  o 152.6847 5.777747  4852.421       337.0204 5442.388       
637.8336 4623.913       396.9587 158.1515 9.606278 147.2179 6.422526 10.93361 
11.55549 
1 1 1 21  0   10 o 55.65598 7.068398  666.2430       159.3577 875.4460       
250.0641 523.1873       206.7855 63.39038 9.396131 47.92158 10.56228 15.46880 
14.13680 
1 1 1 21  0   11 o 37.66278 8.299389  296.4224       149.8885 455.5419       
228.2292 175.7393       198.7616 44.34249 11.97705 30.98307 11.49216 13.35942 
16.59878 
1 1 1 21  0   12 o 72.22884 5.693819  1123.237       171.9592 1271.028       
254.7576 999.5460       233.0621 76.59937 7.921786 67.85831 8.180684 8.741058 
11.38764 
1 1 1 21  0   13 o 84.82310 5.380592  1552.981       190.7039 1502.148       
255.8469 1616.533       286.0687 83.36868 7.309679 86.27753 7.897575 -2.908844 
10.76118 
1 1 1 21  0   14 o 22.67655 7.006757  -61.60662      133.8974 74.23425       
188.6760 -199.4337      190.0504 26.31553 10.75510 19.03758 8.983675 7.277948 
14.01351 
1 1 1 21  0   15 o 34.80952 8.070507  269.8856       136.9961 224.5955       
190.0004 318.9274       197.7132 32.47903 11.32163 37.14000 11.50448 -4.660976 
16.14101 
1 1 1 21  0   16 o 87.03331 6.351444  1746.377       222.1119 2120.224       
299.8584 1291.902       330.6168 98.60199 7.243553 75.46463 10.43524 23.13736 
12.70289 
1 1 1 21  0   17 o 32.92350 8.823938  206.3999       162.7932 269.9169       
269.7881 170.0309       204.1473 35.67268 13.35753 30.17431 11.53360 5.498369 
17.64788 
1 1 1 21  0   18 o 57.41423 7.646682  766.9509       179.2425 977.7988       
271.0220 603.0286       238.9675 65.23186 9.896143 49.59660 11.65990 15.63526 
15.29336 
1 1 1 21  0   19 o 31.70768 8.882540  186.3569       177.2788 123.1273       
247.3813 253.1081       254.1770 29.46227 12.21318 33.95309 12.90102 -4.490812 
17.76508 
1 1 1 21  0   20 o 31.42703 8.614942  199.5572       170.0772 300.1844       
222.9739 59.55661       263.0035 34.95282 12.25702 27.90125 12.10926 7.051567 
17.22988 
1 1 1 21  0   21 o 25.69865 8.011065  -37.55464      180.5158 -259.7732      
260.1517 168.7888       250.6870 21.21160 10.17437 30.18571 12.37703 -8.974106 
16.02213 
1 1 1 21  0   22 o 80.93437 6.747873  1529.991       225.3433 1967.673       
355.9789 1237.327       291.0916 90.46355 9.372850 71.40518 9.710039 19.05837 
13.49575 
1 1 1 21  0   23 o 33.52343 8.951580  265.2294       191.6870 22.16030       
276.4686 490.2503       266.0066 26.27790 11.84981 40.76895 13.42033 -14.49104 
17.90316 
1 1 1 21  0   24 o 23.21081 7.668772  -93.05339      186.9278 -140.0097      
274.6309 -52.52120      255.1540 22.81413 10.77639 23.60750 10.91373 
-0.7933731     15.33754 
1 1 1 21  0   25 o 73.40664 8.752250  1541.891       261.1401 1546.320       
392.4204 1538.372       349.8505 71.50023 13.56405 75.31305 11.06454 -3.812820 
17.50450 
1 1 1 21  0   26 o 36.29890 9.573857  223.9373       205.8756 1015.909       
388.4165 -85.49036      242.7854 50.85849 16.18722 21.73931 10.22785 29.11918 
19.14771 
1 1 1 21  0   27 o 34.09379 8.759371  396.9468       201.6288 -1.907728      
321.3906 655.8178       258.9212 24.58573 11.63419 43.60185 13.09778 -19.01612 
17.51874 
1 1 1 21  0   28 o 22.78240 7.665184  12.97935       196.6677 9.827657       
325.4583 14.79216       246.8305 23.51350 11.30305 22.05130 10.35670 1.462206 
15.33037 
1 1 1 21  1   0  o 54.62865 5.353036  610.9376       120.1958 789.7381       
194.8540 501.1155       152.7109 60.80663 7.632725 48.45068 7.507429 12.35594 
10.70607 
1 1 1 21  1   1  o 138.5304 5.363392  4093.307       311.6729 4335.761       
447.6958 3865.293       434.1598 142.5387 7.481201 134.5220 7.687363 8.016708 
10.72678 
1 1 1 21  1   2  o 58.74067 5.742048  739.0721       141.3512 725.5947       
205.0179 751.2831       195.1486 58.19173 8.391729 59.28960 7.839855 -1.097866 
11.48410 
1 1 1 21  1   3  o 61.21765 5.546677  792.1471       140.2057 1015.479       
209.6325 611.3932       188.5935 69.02159 7.234271 53.41371 8.409984 15.60788 
11.09335 
1 1 1 21  1   4  o 33.96495 7.729379  241.8625       130.0579 142.0159       
190.1644 329.6098       178.2706 29.54052 11.17803 38.38938 10.67824 -8.848862 
15.45876 
1 1 1 21  1   5  o 92.57916 5.275419  1817.976       203.8146 2121.026       
300.2124 1558.878       277.5898 99.75037 7.168613 85.40795 7.741521 14.34242 
10.55084 
1 1 1 21  1   6  o 72.88113 5.496669  1140.055       167.4407 1196.632       
230.1628 1076.450       244.0398 74.88454 7.320893 70.87771 8.201098 4.006836 
10.99334 
1 1 1 21  1   7  o 31.30566 7.687868  163.6024       132.6632 317.8655       
194.6877 29.88560       181.2594 37.86494 11.35410 24.74639 10.36811 13.11856 
15.37574 
1 1 1 21  1   8  o 26.79643 7.735897  67.48244       137.6064 32.41724       
208.2987 94.63586       183.2993 26.36994 11.08446 27.22293 10.79403 
-0.8529873     15.47179 
1 1 1 21  1   9  o 61.95518 6.057046  814.9621       155.0746 894.4274       
246.0137 762.5696       199.7583 64.31959 9.110392 59.59077 7.984485 4.728821 
12.11409 
1 1 1 21  1   10 o 116.6840 5.287610  2924.963       258.4144 3006.748       
356.6891 2834.616       374.8966 118.5038 7.169334 114.8643 7.774055 3.639503 
10.57522 
1 1 1 21  1   11 o 65.74005 6.268626  984.4792       161.1453 751.5472       
243.8622 1165.033       214.7008 57.72808 10.44524 73.75203 6.933949 -16.02395 
12.53725 
1 1 1 21  1   12 o 129.9343 4.905387  3551.624       262.0142 3969.231       
424.0498 3293.730       333.2377 135.7778 7.438909 124.0908 6.396400 11.68695 
9.810775 
1 1 1 21  1   13 o 84.80376 5.069368  1547.598       180.2551 1520.377       
247.8322 1578.171       262.6510 84.05648 7.022758 85.55103 7.312651 -1.494545 
10.13874 
1 1 1 21  1   14 o 36.46590 8.171411  300.0964       140.1239 303.4989       
196.2231 296.5559       200.1659 36.60986 11.48542 36.32196 11.62639 0.2878990 
16.34282 
1 1 1 21  1   15 o 48.75062 7.729039  552.0762       154.6166 631.5131       
223.1626 478.7406       214.4212 52.32479 10.52860 45.17645 11.31816 7.148342 
15.45808 
1 1 1 21  1   16 o 102.4823 4.924447  2260.794       210.7128 2424.196       
318.7175 2133.915       280.8477 105.6443 7.185894 99.32032 6.735253 6.324005 
9.848893 
1 1 1 21  1   17 o 28.64454 8.199062  105.0964       155.4166 167.1518       
216.8094 39.50439       222.9018 30.65675 11.84317 26.63232 11.34186 4.024431 
16.39812 
1 1 1 21  1   18 f 100.0501 6.793596  2272.369       284.3918 2315.970       
389.4685 2222.565       416.2469 101.4269 9.146195 98.67332 10.04783 2.753532 
13.58719 
1 1 1 21  1   19 o 32.54625 8.943795  197.3831       179.2554 293.9394       
253.9108 101.4410       253.1019 35.81602 13.02697 29.27649 12.25822 6.539536 
17.88759 
1 1 1 21  1   20 o 39.07649 9.285322  379.6721       189.4113 529.8572       
263.0151 217.8677       272.9998 45.09908 13.11094 33.05391 13.15189 12.04517 
18.57064 
1 1 1 21  1   21 o 31.96137 8.512154  139.4563       180.9684 451.7399       
261.3071 -148.3746      250.8681 41.17108 13.29451 22.75166 10.63405 18.41942 
17.02431 
1 1 1 21  1   22 o 21.46782 7.215288  -212.0468      178.0720 -180.8841      
246.3581 -246.1417      257.6875 21.70756 10.23912 21.22808 10.16868 0.4794865 
14.43058 
1 1 1 21  1   23 o 24.05496 7.779329  -91.54069      182.5531 84.76232       
256.8575 -271.4915      259.5011 27.41839 11.93432 20.69153 9.982176 6.726856 
15.55866 
1 1 1 21  1   24 o 60.81140 9.032827  1040.198       223.7780 900.5948       
314.2748 1183.771       318.7115 55.44563 13.58839 66.17717 11.90477 -10.73154 
18.06565 
1 1 1 21  1   25 o 23.42333 7.778001  -99.96648      195.2607 -139.0097      
276.0934 -60.89671      276.1872 22.76758 10.77825 24.07907 11.21689 -1.311493 
15.55600 
1 1 1 21  1   26 o 27.83031 8.912319  117.7921       210.5853 90.96120       
397.4407 128.2650       248.3056 28.85222 13.44631 26.80841 11.70104 2.043808 
17.82464 
1 1 1 21  1   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  1   28 o 24.27414 8.051153  -28.71929      199.2776 296.8309       
328.3630 -218.5295      250.7293 29.28626 13.07008 19.26202 9.405176 10.02424 
16.10231 
1 1 1 21  1   29 o 22.09225 7.509037  -20.86261      203.4111 -65.01580      
302.7923 15.45204       274.6027 21.81937 10.57733 22.36513 10.66127 
-0.5457649     15.01807 
1 1 1 21  2   0  o 88.31071 4.505336  1660.740       166.5782 1772.631       
233.1974 1544.162       238.0313 91.40247 6.076968 85.21895 6.653021 6.183517 
9.010673 
1 1 1 21  2   1  o 147.6262 5.129014  4671.309       313.9494 4837.784       
417.2209 4454.003       476.6791 150.8694 6.586973 144.3830 7.863773 6.486389 
10.25803 
1 1 1 21  2   2  o 98.11975 4.242826  2046.860       174.1382 1972.317       
254.5952 2112.391       238.7088 96.38718 6.291469 99.85232 5.694182 -3.465141 
8.485652 
1 1 1 21  2   3  o 124.5785 5.077244  3243.311       260.2345 3012.644       
331.5757 3613.303       419.9392 119.0523 6.633856 130.1048 7.688015 -11.05254 
10.15449 
1 1 1 21  2   4  o 114.3909 4.751767  2758.385       223.1309 2671.960       
284.9803 2895.302       358.6967 112.2343 6.047979 116.5476 7.330697 -4.313232 
9.503534 
1 1 1 21  2   5  o 116.4960 4.999134  2899.771       242.8365 3306.116       
345.1004 2501.232       341.7691 124.7163 6.590878 108.2757 7.518356 16.44060 
9.998267 
1 1 1 21  2   6  o 57.23686 6.204498  716.1034       143.2464 567.3022       
199.5984 874.1437       205.7016 50.49166 9.764335 63.98206 7.657738 -13.49040 
12.40900 
1 1 1 21  2   7  o 31.90216 7.567387  205.5903       118.3194 180.0431       
154.7708 241.5185       183.5417 29.93194 10.23673 33.87239 11.14767 -3.940451 
15.13477 
1 1 1 21  2   8  o 121.3617 4.676507  3140.869       236.4061 3192.428       
316.7310 3076.014       355.2285 122.5984 6.153564 120.1249 7.043617 2.473503 
9.353015 
1 1 1 21  2   9  o 65.92897 6.004743  930.7072       164.3583 754.8977       
224.9999 1131.850       240.6655 59.17154 9.057130 72.68640 7.886455 -13.51487 
12.00949 
1 1 1 21  2   10 o 26.99049 7.819973  65.93918       140.5344 65.35353       
212.6111 66.39359       187.2813 27.65004 11.37808 26.33093 10.73066 1.319109 
15.63995 
1 1 1 21  2   11 o 103.5034 4.590751  2239.935       191.4016 2445.885       
325.4325 2131.017       236.6620 106.8623 7.253664 100.1446 5.628882 6.717705 
9.181501 
1 1 1 21  2   12 o 74.98849 5.384233  1215.094       168.5143 1140.433       
247.0273 1280.080       230.4643 72.70741 8.092586 77.26958 7.104217 -4.562172 
10.76847 
1 1 1 21  2   13 o 34.95526 7.898785  252.2591       139.8342 109.9527       
196.1001 399.4739       199.4533 28.22396 11.17289 41.68657 11.16825 -13.46261 
15.79757 
1 1 1 21  2   14 o 36.02524 7.670743  281.6003       124.5571 368.7523       
196.5620 223.1232       161.0103 40.00623 11.24037 32.04425 10.44104 7.961979 
15.34149 
1 1 1 21  2   15 o 93.96528 5.033677  1862.157       194.1945 1708.890       
246.0782 2115.187       316.1796 89.15004 6.574651 98.78052 7.624013 -9.630478 
10.06735 
1 1 1 21  2   16 o 31.94841 8.403915  188.3100       154.2891 105.4454       
222.3612 265.2464       214.2597 28.94741 11.72986 34.94941 12.03800 -6.001991 
16.80783 
1 1 1 21  2   17 o 114.4853 6.276207  2890.299       299.8638 2806.531       
400.4971 2997.171       452.3678 112.8802 8.450891 116.0904 9.281463 -3.210175 
12.55241 
1 1 1 21  2   18 o 68.12679 7.437624  1059.076       202.7542 789.4269       
273.7899 1386.536       301.7152 57.50159 11.74726 78.75199 9.125500 -21.25040 
14.87525 
1 1 1 21  2   19 o 57.53320 8.197009  783.9960       194.2302 558.7286       
263.2290 1053.235       287.7752 47.28498 12.90344 67.78141 10.11262 -20.49643 
16.39402 
1 1 1 21  2   20 o 91.84322 6.400961  1957.877       234.9066 2065.946       
296.8960 1776.984       384.1187 96.54534 7.324772 87.14111 10.49938 9.404236 
12.80192 
1 1 1 21  2   21 o 34.65851 9.296993  275.1224       186.6699 304.5178       
257.7016 242.6713       270.7649 35.65635 13.10863 33.66068 13.18712 1.995674 
18.59399 
1 1 1 21  2   22 o 30.00989 8.576920  106.1139       184.8795 340.3889       
260.6114 -131.2345      262.3152 36.49247 13.20513 23.52732 10.94892 12.96515 
17.15384 
1 1 1 21  2   23 o 31.24097 8.942890  188.4108       188.1124 320.6259       
266.5567 57.23323       265.5086 35.17720 13.25646 27.30475 12.00697 7.872444 
17.88578 
1 1 1 21  2   24 o 52.66311 9.278549  787.5710       205.1516 858.8643       
286.3797 712.4191       294.0279 55.93468 12.51095 49.39153 13.70555 6.543152 
18.55710 
1 1 1 21  2   25 o 37.84820 8.941268  371.8437       202.6020 6.287456       
287.0278 734.8369       286.0198 25.98653 11.84224 49.70987 13.39949 -23.72333 
17.88254 
1 1 1 21  2   26 o 36.67291 8.848042  381.4789       189.3697 660.0671       
265.9299 94.87407       269.7289 46.49414 13.07771 26.85168 11.92161 19.64247 
17.69608 
1 1 1 21  2   27 o 33.29632 9.987767  205.2853       223.6182 810.9049       
431.1450 -17.58678      261.5479 42.84300 16.66986 23.74964 11.00625 19.09336 
19.97553 
1 1 1 21  2   28 o 25.82062 11.81383  92.73097       289.9760 0.000000       
0.000000 92.73097       289.9760 ?        ?        25.82062 11.81383 ? ? 
1 1 1 21  2   29 o 25.51152 8.321568  135.1455       206.7794 34.48131       
276.2778 263.3539       311.7932 23.24773 10.92965 27.77532 12.55136 -4.527586 
16.64314 
1 1 1 21  2   30 o 21.76947 7.425832  -31.69081      202.6046 -47.93422      
278.9455 -13.55333      294.7603 21.37766 10.32210 22.16129 10.67830 
-0.7836266     14.85166 
1 1 1 21  3   0  o 86.08475 5.078110  1593.474       181.4306 1708.190       
244.8401 1453.770       270.1924 89.66616 6.503919 82.50335 7.800503 7.162811 
10.15622 
1 1 1 21  3   1  o 132.4221 4.856713  3597.189       253.5352 4116.337       
455.5305 3364.198       305.1701 138.8403 7.814893 126.0039 5.768716 12.83644 
9.713426 
1 1 1 21  3   2  o 129.2171 5.735060  3565.021       310.4706 3500.892       
423.9231 3639.212       455.9697 128.0291 7.886775 130.4052 8.328412 -2.376068 
11.47012 
1 1 1 21  3   3  f 21.44378 6.673919  -81.52184      123.5798 -224.2084      
178.8908 48.72980       170.9182 18.02854 8.596645 24.85901 10.21090 -6.830477 
13.34784 
1 1 1 21  3   4  o 70.82047 4.921584  1080.751       142.9245 996.6708       
222.5699 1139.754       186.4457 68.33144 7.758306 73.30949 6.057775 -4.978043 
9.843167 
1 1 1 21  3   5  o 84.81812 4.583615  1508.128       161.7406 1674.301       
250.0405 1388.572       212.0881 88.74750 6.710816 80.88873 6.245243 7.858772 
9.167231 
1 1 1 21  3   6  o 100.0526 4.742896  2119.300       198.3047 2218.227       
297.6085 2040.303       265.9455 102.0984 6.943005 98.00671 6.463352 4.091690 
9.485791 
1 1 1 21  3   7  o 88.05724 4.484783  1571.404       156.4292 1873.916       
280.4222 1434.742       188.4797 93.79568 7.121159 82.31879 5.453643 11.47689 
8.969566 
1 1 1 21  3   8  o 102.3887 5.371414  2204.318       228.5392 2477.126       
355.5000 2012.156       298.3626 107.6430 7.866380 97.13445 7.316311 10.50854 
10.74283 
1 1 1 21  3   9  o 45.58401 7.758365  450.4478       152.2276 700.6743       
230.8890 258.0381       202.4651 56.07647 10.18262 35.09155 11.70825 20.98492 
15.51673 
1 1 1 21  3   10 o 79.28461 5.401371  1380.303       174.8049 1123.950       
262.6462 1584.157       234.2127 72.28876 8.654089 86.28046 6.465753 -13.99170 
10.80274 
1 1 1 21  3   11 o 65.69855 5.907156  907.1199       160.4584 1164.075       
246.9067 719.2565       211.1181 73.63597 7.986636 57.76114 8.705839 15.87483 
11.81431 
1 1 1 21  3   12 o 113.2283 5.544753  2755.059       263.4346 2739.684       
366.0574 2771.576       379.4067 112.9413 7.720001 113.5153 7.961074 
-0.5739746     11.08951 
1 1 1 21  3   13 o 100.9797 5.637190  2191.437       238.2708 2108.632       
322.4609 2291.020       353.6224 98.95549 7.761724 103.0039 8.177243 -4.048454 
11.27438 
1 1 1 21  3   14 o 78.01320 5.470885  1310.639       178.4551 1278.828       
240.5376 1349.584       266.1487 77.04523 7.436324 78.98116 8.026420 -1.935928 
10.94177 
1 1 1 21  3   15 o 47.82407 7.772238  546.6469       161.4490 299.3160       
241.3518 746.9541       217.1999 37.18759 12.77957 58.46055 8.849481 -21.27296 
15.54448 
1 1 1 21  3   16 o 69.24539 6.219311  1033.513       177.2383 782.3377       
236.1149 1357.724       268.2556 59.54028 9.445689 78.95052 8.093101 -19.41024 
12.43862 
1 1 1 21  3   17 o 27.09644 7.843477  80.44003       142.6618 132.0014       
180.2260 -6.079244      233.4596 28.09855 10.80967 26.09433 11.36800 2.004217 
15.68695 
1 1 1 21  3   18 o 70.53876 6.795124  1119.675       198.4748 1157.944       
263.3388 1069.350       301.9846 72.34916 8.669668 68.72836 10.46574 3.620796 
13.59025 
1 1 1 21  3   19 o 70.98923 7.937013  1190.041       227.5300 1046.875       
334.4917 1313.333       310.4084 65.75634 12.56559 76.22211 9.700039 -10.46577 
15.87403 
1 1 1 21  3   20 o 83.42611 6.569886  1541.054       227.2426 1309.236       
295.4745 1876.694       355.5352 75.95347 9.266025 90.89875 9.316351 -14.94528 
13.13977 
1 1 1 21  3   21 o 57.83099 9.084887  841.8868       214.8329 993.4886       
320.3086 717.9258       289.6403 62.87535 12.57854 52.78663 13.11187 10.08872 
18.16977 
1 1 1 21  3   22 o 26.27017 8.218487  5.703035       179.7832 58.23262       
249.7076 -50.83224      259.0535 27.38070 11.84002 25.15964 11.40123 2.221054 
16.43697 
1 1 1 21  3   23 o 49.78420 9.366777  676.4518       200.1353 607.3351       
280.9676 747.6398       285.1467 46.85976 13.52785 52.70864 12.95929 -5.848888 
18.73355 
1 1 1 21  3   24 o 38.45223 8.640218  330.5788       170.0521 696.5420       
277.7721 111.1986       215.0644 49.98096 13.08451 26.92351 11.28756 23.05745 
17.28044 
1 1 1 21  3   25 o 20.47578 6.996366  -315.1651      188.9243 -554.8281      
284.4668 -126.0354      252.7034 18.50049 9.211947 22.45108 10.53264 -3.950586 
13.99273 
1 1 1 21  3   26 o 25.35760 8.040452  33.76154       179.1416 -39.32931      
257.8860 101.9213       249.0349 23.91617 11.02418 26.79904 11.70739 -2.882866 
16.08090 
1 1 1 21  3   27 o 28.30525 8.566365  162.8400       180.1151 260.2919       
274.8904 89.52737       238.4261 30.91591 12.84865 25.69459 11.33325 5.221327 
17.13273 
1 1 1 21  3   28 o 24.34385 7.808125  32.98267       177.8431 -110.1210      
267.7646 145.9386       237.8933 22.13707 10.54331 26.55063 11.51980 -4.413563 
15.61625 
1 1 1 21  3   29 o 22.40895 7.609890  -243.1932      219.1133 -693.6638      
311.8868 195.8284       307.8979 17.33704 8.764885 27.48086 12.44261 -10.14381 
15.21978 
1 1 1 21  3   30 o 23.02369 7.747049  25.43616       204.7120 -66.26710      
282.0200 127.5671       297.6228 21.44821 10.36065 24.59917 11.52059 -3.150961 
15.49410 
1 1 1 21  4   0  o 119.4196 4.789860  3054.801       237.8861 3238.736       
321.6380 2832.679       353.4513 123.5413 6.201205 115.2979 7.301788 8.243431 
9.579720 
1 1 1 21  4   1  o 126.8089 4.786888  3429.900       251.1174 3487.196       
329.8771 3350.941       387.2494 128.2172 6.128117 125.4006 7.355499 2.816574 
9.573775 
1 1 1 21  4   2  o 42.70866 6.380378  412.0820       119.7739 688.4955       
170.0475 139.9288       168.7320 56.87131 7.121936 28.54601 10.58843 28.32529 
12.76076 
1 1 1 21  4   3  o 76.26289 4.572266  1214.646       144.1285 1126.864       
185.5384 1348.220       228.8727 72.89840 6.062293 79.62740 6.846245 -6.728996 
9.144532 
1 1 1 21  4   4  o 119.0117 4.652142  2974.289       220.6546 2901.414       
270.7556 3118.407       380.7550 117.0761 5.508460 120.9472 7.498437 -3.871124 
9.304283 
1 1 1 21  4   5  f 152.4939 4.867352  4945.051       308.7774 4941.667       
410.0180 4949.484       469.3194 152.5672 6.401222 152.4205 7.334087 0.1466217 
9.734705 
1 1 1 21  4   6  o 41.49949 6.434675  380.8798       109.4845 478.2359       
160.5095 296.1702       149.7218 46.56152 8.528739 36.43747 9.637466 10.12405 
12.86935 
1 1 1 21  4   7  o 44.45236 6.511222  357.5811       142.0551 916.5505       
224.4763 -15.79893      183.4645 65.46368 8.167540 23.44105 10.14275 42.02263 
13.02244 
1 1 1 21  4   8  o 66.88779 5.878827  970.4314       162.8069 830.3646       
237.8512 1093.909       223.3224 62.15440 9.114957 71.62117 7.426975 -9.466774 
11.75765 
1 1 1 21  4   9  o 87.99942 5.036425  1655.590       185.4119 1751.320       
256.9943 1551.670       267.7610 90.72842 6.746853 85.27042 7.479457 5.458000 
10.07285 
1 1 1 21  4   10 o 71.53357 5.089743  1087.813       150.0926 1110.492       
236.7302 1072.568       194.0903 72.05193 7.825809 71.01521 6.509889 1.036720 
10.17949 
1 1 1 21  4   11 o 115.8473 4.945699  2853.771       239.3648 2775.188       
321.1185 2952.031       359.0796 114.1340 6.701489 117.5605 7.275287 -3.426552 
9.891398 
1 1 1 21  4   12 o 121.2669 4.751559  3113.581       227.0703 3068.829       
276.1768 3206.952       398.9212 120.2609 5.469955 122.2728 7.771026 -2.011864 
9.503118 
1 1 1 21  4   13 o 32.65838 7.777099  216.6218       124.7881 181.8345       
161.8810 267.5660       195.8993 30.10318 10.45444 35.21358 11.51684 -5.110397 
15.55420 
1 1 1 21  4   14 o 26.47574 7.782609  46.07549       143.3926 94.24963       
208.7618 3.046477       197.2989 28.29034 11.40586 24.66114 10.59162 3.629194 
15.56522 
1 1 1 21  4   15 o 40.89162 7.511977  300.9237       166.6099 -88.77167      
226.2743 762.3972       246.2329 23.84002 10.73701 57.94323 10.50884 -34.10322 
15.02395 
1 1 1 21  4   16 o 29.97873 8.476048  120.5262       162.0862 82.33051       
227.5515 159.8662       230.9349 28.58739 11.76866 31.37008 12.20132 -2.782686 
16.95210 
1 1 1 21  4   17 o 74.50919 5.948689  1219.425       182.7324 1512.606       
263.2791 946.9211       253.8253 83.49559 7.510586 65.52279 9.227065 17.97280 
11.89738 
1 1 1 21  4   18 o 35.83705 7.720704  275.2497       135.0890 132.9715       
183.6123 443.1468       199.4594 28.23726 10.90083 43.43683 10.93659 -15.19957 
15.44141 
1 1 1 21  4   19 o 38.25170 8.817221  283.6400       188.1370 -2.771351      
261.4704 591.1106       270.9126 27.35331 11.97242 49.15010 12.94738 -21.79679 
17.63444 
1 1 1 21  4   20 o 39.05064 9.307818  354.0255       188.6631 205.6321       
268.5833 498.5636       265.0713 33.34764 13.11535 44.75363 13.21097 -11.40599 
18.61564 
1 1 1 21  4   21 o 46.72308 8.856917  548.1940       185.5891 751.3785       
264.8069 352.0487       260.1795 55.32850 11.75407 38.11766 13.25224 17.21084 
17.71383 
1 1 1 21  4   22 o 32.65944 9.039588  203.6142       186.1448 325.6306       
263.2576 81.61462       263.2393 36.60884 13.26955 28.71004 12.27907 7.898802 
18.07918 
1 1 1 21  4   23 o 82.75861 6.891919  1624.102       238.7913 1551.671       
344.2864 1691.246       331.4814 80.55083 10.18054 84.96639 9.292511 -4.415565 
13.78384 
1 1 1 21  4   24 o 30.17369 8.764877  144.8096       180.8338 302.4796       
276.4463 26.88317       239.0792 34.70052 13.37983 25.64687 11.32574 9.053650 
17.52975 
1 1 1 21  4   25 o 20.86632 7.038816  -186.4452      155.9889 -92.44913      
274.9878 -231.0416      189.4125 24.18207 11.23689 17.55057 8.480103 6.631502 
14.07763 
1 1 1 21  4   26 o 22.11048 7.222026  -70.55350      156.9553 -108.8282      
214.0497 -26.04012      230.8362 20.86477 9.771373 23.35620 10.63724 -2.491432 
14.44405 
1 1 1 21  4   27 o 31.98071 8.885531  219.4681       188.6860 516.7952       
288.4094 -3.022089      249.4869 39.79494 13.94143 24.16649 11.02031 15.62845 
17.77106 
1 1 1 21  4   28 o 30.07065 8.643208  215.9332       178.5362 413.2256       
265.4574 52.98115       241.2513 35.50480 13.25875 24.63650 11.09170 10.86829 
17.28642 
1 1 1 21  4   29 o 25.21361 8.002880  98.53529       176.3317 96.63717       
253.8153 100.3060       245.1518 25.26274 11.37507 25.16448 11.26021 
0.9825325E-01  16.00576 
1 1 1 21  4   30 o 21.23840 7.306081  -143.6563      207.5109 -139.3883      
280.3574 -148.8275      308.6011 20.92343 10.15392 21.55336 10.50777 
-0.6299286     14.61216 
1 1 1 21  4   31 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  5   0  o 47.13594 6.299289  516.5962       118.5009 699.1857       
161.2496 302.1960       174.7324 57.35172 6.696893 36.92017 10.67126 20.43154 
12.59858 
1 1 1 21  5   1  o 48.36390 6.238671  510.9317       122.6903 641.3760       
178.0678 393.0365       169.2859 54.82142 7.736706 41.90637 9.789149 12.91505 
12.47734 
1 1 1 21  5   2  o 29.26535 7.565434  147.5224       122.7254 94.09504       
170.9761 204.3059       176.2644 26.64478 10.46899 31.88591 10.92444 -5.241121 
15.13087 
1 1 1 21  5   3  o 53.99523 6.255009  646.5309       130.9220 1006.618       
193.6105 343.1510       177.7126 68.82564 6.700383 39.16482 10.56435 29.66082 
12.51002 
1 1 1 21  5   4  o 114.1686 4.636493  2756.450       221.2181 3153.153       
323.5906 2408.371       303.1118 121.8941 6.323165 106.4431 6.782761 15.45096 
9.272985 
1 1 1 21  5   5  o 48.93515 6.696303  529.0721       133.5906 724.7585       
193.5651 351.0839       184.6045 58.26036 7.913618 39.60994 10.80447 18.65042 
13.39261 
1 1 1 21  5   6  o 115.0161 4.952416  2822.021       238.4604 2965.077       
330.9868 2667.631       343.8486 118.1255 6.674029 111.9066 7.318677 6.218872 
9.904832 
1 1 1 21  5   7  o 69.73647 5.273371  1037.512       153.5427 1028.120       
228.8455 1045.201       207.0683 69.39108 7.855247 70.08186 7.037674 
-0.6907730     10.54674 
1 1 1 21  5   8  o 104.4526 5.072542  2337.797       220.3284 2446.900       
296.3865 2203.031       329.4054 107.3122 6.578551 101.5929 7.723042 5.719330 
10.14508 
1 1 1 21  5   9  o 49.43468 7.153933  557.4529       144.8947 388.3579       
213.3661 702.1723       197.3893 41.58768 11.71949 57.28169 8.207837 -15.69400 
14.30787 
1 1 1 21  5   10 o 114.4295 4.438617  2741.619       204.7759 2921.251       
345.7931 2644.599       254.1285 117.1053 7.033325 111.7537 5.416421 5.351631 
8.877234 
1 1 1 21  5   11 o 148.0107 6.475579  4717.563       401.9808 4764.297       
582.9653 4675.198       555.0360 148.6321 9.342244 147.3893 8.969669 1.242844 
12.95116 
1 1 1 21  5   12 o 58.53269 6.566018  762.0991       154.0665 919.4114       
215.7231 598.3249       220.1090 65.50077 7.844607 51.56461 10.53150 13.93616 
13.13204 
1 1 1 21  5   13 o 30.71009 7.859968  153.8762       138.8874 22.11724       
196.8164 284.5695       196.0189 25.32996 10.71693 36.09022 11.50060 -10.76026 
15.71994 
1 1 1 21  5   14 o 37.73570 8.237857  285.8969       161.4196 60.75029       
227.3206 514.8917       229.2552 28.14520 11.68984 47.32620 11.61021 -19.18100 
16.47571 
1 1 1 21  5   15 o 100.2397 5.720571  2172.885       240.6008 2181.678       
334.9695 2163.513       345.8112 100.5035 7.938625 99.97602 8.238808 0.5274506 
11.44114 
1 1 1 21  5   16 o 41.20316 8.211783  357.7673       149.8427 229.4609       
190.0241 568.7197       243.6560 33.02499 11.34047 49.38134 11.87970 -16.35635 
16.42357 
1 1 1 21  5   17 o 31.82601 8.532372  151.0601       164.9118 13.26429       
227.7426 302.9598       239.1138 26.45517 11.37140 37.19685 12.72387 -10.74168 
17.06474 
1 1 1 21  5   18 o 75.09041 5.880939  1222.627       183.8401 1466.102       
273.6560 1022.367       248.1847 81.97160 7.951748 68.20921 8.666687 13.76238 
11.76188 
1 1 1 21  5   19 o 28.72357 8.328203  99.49276       152.7018 99.90401       
185.9254 98.64038       267.6692 26.98682 10.81206 30.46032 12.67025 -3.473495 
16.65641 
1 1 1 21  5   20 o 57.64060 8.330671  787.9881       199.8882 1171.318       
294.2495 459.5112       272.3842 72.02316 9.731161 43.25805 13.52423 28.76512 
16.66134 
1 1 1 21  5   21 o 89.53851 6.580109  1790.693       241.8437 1691.805       
307.9310 1949.882       390.6938 86.95429 8.434969 92.12274 10.10161 -5.168449 
13.16022 
1 1 1 21  5   22 o 23.54333 7.780269  -183.5582      190.8803 -123.1141      
281.6489 -234.9049      259.5896 25.05962 11.53962 22.02705 10.43875 3.032572 
15.56054 
1 1 1 21  5   23 o 63.18972 6.781694  933.4926       179.8365 907.6984       
249.9247 961.1878       258.9709 62.31034 9.553666 64.06911 9.627718 -1.758766 
13.56339 
1 1 1 21  5   24 o 37.28518 8.108865  310.9211       185.6637 -162.3367      
283.7032 665.4392       245.5469 23.83638 11.17848 50.73398 11.74974 -26.89760 
16.21773 
1 1 1 21  5   25 o 30.21943 8.572882  164.5280       179.4579 -32.09646      
265.3679 330.2303       243.6093 25.16101 11.44473 35.27786 12.76697 -10.11685 
17.14576 
1 1 1 21  5   26 o 33.41517 8.092064  252.0508       164.5482 521.3254       
228.5886 -37.53942      237.0548 43.28567 12.10853 23.54467 10.73823 19.74099 
16.18413 
1 1 1 21  5   27 o 24.92823 7.692058  63.61345       155.7389 -87.37342      
263.9092 144.2887       192.9101 23.25059 10.88176 26.60586 10.87466 -3.355265 
15.38412 
1 1 1 21  5   28 o 45.47037 9.068564  645.2624       183.7426 555.8731       
276.8452 715.6394       245.6460 41.14535 13.69101 49.79539 11.89587 -8.650047 
18.13713 
1 1 1 21  5   29 o 39.07800 8.963489  475.9627       188.0328 785.5593       
278.0613 215.1014       255.2392 49.45970 13.15766 28.69629 12.17590 20.76341 
17.92698 
1 1 1 21  5   30 o 32.35713 8.965999  366.5320       188.8875 523.5072       
262.2475 197.3041       272.2900 37.46601 13.27720 27.24825 12.05291 10.21776 
17.93200 
1 1 1 21  5   31 o 21.34521 7.191172  -22.42812      174.8368 -28.63969      
224.8121 -12.92135      278.1221 20.56283 9.730448 22.12760 10.59104 -1.564774 
14.38234 
1 1 1 21  6   0  o 49.72617 6.053030  537.7197       123.6060 532.0091       
178.2349 543.0108       171.5662 49.05623 8.989120 50.39610 8.108787 -1.339874 
12.10606 
1 1 1 21  6   1  o 94.07777 4.354966  1878.209       171.5112 1887.768       
234.1854 1867.150       251.8877 94.37475 5.910512 93.78079 6.397558 0.5939560 
8.709931 
1 1 1 21  6   2  o 74.32431 5.047554  1176.388       156.0186 1179.927       
207.1704 1171.751       237.1412 74.52514 6.621342 74.12347 7.620305 0.4016647 
10.09511 
1 1 1 21  6   3  o 24.22372 6.988378  13.19288       119.2274 139.8360       
173.2833 -100.6611      164.3009 28.74981 10.71705 19.69764 8.971869 9.052168 
13.97676 
1 1 1 21  6   4  o 37.93006 7.499265  319.2353       126.6040 236.6628       
179.7157 400.5868       178.3820 33.59344 11.03087 42.26669 10.16247 -8.673252 
14.99853 
1 1 1 21  6   5  o 96.65780 4.479412  1966.552       179.8408 2090.085       
278.5633 1878.265       235.4939 99.17897 6.689989 94.13663 5.958570 5.042343 
8.958823 
1 1 1 21  6   6  o 28.27223 7.503560  96.29583       134.2945 -87.71688      
201.5828 243.1358       180.0743 22.61744 10.16320 33.92702 11.04187 -11.30959 
15.00712 
1 1 1 21  6   7  o 31.50884 7.830926  188.9158       132.1370 100.8927       
197.6811 260.0104       177.6582 28.29145 11.21208 34.72624 10.93539 -6.434790 
15.66185 
1 1 1 21  6   8  o 27.02520 7.226807  36.66101       135.8422 -236.6512      
204.3315 253.1344       181.8478 19.58964 9.273096 34.46075 11.08678 -14.87110 
14.45361 
1 1 1 21  6   9  o 21.44188 6.864458  -110.0605      135.6986 -216.7792      
208.1306 -31.15306      178.9677 20.20225 9.494521 22.68151 9.916512 -2.479263 
13.72892 
1 1 1 21  6   10 o 119.1947 5.519155  3037.259       272.2297 3023.152       
421.3859 3047.365       356.6445 118.7783 8.450143 119.6112 7.102068 
-0.8328934     11.03831 
1 1 1 21  6   11 o 73.55000 5.595670  1178.355       169.0481 1411.543       
234.7009 926.9567       243.6928 81.42172 6.865870 65.67827 8.837756 15.74345 
11.19134 
1 1 1 21  6   12 o 38.64646 7.741458  329.3764       137.2134 458.4269       
194.4803 201.4641       193.6208 45.08477 10.46687 32.20815 11.40900 12.87662 
15.48292 
1 1 1 21  6   13 o 68.13501 6.288915  1029.942       171.3291 896.2131       
278.0426 1111.801       217.5354 64.14677 10.32423 72.12326 7.184155 -7.976494 
12.57783 
1 1 1 21  6   14 o 24.45912 7.543389  -38.50953      143.8424 41.47673       
227.3986 -91.86210      185.7196 27.58819 11.58832 21.33005 9.660315 6.258137 
15.08678 
1 1 1 21  6   15 o 109.2883 5.223320  2566.970       238.7254 2867.187       
341.9725 2281.603       333.4077 115.6372 7.043927 102.9395 7.714620 12.69764 
10.44664 
1 1 1 21  6   16 o 122.2137 6.311488  3257.025       323.6593 3376.029       
457.5296 3137.819       457.9174 124.5370 8.750681 119.8904 9.097533 4.646576 
12.62298 
1 1 1 21  6   17 o 110.7832 5.376443  2657.387       242.9122 2650.276       
392.2210 2661.811       309.3892 110.2602 8.472917 111.3062 6.620744 -1.045944 
10.75289 
1 1 1 21  6   18 o 76.53914 5.143521  1252.027       164.2278 1109.756       
218.4180 1437.079       249.1014 71.60281 7.265734 81.47546 7.282332 -9.872643 
10.28704 
1 1 1 21  6   19 o 108.4889 6.483249  2566.392       292.9484 2226.216       
387.8085 3018.467       447.0650 100.2177 9.217098 116.7602 9.120043 -16.54255 
12.96650 
1 1 1 21  6   20 f 61.95198 6.524253  852.2541       168.9484 970.3545       
247.9430 749.8918       230.8319 66.05031 8.941247 57.85365 9.503558 8.196663 
13.04851 
1 1 1 21  6   21 o 43.34719 8.688389  471.0770       169.1936 351.0174       
262.6874 556.1943       221.1819 38.55851 13.32454 48.13586 11.15388 -9.577354 
17.37678 
1 1 1 21  6   22 o 26.36872 7.945682  30.15276       159.9420 138.8019       
222.5276 -85.96004      230.0439 29.33804 11.79755 23.39940 10.64675 5.938639 
15.89136 
1 1 1 21  6   23 o 30.09049 8.750190  120.0348       178.7417 252.3221       
274.3026 22.41239       235.6381 34.14453 13.29416 26.03645 11.38107 8.108086 
17.50038 
1 1 1 21  6   24 o 43.89107 9.333968  525.8290       188.1886 445.8232       
292.4460 582.3729       245.8544 40.56431 14.05504 47.21783 12.28607 -6.653526 
18.66794 
1 1 1 21  6   25 o 56.26468 7.361117  761.1122       168.2856 598.9289       
219.5034 992.3633       262.1079 48.32192 11.05444 64.20744 9.723351 -15.88551 
14.72223 
1 1 1 21  6   26 o 39.07551 8.545408  412.2413       182.4081 100.3602       
269.0444 677.5585       248.1488 28.07342 12.21671 50.07761 11.95190 -22.00419 
17.09082 
1 1 1 21  6   27 o 41.82478 9.152943  530.4841       192.0392 317.9169       
287.9471 700.7753       257.7275 33.85453 13.49561 49.79504 12.36826 -15.94051 
18.30589 
1 1 1 21  6   28 o 71.67567 8.528226  1416.522       249.6677 1261.731       
327.6435 1630.862       385.5486 66.91752 12.10654 76.43382 12.01475 -9.516296 
17.05645 
1 1 1 21  6   29 o 28.10854 8.583099  173.1278       187.8913 241.7564       
251.7961 86.90125       282.2389 29.82421 12.33990 26.39287 11.93337 3.431339 
17.16620 
1 1 1 21  6   30 o 41.54300 9.786542  621.8862       199.3013 550.3458       
267.9400 710.4919       298.1895 39.20169 13.46575 43.88430 14.20490 -4.682602 
19.57308 
1 1 1 21  6   31 o 27.09088 8.535364  215.0542       204.4731 53.53609       
296.4558 361.6127       282.3936 23.93599 11.27317 30.24578 12.81895 -6.309790 
17.07073 
1 1 1 21  6   32 o 24.87212 7.284548  190.5623       131.9482 39.85931       
255.2715 245.5071       154.1362 22.22429 10.46521 27.51994 10.13598 -5.295656 
14.56910 
1 1 1 21  7   0  o 75.21775 4.690435  1202.742       147.9876 1266.975       
210.1407 1139.544       208.4419 77.23161 6.480912 73.20389 6.782220 4.027725 
9.380871 
1 1 1 21  7   1  o 84.33142 4.442101  1516.271       156.3512 1429.239       
229.7389 1591.358       213.3929 82.00809 6.672658 86.65476 5.865550 -4.646675 
8.884202 
1 1 1 21  7   2  o 97.00182 4.371972  1969.102       173.8690 1877.662       
220.8727 2118.085       281.9304 94.17345 5.586434 99.83017 6.726686 -5.656715 
8.743944 
1 1 1 21  7   3  o 41.38580 7.168872  384.8321       123.8770 345.4715       
176.9848 422.6342       173.4457 39.29036 10.51775 43.48124 9.744123 -4.190887 
14.33774 
1 1 1 21  7   4  o 59.04462 5.381263  735.3045       132.6335 848.5025       
199.2197 645.1857       177.7544 63.09255 7.520994 54.99668 7.698480 8.095875 
10.76253 
1 1 1 21  7   5  o 46.71157 6.677707  506.2874       135.6577 147.0561       
192.7977 858.5335       190.9140 29.91328 11.27388 63.50986 7.160078 -33.59658 
13.35541 
1 1 1 21  7   6  o 89.66603 4.753633  1706.544       175.7703 1719.347       
276.1297 1697.823       227.9075 89.84693 7.320334 89.48512 6.066369 0.3618088 
9.507267 
1 1 1 21  7   7  o 177.4309 5.926960  6734.546       431.9736 6741.702       
685.2603 6729.827       556.4606 177.1602 9.213198 177.7017 7.458715 
-0.5414276     11.85392 
1 1 1 21  7   8  o 30.88041 7.811407  169.8530       134.3230 57.73333       
199.8068 262.3087       181.4414 26.84415 11.03555 34.91667 11.05843 -8.072517 
15.62281 
1 1 1 21  7   9  o 89.97093 4.844294  1649.905       179.0642 2122.434       
291.2614 1362.784       227.0395 99.87930 6.945899 80.06257 6.754496 19.81673 
9.688587 
1 1 1 21  7   10 o 48.01537 7.576493  521.4226       149.2727 442.7338       
213.9041 596.1211       208.4100 44.27279 11.43212 51.75794 9.945836 -7.485157 
15.15299 
1 1 1 21  7   11 o 87.58211 5.326185  1616.679       194.3318 1925.858       
292.3580 1371.940       260.1128 95.02868 7.327932 80.13554 7.731391 14.89314 
10.65237 
1 1 1 21  7   12 o 121.5604 5.011099  3150.606       255.7245 3140.183       
363.4846 3160.822       359.8409 121.3486 7.134645 121.7721 7.038558 
-0.4235764     10.02220 
1 1 1 21  7   13 f 75.10226 5.577489  1199.545       173.6913 1266.966       
270.4817 1152.233       226.5813 76.78271 8.390646 73.42182 7.350551 3.360893 
11.15498 
1 1 1 21  7   14 o 83.26299 5.319080  1480.786       183.8265 1452.514       
241.4517 1519.769       283.5279 82.44088 6.976036 84.08508 8.031524 -1.644203 
10.63816 
1 1 1 21  7   15 o 62.22854 6.185625  825.9507       158.8054 905.0178       
253.2445 774.7087       203.8704 64.51085 9.350361 59.94624 8.100529 4.564613 
12.37125 
1 1 1 21  7   16 o 32.35694 8.577541  187.4960       156.6284 200.6582       
235.2610 177.0174       209.9120 33.26025 12.46972 31.45362 11.78147 1.806625 
17.15508 
1 1 1 21  7   17 o 22.88414 6.954522  -87.25237      135.7076 121.5678       
188.1289 -313.7934      195.9489 28.22717 11.00566 17.54112 8.505107 10.68605 
13.90904 
1 1 1 21  7   18 o 80.19034 5.505256  1397.722       184.9452 1295.002       
261.4851 1500.547       261.6190 77.13840 8.074160 83.24228 7.485940 -6.103882 
11.01051 
1 1 1 21  7   19 o 24.02872 7.540644  -45.71618      150.7320 -51.29645      
231.8494 -41.63084      198.3775 24.86036 11.04325 23.19709 10.27092 1.663265 
15.08129 
1 1 1 21  7   20 o 81.02290 6.871027  1428.085       227.8976 1951.974       
352.6277 1052.312       298.6482 93.81248 8.953172 68.23334 10.42520 25.57914 
13.74205 
1 1 1 21  7   21 o 45.28109 8.474857  495.7604       163.3908 468.1173       
223.3855 527.5634       239.6053 43.99136 11.83450 46.57082 12.13415 -2.579460 
16.94971 
1 1 1 21  7   22 o 36.83503 9.013257  308.6199       183.6374 108.6010       
277.9087 463.6440       244.6617 30.52105 12.81512 43.14901 12.67786 -12.62795 
18.02651 
1 1 1 21  7   23 o 81.76967 6.404312  1457.083       211.1958 1801.438       
364.4927 1283.041       259.1276 88.07264 9.857548 75.46670 8.178606 12.60594 
12.80862 
1 1 1 21  7   24 o 40.58291 8.784706  427.5839       166.0390 497.8915       
230.1472 351.2688       239.7779 43.95304 12.09701 37.21278 12.74153 6.740265 
17.56941 
1 1 1 21  7   25 o 29.61508 8.172531  179.4097       154.2733 17.21589       
263.4171 264.0861       190.3304 26.50430 11.77259 32.72586 11.33874 -6.221560 
16.34506 
1 1 1 21  7   26 o 35.96541 9.372319  348.6748       188.6723 281.1183       
269.2578 413.8417       264.4529 33.55152 13.14914 38.37930 13.35895 -4.827782 
18.74464 
1 1 1 21  7   27 o 66.44682 8.499455  1161.710       227.7500 835.2612       
301.9161 1592.757       346.9292 53.63175 13.42653 79.26190 10.42551 -25.63015 
16.99891 
1 1 1 21  7   28 o 33.21108 9.028377  301.4382       179.0718 413.4071       
266.6486 209.4568       241.6801 36.75502 13.35157 29.66714 12.15656 7.087879 
18.05675 
1 1 1 21  7   29 o 29.30633 8.556528  186.4163       172.5524 364.2640       
269.6588 63.10211       224.5417 34.04903 13.19673 24.56363 10.89509 9.485401 
17.11306 
1 1 1 21  7   30 o 27.58482 8.442529  176.6881       179.3206 214.4156       
264.4735 144.5856       243.9619 28.63426 12.27922 26.53537 11.58990 2.098888 
16.88506 
1 1 1 21  7   31 o 21.42883 7.078425  8.071517       134.6411 -36.60703      
299.3743 19.39991       150.7471 23.21936 11.08348 19.63830 8.807548 3.581062 
14.15685 
1 1 1 21  7   32 o 26.65543 7.977985  225.2441       139.2905 285.6158       
305.3100 209.3752       156.5301 27.36016 12.38897 25.95070 10.05517 1.409466 
15.95597 
1 1 1 21  8   0  o 90.75815 4.697872  1748.848       178.0595 2002.421       
257.3600 1516.012       246.6121 97.11669 6.312017 84.39960 6.959773 12.71709 
9.395744 
1 1 1 21  8   1  o 98.33557 4.733996  2063.372       193.9341 2128.268       
261.1422 1983.569       289.5864 100.1513 6.210715 96.51987 7.146321 3.631409 
9.467993 
1 1 1 21  8   2  o 90.96342 4.575387  1757.824       174.6324 1695.146       
247.5039 1819.963       246.4347 89.32698 6.599643 92.59988 6.338879 -3.272896 
9.150774 
1 1 1 21  8   3  f 81.29376 4.797530  1404.517       163.7158 1438.556       
233.1230 1371.393       229.9674 82.27071 6.749334 80.31681 6.819946 1.953896 
9.595059 
1 1 1 21  8   4  o 62.81078 5.121121  832.9024       132.8677 1061.194       
197.5331 644.2705       179.5572 70.67419 6.657331 54.94738 7.783537 15.72681 
10.24224 
1 1 1 21  8   5  f 31.35458 7.371793  172.2027       112.4714 310.6499       
190.6656 98.31809       139.2860 37.55875 11.23093 25.15040 9.551938 12.40835 
14.74359 
1 1 1 21  8   6  o 72.59577 5.428937  1128.956       164.0922 1301.225       
233.0395 959.5479       231.0957 78.19623 7.098470 66.99532 8.216151 11.20091 
10.85787 
1 1 1 21  8   7  o 68.06477 5.044118  971.8668       142.9291 879.9899       
187.8365 1098.227       220.2832 64.32175 6.955737 71.80779 7.306863 -7.486031 
10.08824 
1 1 1 21  8   8  o 95.70828 4.423053  1929.867       177.0919 2127.103       
263.9413 1768.377       238.8290 100.1205 6.279213 91.29604 6.230978 8.824486 
8.846107 
1 1 1 21  8   9  o 75.18271 5.485445  1201.337       172.5192 1067.009       
236.4204 1354.330       252.3121 70.67223 7.968147 79.69319 7.541157 -9.020966 
10.97089 
1 1 1 21  8   10 o 70.19821 5.280581  1059.958       152.6653 1311.948       
218.1024 817.8896       213.7657 78.56937 6.611931 61.82706 8.235321 16.74232 
10.56116 
1 1 1 21  8   11 o 63.16905 5.810980  851.4345       153.8621 911.3875       
225.0773 798.8412       210.8104 65.25008 8.216214 61.08803 8.219718 4.162045 
11.62196 
1 1 1 21  8   12 o 71.47395 5.756021  1081.944       171.3460 1002.962       
225.7009 1189.392       263.2494 68.47910 7.850480 74.46879 8.420041 -5.989685 
11.51204 
1 1 1 21  8   13 o 54.64566 7.481440  700.9180       164.3725 421.0919       
243.0478 936.7837       223.1414 43.18381 12.61935 66.10751 8.039894 -22.92370 
14.96288 
1 1 1 21  8   14 o 166.7689 6.242016  6000.876       435.9524 5994.716       
596.0173 6007.962       639.3171 166.8374 8.509156 166.7003 9.134842 0.1371002 
12.48403 
1 1 1 21  8   15 f 59.20538 7.008275  783.6799       167.1134 718.2404       
253.6854 833.8459       222.1164 56.26942 11.13461 62.14135 8.513755 -5.871925 
14.01655 
1 1 1 21  8   16 o 56.46372 7.094434  728.7792       159.8295 603.3717       
243.5578 823.6304       211.8174 51.19066 11.59910 61.73678 8.172194 -10.54612 
14.18887 
1 1 1 21  8   17 o 45.74268 8.316648  494.4059       163.7671 361.0483       
241.6191 607.7326       222.7350 39.94250 12.77249 51.54286 10.65504 -11.60036 
16.63330 
1 1 1 21  8   18 o 24.70579 7.345420  29.05837       132.0967 -117.8161      
226.9719 104.2899       162.4422 23.14894 10.54419 26.26264 10.22941 -3.113697 
14.69084 
1 1 1 21  8   19 o 51.40841 7.713752  613.4716       161.0257 614.7231       
235.4298 612.3715       220.7297 51.32074 11.23492 51.49607 10.57281 
-0.1753311     15.42750 
1 1 1 21  8   20 o 37.86477 8.007641  299.5034       168.5197 583.6586       
227.2947 -47.37123      251.1295 49.83083 11.14598 25.89870 11.50028 23.93214 
16.01528 
1 1 1 21  8   21 o 35.74396 9.287041  268.4063       180.8584 301.4694       
280.7968 244.9657       236.4318 37.26535 13.68506 34.22256 12.55849 3.042789 
18.57408 
1 1 1 21  8   22 o 96.97937 6.199835  2082.955       250.8544 2384.404       
380.3261 1850.827       333.7441 103.0996 8.786586 90.85912 8.749156 12.24049 
12.39967 
1 1 1 21  8   23 o 38.57484 9.014183  294.7997       187.3926 638.2150       
292.4797 55.66108       244.0680 49.61568 13.62904 27.53401 11.80132 22.08167 
18.02837 
1 1 1 21  8   24 o 45.93258 8.358480  539.2544       181.8499 219.6204       
258.3618 853.0804       256.0037 32.64028 12.85503 59.22487 10.68668 -26.58459 
16.71696 
1 1 1 21  8   25 o 30.10589 8.843826  136.4787       189.2671 250.1021       
264.5218 17.29104       270.9213 33.26875 13.03407 26.94303 11.95684 6.325716 
17.68765 
1 1 1 21  8   26 f 33.16941 9.275142  254.2650       194.0428 343.7983       
276.1302 166.9184       272.7371 35.99849 13.50688 30.34032 12.71524 5.658173 
18.55028 
1 1 1 21  8   27 o 25.25655 7.890699  -7.513665      168.2878 177.1719       
255.9301 -148.1946      223.3688 29.72425 12.37827 20.78886 9.789324 8.935396 
15.78140 
1 1 1 21  8   28 o 32.82575 9.117024  291.7389       186.4593 356.1751       
255.1205 217.8502       273.1928 35.04562 13.01574 30.60588 12.76993 4.439743 
18.23405 
1 1 1 21  8   29 o 27.90718 8.582683  117.3414       190.5469 -13.02503      
255.8449 279.7289       285.5423 24.05879 11.04489 31.75557 13.14002 -7.696779 
17.16537 
1 1 1 21  8   30 o 30.40344 8.909986  222.1962       199.4449 4.675373       
277.2267 455.5689       287.1505 24.54108 11.35705 36.26580 13.73204 -11.72472 
17.81997 
1 1 1 21  8   31 f 23.16058 7.136267  82.43376       136.1610 -247.0816      
303.5043 165.4667       152.3535 21.02627 10.28512 25.29489 9.895534 -4.268625 
14.27253 
1 1 1 21  8   32 o 28.54557 8.015932  275.4458       137.3890 249.1067       
317.2136 281.5275       152.4275 27.17752 12.40228 29.91363 10.15894 -2.736105 
16.03186 
1 1 1 21  9   0  o 129.3012 4.973487  3561.776       267.3407 3572.504       
354.5829 3547.643       406.9593 129.6575 6.513903 128.9449 7.517404 0.7125702 
9.946974 
1 1 1 21  9   1  o 46.24418 6.760215  477.4259       126.5170 465.0162       
187.3665 487.8260       171.5253 45.55976 10.06465 46.92860 9.028006 -1.368832 
13.52043 
1 1 1 21  9   2  o 99.88310 4.476459  2101.566       186.1956 2239.802       
285.3358 1999.049       245.7227 102.6705 6.619602 97.09573 6.027903 5.574730 
8.952918 
1 1 1 21  9   3  o 38.42673 6.947470  330.7192       124.7696 115.2915       
181.0311 525.6447       172.2014 28.02604 10.82297 48.82743 8.713930 -20.80140 
13.89494 
1 1 1 21  9   4  o 27.85722 7.533883  114.9233       124.9859 60.83295       
182.2804 162.9204       171.7067 25.97080 10.58558 29.74364 10.72301 -3.772844 
15.06777 
1 1 1 21  9   5  o 123.3202 4.933222  3223.418       254.6806 3380.784       
377.7540 3092.282       344.8379 126.0315 7.139223 120.6088 6.810155 5.422722 
9.866444 
1 1 1 21  9   6  o 59.33531 5.813132  756.1125       142.7247 731.1816       
219.1948 774.4624       188.0517 58.38372 8.942513 60.28690 7.429771 -1.903187 
11.62626 
1 1 1 21  9   7  o 61.02897 5.779058  816.8484       143.5741 688.5356       
220.7408 910.9322       189.0189 56.60625 9.288366 65.45169 6.878684 -8.845440 
11.55812 
1 1 1 21  9   8  o 125.4523 5.564781  3348.746       292.5951 3136.404       
400.5814 3591.606       428.4022 121.2028 7.872253 129.7017 7.867324 -8.498878 
11.12956 
1 1 1 21  9   9  o 79.14943 4.987782  1322.254       164.5660 1119.578       
222.8401 1565.385       244.0689 72.49094 7.322015 85.80792 6.774951 -13.31698 
9.975563 
1 1 1 21  9   10 o 77.10098 4.954413  1199.955       151.0075 1084.872       
181.3575 1460.111       272.6759 71.52085 6.039820 82.68111 7.855278 -11.16026 
9.908826 
1 1 1 21  9   11 o 60.40159 5.897448  776.3627       149.0337 698.7119       
202.2795 868.5637       220.4177 57.10498 8.437213 63.69820 8.242147 -6.593224 
11.79490 
1 1 1 21  9   12 o 105.9585 5.680085  2403.564       252.5066 2426.636       
351.7163 2379.023       362.7350 106.5255 7.864297 105.3915 8.197946 1.134064 
11.36017 
1 1 1 21  9   13 o 64.08626 5.962515  870.6187       159.3984 1005.590       
241.3199 766.1532       212.3041 68.44231 8.398263 59.73021 8.466141 8.712109 
11.92503 
1 1 1 21  9   14 o 36.49682 8.297180  277.6876       144.6762 210.3910       
190.9452 368.3960       221.6847 32.47268 11.34684 40.52096 12.10875 -8.048275 
16.59436 
1 1 1 21  9   15 o 81.86179 5.887824  1507.677       192.2076 1182.037       
301.8420 1729.784       249.2824 73.69948 9.755204 90.02409 6.595595 -16.32461 
11.77565 
1 1 1 21  9   16 o 51.32516 7.146650  602.5520       141.7381 542.3577       
245.2091 632.7556       173.6954 48.41864 12.08718 54.23167 7.628800 -5.813034 
14.29330 
1 1 1 21  9   17 o 76.27826 5.781870  1277.996       181.0753 1160.337       
278.9513 1363.676       238.0444 72.91563 9.112317 79.64088 7.119393 -6.725250 
11.56374 
1 1 1 21  9   18 o 31.45613 7.934756  86.19470       154.4729 407.3388       
237.5893 -148.9649      203.3098 41.89214 12.53906 21.02011 9.726936 20.87204 
15.86951 
1 1 1 21  9   19 o 57.56892 6.979564  741.6213       165.1730 788.0858       
243.1710 701.8209       225.0587 59.65207 9.709734 55.48576 10.02887 4.166317 
13.95913 
1 1 1 21  9   20 o 25.34047 7.625097  -100.3561      161.5720 -369.4601      
224.7281 187.5905       232.4627 18.49263 9.006844 32.18830 12.30631 -13.69567 
15.25019 
1 1 1 21  9   21 o 62.34633 8.263458  914.0624       210.8523 853.5414       
308.1329 967.3568       289.1519 59.42700 12.71928 65.26566 10.55267 -5.838654 
16.52692 
1 1 1 21  9   22 o 48.27943 8.891660  600.5710       191.9250 356.0774       
295.8055 778.3236       252.2206 39.17426 14.07910 57.38459 10.86395 -18.21033 
17.78332 
1 1 1 21  9   23 o 35.17109 9.310041  269.6538       188.0277 195.7601       
274.3337 335.1218       258.2199 32.86301 13.14711 37.47918 13.18563 -4.616169 
18.62008 
1 1 1 21  9   24 o 33.78321 8.959219  256.7200       172.2250 218.1343       
264.2991 285.1957       227.0488 32.87352 12.98444 34.69291 12.34807 -1.819389 
17.91844 
1 1 1 21  9   25 o 29.95805 8.629232  159.8441       171.3788 213.9306       
213.3400 61.44059       287.7620 31.18454 11.82801 28.73156 12.56793 2.452982 
17.25846 
1 1 1 21  9   26 o 52.13461 8.474695  680.4099       179.9859 520.9572       
229.6272 934.4442       289.8368 44.28749 12.03678 59.98172 11.93305 -15.69423 
16.94939 
1 1 1 21  9   27 o 32.20578 8.526082  128.3914       189.5339 -233.6078      
259.0919 545.1166       277.9873 21.20968 10.16865 43.20189 13.68849 -21.99221 
17.05216 
1 1 1 21  9   28 o 28.67601 8.552588  136.8070       167.4802 69.44686       
205.1799 271.2941       289.9168 24.79590 10.72757 32.55612 13.32315 -7.760221 
17.10518 
1 1 1 21  9   29 o 36.80992 8.143165  389.7838       176.9306 650.6009       
229.1560 4.801035       278.4094 48.31809 11.45586 25.30175 11.57618 23.01634 
16.28633 
1 1 1 21  9   30 o 42.16125 8.316315  407.2995       122.2064 781.9450       
302.4023 334.1730       133.6018 48.51486 14.04371 35.80764 8.911710 12.70722 
16.63263 
1 1 1 21  9   31 o 38.65854 9.011686  389.5600       138.0198 766.2921       
330.3713 309.9055       151.9118 44.33499 14.95609 32.98208 10.05770 11.35291 
18.02337 
1 1 1 21  9   32 o 22.99968 7.553939  36.36208       123.9071 257.3959       
324.5337 -1.356689      134.0631 27.93635 12.69357 18.06302 8.192750 9.873335 
15.10788 
1 1 1 21  9   33 f 20.78131 7.006197  -14.17963      132.1909 138.6175       
301.5375 -50.53129      147.0773 24.50989 11.49975 17.05273 8.006428 7.457165 
14.01239 
1 1 1 21  10  0  o 73.95637 7.438001  1167.146       230.9462 1167.146       
230.9462 0.000000       0.000000 73.95637 7.438001 ?        ?        ? ? 
1 1 1 21  10  1  o 56.23517 5.879461  658.9239       136.4183 584.1006       
174.3137 777.1760       219.1380 52.27489 7.942540 60.19545 8.671119 -7.920563 
11.75892 
1 1 1 21  10  2  o 85.72340 4.610400  1561.345       165.9001 1588.643       
234.1563 1533.830       235.0827 86.48695 6.448761 84.95985 6.590647 1.527092 
9.220799 
1 1 1 21  10  3  o 81.71176 4.467322  1414.951       153.1096 1468.142       
222.5154 1367.122       211.0023 83.15997 6.373336 80.26355 6.261665 2.896423 
8.934644 
1 1 1 21  10  4  o 32.88080 7.470183  224.7584       124.0968 100.6219       
186.4215 323.5393       166.2964 27.70897 10.91747 38.05263 10.19919 -10.34367 
14.94037 
1 1 1 21  10  5  o 42.99056 7.036134  416.4056       130.2836 256.6494       
189.2407 560.3506       179.6321 34.80490 11.31942 51.17622 8.360590 -16.37132 
14.07227 
1 1 1 21  10  6  o 73.66312 4.902693  1150.217       150.9939 1195.334       
225.6856 1113.657       203.1612 74.93251 7.173889 72.39371 6.684378 2.538795 
9.805386 
1 1 1 21  10  7  o 77.36797 4.716783  1272.016       153.1907 1295.074       
216.6794 1248.973       216.6094 78.07746 6.610176 76.65846 6.730359 1.418999 
9.433565 
1 1 1 21  10  8  o 116.1661 4.936228  2849.568       233.0673 2956.073       
383.7132 2787.304       293.3893 117.6897 7.765858 114.6425 6.095642 3.047112 
9.872457 
1 1 1 21  10  9  o 24.46084 7.159508  14.61306       125.1830 -83.58923      
175.0975 117.2864       179.0392 20.91839 9.431815 28.00329 10.77382 -7.084896 
14.31902 
1 1 1 21  10  10 o 50.07114 6.749367  555.1381       137.3505 752.1445       
198.5004 374.1715       190.2482 59.32609 7.969604 40.81619 10.89501 18.50990 
13.49873 
1 1 1 21  10  11 o 67.87399 5.868910  986.3416       165.8463 985.6077       
220.8355 987.2910       251.1650 67.93151 7.743167 67.81647 8.821551 0.1150436 
11.73782 
1 1 1 21  10  12 o 55.99726 7.558999  696.2529       171.9670 424.8465       
234.6647 1011.069       252.7357 43.38573 12.31126 68.60880 8.774206 -25.22308 
15.11800 
1 1 1 21  10  13 o 145.6882 6.104660  4559.786       373.2480 4386.358       
523.0848 4739.683       532.7526 142.8316 8.723062 148.5448 8.542581 -5.713242 
12.20932 
1 1 1 21  10  14 o 28.79112 7.721271  133.6487       131.6150 -4.820307      
229.6096 201.4103       160.6223 26.42624 11.38945 31.15599 10.42845 -4.729755 
15.44254 
1 1 1 21  10  15 o 39.94144 7.765812  365.3273       151.9593 97.23019       
231.6362 567.8810       201.3402 29.58397 11.97850 50.29891 9.886702 -20.71493 
15.53162 
1 1 1 21  10  16 o 41.01875 6.868678  247.6192       139.7289 774.2386       
241.7992 -16.40485      171.2096 59.57478 9.667486 22.46273 9.759850 37.11205 
13.73736 
1 1 1 21  10  17 o 68.71146 6.499885  1041.384       185.2307 908.6257       
270.6334 1158.382       254.0628 64.29868 10.02537 73.12424 8.275624 -8.825562 
12.99977 
1 1 1 21  10  18 o 36.27053 7.578892  250.9480       141.8559 31.17224       
191.3583 519.0648       211.3584 25.10107 10.59106 47.43999 10.84379 -22.33892 
15.15778 
1 1 1 21  10  19 o 39.11751 8.697601  346.0029       157.4230 391.3738       
244.1140 313.7019       205.9735 41.05908 12.79647 37.17594 11.78318 3.883141 
17.39520 
1 1 1 21  10  20 o 32.61890 8.522190  208.3030       154.7033 190.8517       
226.6855 223.5166       211.6541 32.17977 12.19620 33.05803 11.90646 
-0.8782654     17.04438 
1 1 1 21  10  21 o 29.13617 8.411491  105.6217       162.8104 87.87102       
226.7580 124.5092       233.9057 28.39351 11.72684 29.87882 12.06208 -1.485312 
16.82298 
1 1 1 21  10  22 o 64.33858 8.294129  964.4510       217.6724 789.7549       
291.3792 1185.059       327.4366 56.91914 12.53162 71.75803 10.86871 -14.83889 
16.58826 
1 1 1 21  10  23 o 27.25770 8.452619  5.319332       186.4248 49.73580       
257.7678 -43.39185      269.9424 28.12251 12.09327 26.39289 11.81270 1.729624 
16.90524 
1 1 1 21  10  24 o 44.95357 9.199862  517.8239       192.8694 707.0853       
273.7541 331.2908       271.7737 52.79181 12.52400 37.11532 13.47958 15.67649 
18.39972 
1 1 1 21  10  25 o 31.72843 9.112363  189.0711       189.9829 215.6047       
262.3066 159.7940       275.5341 32.41434 12.89352 31.04252 12.88013 1.371822 
18.22473 
1 1 1 21  10  26 o 39.88890 8.486665  367.3253       169.9567 704.4797       
265.3183 132.7037       221.3282 51.59706 12.38634 28.18073 11.60484 23.41633 
16.97333 
1 1 1 21  10  27 o 32.18676 8.838645  209.5547       191.7460 424.0121       
259.7387 -47.30061      284.2565 38.83906 13.26127 25.53447 11.68868 13.30460 
17.67729 
1 1 1 21  10  28 o 56.59489 8.542336  848.6046       201.2095 622.0828       
265.1104 1156.367       309.0151 46.31039 13.06773 66.87939 11.00547 -20.56899 
17.08467 
1 1 1 21  10  29 o 22.24694 7.449774  -145.9912      186.1384 -224.3436      
267.9268 -72.89186      258.7897 21.21411 10.21179 23.27978 10.84970 -2.065676 
14.89955 
1 1 1 21  10  30 o 24.67383 7.596505  94.97282       128.6350 24.09588       
299.4366 111.0132       142.4491 25.85316 11.90226 23.49450 9.442661 2.358662 
15.19301 
1 1 1 21  10  31 o 35.85067 6.744311  414.3084       123.5253 88.95229       
250.0117 519.3819       142.0782 25.30639 11.34626 46.39495 7.294201 -21.08856 
13.48862 
1 1 1 21  10  32 o 32.06099 8.693164  303.9824       135.9292 509.1402       
333.1530 263.0086       148.8855 34.30668 14.19431 29.81529 10.04022 4.491386 
17.38633 
1 1 1 21  10  33 o 29.21192 8.174545  280.6519       132.7849 418.6151       
279.4713 240.4261       150.9063 30.88470 12.90295 27.53914 10.04025 3.345551 
16.34909 
1 1 1 21  11  0  o 42.12224 8.248942  349.5985       152.8960 615.3556       
256.9742 203.9618       190.2316 52.01919 12.00214 32.22529 11.31940 19.79390 
16.49788 
1 1 1 21  11  1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  11  2  o 171.3094 8.381185  6383.680       600.1342 6696.371       
899.4335 6132.756       805.7150 174.8445 12.25288 167.7744 11.43870 7.070038 
16.76237 
1 1 1 21  11  3  o 77.41724 4.670376  1266.161       150.3733 1327.268       
231.1392 1221.317       198.0049 78.97318 6.971322 75.86130 6.216940 3.111877 
9.340753 
1 1 1 21  11  4  o 64.40707 5.212974  884.7197       139.9000 878.5583       
210.7046 889.5775       187.0907 64.14530 7.824025 64.66883 6.890937 
-0.5235291     10.42595 
1 1 1 21  11  5  o 40.43858 7.469060  356.4138       127.7714 447.8923       
198.1480 291.3040       167.1682 44.61805 10.69994 36.25911 10.42395 8.358936 
14.93812 
1 1 1 21  11  6  o 165.2889 6.231187  5861.869       432.1581 6030.074       
607.6400 5689.705       614.7499 167.7621 8.627274 162.8158 8.993382 4.946304 
12.46237 
1 1 1 21  11  7  o 38.41821 7.910574  321.4043       137.1320 411.0717       
201.0220 243.3559       187.5463 42.73147 11.10526 34.10495 11.26863 8.626514 
15.82115 
1 1 1 21  11  8  o 126.1692 5.086757  3403.046       267.0396 3499.017       
357.7333 3282.267       401.3149 128.3190 6.640328 124.0194 7.707558 4.299622 
10.17351 
1 1 1 21  11  9  o 56.27314 6.094428  679.3356       139.0183 548.7880       
186.7273 841.6789       208.2286 49.77478 9.281031 62.77151 7.901308 -12.99673 
12.18886 
1 1 1 21  11  10 o 144.3613 5.133566  4473.200       304.1350 4606.814       
394.3427 4277.050       477.7956 147.2864 6.377230 141.4361 8.046424 5.850327 
10.26713 
1 1 1 21  11  11 o 119.9992 6.181289  3091.547       311.2898 3170.024       
438.5067 3011.824       441.9743 121.5799 8.590840 118.4186 8.889928 3.161285 
12.36258 
1 1 1 21  11  12 o 42.10209 8.251676  387.6274       159.5876 212.1306       
221.4318 577.3074       230.2057 33.64160 12.17225 50.56257 11.14437 -16.92097 
16.50335 
1 1 1 21  11  13 o 49.18083 8.123654  548.4359       165.1142 612.2111       
236.8687 488.1571       230.2840 52.03926 11.16384 46.32240 11.80439 5.716858 
16.24731 
1 1 1 21  11  14 o 102.6894 5.531644  2209.594       230.6200 2458.536       
386.0995 2071.513       287.5517 106.8606 8.606029 98.51829 6.952166 8.342293 
11.06329 
1 1 1 21  11  15 o 104.1016 4.486441  2319.045       195.2149 2115.623       
279.9268 2511.646       272.3791 99.54958 6.697706 108.6537 5.971043 -9.104141 
8.972882 
1 1 1 21  11  16 o 60.13789 6.875234  789.3195       168.4932 943.4854       
252.9911 666.4268       225.8780 65.90434 9.143498 54.37145 10.26995 11.53289 
13.75047 
1 1 1 21  11  17 o 42.04026 7.246739  391.4150       166.4310 -93.80602      
255.6002 748.5637       219.2885 25.42995 11.43463 58.65058 8.905630 -33.22063 
14.49348 
1 1 1 21  11  18 o 28.25796 8.172835  83.97364       153.6924 92.62341       
227.7398 76.73957       208.2706 28.98260 11.82581 27.53333 11.28411 1.449265 
16.34567 
1 1 1 21  11  19 o 33.38061 8.555253  213.3378       154.9431 291.5388       
235.0299 153.2256       206.0619 36.63636 12.60906 30.12486 11.56638 6.511497 
17.11051 
1 1 1 21  11  20 o 21.71885 7.093603  -144.0300      149.6261 -113.3018      
229.3636 -166.7946      197.4180 23.28315 10.60379 20.15454 9.425314 3.128616 
14.18721 
1 1 1 21  11  21 o 47.40785 9.561293  547.9698       199.2449 570.1301       
293.1946 528.9545       271.5934 48.18787 13.78917 46.62784 13.24885 1.560028 
19.12259 
1 1 1 21  11  22 o 72.36592 7.196599  1190.294       207.3376 1193.101       
256.7724 1185.033       351.4792 73.39477 8.333055 71.33708 11.73560 2.057686 
14.39320 
1 1 1 21  11  23 o 34.34649 8.790648  261.5385       167.5049 336.1895       
213.1180 140.8945       270.9289 37.43061 11.99820 31.26236 12.85088 6.168249 
17.58130 
1 1 1 21  11  24 o 26.45866 8.249439  -46.45092      189.1282 136.3810       
257.6219 -260.1729      278.5360 30.31752 12.50849 22.59981 10.75875 7.717710 
16.49888 
1 1 1 21  11  25 o 36.30970 9.535111  318.1329       193.3748 286.4183       
263.6207 355.0753       284.5201 34.97387 13.18247 37.64553 13.78027 -2.671661 
19.07022 
1 1 1 21  11  26 o 60.22675 7.259489  863.5606       172.1103 813.5454       
213.8722 955.4714       289.9258 59.22139 8.601949 61.23209 11.69646 -2.010700 
14.51898 
1 1 1 21  11  27 o 24.78328 7.765806  20.69809       156.9603 26.27281       
199.2724 11.58629       254.7640 23.82562 10.43994 25.74093 11.49951 -1.915316 
15.53161 
1 1 1 21  11  28 o 26.93336 7.958132  34.62343       173.0246 -266.3219      
252.6461 300.4502       237.4479 20.29115 9.802504 33.57558 12.53947 -13.28442 
15.91626 
1 1 1 21  11  29 o 31.34957 8.903289  248.0696       185.0669 126.7992       
284.0349 337.5340       243.9605 28.37739 12.44905 34.32175 12.73167 -5.944366 
17.80658 
1 1 1 21  11  30 o 35.89434 8.885668  297.9022       131.9800 622.9208       
323.4304 232.9692       144.5638 42.11752 14.76281 29.67116 9.893425 12.44636 
17.77134 
1 1 1 21  11  31 o 52.59361 7.955063  546.6072       138.7301 1361.192       
346.6829 391.2963       151.3788 67.04158 12.77625 38.14564 9.481536 28.89594 
15.91013 
1 1 1 21  11  32 o 38.92723 8.051677  479.6521       127.5103 481.2039       
314.9171 479.3478       139.4530 34.61199 13.98637 43.24248 7.981185 -8.630493 
16.10335 
1 1 1 21  11  33 o 20.15011 6.619664  14.08895       122.1830 -36.82387      
249.8430 30.09266       140.0761 21.22556 10.13020 19.07466 8.524021 2.150904 
13.23933 
1 1 1 21  12  0  o 150.2045 6.275072  4873.943       366.9832 4819.726       
651.8997 4899.096       444.0235 148.8609 10.43088 151.5480 6.978737 -2.687088 
12.55014 
1 1 1 21  12  1  o 32.47915 8.365586  150.3332       146.7349 329.9802       
249.7687 55.65290       181.3251 39.28037 13.00427 25.67793 10.52716 13.60243 
16.73117 
1 1 1 21  12  2  o 27.73315 10.83778  107.0487       182.6479 0.000000       
0.000000 107.0487       182.6479 ?        ?        27.73315 10.83778 ? ? 
1 1 1 21  12  3  f 98.00070 9.101861  2064.881       374.4884 2064.881       
374.4884 0.000000       0.000000 98.00070 9.101861 ?        ?        ? ? 
1 1 1 21  12  4  o 31.78245 8.200326  133.0200       146.9451 11.20639       
187.3225 327.9026       236.9346 24.52970 10.42039 39.03521 12.66479 -14.50550 
16.40065 
1 1 1 21  12  5  o 54.36589 6.475816  654.9160       139.0533 407.0632       
191.0909 933.8712       202.7265 42.53096 10.70242 66.20081 7.294042 -23.66985 
12.95163 
1 1 1 21  12  6  o 27.25603 7.387261  99.11072       124.5671 -12.04737      
187.6285 186.7216       166.5740 23.82205 10.28173 30.69002 10.61002 -6.867968 
14.77452 
1 1 1 21  12  7  o 77.29418 4.967296  1261.902       160.1044 1193.309       
212.2486 1352.461       243.8750 74.91669 6.748191 79.67167 7.290956 -4.754974 
9.934592 
1 1 1 21  12  8  o 72.84259 4.699144  1118.005       142.9651 977.6215       
193.0383 1288.547       212.7645 67.80326 6.781314 77.88193 6.507042 -10.07867 
9.398288 
1 1 1 21  12  9  o 36.08264 6.879005  262.4400       126.7261 512.1227       
179.4103 13.82657       179.0258 48.06036 9.220560 24.10492 10.21098 23.95543 
13.75801 
1 1 1 21  12  10 o 37.77617 8.312300  309.9731       146.2712 352.4207       
210.1737 270.1018       203.6958 39.81571 11.76694 35.73664 11.74378 4.079071 
16.62460 
1 1 1 21  12  11 o 129.1117 5.977617  3560.980       321.1992 3479.965       
424.9971 3668.893       490.5005 127.5650 7.935518 130.6584 8.941765 -3.093338 
11.95523 
1 1 1 21  12  12 o 73.05684 5.999136  1087.935       178.2190 786.4473       
227.1946 1570.215       287.3513 60.46561 8.949742 85.64807 7.991286 -25.18246 
11.99827 
1 1 1 21  12  13 o 88.16013 5.098830  1656.043       187.8871 1691.233       
280.3871 1627.364       253.1245 88.94678 7.508425 87.37347 6.900422 1.573303 
10.19766 
1 1 1 21  12  14 f 92.71309 5.244536  1843.653       203.5167 1694.126       
289.4461 1989.858       286.2133 88.90430 7.754716 96.52188 7.062933 -7.617577 
10.48907 
1 1 1 21  12  15 o 74.37724 6.096844  1228.453       184.1785 1011.077       
281.7418 1390.668       243.3834 68.15264 9.846675 80.60184 7.192289 -12.44920 
12.19369 
1 1 1 21  12  16 o 109.7994 5.664606  2590.074       258.1129 2654.781       
398.1852 2543.181       338.9755 110.7743 8.561839 108.8245 7.419295 1.949806 
11.32921 
1 1 1 21  12  17 o 30.82379 7.679292  159.6214       138.6221 318.1996       
187.3978 -32.00739      206.0028 37.50653 11.11785 24.14105 10.59621 13.36547 
15.35858 
1 1 1 21  12  18 o 24.86981 7.429368  30.45265       132.4245 -56.89258      
223.2743 77.85174       164.4766 24.41805 10.84315 25.32157 10.15914 
-0.9035282     14.85874 
1 1 1 21  12  19 o 75.33891 5.942032  1239.597       187.7412 1208.413       
269.5062 1268.995       261.6790 74.33744 8.635397 76.34038 8.164614 -2.002937 
11.88406 
1 1 1 21  12  20 o 23.68490 7.516154  -76.96145      153.0506 -28.01809      
238.7766 -111.0930      199.3990 25.84379 11.37539 21.52601 9.827044 4.317774 
15.03231 
1 1 1 21  12  21 o 59.39923 8.681641  839.7866       209.2893 813.2913       
292.5196 867.5735       299.5657 58.38465 12.31740 60.41381 12.23785 -2.029163 
17.36328 
1 1 1 21  12  22 o 38.57155 9.585620  340.4635       192.9645 309.8537       
270.7625 372.0561       275.0746 37.35340 13.46545 39.78970 13.64617 -2.436302 
19.17124 
1 1 1 21  12  23 o 56.59924 8.568108  782.1843       201.8926 959.6939       
283.9267 600.6353       287.1390 64.49944 10.48507 48.69904 13.55408 15.80040 
17.13622 
1 1 1 21  12  24 o 61.30656 8.027502  911.2510       200.6902 1030.829       
280.4153 785.6860       287.3493 66.67698 10.01721 55.93614 12.54666 10.74084 
16.05500 
1 1 1 21  12  25 o 51.89399 8.931890  703.5410       195.4037 839.2376       
270.5568 555.5828       282.5162 58.13766 11.49364 45.65031 13.67519 12.48735 
17.86378 
1 1 1 21  12  26 f 22.73399 7.463731  -134.0300      172.1715 -229.2858      
242.9099 -37.86305      244.0688 20.89035 9.974598 24.57763 11.10570 -3.687283 
14.92746 
1 1 1 21  12  27 o 71.99760 6.882370  1253.490       206.2635 1079.859       
289.6381 1432.155       293.8079 66.24621 10.41395 77.74899 9.000979 -11.50278 
13.76474 
1 1 1 21  12  28 o 32.54621 8.943563  242.1174       180.7571 406.8106       
270.2928 108.8740       243.1193 37.62911 13.46477 27.46331 11.77494 10.16580 
17.88713 
1 1 1 21  12  29 o 29.11775 7.529363  220.3960       130.9489 -100.1031      
300.4479 295.5559       145.4953 24.49588 11.49061 33.73962 9.732986 -9.243740 
15.05873 
1 1 1 21  12  30 o 35.26791 8.629496  335.0961       133.1210 425.6291       
320.7645 316.2587       146.3164 36.00233 14.27775 34.53349 9.696327 1.468842 
17.25899 
1 1 1 21  12  31 o 26.81614 8.142312  114.1023       131.2991 309.6990       
307.4279 70.46474       145.2086 31.83731 13.42830 21.79496 9.212481 10.04234 
16.28462 
1 1 1 21  12  32 o 49.15743 7.804813  613.2501       138.6510 947.1093       
288.6555 513.1198       158.0814 54.26476 12.85199 44.05010 8.859276 10.21466 
15.60963 
1 1 1 21  12  33 o 35.15240 7.183778  444.2431       129.2054 201.1706       
263.9804 520.8187       148.1662 26.25107 11.71711 44.05373 8.314801 -17.80266 
14.36756 
1 1 1 21  12  34 o 28.24979 8.000435  274.8524       135.1026 345.6689       
261.4020 249.0410       157.8149 28.90903 12.29601 27.59055 10.23894 1.318483 
16.00087 
1 1 1 21  13  0  o 133.9144 6.523657  3823.523       356.4474 4120.595       
585.3492 3648.440       449.3734 137.5746 10.13439 130.2541 8.217448 7.320511 
13.04731 
1 1 1 21  13  1  o 85.72589 5.570417  1443.134       188.1282 1973.978       
346.9680 1222.088       223.8967 95.78065 8.628448 75.67113 7.047557 20.10952 
11.14083 
1 1 1 21  13  2  o 97.70764 5.889022  1946.310       231.6470 2411.875       
402.2566 1715.312       283.3457 105.8225 9.054119 89.59276 7.532945 16.22976 
11.77804 
1 1 1 21  13  3  o 80.04876 6.221037  1366.264       203.7034 1424.456       
330.0457 1330.456       258.8984 81.22012 9.679025 78.87740 7.818038 2.342712 
12.44207 
1 1 1 21  13  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  13  5  o 47.83155 9.575009  530.4874       205.0602 386.4336       
316.3418 634.8853       269.3023 42.83273 14.63508 52.83036 12.35061 -9.997631 
19.15002 
1 1 1 21  13  6  o 37.26520 7.570583  310.4673       125.5472 261.0178       
185.6025 352.1788       170.4631 34.91083 11.19755 39.61956 10.19165 -4.708729 
15.14117 
1 1 1 21  13  7  o 45.08963 6.957710  451.8719       127.8730 404.4041       
173.9276 507.7142       188.6472 42.47187 9.923229 47.70740 9.755430 -5.235535 
13.91542 
1 1 1 21  13  8  o 43.81682 6.480952  433.5468       128.3999 772.6667       
182.5220 101.3033       180.6620 60.21596 7.219794 27.41768 10.76501 32.79828 
12.96190 
1 1 1 21  13  9  o 113.1936 5.203999  2728.656       246.1550 2695.780       
331.6105 2769.003       367.3592 112.5148 7.020040 113.8725 7.684105 -1.357620 
10.40800 
1 1 1 21  13  10 o 72.52068 5.850755  1124.390       177.9697 1072.942       
245.5310 1181.342       258.3310 70.77804 8.262832 74.26331 8.285585 -3.485275 
11.70151 
1 1 1 21  13  11 o 123.9154 5.517637  3329.956       280.5488 3546.450       
367.8179 3028.808       433.8112 129.0751 6.787526 118.7557 8.700964 10.31940 
11.03527 
1 1 1 21  13  12 o 104.3740 5.430031  2339.639       236.4305 2440.572       
321.3725 2220.560       349.0683 106.9641 7.156357 101.7839 8.168692 5.180176 
10.86006 
1 1 1 21  13  13 o 57.75777 6.116095  708.4932       139.3481 475.7383       
182.8006 1031.365       215.2996 46.05077 9.753261 69.46476 7.382436 -23.41399 
12.23219 
1 1 1 21  13  14 o 31.38572 7.809996  93.32828       149.4384 389.6359       
226.9157 -133.6042      198.5827 41.53857 12.21093 21.23288 9.740500 20.30569 
15.61999 
1 1 1 21  13  15 o 46.98173 7.897602  487.4843       153.9884 657.2790       
237.5766 364.4713       202.2168 53.86553 10.88630 40.09793 11.44451 13.76759 
15.79520 
1 1 1 21  13  16 o 75.80202 5.638796  1244.247       178.5518 1128.434       
256.1081 1353.774       249.0601 72.23338 8.445132 79.37065 7.474210 -7.137276 
11.27759 
1 1 1 21  13  17 o 29.91659 8.224023  114.4195       152.4667 234.5930       
227.1153 15.82967       205.7112 34.33534 12.33693 25.49784 10.87835 8.837500 
16.44805 
1 1 1 21  13  18 o 47.68980 7.968868  526.3927       156.6565 533.0644       
232.8573 520.8762       211.7372 47.84265 11.67893 47.53695 10.84500 0.3056946 
15.93774 
1 1 1 21  13  19 o 51.33970 7.597586  608.3815       157.8830 599.1283       
234.7395 616.0254       213.3506 50.74849 11.31015 51.93090 10.14760 -1.182415 
15.19517 
1 1 1 21  13  20 o 25.65199 7.795190  14.63841       150.5401 4.687232       
226.8993 22.46315       201.2014 26.07957 11.28198 25.22440 10.75997 0.8551693 
15.59038 
1 1 1 21  13  21 o 44.64439 8.557965  393.3761       183.1697 110.9641       
232.9030 851.2798       296.5655 29.44578 11.97773 59.84301 12.22658 -30.39723 
17.11593 
1 1 1 21  13  22 o 31.90982 8.872877  98.28111       193.2954 -145.8338      
269.3466 357.5114       277.5602 24.55777 11.29853 39.26188 13.68411 -14.70412 
17.74575 
1 1 1 21  13  23 o 36.92777 9.562272  302.1014       194.5606 246.0508       
265.9033 366.6884       285.4343 34.58468 13.17939 39.27086 13.85828 -4.686184 
19.12454 
1 1 1 21  13  24 f 34.94791 8.896615  277.2982       163.5801 300.9790       
264.4069 262.6140       208.2093 36.13510 13.27872 33.76072 11.84376 2.374382 
17.79323 
1 1 1 21  13  25 o 99.15506 7.130733  2319.152       295.3075 2223.420       
432.8803 2402.488       403.8818 96.59234 10.67447 101.7178 9.457547 -5.125435 
14.26147 
1 1 1 21  13  26 o 33.70946 8.619202  263.2963       153.6277 347.1494       
248.7650 211.6003       195.3252 36.76122 12.94107 30.65770 11.38820 6.103519 
17.23840 
1 1 1 21  13  27 o 26.24355 8.204349  32.16364       177.9887 23.95444       
259.7885 39.42604       244.3486 26.34056 11.69663 26.14655 11.50801 0.1940098 
16.40870 
1 1 1 21  13  28 f 53.76057 7.772280  742.8653       130.6877 743.5444       
317.2379 742.7265       143.4231 49.80073 14.37376 57.72041 5.918487 -7.919678 
15.54456 
1 1 1 21  13  29 o 37.07255 8.483642  372.9318       135.0761 394.4956       
307.4175 367.7726       150.3692 36.23686 14.08096 37.90823 9.466530 -1.671375 
16.96728 
1 1 1 21  13  30 o 31.33517 8.413482  107.2835       130.5510 624.0566       
307.2890 -6.535584      144.2131 43.24595 14.42416 19.42440 8.665476 23.82155 
16.82696 
1 1 1 21  13  31 o 27.70394 8.304168  66.53347       117.3327 490.8810       
325.1971 3.024190       125.8069 36.94761 14.45664 18.46027 8.175728 18.48733 
16.60834 
1 1 1 21  13  32 o 28.09790 7.995260  181.5134       132.1384 361.6682       
250.6624 112.1829       155.4993 32.81558 12.72243 23.38023 9.686922 9.435350 
15.99052 
1 1 1 21  13  33 o 19.31080 6.378559  -38.26896      123.2269 13.97695       
203.8615 -68.34889      154.6848 21.22264 9.789849 17.39897 8.179420 3.823669 
12.75712 
1 1 1 21  13  34 o 27.58768 7.782068  270.7863       140.2836 187.8846       
259.6406 304.9647       166.7120 25.14933 11.40444 30.02603 10.59155 -4.876705 
15.56414 
1 1 1 21  14  0  o 40.24023 7.985168  376.5731       139.4650 299.7671       
234.3238 418.7059       173.5519 37.44122 12.59578 43.03924 9.818248 -5.598015 
15.97034 
1 1 1 21  14  1  o 41.57970 8.194213  397.5823       145.7263 349.2318       
245.1436 424.0053       181.2222 39.85491 12.87750 43.30448 10.13659 -3.449574 
16.38843 
1 1 1 21  14  2  o 76.78671 5.781422  1267.635       185.7808 1248.199       
272.6187 1284.486       253.8515 76.16086 8.525990 77.41257 7.810689 -1.251709 
11.56284 
1 1 1 21  14  3  o 119.1714 5.613145  3006.919       274.3365 3208.031       
443.5346 2882.307       349.1325 122.1349 8.649852 116.2078 7.156093 5.927124 
11.22629 
1 1 1 21  14  4  o 26.97745 8.142069  5.205263       165.2275 -143.7173      
272.6429 91.64488       207.7162 25.57402 11.62403 28.38089 11.40417 -2.806866 
16.28414 
1 1 1 21  14  5  o 46.62635 13.12854  494.8593       267.8651 0.000000       
0.000000 494.8593       267.8651 ?        ?        46.62635 13.12854 ? ? 
1 1 1 21  14  6  o 69.11063 8.837076  1026.318       256.4085 1026.318       
256.4085 0.000000       0.000000 69.11063 8.837076 ?        ?        ? ? 
1 1 1 21  14  7  o 51.76852 7.537240  556.4991       151.1528 461.5090       
183.0332 760.2020       268.0338 45.38214 9.881530 58.15490 11.38399 -12.77276 
15.07448 
1 1 1 21  14  8  o 44.61297 7.016856  444.0547       136.1182 220.5933       
190.7457 675.9310       194.3040 33.05150 11.36077 56.17443 8.238803 -23.12293 
14.03371 
1 1 1 21  14  9  o 108.0297 4.509200  2460.978       203.1484 2639.732       
309.3450 2325.433       269.3750 111.4026 6.614073 104.6568 6.130709 6.745720 
9.018400 
1 1 1 21  14  10 o 44.21561 7.405157  420.8212       157.7609 92.97078       
221.7413 756.8788       224.4996 29.12353 11.74958 59.30768 9.016244 -30.18415 
14.81031 
1 1 1 21  14  11 o 51.85314 7.747684  607.5408       163.3961 647.3503       
227.4398 565.0790       234.8944 53.77893 10.44620 49.92734 11.44480 3.851593 
15.49537 
1 1 1 21  14  12 o 79.36137 5.387296  1363.749       177.1565 1159.896       
257.0702 1548.121       244.4780 73.49825 8.330976 85.22449 6.832764 -11.72624 
10.77459 
1 1 1 21  14  13 o 36.58452 8.317945  270.8370       146.5385 399.2878       
227.8660 180.2508       191.3559 42.02430 12.19908 31.14474 11.31085 10.87956 
16.63589 
1 1 1 21  14  14 o 43.86795 7.251964  440.9063       153.1317 87.03088       
225.3626 744.4337       208.7159 28.96329 11.78198 58.77261 8.458663 -29.80932 
14.50393 
1 1 1 21  14  15 o 30.68598 8.338773  145.0637       150.4566 197.4662       
227.8175 104.5273       200.3707 33.03249 12.29328 28.33947 11.27012 4.693027 
16.67755 
1 1 1 21  14  16 o 39.83412 8.241453  361.3300       154.8040 202.9185       
229.0959 494.4341       210.0002 33.20379 12.33356 46.46445 10.93478 -13.26067 
16.48291 
1 1 1 21  14  17 f 67.22275 6.450914  1045.319       165.6441 665.4799       
239.9864 1390.927       228.9177 53.92071 10.98212 80.52479 6.771282 -26.60408 
12.90183 
1 1 1 21  14  18 o 66.56633 6.535989  953.7172       171.5216 1377.812       
265.7221 650.8002       224.5732 79.71629 7.939655 53.41636 10.38453 26.29993 
13.07198 
1 1 1 21  14  19 o 44.20607 7.816256  454.1754       144.1610 451.0853       
193.3498 458.0437       216.3289 44.15524 10.55736 44.25690 11.52899 
-0.1016655     15.63251 
1 1 1 21  14  20 f 48.27347 7.476656  532.8301       151.8234 706.5248       
219.7033 374.0732       210.0437 56.52822 9.257472 40.01871 11.74312 16.50951 
14.95331 
1 1 1 21  14  21 o 56.00593 6.839341  721.9672       154.4058 831.3876       
211.8561 597.9899       225.5084 61.52412 8.201941 50.48774 10.94689 11.03638 
13.67868 
1 1 1 21  14  22 o 40.40718 9.686264  386.8017       195.7431 388.2128       
284.9137 385.5403       269.3839 40.52131 13.88895 40.29306 13.50525 0.2282524 
19.37253 
1 1 1 21  14  23 o 34.42984 9.183745  245.9592       182.8090 188.6289       
268.4285 295.5501       249.6534 32.73616 13.03633 36.12351 12.93904 -3.387352 
18.36749 
1 1 1 21  14  24 o 35.41464 9.150436  285.4535       177.5406 315.6726       
255.9318 257.4219       246.4946 36.59769 13.10154 34.23159 12.77777 2.366104 
18.30087 
1 1 1 21  14  25 o 31.24757 8.540819  156.4673       171.8220 352.5659       
248.2199 -23.94153      238.0829 37.53679 12.95426 24.95835 11.13416 12.57844 
17.08164 
1 1 1 21  14  26 o 30.95228 8.595898  166.0139       171.6350 333.5674       
250.6546 18.09628       235.5097 36.28574 12.96817 25.61883 11.28647 10.66691 
17.19180 
1 1 1 21  14  27 o 27.75492 8.293527  72.04173       178.8297 -137.4524      
268.7213 238.5705       239.5857 23.44900 10.97567 32.06086 12.43644 -8.611860 
16.58705 
1 1 1 21  14  28 o 27.02394 7.388158  154.6952       128.3287 -204.6617      
295.5608 238.1788       142.4572 23.19466 11.05763 30.85322 9.801447 -7.658560 
14.77632 
1 1 1 21  14  29 o 27.80972 8.047047  158.0538       129.1137 114.1311       
308.6840 167.3676       142.1453 28.92811 12.80980 26.69134 9.743144 2.236771 
16.09409 
1 1 1 21  14  30 o 23.05569 7.247618  42.10224       130.9555 -182.6084      
299.9026 95.04250       145.5665 22.95279 10.98887 23.15858 9.452859 
-0.2057953     14.49524 
1 1 1 21  14  31 o 28.08182 7.645893  207.7256       136.2173 -25.85223      
282.1358 278.7230       155.5477 24.35674 11.34268 31.80689 10.25584 -7.450155 
15.29179 
1 1 1 21  14  32 o 20.10297 6.630000  -28.59222      114.7793 -26.10427      
247.9381 -29.27085      129.4905 22.74098 10.60679 17.46497 7.957615 5.276014 
13.26000 
1 1 1 21  14  33 o 22.42554 7.211920  -8.509449      136.6281 246.9760       
248.0135 -119.8265      163.7092 27.93358 11.93191 16.91750 8.104115 11.01608 
14.42384 
1 1 1 21  14  34 o 17.31831 6.035534  -163.2349      124.8590 -80.56538      
252.0487 -190.1192      143.7345 20.37195 9.830414 14.26466 7.005260 6.107290 
12.07107 
1 1 1 21  15  0  o 41.79422 7.937624  413.6982       141.8488 315.5594       
237.1811 468.3467       176.9902 38.05256 12.67234 45.53588 9.562176 -7.483326 
15.87525 
1 1 1 21  15  1  o 44.92792 8.287535  440.3802       156.3409 595.4928       
252.4430 343.8716       199.1236 50.84128 12.00453 39.01456 11.42909 11.82671 
16.57507 
1 1 1 21  15  2  o 78.14355 6.125033  1235.664       192.2536 1615.083       
337.2569 1053.016       233.9963 86.30170 9.308132 69.98540 7.963842 16.31631 
12.25007 
1 1 1 21  15  3  o 40.71656 7.724249  397.0917       154.0100 72.59940       
250.1530 595.1657       195.4418 29.73100 12.30034 51.70213 9.346530 -21.97113 
15.44850 
1 1 1 21  15  4  o 79.08326 6.139768  1339.346       203.2722 1242.964       
275.3147 1454.850       301.3925 75.98490 8.630246 82.18162 8.735321 -6.196716 
12.27954 
1 1 1 21  15  5  o 37.97846 9.369905  294.2365       183.5537 301.2668       
247.8299 285.6940       273.1871 37.98137 12.95370 37.97556 13.54187 
0.5809784E-02  18.73981 
1 1 1 21  15  6  o 61.71423 7.873607  763.1992       191.5568 560.0613       
233.1820 1184.806       335.9335 49.68979 11.41164 73.73866 10.85124 -24.04888 
15.74721 
1 1 1 21  15  7  o 67.56841 8.647594  981.2041       245.3115 0.000000       
0.000000 981.2041       245.3115 ?        ?        67.56841 8.647594 ? ? 
1 1 1 21  15  8  o 48.59835 7.440664  546.4293       148.8949 392.1528       
229.3386 658.8397       195.7630 41.79339 12.27280 55.40332 8.416199 -13.60993 
14.88133 
1 1 1 21  15  9  o 129.3661 5.411472  3565.792       288.7806 3509.480       
373.8264 3649.128       454.7612 128.3156 6.939236 130.4167 8.305608 -2.101059 
10.82294 
1 1 1 21  15  10 o 46.59695 7.770476  491.7024       149.8604 442.1392       
210.5139 542.6266       213.3847 44.14961 11.30749 49.04428 10.66123 -4.894665 
15.54095 
1 1 1 21  15  11 o 67.93404 5.953283  993.0912       167.1179 999.6479       
218.4284 983.8347       259.5319 68.34852 7.612038 67.51957 9.155500 0.8289490 
11.90657 
1 1 1 21  15  12 o 22.31598 7.072144  -84.02907      138.8172 -167.6758      
208.4749 -17.39867      186.0653 21.15487 9.812411 23.47710 10.18712 -2.322237 
14.14429 
1 1 1 21  15  13 o 26.09316 7.652714  35.23412       142.4032 -79.08548      
217.3559 121.2071       188.4915 23.71472 10.60730 28.47160 11.03365 -4.756884 
15.30543 
1 1 1 21  15  14 o 61.03704 6.365849  802.6166       162.5346 904.5927       
238.6079 714.3373       222.0062 64.68008 8.786893 57.39400 9.213395 7.286087 
12.73170 
1 1 1 21  15  15 o 49.21828 7.712105  556.4582       155.4340 484.6977       
225.0107 621.9553       214.9669 45.89875 11.65182 52.53781 10.10650 -6.639057 
15.42421 
1 1 1 21  15  16 o 85.00409 5.400647  1555.703       191.9455 1569.398       
285.0762 1544.347       259.6113 85.25034 7.965002 84.75784 7.295663 0.4925079 
10.80129 
1 1 1 21  15  17 o 57.09460 6.975827  719.1077       163.1337 817.2131       
244.8534 640.7996       218.7575 61.04070 9.554496 53.14851 10.16663 7.892193 
13.95165 
1 1 1 21  15  18 o 35.67895 8.433455  275.4083       152.2081 185.0863       
222.1357 355.3455       208.9759 32.03601 12.09327 39.32188 11.75778 -7.285870 
16.86691 
1 1 1 21  15  19 o 41.47862 7.075480  368.9628       160.4903 -81.41296      
237.0591 750.0546       218.0640 24.49796 11.01402 58.45929 8.884879 -33.96133 
14.15096 
1 1 1 21  15  20 o 64.46475 6.076667  890.4540       162.4155 1079.828       
254.3608 760.0947       211.0383 70.09228 8.643727 58.83722 8.543389 11.25505 
12.15333 
1 1 1 21  15  21 o 50.68613 7.587420  593.4543       156.0444 690.6213       
234.4543 516.1819       209.0794 54.49683 10.62641 46.87542 10.83307 7.621403 
15.17484 
1 1 1 21  15  22 o 57.17548 7.733391  718.1183       178.6338 527.5865       
226.0375 1035.060       291.5322 46.87783 11.54588 67.47314 10.29145 -20.59530 
15.46678 
1 1 1 21  15  23 o 54.11296 8.007811  682.6948       172.0296 810.2842       
281.5904 606.7192       217.2938 57.70612 12.01909 50.51979 10.58497 7.186333 
16.01562 
1 1 1 21  15  24 o 33.49345 8.975438  237.0285       175.3780 178.3610       
258.2238 287.2611       238.9409 31.73888 12.73115 35.24802 12.65511 -3.509136 
17.95088 
1 1 1 21  15  25 o 42.04379 9.173185  449.0959       178.7634 559.8973       
269.5176 362.0627       238.8675 46.17140 13.22343 37.91618 12.71732 8.255222 
18.34637 
1 1 1 21  15  26 o 41.55577 8.223082  405.5244       160.5499 193.8932       
208.8418 711.3250       251.0423 30.23284 11.63509 52.87869 11.62329 -22.64585 
16.44616 
1 1 1 21  15  27 o 30.76439 8.195319  199.3651       118.4340 249.4703       
291.5254 189.4609       129.6118 33.25899 13.44979 28.26980 9.367835 4.989195 
16.39064 
1 1 1 21  15  28 o 23.65212 7.538928  10.03354       126.5652 32.09976       
293.8799 5.008800       140.2369 27.31996 12.27397 19.98428 8.757365 7.335684 
15.07786 
1 1 1 21  15  29 o 34.09309 7.225751  353.2585       134.8412 -109.1478      
311.0999 460.2233       149.6265 24.85766 11.66612 43.32852 8.529214 -18.47086 
14.45150 
1 1 1 21  15  30 o 23.16285 7.318176  36.51869       133.2719 -86.45738      
283.3143 71.46321       151.0246 23.85345 11.18367 22.47225 9.441846 1.381208 
14.63635 
1 1 1 21  15  31 o 38.58392 7.788010  375.5690       126.7157 608.7938       
228.1309 271.5072       152.3851 45.64909 11.81494 31.51875 10.14986 14.13035 
15.57602 
1 1 1 21  15  32 o 44.22080 7.621996  610.0786       145.9374 417.6290       
254.0841 704.8230       178.2773 35.11013 12.99933 53.33147 7.962206 -18.22134 
15.24399 
1 1 1 21  15  33 o 44.05852 8.199488  545.4816       141.7879 834.2917       
270.5118 436.0813       166.4904 49.58836 12.88027 38.52868 10.15013 11.05969 
16.39898 
1 1 1 21  15  34 o 25.90550 7.637744  213.6847       136.1881 171.2808       
259.6661 229.7748       159.9529 24.97702 11.35037 26.83398 10.22299 -1.856958 
15.27549 
1 1 1 21  16  0  o 120.2285 5.990888  3133.372       300.5378 3205.514       
452.6939 3076.518       401.8784 121.2563 8.892447 119.2006 8.030400 2.055687 
11.98178 
1 1 1 21  16  1  o 29.06197 8.519427  70.47680       160.3970 107.0936       
284.0370 53.33303       194.3516 32.00893 13.15798 26.11502 10.82543 5.893911 
17.03885 
1 1 1 21  16  2  o 75.58260 6.797412  1232.509       200.1342 1283.257       
359.3298 1209.686       240.9700 76.17730 11.23540 74.98790 7.654079 1.189400 
13.59482 
1 1 1 21  16  3  o 32.77523 8.489496  184.3484       149.5656 278.9980       
246.8088 129.4174       188.0225 36.82621 12.89726 28.72425 11.04296 8.101957 
16.97899 
1 1 1 21  16  4  o 86.37245 5.709412  1585.622       205.6680 1439.175       
272.4439 1779.650       313.5948 81.82832 7.930391 90.91659 8.215742 -9.088272 
11.41882 
1 1 1 21  16  5  o 109.5255 6.303216  2573.206       274.2886 2535.621       
336.5191 2647.596       473.4387 108.8324 7.364996 110.2186 10.23127 -1.386223 
12.60643 
1 1 1 21  16  6  o 46.61793 9.048183  444.7415       176.9758 319.9347       
215.4178 703.8835       310.4070 38.12810 12.04676 55.10777 13.50385 -16.97967 
18.09637 
1 1 1 21  16  7  o 65.23656 6.136109  898.9373       166.0039 1122.639       
253.6780 731.3993       219.5357 72.25679 8.362290 58.21633 8.982173 14.04046 
12.27222 
1 1 1 21  16  8  o 39.00945 8.761657  332.0154       160.5860 365.9865       
238.8572 303.9954       216.9290 40.57579 12.66037 37.44310 12.11535 3.132690 
17.52331 
1 1 1 21  16  9  o 104.1263 8.161315  2328.510       356.7792 2328.510       
356.7792 0.000000       0.000000 104.1263 8.161315 ?        ?        ? ? 
1 1 1 21  16  10 o 41.42151 8.707449  363.8623       168.1476 548.1012       
254.3826 220.9001       224.0822 48.87146 12.37855 33.97156 12.24949 14.89990 
17.41490 
1 1 1 21  16  11 o 97.53593 5.183173  2032.691       211.9765 1894.594       
294.2176 2181.749       305.6705 94.06570 7.450036 101.0062 7.208197 -6.940468 
10.36635 
1 1 1 21  16  12 o 70.29144 5.669682  1064.743       166.8721 1003.541       
239.7899 1122.215       232.3705 68.25433 8.368000 72.32856 7.652304 -4.074234 
11.33936 
1 1 1 21  16  13 o 79.38802 5.283664  1344.749       174.0439 1397.475       
269.5061 1307.030       227.9505 80.60074 7.964355 78.17529 6.945319 2.425453 
10.56733 
1 1 1 21  16  14 o 58.27691 6.421633  733.9151       156.6773 780.8735       
232.4420 694.8151       212.1025 59.94476 9.236012 56.60906 8.924438 3.335693 
12.84327 
1 1 1 21  16  15 o 79.36708 5.847095  1359.601       194.6395 1304.654       
268.1221 1420.816       283.0039 77.68855 8.220471 81.04562 8.317328 -3.357079 
11.69419 
1 1 1 21  16  16 f 38.44696 8.480353  331.1431       151.0486 362.3056       
225.4265 305.7519       203.4846 39.90028 12.26917 36.99363 11.71038 2.906647 
16.96071 
1 1 1 21  16  17 o 27.25946 7.876716  42.97759       147.6460 179.5856       
221.7094 -65.88315      197.9163 31.85937 12.06545 22.65955 10.12894 9.199821 
15.75343 
1 1 1 21  16  18 o 96.25137 4.540651  1910.340       179.4373 2392.104       
293.6802 1623.354       226.6669 105.4805 6.631679 87.02222 6.204103 18.45831 
9.081303 
1 1 1 21  16  19 o 49.88746 7.712228  582.7413       157.0611 511.1241       
229.4900 645.8423       215.4135 46.60426 11.72921 53.17066 10.01696 -6.566406 
15.42446 
1 1 1 21  16  20 o 81.96336 5.952597  1429.586       201.6550 1781.306       
319.8318 1197.505       259.8024 90.05644 8.459172 73.87029 8.377113 16.18616 
11.90519 
1 1 1 21  16  21 o 80.68066 5.817163  1432.511       193.0937 1432.642       
304.2838 1432.422       249.8451 80.30432 9.025288 81.05701 7.341779 
-0.7526932     11.63433 
1 1 1 21  16  22 o 46.22464 8.939190  528.5800       180.7146 432.8437       
265.5626 611.1490       246.6250 42.13305 13.38207 50.31623 11.85566 -8.183182 
17.87838 
1 1 1 21  16  23 o 37.22849 9.089751  315.7476       180.2237 449.5441       
251.9592 175.5737       257.8940 42.52255 12.95014 31.93443 12.75885 10.58812 
18.17950 
1 1 1 21  16  24 o 66.57751 6.876496  1022.986       191.3633 914.0603       
268.6388 1135.199       272.6631 62.67015 10.21008 70.48487 9.214070 -7.814716 
13.75299 
1 1 1 21  16  25 o 57.15469 7.472809  842.7742       167.8106 496.9883       
252.0697 1118.009       224.8893 43.71204 12.87636 70.59735 7.587549 -26.88531 
14.94562 
1 1 1 21  16  26 o 44.94569 7.188001  473.0147       115.5523 527.0062       
247.0878 457.9012       130.7286 44.61373 12.62436 45.27765 6.877140 
-0.6639175     14.37600 
1 1 1 21  16  27 o 38.24391 8.052216  401.6232       132.2333 268.0276       
298.1428 434.3388       147.5385 33.89919 13.64572 42.58863 8.552603 -8.689442 
16.10443 
1 1 1 21  16  28 o 34.66647 8.594959  291.8540       133.7342 376.7726       
300.8499 270.9420       149.2955 36.64166 14.00255 32.69127 9.971057 3.950390 
17.18992 
1 1 1 21  16  29 o 23.20245 7.070491  54.54691       124.4684 -386.3908      
319.7449 133.2974       135.1269 21.56446 10.55032 24.84044 9.415844 -3.275982 
14.14098 
1 1 1 21  16  30 o 22.67371 6.477716  72.91273       107.9864 -172.9427      
201.8781 171.4541       127.8082 18.90072 9.040962 26.44670 9.279236 -7.545975 
12.95543 
1 1 1 21  16  31 f 32.39690 8.322891  282.6723       136.1361 387.7445       
252.9065 239.8072       161.5356 35.05588 12.97119 29.73793 10.43218 5.317947 
16.64578 
1 1 1 21  16  32 o 30.74223 7.427528  275.6657       116.0538 219.1714       
206.0663 301.9080       140.4449 28.32692 11.36862 33.15753 9.561756 -4.830606 
14.85506 
1 1 1 21  16  33 o 19.69193 6.482676  -45.87791      133.4296 -281.0424      
249.3235 48.50571       157.9522 18.53265 9.128470 20.85122 9.207137 -2.318569 
12.96535 
1 1 1 21  16  34 o 25.78505 7.537572  209.3407       133.5816 129.5478       
261.5512 237.4991       155.3740 24.22062 11.13939 27.34949 10.15746 -3.128862 
15.07514 
1 1 1 21  17  0  o 52.07206 7.531259  671.1458       150.0301 463.1216       
263.5301 770.9011       182.4910 44.39289 13.18932 59.75123 7.274709 -15.35833 
15.06252 
1 1 1 21  17  1  o 39.42921 7.750899  371.3900       144.3699 155.4709       
228.3472 515.1719       186.3383 31.19474 12.13284 47.66368 9.648831 -16.46894 
15.50180 
1 1 1 21  17  2  f 49.95919 7.929295  632.4111       158.2102 370.8699       
283.9377 750.1746       190.5279 40.96089 13.86527 58.95748 7.697340 -17.99659 
15.85859 
1 1 1 21  17  3  o 30.13103 7.951023  153.9263       141.6071 17.33530       
226.1125 242.0698       181.6388 26.69246 11.39705 33.56960 11.08974 -6.877138 
15.90205 
1 1 1 21  17  4  o 64.69626 6.185633  906.8391       167.9591 896.5003       
234.0904 917.8087       241.1257 64.33507 8.666762 65.05746 8.828106 
-0.7223892     12.37127 
1 1 1 21  17  5  o 32.87045 8.780872  185.6106       163.2160 172.0587       
210.9286 205.8339       257.6690 31.40443 11.80068 34.33647 13.00611 -2.932034 
17.56174 
1 1 1 21  17  6  o 60.79617 7.536703  831.2642       185.5727 985.9642       
261.0773 673.2930       263.8232 67.41679 9.224060 54.17556 11.92159 13.24123 
15.07341 
1 1 1 21  17  7  o 46.03202 8.045340  485.8209       159.6514 312.1621       
225.3392 660.8488       226.2257 37.85630 12.35194 54.20774 10.31210 -16.35144 
16.09068 
1 1 1 21  17  8  o 55.21802 7.590304  692.6075       168.7397 613.3548       
262.8625 748.1558       220.0679 51.61859 12.28936 58.81746 8.911927 -7.198868 
15.18061 
1 1 1 21  17  9  o 65.09077 6.604366  920.5768       180.0306 986.6990       
253.4928 853.2847       255.7252 67.54123 8.939592 62.64032 9.723903 4.900906 
13.20873 
1 1 1 21  17  10 o 47.87960 11.67928  525.5004       233.0038 0.000000       
0.000000 525.5004       233.0038 ?        ?        47.87960 11.67928 ? ? 
1 1 1 21  17  11 o 45.48000 14.91852  465.2197       328.7134 465.2197       
328.7134 0.000000       0.000000 45.48000 14.91852 ?        ?        ? ? 
1 1 1 21  17  12 o 129.5673 6.726441  3570.598       340.1274 3434.469       
408.2492 3879.505       614.9838 126.4106 7.692418 132.7239 11.03661 -6.313271 
13.45288 
1 1 1 21  17  13 o 45.04875 7.865157  459.8841       156.8718 697.0010       
226.2094 240.2030       217.7337 55.68843 10.04228 34.40907 12.10766 21.27936 
15.73031 
1 1 1 21  17  14 o 70.89019 5.940445  1081.529       175.5899 918.0860       
239.5280 1271.390       258.1609 65.03671 8.772407 76.74368 8.012517 -11.70697 
11.88089 
1 1 1 21  17  15 o 54.88055 6.750626  668.2349       151.9591 668.4064       
221.4159 668.0822       208.9322 54.38503 10.07579 55.37606 8.986786 
-0.9910393     13.50125 
1 1 1 21  17  16 o 105.0988 4.758873  2371.237       209.7374 2371.647       
303.9588 2370.864       289.7760 105.0509 6.891855 105.1468 6.564283 
-0.9597778E-01 9.517746 
1 1 1 21  17  17 f 87.49724 5.286424  1643.885       192.7978 1942.532       
284.4294 1390.027       262.2353 94.91233 7.137940 80.08215 7.799675 14.83018 
10.57285 
1 1 1 21  17  18 f 40.72262 8.235072  359.6353       155.3697 573.8218       
236.4444 196.8708       206.1165 49.53599 11.56759 31.90925 11.72419 17.62674 
16.47014 
1 1 1 21  17  19 o 50.02490 7.245803  655.8161       145.8497 295.5873       
240.3445 865.7950       183.4986 36.75013 12.74088 63.29967 6.904820 -26.54954 
14.49161 
1 1 1 21  17  20 o 60.38157 6.451416  803.0292       161.1764 837.5262       
252.0270 779.1569       209.6538 61.22517 9.804786 59.53798 8.387446 1.687195 
12.90283 
1 1 1 21  17  21 o 42.59571 7.558840  430.7614       134.1686 451.2380       
176.2940 402.5773       206.8290 44.06225 9.787265 41.12918 11.52188 2.933071 
15.11768 
1 1 1 21  17  22 o 42.38731 8.589571  420.2077       172.7185 649.1065       
250.9740 214.2609       238.0590 51.84967 11.79227 32.92495 12.49261 18.92472 
17.17914 
1 1 1 21  17  23 o 48.98286 8.626838  590.8995       177.5468 689.6813       
257.6688 501.6005       244.9890 53.09589 11.86113 44.86984 12.53008 8.226048 
17.25368 
1 1 1 21  17  24 o 84.46731 5.125036  1581.899       181.4052 1578.777       
264.3913 1584.677       249.3595 84.24562 7.475168 84.68900 7.013261 
-0.4433746     10.25007 
1 1 1 21  17  25 o 26.92865 8.295562  1.903189       177.2157 161.7795       
273.6270 -113.6111      232.5866 31.20151 12.88395 22.65578 10.45319 8.545729 
16.59112 
1 1 1 21  17  26 o 21.23524 7.023177  -167.8316      155.4357 -38.03885      
234.9030 -268.9247      207.3119 24.17026 10.90981 18.30021 8.847383 5.870049 
14.04635 
1 1 1 21  17  27 o 21.77633 7.235388  -101.9295      127.3342 -0.7332615     
293.7517 -125.3439      141.2994 27.02361 12.19878 16.52904 7.784151 10.49457 
14.47078 
1 1 1 21  17  28 o 65.24416 6.253667  997.6949       130.0611 1053.838       
293.0012 983.9178       145.1445 63.57227 11.39040 66.91605 5.166441 -3.343777 
12.50733 
1 1 1 21  17  29 o 32.93439 8.449812  241.9521       133.6512 444.8887       
272.4533 177.6431       153.3727 38.47547 13.54335 27.39332 10.10817 11.08215 
16.89962 
1 1 1 21  17  30 o 33.86278 8.208295  319.4148       135.3741 315.7204       
252.5408 320.9044       160.3602 33.17311 12.78880 34.55244 10.29325 -1.379337 
16.41659 
1 1 1 21  17  31 o 21.86054 7.038265  1.163896       134.1446 -59.23861      
247.6842 26.23570       159.5745 22.66769 10.58374 21.05339 9.280793 1.614292 
14.07653 
1 1 1 21  17  32 o 22.65464 7.084174  55.68926       131.7414 -64.91487      
245.4676 104.4830       156.1332 22.04406 10.34873 23.26522 9.677078 -1.221161 
14.16835 
1 1 1 21  17  33 o 29.84210 8.098486  198.8338       128.1233 530.8998       
261.5440 93.98494       146.9651 37.63787 13.26731 22.04633 9.290875 15.59155 
16.19697 
1 1 1 21  17  34 o 28.51245 6.910367  273.7914       130.9529 -104.1342      
257.4922 405.6417       152.0903 20.31852 9.829542 36.70638 9.715595 -16.38786 
13.82073 
1 1 1 21  18  0  f 113.5971 6.215415  2830.787       289.6771 2845.051       
460.7990 2821.467       372.4813 113.2976 9.687506 113.8966 7.789591 
-0.5990372     12.43083 
1 1 1 21  18  1  o 33.75262 8.218099  224.5784       140.5248 334.4569       
223.0039 152.2123       180.9773 38.36090 12.27100 29.14433 10.93485 9.216574 
16.43620 
1 1 1 21  18  2  o 101.0300 5.638854  2219.621       236.4428 2179.603       
360.5211 2249.826       313.2095 99.96555 8.590163 102.0945 7.307243 -2.128960 
11.27771 
1 1 1 21  18  3  o 70.73708 5.896831  1089.359       172.9152 1312.787       
249.0060 881.2756       240.3040 77.95933 7.607865 63.51482 9.011705 14.44451 
11.79366 
1 1 1 21  18  4  o 75.99295 5.617657  1241.099       178.4869 1169.155       
239.5194 1330.939       267.6547 73.58430 7.753121 78.40160 8.131507 -4.817299 
11.23531 
1 1 1 21  18  5  o 76.44722 6.150233  1257.588       195.4326 1191.688       
256.2670 1349.185       302.1276 74.21014 8.225276 78.68430 9.145835 -4.474159 
12.30047 
1 1 1 21  18  6  f 48.37061 8.467189  546.7236       172.1290 622.4255       
235.3847 459.7129       252.3546 52.16346 11.08200 44.57775 12.80478 7.585705 
16.93438 
1 1 1 21  18  7  f 166.1005 7.040201  6035.961       486.1082 6048.626       
740.4896 6026.370       644.4038 165.7729 10.63963 166.4280 9.222586 
-0.6550903     14.08040 
1 1 1 21  18  8  f 36.74576 8.085311  281.9646       138.4478 404.1422       
218.4527 199.9482       178.9830 42.00989 11.86478 31.48163 10.98709 10.52826 
16.17062 
1 1 1 21  18  9  o 37.52031 8.837770  298.7083       164.1487 372.2914       
241.1738 235.2016       224.0530 40.65337 12.72904 34.38725 12.26362 6.266121 
17.67554 
1 1 1 21  18  10 o 45.40829 9.578300  442.0158       192.4564 633.0561       
320.6828 334.4741       240.6034 51.83504 14.28531 38.98155 12.76344 12.85349 
19.15660 
1 1 1 21  18  11 o 40.44511 9.674629  354.5480       195.6623 396.8198       
283.8098 316.2574       270.1143 42.15519 13.86215 38.73504 13.49943 3.420143 
19.34926 
1 1 1 21  18  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  18  13 o 109.6744 6.816445  2603.271       312.1199 2304.932       
417.5959 2980.882       469.8119 102.6079 9.693850 116.7408 9.585666 -14.13288 
13.63289 
1 1 1 21  18  14 o 66.61120 5.553731  958.1720       154.9445 968.4301       
227.5592 949.3054       211.5633 66.88175 8.104156 66.34064 7.595944 0.5411072 
11.10746 
1 1 1 21  18  15 o 37.15529 8.296015  310.1498       147.5005 234.7419       
217.1858 374.7068       200.9530 33.97502 12.07846 40.33556 11.37568 -6.360538 
16.59203 
1 1 1 21  18  16 o 51.11198 7.288981  597.4096       150.5378 594.1625       
223.6632 600.0988       203.5417 50.78574 10.81228 51.43821 9.778112 
-0.6524620     14.57796 
1 1 1 21  18  17 o 38.00784 8.397313  329.2523       148.0998 331.5220       
220.9984 327.4021       199.5321 38.20037 12.21530 37.81531 11.52588 0.3850632 
16.79463 
1 1 1 21  18  18 o 34.45607 8.215112  247.5157       151.9739 81.57464       
226.9353 382.4490       204.6372 28.42626 11.73536 40.48587 11.49928 -12.05962 
16.43022 
1 1 1 21  18  19 o 42.77398 8.313928  422.4522       153.5121 518.1620       
235.0431 351.2545       202.7227 46.71636 11.93820 38.83160 11.57432 7.884762 
16.62786 
1 1 1 21  18  20 f 40.71114 8.344898  392.5774       150.8914 379.1971       
213.4927 405.9326       213.2928 40.06757 11.86459 41.35472 11.73801 -1.287151 
16.68980 
1 1 1 21  18  21 o 22.57210 6.816429  16.73026       114.3900 18.36189       
164.0359 15.18571       159.5991 22.76214 9.712749 22.38207 9.566467 0.3800697 
13.63286 
1 1 1 21  18  22 o 50.24009 7.494682  486.4407       160.8478 1096.018       
283.5183 197.1211       195.3241 69.47865 9.719652 31.00154 11.41093 38.47712 
14.98936 
1 1 1 21  18  23 o 115.3363 6.652199  2987.629       318.6829 2460.205       
425.5596 3661.039       480.8620 103.5367 9.790105 127.1359 9.008933 -23.59925 
13.30440 
1 1 1 21  18  24 o 66.43818 7.295710  1032.479       203.0741 1079.806       
299.0589 991.9839       276.6309 67.70850 10.52046 65.16785 10.11086 2.540649 
14.59142 
1 1 1 21  18  25 o 34.47063 8.399914  280.4832       130.2926 258.8644       
298.4358 285.5742       144.8237 34.58448 13.75407 34.35678 9.646752 0.2277069 
16.79983 
1 1 1 21  18  26 o 33.63203 8.317473  277.2666       133.1794 221.1643       
292.8438 291.8956       149.5383 32.84455 13.40721 34.41952 9.847242 -1.574970 
16.63495 
1 1 1 21  18  27 o 26.69109 7.911467  109.5662       123.7874 92.49074       
296.0941 113.1827       136.2673 29.09253 12.73702 24.28965 9.387947 4.802881 
15.82293 
1 1 1 21  18  28 o 41.86597 7.624249  449.1599       127.0590 482.4566       
233.2489 435.1106       151.5118 41.62343 12.41699 42.10852 8.850711 
-0.4850845     15.24850 
1 1 1 21  18  29 o 33.57261 7.976967  312.0706       133.5869 227.3553       
245.6372 347.6484       159.1855 30.68773 12.37233 36.45748 10.07241 -5.769749 
15.95393 
1 1 1 21  18  30 o 33.60934 7.885124  328.2401       136.8295 188.0536       
247.7922 389.7372       164.1202 28.97135 12.12961 38.24733 10.07835 -9.275984 
15.77025 
1 1 1 21  18  31 o 22.76138 6.925617  68.70551       112.6999 80.72228       
202.3325 63.30029       135.6997 24.28982 10.58245 21.23294 8.936912 3.056873 
13.85123 
1 1 1 21  18  32 o 21.32285 6.987910  -51.24796      130.2223 110.0745       
250.4751 -111.0052      152.4447 25.77669 11.46191 16.86902 7.996758 8.907663 
13.97582 
1 1 1 21  18  33 o 29.21196 7.482456  272.0238       127.2077 105.4175       
258.8315 325.0819       146.0654 24.92046 11.32665 33.50346 9.780369 -8.582998 
14.96491 
1 1 1 21  18  34 o 19.68132 6.334430  -9.932957      128.4996 -411.8055      
261.6494 117.8053       147.5150 17.12643 8.563215 22.23620 9.336559 -5.109774 
12.66886 
1 1 1 21  19  0  o 80.95703 5.297198  1445.718       176.2625 1318.024       
270.9128 1539.451       232.1077 77.47233 8.329214 84.44173 6.547169 -6.969406 
10.59440 
1 1 1 21  19  1  o 38.08365 7.764230  333.6849       140.8846 165.1042       
205.2309 483.9262       193.7464 30.46221 11.58727 45.70508 10.33771 -15.24287 
15.52846 
1 1 1 21  19  2  o 35.52493 7.121871  288.1150       123.2442 101.5022       
184.1971 439.3726       165.8329 27.14899 10.80287 43.90086 9.283436 -16.75187 
14.24374 
1 1 1 21  19  3  f 108.1867 5.204294  2530.246       236.1588 2679.871       
337.0452 2385.946       330.9948 111.3928 7.206958 104.9805 7.509890 6.412331 
10.40859 
1 1 1 21  19  4  o 108.3255 5.528934  2529.849       249.2874 2444.076       
329.3110 2644.970       381.5125 106.3753 7.373717 110.2757 8.240433 -3.900368 
11.05787 
1 1 1 21  19  5  o 91.43658 6.233223  1795.982       227.5642 1733.604       
279.4937 1918.660       391.9587 89.62378 7.427964 93.24938 10.01188 -3.625603 
12.46645 
1 1 1 21  19  6  o 94.63290 5.478951  1892.516       211.3600 1765.448       
265.0429 2114.475       350.2950 90.62844 6.965827 98.63736 8.458895 -8.008919 
10.95790 
1 1 1 21  19  7  o 77.77844 5.341420  1312.698       173.0312 1140.115       
246.7492 1479.674       242.7071 72.56178 8.099701 82.99512 6.965479 -10.43334 
10.68284 
1 1 1 21  19  8  o 29.14856 8.134690  59.23860       148.5876 263.4121       
249.5226 -52.94241      184.9566 36.07216 12.93416 22.22497 9.869159 13.84719 
16.26938 
1 1 1 21  19  9  o 54.78214 8.847649  657.7937       190.1305 847.9117       
333.9599 566.6193       231.2699 59.98382 13.57580 49.58046 11.34994 10.40336 
17.69530 
1 1 1 21  19  10 o 39.87015 9.694592  302.0865       194.3140 515.2042       
324.0575 182.4398       242.8079 46.94581 14.76622 32.79448 12.56579 14.15133 
19.38918 
1 1 1 21  19  11 o 34.10745 9.312481  168.2232       204.2099 -81.45247      
324.4933 331.9472       262.7688 29.13975 12.99909 39.07515 13.33840 -9.935398 
18.62496 
1 1 1 21  19  12 o 121.4551 7.244917  3251.868       367.1929 3235.050       
492.8753 3272.847       550.4622 121.4242 9.668364 121.4861 10.79250 
-0.6190491E-01 14.48983 
1 1 1 21  19  13 f 53.69658 9.583516  683.3682       216.2271 643.2013       
300.0606 726.7572       311.8634 52.04627 13.58737 55.34690 13.51883 -3.300629 
19.16703 
1 1 1 21  19  14 o 31.46071 13.13284  86.44319       289.1533 86.44319       
289.1533 0.000000       0.000000 31.46071 13.13284 ?        ?        ? ? 
1 1 1 21  19  15 o 64.79962 8.647148  977.0305       226.9291 1042.718       
301.9661 891.7956       343.9742 68.47353 10.50404 61.12572 13.73891 7.347805 
17.29430 
1 1 1 21  19  16 o 34.33054 8.349649  240.0312       148.7847 343.9355       
219.0771 151.0789       202.7024 38.74863 12.13176 29.91244 11.47550 8.836187 
16.69930 
1 1 1 21  19  17 o 39.39347 8.086863  343.6013       150.7379 530.3851       
220.0398 178.4336       206.9160 47.66216 11.17797 31.12479 11.68942 16.53738 
16.17373 
1 1 1 21  19  18 o 35.43306 7.681978  242.6487       152.4189 -49.53824      
221.2389 506.6160       210.2839 24.30967 10.79449 46.55646 10.93298 -22.24680 
15.36396 
1 1 1 21  19  19 o 65.37126 5.773504  942.0107       156.6305 1110.662       
223.1366 778.1920       219.9164 71.40721 7.443031 59.33531 8.828063 12.07190 
11.54701 
1 1 1 21  19  20 o 75.41093 5.157379  1219.695       160.5666 1131.994       
206.1927 1354.815       255.9359 72.21121 6.801266 78.61064 7.754806 -6.399429 
10.31476 
1 1 1 21  19  21 o 73.82464 5.016013  1149.906       151.9540 1007.385       
191.7117 1390.753       249.2194 68.03709 6.711568 79.61218 7.456299 -11.57509 
10.03203 
1 1 1 21  19  22 o 46.51420 8.733381  525.2731       175.8079 685.7452       
262.1785 394.1589       236.9858 52.90794 12.06614 40.12046 12.62918 12.78748 
17.46676 
1 1 1 21  19  23 f 39.75768 8.259142  374.7797       177.8183 19.93301       
267.2546 656.6492       238.1930 27.61821 12.09612 51.89714 11.24889 -24.27894 
16.51828 
1 1 1 21  19  24 o 61.19773 7.354985  968.7080       148.2367 747.8188       
302.7106 1038.388       170.0172 53.41495 13.48771 68.98051 5.870668 -15.56556 
14.70997 
1 1 1 21  19  25 o 28.29692 7.825212  145.8580       122.9262 188.4838       
237.0010 130.1703       143.7781 30.86895 12.26304 25.72490 9.723872 5.144051 
15.65042 
1 1 1 21  19  26 o 52.86606 7.803545  725.3647       138.0595 648.2170       
307.4844 744.8445       154.5096 47.83330 14.25406 57.89881 6.356335 -10.06551 
15.60709 
1 1 1 21  19  27 o 28.96871 8.279684  103.8429       130.3506 354.3585       
289.2421 39.99709       146.0193 36.30069 13.77119 21.63672 9.196037 14.66397 
16.55937 
1 1 1 21  19  28 o 24.29491 7.069881  91.54842       109.2518 115.4127       
196.2442 80.83031       131.5170 26.20553 10.87141 22.38428 9.041315 3.821243 
14.13976 
1 1 1 21  19  29 o 53.68106 7.021136  740.9027       140.7800 702.5917       
253.1702 758.0516       169.3826 50.08064 12.14815 57.28148 7.043293 -7.200844 
14.04227 
1 1 1 21  19  30 o 35.82295 8.015676  378.2641       139.2152 270.0246       
247.1991 428.5386       168.4719 31.48244 12.51864 40.16346 10.01438 -8.681023 
16.03135 
1 1 1 21  19  31 o 32.54948 8.304756  285.7210       134.7918 399.9842       
252.2912 240.0760       159.4578 35.39984 12.97457 29.69912 10.36997 5.700726 
16.60951 
1 1 1 21  19  32 o 54.74380 6.185927  742.6174       124.8854 834.8709       
234.0407 705.8929       147.6651 54.63868 10.58026 54.84893 6.412552 
-0.2102470     12.37185 
1 1 1 21  19  33 o 26.49387 7.736994  167.8768       118.3235 300.6044       
261.1785 133.6005       132.7253 29.66999 12.43899 23.31776 9.204123 6.352224 
15.47399 
1 1 1 21  19  34 o 32.47147 8.298690  341.0100       127.5735 527.1202       
275.7506 290.3277       143.8996 34.44143 13.34575 30.50151 9.867312 3.939915 
16.59738 
1 1 1 21  20  0  o 79.70337 5.101661  1371.737       167.5757 1459.719       
266.6918 1314.336       215.4120 81.54385 7.790037 77.86288 6.589622 3.680977 
10.20332 
1 1 1 21  20  1  o 29.18463 7.771658  146.9444       128.0013 212.5190       
203.2374 103.8325       164.7914 32.21892 11.66106 26.15033 10.27688 6.068588 
15.54332 
1 1 1 21  20  2  o 35.84822 7.902599  280.2863       132.7219 388.2607       
205.2424 202.6841       173.9978 40.63595 11.50807 31.06050 10.83368 9.575445 
15.80520 
1 1 1 21  20  3  o 32.15698 8.300303  203.8398       147.4981 145.0220       
218.1618 253.3629       200.1835 30.17564 11.83393 34.13831 11.64209 -3.962669 
16.60061 
1 1 1 21  20  4  o 42.61694 7.729708  429.0925       139.9247 354.8761       
210.5656 487.7813       187.2472 39.16124 11.82120 46.07263 9.962564 -6.911396 
15.45942 
1 1 1 21  20  5  o 71.99640 5.906097  1113.637       176.8031 1010.886       
231.2702 1258.145       274.2667 68.14825 8.083249 75.84454 8.613306 -7.696289 
11.81219 
1 1 1 21  20  6  o 68.91763 6.291669  1050.924       179.2876 1118.228       
239.2213 964.6733       270.8083 71.75338 7.941061 66.08188 9.761144 5.671501 
12.58334 
1 1 1 21  20  7  o 83.26665 5.642304  1468.091       189.0116 1635.329       
323.2330 1381.192       232.9993 86.44290 8.906507 80.09039 6.929395 6.352509 
11.28461 
1 1 1 21  20  8  o 95.71776 6.283125  2006.452       249.4290 1980.699       
381.7369 2025.639       329.4932 94.86854 9.584358 96.56699 8.127161 -1.698448 
12.56625 
1 1 1 21  20  9  f 36.66277 9.441058  274.0992       186.6005 207.9986       
310.4255 311.4968       233.4943 35.74693 14.08695 37.57861 12.57347 -1.831680 
18.88212 
1 1 1 21  20  10 o 91.99705 7.067289  1864.370       272.5850 1740.400       
375.8941 2001.865       395.8677 88.73584 10.08992 95.25826 9.898479 -6.522415 
14.13458 
1 1 1 21  20  11 o 63.53763 8.359175  915.4634       216.5258 705.5124       
293.5504 1166.001       320.6711 54.62410 12.97548 72.45115 10.54231 -17.82705 
16.71835 
1 1 1 21  20  12 o 46.98925 9.587052  509.3643       203.3841 682.6933       
303.0697 367.3497       274.3301 53.50257 13.48723 40.47594 13.62868 13.02663 
19.17410 
1 1 1 21  20  13 o 85.77245 7.490456  1641.378       269.1255 1734.268       
376.9706 1544.822       384.3383 88.45325 10.15114 83.09164 11.01736 5.361610 
14.98091 
1 1 1 21  20  14 o 114.1692 6.876063  2850.558       323.4338 2730.066       
415.6078 3035.593       515.0275 111.6224 8.868569 116.7160 10.51044 -5.093636 
13.75213 
1 1 1 21  20  15 o 45.23620 13.42323  485.7862       273.0750 0.000000       
0.000000 485.7862       273.0750 ?        ?        45.23620 13.42323 ? ? 
1 1 1 21  20  16 o 78.41835 9.361102  1359.099       308.1936 1359.099       
308.1936 0.000000       0.000000 78.41835 9.361102 ?        ?        ? ? 
1 1 1 21  20  17 o 93.46425 5.924448  1893.595       227.0466 1817.035       
289.0977 2016.824       366.7749 91.40837 7.533203 95.52013 9.145885 -4.111763 
11.84890 
1 1 1 21  20  18 o 55.06937 6.632531  680.0321       147.5777 522.3864       
200.8699 864.9263       217.5381 47.37625 10.38290 62.76249 8.255746 -15.38623 
13.26506 
1 1 1 21  20  19 o 56.16547 6.066529  722.2340       133.9717 781.7947       
172.8930 632.7280       211.9451 60.00956 6.862434 52.32140 10.00590 7.688160 
12.13306 
1 1 1 21  20  20 o 35.62330 6.840018  297.9541       129.9585 513.8397       
167.7392 -26.22767      205.5497 47.42516 8.753386 23.82144 10.51293 23.60372 
13.68004 
1 1 1 21  20  21 o 24.91679 7.291655  64.58714       124.1480 94.05894       
160.9441 21.28597       195.0840 25.34222 10.09358 24.49135 10.52580 0.8508701 
14.58331 
1 1 1 21  20  22 o 38.61368 9.074462  365.1836       174.4897 285.3007       
265.4775 425.9397       231.5239 35.76938 13.27875 41.45798 12.37167 -5.688602 
18.14892 
1 1 1 21  20  23 o 27.94624 7.610348  151.6925       124.7391 -83.52511      
279.8334 210.0212       139.3497 25.75333 11.72440 30.13914 9.706077 -4.385805 
15.22070 
1 1 1 21  20  24 o 31.83786 7.744753  153.0490       121.1704 445.9071       
234.8171 46.76720       141.4590 41.63144 12.46664 22.04429 9.192806 19.58714 
15.48951 
1 1 1 21  20  25 o 32.99032 8.213991  267.6490       132.9055 140.2027       
303.5918 297.8647       147.8233 31.08417 13.23708 34.89648 9.729255 -3.812311 
16.42798 
1 1 1 21  20  26 o 63.43752 6.865651  934.7058       150.8999 1041.492       
310.4011 901.6578       172.6784 63.30240 12.11160 63.57264 6.469770 
-0.2702332     13.73130 
1 1 1 21  20  27 o 43.67126 7.328096  538.7487       134.0239 312.9459       
243.8076 636.5303       160.4395 34.53982 12.74463 52.80271 7.237295 -18.26289 
14.65619 
1 1 1 21  20  28 o 41.37370 7.372445  467.7105       120.5842 368.9258       
250.4318 497.5262       137.5836 36.16272 12.95859 46.58468 7.034682 -10.42196 
14.74489 
1 1 1 21  20  29 o 33.22814 8.265645  287.5247       132.2430 343.4812       
256.1332 267.1868       154.4166 34.55624 13.00015 31.90005 10.21174 2.656187 
16.53129 
1 1 1 21  20  30 o 20.72315 6.733296  -35.73592      129.8793 -213.7461      
252.7289 28.14873       151.4017 20.56256 9.902990 20.88375 9.125781 
-0.3211937     13.46659 
1 1 1 21  20  31 o 21.07033 6.828367  -1.127777      117.3637 -44.55842      
254.0629 10.65438       132.3291 23.04633 10.74448 19.09434 8.429866 3.951984 
13.65673 
1 1 1 21  20  32 o 18.61236 6.340904  -110.3424      119.9923 -113.7777      
252.9054 -109.3445      136.3116 21.37678 10.19992 15.84794 7.535906 5.528840 
12.68181 
1 1 1 21  20  33 o 34.65912 7.172794  370.4798       107.7661 332.8282       
219.0561 382.5019       123.7809 31.07462 11.92709 38.24362 7.971222 -7.169003 
14.34559 
1 1 1 21  20  34 o 24.16040 7.021820  158.9449       104.9705 176.2198       
216.3807 153.6281       120.0421 24.81133 10.87531 23.50946 8.885459 1.301870 
14.04364 
1 1 1 21  21  0  o 69.16275 5.257200  1051.334       152.4971 1024.375       
210.0433 1081.384       221.7603 68.27180 7.328053 70.05370 7.540043 -1.781898 
10.51440 
1 1 1 21  21  1  o 33.66676 6.790576  248.9549       125.2567 -39.85107      
192.8674 459.6217       164.7228 22.69331 10.07746 44.64021 9.104531 -21.94689 
13.58115 
1 1 1 21  21  2  f 54.18734 6.273580  675.6302       135.1970 572.9747       
205.6404 753.7802       179.4245 49.59248 10.22609 58.78220 7.270376 -9.189724 
12.54716 
1 1 1 21  21  3  o 45.56120 7.080039  484.7810       140.0153 241.8012       
196.9290 733.1780       199.1121 33.36476 11.53617 57.75765 8.211249 -24.39289 
14.16008 
1 1 1 21  21  4  o 25.62416 7.485602  57.50196       130.2697 99.26234       
197.9992 25.62745       172.9828 27.57832 11.11244 23.67001 10.03248 3.908304 
14.97120 
1 1 1 21  21  5  o 80.19530 5.991456  1415.548       200.5320 1587.055       
283.8174 1244.577       283.3731 85.27847 7.927217 75.11212 8.986068 10.16635 
11.98291 
1 1 1 21  21  6  o 75.84642 6.392303  1249.746       195.5198 1333.953       
329.2684 1203.883       242.9989 77.32526 10.14261 74.36759 7.782903 2.957664 
12.78461 
1 1 1 21  21  7  o 65.75217 6.519081  932.1150       164.1641 1006.347       
305.8696 902.0796       194.5613 66.92861 10.88543 64.57571 7.176427 2.352898 
13.03816 
1 1 1 21  21  8  o 57.23858 7.581008  755.9775       175.9932 651.7410       
261.2228 842.6189       238.1572 52.61470 12.07486 61.86245 9.169756 -9.247746 
15.16202 
1 1 1 21  21  9  o 100.1750 6.162625  2185.567       253.6373 2260.497       
404.7945 2137.134       325.4453 101.1714 9.530108 99.17865 7.815934 1.992752 
12.32525 
1 1 1 21  21  10 o 79.78293 7.589768  1421.884       254.0163 1477.606       
368.4517 1371.409       350.6738 81.23854 10.80288 78.32732 10.66378 2.911217 
15.17954 
1 1 1 21  21  11 o 37.51984 9.680471  290.2579       196.3055 283.0757       
308.7232 295.1329       254.3469 37.91985 14.27113 37.11983 13.08361 0.8000145 
19.36094 
1 1 1 21  21  12 o 39.72073 9.426620  334.9244       196.0612 519.3417       
279.9393 157.3712       274.6802 46.63016 13.51656 32.81130 13.14334 13.81886 
18.85324 
1 1 1 21  21  13 o 116.9426 6.508581  2974.970       312.4654 2833.690       
398.2419 3201.241       503.9873 113.8812 8.329444 120.0039 10.00334 -6.122765 
13.01716 
1 1 1 21  21  14 o 95.35518 6.209851  1944.804       240.8781 1794.793       
300.6925 2213.498       402.4294 90.77030 7.890415 99.94005 9.591161 -9.169746 
12.41970 
1 1 1 21  21  15 f 181.6305 8.178594  7479.146       613.0373 7366.955       
796.1402 7642.554       960.8289 181.2360 10.46324 182.0251 12.57291 
-0.7890778     16.35719 
1 1 1 21  21  16 o 36.52404 9.352572  278.4486       183.2144 253.4747       
241.1973 312.5142       281.7010 34.97419 12.69901 38.07389 13.73381 -3.099701 
18.70514 
1 1 1 21  21  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  21  18 o 35.52480 8.990195  273.1856       170.3266 265.2750       
245.5628 280.5200       236.4518 35.31976 12.81451 35.72985 12.61280 
-0.4100990     17.98039 
1 1 1 21  21  19 o 52.11296 6.095290  587.8329       130.8432 527.7311       
166.6604 684.3948       211.2475 48.89223 8.119208 55.33368 9.093331 -6.441444 
12.19058 
1 1 1 21  21  20 o 29.95105 7.683478  186.2528       124.7665 216.6827       
159.8222 138.7717       199.6398 31.12498 10.40244 28.77713 11.31073 2.347851 
15.36696 
1 1 1 21  21  21 o 50.51595 6.870602  590.4141       142.4249 491.6486       
196.7788 699.0783       206.4044 45.31754 10.53352 55.71436 8.824149 -10.39682 
13.74120 
1 1 1 21  21  22 o 33.71887 7.840276  250.3242       118.0959 318.0075       
226.2194 224.9685       138.4607 36.37804 12.37604 31.05969 9.628774 5.318352 
15.68055 
1 1 1 21  21  23 o 30.04365 8.228852  165.9283       125.7957 209.8414       
282.6303 155.0798       140.4776 33.04419 13.29243 27.04311 9.703991 6.001083 
16.45770 
1 1 1 21  21  24 o 29.77287 8.053008  188.5459       129.7092 69.67207       
291.2621 217.9536       144.8675 29.16219 12.70111 30.38354 9.903813 -1.221354 
16.10602 
1 1 1 21  21  25 o 23.70289 7.416101  22.40246       127.4767 -39.12619      
270.9476 39.89404       144.4645 25.65637 11.64144 21.74940 9.190817 3.906963 
14.83220 
1 1 1 21  21  26 o 37.86040 7.593174  354.1660       122.2440 428.2466       
205.3834 313.5242       152.1245 40.33687 11.54048 35.38392 9.871297 4.952950 
15.18635 
1 1 1 21  21  27 o 53.63280 7.253099  778.0767       142.5246 580.5415       
258.3014 864.5429       170.8944 45.37189 12.92973 61.89370 6.576617 -16.52180 
14.50620 
1 1 1 21  21  28 o 24.28218 7.007371  73.61685       129.7509 -268.6578      
251.0832 198.3216       151.5555 20.10779 9.723932 28.45657 10.09248 -8.348780 
14.01474 
1 1 1 21  21  29 o 23.13662 7.207702  44.36414       127.2681 0.2159953      
241.6643 61.30726       149.7107 24.15841 10.97077 22.11483 9.351264 2.043583 
14.41540 
1 1 1 21  21  30 o 30.31310 7.459440  259.7187       125.1759 77.99928       
245.8021 323.3473       145.4492 25.71307 11.40280 34.91312 9.620250 -9.200050 
14.91888 
1 1 1 21  21  31 o 24.63884 7.459934  101.0982       120.2863 151.9106       
250.2983 85.83898       137.1635 27.18796 11.80662 22.08971 9.121739 5.098244 
14.91987 
1 1 1 21  21  32 o 20.74809 6.854244  -37.25637      119.5013 74.96989       
255.6464 -68.63512      135.1793 24.81497 11.27285 16.68120 7.800354 8.133778 
13.70849 
1 1 1 21  21  33 o 22.11567 6.999660  73.95882       122.2368 14.74907       
261.6447 90.49036       138.2521 22.82478 10.70965 21.40655 9.015779 1.418234 
13.99932 
1 1 1 21  21  34 o 22.74115 7.242495  80.99842       121.5352 242.5657       
262.1333 36.75766       137.1692 26.47155 11.75274 19.01074 8.466886 7.460810 
14.48499 
1 1 1 21  22  0  o 28.88173 7.494545  171.8725       120.2014 135.9919       
175.5266 203.5581       164.9470 27.48395 10.64814 30.27952 10.54940 -2.795576 
14.98909 
1 1 1 21  22  1  o 56.03778 5.480374  687.6232       128.0008 812.5965       
192.4155 588.4163       171.4363 60.62188 7.560174 51.45368 7.936105 9.168198 
10.96075 
1 1 1 21  22  2  o 38.23813 7.704105  348.6292       130.1199 313.7589       
183.7767 383.6826       184.2588 36.39823 11.05501 40.07802 10.73311 -3.679790 
15.40821 
1 1 1 21  22  3  o 51.14376 7.503545  612.9372       155.6513 678.3038       
228.7449 556.5729       212.4099 53.79118 10.50358 48.49634 10.71857 5.294838 
15.00709 
1 1 1 21  22  4  o 23.02862 7.284029  -81.18520      151.1275 -281.9757      
244.3155 43.26235       192.3413 20.84235 9.964015 25.21489 10.62764 -4.372543 
14.56806 
1 1 1 21  22  5  o 44.41295 8.826343  478.9581       183.7673 255.7911       
269.2367 673.6078       251.4468 35.54249 13.33693 53.28341 11.56475 -17.74092 
17.65269 
1 1 1 21  22  6  o 32.30698 8.842281  185.8162       168.3009 162.5164       
271.3896 200.3763       214.5361 32.55590 13.05466 32.05804 11.92978 0.4978600 
17.68456 
1 1 1 21  22  7  o 31.79267 8.292691  175.9265       145.6525 297.7463       
233.4134 98.24143       186.3956 36.58664 12.56817 26.99870 10.82202 9.587942 
16.58538 
1 1 1 21  22  8  o 30.29175 8.544435  138.2424       162.2245 -18.95117      
300.9477 202.6262       192.6024 28.99468 12.76647 31.58882 11.35987 -2.594139 
17.08887 
1 1 1 21  22  9  o 52.99844 8.707319  672.5734       182.9549 644.1147       
313.6380 687.2518       225.2489 51.29418 14.12368 54.70270 10.18780 -3.408520 
17.41464 
1 1 1 21  22  10 o 51.30657 9.429823  636.5078       204.8863 641.8060       
294.2729 631.5229       285.4352 51.46370 13.46516 51.14944 13.20514 0.3142624 
18.85965 
1 1 1 21  22  11 o 35.13431 9.164462  193.4212       202.4301 440.4463       
274.1985 -102.5018      300.1122 43.07660 13.58940 27.19203 12.29950 15.88457 
18.32892 
1 1 1 21  22  12 o 36.98415 9.220585  295.7643       176.0839 291.4267       
227.5154 302.2435       278.0614 36.29268 12.41144 37.67561 13.63939 -1.382938 
18.44117 
1 1 1 21  22  13 o 35.22619 9.342022  237.0509       188.0427 170.4296       
256.6067 314.3211       276.3551 32.40358 12.79558 38.04880 13.61494 -5.645218 
18.68404 
1 1 1 21  22  14 o 103.1028 6.217165  2342.320       264.7672 2324.716       
344.8042 2367.615       413.3129 103.0823 7.967268 103.1233 9.546477 
-0.4099274E-01 12.43433 
1 1 1 21  22  15 o 47.53632 8.545394  537.2212       172.6532 426.2401       
238.4314 659.5659       250.3408 42.28376 12.54203 52.78887 11.61002 -10.50511 
17.09079 
1 1 1 21  22  16 o 72.07680 6.318962  1147.535       190.7057 1266.955       
279.8940 1044.058       260.5419 75.61241 8.817013 68.54118 9.054138 7.071236 
12.63792 
1 1 1 21  22  17 o 34.20104 8.895991  238.7171       169.9000 304.0721       
240.4906 173.5960       240.0597 36.71429 12.74319 31.68779 12.41635 5.026508 
17.79198 
1 1 1 21  22  18 o 34.56153 8.979818  243.2750       177.2341 350.1553       
243.4830 122.8203       258.4828 38.54786 12.83959 30.57519 12.55760 7.972672 
17.95964 
1 1 1 21  22  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  22  20 o 36.40153 8.566939  271.0836       124.5130 395.5611       
303.9691 245.9862       136.4894 40.33559 14.29436 32.46747 9.446753 7.868126 
17.13388 
1 1 1 21  22  21 o 34.68185 7.267421  283.0681       106.8630 280.6811       
201.5470 284.0016       126.0379 34.53786 11.68167 34.82583 8.648707 
-0.2879677     14.53484 
1 1 1 21  22  22 o 71.94580 6.256591  1156.960       157.3056 1225.165       
332.2057 1137.247       178.5973 71.67343 11.04002 72.21817 5.890465 
-0.5447388     12.51318 
1 1 1 21  22  23 o 54.33990 7.406605  685.1655       136.2090 763.1876       
297.5526 664.4819       153.2032 53.88546 13.23177 54.79433 6.659680 
-0.9088707     14.81321 
1 1 1 21  22  24 o 81.45615 5.207121  1561.324       154.8245 1339.004       
290.4391 1649.578       182.9923 75.72173 9.135989 87.19057 4.999015 -11.46884 
10.41424 
1 1 1 21  22  25 o 25.67550 7.526829  95.52821       125.1020 97.21913       
227.5985 94.79617       149.7532 27.22811 11.52252 24.12288 9.687319 3.105227 
15.05366 
1 1 1 21  22  26 o 21.34449 6.829747  -29.45603      126.6340 -145.5755      
235.0179 18.05020       150.3224 21.60435 10.13937 21.08462 9.152866 0.5197277 
13.65949 
1 1 1 21  22  27 o 28.93143 7.907464  143.9093       127.6415 339.0144       
239.2145 66.24923       150.9219 35.18188 12.65927 22.68098 9.479178 12.50090 
15.81493 
1 1 1 21  22  28 o 42.38531 7.809105  503.3925       136.7473 426.3146       
249.3910 536.5299       163.5214 38.06708 12.99443 46.70354 8.664483 -8.636456 
15.61821 
1 1 1 21  22  29 o 28.53671 7.785209  198.1675       124.5093 179.4602       
244.3543 204.7279       144.7035 28.70753 12.03341 28.36590 9.881043 0.3416309 
15.57042 
1 1 1 21  22  30 o 24.37946 7.252090  109.0687       118.4312 20.70922       
248.7960 134.9562       134.6673 24.37217 11.08477 24.38674 9.354102 
-0.1456451E-01 14.50418 
1 1 1 21  22  31 o 23.69099 7.372670  59.86861       117.9654 174.5251       
256.9745 29.25577       132.7830 27.72643 12.00058 19.65555 8.568035 8.070881 
14.74534 
1 1 1 21  22  32 o 25.99084 6.999499  181.2655       121.3506 -119.9256      
258.7143 266.2219       137.4034 21.25606 10.18373 30.72562 9.605396 -9.469566 
13.99900 
1 1 1 21  22  33 o 19.11941 6.440115  -44.89161      118.7722 -62.52161      
259.0037 -40.19696      133.6537 21.33716 10.21459 16.90166 7.846173 4.435499 
12.88023 
1 1 1 21  22  34 o 22.17871 6.905305  107.4139       115.9249 25.80446       
263.1136 127.0718       129.1341 22.18469 10.51152 22.17272 8.957725 
0.1196480E-01  13.81061 
1 1 1 21  23  0  o 41.07371 6.950065  406.7366       118.2717 438.3150       
172.8914 378.9610       162.1478 42.58444 9.857369 39.56297 9.800299 3.021465 
13.90013 
1 1 1 21  23  1  o 53.49671 6.140774  662.8882       131.6338 624.9178       
204.0709 689.9442       172.2619 51.29016 9.827461 55.70326 7.365965 -4.413101 
12.28155 
1 1 1 21  23  2  o 38.70417 8.192971  370.0523       138.1743 325.4914       
258.2832 387.9187       163.5450 37.04652 13.17163 40.36182 9.747165 -3.315304 
16.38594 
1 1 1 21  23  3  o 36.40552 8.373598  284.1591       143.9279 447.2188       
243.1534 196.2141       178.5717 42.42253 12.68245 30.38851 10.93727 12.03402 
16.74720 
1 1 1 21  23  4  o 27.65032 8.106911  64.97401       148.8307 178.9633       
251.4578 3.510896       184.6461 31.93312 12.64860 23.36752 10.14401 8.565603 
16.21382 
1 1 1 21  23  5  f 63.39787 7.448610  931.2283       194.0970 900.1811       
275.9316 961.6372       273.0798 61.74906 11.04237 65.04668 9.999667 -3.297619 
14.89722 
1 1 1 21  23  6  o 46.67084 8.635721  530.8276       169.0311 509.9825       
270.2259 544.2261       216.6482 45.48322 13.31100 47.85846 11.00546 -2.375233 
17.27144 
1 1 1 21  23  7  o 43.70158 8.784369  460.3851       158.9689 440.1512       
303.0159 468.0689       186.7289 42.69090 14.32351 44.71225 10.17337 -2.021351 
17.56874 
1 1 1 21  23  8  o 116.9993 5.984575  3018.405       293.1859 3116.891       
433.1508 2935.131       398.2940 118.5905 8.699821 115.4080 8.220320 3.182457 
11.96915 
1 1 1 21  23  9  o 43.81493 8.528810  459.9716       161.6309 473.3171       
234.3188 447.8577       223.2444 44.36866 12.20384 43.26120 11.91758 1.107464 
17.05762 
1 1 1 21  23  10 o 32.52731 9.085989  172.2510       180.0892 142.3883       
232.4441 217.0932       284.8380 30.43182 12.12721 34.62279 13.53335 -4.190971 
18.17198 
1 1 1 21  23  11 f 44.38114 8.941053  483.5495       174.5860 530.0637       
221.2699 406.8310       284.1709 47.29036 11.28566 41.47192 13.87097 5.818443 
17.88211 
1 1 1 21  23  12 o 40.69984 8.575043  338.4044       167.8908 143.0547       
215.0269 643.4802       268.7139 29.78574 11.72854 51.61395 12.51266 -21.82822 
17.15009 
1 1 1 21  23  13 o 58.93436 8.262802  824.9136       196.4930 848.6593       
266.0418 796.4136       291.4604 60.30674 10.90780 57.56198 12.41433 2.744762 
16.52560 
1 1 1 21  23  14 o 25.82637 7.917895  -11.19158      164.2360 93.36046       
217.9479 -148.5726      249.8330 28.12828 11.53819 23.52447 10.84631 4.603809 
15.83579 
1 1 1 21  23  15 o 42.93359 8.596388  433.7266       167.4779 600.8342       
245.9495 289.2494       228.6901 49.98719 11.87882 35.87998 12.42921 14.10721 
17.19278 
1 1 1 21  23  16 o 57.35641 7.886632  701.7828       187.7136 309.9268       
236.7818 1364.678       307.9695 36.78632 12.65642 77.92649 9.413337 -41.14017 
15.77326 
1 1 1 21  23  17 o 57.68578 7.396242  775.8350       174.3854 704.5934       
250.8534 842.4606       242.5905 54.26626 11.37533 61.10529 9.456185 -6.839035 
14.79248 
1 1 1 21  23  18 o 25.34311 8.086004  -79.17200      182.7748 -12.02162      
268.5415 -137.1257      249.4755 27.17339 12.00114 23.51283 10.84004 3.660561 
16.17201 
1 1 1 21  23  19 o 97.64211 5.828223  1973.177       192.5726 2414.317       
441.6075 1869.593       213.9904 102.2274 10.28940 93.05684 5.477308 9.170547 
11.65645 
1 1 1 21  23  20 o 40.75027 8.475731  385.7776       140.1994 0.000000       
0.000000 385.7776       140.1994 ?        ?        40.75027 8.475731 ? ? 
1 1 1 21  23  21 o 36.46066 14.14650  299.4387       310.0420 299.4387       
310.0420 0.000000       0.000000 36.46066 14.14650 ?        ?        ? ? 
1 1 1 21  23  22 o 35.10034 8.634360  284.2787       135.2433 297.8061       
311.7191 281.1419       150.1071 36.09887 14.14788 34.10181 9.901822 1.997063 
17.26872 
1 1 1 21  23  23 o 39.04926 7.757864  404.4460       129.8874 286.1238       
251.6353 447.4213       151.6519 34.58030 12.90985 43.51821 8.606597 -8.937912 
15.51573 
1 1 1 21  23  24 o 33.44039 7.356524  293.8069       127.9529 69.88824       
228.3488 396.2910       154.4834 26.54250 11.39695 40.33828 9.305018 -13.79578 
14.71305 
1 1 1 21  23  25 o 22.95166 7.170084  9.664630       122.8487 49.69441       
231.4548 -6.035180      144.9512 25.87110 11.29443 20.03222 8.836073 5.838881 
14.34017 
1 1 1 21  23  26 o 33.31401 8.198589  255.1664       130.0424 401.3112       
244.6266 197.5985       153.5332 37.91640 12.86971 28.71162 10.16061 9.204773 
16.39718 
1 1 1 21  23  27 o 51.41735 7.198755  719.4938       135.7877 555.9011       
251.4670 786.8275       161.3300 43.95286 12.83348 58.88185 6.526118 -14.92899 
14.39751 
1 1 1 21  23  28 o 47.65652 7.208441  588.8865       120.2790 583.9904       
255.5845 590.2793       136.3175 44.40516 12.92931 50.90788 6.378044 -6.502720 
14.41688 
1 1 1 21  23  29 o 45.39735 7.189670  605.8611       124.7935 413.0843       
246.8664 672.0331       144.6343 36.67574 12.89356 54.11897 6.365651 -17.44324 
14.37934 
1 1 1 21  23  30 o 22.15416 7.051698  -58.61584      115.6786 221.8360       
242.9262 -140.8588      131.5511 29.27484 12.11708 15.03347 7.216791 14.24137 
14.10340 
1 1 1 21  23  31 o 32.15630 8.059143  268.5325       116.1774 420.2351       
259.7079 230.5803       129.8994 35.13814 13.11585 29.17447 9.368752 5.963669 
16.11829 
1 1 1 21  23  32 o 18.85362 6.386559  -81.78010      119.7197 -85.72269      
254.1613 -80.65590      135.7193 21.42963 10.22516 16.27762 7.654978 5.152016 
12.77312 
1 1 1 21  23  33 o 21.01565 6.390489  69.53699       112.7898 -327.9378      
266.6477 156.1512       124.4737 18.18973 9.037928 23.84156 9.037104 -5.651829 
12.78098 
1 1 1 21  23  34 o 23.86730 6.745781  167.9871       110.1889 -76.72231      
265.7248 218.8040       121.0906 20.68159 10.00177 27.05301 9.054660 -6.371416 
13.49156 
1 1 1 21  24  0  o 39.54396 7.829319  406.1913       137.5541 318.7293       
213.9237 467.8434       179.6070 35.49316 12.03501 43.59475 10.01756 -8.101589 
15.65864 
1 1 1 21  24  1  o 34.49295 7.676517  308.1763       129.0495 149.2969       
240.9390 372.0912       152.8181 29.71972 12.15128 39.26617 9.384134 -9.546448 
15.35303 
1 1 1 21  24  2  o 40.78477 6.720887  460.0806       132.3896 66.43123       
225.3176 667.6403       163.6108 26.78649 11.40520 54.78305 7.113556 -27.99656 
13.44177 
1 1 1 21  24  3  o 36.23520 8.686322  319.1016       153.9194 292.2393       
265.8416 332.6475       188.7805 35.61665 13.27472 36.85376 11.20672 -1.237110 
17.37264 
1 1 1 21  24  4  o 47.31494 7.764020  501.3663       150.0464 782.1730       
250.2808 343.8134       187.4722 57.02576 10.84505 37.60413 11.11328 19.42163 
15.52804 
1 1 1 21  24  5  o 76.12703 6.491016  1317.891       206.6321 1342.496       
282.0833 1289.402       303.5388 77.18469 8.704971 75.06936 9.631025 2.115334 
12.98203 
1 1 1 21  24  6  o 27.34786 8.134507  59.21998       158.0667 136.4429       
242.8397 2.448986       208.2139 30.13204 12.23939 24.56367 10.71812 5.568371 
16.26901 
1 1 1 21  24  7  o 35.09270 8.399350  244.0359       143.2723 430.6633       
249.7636 152.5080       174.9114 41.79124 12.92747 28.39416 10.72739 13.39708 
16.79870 
1 1 1 21  24  8  o 88.77335 5.472272  1725.745       202.9124 1614.103       
270.8215 1868.628       306.3800 85.63870 7.532413 91.90800 7.940140 -6.269302 
10.94454 
1 1 1 21  24  9  o 43.60030 7.732517  454.3434       141.4091 439.2692       
198.6337 469.8342       201.3595 42.84489 10.98998 44.35571 10.88061 -1.510815 
15.46503 
1 1 1 21  24  10 o 51.94147 8.531356  654.5996       182.6633 627.4748       
258.1989 681.7774       258.4510 50.74284 12.24286 53.14009 11.88480 -2.397243 
17.06271 
1 1 1 21  24  11 o 49.51376 8.664953  597.4769       179.1516 595.8371       
246.6313 599.3086       260.6683 49.57623 11.96803 49.45129 12.53363 0.1249390 
17.32991 
1 1 1 21  24  12 f 27.88084 8.375618  21.57959       181.9771 175.6340       
237.5010 -197.4579      283.1962 31.52437 12.35048 24.23731 11.31679 7.287062 
16.75124 
1 1 1 21  24  13 o 31.20643 8.948931  130.2628       175.5096 77.84716       
217.4999 228.1014       297.1556 27.45041 11.41997 34.96244 13.78106 -7.512035 
17.89786 
1 1 1 21  24  14 o 29.86599 8.740340  105.8137       173.5840 81.42945       
218.6569 147.3722       285.4556 27.58700 11.46188 32.14497 13.19847 -4.557972 
17.48068 
1 1 1 21  24  15 o 57.84074 7.530129  786.6444       175.9311 834.3375       
257.3253 744.7842       241.0770 59.48734 10.69226 56.19415 10.60598 3.293186 
15.06026 
1 1 1 21  24  16 o 42.85725 9.306175  441.2189       187.0735 312.4999       
250.1582 604.5356       281.7792 36.75454 12.97335 48.95996 13.34585 -12.20543 
18.61235 
1 1 1 21  24  17 o 86.29639 5.997449  1668.883       177.6047 1664.506       
379.7614 1670.108       200.9328 84.61290 10.69043 87.97989 5.439869 -3.366989 
11.99490 
1 1 1 21  24  18 o 30.89089 8.179867  185.8177       119.2713 196.3854       
286.7481 183.6069       131.1553 33.18911 13.37309 28.59266 9.423448 4.596453 
16.35973 
1 1 1 21  24  19 o 47.42795 8.163600  486.5480       131.9375 685.8797       
312.2234 443.2158       145.5736 51.02686 14.11016 43.82904 8.214665 7.197819 
16.32720 
1 1 1 21  24  20 o 51.79665 7.677115  569.9973       132.6123 797.8859       
312.3744 519.8965       146.4659 55.23256 13.55409 48.36075 7.213807 6.871815 
15.35423 
1 1 1 21  24  21 o 48.92106 7.801565  536.1907       131.4147 682.9120       
299.6174 501.2414       146.2311 50.51055 13.75882 47.33158 7.358848 3.178970 
15.60313 
1 1 1 21  24  22 o 19.82010 8.649566  -0.9126740     135.6413 0.000000       
0.000000 -0.9126740     135.6413 ?        ?        19.82010 8.649566 ? ? 
1 1 1 21  24  23 o 25.40477 7.405017  94.28110       124.7982 74.85911       
207.2993 105.3215       156.2944 25.89410 10.97927 24.91544 9.939458 0.9786625 
14.81003 
1 1 1 21  24  24 o 24.97771 7.181066  102.5374       116.7998 -15.28484      
222.9242 147.1204       137.1288 23.89844 10.71452 26.05699 9.563993 -2.158552 
14.36213 
1 1 1 21  24  25 o 59.44721 6.671605  863.0251       141.1144 843.0471       
269.6650 870.5588       165.5977 56.56522 11.74710 62.32920 6.328254 -5.763981 
13.34321 
1 1 1 21  24  26 o 27.56533 7.747378  106.9389       121.4992 314.0409       
239.5309 35.19430       140.9821 34.13332 12.62478 20.99733 8.983445 13.13599 
15.49476 
1 1 1 21  24  27 o 22.79153 6.900591  61.25425       114.0946 -98.25851      
236.2176 109.7912       130.3020 22.09530 10.32400 23.48776 9.159019 -1.392464 
13.80118 
1 1 1 21  24  28 o 39.92473 7.262661  458.8554       120.7142 318.6320       
244.8771 503.8695       138.7435 33.36241 12.66683 46.48705 7.108887 -13.12464 
14.52532 
1 1 1 21  24  29 o 38.78904 7.687225  412.9153       119.3595 437.3260       
246.1756 405.4131       136.4741 37.37907 12.90071 40.19900 8.363340 -2.819923 
15.37445 
1 1 1 21  24  30 o 24.05176 6.666836  130.9798       101.3896 -23.88068      
208.2370 179.0997       116.0780 21.68718 9.959610 26.41633 8.865269 -4.729145 
13.33367 
1 1 1 21  24  31 o 73.32103 5.894464  1430.655       153.9300 1146.643       
283.4987 1549.390       183.3034 64.09136 10.53592 82.55070 5.288968 -18.45934 
11.78893 
1 1 1 21  24  32 o 27.80622 7.419257  229.0367       110.4843 188.6490       
260.6047 237.8864       121.9899 26.55738 11.76373 29.05506 9.044122 -2.497679 
14.83851 
1 1 1 21  24  33 o 19.48685 6.573170  -48.47093      108.9089 130.3112       
257.6967 -87.34717      120.1680 24.20226 11.09988 14.77144 7.044077 9.430820 
13.14634 
1 1 1 21  25  0  o 21.50158 6.583622  17.59107       110.7215 56.93401       
152.2495 -26.57418      161.3106 22.62425 9.491688 20.37890 9.126016 2.245350 
13.16724 
1 1 1 21  25  1  o 38.46550 7.039357  369.5098       114.6231 350.1120       
168.8376 386.0939       156.1123 37.28372 10.39881 39.64727 9.490783 -2.363556 
14.07871 
1 1 1 21  25  2  o 32.19566 7.860390  256.7277       134.2707 115.1506       
241.0531 320.4145       161.6743 28.45443 11.94070 35.93688 10.22558 -7.482447 
15.72078 
1 1 1 21  25  3  o 36.97146 8.250511  346.8481       142.9255 315.6857       
227.1328 367.2762       183.8990 35.62674 12.38245 38.31618 10.90682 -2.689445 
16.50102 
1 1 1 21  25  4  o 67.65717 6.127645  1019.477       171.6906 1260.905       
269.3109 854.1666       222.8488 74.24006 8.640455 61.07427 8.691067 13.16579 
12.25529 
1 1 1 21  25  5  o 29.70071 8.145967  161.1836       150.3342 249.4793       
206.9232 62.47795       218.7813 32.93579 11.78154 26.46564 11.25266 6.470152 
16.29193 
1 1 1 21  25  6  o 75.18008 5.365266  1262.158       169.0195 1220.693       
243.7749 1300.544       234.5512 73.82506 7.865138 76.53511 7.299583 -2.710052 
10.73053 
1 1 1 21  25  7  o 38.66778 7.960271  357.7730       134.0792 407.2958       
217.3962 327.3712       170.3331 40.50657 11.96624 36.82899 10.50108 3.677582 
15.92054 
1 1 1 21  25  8  o 49.77015 7.356315  585.8790       151.9963 425.9724       
209.8135 762.4808       220.4944 41.59808 11.58896 57.94222 9.064076 -16.34414 
14.71263 
1 1 1 21  25  9  o 51.18578 7.147268  618.0286       150.2675 707.9869       
210.4109 524.3882       214.6738 55.93418 8.960084 46.43737 11.13780 9.496807 
14.29454 
1 1 1 21  25  10 o 80.59151 6.299047  1442.009       210.2852 1323.214       
272.0847 1618.228       331.3831 76.83219 8.434939 84.35084 9.357550 -7.518646 
12.59809 
1 1 1 21  25  11 o 27.24264 8.275146  31.41755       160.6599 -14.66436      
196.0092 125.7580       280.4532 23.40386 10.30391 31.08143 12.95151 -7.677570 
16.55029 
1 1 1 21  25  12 o 29.40200 8.417008  120.0637       160.4276 62.75600       
210.4203 199.6189       247.9221 26.43875 11.12836 32.36525 12.63106 -5.926506 
16.83402 
1 1 1 21  25  13 o 43.96953 9.080984  470.0535       176.7102 387.1315       
229.8603 589.8799       276.3156 39.70421 12.42590 48.23484 13.24591 -8.530628 
18.16197 
1 1 1 21  25  14 o 28.35607 8.305043  72.56675       168.5129 205.3127       
238.7815 -59.14301      237.8478 32.25690 12.43554 24.45524 11.01146 7.801661 
16.61009 
1 1 1 21  25  15 o 34.25149 6.782052  318.2658       119.3479 -132.1132      
279.1609 418.9956       132.0214 24.93399 11.48444 43.56898 7.217521 -18.63499 
13.56410 
1 1 1 21  25  16 o 57.61444 7.162505  699.7565       129.1059 917.5314       
318.5108 656.9409       141.2283 60.32988 12.94838 54.89900 6.127429 5.430885 
14.32501 
1 1 1 21  25  17 o 62.32329 6.866848  821.7148       129.3406 1044.175       
328.3622 780.8604       140.7169 64.64611 12.54629 60.00047 5.586150 4.645641 
13.73370 
1 1 1 21  25  18 o 55.05026 7.584040  753.0383       130.8220 682.4760       
308.1776 768.5489       144.4866 50.69872 14.01802 59.40181 5.793605 -8.703091 
15.16808 
1 1 1 21  25  19 o 45.12489 7.774540  531.9829       133.6093 407.3216       
282.3678 567.9456       151.6618 39.73912 13.80674 50.51065 7.151781 -10.77153 
15.54908 
1 1 1 21  25  20 o 33.78789 7.261255  297.5045       124.4110 70.88064       
226.9069 394.9175       148.7658 26.85689 11.44057 40.71890 8.945202 -13.86201 
14.52251 
1 1 1 21  25  21 o 43.49638 7.502990  467.8836       124.4270 471.6938       
243.3053 466.5341       144.7934 42.25220 12.69754 44.74057 7.996992 -2.488369 
15.00598 
1 1 1 21  25  22 o 24.73400 6.900905  99.57901       112.9461 -67.40941      
201.6264 175.9416       136.3467 21.76052 9.918818 27.70749 9.597240 -5.946962 
13.80181 
1 1 1 21  25  23 o 51.80762 6.456722  664.3009       124.5448 582.4957       
220.2542 702.7523       151.0044 47.51208 11.20966 56.10316 6.410965 -8.591080 
12.91344 
1 1 1 21  25  24 o 36.86291 14.02536  375.4051       300.7427 0.000000       
0.000000 375.4051       300.7427 ?        ?        36.86291 14.02536 ? ? 
1 1 1 21  25  25 o 26.30155 7.352260  137.8087       114.4617 141.6759       
204.7097 136.0498       138.0600 27.36965 11.19715 25.23345 9.531360 2.136204 
14.70452 
1 1 1 21  25  26 o 31.06081 7.777248  245.6501       119.3832 232.2343       
235.3223 250.2996       138.5343 30.81032 12.22589 31.31130 9.616126 
-0.5009861     15.55450 
1 1 1 21  25  27 o 24.03771 7.006087  100.5818       114.6111 -84.75365      
240.8867 154.8138       130.3051 22.40498 10.45193 25.67043 9.332641 -3.265455 
14.01217 
1 1 1 21  25  28 o 31.97572 7.868914  270.7065       118.8355 301.9530       
243.3413 260.9210       136.1781 32.43319 12.54329 31.51825 9.504998 0.9149361 
15.73783 
1 1 1 21  25  29 o 25.46789 7.548441  64.10373       115.8952 318.9699       
248.1677 -6.984419      131.0653 32.47422 12.64475 18.46156 8.247794 14.01267 
15.09688 
1 1 1 21  25  30 o 27.30915 7.358196  201.4783       115.1397 79.24128       
254.8898 232.8158       129.0575 25.24652 11.38171 29.37177 9.328924 -4.125254 
14.71639 
1 1 1 21  25  31 o 22.41665 7.068283  -16.51755      94.63430 309.9617       
252.0792 -70.07915      102.1024 30.57130 12.45252 14.26200 6.691584 16.30931 
14.13657 
1 1 1 21  25  32 o 18.72411 6.209360  -10.97659      102.1016 -129.5503      
254.4181 11.78607       111.4719 20.21565 9.778205 17.23256 7.655803 2.983095 
12.41872 
1 1 1 21  25  33 o 20.46638 6.501420  62.08242       108.4616 -99.78854      
260.2231 96.11575       119.3201 20.29203 9.827949 20.64073 8.513830 
-0.3486958     13.00284 
1 1 1 21  26  0  o 32.45817 6.599134  238.4917       111.8302 461.9337       
163.2540 40.95279       153.4998 43.04173 9.298277 21.87462 9.366769 21.16711 
13.19827 
1 1 1 21  26  1  f 37.30704 6.894976  351.5953       109.7692 312.4348       
155.4936 390.4985       154.9819 35.04390 10.04645 39.57019 9.446247 -4.526295 
13.78995 
1 1 1 21  26  2  o 18.45546 6.040314  -87.33535      110.3217 -138.3869      
177.1340 -54.98325      141.0097 18.62374 8.754514 18.28718 8.324667 0.3365574 
12.08063 
1 1 1 21  26  3  o 20.08401 6.480682  -90.93245      121.7433 24.16992       
185.2283 -178.4722      161.5354 23.27383 10.13252 16.89420 8.082637 6.379631 
12.96136 
1 1 1 21  26  4  o 30.57789 8.060402  202.9152       145.1269 91.57597       
214.7310 296.5372       196.9064 26.75100 11.24993 34.40478 11.54641 -7.653778 
16.12080 
1 1 1 21  26  5  o 43.64556 8.382285  489.3326       158.9361 575.3338       
229.4769 410.0430       220.3406 47.48434 11.59533 39.80677 12.10782 7.677567 
16.76457 
1 1 1 21  26  6  o 47.11381 7.775387  555.9759       151.5732 627.4407       
212.2288 481.5713       216.5501 50.71949 10.32508 43.50813 11.62839 7.211365 
15.55077 
1 1 1 21  26  7  o 25.65821 7.202753  17.78513       127.1894 265.4255       
202.8729 -142.5860      163.2588 33.41334 11.69393 17.90308 8.412519 15.51027 
14.40551 
1 1 1 21  26  8  o 65.60555 6.307874  986.6917       173.6481 1018.765       
250.6178 957.0757       240.8259 66.60361 8.962625 64.60748 8.878539 1.996132 
12.61575 
1 1 1 21  26  9  o 32.98315 8.508279  241.8740       154.3897 304.5430       
225.5790 186.6502       211.7561 35.51639 12.34042 30.44991 11.71654 5.066477 
17.01656 
1 1 1 21  26  10 o 75.01231 6.788182  1306.411       212.2222 1345.147       
287.0074 1259.683       315.2289 76.72738 8.909717 73.29726 10.24376 3.430122 
13.57636 
1 1 1 21  26  11 o 28.12780 8.246344  39.75517       161.3905 -89.50883      
202.8677 262.6065       266.3678 21.69905 9.908579 34.55656 13.18441 -12.85752 
16.49269 
1 1 1 21  26  12 o 24.01947 7.854053  -147.9470      187.5641 -246.9483      
260.1049 -40.69603      270.7252 21.83943 10.39674 26.19951 11.77508 -4.360083 
15.70811 
1 1 1 21  26  13 o 27.33352 7.991508  108.6746       129.2047 37.26910       
294.4310 125.7046       143.7891 28.93193 12.68369 25.73511 9.725269 3.196821 
15.98302 
1 1 1 21  26  14 o 32.65782 8.465754  205.3476       119.3197 308.6429       
306.7878 186.9374       129.5170 36.69511 14.10616 28.62053 9.364408 8.074579 
16.93151 
1 1 1 21  26  15 f 29.33824 8.077951  143.4732       119.4809 237.6576       
268.8164 120.2860       133.3799 33.64895 13.14835 25.02752 9.387975 8.621429 
16.15590 
1 1 1 21  26  16 o 53.67023 7.653899  826.6797       133.6990 481.9190       
301.6292 910.9799       149.1518 42.59127 14.29070 64.74920 5.486752 -22.15792 
15.30780 
1 1 1 21  26  17 o 32.97855 8.173132  208.5176       119.9031 386.2676       
260.3026 160.6451       135.0880 38.84619 13.27566 27.11090 9.537147 11.73529 
16.34626 
1 1 1 21  26  18 f 37.91938 8.303273  311.4533       118.5303 461.9186       
289.3439 281.1111       129.9330 41.55679 13.99665 34.28198 8.937066 7.274811 
16.60655 
1 1 1 21  26  19 o 36.66227 6.948990  362.3677       114.2204 155.7008       
228.6351 431.1007       131.8531 29.45926 11.91191 43.86528 7.159628 -14.40602 
13.89798 
1 1 1 21  26  20 o 26.55585 7.553527  102.6203       113.3832 197.9232       
230.0342 72.03645       130.3123 30.78988 12.12871 22.32182 9.006527 8.468063 
15.10705 
1 1 1 21  26  21 o 22.72397 6.898526  40.35770       115.5383 -144.0327      
236.4519 98.19187       132.4238 21.90894 10.26209 23.53900 9.222150 -1.630062 
13.79705 
1 1 1 21  26  22 o 26.10638 7.440258  121.7174       116.3446 99.27489       
227.0027 129.7129       135.4936 27.11356 11.49240 25.09920 9.452746 2.014357 
14.88052 
1 1 1 21  26  23 o 36.30656 7.354680  349.4763       117.7059 278.2107       
205.4384 384.3036       143.6155 32.97672 11.74488 39.63640 8.855674 -6.659679 
14.70936 
1 1 1 21  26  24 o 41.33270 6.945934  462.8931       118.5095 322.8381       
210.4486 527.9307       143.4099 34.65951 11.93120 48.00588 7.115502 -13.34637 
13.89187 
1 1 1 21  26  25 o 32.80670 7.699157  275.4403       118.2088 311.9952       
210.4219 258.5848       142.8862 33.84848 11.90342 31.76492 9.768147 2.083567 
15.39831 
1 1 1 21  26  26 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  26  27 o 23.26349 6.847530  84.35954       114.3263 -79.31670      
216.4006 147.7308       134.6517 21.29189 9.922523 25.23509 9.439185 -3.943201 
13.69506 
1 1 1 21  26  28 o 27.69594 6.790596  207.0417       114.6365 -121.1688      
246.3435 297.7623       129.5143 21.56697 10.19625 33.82491 8.971357 -12.25793 
13.58119 
1 1 1 21  26  29 o 25.89508 7.241903  148.7767       107.2418 214.2127       
202.2126 123.1698       126.4966 28.39831 11.31292 23.39185 9.044254 5.006460 
14.48381 
1 1 1 21  26  30 o 28.24153 7.710556  109.7466       105.5709 501.3132       
256.1363 29.61354       115.8708 37.88777 13.15111 18.59529 8.053504 19.29248 
15.42111 
1 1 1 21  26  31 o 24.93711 7.021926  167.5453       108.9584 21.28093       
255.2709 200.1292       120.4852 23.04580 10.75420 26.82842 9.031996 -3.782627 
14.04385 
1 1 1 21  26  32 o 23.53819 6.994183  133.4934       95.75903 154.7249       
256.7991 130.0643       103.2027 24.80691 11.27692 22.26947 8.276800 2.537443 
13.98837 
1 1 1 21  27  0  o 36.47683 6.843126  358.7630       113.3837 214.7725       
170.7520 472.3261       151.6413 29.20993 10.67706 43.74373 8.562356 -14.53379 
13.68625 
1 1 1 21  27  1  o 24.55639 7.083400  102.5674       117.8289 28.94471       
185.1410 152.6886       152.7594 22.87389 10.04265 26.23888 9.992167 -3.364986 
14.16680 
1 1 1 21  27  2  o 17.51408 5.697030  -97.31200      102.7826 -273.4727      
165.8025 12.63619       130.9877 15.40795 7.552945 19.62021 8.530979 -4.212261 
11.39406 
1 1 1 21  27  3  o 35.59196 7.374563  326.6911       117.5201 303.2670       
167.8681 349.2059       164.5777 34.29236 10.59629 36.89157 10.25941 -2.599213 
14.74913 
1 1 1 21  27  4  o 27.52729 7.140098  160.3556       109.3934 99.93785       
146.2645 237.0567       164.8001 24.05689 9.609514 30.99769 10.56320 -6.940802 
14.28020 
1 1 1 21  27  5  o 27.05872 7.823135  115.9775       142.0973 55.48005       
194.1005 185.8465       208.5931 24.57242 10.52781 29.54502 11.57458 -4.972605 
15.64627 
1 1 1 21  27  6  o 30.07884 8.256408  194.6437       149.0257 188.1565       
220.4163 200.1063       202.2605 30.05510 11.86191 30.10258 11.48773 
-0.4747963E-01 16.51282 
1 1 1 21  27  7  o 49.88683 6.933253  672.2047       142.7482 281.8349       
216.2459 973.6832       190.0369 33.81568 12.04924 65.95799 6.862646 -32.14231 
13.86651 
1 1 1 21  27  8  o 28.70893 7.891872  120.2415       146.5302 303.7966       
217.9528 -31.15228      197.9399 34.88203 12.12906 22.53584 10.10012 12.34619 
15.78374 
1 1 1 21  27  9  o 67.42519 6.408099  1068.850       178.6351 928.7682       
262.0016 1190.537       244.1938 62.55241 9.976564 72.29798 8.045065 -9.745575 
12.81620 
1 1 1 21  27  10 o 55.79533 7.268702  670.2783       128.5649 894.7592       
313.0465 624.7343       141.0051 58.38584 13.09534 53.20481 6.312550 5.181030 
14.53740 
1 1 1 21  27  11 o 22.82279 7.104496  -37.30291      112.8869 133.8386       
233.6286 -89.42995      128.9377 29.00087 11.92945 16.64470 7.719047 12.35617 
14.20899 
1 1 1 21  27  12 o 25.98987 7.753530  87.31668       123.9925 4.758737       
290.6478 105.6846       137.0936 27.66956 12.32399 24.31018 9.412127 3.359375 
15.50706 
1 1 1 21  27  13 o 51.27739 7.350150  644.1901       122.5332 618.8827       
281.8445 650.0884       136.0649 48.10841 13.44123 54.44637 5.952486 -6.337959 
14.70030 
1 1 1 21  27  14 o 31.70139 8.125181  203.4240       116.5228 297.6582       
267.3734 181.3303       129.4639 35.30518 13.28225 28.09760 9.362487 7.207577 
16.25036 
1 1 1 21  27  15 o 96.55453 5.783425  2080.496       196.9373 2209.179       
411.1541 2042.182       224.3476 96.36288 10.16286 96.74619 5.523428 
-0.3833160     11.56685 
1 1 1 21  27  16 o 49.51936 6.330919  486.3227       117.2523 817.6816       
236.6490 378.5109       134.9860 58.96051 9.560146 40.07821 8.302152 18.88230 
12.66184 
1 1 1 21  27  17 o 36.92268 7.958889  271.7049       118.5760 537.5170       
251.4782 195.7124       134.4616 44.95241 12.74110 28.89294 9.541486 16.05947 
15.91778 
1 1 1 21  27  18 o 45.27956 7.221279  513.7551       118.5405 473.2593       
247.1433 525.8550       135.0944 41.99102 12.83326 48.56809 6.625328 -6.577072 
14.44256 
1 1 1 21  27  19 o 21.53999 6.546047  13.66782       112.2200 -245.1693      
222.5334 101.9380       129.9538 19.46557 9.354569 23.61440 9.159418 -4.148838 
13.09209 
1 1 1 21  27  20 o 30.10329 7.991782  104.9532       117.0905 444.2453       
267.0598 24.20849       130.2803 39.99882 13.44687 20.20775 8.640372 19.79107 
15.98356 
1 1 1 21  27  21 o 26.79879 7.297626  146.2227       123.2286 -40.97021      
230.1517 221.4541       145.9046 23.52121 10.68802 30.07637 9.939198 -6.555162 
14.59525 
1 1 1 21  27  22 o 36.62245 7.450594  314.1134       112.8485 456.0443       
208.5373 255.3400       134.1948 41.24123 11.57458 32.00367 9.384797 9.237560 
14.90119 
1 1 1 21  27  23 o 21.99388 6.864214  -12.21270      112.1913 114.7178       
211.9932 -61.59297      132.2256 26.64837 11.19101 17.33940 7.951790 9.308971 
13.72843 
1 1 1 21  27  24 o 27.12990 7.290588  116.1707       111.5717 313.8203       
201.8842 29.25868       133.8735 33.97078 11.68670 20.28903 8.719615 13.68175 
14.58118 
1 1 1 21  27  25 o 24.26277 7.040626  27.74772       111.4891 265.7716       
205.4713 -71.57170      132.7266 31.57152 11.68969 16.95403 7.850651 14.61749 
14.08125 
1 1 1 21  27  26 o 26.99898 7.268979  176.8777       115.1521 81.02510       
214.4352 215.7198       136.5039 25.05747 10.90548 28.94049 9.613673 -3.883024 
14.53796 
1 1 1 21  27  27 o 21.56470 6.951516  -17.04495      125.0594 49.34510       
236.7998 -42.72439      147.2728 24.67069 11.05228 18.45872 8.434534 6.211971 
13.90303 
1 1 1 21  27  28 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  27  29 o 23.85746 7.400774  78.47361       147.2612 -199.6463      
304.2386 163.5706       168.2889 21.94298 10.62739 25.77194 10.30264 -3.828959 
14.80155 
1 1 1 21  27  30 o 20.72773 6.774537  -15.79960      89.30167 189.4399       
252.1627 -45.23145      95.49027 26.99423 11.78677 14.46122 6.682027 12.53300 
13.54907 
1 1 1 21  27  31 o 21.63933 6.620381  91.88550       105.0506 -84.08583      
256.0880 127.4880       115.1884 20.88583 10.03661 22.39284 8.636216 -1.507010 
13.24076 
1 1 1 21  27  32 o 25.58145 7.197227  194.1532       103.8340 193.3090       
256.9688 194.3180       113.5137 25.30438 11.41681 25.85852 8.766798 
-0.5541420     14.39445 
1 1 1 21  28  0  o 28.07861 11.23361  191.1705       200.3027 191.1705       
200.3027 0.000000       0.000000 28.07861 11.23361 ?        ?        ? ? 
1 1 1 21  28  1  o 21.70834 6.408138  53.15675       97.08638 1.793133       
126.5188 126.7206       151.4117 18.69940 8.250765 24.71728 9.807234 -6.017879 
12.81628 
1 1 1 21  28  2  o 21.91731 6.337660  74.59088       92.90990 51.16805       
130.6980 98.51974       132.1022 20.86754 8.776298 22.96708 9.145510 -2.099545 
12.67532 
1 1 1 21  28  3  o 21.45367 6.462479  44.02991       102.2091 27.07402       
139.8566 63.46696       149.7400 20.53825 8.870783 22.36910 9.400199 -1.830845 
12.92496 
1 1 1 21  28  4  o 22.54255 6.462781  28.82370       109.3239 187.3086       
150.5381 -148.0359      159.0255 27.98992 10.04530 17.09519 8.134014 10.89473 
12.92556 
1 1 1 21  28  5  o 19.54222 5.985120  -57.05169      104.6574 -276.0106      
158.3903 112.6270       139.4315 14.89334 7.326763 24.19110 9.466002 -9.297765 
11.97024 
1 1 1 21  28  6  o 23.33810 6.364716  104.9812       84.79305 85.32420       
153.2607 113.6524       101.7914 23.65909 9.685331 23.01712 8.260315 0.6419773 
12.72943 
1 1 1 21  28  7  o 20.07032 6.680470  -53.17148      96.45280 -74.68607      
271.3005 -50.05871      103.1947 24.59118 11.32464 15.54947 7.089945 9.041708 
13.36094 
1 1 1 21  28  8  o 23.62061 6.767903  90.16812       103.7321 -195.3836      
253.5706 147.5602       113.6796 21.74446 10.31059 25.49675 8.769820 -3.752291 
13.53581 
1 1 1 21  28  9  o 26.21800 7.203952  140.9766       106.2342 -19.91528      
252.7056 175.5139       117.0825 25.11718 11.32761 27.31882 8.903543 -2.201635 
14.40790 
1 1 1 21  28  10 o 25.08682 7.639452  48.78574       115.7383 144.0578       
271.7537 27.67570       127.9197 29.93527 12.62557 20.23838 8.604643 9.696894 
15.27890 
1 1 1 21  28  11 o 30.74184 8.128908  170.8097       115.2592 345.2117       
268.8304 131.5307       127.5801 36.43047 13.38913 25.05321 9.222135 11.37725 
16.25782 
1 1 1 21  28  12 f 28.76108 7.863699  167.3305       121.0435 172.3162       
252.9232 165.8494       137.8556 30.35715 12.43717 27.16500 9.626413 3.192146 
15.72740 
1 1 1 21  28  13 o 70.94337 4.905400  1123.307       136.6853 1149.469       
239.8669 1110.726       166.3330 70.72771 8.077960 71.15903 5.567618 
-0.4313278     9.810801 
1 1 1 21  28  14 o 49.22320 7.051746  677.5544       124.6970 413.0586       
243.3240 771.7595       145.2155 39.26727 12.83540 59.17913 5.844745 -19.91186 
14.10349 
1 1 1 21  28  15 o 26.80856 7.344829  105.4322       114.4010 257.4614       
201.6664 33.29404       138.9161 32.49306 11.63015 21.12406 8.973607 11.36900 
14.68966 
1 1 1 21  28  16 o 24.98319 7.157430  84.34521       104.3765 173.5052       
204.8159 53.06697       121.3109 29.06333 11.44586 20.90306 8.596951 8.160269 
14.31486 
1 1 1 21  28  17 o 43.83855 7.289201  507.7557       122.0235 403.8769       
245.0248 542.0152       140.7139 38.59517 12.88018 49.08192 6.828674 -10.48675 
14.57840 
1 1 1 21  28  18 o 26.76352 6.239781  143.9654       111.9326 -317.1479      
220.0966 304.8304       129.9991 18.17385 8.862658 35.35318 8.785943 -17.17933 
12.47956 
1 1 1 21  28  19 o 23.87323 7.095537  65.90594       123.7428 -215.7544      
264.0026 145.2082       140.0838 21.81678 10.41258 25.92969 9.641820 -4.112906 
14.19107 
1 1 1 21  28  20 o 27.21032 7.536470  153.5239       118.6673 127.2836       
224.8093 163.6594       139.7183 27.63882 11.56136 26.78183 9.671013 0.8569908 
15.07294 
1 1 1 21  28  21 o 23.06784 7.259410  18.25841       134.0661 -109.3374      
263.6283 62.76730       155.7031 23.35014 10.90886 22.78554 9.580856 0.5646019 
14.51882 
1 1 1 21  28  22 o 29.37567 7.437505  206.1296       110.6818 237.8640       
196.7667 191.4409       133.8685 30.75836 11.42924 27.99299 9.520420 2.765369 
14.87501 
1 1 1 21  28  23 o 32.98738 6.905972  313.4238       121.8415 10.37941       
233.4313 426.9013       142.8437 24.27933 10.92180 41.69543 8.454824 -17.41610 
13.81194 
1 1 1 21  28  24 o 28.11476 7.506194  161.3820       114.4053 302.9701       
207.3968 99.45404       137.1615 33.07506 11.79865 23.15446 9.282443 9.920593 
15.01239 
1 1 1 21  28  25 o 19.68319 6.620713  -98.39951      117.0498 -52.25112      
259.9744 -110.1329      131.0881 23.57648 10.94407 15.78991 7.454046 7.786577 
13.24143 
1 1 1 21  28  26 o 29.69543 8.194285  219.4480       135.1451 289.3910       
262.6313 194.2571       157.6143 31.76311 12.79842 27.62774 10.23648 4.135370 
16.38857 
1 1 1 21  28  27 o 26.57258 7.638950  166.1014       137.8800 -32.70101      
282.7271 228.1367       157.9340 24.12997 11.28248 29.01519 10.30145 -4.885225 
15.27790 
1 1 1 21  28  28 o 20.63165 6.819675  -30.94827      130.2420 -176.7155      
286.8243 6.914684       146.1818 21.74595 10.49177 19.51735 8.715203 2.228601 
13.63935 
1 1 1 21  28  29 f 26.88673 8.071946  110.0627       118.4149 439.1578       
302.0292 50.28767       128.7206 33.86782 13.69244 19.90564 8.552338 13.96218 
16.14389 
1 1 1 21  28  30 o 29.93462 13.12942  349.5364       315.7924 349.5364       
315.7924 0.000000       0.000000 29.93462 13.12942 ?        ?        ? ? 
1 1 1 21  28  31 o 20.48232 6.916948  -18.55951      136.6929 18.51527       
303.2473 -28.01362      153.1327 22.99771 11.01990 17.96692 8.362919 5.030788 
13.83390 
1 1 1 21  29  0  o 24.54736 6.003045  154.5229       79.53116 57.56492       
145.6641 195.7025       94.92953 21.27870 9.118508 27.81601 7.810185 -6.537312 
12.00609 
1 1 1 21  29  1  o 30.17964 10.22168  247.9656       154.3159 247.9656       
154.3159 0.000000       0.000000 30.17964 10.22168 ?        ?        ? ? 
1 1 1 21  29  2  o 18.73799 5.832924  14.47151       82.11272 -5.592239      
156.5645 22.08435       96.44077 20.04158 8.982457 17.43439 7.443620 2.607187 
11.66585 
1 1 1 21  29  3  o 16.15217 5.342315  -79.83092      87.84464 -111.6004      
147.6472 -62.42311      109.2931 16.89621 7.957068 15.40812 7.130666 1.488085 
10.68463 
1 1 1 21  29  4  o 52.48386 4.776836  637.0315       98.83968 623.1249       
169.5903 644.1851       121.6331 51.20441 7.888867 53.76332 5.388733 -2.558903 
9.553673 
1 1 1 21  29  5  o 30.47574 6.355388  243.7880       89.69936 161.7122       
150.3037 289.1898       111.7889 26.50799 9.961347 34.44348 7.895278 -7.935490 
12.71078 
1 1 1 21  29  6  o 36.63457 6.272229  307.4331       93.80579 470.2205       
158.8333 220.2399       116.2445 43.49057 9.003181 29.77858 8.735339 13.71199 
12.54446 
1 1 1 21  29  7  o 41.55669 5.918963  447.3021       92.57256 334.3599       
166.0629 498.2237       111.5054 35.76241 10.42474 47.35097 5.609032 -11.58856 
11.83793 
1 1 1 21  29  8  o 17.18746 5.634541  -71.56561      94.24901 -158.8216      
165.3345 -29.56159      114.7126 17.32442 8.261753 17.05049 7.663918 0.2739258 
11.26908 
1 1 1 21  29  9  o 27.93952 7.322810  165.0500       104.6246 230.6397       
199.8752 140.2959       122.7906 30.76770 11.50193 25.11134 9.066408 5.656361 
14.64562 
1 1 1 21  29  10 o 48.86452 6.340174  535.3044       115.0443 682.8930       
222.2038 481.2536       134.4704 51.71721 10.59879 46.01185 6.961103 5.705357 
12.68035 
1 1 1 21  29  11 o 23.49577 6.742629  83.26047       108.3966 -104.5812      
211.9062 149.8309       126.1504 21.20727 9.858268 25.78427 9.201453 -4.577005 
13.48526 
1 1 1 21  29  12 o 36.93930 7.217731  370.0696       113.5843 257.5277       
222.0111 409.9720       132.1956 32.27584 12.11095 41.60277 7.855416 -9.326931 
14.43546 
1 1 1 21  29  13 o 35.00022 6.609211  338.3164       119.7211 29.06310       
218.0765 471.7301       143.2359 24.67485 10.86595 45.32559 7.527131 -20.65074 
13.21842 
1 1 1 21  29  14 o 57.26812 5.961290  837.1127       119.4051 625.4258       
215.9611 930.3181       143.3009 49.43237 10.70799 65.10387 5.242799 -15.67150 
11.92258 
1 1 1 21  29  15 o 27.57670 7.173978  177.1019       112.4904 1.916320       
232.7497 230.4955       128.4945 24.56077 10.98135 30.59263 9.234380 -6.031857 
14.34796 
1 1 1 21  29  16 o 39.91904 7.947334  418.3029       129.0904 414.2892       
258.3056 419.6390       149.0367 38.39010 13.21809 41.44797 8.827372 -3.057865 
15.89467 
1 1 1 21  29  17 o 25.47665 7.338022  108.7472       117.4605 137.2012       
205.4488 94.93005       143.1669 27.36415 11.20986 23.58915 9.472344 3.774994 
14.67604 
1 1 1 21  29  18 f 62.69302 5.479388  901.9102       129.7178 937.3723       
243.1156 887.7964       153.3744 62.20373 9.309307 63.18231 5.782003 
-0.9785805     10.95878 
1 1 1 21  29  19 o 33.08857 7.799074  288.6851       120.3419 230.6227       
254.0967 305.4746       136.6378 31.29584 12.59760 34.88131 9.197970 -3.585474 
15.59815 
1 1 1 21  29  20 o 44.39666 7.402653  501.3027       126.0190 546.3805       
235.9508 483.3124       149.0595 44.10025 12.29079 44.69308 8.254307 
-0.5928268     14.80531 
1 1 1 21  29  21 o 41.58186 7.262349  473.6420       126.2846 366.7865       
208.1898 535.8469       158.8447 36.25764 11.87262 46.90608 8.367064 -10.64845 
14.52470 
1 1 1 21  29  22 o 38.24039 7.545193  414.1912       123.1153 320.1275       
240.5036 447.5933       143.3170 33.73086 12.61545 42.74993 8.280710 -9.019070 
15.09039 
1 1 1 21  29  23 o 34.99139 7.907859  341.0242       127.9699 320.7106       
230.9191 350.0278       153.7362 33.52196 12.39634 36.46083 9.821799 -2.938866 
15.81572 
1 1 1 21  29  24 o 39.83991 8.385183  433.9174       140.2730 546.4016       
262.8781 389.1396       165.8595 41.68798 13.32173 37.99184 10.18709 3.696136 
16.77037 
1 1 1 21  29  25 o 30.36548 8.168972  259.1854       149.0504 125.6954       
275.8187 314.2470       177.1429 27.39975 12.12395 33.33121 10.95163 -5.931458 
16.33794 
1 1 1 21  29  26 o 16.67886 5.892772  -307.4946      134.4238 -382.3103      
278.4306 -284.7560      153.4982 19.25930 9.498454 14.09843 6.976992 5.160864 
11.78554 
1 1 1 21  29  27 o 19.57659 6.492576  -63.24237      128.9685 -386.2165      
288.8134 17.20036       144.1375 19.41368 9.598401 19.73949 8.745563 
-0.3258076     12.98515 
1 1 1 21  29  28 o 24.38947 7.586795  108.0482       133.1788 89.66529       
293.7241 112.8054       149.4209 25.68904 11.81049 23.08989 9.526286 2.599150 
15.17359 
1 1 1 21  29  29 o 24.70439 7.733074  117.1575       133.4649 240.8092       
294.5896 85.22205       149.7110 27.79947 12.39385 21.60931 9.251718 6.190155 
15.46615 
1 1 1 21  29  30 f 22.99232 7.305692  105.4114       133.6479 89.70615       
284.2277 109.8696       151.4335 23.91090 11.20900 22.07374 9.372882 1.837158 
14.61138 
1 1 1 21  29  31 o 16.58748 5.842129  -231.9782      134.7161 -239.7565      
267.7951 -229.3429      155.8756 18.82392 9.291292 14.35104 7.084756 4.472883 
11.68426 
1 1 1 21  30  0  o 20.64773 5.647537  94.34931       70.39010 24.05329       
133.1675 121.6054       82.92100 19.13823 8.451944 22.15723 7.492886 -3.019001 
11.29507 
1 1 1 21  30  1  o 19.10523 5.900831  24.75544       85.22243 57.31847       
145.5291 7.760365       105.1354 21.05653 9.071186 17.15393 7.549358 3.902597 
11.80166 
1 1 1 21  30  2  o 33.34168 6.824111  296.5612       108.4306 445.2950       
158.9057 166.9691       148.3282 40.82284 9.450704 25.86053 9.846732 14.96231 
13.64822 
1 1 1 21  30  3  o 22.97316 6.310424  114.9239       88.39965 32.18182       
162.3784 149.7761       105.3854 21.29646 9.377231 24.64987 8.447091 -3.353405 
12.62085 
1 1 1 21  30  4  f 38.56232 6.358918  413.9436       100.9254 280.3933       
178.5774 476.6205       122.3370 31.68600 10.98263 45.43865 6.412885 -13.75264 
12.71784 
1 1 1 21  30  5  o 52.61419 5.123435  650.5668       107.8692 652.5504       
180.6980 649.4685       134.4546 51.77673 8.312657 53.45165 5.991500 -1.674927 
10.24687 
1 1 1 21  30  6  o 26.19303 6.859673  131.1050       96.27059 269.7503       
172.4800 68.36645       116.0255 31.61639 10.80653 20.76967 8.452182 10.84672 
13.71935 
1 1 1 21  30  7  o 56.42455 4.820588  716.8776       98.49453 769.2504       
198.3264 699.7314       113.4778 56.47647 8.364383 56.37262 4.794724 0.1038551 
9.641176 
1 1 1 21  30  8  o 44.30552 6.179882  523.7010       107.4329 338.8926       
173.3377 638.9742       136.8977 35.45932 10.72978 53.15172 6.134792 -17.69240 
12.35976 
1 1 1 21  30  9  o 25.52108 6.993847  125.0474       107.2181 209.8439       
167.7156 66.44047       139.4309 29.06672 10.58590 21.97545 9.142991 7.091261 
13.98769 
1 1 1 21  30  10 f 24.13113 6.982952  102.0967       106.2646 57.38362       
204.9216 118.5429       124.2803 24.48062 10.65773 23.78164 9.025482 0.6989727 
13.96590 
1 1 1 21  30  11 o 38.15568 6.005598  451.1445       116.8406 -38.42815      
218.0737 648.2725       138.3785 22.65001 10.32189 53.66134 6.142261 -31.01133 
12.01120 
1 1 1 21  30  12 o 34.27283 7.640800  249.6172       117.0914 504.2219       
221.3593 150.7005       137.9748 42.68610 11.90730 25.85957 9.578281 16.82653 
15.28160 
1 1 1 21  30  13 o 30.59084 7.771840  190.9723       121.2313 385.2683       
221.3623 107.7297       144.8920 37.13265 12.24246 24.04902 9.577481 13.08363 
15.54368 
1 1 1 21  30  14 o 24.77690 6.587042  110.7929       109.8624 -128.0468      
191.3813 228.1820       134.1714 19.42095 9.120993 30.13286 9.505998 -10.71191 
13.17408 
1 1 1 21  30  15 o 36.72498 7.555246  352.4455       119.4144 369.0975       
205.9768 344.0150       146.5573 36.63076 11.80087 36.81920 9.437505 
-0.1884422     15.11049 
1 1 1 21  30  16 o 22.25872 6.822889  21.26639       109.1611 114.1679       
198.1757 -19.19889      130.7918 26.06331 10.87553 18.45413 8.241971 7.609182 
13.64578 
1 1 1 21  30  17 o 29.79650 7.624298  211.2492       111.9463 247.3927       
223.8891 199.2009       129.2651 31.23496 12.04152 28.35804 9.355295 2.876915 
15.24860 
1 1 1 21  30  18 o 27.55227 7.197224  184.6941       111.3392 71.30537       
215.4248 226.0219       130.0564 25.20254 10.94900 29.90199 9.344494 -4.699453 
14.39445 
1 1 1 21  30  19 o 26.50257 7.438461  153.4868       119.8859 10.81014       
258.7472 192.4891       135.2832 25.13157 11.39119 27.87358 9.568884 -2.742006 
14.87692 
1 1 1 21  30  20 o 33.63620 7.793705  327.0993       134.1865 157.6134       
261.4959 387.6814       156.3400 28.61847 12.23907 38.65393 9.652585 -10.03546 
15.58741 
1 1 1 21  30  21 o 45.98503 7.277900  610.1310       131.9203 422.5391       
243.4517 688.1102       156.9622 37.45871 12.83870 54.51135 6.858500 -17.05264 
14.55580 
1 1 1 21  30  22 o 60.02752 6.471449  832.1243       150.8499 1103.446       
283.6032 725.0744       178.1403 64.90073 10.40837 55.15431 7.693143 9.746422 
12.94290 
1 1 1 21  30  23 o 36.92998 8.403492  401.3551       142.2518 395.0950       
275.4225 403.6326       166.1247 35.23363 13.41715 38.62634 10.12200 -3.392708 
16.80698 
1 1 1 21  30  24 o 23.37292 7.485281  39.76154       138.2501 -48.06248      
312.7599 61.08896       154.1251 24.84058 11.66516 21.90527 9.383058 2.935307 
14.97056 
1 1 1 21  30  25 o 28.88865 7.999472  229.8850       140.2318 137.1106       
276.2510 262.0901       162.7615 27.21144 12.07518 30.56587 10.49553 -3.354431 
15.99894 
1 1 1 21  30  26 f 23.50135 7.370855  76.38850       127.2952 45.22776       
280.0110 84.50607       142.9172 24.99588 11.50848 22.00682 9.212650 2.989056 
14.74171 
1 1 1 21  30  27 o 23.20033 7.417132  58.68592       131.1933 108.4501       
286.8816 45.52669       147.5229 25.85535 11.79771 20.54531 8.992749 5.310043 
14.83426 
1 1 1 21  30  28 o 17.89022 6.066370  -119.0242      129.5125 -457.9330      
274.8729 -22.31569      146.8327 17.58990 8.794952 18.19053 8.357763 
-0.6006222     12.13274 
1 1 1 21  30  29 o 25.07587 7.694382  152.9430       133.5943 295.8235       
263.6524 103.5858       154.9604 28.19613 12.17903 21.95562 9.406662 6.240511 
15.38876 
1 1 1 21  30  30 o 18.26237 6.200727  -91.11656      136.4729 -274.2107      
253.2074 -16.15133      162.0202 18.00277 8.921708 18.52196 8.613896 
-0.5191956     12.40145 
1 1 1 21  31  0  o 13.79066 4.586535  -76.64678      64.48500 5.371526       
108.1621 -121.8756      80.32065 16.68990 7.473471 10.89141 5.319063 5.798481 
9.173070 
1 1 1 21  31  1  o 23.05755 6.103064  120.3268       75.05493 202.8160       
135.6867 83.96006       90.09303 26.53318 9.535484 19.58192 7.619981 6.951260 
12.20613 
1 1 1 21  31  2  o 21.71179 7.966987  113.1279       95.15099 0.000000       
0.000000 113.1279       95.15099 ?        ?        21.71179 7.966987 ? ? 
1 1 1 21  31  3  o 37.68311 7.066365  381.0566       90.77528 423.6616       
249.8572 374.5779       97.43299 35.06858 12.90612 40.29765 5.759004 -5.229073 
14.13273 
1 1 1 21  31  4  f 23.74525 7.038023  99.83414       92.08069 150.8126       
238.8553 90.93539       99.79436 26.66585 11.55603 20.82465 8.036989 5.841200 
14.07605 
1 1 1 21  31  5  o 41.02215 7.484675  408.2417       103.0909 582.3341       
266.6681 377.6518       111.7816 41.89285 13.42047 40.15146 6.631171 1.741386 
14.96935 
1 1 1 21  31  6  o 43.89336 7.176886  485.9251       97.47918 571.5966       
261.4443 472.0924       105.0544 42.06219 13.26961 45.72452 5.472507 -3.662327 
14.35377 
1 1 1 21  31  7  o 36.31618 6.877655  381.3952       88.62447 248.2514       
268.1702 397.7195       93.90040 30.52367 12.68844 42.10868 5.311496 -11.58501 
13.75531 
1 1 1 21  31  8  o 26.48562 7.617139  136.1534       101.5120 201.9383       
277.3692 125.9793       109.0798 29.53706 12.61763 23.43418 8.536902 6.102882 
15.23428 
1 1 1 21  31  9  o 26.00412 7.404106  7.669636       101.5510 415.9397       
250.9572 -72.27294      111.0491 36.76627 12.99238 15.24196 7.105020 21.52432 
14.80821 
1 1 1 21  31  10 o 37.56424 7.129722  435.8436       114.0302 164.5618       
294.2662 483.7775       123.6948 29.17780 12.73658 45.95068 6.411809 -16.77288 
14.25944 
1 1 1 21  31  11 o 31.80142 8.162824  229.7011       111.0910 377.8189       
286.3565 203.4596       120.5307 35.22746 13.61038 28.37538 9.015784 6.852083 
16.32565 
1 1 1 21  31  12 o 17.80943 5.932474  -123.7868      116.8893 -341.1819      
210.5185 -26.89236      140.5448 16.94589 8.346272 18.67296 8.433075 -1.727076 
11.86495 
1 1 1 21  31  13 o 23.21838 7.123579  57.41215       119.2097 57.06459       
223.0135 57.55119       141.0528 24.86353 10.96452 21.57323 9.097295 3.290304 
14.24716 
1 1 1 21  31  14 o 32.14061 7.378549  291.2698       121.1489 134.3448       
229.3916 351.9706       142.6687 27.19484 11.54109 37.08639 9.196471 -9.891546 
14.75710 
1 1 1 21  31  15 o 32.68681 7.723404  291.5136       119.7799 244.1299       
240.4140 307.1591       138.1466 30.85445 12.32152 34.51917 9.315788 -3.664722 
15.44681 
1 1 1 21  31  16 o 38.47754 7.198640  443.3013       128.3035 200.1752       
251.8125 528.5513       149.1106 29.56450 12.29290 47.39058 7.494414 -17.82607 
14.39728 
1 1 1 21  31  17 o 24.17016 7.353422  75.53378       121.8451 103.8295       
237.5618 65.43301       141.9363 26.46401 11.49743 21.87631 9.170623 4.587704 
14.70684 
1 1 1 21  31  18 o 49.05660 7.371984  722.6537       128.3408 476.0514       
271.4075 793.6771       145.6545 38.84366 13.53224 59.26954 5.853470 -20.42587 
14.74397 
1 1 1 21  31  19 o 29.14935 7.767125  212.8509       117.7965 201.9409       
255.1728 215.8056       132.7927 29.37648 12.30459 28.92222 9.482089 0.4542618 
15.53425 
1 1 1 21  31  20 o 34.67407 8.165555  256.0081       117.6848 575.5903       
265.5139 177.8742       131.2851 42.67666 13.35461 26.67149 9.399982 16.00518 
16.33111 
1 1 1 21  31  21 o 30.41095 7.746279  263.6679       126.4704 72.53825       
307.4318 302.6018       138.7550 27.01182 12.29510 33.81009 9.426026 -6.798267 
15.49256 
1 1 1 21  31  22 o 24.44137 7.638785  74.29807       150.6738 -99.35951      
304.1131 130.7950       173.4606 23.81976 11.29316 25.06298 10.28926 -1.243216 
15.27757 
1 1 1 21  31  23 o 31.48535 8.620930  244.0558       149.5445 475.1694       
282.2495 153.8566       176.3281 37.13873 13.71080 25.83197 10.45446 11.30676 
17.24186 
1 1 1 21  31  24 o 23.46565 7.360656  70.27286       137.3756 -27.39307      
271.0444 104.0346       159.3608 23.56356 11.02818 23.36774 9.751733 0.1958218 
14.72131 
1 1 1 21  31  25 o 31.71748 7.229845  313.3572       145.4058 -125.5544      
277.2200 479.9369       170.7840 21.93803 10.51798 41.49693 9.922437 -19.55890 
14.45969 
1 1 1 21  31  26 o 24.20677 7.512300  111.3813       133.6587 109.1058       
273.2675 112.0969       153.2396 25.42259 11.57710 22.99095 9.576502 2.431643 
15.02460 
1 1 1 21  31  27 o 26.85198 7.823091  107.7297       130.7834 495.6854       
261.5551 -21.60423      151.0178 35.36308 13.16984 18.34089 8.447389 17.02218 
15.64618 
1 1 1 21  31  28 o 25.87981 7.940794  126.5984       134.3138 460.2795       
286.1049 32.26956       152.1184 32.19402 13.21517 19.56559 8.808180 12.62843 
15.88159 
1 1 1 21  31  29 o 20.36942 6.692780  21.38181       129.4997 15.28716       
241.1293 23.85221       153.5180 21.53454 10.14940 19.20431 8.727136 2.330225 
13.38556 
1 1 1 21  32  1  o 28.65489 5.635788  209.8288       71.06622 332.0068       
116.8202 138.0502       89.54041 34.67485 8.152706 22.63493 7.783433 12.03992 
11.27158 
1 1 1 21  32  2  o 21.15658 6.084655  66.48328       73.75223 216.8394       
154.2205 21.90086       83.97760 26.44814 10.04918 15.86503 6.863386 10.58311 
12.16931 
1 1 1 21  32  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 21  32  4  o 20.08967 6.122612  55.98436       76.93985 83.84835       
178.8999 49.66100       85.22410 22.57837 9.892667 17.60097 7.216695 4.977396 
12.24522 
1 1 1 21  32  5  o 42.83910 5.884717  447.9399       89.18710 526.7931       
183.5391 423.5648       102.0450 42.86414 10.30971 42.81405 5.677098 
0.5009460E-01  11.76943 
1 1 1 21  32  6  o 37.12754 7.096150  288.5507       90.53363 607.0601       
225.3027 227.2184       98.86673 44.47042 11.84994 29.78465 7.810275 14.68577 
14.19230 
1 1 1 21  32  7  o 36.15836 6.593826  354.4974       84.37822 329.3794       
215.4584 359.0476       91.70288 32.60126 11.98610 39.71545 5.499771 -7.114185 
13.18765 
1 1 1 21  32  8  o 24.04025 6.884266  -7.176740      86.40406 371.1823       
221.2748 -75.24692      93.85521 34.48663 12.19854 13.59388 6.384991 20.89275 
13.76853 
1 1 1 21  32  9  o 23.91434 6.820149  122.8754       101.6700 -15.48360      
230.9732 156.1264       113.2297 22.77958 10.47301 25.04909 8.739213 -2.269506 
13.64030 
1 1 1 21  32  10 o 39.67835 6.757273  426.8915       104.5610 383.5167       
204.1891 442.3081       121.7329 35.83821 11.75799 43.51850 6.662775 -7.680286 
13.51455 
1 1 1 21  32  11 o 24.32531 6.719916  134.1372       97.97453 17.66307       
206.8193 167.8382       111.2493 22.77926 10.26185 25.87135 8.678918 -3.092091 
13.43983 
1 1 1 21  32  12 o 20.94016 6.626446  11.85954       99.96280 67.48417       
214.3074 -3.608142      113.0098 24.38667 10.75206 17.49365 7.748051 6.893021 
13.25289 
1 1 1 21  32  13 o 32.12886 6.971737  276.8169       98.22631 264.7139       
189.3942 281.2702       114.8851 30.88623 11.24920 33.37148 8.238684 -2.485249 
13.94347 
1 1 1 21  32  14 o 30.71089 7.828205  212.7758       114.1474 399.5002       
234.1559 154.5703       130.7334 36.07010 12.56899 25.35168 9.335076 10.71841 
15.65641 
1 1 1 21  32  15 o 23.17127 6.894492  89.41400       110.0496 -38.77203      
230.7054 127.1736       125.2134 22.52971 10.40104 23.81284 9.052866 -1.283133 
13.78898 
1 1 1 21  32  16 o 28.65821 7.662263  192.0324       108.0529 271.0165       
241.8029 172.3250       120.7831 31.09338 12.37581 26.22304 9.037728 4.870342 
15.32453 
1 1 1 21  32  17 o 45.46392 6.595131  448.9388       116.8303 823.4969       
222.6588 306.6400       137.2401 56.84929 9.329019 34.07856 9.324830 22.77073 
13.19026 
1 1 1 21  32  18 o 17.54051 6.012247  -156.0477      119.7614 -304.2678      
250.8723 -112.2998      136.2943 19.09232 9.341866 15.98870 7.570866 3.103627 
12.02449 
1 1 1 21  32  19 o 38.57398 8.286412  380.0038       127.8225 605.4090       
269.3499 314.4861       145.2160 43.03339 13.44763 34.11457 9.686053 8.918812 
16.57282 
1 1 1 21  32  20 o 20.75850 6.567225  11.68279       116.8579 -266.2414      
257.6402 83.66825       131.1212 19.73653 9.618254 21.78047 8.944438 -2.043941 
13.13445 
1 1 1 21  32  21 o 41.38828 7.745639  505.7289       129.9406 456.8307       
274.0419 519.9114       147.5864 36.48775 13.50205 46.28882 7.594363 -9.801075 
15.49128 
1 1 1 21  32  22 o 26.27351 7.928186  100.2261       141.9339 330.2699       
265.3347 8.014875       167.9890 31.97623 12.87247 20.57079 9.258731 11.40544 
15.85637 
1 1 1 21  32  23 o 47.06381 8.187811  660.0638       152.3929 698.3177       
277.3518 643.5203       182.3925 44.89324 13.57010 49.23439 9.165874 -4.341152 
16.37562 
1 1 1 21  32  24 o 21.11433 6.963934  -43.19424      138.2702 90.21494       
246.4368 -104.4885      167.0409 24.63094 11.14303 17.59772 8.355736 7.033213 
13.92787 
1 1 1 21  32  25 o 29.25417 7.857794  277.0459       137.8149 194.1641       
235.3077 320.3200       170.0280 26.52923 11.48298 31.97912 10.72944 -5.449888 
15.71559 
1 1 1 21  32  26 o 25.04117 7.267217  30.95462       126.5363 452.2318       
231.1580 -149.2910      151.2019 34.56736 12.44366 15.51498 7.510330 19.05239 
14.53443 
1 1 1 21  32  27 o 19.93787 6.546024  3.547637       131.2002 -117.5414      
238.6782 55.97950       157.0573 19.52630 9.449291 20.34943 9.061602 
-0.8231297     13.09205 
1 1 1 21  32  28 o 20.23326 6.780291  -6.591710      135.1697 14.83966       
272.6216 -13.57758      155.6486 22.15532 10.57583 18.31119 8.487703 3.844130 
13.56058 
1 1 1 21  33  3  o 19.51303 5.984715  68.06034       83.62064 -67.21064      
208.0969 94.10883       91.31761 19.19096 9.179642 19.83510 7.681237 
-0.6441422     11.96943 
1 1 1 21  33  4  o 24.85146 7.284997  173.0748       119.2433 244.3362       
202.9540 135.5067       147.3602 26.86094 11.09410 22.84198 9.444882 4.018957 
14.56999 
1 1 1 21  33  5  o 22.27216 6.318627  120.9428       79.97977 87.30061       
194.2770 127.8079       87.76170 22.39665 10.02277 22.14766 7.697026 0.2489872 
12.63725 
1 1 1 21  33  6  o 19.09795 6.023574  35.01981       78.17606 48.81123       
189.3325 32.18526       85.83468 21.57864 9.764354 16.61726 7.056285 4.961376 
12.04715 
1 1 1 21  33  7  o 39.80625 6.013628  368.8232       83.80979 529.3682       
184.1568 326.8859       94.12174 42.37707 10.41176 37.23544 6.020805 5.141632 
12.02726 
1 1 1 21  33  8  o 19.44689 5.905678  53.49486       74.55288 17.83906       
171.8987 61.75542       82.73943 20.65790 9.328131 18.23588 7.245281 2.422016 
11.81136 
1 1 1 21  33  9  o 35.92851 6.234674  386.9348       91.12717 239.0478       
189.7748 431.2532       103.8881 28.64103 11.07696 43.21600 5.725879 -14.57497 
12.46935 
1 1 1 21  33  10 o 23.05735 6.528615  94.20155       85.70666 197.6387       
169.7518 58.81215       99.29160 27.08764 10.47628 19.02706 7.793509 8.060587 
13.05723 
1 1 1 21  33  11 o 34.90282 6.688462  288.2779       91.67922 463.4908       
179.6730 226.6010       106.6010 40.29342 10.51177 29.51223 8.273140 10.78119 
13.37692 
1 1 1 21  33  12 o 24.20597 6.800818  104.5746       94.60721 233.3798       
179.9921 55.40448       111.2084 28.87102 10.88956 19.54091 8.149969 9.330103 
13.60164 
1 1 1 21  33  13 o 14.12953 4.937052  -201.7771      92.87119 -288.7680      
181.9756 -171.1401      107.9939 15.69790 7.731179 12.56116 6.142216 3.136740 
9.874104 
1 1 1 21  33  14 o 38.78996 6.619407  396.9405       96.95454 402.4024       
198.5198 395.2295       111.1065 36.45926 11.56923 41.12066 6.435770 -4.661400 
13.23881 
1 1 1 21  33  15 o 20.23515 6.249005  39.99221       95.54355 -59.21613      
193.7690 71.86057       109.8222 20.19932 9.404064 20.27098 8.231879 
-0.7166100E-01 12.49801 
1 1 1 21  33  16 o 32.81144 6.528732  328.5080       114.4200 42.43579       
207.0630 454.2583       137.2838 23.07242 10.33569 42.55045 7.979402 -19.47803 
13.05746 
1 1 1 21  33  17 o 21.46394 6.586709  45.77937       115.0240 -216.3499      
240.9637 123.1356       130.9006 19.53196 9.459381 23.39592 9.168373 -3.863960 
13.17342 
1 1 1 21  33  18 o 32.04440 7.637387  275.6115       111.0260 371.1806       
218.6532 242.4104       128.8764 34.18196 12.12250 29.90683 9.293211 4.275135 
15.27477 
1 1 1 21  33  19 o 19.13844 6.271094  -50.29302      120.1629 -401.9793      
264.0794 41.53603       134.9419 18.22009 9.044942 20.05679 8.688815 -1.836699 
12.54219 
1 1 1 21  33  20 o 22.85617 7.242348  46.76230       119.0668 144.6719       
260.0145 20.78364       133.9348 26.48668 11.73912 19.22566 8.485250 7.261023 
14.48470 
1 1 1 21  33  21 o 22.65852 6.914777  69.46068       128.3735 -94.67016      
212.0925 164.3556       161.2694 19.92933 9.440343 25.38770 10.10626 -5.458372 
13.82955 
1 1 1 21  33  22 o 22.27028 6.874965  41.93641       134.8076 -180.4603      
216.8857 181.9487       172.0876 18.57312 8.991414 25.96745 10.40265 -7.394325 
13.74993 
1 1 1 21  33  23 o 26.98670 7.757114  214.7534       135.2318 226.5886       
221.1668 207.6866       170.9014 27.32143 11.45013 26.65196 10.46833 0.6694679 
15.51423 
1 1 1 21  33  24 o 25.64311 7.688120  174.5332       140.4933 279.7926       
225.5992 107.8491       179.5636 28.46615 11.71830 22.82008 9.955416 5.646067 
15.37624 
1 1 1 21  33  25 o 25.46686 7.903525  150.1231       150.9464 369.7907       
270.5251 50.81395       181.8943 29.92690 12.60830 21.00682 9.533809 8.920071 
15.80705 
1 1 1 21  33  26 o 20.50934 6.830200  7.579661       133.9309 25.34877       
272.3354 1.911181       153.8171 22.36333 10.64245 18.65536 8.564158 3.707972 
13.66040 
1 1 1 21  34  6  o 21.32710 6.447405  98.61094       90.40437 82.59566       
207.0051 102.3854       100.4945 22.15922 10.08703 20.49498 8.032926 1.664240 
12.89481 
1 1 1 21  34  7  f 40.42866 7.040055  447.4063       92.00022 595.9578       
246.6196 423.3915       99.15813 38.62155 12.92203 42.23577 5.592023 -3.614220 
14.08011 
1 1 1 21  34  8  o 38.24366 7.273277  275.0903       87.20928 840.5984       
254.3188 199.7310       92.83834 49.32947 12.30668 27.15785 7.755507 22.17162 
14.54655 
1 1 1 21  34  9  o 27.92146 6.442993  256.3134       103.6991 -30.26828      
240.3101 321.8889       114.9526 21.24537 10.05665 34.59756 8.056824 -13.35219 
12.88599 
1 1 1 21  34  10 o 28.35558 7.727120  203.1134       105.1894 401.8582       
251.5369 160.9904       115.8013 32.34446 12.70138 24.36670 8.803898 7.977758 
15.45424 
1 1 1 21  34  11 o 38.45706 7.838605  378.2271       106.4046 655.7615       
268.2050 326.3854       115.9172 41.74311 13.46780 35.17102 8.024534 6.572094 
15.67721 
1 1 1 21  34  12 o 37.57163 7.633184  362.0271       108.5307 603.8865       
238.8362 299.0885       121.8364 41.99941 12.57208 33.14386 8.660538 8.855553 
15.26637 
1 1 1 21  34  13 o 19.54684 6.442093  -13.18450      105.9281 -22.77019      
240.2653 -10.87174      118.0170 22.00433 10.31353 17.08934 7.722270 4.914988 
12.88419 
1 1 1 21  34  14 o 30.03129 6.958445  288.7087       111.0777 64.99541       
261.1368 338.1272       122.7346 24.29185 11.15467 35.77073 8.321846 -11.47888 
13.91689 
1 1 1 21  34  15 o 16.80979 5.858180  -151.9346      106.3160 -176.3612      
251.1625 -146.6024      117.3477 20.00933 9.684816 13.61025 6.593740 6.399083 
11.71636 
1 1 1 21  34  16 o 52.17495 7.044782  658.1006       117.9711 949.0678       
283.0016 596.9056       129.7851 54.03486 12.67942 50.31503 6.143958 3.719830 
14.08956 
1 1 1 21  34  17 o 45.44878 7.535718  543.2369       110.9009 726.5259       
282.3629 509.8055       120.5915 44.46107 13.74362 46.43648 6.185553 -1.975407 
15.07144 
1 1 1 21  34  18 o 22.79716 7.187282  31.60305       117.7767 245.2365       
245.1665 -32.49052      134.2870 28.21887 11.95123 17.37546 7.987246 10.84341 
14.37456 
1 1 1 21  34  19 o 24.21477 7.264257  74.42577       112.8672 323.3486       
228.5179 -5.891278      129.8051 30.60545 12.07832 17.82409 8.074153 12.78137 
14.52851 
1 1 1 21  34  20 o 20.54727 6.679821  13.34513       128.4243 -171.6408      
265.0296 70.10900       146.8118 20.17020 9.814705 20.92434 9.063753 
-0.7541409     13.35964 
1 1 1 21  34  21 o 27.16935 7.826317  225.9765       136.8142 287.7130       
225.1263 189.8232       172.2776 28.76635 11.75101 25.57236 10.34015 3.193991 
15.65263 
1 1 1 21  34  22 o 16.51924 5.728806  -236.3548      139.3759 -412.0272      
219.4691 -117.6205      180.4304 15.55140 7.782919 17.48707 8.408511 -1.935670 
11.45761 
1 1 1 21  34  23 o 28.02370 8.150300  267.4911       146.7838 355.8741       
258.4940 225.4300       178.3224 29.60010 12.39055 26.44731 10.59169 3.152798 
16.30060 
1 1 1 21  34  24 o 22.16964 7.050437  84.84298       130.8054 157.0050       
224.2788 47.64324       161.0290 24.21149 10.80362 20.12778 9.061810 4.083712 
14.10087 
1 1 1 21  35  10 o 30.73355 7.333648  315.2992       109.1481 303.1094       
233.8826 318.6932       123.4111 28.17910 11.79019 33.28799 8.724735 -5.108883 
14.66730 
1 1 1 21  35  11 o 23.46323 7.207235  125.9587       113.9452 217.3181       
244.7525 100.6783       128.7487 25.86007 11.43452 21.06639 8.776597 4.793680 
14.41447 
1 1 1 21  35  12 o 25.67064 6.955923  205.0171       105.3162 108.9760       
235.6759 228.9812       117.7245 23.39402 10.68141 27.94726 8.913303 -4.553240 
13.91185 
1 1 1 21  35  13 o 27.09483 7.758109  203.0480       121.8783 391.2715       
242.2458 139.2557       141.0273 31.20723 12.39781 22.98243 9.329914 8.224802 
15.51622 
1 1 1 21  35  14 o 20.45706 6.892703  -82.01887      107.9710 277.6456       
273.9613 -148.1556      117.4794 27.56884 12.15570 13.34528 6.502027 14.22357 
13.78541 
1 1 1 21  35  15 o 27.20330 7.527709  222.4803       110.4218 270.4106       
261.8100 212.1095       121.7834 27.49950 12.00873 26.90710 9.080526 0.5924034 
15.05542 
1 1 1 21  35  16 o 20.99475 6.698329  65.12659       110.5986 -62.42937      
276.1704 89.49133       120.7001 21.44783 10.33491 20.54167 8.524090 0.9061584 
13.39666 
1 1 1 21  35  17 o 25.13962 7.257186  -0.2744049     104.8626 535.5720       
247.1355 -117.9316      115.8042 36.45800 12.89210 13.82124 6.667897 22.63676 
14.51437 
1 1 1 21  35  18 o 19.73837 6.713161  -67.19360      104.5448 200.0437       
272.9211 -113.1497      113.1776 25.74818 11.68339 13.72857 6.615471 12.01961 
13.42632 
1 1 1 21  35  19 o 18.83581 6.459285  -75.95836      127.3576 -80.32956      
290.2330 -74.91593      141.7322 21.37054 10.35847 16.30107 7.719556 5.069475 
12.91857 
1 1 1 21  35  20 o 36.42488 7.918858  459.9169       130.7342 469.2014       
243.0833 456.1385       155.0707 33.66847 12.66494 39.18129 9.509599 -5.512817 
15.83772 
1 1 1 21  35  21 o 27.51423 7.532791  262.0537       139.7070 77.79214       
238.9343 357.7756       172.2134 22.65099 10.50577 32.37748 10.79817 -9.726486 
15.06558 
1 1 1 22  -19 0  o 33.25317 7.853297  364.7527       130.3578 249.8654       
167.7304 539.9987       207.1572 27.44907 10.46530 39.05726 11.71215 -11.60819 
15.70659 
1 1 1 22  -19 1  o 19.91595 6.557558  -2.614230      134.7819 -54.45164      
188.1944 51.97323       193.1219 18.71044 8.876958 21.12145 9.654319 -2.411003 
13.11512 
1 1 1 22  -18 0  o 17.56862 5.843486  -89.12978      113.7897 -202.9293      
164.2912 15.79340       157.7538 15.48210 7.571760 19.65514 8.902457 -4.173039 
11.68697 
1 1 1 22  -18 1  o 23.42854 7.195728  121.4011       130.6779 101.1263       
174.7125 147.1473       196.8800 22.53724 9.826135 24.31983 10.51480 -1.782585 
14.39146 
1 1 1 22  -18 2  o 25.56696 7.524264  168.4704       130.2747 82.70631       
163.5163 317.5116       215.5566 21.51917 9.442966 29.61474 11.71702 -8.095568 
15.04853 
1 1 1 22  -18 3  o 24.82870 7.332808  126.3768       129.2030 -6.190552      
162.0808 357.4579       213.9909 18.86437 8.712349 30.79303 11.79726 -11.92866 
14.66562 
1 1 1 22  -18 4  o 19.51894 6.482777  -19.68152      132.3332 -40.18088      
170.2917 11.56949       210.2593 18.31866 8.603393 20.71921 9.699856 -2.400547 
12.96555 
1 1 1 22  -17 0  o 18.51423 6.167053  -88.14760      123.5262 -51.10604      
160.9606 -141.2206      192.6691 18.62996 8.633876 18.39850 8.808311 0.2314682 
12.33411 
1 1 1 22  -17 1  o 28.61130 7.746125  211.9389       126.6064 137.4404       
157.1723 349.6096       213.6599 24.30850 9.856931 32.91410 11.95202 -8.605600 
15.49225 
1 1 1 22  -17 2  o 22.59817 6.949695  72.86661       128.6761 145.9456       
160.9092 -56.76508      214.3089 24.54874 9.965855 20.64759 9.688901 3.901146 
13.89939 
1 1 1 22  -17 3  o 22.13835 6.886471  -20.58447      126.8271 -179.0998      
159.3495 253.3703       209.4858 15.71696 7.635999 28.55974 11.46235 -12.84277 
13.77294 
1 1 1 22  -17 4  o 25.72826 7.613574  160.3078       135.9233 72.58960       
173.2015 300.9413       219.3063 21.82176 9.637793 29.63475 11.78894 -7.812983 
15.22715 
1 1 1 22  -17 5  o 31.78271 8.246616  343.0480       142.9339 256.3185       
183.6006 476.4829       227.7327 27.97543 10.87961 35.58999 12.39600 -7.614555 
16.49323 
1 1 1 22  -17 6  o 23.77576 7.347635  139.9966       136.8134 105.3083       
178.4277 189.4908       213.1317 22.36338 9.838454 25.18813 10.91585 -2.824751 
14.69527 
1 1 1 22  -17 7  o 20.35704 6.629694  28.08058       130.9777 60.37762       
164.9121 -27.10009      215.5583 20.58513 9.222623 20.12894 9.526523 0.4561901 
13.25939 
1 1 1 22  -16 0  o 27.96988 7.734286  196.3449       127.2943 181.0478       
157.6068 225.0470       215.8869 26.82454 10.16864 29.11523 11.65656 -2.290689 
15.46857 
1 1 1 22  -16 1  f 23.24828 10.42285  36.90265       210.9450 36.90265       
210.9450 0.000000       0.000000 23.24828 10.42285 ?        ?        ? ? 
1 1 1 22  -16 2  o 24.67131 7.234187  111.4271       131.5564 207.1458       
169.5197 -33.51077      208.5991 27.89906 10.55475 21.44355 9.896016 6.455511 
14.46837 
1 1 1 22  -16 3  o 26.02883 7.589260  146.1215       130.6806 95.62139       
165.2654 230.3806       213.4736 23.23743 9.825460 28.82023 11.56926 -5.582804 
15.17852 
1 1 1 22  -16 4  o 42.03901 7.514699  450.0299       142.7307 210.1209       
177.2903 891.9406       240.6185 27.65991 10.70456 56.41810 10.54965 -28.75819 
15.02940 
1 1 1 22  -16 5  o 23.13245 7.205528  74.28809       133.9022 41.96875       
173.5786 121.7875       210.4306 21.47613 9.545859 24.78877 10.79607 -3.312643 
14.41106 
1 1 1 22  -16 6  o 20.15475 6.621885  -82.42628      135.6251 -227.4402      
178.1510 117.4753       209.1663 16.01872 7.845975 24.29077 10.66949 -8.272051 
13.24377 
1 1 1 22  -16 7  o 22.42430 7.015072  87.15025       129.3694 104.4685       
163.9314 58.55760       210.6384 22.48305 9.655286 22.36556 10.17941 0.1174870 
14.03014 
1 1 1 22  -16 8  o 23.53632 7.262374  133.4537       136.2230 164.4489       
176.9820 88.39857       213.3799 24.35488 10.22642 22.71777 10.31448 1.637112 
14.52475 
1 1 1 22  -16 9  o 19.56993 6.511413  -32.74136      133.8510 -93.50147      
172.7793 58.45588       211.6768 17.39476 8.331014 21.74510 10.00941 -4.350344 
13.02283 
1 1 1 22  -15 0  o 48.89204 6.128585  600.2421       120.1608 654.2668       
159.9581 530.2703       182.0417 52.81937 7.213301 44.96470 9.909921 7.854671 
12.25717 
1 1 1 22  -15 1  o 23.81823 6.895096  104.8442       109.8521 123.2106       
146.4601 81.22331       166.0944 24.31535 9.646236 23.32111 9.854924 0.9942379 
13.79019 
1 1 1 22  -15 2  o 28.82952 8.498389  193.3240       175.8036 73.54450       
286.1791 265.9246       222.8007 26.66210 12.03779 30.99694 11.99925 -4.334841 
16.99678 
1 1 1 22  -15 3  o 96.15802 5.095032  2190.025       204.4488 2220.367       
276.5141 2153.434       303.6569 97.55480 6.751336 94.76123 7.632618 2.793571 
10.19006 
1 1 1 22  -15 4  o 26.34454 7.614964  140.4871       142.2205 251.8275       
191.1699 2.488143       212.8292 30.10595 11.24983 22.58313 10.26606 7.522827 
15.22993 
1 1 1 22  -15 5  o 22.10404 7.008675  -75.32940      141.4150 -269.7598      
185.1315 197.0438       219.1192 16.19633 7.952739 28.01174 11.54296 -11.81541 
14.01735 
1 1 1 22  -15 6  o 20.48704 6.686400  -34.40555      132.3320 -30.96062      
170.1402 -39.68073      210.5405 19.70000 9.028383 21.27408 9.865095 -1.574078 
13.37280 
1 1 1 22  -15 7  o 25.21887 7.463907  131.6113       128.7891 81.82713       
162.0948 216.8450       212.0942 22.45218 9.620134 27.98555 11.41458 -5.533367 
14.92781 
1 1 1 22  -15 8  o 23.88062 7.243828  116.4460       128.4406 127.4361       
162.1282 97.92416       210.4753 23.80078 9.878043 23.96046 10.59795 
-0.1596813     14.48766 
1 1 1 22  -15 9  o 36.51476 8.287415  411.0694       136.7629 319.9659       
165.4786 607.4048       242.9258 31.90216 10.58492 41.12736 12.75478 -9.225203 
16.57483 
1 1 1 22  -15 10 o 26.65401 7.680013  217.8350       130.0546 183.7036       
160.5988 282.8630       221.6747 25.05661 10.04456 28.25141 11.62055 -3.194798 
15.36003 
1 1 1 22  -15 11 o 33.12886 7.797033  394.0194       146.0714 184.9602       
215.9381 570.3830       198.3349 24.89870 10.88924 41.35902 11.16241 -16.46032 
15.59407 
1 1 1 22  -14 0  o 78.11197 4.219256  1379.584       137.0462 1446.541       
184.9475 1298.051       204.0885 80.64577 5.462455 75.57818 6.431958 5.067589 
8.438513 
1 1 1 22  -14 1  o 33.16932 7.283066  291.9698       112.7597 317.2810       
151.0953 260.1532       169.4030 34.87828 9.872916 31.46036 10.70970 3.417917 
14.56613 
1 1 1 22  -14 2  o 61.67165 6.317537  902.2363       154.2973 843.2496       
187.5237 1025.885       271.5023 59.99871 7.444498 63.34458 10.20904 -3.345871 
12.63507 
1 1 1 22  -14 3  f 27.47145 7.554366  105.7523       136.5669 -64.65373      
177.4280 353.4618       213.9198 19.80301 9.134276 35.13990 12.03490 -15.33690 
15.10873 
1 1 1 22  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  -14 5  o 40.62380 8.264557  470.0337       147.4635 422.2533       
195.0040 533.8506       225.3649 38.54583 11.31616 42.70178 12.04808 -4.155956 
16.52911 
1 1 1 22  -14 6  o 23.21564 7.059102  22.95882       137.8955 191.6432       
184.4209 -190.9368      207.6700 27.73462 10.87963 18.69665 8.997635 9.037970 
14.11820 
1 1 1 22  -14 7  o 42.84321 7.760855  531.6895       140.9559 582.0775       
184.1342 460.3670       219.0704 46.86016 9.688503 38.82626 12.12668 8.033905 
15.52171 
1 1 1 22  -14 8  o 24.54325 7.383901  90.94991       128.3631 27.54299       
159.2375 208.6099       216.9160 20.85924 9.223233 28.22726 11.53343 -7.368021 
14.76780 
1 1 1 22  -14 9  o 25.23140 7.647716  119.9628       135.1480 82.68929       
162.4435 203.7755       243.5885 22.54778 9.644767 27.91502 11.87134 -5.367249 
15.29543 
1 1 1 22  -14 10 o 24.72063 7.471563  122.7890       137.9272 212.4135       
208.6741 53.25642       183.8017 27.40621 11.27407 22.03504 9.807774 5.371174 
14.94313 
1 1 1 22  -14 11 o 23.27175 7.243269  97.81355       140.9056 11.53510       
208.0505 170.9233       191.5160 21.32509 9.857209 25.21840 10.61580 -3.893314 
14.48654 
1 1 1 22  -14 12 f 21.56867 7.071924  -31.76534      141.1999 246.8888       
249.3434 -163.3075      171.3158 26.89168 11.73153 16.24566 7.900606 10.64602 
14.14385 
1 1 1 22  -14 13 o 31.02193 7.336232  338.3764       148.4793 -21.68658      
247.0629 541.9461       185.7697 21.05325 10.05408 40.99061 10.68629 -19.93736 
14.67246 
1 1 1 22  -13 0  o 76.26757 3.839644  1282.358       122.8249 1208.940       
170.2489 1362.047       177.3713 73.95778 5.483042 78.57736 5.376590 -4.619583 
7.679289 
1 1 1 22  -13 1  o 30.05254 7.523789  219.0019       116.2969 200.7888       
147.3453 249.0952       189.3990 28.72412 9.974180 31.38097 11.26700 -2.656851 
15.04758 
1 1 1 22  -13 2  o 27.74692 7.775316  162.8616       129.0415 166.6492       
155.7088 154.5560       230.5797 27.08909 10.14693 28.40475 11.78397 -1.315660 
15.55063 
1 1 1 22  -13 3  o 27.51585 6.974188  153.0484       127.6195 314.6315       
156.7384 -164.7783      219.8227 34.80017 10.12256 20.23153 9.596406 14.56864 
13.94838 
1 1 1 22  -13 4  o 21.36661 6.831631  -18.65382      126.3581 -3.828083      
154.7333 -48.33192      218.9242 20.33472 9.028689 22.39849 10.25512 -2.063772 
13.66326 
1 1 1 22  -13 5  o 60.55314 6.598042  914.0414       160.5205 926.2722       
209.9854 896.8458       248.9853 62.43380 8.011069 58.67248 10.48615 3.761318 
13.19608 
1 1 1 22  -13 6  o 43.40008 12.42863  549.9814       238.1026 549.9814       
238.1026 0.000000       0.000000 43.40008 12.42863 ?        ?        ? ? 
1 1 1 22  -13 7  o 20.38832 6.646812  -57.62487      132.6287 -13.22881      
170.5138 -125.6240      211.0275 20.63468 9.305520 20.14195 9.493565 0.4927330 
13.29362 
1 1 1 22  -13 8  o 22.87583 7.119195  39.76844       135.0388 100.8128       
172.3838 -57.19202      217.2557 24.11829 10.10830 21.63337 10.02766 2.484919 
14.23839 
1 1 1 22  -13 9  o 50.25108 8.388229  640.3820       164.4468 1076.941       
306.6267 464.1165       194.8372 60.30460 12.52831 40.19757 11.15756 20.10703 
16.77646 
1 1 1 22  -13 10 f 25.86520 7.432682  152.4083       130.6639 62.04698       
206.4600 212.7834       168.7615 23.62052 10.46573 28.10989 10.55687 -4.489370 
14.86536 
1 1 1 22  -13 11 o 24.42344 7.267707  123.4023       128.3848 61.45473       
204.7347 163.5484       164.8166 23.22912 10.34490 25.61776 10.21085 -2.388638 
14.53541 
1 1 1 22  -13 12 o 17.52557 6.028588  -182.5269      135.8430 -244.1059      
231.4712 -150.1763      167.7730 18.33484 8.971729 16.71630 8.055035 1.618534 
12.05718 
1 1 1 22  -13 13 o 23.41571 7.361146  98.78271       151.7611 -47.92171      
245.1943 189.8832       193.2187 21.16332 10.08412 25.66810 10.72644 -4.504782 
14.72229 
1 1 1 22  -13 14 o 17.29339 6.066522  -291.9258      154.7918 -79.20213      
243.8988 -435.3968      200.3014 20.20750 9.731129 14.37927 7.246784 5.828229 
12.13304 
1 1 1 22  -12 0  o 26.64016 7.133963  141.1823       110.4043 92.21086       
147.8932 202.8264       165.9291 23.86226 9.608577 29.41807 10.54746 -5.555819 
14.26793 
1 1 1 22  -12 1  o 30.41974 7.783719  221.1796       123.7456 235.6477       
148.3784 188.1281       224.2643 30.93655 10.02086 29.90293 11.91333 1.033625 
15.56744 
1 1 1 22  -12 2  o 73.02554 5.540473  1140.406       156.2749 1010.954       
183.8099 1478.016       296.8397 67.11982 6.522877 78.93127 8.957646 -11.81145 
11.08095 
1 1 1 22  -12 3  o 26.79071 7.545774  139.6052       128.3168 184.5469       
156.6644 48.00766       223.6596 28.20498 10.23520 25.37644 11.09033 2.828537 
15.09155 
1 1 1 22  -12 4  o 26.35361 7.085599  127.7267       122.4071 249.2440       
157.2157 -59.33810      195.0622 31.43466 10.31727 21.27256 9.714768 10.16211 
14.17120 
1 1 1 22  -12 5  o 62.44340 5.206219  896.9485       134.0539 888.5457       
174.1397 909.1713       210.0246 62.61763 6.624031 62.26917 8.033747 0.3484612 
10.41244 
1 1 1 22  -12 6  o 31.53787 7.791640  250.4657       130.9015 161.7662       
183.1295 343.1346       187.1823 27.39340 10.81192 35.68235 11.22234 -8.288946 
15.58328 
1 1 1 22  -12 7  o 83.83466 9.284017  1729.931       326.7672 0.000000       
0.000000 1729.931       326.7672 ?        ?        83.83466 9.284017 ? ? 
1 1 1 22  -12 8  f 57.24032 7.057780  758.3924       138.4772 1001.342       
299.6414 692.4124       156.1528 59.65371 12.37854 54.82693 6.783862 4.826786 
14.11556 
1 1 1 22  -12 9  o 24.30637 7.680828  21.11907       141.6138 160.1039       
274.3470 -29.36406      165.3445 28.65516 12.40103 19.95757 9.066144 8.697584 
15.36166 
1 1 1 22  -12 10 o 44.38839 8.269568  480.5101       146.1071 855.9348       
280.6857 340.9784       171.1178 53.77751 12.63285 34.99926 10.67493 18.77825 
16.53914 
1 1 1 22  -12 11 o 43.16077 7.687872  400.7055       145.9201 1017.210       
275.2052 159.6004       172.1044 60.21862 11.30211 26.10292 10.42477 34.11571 
15.37574 
1 1 1 22  -12 12 o 23.25795 7.164189  37.83138       144.8147 -195.8634      
232.2547 186.4738       185.2301 19.46964 9.404423 27.04626 10.81015 -7.576622 
14.32838 
1 1 1 22  -12 13 o 27.39203 7.614202  158.0936       155.8884 -159.9683      
242.1777 383.1168       203.7004 20.13015 9.694578 34.65391 11.74391 -14.52376 
15.22840 
1 1 1 22  -12 14 o 32.44638 8.083819  301.2698       172.9203 -57.08743      
246.4567 648.7271       242.6796 21.40758 10.15751 43.48519 12.57846 -22.07761 
16.16764 
1 1 1 22  -12 15 o 26.47850 8.150382  216.1972       170.0678 314.9451       
252.7336 134.4807       229.9080 28.84341 12.17091 24.11358 10.84361 4.729830 
16.30076 
1 1 1 22  -12 16 o 19.61701 6.730859  -113.9373      172.6892 -141.4626      
262.1678 -92.84148      229.5153 19.76670 9.645404 19.46731 9.390635 0.2993927 
13.46172 
1 1 1 22  -11 0  o 26.18462 7.379206  120.4788       119.8376 142.8246       
147.8242 77.63923       204.6778 26.38559 9.886037 25.98364 10.95796 0.4019413 
14.75841 
1 1 1 22  -11 1  o 30.46992 7.702556  155.1686       122.5135 53.82685       
146.9559 386.1113       221.8425 22.44437 9.365324 38.49548 12.23144 -16.05112 
15.40511 
1 1 1 22  -11 2  o 53.43263 6.316292  631.7872       127.6851 566.9908       
151.2615 792.4194       238.1605 50.16616 7.181887 56.69910 10.39243 -6.532932 
12.63258 
1 1 1 22  -11 3  o 35.50223 7.798611  324.1894       128.2610 349.3975       
161.0480 280.4712       212.0887 37.42244 10.03997 33.58201 11.93617 3.840427 
15.59722 
1 1 1 22  -11 4  o 35.68200 6.823719  281.3917       118.5827 86.12603       
156.0309 548.3942       182.4548 23.99412 9.789130 47.36988 9.509231 -23.37576 
13.64744 
1 1 1 22  -11 5  o 64.26627 5.316993  929.8776       140.7050 869.6981       
179.9931 1024.438       225.6246 62.04963 6.909360 66.48290 8.083466 -4.433270 
10.63399 
1 1 1 22  -11 6  o 37.47337 7.006349  371.4418       122.9110 521.8687       
163.7777 177.4749       185.9754 46.48671 8.713506 28.46004 10.97408 18.02668 
14.01270 
1 1 1 22  -11 7  o 46.35048 6.886385  508.4894       131.7407 357.8251       
169.2737 739.9354       209.8017 37.15611 10.42821 55.54486 8.996761 -18.38875 
13.77277 
1 1 1 22  -11 8  o 46.08940 8.110640  451.4550       149.0690 972.3862       
293.3265 270.0681       173.0868 59.93744 12.08048 32.24136 10.82552 27.69607 
16.22128 
1 1 1 22  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  -11 10 o 31.16690 8.333456  246.2561       141.3559 296.5701       
255.2473 223.9989       169.7664 32.76731 12.81050 29.56649 10.66195 3.200821 
16.66691 
1 1 1 22  -11 11 o 37.50555 8.109124  287.7694       155.0051 786.1706       
272.7231 49.94285       188.3920 51.78459 12.63793 23.22652 10.16436 28.55807 
16.21825 
1 1 1 22  -11 12 o 23.40964 7.622054  -129.6117      164.4158 229.0572       
285.8389 -306.9577      200.9950 30.13366 12.83863 16.68562 8.219034 13.44804 
15.24411 
1 1 1 22  -11 13 o 22.84838 7.002034  -98.71654      164.6338 -878.6617      
298.5572 242.0728       197.3506 16.17781 8.239755 29.51896 11.32344 -13.34115 
14.00407 
1 1 1 22  -11 14 o 23.22428 7.342985  35.09614       153.9316 -130.5699      
242.8597 146.3432       199.0137 20.79332 9.939072 25.65524 10.81169 -4.861921 
14.68597 
1 1 1 22  -11 15 o 25.80304 7.783435  151.1914       157.7026 -7.314173      
248.1667 258.5555       204.2448 22.61311 10.57215 28.99297 11.42616 -6.379856 
15.56687 
1 1 1 22  -11 16 o 21.03476 7.009899  -23.82286      160.4919 -88.84021      
254.2852 19.22471       206.9097 20.78207 9.990271 21.28745 9.836120 
-0.5053806     14.01980 
1 1 1 22  -11 17 o 22.61123 7.446944  72.41607       166.4032 45.31988       
289.9511 85.72349       203.1971 23.00337 10.96305 22.21909 10.08163 0.7842789 
14.89389 
1 1 1 22  -10 0  o 35.95643 6.822229  112.1475       124.0060 -106.8533      
144.3382 729.3896       242.3183 17.40422 8.108038 54.50864 10.97410 -37.10443 
13.64446 
1 1 1 22  -10 1  o 37.22216 7.671722  356.8670       126.9015 400.7448       
152.0869 256.3028       230.2455 41.02495 9.071864 33.41937 12.37427 7.605579 
15.34344 
1 1 1 22  -10 2  o 46.79311 6.923731  536.1822       121.4005 556.1573       
143.5621 486.0469       227.4398 50.04822 6.832386 43.53800 12.04453 6.510216 
13.84746 
1 1 1 22  -10 3  o 38.76316 7.316766  379.8465       122.6941 435.1805       
160.4728 301.9801       190.3619 42.59638 9.233195 34.92995 11.35290 7.666428 
14.63353 
1 1 1 22  -10 4  o 36.64441 7.253131  306.4149       120.3881 179.0861       
155.4822 497.0293       190.2370 28.40627 10.20751 44.88256 10.30720 -16.47629 
14.50626 
1 1 1 22  -10 5  o 41.65620 7.122673  441.6541       122.9124 494.7855       
158.2536 360.8755       195.1312 45.72710 8.560116 37.58530 11.38658 8.141796 
14.24535 
1 1 1 22  -10 6  o 36.45929 8.003147  348.9512       148.1965 162.6775       
232.3749 476.6511       192.4016 29.47678 11.97292 43.44180 10.62312 -13.96502 
16.00629 
1 1 1 22  -10 7  o 21.61226 6.759310  -4.246635      119.7627 -8.232499      
158.0517 1.127839       183.5295 20.77629 9.187402 22.44823 9.916890 -1.671936 
13.51862 
1 1 1 22  -10 8  f 20.00512 6.557800  -103.7075      133.2419 -156.3952      
196.7590 -59.08186      181.0809 19.39354 9.148481 20.61670 9.398098 -1.223154 
13.11560 
1 1 1 22  -10 9  o 28.10930 7.868733  165.3552       137.5024 188.6719       
201.2761 144.9506       188.2885 29.09418 11.37552 27.12443 10.87499 1.969746 
15.73747 
1 1 1 22  -10 10 o 24.59570 7.568075  18.44236       157.9591 -205.9855      
250.3806 166.8210       203.5860 21.07365 10.07755 28.11774 11.29363 -7.044086 
15.13615 
1 1 1 22  -10 11 o 26.79461 11.73624  88.41981       251.6253 88.41981       
251.6253 0.000000       0.000000 26.79461 11.73624 ?        ?        ? ? 
1 1 1 22  -10 12 o 37.84662 8.993588  427.9860       166.6187 406.6247       
291.3747 438.3650       203.1024 36.23362 13.79957 39.45962 11.53735 -3.225998 
17.98718 
1 1 1 22  -10 13 o 25.54859 8.132338  37.64562       166.1994 175.0921       
307.7347 -18.95346      197.4760 29.39825 12.92706 21.69892 9.870708 7.699329 
16.26468 
1 1 1 22  -10 14 o 40.69283 9.002248  379.6158       172.4982 984.6804       
330.7716 153.5881       202.1661 54.86946 14.23853 26.51620 11.01935 28.35326 
18.00450 
1 1 1 22  -10 15 o 21.22292 6.956199  -72.80512      155.7128 -292.9571      
249.6090 67.45147       199.2327 18.95555 9.285073 23.49029 10.36061 -4.534739 
13.91240 
1 1 1 22  -10 16 o 23.76638 7.566842  67.81462       158.6319 27.89853       
247.5954 95.60846       206.6059 23.50947 10.82316 24.02329 10.57769 
-0.5138245     15.13368 
1 1 1 22  -10 17 o 27.49740 7.979496  220.8747       169.7285 -64.30137      
286.8017 374.5823       210.5585 22.23523 10.66958 32.75957 11.86800 -10.52434 
15.95899 
1 1 1 22  -10 18 o 25.01466 7.892668  177.1135       171.1693 74.78458       
303.2009 224.9825       207.3760 23.77111 11.27298 26.25822 11.04974 -2.487108 
15.78534 
1 1 1 22  -9  0  o 69.42189 5.356107  1058.182       144.2186 1036.197       
173.1204 1108.036       260.7024 68.99347 5.976699 69.85032 8.889916 
-0.8568497     10.71221 
1 1 1 22  -9  1  o 44.92995 7.254522  492.9956       129.4761 522.1300       
157.1134 431.3319       228.5727 48.37359 7.736170 41.48631 12.27453 6.887287 
14.50904 
1 1 1 22  -9  2  o 51.28883 6.188298  578.7571       127.4653 497.6819       
159.5255 721.9225       211.9849 46.32610 8.521052 56.25156 8.976178 -9.925457 
12.37660 
1 1 1 22  -9  3  o 58.74272 5.388618  769.6257       129.0994 764.5610       
164.3260 777.7925       208.6635 58.91938 6.643076 58.56606 8.486362 0.3533249 
10.77724 
1 1 1 22  -9  4  o 27.24171 6.817419  119.9770       117.4049 289.5399       
155.7717 -103.0226      178.6385 34.62428 10.09771 19.85914 9.162153 14.76514 
13.63484 
1 1 1 22  -9  5  o 47.62041 7.433060  496.1524       152.6655 912.7560       
250.9680 251.4413       192.3462 62.57762 9.552572 32.66321 11.39078 29.91441 
14.86612 
1 1 1 22  -9  6  o 24.71366 7.165664  -1.059794      143.2524 -339.8543      
229.3475 215.6705       183.4364 18.64411 9.083896 30.78321 11.08467 -12.13909 
14.33133 
1 1 1 22  -9  7  o 69.13624 5.264770  1079.072       152.4740 1065.429       
222.0607 1091.243       209.7289 68.54430 7.716517 69.72817 7.164256 -1.183868 
10.52954 
1 1 1 22  -9  8  o 23.28756 6.791548  26.50103       121.0378 169.2999       
159.5875 -166.8826      185.7147 27.86599 10.30524 18.70913 8.848873 9.156853 
13.58310 
1 1 1 22  -9  9  o 27.04817 7.701200  128.2247       134.7006 176.9014       
197.4877 85.87951       184.1968 28.93801 11.27747 25.15833 10.49059 3.779680 
15.40240 
1 1 1 22  -9  10 o 27.56423 7.744121  100.4889       142.7108 294.1534       
217.2385 -46.54083      189.2841 33.76753 12.07237 21.36094 9.702756 12.40659 
15.48824 
1 1 1 22  -9  11 o 37.73100 8.844200  361.2096       162.5856 564.1959       
267.1623 241.8158       204.8957 44.22581 13.30850 31.23620 11.65175 12.98961 
17.68840 
1 1 1 22  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  -9  13 o 27.16702 8.350992  92.31788       166.0143 211.4028       
294.6409 36.92662       200.9487 30.72971 13.06192 23.60433 10.40877 7.125374 
16.70198 
1 1 1 22  -9  14 o 28.12957 8.109592  163.4790       167.8611 -110.9218      
297.2616 291.9431       203.3935 23.89339 11.26344 32.36576 11.67034 -8.472364 
16.21918 
1 1 1 22  -9  15 f 19.96598 6.890607  -239.3104      166.6697 -183.8083      
303.9466 -263.1752      199.3066 22.76764 10.93930 17.16432 8.381738 5.603315 
13.78121 
1 1 1 22  -9  16 o 37.15372 7.574230  394.0583       171.1995 -75.38532      
262.0192 743.7628       226.1476 22.64094 10.64423 51.66650 10.77850 -29.02556 
15.14846 
1 1 1 22  -9  17 o 21.77156 7.182293  -53.80991      167.0054 -309.0169      
294.5758 67.07044       202.7350 20.25568 9.973501 23.28743 10.33782 -3.031752 
14.36459 
1 1 1 22  -9  18 o 27.55905 8.244996  225.4486       176.5111 42.49454       
301.0175 321.3213       217.9056 24.36343 11.44164 30.75466 11.87471 -6.391232 
16.48999 
1 1 1 22  -9  19 o 25.34297 7.933520  179.6916       176.3773 -5.004229      
306.0161 271.5683       215.8334 22.82706 10.96995 27.85887 11.46399 -5.031809 
15.86704 
1 1 1 22  -8  0  o 24.56710 6.870152  81.86098       97.87859 58.57588       
117.0868 135.8865       178.3480 21.36993 8.572450 27.76428 10.73820 -6.394346 
13.74030 
1 1 1 22  -8  1  o 27.33493 7.495251  100.6971       118.9250 38.36277       
145.3742 226.8121       206.7792 22.21609 9.295302 32.45378 11.76063 -10.23769 
14.99050 
1 1 1 22  -8  2  o 39.52885 6.353225  386.4492       124.7912 655.4972       
165.6029 32.91966       189.8305 54.56527 7.228908 24.49242 10.44973 30.07285 
12.70645 
1 1 1 22  -8  3  o 115.5404 4.925327  2958.437       225.3815 3015.806       
278.3925 2849.314       383.9500 118.0825 5.615561 112.9984 8.093260 5.084137 
9.850654 
1 1 1 22  -8  4  o 44.35322 6.861052  473.3698       123.2049 514.8170       
162.1190 416.7058       189.5568 47.26614 8.477040 41.44029 10.79055 5.825848 
13.72210 
1 1 1 22  -8  5  o 31.65296 8.335560  208.3708       145.5413 246.5254       
231.7632 183.5275       187.0147 33.46123 12.40994 29.84469 11.13192 3.616537 
16.67112 
1 1 1 22  -8  6  f 46.41064 7.602077  545.6802       150.9435 356.4503       
231.2273 686.1986       199.2557 37.87530 12.51228 54.94597 8.637657 -17.07067 
15.20415 
1 1 1 22  -8  7  o 61.20863 6.448645  871.6424       160.4625 1012.087       
230.1263 738.7421       223.8598 66.84100 8.200576 55.57627 9.954429 11.26474 
12.89729 
1 1 1 22  -8  8  o 29.13115 7.882841  169.5773       137.3617 103.1861       
203.1580 225.4883       186.4351 26.94500 11.11089 31.31730 11.18503 -4.372303 
15.76568 
1 1 1 22  -8  9  o 20.80824 6.756608  -85.01617      134.5728 -123.4524      
199.8333 -53.12059      182.0383 20.51043 9.549361 21.10606 9.561209 
-0.5956306     13.51322 
1 1 1 22  -8  10 o 59.11518 5.820269  767.4135       139.1689 954.7936       
238.5371 670.7179       171.3553 63.88114 8.894147 54.34922 7.509746 9.531921 
11.64054 
1 1 1 22  -8  11 o 22.63879 7.066365  -36.14465      142.5807 -258.5335      
227.5110 107.6898       182.9689 19.43359 9.368258 25.84399 10.58158 -6.410397 
14.13273 
1 1 1 22  -8  12 o 26.27459 7.488657  99.81857       130.5543 228.5060       
198.6902 2.044518       173.1889 30.77164 11.47484 21.77755 9.625381 8.994087 
14.97731 
1 1 1 22  -8  13 o 27.84111 8.697702  75.90345       174.6621 181.4995       
350.7491 41.08427       201.4105 31.63479 13.85633 24.04742 10.51676 7.587366 
17.39540 
1 1 1 22  -8  14 o 27.13747 12.29455  40.12940       301.0611 40.12940       
301.0611 0.000000       0.000000 27.13747 12.29455 ?        ?        ? ? 
1 1 1 22  -8  15 o 25.96458 8.235028  43.04204       168.2343 165.2334       
313.7682 -6.258992      199.3043 29.67125 13.05010 22.25791 10.04777 7.413332 
16.47006 
1 1 1 22  -8  16 f 35.69140 9.415270  356.5320       177.0016 576.2867       
323.7244 262.8202       211.3994 40.52973 14.71241 30.85307 11.75305 9.676662 
18.83054 
1 1 1 22  -8  17 o 21.25132 6.999164  -139.9701      172.9232 -883.3124      
356.1332 89.35101       197.8063 18.23961 9.239965 24.26304 10.51552 -6.023430 
13.99833 
1 1 1 22  -8  18 o 26.22615 7.920205  133.7174       170.3321 -143.3951      
297.9969 268.1878       207.5855 22.45456 10.79929 29.99775 11.58852 -7.543192 
15.84041 
1 1 1 22  -8  19 o 23.84265 7.716802  63.25836       175.2556 -73.98878      
301.7937 133.0917       215.2732 22.84651 10.95854 24.83880 10.86768 -1.992292 
15.43360 
1 1 1 22  -8  20 o 20.56619 7.008122  -100.5346      167.8248 64.66069       
285.4070 -187.8416      207.4866 23.58813 11.09524 17.54425 8.564505 6.043884 
14.01624 
1 1 1 22  -8  21 o 28.68190 8.352088  308.8460       186.6449 24.96078       
295.6766 496.9013       240.6514 22.70544 10.88024 34.65837 12.67477 -11.95293 
16.70418 
1 1 1 22  -7  0  o 93.95319 4.994738  1925.652       173.5777 1925.644       
202.7525 1925.676       335.8700 94.80923 5.093740 93.09714 8.593220 1.712097 
9.989475 
1 1 1 22  -7  1  o 89.24876 4.245120  1767.689       152.4249 1924.045       
195.5912 1525.874       243.2389 94.82755 4.912876 83.66998 6.924436 11.15758 
8.490239 
1 1 1 22  -7  2  o 22.56374 6.834470  1.520598       115.5814 -50.23392      
152.2927 71.82671       177.5013 19.76568 8.858927 25.36179 10.40958 -5.596111 
13.66894 
1 1 1 22  -7  3  o 43.52453 6.970681  421.9402       124.4703 295.9437       
160.0366 614.8520       198.0247 35.50126 10.19693 51.54779 9.507060 -16.04654 
13.94136 
1 1 1 22  -7  4  o 83.14061 5.083455  1508.193       176.9491 1630.040       
262.3155 1406.451       239.6987 86.17521 7.250412 80.10601 7.127243 6.069199 
10.16691 
1 1 1 22  -7  5  o 44.19469 7.959996  441.1692       150.3987 687.0264       
240.9713 284.2825       192.4939 53.52796 11.09569 34.86141 11.41630 18.66655 
15.91999 
1 1 1 22  -7  6  o 86.03767 5.004557  1610.902       172.2871 1687.418       
293.8705 1570.830       212.6696 87.00233 8.045374 85.07301 5.954353 1.929321 
10.00911 
1 1 1 22  -7  7  o 24.39799 7.087902  68.69628       117.8059 -14.75620      
193.8995 117.5256       148.3192 23.18843 10.22507 25.60756 9.818414 -2.419140 
14.17580 
1 1 1 22  -7  8  o 27.74919 7.731171  120.7676       135.1242 208.7616       
197.9127 43.93478       184.9357 31.11611 11.48235 24.38228 10.35566 6.733831 
15.46234 
1 1 1 22  -7  9  o 25.34465 7.390087  42.30687       138.4980 -128.3764      
203.9161 188.4671       188.6994 20.81675 9.674378 29.87255 11.17407 -9.055807 
14.78017 
1 1 1 22  -7  10 o 29.18808 8.048029  166.7135       141.2913 182.3432       
214.6185 154.7578       187.7068 30.10587 11.75153 28.27030 10.99930 1.835566 
16.09606 
1 1 1 22  -7  11 o 83.60817 5.416313  1581.228       177.8722 1596.306       
310.6152 1573.871       216.9693 82.77522 8.938065 84.44113 6.120196 -1.665916 
10.83263 
1 1 1 22  -7  12 o 43.87309 7.634793  476.6488       139.1181 602.9685       
215.8814 386.9353       181.9317 48.80025 10.82282 38.94592 10.77157 9.854328 
15.26959 
1 1 1 22  -7  13 o 39.02309 7.833885  385.6938       136.2900 519.9331       
207.5509 283.9288       180.7108 44.70544 11.09617 33.34076 11.06137 11.36468 
15.66777 
1 1 1 22  -7  14 o 27.79097 8.581263  98.45508       176.1502 69.78797       
335.8983 109.3294       206.8795 29.18008 13.11528 26.40185 11.06985 2.778231 
17.16253 
1 1 1 22  -7  15 o 21.27687 9.822356  -73.02963      205.7274 0.000000       
0.000000 -73.02963      205.7274 ?        ?        21.27687 9.822356 ? ? 
1 1 1 22  -7  16 f 41.97678 9.231421  529.4261       175.5938 532.7291       
313.7045 527.9191       211.8992 40.32615 14.49823 43.62741 11.43143 -3.301266 
18.46284 
1 1 1 22  -7  17 o 31.35010 9.327127  187.5197       184.0153 513.7327       
367.2740 78.18332       212.6287 37.90633 15.19230 24.79386 10.82474 13.11247 
18.65425 
1 1 1 22  -7  18 o 37.79150 9.918930  259.4304       187.4812 1079.264       
418.0681 53.05545       209.7551 51.89600 16.82173 23.68702 10.51524 28.20898 
19.83786 
1 1 1 22  -7  19 o 26.96500 8.507369  128.5992       203.1099 -19.81160      
308.1870 242.5577       270.0567 24.58531 11.55416 29.34468 12.49010 -4.759363 
17.01474 
1 1 1 22  -7  20 o 29.78347 8.600943  244.7088       195.3083 -63.63297      
286.0201 514.0904       267.3403 22.65924 10.82025 36.90769 13.37263 -14.24845 
17.20189 
1 1 1 22  -7  21 o 21.76767 7.366786  -87.70989      201.1192 -361.4317      
303.8568 125.7007       268.3010 19.04840 9.489779 24.48694 11.27042 -5.438536 
14.73357 
1 1 1 22  -7  22 o 23.88266 7.912631  103.9398       203.6853 -22.31584      
301.8349 209.5105       276.0043 22.15691 10.70564 25.60840 11.65453 -3.451498 
15.82526 
1 1 1 22  -6  0  o 68.92780 5.310760  932.0407       138.0694 814.1012       
159.2068 1289.841       277.3018 61.45575 6.170499 76.39984 8.645323 -14.94409 
10.62152 
1 1 1 22  -6  1  o 86.28709 4.369006  1542.261       152.9893 1376.550       
189.4849 1852.580       259.2997 80.08206 5.635863 92.49213 6.677566 -12.41007 
8.738011 
1 1 1 22  -6  2  f 25.64826 7.245982  82.84344       117.0707 47.10712       
153.0922 133.1725       181.6803 23.22054 9.615649 28.07598 10.84234 -4.855438 
14.49196 
1 1 1 22  -6  3  o 71.19092 6.222802  1146.596       181.4973 975.5944       
273.5025 1281.157       242.6162 65.84583 9.893593 76.53600 7.550490 -10.69016 
12.44560 
1 1 1 22  -6  4  o 75.55095 5.710711  1268.930       177.3135 1192.287       
275.1399 1323.371       231.8890 73.17254 8.956257 77.92935 7.087617 -4.756813 
11.42142 
1 1 1 22  -6  5  o 40.71464 7.895463  406.7909       135.8890 329.8681       
242.5877 441.9651       164.0415 37.71527 12.81596 43.71400 9.225204 -5.998722 
15.79093 
1 1 1 22  -6  6  o 33.31193 8.484529  239.2172       150.3434 215.1257       
241.0024 254.5655       192.3623 33.02443 12.55811 33.59943 11.41240 
-0.5750008     16.96906 
1 1 1 22  -6  7  o 33.56539 7.597065  262.9962       123.9970 321.4907       
164.5035 186.0360       188.6909 36.83310 10.26165 30.29768 11.20536 6.535423 
15.19413 
1 1 1 22  -6  8  o 37.09644 7.505152  296.7919       138.1812 549.2580       
206.0190 90.34023       186.3009 47.93026 10.52439 26.26262 10.70263 21.66764 
15.01030 
1 1 1 22  -6  9  o 23.28499 7.173015  -35.30281      135.6264 103.6661       
203.3972 -146.5615      181.9924 27.35506 11.17119 19.21491 9.000731 8.140144 
14.34603 
1 1 1 22  -6  10 o 34.39820 8.193666  275.0325       138.3897 335.4802       
217.6027 233.9790       179.3286 36.92574 12.13805 31.87067 11.00965 5.055067 
16.38733 
1 1 1 22  -6  11 o 66.85661 5.984384  1012.647       165.6928 1059.724       
258.2101 979.6924       216.0389 67.77154 9.075008 65.94169 7.803564 1.829849 
11.96877 
1 1 1 22  -6  12 o 77.83969 4.966342  1304.373       159.1862 1641.741       
257.1248 1094.700       202.7045 85.61192 7.153702 70.06746 6.890775 15.54446 
9.932685 
1 1 1 22  -6  13 o 37.30523 7.915368  332.3317       137.5873 511.9778       
215.1964 208.1225       178.9381 44.54637 11.44643 30.06409 10.93579 14.48228 
15.83074 
1 1 1 22  -6  14 o 61.12099 7.148631  913.9505       173.5399 632.3486       
236.0381 1245.257       256.0233 49.13847 11.61143 73.10351 8.341849 -23.96504 
14.29726 
1 1 1 22  -6  15 o 44.39738 8.307464  534.4109       159.4365 625.0450       
222.8040 439.2925       228.2491 48.92169 11.10008 39.87307 12.36301 9.048615 
16.61493 
1 1 1 22  -6  16 o 24.70223 7.998141  -40.83780      172.3547 88.57327       
308.1105 -99.77607      207.9311 28.54453 12.70196 20.85993 9.723228 7.684591 
15.99628 
1 1 1 22  -6  17 f 33.80608 14.71471  303.3558       390.4826 303.3558       
390.4826 0.000000       0.000000 33.80608 14.71471 ?        ?        ? ? 
1 1 1 22  -6  18 o 37.36095 10.11304  394.9406       200.9058 700.2839       
389.0748 283.9242       234.6025 42.89618 16.04522 31.82573 12.31443 11.07044 
20.22608 
1 1 1 22  -6  19 o 35.86807 10.10449  242.0745       229.8355 978.3802       
426.8491 -58.56059      272.7502 48.27366 16.95590 23.46248 10.99547 24.81119 
20.20898 
1 1 1 22  -6  20 o 24.92841 8.102278  42.15024       195.1424 13.69538       
280.0778 68.99603       272.0436 24.49666 11.36664 25.36016 11.54933 
-0.8635025     16.20456 
1 1 1 22  -6  21 o 22.07957 7.480392  -92.47189      197.3741 -86.32297      
283.1148 -98.28635      275.3072 22.27716 10.66817 21.88199 10.48882 0.3951721 
14.96078 
1 1 1 22  -6  22 o 23.90731 7.936013  78.63859       203.4530 88.30869       
298.1093 70.20747       278.3574 24.20041 11.37048 23.61421 11.07399 0.5862045 
15.87203 
1 1 1 22  -6  23 o 27.12961 8.683558  281.9992       214.3703 188.7958       
308.0439 369.5234       298.5114 25.33252 11.81833 28.92670 12.72572 -3.594179 
17.36712 
1 1 1 22  -5  0  o 35.80196 6.109777  273.2031       88.87894 211.5894       
110.8171 384.3007       148.8060 30.56672 8.386016 41.03721 8.887758 -10.47049 
12.21955 
1 1 1 22  -5  1  o 94.30910 4.359369  1893.031       161.3657 1858.329       
195.4276 1967.383       286.0583 93.35081 4.986421 95.26739 7.152063 -1.916573 
8.718739 
1 1 1 22  -5  2  o 59.12075 4.307479  759.9055       104.5622 798.9247       
136.6799 704.8462       162.3608 61.13484 5.325210 57.10666 6.771976 4.028183 
8.614959 
1 1 1 22  -5  3  o 82.35097 4.683165  1415.098       158.9470 1207.729       
202.6394 1746.711       256.2522 74.83479 6.449729 89.86716 6.791842 -15.03237 
9.366329 
1 1 1 22  -5  4  o 24.33722 7.183131  6.423884       130.5282 139.7462       
184.6516 -126.7342      184.5378 28.53971 10.95154 20.13472 9.298018 8.404997 
14.36626 
1 1 1 22  -5  5  o 29.08077 7.560716  162.6546       120.1636 173.4044       
185.1361 154.8295       157.9559 29.97263 11.09647 28.18891 10.27259 1.783724 
15.12143 
1 1 1 22  -5  6  o 62.28033 5.905123  845.3704       152.1245 665.3711       
204.4757 1068.502       227.6599 54.73833 8.897568 69.82233 7.766285 -15.08400 
11.81025 
1 1 1 22  -5  7  o 85.62997 5.809657  1634.419       205.5096 1725.723       
272.9461 1514.906       312.2774 88.85571 7.316655 82.40422 9.026351 6.451492 
11.61931 
1 1 1 22  -5  8  o 21.80106 6.914440  -87.86211      135.2314 30.59319       
195.5625 -196.4074      187.2034 24.87513 10.60946 18.72699 8.870024 6.148138 
13.82888 
1 1 1 22  -5  9  o 51.83070 7.291292  672.1984       153.0648 382.7110       
229.5406 903.9940       205.3985 39.67739 12.41721 63.98400 7.646222 -24.30662 
14.58258 
1 1 1 22  -5  10 o 33.93376 8.018904  222.8191       137.9571 433.4670       
226.7162 98.95975       173.8475 41.85793 12.17391 26.00959 10.44065 15.84834 
16.03781 
1 1 1 22  -5  11 o 62.71080 6.200201  958.0868       145.1653 700.3633       
235.0293 1117.047       184.5819 53.88193 10.77041 71.53967 6.145584 -17.65775 
12.40040 
1 1 1 22  -5  12 o 27.92504 7.205605  107.5145       133.2583 -152.8331      
200.9812 311.7580       178.0134 20.14803 9.441550 35.70205 10.88761 -15.55403 
14.41121 
1 1 1 22  -5  13 o 37.09886 7.887947  320.3618       152.9707 565.5712       
217.2683 79.32848       215.4102 47.57569 11.07482 26.62202 11.23508 20.95367 
15.77589 
1 1 1 22  -5  14 o 41.33781 8.303273  444.8267       151.1142 468.2981       
206.1051 417.5416       222.2189 42.75636 11.30685 39.91927 12.16276 2.837086 
16.60655 
1 1 1 22  -5  15 o 50.20219 7.132976  617.0229       141.7281 586.7263       
179.7728 666.7772       230.3784 49.33629 9.014041 51.06808 11.05733 -1.731785 
14.26595 
1 1 1 22  -5  16 o 23.59259 7.393209  -8.732022      148.2962 -105.3430      
205.6712 95.88461       214.0231 20.84393 9.698150 26.34125 11.16172 -5.497320 
14.78642 
1 1 1 22  -5  17 o 28.06567 8.992610  22.51985       210.6053 197.6202       
378.3327 -56.10365      253.5166 32.29844 14.25724 23.83291 10.96355 8.465525 
17.98522 
1 1 1 22  -5  18 o 36.59666 13.72265  406.3907       284.9344 0.000000       
0.000000 406.3907       284.9344 ?        ?        36.59666 13.72265 ? ? 
1 1 1 22  -5  19 o 25.90021 8.522766  -16.77280      215.7114 25.26256       
362.1425 -39.88863      268.5511 27.73439 12.89052 24.06603 11.15278 3.668352 
17.04553 
1 1 1 22  -5  20 f 45.99484 10.69915  728.1082       242.3715 1078.751       
386.4712 500.7957       311.1689 54.28993 15.92833 37.69975 14.28899 16.59019 
21.39830 
1 1 1 22  -5  21 o 24.90789 8.077603  -27.64724      205.1485 -326.8530      
297.4265 243.8760       283.3337 20.31813 10.00850 29.49765 12.68151 -9.179518 
16.15521 
1 1 1 22  -5  22 o 23.99649 7.886258  16.47379       199.4659 -173.3048      
303.4800 160.8085       264.6622 21.67587 10.53325 26.31712 11.73981 -4.641253 
15.77252 
1 1 1 22  -5  23 o 29.61785 8.477130  326.4893       189.0552 40.29721       
307.7980 499.8695       239.5724 23.57291 11.24893 35.66280 12.68497 -12.08989 
16.95426 
1 1 1 22  -4  0  o 40.69798 6.704000  363.0154       109.6747 309.5207       
137.4930 456.5995       181.8554 36.83566 8.963239 44.56031 9.971703 -7.724644 
13.40800 
1 1 1 22  -4  1  o 64.64127 4.690367  895.8867       123.6005 883.8682       
156.6906 915.6832       201.0986 64.25874 5.808071 65.02380 7.366444 
-0.7650528     9.380734 
1 1 1 22  -4  2  o 36.42568 7.301189  294.2769       117.0388 226.6891       
153.9406 386.8625       180.1734 31.98409 10.19170 40.86728 10.45747 -8.883183 
14.60238 
1 1 1 22  -4  3  o 54.83459 6.102953  659.5541       140.3829 650.0974       
201.6963 668.4398       195.5109 54.39829 8.831487 55.27089 8.425497 
-0.8726006     12.20591 
1 1 1 22  -4  4  o 66.71481 5.726175  967.5281       160.0057 886.3220       
218.7162 1061.031       234.6920 63.69013 8.179560 69.73950 8.015680 -6.049370 
11.45235 
1 1 1 22  -4  5  f 22.20732 6.369672  -19.26124      112.5723 -307.2983      
183.8377 153.5370       142.3902 16.75262 8.157038 27.66201 9.785378 -10.90939 
12.73934 
1 1 1 22  -4  6  o 117.9898 5.142022  3016.266       254.2441 3136.694       
373.4932 2912.276       347.0699 120.1054 7.406979 115.8742 7.134300 4.231247 
10.28404 
1 1 1 22  -4  7  o 26.02520 7.431456  69.94647       128.1946 153.0228       
186.8740 -3.899312      176.1867 29.17821 11.06917 22.87218 9.918649 6.306036 
14.86291 
1 1 1 22  -4  8  o 83.43303 4.964349  1506.257       168.3628 1484.435       
212.5262 1543.030       275.8848 82.97858 6.100531 83.88747 7.833427 
-0.9088821     9.928699 
1 1 1 22  -4  9  o 56.16412 6.572538  686.5923       148.8593 894.0380       
239.1283 555.3421       190.2080 63.30386 8.997499 49.02438 9.583216 14.27948 
13.14508 
1 1 1 22  -4  10 o 128.1470 5.710886  3636.866       307.0287 3802.692       
435.5457 3473.067       432.8749 131.1888 7.907844 125.1052 8.241535 6.083611 
11.42177 
1 1 1 22  -4  11 o 27.07713 7.606786  36.17048       139.4154 266.2627       
219.1726 -120.2010      180.6817 34.34634 12.14131 19.80792 9.167409 14.53843 
15.21357 
1 1 1 22  -4  12 o 43.44795 7.835031  466.5125       143.5200 410.1630       
218.3849 509.3517       190.4139 40.70378 11.98356 46.19212 10.09679 -5.488342 
15.67006 
1 1 1 22  -4  13 o 54.75968 7.428047  723.7025       165.3150 1000.012       
239.4277 471.9644       228.5339 66.33025 8.597732 43.18911 12.11539 23.14113 
14.85609 
1 1 1 22  -4  14 o 24.10075 7.367175  -50.26810      148.2948 -247.0882      
205.0106 165.7386       214.7708 18.63355 8.960566 29.56795 11.69655 -10.93439 
14.73435 
1 1 1 22  -4  15 o 21.48386 6.980656  -106.0505      145.9096 -198.2480      
202.8878 -7.285119      209.9901 19.21465 9.160533 23.75307 10.53579 -4.538424 
13.96131 
1 1 1 22  -4  16 o 21.18448 6.950511  -130.7797      148.8455 -227.3627      
201.6070 -15.05503      220.6826 18.52461 8.902737 23.84436 10.67613 -5.319750 
13.90102 
1 1 1 22  -4  17 o 35.53464 9.050607  321.0440       175.2271 468.1700       
265.8008 207.9542       233.0362 40.51829 13.41514 30.55099 12.15270 9.967293 
18.10121 
1 1 1 22  -4  18 o 26.36086 8.200706  53.37645       174.3926 142.7745       
267.3434 -12.84046      230.0858 28.90792 12.36941 23.81379 10.77052 5.094130 
16.40141 
1 1 1 22  -4  19 o 28.72709 9.094294  101.1832       227.6763 -42.31678      
381.5962 180.5028       283.7060 27.69141 12.98241 29.76276 12.73898 -2.071348 
18.18859 
1 1 1 22  -4  20 o 30.06864 13.50879  167.7739       355.9820 167.7739       
355.9820 0.000000       0.000000 30.06864 13.50879 ?        ?        ? ? 
1 1 1 22  -4  21 o 25.58105 8.356839  26.68600       197.1152 59.38496       
355.1226 12.12570       236.9717 27.50850 12.77761 23.65359 10.77403 3.854916 
16.71368 
1 1 1 22  -4  22 o 20.50706 7.023538  -188.4172      180.5504 -253.1071      
302.7067 -152.6949      224.9436 21.27444 10.37810 19.73969 9.466543 1.534746 
14.04708 
1 1 1 22  -4  23 o 26.19229 8.226654  164.4713       181.8074 77.34767       
308.8514 210.6695       224.9025 25.23319 11.79595 27.15139 11.47027 -1.918203 
16.45331 
1 1 1 22  -4  24 o 25.59499 8.001549  187.9875       180.7229 -14.25079      
310.3423 291.7596       222.3052 22.76434 10.96595 28.42564 11.65535 -5.661303 
16.00310 
1 1 1 22  -3  0  o 52.63046 4.641397  570.3143       100.0685 432.1008       
128.4546 783.6729       159.5987 44.80622 6.828609 60.45470 6.288113 -15.64848 
9.282794 
1 1 1 22  -3  1  o 61.68954 4.661543  755.3649       114.9136 627.2298       
138.8458 1033.982       204.7398 54.11858 6.110931 69.26051 7.041054 -15.14192 
9.323086 
1 1 1 22  -3  2  o 68.47054 5.463717  1007.767       156.1338 1174.454       
231.5786 868.8495       211.4100 73.68553 7.485785 63.25553 7.960644 10.43000 
10.92743 
1 1 1 22  -3  3  o 92.08825 4.453305  1835.337       170.4806 1597.113       
246.3555 2054.251       236.1596 86.13463 6.812486 98.04187 5.737400 -11.90724 
8.906610 
1 1 1 22  -3  4  o 38.75494 7.423942  339.1586       133.4636 161.8240       
188.1328 518.8243       189.3652 29.83118 11.15754 47.67869 9.796370 -17.84751 
14.84788 
1 1 1 22  -3  5  o 47.27450 6.014974  496.6099       116.5765 534.7517       
164.5379 458.1642       165.1920 49.59433 7.902328 44.95468 9.070438 4.639648 
12.02995 
1 1 1 22  -3  6  o 112.8486 5.013591  2759.896       231.9800 2787.244       
298.8004 2718.400       368.0610 113.9192 6.247487 111.7780 7.843041 2.141197 
10.02718 
1 1 1 22  -3  7  o 134.1368 5.545608  3920.288       309.1440 3917.108       
409.5230 3924.501       471.3611 134.4279 7.256212 133.8456 8.388234 0.5822754 
11.09122 
1 1 1 22  -3  8  o 24.39463 7.293437  30.87366       128.8320 0.8185935      
190.4913 56.20952       174.8977 23.91133 10.34055 24.87794 10.28834 
-0.9666195     14.58687 
1 1 1 22  -3  9  o 89.27711 5.319578  1748.184       198.0782 1559.803       
284.2466 1926.021       276.1774 84.34213 8.027341 94.21208 6.982366 -9.869949 
10.63916 
1 1 1 22  -3  10 o 50.76817 7.054847  610.2319       145.1403 446.5668       
214.7518 747.8511       196.9239 43.23166 11.59157 58.30470 8.044811 -15.07304 
14.10969 
1 1 1 22  -3  11 o 38.40688 8.197902  347.6539       151.1019 203.5819       
218.3931 479.9517       209.2789 32.02851 12.01310 44.78525 11.15831 -12.75674 
16.39580 
1 1 1 22  -3  12 o 56.51424 7.155559  735.1393       164.5458 704.7070       
216.6307 776.6413       252.9809 55.86242 9.236795 57.16605 10.93114 -1.303623 
14.31112 
1 1 1 22  -3  13 o 48.61958 7.312694  548.7186       166.3671 130.2093       
226.1585 1042.270       245.5990 29.20237 11.83107 68.03679 8.598128 -38.83442 
14.62539 
1 1 1 22  -3  14 o 44.96117 8.180842  500.1111       163.8948 720.5597       
236.6873 297.0349       227.1699 54.60651 10.70577 35.31583 12.37300 19.29068 
16.36168 
1 1 1 22  -3  15 f 36.17567 8.663269  320.0867       156.5714 272.1714       
210.7347 379.1294       233.9278 33.78120 11.90896 38.57013 12.58513 -4.788929 
17.32654 
1 1 1 22  -3  16 o 27.43768 8.082655  82.95045       161.1133 207.4920       
225.1584 -47.72593      230.6374 31.09803 12.05758 23.77732 10.76718 7.320709 
16.16531 
1 1 1 22  -3  17 o 34.63530 8.968385  297.9652       178.2565 162.1007       
263.6640 412.3470       241.9224 30.18694 12.56699 39.08367 12.79838 -8.896727 
17.93677 
1 1 1 22  -3  18 o 24.53737 7.837076  -51.07303      173.6648 101.0798       
262.9915 -168.7205      231.2560 28.10219 12.15142 20.97255 9.900604 7.129648 
15.67415 
1 1 1 22  -3  19 o 28.82322 8.101033  117.5335       171.8377 -187.3014      
258.2109 359.8622       230.2209 21.70885 10.34599 35.93758 12.46866 -14.22874 
16.20207 
1 1 1 22  -3  20 o 29.58955 9.034191  43.78018       190.2288 483.5407       
360.9647 -125.3185      223.8343 38.23673 15.15165 20.94236 9.843470 17.29437 
18.06838 
1 1 1 22  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  -3  22 o 44.40117 10.63744  499.8871       202.0615 1322.000       
457.7216 300.8956       225.1920 56.94908 17.47706 31.85325 12.13147 25.09583 
21.27488 
1 1 1 22  -3  23 o 21.11305 7.154490  -130.7911      178.0212 -254.5437      
310.8167 -70.37547      217.1711 21.44732 10.47211 20.77878 9.750990 0.6685352 
14.30898 
1 1 1 22  -3  24 o 24.27683 7.863511  86.47263       180.3886 -1.414377      
305.2249 133.6476       223.6214 23.74958 11.28536 24.80407 10.95353 -1.054485 
15.72702 
1 1 1 22  -3  25 o 27.65559 8.531617  282.9535       186.0974 337.3410       
274.5077 236.6996       253.1506 28.82999 12.43970 26.48120 11.67938 2.348797 
17.06323 
1 1 1 22  -2  0  o 29.76767 7.059116  177.3039       98.82635 156.1402       
119.9182 222.1046       174.4744 27.23149 9.010720 32.30385 10.86883 -5.072359 
14.11823 
1 1 1 22  -2  1  o 60.17832 4.702559  720.6678       111.4727 626.3377       
132.8813 944.7350       204.7990 54.16326 5.843596 66.19338 7.369438 -12.03012 
9.405117 
1 1 1 22  -2  2  o 47.72234 6.474066  536.5325       122.9308 364.1341       
187.9045 665.5317       162.5414 39.80809 10.91931 55.63657 6.958643 -15.82848 
12.94813 
1 1 1 22  -2  3  o 34.80767 7.820170  263.2672       132.9546 165.5209       
189.4995 358.0318       186.5868 30.13702 11.21264 39.47832 10.90399 -9.341303 
15.64034 
1 1 1 22  -2  4  o 68.73425 4.869417  1011.558       139.5323 980.6109       
185.4623 1051.921       211.8088 67.60973 6.533824 69.85878 7.221776 -2.249046 
9.738834 
1 1 1 22  -2  5  o 71.10988 5.095466  1077.088       151.1736 1230.552       
229.3056 959.1108       201.0529 75.52782 7.231507 66.69194 7.180557 8.835884 
10.19093 
1 1 1 22  -2  6  o 89.00963 4.802090  1702.080       178.4547 1471.130       
246.7376 1955.403       258.4130 82.58137 7.116630 95.43790 6.449329 -12.85653 
9.604179 
1 1 1 22  -2  7  o 95.77338 5.137865  1980.689       205.8959 1956.529       
279.2874 2009.451       304.7355 95.23957 6.984817 96.30718 7.536774 -1.067612 
10.27573 
1 1 1 22  -2  8  o 31.91768 7.728879  198.5961       137.9634 21.20836       
207.8452 338.3136       184.4607 25.58547 10.92577 38.24990 10.93480 -12.66443 
15.45776 
1 1 1 22  -2  9  o 92.58690 4.875943  1846.548       182.5500 1877.048       
302.4430 1829.069       228.9605 92.83011 7.760250 92.34368 5.905742 0.4864273 
9.751885 
1 1 1 22  -2  10 o 73.77101 5.013035  1194.854       150.1092 1119.792       
240.8837 1242.508       191.9325 71.51820 8.022540 76.02383 6.013396 -4.505630 
10.02607 
1 1 1 22  -2  11 o 36.22689 7.784065  308.4143       136.8710 165.1917       
210.4766 413.3589       180.1681 30.43719 11.68866 42.01659 10.28309 -11.57939 
15.56813 
1 1 1 22  -2  12 o 50.18425 7.867772  601.6620       160.9897 633.3669       
216.9310 562.7941       240.1889 52.08909 10.28577 48.27942 11.90842 3.809669 
15.73554 
1 1 1 22  -2  13 o 77.16832 5.866985  1328.854       184.4512 1344.054       
235.4982 1304.730       296.6781 78.29406 7.164400 76.04257 9.292869 2.251488 
11.73397 
1 1 1 22  -2  14 o 38.63648 8.227359  346.4591       138.5975 303.7557       
170.3650 430.0356       238.3368 35.69009 10.60488 41.58287 12.58151 -5.892773 
16.45472 
1 1 1 22  -2  15 o 36.93054 8.596470  335.3318       155.4941 370.1172       
209.4067 292.5795       232.1517 38.63733 11.81388 35.22375 12.49117 3.413582 
17.19294 
1 1 1 22  -2  16 o 24.29166 7.372575  9.251750       143.5480 -162.5631      
223.3577 130.1571       187.3671 21.18841 9.933417 27.39491 10.89709 -6.206509 
14.74515 
1 1 1 22  -2  17 o 55.87701 8.613996  822.9567       198.2516 665.1550       
306.4623 936.5179       259.9775 48.96471 14.12593 62.78931 9.862142 -13.82459 
17.22799 
1 1 1 22  -2  18 o 49.48349 8.601854  653.4129       175.9664 619.5849       
276.3317 676.4872       228.2213 47.28027 13.34143 51.68671 10.86158 -4.406445 
17.20371 
1 1 1 22  -2  19 o 24.02196 7.637564  -10.76994      160.6913 -39.05339      
248.5240 9.549375       210.6477 24.26490 11.04739 23.77902 10.54916 0.4858799 
15.27513 
1 1 1 22  -2  20 o 49.30499 8.559850  656.9995       176.5547 834.3565       
269.1335 523.0120       233.9245 55.47498 11.89905 43.13499 12.30840 12.33999 
17.11970 
1 1 1 22  -2  21 o 30.16124 8.273876  222.5179       160.4951 63.25905       
253.1862 329.5029       207.5152 26.03962 11.55702 34.28285 11.84328 -8.243227 
16.54775 
1 1 1 22  -2  22 f 27.29801 8.331835  97.55255       199.1875 -459.8990      
400.9829 280.1714       229.5065 23.01895 11.36371 31.57707 12.18786 -8.558121 
16.66367 
1 1 1 22  -2  23 o 27.18930 8.618294  117.5117       206.6653 -107.3963      
386.0965 207.8272       244.6665 25.69170 12.34061 28.68690 12.03367 -2.995203 
17.23659 
1 1 1 22  -2  24 o 23.14916 7.763558  -84.58922      204.5148 -220.4596      
284.4001 60.91481       294.3098 20.90705 10.17130 25.39127 11.73184 -4.484217 
15.52712 
1 1 1 22  -2  25 o 22.71630 7.623513  -57.45732      195.0987 -225.9032      
258.0110 167.4637       298.1420 19.26379 9.436996 26.16882 11.97560 -6.905027 
15.24703 
1 1 1 22  -2  26 o 21.50883 7.353343  -94.39773      199.1903 -287.7473      
268.0792 143.9236       297.6274 18.38445 9.124710 24.63321 11.53370 -6.248762 
14.70669 
1 1 1 22  -1  0  o 69.28290 4.496184  1050.189       117.7915 1083.836       
140.4607 970.4446       216.2362 71.49044 4.679806 67.07536 7.678678 4.415077 
8.992368 
1 1 1 22  -1  1  o 43.09740 7.301356  428.4643       134.6622 267.3886       
191.0231 587.5921       189.8645 34.97401 11.37260 51.22079 9.159865 -16.24678 
14.60271 
1 1 1 22  -1  2  o 85.05962 5.115596  1520.871       180.6443 1296.771       
236.0686 1837.503       280.6041 77.66538 7.239889 92.45384 7.229198 -14.78846 
10.23119 
1 1 1 22  -1  3  o 126.8669 4.942815  3424.586       253.4998 3343.573       
316.6581 3569.158       423.0150 125.1570 6.026379 128.5768 7.836354 -3.419807 
9.885631 
1 1 1 22  -1  4  f 32.55981 7.646412  196.2025       132.1598 363.9667       
194.3463 51.88809       180.2526 39.85892 11.16967 25.26069 10.44552 14.59822 
15.29282 
1 1 1 22  -1  5  o 72.07174 5.470805  1127.725       163.2080 905.3351       
228.2170 1360.521       233.4955 64.57329 8.418139 79.57019 6.989549 -14.99690 
10.94161 
1 1 1 22  -1  6  o 117.5991 5.174455  2961.070       251.7451 3096.895       
394.4271 2867.704       327.0161 119.6261 7.853477 115.5721 6.739646 4.053940 
10.34891 
1 1 1 22  -1  7  o 23.32892 7.193609  -29.70247      135.0349 -102.0968      
193.5513 38.95221       188.4859 21.46311 9.765762 25.19473 10.56513 -3.731619 
14.38722 
1 1 1 22  -1  8  o 77.53783 5.117817  1337.574       160.9595 1087.397       
245.8107 1525.365       212.9678 70.66031 8.286025 84.41534 6.009159 -13.75503 
10.23563 
1 1 1 22  -1  9  o 51.59554 7.237018  608.6272       149.5238 617.9161       
231.7638 602.0043       195.6987 51.62457 11.01770 51.56651 9.386591 
0.5805969E-01  14.47404 
1 1 1 22  -1  10 o 49.92953 7.113749  579.9991       144.2259 471.9702       
218.7072 663.1282       191.8535 44.79637 11.55621 55.06270 8.299143 -10.26633 
14.22750 
1 1 1 22  -1  11 o 82.56143 5.107654  1434.302       174.2099 1760.535       
277.8806 1223.055       223.6095 90.01048 7.353369 75.11240 7.090873 14.89808 
10.21531 
1 1 1 22  -1  12 o 37.59561 8.201106  313.1390       154.8213 495.6544       
218.7487 129.9490       219.1526 45.68454 11.42355 29.50668 11.77009 16.17786 
16.40221 
1 1 1 22  -1  13 o 32.72047 8.196132  228.8329       137.8696 232.6116       
172.8936 222.2338       228.4809 32.31635 10.81948 33.12459 12.31443 
-0.8082352     16.39226 
1 1 1 22  -1  14 o 27.17038 7.791584  -8.948052      155.9743 -232.6924      
209.6397 268.4741       233.4361 19.47936 9.292660 34.86140 12.50926 -15.38204 
15.58317 
1 1 1 22  -1  15 o 29.08501 8.230879  129.7050       155.7747 201.0825       
210.4259 43.16104       231.7059 31.38055 11.78762 26.78947 11.49093 4.591076 
16.46176 
1 1 1 22  -1  16 o 29.91080 8.357935  82.51854       181.5326 -236.2951      
272.4529 337.0512       243.4415 22.65537 10.71655 37.16624 12.82871 -14.51087 
16.71587 
1 1 1 22  -1  17 o 56.35579 8.259502  785.1706       184.1378 837.3473       
301.0320 753.9762       232.7621 56.87418 12.90100 55.83739 10.31706 1.036789 
16.51900 
1 1 1 22  -1  18 o 44.39026 8.575631  441.5949       151.4312 734.7859       
293.3859 335.1192       176.8028 52.22727 13.33267 36.55324 10.78914 15.67403 
17.15126 
1 1 1 22  -1  19 o 54.78851 7.728821  731.0789       168.2399 922.4987       
274.2091 615.5203       213.0539 60.17093 11.27141 49.40610 10.57800 10.76483 
15.45764 
1 1 1 22  -1  20 o 45.71360 8.528860  586.0546       170.8455 438.4140       
261.0647 696.6458       225.9464 39.27135 13.29508 52.15585 10.68675 -12.88451 
17.05772 
1 1 1 22  -1  21 o 29.15529 7.521114  116.7043       160.3631 -337.9959      
253.6201 419.5837       206.9931 19.32381 9.440590 38.98677 11.71085 -19.66297 
15.04223 
1 1 1 22  -1  22 o 45.30789 8.982938  603.7235       185.9578 814.1823       
270.2677 414.5162       256.2593 53.60057 12.26920 37.01521 13.12400 16.58537 
17.96588 
1 1 1 22  -1  23 o 39.53706 10.51515  571.9398       249.5854 406.3786       
392.3876 684.4379       323.4510 34.80612 14.94236 44.26801 14.79862 -9.461895 
21.03029 
1 1 1 22  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  -1  25 o 26.08830 8.352570  54.30514       197.8265 -146.5155      
256.5765 348.6989       310.6540 20.78427 10.00201 31.39233 13.37989 -10.60806 
16.70514 
1 1 1 22  -1  26 o 22.66627 7.618729  -0.2456528     194.7716 -16.24793      
255.8891 21.79469       300.3101 21.90448 10.37283 23.42806 11.16175 -1.523577 
15.23746 
1 1 1 22  -1  27 o 27.54436 8.779101  305.4446       216.2237 245.5574       
307.1469 364.2825       304.4439 26.34735 12.09811 28.74137 12.72503 -2.394020 
17.55820 
1 1 1 22  0   0  o 118.7068 4.004436  3020.198       182.0238 3051.545       
217.5547 2947.043       332.3475 120.0834 4.315257 117.3301 6.746894 2.753265 
8.008871 
1 1 1 22  0   1  o 141.3886 5.529842  4300.450       327.7775 4411.876       
478.8098 4202.180       449.6572 143.0386 7.973167 139.7386 7.664543 3.300003 
11.05968 
1 1 1 22  0   2  o 38.99628 7.811698  342.3572       135.8492 427.6225       
194.8073 261.6399       189.5405 43.25197 10.75910 34.74059 11.32838 8.511383 
15.62340 
1 1 1 22  0   3  o 88.00932 4.725831  1672.237       171.4172 1302.139       
240.7506 2052.784       244.1256 77.86284 7.364754 98.15579 5.924046 -20.29295 
9.451662 
1 1 1 22  0   4  o 96.44021 4.269335  1982.837       172.8406 2025.318       
246.1690 1941.532       242.7342 97.46419 6.016023 95.41623 6.059402 2.047958 
8.538671 
1 1 1 22  0   5  o 104.1309 4.909736  2280.744       212.1085 2050.402       
275.3386 2616.974       332.6591 97.86157 6.701560 110.4002 7.177125 -12.53867 
9.819471 
1 1 1 22  0   6  o 93.25488 4.872024  1805.043       186.3927 2152.015       
305.7458 1599.817       235.1412 100.0400 7.279605 86.46975 6.477175 13.57025 
9.744047 
1 1 1 22  0   7  o 47.00861 7.494319  504.1925       144.0523 537.8185       
212.8717 475.7853       195.6567 48.42313 10.75382 45.59410 10.44101 2.829029 
14.98864 
1 1 1 22  0   8  o 65.07719 5.720026  955.0533       147.5900 784.6834       
238.7846 1060.377       187.7475 59.79301 9.512114 70.36137 6.355664 -10.56836 
11.44005 
1 1 1 22  0   9  o 37.66695 7.818601  320.1415       146.9448 101.9357       
220.2827 495.0907       197.2437 28.91574 11.69223 46.41816 10.38334 -17.50243 
15.63720 
1 1 1 22  0   10 o 22.22029 7.082586  -85.33900      139.7492 -53.79760      
209.1951 -110.7591      187.8018 23.60040 10.48592 20.84017 9.523527 2.760235 
14.16517 
1 1 1 22  0   11 o 40.29018 8.161419  367.6272       146.2612 480.8649       
221.2175 279.6826       194.9523 45.23579 11.59477 35.34457 11.48897 9.891220 
16.32284 
1 1 1 22  0   12 o 35.40411 7.631228  282.1236       131.5710 402.4315       
181.4709 148.7985       191.0363 41.57799 10.40963 29.23023 11.16164 12.34775 
15.26246 
1 1 1 22  0   13 o 31.83874 8.281244  190.0219       154.1422 300.6375       
204.2713 43.74174       234.9048 36.23845 11.75966 27.43902 11.66303 8.799433 
16.56249 
1 1 1 22  0   14 o 64.44381 6.913833  934.6219       183.9002 930.2820       
239.4661 940.8611       287.1201 64.67145 8.819675 64.21617 10.64977 0.4552765 
13.82767 
1 1 1 22  0   15 o 81.33943 5.943249  1462.444       201.9513 1372.760       
269.7959 1576.727       304.5578 78.65107 8.170559 84.02779 8.633123 -5.376717 
11.88650 
1 1 1 22  0   16 o 44.16772 8.907889  490.0729       171.3909 466.4340       
275.6494 504.9715       218.8345 42.92083 13.63400 45.41460 11.46804 -2.493771 
17.81578 
1 1 1 22  0   17 o 59.09485 7.418573  798.4021       176.9307 989.6954       
289.3885 684.2106       223.5878 64.77831 10.64076 53.41139 10.33998 11.36692 
14.83715 
1 1 1 22  0   18 o 51.42763 8.029654  660.8464       168.9203 715.9833       
240.6511 607.2949       237.1659 53.83993 11.02646 49.01533 11.67556 4.824604 
16.05931 
1 1 1 22  0   19 o 38.28807 8.498954  333.0953       162.7374 615.5618       
257.0735 144.2046       210.2224 48.21670 12.57133 28.35944 11.44074 19.85726 
16.99791 
1 1 1 22  0   20 o 29.86612 8.608439  165.9869       170.7427 246.7567       
252.9454 98.37840       231.4211 32.48532 12.74189 27.24692 11.57865 5.238398 
17.21688 
1 1 1 22  0   21 o 30.10430 8.552477  183.2731       163.7299 111.1113       
211.4524 291.3166       258.7368 26.64160 11.18192 33.56700 12.94388 -6.925400 
17.10495 
1 1 1 22  0   22 f 28.53291 8.582716  142.8666       182.2371 210.9344       
253.4548 70.01365       262.2126 30.33922 12.44344 26.72660 11.82425 3.612617 
17.16543 
1 1 1 22  0   23 o 36.48880 9.295706  399.5609       189.0198 264.1937       
267.4482 534.6574       267.1807 31.55363 12.83526 41.42397 13.44978 -9.870338 
18.59141 
1 1 1 22  0   24 o 21.74646 7.357210  -180.9787      191.9372 -75.28143      
276.1445 -279.7683      266.9685 23.39174 10.98049 20.10118 9.795043 3.290556 
14.71442 
1 1 1 22  0   25 o 29.21616 9.132392  213.3577       222.2916 137.5479       
319.0344 284.8888       309.9003 27.67838 12.57881 30.75393 13.24295 -3.075542 
18.26478 
1 1 1 22  0   26 o 22.97778 7.693883  -34.86175      196.6631 -84.71067      
268.4472 22.88363       288.9279 21.87179 10.45337 24.08377 11.29205 -2.211979 
15.38777 
1 1 1 22  0   27 f 25.73756 8.367230  186.4153       208.3868 147.5343       
334.7797 211.0090       266.2574 25.37486 11.95927 26.10026 11.70547 
-0.7254047     16.73446 
1 1 1 22  1   0  o 27.63422 7.560050  95.70169       129.0322 196.0110       
189.4434 8.896829       176.2304 31.65749 11.27807 23.61095 10.07088 8.046537 
15.12010 
1 1 1 22  1   1  o 59.82545 6.116630  771.8869       143.8176 515.0574       
191.2028 1106.509       218.2474 47.79867 9.864557 71.85222 7.234858 -24.05355 
12.23326 
1 1 1 22  1   2  o 25.91437 7.413547  64.62957       127.2340 7.042896       
180.8627 121.0510       179.0235 23.85501 10.18954 27.97372 10.77108 -4.118713 
14.82709 
1 1 1 22  1   3  o 85.95943 4.483863  1577.132       161.5907 1673.163       
228.6483 1481.309       228.3995 88.61676 6.145727 83.30209 6.530709 5.314667 
8.967727 
1 1 1 22  1   4  o 111.6951 5.066467  2707.200       232.8664 2881.891       
307.0175 2470.571       357.3229 116.2509 6.290541 107.1392 7.943893 9.111656 
10.13293 
1 1 1 22  1   5  o 51.58117 6.097292  583.2124       129.0044 581.6171       
176.3122 585.0505       189.2542 51.94665 8.084363 51.21569 9.129674 0.7309570 
12.19458 
1 1 1 22  1   6  o 52.83923 6.159393  616.1226       130.1960 600.1602       
205.6539 626.7993       168.1936 51.65887 9.836309 54.01959 7.416165 -2.360714 
12.31879 
1 1 1 22  1   7  o 118.4495 5.632363  3022.064       279.4625 3315.598       
403.6700 2751.885       387.2788 124.0490 7.750937 112.8499 8.174169 11.19910 
11.26473 
1 1 1 22  1   8  o 42.97827 7.247937  453.9740       136.0556 217.3640       
223.7274 592.8302       171.3900 33.54472 12.22551 52.41183 7.788918 -18.86711 
14.49587 
1 1 1 22  1   9  o 56.99191 6.726995  710.3056       154.1918 947.9198       
233.2407 525.8449       205.5038 66.06551 8.409120 47.91830 10.50222 18.14721 
13.45399 
1 1 1 22  1   10 o 33.79585 8.334607  208.5754       148.1114 364.8901       
232.8224 102.3111       191.9634 39.94160 12.50681 27.65010 11.02009 12.29149 
16.66921 
1 1 1 22  1   11 o 40.29597 7.698566  378.0599       147.2868 147.7389       
217.1410 574.3315       200.4490 30.37027 11.82743 50.22168 9.858171 -19.85141 
15.39713 
1 1 1 22  1   12 o 53.27528 7.192721  620.6761       155.5378 954.9355       
241.4914 383.7195       203.3267 65.98122 8.717710 40.56935 11.44301 25.41187 
14.38544 
1 1 1 22  1   13 f 57.87691 5.978998  761.6773       136.1482 829.2744       
176.3520 661.9454       214.2070 61.95133 6.780331 53.80250 9.849914 8.148830 
11.95800 
1 1 1 22  1   14 o 23.81438 7.370798  -39.45717      147.4511 73.60276       
186.3198 -228.9341      241.2031 26.03415 10.67184 21.59461 10.16988 4.439547 
14.74160 
1 1 1 22  1   15 o 25.86286 7.821033  30.17505       150.8963 34.22217       
208.7236 25.74379       218.4046 25.74506 10.96995 25.98067 11.15054 
-0.2356148     15.64207 
1 1 1 22  1   16 o 43.84375 8.889075  455.0920       168.0718 568.1624       
275.5206 388.0799       212.1075 47.62451 13.28423 40.06299 11.81490 7.561523 
17.77815 
1 1 1 22  1   17 o 42.57154 8.196221  340.9677       168.7562 841.2309       
285.3007 71.74211       209.2963 58.53696 12.02184 26.60612 11.14395 31.93085 
16.39244 
1 1 1 22  1   18 o 21.51505 7.098094  -122.7190      138.3094 -90.55215      
267.9687 -134.4002      161.4814 25.00515 11.40772 18.02495 8.449594 6.980202 
14.19619 
1 1 1 22  1   19 o 39.06605 9.362142  385.4585       185.6526 508.8656       
273.9228 280.6076       252.4899 43.59783 13.54876 34.53427 12.92400 9.063557 
18.72428 
1 1 1 22  1   20 o 22.93077 7.553051  -135.3924      178.5334 -164.7610      
252.7013 -106.1244      252.2679 22.39145 10.50970 23.47009 10.85083 -1.078648 
15.10610 
1 1 1 22  1   21 o 25.50919 7.912645  41.92180       161.6847 -17.42115      
259.0322 79.80029       206.9500 25.28152 11.43149 25.73687 10.94353 
-0.4553490     15.82529 
1 1 1 22  1   22 o 39.25021 9.416058  439.9946       191.1775 578.4597       
273.4399 307.5857       267.3932 44.47724 13.48002 34.02318 13.15057 10.45406 
18.83212 
1 1 1 22  1   23 o 26.80478 8.072084  -22.80908      190.3188 -437.0800      
279.7938 333.9248       259.6378 19.30558 9.521377 34.30399 13.03755 -14.99840 
16.14417 
1 1 1 22  1   24 o 38.95649 9.703163  485.4665       197.3086 540.7443       
291.2493 438.5773       268.2415 40.59499 14.03005 37.31800 13.40758 3.276989 
19.40633 
1 1 1 22  1   25 o 36.29836 9.248551  419.6154       195.2021 214.2482       
279.8041 614.3396       272.4573 29.37342 12.61429 43.22329 13.52858 -13.84987 
18.49710 
1 1 1 22  1   26 o 34.22491 9.584980  423.2937       206.7564 374.1214       
332.2167 454.3798       264.1459 32.46651 13.83705 35.98331 13.26738 -3.516800 
19.16996 
1 1 1 22  1   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  1   28 o 30.94402 8.781710  387.0940       189.4128 182.8158       
273.0962 576.4506       262.9329 25.23257 11.51279 36.65548 13.26384 -11.42290 
17.56342 
1 1 1 22  2   0  o 89.40808 4.949287  1685.514       184.1530 1898.498       
284.3698 1531.686       241.6722 94.15527 7.193827 84.66090 6.799311 9.494362 
9.898575 
1 1 1 22  2   1  o 84.46956 4.029370  1517.252       142.7868 1456.244       
202.5376 1577.535       201.3298 82.75635 5.829420 86.18277 5.564276 -3.426422 
8.058741 
1 1 1 22  2   2  o 50.40260 6.559330  558.3067       134.5450 710.8714       
197.1152 425.2218       184.1015 57.47776 8.168481 43.32743 10.26524 14.15033 
13.11866 
1 1 1 22  2   3  o 20.34861 6.571886  -116.2853      125.8101 -62.54598      
183.4110 -164.0409      172.8986 21.96655 9.786743 18.73067 8.773734 3.235880 
13.14377 
1 1 1 22  2   4  o 157.7293 5.521388  5348.066       362.5021 5294.800       
547.8506 5389.549       483.4742 156.7894 8.322742 158.6693 7.257744 -1.879822 
11.04278 
1 1 1 22  2   5  o 67.27805 4.950850  939.8061       137.6659 1142.277       
219.3294 808.1851       176.8389 73.05646 7.150877 61.49964 6.848988 11.55682 
9.901701 
1 1 1 22  2   6  o 80.56718 4.831200  1397.202       161.1382 1453.578       
213.6253 1322.783       245.4405 82.60140 6.160079 78.53296 7.444153 4.068443 
9.662400 
1 1 1 22  2   7  o 101.0014 4.618379  2126.206       187.3588 2007.186       
230.5158 2357.876       321.6075 97.15413 5.651459 104.8487 7.306074 -7.694588 
9.236758 
1 1 1 22  2   8  o 159.9014 5.693672  5480.000       379.1107 5791.577       
580.2062 5247.869       500.8021 163.6255 8.446029 156.1774 7.637813 7.448090 
11.38734 
1 1 1 22  2   9  o 61.43869 6.017893  822.1987       154.3173 771.2390       
226.0310 866.6896       211.1985 59.52063 9.045272 63.35675 7.939974 -3.836117 
12.03579 
1 1 1 22  2   10 o 61.02094 6.810750  811.3699       163.3215 1207.333       
249.9148 516.2088       215.7714 74.70238 7.968537 47.33950 11.04752 27.36288 
13.62150 
1 1 1 22  2   11 f 122.3403 5.561476  3229.056       285.0511 2981.024       
389.7952 3514.170       417.9190 117.2862 7.916088 127.3944 7.813810 -10.10818 
11.12295 
1 1 1 22  2   12 o 32.23280 7.551951  106.6584       146.1070 458.7642       
224.0907 -153.7038      192.6975 44.26954 11.82785 20.19606 9.393074 24.07348 
15.10390 
1 1 1 22  2   13 o 100.8869 5.025760  2200.588       208.0838 2201.216       
267.7793 2199.631       330.6005 101.2186 6.301411 100.5553 7.831045 0.6633072 
10.05152 
1 1 1 22  2   14 o 23.12793 7.020045  -5.781824      120.0311 -52.81040      
152.7035 70.25565       194.1699 19.85988 8.886764 26.39598 10.86966 -6.536102 
14.04009 
1 1 1 22  2   15 o 49.24259 7.419043  553.0792       153.4008 350.2435       
207.8509 795.7351       227.3396 38.62177 11.76210 59.86341 9.045544 -21.24163 
14.83809 
1 1 1 22  2   16 o 49.82886 8.802011  627.7195       186.1889 458.2480       
291.4240 744.6067       242.0252 43.25649 14.04687 56.40123 10.61071 -13.14473 
17.60402 
1 1 1 22  2   17 o 61.79462 7.859446  1040.285       189.2244 396.1932       
290.0175 1517.723       249.6943 40.42928 13.99769 83.15996 7.151802 -42.73067 
15.71889 
1 1 1 22  2   18 o 50.11310 8.069924  626.6329       164.7451 686.6447       
215.1048 541.4863       256.2214 53.97503 9.858552 46.25116 12.77903 7.723873 
16.13985 
1 1 1 22  2   19 o 32.85645 8.874252  182.4062       184.2004 -13.50530      
252.2648 406.1605       269.5954 25.89780 11.50975 39.81509 13.51055 -13.91729 
17.74850 
1 1 1 22  2   20 o 53.95162 8.362034  760.0979       200.9278 1182.875       
285.0221 342.4272       283.2956 70.95625 9.567729 36.94700 13.71689 34.00924 
16.72407 
1 1 1 22  2   21 o 32.27932 9.050440  216.3266       186.1152 332.2188       
270.5677 112.2408       256.4156 35.92900 13.39199 28.62963 12.17770 7.299372 
18.10088 
1 1 1 22  2   22 o 28.05635 8.305152  59.59541       181.6142 300.8186       
255.1634 -188.0786      258.5527 34.14280 12.93979 21.96989 10.41460 12.17291 
16.61030 
1 1 1 22  2   23 o 49.14676 8.690823  659.3785       175.3990 728.8762       
283.3887 616.2236       223.3123 50.23407 13.24640 48.05944 11.25409 2.174637 
17.38165 
1 1 1 22  2   24 o 35.25620 9.391866  357.4443       192.9760 484.3276       
283.2771 247.5741       263.6023 39.27098 13.81113 31.24143 12.73112 8.029554 
18.78373 
1 1 1 22  2   25 o 32.50639 9.302244  308.9555       197.3345 302.8363       
280.5021 314.9515       277.6656 32.31950 13.14545 32.69329 13.16527 
-0.3737946     18.60449 
1 1 1 22  2   26 o 31.88360 9.123759  300.0373       194.4677 439.7002       
280.9160 171.5159       269.4782 35.83871 13.57868 27.92848 12.18981 7.910229 
18.24752 
1 1 1 22  2   27 o 43.41886 11.21005  746.9982       245.6641 1166.549       
461.7926 581.3997       290.1233 47.78461 17.54970 39.05311 13.95240 8.731499 
22.42011 
1 1 1 22  2   28 o 18.99725 9.354986  -235.2301      259.3011 0.000000       
0.000000 -235.2301      259.3011 ?        ?        18.99725 9.354986 ? ? 
1 1 1 22  2   29 o 20.98481 7.181044  -97.89361      202.1708 -409.5648      
342.9683 68.07698       250.2772 19.35002 9.703445 22.61961 10.58833 -3.269590 
14.36209 
1 1 1 22  3   0  o 49.29112 6.189682  519.8307       121.9728 590.2487       
200.4585 478.4325       153.7000 51.37245 9.649555 47.20980 7.754658 4.162651 
12.37936 
1 1 1 22  3   1  o 49.58516 6.701975  541.6722       136.2365 443.9486       
188.3254 648.9582       197.3245 44.29793 10.31017 54.87239 8.565411 -10.57446 
13.40395 
1 1 1 22  3   2  o 157.4437 6.208560  5276.099       395.2846 5090.200       
492.8069 5611.476       661.9204 154.1296 7.615733 160.7578 9.807419 -6.628204 
12.41712 
1 1 1 22  3   3  o 85.87338 4.623457  1546.567       161.0615 1479.001       
201.2486 1666.944       268.6216 83.45205 5.744032 88.29471 7.246484 -4.842659 
9.246915 
1 1 1 22  3   4  o 41.42402 7.424403  377.4324       133.4060 546.0069       
198.2148 237.8383       180.3738 49.33970 9.917724 33.50834 11.05105 15.83136 
14.84881 
1 1 1 22  3   5  o 66.45255 5.704693  933.6785       156.9609 741.0316       
209.2780 1181.385       237.3073 58.65688 8.498174 74.24822 7.612828 -15.59134 
11.40939 
1 1 1 22  3   6  o 49.21531 7.240542  546.3859       144.5692 538.0833       
210.3954 553.8124       198.9850 48.74895 10.57703 49.68166 9.890813 
-0.9327087     14.48108 
1 1 1 22  3   7  o 34.10321 8.148352  243.2117       140.1428 185.4483       
207.4979 291.6617       190.0352 31.87541 11.75820 36.33101 11.28393 -4.455601 
16.29670 
1 1 1 22  3   8  f 51.92172 7.103131  601.0499       148.4861 657.6450       
224.6305 557.1293       197.8851 54.05225 10.26969 49.79119 9.815877 4.261059 
14.20626 
1 1 1 22  3   9  o 23.86345 7.198170  6.665213       128.0623 48.58039       
176.0037 -40.49059      186.6826 24.96944 10.32317 22.75746 10.03428 2.211983 
14.39634 
1 1 1 22  3   10 o 90.92853 5.147307  1784.069       193.8019 1824.262       
255.7190 1729.830       297.0576 92.32526 6.597259 89.53180 7.902864 2.793457 
10.29461 
1 1 1 22  3   11 o 73.88991 5.648993  1178.072       174.8953 1286.137       
254.1021 1080.791       241.0893 77.14012 7.846013 70.63970 8.129243 6.500420 
11.29799 
1 1 1 22  3   12 o 81.70007 5.216136  1456.432       174.4938 1361.188       
273.6607 1521.686       226.5140 79.14864 8.235502 84.25152 6.403810 -5.102882 
10.43227 
1 1 1 22  3   13 f 57.10471 6.710023  731.7021       156.3116 660.7018       
224.7582 798.2119       217.5346 53.76686 10.32522 60.44257 8.572479 -6.675701 
13.42005 
1 1 1 22  3   14 o 69.18788 5.935994  1065.500       168.6328 1168.993       
224.3322 931.0410       255.7003 73.46882 7.272935 64.90694 9.383418 8.561874 
11.87199 
1 1 1 22  3   15 o 75.84927 5.240065  1232.939       165.2175 1128.555       
215.9825 1380.180       256.5170 72.13260 7.131944 79.56595 7.679095 -7.433350 
10.48013 
1 1 1 22  3   16 o 32.65749 8.157621  61.46966       145.1876 509.9834       
280.0479 -103.3925      169.7872 45.67064 13.60198 19.64434 9.009622 26.02629 
16.31524 
1 1 1 22  3   17 o 38.89445 8.605096  329.9787       185.8557 -5.154132      
276.8564 604.9031       250.7568 27.87453 12.25918 49.91437 12.07904 -22.03985 
17.21019 
1 1 1 22  3   18 o 37.68335 8.883922  278.7627       188.7027 587.7864       
275.2216 4.611686       259.2278 48.27214 13.20356 27.09455 11.88959 21.17759 
17.76784 
1 1 1 22  3   19 o 37.78136 9.285470  341.2502       184.4803 236.1606       
259.5413 448.5603       262.2691 33.62534 12.96449 41.93738 13.29669 -8.312046 
18.57094 
1 1 1 22  3   20 o 27.32602 8.244980  63.25578       165.0905 128.2375       
255.5978 16.74093       216.2506 29.70038 12.36941 24.95166 10.90489 4.748720 
16.48996 
1 1 1 22  3   21 o 63.13275 7.596892  978.7569       195.9927 913.8074       
282.7407 1038.833       271.9267 60.10445 11.61948 66.16106 9.789723 -6.056606 
15.19378 
1 1 1 22  3   22 o 45.36027 9.015134  563.5991       184.9868 719.4579       
261.9294 408.4963       261.2935 52.10561 12.17984 38.61493 13.29443 13.49068 
18.03027 
1 1 1 22  3   23 o 34.10815 8.610147  176.0717       196.1650 -229.0606      
270.1082 628.2406       285.3578 21.77201 10.42481 46.44429 13.70627 -24.67228 
17.22029 
1 1 1 22  3   24 o 30.11063 8.686777  172.1074       172.4105 354.5641       
279.3506 59.84412       219.1233 35.16030 13.47652 25.06097 10.96466 10.09933 
17.37355 
1 1 1 22  3   25 o 29.37370 8.756862  163.3886       192.1604 332.9195       
276.0681 4.051621       267.6394 33.72968 13.28691 25.01771 11.41002 8.711962 
17.51372 
1 1 1 22  3   26 o 35.10540 9.257030  341.2155       199.5589 655.7785       
301.2532 95.24768       266.3894 43.79380 14.28179 26.41699 11.78138 17.37681 
18.51406 
1 1 1 22  3   27 o 27.13316 8.496133  149.3669       191.6091 115.2647       
264.9486 186.7590       277.4348 26.19675 11.71449 28.06958 12.30886 -1.872829 
16.99227 
1 1 1 22  3   28 o 28.92662 8.739355  264.4160       190.2327 359.0029       
273.7882 176.1306       264.5108 31.32175 12.90418 26.53149 11.78929 4.790258 
17.47871 
1 1 1 22  3   29 f 26.13091 8.507495  213.5392       215.7136 234.8664       
322.2417 196.2220       290.3717 26.52566 12.26359 25.73615 11.79467 0.7895145 
17.01499 
1 1 1 22  4   0  o 20.83002 6.591927  -75.78573      120.5749 -147.2893      
174.3330 -10.21488      166.9441 19.22440 8.938506 22.43565 9.691083 -3.211246 
13.18385 
1 1 1 22  4   1  o 50.59126 5.981895  567.0483       121.8405 617.9387       
163.2619 503.0756       183.0474 53.76220 7.233174 47.42033 9.529611 6.341869 
11.96379 
1 1 1 22  4   2  o 56.05865 5.968810  678.0215       139.9755 623.9719       
200.1956 729.7174       195.7883 53.79691 8.863768 58.32038 7.996272 -4.523472 
11.93762 
1 1 1 22  4   3  o 103.0725 4.605693  2227.803       196.2019 2453.789       
311.3340 2078.927       252.6958 107.2492 6.914386 98.89592 6.086123 8.353256 
9.211386 
1 1 1 22  4   4  o 108.6923 5.103700  2511.945       232.0755 2236.908       
317.4403 2827.729       340.1431 102.2848 7.392171 115.0999 7.038950 -12.81508 
10.20740 
1 1 1 22  4   5  o 42.13924 7.654674  399.1485       136.3144 454.7474       
200.5283 351.3852       185.8613 44.79633 10.77748 39.48214 10.87299 5.314182 
15.30935 
1 1 1 22  4   6  o 36.73958 7.275326  271.6347       122.9429 133.4881       
159.7710 472.1835       192.5032 27.74372 10.30092 45.73545 10.27680 -17.99173 
14.55065 
1 1 1 22  4   7  o 52.66631 6.677906  625.0327       138.2609 557.3372       
223.8459 666.7892       175.8050 49.53674 11.04775 55.79588 7.504991 -6.259132 
13.35581 
1 1 1 22  4   8  o 52.70178 6.909607  616.0244       146.3704 671.2621       
221.9436 573.5078       194.7165 54.74131 10.03105 50.66225 9.505196 4.079063 
13.81921 
1 1 1 22  4   9  o 33.64810 8.035305  229.5526       143.9414 79.96058       
219.9103 341.6819       190.3930 28.42582 11.61336 38.87038 11.10830 -10.44456 
16.07061 
1 1 1 22  4   10 o 36.87640 8.068085  301.5189       147.5385 134.6631       
224.9550 427.4695       195.4453 30.49950 12.00049 43.25330 10.78723 -12.75380 
16.13617 
1 1 1 22  4   11 o 75.80689 5.512344  1244.587       174.0415 1065.082       
245.4573 1426.079       246.8119 70.14117 8.335355 81.47262 7.215650 -11.33145 
11.02469 
1 1 1 22  4   12 o 30.97821 7.387027  201.7804       114.3266 224.5755       
159.6862 177.8089       163.7551 32.14092 10.39416 29.81549 10.49924 2.325424 
14.77405 
1 1 1 22  4   13 o 51.67784 6.273753  593.9767       131.7586 575.5679       
198.4837 608.4799       176.1744 50.38209 9.730908 52.97359 7.921446 -2.591503 
12.54751 
1 1 1 22  4   14 o 52.24971 6.990804  621.9364       148.5059 788.8704       
211.2593 458.8657       208.8005 60.12661 8.368934 44.37281 11.20028 15.75379 
13.98161 
1 1 1 22  4   15 f 35.46771 8.447207  275.3435       148.1321 304.1874       
224.2365 253.0094       197.3168 36.86056 12.32168 34.07486 11.55843 2.785698 
16.89441 
1 1 1 22  4   16 o 45.19503 8.144012  454.8371       151.3815 363.1165       
188.8134 619.8973       253.2915 39.37142 11.00189 51.01865 12.01075 -11.64723 
16.28802 
1 1 1 22  4   17 o 32.70853 9.261234  164.2267       194.6446 99.39615       
270.4071 233.9388       280.4030 30.46932 12.70827 34.94775 13.47523 -4.478437 
18.52247 
1 1 1 22  4   18 o 26.11100 8.054321  7.488448       164.3905 -26.45865      
261.8850 29.56268       211.1797 26.61003 11.78912 25.61197 10.97748 0.9980545 
16.10864 
1 1 1 22  4   19 o 29.55269 8.026173  115.4805       162.3040 309.8253       
209.5464 -175.9467      256.6013 36.07361 11.91124 23.03176 10.76104 13.04184 
16.05235 
1 1 1 22  4   20 o 26.81425 8.270609  0.5188819      180.9939 131.2376       
253.7329 -134.9008      258.2550 29.94379 12.38819 23.68471 10.96105 6.259083 
16.54122 
1 1 1 22  4   21 o 61.35783 8.163068  993.3484       196.0598 1218.710       
255.5024 670.6170       305.7564 73.07498 8.328128 49.64069 14.04226 23.43429 
16.32614 
1 1 1 22  4   22 o 49.19793 8.870472  635.7737       192.6214 398.0588       
261.9798 915.5018       284.1893 38.56242 13.30844 59.83344 11.73143 -21.27102 
17.74094 
1 1 1 22  4   23 o 22.73678 7.561350  -200.0876      189.3128 -10.19454      
269.9992 -383.7251      265.5147 25.83290 11.67641 19.64067 9.610275 6.192236 
15.12270 
1 1 1 22  4   24 o 47.86725 9.640999  669.5303       202.8356 734.6080       
297.7519 613.1796       277.0693 49.98595 13.76041 45.74855 13.50728 4.237404 
19.28200 
1 1 1 22  4   25 o 39.34254 9.406317  466.0184       198.5875 266.1529       
285.8477 652.4802       276.0963 32.13646 13.20336 46.54864 13.40099 -14.41218 
18.81263 
1 1 1 22  4   26 o 27.15867 8.384304  93.96861       190.4645 -86.62133      
279.3544 250.8383       260.3624 23.53047 11.04535 30.78687 12.61691 -7.256395 
16.76861 
1 1 1 22  4   27 o 21.10168 7.071649  -117.2392      163.6585 -170.8327      
214.1298 -41.95640      253.7869 19.18643 9.209674 23.01692 10.73382 -3.830494 
14.14330 
1 1 1 22  4   28 o 30.97342 8.826476  281.0501       182.6593 486.0309       
275.8172 120.9247       243.7782 36.40487 13.53084 25.54196 11.33769 10.86292 
17.65295 
1 1 1 22  4   29 f 28.29963 8.238337  150.8176       181.6948 578.6702       
275.5266 -178.4150      241.6951 37.42498 13.57427 19.17427 9.339162 18.25071 
16.47667 
1 1 1 22  4   30 o 21.62142 7.407719  -60.16151      208.2550 37.29702       
282.7725 -175.6788      307.8582 22.68315 10.81425 20.55969 10.12666 2.123465 
14.81544 
1 1 1 22  5   0  o 23.58987 6.942031  -25.17571      124.0070 -174.7959      
171.8899 137.2151       179.0754 18.43481 8.655357 28.74492 10.85597 -10.31011 
13.88406 
1 1 1 22  5   1  o 127.7785 5.012469  3487.871       264.9268 3492.348       
346.5206 3481.572       411.0045 128.0666 6.444872 127.4905 7.678737 0.5760803 
10.02494 
1 1 1 22  5   2  o 35.10854 7.219264  256.8121       130.9116 28.03097       
192.9494 451.9587       178.2025 25.35439 10.66341 44.86269 9.734614 -19.50830 
14.43853 
1 1 1 22  5   3  f 52.50970 6.592812  620.0693       138.0101 846.9020       
196.7809 400.4894       193.6094 62.94319 7.446554 42.07621 10.88161 20.86698 
13.18562 
1 1 1 22  5   4  o 31.22346 7.023656  192.5672       117.2452 332.6062       
157.2260 17.14231       175.9728 38.47359 9.723793 23.97333 10.13779 14.50026 
14.04731 
1 1 1 22  5   5  o 74.62437 5.269261  1189.046       164.9747 1153.702       
228.2429 1227.711       238.7290 73.47397 7.399200 75.77479 7.504151 -2.300819 
10.53852 
1 1 1 22  5   6  o 103.3183 4.904503  2258.673       211.8824 2509.967       
316.7976 2055.279       285.0108 108.4714 6.956448 98.16517 6.915522 10.30627 
9.809007 
1 1 1 22  5   7  o 59.48193 6.431300  753.6992       154.0179 995.1539       
237.8746 579.4089       202.1003 68.04484 8.326721 50.91903 9.803681 17.12581 
12.86260 
1 1 1 22  5   8  o 31.01299 8.129518  164.6182       141.3572 222.6855       
210.5078 116.9316       190.7657 33.60123 11.89677 28.42474 11.08256 5.176485 
16.25904 
1 1 1 22  5   9  o 37.57303 7.527916  261.4803       127.1637 520.6115       
218.4993 128.7554       156.3747 47.81384 11.09046 27.33222 10.18232 20.48162 
15.05583 
1 1 1 22  5   10 o 53.83289 6.874649  652.0683       149.6572 783.0033       
208.3360 512.4651       215.1216 60.26889 8.233648 47.39690 11.01137 12.87198 
13.74930 
1 1 1 22  5   11 o 40.08617 8.116354  367.0522       153.8778 181.4601       
228.6575 520.6752       208.0338 32.37793 12.25563 47.79443 10.64426 -15.41650 
16.23271 
1 1 1 22  5   12 o 32.60418 7.755689  226.2316       125.5986 187.6196       
196.6812 252.8202       163.2111 31.43661 11.46220 33.77176 10.45087 -2.335150 
15.51138 
1 1 1 22  5   13 o 93.34879 4.448096  1824.129       171.3720 2087.270       
274.4684 1655.999       219.3920 98.64562 6.627285 88.05194 5.934755 10.59368 
8.896192 
1 1 1 22  5   14 o 31.07606 6.966001  32.40385       130.3200 479.7256       
216.5512 -221.5822      163.1757 45.39224 11.37545 16.75989 8.043616 28.63235 
13.93200 
1 1 1 22  5   15 o 54.87061 7.562903  689.1600       167.4744 737.2284       
249.3633 649.6628       226.0399 56.56253 10.88945 53.17870 10.49809 3.383831 
15.12581 
1 1 1 22  5   16 o 48.77150 8.371518  562.5754       172.2212 421.4839       
240.6788 710.6252       246.5422 42.22976 12.61632 55.31325 11.00717 -13.08350 
16.74304 
1 1 1 22  5   17 o 57.29080 8.671868  785.7394       201.9325 813.4050       
275.6819 753.7121       296.6172 58.76064 11.58749 55.82096 12.90486 2.939671 
17.34374 
1 1 1 22  5   18 o 33.25118 9.218289  197.2627       187.1737 174.6216       
255.8723 223.3237       274.5173 32.17181 12.75409 34.33055 13.31317 -2.158737 
18.43658 
1 1 1 22  5   19 o 67.54085 8.088064  1102.719       218.0316 1321.305       
300.2971 859.0287       317.0728 76.39967 9.362261 58.68202 13.19148 17.71765 
16.17613 
1 1 1 22  5   20 o 77.10907 7.240167  1315.718       228.4041 1086.838       
286.6153 1713.994       378.0838 68.56543 9.956697 85.65270 10.51400 -17.08727 
14.48033 
1 1 1 22  5   21 o 80.41603 6.702556  1482.475       224.8728 1297.714       
300.4870 1717.667       339.0256 74.70657 9.580496 86.12549 9.376093 -11.41892 
13.40511 
1 1 1 22  5   22 o 33.81889 9.091527  257.9247       184.2829 363.1368       
254.9447 142.8019       266.6820 37.49528 13.11034 30.14250 12.59930 7.352779 
18.18305 
1 1 1 22  5   23 o 26.39526 8.160914  50.68666       169.8338 56.93740       
222.0313 41.87224       263.6607 25.79946 11.16054 26.99106 11.90984 -1.191603 
16.32183 
1 1 1 22  5   24 o 27.68396 8.566594  46.90494       197.9653 -131.0856      
284.6535 213.6338       275.5012 23.94599 11.22400 31.42192 12.94480 -7.475927 
17.13319 
1 1 1 22  5   25 f 31.55945 9.081115  221.7651       191.9202 365.4099       
287.2421 105.9258       257.9473 35.58213 13.65762 27.53676 11.97230 8.045366 
18.16223 
1 1 1 22  5   26 o 56.58212 8.823198  913.7108       203.5526 947.1939       
300.1143 885.1855       277.0060 57.12470 12.82862 56.03954 12.11700 1.085167 
17.64640 
1 1 1 22  5   27 o 26.26351 7.801982  140.2565       146.2784 110.3071       
216.4946 165.4146       198.4226 25.59187 11.04496 26.93514 11.02237 -1.343271 
15.60396 
1 1 1 22  5   28 o 26.08671 8.220917  107.7050       180.8504 183.5027       
272.6226 48.13438       241.6852 27.98218 12.23655 24.19124 10.98184 3.790945 
16.44183 
1 1 1 22  5   29 o 26.50194 8.035441  108.1306       176.9207 401.5750       
256.7956 -157.0047      244.0947 33.07037 12.86560 19.93351 9.630665 13.13686 
16.07088 
1 1 1 22  5   30 f 38.24081 8.631777  533.3347       185.8116 934.0519       
276.0901 201.5545       251.2216 50.77492 12.91697 25.70671 11.45348 25.06822 
17.26355 
1 1 1 22  6   0  o 112.8240 4.163116  2701.405       196.9452 2778.935       
287.2883 2632.665       270.5132 114.3258 5.985421 111.3221 5.787992 3.003670 
8.326231 
1 1 1 22  6   1  o 104.2777 5.517704  2329.834       241.4183 2222.677       
338.8314 2440.325       344.0627 101.8086 7.927206 106.7468 7.677217 -4.938156 
11.03541 
1 1 1 22  6   2  o 93.72559 4.513624  1866.258       177.4802 1787.498       
245.6899 1952.208       256.6591 91.66034 6.384501 95.79084 6.381954 -4.130501 
9.027247 
1 1 1 22  6   3  o 33.59475 7.368089  220.1757       125.4092 388.6697       
182.6569 69.91656       172.4902 41.49869 10.47616 25.69081 10.36364 15.80788 
14.73618 
1 1 1 22  6   4  o 78.11710 4.476333  1295.833       146.2800 1316.950       
216.9814 1278.238       198.0540 78.66133 6.570256 77.57285 6.081281 1.088478 
8.952666 
1 1 1 22  6   5  o 185.3137 6.432643  7396.941       500.3176 7169.430       
698.6423 7636.444       716.8197 182.3758 9.124491 188.2515 9.069690 -5.875702 
12.86529 
1 1 1 22  6   6  o 175.8628 7.164736  6665.033       520.1949 6954.801       
820.0747 6469.938       672.8989 178.5683 10.93881 173.1573 9.256142 5.410995 
14.32947 
1 1 1 22  6   7  o 95.80438 5.033004  1954.429       202.1910 2068.458       
294.5981 1852.884       278.0053 98.43740 7.128381 93.17136 7.107089 5.266037 
10.06601 
1 1 1 22  6   8  o 101.3491 4.862238  2185.381       205.7158 2245.836       
309.5136 2137.542       275.3297 102.5253 7.190680 100.1729 6.546722 2.352348 
9.724477 
1 1 1 22  6   9  o 123.8750 4.982506  3277.270       256.9310 3266.857       
341.7331 3290.811       389.6807 123.7894 6.575437 123.9606 7.487664 
-0.1711807     9.965013 
1 1 1 22  6   10 o 52.68207 7.108050  608.5429       153.6559 713.3182       
229.5481 523.4819       206.8281 57.30934 9.540462 48.05480 10.53931 9.254543 
14.21610 
1 1 1 22  6   11 o 65.84882 5.888554  942.8296       161.0698 795.7893       
229.1834 1086.340       226.4160 60.58291 9.010609 71.11472 7.583482 -10.53181 
11.77711 
1 1 1 22  6   12 o 73.49316 4.878561  1181.944       147.1465 982.0497       
219.2099 1345.883       198.5184 67.52470 7.732477 79.46163 5.950649 -11.93694 
9.757122 
1 1 1 22  6   13 f 36.06133 6.634854  175.0097       129.2704 -102.7086      
164.3690 625.3062       209.2988 19.48681 8.906952 52.63584 9.836226 -33.14903 
13.26971 
1 1 1 22  6   14 o 85.70348 4.876069  1557.231       168.2797 1658.084       
284.6655 1503.055       208.6382 87.53983 7.745512 83.86714 5.925474 3.672684 
9.752138 
1 1 1 22  6   15 o 30.66506 8.489407  133.4826       163.5695 230.2280       
229.2946 33.23777       233.4046 33.99931 12.37811 27.33082 11.62164 6.668489 
16.97881 
1 1 1 22  6   16 o 48.99444 7.955901  554.0166       157.8473 522.9478       
203.4137 601.0421       250.2560 47.53316 10.47509 50.45572 11.97740 -2.922562 
15.91180 
1 1 1 22  6   17 o 104.0312 5.803021  2362.242       252.4275 2086.262       
345.7413 2677.293       369.4053 97.41767 8.453462 110.6448 7.952307 -13.22713 
11.60604 
1 1 1 22  6   18 o 118.2504 6.654368  3078.580       305.2209 3001.112       
366.1202 3255.103       552.6630 117.2051 7.440437 119.2957 11.03460 -2.090668 
13.30874 
1 1 1 22  6   19 o 26.20046 8.214729  -43.43127      182.5944 45.29426       
256.9471 -133.9476      259.5273 28.21003 12.10047 24.19090 11.11332 4.019129 
16.42946 
1 1 1 22  6   20 o 54.00845 8.018756  720.0037       176.0487 815.3546       
229.7595 584.4195       273.9778 59.99089 9.122401 48.02602 13.19028 11.96487 
16.03751 
1 1 1 22  6   21 o 62.20382 8.337066  946.6182       212.9844 848.6922       
298.6901 1047.914       303.7852 57.92962 12.63146 66.47801 10.88453 -8.548393 
16.67413 
1 1 1 22  6   22 o 26.70544 8.213930  -45.37687      186.9780 -299.8344      
264.2751 209.6661       264.5789 21.07564 10.14436 32.33525 12.92155 -11.25961 
16.42786 
1 1 1 22  6   23 f 60.61082 8.642804  948.2470       212.2850 821.9543       
290.9094 1092.102       310.4779 55.72755 12.71071 65.49409 11.71452 -9.766533 
17.28561 
1 1 1 22  6   24 o 67.33168 7.958775  1179.956       211.7245 930.6901       
314.8546 1385.714       286.0596 58.18622 13.19060 76.47713 8.909350 -18.29092 
15.91755 
1 1 1 22  6   25 o 59.71326 8.495296  931.2662       201.1801 1110.699       
327.2833 822.2902       255.0577 63.50171 12.72497 55.92481 11.25857 7.576897 
16.99059 
1 1 1 22  6   26 o 33.58641 8.815149  313.7544       162.6550 304.8971       
274.5645 318.5436       201.8965 33.24200 13.20121 33.93082 11.68569 
-0.6888161     17.63030 
1 1 1 22  6   27 o 31.00526 8.587312  261.4420       166.5891 326.7854       
222.9139 178.7841       250.7139 33.47618 12.20299 28.53435 12.08531 4.941832 
17.17462 
1 1 1 22  6   28 o 38.58977 9.184336  491.7799       188.0876 319.2125       
274.7006 644.0850       258.0699 32.11171 13.02702 45.06783 12.95009 -12.95612 
18.36867 
1 1 1 22  6   29 o 30.59262 8.595842  264.8474       176.5494 480.6138       
258.8878 77.26656       241.3870 36.74273 13.17464 24.44250 11.04458 12.30023 
17.19168 
1 1 1 22  6   30 o 22.07827 7.347382  -11.14091      178.7086 -120.2394      
259.3323 87.51720       246.6117 20.48540 9.902368 23.67113 10.85722 -3.185732 
14.69476 
1 1 1 22  6   31 o 39.08265 8.132936  519.4322       191.3596 1090.509       
283.2552 39.96509       259.5434 55.85258 12.40584 22.31272 10.52016 33.53986 
16.26587 
1 1 1 22  7   0  o 27.99515 7.479149  117.2208       122.4621 193.1708       
181.4202 53.64630       165.9828 31.34656 11.04976 24.64374 10.08234 6.702824 
14.95830 
1 1 1 22  7   1  o 19.05966 6.229663  -151.8649      121.3236 -278.5529      
182.8583 -52.23913      162.1560 17.30086 8.354543 20.81845 9.243183 -3.517586 
12.45933 
1 1 1 22  7   2  o 74.38606 4.929845  1179.919       153.2968 1176.571       
207.3242 1183.957       227.6933 74.32385 6.644202 74.44828 7.284784 
-0.1244278     9.859691 
1 1 1 22  7   3  o 96.49091 4.473931  1965.772       180.2328 2108.946       
272.7559 1854.805       240.1261 99.54797 6.526237 93.43385 6.121476 6.114120 
8.947862 
1 1 1 22  7   4  o 74.48628 5.242652  1186.702       163.7099 1142.167       
234.8365 1228.807       228.3417 73.08272 7.653708 75.88985 7.166754 -2.807137 
10.48530 
1 1 1 22  7   5  o 114.3021 5.210153  2769.674       248.9617 2575.516       
333.7848 3013.133       373.7680 109.8542 7.237208 118.7499 7.497039 -8.895767 
10.42031 
1 1 1 22  7   6  o 47.66474 7.119987  533.2231       143.8771 248.8370       
210.4745 782.6824       197.1266 34.84933 11.93759 60.48015 7.763427 -25.63082 
14.23997 
1 1 1 22  7   7  o 43.11172 7.787588  421.2383       141.0765 412.1329       
211.4982 428.5370       189.3575 42.65789 11.53313 43.56555 10.46772 
-0.9076576     15.57518 
1 1 1 22  7   8  o 38.70847 7.607909  334.5187       143.2521 102.2007       
213.3753 525.1563       193.2888 28.99630 11.59704 48.42063 9.850365 -19.42433 
15.21582 
1 1 1 22  7   9  o 48.95542 7.231218  516.9813       147.1273 753.2305       
224.2918 338.5484       194.9241 59.06357 9.045132 38.84727 11.28484 20.21630 
14.46244 
1 1 1 22  7   10 o 88.20096 5.222735  1635.864       191.6502 1934.873       
294.7675 1416.905       252.2426 95.05720 7.386109 81.34471 7.386016 13.71249 
10.44547 
1 1 1 22  7   11 o 39.06505 8.069323  344.2881       140.8055 367.1618       
198.5416 321.1418       199.7216 40.22107 11.29556 37.90902 11.52675 2.312046 
16.13865 
1 1 1 22  7   12 o 26.24048 7.229585  35.08152       122.0145 -87.32163      
156.4410 225.1744       194.9563 19.34373 8.795648 33.13724 11.47624 -13.79351 
14.45917 
1 1 1 22  7   13 o 85.36000 4.652958  1548.592       165.0142 1633.778       
254.9710 1487.196       216.4602 87.26838 6.959131 83.45163 6.178234 3.816750 
9.305916 
1 1 1 22  7   14 o 39.81123 8.393951  358.4858       149.6877 399.9908       
228.8153 327.4348       197.9122 41.64906 12.26784 37.97340 11.46009 3.675655 
16.78790 
1 1 1 22  7   15 o 28.28677 7.765498  124.6108       132.3257 149.7775       
183.9512 97.62199       190.4940 29.19425 11.00950 27.37928 10.95458 1.814972 
15.53100 
1 1 1 22  7   16 o 26.55677 8.005349  11.30958       160.7969 -81.90849      
228.5542 102.6699       226.2653 24.00557 10.80241 29.10797 11.81738 -5.102396 
16.01070 
1 1 1 22  7   17 o 84.58341 5.498159  1558.762       195.1709 1501.261       
274.1717 1617.836       277.8927 82.96372 7.871462 86.20310 7.678482 -3.239380 
10.99632 
1 1 1 22  7   18 o 32.95855 9.168876  184.3787       185.9432 168.0403       
260.0073 201.4818       266.0226 32.31316 12.84204 33.60394 13.09027 -1.290779 
18.33775 
1 1 1 22  7   19 o 57.87537 7.799190  766.2977       179.2215 674.8667       
228.3780 912.8722       289.1590 53.69443 10.50552 62.05630 11.53011 -8.361874 
15.59838 
1 1 1 22  7   20 o 62.17072 7.505353  886.6400       190.1357 1065.663       
290.8422 753.0258       251.2637 68.16161 10.16339 56.17982 11.04657 11.98178 
15.01071 
1 1 1 22  7   21 o 43.82421 8.589807  493.3311       169.9889 337.6085       
257.9812 612.8221       225.9850 37.44017 13.17876 50.20826 11.02086 -12.76809 
17.17961 
1 1 1 22  7   22 o 52.28603 8.441907  743.0975       192.4828 392.8855       
301.9432 982.8464       249.8262 39.27197 14.21346 65.30009 9.112661 -26.02811 
16.88381 
1 1 1 22  7   23 o 24.26971 7.836421  -90.82331      177.5656 19.54483       
271.0393 -173.8099      235.0252 27.08813 11.99812 21.45129 10.08380 5.636843 
15.67284 
1 1 1 22  7   24 o 35.19910 9.323153  296.2905       184.0586 437.8311       
294.6459 205.7129       235.7058 39.53490 14.06710 30.86330 12.23934 8.671606 
18.64631 
1 1 1 22  7   25 o 41.67953 9.335824  494.5521       182.1325 519.5483       
273.7383 474.6964       243.9724 42.27724 13.60261 41.08182 12.79060 1.195415 
18.67165 
1 1 1 22  7   26 o 29.90110 8.453032  208.5294       162.5089 254.3306       
218.8279 152.2088       242.6600 31.43149 11.96233 28.37071 11.94645 3.060774 
16.90606 
1 1 1 22  7   27 o 56.08085 9.014848  912.0471       210.4368 1178.575       
309.2728 682.2683       287.1610 65.43876 11.67739 46.72295 13.73712 18.71581 
18.02970 
1 1 1 22  7   28 o 30.43401 8.801097  253.9398       178.1191 260.5983       
265.1143 248.4612       240.4804 30.69868 12.67947 30.16934 12.20935 0.5293465 
17.60219 
1 1 1 22  7   29 o 23.02178 7.436546  -172.9547      181.5906 -597.6822      
255.2678 262.1794       258.3762 16.16683 8.153159 29.87673 12.43925 -13.70990 
14.87309 
1 1 1 22  7   30 o 44.65945 9.336490  729.8610       199.2023 944.8506       
282.7177 517.8959       280.7220 53.22607 12.79149 36.09284 13.60360 17.13323 
18.67298 
1 1 1 22  7   31 o 20.88174 7.169453  -101.5994      198.0069 -118.5578      
278.3167 -84.21843      281.7631 20.63482 10.04540 21.12867 10.23202 
-0.4938526     14.33891 
1 1 1 22  8   0  o 71.12014 4.738720  1074.451       141.1516 985.0424       
192.7050 1177.949       207.3336 67.93284 6.756696 74.30744 6.645972 -6.374603 
9.477441 
1 1 1 22  8   1  o 87.99413 4.874146  1652.015       179.5011 1647.541       
244.2755 1657.266       264.6529 87.92097 6.617723 88.06728 7.157859 
-0.1463089     9.748292 
1 1 1 22  8   2  o 87.43453 4.775288  1598.472       173.3015 1978.708       
264.8113 1313.629       229.1987 96.39771 6.543211 78.47135 6.957003 17.92636 
9.550575 
1 1 1 22  8   3  o 28.47862 7.582598  134.5122       123.5456 122.8264       
178.8643 145.1744       170.8508 28.15779 10.78621 28.79945 10.66024 
-0.6416569     15.16520 
1 1 1 22  8   4  o 94.76785 4.856775  1924.524       190.1389 1979.288       
249.8206 1849.120       293.1383 96.51646 6.165210 93.01925 7.506212 3.497215 
9.713550 
1 1 1 22  8   5  f 79.58472 4.859689  1372.673       158.0894 1233.425       
246.2085 1470.357       206.2150 75.93658 7.722768 83.23285 5.901284 -7.296265 
9.719378 
1 1 1 22  8   6  f 72.88002 5.448380  1142.484       164.1623 1096.391       
252.2803 1176.334       216.1957 71.46872 8.407915 74.29133 6.931545 -2.822609 
10.89676 
1 1 1 22  8   7  o 88.84590 5.243497  1690.222       195.1220 1603.079       
280.5791 1771.835       271.5315 86.55801 7.720922 91.13380 7.096788 -4.575790 
10.48699 
1 1 1 22  8   8  o 64.80975 6.189221  952.1054       155.9445 661.4171       
228.1179 1207.134       213.6682 54.35482 10.36833 75.26468 6.761916 -20.90986 
12.37844 
1 1 1 22  8   9  o 70.50461 5.723084  1017.338       163.5856 1490.326       
261.4569 713.0724       209.7013 83.46539 7.461304 57.54383 8.680076 25.92156 
11.44617 
1 1 1 22  8   10 o 54.25497 6.482985  645.4246       144.5473 642.6411       
208.8385 647.9844       200.2722 53.69284 9.611937 54.81710 8.702131 -1.124260 
12.96597 
1 1 1 22  8   11 o 44.47595 7.285519  425.8681       148.1459 159.7005       
201.9184 736.2001       218.0276 30.60526 11.53670 58.34664 8.900548 -27.74138 
14.57104 
1 1 1 22  8   12 f 61.46393 5.422688  779.1582       135.8352 684.5024       
169.1922 950.8088       227.8398 56.52238 7.129861 66.40548 8.172347 -9.883099 
10.84538 
1 1 1 22  8   13 o 30.87673 8.163387  155.4605       138.7286 235.2040       
230.8797 110.4012       173.5524 34.54117 12.43598 27.21228 10.57876 7.328884 
16.32677 
1 1 1 22  8   14 o 132.9244 5.448781  3810.518       302.3770 3781.735       
406.1970 3846.291       452.8481 132.5497 7.299263 133.2991 8.091825 
-0.7493896     10.89756 
1 1 1 22  8   15 o 47.91607 8.484167  535.5066       172.7202 668.6290       
247.6826 409.4897       240.9818 53.79263 11.32345 42.03951 12.63740 11.75312 
16.96833 
1 1 1 22  8   16 o 47.10016 8.514267  522.3019       169.1912 540.3209       
235.1776 502.9708       243.5890 48.01385 11.74706 46.18646 12.32792 1.827396 
17.02853 
1 1 1 22  8   17 o 93.84953 5.271838  1865.226       205.0880 2234.777       
322.3481 1613.902       265.8307 101.4220 7.570319 86.27709 7.338894 15.14487 
10.54368 
1 1 1 22  8   18 o 23.85706 7.707591  -125.8303      170.8449 -167.3375      
226.9892 -71.59016      259.4799 21.94721 10.20256 25.76691 11.55576 -3.819702 
15.41518 
1 1 1 22  8   19 o 28.35998 8.177912  69.57001       165.5704 -129.2183      
256.0468 212.4273       217.0577 24.24104 11.09532 32.47892 12.01694 -8.237879 
16.35582 
1 1 1 22  8   20 o 52.68683 8.484062  652.3049       179.7420 568.9277       
227.8240 789.7613       292.5221 48.62487 11.35472 56.74879 12.60902 -8.123913 
16.96812 
1 1 1 22  8   21 f 48.11823 9.067432  586.6148       187.2543 530.5731       
274.0219 635.7119       256.4825 45.62949 13.42030 50.60698 12.19709 -4.977489 
18.13486 
1 1 1 22  8   22 o 32.05797 7.917832  217.4082       158.9427 -175.8840      
286.6650 391.9813       190.9878 24.26327 11.35102 39.85268 11.04186 -15.58941 
15.83566 
1 1 1 22  8   23 o 52.57877 8.848559  703.4523       195.9817 965.4509       
294.8865 496.1769       262.2886 61.97582 11.75908 43.18171 13.22543 18.79411 
17.69712 
1 1 1 22  8   24 o 40.53782 9.012539  441.7597       170.7446 439.8666       
240.9785 443.6684       241.9632 40.46082 12.73489 40.61482 12.75642 
-0.1539993     18.02508 
1 1 1 22  8   25 f 44.87074 8.575974  502.4095       166.3252 787.0493       
274.4375 337.1630       209.1037 54.07573 12.35360 35.66574 11.89865 18.41000 
17.15195 
1 1 1 22  8   26 o 22.50999 7.439967  -151.9524      175.5943 28.03554       
263.2609 -296.1999      235.6779 25.96847 11.64307 19.05150 9.265605 6.916971 
14.87993 
1 1 1 22  8   27 o 29.21280 8.614539  153.1013       187.5052 -35.25355      
268.6383 332.0398       261.8372 24.43273 11.25825 33.99287 13.04197 -9.560141 
17.22908 
1 1 1 22  8   28 f 25.10901 7.740481  2.064727       176.3861 -356.6187      
274.0708 255.6712       230.4557 19.58436 9.635578 30.63365 12.11676 -11.04929 
15.48096 
1 1 1 22  8   29 o 24.83177 8.052277  28.40147       193.0674 89.67587       
257.2844 -50.57447      292.0931 25.71033 11.51916 23.95321 11.25458 1.757118 
16.10455 
1 1 1 22  8   30 o 25.43753 8.187662  101.3215       192.4746 101.5355       
263.3761 101.0761       281.9750 25.26568 11.46812 25.60937 11.68903 
-0.3436947     16.37532 
1 1 1 22  8   31 o 26.90804 8.427389  211.9330       182.6451 380.4897       
298.2055 110.7418       231.0543 30.11991 12.98054 23.69617 10.75124 6.423746 
16.85478 
1 1 1 22  9   0  o 104.8574 5.727667  2308.609       238.9061 2194.006       
291.1459 2544.834       418.0018 101.3355 6.843373 108.3793 9.186563 -7.043793 
11.45533 
1 1 1 22  9   1  o 32.06296 7.590409  213.8305       120.2250 227.3658       
174.4924 201.5981       165.8818 32.83131 10.86939 31.29461 10.59781 1.536695 
15.18082 
1 1 1 22  9   2  o 89.64413 4.462175  1709.828       167.6004 1856.473       
239.6570 1569.459       234.4734 93.44381 6.108868 85.84447 6.505825 7.599342 
8.924351 
1 1 1 22  9   3  o 39.31857 6.748560  343.4198       124.9982 111.1887       
181.0523 554.9279       172.7856 27.77153 10.80312 50.86560 8.091041 -23.09408 
13.49712 
1 1 1 22  9   4  o 95.64922 4.751405  1889.828       187.8938 2371.256       
296.7162 1567.540       242.7720 105.5160 6.697980 85.78242 6.740953 19.73361 
9.502810 
1 1 1 22  9   5  o 33.50134 8.021626  228.2670       133.7365 262.4704       
202.1734 201.6564       178.3271 35.26904 11.69981 31.73363 10.97726 3.535406 
16.04325 
1 1 1 22  9   6  o 73.61897 5.430586  1164.917       166.9497 1080.462       
242.8472 1240.601       229.8904 70.99049 8.148054 76.24746 7.181522 -5.256966 
10.86117 
1 1 1 22  9   7  o 33.50379 8.114411  229.4274       138.1744 185.6103       
207.3004 264.4575       185.3526 31.99988 11.75778 35.00769 11.18612 -3.007811 
16.22882 
1 1 1 22  9   8  o 25.62018 7.402401  58.95676       120.3476 74.81020       
208.8848 51.07959       147.2415 27.81309 11.33335 23.42726 9.525610 4.385828 
14.80480 
1 1 1 22  9   9  o 52.18227 6.564458  602.2679       139.5841 688.1392       
195.9031 513.7181       198.9352 56.60278 8.243746 47.76175 10.21808 8.841030 
13.12892 
1 1 1 22  9   10 o 48.74209 7.248931  536.1957       143.5273 510.4144       
207.1411 560.0038       199.0567 47.47698 10.65496 50.00721 9.831570 -2.530228 
14.49786 
1 1 1 22  9   11 o 34.99421 7.979947  254.6630       137.2592 160.7824       
189.3175 358.6991       199.2942 30.16365 11.21030 39.82478 11.35990 -9.661123 
15.95989 
1 1 1 22  9   12 o 34.25352 7.864501  254.0011       130.3976 288.0246       
175.6663 212.2462       194.6046 35.94379 10.78663 32.56324 11.44771 3.380543 
15.72900 
1 1 1 22  9   13 f 59.18694 7.369039  781.6926       178.4853 863.6419       
253.6892 701.3676       251.1623 62.90831 9.605392 55.46558 11.17799 7.442722 
14.73808 
1 1 1 22  9   14 o 75.30876 6.019093  1229.672       190.2065 1202.268       
263.8139 1259.339       274.4888 74.45654 8.439484 76.16098 8.584465 -1.704437 
12.03819 
1 1 1 22  9   15 o 26.33437 8.048721  -5.041450      164.0022 40.95261       
232.9774 -50.22084      230.9049 27.63361 11.67419 25.03513 11.08336 2.598475 
16.09744 
1 1 1 22  9   16 o 36.97270 8.259560  297.9610       158.8060 85.49312       
238.7858 466.4645       212.6505 29.19135 12.04296 44.75405 11.30701 -15.56270 
16.51912 
1 1 1 22  9   17 o 28.48932 8.150228  102.5571       150.2978 70.64036       
233.0411 125.2876       196.6652 28.37200 11.81326 28.60664 11.23173 
-0.2346363     16.30046 
1 1 1 22  9   18 o 47.97118 7.485677  536.3133       146.5439 548.3569       
200.8703 522.6096       214.2665 48.71603 10.15476 47.22635 11.00101 1.489681 
14.97135 
1 1 1 22  9   19 o 48.64890 8.802631  568.6099       180.4601 628.4685       
266.4459 517.8819       245.2838 50.97448 12.52356 46.32333 12.37359 4.651150 
17.60526 
1 1 1 22  9   20 o 45.87783 9.244517  514.8408       186.9403 597.7344       
276.7944 445.3192       253.4875 49.09618 13.15804 42.65948 12.98886 6.436703 
18.48903 
1 1 1 22  9   21 o 31.69203 8.605528  191.9408       162.7327 247.1238       
227.5237 134.1459       232.8461 33.69733 12.32412 29.68673 12.01401 4.010603 
17.21106 
1 1 1 22  9   22 o 25.79924 8.044683  -34.53496      178.6457 -214.2262      
269.7494 105.8483       238.4266 22.88818 10.77200 28.71031 11.95122 -5.822124 
16.08937 
1 1 1 22  9   23 f 56.01642 8.042326  864.5992       183.7403 433.2481       
289.9724 1153.980       237.5067 40.57399 14.00153 71.45885 7.916641 -30.88485 
16.08465 
1 1 1 22  9   24 o 31.33838 8.594305  180.9125       178.1680 -42.09863      
266.8001 360.4132       239.3624 25.44960 11.54916 37.22717 12.73048 -11.77757 
17.18861 
1 1 1 22  9   25 o 31.00711 8.908923  200.7164       181.7841 201.6843       
262.9892 199.8307       251.5550 31.15610 12.70962 30.85813 12.48764 0.2979717 
17.81785 
1 1 1 22  9   26 o 28.44748 8.519722  86.94656       187.4329 295.8097       
267.6574 -114.0315      262.5565 33.67599 13.12795 23.21897 10.86276 10.45702 
17.03944 
1 1 1 22  9   27 o 21.00285 7.155363  -255.3625      187.8585 -343.1789      
259.1717 -158.1480      272.6874 19.43044 9.504461 22.57526 10.69870 -3.144817 
14.31073 
1 1 1 22  9   28 o 57.61981 9.077580  980.9301       213.3264 1029.979       
286.1725 919.5853       320.0384 61.00543 11.59201 54.23420 13.97266 6.771229 
18.15516 
1 1 1 22  9   29 o 54.16122 9.335464  905.8432       211.5361 753.1931       
286.1932 1089.667       314.0591 48.25203 13.56508 60.07042 12.82934 -11.81839 
18.67093 
1 1 1 22  9   30 o 28.49277 8.720490  175.0319       198.0724 -9.592112      
265.8112 405.5416       297.0120 23.47000 10.96062 33.51555 13.56660 -10.04555 
17.44098 
1 1 1 22  9   31 o 20.74191 6.758095  5.288346       137.2900 -389.3939      
321.4098 93.37218       151.8390 19.61909 9.772129 21.86472 9.337712 -2.245628 
13.51619 
1 1 1 22  9   32 o 25.77605 7.854862  156.7375       128.8249 420.1369       
278.7214 85.18144       145.2734 30.69694 12.85885 20.85516 9.024716 9.841780 
15.70972 
1 1 1 22  10  0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  10  1  o 51.19758 8.261989  585.6868       166.1547 640.3004       
288.4598 558.5699       203.2610 52.56558 13.10230 49.82958 10.06835 2.736000 
16.52398 
1 1 1 22  10  2  o 48.06413 6.379773  507.9538       124.1686 812.4367       
185.6559 261.5289       167.0205 61.64846 7.173111 34.47979 10.55237 27.16867 
12.75955 
1 1 1 22  10  3  o 53.36345 6.268715  624.3444       133.4997 845.1795       
196.1424 433.7475       182.2196 62.85999 7.432213 43.86691 10.09700 18.99308 
12.53743 
1 1 1 22  10  4  o 54.23679 6.082035  628.4156       137.6864 671.7141       
208.5766 594.9759       183.2992 55.83545 8.897678 52.63812 8.294331 3.197330 
12.16407 
1 1 1 22  10  5  o 53.56348 6.538245  608.5249       139.1914 930.9833       
216.9657 382.9863       181.4532 65.93381 7.837976 41.19315 10.46712 24.74066 
13.07649 
1 1 1 22  10  6  o 74.13599 5.149039  1164.582       159.3179 1256.169       
241.6886 1094.203       211.8649 76.65324 7.510116 71.61874 7.046173 5.034492 
10.29808 
1 1 1 22  10  7  o 73.54637 5.385784  1138.068       164.5891 1394.613       
249.8887 941.4987       218.7377 80.79118 7.367221 66.30155 7.858164 14.48963 
10.77157 
1 1 1 22  10  8  o 59.33702 6.328968  758.6882       157.6448 768.7158       
225.2072 749.0540       220.7465 59.71579 8.982852 58.95826 8.918055 0.7575226 
12.65794 
1 1 1 22  10  9  o 68.96750 5.871302  994.5797       166.8908 769.7565       
218.4906 1309.475       258.5803 59.78259 8.705209 78.15241 7.880869 -18.36983 
11.74260 
1 1 1 22  10  10 o 17.94966 5.977868  -185.9233      118.8596 -102.9451      
153.1864 -311.4559      188.4156 18.73205 8.577243 17.16727 8.328897 1.564779 
11.95574 
1 1 1 22  10  11 o 57.98909 6.494137  747.3041       148.3282 1032.729       
215.8153 491.7718       204.2016 69.43002 7.403822 46.54816 10.67140 22.88186 
12.98827 
1 1 1 22  10  12 o 28.30417 8.206964  65.68655       158.3853 141.2649       
222.9028 -11.38552      225.0947 30.70003 11.97768 25.90831 11.22285 4.791716 
16.41393 
1 1 1 22  10  13 o 62.97504 7.023189  850.4805       176.6383 618.0900       
230.1407 1183.643       275.5576 52.08857 10.87825 73.86150 8.886186 -21.77294 
14.04638 
1 1 1 22  10  14 o 36.69277 9.136243  277.1545       174.9924 309.8608       
257.2713 248.9946       238.7218 38.12842 13.18544 35.25712 12.65021 2.871296 
18.27249 
1 1 1 22  10  15 o 39.41247 8.143978  295.7434       169.7109 -0.5504107     
232.0539 636.4515       248.8392 26.41327 11.41765 52.41167 11.61615 -25.99839 
16.28796 
1 1 1 22  10  16 o 40.40717 8.515688  379.7975       155.4787 337.2248       
237.5614 411.6971       205.6377 38.71344 12.68250 42.10089 11.36759 -3.387455 
17.03138 
1 1 1 22  10  17 o 26.51257 7.837618  10.50808       149.4309 163.2512       
231.0882 -99.25885      195.8992 31.40745 12.20752 21.61769 9.833078 9.789759 
15.67524 
1 1 1 22  10  18 o 26.63937 7.874652  19.39110       150.5497 163.1603       
230.3693 -87.78139      198.8994 31.25867 12.18053 22.02007 9.983751 9.238600 
15.74930 
1 1 1 22  10  19 f 107.5516 5.444057  2524.376       237.2932 2547.730       
390.0082 2510.650       299.0061 107.3815 8.650982 107.7217 6.611471 
-0.3401794     10.88811 
1 1 1 22  10  20 o 39.29468 8.935631  317.1957       182.1802 599.2645       
276.9062 101.9208       241.9090 49.26661 13.14124 29.32276 12.11155 19.94385 
17.87126 
1 1 1 22  10  21 o 28.02812 8.469874  43.61649       180.8836 -74.57328      
274.1825 134.6975       240.6931 26.00443 11.75957 30.05182 12.19294 -4.047386 
16.93975 
1 1 1 22  10  22 o 29.61248 8.752362  108.9322       179.5106 130.6619       
280.0359 93.77470       233.8845 30.97982 12.92760 28.24515 11.80222 2.734665 
17.50472 
1 1 1 22  10  23 o 60.80868 7.523101  865.5786       178.0758 966.1680       
307.5410 814.8428       218.4160 61.93032 12.26445 59.68703 8.716165 2.243282 
15.04620 
1 1 1 22  10  24 o 39.09308 8.981467  372.0627       168.9205 256.8527       
216.0323 553.3295       270.9771 32.92152 12.01195 45.26463 13.35590 -12.34311 
17.96293 
1 1 1 22  10  25 o 37.88687 8.935634  391.2092       171.9748 464.9435       
221.6590 279.7056       272.5805 41.81814 11.99708 33.95560 13.24584 7.862537 
17.87127 
1 1 1 22  10  26 o 28.58232 8.568335  115.0446       172.7628 45.24649       
216.8620 236.2904       285.8215 24.94371 10.91069 32.22093 13.21447 -7.277222 
17.13667 
1 1 1 22  10  27 o 30.77884 8.447362  236.3484       156.2767 242.6422       
217.0364 229.5717       225.2074 30.97479 11.87684 30.58290 12.01550 0.3918839 
16.89472 
1 1 1 22  10  28 o 28.63041 8.685618  143.0722       189.0264 34.68809       
255.0474 275.1632       281.5623 25.26442 11.38775 31.99641 13.11789 -6.731991 
17.37124 
1 1 1 22  10  29 o 41.74696 9.776593  581.6459       199.3064 577.9230       
271.1314 586.0225       293.9762 42.05756 13.53826 41.43636 14.10824 0.6212082 
19.55319 
1 1 1 22  10  30 o 26.52819 8.325649  38.63674       200.8298 -253.8699      
278.3576 356.1993       290.0347 20.47202 9.980415 32.58437 13.32880 -12.11234 
16.65130 
1 1 1 22  10  31 o 33.64536 9.012749  357.4035       148.6619 567.7853       
355.0592 312.6823       163.7018 35.29538 14.63150 31.99534 10.52795 3.300041 
18.02550 
1 1 1 22  10  32 f 31.17360 8.143536  348.6526       135.1108 367.2634       
313.8331 344.4184       149.6937 29.08361 12.89265 33.26359 9.952299 -4.179977 
16.28707 
1 1 1 22  11  0  o 56.08628 7.581234  730.3771       170.2371 563.1129       
260.0518 855.8077       225.1957 49.27089 12.53727 62.90168 8.527446 -13.63078 
15.16247 
1 1 1 22  11  1  o 101.0712 6.951656  2185.118       294.9814 0.000000       
0.000000 2185.118       294.9814 ?        ?        101.0712 6.951656 ? ? 
1 1 1 22  11  2  o 34.69552 7.962813  188.3172       171.3515 -236.5673      
267.5891 483.6393       223.0904 23.40589 10.95497 45.98515 11.55916 -22.57925 
15.92563 
1 1 1 22  11  3  o 105.6772 5.066197  2367.963       223.8203 2672.936       
333.4941 2118.010       301.9159 111.8344 7.102866 99.52003 7.225976 12.31442 
10.13239 
1 1 1 22  11  4  o 81.07915 4.618472  1409.729       154.4845 1346.297       
238.7836 1455.392       202.5974 79.37968 7.165001 82.77863 5.829571 -3.398956 
9.236944 
1 1 1 22  11  5  o 71.18770 5.168458  1080.053       154.1991 1134.378       
226.4284 1033.069       210.5746 72.83563 7.404710 69.53976 7.212635 3.295868 
10.33692 
1 1 1 22  11  6  f 78.36775 5.067553  1322.357       163.6870 1026.782       
229.2425 1629.806       233.8015 69.21656 7.888712 87.51895 6.363065 -18.30239 
10.13511 
1 1 1 22  11  7  o 49.04682 7.125274  535.9435       140.8006 574.5089       
213.8347 506.4247       187.0806 50.53196 10.43514 47.56169 9.704944 2.970268 
14.25055 
1 1 1 22  11  8  f 104.8157 4.561845  2305.434       198.7754 2814.677       
299.9994 1906.902       265.3927 115.0397 6.211462 94.59174 6.682775 20.44793 
9.123691 
1 1 1 22  11  9  o 199.5398 6.360629  8594.707       532.8448 8548.562       
754.1916 8640.698       752.9229 198.9851 9.027805 200.0944 8.962652 -1.109314 
12.72126 
1 1 1 22  11  10 o 84.72589 5.216347  1537.248       183.7350 1828.175       
265.4283 1269.591       254.5916 92.54343 6.831603 76.90836 7.884816 15.63507 
10.43269 
1 1 1 22  11  11 o 35.33999 7.762523  264.5898       130.3814 177.2536       
177.4776 366.9869       192.1721 30.45058 10.90926 40.22940 11.04604 -9.778818 
15.52505 
1 1 1 22  11  12 o 100.0435 5.352859  2166.230       220.2755 2055.096       
342.7103 2244.461       287.5359 97.59276 8.364321 102.4943 6.682105 -4.901581 
10.70572 
1 1 1 22  11  13 o 82.96092 5.822035  1511.691       194.1260 1584.098       
245.5020 1390.880       317.1143 86.02779 6.797313 79.89407 9.454147 6.133720 
11.64407 
1 1 1 22  11  14 f 42.12885 8.755807  403.5786       166.2706 329.5909       
228.6528 486.6052       242.2174 38.48912 12.43689 45.76859 12.32803 -7.279472 
17.51161 
1 1 1 22  11  15 o 41.21233 8.468430  392.3934       154.8780 376.7119       
232.1283 404.9754       207.9260 40.55563 12.44605 41.86904 11.48708 -1.313412 
16.93686 
1 1 1 22  11  16 o 48.46566 7.790012  522.2946       155.8539 745.8641       
242.2186 364.3339       203.5991 57.18763 10.47910 39.74370 11.52934 17.44392 
15.58002 
1 1 1 22  11  17 o 32.99969 8.172786  224.3611       135.0818 233.2836       
231.2137 219.7375       166.4412 34.12491 12.42921 31.87447 10.61567 2.250443 
16.34557 
1 1 1 22  11  18 o 34.58564 8.067228  248.5148       152.6069 33.49560       
230.7637 415.6392       203.4459 27.07638 11.53583 42.09490 11.28030 -15.01852 
16.13446 
1 1 1 22  11  19 o 104.0161 5.324364  2355.116       232.2677 2225.576       
320.6167 2498.186       336.9433 100.9958 7.561432 107.0365 7.498009 -6.040733 
10.64873 
1 1 1 22  11  20 o 35.20588 9.113477  249.8309       189.8982 26.70410       
301.8011 396.0664       244.3269 29.77513 12.94786 40.63662 12.82867 -10.86149 
18.22695 
1 1 1 22  11  21 o 47.99630 9.215805  572.2747       188.6728 591.9063       
292.4545 558.2790       246.9319 48.34791 13.75168 47.64469 12.27256 0.7032166 
18.43161 
1 1 1 22  11  22 f 35.72736 9.293152  269.7592       182.6322 401.5153       
287.3734 180.4893       236.5449 40.21156 13.93263 31.24315 12.30172 8.968410 
18.58630 
1 1 1 22  11  23 f 70.51918 6.836931  1162.393       196.7657 1118.240       
311.9870 1191.555       253.5516 68.52031 10.84522 72.51806 8.328009 -3.997749 
13.67386 
1 1 1 22  11  24 o 69.23785 8.185256  1197.786       224.8526 1595.273       
324.9470 832.6076       311.4608 82.58569 9.371924 55.89001 13.42240 26.69568 
16.37051 
1 1 1 22  11  25 o 46.98656 9.278892  610.7487       196.6856 764.6998       
274.0350 447.1771       282.4676 53.79897 12.38159 40.17417 13.82344 13.62480 
18.55778 
1 1 1 22  11  26 o 32.89678 9.295795  251.9086       195.9700 175.0271       
270.6233 336.6729       284.1586 30.31061 12.68228 35.48295 13.59437 -5.172338 
18.59159 
1 1 1 22  11  27 o 42.93964 8.982348  545.3405       185.8445 347.4591       
279.3876 702.3849       248.8949 35.13988 13.47489 50.73939 11.88098 -15.59951 
17.96470 
1 1 1 22  11  28 o 32.15937 9.074561  268.6176       192.7871 390.1549       
262.0621 125.2597       284.6165 36.04473 13.22222 28.27401 12.43236 7.770720 
18.14912 
1 1 1 22  11  29 o 25.43548 8.049907  45.80289       171.6347 -30.23938      
217.3128 171.8886       279.8278 22.19355 10.18468 28.67741 12.46901 -6.483862 
16.09981 
1 1 1 22  11  30 o 20.75696 6.864630  -21.87274      116.6681 -61.40553      
287.2230 -14.06127      127.6753 23.59973 11.10937 17.91418 8.066873 5.685551 
13.72926 
1 1 1 22  11  31 o 20.24233 6.879495  -84.18600      132.1505 -15.85778      
301.8222 -100.3916      146.9887 23.92174 11.29850 16.56293 7.851983 7.358810 
13.75899 
1 1 1 22  11  32 o 28.36068 8.238820  226.8259       125.5452 454.7768       
316.0166 184.1070       136.8042 31.51372 13.46520 25.20764 9.497416 6.306078 
16.47764 
1 1 1 22  12  0  o 114.6132 6.799358  2888.654       307.1482 2815.741       
530.3021 2925.461       376.7815 112.7049 11.20731 116.5214 7.702026 -3.816467 
13.59872 
1 1 1 22  12  1  o 32.01746 8.296700  180.1357       156.6361 -18.97492      
257.3490 297.3036       197.4147 27.40434 11.93713 36.63058 11.52588 -9.226238 
16.59340 
1 1 1 22  12  2  o 45.39269 8.816714  487.0233       169.2421 394.2492       
299.6036 530.5008       205.1001 42.40485 14.24264 48.38054 10.39640 -5.975689 
17.63343 
1 1 1 22  12  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  12  4  o 33.16784 8.778172  195.2629       160.8618 170.8566       
270.4009 208.6319       200.1269 33.68401 13.18193 32.65166 11.59578 1.032345 
17.55634 
1 1 1 22  12  5  o 70.59998 5.277994  1069.900       155.8625 969.4804       
221.0456 1169.197       219.8053 67.22707 7.831749 73.97289 7.077611 -6.745827 
10.55599 
1 1 1 22  12  6  o 104.4293 5.270813  2325.902       230.0036 2414.944       
344.8433 2254.548       308.6984 106.1457 7.738210 102.7130 7.158631 3.432678 
10.54163 
1 1 1 22  12  7  o 54.14579 6.599090  650.1203       143.8454 486.1054       
200.8026 823.0026       206.1593 46.35612 10.55143 61.93545 7.928385 -15.57932 
13.19818 
1 1 1 22  12  8  o 52.01443 6.334640  591.8466       135.4505 618.7838       
194.0369 566.2444       189.1677 53.59325 8.623733 50.43560 9.281264 3.157642 
12.66928 
1 1 1 22  12  9  o 79.55642 5.239086  1363.516       173.5206 1272.675       
257.1335 1439.476       235.1304 76.98979 7.955118 82.12305 6.819691 -5.133255 
10.47817 
1 1 1 22  12  10 o 87.70842 4.716624  1640.777       173.4933 1747.852       
248.2419 1538.539       242.5695 90.53384 6.531083 84.88301 6.806697 5.650826 
9.433249 
1 1 1 22  12  11 o 73.93457 5.727053  1168.018       172.4255 1211.826       
282.3344 1141.960       217.7498 74.82056 8.988019 73.04858 7.100144 1.771980 
11.45411 
1 1 1 22  12  12 o 26.28207 7.948920  10.91950       155.7692 3.636801       
214.1539 19.10123       226.9877 25.70213 11.03660 26.86201 11.44268 -1.159880 
15.89784 
1 1 1 22  12  13 o 48.48406 8.068545  546.0867       160.1590 496.6100       
248.9985 581.0013       209.1703 46.28830 12.51354 50.67983 10.18907 -4.391537 
16.13709 
1 1 1 22  12  14 o 55.36547 7.357787  694.4678       164.7326 686.3315       
232.1091 702.7254       233.8347 55.02639 10.42562 55.70456 10.38530 
-0.6781693     14.71557 
1 1 1 22  12  15 o 24.77403 7.610398  -12.06091      147.1763 -51.85908      
224.6272 17.87542       194.8184 24.64945 10.91971 24.89861 10.60342 
-0.2491665     15.22080 
1 1 1 22  12  16 o 24.92477 7.688141  -14.99783      150.4122 -35.82606      
229.7880 0.6163006      198.9574 25.29711 11.14613 24.55242 10.59216 0.7446918 
15.37628 
1 1 1 22  12  17 o 65.23047 6.149081  909.8891       166.3813 1115.208       
258.6275 764.9143       217.3233 71.38115 8.630029 59.07979 8.761700 12.30136 
12.29816 
1 1 1 22  12  18 o 89.42068 5.198091  1731.646       194.1414 1768.384       
290.8151 1702.112       260.7532 90.13940 7.684638 88.70197 7.001925 1.437431 
10.39618 
1 1 1 22  12  19 o 73.09604 5.811775  1084.227       169.9389 896.1500       
205.5994 1489.809       301.9212 64.07178 7.643216 82.12031 8.757177 -18.04853 
11.62355 
1 1 1 22  12  20 o 36.15164 7.834590  304.3310       160.0498 -98.38127      
278.2456 503.4607       195.6586 25.96597 11.78636 46.33731 10.32497 -20.37134 
15.66918 
1 1 1 22  12  21 o 32.51707 8.973263  190.1403       182.1416 65.51009       
286.7496 274.4359       235.8270 29.89960 12.80266 35.13453 12.57656 -5.234936 
17.94653 
1 1 1 22  12  22 o 41.12005 9.499008  422.7232       188.2450 437.8464       
274.0224 409.2080       259.0458 41.70166 13.62103 40.53844 13.24357 1.163216 
18.99802 
1 1 1 22  12  23 o 69.25935 7.421522  1131.242       215.5976 1129.992       
298.7987 1132.599       311.3932 69.39098 10.25644 69.12773 10.72946 0.2632446 
14.84304 
1 1 1 22  12  24 f 39.55538 9.084192  386.6165       196.5240 639.9581       
270.5801 103.7622       285.9065 49.29651 12.91803 29.81426 12.77555 19.48225 
18.16838 
1 1 1 22  12  25 f 26.09541 8.299817  -113.2748      202.6532 180.9958       
294.8781 -376.6563      278.9726 31.63601 13.23773 20.55481 10.01550 11.08120 
16.59963 
1 1 1 22  12  26 o 36.23755 8.783591  240.5732       171.3615 28.81073       
209.3780 670.1845       298.2253 24.32123 10.67893 48.15386 13.94871 -23.83263 
17.56718 
1 1 1 22  12  27 o 23.55101 7.604302  -40.19634      166.2340 -3.036632      
250.1973 -69.56464      222.4262 24.85077 11.23588 22.25126 10.24971 2.599514 
15.20860 
1 1 1 22  12  28 o 41.38686 8.571379  410.9326       198.4868 0.4580035      
262.7283 956.7278       302.9554 24.99288 11.37344 57.78084 12.82650 -32.78796 
17.14276 
1 1 1 22  12  29 o 51.14293 9.254610  791.1910       202.6376 977.0820       
296.3693 627.9963       277.6879 57.91947 12.54191 44.36639 13.61219 13.55309 
18.50922 
1 1 1 22  12  30 o 34.23789 8.312739  351.7758       135.2877 318.9875       
313.4884 359.2798       149.9720 32.03829 13.53881 36.43749 9.649202 -4.399200 
16.62548 
1 1 1 22  12  31 o 21.51611 7.293323  -153.0699      132.3051 235.7620       
310.8376 -239.1008      146.2109 28.92444 12.82541 14.10778 6.948322 14.81667 
14.58665 
1 1 1 22  12  32 o 22.56106 7.421410  39.22158       125.7433 205.1335       
319.3467 8.778663       136.7939 26.69985 12.29186 18.42227 8.319822 8.277582 
14.84282 
1 1 1 22  12  33 o 18.94368 6.380553  -48.72255      133.8373 -249.7524      
280.2681 10.66179       152.3279 19.08606 9.440990 18.80130 8.585659 0.2847614 
12.76111 
1 1 1 22  13  0  o 34.91129 8.808986  251.0060       159.4485 170.0761       
284.5403 288.0528       192.5147 33.85233 13.44037 35.97025 11.39076 -2.117924 
17.61797 
1 1 1 22  13  1  f 64.36690 7.321680  935.4311       183.4758 880.9286       
303.9456 966.6769       230.1354 61.87508 12.13297 66.85871 8.198728 -4.983635 
14.64336 
1 1 1 22  13  2  o 135.9612 6.447563  4015.298       367.9263 4151.729       
526.1454 3884.740       514.6963 138.2472 9.065058 133.6752 9.171096 4.571976 
12.89513 
1 1 1 22  13  3  o 113.7522 6.612901  2813.499       313.7021 2799.428       
470.5366 2824.758       420.8875 113.2642 9.895134 114.2401 8.775429 
-0.9759064     13.22580 
1 1 1 22  13  4  o 30.41617 11.60841  151.0504       206.5471 0.000000       
0.000000 151.0504       206.5471 ?        ?        30.41617 11.60841 ? ? 
1 1 1 22  13  5  o 43.44447 13.60633  426.0967       275.5402 426.0967       
275.5402 0.000000       0.000000 43.44447 13.60633 ?        ?        ? ? 
1 1 1 22  13  6  o 43.87927 8.348520  456.1384       160.7878 553.9489       
206.3809 305.0863       256.4721 49.56181 10.26466 38.19674 13.16920 11.36506 
16.69704 
1 1 1 22  13  7  o 33.22118 7.039852  121.2690       135.1083 -149.2433      
176.5174 503.9367       209.9448 19.33498 8.991622 47.10739 10.83461 -27.77241 
14.07970 
1 1 1 22  13  8  o 36.99912 7.727989  305.6628       128.4970 285.8106       
180.3947 326.1102       183.0794 35.92709 10.96097 38.07115 10.89699 -2.144058 
15.45598 
1 1 1 22  13  9  o 83.59489 4.804324  1505.061       166.0893 1807.084       
235.6393 1206.871       234.1393 92.14139 6.091358 75.04839 7.431114 17.09300 
9.608647 
1 1 1 22  13  10 o 73.96136 5.739655  1199.492       174.4775 961.7889       
253.5296 1413.363       240.4838 66.64238 9.061481 81.28033 7.047278 -14.63795 
11.47931 
1 1 1 22  13  11 o 92.29941 5.525535  1816.429       211.0761 1744.091       
273.9981 1922.022       331.0407 90.21489 7.234199 94.38393 8.354191 -4.169037 
11.05107 
1 1 1 22  13  12 o 44.35561 8.501447  449.4775       163.3262 375.6967       
225.2235 531.3120       237.1977 40.69975 12.21371 48.01147 11.82894 -7.311729 
17.00289 
1 1 1 22  13  13 o 133.5190 6.428920  3812.263       342.9245 3667.457       
421.0873 4097.420       590.9088 130.4889 7.686343 136.5491 10.30748 -6.060242 
12.85784 
1 1 1 22  13  14 o 96.10359 5.126800  1944.979       201.7459 2173.215       
330.3360 1809.208       254.7814 100.3077 7.844090 91.89946 6.603525 8.408272 
10.25360 
1 1 1 22  13  15 o 92.94577 5.426024  1876.450       205.8796 1825.169       
329.3737 1909.333       263.7543 91.56826 8.567715 94.32327 6.660422 -2.755013 
10.85205 
1 1 1 22  13  16 o 39.50665 8.477442  353.1440       151.9622 411.4950       
231.3688 308.8760       201.5232 42.04851 12.32038 36.96479 11.64801 5.083721 
16.95488 
1 1 1 22  13  17 o 74.17516 5.779240  1124.834       173.3036 1677.235       
284.8253 800.1041       218.3799 87.88957 7.719024 60.46076 8.603204 27.42881 
11.55848 
1 1 1 22  13  18 o 33.53053 8.030854  239.1154       135.3775 185.3477       
183.8627 302.7783       200.0675 30.60069 11.08974 36.46037 11.61878 -5.859682 
16.06171 
1 1 1 22  13  19 o 87.69083 5.431396  1671.606       199.4403 1787.937       
295.3676 1574.120       270.3874 90.43851 7.779121 84.94313 7.581922 5.495384 
10.86279 
1 1 1 22  13  20 o 53.73025 8.839388  681.2296       196.4026 903.1356       
300.6921 516.1157       259.3757 61.50246 12.07571 45.95803 12.91187 15.54444 
17.67878 
1 1 1 22  13  21 o 40.03937 8.359670  398.0175       175.1315 61.87959       
284.4284 603.2736       222.2605 29.73128 12.74132 50.34745 10.82566 -20.61618 
16.71934 
1 1 1 22  13  22 o 34.69948 9.044213  266.5885       177.6571 152.6635       
285.7458 338.3755       226.8261 31.94931 13.17627 37.44965 12.39263 -5.500332 
18.08843 
1 1 1 22  13  23 o 30.59664 8.575962  51.69502       192.3059 -279.7159      
270.5841 389.9416       273.3604 21.86616 10.46125 39.32713 13.59230 -17.46096 
17.15192 
1 1 1 22  13  24 o 49.32993 8.721651  592.5490       175.8177 477.4230       
219.3346 799.5043       294.0753 43.25657 11.76720 55.40329 12.87641 -12.14672 
17.44330 
1 1 1 22  13  25 o 32.02765 8.867970  223.7798       171.5001 258.6890       
263.7845 198.2194       225.7163 33.43533 13.03293 30.61997 12.02939 2.815363 
17.73594 
1 1 1 22  13  26 o 39.93000 9.649612  446.2158       194.4771 389.2551       
263.0792 514.8483       288.7779 37.62445 13.30177 42.23556 13.98295 -4.611115 
19.29922 
1 1 1 22  13  27 o 43.47146 8.867328  534.9395       189.3885 795.2374       
266.0117 267.3769       269.6981 54.22611 12.00350 32.71682 13.05504 21.50929 
17.73466 
1 1 1 22  13  28 o 36.74116 8.577657  319.1436       160.3279 647.4781       
268.9436 138.1303       199.6908 46.76412 13.15094 26.71820 11.01624 20.04591 
17.15531 
1 1 1 22  13  29 o 22.93591 7.124351  52.07764       112.8195 58.17243       
247.2836 50.47553       126.7835 25.40339 11.33958 20.46842 8.627826 4.934963 
14.24870 
1 1 1 22  13  30 o 33.17421 8.737040  284.6863       137.1171 477.4794       
312.6594 238.7775       152.5717 36.72421 14.21488 29.62421 10.16270 7.099998 
17.47408 
1 1 1 22  13  31 o 25.72053 7.529345  159.8721       132.0287 -55.38837      
308.9225 207.9779       146.0381 23.88994 11.35274 27.55112 9.893398 -3.661175 
15.05869 
1 1 1 22  13  32 o 24.23494 7.796307  60.16008       133.3303 338.4078       
313.0339 -1.505570      147.3660 29.73884 13.05756 18.73105 8.522306 11.00779 
15.59261 
1 1 1 22  13  33 o 20.64421 6.832308  9.437645       130.8307 95.46795       
252.7279 -22.05765      152.9151 23.26336 10.79554 18.02506 8.377233 5.238304 
13.66462 
1 1 1 22  14  0  o 69.84634 6.428483  1067.242       184.7658 1070.371       
291.3159 1065.136       238.9835 69.64459 9.963179 70.04810 8.126295 
-0.4035110     12.85697 
1 1 1 22  14  1  o 77.06362 6.145199  1292.783       194.4451 1289.945       
308.2341 1294.659       250.6005 76.70303 9.571702 77.42421 7.709501 
-0.7211761     12.29040 
1 1 1 22  14  2  o 56.07137 8.279069  694.5188       183.0664 850.6544       
306.5956 608.0114       228.2136 60.58496 12.48067 51.55779 10.88140 9.027168 
16.55814 
1 1 1 22  14  3  o 130.5098 6.123509  3688.349       333.1221 3723.849       
502.7077 3660.558       444.8009 130.8280 9.152415 130.1916 8.137736 0.6364136 
12.24702 
1 1 1 22  14  4  o 93.33160 6.801513  1910.116       264.7469 1713.711       
381.2529 2093.025       367.9204 88.42808 10.26937 98.23514 8.920889 -9.807060 
13.60303 
1 1 1 22  14  5  o 58.69820 8.575166  794.2203       201.4538 720.7287       
327.9103 838.7750       255.3186 55.37939 14.07039 62.01701 9.806020 -6.637623 
17.15033 
1 1 1 22  14  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  14  7  o 81.75777 6.402785  1390.680       212.8253 1233.299       
264.2157 1681.459       359.1392 75.63139 8.321038 87.88414 9.733598 -12.25275 
12.80557 
1 1 1 22  14  8  o 62.17204 5.783930  836.3281       149.9677 871.8475       
203.6181 794.2173       221.7074 63.72778 7.610421 60.61629 8.711881 3.111492 
11.56786 
1 1 1 22  14  9  o 80.62050 5.048865  1392.103       170.8093 1384.835       
244.9778 1398.978       238.2830 80.38908 7.258565 80.85193 7.019784 
-0.4628525     10.09773 
1 1 1 22  14  10 o 81.97368 5.279600  1466.422       178.4932 1232.438       
262.5433 1667.525       243.3975 75.58488 8.273458 88.36248 6.560988 -12.77760 
10.55920 
1 1 1 22  14  11 o 59.02835 6.865774  769.1420       165.9268 692.2977       
230.5595 851.7009       238.9787 55.42817 10.29313 62.62854 9.088829 -7.200363 
13.73155 
1 1 1 22  14  12 o 36.08325 8.067845  235.8099       159.0310 499.7792       
228.4698 -12.29898      221.4997 46.54681 11.69610 25.61970 11.11584 20.92711 
16.13569 
1 1 1 22  14  13 o 35.85419 8.527143  262.0421       156.1929 382.0265       
228.8706 157.4463       213.6902 40.90224 12.31982 30.80614 11.79283 10.09610 
17.05429 
1 1 1 22  14  14 o 40.34816 8.413785  374.0432       152.0485 358.9163       
225.6458 386.6242       205.7825 39.71624 12.28785 40.98009 11.49677 -1.263855 
16.82757 
1 1 1 22  14  15 o 23.52118 7.228247  -12.55341      132.7183 -0.4831001     
181.2693 -26.50004      194.8497 23.49072 10.12196 23.55164 10.32164 
-0.6091309E-01 14.45649 
1 1 1 22  14  16 o 39.41227 8.479948  347.4036       152.9622 440.8889       
233.4575 277.0831       202.4777 43.38197 12.26974 35.44257 11.70861 7.939392 
16.95990 
1 1 1 22  14  17 o 48.89502 7.880296  552.7568       157.3619 597.5051       
237.9175 517.9570       209.8098 50.55187 11.47067 47.23817 10.80833 3.313698 
15.76059 
1 1 1 22  14  18 o 29.15612 8.146607  112.5293       148.9475 205.4344       
224.2868 39.22960       199.2211 32.68256 12.19076 25.62968 10.80991 7.052879 
16.29321 
1 1 1 22  14  19 o 35.97778 8.305835  260.5397       152.6306 459.4606       
232.6903 110.3200       202.2095 43.83339 12.20204 28.12218 11.27199 15.71122 
16.61167 
1 1 1 22  14  20 o 45.71048 9.415671  516.9890       193.3776 439.1251       
287.0396 581.6983       261.6718 42.58234 13.94080 48.83863 12.65992 -6.256290 
18.83134 
1 1 1 22  14  21 o 44.29530 9.816070  491.4309       203.1897 464.0798       
297.4639 515.3558       278.2088 43.20283 14.19169 45.38777 13.56528 -2.184940 
19.63214 
1 1 1 22  14  22 o 26.17460 8.254065  -41.15007      186.3445 30.72373       
258.5833 -118.8004      268.7738 27.61740 11.99688 24.73181 11.33989 2.885588 
16.50813 
1 1 1 22  14  23 o 32.21108 9.198469  187.1084       192.2678 169.5296       
268.9252 205.4892       274.9918 31.56929 12.86092 32.85287 13.15462 -1.283583 
18.39694 
1 1 1 22  14  24 o 43.91998 9.191095  491.1700       179.2678 406.5612       
231.1011 619.0010       284.0615 39.72373 12.46486 48.11623 13.51045 -8.392498 
18.38219 
1 1 1 22  14  25 o 47.30216 8.863594  566.8495       192.3092 295.3892       
254.8672 925.7255       293.0441 34.67321 12.98298 59.93112 12.07044 -25.25791 
17.72719 
1 1 1 22  14  26 o 26.17369 8.170477  35.06802       176.5073 -4.842155      
252.3130 73.31802       247.0095 25.31306 11.37259 27.03432 11.73418 -1.721266 
16.34095 
1 1 1 22  14  27 o 29.20691 8.595766  163.2493       175.6943 113.3654       
255.4953 207.9999       241.9926 27.95877 12.03173 30.45504 12.27951 -2.496265 
17.19153 
1 1 1 22  14  28 o 27.52342 8.489921  93.63553       184.8155 198.4084       
278.4995 11.18681       247.0540 30.26972 12.77468 24.77712 11.18582 5.492601 
16.97984 
1 1 1 22  14  29 o 24.29014 7.182608  101.5293       122.8795 -239.6373      
306.1167 167.0619       134.1630 22.35093 10.79628 26.22935 9.476276 -3.878416 
14.36522 
1 1 1 22  14  30 o 25.29666 7.541811  112.9833       119.2837 184.5603       
249.1625 91.70074       135.8651 28.22949 12.00577 22.36384 9.131104 5.865652 
15.08362 
1 1 1 22  14  31 o 26.28181 7.733805  165.1355       126.9397 76.50957       
312.4250 182.6590       138.9236 26.21749 12.10363 26.34614 9.630634 
-0.1286545     15.46761 
1 1 1 22  14  32 o 21.32532 6.971997  18.29577       131.3896 -9.401035      
273.7674 26.58447       149.7649 22.90424 10.80067 19.74641 8.819324 3.157827 
13.94399 
1 1 1 22  14  33 o 25.35979 7.596562  193.9325       132.8891 195.7004       
259.8518 193.3063       154.6407 25.46494 11.48542 25.25464 9.945654 0.2102947 
15.19312 
1 1 1 22  15  0  o 102.8979 5.846881  2303.599       252.3697 2435.605       
364.4496 2181.984       349.8096 105.7532 8.208524 100.0426 8.328519 5.710587 
11.69376 
1 1 1 22  15  1  o 47.39855 8.078182  434.1012       157.1080 854.4755       
284.5395 249.7353       188.4364 60.87380 11.55177 33.92331 11.29534 26.95049 
16.15636 
1 1 1 22  15  2  o 70.69016 6.370028  1045.068       177.9739 1231.175       
319.2961 961.1848       214.3625 74.67923 10.18392 66.70109 7.654854 7.978142 
12.74006 
1 1 1 22  15  3  o 48.60815 7.698534  588.7830       164.7119 225.4538       
256.7295 842.9637       214.7321 34.83200 13.03272 62.38430 8.198656 -27.55230 
15.39707 
1 1 1 22  15  4  o 56.71199 8.396547  731.3341       184.8379 728.8149       
327.6457 732.5100       223.8616 55.45389 14.05004 57.97008 9.198072 -2.516190 
16.79309 
1 1 1 22  15  5  o 35.46840 8.617071  263.1120       155.6490 233.5613       
217.8980 293.9001       222.4133 34.09842 12.10067 36.83838 12.27149 -2.739967 
17.23414 
1 1 1 22  15  6  o 85.77353 6.369651  1513.181       219.8393 1321.573       
268.5735 1902.229       382.6995 78.23618 8.176673 93.31088 9.768923 -15.07470 
12.73930 
1 1 1 22  15  7  o 91.52730 6.022804  1713.563       223.9211 1440.744       
277.0511 2227.503       380.2578 81.73233 8.073969 101.3223 8.939112 -19.58994 
12.04561 
1 1 1 22  15  8  o 35.01001 12.61214  240.9042       237.4975 240.9042       
237.4975 0.000000       0.000000 35.01001 12.61214 ?        ?        ? ? 
1 1 1 22  15  9  o 66.82420 6.109805  973.8246       166.7376 934.5419       
265.4073 999.4374       214.3087 65.44830 9.659074 68.20009 7.484727 -2.751785 
12.21961 
1 1 1 22  15  10 o 29.63275 8.150124  128.3176       147.2768 183.6105       
207.3884 72.06266       209.1849 31.69764 11.74256 27.56785 11.30533 4.129791 
16.30025 
1 1 1 22  15  11 o 58.05047 7.475276  774.4850       173.6080 1247.061       
254.2441 361.6388       237.6343 76.02264 7.965793 40.07830 12.65168 35.94435 
14.95055 
1 1 1 22  15  12 o 91.34579 5.355590  1779.246       202.9757 1685.078       
264.6555 1913.755       316.3020 88.57707 7.116732 94.11452 8.005093 -5.537453 
10.71118 
1 1 1 22  15  13 o 38.29787 8.309284  316.8996       147.8185 438.3893       
226.6740 227.0076       194.9812 43.49728 12.02028 33.09845 11.47561 10.39883 
16.61857 
1 1 1 22  15  14 o 130.8704 5.715481  3734.485       311.6440 3493.504       
460.1105 3938.749       423.6108 126.6428 8.653717 135.0979 7.468605 -8.455116 
11.43096 
1 1 1 22  15  15 o 70.30779 5.816270  1064.885       170.6233 1165.543       
259.4735 988.2004       226.4744 73.13993 8.450054 67.47564 7.994535 5.664291 
11.63254 
1 1 1 22  15  16 o 50.10014 7.660998  574.9232       155.8232 642.4578       
233.9576 521.0804       208.8997 52.73784 10.93386 47.46243 10.73380 5.275406 
15.32200 
1 1 1 22  15  17 o 89.02728 5.170774  1696.403       191.8075 1886.505       
294.1766 1555.821       252.9753 93.23590 7.515296 84.81866 7.104080 8.417244 
10.34155 
1 1 1 22  15  18 o 62.22213 6.474379  853.4341       168.6651 899.2014       
249.9991 815.1985       228.5044 63.67881 9.351140 60.76545 8.956925 2.913364 
12.94876 
1 1 1 22  15  19 o 45.73507 7.316956  502.6150       137.7045 383.2375       
222.5676 576.6553       175.2811 40.23911 12.15481 51.23103 8.149353 -10.99191 
14.63391 
1 1 1 22  15  20 o 68.88887 7.497760  1079.719       216.1907 1123.160       
320.5923 1043.488       292.7772 69.99438 10.90965 67.78336 10.28810 2.211021 
14.99552 
1 1 1 22  15  21 o 27.49436 8.307563  -33.86953      187.1530 206.1307       
257.6441 -301.9765      272.3131 33.05220 12.88102 21.93653 10.49485 11.11567 
16.61513 
1 1 1 22  15  22 o 42.76237 9.500108  456.2398       196.9895 608.4092       
279.5519 306.1571       277.6284 48.85266 13.28251 36.67207 13.58614 12.18059 
19.00022 
1 1 1 22  15  23 o 49.26198 9.101027  634.1079       196.6046 803.8602       
271.8405 447.9338       284.6859 56.94102 11.77125 41.58293 13.88353 15.35809 
18.20205 
1 1 1 22  15  24 o 53.65052 8.047370  742.5332       188.1781 338.5363       
266.0776 1146.812       266.1704 36.86484 13.34260 70.43621 9.000878 -33.57137 
16.09474 
1 1 1 22  15  25 f 30.41450 8.700303  167.1521       176.0156 73.11313       
247.9526 262.6790       249.9063 27.41874 11.82664 33.41026 12.76369 -5.991524 
17.40061 
1 1 1 22  15  26 o 24.33110 7.557889  22.04123       150.3383 -92.72029      
248.7833 88.05535       188.6868 23.33142 10.78248 25.33078 10.59362 -1.999352 
15.11578 
1 1 1 22  15  27 o 37.34977 8.986066  389.5596       175.0950 266.5775       
256.2354 497.2909       239.8221 32.62431 12.81685 42.07524 12.59865 -9.450932 
17.97213 
1 1 1 22  15  28 o 37.33194 8.221048  397.1002       134.8241 316.9461       
305.5343 416.4820       150.2432 33.91188 13.74634 40.75200 9.021118 -6.840118 
16.44210 
1 1 1 22  15  29 o 31.05936 8.472410  220.4886       129.3722 370.6756       
301.4821 186.5904       143.2301 34.75074 13.82286 27.36798 9.800786 7.382759 
16.94482 
1 1 1 22  15  30 o 25.39485 7.861658  92.19878       130.2913 171.9594       
302.6458 74.05316       144.3532 28.78876 12.72417 22.00094 9.236783 6.787827 
15.72332 
1 1 1 22  15  31 o 26.79768 8.096863  40.74075       131.8621 476.5529       
302.3027 -61.66203      146.5373 35.96034 13.96543 17.63503 8.197779 18.32531 
16.19373 
1 1 1 22  15  32 o 22.00590 6.992725  54.09841       132.8567 -61.03798      
250.1169 99.35271       156.8074 21.54960 10.22857 22.46219 9.537780 
-0.9125900     13.98545 
1 1 1 22  15  33 o 28.15475 7.602163  277.7757       136.0132 128.0849       
257.1241 335.9364       160.2729 24.13863 11.07774 32.17087 10.41418 -8.032240 
15.20433 
1 1 1 22  16  0  f 33.09109 8.180737  232.1392       143.5709 123.9839       
234.6784 296.8309       181.4986 30.13958 12.11723 36.04261 10.99411 -5.903038 
16.36147 
1 1 1 22  16  1  o 87.76756 6.737768  1749.274       238.3515 1475.146       
374.1827 1936.454       309.1979 81.10155 10.98944 94.43356 7.798862 -13.33201 
13.47554 
1 1 1 22  16  2  o 34.18116 8.535798  237.1366       148.1057 263.1261       
248.9439 222.8978       184.2630 35.85167 12.91277 32.51065 11.16691 3.341015 
17.07160 
1 1 1 22  16  3  o 39.55071 8.855793  338.4458       153.8735 401.5124       
285.4158 312.6048       182.6980 42.02853 13.90131 37.07289 10.97514 4.955643 
17.71159 
1 1 1 22  16  4  o 65.83392 6.323886  928.1978       172.7953 762.1414       
228.7929 1148.677       263.6326 59.02416 9.232809 72.64367 8.644153 -13.61951 
12.64777 
1 1 1 22  16  5  o 27.26635 8.304885  -8.916837      175.9009 88.39238       
244.2883 -113.6946      253.4896 29.68032 12.20200 24.85239 11.26923 4.827929 
16.60977 
1 1 1 22  16  6  o 99.02295 5.809989  2128.307       240.7835 2290.346       
337.9899 1961.325       343.1062 103.0032 7.815808 95.04266 8.598666 7.960587 
11.61998 
1 1 1 22  16  7  o 77.95306 7.298089  1288.726       220.3203 1214.787       
261.8434 1467.993       407.7122 74.89589 8.327312 81.01024 11.98767 -6.114349 
14.59618 
1 1 1 22  16  8  o 84.70054 6.257516  1533.347       217.0998 1677.631       
353.7177 1446.144       274.9881 87.57983 9.619969 81.82125 8.005138 5.758575 
12.51503 
1 1 1 22  16  9  o 27.00974 10.88280  85.19971       189.8875 0.000000       
0.000000 85.19971       189.8875 ?        ?        27.00974 10.88280 ? ? 
1 1 1 22  16  10 o 26.49676 8.024909  -1.634107      161.4402 -78.71787      
223.5156 82.43883       233.4288 23.96208 10.73624 29.03144 11.93021 -5.069363 
16.04982 
1 1 1 22  16  11 o 56.28668 7.520308  715.7239       173.2578 789.1693       
241.0340 637.2063       249.2179 60.04033 9.562166 52.53304 11.60970 7.507282 
15.04062 
1 1 1 22  16  12 f 53.93233 7.425318  661.8143       162.0957 661.8150       
226.8153 661.8134       231.7398 53.97490 10.37962 53.88975 10.62097 
0.8514786E-01  14.85064 
1 1 1 22  16  13 o 85.37764 5.260601  1570.590       187.4157 1592.350       
281.6932 1553.307       251.0391 85.78584 7.821353 84.96945 7.037195 0.8163834 
10.52120 
1 1 1 22  16  14 o 51.17670 7.194608  574.3029       151.2417 866.7505       
231.3973 356.1963       199.8336 63.00312 8.748171 39.35027 11.42449 23.65286 
14.38922 
1 1 1 22  16  15 o 60.99055 6.533751  826.8436       161.3520 995.4292       
233.7889 673.5031       222.9678 67.61003 8.236332 54.37107 10.14507 13.23896 
13.06750 
1 1 1 22  16  16 o 31.88619 7.339028  82.06249       146.0955 471.8358       
219.7109 -226.8714      195.6042 44.85876 11.58758 18.91363 9.009626 25.94513 
14.67806 
1 1 1 22  16  17 o 41.36024 7.927580  407.8620       152.4374 195.5190       
227.3382 581.3254       205.4743 32.41501 12.23474 50.30547 10.08451 -17.89046 
15.85516 
1 1 1 22  16  18 o 21.57962 6.869541  -123.8738      127.3915 52.52510       
215.0651 -219.2197      158.1150 26.80928 11.26581 16.34996 7.864090 10.45932 
13.73908 
1 1 1 22  16  19 o 52.12826 7.558093  623.6841       158.9212 750.4355       
243.4982 529.6286       209.7547 56.80059 10.60495 47.45594 10.77191 9.344650 
15.11619 
1 1 1 22  16  20 o 23.67071 7.745169  -240.1422      188.4093 -460.0599      
258.6765 8.355509       274.9716 19.19791 9.418228 28.14352 12.29827 -8.945610 
15.49034 
1 1 1 22  16  21 o 72.24925 6.525136  1116.545       189.3384 1400.517       
330.7748 978.1583       230.9093 78.23338 10.07074 66.26514 8.299987 11.96824 
13.05027 
1 1 1 22  16  22 o 60.70467 7.599594  850.7499       187.5506 998.5364       
297.4931 753.2678       241.6140 65.24749 10.86011 56.16185 10.63359 9.085640 
15.19919 
1 1 1 22  16  23 o 38.28381 8.152246  288.7780       189.2712 700.4863       
258.9366 -183.5702      277.3510 52.88094 11.94425 23.68667 11.09826 29.19427 
16.30449 
1 1 1 22  16  24 o 31.46160 8.675502  169.1907       177.1051 350.4908       
253.2134 -4.444846      247.8032 37.19879 13.06012 25.72440 11.42325 11.47438 
17.35100 
1 1 1 22  16  25 f 51.49471 8.288567  679.1431       185.6395 977.3305       
270.0846 412.1170       255.5830 63.77431 10.08730 39.21511 13.15476 24.55919 
16.57713 
1 1 1 22  16  26 o 53.45531 8.324565  745.1241       182.2710 888.0713       
267.4755 621.1928       249.0500 58.87305 11.22457 48.03757 12.29644 10.83548 
16.64913 
1 1 1 22  16  27 o 28.82909 8.355168  100.8394       185.0948 -211.5484      
281.7686 337.9682       245.4922 22.47101 10.73255 35.18718 12.80811 -12.71617 
16.71034 
1 1 1 22  16  28 o 31.72417 7.301874  291.6595       129.1759 -123.9429      
312.4665 377.3297       141.8663 24.61363 11.58684 38.83471 8.889012 -14.22108 
14.60375 
1 1 1 22  16  29 o 35.09520 7.664175  378.5557       133.3345 121.0173       
302.4280 440.6927       148.5512 28.32375 12.59456 41.86664 8.737007 -13.54289 
15.32835 
1 1 1 22  16  30 o 30.30653 8.583954  196.8376       131.1044 425.4030       
320.9381 151.0558       143.6357 35.33353 14.18482 25.27954 9.670986 10.05399 
17.16791 
1 1 1 22  16  31 f 25.05013 7.709483  89.50989       131.6532 236.0164       
267.2284 42.55338       151.2871 29.21428 12.42926 20.88598 9.124578 8.328297 
15.41897 
1 1 1 22  16  32 f 28.38914 8.006360  163.2484       134.7887 485.9846       
258.0790 42.19434       158.0588 36.09576 13.13299 20.68251 9.161428 15.41325 
16.01272 
1 1 1 22  16  33 o 22.19242 7.201838  36.76528       131.5373 230.3055       
261.4426 -28.82984      152.2042 26.44691 11.74009 17.93794 8.344831 8.508965 
14.40368 
1 1 1 22  17  0  o 46.30807 8.346163  506.0492       153.9210 503.0801       
280.0804 507.3340       184.2363 45.63186 13.60528 46.98427 9.671096 -1.352406 
16.69233 
1 1 1 22  17  1  o 63.19212 7.218965  901.5874       180.6036 908.5291       
294.0909 897.3844       228.8376 62.42308 11.65472 63.96115 8.521814 -1.538074 
14.43793 
1 1 1 22  17  2  o 35.24686 8.546880  270.6356       156.0677 169.2730       
246.3744 338.5686       201.6958 32.16372 12.58355 38.33002 11.56940 -6.166302 
17.09376 
1 1 1 22  17  3  o 84.69650 5.405414  1557.225       191.5540 1406.596       
269.7753 1710.389       272.0353 80.43623 7.988616 88.95678 7.283955 -8.520546 
10.81083 
1 1 1 22  17  4  o 77.58442 5.617597  1305.804       182.7597 1321.347       
265.6642 1291.839       251.8141 77.96677 8.116049 77.20207 7.769127 0.7646942 
11.23519 
1 1 1 22  17  5  o 135.9285 6.613429  4039.712       376.6705 3795.745       
513.7282 4323.352       553.9251 131.5390 9.302503 140.3180 9.402831 -8.778992 
13.22686 
1 1 1 22  17  6  o 42.44980 9.552194  414.6452       190.9746 424.5986       
254.2847 401.7677       289.2363 42.78789 13.00555 42.11171 13.99405 0.6761818 
19.10439 
1 1 1 22  17  7  o 83.77843 6.682031  1558.811       230.1502 1662.676       
303.5503 1418.370       352.9758 87.52463 8.260787 80.03223 10.50512 7.492393 
13.36406 
1 1 1 22  17  8  o 43.58275 8.022784  446.4489       148.4397 377.2122       
229.8381 495.9951       194.4281 40.57404 12.37095 46.59146 10.21860 -6.017414 
16.04557 
1 1 1 22  17  9  o 72.51236 5.428154  1118.174       163.5820 1259.481       
254.3305 1018.471       213.6346 76.28796 7.940784 68.73676 7.402929 7.551201 
10.85631 
1 1 1 22  17  10 o 64.78770 7.201995  933.7840       189.9787 1096.510       
277.3122 789.8712       260.7894 70.76488 9.334097 58.81054 10.97040 11.95434 
14.40399 
1 1 1 22  17  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  17  12 o 68.29938 8.641125  1024.402       237.8429 1424.496       
377.7966 761.7187       306.1207 79.80653 11.27563 56.79223 13.09719 23.01430 
17.28225 
1 1 1 22  17  13 o 38.01308 7.733598  322.4125       144.7440 109.8323       
210.6092 512.6989       199.2598 28.76516 11.51453 47.26101 10.32713 -18.49585 
15.46720 
1 1 1 22  17  14 o 48.74946 7.353080  538.6616       146.0860 680.4401       
218.3062 423.6874       196.5898 54.75959 9.854767 42.73933 10.91580 12.02026 
14.70616 
1 1 1 22  17  15 o 28.58908 7.872045  113.3573       142.7226 -6.848828      
213.1700 211.0199       192.1440 25.08607 10.89487 32.09208 11.36566 -7.006001 
15.74409 
1 1 1 22  17  16 f 30.20277 7.466530  104.9586       147.4810 -218.0266      
219.9412 368.8285       198.7971 20.61866 9.710566 39.78688 11.34466 -19.16822 
14.93306 
1 1 1 22  17  17 o 45.60863 7.296564  478.3860       136.3465 421.0360       
183.9558 548.3008       203.1100 42.53397 10.37880 48.68329 10.25865 -6.149323 
14.59313 
1 1 1 22  17  18 o 43.40304 7.963302  456.5468       152.3597 289.3089       
226.6095 594.5141       205.8253 36.04792 12.38359 50.75816 10.01516 -14.71024 
15.92660 
1 1 1 22  17  19 o 23.28289 7.219169  -14.35732      128.3694 7.512100       
220.1967 -25.61641      157.9951 25.59282 11.09332 20.97297 9.241422 4.619852 
14.43834 
1 1 1 22  17  20 o 37.47278 9.465958  304.3484       197.5801 142.9149       
285.5521 452.6242       273.6676 32.06878 13.18957 42.87679 13.58134 -10.80801 
18.93192 
1 1 1 22  17  21 o 38.67393 9.332646  347.3007       193.1475 507.1520       
266.3673 170.0589       280.4825 44.92519 13.23738 32.42267 13.15921 12.50253 
18.66529 
1 1 1 22  17  22 o 47.62711 9.382884  584.3284       196.6026 670.8011       
274.8320 493.6996       281.3590 51.48120 12.76294 43.77301 13.75723 7.708191 
18.76577 
1 1 1 22  17  23 o 60.89560 7.383328  887.4648       182.3355 724.6849       
254.6439 1058.740       261.2039 53.98320 11.57014 67.80800 9.175288 -13.82479 
14.76666 
1 1 1 22  17  24 o 18.80193 6.389990  -259.3585      149.6584 -164.9710      
195.8289 -391.8901      232.0489 19.48354 9.172129 18.12033 8.899436 1.363211 
12.77998 
1 1 1 22  17  25 o 58.64230 7.839949  843.5886       187.9120 1047.200       
285.1581 687.3051       249.8281 65.74712 10.33071 51.53749 11.79558 14.20964 
15.67990 
1 1 1 22  17  26 o 26.33148 8.310201  13.21951       184.9451 86.30775       
283.7284 -40.77867      243.8757 28.51184 12.47561 24.15112 10.98166 4.360714 
16.62040 
1 1 1 22  17  27 o 66.27428 7.351509  1052.849       150.3831 1184.205       
354.8473 1024.093       166.0303 64.75201 13.49642 67.79654 5.833118 -3.044525 
14.70302 
1 1 1 22  17  28 o 24.20657 7.579858  57.24735       119.5713 33.01613       
305.3455 61.63609       129.9493 27.09498 12.31163 21.31816 8.845382 5.776819 
15.15972 
1 1 1 22  17  29 o 28.69332 8.172006  182.0197       123.0945 212.2378       
319.4089 176.7489       133.3986 30.63234 13.32041 26.75430 9.470663 3.878033 
16.34401 
1 1 1 22  17  30 o 36.30186 6.546225  411.8639       119.8563 71.34206       
232.3792 535.2859       139.9011 24.93850 11.06968 47.66523 6.991022 -22.72672 
13.09245 
1 1 1 22  17  31 o 25.03486 7.503188  129.9245       129.0813 88.12972       
252.6771 144.6834       150.1526 25.32584 11.37948 24.74388 9.782568 0.5819607 
15.00638 
1 1 1 22  17  32 o 20.40585 6.536543  -23.29650      134.1005 -400.0676      
258.6545 115.2065       156.8234 17.69096 8.805406 23.12073 9.662836 -5.429775 
13.07309 
1 1 1 22  17  33 o 21.50886 6.862654  55.60372       127.3401 132.2051       
209.8107 10.93089       160.2253 23.72309 10.52578 19.29462 8.808634 4.428474 
13.72531 
1 1 1 22  18  0  o 56.61267 7.688206  790.9874       172.2119 527.2098       
266.5727 979.9262       225.6095 46.46675 13.10110 66.75860 8.049543 -20.29185 
15.37641 
1 1 1 22  18  1  f 97.49977 5.799783  2087.099       237.2829 2002.183       
334.0288 2173.599       337.1302 95.42661 8.337493 99.57294 8.064499 -4.146332 
11.59957 
1 1 1 22  18  2  o 116.9935 5.169067  2973.019       253.1330 2954.634       
371.7999 2988.905       345.6022 116.4984 7.601696 117.4886 7.006515 
-0.9901886     10.33813 
1 1 1 22  18  3  o 57.43807 6.689166  727.7520       160.8330 764.4240       
238.6619 697.2426       217.6870 58.68664 9.686457 56.18950 9.227802 2.497139 
13.37833 
1 1 1 22  18  4  o 90.53291 5.524367  1767.114       206.6897 1700.696       
267.5392 1865.441       325.5246 88.68076 7.185865 92.38507 8.392727 -3.704308 
11.04873 
1 1 1 22  18  5  o 26.65675 8.025939  30.59754       155.1644 34.16899       
199.9968 25.19730       245.9271 25.60838 10.81738 27.70513 11.85947 -2.096750 
16.05188 
1 1 1 22  18  6  o 22.82386 7.449053  -194.9628      171.1251 -341.2101      
241.5036 -47.48838      242.5146 19.98276 9.637675 25.66496 11.36084 -5.682198 
14.89811 
1 1 1 22  18  7  o 36.69405 8.890060  288.2942       169.3382 190.3960       
246.9205 375.2220       232.6747 33.03541 12.66780 40.35270 12.47635 -7.317287 
17.78012 
1 1 1 22  18  8  o 77.25656 5.352934  1297.788       170.8923 1251.172       
263.1965 1331.764       224.6998 75.82982 8.267252 78.68330 6.802071 -2.853485 
10.70587 
1 1 1 22  18  9  o 27.51352 8.030540  67.11736       151.6225 115.2070       
209.9429 14.68831       219.2105 28.92902 11.52625 26.09802 11.18498 2.831001 
16.06108 
1 1 1 22  18  10 o 39.02928 8.698165  347.0588       159.5727 374.5353       
222.4792 317.9475       229.0019 40.29819 12.14833 37.76036 12.45192 2.537827 
17.39633 
1 1 1 22  18  11 o 69.23003 7.879095  1116.913       215.9949 839.0212       
315.4218 1362.284       296.3914 59.59019 12.96914 78.86987 8.951082 -19.27968 
15.75819 
1 1 1 22  18  12 o 50.52481 13.50909  610.4012       292.1894 0.000000       
0.000000 610.4012       292.1894 ?        ?        50.52481 13.50909 ? ? 
1 1 1 22  18  13 o 44.19256 14.23381  458.0631       299.6747 458.0631       
299.6747 0.000000       0.000000 44.19256 14.23381 ?        ?        ? ? 
1 1 1 22  18  14 o 23.69291 7.743736  -156.2672      168.3440 -182.8602      
205.5072 -102.0232      293.5074 20.39441 9.555262 26.99142 12.18847 -6.597006 
15.48747 
1 1 1 22  18  15 o 46.38707 7.831539  507.9784       150.0836 453.3336       
226.5992 550.6844       200.3220 43.83236 11.97681 48.94178 10.09396 -5.109421 
15.66308 
1 1 1 22  18  16 o 31.31849 7.914947  136.1972       147.3185 369.2061       
220.6079 -51.33893      197.9144 39.74877 12.12014 22.88820 10.18272 16.86057 
15.82989 
1 1 1 22  18  17 o 36.71465 8.269682  300.8631       146.0941 399.4230       
215.3892 216.8831       198.8206 41.09550 11.83809 32.33378 11.55033 8.761723 
16.53936 
1 1 1 22  18  18 o 36.15577 8.437547  292.6710       150.0859 368.5927       
220.7097 227.3639       204.7003 39.47567 12.14044 32.83588 11.72085 6.639793 
16.87509 
1 1 1 22  18  19 o 57.08968 6.783525  716.7744       155.5070 986.2932       
244.0569 532.5638       201.7687 66.58189 8.730839 47.59746 10.38447 18.98442 
13.56705 
1 1 1 22  18  20 o 43.28127 8.165468  432.0742       153.0441 621.6131       
239.0052 300.3430       199.2520 50.76986 11.48083 35.79267 11.61421 14.97719 
16.33094 
1 1 1 22  18  21 o 70.92480 7.448331  1216.168       206.3173 935.9995       
310.6122 1437.374       275.9987 61.63336 12.43975 80.21624 8.195316 -18.58288 
14.89666 
1 1 1 22  18  22 o 76.78257 6.144733  1344.555       195.7613 1125.778       
276.9404 1563.040       276.7563 69.99837 9.423656 83.56676 7.888327 -13.56839 
12.28947 
1 1 1 22  18  23 o 37.31004 8.192347  266.4538       158.1291 629.4265       
257.3553 46.30504       200.4261 49.54454 12.39183 25.07554 10.71917 24.46900 
16.38469 
1 1 1 22  18  24 o 31.54201 8.633209  184.5897       170.6460 346.0777       
249.7111 43.09845       233.7397 36.84554 12.96618 26.23848 11.40208 10.60706 
17.26642 
1 1 1 22  18  25 o 28.73811 8.490913  102.7143       174.0093 249.1633       
262.5693 -11.97716      232.3627 32.96200 12.96641 24.51422 10.96607 8.447775 
16.98183 
1 1 1 22  18  26 o 40.11268 7.998611  446.6968       131.6809 333.1281       
293.2102 475.3898       147.3796 35.52270 13.76239 44.70267 8.155235 -9.179970 
15.99722 
1 1 1 22  18  27 o 31.72304 8.437131  224.8986       126.2232 321.9159       
301.4773 204.2771       138.9919 34.62449 13.80700 28.82159 9.700893 5.802896 
16.87426 
1 1 1 22  18  28 o 74.72078 5.805402  1350.110       142.3072 1282.687       
312.8867 1367.694       159.7911 70.57070 10.56048 78.87086 4.825663 -8.300163 
11.61080 
1 1 1 22  18  29 o 38.24123 8.521901  408.1613       138.5226 465.9537       
296.3951 392.0104       156.6877 37.83967 14.03400 38.64280 9.671509 
-0.8031349     17.04380 
1 1 1 22  18  30 o 24.56371 7.200949  102.1573       134.1392 -167.0015      
254.3468 205.8654       157.8805 21.08756 10.10165 28.03985 10.26505 -6.952288 
14.40190 
1 1 1 22  18  31 o 21.63390 6.715103  51.65052       114.2038 -42.78730      
215.3396 88.60697       134.7088 21.34103 9.927139 21.92676 9.045568 
-0.5857296     13.43021 
1 1 1 22  18  32 o 21.47246 7.009964  10.23762       133.9241 36.26519       
255.4415 0.3713090      157.2722 23.49744 10.88463 19.44749 8.836463 4.049946 
14.01993 
1 1 1 22  18  33 o 22.91108 7.365741  64.59995       137.1841 246.4872       
262.8865 -3.465877      160.8169 26.87859 11.87212 18.94357 8.721777 7.935026 
14.73148 
1 1 1 22  19  0  o 103.9633 5.372159  2375.910       234.3759 2476.527       
335.1234 2279.577       327.9096 106.1656 7.518690 101.7611 7.675263 4.404457 
10.74432 
1 1 1 22  19  1  o 32.17968 7.971063  194.1350       135.8193 344.4905       
214.1521 92.96169       175.6692 38.21665 12.00049 26.14271 10.49474 12.07394 
15.94213 
1 1 1 22  19  2  o 39.56959 7.936451  374.8675       142.1004 264.6412       
213.4172 462.6530       190.4576 34.67588 12.00749 44.46330 10.38120 -9.787426 
15.87290 
1 1 1 22  19  3  o 75.70099 5.256218  1246.728       166.9835 1206.750       
232.3100 1289.463       240.1876 74.44673 7.432644 76.95525 7.434187 -2.508514 
10.51244 
1 1 1 22  19  4  o 56.98129 6.810071  720.1155       157.8438 596.3046       
210.3656 879.6223       238.7728 50.85688 10.21205 63.10569 9.012336 -12.24881 
13.62014 
1 1 1 22  19  5  o 33.51022 8.612255  225.3084       156.3575 252.7631       
232.5090 202.6424       211.2608 34.82330 12.48551 32.19714 11.86574 2.626156 
17.22451 
1 1 1 22  19  6  o 32.44135 8.857306  170.6548       178.6574 277.7540       
233.9452 20.80158       276.7287 35.92038 12.55888 28.96232 12.49328 6.958061 
17.71461 
1 1 1 22  19  7  f 53.11323 7.438183  649.7324       161.3699 567.7435       
240.0612 717.3194       217.9594 49.13900 11.77307 57.08746 9.094019 -7.948463 
14.87637 
1 1 1 22  19  8  o 93.64275 5.150234  1907.009       201.1457 1785.617       
295.6017 2011.684       274.4955 90.66226 7.766073 96.62323 6.766665 -5.960968 
10.30047 
1 1 1 22  19  9  o 74.26375 6.440137  1197.003       198.8079 1458.957       
298.6286 988.4901       266.4318 81.60926 8.715917 66.91824 9.483367 14.69102 
12.88027 
1 1 1 22  19  10 o 64.53577 8.004525  781.0442       195.8835 1539.644       
377.1663 500.8497       229.2220 82.89530 10.83737 46.17623 11.78308 36.71907 
16.00905 
1 1 1 22  19  11 o 86.39477 6.999008  1613.985       247.3210 1841.854       
407.2061 1480.795       311.3203 90.71719 10.69168 82.07234 9.035071 8.644852 
13.99802 
1 1 1 22  19  12 f 32.72289 9.283865  149.2661       197.2974 65.95381       
289.4358 221.5798       269.6547 30.71964 12.99667 34.72613 13.26073 -4.006487 
18.56773 
1 1 1 22  19  13 o 130.8522 9.052829  3917.593       495.3436 4370.445       
739.4681 3548.990       667.1446 137.6646 12.79435 124.0398 12.81091 13.62470 
18.10566 
1 1 1 22  19  14 o 63.66695 11.78240  946.5011       303.0911 0.000000       
0.000000 946.5011       303.0911 ?        ?        63.66695 11.78240 ? ? 
1 1 1 22  19  15 o 37.71967 9.734261  281.4699       208.3548 436.2899       
296.1308 129.6915       293.2074 42.97276 14.15985 32.46658 13.36121 10.50618 
19.46852 
1 1 1 22  19  16 o 73.30961 7.345029  1170.791       204.4453 1118.210       
240.4223 1308.109       388.5290 71.44639 8.015224 75.17283 12.31073 -3.726440 
14.69006 
1 1 1 22  19  17 o 33.45650 8.149901  235.3753       145.9589 112.2409       
212.6489 345.0634       200.7027 28.58123 11.51634 38.33177 11.53505 -9.750544 
16.29980 
1 1 1 22  19  18 o 43.75539 7.341759  463.4985       152.0544 141.5242       
225.3384 732.6624       206.0311 30.01976 11.94749 57.49102 8.535991 -27.47126 
14.68352 
1 1 1 22  19  19 o 38.07699 8.095396  323.0161       146.4404 505.6013       
221.6491 181.5781       195.0816 45.75872 11.53353 30.39527 11.36308 15.36345 
16.19079 
1 1 1 22  19  20 o 39.51248 8.050582  374.4871       141.5031 442.2313       
206.8625 314.9125       193.9885 42.66866 11.34774 36.35630 11.42262 6.312359 
16.10116 
1 1 1 22  19  21 o 43.77352 8.862053  485.7057       178.3734 623.9290       
245.3657 330.7821       259.7658 50.27111 11.81270 37.27592 13.21378 12.99519 
17.72411 
1 1 1 22  19  22 o 41.41340 8.926135  437.3280       171.6285 358.1476       
246.6658 511.6363       238.9565 37.95822 12.92324 44.86858 12.31639 -6.910362 
17.85227 
1 1 1 22  19  23 o 40.67123 8.712916  423.2523       170.4647 261.9896       
244.2404 576.4139       238.0266 33.79885 12.69878 47.54362 11.93317 -13.74476 
17.42583 
1 1 1 22  19  24 o 34.42415 8.868170  277.2861       178.4564 99.15926       
265.6075 423.8661       240.9423 28.81583 12.32957 40.03247 12.74988 -11.21665 
17.73634 
1 1 1 22  19  25 o 46.91951 7.905382  592.1031       133.8401 488.9317       
301.6143 617.3999       149.3497 41.41053 14.28084 52.42849 6.785129 -11.01796 
15.81076 
1 1 1 22  19  26 o 18.92479 6.554299  -194.3167      122.8581 -197.6860      
291.1073 -193.5865      135.5185 23.21541 11.02667 14.63417 7.088574 8.581244 
13.10860 
1 1 1 22  19  27 o 25.68554 7.752520  100.1900       127.9513 23.97709       
297.0615 117.5499       141.7768 26.98156 12.21885 24.38953 9.544948 2.592035 
15.50504 
1 1 1 22  19  28 o 33.32346 7.885670  258.9645       109.5041 399.7874       
249.5679 225.3887       121.8611 36.76521 12.95996 29.88171 8.987461 6.883497 
15.77134 
1 1 1 22  19  29 o 45.87644 7.247507  676.8989       150.5329 231.0807       
268.4348 881.4113       181.8108 30.36289 12.66273 61.39000 7.054125 -31.02711 
14.49501 
1 1 1 22  19  30 o 51.48862 7.409961  796.8863       144.0938 532.0120       
260.4153 913.7670       172.9887 40.36755 13.27853 62.60970 6.581081 -22.24215 
14.81992 
1 1 1 22  19  31 o 28.01725 7.235958  210.4754       135.5236 -120.5530      
252.4458 344.5049       160.6334 21.30817 10.17276 34.72634 10.29326 -13.41817 
14.47192 
1 1 1 22  19  32 o 24.90131 7.598779  78.59150       128.2354 345.6313       
255.5757 -11.25647      148.2469 31.12434 12.59047 18.67827 8.511516 12.44606 
15.19756 
1 1 1 22  19  33 o 26.36452 7.832025  199.6664       131.1367 327.8958       
264.4127 157.8368       151.0186 28.86196 12.32401 23.86709 9.668575 4.994873 
15.66405 
1 1 1 22  20  0  o 29.01067 7.848445  147.6839       135.4870 224.9202       
199.5473 81.62381       184.5459 32.14850 11.56269 25.87283 10.61586 6.275669 
15.69689 
1 1 1 22  20  1  o 79.32203 5.154001  1367.604       169.3364 1468.854       
265.3909 1298.077       219.9223 81.54232 7.752184 77.10174 6.794008 4.440582 
10.30800 
1 1 1 22  20  2  o 42.11212 7.496695  436.7916       133.4242 323.1458       
213.4239 509.7029       170.9480 37.10576 12.01815 47.11848 8.964694 -10.01272 
14.99339 
1 1 1 22  20  3  o 66.79646 5.992217  973.7526       166.6732 1098.701       
256.5175 882.4603       219.2651 70.36720 8.682961 63.22573 8.260317 7.141460 
11.98443 
1 1 1 22  20  4  o 48.85549 7.474309  566.4864       161.3447 226.9228       
226.9751 913.3311       229.3957 33.39508 12.29992 64.31590 8.495483 -30.92081 
14.94862 
1 1 1 22  20  5  o 40.48838 8.805836  386.5145       163.4986 378.4816       
219.8669 396.4514       244.5399 40.05884 12.07692 40.91793 12.81869 
-0.8590927     17.61167 
1 1 1 22  20  6  o 90.60043 6.411222  1789.582       236.4731 1707.773       
297.2923 1930.501       390.1847 88.33525 8.016238 92.86561 10.00775 -4.530357 
12.82244 
1 1 1 22  20  7  o 37.97453 8.661458  329.6535       160.4385 244.2398       
232.7998 406.9187       221.4167 34.42247 12.47822 41.52657 12.01571 -7.104099 
17.32292 
1 1 1 22  20  8  o 31.09366 8.288603  168.6995       156.9909 -30.24363      
265.3042 275.8958       194.7465 27.10791 11.95603 35.07942 11.48290 -7.971508 
16.57721 
1 1 1 22  20  9  o 88.96999 6.171794  1735.435       219.5842 1758.792       
371.9247 1722.937       272.0620 88.80759 9.975302 89.13237 7.270319 
-0.3247757     12.34359 
1 1 1 22  20  10 f 60.13208 8.009040  854.4877       191.1262 734.7350       
303.5724 933.1272       246.0027 55.22134 13.24471 65.04282 9.008686 -9.821480 
16.01808 
1 1 1 22  20  11 o 76.26765 7.094280  1310.344       222.6104 1224.586       
343.2786 1372.580       292.4357 73.57930 11.11251 78.95600 8.821983 -5.376701 
14.18856 
1 1 1 22  20  12 o 40.98500 9.713714  379.1413       200.5305 269.8825       
277.8528 497.9195       289.7042 36.50698 13.57830 45.46302 13.89441 -8.956039 
19.42743 
1 1 1 22  20  13 o 131.2507 7.771203  3906.148       421.5581 3940.003       
552.7447 3859.078       651.7640 132.8232 9.912234 129.6783 11.97138 3.144989 
15.54241 
1 1 1 22  20  14 o 96.72174 7.484938  2092.261       302.3764 2302.935       
456.8697 1928.045       403.3612 100.8860 10.78655 92.55751 10.38015 8.328453 
14.96988 
1 1 1 22  20  15 o 74.84183 7.231411  1239.610       224.4466 1006.400       
298.4515 1543.206       340.5242 66.65410 10.66518 83.02956 9.768688 -16.37546 
14.46282 
1 1 1 22  20  16 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  20  17 o 45.86874 8.960030  514.5093       191.9091 741.4655       
266.5003 270.0583       276.5811 55.69101 11.76255 36.04647 13.51928 19.64455 
17.92006 
1 1 1 22  20  18 o 29.41770 8.078226  144.9176       142.9756 201.8961       
214.4231 99.30400       191.8508 31.81007 11.90889 27.02533 10.91830 4.784740 
16.15645 
1 1 1 22  20  19 o 37.95982 7.457760  336.0283       141.4324 89.24296       
205.7088 557.2659       194.7703 27.17858 11.18929 48.74105 9.862689 -21.56246 
14.91552 
1 1 1 22  20  20 o 45.45127 7.057871  501.0869       131.4091 567.1834       
169.5247 401.5794       208.0038 50.43132 8.006701 40.47121 11.62527 9.960106 
14.11574 
1 1 1 22  20  21 f 42.66958 8.139738  433.5392       174.6625 106.3526       
245.7800 767.3588       248.2588 28.99732 12.10642 56.34184 10.88375 -27.34451 
16.27948 
1 1 1 22  20  22 o 63.47519 6.731702  935.7811       179.3041 936.8221       
257.5424 934.8019       249.7842 63.40979 9.674165 63.54059 9.363427 
-0.1307983     13.46340 
1 1 1 22  20  23 o 38.77240 9.187643  382.5814       176.6365 473.4503       
264.6475 309.5816       237.2033 42.13266 13.35666 35.41214 12.61946 6.720524 
18.37529 
1 1 1 22  20  24 o 53.77424 7.663715  706.7454       131.5250 732.9380       
311.0122 701.0410       145.1423 51.25196 14.04348 56.29652 6.140923 -5.044556 
15.32743 
1 1 1 22  20  25 o 40.61500 8.412171  321.4355       126.4185 714.9756       
298.8260 235.6498       139.5184 50.27522 13.76107 30.95477 9.679440 19.32045 
16.82434 
1 1 1 22  20  26 o 21.74398 7.206939  -78.03461      125.5265 -4.975133      
291.3127 -94.69289      139.1030 26.48774 12.03296 17.00021 7.935222 9.487524 
14.41388 
1 1 1 22  20  27 o 34.74498 8.524894  310.6682       132.9665 354.9319       
305.4550 300.3197       147.6942 35.33484 13.95813 34.15513 9.791120 1.179703 
17.04979 
1 1 1 22  20  28 o 24.94117 7.179070  70.66080       111.6808 252.4756       
205.8568 -5.170946      132.9463 30.96733 11.65371 18.91500 8.387331 12.05233 
14.35814 
1 1 1 22  20  29 o 29.49059 8.028294  222.0363       132.9434 233.9858       
248.6938 217.2554       157.3059 30.13160 12.33674 28.84958 10.27710 1.282013 
16.05659 
1 1 1 22  20  30 o 27.64799 7.709118  64.68832       132.7839 459.0345       
249.7151 -90.76794      156.7870 37.59327 12.99133 17.70272 8.303447 19.89055 
15.41824 
1 1 1 22  20  31 f 49.25097 7.749839  617.6234       144.9666 962.2303       
275.6819 485.9148       170.4328 56.54008 11.97942 41.96186 9.835322 14.57821 
15.49968 
1 1 1 22  20  32 o 27.09988 7.980412  181.1394       133.4053 353.1112       
265.3062 122.9429       154.3360 31.00055 12.72560 23.19921 9.633636 7.801340 
15.96082 
1 1 1 22  20  33 o 30.16188 7.692701  243.4839       108.3823 501.5948       
229.4433 169.3484       122.9661 35.95827 12.45030 24.36548 9.038841 11.59279 
15.38540 
1 1 1 22  21  0  o 28.36778 7.769250  139.9869       132.9360 214.8611       
198.8817 79.51815       178.7288 31.40860 11.51888 25.32696 10.42882 6.081636 
15.53850 
1 1 1 22  21  1  o 21.80387 6.856114  -35.66597      124.4825 5.049805       
191.2692 -65.58475      163.9591 23.63026 10.29214 19.97749 9.060738 3.652769 
13.71223 
1 1 1 22  21  2  o 33.32894 7.861879  257.0096       132.8352 170.2840       
204.6373 320.1631       174.6265 30.02703 11.52705 36.63084 10.69410 -6.603807 
15.72376 
1 1 1 22  21  3  o 48.29153 7.059637  535.0806       141.6523 768.9891       
210.8575 342.6899       191.2309 58.69415 8.556876 37.88890 11.23093 20.80524 
14.11927 
1 1 1 22  21  4  o 36.98642 8.369200  320.4067       149.2098 252.8111       
213.6989 384.7095       208.4289 33.92383 11.98906 40.04901 11.68060 -6.125175 
16.73840 
1 1 1 22  21  5  o 46.83475 8.192466  517.7379       159.6220 449.5430       
211.5993 607.7896       243.1554 43.33202 11.45540 50.33748 11.71494 -7.005459 
16.38493 
1 1 1 22  21  6  o 25.07158 7.922740  -69.38567      170.4292 -135.6519      
227.8076 14.84898       256.8427 22.54905 10.38129 27.59411 11.97114 -5.045065 
15.84548 
1 1 1 22  21  7  o 80.24094 6.545229  1451.089       216.1762 1332.681       
330.9276 1539.229       285.5138 76.81896 10.26090 83.66290 8.128591 -6.843941 
13.09046 
1 1 1 22  21  8  o 28.55005 7.716114  133.0545       139.0045 -118.2922      
259.0732 234.6638       164.7224 24.69461 11.25278 32.40549 10.56071 -7.710873 
15.43223 
1 1 1 22  21  9  o 50.56643 8.804027  602.4006       177.4955 652.2487       
310.4596 578.1955       216.3392 51.40410 14.00703 49.72876 10.66990 1.675343 
17.60805 
1 1 1 22  21  10 o 35.63151 9.322005  250.8406       186.5305 344.8634       
275.6073 171.3717       253.3802 39.04281 13.63319 32.22021 12.71751 6.822601 
18.64401 
1 1 1 22  21  11 o 32.81891 8.974713  184.4986       176.0936 258.7253       
263.7788 124.8232       236.5141 35.59770 13.23197 30.04013 12.12835 5.557570 
17.94943 
1 1 1 22  21  12 o 34.07579 9.301804  209.1960       191.3376 131.4417       
277.4292 279.7316       264.2372 31.79007 13.02526 36.36151 13.28296 -4.571442 
18.60361 
1 1 1 22  21  13 o 33.13260 9.292377  170.8286       195.5309 265.0110       
278.9848 79.89935       274.1241 36.11298 13.57125 30.15221 12.69702 5.960775 
18.58475 
1 1 1 22  21  14 o 132.0204 7.309376  3943.105       400.6972 3935.002       
529.9734 3953.918       612.2277 132.5882 9.520729 131.4526 11.09340 1.135620 
14.61875 
1 1 1 22  21  15 f 36.57987 9.100533  292.1784       187.0898 430.3972       
239.2457 74.60182       300.1696 42.24616 12.57008 30.91358 13.16328 11.33258 
18.20107 
1 1 1 22  21  16 o 79.45642 7.562276  1406.743       247.8691 1244.652       
316.5998 1663.435       398.4168 74.00923 10.18933 84.90362 11.17719 -10.89439 
15.12455 
1 1 1 22  21  17 o 39.17948 12.94338  367.1140       247.4353 0.000000       
0.000000 367.1140       247.4353 ?        ?        39.17948 12.94338 ? ? 
1 1 1 22  21  18 o 41.23480 13.01605  419.2127       251.5216 419.2127       
251.5216 0.000000       0.000000 41.23480 13.01605 ?        ?        ? ? 
1 1 1 22  21  19 o 31.32095 8.863495  162.7385       178.7847 97.86177       
252.7025 227.7564       252.9773 29.22582 12.24334 33.41608 12.81978 -4.190262 
17.72699 
1 1 1 22  21  20 o 29.54886 7.397742  181.3666       123.8160 281.8653       
163.4953 46.22254       189.5935 34.34631 10.42625 24.75142 10.49760 9.594891 
14.79548 
1 1 1 22  21  21 o 24.02726 7.621300  -40.45221      159.6788 -54.27119      
231.8434 -27.98155      220.2429 24.00119 10.83574 24.05333 10.72025 
-0.5213737E-01 15.24260 
1 1 1 22  21  22 o 34.46088 8.536334  251.8002       173.8785 3.122300       
253.0425 474.2609       239.3325 26.17582 11.59363 42.74593 12.53251 -16.57012 
17.07267 
1 1 1 22  21  23 o 62.83614 7.091371  1045.375       141.3854 772.2227       
294.5282 1127.168       161.1695 53.77662 13.13925 71.89565 5.339509 -18.11902 
14.18274 
1 1 1 22  21  24 o 28.85429 7.868773  179.3310       122.3482 79.15192       
282.7909 202.4010       135.7067 28.58394 12.48148 29.12465 9.585560 
-0.5407124     15.73755 
1 1 1 22  21  25 o 29.92357 8.103253  202.2975       126.6255 142.3923       
295.6438 215.7556       140.1291 30.12503 12.95275 29.72211 9.740497 0.4029121 
16.20651 
1 1 1 22  21  26 o 30.56133 7.954947  237.7038       132.6240 52.73260       
301.9333 281.9241       147.6282 27.85330 12.47901 33.26936 9.869090 -5.416058 
15.90989 
1 1 1 22  21  27 o 25.43634 6.849959  132.6131       112.2990 -48.39598      
196.6541 220.2017       136.7970 21.34373 9.750208 29.52894 9.623991 -8.185213 
13.69992 
1 1 1 22  21  28 o 26.48455 7.793778  99.49405       132.6658 268.8985       
244.6421 28.92398       157.8989 31.62591 12.49207 21.34319 9.323099 10.28272 
15.58756 
1 1 1 22  21  29 o 25.37327 7.560953  119.6820       128.7296 111.4252       
242.8551 122.9085       151.8117 26.40913 11.54892 24.33741 9.761888 2.071722 
15.12191 
1 1 1 22  21  30 o 33.49351 8.036916  325.6190       127.7197 335.0244       
252.3837 322.3813       148.0806 32.67447 12.74575 34.31255 9.793561 -1.638077 
16.07383 
1 1 1 22  21  31 o 30.26273 7.218262  283.4138       131.7756 -21.68069      
255.8706 393.5461       153.7307 22.88957 10.71315 37.63589 9.676865 -14.74633 
14.43652 
1 1 1 22  21  32 o 28.82623 8.082528  237.5246       129.7576 394.3351       
260.9151 185.9976       149.5646 32.02553 12.81760 25.62694 9.849781 6.398586 
16.16506 
1 1 1 22  21  33 o 30.75050 7.389067  346.8170       130.3970 149.2438       
265.9983 409.3158       149.6065 24.53442 11.26269 36.96658 9.567919 -12.43216 
14.77813 
1 1 1 22  22  0  o 41.37836 7.567287  426.0351       133.3568 367.6674       
190.0370 482.6642       187.1854 38.33691 11.14438 44.41981 10.24003 -6.082901 
15.13457 
1 1 1 22  22  1  o 59.23099 5.774272  777.6774       141.4427 883.5739       
224.5744 708.0508       182.0987 62.28321 8.588360 56.17877 7.720684 6.104443 
11.54854 
1 1 1 22  22  2  o 31.84166 7.673029  224.5476       123.6251 303.0750       
186.6535 163.1790       165.0056 35.41492 11.21613 28.26841 10.47377 7.146509 
15.34606 
1 1 1 22  22  3  o 36.50120 6.984798  310.9626       132.2878 28.00643       
196.3082 546.3470       179.0473 24.58695 10.56255 48.41545 9.142324 -23.82850 
13.96960 
1 1 1 22  22  4  o 45.48618 7.423555  480.8521       151.4449 228.7445       
206.6693 773.2291       222.5638 32.48788 11.75904 58.48448 9.064314 -25.99660 
14.84711 
1 1 1 22  22  5  o 34.57442 8.942430  254.3293       170.5710 325.4607       
250.8569 193.1635       232.6217 37.32168 13.00909 31.82717 12.27322 5.494516 
17.88486 
1 1 1 22  22  6  o 66.52833 6.992933  1005.548       194.8534 919.6182       
272.2050 1095.855       279.0512 63.44160 10.21981 69.61505 9.547767 -6.173450 
13.98587 
1 1 1 22  22  7  o 41.72198 8.520703  409.8796       143.1918 422.4165       
293.8263 405.9748       163.9823 41.73737 14.10465 41.70659 9.563914 
0.3078079E-01  17.04141 
1 1 1 22  22  8  o 33.68998 8.888510  215.6715       158.0535 299.4237       
286.1226 178.8921       189.6079 37.19581 13.78997 30.18414 11.21870 7.011667 
17.77702 
1 1 1 22  22  9  o 32.40064 8.373460  166.2382       168.8238 -77.48929      
245.7092 384.1942       232.3558 24.73870 11.16261 40.06258 12.48421 -15.32387 
16.74692 
1 1 1 22  22  10 o 26.10452 8.095638  -5.793482      168.3229 -221.3405      
311.7659 82.88686       199.9730 25.30143 11.83703 26.90762 11.04727 -1.606188 
16.19128 
1 1 1 22  22  11 o 46.32096 9.367427  525.2111       192.3380 449.7782       
266.1595 607.6572       278.2577 42.96579 13.35600 49.67613 13.13819 -6.710339 
18.73485 
1 1 1 22  22  12 o 30.69360 9.045254  102.4694       195.0173 25.21437       
292.2292 164.4998       261.8561 29.32907 12.74717 32.05814 12.83651 -2.729071 
18.09051 
1 1 1 22  22  13 o 57.96716 8.299496  768.8411       197.4733 575.9835       
257.9252 1042.023       306.9736 48.54296 12.56226 67.39137 10.84970 -18.84840 
16.59899 
1 1 1 22  22  14 o 47.21056 9.955260  548.0933       208.2579 499.3316       
266.5572 624.4932       333.6552 44.97274 13.23915 49.44838 14.87124 -4.475636 
19.91052 
1 1 1 22  22  15 o 38.65508 9.523407  340.5435       184.4140 308.7180       
230.6720 396.9123       306.9917 36.54113 12.49724 40.76904 14.37359 -4.227917 
19.04681 
1 1 1 22  22  16 o 48.06732 8.848470  552.8675       182.9494 394.9912       
241.9727 763.5583       279.5316 40.24970 12.77287 55.88493 12.24890 -15.63523 
17.69694 
1 1 1 22  22  17 o 51.87936 8.379501  659.8319       178.0849 676.3660       
240.3015 639.6877       265.2417 53.01767 11.14835 50.74105 12.51313 2.276627 
16.75900 
1 1 1 22  22  18 o 28.63393 8.471190  87.53902       171.9476 147.7965       
247.2577 31.10742       239.2796 30.51138 12.36684 26.75648 11.58039 3.754900 
16.94238 
1 1 1 22  22  19 o 74.62070 10.17862  1296.230       318.8798 0.000000       
0.000000 1296.230       318.8798 ?        ?        74.62070 10.17862 ? ? 
1 1 1 22  22  20 o 39.23721 8.880633  389.8260       173.9542 241.4260       
259.0387 511.7173       234.7654 33.56950 12.95007 44.90491 12.15559 -11.33541 
17.76127 
1 1 1 22  22  21 o 31.64490 8.633859  202.0520       170.4418 58.34942       
264.5179 304.0730       222.8780 28.03469 12.15528 35.25512 12.26471 -7.220425 
17.26772 
1 1 1 22  22  22 o 22.82671 7.119245  19.97619       119.8110 -210.5624      
284.8040 69.54736       132.0654 23.29422 10.99385 22.35919 9.048193 0.9350319 
14.23849 
1 1 1 22  22  23 o 84.07611 5.995618  1526.421       171.7323 1842.742       
386.5145 1448.616       191.6927 86.91365 10.59251 81.23858 5.620362 5.675072 
11.99124 
1 1 1 22  22  24 o 53.98624 7.484447  683.7603       133.4908 809.5640       
304.2416 653.7670       148.5540 53.96415 13.45901 54.00834 6.551558 
-0.4418945E-01 14.96889 
1 1 1 22  22  25 o 37.18959 8.234976  263.5581       112.6497 608.9566       
284.6515 199.4183       122.6640 45.75606 13.73080 28.62311 9.095295 17.13295 
16.46995 
1 1 1 22  22  26 o 31.44440 7.084335  261.8124       130.9331 -79.12412      
240.9570 404.6591       155.9689 22.85041 10.57979 40.03838 9.424401 -17.18797 
14.16867 
1 1 1 22  22  27 o 32.93834 8.116633  281.5447       128.8617 332.8753       
241.1759 261.0357       152.4465 34.26789 12.66936 31.60880 10.14920 2.659086 
16.23327 
1 1 1 22  22  28 o 34.78053 8.142976  317.0916       126.2939 417.7441       
249.3737 282.3701       146.4663 36.93096 12.96123 32.63010 9.860971 4.300865 
16.28595 
1 1 1 22  22  29 o 31.70795 8.197929  271.9287       133.1214 343.4001       
247.7506 242.9183       157.8431 33.47915 12.73222 29.93675 10.33028 3.542406 
16.39586 
1 1 1 22  22  30 o 20.92241 6.859217  -31.34513      127.3384 7.061502       
248.1729 -45.07010      148.3566 23.61333 10.85617 18.23149 8.386839 5.381838 
13.71843 
1 1 1 22  22  31 f 19.18291 6.360331  -52.85822      123.6700 -237.6389      
250.1791 6.895887       142.2678 19.28474 9.412397 19.08109 8.556986 0.2036419 
12.72066 
1 1 1 22  22  32 o 25.20813 7.109807  182.4540       123.7150 -42.27512      
259.9639 248.2505       140.6646 21.67511 10.34203 28.74114 9.759089 -7.066025 
14.21961 
1 1 1 22  22  33 o 16.48773 5.639619  -147.5611      122.5045 -613.2043      
265.1598 -21.19991      138.1299 15.61515 7.923594 17.36031 8.027322 -1.745160 
11.27924 
1 1 1 22  23  0  o 23.00614 7.002299  26.62591       124.7697 -55.69784      
192.9686 85.76796       163.5582 21.57703 9.799800 24.43525 10.00463 -2.858221 
14.00460 
1 1 1 22  23  1  o 35.21826 6.923063  299.2576       125.5755 54.79735       
185.9315 504.2935       170.2801 24.48599 10.39092 45.95053 9.151171 -21.46455 
13.84613 
1 1 1 22  23  2  o 29.23861 7.584002  179.3675       122.2234 234.8174       
184.5636 136.0559       163.1165 31.74791 11.14970 26.72931 10.28360 5.018593 
15.16800 
1 1 1 22  23  3  o 21.44896 6.974161  -107.6176      135.2224 -18.91636      
235.6289 -151.1753      165.1187 25.00616 11.11823 17.89175 8.422630 7.114418 
13.94832 
1 1 1 22  23  4  o 54.50230 7.663404  714.2966       164.9640 705.9683       
275.8224 718.9346       205.8356 52.75042 12.60766 56.25417 8.715388 -3.503757 
15.32681 
1 1 1 22  23  5  o 22.15483 7.282705  -150.3889      164.3477 -240.1542      
256.7424 -88.07085      213.9195 21.86419 10.37091 22.44548 10.22719 
-0.5812931     14.56541 
1 1 1 22  23  6  o 41.61697 9.431979  435.5345       186.9154 408.7634       
271.1000 459.7918       258.0586 40.52621 13.54820 42.70773 13.12613 -2.181515 
18.86396 
1 1 1 22  23  7  o 61.52406 6.788685  828.1241       168.3990 993.8753       
289.6509 743.4922       206.9730 65.48264 10.53586 57.56549 8.563919 7.917149 
13.57737 
1 1 1 22  23  8  o 57.40612 7.741671  797.0707       175.7591 698.9634       
283.3021 858.4589       224.0996 52.92663 12.85841 61.88560 8.625269 -8.958969 
15.48334 
1 1 1 22  23  9  f 45.61303 9.014994  484.8301       173.1398 653.2157       
296.0861 397.3314       213.4353 50.78749 13.60774 40.43857 11.82835 10.34892 
18.02999 
1 1 1 22  23  10 o 47.79796 8.777505  552.0776       181.6581 751.6582       
270.7841 388.7496       244.9595 55.61483 11.94111 39.98108 12.86811 15.63375 
17.55501 
1 1 1 22  23  11 o 86.21803 6.597994  1680.498       237.9638 1694.459       
324.3271 1664.219       350.2264 86.88743 8.890932 85.54863 9.751175 1.338799 
13.19599 
1 1 1 22  23  12 o 30.34281 8.946226  109.6422       187.3640 101.4645       
245.8009 120.9836       289.4672 29.26215 12.15486 31.42346 13.13009 -2.161316 
17.89245 
1 1 1 22  23  13 o 36.77444 9.367085  270.6005       181.1183 167.3228       
225.1415 460.0294       304.9127 30.65436 12.02172 42.89452 14.36827 -12.24016 
18.73417 
1 1 1 22  23  14 o 33.57133 9.111300  225.6797       184.2405 304.4967       
227.2003 74.31619       314.8542 36.12503 12.40072 31.01763 13.35235 5.107399 
18.22260 
1 1 1 22  23  15 o 37.90820 9.563684  338.1728       192.7138 349.4644       
271.5501 326.7153       273.5377 38.31700 13.51750 37.49940 13.53268 0.8176041 
19.12737 
1 1 1 22  23  16 o 30.26335 8.602489  142.7958       170.5315 218.6134       
235.6602 59.45148       247.0809 32.64803 12.41722 27.87866 11.90899 4.769369 
17.20498 
1 1 1 22  23  17 o 27.51204 8.211350  52.11880       167.0109 -61.48808      
233.5257 171.0605       238.9458 24.09089 10.87567 30.93318 12.30548 -6.842287 
16.42270 
1 1 1 22  23  18 o 34.84503 8.878940  253.6189       177.0688 438.0581       
255.3510 82.78701       245.7511 41.42282 13.11878 28.26725 11.96828 13.15557 
17.75788 
1 1 1 22  23  19 o 66.60228 7.356050  1062.246       198.5368 1202.963       
277.8277 915.3991       283.8150 72.28879 9.154311 60.91577 11.51714 11.37302 
14.71210 
1 1 1 22  23  20 o 55.30470 7.784243  719.2905       126.7205 788.4441       
333.7242 707.6399       136.9799 53.68649 14.47495 56.92290 5.731798 -3.236416 
15.56849 
1 1 1 22  23  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  23  22 o 24.73166 7.699126  44.23718       124.1283 -3.817969      
305.1379 53.76632       135.8792 27.65006 12.45988 21.81326 9.047518 5.836798 
15.39825 
1 1 1 22  23  23 o 59.41143 8.167023  924.6504       141.7230 858.6594       
362.6761 936.5433       153.9650 53.59939 15.33581 65.22348 5.622626 -11.62409 
16.33405 
1 1 1 22  23  24 f 41.08784 7.729059  466.6615       131.1506 330.4341       
279.2899 505.1991       148.5475 35.29486 13.49043 46.88082 7.547292 -11.58596 
15.45812 
1 1 1 22  23  25 o 23.89433 7.276597  -30.59271      124.3819 235.4358       
234.0164 -135.3366      146.8408 31.22305 12.25400 16.56561 7.850787 14.65743 
14.55319 
1 1 1 22  23  26 o 35.13548 8.016803  344.2629       134.3455 274.2308       
245.0341 374.3629       160.6427 32.30854 12.56787 37.96241 9.956166 -5.653873 
16.03361 
1 1 1 22  23  27 o 40.97177 8.011230  433.1691       131.4192 563.0938       
250.2993 383.7202       154.4160 43.49828 12.83668 38.44526 9.588474 5.053024 
16.02246 
1 1 1 22  23  28 o 76.43533 5.868973  1474.244       170.4916 1252.436       
294.3963 1586.174       209.1305 69.36404 10.10925 83.50661 5.965099 -14.14257 
11.73795 
1 1 1 22  23  29 o 33.92194 7.593908  355.0392       136.2144 139.0903       
250.4400 445.7609       162.3243 26.96726 11.76097 40.87663 9.609854 -13.90937 
15.18782 
1 1 1 22  23  30 o 26.01812 7.588652  155.2513       121.7672 175.0701       
249.6921 149.0672       139.4768 27.33325 11.82984 24.70300 9.508177 2.630255 
15.17730 
1 1 1 22  23  31 o 20.14639 6.616578  -11.83111      123.6971 -119.5891      
255.2328 21.24891       141.4147 20.92753 10.04769 19.36525 8.611633 1.562277 
13.23316 
1 1 1 22  23  32 o 18.45887 6.308455  -85.16724      120.8550 -53.67779      
255.0582 -94.28407      137.2393 21.17417 10.13655 15.74357 7.512446 5.430593 
12.61691 
1 1 1 22  23  33 o 23.85538 7.358819  132.6299       115.4369 252.5032       
266.3896 104.9155       128.0880 26.53424 11.80897 21.17652 8.783913 5.357716 
14.71764 
1 1 1 22  24  0  o 25.09797 7.400919  74.90532       136.1844 -54.22071      
213.5055 163.4755       176.8259 22.45507 10.22772 27.74088 10.69991 -5.285816 
14.80184 
1 1 1 22  24  1  o 40.68029 8.235085  434.0038       143.8387 422.5674       
250.2102 439.6488       175.7895 39.42892 13.01575 41.93166 10.09240 -2.502735 
16.47017 
1 1 1 22  24  2  o 24.04867 7.412639  16.87692       130.6437 92.63657       
235.5415 -16.78570      157.0082 27.52190 11.68797 20.57544 9.120314 6.946457 
14.82528 
1 1 1 22  24  3  o 21.90797 7.005513  -142.0837      131.2766 121.4481       
233.9517 -263.1932      158.5984 28.52425 11.85392 15.29169 7.469492 13.23255 
14.01103 
1 1 1 22  24  4  o 33.50122 8.201143  269.6759       153.8036 64.72086       
257.3428 383.5672       191.8350 27.88309 12.03797 39.11935 11.14102 -11.23627 
16.40229 
1 1 1 22  24  5  o 24.22208 7.685811  -36.53438      160.8056 -29.35373      
247.0244 -41.81499      211.8363 25.23334 11.29676 23.21081 10.42449 2.022524 
15.37162 
1 1 1 22  24  6  f 51.17254 8.912682  675.2814       190.5719 608.8226       
284.3558 729.4709       256.7692 48.15120 13.51653 54.19389 11.62097 -6.042694 
17.82536 
1 1 1 22  24  7  o 28.71891 7.990359  144.9033       145.7957 -10.00569      
256.9524 218.4557       177.0569 26.31827 11.66646 31.11955 10.92140 -4.801279 
15.98072 
1 1 1 22  24  8  o 60.42579 6.888549  763.8583       161.1327 1064.227       
308.1512 650.8231       189.0356 67.11491 10.93619 53.73667 8.379034 13.37824 
13.77710 
1 1 1 22  24  9  o 23.69480 7.346027  -12.29763      140.5468 49.10338       
205.9113 -65.85569      192.3113 25.66637 10.91486 21.72323 9.834744 3.943132 
14.69205 
1 1 1 22  24  10 f 28.05191 8.118436  82.69132       152.8272 211.1602       
239.7593 -5.227810      198.3436 32.38927 12.46629 23.71456 10.40325 8.674713 
16.23687 
1 1 1 22  24  11 o 27.59866 8.244734  56.23498       167.5378 154.1564       
240.1241 -36.65055      233.8681 30.46002 12.25247 24.73730 11.03537 5.722717 
16.48947 
1 1 1 22  24  12 o 83.00193 6.686241  1581.617       231.7224 1675.703       
319.1797 1476.763       336.9521 86.05537 8.834428 79.94849 10.03873 6.106888 
13.37248 
1 1 1 22  24  13 o 31.40431 8.446496  187.1859       163.3919 300.0569       
213.7700 28.59684       253.3916 35.54987 12.03068 27.25875 11.85900 8.291113 
16.89299 
1 1 1 22  24  14 o 39.71437 9.215878  373.5366       177.4970 274.8982       
230.1676 518.2659       278.8045 34.61623 12.42137 44.81251 13.61761 -10.19628 
18.43176 
1 1 1 22  24  15 o 75.04970 6.743282  1269.113       209.1326 1150.410       
268.6625 1451.642       333.1505 71.04491 9.007309 79.05448 10.03772 -8.009567 
13.48656 
1 1 1 22  24  16 o 25.12629 7.922099  -34.86637      172.3326 -152.4597      
266.5494 49.59175       225.8953 23.77845 11.05465 26.47413 11.35048 -2.695679 
15.84420 
1 1 1 22  24  17 o 24.41172 7.764233  -69.08556      172.8480 -231.1072      
264.0956 52.32458       228.6136 22.23661 10.53376 26.58684 11.40934 -4.350227 
15.52847 
1 1 1 22  24  18 f 23.54823 7.770238  -151.1445      185.8892 -183.4799      
295.5851 -129.9890      239.0864 24.41141 11.44131 22.68505 10.51678 1.726358 
15.54048 
1 1 1 22  24  19 o 57.98485 7.636682  940.8123       144.8023 602.8235       
302.6930 1041.114       164.8941 46.94039 14.17401 69.02931 5.689745 -22.08892 
15.27336 
1 1 1 22  24  20 o 31.49460 8.565592  172.9288       129.5503 348.6628       
303.6101 133.8101       143.2455 37.16673 14.10634 25.82247 9.720523 11.34426 
17.13118 
1 1 1 22  24  21 o 33.01426 7.000150  308.8022       125.9482 -203.1874      
305.2022 413.8888       138.2709 24.12251 11.38358 41.90601 8.149995 -17.78350 
14.00030 
1 1 1 22  24  22 o 29.94636 8.268849  188.0357       124.2684 149.9425       
323.8658 194.6123       134.5687 31.28187 13.50492 28.61084 9.545287 2.671028 
16.53770 
1 1 1 22  24  23 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 22  24  24 o 21.09850 6.659739  -4.727064      114.9952 -52.07837      
205.7198 16.79317       138.6864 21.93630 10.00433 20.26069 8.793285 1.675604 
13.31948 
1 1 1 22  24  25 o 37.26285 8.006616  341.4720       124.1773 479.9958       
241.8598 291.8846       144.7062 40.80005 12.74157 33.72565 9.699279 7.074398 
16.01323 
1 1 1 22  24  26 o 24.28214 7.192965  92.17981       124.0182 -45.77589      
234.9450 145.4672       146.0188 22.99930 10.56926 25.56498 9.759394 -2.565674 
14.38593 
1 1 1 22  24  27 o 42.25770 7.327746  521.4349       129.2013 353.2174       
243.2057 587.5751       152.5004 34.50228 12.72927 50.01311 7.262866 -15.51083 
14.65549 
1 1 1 22  24  28 o 27.33400 7.649117  162.4870       112.0282 246.3088       
244.0637 140.1122       126.0968 30.20129 12.26930 24.46671 9.137851 5.734585 
15.29823 
1 1 1 22  24  29 o 43.07866 6.789723  548.2328       120.7312 338.7282       
207.5507 655.3770       148.4266 33.36887 11.81308 52.78845 6.697209 -19.41958 
13.57945 
1 1 1 22  24  30 o 30.19222 7.802283  269.7078       123.3717 246.4495       
252.0907 277.0327       141.4712 29.01863 12.19579 31.36581 9.734747 -2.347179 
15.60457 
1 1 1 22  24  31 o 48.42561 7.505034  664.9980       130.1540 763.1431       
271.5543 635.7280       148.2974 45.98405 13.30719 50.86717 6.944118 -4.883125 
15.01007 
1 1 1 22  24  32 o 20.94538 6.831376  39.27183       119.0627 76.75104       
257.7244 29.10257       134.2471 23.17037 10.80978 18.72038 8.355798 4.449982 
13.66275 
1 1 1 22  25  0  o 23.41723 6.951102  71.36742       115.9074 92.78189       
158.2113 46.55832       170.2900 23.98884 9.833786 22.84563 9.826900 1.143204 
13.90220 
1 1 1 22  25  1  f 21.93761 6.528924  51.52093       102.4914 65.28275       
144.8631 37.72804       145.0265 22.46036 9.330468 21.41486 9.135084 1.045498 
13.05785 
1 1 1 22  25  2  o 50.84381 7.045017  650.8651       137.9017 592.5329       
238.0608 680.3239       169.1765 47.10324 12.00127 54.58439 7.382315 -7.481155 
14.09003 
1 1 1 22  25  3  o 53.00380 7.645692  694.2621       159.1407 732.6358       
273.5524 674.6309       195.6576 52.30034 12.59091 53.70726 8.677301 -1.406921 
15.29138 
1 1 1 22  25  4  o 37.65314 9.100844  357.8963       167.6576 450.4136       
279.9725 306.1699       209.3438 40.51611 13.76812 34.79018 11.90548 5.725925 
18.20169 
1 1 1 22  25  5  o 32.39558 8.289874  236.4832       157.5821 58.60999       
240.8706 369.5783       208.3577 26.86807 11.62362 37.92310 11.82284 -11.05503 
16.57975 
1 1 1 22  25  6  o 24.00313 7.655339  -48.31263      164.7125 -13.42610      
234.8919 -82.06240      231.0333 24.87567 11.07933 23.13059 10.56718 1.745075 
15.31068 
1 1 1 22  25  7  o 22.17500 7.029119  -35.90776      135.0910 -135.3826      
223.8658 21.06066       169.4135 21.71174 10.10814 22.63825 9.770342 
-0.9265041     14.05824 
1 1 1 22  25  8  o 29.61398 7.092760  190.5895       125.1076 -79.12627      
216.3200 326.1461       153.3572 22.54964 10.27727 36.67831 9.777871 -14.12868 
14.18552 
1 1 1 22  25  9  o 29.89922 7.931807  122.0734       156.5480 -126.6040      
224.1467 358.8928       218.7372 21.98633 10.18904 37.81212 12.15885 -15.82579 
15.86361 
1 1 1 22  25  10 o 54.65932 7.677780  726.2564       169.7932 657.5175       
232.3506 805.0305       248.7334 51.69762 11.03043 57.62102 10.68283 -5.923393 
15.35556 
1 1 1 22  25  11 o 23.13987 7.375177  -62.22081      154.3975 20.45519       
202.1824 -177.8885      239.1441 24.44755 10.61386 21.83219 10.24300 2.615358 
14.75035 
1 1 1 22  25  12 o 33.26798 8.907326  244.7946       169.8611 284.4289       
209.2600 168.2356       290.8365 34.48498 11.89491 32.05098 13.26171 2.433998 
17.81465 
1 1 1 22  25  13 o 29.45966 8.252783  134.7228       163.0792 268.1525       
216.7403 -39.38313      247.5826 33.84128 12.06254 25.07804 11.26627 8.763239 
16.50557 
1 1 1 22  25  14 o 40.96315 8.902481  408.4063       169.2407 292.1046       
219.9893 577.0482       264.9056 34.84956 12.17910 47.07674 12.98793 -12.22718 
17.80496 
1 1 1 22  25  15 o 25.61265 8.110369  -21.65751      174.7396 -19.27396      
219.7926 -25.75202      288.0722 24.17276 10.74323 27.05255 12.15300 -2.879786 
16.22074 
1 1 1 22  25  16 o 30.27192 8.625081  165.6522       168.1579 165.3927       
249.4286 165.8683       227.6791 30.56980 12.40865 29.97404 11.98305 0.5957584 
17.25016 
1 1 1 22  25  17 o 26.37314 7.893355  55.21384       118.5593 195.3455       
282.7318 25.31546       130.5962 32.26063 13.17208 20.48565 8.701524 11.77498 
15.78671 
1 1 1 22  25  18 o 32.25671 8.396401  199.0329       121.8679 353.3907       
287.9211 165.3430       134.5114 37.29511 13.83195 27.21832 9.522363 10.07679 
16.79280 
1 1 1 22  25  19 f 44.45119 8.474757  512.7452       133.1214 462.7922       
360.3258 520.6411       143.2565 40.75364 15.39686 48.14875 7.086804 -7.395115 
16.94951 
1 1 1 22  25  20 o 27.38655 7.941307  129.6510       120.7307 71.23814       
303.6437 140.6196       131.5786 29.11698 12.82191 25.65613 9.373156 3.460852 
15.88261 
1 1 1 22  25  21 o 33.28513 8.262338  237.1041       119.0747 381.6969       
274.2883 203.5255       132.1798 37.48251 13.54880 29.08775 9.460180 8.394758 
16.52468 
1 1 1 22  25  22 o 25.47731 7.179595  120.6926       109.0776 97.63539       
204.5868 129.8499       128.9312 26.14212 10.98681 24.81249 9.245337 1.329626 
14.35919 
1 1 1 22  25  23 o 20.29878 6.195311  -29.69054      112.0613 -358.4659      
203.9909 112.4104       134.1095 16.61515 8.182884 23.98241 9.304188 -7.367254 
12.39062 
1 1 1 22  25  24 o 34.27873 7.781812  286.1535       119.1229 407.0671       
216.1599 233.4163       142.7566 38.18640 12.06773 30.37107 9.828342 7.815331 
15.56362 
1 1 1 22  25  25 o 46.61668 11.25273  590.3204       218.0439 590.3204       
218.0439 0.000000       0.000000 46.61668 11.25273 ?        ?        ? ? 
1 1 1 22  25  26 o 37.36581 7.699400  370.4767       121.2506 426.4004       
219.8943 346.0449       145.3429 38.20830 12.18141 36.52333 9.419990 1.684967 
15.39880 
1 1 1 22  25  27 o 26.90524 7.664876  152.5171       119.6315 221.4268       
237.8571 129.1827       138.4124 29.53796 12.07453 24.27252 9.444944 5.265440 
15.32975 
1 1 1 22  25  28 o 31.81209 7.398509  302.8084       122.4996 133.8446       
243.5816 360.0098       141.7264 26.66895 11.61515 36.95523 9.167335 -10.28628 
14.79702 
1 1 1 22  25  29 o 23.30616 7.295129  66.06847       121.2489 113.6666       
258.9437 52.70177       137.2216 26.00863 11.60696 20.60369 8.840482 5.404945 
14.59026 
1 1 1 22  25  30 o 26.42597 7.449779  191.0463       120.4729 121.1703       
251.8637 211.7766       137.1844 25.36837 11.38077 27.48357 9.616382 -2.115204 
14.89956 
1 1 1 22  25  31 o 39.18925 7.717777  435.6142       121.2309 655.1149       
231.2933 352.4694       142.3517 43.69396 12.16605 34.68454 9.499667 9.009422 
15.43555 
1 1 1 22  25  32 o 22.58341 6.883387  123.0638       118.6229 -38.20309      
260.9330 165.0756       133.1809 21.19123 10.17066 23.97558 9.278028 -2.784348 
13.76677 
1 1 1 22  26  0  o 24.45669 7.006228  100.1207       114.5631 177.0187       
166.1570 30.43665       158.1714 27.41712 10.42689 21.49627 9.361032 5.920847 
14.01246 
1 1 1 22  26  1  o 27.43583 7.442781  166.2053       122.2019 111.1130       
171.2295 223.3926       174.4549 25.02886 10.24027 29.84280 10.80356 -4.813940 
14.88556 
1 1 1 22  26  2  o 27.77418 7.356035  177.5056       115.1078 171.1644       
179.8745 181.9033       149.7961 27.80472 10.77781 27.74364 10.01418 
0.6108856E-01  14.71207 
1 1 1 22  26  3  o 28.41679 7.293817  177.1605       117.7828 80.20688       
165.1052 277.6330       168.0746 23.92738 9.951791 32.90620 10.66588 -8.978821 
14.58763 
1 1 1 22  26  4  o 25.48695 7.288847  19.71435       135.0575 275.0607       
206.6137 -170.7928      178.4637 32.94112 11.77380 18.03277 8.595748 14.90835 
14.57769 
1 1 1 22  26  5  o 33.19350 8.426067  270.4670       148.2865 326.2562       
228.8369 230.0837       194.6938 35.33458 12.41463 31.05242 11.39611 4.282162 
16.85213 
1 1 1 22  26  6  o 32.19325 8.716823  240.2369       165.0664 273.2300       
233.2115 207.1147       233.6674 33.41778 12.43771 30.96873 12.21619 2.449051 
17.43365 
1 1 1 22  26  7  o 64.27998 6.580495  973.5594       177.2202 1058.203       
255.1464 894.6577       246.3399 67.17044 9.047577 61.38952 9.557878 5.780918 
13.16099 
1 1 1 22  26  8  f 25.08110 7.091852  60.01255       126.2126 -111.2664      
182.9288 215.6253       174.3624 19.73655 9.168764 30.42565 10.82179 -10.68911 
14.18370 
1 1 1 22  26  9  o 19.37226 6.572614  -257.7899      153.9842 -141.4352      
222.6537 -364.4613      213.1877 21.39773 10.00783 17.34680 8.522925 4.050934 
13.14523 
1 1 1 22  26  10 o 26.77383 8.026415  77.71259       156.8003 108.5780       
224.1047 48.11165       219.4663 27.77482 11.57584 25.77285 11.12175 2.001974 
16.05283 
1 1 1 22  26  11 o 31.51047 9.000057  185.2354       183.1782 132.3760       
244.9582 252.2917       275.8993 29.24707 12.14039 33.77387 13.28966 -4.526794 
18.00011 
1 1 1 22  26  12 o 50.58688 8.746568  667.4191       185.3459 752.3571       
259.2369 578.5967       265.0986 54.51745 11.66512 46.65630 13.03590 7.861153 
17.49314 
1 1 1 22  26  13 o 51.24978 9.021676  700.7379       193.8570 772.1034       
256.2585 605.2535       296.4151 55.48407 11.39233 47.01549 13.99204 8.468582 
18.04335 
1 1 1 22  26  14 o 47.80807 8.537967  625.2966       191.5393 848.7467       
249.6459 305.5176       298.6476 59.82299 9.939794 35.79314 13.88481 24.02985 
17.07593 
1 1 1 22  26  15 o 47.45332 7.589983  506.5709       124.1801 647.7451       
282.9020 472.8779       138.2065 48.99824 13.37959 45.90840 7.170634 3.089844 
15.17997 
1 1 1 22  26  16 o 23.43010 7.267853  34.46644       118.3457 -88.57674      
274.8854 62.46204       131.1197 24.90239 11.43902 21.95780 8.968586 2.944588 
14.53571 
1 1 1 22  26  17 o 30.79828 8.453569  160.9490       132.9945 345.9281       
287.4180 110.5524       150.0214 36.70565 13.77861 24.89091 9.798024 11.81474 
16.90714 
1 1 1 22  26  18 o 29.70450 8.327168  132.7156       128.3320 332.0551       
287.9875 83.32400       143.3519 36.04124 13.72122 23.36777 9.439026 12.67347 
16.65434 
1 1 1 22  26  19 o 24.70546 7.762533  41.64845       124.6530 -10.58472      
322.9113 50.79516       135.1271 27.86331 12.66077 21.54762 8.985136 6.315699 
15.52507 
1 1 1 22  26  20 o 26.03056 7.347899  130.1669       115.1760 -11.46403      
252.8547 167.2462       129.3772 25.16634 11.34138 26.89478 9.345562 -1.728441 
14.69580 
1 1 1 22  26  21 o 36.67155 7.018434  363.8813       112.2381 241.9711       
200.1958 419.7654       135.5436 31.34487 11.55090 41.99824 7.975610 -10.65337 
14.03687 
1 1 1 22  26  22 o 36.25894 7.492610  292.1756       114.5123 513.9790       
214.5505 203.8211       135.4128 43.69886 11.52705 28.81902 9.575173 14.87985 
14.98522 
1 1 1 22  26  23 o 23.05789 6.818395  70.36550       112.5777 -47.58215      
201.6622 123.7641       135.6891 21.68740 9.894680 24.42837 9.383888 -2.740967 
13.63679 
1 1 1 22  26  24 f 28.10562 7.203220  196.9960       116.0934 50.81485       
212.1966 259.4429       138.6910 24.46159 10.74550 31.74964 9.595817 -7.288054 
14.40644 
1 1 1 22  26  25 o 22.86985 7.019957  37.82235       115.8100 126.0459       
210.1933 -0.6332471     138.7735 26.37019 11.11201 19.36952 8.581514 7.000666 
14.03991 
1 1 1 22  26  26 o 22.93961 9.330903  96.22918       141.3383 0.000000       
0.000000 96.22918       141.3383 ?        ?        22.93961 9.330903 ? ? 
1 1 1 22  26  27 o 20.75501 6.553682  -24.21707      126.9936 -259.2553      
214.6002 102.4475       157.5391 17.95674 8.755795 23.55329 9.753924 -5.596546 
13.10736 
1 1 1 22  26  28 o 23.40755 7.077270  65.25513       116.0151 192.6756       
207.1814 7.049224       140.0280 27.54986 11.26665 19.26524 8.568169 8.284626 
14.15454 
1 1 1 22  26  29 o 20.95813 6.814195  0.6830323      117.7195 38.14091       
246.0374 -10.43790      134.0603 23.73085 10.86785 18.18542 8.223312 5.545437 
13.62839 
1 1 1 22  26  30 o 20.75600 6.853089  -51.96766      116.1063 190.2632       
250.6288 -118.1578      131.0125 26.46750 11.65209 15.04450 7.217215 11.42300 
13.70618 
1 1 1 22  26  31 o 20.64783 6.755915  22.51501       108.3415 128.5971       
254.3790 -0.9918642     119.7451 24.19685 11.06843 17.09880 7.749801 7.098047 
13.51183 
1 1 1 22  27  0  o 30.93942 6.696892  249.8884       96.62669 197.6327       
134.7419 305.2136       138.6431 27.79027 9.548806 34.08857 9.392218 -6.298302 
13.39378 
1 1 1 22  27  1  o 28.61095 7.474506  196.4371       127.2444 72.24938       
187.2966 302.8881       173.4066 23.92509 10.29876 33.29681 10.83552 -9.371716 
14.94901 
1 1 1 22  27  2  o 21.93235 6.644364  -44.77660      115.2801 196.0881       
188.3922 -188.9508      145.7539 28.57284 11.03944 15.29186 7.397370 13.28098 
13.28873 
1 1 1 22  27  3  o 36.49661 7.764169  362.6093       129.1304 325.5042       
201.9016 388.2931       167.9784 34.48752 11.69195 38.50570 10.21899 -4.018173 
15.52834 
1 1 1 22  27  4  o 22.15587 6.809329  12.60432       122.6183 -88.34843      
178.7169 102.3940       168.5466 19.58890 9.085706 24.72284 10.14484 -5.133938 
13.61866 
1 1 1 22  27  5  o 37.15778 8.104568  361.1226       140.5253 275.7116       
187.9386 469.4243       211.6297 32.64392 11.27142 41.67163 11.64866 -9.027706 
16.20914 
1 1 1 22  27  6  o 26.85970 7.964473  62.04697       163.9442 -129.8829      
232.8801 250.6249       230.8376 21.72226 10.17638 31.99713 12.25450 -10.27487 
15.92895 
1 1 1 22  27  7  o 23.45214 7.299896  15.67326       137.5693 42.65017       
213.6552 -3.431725      179.8004 24.88251 10.85725 22.02177 9.760839 2.860735 
14.59979 
1 1 1 22  27  8  o 84.52618 5.679719  1654.234       196.4821 1645.219       
312.5695 1660.123       252.6365 83.41427 8.925392 85.63810 7.026680 -2.223831 
11.35944 
1 1 1 22  27  9  o 72.22926 6.626318  1215.142       198.3846 1000.140       
260.4908 1512.055       306.1156 64.57291 9.608666 79.88562 9.127208 -15.31271 
13.25264 
1 1 1 22  27  10 o 27.81618 7.846730  57.37640       157.2688 326.3718       
230.9011 -175.4008      214.7948 35.46224 12.46939 20.17012 9.528851 15.29212 
15.69346 
1 1 1 22  27  11 o 27.15793 8.351573  64.72009       177.3561 67.10084       
242.9277 62.00274       259.5340 26.92471 11.66097 27.39116 11.95896 
-0.4664536     16.70315 
1 1 1 22  27  12 o 65.00701 8.058586  1066.012       214.8168 1087.309       
296.7436 1042.564       311.3782 66.63175 10.60770 63.38227 12.13425 3.249481 
16.11717 
1 1 1 22  27  13 o 53.50276 7.169663  631.0955       137.7986 860.8375       
284.6816 560.7962       157.4763 57.37495 12.18598 49.63057 7.557654 7.744389 
14.33933 
1 1 1 22  27  14 o 35.00229 9.861939  295.4327       217.7447 281.9461       
311.3071 308.3508       304.6750 34.64765 13.94508 35.35692 13.94870 
-0.7092743     19.72388 
1 1 1 22  27  15 o 23.03122 7.250722  16.46771       123.3219 -86.34277      
273.4807 42.70945       138.1670 24.64824 11.35820 21.41421 9.015716 3.234032 
14.50144 
1 1 1 22  27  16 o 43.86706 8.009675  435.3448       119.4587 617.6526       
294.6493 399.4843       130.6806 46.53854 13.97071 41.19557 7.838293 5.342976 
16.01935 
1 1 1 22  27  17 o 51.27103 8.028602  640.1684       139.7798 737.9235       
320.0597 617.1288       155.3812 50.35954 14.40595 52.18252 7.092422 -1.822979 
16.05720 
1 1 1 22  27  18 o 20.64917 6.632462  -22.60652      113.6402 -221.8541      
252.0952 28.20728       127.3089 21.18326 10.12566 20.11507 8.569089 1.068184 
13.26492 
1 1 1 22  27  19 o 44.62340 7.078518  507.2822       117.9815 470.3309       
232.6163 520.0798       136.8962 41.31742 12.41526 47.92938 6.803160 -6.611954 
14.15704 
1 1 1 22  27  20 o 21.69027 6.830485  2.930941       120.9109 -137.2296      
236.6373 52.45195       140.6582 21.68485 10.17662 21.69569 9.113639 
-0.1083946E-01 13.66097 
1 1 1 22  27  21 o 23.34809 6.933037  66.24295       104.9174 115.1943       
197.9348 47.11520       123.7291 26.18940 10.89472 20.50680 8.577471 5.682600 
13.86607 
1 1 1 22  27  22 o 27.65507 7.460964  153.4589       113.2021 265.5175       
204.0335 103.6237       136.0652 31.84281 11.66819 23.46733 9.301463 8.375483 
14.92193 
1 1 1 22  27  23 o 30.01146 7.508139  228.5191       113.5805 230.7349       
204.3852 227.5290       136.6183 30.17348 11.53827 29.84943 9.610251 0.3240509 
15.01628 
1 1 1 22  27  24 o 30.85189 7.778450  235.9742       119.1730 320.2067       
217.8959 200.0242       142.3503 33.57793 12.08203 28.12585 9.800089 5.452072 
15.55690 
1 1 1 22  27  25 o 23.19761 7.032704  73.15291       115.0270 70.46278       
210.5753 74.29700       137.3258 24.50403 10.73461 21.89120 9.088666 2.612837 
14.06541 
1 1 1 22  27  26 o 20.18169 6.542449  -28.73400      116.3271 -14.29961      
212.9282 -34.87510      138.8855 22.25057 10.15663 18.11282 8.249695 4.137751 
13.08490 
1 1 1 22  27  27 o 21.22301 6.704003  27.31655       112.9130 -0.5541813     
217.7552 37.56618       132.0530 22.51382 10.27447 19.93220 8.614517 2.581621 
13.40801 
1 1 1 22  27  28 o 22.43943 8.952667  108.3704       126.8135 0.000000       
0.000000 108.3704       126.8135 ?        ?        22.43943 8.952667 ? ? 
1 1 1 22  27  29 o 29.56549 7.960416  137.6307       130.3313 602.0318       
265.8419 -9.306671      149.5351 40.30096 13.41617 18.83002 8.572003 21.47095 
15.92083 
1 1 1 22  27  30 o 18.72432 6.406888  -115.6644      123.0719 49.53947       
250.1324 -168.4336      141.3677 22.85009 10.65611 14.59854 7.116195 8.251551 
12.81378 
1 1 1 22  27  31 o 19.38848 6.474568  1.835840       95.14725 78.04960       
262.8676 -9.654667      102.0681 23.06760 10.80755 15.70936 7.132805 7.358246 
12.94914 
1 1 1 22  28  0  o 19.07301 5.887364  6.761194       91.47937 79.15078       
131.9937 -60.14841      126.8993 21.58947 8.933649 16.55654 7.670341 5.032932 
11.77473 
1 1 1 22  28  1  o 25.30327 7.216866  133.4923       121.5848 58.19178       
177.8964 199.4991       166.5569 22.78476 9.924839 27.82178 10.47999 -5.037025 
14.43373 
1 1 1 22  28  2  o 21.04228 6.311551  35.86682       102.0012 -60.37072      
149.3300 120.0418       139.6581 18.16090 8.377991 23.92365 9.442031 -5.762745 
12.62310 
1 1 1 22  28  3  o 33.49282 7.123067  286.1935       114.2139 167.5203       
153.4044 433.7961       171.0836 26.58001 10.04499 40.40564 10.10200 -13.82564 
14.24613 
1 1 1 22  28  4  o 36.40710 7.192918  352.7276       112.8228 359.2025       
143.4704 342.2348       182.6387 37.51829 9.172599 35.29591 11.08222 2.222378 
14.38584 
1 1 1 22  28  5  o 47.33786 6.354914  563.4190       121.7843 703.4655       
170.2368 416.6198       174.2927 54.95017 7.379137 39.72555 10.34834 15.22462 
12.70983 
1 1 1 22  28  6  o 25.18702 6.966821  114.5783       111.2376 206.0383       
161.1231 31.28405       153.7623 28.92851 10.39143 21.44554 9.282481 7.482967 
13.93364 
1 1 1 22  28  7  o 26.74778 7.713632  133.9706       135.6834 155.6942       
208.1365 117.9162       178.9290 27.83945 11.32343 25.65612 10.47761 2.183332 
15.42726 
1 1 1 22  28  8  o 24.75170 7.596029  -51.48565      138.2659 268.4228       
259.0535 -178.9222      163.5022 32.67477 12.87108 16.82863 8.070562 15.84614 
15.19206 
1 1 1 22  28  9  o 52.77384 8.556033  749.8579       182.6954 764.5270       
289.6670 740.1683       235.4261 51.97733 13.23546 53.57036 10.84644 -1.593037 
17.11207 
1 1 1 22  28  10 o 24.45670 7.488067  62.91143       115.1484 67.82755       
271.8076 61.83614       127.1191 27.48468 12.11461 21.42872 8.804592 6.055954 
14.97613 
1 1 1 22  28  11 o 22.58225 7.544086  -208.0211      192.2144 -43.23633      
275.2783 -364.8052      268.5124 25.24464 11.53372 19.91985 9.727607 5.324793 
15.08817 
1 1 1 22  28  12 o 28.49378 8.050721  142.7902       125.7550 258.4898       
263.5456 108.6805       143.0963 32.74098 12.95521 24.24657 9.561328 8.494408 
16.10144 
1 1 1 22  28  13 o 34.44928 8.545243  268.9965       126.3336 404.6931       
299.6510 239.6625       139.3210 37.83799 14.09539 31.06057 9.664608 6.777420 
17.09049 
1 1 1 22  28  14 o 22.97730 7.117314  35.60156       122.4864 -128.6362      
261.3551 81.82825       138.6567 23.07877 10.80627 22.87583 9.265482 0.2029381 
14.23463 
1 1 1 22  28  15 o 40.26800 8.140788  427.6149       130.7029 423.0271       
284.2465 428.8450       147.1861 38.48307 13.80420 42.05293 8.633289 -3.569851 
16.28158 
1 1 1 22  28  16 o 35.09142 6.642138  343.8922       113.5718 93.03722       
213.2374 443.2323       134.1882 26.18981 11.12150 43.99303 7.265267 -17.80322 
13.28428 
1 1 1 22  28  17 o 33.49576 7.939826  177.3377       123.2564 573.8857       
258.4243 60.56503       140.2348 44.98801 12.96936 22.00352 9.162910 22.98450 
15.87965 
1 1 1 22  28  18 o 40.37831 7.131096  425.6872       114.6376 374.0460       
222.9790 444.2409       133.6539 36.79425 12.28709 43.96237 7.241385 -7.168118 
14.26219 
1 1 1 22  28  19 o 35.56195 7.500402  348.6749       119.8838 251.0468       
231.3539 384.5122       140.1708 31.61732 12.22989 39.50659 8.686426 -7.889269 
15.00080 
1 1 1 22  28  20 o 30.64523 7.374489  243.3040       112.7779 199.0700       
196.3018 265.0972       137.7868 29.04659 11.25921 32.24387 9.526941 -3.197285 
14.74898 
1 1 1 22  28  21 o 39.32385 6.878592  412.4051       110.1531 339.5901       
204.5235 442.1569       130.7343 34.95084 11.76762 43.69686 7.126241 -8.746025 
13.75718 
1 1 1 22  28  22 o 35.06058 7.554039  286.4464       113.8139 487.7595       
213.0675 206.0706       134.6307 41.58424 11.70895 28.53692 9.547484 13.04732 
15.10808 
1 1 1 22  28  23 o 27.46608 7.518550  167.0902       114.7312 236.3696       
212.3098 138.5137       136.3557 30.10735 11.70126 24.82481 9.444302 5.282541 
15.03710 
1 1 1 22  28  24 o 23.37493 6.960882  -15.90747      113.4572 272.9475       
211.0945 -133.2469      134.5424 31.27431 11.79385 15.47555 7.397331 15.79876 
13.92176 
1 1 1 22  28  25 o 32.28117 6.604373  307.3848       119.1624 -12.38958      
215.6001 448.0343       142.9869 22.37893 10.21727 42.18342 8.371281 -19.80449 
13.20875 
1 1 1 22  28  26 o 20.81887 6.611272  20.61478       105.8297 10.79926       
218.8284 23.61138       120.9098 22.80732 10.37912 18.83043 8.192042 3.976883 
13.22254 
1 1 1 22  28  27 o 20.15281 6.409099  17.60612       106.9546 -92.49657      
219.8025 51.76305       122.4258 20.47164 9.660663 19.83397 8.424832 0.6376629 
12.81820 
1 1 1 22  28  28 o 28.53025 8.039193  220.7201       126.9809 328.3087       
271.1373 190.4930       143.7158 30.75782 12.77040 26.30268 9.768901 4.455137 
16.07839 
1 1 1 22  28  29 o 26.67101 8.205210  155.5728       138.1500 437.9673       
316.4706 89.09029       153.5533 31.68165 13.50393 21.66038 9.324468 10.02127 
16.41042 
1 1 1 22  28  30 o 23.37903 11.05142  65.08488       289.3092 0.000000       
0.000000 65.08488       289.3092 ?        ?        23.37903 11.05142 ? ? 
1 1 1 22  29  0  o 19.59271 5.829143  49.81300       85.49477 103.2322       
109.2760 -34.48528      137.2731 21.54912 8.390740 17.63631 8.093892 3.912807 
11.65829 
1 1 1 22  29  1  o 21.48339 6.585842  29.93457       112.5996 -60.65709      
150.3940 145.4898       169.8561 17.87445 8.307490 25.09233 10.22149 -7.217875 
13.17168 
1 1 1 22  29  2  o 32.50611 6.824102  272.9364       115.0817 88.78145       
159.2177 474.3917       166.5286 22.94344 9.669748 42.06878 9.631691 -19.12534 
13.64820 
1 1 1 22  29  3  o 28.58381 7.271307  215.5319       111.0142 235.3482       
167.1327 199.8861       148.5079 29.45189 10.58305 27.71572 9.974299 1.736160 
14.54261 
1 1 1 22  29  4  o 44.81715 6.794544  520.6019       124.2679 416.0663       
168.0436 646.7566       184.6042 39.24400 10.13239 50.39029 9.055277 -11.14629 
13.58909 
1 1 1 22  29  5  o 31.32375 7.336854  261.8153       114.1430 317.9436       
162.6017 207.2861       160.2686 34.18549 10.40176 28.46202 10.34993 5.723478 
14.67371 
1 1 1 22  29  6  o 17.81132 5.609211  -30.72912      90.60475 -202.5903      
159.0790 51.79136       110.2313 15.88895 7.693462 19.73369 8.164780 -3.844743 
11.21842 
1 1 1 22  29  7  o 30.33703 7.296555  227.5523       110.5443 314.5410       
174.2415 168.9524       143.0108 34.04814 10.84225 26.62593 9.767527 7.422213 
14.59311 
1 1 1 22  29  8  o 52.42963 5.914118  709.8955       100.4023 574.1099       
207.9924 751.1492       114.6440 46.32821 10.86929 58.53106 4.665371 -12.20284 
11.82824 
1 1 1 22  29  9  o 31.13815 7.787751  241.0189       110.5208 233.3635       
269.0390 242.5731       121.2215 31.19464 12.81164 31.08164 8.857654 0.1130009 
15.57550 
1 1 1 22  29  10 o 28.92782 7.997662  170.1680       113.7512 260.7989       
279.8972 152.2376       124.4960 32.24786 13.12625 25.60777 9.140673 6.640091 
15.99532 
1 1 1 22  29  11 o 66.93422 6.131193  1004.150       138.2323 1203.884       
312.9700 955.7427       154.0755 68.33433 10.90900 65.53410 5.599989 2.800224 
12.26239 
1 1 1 22  29  12 o 30.20743 8.082693  170.2899       121.4365 383.2303       
258.6155 110.0581       137.5430 36.54722 13.16142 23.86763 9.385986 12.67959 
16.16539 
1 1 1 22  29  13 o 78.66354 5.535849  1414.362       163.7735 1529.170       
311.7490 1370.600       192.4724 79.01710 9.397344 78.30999 5.854264 0.7071075 
11.07170 
1 1 1 22  29  14 f 34.18618 7.932383  302.1818       124.1475 333.2208       
231.7496 289.6896       147.0227 34.77239 12.46532 33.59996 9.813595 1.172432 
15.86477 
1 1 1 22  29  15 o 38.26012 7.284884  393.0628       117.3451 337.4582       
207.3298 419.2702       142.3371 35.11024 11.84807 41.41000 8.479465 -6.299759 
14.56977 
1 1 1 22  29  16 o 16.90873 5.746593  -146.4919      109.1398 -449.7391      
240.5930 -67.92196      122.4652 17.41750 8.644715 16.39997 7.573786 1.017529 
11.49319 
1 1 1 22  29  17 o 22.53225 7.032971  32.22056       119.2547 -36.37786      
242.4014 54.12570       136.9781 23.66591 10.81686 21.39858 8.991452 2.267336 
14.06594 
1 1 1 22  29  18 o 21.74377 6.867201  -40.22675      112.8484 141.0609       
221.6594 -103.6546      131.1119 27.43187 11.47778 16.05568 7.542834 11.37619 
13.73440 
1 1 1 22  29  19 o 28.86918 7.597670  209.4649       117.8708 108.5175       
257.2838 236.2809       132.6055 27.33575 11.92114 30.40262 9.422566 -3.066874 
15.19534 
1 1 1 22  29  20 o 26.51150 7.435531  149.1042       119.8664 187.6911       
195.6877 125.9318       151.6452 28.25540 11.16878 24.76761 9.818701 3.487789 
14.87106 
1 1 1 22  29  21 o 18.49719 6.126143  -79.54304      107.9412 -69.34068      
199.1659 -83.78604      128.4402 20.74202 9.609366 16.25235 7.601224 4.489674 
12.25229 
1 1 1 22  29  22 o 25.03106 7.276040  93.90633       119.4287 228.1757       
202.6983 22.50916       147.8095 29.55641 11.44441 20.50571 8.988246 9.050699 
14.55208 
1 1 1 22  29  23 o 53.32944 6.257983  710.7693       126.4354 722.7866       
221.7272 704.9789       153.9106 51.60925 10.59725 55.04964 6.659401 -3.440399 
12.51597 
1 1 1 22  29  24 o 31.85364 7.718189  264.8647       116.7222 374.8663       
212.1506 217.1117       139.7800 35.12978 11.98503 28.57750 9.728354 6.552275 
15.43638 
1 1 1 22  29  25 o 19.22664 6.345007  -77.47750      104.7240 68.18760       
213.0668 -123.8762      120.2517 23.95648 10.62103 14.49680 6.944790 9.459675 
12.69001 
1 1 1 22  29  26 o 20.85011 6.603379  20.88286       119.2421 -364.6630      
292.1038 97.97840       130.6213 19.62244 9.689855 22.07778 8.973581 -2.455341 
13.20676 
1 1 1 22  29  27 o 21.63346 6.974262  32.09460       132.0345 -146.3106      
288.3009 79.44469       148.5261 21.62129 10.44960 21.64564 9.239432 
-0.2434540E-01 13.94852 
1 1 1 22  29  28 f 21.08105 7.068094  -19.48181      133.3354 82.27240       
298.7817 -44.78554      148.9945 24.53120 11.49846 17.63090 8.222978 6.900299 
14.13619 
1 1 1 22  29  29 o 21.65907 7.064651  59.06155       135.1946 -41.48973      
307.2951 83.19509       150.5471 22.26998 10.76746 21.04815 9.148710 1.221828 
14.12930 
1 1 1 22  29  30 o 17.23239 6.047397  -178.6286      134.6010 -328.9157      
309.5030 -143.5745      149.4766 19.15403 9.547311 15.31075 7.425153 3.843274 
12.09479 
1 1 1 22  30  0  o 25.65808 11.25535  189.2272       232.1445 189.2272       
232.1445 0.000000       0.000000 25.65808 11.25535 ?        ?        ? ? 
1 1 1 22  30  1  o 16.83597 5.550535  -46.56434      88.99728 -24.45084      
158.2501 -56.79354      107.6307 18.73669 8.636372 14.93525 6.974729 3.801447 
11.10107 
1 1 1 22  30  2  o 20.60010 6.159404  50.26448       88.51242 135.5279       
150.3229 5.015299       109.5088 23.98943 9.675843 17.21077 7.624374 6.778660 
12.31881 
1 1 1 22  30  3  o 20.15065 6.100713  52.80180       89.86313 -30.29722      
172.2784 83.86282       105.3272 19.72046 9.057485 20.58084 8.175377 
-0.8603745     12.20143 
1 1 1 22  30  4  o 33.19832 6.861525  288.3448       97.35238 355.8202       
168.6441 254.6220       119.2230 35.28823 10.56459 31.10841 8.758518 4.179823 
13.72305 
1 1 1 22  30  5  o 37.73132 6.320683  408.0424       100.8776 245.9926       
178.5630 484.0065       122.2565 29.79051 10.91568 45.67213 6.375902 -15.88162 
12.64137 
1 1 1 22  30  6  o 23.83592 6.508824  125.6293       96.72834 9.944280       
176.3188 175.4358       115.6919 21.32694 9.546078 26.34491 8.850512 -5.017975 
13.01765 
1 1 1 22  30  7  f 26.85056 7.017093  135.6364       96.64860 308.9727       
187.4743 72.89330       112.7924 33.00078 11.26647 20.70033 8.368101 12.30045 
14.03419 
1 1 1 22  30  8  o 22.43323 6.189848  102.6162       87.25591 -90.03221      
193.9569 151.4985       97.70085 19.94474 9.333089 24.92173 8.133286 -4.976986 
12.37970 
1 1 1 22  30  9  o 22.03011 6.771661  15.41406       111.9628 138.4601       
192.4927 -47.49808      137.6410 26.21543 10.81358 17.84479 8.154027 8.370642 
13.54332 
1 1 1 22  30  10 o 30.14631 6.733716  239.4540       112.6560 28.85532       
184.7078 364.2016       142.1587 22.54469 9.955484 37.74792 9.069734 -15.20323 
13.46743 
1 1 1 22  30  11 o 25.90928 7.199257  148.7587       113.7158 54.04305       
217.6824 184.3071       133.3590 24.55999 10.83141 27.25856 9.486719 -2.698574 
14.39851 
1 1 1 22  30  12 o 25.07857 6.640671  122.8421       112.2847 -127.8878      
197.8282 242.0048       136.3814 19.55356 9.209105 30.60357 9.570080 -11.05001 
13.28134 
1 1 1 22  30  13 o 22.87335 6.802224  75.12565       109.7920 -6.241008      
196.6492 111.9755       132.3386 22.19959 10.00322 23.54711 9.220440 -1.347523 
13.60445 
1 1 1 22  30  14 o 27.17549 7.355285  53.41539       110.5546 409.1003       
230.2845 -53.11334      126.0275 37.37096 12.48675 16.98002 7.777020 20.39095 
14.71057 
1 1 1 22  30  15 o 45.54610 7.011715  501.9217       117.1853 609.1783       
236.4541 467.0010       134.9199 46.31970 12.04729 44.77249 7.177710 1.547215 
14.02343 
1 1 1 22  30  16 o 40.29979 7.917820  377.1426       128.5631 676.0909       
250.0213 269.6844       149.8990 48.62029 12.24629 31.97930 10.03972 16.64099 
15.83564 
1 1 1 22  30  17 o 29.51220 7.651443  227.3054       125.9718 154.5776       
212.3738 266.7841       156.4704 27.34269 11.32417 31.68172 10.29279 -4.339031 
15.30289 
1 1 1 22  30  18 o 55.83039 7.050379  900.0503       138.7747 573.0326       
250.7309 1044.471       166.6239 43.65825 12.83626 68.00253 5.836242 -24.34428 
14.10076 
1 1 1 22  30  19 o 23.13014 7.109546  61.17826       120.2577 41.47494       
226.5227 68.91077       141.9066 24.34798 10.86122 21.91231 9.176955 2.435669 
14.21909 
1 1 1 22  30  20 o 27.42721 7.776281  150.1833       129.5986 286.0805       
228.4304 85.67787       157.3790 31.75996 12.18267 23.09446 9.667722 8.665499 
15.55256 
1 1 1 22  30  21 o 24.32048 6.818352  -8.909637      106.9108 339.5839       
201.9962 -144.5211      126.0068 34.05238 11.69235 14.58859 7.017742 19.46378 
13.63670 
1 1 1 22  30  22 o 65.05812 5.500755  1050.624       135.4208 940.9396       
240.0980 1101.795       163.9955 60.40443 9.467621 69.71181 5.603336 -9.307388 
11.00151 
1 1 1 22  30  23 o 30.75529 7.942337  267.6929       125.9954 250.7080       
259.9591 272.9079       144.0449 29.97137 12.47789 31.53921 9.829814 -1.567841 
15.88467 
1 1 1 22  30  24 o 26.99862 7.835594  183.8198       140.4090 117.7106       
258.9164 211.3608       167.1162 26.13266 11.63585 27.86458 10.49728 -1.731918 
15.67119 
1 1 1 22  30  25 o 19.59251 6.667943  -103.6956      134.0466 -117.4338      
285.2611 -99.80231      151.8572 22.23507 10.66258 16.94995 8.009700 5.285120 
13.33589 
1 1 1 22  30  26 o 19.64142 6.592500  -55.63709      131.3561 -226.0257      
290.2686 -11.75807      147.3019 20.62349 10.08116 18.65935 8.497911 1.964142 
13.18500 
1 1 1 22  30  27 o 20.90394 6.940604  3.433118       130.9815 4.498118       
287.3311 3.153754       147.1613 23.04525 10.95015 18.76263 8.531251 4.282625 
13.88121 
1 1 1 22  30  28 o 20.25914 6.736851  5.236703       131.6281 -122.7624      
297.3372 36.43535       146.7959 21.08127 10.28418 19.43701 8.704951 1.644255 
13.47370 
1 1 1 22  30  29 o 23.01079 7.336695  117.2169       146.6467 -7.425407      
302.9873 155.3479       167.5835 22.37699 10.79305 23.64460 9.940750 -1.267612 
14.67339 
1 1 1 22  31  1  o 33.66943 9.076707  332.1299       131.2342 332.1299       
131.2342 0.000000       0.000000 33.66943 9.076707 ?        ?        ? ? 
1 1 1 22  31  2  o 28.89038 6.899626  249.2382       96.56204 277.5741       
163.8360 234.1561       119.5290 29.33387 10.48437 28.44689 8.972034 0.8869724 
13.79925 
1 1 1 22  31  3  o 19.87266 6.034453  59.80390       89.66110 -18.89283      
167.1534 91.59365       106.2381 19.20065 8.860021 20.54468 8.195031 -1.344025 
12.06891 
1 1 1 22  31  4  o 26.88170 6.779042  196.0824       93.11536 216.2432       
161.5790 186.0576       113.9375 27.48803 10.32850 26.27538 8.783148 1.212650 
13.55808 
1 1 1 22  31  5  o 23.17006 6.286000  119.2719       96.08236 -35.51060      
166.0602 197.1673       117.8041 19.19854 8.848366 27.14159 8.930936 -7.943052 
12.57200 
1 1 1 22  31  6  o 27.33208 6.995318  201.4360       101.5849 176.0311       
178.2286 213.6604       123.6329 26.42417 10.58620 28.24000 9.147141 -1.815834 
13.99064 
1 1 1 22  31  7  o 36.76934 6.801370  330.1258       97.63174 476.2469       
187.2475 275.5688       114.4154 40.83906 10.76680 32.69962 8.313276 8.139435 
13.60274 
1 1 1 22  31  8  o 21.53441 6.304273  76.43826       85.44228 89.46601       
163.6384 71.55522       100.1833 23.15978 9.784027 19.90904 7.952877 3.250746 
12.60855 
1 1 1 22  31  9  o 21.87658 6.590158  60.43902       109.9814 -115.6052      
214.0884 123.5553       128.1896 20.18807 9.529024 23.56509 9.105954 -3.377028 
13.18032 
1 1 1 22  31  10 o 24.43542 7.182047  98.89912       111.7964 186.0821       
207.8863 63.42673       132.6036 27.76313 11.30850 21.10771 8.856922 6.655415 
14.36409 
1 1 1 22  31  11 o 24.97502 7.333932  124.2751       121.5323 17.31625       
251.6875 156.7968       138.7842 24.39220 11.10860 25.55785 9.578378 -1.165653 
14.66786 
1 1 1 22  31  12 o 39.62255 7.187000  501.8825       132.0641 186.6896       
275.7798 595.6706       150.4347 28.96551 12.48297 50.27959 7.126519 -21.31408 
14.37400 
1 1 1 22  31  13 o 31.03231 8.001659  242.0249       126.1445 358.0418       
232.8098 193.8084       150.0854 34.47093 12.48020 27.59368 10.01753 6.877251 
16.00332 
1 1 1 22  31  14 o 25.04594 7.229808  127.8514       120.4742 67.24255       
202.5804 161.0158       149.8530 24.08555 10.54023 26.00633 9.898685 -1.920784 
14.45962 
1 1 1 22  31  15 o 22.90342 6.932230  66.67313       121.0036 -43.31646      
207.6510 123.2259       148.8967 21.51737 9.908444 24.28946 9.697730 -2.772097 
13.86446 
1 1 1 22  31  16 f 27.66053 7.503253  191.1252       119.1289 167.7859       
212.0769 201.8845       143.9930 27.37612 11.32581 27.94494 9.844860 
-0.5688229     15.00651 
1 1 1 22  31  17 o 29.46974 7.562975  234.9692       118.7149 184.6698       
221.3078 255.2904       140.6661 28.02893 11.58119 30.91055 9.729876 -2.881617 
15.12595 
1 1 1 22  31  18 o 29.48649 6.295359  236.9046       116.3823 -193.5419      
223.7163 396.6215       136.2741 19.39377 9.334504 39.57920 8.449450 -20.18543 
12.59072 
1 1 1 22  31  19 o 24.77381 7.232990  125.3805       114.7636 82.73125       
228.1431 139.8286       132.7873 25.05505 11.06413 24.49257 9.319320 0.5624866 
14.46598 
1 1 1 22  31  20 o 37.83438 7.289912  343.8880       114.0056 597.9281       
209.3900 236.8486       135.9178 45.96877 10.98375 29.70001 9.587932 16.26876 
14.57982 
1 1 1 22  31  21 o 26.88418 7.243524  184.3887       130.7320 -152.4583      
275.9979 281.8262       148.4406 21.88830 10.49429 31.88006 9.987215 -9.991760 
14.48705 
1 1 1 22  31  22 o 29.96421 8.475753  255.0324       151.2644 283.7225       
295.2891 244.8255       176.1281 30.57978 13.03954 29.34865 10.83162 1.231133 
16.95151 
1 1 1 22  31  23 o 23.10128 7.031086  54.52482       142.3119 -347.5307      
279.1931 195.6556       165.4141 19.29202 9.513842 26.91054 10.35526 -7.618521 
14.06217 
1 1 1 22  31  24 o 27.33758 8.214189  177.9640       145.2105 323.6031       
293.6820 130.8366       167.0609 30.60856 13.02643 24.06659 10.01018 6.541965 
16.42838 
1 1 1 22  31  25 o 25.24474 7.885705  119.1126       137.0762 299.1902       
296.4147 70.12540       154.6007 29.20804 12.76608 21.28143 9.260913 7.926609 
15.77141 
1 1 1 22  31  26 o 23.42372 7.678108  56.67586       138.8328 271.6981       
330.8127 10.70932       152.9542 27.71877 12.65560 19.12867 8.697648 8.590101 
15.35622 
1 1 1 22  31  27 o 21.72322 7.232689  -13.06236      129.6500 275.3300       
291.0977 -84.42566      144.8053 27.19325 12.21642 16.25320 7.746377 10.94005 
14.46538 
1 1 1 22  31  28 o 24.28186 7.703433  138.7531       138.6555 277.4079       
301.9268 101.6960       156.0883 26.93589 12.24018 21.62784 9.356784 5.308050 
15.40687 
1 1 1 22  32  3  o 21.72209 6.600886  103.5609       88.53668 57.42048       
254.7570 109.8992       94.42226 22.58233 10.59082 20.86185 7.881715 1.720478 
13.20177 
1 1 1 22  32  4  o 17.07099 5.693074  -31.95743      93.04073 -291.1150      
241.4924 13.21628       100.8241 17.58969 8.715995 16.55229 7.326378 1.037403 
11.38615 
1 1 1 22  32  5  o 23.39706 7.262997  60.57533       95.31318 335.1499       
260.9533 18.30598       102.3872 29.82279 12.46430 16.97133 7.459609 12.85146 
14.52599 
1 1 1 22  32  6  f 56.75056 7.455630  806.4359       116.8738 1128.793       
327.9710 759.5457       125.0856 55.96926 13.98309 57.53185 5.178691 -1.562584 
14.91126 
1 1 1 22  32  7  o 18.00835 6.146224  -56.00451      96.23669 -204.6154      
282.5259 -36.49810      102.3579 20.75122 10.10546 15.26549 6.998856 5.485732 
12.29245 
1 1 1 22  32  8  o 33.80896 7.166739  312.5539       86.67423 324.4471       
289.8491 311.3860       90.83036 31.01507 13.05804 36.60285 5.910676 -5.587784 
14.33348 
1 1 1 22  32  9  o 27.48443 7.235322  214.5573       111.1880 -1.144158      
295.9326 250.0120       119.9784 24.43212 11.45049 30.53674 8.847930 -6.104614 
14.47064 
1 1 1 22  32  10 o 19.72207 6.463941  -8.067130      106.6985 -233.6582      
280.7256 30.02497       115.3556 20.78313 10.10924 18.66102 8.058129 2.122112 
12.92788 
1 1 1 22  32  11 o 22.28082 7.138615  48.64651       113.8872 -109.5036      
323.8299 70.96809       121.6591 23.83912 11.41456 20.72252 8.575961 3.116598 
14.27723 
1 1 1 22  32  12 f 33.92630 8.115385  323.4408       118.9244 376.9878       
298.8734 313.3678       129.6286 33.39063 13.57312 34.46197 8.899900 -1.071342 
16.23077 
1 1 1 22  32  13 o 27.66409 8.025757  144.5461       108.3945 348.6941       
300.1830 113.9361       116.2371 32.69321 13.49698 22.63497 8.688069 10.05824 
16.05151 
1 1 1 22  32  14 o 28.49207 8.072233  204.5788       133.5037 249.2397       
270.0534 190.1338       153.5837 29.93957 12.60469 27.04457 10.08789 2.894997 
16.14447 
1 1 1 22  32  15 f 25.92957 7.626933  134.7885       125.5761 217.9937       
236.3576 102.0644       148.2274 28.78489 11.93551 23.07425 9.498631 5.710636 
15.25387 
1 1 1 22  32  16 o 28.00766 7.755771  122.8136       124.6376 428.3662       
243.3262 14.12850       145.1212 36.22702 12.79418 19.78830 8.770234 16.43872 
15.51154 
1 1 1 22  32  17 o 21.32723 6.877409  7.789666       118.3223 7.581647       
248.3925 7.850722       134.5712 23.64646 10.86702 19.00801 8.432255 4.638447 
13.75482 
1 1 1 22  32  18 o 51.21336 7.531163  675.6800       127.9629 833.1528       
293.6516 638.7682       142.1713 50.23613 13.59315 52.19059 6.488449 -1.954464 
15.06233 
1 1 1 22  32  19 o 39.59235 7.583763  420.6933       114.3018 530.9820       
241.8690 388.9802       129.6983 40.17174 12.77237 39.01296 8.180491 1.158783 
15.16753 
1 1 1 22  32  20 o 24.51978 7.384045  116.3693       114.4332 146.6742       
255.6829 108.7785       127.9650 26.54400 11.71839 22.49556 8.987531 4.048445 
14.76809 
1 1 1 22  32  21 f 21.71833 6.932815  24.10493       136.3457 -172.2963      
259.8633 98.71096       160.1622 20.56248 9.934947 22.87418 9.672254 -2.311703 
13.86563 
1 1 1 22  32  22 o 36.23158 8.570820  387.4490       141.1734 614.4159       
267.8646 300.1603       166.1166 40.98496 13.46711 31.47821 10.60531 9.506748 
17.14164 
1 1 1 22  32  23 o 28.08757 7.970163  247.4844       142.8931 185.5362       
274.8751 270.4248       167.2713 26.60229 11.91293 29.57285 10.59132 -2.970558 
15.94033 
1 1 1 22  32  24 o 26.00188 7.734932  200.4759       143.2175 109.7847       
283.4021 231.5799       165.9696 24.65979 11.43909 27.34396 10.41460 -2.684164 
15.46986 
1 1 1 22  32  25 o 25.19916 8.058750  -103.5360      147.8125 669.9376       
333.5822 -292.5052      164.8829 36.27269 14.50318 14.12563 7.030751 22.14707 
16.11750 
1 1 1 22  32  26 o 19.38583 6.560454  -49.59882      139.6651 -99.04484      
269.3662 -31.41829      163.3356 20.53849 9.962658 18.23318 8.538366 2.305313 
13.12091 
1 1 1 22  33  5  o 25.44160 5.912982  199.5906       84.63605 38.64681       
161.6655 260.3567       99.33694 19.87380 9.006271 31.00941 7.664235 -11.13561 
11.82596 
1 1 1 22  33  6  o 19.47476 6.084113  54.37069       83.77398 43.58597       
191.7122 56.91607       93.13681 20.98239 9.602530 17.96713 7.473761 3.015263 
12.16823 
1 1 1 22  33  7  o 31.32164 7.010928  301.6778       97.50304 312.1707       
204.5642 298.5932       110.9124 29.52851 11.48387 33.11476 8.045690 -3.586246 
14.02186 
1 1 1 22  33  8  o 18.64798 6.006259  22.92035       82.26485 -6.142950      
206.5779 28.39801       89.68278 20.69179 9.662920 16.60417 7.136425 4.087616 
12.01252 
1 1 1 22  33  9  o 27.97863 7.192990  197.4496       95.64127 352.1668       
199.9975 151.5774       108.9005 32.10117 11.57274 23.85609 8.545642 8.245073 
14.38598 
1 1 1 22  33  10 o 16.96266 5.567059  -41.99168      93.40291 -289.5349      
204.3768 23.35987       105.0108 16.45345 8.120208 17.47187 7.617795 -1.018417 
11.13412 
1 1 1 22  33  11 o 26.78068 6.735549  212.7910       103.9810 8.804661       
231.8841 264.1318       116.3328 22.36207 10.36326 31.19929 8.606587 -8.837217 
13.47110 
1 1 1 22  33  12 o 24.17139 6.899092  124.0942       97.87090 212.6408       
187.9179 91.13596       114.6475 27.31391 10.89795 21.02887 8.463136 6.285048 
13.79818 
1 1 1 22  33  13 o 23.34936 6.868183  75.91402       98.68732 247.7917       
196.9545 18.29477       114.0355 28.74498 11.24992 17.95373 7.882070 10.79124 
13.73637 
1 1 1 22  33  14 o 22.36628 6.279725  97.68373       102.1432 -162.9795      
200.7881 188.6918       118.6419 18.24964 8.798344 26.48292 8.962640 -8.233280 
12.55945 
1 1 1 22  33  15 o 32.48830 7.018375  318.4709       104.3499 241.5630       
211.1478 343.3248       120.0326 28.55889 11.48874 36.41771 8.064686 -7.858820 
14.03675 
1 1 1 22  33  16 o 30.39935 7.089808  281.1902       109.2973 176.8416       
209.8078 320.0553       128.0437 26.35992 11.10447 34.43878 8.817721 -8.078861 
14.17962 
1 1 1 22  33  17 o 28.01740 6.908095  229.7052       119.0925 -19.21088      
219.8998 333.0144       141.6668 21.58313 10.03665 34.45168 9.494885 -12.86856 
13.81619 
1 1 1 22  33  18 o 22.43506 6.897542  84.60151       118.6513 -101.7536      
260.4382 133.4114       133.2871 21.40928 10.24761 23.46084 9.235305 -2.051565 
13.79508 
1 1 1 22  33  19 o 23.68562 7.414915  21.44061       115.8472 338.8767       
264.0991 -54.19125      128.9113 30.89236 12.69149 16.47888 7.671366 14.41349 
14.82983 
1 1 1 22  33  20 o 22.56873 7.030239  88.84591       112.4407 63.51070       
259.9103 94.67924       124.7152 23.85411 11.02287 21.28334 8.728881 2.570774 
14.06048 
1 1 1 22  33  21 o 21.96618 7.092834  54.53150       132.3222 41.21297       
264.4816 58.97829       152.8238 23.23438 10.87763 20.69798 9.105513 2.536400 
14.18567 
1 1 1 22  33  22 o 30.95063 8.503479  300.3092       145.5587 549.1584       
274.0056 202.4750       171.8053 35.97084 13.46305 25.93042 10.39149 10.04041 
17.00696 
1 1 1 22  33  23 o 18.20217 6.221667  -123.1504      141.8759 -257.2665      
256.4602 -64.00463      170.3104 18.44915 9.102997 17.95519 8.483633 0.4939575 
12.44333 
1 1 1 22  33  24 o 23.76460 7.491703  102.3943       143.1048 302.5643       
248.8741 3.519574       174.9133 28.03442 11.96308 19.49477 9.021486 8.539644 
14.98341 
1 1 1 22  34  8  o 19.71827 6.033519  71.33514       81.00047 15.22642       
192.3388 83.43162       89.30609 20.26228 9.408623 19.17426 7.555873 1.088028 
12.06704 
1 1 1 22  34  9  o 24.42056 6.295489  179.1826       86.70994 65.13517       
191.9577 208.4190       97.19070 21.43777 9.746540 27.40336 7.971053 -5.965590 
12.59098 
1 1 1 22  34  10 o 23.43941 6.868675  105.9744       97.83892 289.0546       
195.7696 45.02395       112.9570 28.55882 11.20807 18.32000 7.943179 10.23882 
13.73735 
1 1 1 22  34  11 o 24.50319 6.581579  177.3884       96.01746 72.04476       
199.5413 209.1296       109.5320 21.95573 9.970069 27.05066 8.594561 -5.094933 
13.16316 
1 1 1 22  34  12 o 28.67988 7.032654  258.1516       100.4360 230.6134       
210.6373 266.2550       114.2615 26.63344 11.16858 30.72633 8.549601 -4.092894 
14.06531 
1 1 1 22  34  13 o 19.72502 6.358370  28.88247       101.9360 17.66899       
215.6083 32.11049       115.6814 21.34280 9.930034 18.10724 7.944173 3.235556 
12.71674 
1 1 1 22  34  14 o 20.27576 6.219057  48.73856       107.5992 -165.1509      
198.6014 137.6074       128.0154 17.57203 8.533342 22.97949 9.049240 -5.407461 
12.43811 
1 1 1 22  34  15 o 47.52985 6.262654  592.1489       103.3774 674.7259       
213.3090 566.8000       118.1841 46.13744 11.12539 48.92225 5.754051 -2.784801 
12.52531 
1 1 1 22  34  16 o 32.99981 7.031947  313.3552       97.80943 390.8652       
187.7040 284.4644       114.5973 33.93203 11.27337 32.06758 8.408586 1.864452 
14.06389 
1 1 1 22  34  17 o 21.44180 6.814337  50.87177       106.4424 163.9004       
231.1982 20.46974       119.9062 24.97898 11.07038 17.90462 7.949047 7.074356 
13.62867 
1 1 1 22  34  18 o 19.69686 6.269058  28.22005       111.3435 -143.7994      
216.0877 90.40102       129.9182 18.51989 8.967246 20.87383 8.763152 -2.353945 
12.53812 
1 1 1 22  34  19 o 21.25248 6.876278  55.29438       125.7264 -17.67967      
268.7060 75.74824       142.2593 21.89672 10.46364 20.60825 8.924409 1.288469 
13.75256 
1 1 1 22  34  20 o 20.41202 6.603315  40.32495       115.4358 29.25694       
229.1205 44.09015       133.6359 21.65770 10.13678 19.16635 8.465264 2.491352 
13.20663 
1 1 1 22  34  21 o 21.92964 6.903762  83.89383       133.4690 -41.57062      
217.9999 159.1217       168.8051 19.99494 9.518405 23.86433 10.00238 -3.869389 
13.80752 
1 1 1 22  34  22 o 31.76064 8.501934  399.8190       156.7897 384.4279       
258.1979 408.8098       197.3405 30.11790 12.48068 33.40337 11.54834 -3.285473 
17.00387 
1 1 1 22  35  15 o 30.46235 7.672312  316.4717       116.8994 337.5869       
268.6710 311.5408       129.8332 28.57484 12.31790 32.34986 9.150242 -3.775021 
15.34462 
1 1 1 22  35  16 o 15.94030 5.562971  -149.5721      110.6145 -402.5630      
270.3682 -98.71246      121.2243 17.35995 8.679977 14.52065 6.960215 2.839310 
11.12594 
1 1 1 22  35  17 o 19.15988 6.271540  20.26389       105.4928 -217.7027      
283.7435 58.43343       113.6388 19.50565 9.612451 18.81411 8.057894 0.6915340 
12.54308 
1 1 1 23  -17 0  o 25.51769 7.393566  170.5470       128.2062 70.74840       
167.1625 313.1079       199.7914 21.24142 9.413686 29.79396 11.40359 -8.552544 
14.78713 
1 1 1 23  -17 1  o 20.86693 6.541157  48.42096       119.5544 148.7343       
164.7472 -63.17334      173.7639 23.61545 9.888990 18.11842 8.564742 5.497025 
13.08231 
1 1 1 23  -17 2  o 20.82256 6.792610  32.20063       132.7288 17.79672       
163.4989 60.03977       227.3016 19.47130 8.892983 22.17382 10.27001 -2.702515 
13.58522 
1 1 1 23  -17 3  o 24.22706 7.318846  168.8318       132.5713 192.4780       
167.6920 129.4229       216.4854 25.03324 10.16998 23.42087 10.52776 1.612366 
14.63769 
1 1 1 23  -16 0  o 23.79687 7.177830  42.31268       131.0737 -110.4679      
166.5643 290.7963       212.4207 17.42753 8.306528 30.16621 11.70840 -12.73869 
14.35566 
1 1 1 23  -16 1  o 31.42541 12.12195  337.4486       226.9589 337.4486       
226.9589 0.000000       0.000000 31.42541 12.12195 ?        ?        ? ? 
1 1 1 23  -16 2  o 34.94476 8.107235  312.0399       140.4951 129.7852       
167.7997 739.4055       256.9517 23.65009 9.945303 46.23941 12.80625 -22.58932 
16.21447 
1 1 1 23  -16 3  o 29.57673 7.927956  258.9045       132.7307 161.0130       
164.7368 440.0449       224.0916 24.50338 10.03792 34.65009 12.27396 -10.14671 
15.85591 
1 1 1 23  -16 4  o 19.24754 6.438083  -48.87133      135.5065 -29.66818      
175.3378 -77.35043      213.5268 18.98512 8.880057 19.50996 9.324175 
-0.5248413     12.87617 
1 1 1 23  -16 5  o 24.81014 7.567058  148.4474       141.4643 46.56409       
179.9565 313.2451       228.8713 20.77565 9.443229 28.84463 11.82653 -8.068983 
15.13412 
1 1 1 23  -16 6  o 24.53572 7.560481  149.3439       142.5629 58.99581       
180.4449 299.4112       232.5564 20.97737 9.510243 28.09406 11.75580 -7.116692 
15.12096 
1 1 1 23  -15 0  o 34.68773 7.110950  345.9386       117.8212 455.6716       
158.8443 211.7238       175.6723 41.35101 9.365543 28.02444 10.70276 13.32658 
14.22190 
1 1 1 23  -15 1  o 32.92467 7.471262  312.9846       116.7332 314.9002       
154.9723 310.4723       177.4782 33.37897 10.15450 32.47038 10.96199 0.9085960 
14.94252 
1 1 1 23  -15 2  o 43.84762 8.906386  514.8264       183.9858 1131.929       
326.4742 227.6263       222.7217 59.14141 13.44878 28.55383 11.68011 30.58758 
17.81277 
1 1 1 23  -15 3  o 20.50706 6.696602  -28.17958      131.0620 -51.48136      
165.9418 10.45774       213.6805 18.80849 8.735725 22.20562 10.15209 -3.397125 
13.39320 
1 1 1 23  -15 4  o 43.37224 8.292127  538.0153       152.2475 377.9372       
187.2790 849.9764       261.4408 34.74540 11.25842 51.99908 12.17725 -17.25368 
16.58425 
1 1 1 23  -15 5  o 25.73410 7.685699  172.8250       143.2001 196.9363       
191.4970 142.2380       215.6848 26.46382 10.82870 25.00439 10.90959 1.459427 
15.37140 
1 1 1 23  -15 6  o 20.68305 6.752903  -47.41695      138.3264 -195.7103      
181.6207 157.4271       213.4599 16.43861 8.022629 24.92748 10.86482 -8.488871 
13.50581 
1 1 1 23  -15 7  o 30.87486 7.864080  275.1810       134.4103 120.6442       
167.4065 555.5229       225.4762 22.78194 9.769458 38.96777 12.32610 -16.18583 
15.72816 
1 1 1 23  -15 8  o 20.87334 6.790826  36.47175       133.1041 20.74076       
166.8561 63.99986       220.7254 19.65008 8.978456 22.09660 10.19061 -2.446527 
13.58165 
1 1 1 23  -14 0  o 24.64229 6.971803  124.7246       112.3773 179.4886       
151.1716 57.08152       168.0098 26.84637 10.00947 22.43820 9.707452 4.408171 
13.94361 
1 1 1 23  -14 1  o 57.17677 5.600152  789.9804       133.9743 757.2853       
180.9276 829.6707       199.3452 56.09970 7.681839 58.25383 8.150839 -2.154129 
11.20030 
1 1 1 23  -14 2  o 73.79918 5.130028  1307.970       154.8605 1610.016       
219.1180 1006.541       218.8939 83.53304 6.247996 64.06532 8.138262 19.46772 
10.26006 
1 1 1 23  -14 3  o 32.73430 8.218316  289.7509       142.2478 180.6721       
181.4492 463.6874       229.1292 27.00264 10.72910 38.46596 12.45188 -11.46332 
16.43663 
1 1 1 23  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  -14 5  o 22.14766 7.034675  -1.680275      137.5674 -104.8003      
181.0263 139.2675       211.6408 18.56130 8.761531 25.73402 11.00828 -7.172714 
14.06935 
1 1 1 23  -14 6  o 29.50417 7.677324  191.9081       137.3397 8.399586       
176.8165 471.0082       218.0594 20.79136 9.420635 38.21697 12.12505 -17.42560 
15.35465 
1 1 1 23  -14 7  o 34.22721 8.097483  345.5525       136.2358 235.8267       
171.6792 532.1584       223.8856 28.32258 10.64557 40.13184 12.20446 -11.80925 
16.19497 
1 1 1 23  -14 8  o 23.34231 7.287307  98.58376       134.9772 74.70926       
168.8752 140.8135       224.5992 21.82398 9.586463 24.86064 10.97812 -3.036665 
14.57461 
1 1 1 23  -14 9  o 25.42636 7.373278  183.2935       136.8610 279.3586       
173.4023 24.58105       222.8833 29.15754 10.74966 21.69520 10.09483 7.462339 
14.74656 
1 1 1 23  -14 10 o 20.92589 6.654350  62.84245       118.0111 66.22099       
143.8347 55.88400       206.4216 20.21987 8.864737 21.63192 9.926628 -1.412054 
13.30870 
1 1 1 23  -13 0  o 50.87212 6.327970  691.1174       123.8894 914.2979       
165.3883 405.7700       187.0094 63.39595 6.213900 38.34829 11.02544 25.04766 
12.65594 
1 1 1 23  -13 1  o 25.71633 6.739524  151.4577       98.95512 98.75921       
140.8394 202.8367       139.0648 23.17076 9.357388 28.26191 9.701753 -5.091145 
13.47905 
1 1 1 23  -13 2  o 29.65988 7.949254  188.7310       132.8014 95.69682       
162.5887 375.2065       230.1865 23.77633 9.881474 35.54343 12.45468 -11.76710 
15.89851 
1 1 1 23  -13 3  o 32.92504 7.750291  312.6308       134.0734 387.5368       
166.3939 173.9791       226.3821 37.85971 10.22692 27.99037 11.64810 9.869347 
15.50058 
1 1 1 23  -13 4  o 39.65111 7.907162  451.2224       135.4400 464.0679       
167.3111 426.8014       230.6909 41.93673 9.690145 37.36549 12.49776 4.571243 
15.81432 
1 1 1 23  -13 5  o 35.61293 8.325171  385.4757       149.1970 441.0613       
192.4703 301.7883       236.1632 39.22690 11.15555 31.99896 12.36072 7.227936 
16.65034 
1 1 1 23  -13 6  o 22.07121 10.27572  -50.91164      231.3664 -50.91164      
231.3664 0.000000       0.000000 22.07121 10.27572 ?        ?        ? ? 
1 1 1 23  -13 7  o 33.71082 8.084362  279.1512       147.4781 88.02006       
186.2179 600.7234       241.5433 23.69490 10.23513 43.72673 12.51678 -20.03183 
16.16872 
1 1 1 23  -13 8  f 22.88225 7.141930  36.96628       129.1902 -37.90895      
160.1625 176.4088       218.5695 18.92034 8.708108 26.84415 11.32243 -7.923815 
14.28386 
1 1 1 23  -13 9  o 26.76846 7.763876  165.6132       152.3868 -16.95882      
222.4128 327.1498       209.2079 21.74040 10.10363 31.79651 11.79100 -10.05612 
15.52775 
1 1 1 23  -13 10 o 24.60313 7.435129  142.8151       133.7783 181.1488       
212.3925 117.6059       172.2381 25.89500 11.05087 23.31126 9.950013 2.583738 
14.87026 
1 1 1 23  -13 11 o 21.90002 6.933672  17.74753       132.0023 234.2367       
211.6803 -120.0063      168.8551 26.87359 11.22850 16.92645 8.137815 9.947147 
13.86734 
1 1 1 23  -13 12 o 27.81356 7.484558  257.9742       144.7881 -0.9030517     
240.3280 405.4711       181.4048 21.29602 10.06949 34.33110 11.07609 -13.03508 
14.96912 
1 1 1 23  -12 0  o 63.52716 5.204247  948.5651       135.9597 1033.263       
181.6733 840.7397       204.9822 67.52591 6.408283 59.52842 8.201870 7.997490 
10.40849 
1 1 1 23  -12 1  o 58.28571 6.084533  820.0502       131.1385 819.7062       
157.0826 820.8415       238.2188 60.24288 6.210742 56.32853 10.46484 3.914352 
12.16907 
1 1 1 23  -12 2  o 39.26222 7.804545  438.0548       136.8731 496.2776       
169.2485 327.9976       232.6956 44.28142 9.389373 34.24302 12.46930 10.03840 
15.60909 
1 1 1 23  -12 3  o 72.43540 5.754220  1221.214       161.2677 1172.193       
193.0213 1334.540       293.4790 71.74400 6.408269 73.12681 9.559199 -1.382813 
11.50844 
1 1 1 23  -12 4  o 32.75143 7.937599  260.0043       129.5734 166.9118       
160.6592 433.2400       219.1629 26.78543 10.23357 38.71745 12.13655 -11.93202 
15.87520 
1 1 1 23  -12 5  o 20.98055 6.641920  -20.15792      121.2310 -94.53729      
162.5078 73.17909       182.0434 18.21478 8.527419 23.74632 10.18546 -5.531542 
13.28384 
1 1 1 23  -12 6  f 20.04860 6.519777  -55.97297      125.3415 -98.76735      
167.8231 -1.989120      188.4908 18.36304 8.609129 21.73415 9.793511 -3.371113 
13.03955 
1 1 1 23  -12 7  o 37.21656 12.82019  432.7372       243.0130 0.000000       
0.000000 432.7372       243.0130 ?        ?        37.21656 12.82019 ? ? 
1 1 1 23  -12 8  o 26.55227 8.115965  66.38084       163.4543 331.4512       
274.7849 -78.77303      203.3417 32.70929 13.12780 20.39524 9.546542 12.31404 
16.23193 
1 1 1 23  -12 9  f 18.77853 8.644597  -274.2244      138.8209 -1051.679      
291.1845 -45.54354      157.9231 ?        ?        18.77853 8.644597 ? ? 
1 1 1 23  -12 10 o 22.11637 6.926479  43.13564       130.0803 -53.72243      
208.5379 104.8255       166.4271 20.76821 9.702507 23.46452 9.887658 -2.696312 
13.85296 
1 1 1 23  -12 11 o 24.36296 7.315656  125.8653       133.2424 48.41678       
207.6972 180.0314       173.6952 22.68140 10.24707 26.04452 10.44380 -3.363115 
14.63131 
1 1 1 23  -12 12 o 27.36881 7.585309  225.1029       142.3644 32.19495       
235.6968 335.9077       178.6314 22.55163 10.44996 32.18599 10.99755 -9.634359 
15.17062 
1 1 1 23  -12 13 o 18.91602 6.496730  -198.1794      155.7056 61.84015       
244.5991 -375.3344      201.8965 22.75479 10.58297 15.07725 7.538625 7.677536 
12.99346 
1 1 1 23  -12 14 f 32.28078 7.450137  311.9163       171.7666 -242.9883      
263.7850 720.4063       226.3246 18.67110 9.217206 45.89046 11.70732 -27.21936 
14.90027 
1 1 1 23  -11 0  o 22.48066 6.632266  25.13529       117.1253 155.8102       
149.6525 -181.4490      188.1640 26.59632 9.950546 18.36501 8.771226 8.231302 
13.26453 
1 1 1 23  -11 1  o 26.62251 7.178035  152.2453       117.4252 218.6686       
138.7996 -14.98926      220.2375 29.74181 9.694180 23.50320 10.58866 6.238609 
14.35607 
1 1 1 23  -11 2  o 112.9016 6.270704  3007.961       274.5515 2937.188       
330.6921 3164.963       492.5425 113.4958 6.940090 112.3074 10.44615 1.188362 
12.54141 
1 1 1 23  -11 3  o 26.32658 7.256111  142.6254       122.2179 213.1816       
144.8034 -32.13004      227.8907 29.32529 9.901619 23.32787 10.60955 5.997419 
14.51222 
1 1 1 23  -11 4  o 37.06101 7.059518  376.4611       123.6323 513.4498       
161.1854 180.6961       192.6864 45.78209 8.700150 28.33994 11.12001 17.44215 
14.11904 
1 1 1 23  -11 5  o 34.07087 6.726659  289.3882       105.6876 169.4975       
144.0080 429.3446       155.5930 26.84138 9.805906 41.30037 9.210646 -14.45899 
13.45332 
1 1 1 23  -11 6  o 50.18552 6.572047  633.0577       133.8993 671.6625       
180.2247 585.4937       200.0471 53.11225 8.082405 47.25880 10.36542 5.853451 
13.14409 
1 1 1 23  -11 7  o 33.32813 7.120819  308.9347       112.8241 366.0529       
138.7838 197.6197       193.7439 38.07722 8.843238 28.57904 11.16340 9.498177 
14.24164 
1 1 1 23  -11 8  o 22.16888 7.228710  -28.38198      147.5231 -185.5203      
291.2370 25.85257       171.0974 22.55227 10.80478 21.78548 9.605925 0.7667942 
14.45742 
1 1 1 23  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  -11 10 o 21.62179 6.923334  -2.907070      132.5904 31.17988       
210.3321 -25.38528      170.8018 23.16243 10.39545 20.08115 9.146845 3.081285 
13.84667 
1 1 1 23  -11 11 o 19.26991 6.454080  -111.1670      138.2329 -134.2783      
213.0323 -94.35916      181.6730 19.64977 9.372432 18.89004 8.875703 0.7597332 
12.90816 
1 1 1 23  -11 12 o 19.51225 6.583955  -128.4105      150.2755 -160.6657      
228.3006 -103.7507      199.6189 19.65486 9.452710 19.36964 9.167341 0.2852211 
13.16791 
1 1 1 23  -11 13 o 22.54156 7.340938  21.95413       157.8136 53.04607       
251.5631 1.777665       202.6495 23.78196 10.93217 21.30116 9.800259 2.480797 
14.68188 
1 1 1 23  -11 14 f 26.91197 7.903675  221.1446       158.3234 59.70813       
249.5066 329.9619       204.8472 23.14005 10.73378 30.68390 11.60423 -7.543850 
15.80735 
1 1 1 23  -11 15 o 19.72029 6.673404  -73.75941      158.6827 -212.5396      
253.6019 15.53734       203.4261 18.75617 9.239056 20.68442 9.632090 -1.928242 
13.34681 
1 1 1 23  -10 0  o 38.83478 7.789123  395.0633       128.8617 413.2190       
154.1542 352.9464       234.7890 41.14872 9.161750 36.52084 12.59937 4.627872 
15.57825 
1 1 1 23  -10 1  o 49.26730 7.233661  681.1902       138.5586 817.4783       
168.3493 395.0113       243.9501 60.36087 6.643192 38.17373 12.85190 22.18715 
14.46732 
1 1 1 23  -10 2  o 33.47880 7.750870  295.1111       130.7431 355.7145       
159.1690 169.4062       229.2381 37.61155 9.931767 29.34604 11.90227 8.265511 
15.50174 
1 1 1 23  -10 3  f 26.11522 6.995811  126.1094       118.7721 236.8472       
149.1454 -65.85960      196.3711 30.93024 10.04898 21.30021 9.735682 9.630033 
13.99162 
1 1 1 23  -10 4  f 93.53546 4.991526  1983.214       191.9140 1953.130       
247.2377 2028.820       304.4097 93.37817 6.306529 93.69275 7.738799 
-0.3145752     9.983051 
1 1 1 23  -10 5  f 23.11633 6.933833  51.70636       119.7917 113.7120       
156.8258 -35.15019      185.6109 24.88843 9.947183 21.34423 9.662594 3.544197 
13.86767 
1 1 1 23  -10 6  o 64.23792 5.316874  974.0717       139.6387 1105.254       
187.9991 812.6346       208.5544 69.99177 6.397787 58.48407 8.493816 11.50770 
10.63375 
1 1 1 23  -10 7  o 43.14368 7.745353  502.5506       148.8744 307.2821       
209.4015 702.1254       211.6978 33.69964 11.87214 52.58772 9.950591 -18.88808 
15.49071 
1 1 1 23  -10 8  o 28.98510 7.474084  167.5624       137.9073 -51.11938      
199.5355 367.5517       190.8171 21.38346 9.790428 36.58673 11.29581 -15.20328 
14.94817 
1 1 1 23  -10 9  o 45.05105 7.900783  554.6896       148.7430 582.6479       
216.5171 529.7025       204.6895 46.06559 11.27199 44.03651 11.07392 2.029076 
15.80157 
1 1 1 23  -10 10 o 42.19897 8.272137  506.7540       150.6101 526.5890       
230.7905 492.0414       198.7683 42.30497 12.27601 42.09297 11.09111 0.2119980 
16.54427 
1 1 1 23  -10 11 o 26.08080 11.55930  89.97221       252.1145 89.97221       
252.1145 0.000000       0.000000 26.08080 11.55930 ?        ?        ? ? 
1 1 1 23  -10 12 o 27.86837 8.430639  141.2949       166.7372 323.9645       
289.5360 50.65652       203.9509 32.34171 13.28807 23.39503 10.37930 8.946682 
16.86128 
1 1 1 23  -10 13 o 26.27689 7.880334  140.3534       159.3976 -12.11871      
248.0554 247.5940       208.0334 23.14670 10.72368 29.40708 11.54995 -6.260386 
15.76067 
1 1 1 23  -10 14 o 26.72419 8.040735  180.8727       157.4869 154.4318       
247.5893 198.8404       204.0985 26.33337 11.58718 27.11502 11.15127 
-0.7816429     16.08147 
1 1 1 23  -10 15 o 32.77295 8.018608  341.1017       171.3505 -19.95713      
256.9770 630.1461       229.9258 22.20082 10.46758 43.34507 12.14998 -21.14425 
16.03722 
1 1 1 23  -10 16 o 24.62422 7.756187  159.6552       161.7195 142.6030       
253.7510 171.3187       209.8612 24.48343 11.15119 24.76501 10.78354 
-0.2815800     15.51237 
1 1 1 23  -10 17 o 26.06507 8.162469  213.2820       170.8087 343.9250       
281.5595 137.2025       214.8626 28.55745 12.46224 23.57270 10.54496 4.984749 
16.32494 
1 1 1 23  -9  0  o 39.73541 6.272745  451.9367       128.1965 696.8073       
156.8447 -40.87794      222.5068 55.93865 6.678500 23.53218 10.62012 32.40648 
12.54549 
1 1 1 23  -9  1  o 61.55036 5.961281  822.6948       134.1378 771.8962       
153.9003 983.2640       273.6179 59.08941 6.203703 64.01131 10.18143 -4.921906 
11.92256 
1 1 1 23  -9  2  o 21.14389 6.662101  -170.2005      124.2111 -348.9468      
155.0045 150.5453       207.6377 13.81034 6.865911 28.47744 11.41900 -14.66710 
13.32420 
1 1 1 23  -9  3  o 23.46773 6.915513  66.68356       111.0287 74.76341       
140.4956 53.24479       181.1928 22.89177 9.305861 24.04370 10.23221 -1.151930 
13.83103 
1 1 1 23  -9  4  o 29.19452 7.402997  196.8217       118.9581 253.0233       
155.4382 117.3701       184.8139 32.02537 10.24482 26.36368 10.68930 5.661686 
14.80599 
1 1 1 23  -9  5  o 61.68759 5.326597  837.8798       135.3153 666.6149       
174.2692 1097.915       214.7348 53.92354 7.697742 69.45164 7.364462 -15.52810 
10.65319 
1 1 1 23  -9  6  o 26.46671 7.004965  57.85484       119.4769 326.1729       
190.4083 -116.3977      153.4442 35.39017 11.34061 17.54325 8.226093 17.84692 
14.00993 
1 1 1 23  -9  7  o 34.43677 7.693671  298.4952       137.6685 123.3419       
198.1945 461.7943       191.3702 26.71644 10.98832 42.15710 10.77159 -15.44066 
15.38734 
1 1 1 23  -9  8  o 36.35851 8.118631  354.2534       138.5339 380.0138       
200.0316 330.5088       192.0453 37.50558 11.56246 35.21144 11.39992 2.294140 
16.23726 
1 1 1 23  -9  9  f 33.29043 7.974463  279.8492       129.9277 374.7050       
212.4620 223.1845       164.2122 36.75738 11.99382 29.82348 10.51268 6.933899 
15.94893 
1 1 1 23  -9  10 o 30.64923 7.801992  149.0678       149.4048 483.0620       
231.7342 -88.52325      195.4500 40.95598 12.40885 20.34249 9.460694 20.61349 
15.60398 
1 1 1 23  -9  11 o 57.22720 7.071883  826.5060       159.6118 895.4415       
265.3783 787.4357       199.7868 57.33519 11.42969 57.11922 8.331161 0.2159691 
14.14377 
1 1 1 23  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  -9  13 o 28.21035 8.560607  159.1475       168.0254 268.3477       
309.8803 113.6710       199.9750 31.19266 13.33111 25.22804 10.74325 5.964626 
17.12121 
1 1 1 23  -9  14 o 41.96953 11.40245  39.87691       174.4042 -1163.752      
327.2623 517.2989       206.1109 ?        ?        41.96953 11.40245 ? ? 
1 1 1 23  -9  15 o 20.13592 6.797867  -130.8430      157.0923 -65.20852      
248.5565 -174.4986      202.7119 21.97322 10.34104 18.29862 8.826487 3.674599 
13.59573 
1 1 1 23  -9  16 o 28.89538 8.122412  253.8921       162.3063 69.41215       
250.7736 386.8771       212.9162 24.02300 10.98924 33.76776 11.96373 -9.744761 
16.24482 
1 1 1 23  -9  17 o 22.79408 7.419900  65.81659       165.5103 -35.49121      
273.3540 124.4530       207.9639 21.91817 10.49298 23.66998 10.49367 -1.751804 
14.83980 
1 1 1 23  -9  18 o 23.20401 7.495344  98.98772       171.9676 -128.2997      
308.9712 200.9988       206.9921 21.10571 10.33643 25.30232 10.85721 -4.196617 
14.99069 
1 1 1 23  -8  0  o 39.18343 7.144799  367.3374       113.4006 353.0705       
138.4826 396.3777       197.5742 38.60399 8.745612 39.76286 11.30075 -1.158871 
14.28960 
1 1 1 23  -8  1  o 33.39362 8.008453  253.9590       127.6508 220.0727       
155.5673 323.7966       223.3318 30.66559 10.26304 36.12165 12.29680 -5.456059 
16.01691 
1 1 1 23  -8  2  o 25.70016 7.011001  90.75966       120.2797 223.1243       
160.3891 -79.34515      181.8222 30.85220 10.42088 20.54812 9.381996 10.30408 
14.02200 
1 1 1 23  -8  3  o 23.75052 6.918179  53.80268       118.0289 142.9408       
155.0535 -69.01373      182.0028 26.72359 10.09896 20.77744 9.458102 5.946144 
13.83636 
1 1 1 23  -8  4  o 29.13736 7.420702  167.9908       118.6575 81.62128       
155.0665 290.0103       184.3114 24.01024 9.771155 34.26448 11.17102 -10.25423 
14.84140 
1 1 1 23  -8  5  o 46.97173 8.290215  553.9725       159.5591 642.3665       
259.6161 500.3159       202.2701 49.39338 12.50195 44.55006 10.89091 4.843319 
16.58043 
1 1 1 23  -8  6  o 23.78434 7.431975  6.232872       144.0081 -13.65182      
228.2994 19.37325       185.5877 24.35516 10.88299 23.21352 10.12410 1.141636 
14.86395 
1 1 1 23  -8  7  o 34.60571 7.727539  290.4254       138.7896 114.3214       
197.3432 462.7782       195.2301 26.68700 10.96851 42.52442 10.88812 -15.83742 
15.45508 
1 1 1 23  -8  8  o 28.93777 7.794369  170.7244       139.2334 45.52674       
203.0063 281.9272       191.3239 24.57674 10.65218 33.29881 11.38155 -8.722063 
15.58874 
1 1 1 23  -8  9  f 32.50729 8.113029  248.6947       142.1022 391.5106       
215.3925 138.6264       189.0920 38.01868 12.04951 26.99590 10.86712 11.02278 
16.22606 
1 1 1 23  -8  10 o 35.89035 6.919075  285.9969       152.6065 -187.4711      
229.4087 661.8188       204.3881 20.42755 9.739274 51.35316 9.830614 -30.92561 
13.83815 
1 1 1 23  -8  11 o 64.64494 6.321367  1003.883       169.7787 1207.875       
250.6676 830.9890       230.7712 71.18324 8.387671 58.10665 9.459687 13.07659 
12.64273 
1 1 1 23  -8  12 o 18.56582 6.278104  -190.0320      140.4401 -287.3647      
210.1819 -111.5248      188.7646 17.67494 8.626796 19.45671 9.123417 -1.781769 
12.55621 
1 1 1 23  -8  13 o 27.76202 8.505795  136.2052       174.2210 135.7147       
314.8368 136.4218       209.1649 28.91971 12.85522 26.60434 11.14170 2.315371 
17.01159 
1 1 1 23  -8  14 o 23.77147 11.30924  -124.0749      307.3297 -124.0749      
307.3297 0.000000       0.000000 23.77147 11.30924 ?        ?        ? ? 
1 1 1 23  -8  15 o 69.82254 8.416991  1291.672       217.4062 1679.225       
416.8852 1146.899       254.7976 72.50902 14.20086 67.13605 9.039837 5.372963 
16.83398 
1 1 1 23  -8  16 o 20.99565 7.026774  -98.27116      159.6520 -19.57859      
251.6333 -151.2912      206.5481 23.03797 10.72215 18.95333 9.085026 4.084641 
14.05355 
1 1 1 23  -8  17 o 27.60369 7.786644  171.5227       170.7947 -262.5076      
289.0358 404.3869       211.7108 20.30795 9.960485 34.89944 11.97147 -14.59149 
15.57329 
1 1 1 23  -8  18 o 24.76836 7.890285  137.1175       177.8393 -13.89443      
308.5056 212.2728       217.6391 23.13278 11.09196 26.40395 11.22475 -3.271173 
15.78057 
1 1 1 23  -8  19 o 21.68425 7.248028  9.541931       176.2667 -131.4871      
304.3647 80.71151       216.2157 21.01107 10.28281 22.35743 10.21760 -1.346365 
14.49606 
1 1 1 23  -7  0  o 25.97214 7.458421  69.70578       112.8610 29.07483       
130.2734 191.9530       225.9678 20.77285 8.750457 31.17142 12.08063 -10.39857 
14.91684 
1 1 1 23  -7  1  o 64.52652 5.390626  951.3419       138.5784 1014.329       
174.9384 845.2314       227.0589 68.14643 6.114530 60.90661 8.879636 7.239822 
10.78125 
1 1 1 23  -7  2  o 23.00379 6.555608  42.07573       109.6657 155.6473       
138.4554 -149.1341      179.6513 27.06683 9.641718 18.94074 8.884890 8.126091 
13.11122 
1 1 1 23  -7  3  o 95.08648 4.645936  1997.532       182.6053 2035.442       
239.9362 1945.349       281.5013 96.57985 5.917391 93.59311 7.164032 2.986740 
9.291871 
1 1 1 23  -7  4  o 55.07220 5.811645  708.2121       123.1211 745.4775       
153.9717 642.1303       205.0354 58.26157 6.294768 51.88284 9.771221 6.378731 
11.62329 
1 1 1 23  -7  5  o 40.37033 8.519867  403.1334       151.5023 473.8138       
248.3289 361.2284       191.2100 42.67033 12.82892 38.07032 11.21479 4.600010 
17.03973 
1 1 1 23  -7  6  o 27.61126 7.977928  100.6967       146.2837 204.4932       
228.7452 28.87455       190.2786 31.27476 12.14763 23.94776 10.34526 7.326998 
15.95586 
1 1 1 23  -7  7  o 23.71640 7.061563  -14.10192      136.1231 -245.0625      
202.0876 177.7223       184.1715 18.41158 8.864215 29.02123 10.99492 -10.60966 
14.12313 
1 1 1 23  -7  8  o 26.47587 7.677096  107.0493       136.3189 130.9360       
199.3170 86.05653       186.8540 27.49492 11.12018 25.45683 10.58739 2.038090 
15.35419 
1 1 1 23  -7  9  o 25.05416 7.538980  61.71069       140.3763 7.193869       
204.6347 110.1676       192.9264 23.71174 10.47377 26.39657 10.84643 -2.684828 
15.07796 
1 1 1 23  -7  10 o 25.69262 7.587006  71.18389       145.5775 -81.22279      
221.4930 187.0917       193.1587 22.26771 10.24530 29.11752 11.19306 -6.849810 
15.17401 
1 1 1 23  -7  11 o 21.64558 6.994934  -59.61743      143.0266 -127.3518      
219.0469 -9.276986      188.8387 21.06698 9.869414 22.22417 9.915194 -1.157194 
13.98987 
1 1 1 23  -7  12 o 69.65045 5.659559  1130.921       164.9175 1250.738       
245.3927 1032.230       222.7107 72.98730 8.008207 66.31361 7.999439 6.673698 
11.31912 
1 1 1 23  -7  13 o 30.49981 7.988558  236.3059       135.0671 242.7989       
206.6346 231.4621       178.4724 30.83527 11.65672 30.16435 10.92653 0.6709118 
15.97712 
1 1 1 23  -7  14 o 22.63665 7.159887  -21.63562      151.6229 -454.6217      
305.7542 119.5657       174.6042 20.08896 9.918652 25.18435 10.32842 -5.095388 
14.31977 
1 1 1 23  -7  15 o 31.13814 11.87505  267.6322       216.0114 0.000000       
0.000000 267.6322       216.0114 ?        ?        31.13814 11.87505 ? ? 
1 1 1 23  -7  16 o 43.59215 9.129478  614.5743       178.8848 559.1790       
321.0446 639.5165       215.4249 39.36255 14.60449 47.82175 10.95894 -8.459198 
18.25896 
1 1 1 23  -7  17 o 21.03585 7.058913  -110.5998      168.2576 -274.6271      
289.9074 -27.28321      206.6175 20.68072 10.10115 21.39097 9.863048 
-0.7102566     14.11783 
1 1 1 23  -7  18 o 23.94589 7.661007  57.29015       172.3363 -172.1929      
309.8987 160.0315       207.3562 22.08056 10.70294 25.81123 10.96409 -3.730671 
15.32201 
1 1 1 23  -7  19 o 22.77916 7.523348  35.76661       174.1035 -27.42964      
300.2412 67.78260       213.7018 22.91226 10.97563 22.64607 10.29265 0.2661858 
15.04670 
1 1 1 23  -7  20 o 26.23151 7.685331  159.2033       177.9656 -343.6601      
296.3933 442.7090       222.5483 18.75276 9.346687 33.71027 12.20232 -14.95751 
15.37066 
1 1 1 23  -6  0  o 33.06252 7.547772  264.9207       121.8313 318.9168       
144.3346 131.1131       227.2113 36.79164 9.327380 29.33339 11.86909 7.458244 
15.09554 
1 1 1 23  -6  1  o 23.06220 6.899852  26.48620       118.2073 91.51469       
155.8777 -61.51875      181.3367 24.88555 9.926616 21.23885 9.586143 3.646696 
13.79970 
1 1 1 23  -6  2  o 71.36636 4.736610  1127.599       139.8555 1209.110       
187.4604 1025.281       210.0293 74.60726 5.984798 68.12546 7.343303 6.481804 
9.473221 
1 1 1 23  -6  3  o 53.41247 4.996352  622.4819       110.7812 589.8477       
144.7158 668.6750       172.1740 51.88419 6.643575 54.94075 7.464386 -3.056564 
9.992704 
1 1 1 23  -6  4  o 56.34676 6.993683  725.8656       160.3339 837.5588       
252.9811 650.8824       207.2796 60.14882 10.01802 52.54469 9.761437 7.604130 
13.98737 
1 1 1 23  -6  5  o 37.24561 8.432833  324.3055       152.1563 461.3644       
230.5442 218.5313       202.5305 42.80708 12.22052 31.68414 11.62367 11.12295 
16.86567 
1 1 1 23  -6  6  o 40.99445 7.947234  357.8298       152.3188 710.8508       
248.1917 144.5265       192.9238 53.70048 11.35812 28.28842 11.11878 25.41206 
15.89447 
1 1 1 23  -6  7  o 33.58709 8.189622  266.2739       140.9504 312.2690       
202.0555 222.6759       196.7196 35.65386 11.69640 31.52032 11.46620 4.133537 
16.37924 
1 1 1 23  -6  8  o 35.07029 8.109254  302.4708       139.7068 239.0105       
201.2941 361.4489       194.0552 32.17239 11.60903 37.96818 11.32565 -5.795784 
16.21851 
1 1 1 23  -6  9  f 29.18939 7.773626  158.1917       142.3308 -11.42575      
212.3978 296.4394       191.7537 23.82266 10.57763 34.55611 11.39433 -10.73345 
15.54725 
1 1 1 23  -6  10 o 24.79708 7.588799  41.07222       144.2674 47.17226       
218.6945 36.37244       191.9597 25.54844 11.06448 24.04572 10.38926 1.502718 
15.17760 
1 1 1 23  -6  11 o 23.25487 7.249996  -78.73934      140.2173 168.6233       
230.5412 -223.9649      176.6457 29.47969 11.94444 17.03005 8.220713 12.44963 
14.49999 
1 1 1 23  -6  12 o 27.18824 7.715973  141.2472       133.4371 140.0412       
204.4043 142.1429       176.1495 27.56450 11.21815 26.81198 10.59708 0.7525272 
15.43195 
1 1 1 23  -6  13 f 26.88818 7.499859  129.5313       134.9243 -18.07459      
203.9405 244.4277       179.9305 22.64465 10.19630 31.13172 11.00123 -8.487062 
14.99972 
1 1 1 23  -6  14 o 41.90445 7.588571  449.3619       142.1527 703.7991       
216.1602 255.4732       188.6956 52.40437 10.18852 31.40452 11.24898 20.99985 
15.17714 
1 1 1 23  -6  15 o 33.42356 8.392797  309.6903       148.2661 289.3194       
208.6326 330.4754       210.7431 32.54691 11.81137 34.30021 11.92676 -1.753292 
16.78559 
1 1 1 23  -6  16 o 26.17296 8.158826  88.84661       175.2136 -57.26882      
312.9133 155.5835       211.4750 25.16160 11.78915 27.18432 11.28192 -2.022717 
16.31765 
1 1 1 23  -6  17 o 27.91313 12.89002  77.00320       354.6609 77.00320       
354.6609 0.000000       0.000000 27.91313 12.89002 ?        ?        ? ? 
1 1 1 23  -6  18 f 24.00054 10.51737  -173.2720      181.4490 -1223.302      
410.6098 81.53172       202.2700 ?        ?        24.00054 10.51737 ? ? 
1 1 1 23  -6  19 o 30.65792 8.151315  267.0070       181.0831 -162.9127      
302.1749 507.9137       226.1983 22.04278 10.66103 39.27305 12.33362 -17.23027 
16.30263 
1 1 1 23  -6  20 o 39.94224 8.953091  546.7319       216.7769 65.42757       
292.9366 1129.363       322.3003 24.23782 11.36533 55.64666 13.83692 -31.40884 
17.90618 
1 1 1 23  -6  21 o 23.81218 7.939108  89.43376       208.9931 101.4995       
299.0659 77.91755       292.1762 24.03730 11.32141 23.58706 11.13299 0.4502468 
15.87822 
1 1 1 23  -5  0  o 64.57766 5.277010  877.3864       134.0867 808.9091       
160.9060 1033.004       242.5653 61.06085 6.276686 68.09447 8.484725 -7.033627 
10.55402 
1 1 1 23  -5  1  o 21.71689 6.486742  -36.04146      117.2241 124.2262       
151.2091 -277.4512      185.5806 26.25829 9.958324 17.17549 8.315229 9.082806 
12.97348 
1 1 1 23  -5  2  o 53.56608 5.993266  626.5350       131.1171 585.4109       
165.0915 696.7881       215.7790 51.53066 7.630976 55.60150 9.243653 -4.070839 
11.98653 
1 1 1 23  -5  3  o 30.79152 8.076959  181.9177       147.6353 34.00409       
229.7991 285.8777       192.6537 26.58149 11.42405 35.00154 11.42104 -8.420055 
16.15392 
1 1 1 23  -5  4  o 63.20042 6.337022  935.4211       150.9884 823.6182       
257.9830 993.6696       186.2119 58.90625 10.83733 67.49459 6.571424 -8.588341 
12.67404 
1 1 1 23  -5  5  o 97.21590 5.804340  2113.146       236.3641 1988.436       
337.5374 2233.139       331.0945 94.15919 8.538472 100.2726 7.864855 -6.113411 
11.60868 
1 1 1 23  -5  6  o 45.50450 8.104577  493.1605       152.6915 599.2359       
243.2206 424.1592       196.1650 49.25787 11.88111 41.75113 11.02615 7.506737 
16.20915 
1 1 1 23  -5  7  o 97.18184 4.946078  2072.431       198.2299 2026.445       
256.3463 2140.831       312.6394 96.26484 6.342790 98.09885 7.591033 -1.834007 
9.892157 
1 1 1 23  -5  8  o 39.52105 8.104520  389.7892       143.3585 335.9155       
211.2970 435.7409       195.1441 36.95640 11.95696 42.08570 10.94368 -5.129303 
16.20904 
1 1 1 23  -5  9  o 26.50715 7.754154  77.59297       141.9869 166.1899       
211.4930 4.894104       191.5801 29.59491 11.63863 23.41939 10.24938 6.175520 
15.50831 
1 1 1 23  -5  10 o 43.69178 7.902922  468.2036       144.2614 564.3365       
225.8558 401.9557       187.4914 47.25763 11.48084 40.12592 10.86347 7.131714 
15.80584 
1 1 1 23  -5  11 o 25.23606 7.567687  32.28154       139.3525 170.9843       
221.0426 -59.20697      179.5216 29.68241 11.82684 20.78970 9.444867 8.892712 
15.13537 
1 1 1 23  -5  12 o 25.92592 7.611418  92.84732       135.0801 124.8154       
206.9449 69.11578       178.3032 27.43676 11.24694 24.41509 10.25871 3.021671 
15.22284 
1 1 1 23  -5  13 o 27.87459 7.466420  133.4273       136.5633 -66.71552      
203.5561 297.2402       184.1570 21.69603 9.914762 34.05315 11.16634 -12.35712 
14.93284 
1 1 1 23  -5  14 o 33.34342 8.173458  286.6255       138.8259 315.1789       
211.7232 265.0908       183.8691 34.46985 11.95747 32.21700 11.14633 2.252850 
16.34692 
1 1 1 23  -5  15 o 31.24993 8.028289  223.9674       153.0213 402.9237       
209.9430 21.14839       223.5024 38.17089 11.86124 24.32896 10.82241 13.84193 
16.05658 
1 1 1 23  -5  16 o 23.49804 7.438821  11.69570       151.2917 -7.425512      
209.7172 32.44607       218.4687 22.82279 10.30461 24.17328 10.73123 -1.350492 
14.87764 
1 1 1 23  -5  17 f 26.29733 8.406154  64.19051       186.0501 -18.34031      
359.6946 94.33623       217.3895 27.07958 12.67918 25.51508 11.04047 1.564505 
16.81231 
1 1 1 23  -5  18 f 23.85576 10.87626  7.159461       242.7210 0.000000       
0.000000 7.159461       242.7210 ?        ?        23.85576 10.87626 ? ? 
1 1 1 23  -5  19 o 40.83321 9.789503  424.0355       226.1705 1179.076       
390.0237 41.50184       277.6136 56.49503 15.82064 25.17140 11.53451 31.32363 
19.57901 
1 1 1 23  -5  20 o 25.16105 8.073994  12.78323       199.8061 -280.7014      
286.6346 290.1861       278.6707 20.19740 9.910352 30.12470 12.74921 -9.927298 
16.14799 
1 1 1 23  -5  21 o 27.62890 8.633128  210.0301       207.6867 -12.50731      
296.5442 424.2683       290.9622 23.12673 11.03729 32.13107 13.27787 -9.004345 
17.26626 
1 1 1 23  -5  22 o 21.20827 7.310744  -114.5720      208.4896 7.186773       
310.0004 -215.1299      281.7217 22.83917 10.99167 19.57737 9.642149 3.261795 
14.62149 
1 1 1 23  -4  0  o 91.93407 4.657259  1859.311       172.4353 1935.929       
218.2385 1731.997       281.3212 94.94851 5.474750 88.91963 7.535740 6.028877 
9.314519 
1 1 1 23  -4  1  o 21.20481 6.606120  -41.41431      118.8082 42.64409       
154.0756 -164.7032      186.5972 23.05549 9.602936 19.35412 9.074519 3.701368 
13.21224 
1 1 1 23  -4  2  o 76.97591 4.611044  1258.493       146.1946 1158.292       
186.5563 1417.952       235.3405 73.25079 6.066228 80.70104 6.946062 -7.450256 
9.222088 
1 1 1 23  -4  3  f 53.09721 7.442930  641.0593       162.5410 979.3424       
246.3975 380.4372       216.2728 66.29930 8.852144 39.89511 11.96780 26.40419 
14.88586 
1 1 1 23  -4  4  o 59.58821 6.737566  811.7036       162.0853 787.8126       
248.3667 829.4268       213.9180 58.00128 10.59277 61.17515 8.329010 -3.173874 
13.47513 
1 1 1 23  -4  5  o 73.19177 5.513489  1158.994       166.1994 1296.068       
267.2466 1072.547       212.2324 76.40420 8.331364 69.97935 7.223754 6.424850 
11.02698 
1 1 1 23  -4  6  o 34.23388 8.229120  268.5029       145.4434 169.9531       
226.4678 337.6843       189.7462 30.84225 12.06490 37.62550 11.19428 -6.783245 
16.45824 
1 1 1 23  -4  7  f 75.20399 5.569227  1255.051       175.7729 1229.972       
250.0826 1279.536       247.1049 74.39353 8.006991 76.01444 7.742949 -1.620911 
11.13845 
1 1 1 23  -4  8  o 40.04960 8.205338  380.1223       147.4249 507.1134       
224.2605 283.4779       195.6386 45.38738 11.69826 34.71183 11.50917 10.67555 
16.41068 
1 1 1 23  -4  9  o 34.12375 7.935395  274.1320       142.1192 113.3160       
220.5315 388.3573       185.8605 28.32747 11.61087 39.92004 10.81988 -11.59257 
15.87079 
1 1 1 23  -4  10 o 23.37813 7.139816  19.78956       118.8200 57.06236       
215.4600 3.500190       142.4370 26.18940 11.15201 20.56686 8.918557 5.622541 
14.27963 
1 1 1 23  -4  11 o 27.48282 7.862150  120.7411       138.7510 128.3725       
218.3678 115.5738       179.6868 28.42073 11.58548 26.54490 10.63157 1.875832 
15.72430 
1 1 1 23  -4  12 o 71.33556 5.762472  1164.651       171.1855 1124.189       
255.4686 1197.625       230.6196 69.79566 8.718266 72.87544 7.537650 -3.079781 
11.52494 
1 1 1 23  -4  13 o 35.40229 7.792068  281.1198       136.8134 504.1071       
213.4222 125.5597       178.2578 44.24837 11.41615 26.55621 10.60834 17.69216 
15.58414 
1 1 1 23  -4  14 o 47.26648 8.016167  575.9515       156.8328 526.3447       
212.1606 635.7175       232.8739 45.03593 11.24345 49.49703 11.42894 -4.461102 
16.03233 
1 1 1 23  -4  15 o 50.85618 7.873302  673.6256       164.2047 549.0054       
228.6638 806.3126       235.9486 45.12926 11.89820 56.58310 10.31448 -11.45384 
15.74660 
1 1 1 23  -4  16 o 30.39077 8.062655  214.6754       139.6973 311.0280       
215.0230 144.3018       183.7630 33.98066 12.02443 26.80088 10.74424 7.179775 
16.12531 
1 1 1 23  -4  17 o 40.26192 9.198928  485.8899       179.0911 432.7497       
272.2467 526.4277       237.7832 37.81880 13.51528 42.70505 12.48272 -4.886253 
18.39786 
1 1 1 23  -4  18 f 27.63326 8.368318  95.29826       179.1470 304.9359       
269.5097 -70.65456      239.7906 32.77291 13.05892 22.49360 10.46803 10.27930 
16.73664 
1 1 1 23  -4  19 o 25.81343 8.592873  -326.1477      237.6792 403.1597       
389.0716 -760.3521      300.2073 34.51906 14.85107 17.10781 8.648449 17.41125 
17.18575 
1 1 1 23  -4  20 o 39.19922 15.47013  628.5889       374.8894 628.5889       
374.8894 0.000000       0.000000 39.19922 15.47013 ?        ?        ? ? 
1 1 1 23  -4  21 o 26.03724 8.287434  89.12450       198.8385 -108.7699      
283.9659 279.4925       278.5136 22.26332 10.66699 29.81116 12.68627 -7.547842 
16.57487 
1 1 1 23  -4  22 o 21.43812 7.309961  -95.17778      195.2961 -84.58595      
290.4305 -103.9201      263.8584 21.92373 10.57261 20.95252 10.09763 0.9712105 
14.61992 
1 1 1 23  -4  23 o 23.35136 7.682378  60.50707       196.1281 -227.6666      
319.0696 235.5164       248.6503 20.38107 10.07958 26.32166 11.59646 -5.940588 
15.36476 
1 1 1 23  -3  0  o 39.21107 6.552717  290.9957       119.3458 88.21524       
150.3518 636.3925       196.2252 24.77270 9.790606 53.64944 8.711854 -28.87674 
13.10543 
1 1 1 23  -3  1  o 23.83819 6.955418  43.36370       116.8947 111.4215       
152.8540 -52.50938      181.4204 25.91788 9.958692 21.75850 9.712662 4.159386 
13.91084 
1 1 1 23  -3  2  o 84.63165 5.610957  1595.060       195.7601 1347.198       
288.3284 1807.029       266.6356 78.01942 8.802495 91.24390 6.960419 -13.22448 
11.22191 
1 1 1 23  -3  3  o 23.68277 7.133036  -72.92502      147.2216 -447.6128      
241.3121 149.2208       185.8076 18.43428 9.060597 28.93126 11.01936 -10.49698 
14.26607 
1 1 1 23  -3  4  o 23.13789 7.021560  -267.2136      147.7628 203.4271       
223.9229 -630.2217      196.6581 32.37112 12.15976 13.90465 7.024912 18.46646 
14.04312 
1 1 1 23  -3  5  o 34.17487 8.238695  229.2406       132.4596 364.4185       
244.6124 173.1568       157.5595 39.34682 12.86934 29.00291 10.29002 10.34391 
16.47739 
1 1 1 23  -3  6  o 144.2376 6.414930  4653.492       385.4515 4568.028       
578.1125 4721.890       517.1838 142.4597 9.665879 146.0155 8.436593 -3.555740 
12.82986 
1 1 1 23  -3  7  o 36.08824 8.011251  300.4811       140.6075 189.8772       
201.3034 405.8506       196.4822 30.96948 11.54977 41.20699 11.10511 -10.23751 
16.02250 
1 1 1 23  -3  8  o 32.91311 7.198483  198.4664       126.4092 6.978619       
168.2090 446.9318       191.6071 22.53563 9.730915 43.29058 10.61046 -20.75496 
14.39697 
1 1 1 23  -3  9  o 34.11099 8.232520  270.7251       142.0052 197.6787       
238.4434 310.8729       176.7734 32.08210 12.41458 36.13988 10.81554 -4.057785 
16.46504 
1 1 1 23  -3  10 o 57.38200 7.208911  822.8261       161.2882 486.8964       
238.9017 1104.178       218.6351 44.11283 12.39125 70.65118 7.370919 -26.53835 
14.41782 
1 1 1 23  -3  11 o 21.58344 6.807683  -24.54103      119.6226 -78.93438      
212.4501 0.7089881      144.7488 22.50756 10.23843 20.65933 8.975114 1.848227 
13.61537 
1 1 1 23  -3  12 o 38.39477 8.382011  370.5187       149.0925 397.6774       
204.8173 339.9075       217.4461 39.82314 11.56746 36.96640 12.13368 2.856747 
16.76402 
1 1 1 23  -3  13 o 105.2598 5.522651  2512.052       240.3227 2543.182       
315.6407 2469.117       370.6937 106.7466 7.043039 103.7729 8.508484 2.973633 
11.04530 
1 1 1 23  -3  14 o 31.21380 8.255174  200.0395       154.8743 57.88506       
218.4906 343.5938       219.5638 25.88438 11.13245 36.54321 12.19263 -10.65882 
16.51035 
1 1 1 23  -3  15 o 43.72406 8.484832  510.4128       161.1630 549.3535       
220.7030 465.9276       235.8922 45.92636 11.46867 41.52176 12.50756 4.404606 
16.96966 
1 1 1 23  -3  16 o 38.42206 8.578445  377.6377       161.0711 227.7395       
212.9494 578.0621       246.2372 30.94799 11.79407 45.89613 12.46029 -14.94814 
17.15689 
1 1 1 23  -3  17 o 44.41697 9.185416  548.0760       182.1028 721.1138       
284.1427 427.4642       237.2253 50.01034 13.29922 38.82359 12.67352 11.18674 
18.37083 
1 1 1 23  -3  18 o 22.59511 7.491802  -113.5214      179.0793 -80.62802      
266.2310 -140.7021      242.0109 23.62862 11.00929 21.56161 10.16385 2.067011 
14.98360 
1 1 1 23  -3  19 o 25.91550 8.093830  32.59138       178.3132 224.6635       
265.6958 -124.8123      240.5248 30.30122 12.61499 21.52977 10.14408 8.771456 
16.18766 
1 1 1 23  -3  20 o 29.81522 9.102674  213.7836       208.0704 253.8404       
300.3963 176.8424       288.4774 30.82379 13.14796 28.80665 12.59229 2.017136 
18.20535 
1 1 1 23  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  -3  22 o 33.83351 8.299850  371.2684       187.4225 -73.70665      
308.7240 630.9871       235.8599 23.37282 11.18019 44.29420 12.27002 -20.92138 
16.59970 
1 1 1 23  -3  23 o 23.93403 7.890408  26.80474       182.5043 288.1677       
310.8612 -110.6635      225.4476 28.30939 12.67330 19.55868 9.403283 8.750710 
15.78082 
1 1 1 23  -3  24 o 20.38049 7.022172  -110.0169      182.1839 -39.92259      
312.4792 -146.1133      224.2395 22.19018 10.75337 18.57080 9.033749 3.619389 
14.04434 
1 1 1 23  -2  0  o 52.53288 5.569554  632.1330       113.6696 704.4162       
146.2593 521.8799       180.6345 57.24295 6.085869 47.82279 9.329626 9.420162 
11.13911 
1 1 1 23  -2  1  o 85.46193 3.736988  1580.002       129.8169 1645.030       
166.2413 1478.379       207.8191 87.95086 4.502151 82.97299 5.965815 4.977867 
7.473975 
1 1 1 23  -2  2  o 65.69681 5.413119  937.6050       148.9713 979.6169       
219.6848 901.8406       202.6939 67.00670 7.809135 64.38692 7.498323 2.619774 
10.82624 
1 1 1 23  -2  3  o 70.41980 4.843912  1034.018       140.5667 1339.834       
223.9510 835.2164       180.5652 78.72380 6.775917 62.11579 6.923935 16.60801 
9.687824 
1 1 1 23  -2  4  o 89.57488 5.151058  1721.829       190.4703 1630.679       
245.2170 1860.465       302.4208 86.84784 6.725315 92.30193 7.804084 -5.454086 
10.30212 
1 1 1 23  -2  5  o 115.2716 5.893436  2905.931       284.1427 2757.931       
382.3381 3088.513       424.6632 112.1412 8.120886 118.4020 8.542925 -6.260803 
11.78687 
1 1 1 23  -2  6  o 55.95773 6.566358  706.1870       150.3131 634.1033       
211.1059 780.3124       214.0747 52.45973 9.945741 59.45572 8.576158 -6.995987 
13.13272 
1 1 1 23  -2  7  o 96.76270 5.181562  2081.823       205.1642 2277.836       
270.8091 1817.763       314.3206 102.6981 6.280902 90.82732 8.242852 11.87075 
10.36312 
1 1 1 23  -2  8  o 43.34980 7.358364  457.6641       143.8531 220.1244       
216.5391 645.3138       192.4608 32.73159 12.01787 53.96801 8.494287 -21.23642 
14.71673 
1 1 1 23  -2  9  o 73.18745 6.123939  1193.376       186.6275 1193.778       
281.9961 1193.062       248.9453 72.92060 9.211152 73.45429 8.072496 
-0.5336914     12.24788 
1 1 1 23  -2  10 o 64.16062 6.748563  966.3515       167.0768 854.7938       
274.3488 1032.115       210.6430 59.80346 11.33808 68.51778 7.322590 -8.714329 
13.49713 
1 1 1 23  -2  11 o 53.67719 6.835186  612.7636       145.9442 299.6327       
183.5912 1150.374       240.5595 35.47343 11.10573 71.88096 7.971312 -36.40753 
13.67037 
1 1 1 23  -2  12 o 30.77165 7.975873  169.8362       136.5076 325.3566       
219.6891 72.02594       174.2236 36.64072 12.19610 24.90258 10.28170 11.73814 
15.95175 
1 1 1 23  -2  13 o 36.18742 8.081997  301.9669       155.9114 509.7106       
216.1649 76.71474       225.0898 45.21894 11.38542 27.15590 11.47375 18.06304 
16.16399 
1 1 1 23  -2  14 o 30.11541 8.276824  175.2240       154.0175 253.9624       
213.5513 89.86994       222.3417 32.97859 11.95158 27.25222 11.45351 5.726370 
16.55365 
1 1 1 23  -2  15 o 43.56976 8.475576  487.6622       159.6317 418.4462       
213.5045 575.4043       240.3851 40.18228 11.85491 46.95723 12.11622 -6.774944 
16.95115 
1 1 1 23  -2  16 o 28.34354 8.026548  136.2791       153.7233 251.8924       
207.3909 -4.692290      229.0084 32.21321 11.76771 24.47387 10.91892 7.739334 
16.05310 
1 1 1 23  -2  17 o 33.72721 9.144551  289.0457       180.5000 282.2721       
275.5388 294.1375       238.8958 33.65794 13.26924 33.79649 12.58644 
-0.1385460     18.28910 
1 1 1 23  -2  18 o 38.92527 9.532636  432.2766       189.2209 539.3531       
290.5484 353.4138       249.3490 42.23850 14.02575 35.61203 12.91367 6.626472 
19.06527 
1 1 1 23  -2  19 o 38.05385 9.209656  414.7268       176.9422 544.4045       
272.4974 320.1896       232.6649 42.24032 13.56984 33.86738 12.45514 8.372944 
18.41931 
1 1 1 23  -2  20 o 62.47730 7.401889  949.0254       183.0995 1358.740       
315.9013 741.7486       224.6911 72.11683 10.43364 52.83778 10.50195 19.27905 
14.80378 
1 1 1 23  -2  21 o 27.37777 8.068738  62.66673       166.5542 397.6208       
261.8541 -164.9199      215.8440 35.27068 13.16902 19.48486 9.327112 15.78581 
16.13748 
1 1 1 23  -2  22 o 41.93519 10.24309  636.0388       210.7527 721.9078       
418.1936 606.8056       244.0038 40.10940 16.15471 43.76097 12.59798 -3.651569 
20.48619 
1 1 1 23  -2  23 o 19.79670 9.863866  -451.5809      328.8143 -451.5809      
328.8143 0.000000       0.000000 19.79670 9.863866 ?        ?        ? ? 
1 1 1 23  -2  24 o 29.74665 8.878572  342.4750       187.6927 350.7689       
326.7196 338.3895       229.3070 29.24336 13.04450 30.24995 12.04812 -1.006594 
17.75714 
1 1 1 23  -2  25 o 20.31556 6.938479  -101.4809      181.5961 24.14891       
257.6598 -225.4776      255.9797 22.01776 10.41806 18.61337 9.167004 3.404385 
13.87696 
1 1 1 23  -1  0  o 96.22417 4.669515  2067.726       177.1919 2245.098       
222.1810 1757.780       293.7025 102.5875 5.158620 89.86082 7.784994 12.72670 
9.339030 
1 1 1 23  -1  1  o 32.57805 6.878862  173.8604       96.55844 90.92336       
112.0102 413.8005       190.5174 22.99371 8.607448 42.16239 10.73251 -19.16868 
13.75772 
1 1 1 23  -1  2  o 48.99351 6.351969  533.9169       123.1068 548.1987       
203.6525 525.6931       154.5384 48.76603 10.26957 49.22099 7.478373 
-0.4549561     12.70394 
1 1 1 23  -1  3  f 26.70621 7.263077  116.6187       114.6600 138.7829       
150.9134 86.35340       176.3492 27.26881 10.03081 26.14360 10.50676 1.125217 
14.52615 
1 1 1 23  -1  4  o 20.62184 6.492455  -145.4939      128.3786 -396.4126      
189.3440 68.00067       174.6539 15.90101 7.839951 25.34267 10.35099 -9.441661 
12.98491 
1 1 1 23  -1  5  o 65.17362 5.472507  912.2679       147.6906 1149.144       
222.0545 724.3528       197.7789 72.79741 7.265489 57.54984 8.185719 15.24757 
10.94501 
1 1 1 23  -1  6  o 21.19509 6.236188  -50.28790      104.7944 135.0654       
151.4535 -220.5350      145.1507 27.06113 10.03285 15.32904 7.409589 11.73208 
12.47238 
1 1 1 23  -1  7  o 49.75622 7.058984  581.9077       143.2323 413.8813       
209.8867 728.3644       195.9525 41.85523 11.56666 57.65721 8.095028 -15.80198 
14.11797 
1 1 1 23  -1  8  o 74.69843 5.825351  1192.393       179.9037 1441.218       
286.3777 1030.181       231.2243 80.87286 8.434464 68.52399 8.037331 12.34888 
11.65070 
1 1 1 23  -1  9  o 88.99982 5.559773  1774.828       202.6646 1411.297       
296.0724 2095.338       278.0023 79.72433 8.845615 98.27530 6.737908 -18.55096 
11.11955 
1 1 1 23  -1  10 f 41.63900 8.277932  404.6100       150.8301 518.3310       
231.6613 320.9311       198.7198 46.32533 11.86015 36.95267 11.55134 9.372658 
16.55586 
1 1 1 23  -1  11 o 58.78517 6.829147  782.7734       168.4925 768.8025       
234.7752 797.6120       241.9558 58.27197 9.596517 59.29837 9.718840 -1.026394 
13.65829 
1 1 1 23  -1  12 o 56.26939 7.673052  740.0590       176.0159 448.5166       
236.0651 1105.078       264.1429 42.56595 12.43609 69.97282 8.991468 -27.40686 
15.34610 
1 1 1 23  -1  13 o 66.94553 6.075900  1008.643       170.4789 935.3660       
234.4379 1090.875       248.3505 64.32430 8.681079 69.56676 8.503240 -5.242455 
12.15180 
1 1 1 23  -1  14 f 32.16111 8.376347  212.2213       152.7868 114.2582       
206.7796 330.0143       226.7441 27.66627 11.27524 36.65595 12.39039 -8.989677 
16.75269 
1 1 1 23  -1  15 o 25.16696 7.802057  15.61687       157.2551 8.144968       
215.5752 24.11477       229.8998 24.62754 10.82448 25.70638 11.23917 -1.078842 
15.60411 
1 1 1 23  -1  16 o 29.89244 8.264193  146.1389       162.8698 321.3912       
230.2698 -29.30513      230.3957 35.62409 12.45940 24.16078 10.86051 11.46331 
16.52839 
1 1 1 23  -1  17 o 42.04173 9.156833  489.7690       182.1364 384.1549       
270.5025 577.3635       246.3480 37.70110 13.47205 46.38235 12.40541 -8.681259 
18.31367 
1 1 1 23  -1  18 o 35.54768 8.781191  333.4987       179.3836 104.5129       
279.1476 494.5747       234.1236 28.65563 12.45660 42.43973 12.38024 -13.78410 
17.56238 
1 1 1 23  -1  19 o 31.34609 8.689425  223.4413       164.0526 339.2419       
263.1331 149.8083       209.8246 35.00357 13.17498 27.68860 11.33333 7.314972 
17.37885 
1 1 1 23  -1  20 o 27.20811 8.222435  108.8951       164.3929 214.2540       
258.5764 37.42025       212.9756 30.31629 12.52188 24.09993 10.66003 6.216360 
16.44487 
1 1 1 23  -1  21 o 29.15390 8.247378  100.9606       167.7236 457.7082       
268.5203 -127.2702      214.7749 38.02932 13.43926 20.27847 9.563644 17.75085 
16.49476 
1 1 1 23  -1  22 f 40.51071 8.948908  534.8699       179.4029 378.0851       
282.3792 640.9878       232.3138 34.19264 13.44787 46.82878 11.81044 -12.63614 
17.89782 
1 1 1 23  -1  23 o 36.24619 10.11532  380.0905       201.3155 855.6816       
406.4258 225.4646       231.7424 43.82197 16.39759 28.67041 11.84894 15.15156 
20.23063 
1 1 1 23  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  -1  25 o 21.30228 7.280603  -82.14338      194.5475 -125.8476      
255.8101 -22.18884      299.6174 20.06696 9.726048 22.53759 10.83664 -2.470636 
14.56121 
1 1 1 23  0   0  o 77.23296 4.093980  1268.658       128.0497 1247.505       
160.5817 1305.595       212.2011 76.54088 4.997166 77.92504 6.486219 -1.384163 
8.187961 
1 1 1 23  0   1  o 54.23548 6.546444  660.0070       144.7198 721.9178       
201.0774 593.4723       208.4512 57.52091 8.326427 50.95005 10.10417 6.570862 
13.09289 
1 1 1 23  0   2  o 25.04398 7.184191  19.01891       128.4137 176.2009       
183.7671 -130.9756      179.5163 30.29226 11.07613 19.79569 9.152584 10.49657 
14.36838 
1 1 1 23  0   3  o 87.87238 4.374583  1613.487       156.3846 1494.419       
195.2392 1826.625       261.2166 83.64536 5.559633 92.09940 6.755618 -8.454041 
8.749166 
1 1 1 23  0   4  o 38.85187 7.479361  321.4173       133.9202 545.5112       
204.4114 152.8998       177.2607 48.69396 10.31413 29.00977 10.83431 19.68419 
14.95872 
1 1 1 23  0   5  o 33.00475 7.998560  232.9857       133.7747 210.1986       
199.9805 251.4406       179.9698 32.26754 11.57824 33.74195 11.03867 -1.474415 
15.99712 
1 1 1 23  0   6  o 137.0571 5.229314  4120.140       289.8240 4269.151       
368.1910 3877.413       469.9192 140.9883 6.220297 133.1260 8.407783 7.862335 
10.45863 
1 1 1 23  0   7  o 21.95554 6.911482  -65.17149      129.8429 13.07371       
191.1574 -132.1947      176.9192 24.36862 10.44433 19.54245 9.054844 4.826170 
13.82296 
1 1 1 23  0   8  o 126.7985 6.336852  3544.050       336.5076 3476.100       
458.3758 3623.481       495.5868 125.6696 8.687854 127.9275 9.227348 -2.257874 
12.67370 
1 1 1 23  0   9  o 35.24182 8.174911  281.0655       140.9089 235.5249       
208.7967 319.1530       190.9480 33.39178 11.84573 37.09186 11.26923 -3.700081 
16.34982 
1 1 1 23  0   10 o 87.46600 5.362886  1635.576       193.4602 1487.779       
247.3414 1868.475       310.4904 82.69280 7.124432 92.23921 8.017771 -9.546410 
10.72577 
1 1 1 23  0   11 o 23.25186 7.300363  -76.97327      147.3661 -196.5637      
202.9482 56.40916       214.3317 19.78970 9.322422 26.71402 11.23715 -6.924316 
14.60073 
1 1 1 23  0   12 o 32.73331 8.343398  220.0138       151.6725 316.0044       
211.6946 118.7661       217.4143 36.69103 11.97214 28.77560 11.62398 7.915430 
16.68680 
1 1 1 23  0   13 o 35.13099 8.202491  262.0945       157.5935 461.6560       
219.9864 51.71232       225.8718 43.41641 11.77308 26.84557 11.42445 16.57084 
16.40498 
1 1 1 23  0   14 o 45.66924 7.214738  408.0993       142.7526 178.6723       
173.8814 882.4418       250.0212 29.32972 10.76922 62.00875 9.603840 -32.67903 
14.42948 
1 1 1 23  0   15 o 36.88803 8.772298  330.8852       159.8411 293.6132       
213.2462 378.6785       241.4755 34.97775 12.01320 38.79831 12.78655 -3.820568 
17.54460 
1 1 1 23  0   16 o 26.49424 8.140594  40.70974       168.3487 36.63830       
244.1272 44.40140       232.4628 26.63419 11.61379 26.35429 11.41039 0.2798977 
16.28119 
1 1 1 23  0   17 o 35.20697 8.679646  230.8884       174.8302 568.4713       
275.2499 2.589237       226.3546 45.65586 13.45744 24.75807 10.96551 20.89779 
17.35929 
1 1 1 23  0   18 o 35.41893 8.762665  250.7047       173.9086 581.2968       
279.1976 41.12380       222.3009 45.48777 13.58819 25.35010 11.06789 20.13766 
17.52533 
1 1 1 23  0   19 o 30.73119 8.580239  190.4215       164.5951 335.6729       
256.3032 88.47562       214.7230 35.32738 13.06073 26.13500 11.13100 9.192377 
17.16048 
1 1 1 23  0   20 o 39.74116 9.150843  443.3547       173.2380 554.7020       
272.2740 367.6167       224.5553 43.20129 13.52450 36.28102 12.33044 6.920265 
18.30169 
1 1 1 23  0   21 o 28.37027 8.148051  167.9143       142.8241 239.6271       
255.9802 135.4981       172.1031 30.94861 12.56782 25.79193 10.37366 5.156679 
16.29610 
1 1 1 23  0   22 o 30.52024 8.307129  227.0268       161.8273 394.5446       
228.9408 59.75012       228.7761 36.21795 12.44663 24.82253 11.00523 11.39541 
16.61426 
1 1 1 23  0   23 o 24.48985 7.920659  20.51615       183.6742 5.737760       
253.9767 36.72025       265.9456 24.00052 11.01242 24.97919 11.38745 
-0.9786739     15.84132 
1 1 1 23  0   24 o 55.81197 9.291730  996.2605       213.1762 954.0836       
284.9622 1049.860       321.2410 55.42336 12.53818 56.20058 13.71638 
-0.7772141     18.58346 
1 1 1 23  0   25 o 21.53847 7.338536  -106.3251      195.3905 -90.92477      
254.7097 -128.3459      304.5767 21.10485 10.10968 21.97208 10.64006 
-0.8672352     14.67707 
1 1 1 23  0   26 f 27.85485 8.774719  291.3842       206.9819 189.5028       
276.5237 421.1953       312.1338 25.46971 11.61124 30.23998 13.15910 -4.770267 
17.54944 
1 1 1 23  1   0  o 31.24017 6.561913  221.4964       96.24756 286.2810       
126.8428 133.5705       147.7707 35.52698 8.586867 26.95335 9.924743 8.573633 
13.12383 
1 1 1 23  1   1  o 39.15634 6.772908  346.9988       110.7976 417.3300       
163.6037 287.4138       150.5872 42.80701 9.360879 35.50567 9.790970 7.301334 
13.54582 
1 1 1 23  1   2  o 89.57206 4.792381  1724.600       177.3098 1733.335       
276.7370 1718.517       230.9389 89.57052 7.359075 89.57360 6.140985 
-0.3082275E-02 9.584763 
1 1 1 23  1   3  o 58.00318 5.719490  733.4625       138.7724 676.7748       
198.7505 787.3885       193.8488 55.70666 8.498107 60.29970 7.657183 -4.593037 
11.43898 
1 1 1 23  1   4  o 38.49191 7.908957  339.8945       135.4261 363.4438       
194.8486 317.8876       188.3591 39.66706 11.20622 37.31676 11.16365 2.350296 
15.81791 
1 1 1 23  1   5  o 44.10117 6.916708  476.1147       125.0992 291.7713       
205.7397 584.2499       157.5751 36.18555 11.80255 52.01680 7.215479 -15.83125 
13.83342 
1 1 1 23  1   6  o 18.02018 6.065134  -238.4742      129.1309 -375.8016      
189.8030 -120.1354      176.1929 16.22155 7.990498 19.81882 9.126627 -3.597263 
12.13027 
1 1 1 23  1   7  o 57.49062 6.043704  760.0468       134.4721 622.0526       
214.5925 849.2695       172.5528 52.14563 10.16475 62.83562 6.540897 -10.68999 
12.08741 
1 1 1 23  1   8  o 39.22543 8.088144  359.9441       142.7034 298.6673       
212.7092 410.0972       192.4364 36.48755 12.00079 41.96333 10.84681 -5.475780 
16.17629 
1 1 1 23  1   9  o 40.52452 8.142694  382.6233       144.7024 413.4547       
214.0130 356.6578       196.3998 41.91971 11.71278 39.12933 11.31479 2.790386 
16.28539 
1 1 1 23  1   10 o 36.70446 8.196210  283.8649       140.2273 198.1734       
176.8105 429.1465       230.2207 30.90405 10.90698 42.50486 12.23720 -11.60081 
16.39242 
1 1 1 23  1   11 o 79.13861 5.617255  1363.413       185.8596 1211.203       
251.9357 1545.173       275.3067 74.26858 8.079894 84.00865 7.805736 -9.740074 
11.23451 
1 1 1 23  1   12 o 26.68352 7.735532  27.74498       152.5814 205.6186       
208.0605 -179.2256      224.4338 31.92392 11.77451 21.44312 10.03568 10.48081 
15.47106 
1 1 1 23  1   13 o 25.52915 7.832678  11.38746       154.7696 21.04113       
206.8967 -0.8782204     233.2133 25.16345 10.82794 25.89484 11.32074 
-0.7313900     15.66536 
1 1 1 23  1   14 o 32.77496 7.760492  131.5277       140.0239 -56.70981      
172.5388 494.6819       239.6509 20.85119 9.384197 44.69872 12.36276 -23.84753 
15.52098 
1 1 1 23  1   15 o 26.49344 7.994211  47.92700       156.2756 16.98070       
209.5906 86.67231       234.5185 24.90756 10.80996 28.07932 11.78026 -3.171762 
15.98842 
1 1 1 23  1   16 o 50.43219 8.744387  651.1091       182.7171 612.4260       
281.9369 679.1216       239.9203 48.35258 13.42195 52.51180 11.21198 -4.159214 
17.48877 
1 1 1 23  1   17 o 41.21643 8.573962  431.7385       158.0500 502.8602       
236.5676 374.4000       212.4115 44.06235 12.31552 38.37051 11.93228 5.691833 
17.14792 
1 1 1 23  1   18 o 28.44288 8.452655  102.4178       166.1686 196.2489       
273.6610 47.61763       209.1369 31.70398 12.95430 25.18179 10.86166 6.522194 
16.90531 
1 1 1 23  1   19 o 29.87824 8.510284  167.8016       161.6058 262.3462       
257.1853 106.1154       207.7408 33.07753 12.87392 26.67896 11.13382 6.398571 
17.02057 
1 1 1 23  1   20 o 26.49748 7.940491  18.82102       159.1848 277.9655       
254.9159 -146.8270      203.8070 33.12074 12.83215 19.87423 9.356357 13.24651 
15.88098 
1 1 1 23  1   21 o 38.85775 8.695542  371.3622       186.2881 758.7288       
280.2267 64.61303       249.3676 51.44921 12.96863 26.26629 11.58725 25.18292 
17.39108 
1 1 1 23  1   22 o 23.23029 7.665086  -77.87424      183.3286 -84.80219      
256.6102 -70.65192      262.0056 22.99386 10.75029 23.46672 10.92911 
-0.4728584     15.33017 
1 1 1 23  1   23 o 54.26195 9.187200  877.7099       205.3730 807.8746       
271.8270 970.5936       313.4911 52.29515 12.52689 56.22874 13.44230 -3.933582 
18.37440 
1 1 1 23  1   24 o 22.23214 7.434028  -152.4152      190.2516 -387.8460      
272.4767 71.55431       265.7616 18.91264 9.343991 25.55163 11.56499 -6.638990 
14.86806 
1 1 1 23  1   25 o 27.66453 8.409894  118.1159       193.4503 436.6762       
281.8593 -165.5829      265.9899 34.44509 13.46271 20.88397 10.08270 13.56111 
16.81979 
1 1 1 23  1   26 o 20.16068 7.015553  -233.2941      201.8181 -288.8424      
259.8337 -148.8185      320.4247 18.52435 9.145521 21.79700 10.64102 -3.272652 
14.03111 
1 1 1 23  1   27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  2   0  o 114.9292 4.362916  2775.843       187.1067 2714.439       
218.2075 2946.378       363.6451 113.0811 4.596219 116.7774 7.417203 -3.696281 
8.725832 
1 1 1 23  2   1  o 87.81650 4.745912  1655.422       174.3737 1845.851       
250.9435 1477.625       242.4777 92.77515 6.442662 82.85784 6.970426 9.917313 
9.491824 
1 1 1 23  2   2  o 33.05199 7.833660  222.0980       132.3256 326.5125       
192.8862 129.2672       181.8725 37.85059 11.29167 28.25338 10.86108 9.597210 
15.66732 
1 1 1 23  2   3  o 28.09573 7.220083  83.48103       131.2601 -148.3526      
190.7546 291.9726       180.8969 20.22284 9.382415 35.96862 10.97673 -15.74578 
14.44017 
1 1 1 23  2   4  o 21.39718 6.678711  -62.77227      118.7435 -139.7877      
157.4470 38.81474       180.8276 18.02646 8.425107 24.76790 10.36525 -6.741438 
13.35742 
1 1 1 23  2   5  o 34.56032 8.186035  257.3537       139.6060 280.4366       
206.1664 237.8062       189.7226 35.72807 11.81479 33.39257 11.33382 2.335491 
16.37207 
1 1 1 23  2   6  o 41.61461 7.664919  403.1658       137.0125 318.8267       
198.1207 480.4752       189.6844 37.44365 11.49975 45.78556 10.13705 -8.341908 
15.32984 
1 1 1 23  2   7  o 78.88078 4.851842  1346.810       158.0902 1383.129       
207.6836 1296.770       243.7749 80.34464 6.156961 77.41694 7.500220 2.927696 
9.703684 
1 1 1 23  2   8  o 30.40347 7.920686  142.8544       138.7992 291.0284       
211.3858 30.55129       184.0288 36.20342 11.96341 24.60351 10.38393 11.59991 
15.84137 
1 1 1 23  2   9  o 39.49911 8.145333  348.9860       144.3150 466.5127       
221.2462 261.9504       190.3951 44.56758 11.68225 34.43063 11.35389 10.13695 
16.29067 
1 1 1 23  2   10 f 99.19653 5.172160  2129.700       215.1145 2287.929       
311.2612 1985.024       297.6319 102.7599 7.214770 95.63319 7.412964 7.126686 
10.34432 
1 1 1 23  2   11 o 63.72773 6.116598  885.0846       157.7686 860.0630       
197.3991 929.3326       262.5030 62.86914 7.478746 64.58632 9.680879 -1.717178 
12.23320 
1 1 1 23  2   12 f 40.51419 8.984654  391.0824       171.5527 438.7832       
228.3694 329.2994       259.9020 42.85008 12.14043 38.17830 13.24787 4.671780 
17.96931 
1 1 1 23  2   13 o 73.33829 6.392448  1177.064       194.5102 1061.317       
252.5692 1345.775       304.9269 69.14719 8.700153 77.52939 9.368078 -8.382202 
12.78490 
1 1 1 23  2   14 o 59.45966 6.871519  854.6309       155.1114 972.3133       
196.2675 658.8420       253.1552 66.70774 7.007987 52.21158 11.82198 14.49616 
13.74304 
1 1 1 23  2   15 o 31.62459 8.214447  167.8804       154.2258 5.289088       
209.6268 359.7332       227.7100 24.71254 10.76902 38.53664 12.40713 -13.82410 
16.42889 
1 1 1 23  2   16 o 43.87132 8.824513  448.1378       169.3858 674.6432       
279.5173 316.6853       212.9383 51.49767 12.93499 36.24497 12.00726 15.25269 
17.64903 
1 1 1 23  2   17 o 53.75416 7.569143  703.2356       164.5028 697.8094       
240.3803 708.0153       225.6062 53.27032 11.11206 54.23800 10.28055 
-0.9676743     15.13829 
1 1 1 23  2   18 o 73.12407 6.809762  1271.847       204.3022 1149.849       
312.1973 1363.222       270.1882 69.03853 10.77106 77.20961 8.335201 -8.171082 
13.61952 
1 1 1 23  2   19 o 26.36219 8.028183  65.06239       158.3917 67.12209       
251.5998 63.71019       203.8584 27.33967 11.85436 25.38471 10.82964 1.954956 
16.05637 
1 1 1 23  2   20 o 31.50459 8.630971  195.0680       181.1159 -38.46297      
268.9212 388.9281       245.0174 25.24352 11.49263 37.76567 12.87998 -12.52215 
17.26194 
1 1 1 23  2   21 o 27.75737 8.476123  77.94255       185.6170 -52.93475      
256.3526 222.1772       269.1165 24.14363 11.07211 31.37110 12.83694 -7.227470 
16.95225 
1 1 1 23  2   22 o 45.48996 9.267883  603.7808       202.5600 341.8404       
277.6520 901.8265       296.1700 34.64418 13.39842 56.33574 12.80847 -21.69157 
18.53577 
1 1 1 23  2   23 o 44.78792 8.934896  579.0108       171.8992 512.9019       
219.2644 684.4473       276.9067 42.28993 11.86843 47.28591 13.35926 -4.995975 
17.86979 
1 1 1 23  2   24 o 33.29319 8.673041  253.8610       191.0795 625.1613       
277.1793 -82.39141      263.7733 43.75061 13.63566 22.83577 10.72172 20.91483 
17.34608 
1 1 1 23  2   25 o 23.98854 7.915648  -13.31012      194.6932 -3.355711      
290.3385 -21.44374      262.4452 24.53780 11.45768 23.43928 10.92481 1.098513 
15.83130 
1 1 1 23  2   26 o 28.77884 8.708838  234.8379       196.9117 54.44944       
283.4705 403.0486       273.7350 24.57715 11.41601 32.98053 13.15485 -8.403379 
17.41768 
1 1 1 23  2   27 o 21.28260 7.024755  3.691786       156.5983 78.33105       
218.6019 -74.98753      224.4402 22.67158 10.33244 19.89361 9.519954 2.777966 
14.04951 
1 1 1 23  3   0  o 64.90989 5.112259  938.3633       134.3855 1124.825       
181.6872 713.1308       199.6849 72.54060 5.965739 57.27918 8.303658 15.26142 
10.22452 
1 1 1 23  3   1  o 109.4689 5.329248  2570.807       244.0884 2386.002       
329.0736 2796.849       363.9401 105.1564 7.453811 113.7814 7.618678 -8.625015 
10.65850 
1 1 1 23  3   2  o 84.52703 5.326344  1515.536       186.2722 1929.403       
282.3522 1196.603       247.8621 94.70049 7.101664 74.35358 7.940160 20.34691 
10.65269 
1 1 1 23  3   3  o 113.1753 5.109151  2764.518       241.6334 2844.355       
329.3809 2671.484       355.5612 115.1043 6.815976 111.2463 7.612895 3.857948 
10.21830 
1 1 1 23  3   4  o 42.23333 7.808408  411.8864       139.7890 397.6226       
207.7602 423.6853       188.9579 41.51509 11.52111 42.95157 10.54272 -1.436478 
15.61682 
1 1 1 23  3   5  o 38.36465 6.538908  286.5013       121.0683 64.64848       
158.9122 593.4054       186.9073 24.49180 9.919526 52.23751 8.522455 -27.74572 
13.07782 
1 1 1 23  3   6  o 48.88682 7.143342  539.8185       141.2531 599.1594       
212.2074 492.6089       189.2774 51.30747 10.21383 46.46616 9.989345 4.841309 
14.28668 
1 1 1 23  3   7  o 38.51202 8.082202  340.8841       142.9114 257.0638       
210.1965 412.9378       194.8853 34.74525 11.92761 42.27878 10.90964 -7.533535 
16.16440 
1 1 1 23  3   8  o 83.74432 4.943212  1507.393       173.4710 1563.269       
254.8285 1459.138       236.8112 85.14481 7.128710 82.34385 6.850026 2.800957 
9.886423 
1 1 1 23  3   9  o 81.88603 5.366680  1444.562       183.7782 1542.498       
275.0703 1365.599       246.9941 84.31770 7.770449 79.45438 7.404399 4.863319 
10.73336 
1 1 1 23  3   10 o 43.46379 8.022604  444.0973       148.1411 405.8368       
220.7651 475.4378       199.8057 41.65047 11.98068 45.27711 10.67296 -3.626644 
16.04521 
1 1 1 23  3   11 o 58.37520 6.658601  771.7351       156.2116 712.8223       
238.9565 815.7007       206.4290 55.61744 10.61407 61.13296 8.042969 -5.515522 
13.31720 
1 1 1 23  3   12 o 69.91424 6.845243  1058.668       198.0702 875.2632       
257.2607 1325.643       310.3867 62.64231 9.781979 77.18616 9.578219 -14.54385 
13.69049 
1 1 1 23  3   13 o 42.35333 8.692010  400.7001       165.0840 274.3602       
212.2296 594.2562       262.6873 35.11695 11.98726 49.58970 12.59007 -14.47275 
17.38402 
1 1 1 23  3   14 f 57.05390 7.479962  770.5575       171.8550 974.1494       
239.5236 554.5565       246.7154 66.26688 8.609400 47.84091 12.23428 18.42597 
14.95992 
1 1 1 23  3   15 o 26.98362 7.823287  54.09117       152.6673 -123.3475      
229.6143 194.6847       204.3890 22.77757 10.45951 31.18967 11.63675 -8.412107 
15.64657 
1 1 1 23  3   16 o 53.98747 8.575252  699.4891       186.6959 822.3948       
297.8385 619.9397       239.6145 57.53932 12.67112 50.43562 11.55779 7.103695 
17.15050 
1 1 1 23  3   17 o 37.36197 9.007029  301.1048       169.1050 508.9681       
279.6583 181.2924       212.3194 44.30000 13.67437 30.42394 11.72680 13.87607 
18.01406 
1 1 1 23  3   18 o 26.46207 7.733244  94.13490       139.3002 -47.41616      
256.8222 153.1371       165.8097 25.26687 11.40598 27.65726 10.44586 -2.390396 
15.46649 
1 1 1 23  3   19 o 51.44238 8.907175  690.9470       193.2837 860.9929       
280.2141 536.6111       266.9564 58.19110 11.88076 44.69365 13.27399 13.49745 
17.81435 
1 1 1 23  3   20 o 37.02047 9.363053  360.9572       188.1661 447.6204       
259.8108 265.3527       272.8846 40.43041 13.26311 33.61053 13.21956 6.819881 
18.72611 
1 1 1 23  3   21 o 22.85184 7.518984  -151.0728      181.2983 15.27913       
251.5627 -330.8488      261.5160 25.63770 11.44091 20.06598 9.759407 5.571716 
15.03797 
1 1 1 23  3   22 o 42.30862 9.053392  513.0149       174.1944 502.9598       
262.1775 520.9618       233.0782 41.45105 13.30981 43.16619 12.27618 -1.715137 
18.10678 
1 1 1 23  3   23 o 27.92938 8.380307  120.5592       167.4650 35.27332       
212.0521 261.9054       272.9896 23.98715 10.62010 31.87162 12.96656 -7.884464 
16.76061 
1 1 1 23  3   24 o 35.52454 9.383657  385.7264       196.2932 243.1832       
281.1442 521.3026       274.1875 30.78544 12.90612 40.26365 13.62513 -9.478201 
18.76731 
1 1 1 23  3   25 o 24.14876 7.916735  -20.32421      193.9848 -72.00128      
279.2457 27.87173       269.6763 23.38117 10.99117 24.91634 11.39706 -1.535168 
15.83347 
1 1 1 23  3   26 o 27.36639 8.590611  163.9459       198.6926 105.8528       
289.9861 215.3530       272.7891 26.26385 11.95103 28.46893 12.34371 -2.205070 
17.18122 
1 1 1 23  3   27 o 22.92869 7.637673  2.135600       190.2476 -31.17139      
264.9978 37.56107       273.2955 22.26430 10.54917 23.59308 11.04768 -1.328781 
15.27535 
1 1 1 23  3   28 o 23.77345 7.730638  109.9996       172.4978 54.32496       
219.0363 200.9159       279.9036 21.89749 10.11886 25.64941 11.69015 -3.751913 
15.46128 
1 1 1 23  4   0  o 54.41153 5.887600  644.8453       134.0827 598.8504       
191.7797 688.8265       187.5346 52.42107 8.714004 56.40198 7.919690 -3.980907 
11.77520 
1 1 1 23  4   1  o 93.20134 4.629935  1822.684       175.7660 1710.116       
220.2811 2019.941       291.5984 89.51287 5.861555 96.88981 7.168498 -7.376938 
9.259870 
1 1 1 23  4   2  o 41.19851 7.604382  389.8138       133.5211 346.6025       
189.1514 432.7303       188.5049 38.93979 11.05418 43.45723 10.44566 -4.517445 
15.20876 
1 1 1 23  4   3  o 122.8615 4.449290  3208.111       228.4594 3429.803       
343.4644 3032.191       305.9591 126.5832 6.462890 119.1399 6.116843 7.443314 
8.898580 
1 1 1 23  4   4  f 74.37053 4.939994  1176.704       153.0034 1272.200       
234.7873 1106.216       201.7172 76.89915 7.272340 71.84192 6.687843 5.057228 
9.879989 
1 1 1 23  4   5  o 67.72322 5.456389  990.5112       155.0385 963.6094       
221.0530 1016.556       217.5053 66.77669 7.884834 68.66975 7.544412 -1.893059 
10.91278 
1 1 1 23  4   6  o 75.57430 5.064950  1229.543       160.4343 1248.436       
221.6560 1208.754       232.5096 76.24415 6.924589 74.90445 7.393574 1.339699 
10.12990 
1 1 1 23  4   7  f 71.74033 5.627827  1157.533       162.2128 835.5721       
239.8485 1428.940       220.2142 61.80188 9.243925 81.67879 6.421805 -19.87690 
11.25565 
1 1 1 23  4   8  o 56.72057 7.075304  732.6398       161.3142 536.9744       
228.2715 927.8303       227.9943 48.09806 11.45292 65.34306 8.310852 -17.24500 
14.15061 
1 1 1 23  4   9  o 45.49566 7.208286  499.6848       133.6779 343.7313       
221.9118 588.5086       167.4740 38.84665 12.21948 52.14467 7.649950 -13.29802 
14.41657 
1 1 1 23  4   10 o 49.05994 7.649596  548.7325       152.3305 621.5390       
233.7469 494.9851       200.8350 51.80730 11.07062 46.31259 10.55967 5.494717 
15.29919 
1 1 1 23  4   11 o 54.62371 6.957075  646.6687       152.6202 955.5307       
239.0771 434.2274       198.2783 66.05537 8.620866 43.19206 10.92173 22.86331 
13.91415 
1 1 1 23  4   12 o 85.06960 5.252280  1576.968       186.7784 1450.964       
268.5070 1695.104       259.9879 81.60535 7.837148 88.53384 6.994634 -6.928497 
10.50456 
1 1 1 23  4   13 o 35.23014 8.248912  281.9199       135.8032 306.8665       
158.2220 212.1232       264.6540 36.43130 10.03166 34.02898 13.09748 2.402317 
16.49782 
1 1 1 23  4   14 o 83.02191 5.818451  1515.181       201.3670 1290.417       
278.7609 1760.448       291.1978 76.36600 8.694665 89.67781 7.734357 -13.31181 
11.63690 
1 1 1 23  4   15 o 78.51343 5.875041  1300.926       180.1917 1541.449       
330.7445 1199.401       214.8818 82.80747 9.513583 74.21939 6.896096 8.588081 
11.75008 
1 1 1 23  4   16 o 23.50141 7.619456  -137.4388      164.6182 -7.754550      
268.5938 -215.4597      208.3329 27.31503 12.04092 19.68779 9.340271 7.627237 
15.23891 
1 1 1 23  4   17 o 60.47313 6.637967  780.4063       156.4773 984.9695       
291.1469 697.3165       185.5547 64.98714 10.67101 55.95911 7.898091 9.028030 
13.27593 
1 1 1 23  4   18 o 49.24895 9.201211  623.9855       192.7699 610.8695       
263.5630 639.0725       282.6748 48.87423 12.72262 49.62367 13.29602 
-0.7494392     18.40242 
1 1 1 23  4   19 o 28.03943 8.513053  69.16762       181.1696 121.7657       
253.4470 14.20948       259.0707 29.36085 12.27829 26.71800 11.79542 2.642849 
17.02611 
1 1 1 23  4   20 o 41.72860 8.676386  435.6046       186.3950 749.0140       
266.8280 136.9052       260.4908 53.78687 12.10830 29.67034 12.43011 24.11653 
17.35277 
1 1 1 23  4   21 o 28.79341 8.395232  60.26681       183.0102 336.2427       
263.3334 -197.5501      254.5224 35.81269 13.23895 21.77412 10.32715 14.03858 
16.79046 
1 1 1 23  4   22 o 43.11059 9.270829  533.7683       187.6655 639.5560       
259.5852 417.9426       271.6219 47.96270 12.69186 38.25847 13.51702 9.704235 
18.54166 
1 1 1 23  4   23 o 28.11452 8.034610  154.3616       151.0939 55.29260       
213.0535 254.6030       214.3103 24.75599 10.82163 31.47305 11.87906 -6.717066 
16.06922 
1 1 1 23  4   24 o 33.90373 9.292241  311.0904       198.2269 495.4692       
286.7925 142.4303       274.2953 39.42339 13.89333 28.38407 12.34335 11.03932 
18.58448 
1 1 1 23  4   25 o 18.19632 6.401735  -487.2849      193.5381 -565.9438      
283.7545 -418.8607      264.6512 17.91535 8.957675 18.47729 9.148164 
-0.5619411     12.80347 
1 1 1 23  4   26 o 38.73428 9.778628  520.9624       208.9623 699.8165       
301.7314 356.1192       289.6720 44.55897 14.27563 32.90958 13.36760 11.64939 
19.55726 
1 1 1 23  4   27 o 24.89424 7.939537  98.21239       173.7616 113.8483       
220.6684 72.69567       281.8976 24.72776 10.90542 25.06071 11.54196 
-0.3329449     15.87907 
1 1 1 23  4   28 o 28.99194 8.290975  277.4512       178.3923 21.90847       
268.2059 480.1992       238.8993 22.74909 10.71664 35.23478 12.65365 -12.48569 
16.58195 
1 1 1 23  4   29 o 26.41930 8.166666  189.5331       176.4341 -0.2399624     
230.1099 460.2484       274.8366 20.98264 9.896749 31.85596 12.99354 -10.87332 
16.33333 
1 1 1 23  5   0  o 67.76424 5.347739  990.2490       151.9586 924.7523       
211.7196 1059.837       218.2321 65.41911 7.708636 70.10937 7.414187 -4.690254 
10.69548 
1 1 1 23  5   1  o 36.54378 7.482987  288.3750       129.7142 448.6415       
187.9346 142.5621       179.2599 44.29805 10.29248 28.78951 10.86487 15.50855 
14.96597 
1 1 1 23  5   2  o 24.01055 7.040564  37.44858       114.5687 76.38964       
181.7131 11.75496       147.6029 26.23581 10.61495 21.78528 9.252079 4.450531 
14.08113 
1 1 1 23  5   3  o 86.64168 4.449243  1604.284       161.8258 1572.738       
227.8898 1636.370       229.8351 85.77370 6.328370 87.50967 6.255779 -1.735970 
8.898485 
1 1 1 23  5   4  o 51.76647 6.801589  592.2733       148.9042 1147.776       
225.6470 163.7733       198.1810 73.04940 7.357562 30.48353 11.44171 42.56586 
13.60318 
1 1 1 23  5   5  o 116.5766 4.404237  2903.733       215.0674 2909.163       
294.6289 2897.539       314.6609 116.7631 6.010223 116.3900 6.439443 0.3731613 
8.808474 
1 1 1 23  5   6  o 52.09925 6.457646  617.7410       131.7511 538.0734       
212.8265 667.2421       167.7613 48.47844 10.74134 55.72005 7.171358 -7.241608 
12.91529 
1 1 1 23  5   7  o 38.51608 8.147566  320.4106       143.8511 453.0356       
221.4297 223.5643       189.2189 44.23375 11.72980 32.79840 11.31120 11.43536 
16.29513 
1 1 1 23  5   8  o 106.0774 4.840968  2425.045       214.3503 2516.705       
291.5853 2317.270       316.1804 108.4140 6.406212 103.7407 7.259500 4.673241 
9.681936 
1 1 1 23  5   9  o 69.14661 5.764404  1017.119       165.6806 1219.741       
255.4568 870.0071       217.6689 74.98406 8.114647 63.30915 8.189380 11.67491 
11.52881 
1 1 1 23  5   10 o 36.21425 8.554880  288.2510       151.4572 272.0905       
239.4008 299.0359       195.5708 35.99332 12.69269 36.43518 11.47342 
-0.4418526     17.10976 
1 1 1 23  5   11 o 51.64323 6.803013  612.7291       141.8270 720.9846       
192.8016 485.0704       209.3684 57.59560 7.973378 45.69085 11.02494 11.90475 
13.60603 
1 1 1 23  5   12 o 71.90154 5.728567  1115.286       170.8368 1054.969       
222.5320 1201.854       266.5930 69.71828 7.602684 74.08480 8.571179 -4.366524 
11.45713 
1 1 1 23  5   13 o 54.33672 6.907692  675.1520       152.1229 766.9941       
209.2086 572.1142       221.5936 59.14727 8.424924 49.52618 10.94922 9.621090 
13.81538 
1 1 1 23  5   14 o 43.92537 7.056525  478.3879       134.1460 646.7735       
174.4957 235.0750       209.7562 54.44888 7.633380 33.40186 11.87054 21.04701 
14.11305 
1 1 1 23  5   15 f 44.58853 8.378252  440.0778       149.4127 590.4611       
274.6818 376.8849       178.0591 49.12778 13.08115 40.04928 10.47206 9.078499 
16.75650 
1 1 1 23  5   16 o 27.46146 8.024686  79.72858       152.0941 17.61967       
222.0172 134.6520       208.7797 25.86524 11.17421 29.05767 11.52039 -3.192432 
16.04937 
1 1 1 23  5   17 o 83.07289 7.013542  1597.322       238.7053 1461.760       
368.9593 1694.913       313.0494 79.14001 11.10461 87.00576 8.570102 -7.865746 
14.02708 
1 1 1 23  5   18 f 35.58378 9.014812  273.5680       183.6180 442.1406       
253.9221 88.80356       265.8375 41.82827 13.05399 29.33929 12.43627 12.48898 
18.02962 
1 1 1 23  5   19 o 45.61246 9.321763  542.7478       188.4972 535.5269       
262.4760 550.4381       270.8728 45.36567 13.06817 45.85925 13.29677 
-0.4935875     18.64353 
1 1 1 23  5   20 f 25.69677 7.959465  12.01388       160.6346 -43.38637      
205.9120 98.14893       256.7531 22.72892 10.23923 28.66462 12.18895 -5.935701 
15.91893 
1 1 1 23  5   21 o 39.18263 9.082228  386.2389       192.5687 134.3652       
271.2206 642.2887       273.4598 29.74627 12.58278 48.61900 13.10043 -18.87273 
18.16446 
1 1 1 23  5   22 o 42.40078 9.506686  504.2972       195.1572 368.6337       
270.4344 651.7195       281.9111 36.78090 13.43765 48.02065 13.45131 -11.23975 
19.01337 
1 1 1 23  5   23 o 30.14516 8.708134  197.7079       174.3672 220.0263       
230.0032 167.5461       267.3815 30.60903 12.10554 29.68129 12.52127 0.9277363 
17.41627 
1 1 1 23  5   24 o 28.67691 8.794373  125.9064       196.7588 237.2478       
292.6060 34.00688       265.8345 31.47598 13.17974 25.87784 11.64725 5.598139 
17.58875 
1 1 1 23  5   25 o 26.46092 8.407874  61.17830       195.8546 122.6879       
285.6888 6.635964       269.0225 27.92302 12.34934 24.99882 11.41329 2.924196 
16.81575 
1 1 1 23  5   26 o 34.92544 9.216046  361.6906       201.6492 105.1612       
283.8229 623.1672       286.5466 26.89886 12.07399 42.95202 13.92698 -16.05316 
18.43209 
1 1 1 23  5   27 o 30.89128 8.973848  283.0929       196.4706 113.3200       
281.0810 445.2813       274.7307 26.32934 11.90653 35.45322 13.42960 -9.123877 
17.94770 
1 1 1 23  5   28 o 22.38814 7.312517  13.53575       165.2081 104.4025       
218.3721 -108.0813      252.6339 23.95883 10.67647 20.81746 9.995225 3.141375 
14.62503 
1 1 1 23  5   29 o 21.66330 7.295437  -81.51494      185.1650 207.6272       
273.3049 -326.8424      251.7473 25.80607 11.70155 17.52053 8.715919 8.285536 
14.59087 
1 1 1 23  6   0  o 34.69748 6.839996  244.0748       123.3886 6.907687       
174.9935 478.5741       174.0064 23.37066 10.00402 46.02430 9.330689 -22.65364 
13.67999 
1 1 1 23  6   1  o 111.1611 5.072141  2648.271       236.3146 2850.851       
345.4396 2470.068       323.9893 115.1540 7.145195 107.1683 7.200879 7.985748 
10.14428 
1 1 1 23  6   2  o 20.10352 6.523197  -116.6803      124.8433 -83.62621      
182.7932 -145.5780      170.9148 21.27005 9.611082 18.93699 8.822442 2.333054 
13.04639 
1 1 1 23  6   3  o 76.69981 5.086062  1262.218       163.6839 1313.398       
236.1536 1214.895       227.0808 78.19434 7.193501 75.20529 7.192055 2.989044 
10.17212 
1 1 1 23  6   4  o 26.22991 7.079898  25.85938       130.3104 -222.0286      
189.9587 246.2027       179.0942 18.73090 8.901712 33.72892 11.01178 -14.99802 
14.15980 
1 1 1 23  6   5  o 101.9988 5.319429  2223.058       226.4692 2587.844       
334.5970 1914.664       307.6491 109.7518 7.261582 94.24571 7.775263 15.50612 
10.63886 
1 1 1 23  6   6  o 35.51835 7.432892  250.7532       143.6762 -33.41556      
211.4527 494.4669       195.8237 24.44427 10.73234 46.59243 10.28633 -22.14817 
14.86578 
1 1 1 23  6   7  o 59.01050 6.278467  782.6887       146.1919 1014.798       
207.2688 552.9042       206.2283 68.72064 7.184024 49.30036 10.29885 19.42028 
12.55693 
1 1 1 23  6   8  o 58.76064 5.822662  686.2360       137.3246 991.2972       
240.8336 539.2651       167.1627 67.57996 8.488291 49.94131 7.972608 17.63865 
11.64532 
1 1 1 23  6   9  o 96.04179 5.483558  1982.675       220.2481 2110.411       
329.5289 1879.540       296.1013 98.75364 7.948066 93.32996 7.556842 5.423683 
10.96712 
1 1 1 23  6   10 o 80.54370 4.461685  1389.170       150.8346 1433.263       
214.9459 1346.391       211.7155 81.81581 6.257675 79.27159 6.361450 2.544220 
8.923370 
1 1 1 23  6   11 o 26.74848 7.667110  63.25771       140.5447 -58.02018      
209.3078 162.8371       189.6616 23.52782 10.46937 29.96914 11.20404 -6.441319 
15.33422 
1 1 1 23  6   12 o 69.27271 5.570876  1042.644       161.8378 1043.666       
223.8002 1041.525       234.3076 69.36510 7.684939 69.18031 8.067239 0.1847916 
11.14175 
1 1 1 23  6   13 o 60.20464 6.054481  794.0474       152.0855 791.9569       
204.1237 796.6560       228.0172 60.25753 8.068693 60.15175 9.029016 0.1057816 
12.10896 
1 1 1 23  6   14 o 52.50854 7.063027  629.8140       151.1269 587.9250       
225.9128 663.7435       203.3197 50.14219 11.02998 54.87490 8.825243 -4.732708 
14.12605 
1 1 1 23  6   15 f 64.64629 5.956064  947.3945       155.6570 788.0426       
241.3330 1060.910       203.6882 59.36352 9.683184 69.92905 6.937922 -10.56553 
11.91213 
1 1 1 23  6   16 o 44.17311 9.519155  474.5671       191.5533 512.8912       
287.9843 444.1574       256.5303 45.57444 13.83815 42.77178 13.07528 2.802654 
19.03831 
1 1 1 23  6   17 o 30.90802 8.631070  161.2721       162.3656 143.1575       
209.4285 188.5643       257.0630 29.31869 11.56526 32.49736 12.81508 -3.178663 
17.26214 
1 1 1 23  6   18 o 71.38580 8.279103  1193.988       238.0635 917.1465       
315.1130 1562.102       363.3643 60.74887 12.76058 82.02272 10.55186 -21.27385 
16.55821 
1 1 1 23  6   19 o 28.88674 8.614683  68.32756       183.8351 -61.00512      
256.3678 205.2196       263.7536 25.13988 11.36973 32.63360 12.94528 -7.493721 
17.22937 
1 1 1 23  6   20 o 38.78286 9.251357  358.5805       191.4964 578.3316       
278.4726 161.4370       263.7596 46.65787 13.46704 30.90786 12.68816 15.75001 
18.50271 
1 1 1 23  6   21 o 25.36459 8.068716  -31.60650      181.4299 25.98847       
255.1867 -90.47733      257.9977 26.59182 11.72746 24.13735 11.08528 2.454470 
16.13743 
1 1 1 23  6   22 o 54.09137 9.223924  801.2510       207.7277 870.1311       
286.0223 724.3657       302.1863 57.47275 12.22044 50.70998 13.81969 6.762764 
18.44785 
1 1 1 23  6   23 o 21.82233 7.348966  -252.1296      192.8504 -477.7292      
287.5981 -67.81306      259.9555 19.54150 9.641453 24.10315 11.09376 -4.561649 
14.69793 
1 1 1 23  6   24 o 46.82273 9.360554  644.6743       191.9601 620.6150       
293.2809 662.7066       253.9023 45.06367 14.02236 48.58179 12.40376 -3.518120 
18.72111 
1 1 1 23  6   25 o 54.52319 9.736132  895.8915       223.0751 779.3540       
301.0300 1037.832       332.2231 50.26717 13.83513 58.77920 13.70249 -8.512035 
19.47226 
1 1 1 23  6   26 o 36.82793 8.472020  313.7109       171.3454 762.8824       
279.8216 44.25636       216.7294 49.75090 13.18289 23.90495 10.64481 25.84596 
16.94404 
1 1 1 23  6   27 o 27.46473 8.403937  147.9279       185.9093 -2.374895      
272.3110 279.1396       254.4298 24.21019 11.22381 30.71927 12.51123 -6.509081 
16.80787 
1 1 1 23  6   28 o 22.93926 7.445549  26.59702       163.5341 43.93665       
222.5890 6.260581       241.0578 23.06874 10.49002 22.80978 10.56902 0.2589645 
14.89110 
1 1 1 23  6   29 o 28.30157 8.390100  281.1155       167.3440 273.7164       
223.5920 290.5384       252.3249 28.18456 11.64287 28.41857 12.08382 
-0.2340107     16.78020 
1 1 1 23  6   30 o 26.04054 8.074698  215.6682       166.1193 140.8452       
214.1752 328.6500       263.1819 23.65891 10.55725 28.42218 12.22078 -4.763271 
16.14940 
1 1 1 23  7   0  o 81.35812 4.621897  1414.530       157.6220 1318.280       
216.6040 1522.869       229.8034 78.41393 6.579523 84.30231 6.492888 -5.888374 
9.243793 
1 1 1 23  7   1  o 54.18239 5.983507  636.8037       135.9075 643.5326       
198.0809 630.8183       186.8179 54.40812 8.671614 53.95666 8.246970 0.4514618 
11.96701 
1 1 1 23  7   2  o 41.90311 7.354126  407.4662       131.9534 280.0891       
191.7022 522.1547       181.9036 35.61449 11.37572 48.19173 9.323397 -12.57724 
14.70825 
1 1 1 23  7   3  o 21.65583 6.703969  -91.63433      127.5879 -283.8980      
186.9009 76.15363       174.5996 17.43072 8.422452 25.88095 10.43241 -8.450239 
13.40794 
1 1 1 23  7   4  f 28.35686 7.192457  136.1013       118.1496 246.0553       
159.4191 2.110444       175.9838 33.37767 10.32872 23.33605 10.01216 10.04161 
14.38491 
1 1 1 23  7   5  o 80.16410 4.622666  1355.763       154.4548 1597.111       
233.4855 1167.967       205.9591 86.44594 6.433338 73.88226 6.639904 12.56367 
9.245332 
1 1 1 23  7   6  o 76.95274 5.296524  1237.601       168.2353 1479.441       
269.8541 1083.848       215.1679 82.85970 7.757232 71.04578 7.213738 11.81392 
10.59305 
1 1 1 23  7   7  o 37.49563 8.230625  314.2632       141.9897 314.0555       
217.7567 314.4169       187.2795 37.65342 12.13396 37.33783 11.12384 0.3155899 
16.46125 
1 1 1 23  7   8  o 73.40495 5.801735  1152.312       175.8130 1478.125       
263.2232 889.8856       236.2348 82.82892 7.569432 63.98100 8.794556 18.84792 
11.60347 
1 1 1 23  7   9  o 35.06611 8.314908  261.7031       143.5238 295.4892       
217.3014 235.5595       191.1507 36.72179 12.12965 33.41043 11.37640 3.311359 
16.62982 
1 1 1 23  7   10 o 28.17146 8.005011  99.74348       143.9886 87.80386       
219.0807 108.8230       191.0470 28.45019 11.60207 27.89273 11.03235 0.5574627 
16.01002 
1 1 1 23  7   11 o 40.38546 7.441534  370.4329       125.6976 403.6698       
198.2109 348.0749       162.5678 41.77496 11.10693 38.99596 9.906652 2.778996 
14.88307 
1 1 1 23  7   12 o 33.89208 7.585295  207.9482       126.1768 82.20914       
158.8250 423.0890       207.7519 25.14947 10.02374 42.63469 11.38734 -17.48523 
15.17059 
1 1 1 23  7   13 o 91.12440 5.269581  1802.347       201.0668 1744.628       
292.0907 1854.330       277.1964 89.61423 7.763574 92.63458 7.127473 -3.020348 
10.53916 
1 1 1 23  7   14 o 50.34573 6.790951  562.4421       139.5387 416.7306       
186.5049 747.7189       210.3071 42.32542 10.52656 58.36604 8.582517 -16.04063 
13.58190 
1 1 1 23  7   15 o 27.21636 7.759765  77.77308       143.8314 -59.84713      
219.8566 180.7411       190.1734 23.91748 10.68384 30.51524 11.25661 -6.597763 
15.51953 
1 1 1 23  7   16 o 31.52065 8.705087  154.6710       174.8262 270.6610       
234.4249 9.323589       262.4201 35.30239 12.54885 27.73891 12.06817 7.563484 
17.41017 
1 1 1 23  7   17 o 113.4892 6.829961  2924.601       322.8810 2662.901       
470.3736 3157.789       444.0112 108.0536 10.36872 118.9249 8.892874 -10.87135 
13.65992 
1 1 1 23  7   18 o 30.32238 8.297882  143.0121       165.3210 290.1714       
212.1485 -84.52917      263.8009 35.35218 11.98497 25.29259 11.47954 10.05959 
16.59576 
1 1 1 23  7   19 o 91.47630 7.451304  1950.797       285.8724 1879.297       
393.5012 2030.709       416.0061 89.79124 10.43838 93.16135 10.63616 -3.370102 
14.90261 
1 1 1 23  7   20 o 25.20539 7.894298  -13.13973      162.4911 43.25628       
255.4627 -51.46007      210.5804 27.45123 11.92448 22.95955 10.34826 4.491680 
15.78860 
1 1 1 23  7   21 o 37.88116 8.585663  363.6442       154.7577 318.7757       
211.2960 415.5671       227.3001 35.70212 11.96086 40.06020 12.32040 -4.358086 
17.17133 
1 1 1 23  7   22 o 28.17439 8.483046  30.45847       190.5095 -199.5078      
266.2312 271.7863       272.7285 22.42753 10.60156 33.92124 13.24594 -11.49371 
16.96609 
1 1 1 23  7   23 o 29.99162 8.849771  133.2811       196.2720 -45.70767      
281.0889 303.5807       274.1811 25.52593 11.65914 34.45732 13.31684 -8.931389 
17.69954 
1 1 1 23  7   24 o 24.49424 7.976181  -58.40619      188.6595 -9.235937      
280.4488 -99.04997      254.9761 25.85430 11.76151 23.13419 10.77705 2.720104 
15.95236 
1 1 1 23  7   25 o 36.79923 9.032263  287.0860       198.5842 762.5186       
312.6599 -34.39581      257.1023 49.45465 14.26830 24.14382 11.07893 25.31083 
18.06453 
1 1 1 23  7   26 o 24.54637 7.915711  4.847034       180.5287 13.67601       
273.8245 -1.941044      240.0992 25.26376 11.52732 23.82898 10.85149 1.434776 
15.83142 
1 1 1 23  7   27 o 20.26922 6.831428  -148.7846      162.2106 -102.4126      
216.8752 -207.6649      244.3808 20.53204 9.661845 20.00640 9.660352 0.5256462 
13.66286 
1 1 1 23  7   28 f 24.14995 7.686635  43.62451       165.9673 -66.97767      
225.2177 175.0668       245.5208 21.14133 9.922724 27.15857 11.74210 -6.017237 
15.37327 
1 1 1 23  7   29 o 20.20621 6.846280  -101.2907      165.0615 -79.68096      
221.5046 -128.2746      247.5204 20.13883 9.590561 20.27359 9.772785 
-0.1347561     13.69256 
1 1 1 23  7   30 o 23.78780 7.600148  98.10758       162.5654 -38.35513      
214.1051 283.8739       249.8064 19.97187 9.472078 27.60374 11.88818 -7.631870 
15.20030 
1 1 1 23  8   0  o 94.29424 4.594112  1902.726       181.6412 1966.624       
265.0641 1846.154       249.4091 95.75514 6.593407 92.83333 6.399254 2.921814 
9.188225 
1 1 1 23  8   1  o 33.34404 7.601566  229.4078       124.7911 339.0245       
184.9936 137.8766       169.0453 38.53171 10.92998 28.15636 10.56743 10.37535 
15.20313 
1 1 1 23  8   2  o 45.16422 6.826387  449.0752       130.3641 684.1089       
193.9735 255.4653       176.0520 56.21806 8.218406 34.11039 10.90211 22.10767 
13.65277 
1 1 1 23  8   3  o 22.34316 6.870522  -37.99632      124.5571 -137.8268      
180.1927 53.35270       172.3684 19.78940 9.157369 24.89692 10.24495 -5.107521 
13.74104 
1 1 1 23  8   4  o 60.07928 5.625145  778.7811       141.7939 779.0720       
204.1918 778.5101       197.0525 60.06068 8.097838 60.09789 7.809869 
-0.3720856E-01 11.25029 
1 1 1 23  8   5  o 78.96915 4.996486  1291.761       161.4869 1544.697       
266.9865 1145.842       202.7866 84.74812 7.503782 73.19016 6.599449 11.55796 
9.992971 
1 1 1 23  8   6  o 68.46198 5.657355  1031.339       158.7007 801.0570       
228.9200 1244.425       220.2068 60.71388 8.980835 76.21009 6.882389 -15.49621 
11.31471 
1 1 1 23  8   7  o 46.14161 7.400832  459.7204       146.2758 698.7240       
223.3512 280.2185       193.5623 56.59817 9.399550 35.68505 11.43406 20.91312 
14.80166 
1 1 1 23  8   8  o 40.07577 8.093602  358.9082       142.7153 440.4136       
217.6483 297.4310       189.0249 43.69540 11.64849 36.45614 11.24003 7.239258 
16.18720 
1 1 1 23  8   9  o 76.05214 5.636382  1245.923       179.5697 1139.073       
246.6946 1366.337       261.8855 72.56058 8.098042 79.54371 7.841998 -6.983131 
11.27276 
1 1 1 23  8   10 o 79.55533 5.246267  1340.691       173.6080 1548.782       
268.5710 1191.328       227.5373 84.73006 7.549927 74.38061 7.286417 10.34945 
10.49253 
1 1 1 23  8   11 o 42.04551 7.811449  409.6168       141.6352 495.0585       
198.4909 320.9831       202.1645 46.45171 10.43377 37.63931 11.62804 8.812397 
15.62290 
1 1 1 23  8   12 o 47.74384 6.986914  524.6016       134.6337 455.9901       
213.2206 570.0959       173.6238 44.26175 11.40583 51.22593 8.073103 -6.964184 
13.97383 
1 1 1 23  8   13 o 24.73279 7.574528  -2.187607      143.9816 -12.28363      
218.4540 5.566613       191.4493 25.24221 10.99669 24.22337 10.41954 1.018833 
15.14906 
1 1 1 23  8   14 o 56.42352 7.177310  708.6232       161.9715 1076.832       
246.1993 427.6441       215.0684 70.16627 8.357561 42.68077 11.67075 27.48550 
14.35462 
1 1 1 23  8   15 o 32.07114 8.591287  181.6722       161.9442 106.2282       
226.7829 260.1736       231.3324 29.11351 11.82710 35.02877 12.46437 -5.915266 
17.18257 
1 1 1 23  8   16 o 29.16616 8.646932  55.56892       184.0048 -74.15700      
265.9901 174.6222       254.8137 25.98273 11.67498 32.34961 12.75823 -6.366880 
17.29386 
1 1 1 23  8   17 o 76.97444 6.554511  1322.696       211.5050 1424.813       
306.9456 1230.375       291.8514 79.85481 9.155486 74.09408 9.382086 5.760735 
13.10902 
1 1 1 23  8   18 o 38.34650 9.226953  339.5865       183.9553 463.0918       
258.4064 212.6865       261.9337 43.27171 13.10214 33.42128 12.99541 9.850430 
18.45391 
1 1 1 23  8   19 o 32.31406 9.044221  190.5657       182.7491 160.2976       
259.2582 220.4576       257.6419 31.34674 12.68068 33.28138 12.89931 -1.934647 
18.08844 
1 1 1 23  8   20 o 28.11301 8.284547  97.50060       163.2473 24.72975       
253.2672 149.2233       213.5210 27.00406 11.80162 29.22197 11.62999 -2.217907 
16.56909 
1 1 1 23  8   21 o 30.36311 8.147295  141.2001       166.6867 -143.4111      
253.6988 357.3854       221.1085 23.11599 10.76140 37.61023 12.23544 -14.49424 
16.29459 
1 1 1 23  8   22 o 31.51088 8.760315  167.4227       173.9261 368.2898       
273.4022 30.87200       225.4210 37.56768 13.53210 25.45409 11.12901 12.11359 
17.52063 
1 1 1 23  8   23 o 46.52299 9.643166  609.3782       199.5558 628.6069       
301.4057 594.3705       266.2767 46.69866 14.15243 46.34731 13.10234 0.3513527 
19.28633 
1 1 1 23  8   24 o 32.17040 9.049916  238.9250       181.0977 321.4051       
283.2061 181.8678       235.5502 34.76130 13.51356 29.57950 12.04108 5.181799 
18.09983 
1 1 1 23  8   25 o 30.84581 8.613666  222.4916       168.8954 329.0761       
241.6892 120.7655       236.1165 34.38673 12.68894 27.30489 11.65211 7.081842 
17.22733 
1 1 1 23  8   26 o 31.76355 8.663876  267.5070       164.0755 202.4007       
221.7034 346.3455       243.9665 29.10340 11.74564 34.42371 12.73935 -5.320318 
17.32775 
1 1 1 23  8   27 o 35.41286 9.197625  396.8981       185.5889 287.7823       
276.0313 486.9174       250.7160 31.66200 12.98587 39.16373 13.02891 -7.501730 
18.39525 
1 1 1 23  8   28 o 21.73736 7.300188  -112.9317      179.2762 -43.21712      
265.5046 -171.3531      243.0505 23.17130 10.85712 20.30342 9.761859 2.867886 
14.60038 
1 1 1 23  8   29 o 28.49426 8.145450  245.5718       151.2778 219.7760       
222.0220 267.9255       206.6793 27.65611 11.52386 29.33241 11.51495 -1.676294 
16.29090 
1 1 1 23  8   30 o 26.05648 7.770875  207.4661       147.7631 144.5737       
213.4280 265.3636       204.7775 24.20680 10.69393 27.90615 11.27767 -3.699347 
15.54175 
1 1 1 23  9   0  o 60.38031 6.812743  820.7577       164.1132 1055.392       
235.5413 599.3850       228.7882 69.76212 8.042081 50.99851 10.99904 18.76360 
13.62549 
1 1 1 23  9   1  f 36.06244 7.647032  293.2673       124.8774 301.7819       
178.0519 285.0242       175.1895 36.52585 10.83910 35.59903 10.78992 0.9268265 
15.29406 
1 1 1 23  9   2  o 55.66579 6.069996  677.8653       136.4749 847.0342       
201.0788 533.3794       185.8311 62.66855 7.642538 48.66304 9.432446 14.00551 
12.13999 
1 1 1 23  9   3  o 130.0649 5.651707  3661.929       306.4384 3723.215       
411.9887 3586.036       458.4662 131.5219 7.461195 128.6079 8.491037 2.913986 
11.30341 
1 1 1 23  9   4  o 32.12717 7.569510  202.4101       131.8177 36.04125       
196.1700 339.3713       177.9899 25.64044 10.76639 38.61391 10.64307 -12.97346 
15.13902 
1 1 1 23  9   5  o 145.0755 6.037988  4525.395       366.3653 5004.713       
546.9861 4135.411       493.3871 151.9722 8.573009 138.1788 8.504865 13.79340 
12.07598 
1 1 1 23  9   6  o 85.12006 5.064971  1524.544       177.0621 1700.308       
287.3084 1416.910       224.8327 88.85146 7.702024 81.38866 6.579860 7.462799 
10.12994 
1 1 1 23  9   7  f 48.68643 7.500205  545.0387       149.1753 458.9666       
214.9537 625.0068       207.1917 44.64806 11.42076 52.72480 9.725150 -8.076744 
15.00041 
1 1 1 23  9   8  o 28.35588 7.796045  85.78131       138.5741 228.7794       
210.9270 -22.80876      183.8070 33.66356 11.90964 23.04820 10.06348 10.61536 
15.59209 
1 1 1 23  9   9  o 60.73743 6.173865  793.9738       156.6570 889.7638       
235.8450 718.3394       209.5685 63.97211 8.781264 57.50275 8.680774 6.469357 
12.34773 
1 1 1 23  9   10 o 30.48721 7.361823  175.9150       125.5493 8.815316       
190.6311 303.9146       166.8439 24.39213 10.44136 36.58229 10.38093 -12.19016 
14.72365 
1 1 1 23  9   11 o 32.49565 7.698102  196.4944       138.8218 368.9551       
192.3569 9.036442       200.5463 40.04778 11.07571 24.94351 10.69448 15.10427 
15.39620 
1 1 1 23  9   12 o 51.50877 7.167601  586.1642       152.5148 295.3346       
202.6113 966.4174       231.6759 36.36115 11.70307 66.65639 8.278662 -30.29525 
14.33520 
1 1 1 23  9   13 o 31.10385 8.254317  176.6113       145.3763 168.2351       
221.5823 182.9416       192.6308 31.30152 12.00103 30.90617 11.33624 0.3953514 
16.50863 
1 1 1 23  9   14 o 68.16736 6.799016  1009.574       180.7441 653.4084       
236.5596 1509.119       280.1568 53.10368 10.98302 83.23103 8.017464 -30.12735 
13.59803 
1 1 1 23  9   15 o 27.02037 7.607404  65.63393       143.4594 207.2559       
185.5679 -144.7380      226.1681 31.63101 11.17279 22.40973 10.32759 9.221279 
15.21481 
1 1 1 23  9   16 o 30.61612 8.063825  91.08749       170.0107 359.9813       
224.8346 -267.9476      259.8012 39.20988 12.29293 22.02237 10.43959 17.18751 
16.12765 
1 1 1 23  9   17 o 63.86478 7.047164  909.5731       182.8383 1117.611       
281.1334 757.0787       240.6956 70.64722 9.478473 57.08235 10.43114 13.56488 
14.09433 
1 1 1 23  9   18 o 47.16333 8.614264  534.1343       189.4190 857.0287       
272.1007 230.5299       263.8477 60.15189 11.19254 34.17477 13.09768 25.97712 
17.22853 
1 1 1 23  9   19 o 74.60922 6.991010  1270.293       218.5613 1382.350       
318.2146 1170.224       300.7121 77.80469 9.741715 71.41376 10.02975 6.390930 
13.98202 
1 1 1 23  9   20 o 42.49434 8.947286  456.9973       170.0113 441.6982       
268.5630 467.2282       219.6193 41.64711 13.48078 43.34157 11.76793 -1.694462 
17.89457 
1 1 1 23  9   21 o 39.06629 9.019278  385.3592       168.6409 417.8059       
257.4076 360.9594       223.2184 40.23787 13.20163 37.89471 12.29254 2.343166 
18.03856 
1 1 1 23  9   22 o 25.92082 7.749625  -22.87189      157.0690 240.5942       
239.7294 -221.0418      207.9112 32.67583 12.49587 19.16581 9.169514 13.51002 
15.49925 
1 1 1 23  9   23 o 34.77925 9.263494  291.7242       183.7874 391.9473       
281.5092 217.2720       242.6316 38.06796 13.72938 31.49055 12.43999 6.577417 
18.52699 
1 1 1 23  9   24 o 41.56291 9.523310  499.2796       191.7369 437.5271       
299.0385 542.3895       249.8551 38.96712 14.14081 44.15870 12.75975 -5.191582 
19.04662 
1 1 1 23  9   25 o 47.62887 8.583455  632.6437       170.4725 601.4288       
273.0628 652.5796       218.2226 45.23085 13.42319 50.02690 10.70144 -4.796051 
17.16691 
1 1 1 23  9   26 o 25.98992 8.209084  47.31265       181.0382 118.3298       
275.7966 -6.455661      239.9775 27.97967 12.27092 24.00017 10.90782 3.979498 
16.41817 
1 1 1 23  9   27 o 29.53042 8.695971  206.6756       183.2714 102.1272       
270.3002 295.6363       249.3370 26.94032 11.95096 32.12052 12.63544 -5.180201 
17.39194 
1 1 1 23  9   28 o 28.06585 8.308928  191.5764       161.0404 199.0456       
266.5785 187.2842       202.0817 28.65737 12.30986 27.47434 11.16335 1.183027 
16.61786 
1 1 1 23  9   29 o 28.10799 8.657526  209.4378       192.0620 237.4240       
269.1023 180.3808       274.2028 28.78382 12.36622 27.43216 12.11972 1.351656 
17.31505 
1 1 1 23  9   30 f 26.71728 8.058448  206.9988       173.3821 329.4312       
218.7411 0.7134150E-01  284.3750 30.47617 11.87047 22.95838 10.90167 7.517788 
16.11690 
1 1 1 23  9   31 o 29.87659 8.964924  378.7423       197.3416 267.8865       
268.2028 509.6079       291.4050 26.94690 11.93542 32.80627 13.38003 -5.859369 
17.92985 
1 1 1 23  10  0  o 89.22581 8.116398  1729.366       304.0414 0.000000       
0.000000 1729.366       304.0414 ?        ?        89.22581 8.116398 ? ? 
1 1 1 23  10  1  o 63.44138 7.751328  903.3940       190.5996 925.4081       
326.4276 892.0060       234.7781 62.91628 12.80251 63.96647 8.742312 -1.050190 
15.50266 
1 1 1 23  10  2  o 103.1627 5.034602  2283.246       214.7118 2257.171       
279.6411 2320.697       335.1338 102.6560 6.488403 103.6694 7.699966 -1.013390 
10.06920 
1 1 1 23  10  3  o 101.8847 4.908767  2220.266       208.9656 2152.148       
280.3469 2305.426       313.4624 100.2208 6.662836 103.5486 7.210451 -3.327805 
9.817534 
1 1 1 23  10  4  o 28.34432 7.712856  128.1576       128.6284 117.6814       
195.1378 136.2069       171.0491 28.48714 11.18701 28.20150 10.62090 0.2856426 
15.42571 
1 1 1 23  10  5  o 28.29092 7.469682  110.5657       131.8490 -61.73270      
198.3733 246.9136       176.4683 22.87444 10.18504 33.70739 10.92930 -10.83295 
14.93936 
1 1 1 23  10  6  o 53.42410 6.759835  612.4124       146.4529 786.8747       
231.1328 495.3811       189.3049 60.11309 9.158273 46.73512 9.945227 13.37797 
13.51967 
1 1 1 23  10  7  o 27.06312 7.559987  40.81992       136.9377 223.3572       
206.2968 -102.9618      183.0916 33.30477 11.77866 20.82147 9.480342 12.48329 
15.11997 
1 1 1 23  10  8  o 49.44746 7.163625  509.3376       147.2512 881.2593       
236.2514 273.0667       188.3015 63.67374 8.837618 35.22118 11.27682 28.45255 
14.32725 
1 1 1 23  10  9  o 100.2628 4.805469  2138.726       200.9729 2016.620       
266.6828 2299.218       305.7412 97.05293 6.544967 103.4726 7.038007 -6.419647 
9.610938 
1 1 1 23  10  10 o 61.56104 5.855258  823.7077       150.7901 748.6297       
213.8321 897.9729       212.6715 58.66641 8.681691 64.45567 7.859034 -5.789261 
11.71052 
1 1 1 23  10  11 o 27.48618 7.541646  114.8550       123.4925 131.8724       
189.4746 102.2874       162.8280 28.71472 11.07590 26.25763 10.23866 2.457098 
15.08329 
1 1 1 23  10  12 o 33.56289 8.138400  206.0196       146.5361 378.0351       
219.6316 68.01718       196.7227 40.49062 12.04299 26.63516 10.94991 13.85546 
16.27680 
1 1 1 23  10  13 o 70.83849 6.771048  1122.943       185.8271 714.4926       
252.6525 1604.300       274.2755 55.60999 11.21483 86.06699 7.590520 -30.45700 
13.54210 
1 1 1 23  10  14 o 29.53579 8.371574  99.21612       162.8144 209.8393       
231.6017 -8.869821      228.9303 33.19550 12.38680 25.87608 11.26500 7.319426 
16.74315 
1 1 1 23  10  15 o 45.40447 7.944664  494.9309       152.2201 582.7066       
202.5604 381.0521       230.7219 50.42925 9.920839 40.37969 12.41160 10.04956 
15.88933 
1 1 1 23  10  16 o 27.78413 8.223371  63.98367       161.0765 47.99640       
226.9682 80.20647       228.6340 27.24455 11.51687 28.32372 11.74125 -1.079170 
16.44674 
1 1 1 23  10  17 o 37.66948 9.016830  326.7508       170.2081 275.9943       
262.6157 363.5157       223.5073 36.09941 13.23677 39.23956 12.24749 -3.140152 
18.03366 
1 1 1 23  10  18 o 26.43776 8.137801  10.83120       167.0183 49.61915       
210.8195 -54.54714      273.7028 26.27545 11.10303 26.60006 11.90033 
-0.3246040     16.27560 
1 1 1 23  10  19 o 37.48176 9.193486  313.5210       186.2321 472.4135       
263.3900 154.6721       263.3539 43.49712 13.23938 31.46640 12.75929 12.03071 
18.38697 
1 1 1 23  10  20 o 68.19498 6.847727  1067.806       195.2374 1075.310       
289.5152 1061.547       264.4051 68.14400 10.11963 68.24596 9.228135 
-0.1019592     13.69545 
1 1 1 23  10  21 o 36.59410 9.020482  304.8835       165.7827 435.4250       
276.4154 231.5460       207.1816 41.00983 13.68038 32.17838 11.76111 8.831451 
18.04096 
1 1 1 23  10  22 o 32.91949 8.795934  238.9548       157.2924 268.0578       
285.1584 226.2276       188.5750 34.50739 13.53017 31.33160 11.24314 3.175787 
17.59187 
1 1 1 23  10  23 o 36.03442 9.329288  332.9166       183.7247 331.4545       
279.5791 334.0279       243.7437 36.07039 13.57969 35.99845 12.79587 
0.7194519E-01  18.65858 
1 1 1 23  10  24 o 35.32875 9.286800  326.4312       182.3184 349.4619       
279.7511 309.4270       240.3789 36.12299 13.58694 34.53452 12.66387 1.588470 
18.57360 
1 1 1 23  10  25 o 37.16992 8.564935  394.9999       163.4460 231.3312       
272.4711 486.9992       204.2817 31.63674 12.92634 42.70310 11.24020 -11.06636 
17.12987 
1 1 1 23  10  26 o 32.13728 8.920696  264.6169       182.7062 141.7024       
268.7629 370.2248       249.1244 28.53962 12.31156 35.73494 12.91282 -7.195320 
17.84139 
1 1 1 23  10  27 o 34.16921 9.017911  305.2073       187.3585 560.6843       
278.7994 94.81752       253.0045 41.83483 13.73924 26.50359 11.68435 15.33124 
18.03582 
1 1 1 23  10  28 o 24.94823 7.724759  23.63546       171.9223 -254.7642      
258.3727 244.8432       230.3098 19.99252 9.716409 29.90395 12.01162 -9.911428 
15.44952 
1 1 1 23  10  29 o 32.54798 9.053389  311.4533       193.6038 103.3214       
260.9657 566.2254       288.7287 25.73462 11.56381 39.36134 13.93319 -13.62671 
18.10678 
1 1 1 23  10  30 o 26.25024 8.375720  164.6690       195.2012 156.5655       
266.1085 174.1086       287.2101 25.94987 11.66792 26.55060 12.01958 
-0.6007366     16.75144 
1 1 1 23  10  31 o 21.93279 7.372961  1.995810       185.5278 52.96804       
237.9842 -76.97893      296.2275 22.30767 10.39965 21.55791 10.45416 0.7497616 
14.74592 
1 1 1 23  11  0  o 108.6679 6.951464  2611.159       316.0182 2622.359       
430.1622 2598.027       465.7961 109.1631 9.385929 108.1727 10.25650 0.9904099 
13.90293 
1 1 1 23  11  1  o 84.89633 6.081578  1578.823       210.9560 1537.013       
336.5525 1605.880       270.7451 83.58093 9.591061 86.21174 7.480236 -2.630806 
12.16316 
1 1 1 23  11  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  11  3  o 52.64542 7.939025  600.9883       164.0896 784.8680       
281.2840 506.1325       202.0275 58.27767 11.90800 47.01316 10.50296 11.26451 
15.87805 
1 1 1 23  11  4  o 123.9470 4.595682  3289.822       238.7147 3274.404       
347.6736 3303.573       328.3424 123.5964 6.700188 124.2976 6.291951 
-0.7011642     9.191363 
1 1 1 23  11  5  o 53.64774 6.747281  645.8150       146.7322 522.1893       
208.4658 767.2006       206.5685 47.77162 10.66662 59.52385 8.265975 -11.75223 
13.49456 
1 1 1 23  11  6  o 46.59066 7.313550  493.0911       139.1932 529.0289       
204.6475 462.1531       189.8789 48.16450 10.41542 45.01682 10.26992 3.147682 
14.62710 
1 1 1 23  11  7  o 96.37498 5.177624  2009.886       208.0156 1779.696       
298.5416 2227.095       290.0012 90.81249 7.830335 101.9375 6.776211 -11.12499 
10.35525 
1 1 1 23  11  8  o 79.15849 4.883116  1346.656       161.1284 1323.398       
241.4517 1365.330       216.3494 78.43255 7.332549 79.88443 6.450815 -1.451881 
9.766232 
1 1 1 23  11  9  o 58.14552 6.054151  736.0184       147.1278 814.8495       
208.2753 657.4970       207.8656 61.36647 8.084027 54.92456 9.014404 6.441906 
12.10830 
1 1 1 23  11  10 o 111.7129 4.482956  2657.558       209.5147 2521.497       
282.2812 2824.454       312.6355 108.5943 6.191500 114.8316 6.484822 -6.237244 
8.965913 
1 1 1 23  11  11 o 28.27137 7.803449  100.2198       138.6674 205.2073       
201.1032 5.056808       191.4626 32.25106 11.60688 24.29168 10.43339 7.959377 
15.60690 
1 1 1 23  11  12 o 45.05361 7.371181  466.5458       136.5857 463.6363       
187.5826 469.8291       199.2694 44.97142 10.17206 45.13580 10.67083 
-0.1643753     14.74236 
1 1 1 23  11  13 o 35.72905 8.535703  265.9455       159.5658 394.0529       
223.2399 132.1282       228.1607 41.18935 12.11269 30.26874 12.02978 10.92061 
17.07141 
1 1 1 23  11  14 o 67.95251 6.550531  1025.232       185.1926 1114.255       
253.9515 924.1181       270.6488 71.39053 8.472884 64.51450 9.992401 6.876030 
13.10106 
1 1 1 23  11  15 o 30.05335 7.007609  91.12091       145.9256 398.9772       
185.7821 -404.7365      235.7806 41.40377 10.63335 18.70293 9.130075 22.70083 
14.01522 
1 1 1 23  11  16 o 34.10221 7.802750  261.1923       140.0752 63.33189       
228.1890 380.8326       177.4410 27.78306 11.63644 40.42135 10.39831 -12.63829 
15.60550 
1 1 1 23  11  17 o 35.66645 9.282704  250.9569       187.7800 373.1144       
271.2446 138.5271       260.2205 40.01636 13.55181 31.31655 12.68947 8.699814 
18.56541 
1 1 1 23  11  18 o 45.54407 8.890560  493.0191       193.0940 217.1421       
269.9945 781.8605       276.2656 33.99306 13.19877 57.09507 11.91473 -23.10201 
17.78112 
1 1 1 23  11  19 o 54.54800 8.559902  669.9291       184.7580 521.2699       
226.7328 963.7275       318.7449 46.28771 11.66395 62.80828 12.53156 -16.52058 
17.11980 
1 1 1 23  11  20 o 31.54261 8.928494  171.0952       180.5849 122.8595       
261.5726 215.0226       249.6179 30.24867 12.55008 32.83656 12.70305 -2.587883 
17.85699 
1 1 1 23  11  21 f 51.86682 8.470366  712.1747       193.2290 386.5739       
294.1867 959.2285       256.2572 39.26879 14.04773 64.46485 9.468348 -25.19606 
16.94073 
1 1 1 23  11  22 o 69.32182 7.042154  1105.781       201.3689 1286.095       
323.3056 991.4957       257.3911 73.40862 10.49028 65.23502 9.397962 8.173592 
14.08431 
1 1 1 23  11  23 o 32.12994 9.017231  220.3493       179.4137 231.2309       
278.9025 212.6676       234.3356 32.88509 13.21440 31.37477 12.27279 1.510319 
18.03446 
1 1 1 23  11  24 o 41.28741 9.244580  472.7498       183.8948 367.6741       
262.9108 573.3986       257.3127 36.92332 13.27290 45.65149 12.87164 -8.728176 
18.48916 
1 1 1 23  11  25 o 52.44544 8.630444  753.6195       186.3476 687.2161       
278.6498 807.3444       250.6406 49.14205 13.21642 55.74883 11.10246 -6.606777 
17.26089 
1 1 1 23  11  26 o 20.93975 7.153494  -268.0932      190.4735 -198.6715      
267.9083 -339.0512      270.8563 21.83170 10.43628 20.04779 9.786417 1.783909 
14.30699 
1 1 1 23  11  27 f 22.59660 7.480093  -105.4854      172.8704 -182.2245      
222.3653 11.74539       274.8397 19.77988 9.468004 25.41332 11.58292 -5.633448 
14.96019 
1 1 1 23  11  28 o 25.51093 7.997510  67.16409       170.8277 171.1631       
256.6880 -15.51608      228.8715 28.13768 12.08274 22.88418 10.48084 5.253494 
15.99502 
1 1 1 23  11  29 o 26.48691 8.376282  114.1546       193.0964 176.6851       
265.7263 44.18985       281.0791 27.78174 12.11540 25.19207 11.57003 2.589668 
16.75256 
1 1 1 23  11  30 o 33.19391 8.485573  294.4819       199.7327 727.4261       
275.3083 -186.5984      290.2099 45.20410 13.49114 21.18372 10.29606 24.02038 
16.97115 
1 1 1 23  11  31 o 21.35809 6.853801  46.91757       137.7982 -296.0129      
309.4888 131.7106       153.8941 19.74223 9.799368 22.97395 9.584924 -3.231718 
13.70760 
1 1 1 23  12  0  o 93.02319 6.152365  1880.751       238.9357 2027.513       
361.7363 1767.162       318.2396 96.09906 8.965903 89.94731 8.427274 6.151749 
12.30473 
1 1 1 23  12  1  o 26.89360 8.037988  26.28774       149.5985 109.8054       
254.9260 -17.58008      184.7558 30.64034 12.50858 23.14685 10.09814 7.493494 
16.07598 
1 1 1 23  12  2  o 124.6375 7.087952  3421.794       362.6539 3485.289       
577.7249 3380.505       465.8768 124.9425 11.01367 124.3325 8.924989 0.6100388 
14.17590 
1 1 1 23  12  3  o 62.36206 8.066992  843.2137       211.2083 0.000000       
0.000000 843.2137       211.2083 ?        ?        62.36206 8.066992 ? ? 
1 1 1 23  12  4  o 34.66129 13.59426  193.3422       287.9066 193.3422       
287.9066 0.000000       0.000000 34.66129 13.59426 ?        ?        ? ? 
1 1 1 23  12  5  o 79.07727 5.778821  1317.989       187.6866 1189.106       
237.6185 1531.777       306.0370 74.23636 7.624032 83.91817 8.686382 -9.681816 
11.55764 
1 1 1 23  12  6  o 38.92709 7.727625  354.2501       138.1839 204.0308       
211.6227 465.9074       182.4495 32.59351 11.88907 45.26067 9.874960 -12.66716 
15.45525 
1 1 1 23  12  7  f 26.53295 7.464924  33.92153       133.2849 211.1651       
203.2920 -99.70905      176.5176 32.63997 11.67751 20.42593 9.302479 12.21404 
14.92985 
1 1 1 23  12  8  o 47.14447 7.138219  506.5549       137.1544 548.0905       
193.2164 464.3687       194.7237 49.25465 9.688880 45.03430 10.48534 4.220345 
14.27644 
1 1 1 23  12  9  o 76.16889 4.982540  1251.508       158.6445 1364.392       
222.4402 1134.647       226.3248 79.77673 6.641377 72.56105 7.429329 7.215683 
9.965080 
1 1 1 23  12  10 o 56.96097 6.143429  703.9604       146.4745 632.4681       
201.2787 784.4426       213.5589 53.84613 8.903574 60.07581 8.467186 -6.229675 
12.28686 
1 1 1 23  12  11 o 61.73638 6.127297  898.0622       142.4354 636.2560       
226.1790 1070.127       183.3615 52.75764 10.58444 70.71513 6.176138 -17.95749 
12.25459 
1 1 1 23  12  12 o 72.87602 5.725791  1164.160       173.0517 975.7762       
247.2459 1345.072       242.2934 66.81594 8.813938 78.93610 7.311170 -12.12016 
11.45158 
1 1 1 23  12  13 o 74.85988 5.966371  1222.820       187.5013 1233.836       
264.4185 1211.679       265.9217 75.22073 8.372890 74.49902 8.502062 0.7217026 
11.93274 
1 1 1 23  12  14 o 87.20683 5.405627  1647.394       197.5266 1797.116       
285.5995 1510.106       273.4838 91.06242 7.470323 83.35123 7.815209 7.711182 
10.81125 
1 1 1 23  12  15 o 84.14462 5.423415  1547.218       189.6293 1807.689       
269.7290 1292.660       266.6502 91.41695 7.027841 76.87230 8.262152 14.54465 
10.84683 
1 1 1 23  12  16 o 51.67183 7.628012  618.1840       157.9521 641.4030       
247.5867 602.2478       205.1156 52.12976 11.61380 51.21391 9.892719 0.9158478 
15.25602 
1 1 1 23  12  17 o 61.86508 7.454501  872.7557       185.0614 854.5436       
238.0332 900.5854       294.2473 61.98200 9.147302 61.74817 11.77307 0.2338371 
14.90900 
1 1 1 23  12  18 f 88.67461 5.879590  1718.482       215.3407 1856.785       
341.1197 1626.852       277.6589 91.27322 8.901935 86.07600 7.683351 5.197227 
11.75918 
1 1 1 23  12  19 o 56.51918 8.741024  752.3011       207.4801 520.3890       
275.1823 1057.814       315.8447 45.59371 13.46109 67.44465 11.15443 -21.85094 
17.48205 
1 1 1 23  12  20 o 37.47565 8.673796  324.8413       166.2124 171.6674       
232.9406 483.7191       237.2381 30.89313 12.19376 44.05818 12.33902 -13.16505 
17.34759 
1 1 1 23  12  21 o 29.87223 8.017950  90.81972       162.8277 -178.2530      
228.7096 367.3784       231.8692 21.32685 10.00791 38.41761 12.52964 -17.09076 
16.03590 
1 1 1 23  12  22 o 28.72690 8.390571  116.3263       165.9715 49.49381       
232.4593 185.8221       237.0461 26.52732 11.44677 30.92649 12.27103 -4.399170 
16.78114 
1 1 1 23  12  23 o 43.05840 8.402282  465.2742       167.7735 255.0823       
226.7912 719.3492       249.3443 32.91715 12.26254 53.19965 11.49015 -20.28249 
16.80456 
1 1 1 23  12  24 o 27.45350 8.370174  61.23191       179.1985 184.8609       
260.1880 -50.32927      247.1632 30.70439 12.60285 24.20260 11.01851 6.501791 
16.74035 
1 1 1 23  12  25 o 29.80594 8.855558  164.7421       187.9393 178.9939       
265.1032 150.3425       266.4745 30.19819 12.58832 29.41369 12.45864 0.7844963 
17.71112 
1 1 1 23  12  26 o 26.21399 8.236941  -27.78255      193.6803 -270.9824      
268.7825 234.8842       279.3328 20.87814 10.09031 31.54985 13.02208 -10.67171 
16.47388 
1 1 1 23  12  27 o 33.43012 9.134951  306.3407       192.9378 452.0995       
264.4930 140.5720       282.0643 38.31842 13.35784 28.54182 12.46424 9.776602 
18.26990 
1 1 1 23  12  28 o 24.28601 7.914741  -11.04396      187.0402 22.09606       
252.3239 -51.46368      278.6625 24.57726 11.17404 23.99476 11.21219 0.5825005 
15.82948 
1 1 1 23  12  29 o 32.93648 8.149155  302.0318       164.5657 537.5348       
224.9036 30.63079       241.4370 41.88775 12.10663 23.98520 10.91166 17.90255 
16.29831 
1 1 1 23  12  30 o 43.31020 8.916918  587.6068       186.0367 997.2569       
294.9205 316.8742       239.7556 55.57434 12.88104 31.04606 12.33388 24.52828 
17.83384 
1 1 1 23  12  31 o 28.82411 8.366370  238.9741       133.9761 462.3676       
313.6642 189.1227       148.1726 32.13553 13.55942 25.51268 9.804424 6.622852 
16.73274 
1 1 1 23  12  32 f 24.34447 7.514235  163.6601       136.0139 185.9008       
262.6985 155.5144       158.9825 25.08414 11.40369 23.60481 9.788301 1.479338 
15.02847 
1 1 1 23  13  0  o 70.37331 7.696221  1172.134       211.2083 873.8578       
318.6757 1405.794       282.0533 60.59406 12.91021 80.15257 8.381752 -19.55850 
15.39244 
1 1 1 23  13  1  o 34.65399 8.721590  235.5597       150.7486 302.4097       
271.3991 205.7324       181.2862 37.76326 13.49434 31.54472 11.05293 6.218534 
17.44318 
1 1 1 23  13  2  o 56.33960 7.475307  756.1934       164.0675 584.8129       
266.1151 861.2808       208.3839 49.69211 12.70529 62.98709 7.880135 -13.29499 
14.95061 
1 1 1 23  13  3  o 41.38440 8.267895  421.2195       159.6836 190.6434       
269.2918 546.2625       198.3105 33.82629 13.17178 48.94251 9.996827 -15.11621 
16.53579 
1 1 1 23  13  4  o 35.38197 8.859915  200.1105       159.0300 435.1110       
286.8510 95.82934       191.0842 43.39034 13.92097 27.37362 10.96352 16.01672 
17.71983 
1 1 1 23  13  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  13  6  o 91.72691 5.945954  1828.713       224.1802 1823.848       
354.2688 1831.962       289.5197 91.30273 9.242092 92.15109 7.483396 
-0.8483658     11.89191 
1 1 1 23  13  7  o 53.30793 6.930804  627.4158       150.1141 464.7879       
201.9487 828.2318       224.4102 44.92903 10.81947 61.68683 8.665054 -16.75780 
13.86161 
1 1 1 23  13  8  o 40.50849 7.362911  378.6896       131.2483 516.7123       
183.1657 233.0354       188.1613 47.83062 9.457876 33.18637 11.28709 14.64425 
14.72582 
1 1 1 23  13  9  o 46.44717 6.927192  487.8321       133.4347 588.7157       
187.6783 384.7100       189.7490 52.00871 8.595263 40.88564 10.86579 11.12307 
13.85438 
1 1 1 23  13  10 o 33.16039 8.179174  204.3602       144.0992 342.3245       
218.6319 98.39623       191.6060 38.81480 12.11282 27.50599 10.99432 11.30882 
16.35835 
1 1 1 23  13  11 o 88.50801 5.678262  1639.041       206.6843 2020.367       
336.2899 1407.563       262.0111 96.38177 8.310746 80.63425 7.739648 15.74752 
11.35652 
1 1 1 23  13  12 o 47.27324 7.927262  519.8714       155.7042 603.8026       
221.0609 437.2367       219.3471 51.25658 10.62933 43.28991 11.76364 7.966667 
15.85452 
1 1 1 23  13  13 o 58.54341 6.737717  793.5275       155.0122 910.4718       
203.9090 633.4128       238.5957 64.84611 7.489858 52.24071 11.20220 12.60540 
13.47543 
1 1 1 23  13  14 o 118.1160 6.089657  3023.675       295.5403 2902.237       
377.7726 3215.247       474.4798 115.5415 7.787776 120.6905 9.364093 -5.148979 
12.17931 
1 1 1 23  13  15 o 37.84601 8.327779  299.6747       153.4513 497.1413       
235.6510 154.2959       202.1962 45.78657 12.08189 29.90545 11.46453 15.88112 
16.65556 
1 1 1 23  13  16 o 66.26619 6.350487  979.2971       169.8799 937.5753       
277.3563 1004.347       214.9093 64.62991 10.22176 67.90246 7.538599 -3.272545 
12.70097 
1 1 1 23  13  17 f 39.65392 8.414532  369.3053       150.1478 392.4252       
228.3466 351.6950       199.2893 40.62964 12.31939 38.67821 11.46517 1.951427 
16.82906 
1 1 1 23  13  18 o 56.23640 8.453074  759.4938       193.3108 732.6492       
275.7986 785.4180       271.0293 55.06191 12.25095 57.41088 11.65041 -2.348969 
16.90615 
1 1 1 23  13  19 o 81.41400 6.311136  1422.354       210.9634 1868.519       
342.4083 1149.362       267.8372 91.24886 8.937951 71.57915 8.912619 19.66970 
12.62227 
1 1 1 23  13  20 o 78.42535 6.638617  1319.860       211.8023 1769.769       
357.2866 1076.085       262.9961 87.94127 9.677097 68.90943 9.090583 19.03184 
13.27723 
1 1 1 23  13  21 o 23.27514 7.653226  -159.2853      176.0860 -60.69455      
277.2301 -225.9574      227.9786 26.08944 11.80996 20.46083 9.737161 5.628603 
15.30645 
1 1 1 23  13  22 o 28.69706 8.662853  89.88326       180.9489 72.82719       
293.6495 100.3242       229.7518 29.46340 12.79141 27.93071 11.68589 1.532690 
17.32571 
1 1 1 23  13  23 o 37.81086 9.214099  363.5591       184.7446 223.3811       
262.3900 501.3656       260.1609 32.44575 12.89885 43.17596 13.16123 -10.73022 
18.42820 
1 1 1 23  13  24 o 35.42037 8.788778  318.0649       175.0805 132.8133       
263.9098 463.6865       233.9847 29.33558 12.41069 41.50516 12.44770 -12.16958 
17.57756 
1 1 1 23  13  25 o 24.88141 8.034771  -55.70615      189.9043 -147.1129      
265.8371 39.55157       271.3792 22.92334 10.76297 26.83948 11.93267 -3.916142 
16.06954 
1 1 1 23  13  26 o 32.56150 8.410276  210.3482       181.8830 -127.4816      
263.7365 516.7427       251.1665 22.88983 10.74237 42.23317 12.94343 -19.34334 
16.82055 
1 1 1 23  13  27 o 27.51632 8.161116  137.5897       167.2369 233.5112       
207.2914 -41.24198      283.0384 30.21173 11.60051 24.82091 11.48231 5.390823 
16.32223 
1 1 1 23  13  28 o 33.17892 9.083974  314.2362       195.4089 476.9598       
262.9904 113.6657       291.9768 38.68373 13.33566 27.67412 12.33834 11.00961 
18.16795 
1 1 1 23  13  29 o 37.04486 9.798250  476.8817       205.1752 469.1550       
273.7886 486.7793       309.8735 37.19390 13.52736 36.89582 14.17862 0.2980881 
19.59650 
1 1 1 23  13  30 o 27.84127 8.251469  168.5534       119.9901 351.9592       
337.9718 142.1016       128.3516 31.63419 13.72818 24.04836 9.158826 7.585833 
16.50294 
1 1 1 23  13  31 o 23.01266 7.510585  49.65951       136.7250 192.9760       
309.5822 14.93220       152.3924 26.65592 12.20046 19.36941 8.762661 7.286505 
15.02117 
1 1 1 23  13  32 o 23.17968 7.470826  106.1579       135.6371 169.0486       
315.0735 91.85132       150.2748 25.14229 11.78900 21.21707 9.180005 3.925220 
14.94165 
1 1 1 23  14  0  o 33.11853 8.969856  174.2991       163.0844 301.4437       
296.4606 119.1274       195.2883 38.00634 14.04759 28.23071 11.15789 9.775633 
17.93971 
1 1 1 23  14  1  o 76.92731 6.326560  1254.341       199.1827 1526.316       
329.6484 1097.947       249.9747 83.04083 9.455411 70.81378 8.408129 12.22705 
12.65312 
1 1 1 23  14  2  o 71.14624 6.231336  1091.754       182.2995 1202.500       
293.9291 1022.522       232.3970 73.78448 9.488523 68.50800 8.079981 5.276489 
12.46267 
1 1 1 23  14  3  o 80.44127 5.614583  1342.845       183.2224 1657.266       
311.6343 1176.740       226.5068 87.10452 8.521689 73.77802 7.312659 13.32650 
11.22917 
1 1 1 23  14  4  o 29.71360 8.346612  124.3935       157.3690 -24.97621      
275.6835 196.5912       191.6642 27.92637 12.25784 31.50082 11.33177 -3.574448 
16.69322 
1 1 1 23  14  5  o 30.75547 8.941058  58.27056       176.9773 242.3712       
313.5048 -27.83822      214.4076 36.86133 14.24109 24.64961 10.81487 12.21172 
17.88212 
1 1 1 23  14  6  f 75.21815 9.613317  1244.751       303.5812 0.000000       
0.000000 1244.751       303.5812 ?        ?        75.21815 9.613317 ? ? 
1 1 1 23  14  7  o 61.37099 9.924416  830.7410       255.7096 830.7410       
255.7096 0.000000       0.000000 61.37099 9.924416 ?        ?        ? ? 
1 1 1 23  14  8  o 29.26351 8.463233  81.91957       150.2347 49.81007       
176.9096 164.9682       284.5121 24.93980 10.33265 33.58722 13.40678 -8.647419 
16.92647 
1 1 1 23  14  9  o 39.54588 8.018506  361.8748       140.6775 314.8081       
207.8800 401.6399       191.0766 37.37463 11.83671 41.71713 10.82026 -4.342506 
16.03701 
1 1 1 23  14  10 o 38.41597 8.140886  337.9182       141.0881 331.0511       
212.4844 343.3332       188.6863 38.17492 11.94696 38.65703 11.06193 
-0.4821129     16.28177 
1 1 1 23  14  11 o 35.35656 7.606651  222.3961       140.5574 501.9851       
215.5877 15.68464       185.3728 46.49070 11.16837 24.22241 10.33016 22.26829 
15.21330 
1 1 1 23  14  12 o 51.86261 7.808900  619.5373       164.6656 564.4938       
225.6146 682.2809       240.8787 49.30597 11.15789 54.41926 10.92782 -5.113293 
15.61780 
1 1 1 23  14  13 o 43.02423 8.612454  432.7698       162.3109 404.0727       
221.8049 465.8523       238.1502 41.59177 12.02354 44.45670 12.33418 -2.864933 
17.22491 
1 1 1 23  14  14 o 41.16123 8.600668  395.5520       161.1517 473.7761       
227.1265 316.2490       228.6873 44.82675 11.87639 37.49570 12.44337 7.331047 
17.20134 
1 1 1 23  14  15 o 43.54686 7.450519  384.9423       132.6363 674.8392       
232.9381 245.8562       161.3469 54.02484 10.64918 33.06887 10.42286 20.95597 
14.90104 
1 1 1 23  14  16 o 29.85851 8.258879  142.5032       148.8815 173.2049       
228.7229 119.9308       196.1182 31.47326 12.16305 28.24375 11.17572 3.229507 
16.51776 
1 1 1 23  14  17 o 56.25240 6.279609  713.3132       143.5085 735.0779       
192.2814 685.9439       215.6214 57.87609 7.913325 54.62871 9.752603 3.247379 
12.55922 
1 1 1 23  14  18 f 41.83439 8.354866  430.4146       159.9718 548.2223       
212.5340 276.4383       242.9790 48.12779 10.78703 35.54098 12.76147 12.58681 
16.70973 
1 1 1 23  14  19 o 55.04448 7.681082  695.2361       173.3936 430.4537       
229.5667 1046.930       264.5738 41.96017 12.26521 68.12878 9.249905 -26.16861 
15.36216 
1 1 1 23  14  20 o 66.91730 6.419952  1050.267       169.6717 818.9023       
250.8600 1245.352       230.3534 58.72338 10.55947 75.11122 7.304841 -16.38784 
12.83990 
1 1 1 23  14  21 o 41.48584 9.198826  442.6725       179.6874 381.1750       
277.6210 487.0081       235.7216 39.08396 13.67954 43.88773 12.30219 -4.803768 
18.39765 
1 1 1 23  14  22 o 41.83582 9.187925  460.4017       190.8938 260.8894       
285.3987 621.9214       256.7910 34.51376 13.53522 49.15788 12.42859 -14.64412 
18.37585 
1 1 1 23  14  23 o 26.90974 8.196681  56.72447       165.6110 122.0364       
258.1319 11.03371       215.9035 29.25769 12.32075 24.56180 10.81395 4.695887 
16.39336 
1 1 1 23  14  24 o 27.81343 8.429860  37.51715       188.3539 -172.0243      
267.0122 245.0628       265.7376 22.83045 10.73677 32.79641 12.99892 -9.965967 
16.85972 
1 1 1 23  14  25 o 21.35944 7.229979  -243.1301      185.7975 -298.7888      
258.8914 -184.0183      266.8018 20.32516 9.836815 22.39372 10.59846 -2.068569 
14.45996 
1 1 1 23  14  26 o 27.88772 8.218116  128.0411       169.6507 241.7314       
216.2046 -54.11968      273.6721 31.11959 11.87675 24.65585 11.36189 6.463739 
16.43623 
1 1 1 23  14  27 o 30.08034 8.826227  175.6146       190.1592 18.17692       
259.5079 358.1779       279.4493 25.24739 11.42765 34.91329 13.45429 -9.665901 
17.65245 
1 1 1 23  14  28 o 33.09904 9.038820  305.5094       192.2870 475.6154       
263.5876 112.0093       281.1290 38.72105 13.35057 27.47705 12.18866 11.24400 
18.07764 
1 1 1 23  14  29 o 22.23630 7.410315  -92.07188      174.8822 -149.4608      
227.3108 -8.834826      273.7566 20.15784 9.630608 24.31476 11.26510 -4.156921 
14.82063 
1 1 1 23  14  30 o 20.02288 6.954209  -253.4422      133.9274 138.6981       
304.4916 -347.5018      149.1270 27.12384 12.31666 12.92192 6.460958 14.20193 
13.90842 
1 1 1 23  14  31 o 18.32333 6.377913  -149.2365      133.5921 -281.5523      
321.4070 -121.6031      146.8811 20.70659 10.21056 15.94007 7.645625 4.766515 
12.75583 
1 1 1 23  14  32 o 19.20061 6.663281  -99.48366      132.9078 -7.608278      
317.0226 -119.0751      146.3942 22.75968 10.99255 15.64155 7.534002 7.118132 
13.32656 
1 1 1 23  15  0  o 37.65562 8.513181  332.2794       158.6320 196.9966       
248.9455 424.7621       205.8322 32.94198 12.69791 42.36927 11.34285 -9.427284 
17.02636 
1 1 1 23  15  1  o 26.61353 7.871742  62.64713       142.3703 0.8022234E-01  
249.4302 92.88088       173.3895 27.03617 11.76411 26.19089 10.46246 0.8452816 
15.74348 
1 1 1 23  15  2  o 31.83214 8.741535  164.0098       152.2654 210.2431       
293.6118 147.0017       178.0839 34.96310 13.72486 28.70119 10.82986 6.261911 
17.48307 
1 1 1 23  15  3  o 64.44919 7.115086  975.8646       178.3584 681.6063       
263.5391 1224.552       242.2744 53.82469 11.97548 75.07368 7.686717 -21.24899 
14.23017 
1 1 1 23  15  4  o 89.27437 6.235987  1740.683       229.7381 1784.776       
361.0725 1710.691       297.7927 89.88369 9.568295 88.66505 7.999866 1.218643 
12.47197 
1 1 1 23  15  5  o 74.59938 6.776959  1219.762       211.5080 1122.706       
285.2001 1338.381       315.2938 71.34814 9.521123 77.85063 9.646603 -6.502495 
13.55392 
1 1 1 23  15  6  o 49.60203 7.916107  571.5147       161.1449 546.0729       
228.2048 596.8180       227.5829 48.41447 11.40224 50.78959 10.98398 -2.375111 
15.83221 
1 1 1 23  15  7  o 138.6133 7.785147  4122.108       413.7269 3875.576       
488.0812 4751.441       779.8228 133.1454 8.731462 144.0811 12.89169 -10.93575 
15.57029 
1 1 1 23  15  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  15  9  o 77.00128 5.906086  1289.750       185.4262 1300.510       
300.2961 1283.120       235.7348 76.92378 9.298441 77.07878 7.284670 
-0.1549988     11.81217 
1 1 1 23  15  10 o 39.55599 7.424412  363.7744       138.9765 136.1150       
204.6370 558.6661       189.3381 29.43711 11.47818 49.67487 9.420133 -20.23777 
14.84882 
1 1 1 23  15  11 o 29.14624 8.101464  127.7031       144.6937 141.2414       
212.4377 115.9875       197.6204 29.93191 11.69003 28.36057 11.21954 1.571342 
16.20293 
1 1 1 23  15  12 o 27.75570 7.781811  107.6407       136.1211 156.1546       
174.3955 32.00547       217.7531 29.04512 10.76644 26.46629 11.23877 2.578829 
15.56362 
1 1 1 23  15  13 o 47.27958 8.076395  524.7595       158.5592 549.8746       
219.5770 497.3934       229.2059 48.60333 11.01359 45.95584 11.81582 2.647491 
16.15279 
1 1 1 23  15  14 o 86.85706 5.422351  1599.357       193.5913 2139.377       
298.4825 1207.243       254.3432 99.39141 7.153047 74.32272 8.151165 25.06870 
10.84470 
1 1 1 23  15  15 o 98.91479 5.263419  2119.891       217.9144 2227.224       
323.6664 2030.899       294.7186 101.1117 7.624606 96.71792 7.258080 4.393753 
10.52684 
1 1 1 23  15  16 o 97.88761 5.321650  2091.524       218.0317 1893.317       
306.0129 2295.887       310.7279 93.01887 7.835916 102.7564 7.202655 -9.737488 
10.64330 
1 1 1 23  15  17 o 46.16077 7.327706  451.7413       152.5656 858.2744       
239.0560 172.3748       198.1704 62.03665 9.178513 30.28490 11.42524 31.75175 
14.65541 
1 1 1 23  15  18 o 57.13198 8.173154  762.0112       186.7202 885.6851       
295.0591 679.4020       241.1483 60.76344 11.99307 53.50053 11.10712 7.262905 
16.34631 
1 1 1 23  15  19 o 34.66231 9.094612  258.1429       177.2049 201.5442       
272.1237 299.8146       233.4983 33.26217 13.16344 36.06244 12.55276 -2.800274 
18.18922 
1 1 1 23  15  20 o 44.32635 8.941605  505.1091       183.7088 318.1483       
277.8952 650.2377       244.8400 37.10318 13.61527 51.54952 11.59455 -14.44635 
17.88321 
1 1 1 23  15  21 o 90.80991 5.683772  1837.456       215.4811 1711.300       
286.8438 2000.863       326.4576 87.42607 7.814939 94.19374 8.255167 -6.767670 
11.36754 
1 1 1 23  15  22 o 35.51681 9.231345  295.0740       183.6233 388.3501       
263.1104 206.5053       256.3853 38.90113 13.34565 32.13249 12.75792 6.768635 
18.46269 
1 1 1 23  15  23 o 47.49845 9.396690  606.8009       196.5163 507.1631       
272.6621 714.5062       283.4859 43.20790 13.53564 51.78900 13.03754 -8.581097 
18.79338 
1 1 1 23  15  24 o 24.24090 7.887888  -99.07895      187.9138 -210.6428      
268.1636 8.557163       263.4008 22.26519 10.57907 26.21661 11.70292 -3.951420 
15.77578 
1 1 1 23  15  25 o 25.57188 7.651524  24.97210       150.4450 -135.6680      
201.5460 227.1105       226.0849 20.02258 9.395675 31.12117 12.07910 -11.09860 
15.30305 
1 1 1 23  15  26 o 42.18541 9.757023  518.8029       202.4823 378.0430       
271.2648 695.9069       304.2765 36.36982 13.43846 48.00100 14.14941 -11.63118 
19.51405 
1 1 1 23  15  27 o 28.18233 8.507000  138.5493       177.1343 211.2301       
266.6132 81.11540       237.0043 30.31254 12.62930 26.05212 11.40074 4.260418 
17.01400 
1 1 1 23  15  28 o 29.46499 8.598611  182.8466       171.3011 76.35142       
220.1558 346.2496       272.7063 25.02797 10.97002 33.90202 13.24398 -8.874054 
17.19722 
1 1 1 23  15  29 o 24.53797 7.623936  91.56444       132.3094 3.511267       
311.3772 110.9658       146.1607 25.58978 11.91654 23.48616 9.512814 2.103617 
15.24787 
1 1 1 23  15  30 o 24.83733 7.511071  88.05509       112.6415 269.6222       
255.5021 44.25210       125.4954 29.97092 12.41729 19.70373 8.454325 10.26720 
15.02214 
1 1 1 23  15  31 o 24.11332 7.468454  123.3413       131.8495 16.17175       
311.8880 146.6617       145.4894 24.18106 11.45129 24.04559 9.590585 0.1354675 
14.93691 
1 1 1 23  15  32 o 22.49988 7.393764  17.38114       116.8660 342.0898       
301.5846 -39.99286      126.7710 28.66770 12.68224 16.33205 7.604714 12.33564 
14.78753 
1 1 1 23  16  0  f 77.84950 5.869686  1315.601       188.9442 1468.682       
299.6710 1214.591       243.4268 81.31715 8.777758 74.38184 7.795116 6.935310 
11.73937 
1 1 1 23  16  1  o 40.10014 8.325135  389.3129       147.6371 310.7670       
259.1977 427.0341       179.6231 37.41284 13.20567 42.78745 10.14109 -5.374615 
16.65027 
1 1 1 23  16  2  o 53.99565 8.081071  651.0480       173.2929 852.4064       
287.8529 536.5864       217.0280 60.17836 11.81445 47.81295 11.02876 12.36541 
16.16214 
1 1 1 23  16  3  o 29.86437 8.496453  125.1081       151.3645 116.7736       
285.7700 128.3582       178.4533 31.85332 13.16073 27.87542 10.74961 3.977900 
16.99291 
1 1 1 23  16  4  o 68.84097 6.267383  1056.791       178.1987 879.2070       
258.2097 1218.290       246.2384 62.89849 9.778075 74.78343 7.842806 -11.88494 
12.53477 
1 1 1 23  16  5  o 66.10147 6.393304  961.0563       177.2431 903.0023       
247.3108 1022.365       254.1483 63.99469 9.204925 68.20826 8.875062 -4.213570 
12.78661 
1 1 1 23  16  6  o 80.39191 6.408335  1364.275       209.7019 977.5506       
270.7117 1944.493       331.5905 66.44399 9.704484 94.33982 8.371979 -27.89583 
12.81667 
1 1 1 23  16  7  o 97.09892 6.411881  2051.204       257.7355 1950.759       
334.3725 2198.246       404.5621 94.49728 8.428151 99.70057 9.665152 -5.203293 
12.82376 
1 1 1 23  16  8  o 60.17875 8.271366  847.9277       193.3538 882.0580       
238.5779 782.6059       330.0578 63.38951 8.964663 56.96798 13.90312 6.421532 
16.54273 
1 1 1 23  16  9  o 37.89938 8.587560  319.1444       152.0158 370.4988       
240.9119 285.1694       195.9518 40.11433 12.74636 35.68442 11.51152 4.429909 
17.17512 
1 1 1 23  16  10 o 47.21486 12.06149  525.4659       239.9835 525.4659       
239.9835 0.000000       0.000000 47.21486 12.06149 ?        ?        ? ? 
1 1 1 23  16  11 o 75.45437 5.988333  1225.218       188.0556 1041.479       
249.5223 1466.808       286.1199 68.95644 8.618976 81.95230 8.315875 -12.99586 
11.97667 
1 1 1 23  16  12 o 77.57460 5.535950  1308.753       180.1245 1389.437       
257.9377 1231.957       251.6478 79.95721 7.683839 75.19199 7.971548 4.765213 
11.07190 
1 1 1 23  16  13 o 64.30768 6.491857  906.5074       174.4676 799.0438       
236.4209 1035.007       258.5273 60.08694 9.371883 68.52842 8.985800 -8.441483 
12.98371 
1 1 1 23  16  14 o 34.68609 8.289374  258.1611       143.2957 324.8719       
217.2759 206.8093       190.6299 37.64166 12.11959 31.73051 11.31240 5.911150 
16.57875 
1 1 1 23  16  15 o 94.27738 4.939124  1922.609       194.6878 1976.046       
290.3258 1878.943       262.4414 95.34776 7.252640 93.20700 6.706639 2.140762 
9.878248 
1 1 1 23  16  16 o 44.33857 7.724974  473.6167       146.9111 317.7188       
214.4324 611.5245       201.6808 37.09665 12.04931 51.58050 9.670319 -14.48385 
15.44995 
1 1 1 23  16  17 o 31.46696 8.035628  197.1058       142.8282 75.75636       
215.6313 291.9644       190.6475 27.40565 11.38415 35.52827 11.34400 -8.122620 
16.07126 
1 1 1 23  16  18 o 45.98647 7.987578  506.5976       152.9067 530.8534       
226.1209 486.1613       207.5555 46.90238 11.54560 45.07056 11.04105 1.831818 
15.97516 
1 1 1 23  16  19 f 42.62498 9.426440  438.8831       184.2695 540.9894       
294.0757 372.8759       236.4440 46.06995 13.98276 39.18000 12.64569 6.889946 
18.85288 
1 1 1 23  16  20 o 37.56488 8.312794  319.8469       175.2504 -11.02777      
265.9942 573.6432       232.9609 26.85811 11.89239 48.27166 11.61814 -21.41355 
16.62559 
1 1 1 23  16  21 o 26.71091 7.982005  -64.99897      179.6672 -411.0543      
259.2919 254.6043       249.1850 19.49477 9.529102 33.92704 12.80804 -14.43227 
15.96401 
1 1 1 23  16  22 o 75.33854 7.056832  1308.898       220.1055 1171.268       
283.9380 1516.135       348.4173 70.83112 9.548176 79.84595 10.39364 -9.014832 
14.11366 
1 1 1 23  16  23 f 34.87578 9.444142  286.3557       194.0543 222.1472       
267.0086 358.2390       282.5161 32.46812 12.97821 37.28344 13.72346 -4.815319 
18.88828 
1 1 1 23  16  24 f 58.99402 8.061313  881.8275       190.3124 943.7666       
294.4440 837.3855       249.4118 60.15440 12.08418 57.83363 10.67294 2.320766 
16.12263 
1 1 1 23  16  25 o 22.32582 7.445261  -169.7475      183.3235 -89.36477      
250.4143 -262.5816      269.1113 23.33781 10.79778 21.31383 10.25356 2.023989 
14.89052 
1 1 1 23  16  26 f 30.81831 8.647658  166.6768       185.3862 -73.66867      
259.3161 417.9242       265.1321 23.74188 10.98599 37.89474 13.35799 -14.15285 
17.29532 
1 1 1 23  16  27 o 52.29951 8.925740  784.8102       194.3129 850.0873       
273.3997 718.1785       276.2218 55.22297 12.12236 49.37605 13.10434 5.846912 
17.85148 
1 1 1 23  16  28 o 22.47448 7.515371  -189.5500      184.9879 78.39552       
289.2314 -375.0332      240.6438 26.98057 12.14598 17.96840 8.854282 9.012169 
15.03074 
1 1 1 23  16  29 o 25.41298 7.810096  86.85201       167.2896 -207.0127      
308.2676 209.5201       199.1682 22.42218 10.83128 28.40379 11.25494 -5.981613 
15.62019 
1 1 1 23  16  30 o 35.83252 8.551778  389.9105       136.4070 446.4425       
331.1565 378.3586       149.6965 34.47190 14.19523 37.19314 9.540814 -2.721233 
17.10356 
1 1 1 23  16  31 o 22.44218 7.429898  5.150999       131.8100 166.1982       
319.4598 -27.89094      144.7013 26.84139 12.33052 18.04297 8.292871 8.798418 
14.85980 
1 1 1 23  16  32 o 21.72239 6.974112  73.93952       125.1947 -10.67881      
282.4229 94.63390       139.6671 22.25251 10.65606 21.19227 9.000069 1.060236 
13.94822 
1 1 1 23  17  0  o 41.70517 8.806719  412.2148       157.8094 450.5966       
282.4261 394.7916       190.2861 42.75573 13.82282 40.65461 10.91617 2.101120 
17.61344 
1 1 1 23  17  1  o 35.93859 8.229612  311.2356       149.7426 107.1938       
272.7929 399.2318       179.1453 30.71820 12.78508 41.15899 10.36571 -10.44078 
16.45922 
1 1 1 23  17  2  o 52.73506 7.596430  659.3790       162.8898 543.7174       
247.9827 747.1552       216.0305 47.44974 12.33575 58.02037 8.868613 -10.57063 
15.19286 
1 1 1 23  17  3  o 36.61815 8.001609  317.6476       141.3599 184.7666       
227.8734 400.7725       180.2301 31.83710 12.18068 41.39921 10.37950 -9.562117 
16.00322 
1 1 1 23  17  4  o 56.89658 7.960614  791.9355       183.1197 487.9822       
272.7075 1041.526       247.1198 45.00188 13.42655 68.79128 8.556480 -23.78940 
15.92123 
1 1 1 23  17  5  o 64.22971 6.635314  910.9812       178.5568 984.5068       
262.4045 847.5798       243.6699 66.63474 9.379760 61.82469 9.387740 4.810043 
13.27063 
1 1 1 23  17  6  o 87.94368 6.043591  1657.383       218.3982 1513.448       
277.1218 1893.316       354.7994 83.29353 7.924658 92.59383 9.126871 -9.300308 
12.08718 
1 1 1 23  17  7  o 36.36135 9.300861  273.1643       177.4248 265.9181       
221.3297 286.1936       296.7869 35.13014 12.22196 37.59256 14.02312 -2.462418 
18.60172 
1 1 1 23  17  8  o 75.55257 6.635975  1253.875       209.1225 1190.903       
277.7412 1336.308       317.7724 73.53269 8.996653 77.57245 9.757301 -4.039757 
13.27195 
1 1 1 23  17  9  o 42.10414 8.596152  417.2366       160.2309 407.2047       
234.5105 426.0207       219.4408 41.64882 12.45580 42.55946 11.85025 
-0.9106369     17.19230 
1 1 1 23  17  10 o 54.10820 7.157426  643.9855       156.7732 926.3768       
241.9955 439.7552       205.7983 64.88763 8.883141 43.32877 11.22519 21.55886 
14.31485 
1 1 1 23  17  11 o 59.10331 10.69197  804.4581       255.5716 0.000000       
0.000000 804.4581       255.5716 ?        ?        59.10331 10.69197 ? ? 
1 1 1 23  17  12 o 61.32015 7.598526  837.2460       189.3745 695.4261       
247.9201 1035.906       293.4262 54.61411 11.19791 68.02619 10.27410 -13.41208 
15.19705 
1 1 1 23  17  13 o 68.84271 6.692389  1067.523       189.4875 1152.872       
251.5555 955.5761       288.0977 72.51946 8.262289 65.16596 10.53028 7.353500 
13.38478 
1 1 1 23  17  14 o 24.12732 7.352158  -21.86935      138.5086 92.49242       
206.7924 -114.9200      186.5322 27.71160 11.28165 20.54305 9.430864 7.168550 
14.70432 
1 1 1 23  17  15 o 31.73828 8.099406  184.8314       142.1459 312.1762       
214.9424 85.84769       189.5017 36.86846 12.06363 26.60810 10.81066 10.26035 
16.19881 
1 1 1 23  17  16 o 26.25230 7.735924  52.68224       141.7517 119.4833       
212.4369 -0.9316607     190.3167 28.77963 11.54604 23.72496 10.29888 5.054672 
15.47185 
1 1 1 23  17  17 o 64.67072 6.088455  915.8870       164.0367 1075.290       
249.8677 795.1519       217.4597 69.56394 8.555532 59.77750 8.664872 9.786446 
12.17691 
1 1 1 23  17  18 o 38.43646 8.027604  355.8990       146.7576 205.0565       
217.5497 481.8705       198.8074 31.93411 11.98747 44.93880 10.68037 -13.00469 
16.05521 
1 1 1 23  17  19 o 38.57393 8.664575  351.6944       161.5696 244.4202       
221.1590 474.4824       236.6109 33.43092 12.15796 43.71694 12.34842 -10.28602 
17.32915 
1 1 1 23  17  20 o 73.31667 7.432107  1281.149       217.2364 993.2495       
308.4880 1564.358       305.9648 63.55245 11.99998 83.08087 8.771855 -19.52842 
14.86421 
1 1 1 23  17  21 o 65.74861 7.754983  1045.099       207.9069 1111.096       
286.2553 971.4176       302.4633 69.01047 9.880061 62.48675 11.95590 6.523720 
15.50997 
1 1 1 23  17  22 o 32.76230 9.132882  223.0510       185.9820 180.4449       
259.3631 268.1464       266.8323 31.24303 12.66490 34.28157 13.16200 -3.038540 
18.26576 
1 1 1 23  17  23 o 50.19374 9.247003  683.2993       199.8251 804.9842       
278.2788 553.7601       287.1192 55.67573 12.23714 44.71175 13.86653 10.96398 
18.49401 
1 1 1 23  17  24 o 32.71081 8.975624  245.7386       181.8039 337.8741       
247.8404 138.4038       267.5031 35.88211 12.88805 29.53951 12.49582 6.342604 
17.95125 
1 1 1 23  17  25 o 38.46886 8.631832  416.1715       164.1509 504.9503       
210.0453 276.8761       263.1036 43.67325 11.35258 33.26446 13.00589 10.40879 
17.26366 
1 1 1 23  17  26 o 35.80189 9.181878  346.5696       184.9241 203.9582       
255.5016 503.4621       267.9894 30.37052 12.48118 41.23327 13.47025 -10.86275 
18.36376 
1 1 1 23  17  27 o 35.87521 8.978101  366.4236       170.8154 279.5936       
231.2762 470.6375       253.3721 32.18019 12.28310 39.57024 13.09774 -7.390049 
17.95620 
1 1 1 23  17  28 o 29.42786 7.938239  228.7524       130.7527 87.19273       
305.8261 260.4158       144.6384 27.53525 12.43743 31.32047 9.867770 -3.785219 
15.87648 
1 1 1 23  17  29 o 36.51892 7.106094  440.0668       134.9236 10.53029       
318.4180 534.0667       148.9571 25.89601 12.05581 47.14183 7.526199 -21.24583 
14.21219 
1 1 1 23  17  30 o 33.81198 8.509305  335.2976       133.4810 417.5572       
316.8966 317.5551       147.1738 33.88578 13.90863 33.73818 9.807298 0.1475983 
17.01861 
1 1 1 23  17  31 o 27.61481 8.031827  214.4676       134.1080 244.4623       
303.0585 207.1638       149.5471 28.28962 12.59271 26.94000 9.973194 1.349625 
16.06365 
1 1 1 23  17  32 o 28.74587 7.823689  286.9673       133.1832 244.3774       
259.6048 302.1807       155.1573 26.80178 11.82320 30.68995 10.24951 -3.888168 
15.64738 
1 1 1 23  18  0  f 75.06119 6.194246  1211.536       190.8472 1590.896       
310.3089 980.7443       242.0355 84.07723 8.790971 66.04515 8.728892 18.03208 
12.38849 
1 1 1 23  18  1  f 29.60578 8.318365  144.5653       153.1164 67.60052       
260.6565 185.1164       189.2013 28.90212 12.28534 30.30945 11.21835 -1.407331 
16.63673 
1 1 1 23  18  2  o 55.85289 6.416950  704.8914       144.6411 554.4124       
198.2615 876.1132       211.4852 48.70681 10.03865 62.99897 7.995905 -14.29216 
12.83390 
1 1 1 23  18  3  o 30.73126 7.894929  165.9584       142.1287 311.6641       
199.7241 16.46815       202.3014 36.57473 11.60411 24.88778 10.70814 11.68695 
15.78986 
1 1 1 23  18  4  o 70.41198 6.061025  1047.705       171.9384 706.8979       
221.4312 1565.208       272.8604 56.26580 9.373793 84.55817 7.686099 -28.29237 
12.12205 
1 1 1 23  18  5  o 84.50554 5.821102  1541.938       203.9542 1401.560       
264.3515 1748.390       320.5833 80.00242 7.870453 89.00867 8.578862 -9.006248 
11.64220 
1 1 1 23  18  6  o 29.29804 8.543562  78.92744       176.5242 184.7910       
236.7900 -53.50781      264.8451 32.15561 12.38625 26.44048 11.77075 5.715132 
17.08712 
1 1 1 23  18  7  o 28.32309 8.489954  50.99414       175.2258 57.35477       
249.9451 44.84662       245.7224 28.59922 12.08746 28.04695 11.92521 0.5522709 
16.97991 
1 1 1 23  18  8  o 31.07298 8.454512  168.4649       156.4941 114.7898       
240.4533 207.9077       206.1238 29.94800 12.17425 32.19795 11.73468 -2.249949 
16.90902 
1 1 1 23  18  9  o 36.22291 7.657498  305.9520       149.9928 -31.44048      
252.9762 488.8618       186.2647 26.43150 11.66408 46.01432 9.924631 -19.58282 
15.31500 
1 1 1 23  18  10 o 35.24108 8.651205  264.0339       154.0925 312.9767       
244.9915 231.9986       198.2079 37.44948 12.87499 33.03269 11.55889 4.416790 
17.30241 
1 1 1 23  18  11 o 25.84643 8.095931  -51.09675      172.3256 25.29305       
267.1198 -105.5530      225.5342 28.50957 12.28594 23.18329 10.54667 5.326288 
16.19186 
1 1 1 23  18  12 o 76.81535 7.808384  1374.482       232.6297 1268.205       
384.1391 1436.028       292.3295 72.91026 13.01827 80.72044 8.626013 -7.810181 
15.61677 
1 1 1 23  18  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  18  14 o 67.42105 8.318762  1057.500       230.2789 1151.718       
333.7895 971.9280       318.1035 70.95431 11.20508 63.88780 12.29851 7.066505 
16.63752 
1 1 1 23  18  15 o 63.21637 6.023840  891.2512       158.4072 793.9208       
230.2663 978.6953       218.2588 59.64519 9.195514 66.78755 7.783901 -7.142361 
12.04768 
1 1 1 23  18  16 o 39.80211 7.916374  339.0262       147.7426 603.5845       
230.5152 154.5849       192.4721 50.35399 11.19734 29.25023 11.19354 21.10376 
15.83275 
1 1 1 23  18  17 o 26.52987 7.778332  70.91302       142.0362 105.1550       
210.3037 42.19327       192.6007 27.99763 11.38409 25.06211 10.60247 2.935520 
15.55666 
1 1 1 23  18  18 o 24.54375 7.350870  -1.805015      141.7114 -175.2847      
209.5634 144.3615       192.3602 20.46596 9.599585 28.62155 11.13504 -8.155596 
14.70174 
1 1 1 23  18  19 o 41.36215 8.598273  425.5945       173.1881 208.6001       
255.3540 610.4359       235.6775 32.75773 12.81186 49.96658 11.47072 -17.20884 
17.19655 
1 1 1 23  18  20 o 26.41691 8.275501  -9.098976      181.6234 -37.37634      
247.9758 23.62467       266.7600 25.26920 11.31551 27.56462 12.07870 -2.295425 
16.55100 
1 1 1 23  18  21 o 32.67843 9.028523  213.1171       182.1488 126.6515       
254.9906 303.2111       260.2856 29.66805 12.35524 35.68881 13.16833 -6.020760 
18.05705 
1 1 1 23  18  22 f 43.42193 9.419003  503.9308       188.5678 456.9687       
265.9050 551.4410       267.4520 41.41335 13.41479 45.43050 13.22550 -4.017147 
18.83801 
1 1 1 23  18  23 o 28.90155 8.380370  106.7549       160.5577 7.004511       
201.7318 279.1389       265.1952 23.66781 10.43390 34.13529 13.11702 -10.46748 
16.76074 
1 1 1 23  18  24 o 25.15991 7.791598  21.42263       161.9781 -103.4346      
244.7906 118.6711       216.0376 22.96611 10.64494 27.35370 11.38074 -4.387590 
15.58320 
1 1 1 23  18  25 o 28.70810 8.301197  136.0927       159.1539 41.33731       
206.2022 275.7224       250.3112 24.39796 10.65583 33.01823 12.73157 -8.620266 
16.60239 
1 1 1 23  18  26 o 32.09499 8.935801  256.0347       184.1171 127.6452       
280.0626 353.7600       244.3396 28.72360 12.48143 35.46638 12.79093 -6.742781 
17.87160 
1 1 1 23  18  27 o 43.93163 8.044083  552.3370       134.6509 472.6348       
314.0568 570.2881       149.0450 38.35361 14.40185 49.50965 7.170485 -11.15604 
16.08817 
1 1 1 23  18  28 o 26.13553 7.348488  156.7909       121.3912 -150.5286      
309.0254 212.8651       132.0021 23.56900 11.25284 28.70205 9.453819 -5.133055 
14.69698 
1 1 1 23  18  29 f 26.69479 7.934916  155.3649       132.6838 82.61031       
324.6244 169.9571       145.3822 27.24870 12.48078 26.14088 9.802125 1.107819 
15.86983 
1 1 1 23  18  30 o 20.56307 6.720060  -2.810734      108.8739 -7.999792      
257.1163 -1.677044      120.1800 23.36617 10.86078 17.75996 7.917087 5.606207 
13.44012 
1 1 1 23  18  31 o 26.82976 7.866717  136.9991       131.7346 414.0551       
257.2599 38.53157       153.3680 33.32224 12.89498 20.33727 9.014454 12.98496 
15.73343 
1 1 1 23  18  32 o 18.58436 6.352132  -92.80540      132.9009 -91.61530      
256.8362 -93.24059      155.3104 20.49109 9.896402 16.67763 7.966151 3.813461 
12.70426 
1 1 1 23  19  0  o 26.83485 8.005830  71.35741       153.5588 16.36867       
246.8617 106.0640       196.1205 26.58851 11.63545 27.08120 10.99953 
-0.4926949     16.01166 
1 1 1 23  19  1  o 52.16943 6.459010  627.9880       137.5488 683.5431       
191.7614 569.1130       197.4081 55.25924 8.265656 49.07963 9.927444 6.179611 
12.91802 
1 1 1 23  19  2  o 27.19790 7.442280  102.6911       129.3569 -23.44615      
184.2162 225.3877       181.6864 22.52360 9.944707 31.87220 11.07488 -9.348600 
14.88456 
1 1 1 23  19  3  o 29.77021 7.998490  166.9969       138.2721 148.2014       
196.8007 185.3207       194.3155 29.04170 11.27016 30.49873 11.35283 -1.457029 
15.99698 
1 1 1 23  19  4  o 29.99292 7.827473  147.2038       136.1874 296.4186       
206.5411 32.42843       181.1445 35.80613 11.82552 24.17972 10.25838 11.62640 
15.65495 
1 1 1 23  19  5  o 42.55010 8.218246  442.5716       154.5042 533.8859       
206.1026 325.4198       233.4471 47.61401 10.58765 37.48620 12.57220 10.12780 
16.43649 
1 1 1 23  19  6  o 29.87613 8.251344  131.6675       158.5920 247.6829       
210.9344 -19.19418      240.5354 33.81007 11.91506 25.94219 11.41796 7.867878 
16.50269 
1 1 1 23  19  7  o 77.08066 6.333750  1300.006       198.7332 1241.136       
249.8551 1401.392       327.8924 75.20566 7.913320 78.95566 9.891660 -3.750000 
12.66750 
1 1 1 23  19  8  o 26.70504 7.950191  42.24327       151.7244 -11.00696      
202.0515 111.0928       229.7482 24.14800 10.54734 29.26208 11.89857 -5.114084 
15.90038 
1 1 1 23  19  9  o 71.87008 5.571933  1074.483       163.7680 1431.136       
270.3744 867.8077       205.8197 80.77666 7.972614 62.96349 7.786088 17.81317 
11.14387 
1 1 1 23  19  10 o 24.25611 7.697877  -74.02538      163.6226 -113.3285      
226.2913 -30.96340      236.8652 22.99478 10.48856 25.51744 11.27029 -2.522655 
15.39575 
1 1 1 23  19  11 o 33.11483 8.755486  197.9948       177.1555 -16.99170      
281.1870 339.4975       228.1246 28.00775 12.33603 38.22190 12.42805 -10.21415 
17.51097 
1 1 1 23  19  12 o 31.67472 9.084518  134.6196       191.9412 42.95426       
279.0065 216.9810       264.4684 29.33890 12.59777 34.01054 13.09237 -4.671637 
18.16904 
1 1 1 23  19  13 o 31.68357 9.459921  91.24788       210.6982 139.5425       
340.6518 61.32492       268.1412 34.04294 14.23541 29.32421 12.46249 4.718737 
18.91984 
1 1 1 23  19  14 o 38.54159 9.901254  331.2365       206.6843 322.0977       
310.6832 338.4921       276.8288 38.52728 14.35245 38.55590 13.64355 
-0.2861404E-01 19.80251 
1 1 1 23  19  15 o 77.63919 11.31929  1395.207       368.9597 1395.207       
368.9597 0.000000       0.000000 77.63919 11.31929 ?        ?        ? ? 
1 1 1 23  19  16 o 57.43313 9.210980  816.3735       218.3140 967.9990       
311.8138 670.5782       305.7604 63.33107 12.16122 51.53519 13.83739 11.79589 
18.42196 
1 1 1 23  19  17 o 42.64835 8.067482  427.1708       150.4427 597.7229       
227.7413 295.1248       200.3899 49.82755 11.16508 35.46914 11.64809 14.35841 
16.13496 
1 1 1 23  19  18 o 49.40899 7.672918  574.4426       154.9192 751.0857       
236.2088 441.1049       205.2223 56.30797 10.38143 42.51001 11.30135 13.79796 
15.34584 
1 1 1 23  19  19 o 31.33032 8.551411  150.0643       170.3990 342.9710       
249.9270 -17.49776      232.9310 37.56283 12.99530 25.09781 11.11885 12.46502 
17.10282 
1 1 1 23  19  20 f 45.55498 9.330428  540.0397       188.6019 533.1939       
261.5692 547.4529       272.1946 45.33835 13.04078 45.77161 13.34787 
-0.4332542     18.66086 
1 1 1 23  19  21 o 24.47417 7.817258  -124.4347      181.6010 -347.3881      
255.7330 102.3594       257.9263 19.99895 9.702923 28.94939 12.25934 -8.950436 
15.63452 
1 1 1 23  19  22 o 30.90923 8.848578  182.3994       178.2150 201.9092       
243.8815 160.0438       261.0630 31.35499 12.44492 30.46347 12.58227 0.8915138 
17.69716 
1 1 1 23  19  23 o 27.29517 8.405586  50.15666       181.8615 -31.39920      
249.0248 143.3622       266.2171 24.79076 11.20910 29.79958 12.52883 -5.008825 
16.81117 
1 1 1 23  19  24 o 20.96753 7.040971  -263.7719      173.4781 -24.89426      
246.6313 -497.6931      244.0592 24.60276 11.13796 17.33230 8.616671 7.270460 
14.08194 
1 1 1 23  19  25 o 24.30441 7.799746  -23.62577      172.6163 -36.88725      
259.8521 -13.15192      230.9316 24.63746 11.23826 23.97136 10.81876 0.6660957 
15.59949 
1 1 1 23  19  26 o 28.56620 8.285995  120.9290       126.0927 343.7838       
298.5038 72.52736       139.1134 34.87618 13.79160 22.25621 9.188172 12.61997 
16.57199 
1 1 1 23  19  27 o 23.97404 7.551334  49.91672       127.0809 22.02035       
300.6298 55.98599       140.2253 26.48087 12.08150 21.46721 9.062449 5.013657 
15.10267 
1 1 1 23  19  28 o 23.80677 7.387984  72.81989       127.2509 -86.72607      
303.3863 106.8803       140.1773 24.26805 11.42214 23.34549 9.373579 0.9225521 
14.77597 
1 1 1 23  19  29 f 25.20212 7.113148  133.3497       131.0856 -403.5182      
326.1611 236.7744       143.1563 20.81544 10.26940 29.58879 9.845146 -8.773342 
14.22630 
1 1 1 23  19  30 o 19.57666 6.661573  -113.6391      129.2715 -50.78702      
276.6900 -131.1896      146.2102 23.12941 10.89258 16.02391 7.671885 7.105495 
13.32315 
1 1 1 23  19  31 o 20.43404 6.699140  -5.071204      130.7209 -146.7659      
262.5054 41.65250       150.7405 20.58171 9.951308 20.28638 8.971364 0.2953339 
13.39828 
1 1 1 23  19  32 o 20.37243 6.781470  -9.989840      131.3493 73.82925       
253.1541 -40.86675      153.6492 23.05313 10.73897 17.69173 8.284190 5.361393 
13.56294 
1 1 1 23  20  0  o 54.37642 7.072962  697.1650       157.6008 810.1902       
233.2143 602.1653       213.8101 59.10666 9.398097 49.64619 10.57274 9.460468 
14.14592 
1 1 1 23  20  1  o 36.48700 8.160267  311.9608       139.8826 418.5065       
218.3616 237.8075       182.1687 40.86030 11.96804 32.11370 11.09621 8.746605 
16.32053 
1 1 1 23  20  2  o 48.87098 7.558231  572.2436       149.5740 610.9017       
229.2819 543.6034       197.3504 50.04602 11.19494 47.69594 10.15780 2.350079 
15.11646 
1 1 1 23  20  3  o 31.78589 8.145104  217.4988       141.9040 156.8516       
213.3295 265.6307       190.0474 29.74414 11.69168 33.82764 11.34352 -4.083504 
16.29021 
1 1 1 23  20  4  o 24.74964 7.648565  -6.542264      151.3950 43.29800       
219.1310 -52.05839      209.4094 26.30650 11.22560 23.19279 10.39174 3.113712 
15.29713 
1 1 1 23  20  5  o 37.64591 8.297688  338.7528       151.8071 211.0414       
226.1691 443.4653       204.7942 32.40303 12.21097 42.88879 11.23827 -10.48576 
16.59538 
1 1 1 23  20  6  o 37.85122 8.011599  270.2623       150.2433 72.74953       
190.1021 598.9185       245.2224 25.99953 10.73763 49.70292 11.89312 -23.70339 
16.02320 
1 1 1 23  20  7  o 66.15949 7.501789  1038.057       192.2744 1113.474       
243.7300 913.7799       312.8732 70.94591 8.182815 61.37307 12.57573 9.572834 
15.00358 
1 1 1 23  20  8  o 22.27417 6.955104  -42.80199      127.3396 30.11616       
195.8533 -96.19973      167.6003 24.92787 10.62419 19.62046 8.978888 5.307405 
13.91021 
1 1 1 23  20  9  o 51.80344 7.717692  565.5446       155.6116 893.8885       
279.0178 417.3076       187.4761 61.60651 11.20133 42.00036 10.61986 19.60615 
15.43538 
1 1 1 23  20  10 o 83.92738 6.723585  1571.423       229.4152 1624.673       
375.7697 1539.781       289.6655 84.38391 10.60677 83.47086 8.265764 0.9130554 
13.44717 
1 1 1 23  20  11 o 32.83667 9.187654  185.5734       187.3545 179.8755       
270.2850 190.8433       259.9365 32.82346 13.07812 32.84988 12.90793 
-0.2642059E-01 18.37531 
1 1 1 23  20  12 o 29.15246 8.855353  44.10682       195.6142 0.3879217      
278.7206 86.54437       274.6057 28.13729 12.33795 30.16763 12.70606 -2.030336 
17.71071 
1 1 1 23  20  13 o 39.24120 9.297451  319.7863       195.8940 584.6979       
290.7952 99.68626       265.0616 48.35970 13.69905 30.12269 12.57404 18.23702 
18.59490 
1 1 1 23  20  14 o 30.94513 9.278311  74.28732       214.7668 -74.23620      
322.8427 192.1929       287.6473 28.31625 12.78509 33.57400 13.44952 -5.257744 
18.55662 
1 1 1 23  20  15 o 30.21803 9.066420  79.39056       200.4786 137.0753       
288.4793 25.50914       278.8071 31.87793 13.20005 28.55812 12.43215 3.319815 
18.13284 
1 1 1 23  20  16 o 29.08489 12.59919  42.92689       283.7044 0.000000       
0.000000 42.92689       283.7044 ?        ?        29.08489 12.59919 ? ? 
1 1 1 23  20  17 o 33.07848 12.58010  225.3807       241.8701 225.3807       
241.8701 0.000000       0.000000 33.07848 12.58010 ?        ?        ? ? 
1 1 1 23  20  18 o 36.58657 8.924773  325.3473       173.3970 412.4382       
217.5822 173.7733       287.0446 40.75880 11.94934 32.41433 13.25970 8.344471 
17.84955 
1 1 1 23  20  19 o 50.68446 9.412461  665.9722       202.1339 690.0151       
301.2996 646.2952       272.5749 51.22879 13.72749 50.14012 12.88153 1.088669 
18.82492 
1 1 1 23  20  20 o 31.44456 8.714455  167.1348       179.7072 334.0059       
250.5045 -9.799669      257.9475 36.73581 12.98075 26.15330 11.63043 10.58251 
17.42891 
1 1 1 23  20  21 o 53.83733 8.422632  730.8798       192.8071 481.6596       
264.1551 1015.043       282.0663 42.47102 13.32641 65.20364 10.30387 -22.73261 
16.84526 
1 1 1 23  20  22 f 31.28910 8.340996  187.4562       165.8967 -22.62183      
242.4007 372.5515       227.5313 24.80694 11.14604 37.77126 12.41188 -12.96432 
16.68199 
1 1 1 23  20  23 o 48.26640 8.357129  593.6641       166.6294 749.3195       
262.2554 488.2860       215.7833 53.43050 11.98747 43.10231 11.64762 10.32819 
16.71426 
1 1 1 23  20  24 o 31.51147 7.809433  209.7526       153.2016 428.6345       
205.2440 -65.64205      230.2202 40.09494 11.55791 22.92801 10.50541 17.16694 
15.61887 
1 1 1 23  20  25 o 29.30179 8.319355  129.8779       126.4897 368.7675       
294.4187 75.80311       140.0760 36.05661 13.83082 22.54697 9.249599 13.50965 
16.63871 
1 1 1 23  20  26 o 22.80814 7.382298  -11.41737      117.5845 75.99255       
293.7470 -28.09582      128.3131 27.66914 12.35481 17.94713 8.084062 9.722008 
14.76460 
1 1 1 23  20  27 o 27.38594 7.781400  99.90469       122.1480 354.7055       
248.3157 18.56922       140.2955 34.68819 12.84936 20.08368 8.780357 14.60451 
15.56280 
1 1 1 23  20  28 o 22.87658 7.299075  37.80587       129.4479 -133.8797      
312.0739 73.48454       142.2640 23.76101 11.33586 21.99216 9.198060 1.768850 
14.59815 
1 1 1 23  20  29 o 27.60061 7.464708  204.7023       123.1794 13.92773       
277.4841 251.5230       137.4664 24.73401 11.41418 30.46721 9.623091 -5.733196 
14.92942 
1 1 1 23  20  30 o 43.03013 8.231744  510.1028       139.6319 736.4138       
268.7530 426.4254       163.4197 47.08746 13.11538 38.97281 9.951543 8.114647 
16.46349 
1 1 1 23  20  31 o 45.57387 7.229174  617.0064       134.8361 562.4355       
217.9364 650.8500       171.6277 41.09008 11.93111 50.05765 8.166537 -8.967571 
14.45835 
1 1 1 23  20  32 o 30.95242 8.067824  334.8202       131.2077 381.1134       
266.8509 320.0600       150.6800 30.13613 12.60040 31.76871 10.07914 -1.632586 
16.13565 
1 1 1 23  21  0  o 47.16701 7.899817  561.5636       154.4641 622.1970       
220.1031 502.7233       216.8242 49.99304 10.79352 44.34097 11.53813 5.652069 
15.79963 
1 1 1 23  21  1  o 30.82587 7.927812  194.5710       137.2294 316.8068       
204.1909 93.88284       185.3217 35.73182 11.75804 25.91991 10.63716 9.811905 
15.85562 
1 1 1 23  21  2  f 55.09975 7.071743  740.5448       154.4341 616.8785       
240.3883 827.4546       201.5218 49.58250 11.71896 60.61700 7.918603 -11.03450 
14.14349 
1 1 1 23  21  3  o 35.74990 7.619380  301.1186       132.0983 162.3838       
185.6259 443.4666       188.0276 28.82329 11.00355 42.67651 10.54237 -13.85323 
15.23876 
1 1 1 23  21  4  o 37.42686 7.914218  316.3886       138.4310 189.7838       
180.8751 495.4051       215.0801 29.99679 10.98662 44.85694 11.39445 -14.86015 
15.82844 
1 1 1 23  21  5  o 56.86656 6.669044  724.3723       152.1082 993.1126       
235.8207 532.9047       199.0505 66.50596 8.445831 47.22717 10.32340 19.27879 
13.33809 
1 1 1 23  21  6  o 67.75664 7.234089  1078.265       191.9703 1113.061       
243.2913 1020.861       312.4914 70.62901 8.204734 64.88427 11.91682 5.744736 
14.46818 
1 1 1 23  21  7  o 37.93462 8.769790  345.2905       157.3525 359.6464       
193.2995 317.0912       270.9159 38.65171 11.24084 37.21753 13.46404 1.434177 
17.53958 
1 1 1 23  21  8  o 41.17534 8.545252  389.2182       154.6546 537.8472       
254.1291 301.7957       194.9012 46.56292 12.66602 35.78777 11.47420 10.77515 
17.09050 
1 1 1 23  21  9  o 35.50450 8.406636  170.8195       163.3860 577.3453       
277.5735 -44.70697      202.1084 47.98917 13.31658 23.01983 10.26426 24.96934 
16.81327 
1 1 1 23  21  10 o 76.32933 7.209358  1323.617       223.4908 1368.098       
366.4608 1297.276       282.0049 76.55786 11.40142 76.10081 8.826498 0.4570541 
14.41872 
1 1 1 23  21  11 o 37.33324 8.973536  266.9455       171.2861 535.7308       
286.4114 117.2873       213.7165 46.14077 13.75843 28.52572 11.52402 17.61505 
17.94707 
1 1 1 23  21  12 o 59.21774 8.148187  847.9363       196.5359 601.1008       
278.5859 1092.509       277.3059 48.98100 13.23374 69.45448 9.509988 -20.47348 
16.29637 
1 1 1 23  21  13 o 76.04759 7.602651  1328.335       241.6825 1505.078       
359.0670 1181.940       326.7899 80.74076 10.59263 71.35442 10.90860 9.386345 
15.20530 
1 1 1 23  21  14 o 63.61941 8.993729  1001.161       231.6093 1082.221       
322.8757 915.2366       332.4229 66.90647 11.92261 60.33234 13.46848 6.574131 
17.98746 
1 1 1 23  21  15 o 35.94086 9.501119  276.1966       196.1271 184.5070       
272.9042 374.1370       282.0533 32.57085 13.07841 39.31088 13.78551 -6.740028 
19.00224 
1 1 1 23  21  16 o 66.65686 8.136836  1075.344       217.6740 1132.530       
287.3554 998.3473       333.4333 70.21838 9.747418 63.09534 13.03151 7.123039 
16.27367 
1 1 1 23  21  17 o 35.39917 9.225474  283.1953       188.7162 385.5492       
242.9473 127.4810       299.6568 39.32959 12.82546 31.46875 13.26443 7.860836 
18.45095 
1 1 1 23  21  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  21  19 o 38.71957 8.645080  370.4259       156.3626 452.5122       
240.6645 310.4636       205.6913 41.88870 12.63654 35.55045 11.80117 6.338245 
17.29016 
1 1 1 23  21  20 o 23.59321 7.594903  -98.51762      171.5896 39.05758       
229.6415 -272.4221      258.1878 26.04004 11.30855 21.14638 10.14135 4.893654 
15.18981 
1 1 1 23  21  21 o 22.95153 7.527787  -119.5293      173.1041 -117.9626      
236.4154 -121.3401      254.1589 22.55414 10.45678 23.34893 10.83172 
-0.7947865     15.05557 
1 1 1 23  21  22 o 20.92509 7.047956  -213.2053      170.1970 -198.1856      
235.7238 -229.5623      245.9944 20.91525 9.928619 20.93493 10.00586 
-0.1967812E-01 14.09591 
1 1 1 23  21  23 o 40.58303 9.090815  453.4224       172.8298 468.3737       
259.0464 441.4284       232.0177 40.91642 13.23934 40.24964 12.46161 0.6667747 
18.18163 
1 1 1 23  21  24 o 49.12946 7.653111  670.5758       125.6814 527.6946       
294.7391 702.3299       138.9471 42.09306 14.12654 56.16586 5.892479 -14.07280 
15.30622 
1 1 1 23  21  25 o 29.67543 8.315723  175.0161       126.0641 295.9145       
296.9576 148.4385       139.2328 33.57822 13.57632 25.77263 9.606698 7.805597 
16.63145 
1 1 1 23  21  26 o 26.29481 7.925051  107.5577       124.3230 159.0049       
299.2007 96.82146       136.6810 29.51875 12.86455 23.07086 9.259001 6.447886 
15.85010 
1 1 1 23  21  27 o 23.74399 7.624212  18.29156       125.7413 114.0311       
308.6533 -0.7595634     137.6846 28.24615 12.63703 19.24183 8.533462 9.004318 
15.24842 
1 1 1 23  21  28 o 25.13423 7.734157  65.65044       132.5335 235.4956       
268.0981 10.72001       152.4662 30.03589 12.59801 20.23256 8.975460 9.803326 
15.46831 
1 1 1 23  21  29 o 27.74963 7.896778  193.7732       132.1065 210.3138       
253.1600 187.5837       154.8638 28.62177 12.13432 26.87748 10.10914 1.744287 
15.79356 
1 1 1 23  21  30 o 36.91079 7.932987  451.5977       141.1142 316.0305       
265.9532 504.7204       166.4822 30.86891 12.71801 42.95267 9.485854 -12.08377 
15.86597 
1 1 1 23  21  31 o 21.36538 6.895612  38.22851       134.5287 -105.8928      
264.4247 88.56002       156.2636 20.94912 10.09905 21.78163 9.391858 
-0.8325062     13.79122 
1 1 1 23  21  32 o 18.91033 6.216548  -4.561122      114.2830 -70.31908      
209.6342 23.24568       136.3212 19.26630 9.215154 18.55437 8.346426 0.7119331 
12.43310 
1 1 1 23  22  0  o 23.81581 7.342793  19.94705       140.0446 81.33376       
193.0209 -48.28624      203.5004 25.40838 10.67478 22.22323 10.08541 3.185150 
14.68559 
1 1 1 23  22  1  o 34.25189 7.744523  295.1617       130.7688 196.9544       
197.4905 371.8392       174.5052 30.00845 11.38068 38.49533 10.50670 -8.486876 
15.48905 
1 1 1 23  22  2  o 29.89772 7.845576  196.9125       131.4205 168.7268       
200.9035 217.9947       173.7523 29.13721 11.37058 30.65823 10.81305 -1.521019 
15.69115 
1 1 1 23  22  3  o 61.49996 6.025336  859.5698       154.3243 1017.024       
226.8474 723.9180       210.5571 66.97364 8.067722 56.02629 8.951567 10.94735 
12.05067 
1 1 1 23  22  4  o 31.20063 6.718458  154.0119       136.8071 -273.7571      
211.1701 463.4109       179.5921 18.62084 8.988520 43.78043 9.987853 -25.15959 
13.43692 
1 1 1 23  22  5  o 31.04750 7.634695  193.5649       137.9164 -1.350232      
204.2479 356.9163       186.9804 23.99259 10.54088 38.10241 11.04735 -14.10982 
15.26939 
1 1 1 23  22  6  o 34.75253 8.744589  276.2714       171.3493 394.1269       
222.1253 103.0745       269.2731 39.74715 12.17025 29.75789 12.56011 9.989260 
17.48918 
1 1 1 23  22  7  o 25.08824 8.015709  -59.71225      178.1298 -137.8457      
289.3098 -12.00785      226.0600 25.24156 11.65087 24.93493 11.01198 0.3066330 
16.03142 
1 1 1 23  22  8  o 26.68444 7.785858  26.00642       135.8618 235.9640       
245.2890 -66.91255      163.1791 33.47574 12.68696 19.89315 9.028812 13.58259 
15.57172 
1 1 1 23  22  9  o 76.27583 6.187465  1273.340       191.9763 1474.977       
321.3984 1161.494       239.3700 80.33437 9.529354 72.21731 7.894953 8.117058 
12.37493 
1 1 1 23  22  10 o 31.75024 8.959339  165.1765       188.0044 0.2807139      
297.4375 274.8897       242.6166 28.51583 12.60750 34.98465 12.73303 -6.468822 
17.91868 
1 1 1 23  22  11 o 64.13484 7.480974  942.4672       195.0326 1134.334       
305.7380 810.8218       253.2520 69.94414 10.41164 58.32554 10.74512 11.61860 
14.96195 
1 1 1 23  22  12 o 36.70408 9.667457  302.1469       196.7518 315.6874       
313.5703 293.3542       252.6828 37.56161 14.31254 35.84655 12.99961 1.715061 
19.33491 
1 1 1 23  22  13 o 24.15173 7.890895  -161.3866      189.7771 -37.50213      
273.2709 -276.7915      263.7528 26.59378 11.89441 21.70968 10.37247 4.884106 
15.78179 
1 1 1 23  22  14 f 48.75062 9.003779  580.5303       188.6936 417.2980       
248.4373 803.0748       290.0828 40.80272 12.94175 56.69852 12.52131 -15.89581 
18.00756 
1 1 1 23  22  15 o 30.67113 8.802896  148.9157       174.2535 114.9584       
226.1142 198.5747       273.4391 28.58456 11.74338 32.75770 13.11705 -4.173143 
17.60579 
1 1 1 23  22  16 o 70.51886 8.054715  1228.496       222.9857 1600.098       
313.3046 847.0328       317.4347 83.76472 8.908955 57.27300 13.42178 26.49171 
16.10943 
1 1 1 23  22  17 o 27.42755 8.560243  -1.556770      196.8055 95.88015       
272.3987 -107.9597      284.6558 29.47985 12.54579 25.37525 11.64965 4.104593 
17.12049 
1 1 1 23  22  18 o 44.07234 9.114603  509.0086       180.7786 570.1040       
249.2166 441.1598       262.6295 47.03769 12.43064 41.10700 13.33354 5.930683 
18.22921 
1 1 1 23  22  19 o 28.67364 7.728631  120.9185       142.1365 308.8285       
206.1298 -49.42062      196.2561 35.27046 11.81374 22.07681 9.968077 13.19365 
15.45726 
1 1 1 23  22  20 o 26.94020 11.22457  100.1569       210.6111 100.1569       
210.6111 0.000000       0.000000 26.94020 11.22457 ?        ?        ? ? 
1 1 1 23  22  21 o 19.79820 6.600619  -187.6467      144.7432 -64.89437      
210.1150 -298.5084      199.6792 22.23828 10.13360 17.35811 8.460670 4.880165 
13.20124 
1 1 1 23  22  22 o 32.10931 8.797352  216.6659       178.0263 376.4439       
255.5303 65.96516       248.1656 37.28569 13.11686 26.93292 11.72696 10.35276 
17.59470 
1 1 1 23  22  23 o 50.19731 7.807550  550.3422       132.5803 865.5975       
307.9862 478.6345       146.8867 55.56437 13.34929 44.83025 8.101105 10.73412 
15.61510 
1 1 1 23  22  24 o 30.51425 8.175362  213.1803       122.6650 232.4533       
292.3189 209.0612       135.1388 31.94169 13.26076 29.08680 9.565484 2.854889 
16.35072 
1 1 1 23  22  25 o 51.22887 7.648964  693.4240       123.8557 673.0832       
301.4418 697.5555       135.8528 46.64285 14.15683 55.81489 5.797482 -9.172035 
15.29793 
1 1 1 23  22  26 o 35.89921 7.904179  375.4461       126.6907 249.4954       
301.4377 402.4675       139.6210 31.59202 13.30948 40.20640 8.530058 -8.614378 
15.80836 
1 1 1 23  22  27 o 31.35643 8.026277  259.9964       123.1922 280.7811       
264.9579 254.2639       139.1472 31.69675 12.82053 31.01610 9.660147 0.6806469 
16.05255 
1 1 1 23  22  28 o 27.10663 7.644794  180.8974       134.6114 45.56827       
252.6300 234.5540       159.0746 24.83292 11.25578 29.38035 10.34789 -4.547432 
15.28959 
1 1 1 23  22  29 f 22.69104 7.232453  -7.371860      130.7400 193.0254       
246.7916 -85.55351      154.1476 27.86233 11.90201 17.51976 8.220445 10.34256 
14.46491 
1 1 1 23  22  30 o 18.45270 6.283291  -121.6975      130.7571 -178.6168      
250.5927 -100.4024      153.2777 19.99295 9.676355 16.91245 8.017926 3.080503 
12.56658 
1 1 1 23  22  31 o 27.01291 7.911859  220.1301       135.9374 279.2126       
265.7570 199.1937       158.1997 28.10766 12.18527 25.91817 10.09501 2.189491 
15.82372 
1 1 1 23  22  32 o 25.97583 7.843625  173.1554       130.8109 401.3788       
269.0233 102.4878       149.6994 30.39809 12.67696 21.55358 9.240379 8.844513 
15.68725 
1 1 1 23  23  0  o 26.62887 7.541303  130.4122       128.4261 179.1079       
189.4984 89.04758       174.6525 28.57156 11.06500 24.68618 10.24943 3.885384 
15.08261 
1 1 1 23  23  1  o 26.33818 6.935245  20.52443       134.5124 336.1250       
187.4410 -314.5790      193.1458 36.00487 11.21148 16.67148 8.166590 19.33339 
13.87049 
1 1 1 23  23  2  o 25.56499 7.288994  75.97558       125.4002 214.0596       
190.0370 -30.52398      166.8938 30.43769 11.24764 20.69229 9.274067 9.745405 
14.57799 
1 1 1 23  23  3  o 34.04805 7.851382  290.1853       131.7805 218.5242       
196.9248 348.3023       177.3414 30.91392 11.44444 37.18218 10.75182 -6.268261 
15.70276 
1 1 1 23  23  4  o 30.37620 8.240590  196.0348       147.5698 162.1587       
227.2160 220.7487       194.0718 29.63713 11.91979 31.11528 11.38191 -1.478155 
16.48118 
1 1 1 23  23  5  f 30.13332 8.188847  161.3599       156.9316 -0.9296809     
227.5896 308.4656       216.6815 24.92740 11.02369 35.33923 12.11227 -10.41183 
16.37769 
1 1 1 23  23  6  o 27.51496 8.426545  39.27063       181.4020 132.8431       
262.1015 -46.76231      251.3204 30.02847 12.51717 25.00145 11.28482 5.027016 
16.85309 
1 1 1 23  23  7  o 42.30966 8.984005  461.3119       173.2539 406.1308       
246.5765 515.1197       243.4887 39.84438 12.91917 44.77495 12.48777 -4.930576 
17.96801 
1 1 1 23  23  8  o 27.69153 8.193207  96.15829       157.2882 -21.25013      
283.4244 148.4095       189.0757 27.09449 12.11599 28.28856 11.03256 -1.194071 
16.38641 
1 1 1 23  23  9  o 25.00585 7.717857  -68.85877      151.9502 180.3667       
256.5517 -203.5265      188.5864 31.55077 12.67566 18.46093 8.808453 13.08984 
15.43571 
1 1 1 23  23  10 o 38.52960 9.237957  355.2389       170.3256 426.4150       
297.0921 320.3904       207.8817 40.80708 14.16364 36.25212 11.86383 4.554966 
18.47591 
1 1 1 23  23  11 o 41.76570 9.202839  446.4484       185.6110 305.6859       
271.2886 570.3298       254.5020 36.21731 13.42763 47.31409 12.58840 -11.09678 
18.40568 
1 1 1 23  23  12 o 88.33478 7.043478  1814.380       261.0273 1726.510       
365.6616 1905.684       372.7369 86.01057 10.12625 90.65900 9.792927 -4.648430 
14.08696 
1 1 1 23  23  13 o 38.34240 9.328260  277.5012       199.9581 25.42796       
258.2388 654.9235       315.9889 27.20438 11.90279 49.48042 14.36626 -22.27605 
18.65652 
1 1 1 23  23  14 o 53.58200 8.946502  718.2671       193.5955 668.7852       
245.0750 800.3900       315.7241 51.90480 11.54838 55.25920 13.66728 -3.354408 
17.89300 
1 1 1 23  23  15 o 31.28867 9.120131  150.0486       185.4130 110.4935       
228.6219 226.0589       316.9225 28.31473 11.73944 34.26261 13.96039 -5.947886 
18.24026 
1 1 1 23  23  16 o 35.88687 9.403078  296.4383       195.5779 424.2686       
271.8568 159.3033       281.5771 40.37805 13.56710 31.39569 13.02326 8.982367 
18.80616 
1 1 1 23  23  17 o 25.68242 8.187913  -43.37009      184.2298 -76.11012      
239.1863 4.384184       288.8703 23.73430 10.81440 27.63055 12.29701 -3.896248 
16.37583 
1 1 1 23  23  18 o 36.03092 9.044881  323.4356       172.1234 362.0444       
247.6631 287.3643       239.3865 37.54854 12.94151 34.51330 12.63949 3.035236 
18.08976 
1 1 1 23  23  19 o 35.12016 8.427564  311.2193       148.6248 290.0939       
216.9260 329.9093       204.0397 34.22290 12.08082 36.01741 11.75369 -1.794506 
16.85513 
1 1 1 23  23  20 o 24.58182 7.524462  38.49426       142.8150 69.64964       
207.8500 10.63040       196.5641 25.69265 10.94727 23.47099 10.32605 2.221663 
15.04892 
1 1 1 23  23  21 o 20.52950 9.599010  -124.5387      204.6502 0.000000       
0.000000 -124.5387      204.6502 ?        ?        20.52950 9.599010 ? ? 
1 1 1 23  23  22 o 27.73138 12.46554  29.69523       303.5260 29.69523       
303.5260 0.000000       0.000000 27.73138 12.46554 ?        ?        ? ? 
1 1 1 23  23  23 o 27.76303 8.098725  143.7034       125.7794 113.6483       
318.3625 149.2625       136.9182 29.64081 13.08204 25.88525 9.550790 3.755560 
16.19745 
1 1 1 23  23  24 o 62.75623 7.978759  1101.791       145.4172 907.0137       
352.9013 1141.627       159.5964 53.67752 15.05452 71.83495 5.291860 -18.15742 
15.95752 
1 1 1 23  23  25 f 27.76347 7.608989  185.0724       126.5576 -70.19165      
305.7367 237.8560       139.0280 25.11294 11.73840 30.41400 9.684875 -5.301062 
15.21798 
1 1 1 23  23  26 o 24.71240 7.592168  59.22215       123.9916 191.9197       
261.8535 20.86998       140.7739 29.27822 12.37313 20.14658 8.801688 9.131639 
15.18434 
1 1 1 23  23  27 o 26.22977 7.088778  150.2086       129.1479 -176.7311      
246.9935 273.2294       151.5099 20.73557 9.938223 31.72398 10.11112 -10.98841 
14.17756 
1 1 1 23  23  28 o 20.79155 6.888117  -67.05605      132.2588 16.53669       
256.7988 -97.23438      154.2966 24.20630 11.09285 17.37680 8.169043 6.829500 
13.77623 
1 1 1 23  23  29 o 23.94241 7.332494  102.3324       129.6243 54.87663       
246.5941 120.4519       152.3746 24.25024 11.03099 23.63458 9.663288 0.6156616 
14.66499 
1 1 1 23  23  30 o 37.25141 8.279749  451.4316       139.3201 480.3849       
261.6634 439.9760       164.5900 35.57502 13.18772 38.92780 10.01504 -3.352783 
16.55950 
1 1 1 23  23  31 o 24.94486 6.916509  173.5897       128.8441 -182.8895      
260.6298 288.8862       148.2228 19.50628 9.539134 30.38344 10.01785 -10.87715 
13.83302 
1 1 1 23  23  32 o 17.65303 6.040927  -95.07567      123.6492 -220.2447      
258.9886 -58.12116      140.7233 18.75847 9.238735 16.54759 7.785690 2.210884 
12.08185 
1 1 1 23  24  0  f 19.18653 6.552937  -193.3409      140.5864 -211.0952      
263.7042 -186.2911      166.1701 21.56499 10.31962 16.80807 8.078942 4.756916 
13.10587 
1 1 1 23  24  1  o 33.86532 8.065736  301.7789       135.8835 293.0490       
192.5382 310.4421       191.8006 33.45063 11.41761 34.28002 11.39572 
-0.8293915     16.13147 
1 1 1 23  24  2  o 24.36639 7.532985  29.08496       149.7969 -143.4323      
262.3143 112.5691       182.4768 22.87706 10.73223 25.85571 10.57368 -2.978655 
15.06597 
1 1 1 23  24  3  o 27.25462 7.892660  130.6897       140.6913 68.33292       
249.4743 159.7706       170.3680 27.02536 11.76237 27.48388 10.52725 
-0.4585247     15.78532 
1 1 1 23  24  4  o 31.88845 8.579156  212.4703       153.5758 344.0878       
260.6828 142.5071       190.0599 36.28301 13.19928 27.49390 10.96297 8.789112 
17.15831 
1 1 1 23  24  5  o 77.10938 6.578111  1307.233       196.6326 1667.801       
369.5324 1164.817       232.2412 82.71321 10.64140 71.50555 7.736073 11.20766 
13.15622 
1 1 1 23  24  6  o 80.99600 7.777687  1609.454       262.6683 1438.793       
374.3145 1775.022       368.6877 75.95223 11.73862 86.03978 10.20658 -10.08755 
15.55537 
1 1 1 23  24  7  o 47.31316 9.323431  596.8890       191.1400 614.1681       
289.2360 583.4926       254.6758 47.50825 13.72884 47.11806 12.61842 0.3901901 
18.64686 
1 1 1 23  24  8  o 34.58791 8.262076  302.1714       157.6121 52.31788       
281.1598 416.6676       190.3294 28.38010 12.41848 40.79572 10.90087 -12.41563 
16.52415 
1 1 1 23  24  9  o 27.39184 8.243953  8.889645       159.4576 255.3056       
283.7822 -104.8111      192.7668 34.18395 13.46955 20.59973 9.509062 13.58422 
16.48791 
1 1 1 23  24  10 o 36.60925 9.370522  292.5387       184.6506 499.1752       
302.0279 169.2048       233.3376 42.98057 14.30014 30.23792 12.11333 12.74265 
18.74104 
1 1 1 23  24  11 o 40.01823 8.503057  403.3622       154.9625 480.8218       
228.3660 337.2562       210.9669 43.31243 12.09828 36.72404 11.95155 6.588387 
17.00611 
1 1 1 23  24  12 f 41.67326 8.980355  454.6596       171.1677 483.9247       
219.5038 409.2538       273.4150 43.65866 11.72502 39.68785 13.60555 3.970810 
17.96071 
1 1 1 23  24  13 f 71.41795 6.982378  1197.971       207.8435 1188.921       
278.0181 1209.439       312.9417 71.58051 9.251228 71.25540 10.46084 0.3251038 
13.96476 
1 1 1 23  24  14 o 33.66401 8.691641  259.4336       169.9579 375.9091       
222.7556 97.16822       262.9205 38.38847 12.26259 28.93955 12.32101 9.448927 
17.38328 
1 1 1 23  24  15 o 42.81771 9.107166  490.8029       181.7362 578.6484       
242.2183 377.6525       274.9003 47.37136 12.12704 38.26407 13.59032 9.107292 
18.21433 
1 1 1 23  24  16 o 36.71293 9.224887  342.0815       178.1841 356.4941       
234.4148 322.3584       274.2224 37.29960 12.59823 36.12625 13.47883 1.173351 
18.44977 
1 1 1 23  24  17 o 26.58014 8.251696  10.90341       177.4775 -78.56871      
234.1644 131.6772       272.0591 23.26039 10.63150 29.89990 12.62272 -6.639511 
16.50339 
1 1 1 23  24  18 o 32.49978 8.536571  206.6873       170.7319 4.127810       
237.3574 423.8503       245.7646 25.20246 11.18714 39.79711 12.89729 -14.59465 
17.07314 
1 1 1 23  24  19 o 28.27355 8.241784  132.6668       155.8807 111.2261       
202.6107 163.7660       244.0154 26.78750 11.07549 29.75961 12.20826 -2.972109 
16.48357 
1 1 1 23  24  20 o 20.67566 6.789088  -32.14806      104.0896 -126.8191      
276.0790 -16.46056      112.3832 23.89340 11.16299 17.45793 7.730109 6.435467 
13.57818 
1 1 1 23  24  21 f 24.57512 7.478539  76.61537       124.7408 -331.0063      
359.5485 132.3926       133.0018 24.09935 11.65110 25.05088 9.379019 
-0.9515305     14.95708 
1 1 1 23  24  22 o 30.75881 8.140522  229.1598       125.5362 144.3995       
314.3466 245.2428       136.9293 30.25049 13.18477 31.26712 9.551661 -1.016628 
16.28104 
1 1 1 23  24  23 o 34.02093 9.591918  295.6653       142.8940 0.000000       
0.000000 295.6653       142.8940 ?        ?        34.02093 9.591918 ? ? 
1 1 1 23  24  24 o 26.91949 7.868943  140.9562       126.6874 104.3915       
289.1101 149.6459       140.9394 28.12395 12.43258 25.71503 9.649463 2.408922 
15.73789 
1 1 1 23  24  25 o 31.80347 7.595417  275.3461       116.7789 220.3182       
233.0574 293.7940       134.9414 29.86897 12.04759 33.73798 9.252948 -3.869003 
15.19083 
1 1 1 23  24  26 o 19.66676 6.536008  -77.65861      122.9928 -102.4596      
241.0666 -68.93085      143.0058 21.78462 10.23237 17.54889 8.134871 4.235722 
13.07202 
1 1 1 23  24  27 o 41.52314 7.631294  423.1004       117.6348 635.1555       
248.0933 361.5984       133.6089 45.52563 12.57301 37.52065 8.652518 8.004978 
15.26259 
1 1 1 23  24  28 o 37.10489 7.594832  344.6328       115.9717 571.2855       
221.0406 258.5444       136.2273 43.46230 11.80829 30.74748 9.554595 12.71482 
15.18966 
1 1 1 23  24  29 o 21.06526 6.536818  14.40281       123.4949 -215.9816      
206.2400 143.1815       154.1943 17.72939 8.633908 24.40113 9.817106 -6.671740 
13.07364 
1 1 1 23  24  30 o 28.42233 7.162125  264.1521       124.0732 21.85206       
258.0439 337.0144       141.5038 22.81965 10.69435 34.02501 9.529695 -11.20535 
14.32425 
1 1 1 23  24  31 o 26.79216 7.140514  239.8548       122.8046 33.50503       
256.8529 301.0025       139.8210 22.31988 10.50653 31.26444 9.672676 -8.944561 
14.28103 
1 1 1 23  25  0  f 22.32461 6.834017  -2.162458      129.4913 -192.8362      
193.6089 152.1701       174.1841 18.17846 8.733457 26.47075 10.51389 -8.292290 
13.66803 
1 1 1 23  25  1  o 20.21256 6.293551  -49.10163      115.3507 105.7126       
154.8105 -242.3311      172.9545 24.18502 9.792566 16.24010 7.908272 7.944925 
12.58710 
1 1 1 23  25  2  o 29.82517 6.924093  202.3059       114.2438 363.2651       
160.7182 37.90881       162.4255 37.49968 10.01567 22.15066 9.563395 15.34902 
13.84819 
1 1 1 23  25  3  o 57.89265 8.054084  883.1404       184.1633 833.0145       
302.8059 912.5660       232.0045 54.10147 13.38709 61.68382 8.958726 -7.582340 
16.10817 
1 1 1 23  25  4  o 22.97514 7.289104  -6.392051      141.1532 -73.69770      
247.8208 25.92855       171.7322 23.52390 10.82908 22.42638 9.759871 1.097515 
14.57821 
1 1 1 23  25  5  o 25.00568 7.760954  6.659789       153.7801 141.4574       
249.6478 -75.76234      195.2129 28.98189 12.15640 21.02947 9.651506 7.952425 
15.52191 
1 1 1 23  25  6  o 57.91937 8.126271  863.0401       190.5958 874.7415       
269.3336 851.3023       269.7532 58.41920 11.38767 57.41954 11.59595 0.9996643 
16.25254 
1 1 1 23  25  7  o 29.24014 8.526272  106.4718       172.2355 298.3984       
271.3884 -22.96570      222.8711 34.68785 13.28666 23.79242 10.68896 10.89543 
17.05254 
1 1 1 23  25  8  o 51.69205 7.476749  625.7400       151.4113 836.1489       
259.9005 517.6407       186.2886 57.58313 11.14852 45.80097 9.965826 11.78217 
14.95350 
1 1 1 23  25  9  o 38.81044 7.941506  378.8286       138.9452 486.9929       
205.4261 287.6176       188.6414 43.67862 11.16004 33.94226 11.30148 9.736362 
15.88301 
1 1 1 23  25  10 o 54.43719 8.032412  750.6275       177.6254 789.9348       
249.9802 710.5433       252.4384 56.22950 10.98090 52.64489 11.72597 3.584618 
16.06482 
1 1 1 23  25  11 o 59.95128 7.557158  880.6545       184.3312 725.1215       
255.3552 1049.882       266.3602 53.21415 11.74462 66.68842 9.513492 -13.47427 
15.11432 
1 1 1 23  25  12 o 37.52546 9.182584  361.2713       187.3450 502.6776       
253.1550 190.0665       278.5544 43.32667 12.93820 31.72426 13.03389 11.60241 
18.36517 
1 1 1 23  25  13 o 30.85693 8.622004  122.9557       181.5799 -98.99265      
246.0364 388.4573       269.0958 23.38627 10.77537 38.32759 13.46281 -14.94132 
17.24401 
1 1 1 23  25  14 o 32.32322 9.017511  206.9353       194.2573 356.3622       
254.9105 -0.4116581E-01 300.0085 37.03900 13.09375 27.60744 12.40225 9.431557 
18.03502 
1 1 1 23  25  15 o 27.33229 8.409825  36.14250       186.8373 166.3315       
257.0424 -109.6946      272.0518 30.36149 12.50506 24.30308 11.24830 6.058413 
16.81965 
1 1 1 23  25  16 o 28.28980 8.625911  82.87424       188.6524 149.3941       
260.3391 9.321439       273.7558 29.85673 12.46218 26.72286 11.92977 3.133873 
17.25182 
1 1 1 23  25  17 o 32.49786 8.437781  181.4603       173.2276 -73.27626      
236.3340 477.2153       254.6518 23.28413 10.65830 41.71160 13.08377 -18.42747 
16.87556 
1 1 1 23  25  18 o 32.40545 9.092174  226.5069       184.1882 331.9900       
281.9917 148.0199       243.2451 35.69995 13.58161 29.11095 12.09174 6.588995 
18.18435 
1 1 1 23  25  19 o 50.96824 7.878315  595.2618       132.7297 796.3212       
317.4546 552.6682       146.1140 52.58839 14.09020 49.34809 7.052492 3.240299 
15.75663 
1 1 1 23  25  20 o 31.23047 8.382957  124.1809       118.3214 505.0097       
301.3466 54.76809       128.6534 41.24491 14.26959 21.21604 8.801975 20.02887 
16.76591 
1 1 1 23  25  21 o 24.71878 7.579268  80.02888       124.8991 -213.7733      
349.8965 122.9320       133.7078 24.99015 11.94149 24.44742 9.337132 0.5427341 
15.15854 
1 1 1 23  25  22 o 33.94247 9.131091  199.8497       127.6547 598.8441       
364.7613 144.1613       136.2723 42.40795 15.59517 25.47700 9.502522 16.93095 
18.26218 
1 1 1 23  25  23 o 19.27746 6.589378  -127.7063      118.6753 -169.3587      
285.5361 -119.0087      130.4788 22.90496 10.89884 15.64995 7.409107 7.255014 
13.17876 
1 1 1 23  25  24 o 26.78703 7.416915  152.4730       111.5398 205.1622       
211.1923 132.0907       131.3538 29.10524 11.57178 24.46882 9.280972 4.636412 
14.83383 
1 1 1 23  25  25 o 26.94684 11.86411  109.3170       259.8777 0.000000       
0.000000 109.3170       259.8777 ?        ?        26.94684 11.86411 ? ? 
1 1 1 23  25  26 o 24.00487 7.182291  53.41503       116.3462 233.7709       
214.3138 -21.95009      138.5384 29.53866 11.68437 18.47108 8.355636 11.06757 
14.36458 
1 1 1 23  25  27 o 31.57132 8.189967  250.2422       131.7269 447.0591       
248.1180 172.9946       155.4424 36.89350 12.93041 26.24915 10.05518 10.64435 
16.37993 
1 1 1 23  25  28 o 24.74542 7.085986  137.5419       125.1959 -101.6272      
247.8920 219.4343       145.0546 21.34492 10.15581 28.14593 9.884545 -6.801014 
14.17197 
1 1 1 23  25  29 o 50.35216 7.450872  751.3025       133.2774 702.6603       
271.2726 766.7797       153.0187 44.07383 13.44024 56.63049 6.435987 -12.55666 
14.90174 
1 1 1 23  25  30 o 17.71273 6.130376  -137.8690      120.1685 -57.82423      
249.7812 -161.9749      137.0741 20.98908 10.04390 14.43637 7.031788 6.552711 
12.26075 
1 1 1 23  25  31 o 18.71580 6.140597  1.922927       103.5660 -10.68828      
209.1749 6.018423       119.2022 20.24575 9.515937 17.18585 7.763678 3.059893 
12.28119 
1 1 1 23  26  0  o 23.01938 6.516921  101.4112       97.86387 143.5672       
126.5079 38.59075       154.4326 24.73697 9.169801 21.30179 9.262600 3.435179 
13.03384 
1 1 1 23  26  1  o 32.74699 7.837276  296.4285       129.4092 333.1793       
176.9690 254.1909       189.7201 34.71751 10.91049 30.77646 11.25401 3.941051 
15.67455 
1 1 1 23  26  2  o 20.26421 6.412794  -25.62731      109.4364 63.23495       
177.4635 -80.15646      139.0160 23.37972 10.04332 17.14870 7.976683 6.231024 
12.82559 
1 1 1 23  26  3  o 26.62165 7.461422  127.1300       128.4876 250.2848       
191.7455 26.76244       173.0996 31.05705 11.31809 22.18626 9.725846 8.870792 
14.92284 
1 1 1 23  26  4  o 43.89909 7.279159  510.8469       140.2414 318.0702       
203.0481 686.6959       193.9285 34.27014 11.72509 53.52804 8.629416 -19.25790 
14.55832 
1 1 1 23  26  5  o 23.24059 7.472399  -51.28207      152.2824 75.88590       
255.2206 -121.5845      189.7632 26.95797 11.81370 19.52321 9.153329 7.434763 
14.94480 
1 1 1 23  26  6  o 28.59495 8.171278  118.5722       167.1286 -89.91746      
240.0849 314.5924       232.7946 22.78694 10.55432 34.40296 12.47740 -11.61601 
16.34256 
1 1 1 23  26  7  o 47.14523 8.683350  591.0274       171.8918 511.2845       
223.4445 706.6346       269.0393 43.56704 11.88819 50.72342 12.65990 -7.156380 
17.36670 
1 1 1 23  26  8  o 37.45189 8.263609  367.4808       141.8708 401.3331       
224.3274 344.9159       183.1490 38.48677 12.30697 36.41701 11.03120 2.069767 
16.52722 
1 1 1 23  26  9  o 28.00833 7.965411  150.0410       141.4113 159.2395       
223.7151 143.9201       182.4937 28.86029 11.73925 27.15637 10.76945 1.703924 
15.93082 
1 1 1 23  26  10 o 24.77539 7.623751  39.12809       147.2875 13.88796       
197.3902 70.83457       221.2351 23.46847 10.33622 26.08232 11.20932 -2.613850 
15.24750 
1 1 1 23  26  11 o 28.06988 8.287875  112.2428       166.9766 12.12658       
238.1296 209.0825       234.2006 25.22747 11.20089 30.91228 12.21866 -5.684811 
16.57575 
1 1 1 23  26  12 o 35.19500 9.072145  318.6169       174.3572 356.6818       
253.1565 284.2664       240.4877 36.61378 13.03800 33.77621 12.61847 2.837566 
18.14429 
1 1 1 23  26  13 o 31.28268 8.868695  209.9495       177.0638 204.3699       
248.0735 215.7440       252.8055 31.04843 12.46835 31.51693 12.61567 
-0.4685040     17.73739 
1 1 1 23  26  14 o 36.44777 8.211120  267.4365       184.5983 667.5026       
258.5167 -148.7787      263.6828 49.89285 12.38391 23.00269 10.78558 26.89016 
16.42224 
1 1 1 23  26  15 o 32.26779 9.112847  234.8761       186.0227 212.8168       
255.4111 259.7974       271.4746 31.37841 12.63043 33.15718 13.13956 -1.778770 
18.22569 
1 1 1 23  26  16 o 24.93833 8.062379  -52.18851      186.6749 -89.44179      
246.3071 -1.909654      286.1458 23.25655 10.74055 26.62012 12.02698 -3.363565 
16.12476 
1 1 1 23  26  17 o 25.68855 7.812682  76.65816       125.7478 99.91383       
288.1746 71.18861       139.7552 28.86659 12.60236 22.51052 9.237553 6.356073 
15.62536 
1 1 1 23  26  18 o 20.51745 6.892547  -95.78352      124.8812 -186.4180      
299.0833 -76.64517      137.4351 23.66866 11.21105 17.36624 8.021292 6.302420 
13.78509 
1 1 1 23  26  19 o 28.95173 8.252766  107.5918       122.3942 379.1443       
293.7805 50.55914       134.6350 36.60513 13.88111 21.29832 8.930133 15.30681 
16.50553 
1 1 1 23  26  20 o 26.23244 7.780597  114.9448       118.7702 86.46822       
296.8066 120.3740       129.5988 28.32749 12.55021 24.13739 9.200158 4.190104 
15.56119 
1 1 1 23  26  21 o 38.01641 8.209071  394.0568       131.3164 384.1173       
285.2678 396.7293       147.9205 36.23046 13.69625 39.80237 9.053627 -3.571907 
16.41814 
1 1 1 23  26  22 o 25.49267 7.682170  87.75726       117.8613 174.3458       
271.2393 67.60250       130.8613 29.40509 12.51667 21.58024 8.910440 7.824848 
15.36434 
1 1 1 23  26  23 o 37.24134 7.215303  300.1140       111.2976 602.0884       
212.6906 186.2454       130.6066 47.13216 10.94839 27.35052 9.400804 19.78163 
14.43061 
1 1 1 23  26  24 o 25.27560 6.816772  141.5798       111.4801 -68.26974      
210.9818 222.8618       131.3071 21.22877 9.856114 29.32243 9.419690 -8.093666 
13.63354 
1 1 1 23  26  25 f 48.25517 7.051531  584.2136       131.0085 738.2044       
233.3536 513.3386       158.3120 51.49151 11.11073 45.01883 8.686079 6.472687 
14.10306 
1 1 1 23  26  26 o 35.85717 7.841141  354.4717       121.6069 435.7025       
227.1932 321.8540       143.9664 37.23000 12.40265 34.48434 9.597302 2.745667 
15.68228 
1 1 1 23  26  27 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  26  28 o 18.60451 6.287240  -234.5705      117.7612 140.0730       
221.8760 -381.4952      138.9468 25.38531 11.07052 11.82371 5.963309 13.56161 
12.57448 
1 1 1 23  26  29 o 14.98158 5.348100  -261.0349      108.9369 -303.4402      
245.6822 -250.6573      121.5378 17.87998 8.843163 12.08318 6.017239 5.796797 
10.69620 
1 1 1 23  26  30 o 18.30255 6.259653  -75.46660      115.9414 -32.60628      
253.4915 -86.80459      130.3778 21.20442 10.14005 15.40068 7.342499 5.803746 
12.51931 
1 1 1 23  27  0  o 16.17121 5.413179  -105.3663      97.00826 -130.1689      
133.8161 -77.89417      140.8335 15.35496 7.348699 16.98746 7.950262 -1.632495 
10.82636 
1 1 1 23  27  1  o 27.34580 7.275517  157.1012       127.7378 328.0428       
180.1259 -15.83832      181.1756 33.84634 11.04346 20.84526 9.474948 13.00107 
14.55103 
1 1 1 23  27  2  o 36.62659 7.192673  356.5233       117.1852 478.0630       
175.4117 258.5579       157.4839 42.32244 10.01551 30.93075 10.32607 11.39170 
14.38535 
1 1 1 23  27  3  o 27.96995 7.653002  169.0573       129.2025 291.9031       
202.4900 84.69720       167.8000 32.36561 11.64696 23.57429 9.930868 8.791319 
15.30600 
1 1 1 23  27  4  o 22.48441 7.078075  -6.113775      134.6068 103.5447       
207.6507 -85.59027      176.7794 25.66463 10.93889 19.30419 8.985398 6.360441 
14.15615 
1 1 1 23  27  5  o 28.36071 7.287469  185.0336       125.6782 15.18078       
194.3005 307.2153       164.7938 22.75595 10.10885 33.96546 10.49952 -11.20951 
14.57494 
1 1 1 23  27  6  o 30.16902 7.627984  118.1481       156.2903 -220.5732      
217.5889 479.1628       224.6352 19.13989 9.210713 41.19814 12.16171 -22.05824 
15.25597 
1 1 1 23  27  7  o 26.21611 7.986463  89.47807       159.5250 107.8336       
217.3239 68.03241       234.9054 26.48522 11.23635 25.94700 11.35248 0.5382214 
15.97293 
1 1 1 23  27  8  o 42.50735 8.127461  452.9719       146.1243 667.1579       
245.3671 335.2614       181.8981 49.50410 11.92897 35.51060 11.04184 13.99349 
16.25492 
1 1 1 23  27  9  o 29.56433 8.173605  195.1918       142.7360 228.1357       
237.6518 176.6019       178.5221 31.07241 12.30000 28.05626 10.76760 3.016157 
16.34721 
1 1 1 23  27  10 o 40.19900 8.839747  451.0639       165.0784 429.8883       
240.8911 469.8130       226.6698 39.11740 12.77107 41.28059 12.22556 -2.163193 
17.67949 
1 1 1 23  27  11 o 65.72759 6.725895  1049.179       185.0924 1139.594       
264.0472 961.8293       259.5315 68.85996 9.133471 62.59523 9.875746 6.264736 
13.45179 
1 1 1 23  27  12 o 33.91593 9.138120  278.4461       174.1105 211.9798       
216.3584 400.5868       293.2938 30.30045 11.80489 37.53140 13.95225 -7.230949 
18.27624 
1 1 1 23  27  13 o 28.28006 8.510880  84.28360       171.6599 -17.68018      
212.8239 274.1238       290.3966 23.14218 10.41840 33.41793 13.46095 -10.27575 
17.02176 
1 1 1 23  27  14 o 33.93562 9.574595  287.8431       206.2963 229.7565       
284.8008 351.9637       299.2277 32.01541 13.17068 35.85582 13.90053 -3.840412 
19.14919 
1 1 1 23  27  15 o 38.98635 7.194833  477.3183       132.0317 20.81776       
319.2417 571.5135       145.0152 27.83801 12.63311 50.13469 6.889635 -22.29668 
14.38967 
1 1 1 23  27  16 o 29.63754 8.225327  119.0782       121.4939 414.8393       
285.4216 53.63064       134.2650 37.87617 13.80820 21.39891 8.941909 16.47726 
16.45065 
1 1 1 23  27  17 o 22.37291 7.087332  21.48266       117.5318 -168.7913      
292.5843 58.09398       128.3420 23.50042 11.11115 21.24539 8.801325 2.255022 
14.17466 
1 1 1 23  27  18 o 24.35285 7.755809  13.98496       132.8092 95.91228       
306.8406 -4.901513      147.3241 28.73923 12.74306 19.96646 8.844476 8.772772 
15.51162 
1 1 1 23  27  19 o 32.40438 8.706855  174.0355       123.5491 537.1909       
324.1024 112.2905       133.6402 41.02252 14.73775 23.78625 9.275560 17.23627 
17.41371 
1 1 1 23  27  20 o 26.93591 7.419104  160.8067       110.5829 121.3548       
236.9014 171.7978       125.0416 27.22354 11.64613 26.64827 9.194571 0.5752697 
14.83821 
1 1 1 23  27  21 o 24.83695 7.097741  116.2472       106.0085 133.3384       
200.9715 109.6587       124.7793 26.48066 10.99455 23.19324 8.979512 3.287420 
14.19548 
1 1 1 23  27  22 o 36.30335 7.618626  334.5263       118.6077 465.8687       
209.3866 272.4709       143.9250 40.43768 11.67958 32.16903 9.785763 8.268646 
15.23725 
1 1 1 23  27  23 o 25.31713 7.263826  113.2656       109.1650 214.9956       
208.9193 75.05870       128.0339 29.10649 11.52913 21.52776 8.839223 7.578739 
14.52765 
1 1 1 23  27  24 o 18.51078 6.190019  -140.2987      110.8727 35.89684       
207.5586 -210.6489      131.1523 23.28386 10.39131 13.73771 6.729487 9.546149 
12.38004 
1 1 1 23  27  25 f 23.29990 6.911888  -22.51324      107.4151 304.1270       
213.8183 -132.7749      124.2288 31.96246 11.90670 14.63734 7.023342 17.32511 
13.82378 
1 1 1 23  27  26 o 22.07745 6.887314  32.33310       106.3700 156.1069       
220.1771 -5.350414      121.4880 26.40418 11.25935 17.75071 7.935198 8.653471 
13.77463 
1 1 1 23  27  27 o 21.47762 6.832903  22.34043       109.5647 129.5747       
226.0004 -10.60621      125.2703 25.31321 11.10473 17.64203 7.964877 7.671181 
13.66581 
1 1 1 23  27  28 o 18.51754 5.932689  -28.57591      109.4954 -392.6584      
226.4370 82.53854       125.0929 16.28288 8.123205 20.75220 8.648742 -4.469328 
11.86538 
1 1 1 23  27  29 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 23  27  30 o 20.97213 6.639387  72.83436       107.6032 58.10107       
230.2637 76.95059       121.7098 22.09126 10.27198 19.85299 8.415009 2.238276 
13.27877 
1 1 1 23  28  0  o 21.70044 6.494166  72.05223       104.6387 136.0045       
147.7694 7.731360       148.1945 23.99373 9.628131 19.40714 8.717560 4.586584 
12.98833 
1 1 1 23  28  1  o 27.15784 7.542191  162.4824       132.5545 328.7873       
201.0632 34.63274       176.2908 32.68695 11.62141 21.62873 9.616730 11.05822 
15.08438 
1 1 1 23  28  2  o 30.64655 7.759976  270.6870       130.9622 190.1262       
205.0618 326.1790       170.1915 27.56061 11.22960 33.73250 10.71284 -6.171886 
15.51995 
1 1 1 23  28  3  o 28.31354 7.503455  137.4955       127.3536 410.2642       
214.1943 -11.66081      158.3914 36.79604 12.04262 19.83103 8.954483 16.96501 
15.00691 
1 1 1 23  28  4  o 29.56314 7.691984  223.1587       131.0511 329.6827       
187.5012 121.4205       183.2409 33.97195 11.26727 25.15433 10.47449 8.817623 
15.38397 
1 1 1 23  28  5  o 27.03952 7.622259  168.1147       130.3446 154.7348       
188.0170 180.4957       180.8613 26.60934 10.78456 27.46970 10.77444 
-0.8603573     15.24452 
1 1 1 23  28  6  o 16.55794 5.572539  -143.4781      107.4313 -83.59343      
144.8133 -216.7762      160.2127 17.38634 8.108087 15.72955 7.646678 1.656790 
11.14508 
1 1 1 23  28  7  o 22.23274 6.754563  33.14750       116.8222 119.9592       
169.0726 -46.16337      161.6034 25.05245 10.20035 19.41302 8.857166 5.639423 
13.50913 
1 1 1 23  28  8  o 42.78752 7.359992  532.3504       145.9668 247.6311       
236.4729 707.6111       185.5304 31.10166 12.28276 54.47339 8.112446 -23.37173 
14.71998 
1 1 1 23  28  9  o 53.40451 6.855868  729.5942       147.5826 599.3035       
216.2001 843.2803       201.9541 47.22183 11.08344 59.58718 8.072737 -12.36536 
13.71174 
1 1 1 23  28  10 o 21.67023 7.129293  -96.78761      158.4085 -181.2068      
232.0652 -23.13403      216.7636 20.48042 9.771843 22.86004 10.38356 -2.379625 
14.25859 
1 1 1 23  28  11 o 27.00064 7.863799  38.64296       174.8315 -360.3468      
271.7460 320.4266       228.3706 19.87841 9.725620 34.12287 12.36000 -14.24446 
15.72760 
1 1 1 23  28  12 o 28.93868 8.851005  126.1314       200.0621 25.35684       
279.9203 231.3605       286.0400 26.34584 11.89966 31.53151 13.10570 -5.185669 
17.70201 
1 1 1 23  28  13 o 34.12701 7.928847  326.9305       126.5262 164.9759       
311.8462 358.8450       138.4325 30.28159 13.16473 37.97243 8.840611 -7.690840 
15.85769 
1 1 1 23  28  14 o 18.87198 6.556211  -255.6835      126.9922 -69.16958      
276.8441 -305.3881      142.9152 24.39993 11.31372 13.34403 6.628376 11.05591 
13.11242 
1 1 1 23  28  15 o 40.58470 8.652871  295.6945       141.2207 897.3353       
324.4384 155.0579       156.8602 54.74372 14.04747 26.42568 10.10728 28.31805 
17.30574 
1 1 1 23  28  16 o 33.57203 8.588508  271.6982       129.7724 386.8730       
308.7755 246.9898       143.0166 36.10923 14.09542 31.03483 9.816768 5.074394 
17.17702 
1 1 1 23  28  17 o 41.84435 7.934891  497.9994       137.4299 396.8842       
288.9197 527.5679       156.2370 36.42126 13.77915 47.26745 7.873048 -10.84619 
15.86978 
1 1 1 23  28  18 o 29.92932 7.701044  230.0375       118.8528 162.9765       
253.4744 248.9370       134.5624 28.70858 12.15501 31.15005 9.459394 -2.441475 
15.40209 
1 1 1 23  28  19 o 33.40791 7.549647  299.7363       117.3868 298.6666       
197.5877 300.3197       145.9324 32.92879 11.53906 33.88702 9.738523 
-0.9582329     15.09929 
1 1 1 23  28  20 o 22.94306 7.059528  56.84859       118.3984 16.19428       
227.9353 71.87113       138.5575 23.91485 10.77322 21.97128 9.126083 1.943565 
14.11906 
1 1 1 23  28  21 o 23.73316 6.713395  -43.02079      105.7814 324.1907       
200.2935 -185.0638      124.5715 33.71656 11.63656 13.74976 6.698437 19.96680 
13.42679 
1 1 1 23  28  22 o 29.44241 7.493378  214.2421       108.8406 285.9615       
207.5238 187.0283       127.8332 31.75564 11.74992 27.12918 9.302807 4.626461 
14.98676 
1 1 1 23  28  23 o 25.54234 7.254633  106.9448       108.4072 273.7881       
208.8443 45.40910       126.8329 30.99237 11.71807 20.09231 8.556031 10.90005 
14.50927 
1 1 1 23  28  24 o 17.97720 6.064187  -183.9727      105.8363 67.01618       
205.7735 -274.2514      123.4113 23.80480 10.51042 12.14961 6.052145 11.65519 
12.12837 
1 1 1 23  28  25 o 22.23771 6.877874  63.64322       114.5115 47.05370       
214.0411 70.29556       135.5401 23.27583 10.46504 21.19960 8.927684 2.076221 
13.75575 
1 1 1 23  28  26 f 19.81615 6.493635  -55.67598      107.3231 115.1578       
217.0715 -110.9459      123.4697 24.76589 10.87377 14.86641 7.101434 9.899483 
12.98727 
1 1 1 23  28  27 o 25.36975 7.381076  127.6708       108.7235 319.0674       
227.6730 71.12929       123.7451 30.46415 12.04539 20.27534 8.534037 10.18881 
14.76215 
1 1 1 23  28  28 f 18.94818 6.119343  9.685629       102.0062 12.20096       
183.6686 8.563727       122.6633 20.26513 9.326296 17.63124 7.925000 2.633892 
12.23869 
1 1 1 23  28  29 o 21.15166 6.710696  72.29441       112.5379 68.33501       
228.5459 73.56170       129.2998 22.31775 10.32189 19.98557 8.578599 2.332178 
13.42139 
1 1 1 23  29  0  o 16.81191 5.536484  -82.21770      101.5828 40.62180       
136.9986 -232.2366      151.3979 19.39726 8.568682 14.22656 7.013439 5.170693 
11.07297 
1 1 1 23  29  1  o 29.41018 6.732312  249.9590       108.5489 377.3576       
145.7730 91.39395       162.6292 36.51299 9.441741 22.30738 9.599459 14.20561 
13.46462 
1 1 1 23  29  2  o 29.91092 6.806476  252.2739       113.3403 391.7971       
150.4600 69.23826       172.3319 37.57437 9.521705 22.24747 9.728804 15.32690 
13.61295 
1 1 1 23  29  3  o 36.72718 6.882422  373.8942       109.0384 435.9735       
155.1487 313.3049       153.2754 40.22190 9.355811 33.23245 10.09652 6.989452 
13.76484 
1 1 1 23  29  4  o 27.57357 7.198167  201.9324       110.2959 192.9472       
159.5447 210.1575       152.6477 27.16870 10.25094 27.97845 10.10805 
-0.8097458     14.39633 
1 1 1 23  29  5  o 22.00747 6.710555  44.04984       118.1171 128.4975       
158.5616 -61.23812      177.0490 24.52204 9.918122 19.49290 9.041961 5.029137 
13.42111 
1 1 1 23  29  6  o 27.41262 7.250103  183.5555       112.9632 129.9924       
150.4808 252.7091       170.9843 24.51079 9.760739 30.31445 10.72306 -5.803656 
14.50021 
1 1 1 23  29  7  o 35.70817 7.148993  351.8345       119.0041 469.9648       
164.1580 220.9902       172.7661 42.43120 9.459303 28.98513 10.72166 13.44607 
14.29799 
1 1 1 23  29  8  o 31.38950 6.289203  275.4607       108.4264 -6.470175      
187.1553 417.8906       133.0244 21.54885 9.731709 41.23016 7.969325 -19.68131 
12.57841 
1 1 1 23  29  9  o 23.99266 6.572678  38.17422       94.45638 287.2359       
178.0712 -59.34180      111.4238 32.33165 10.98029 15.65366 7.227287 16.67799 
13.14536 
1 1 1 23  29  10 f 28.83294 8.122284  169.4208       118.1682 299.5027       
289.6418 143.4454       129.4297 32.70771 13.33960 24.95816 9.270434 7.749550 
16.24457 
1 1 1 23  29  11 o 21.63272 7.054389  -8.975905      118.6944 -94.86828      
294.4432 7.689955       129.6995 24.14841 11.33619 19.11703 8.399309 5.031374 
14.10878 
1 1 1 23  29  12 o 34.96463 7.629126  372.6075       134.1380 101.5878       
297.0005 442.0566       150.3454 27.96069 12.45568 41.96857 8.813069 -14.00788 
15.25825 
1 1 1 23  29  13 o 33.31621 8.281723  264.6977       124.4897 429.2160       
266.9426 218.9728       140.7302 37.40620 13.38146 29.22623 9.761365 8.179970 
16.56345 
1 1 1 23  29  14 o 41.41315 8.471051  429.0075       127.3810 616.0739       
314.2290 392.2220       139.3437 43.21139 14.58613 39.61490 8.618564 3.596489 
16.94210 
1 1 1 23  29  15 o 26.61199 7.805685  140.9030       129.3712 86.71567       
283.4524 155.1610       145.3987 27.29967 12.16455 25.92431 9.784613 1.375360 
15.61137 
1 1 1 23  29  16 o 34.59865 7.700714  275.3528       118.9556 508.6346       
220.8489 180.0127       141.1864 42.11714 11.94081 27.08016 9.727332 15.03698 
15.40143 
1 1 1 23  29  17 o 33.29946 7.495632  327.5126       129.1148 106.4282       
259.5651 400.2023       148.8346 27.04732 11.88291 39.55160 9.139721 -12.50428 
14.99126 
1 1 1 23  29  18 o 70.02074 5.570526  1146.742       144.0501 1230.299       
280.1836 1116.720       167.9466 69.63932 9.583170 70.40217 5.682066 
-0.7628479     11.14105 
1 1 1 23  29  19 o 27.15057 7.257377  178.8356       124.2355 -11.76363      
225.9064 261.4720       148.7489 23.02941 10.49770 31.27172 10.02379 -8.242311 
14.51475 
1 1 1 23  29  20 o 23.37415 6.674531  104.4740       104.7949 -31.82936      
198.3307 157.2682       123.4326 21.34735 9.768437 25.40095 9.098080 -4.053595 
13.34906 
1 1 1 23  29  21 o 25.01079 7.375831  121.5253       118.5400 121.9997       
232.1196 121.3579       137.8744 26.24904 11.38390 23.77253 9.381807 2.476517 
14.75166 
1 1 1 23  29  22 o 27.46164 7.348640  186.4408       107.8474 222.3664       
206.0326 172.8823       126.5729 28.83645 11.44067 26.08683 9.226114 2.749620 
14.69728 
1 1 1 23  29  23 o 28.86236 7.655474  209.2988       118.9873 320.4957       
210.5973 157.1573       144.2110 32.42603 11.85707 25.29870 9.686844 7.127329 
15.31095 
1 1 1 23  29  24 o 22.71103 6.935470  56.79386       104.2478 186.0808       
213.1652 16.15270       119.5149 27.08477 11.28910 18.33729 8.059722 8.747480 
13.87094 
1 1 1 23  29  25 o 21.09598 6.684377  37.53957       115.7658 -7.098394      
217.2490 55.24096       136.8073 21.77420 10.06784 20.41776 8.795573 1.356436 
13.36875 
1 1 1 23  29  26 o 18.29521 6.147790  -68.37826      107.0101 -5.886067      
218.5430 -88.08661      122.7296 21.42575 9.979725 15.16467 7.182365 6.261083 
12.29558 
1 1 1 23  29  27 o 17.49969 5.959266  -87.12935      108.0497 -54.26994      
219.4902 -97.63927      124.1324 20.12395 9.566077 14.87543 7.109260 5.248513 
11.91853 
1 1 1 23  29  28 o 17.15770 5.889203  -109.2613      119.9221 -295.9232      
259.4302 -58.53759      135.2379 18.03196 8.953380 16.28344 7.652962 1.748520 
11.77841 
1 1 1 23  30  0  o 14.97672 5.132129  -137.8620      100.0909 -82.16454      
127.2608 -228.1933      162.0676 15.25239 7.266329 14.70107 7.249515 0.5513201 
10.26426 
1 1 1 23  30  1  o 21.69916 6.270135  114.1877       91.06030 134.2073       
124.3946 91.07431       133.6616 22.54857 8.907395 20.84975 8.827043 1.698812 
12.54027 
1 1 1 23  30  2  o 20.09835 6.434623  12.10642       120.0734 105.0024       
167.6648 -85.69931      172.0385 22.43377 9.701401 17.76294 8.455786 4.670839 
12.86925 
1 1 1 23  30  3  o 30.50689 7.295852  283.5499       111.0691 283.0338       
164.0267 283.9869       150.9390 30.26982 10.52243 30.74395 10.10922 
-0.4741325     14.59170 
1 1 1 23  30  4  o 15.60684 5.280035  -108.7220      94.35639 -195.0120      
167.8507 -68.85583      114.0894 16.03331 7.804558 15.18037 7.113647 0.8529406 
10.56007 
1 1 1 23  30  5  o 24.38797 6.809438  132.7374       93.78467 179.8349       
182.8684 115.9289       109.2455 26.42338 10.66602 22.35257 8.468159 4.070810 
13.61888 
1 1 1 23  30  6  o 26.29908 7.303458  151.0603       123.1303 284.9683       
184.5015 43.52760       165.3359 31.09191 11.12464 21.50626 9.465961 9.585644 
14.60692 
1 1 1 23  30  7  o 25.58667 7.022049  149.5478       98.21697 192.2149       
192.9508 134.6261       114.1061 27.44623 11.00681 23.72711 8.722773 3.719114 
14.04410 
1 1 1 23  30  8  o 28.01491 6.931104  186.5263       91.07128 273.6228       
179.3553 156.2689       105.7134 31.01213 10.98114 25.01768 8.460224 5.994455 
13.86221 
1 1 1 23  30  9  o 23.81108 6.859413  102.9498       90.99039 158.2896       
203.4059 89.10554       101.7372 26.66599 11.06556 20.95618 8.109230 5.709805 
13.71883 
1 1 1 23  30  10 o 24.45752 7.029398  100.6562       110.6051 212.4638       
184.8842 38.33814       138.0292 28.50164 10.95221 20.41339 8.814691 8.088255 
14.05880 
1 1 1 23  30  11 o 25.26043 6.254616  129.8231       107.7020 -198.7933      
191.4922 281.8743       130.2571 17.71404 8.552939 32.80681 9.128425 -15.09276 
12.50923 
1 1 1 23  30  12 o 32.68966 8.195195  258.0669       124.6914 451.5435       
255.9046 197.8305       142.7887 37.65703 13.13804 27.72228 9.799834 9.934748 
16.39039 
1 1 1 23  30  13 o 31.50933 7.551669  288.0179       128.0922 117.2504       
243.4017 353.4263       150.6392 26.57976 11.59323 36.43889 9.680284 -9.859125 
15.10334 
1 1 1 23  30  14 o 24.18513 6.808837  107.9614       115.9581 -95.14291      
204.5199 204.1841       140.7715 20.28004 9.507158 28.09022 9.749616 -7.810181 
13.61767 
1 1 1 23  30  15 o 20.05292 6.462507  -28.46815      107.8667 34.40741       
203.8757 -52.91082      127.1156 23.20079 10.32798 16.90505 7.771022 6.295742 
12.92501 
1 1 1 23  30  16 o 28.02827 7.729550  179.1530       114.4916 253.0805       
246.1926 158.7527       129.3275 30.51353 12.35150 25.54301 9.296461 4.970524 
15.45910 
1 1 1 23  30  17 o 21.73675 7.004344  1.802736       123.4019 -2.913184      
255.6294 3.235626       140.9076 24.07395 11.04699 19.39954 8.614372 4.674412 
14.00869 
1 1 1 23  30  18 o 26.34248 7.504323  110.1008       115.7999 312.7972       
226.1156 38.03883       134.8220 32.46022 12.21404 20.22474 8.722189 12.23548 
15.00865 
1 1 1 23  30  19 o 21.61762 6.819750  27.93691       118.2362 -2.253952      
220.5436 40.11424       140.0660 22.72727 10.36330 20.50798 8.867810 2.219286 
13.63950 
1 1 1 23  30  20 o 29.07290 7.259923  235.2207       112.3960 162.6580       
198.8251 269.2997       136.2566 26.56509 10.97681 31.58071 9.504504 -5.015623 
14.51985 
1 1 1 23  30  21 o 33.87080 7.434503  273.7298       107.8713 498.7490       
209.3753 192.4184       125.8610 40.68097 11.65635 27.06063 9.231292 13.62034 
14.86901 
1 1 1 23  30  22 o 25.46795 7.476778  99.84979       111.3520 308.2863       
238.1839 41.55235       125.9652 31.30284 12.33822 19.63307 8.448497 11.66977 
14.95356 
1 1 1 23  30  23 o 54.14951 6.616059  764.2097       128.7794 815.9749       
246.8584 744.8547       150.9466 52.15077 11.57955 56.14824 6.403365 -3.997475 
13.23212 
1 1 1 23  30  24 o 19.95671 6.413073  12.69841       105.1327 17.46818       
209.2217 11.08721       121.5996 21.87947 10.02075 18.03396 8.005911 3.845509 
12.82615 
1 1 1 23  30  25 o 25.77810 7.373857  180.4589       115.8338 227.4838       
216.2719 161.5431       137.1665 27.13721 11.34485 24.41900 9.422819 2.718203 
14.74771 
1 1 1 23  30  26 o 22.79061 7.078426  108.3738       118.2060 121.4598       
243.6418 104.3453       135.1817 24.02320 10.93761 21.55801 8.988050 2.465189 
14.15685 
1 1 1 23  30  27 o 18.19088 6.229918  -86.49654      126.4876 -165.3180      
272.8033 -64.91115      142.7603 19.84584 9.717821 16.53593 7.798172 3.309914 
12.45984 
1 1 1 23  31  2  o 27.68076 7.138794  228.1788       103.1453 334.6986       
179.0042 175.2315       126.2031 30.87448 10.96655 24.48704 9.142442 6.387440 
14.27759 
1 1 1 23  31  3  o 27.71002 6.926726  223.4722       96.14757 312.2072       
167.7078 180.0278       117.3472 30.45897 10.63489 24.96107 8.877906 5.497898 
13.85345 
1 1 1 23  31  4  o 17.24213 5.663836  -28.64792      94.87883 -68.55629      
169.1405 -10.32468      114.6085 17.90528 8.457413 16.57898 7.535801 1.326298 
11.32767 
1 1 1 23  31  5  o 26.05373 6.625133  199.8763       99.03277 87.82867       
178.9630 249.3313       118.8961 22.37565 9.848480 29.73182 8.864365 -7.356161 
13.25027 
1 1 1 23  31  6  o 32.19740 6.706228  314.3193       103.9194 195.7925       
170.1922 384.7801       131.2216 26.38491 10.42012 38.00990 8.444825 -11.62498 
13.41246 
1 1 1 23  31  7  o 21.40955 6.583875  40.49126       100.5862 159.3834       
187.9343 -7.239660      119.0774 25.47346 10.60761 17.34563 7.801807 8.127832 
13.16775 
1 1 1 23  31  8  o 19.32300 6.073878  13.81574       99.73592 -139.9327      
191.3542 71.16191       116.8651 18.29386 8.763021 20.35213 8.412931 -2.058273 
12.14776 
1 1 1 23  31  9  o 20.62053 6.258507  -40.21730      93.87720 214.7651       
177.2883 -139.5683      110.6652 27.88687 10.72267 13.35418 6.457551 14.53270 
12.51701 
1 1 1 23  31  10 o 29.46098 7.510511  244.4603       117.4833 247.2388       
189.1983 242.7167       149.8802 29.39998 11.14234 29.52197 10.07370 
-0.1219864     15.02102 
1 1 1 23  31  11 o 24.26810 7.063647  124.0744       115.7849 85.53386       
187.8458 147.6888       147.0384 23.64470 10.24744 24.89151 9.724733 -1.246815 
14.12729 
1 1 1 23  31  12 o 21.92517 6.839962  41.72312       119.3355 67.79726       
194.5715 26.00058       151.0900 23.40210 10.28477 20.44824 9.020191 2.953856 
13.67992 
1 1 1 23  31  13 o 27.92481 7.140508  213.4684       121.8185 -13.60886      
233.7646 298.1230       142.7305 22.80084 10.50470 33.04878 9.674636 -10.24794 
14.28102 
1 1 1 23  31  14 o 17.23810 5.950378  -178.5867      117.9961 -181.6561      
234.2051 -177.5425      136.5994 19.86245 9.557817 14.61375 7.090565 5.248700 
11.90076 
1 1 1 23  31  15 o 23.43248 6.610162  53.73725       128.6891 -465.9894      
249.1212 242.9030       150.2950 17.13641 8.544979 29.72855 10.08763 -12.59214 
13.22032 
1 1 1 23  31  16 o 19.24593 6.455835  -95.06748      124.2317 -78.05018      
241.0831 -101.2200      144.9602 21.79705 10.23695 16.69480 7.868680 5.102245 
12.91167 
1 1 1 23  31  17 o 41.82309 7.694445  474.7220       129.1548 596.6112       
231.1340 419.3839       155.7376 44.17389 12.10756 39.47229 9.498681 4.701599 
15.38889 
1 1 1 23  31  18 o 27.89857 7.188401  214.8647       123.2877 6.238097       
228.2849 300.7693       146.4875 22.89069 10.47697 32.90646 9.845080 -10.01576 
14.37680 
1 1 1 23  31  19 o 20.14871 6.428388  7.362160       111.8156 -43.69802      
195.8497 32.05398       136.1941 20.49382 9.507658 19.80361 8.654545 0.6902065 
12.85678 
1 1 1 23  31  20 o 28.96233 7.313348  83.87830       112.6728 555.8307       
233.7225 -59.01126      128.6032 41.39174 12.44619 16.53293 7.683266 24.85881 
14.62670 
1 1 1 23  31  21 o 20.56738 6.517051  27.12183       112.6959 -26.15744      
200.8727 51.59484       136.1399 20.83484 9.651634 20.29992 8.759783 0.5349216 
13.03410 
1 1 1 23  31  22 o 29.23608 7.511784  241.3568       109.9639 305.7634       
214.8742 218.5036       127.9946 30.53947 11.79179 27.93270 9.309209 2.606768 
15.02357 
1 1 1 23  31  23 o 15.03548 5.202102  -200.6541      109.7897 -497.2545      
212.0884 -92.07826      128.3210 14.65876 7.392951 15.41221 7.320638 
-0.7534523     10.40420 
1 1 1 23  31  24 o 20.64498 6.978642  -71.38802      128.0349 185.9238       
286.3951 -135.6596      143.1348 26.00242 11.84403 15.28754 7.384082 10.71488 
13.95728 
1 1 1 23  31  25 o 27.67227 8.195805  235.0416       138.0443 406.3293       
301.2307 189.5069       155.3129 30.18090 13.02697 25.16363 9.949016 5.017271 
16.39161 
1 1 1 23  31  26 o 26.75349 8.134167  173.3313       135.6595 507.4009       
298.5717 86.42271       152.2866 32.45432 13.43325 21.05267 9.176405 11.40166 
16.26833 
1 1 1 23  32  5  o 22.85404 6.659354  97.61842       100.2214 269.0747       
175.8676 15.15928       121.9631 28.08743 10.71397 17.62064 7.911934 10.46679 
13.31871 
1 1 1 23  32  6  o 24.20903 6.791194  159.7486       99.95602 214.5932       
163.5154 127.0267       126.3022 26.15888 10.24792 22.25918 8.914114 3.899700 
13.58239 
1 1 1 23  32  7  f 28.67686 7.327971  251.5721       105.7028 286.8395       
212.0164 239.9063       121.9382 28.64995 11.51775 28.70376 9.063008 
-0.5381584E-01 14.65594 
1 1 1 23  32  8  o 29.22050 7.678916  217.1818       110.7850 452.5770       
229.0000 145.2564       126.5838 34.95891 12.40520 23.48208 9.053946 11.47683 
15.35783 
1 1 1 23  32  9  o 15.93851 5.299989  -82.36549      93.84980 -451.7018      
207.8547 12.21107       105.1818 14.85809 7.476245 17.01892 7.514338 -2.160833 
10.59998 
1 1 1 23  32  10 o 25.16027 7.154210  160.2495       128.7718 -50.81090      
237.8416 247.7753       153.1624 21.37926 10.07732 28.94129 10.15769 -7.562029 
14.30842 
1 1 1 23  32  11 o 24.13117 7.618273  77.81984       124.0958 232.5160       
292.0934 43.74768       137.0824 28.30554 12.50679 19.95680 8.702437 8.348734 
15.23655 
1 1 1 23  32  12 o 19.85877 6.273066  -18.07983      121.3343 -604.6911      
282.9265 114.1213       134.3124 17.02250 8.584672 22.69505 9.149252 -5.672556 
12.54613 
1 1 1 23  32  13 o 39.13503 8.550460  418.9558       126.3605 680.0687       
314.8976 368.8416       137.9546 41.32643 14.55877 36.94364 8.971271 4.382790 
17.10092 
1 1 1 23  32  14 o 24.35549 7.431682  122.6704       126.4208 -53.24266      
321.4175 154.8653       137.5035 24.00591 11.46497 24.70507 9.459077 
-0.6991615     14.86336 
1 1 1 23  32  15 o 27.59295 7.264015  221.6931       121.1484 36.74144       
249.2921 278.8776       138.6176 23.72197 10.89541 31.46393 9.610085 -7.741961 
14.52803 
1 1 1 23  32  16 o 31.00622 7.807645  262.2213       118.6311 403.4472       
222.2771 205.9715       140.2807 34.73003 12.23204 27.28240 9.706414 7.447632 
15.61529 
1 1 1 23  32  17 o 27.56119 7.256625  221.4222       120.3645 75.00365       
225.3748 279.8491       142.3683 23.83478 10.72620 31.28759 9.776658 -7.452812 
14.51325 
1 1 1 23  32  18 o 17.95427 6.004755  -80.74657      116.1457 -261.5327      
225.5245 -15.48901      135.4961 17.90856 8.788362 17.99999 8.184926 
-0.9143448E-01 12.00951 
1 1 1 23  32  19 o 23.61528 6.889404  57.81214       107.6347 299.2441       
196.4612 -45.73698      128.6627 30.53180 11.40535 16.69877 7.731332 13.83303 
13.77881 
1 1 1 23  32  20 o 22.21605 6.635779  101.3550       104.4907 27.88440       
200.4735 128.7598       122.4372 21.60871 9.860582 22.82339 8.882746 -1.214674 
13.27156 
1 1 1 23  32  21 o 28.09245 7.820123  244.8668       126.0408 251.4287       
274.3509 243.1113       141.9024 27.68907 12.19046 28.49583 9.798467 
-0.8067646     15.64025 
1 1 1 23  32  22 o 22.00100 7.163944  56.55670       127.7245 76.83195       
298.7835 52.02312       141.2844 24.10621 11.34282 19.89579 8.753793 4.210413 
14.32789 
1 1 1 23  32  23 o 25.42569 8.203508  74.36209       154.0793 539.0521       
342.1392 -43.85574      172.5689 32.40601 13.93382 18.44536 8.662504 13.96065 
16.40702 
1 1 1 23  32  24 o 27.03793 7.757635  253.4948       155.9279 17.65810       
282.1690 357.1733       187.0888 22.43776 10.72228 31.63810 11.21412 -9.200333 
15.51527 
1 1 1 23  33  8  o 32.97659 8.345543  258.7568       98.15869 749.8994       
315.3901 206.0805       103.2885 39.01838 14.47561 26.93481 8.309586 12.08357 
16.69109 
1 1 1 23  33  9  o 17.81614 6.208991  -55.19274      90.04179 -61.81300      
305.6991 -54.56384      94.22166 21.87308 10.61106 13.75921 6.450719 8.113873 
12.41798 
1 1 1 23  33  10 o 20.28146 6.779070  -0.9761117     112.4086 95.09443       
283.5471 -18.89022      122.4412 23.87128 11.19135 16.69163 7.653556 7.179646 
13.55814 
1 1 1 23  33  11 o 24.53407 7.366263  157.5206       112.5969 146.0467       
299.6021 159.4077       121.5041 25.10517 11.69017 23.96297 8.965895 1.142202 
14.73253 
1 1 1 23  33  12 f 25.46956 7.642990  171.7947       118.4789 220.6023       
311.7227 163.5535       128.0916 26.68688 12.22629 24.25224 9.174907 2.434643 
15.28598 
1 1 1 23  33  13 o 25.39365 7.363935  187.9959       122.5541 21.88067       
310.1961 218.7214       133.4075 23.59116 11.26597 27.19614 9.486201 -3.604980 
14.72787 
1 1 1 23  33  14 o 21.65466 7.066752  52.90696       123.2930 -75.90482      
337.5002 72.74472       132.4471 22.91146 11.12560 20.39786 8.716480 2.513597 
14.13350 
1 1 1 23  33  15 o 23.68699 7.219481  133.2129       122.9970 29.97937       
281.9591 157.4739       136.6879 23.28394 10.97426 24.09002 9.383456 
-0.8060818     14.43896 
1 1 1 23  33  16 o 23.87092 7.321937  135.4957       122.8711 44.47365       
304.4484 153.2062       134.2939 23.88430 11.31223 23.85754 9.299274 
0.2675438E-01  14.64387 
1 1 1 23  33  17 o 23.78254 7.365008  128.5433       130.3187 124.2431       
262.2346 129.9536       150.1754 24.56116 11.23631 23.00393 9.524635 1.557234 
14.73002 
1 1 1 23  33  18 o 16.88929 5.787010  -128.4372      120.2452 -460.8172      
265.3286 -42.52681      134.8930 16.95171 8.515388 16.82686 7.838756 0.1248512 
11.57402 
1 1 1 23  33  19 o 21.64688 7.047186  14.64885       111.2602 249.7042       
262.0956 -37.01936      122.8815 27.04203 11.91029 16.25172 7.536335 10.79031 
14.09437 
1 1 1 23  33  20 o 22.75431 7.099644  113.8464       126.2726 40.90710       
265.2909 135.2115       143.5802 22.66525 10.67161 22.84337 9.366778 
-0.1781216     14.19929 
1 1 1 23  33  21 o 20.77617 6.870133  24.72223       133.3123 14.20712       
269.7092 28.12178       153.3556 22.19060 10.57485 19.36173 8.773109 2.828871 
13.74027 
1 1 1 23  33  22 o 24.74418 7.603393  167.6489       131.0204 245.1445       
274.7947 144.8484       149.0537 26.36618 11.85587 23.12219 9.522849 3.243996 
15.20679 
1 1 1 23  34  13 o 28.95682 7.308640  275.8192       108.1202 272.3755       
226.7521 276.8325       123.0036 27.31293 11.52688 30.60071 8.988653 -3.287781 
14.61728 
1 1 1 23  34  14 o 16.12405 5.545180  -113.6290      102.1025 -105.1615      
200.1531 -116.6075      118.7097 18.27971 8.805857 13.96840 6.741883 4.311307 
11.09036 
1 1 1 23  34  15 o 25.83240 7.239572  196.4416       106.9894 263.5826       
210.3258 173.0033       124.2685 27.25884 11.27822 24.40596 9.080050 2.852873 
14.47914 
1 1 1 23  34  16 o 16.01390 5.478585  -109.8929      104.9456 -251.8233      
211.5891 -63.58562      120.8593 16.71868 8.253782 15.30911 7.206571 1.409577 
10.95717 
1 1 1 23  34  17 o 22.24086 6.746394  103.8420       103.5419 189.5221       
192.7987 69.11397       122.7451 24.90937 10.57635 19.57235 8.378316 5.337025 
13.49279 
1 1 1 23  34  18 o 26.87078 7.541800  170.2787       110.9459 451.2120       
231.1573 86.19286       126.4642 33.38436 12.39126 20.35720 8.600680 13.02716 
15.08360 
1 1 1 24  -16 0  o 24.82113 7.388277  185.0254       134.3824 232.7704       
171.2500 108.5067       216.7955 26.66744 10.47754 22.97481 10.41959 3.692627 
14.77655 
1 1 1 24  -16 1  o 30.49119 12.18882  376.2903       235.5385 376.2903       
235.5385 0.000000       0.000000 30.49119 12.18882 ?        ?        ? ? 
1 1 1 24  -15 0  o 32.42728 6.847407  321.4597       123.2041 517.3397       
165.6217 78.76616       184.3535 42.62734 9.500229 22.22721 9.863751 20.40013 
13.69481 
1 1 1 24  -15 1  o 18.57832 5.954082  -47.22766      112.1590 107.6459       
146.4186 -267.1514      174.4791 22.10222 9.292047 15.05443 7.447296 7.047794 
11.90816 
1 1 1 24  -15 2  o 24.74319 7.809732  145.6317       165.6197 236.9097       
245.8821 69.82538       224.0768 26.85101 11.68179 22.63538 10.36839 4.215628 
15.61946 
1 1 1 24  -15 3  o 23.15862 7.234613  40.21999       137.1924 -114.1970      
170.2304 326.3771       231.7351 16.99935 8.172382 29.31788 11.94030 -12.31853 
14.46923 
1 1 1 24  -15 4  o 24.84949 7.574368  163.8623       141.7040 80.02914       
182.5824 290.8488       224.7137 21.63912 9.699257 28.05985 11.63652 -6.420727 
15.14874 
1 1 1 24  -15 5  o 25.95321 7.683995  222.1541       143.8167 268.6402       
188.0752 156.6982       223.1743 27.75714 10.95648 24.14928 10.77639 3.607862 
15.36799 
1 1 1 24  -14 0  o 29.44123 6.714242  219.4580       119.4655 427.2754       
161.4520 -32.00825      177.5997 39.07456 9.840371 19.80790 9.137355 19.26667 
13.42848 
1 1 1 24  -14 1  o 19.75279 6.328752  -9.399005      112.4933 -63.42990      
150.0548 59.93468       169.9812 17.61921 8.230949 21.88638 9.615814 -4.267174 
12.65750 
1 1 1 24  -14 2  f 49.06158 6.737542  659.6224       135.6467 725.4077       
190.0097 591.2495       193.7107 52.87016 8.560245 45.25301 10.40673 7.617146 
13.47508 
1 1 1 24  -14 3  o 17.39623 6.035610  -234.8625      138.9162 -306.5894      
175.0416 -112.8221      228.3243 14.78737 7.344002 20.00509 9.580187 -5.217722 
12.07122 
1 1 1 24  -14 4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  -14 5  o 20.79285 6.830580  -7.209052      141.2319 -69.62798      
183.8944 82.55116       220.5222 18.60777 8.803038 22.97792 10.44671 -4.370152 
13.66116 
1 1 1 24  -14 6  f 22.96613 7.150341  43.59122       138.0922 -124.0153      
177.3732 301.5169       220.0341 17.17037 8.275908 28.76188 11.66271 -11.59151 
14.30068 
1 1 1 24  -14 7  f 21.21412 6.889308  13.35408       135.0782 -90.89133      
170.4561 189.3227       221.4632 17.35091 8.301541 25.07734 10.99703 -7.726427 
13.77862 
1 1 1 24  -13 0  o 30.52888 7.012471  249.6646       120.1815 402.9890       
160.6098 54.58282       181.1653 38.42214 9.898066 22.63562 9.936160 15.78652 
14.02494 
1 1 1 24  -13 1  o 33.70554 6.851990  283.7361       123.5969 47.12485       
168.7328 557.6759       181.5555 21.88823 9.598743 45.52285 9.780757 -23.63462 
13.70398 
1 1 1 24  -13 2  o 42.29218 8.003575  471.1302       137.9482 355.2054       
165.5384 734.5897       249.5558 35.31713 10.44471 49.26724 12.13000 -13.95011 
16.00715 
1 1 1 24  -13 3  o 38.07101 8.337795  413.5637       140.6452 325.3121       
171.6634 593.7714       245.3031 33.30972 10.77740 42.83229 12.72490 -9.522564 
16.67559 
1 1 1 24  -13 4  o 48.14335 7.145235  610.4717       130.8619 564.9387       
155.1098 722.9205       243.7550 47.81463 7.726797 48.47207 12.02140 
-0.6574402     14.29047 
1 1 1 24  -13 5  o 24.94627 7.548609  90.04373       143.2855 -42.27660      
185.6940 284.7629       225.2626 19.84858 9.227350 30.04396 11.94914 -10.19538 
15.09722 
1 1 1 24  -13 6  o 25.50511 10.44145  170.2311       178.1314 170.2311       
178.1314 0.000000       0.000000 25.50511 10.44145 ?        ?        ? ? 
1 1 1 24  -13 7  o 26.58745 7.744715  183.1357       135.0317 100.1786       
167.9903 334.5901       226.9856 22.51332 9.722976 30.66158 12.05762 -8.148268 
15.48943 
1 1 1 24  -13 8  o 35.02804 8.481814  399.1054       146.9712 265.3849       
180.3533 663.4496       253.5771 28.33631 10.83785 41.71976 13.05012 -13.38345 
16.96363 
1 1 1 24  -13 9  o 32.21673 8.188317  340.4145       136.8656 230.7785       
167.8679 557.7988       236.3769 26.70630 10.39954 37.72715 12.65084 -11.02085 
16.37663 
1 1 1 24  -13 10 o 19.70104 6.570171  -31.31938      143.9004 -115.3952      
216.3705 35.36236       192.6930 18.68613 9.034762 20.71595 9.541574 -2.029823 
13.14034 
1 1 1 24  -12 0  o 42.05832 6.781542  454.0152       118.4430 323.7697       
157.4030 624.0335       179.8371 34.52294 10.17690 49.59370 8.965938 -15.07076 
13.56308 
1 1 1 24  -12 1  o 61.05470 5.118810  900.9783       126.9227 1054.103       
171.9071 717.4767       188.1873 67.94946 6.025996 54.15993 8.276246 13.78954 
10.23762 
1 1 1 24  -12 2  o 22.97984 7.166218  -32.19181      132.5871 -160.5892      
162.8482 220.2788       228.3548 16.73967 8.034307 29.22001 11.86881 -12.48034 
14.33244 
1 1 1 24  -12 3  o 21.61712 6.933425  -5.425462      136.4553 52.17995       
167.3245 -119.8079      235.7803 22.15430 9.637508 21.07994 9.970355 1.074360 
13.86685 
1 1 1 24  -12 4  o 65.09865 5.324108  1019.679       140.3176 1019.809       
177.7193 1019.464       228.6452 66.27646 6.386992 63.92083 8.520025 2.355629 
10.64822 
1 1 1 24  -12 5  o 42.80629 7.460099  489.2766       133.5567 352.6310       
171.0307 702.8196       213.8056 35.06886 10.66745 50.54372 10.43158 -15.47487 
14.92020 
1 1 1 24  -12 6  o 23.72601 7.229978  76.42982       135.1027 176.2028       
192.4304 -20.55900      189.7265 26.64657 10.87119 20.80545 9.534540 5.841116 
14.45996 
1 1 1 24  -12 7  o 29.47373 11.93989  260.6413       230.3082 0.000000       
0.000000 260.6413       230.3082 ?        ?        29.47373 11.93989 ? ? 
1 1 1 24  -12 8  o 25.48168 7.454509  99.37889       131.3823 -32.61860      
163.4149 340.6601       220.9380 18.98377 8.760110 31.97959 12.06397 -12.99581 
14.90902 
1 1 1 24  -12 9  o 26.18608 7.343372  144.0382       147.6435 -168.5694      
227.2193 372.4793       194.2373 18.94326 9.176736 33.42889 11.46682 -14.48562 
14.68674 
1 1 1 24  -12 10 o 28.46987 7.270576  239.5812       138.6976 -38.97793      
214.7557 438.9136       181.6665 20.25291 9.554999 36.68682 10.96116 -16.43391 
14.54115 
1 1 1 24  -12 11 o 21.90485 6.981843  81.30770       135.2800 52.02311       
212.9704 101.1160       175.1554 21.69957 10.00845 22.11012 9.737321 
-0.4105549     13.96369 
1 1 1 24  -11 0  o 38.88248 6.432552  389.0334       104.2774 465.5235       
145.2312 307.6370       149.8167 43.57256 8.239150 34.19240 9.880652 9.380154 
12.86510 
1 1 1 24  -11 1  o 34.26724 8.026841  333.7202       135.5519 366.5802       
165.5296 266.8247       236.1785 37.00468 10.28843 31.52979 12.32351 5.474886 
16.05368 
1 1 1 24  -11 2  o 24.61608 7.423829  15.56331       132.7852 -104.1052      
161.7955 262.4645       232.4011 17.96505 8.428032 31.26710 12.22380 -13.30205 
14.84766 
1 1 1 24  -11 3  o 23.85562 7.177008  -55.87045      131.6958 -233.1225      
161.9423 290.2667       226.3022 15.53899 7.582131 32.17226 12.18807 -16.63327 
14.35402 
1 1 1 24  -11 4  o 16.28756 5.532289  -185.0237      108.8792 -270.6230      
145.0936 -74.69422      164.7249 13.84528 6.835139 18.72985 8.700906 -4.884573 
11.06458 
1 1 1 24  -11 5  o 25.30184 7.231843  108.2925       123.2134 5.638043       
164.0176 241.2638       186.6726 20.71000 9.240109 29.89367 11.12738 -9.183674 
14.46369 
1 1 1 24  -11 6  o 23.71095 7.084302  90.97739       123.2615 134.9201       
162.7353 31.83871       188.7878 24.98943 10.07227 22.43247 9.964877 2.556965 
14.16860 
1 1 1 24  -11 7  o 26.84382 7.475946  165.1086       120.9420 113.9986       
152.5083 251.7166       198.5271 23.74790 9.681566 29.93975 11.39414 -6.191849 
14.95189 
1 1 1 24  -11 8  o 26.31741 7.538644  120.1635       152.6071 -168.1273      
240.0885 315.6014       197.6790 20.23882 9.723830 32.39600 11.52266 -12.15718 
15.07729 
1 1 1 24  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  -11 10 f 20.64465 6.695680  -9.349051      133.1751 -107.0093      
213.8380 52.53010       170.2150 19.70635 9.397213 21.58295 9.540488 -1.876596 
13.39136 
1 1 1 24  -11 11 o 20.66631 6.624146  -5.264023      133.5117 -195.9555      
209.9008 124.3113       173.0253 17.84105 8.692200 23.49156 9.998143 -5.650505 
13.24829 
1 1 1 24  -11 12 o 16.96890 5.898809  -239.3594      148.1428 -384.6210      
239.5559 -149.4077      188.5108 16.62997 8.304657 17.30783 8.379527 
-0.6778545     11.79762 
1 1 1 24  -11 13 o 22.58372 7.338043  75.04633       163.3247 -41.55716      
249.5350 162.4347       216.0242 20.85725 9.994774 24.31018 10.74672 -3.452936 
14.67609 
1 1 1 24  -10 0  o 27.76131 7.324874  179.0186       124.1062 260.2686       
150.6911 7.716758       218.8049 31.77725 10.07928 23.74536 10.63124 8.031891 
14.64975 
1 1 1 24  -10 1  o 23.98982 7.349770  52.95336       129.9909 29.44093       
159.9142 98.75252       223.1861 21.67563 9.425359 26.30401 11.28003 -4.628382 
14.69954 
1 1 1 24  -10 2  o 37.60817 7.689277  411.9295       137.7675 501.4698       
167.1975 222.5773       243.1396 44.70541 9.223083 30.51094 12.30588 14.19447 
15.37855 
1 1 1 24  -10 3  o 41.00162 7.867280  430.1644       133.3453 359.8337       
163.5067 569.8362       230.4185 36.94204 10.20905 45.06121 11.97296 -8.119171 
15.73456 
1 1 1 24  -10 4  o 28.36461 6.989075  199.1420       106.6048 267.0504       
145.0472 119.3672       157.2101 32.00804 9.841497 24.72119 9.926411 7.286846 
13.97815 
1 1 1 24  -10 5  o 34.47290 7.560874  330.3814       125.9436 401.5164       
165.0017 231.0894       194.9412 38.99858 10.02420 29.94723 11.32178 9.051352 
15.12175 
1 1 1 24  -10 6  o 40.91356 6.870822  475.0590       136.7556 712.9744       
180.7140 156.2221       209.2015 54.60064 7.883427 27.22647 11.25542 27.37417 
13.74164 
1 1 1 24  -10 7  o 30.84006 8.124235  258.3333       141.8767 305.9736       
203.9344 213.6481       197.5078 32.75886 11.69835 28.92126 11.27659 3.837603 
16.24847 
1 1 1 24  -10 8  o 38.30121 7.135718  418.7957       133.5945 626.3576       
180.9505 170.1008       198.0703 49.49316 9.044415 27.10926 11.03959 22.38390 
14.27144 
1 1 1 24  -10 9  o 24.70736 7.230481  3.635142       143.7875 314.6905       
210.7807 -267.1029      196.6467 32.52256 11.86518 16.89215 8.266615 15.63041 
14.46096 
1 1 1 24  -10 10 o 24.87139 7.735600  71.01672       146.1662 218.2949       
258.6231 1.894582       177.1768 28.84985 12.24946 20.89294 9.450330 7.956905 
15.47120 
1 1 1 24  -10 11 o 16.71494 8.295795  -363.0244      221.4873 -363.0244      
221.4873 0.000000       0.000000 16.71494 8.295795 ?        ?        ? ? 
1 1 1 24  -10 12 o 22.96394 7.363721  50.82564       154.6087 -5.930138      
234.5589 94.42916       205.5927 22.21739 10.34478 23.71050 10.48252 -1.493113 
14.72744 
1 1 1 24  -10 13 o 21.61876 7.109546  -0.5726765     160.5500 -131.0655      
248.4011 93.05158       210.4043 20.06586 9.698158 23.17167 10.39848 -3.105816 
14.21909 
1 1 1 24  -10 14 o 26.48655 7.731391  205.8729       160.4889 -54.08509      
252.5953 381.8536       207.8290 20.89547 10.02341 32.07762 11.77408 -11.18214 
15.46278 
1 1 1 24  -10 15 o 28.52606 8.203383  307.1963       167.0131 145.5618       
260.0209 420.7112       217.9053 24.23317 11.12902 32.81894 12.05516 -8.585770 
16.40677 
1 1 1 24  -9  0  o 37.35101 7.355182  396.4156       129.9034 495.2862       
156.7029 179.1975       232.2692 45.26768 8.557210 29.43434 11.96532 15.83334 
14.71036 
1 1 1 24  -9  1  o 20.81080 6.729195  -55.81234      130.6994 -4.164993      
160.9278 -155.8934      224.0180 20.86948 9.244230 20.75212 9.781231 0.1173630 
13.45839 
1 1 1 24  -9  2  o 41.20615 7.738747  468.2072       136.3578 519.7911       
167.2424 365.9178       235.5072 46.04230 8.972006 36.37001 12.61174 9.672298 
15.47749 
1 1 1 24  -9  3  o 52.96439 6.375751  691.6649       134.6652 742.1404       
177.1082 622.4904       207.3346 56.66314 7.444903 49.26564 10.35250 7.397499 
12.75150 
1 1 1 24  -9  4  o 28.84074 7.292991  205.0224       116.7995 263.4192       
146.2849 102.3231       193.9944 32.09177 9.886681 25.58970 10.72401 6.502071 
14.58598 
1 1 1 24  -9  5  o 36.19469 7.805503  346.1016       128.1584 303.2467       
168.1167 405.5573       198.0192 33.87486 10.63181 38.51453 11.43102 -4.639671 
15.61101 
1 1 1 24  -9  6  o 40.48732 8.520638  410.4391       160.6220 736.7009       
268.2710 228.1263       200.5392 50.83056 12.61460 30.14409 11.45762 20.68647 
17.04128 
1 1 1 24  -9  7  o 65.46542 5.857666  1028.949       155.3555 1025.513       
252.5954 1031.041       197.0271 64.22832 9.367416 66.70253 7.035659 -2.474205 
11.71533 
1 1 1 24  -9  8  o 32.08003 7.705703  277.5778       130.7795 372.6270       
178.2122 166.6593       192.5152 36.85110 10.81777 27.30897 10.97667 9.542133 
15.41141 
1 1 1 24  -9  9  o 27.52160 7.698164  157.3557       143.5731 -4.521415      
211.8166 294.9389       195.2765 22.65224 10.28258 32.39096 11.45930 -9.738720 
15.39633 
1 1 1 24  -9  10 o 28.25528 8.070804  194.9467       147.1497 228.1905       
222.1518 168.9586       196.4184 29.46794 11.81336 27.04261 10.99981 2.425322 
16.14161 
1 1 1 24  -9  11 o 25.44410 7.885211  97.37217       164.2710 -0.5685558     
259.5402 162.8298       212.1794 24.01851 11.06684 26.86969 11.23526 -2.851177 
15.77042 
1 1 1 24  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  -9  13 o 23.74038 7.556712  58.59185       162.5511 -59.67395      
260.7990 133.7222       207.8663 22.32876 10.53295 25.15199 10.83847 -2.823223 
15.11342 
1 1 1 24  -9  14 f 27.74088 8.024178  223.8876       161.5338 44.75552       
251.2555 350.0922       210.8950 23.39974 10.82240 32.08201 11.85012 -8.682274 
16.04836 
1 1 1 24  -9  15 o 26.50280 7.913247  202.5270       167.0036 -10.05364      
255.1091 361.9473       220.9204 21.84556 10.35063 31.16004 11.97257 -9.314484 
15.82649 
1 1 1 24  -9  16 o 23.70200 7.391172  86.88752       165.0918 -230.2941      
256.7585 310.4449       215.5586 18.61159 9.165903 28.79241 11.59758 -10.18082 
14.78234 
1 1 1 24  -8  0  o 34.24838 6.226052  305.8354       111.3269 470.2017       
139.9348 22.43480       183.7468 45.44660 7.334076 23.05017 10.06311 22.39643 
12.45210 
1 1 1 24  -8  1  o 64.16902 5.113518  962.7100       131.6118 1061.163       
169.8300 814.6819       208.2440 69.25220 5.841198 59.08583 8.394799 10.16637 
10.22704 
1 1 1 24  -8  2  o 31.94835 7.085948  229.9768       106.8679 143.1194       
135.5453 372.6708       173.7337 25.74339 9.501913 38.15331 10.51457 -12.40992 
14.17190 
1 1 1 24  -8  3  o 39.67593 6.543199  386.8026       107.0078 350.2859       
146.2312 428.8993       157.0065 37.59026 9.303962 41.76160 9.202722 -4.171341 
13.08640 
1 1 1 24  -8  4  o 25.27139 7.085061  119.2547       113.2022 159.1016       
142.5141 51.13043       186.3423 26.64374 9.752839 23.89904 10.27981 2.744703 
14.17012 
1 1 1 24  -8  5  o 23.81747 6.756448  -46.87889      122.5740 -277.4501      
160.7825 273.0904       189.4046 15.04780 7.396023 32.58715 11.30916 -17.53935 
13.51290 
1 1 1 24  -8  6  o 19.01705 6.358585  -146.1526      133.6367 -183.7681      
192.2363 -110.9743      185.9044 18.49993 8.842813 19.53417 9.139534 -1.034245 
12.71717 
1 1 1 24  -8  7  o 29.73768 7.839868  199.8151       140.8718 59.80347       
203.6076 328.3832       195.1095 24.60113 10.66542 34.87423 11.49360 -10.27310 
15.67974 
1 1 1 24  -8  8  o 27.08546 7.793490  146.8381       139.0148 170.8015       
201.4159 125.0384       192.1075 28.01800 11.24170 26.15293 10.79714 1.865070 
15.58698 
1 1 1 24  -8  9  o 26.32503 7.534011  102.9288       143.6839 -90.61470      
212.7288 265.3003       194.8461 21.08953 9.831995 31.56052 11.41828 -10.47099 
15.06802 
1 1 1 24  -8  10 o 39.71403 7.777309  403.9524       149.2007 725.7183       
230.4404 171.7108       195.7756 51.87030 10.92474 27.55776 11.07232 24.31253 
15.55462 
1 1 1 24  -8  11 o 34.39030 8.139960  299.3689       150.2652 555.3995       
232.4544 115.5825       196.9466 43.35521 12.23730 25.42538 10.73705 17.92983 
16.27992 
1 1 1 24  -8  12 o 40.48646 8.213539  468.0680       150.9892 647.1234       
229.0607 330.4911       200.7843 47.42367 11.58747 33.54924 11.64386 13.87443 
16.42708 
1 1 1 24  -8  13 o 27.64888 8.093309  149.7737       182.0503 -284.6490      
330.5637 338.8944       218.1064 22.06605 10.77975 33.23171 12.07492 -11.16566 
16.18662 
1 1 1 24  -8  14 o 16.17716 8.238666  -826.3637      295.5349 -826.3637      
295.5349 0.000000       0.000000 16.17716 8.238666 ?        ?        ? ? 
1 1 1 24  -8  15 o 19.37978 6.540439  -109.4175      147.3057 -104.3890      
208.7278 -114.4071      207.9179 19.48002 9.288089 19.27954 9.210906 0.2004795 
13.08088 
1 1 1 24  -8  16 o 22.90905 7.454796  57.19081       162.1362 130.3353       
251.6121 5.251124       212.0267 24.65117 11.19448 21.16694 9.847825 3.484230 
14.90959 
1 1 1 24  -8  17 o 35.07269 7.336571  411.1118       178.1538 -223.4691      
285.0359 817.9418       228.2247 19.58467 9.647313 50.56069 11.05579 -30.97602 
14.67314 
1 1 1 24  -7  0  o 44.51304 7.539766  477.3786       131.9783 436.6825       
159.7020 565.0382       234.3872 42.47305 9.214911 46.55303 11.93640 -4.079979 
15.07953 
1 1 1 24  -7  1  o 37.54563 7.616018  379.6931       132.7374 461.6356       
162.6623 216.3679       229.6460 43.72900 9.155225 31.36226 12.17361 12.36674 
15.23204 
1 1 1 24  -7  2  o 69.78040 5.231144  1158.616       143.7682 1431.066       
191.6379 807.8804       217.4344 80.72580 5.654447 58.83499 8.802654 21.89081 
10.46229 
1 1 1 24  -7  3  o 36.50050 7.799900  331.0168       127.1286 292.8248       
162.3117 391.6299       204.4780 34.21469 10.38887 38.78631 11.63723 -4.571621 
15.59980 
1 1 1 24  -7  4  o 35.09042 7.621928  298.0593       123.0541 223.6825       
159.3043 408.0914       193.7619 30.44530 10.38558 39.73555 11.15863 -9.290249 
15.24386 
1 1 1 24  -7  5  o 29.51439 8.197705  173.1379       147.1689 258.0093       
230.9699 115.1292       190.9507 32.62469 12.32672 26.40409 10.81025 6.220596 
16.39541 
1 1 1 24  -7  6  o 31.68955 8.460974  232.0340       155.7441 320.1132       
230.4456 157.9769       211.3076 34.93481 12.43950 28.44429 11.47219 6.490519 
16.92195 
1 1 1 24  -7  7  o 24.00618 7.401495  37.00578       139.8183 50.33985       
206.0501 25.62655       190.3478 24.70181 10.71943 23.31054 10.20894 1.391262 
14.80299 
1 1 1 24  -7  8  o 58.27268 7.171541  855.0603       169.6394 736.8098       
243.1046 967.2866       236.8311 52.96270 11.26995 63.58267 8.871990 -10.61998 
14.34308 
1 1 1 24  -7  9  f 49.57114 7.120296  568.1415       156.1179 1167.438       
253.2976 201.0215       198.2504 69.85601 8.636709 29.28627 11.32262 40.56974 
14.24059 
1 1 1 24  -7  10 o 38.93239 7.374482  322.6115       151.2509 796.6782       
239.9375 10.00989       194.8382 55.15545 10.74510 22.70934 10.10321 32.44611 
14.74896 
1 1 1 24  -7  11 o 42.16441 7.517557  501.2671       153.9714 216.2218       
230.8904 729.5410       206.6222 29.87420 12.01551 54.45461 9.037814 -24.58042 
15.03511 
1 1 1 24  -7  12 o 48.49088 7.233516  622.0029       140.5817 617.8022       
220.8333 624.8651       182.2902 47.23549 11.27576 49.74627 9.063787 -2.510780 
14.46703 
1 1 1 24  -7  13 o 24.97965 7.559568  93.05033       139.4902 164.9908       
216.4456 41.94696       182.4261 27.36820 11.38942 22.59110 9.943310 4.777092 
15.11914 
1 1 1 24  -7  14 o 36.20260 9.261806  296.4782       166.0347 796.4419       
338.4848 138.0636       190.5318 46.75586 15.13426 25.64934 10.68075 21.10652 
18.52361 
1 1 1 24  -7  15 o 41.50187 12.44656  547.6045       233.9427 0.000000       
0.000000 547.6045       233.9427 ?        ?        41.50187 12.44656 ? ? 
1 1 1 24  -7  16 o 25.04247 7.813005  118.0898       162.5458 43.85658       
259.0990 166.2664       208.7300 24.04548 11.07069 26.03946 11.02779 -1.993986 
15.62601 
1 1 1 24  -7  17 o 32.44729 7.958232  346.8304       174.4452 -72.85025      
279.1619 615.6999       223.4433 21.89248 10.51030 43.00209 11.95272 -21.10961 
15.91646 
1 1 1 24  -7  18 o 25.58593 8.175448  182.7607       177.0854 284.6369       
313.5292 135.0359       214.5921 27.41676 12.46255 23.75509 10.58473 3.661676 
16.35090 
1 1 1 24  -6  0  o 68.15090 5.508959  1067.736       144.8125 1100.238       
175.7432 998.9949       255.5866 70.83504 5.909508 65.46676 9.299046 5.368286 
11.01792 
1 1 1 24  -6  1  o 38.92427 7.768227  383.4071       130.1911 400.3280       
161.3463 351.8307       220.4084 40.63060 9.599451 37.21794 12.21605 3.412659 
15.53645 
1 1 1 24  -6  2  o 30.27312 7.113958  204.0700       121.4587 340.5535       
158.2886 8.648684       189.4067 37.27644 9.932253 23.26982 10.18744 14.00662 
14.22792 
1 1 1 24  -6  3  o 24.08327 6.741370  74.12370       112.8089 179.0695       
140.2899 -117.8881      189.7614 28.10033 9.734866 20.06622 9.328271 8.034117 
13.48274 
1 1 1 24  -6  4  f 28.37340 7.863199  139.3784       146.7094 -18.52835      
226.3450 253.7812       192.6589 24.26916 10.84066 32.47764 11.39297 -8.208481 
15.72640 
1 1 1 24  -6  5  o 75.67491 5.906112  1307.392       186.7299 1491.053       
278.7469 1157.879       251.5017 80.53967 8.243683 70.81015 8.459925 9.729523 
11.81222 
1 1 1 24  -6  6  o 34.77961 8.451936  301.9993       148.2323 352.4670       
227.4607 264.7444       195.4305 36.76111 12.40995 32.79810 11.47754 3.963013 
16.90387 
1 1 1 24  -6  7  f 40.75675 7.705101  411.1636       144.6603 652.2164       
215.4377 213.2409       195.2151 51.09493 10.40407 30.41857 11.36792 20.67636 
15.41020 
1 1 1 24  -6  8  o 21.49058 6.833270  -31.44243      122.8703 18.28100       
208.0363 -58.07929      152.2650 24.03844 10.59670 18.94271 8.630427 5.095730 
13.66654 
1 1 1 24  -6  9  o 28.10861 7.859027  122.0347       144.4830 298.8340       
220.1472 -11.73905      191.4954 33.88832 12.14919 22.32889 9.972681 11.55943 
15.71805 
1 1 1 24  -6  10 o 34.94095 7.890627  321.2153       136.1725 420.9833       
189.4198 214.5070       195.8975 39.90780 10.97059 29.97410 11.34435 9.933701 
15.78125 
1 1 1 24  -6  11 o 20.11534 6.706817  -141.6340      144.4979 -81.38863      
222.8908 -185.3101      189.7809 21.96980 10.17335 18.26089 8.742336 3.708908 
13.41363 
1 1 1 24  -6  12 o 22.68298 7.098197  16.27882       135.2909 -46.15985      
205.8328 63.77208       179.5162 21.78690 9.962022 23.57905 10.11414 -1.792143 
14.19639 
1 1 1 24  -6  13 o 28.75084 7.925732  191.7969       137.9124 273.0073       
210.6966 130.9214       182.4202 31.70450 11.81770 25.79717 10.56461 5.907333 
15.85146 
1 1 1 24  -6  14 o 17.41796 5.957226  -178.1283      122.0813 -190.6853      
215.7806 -172.2166      148.0553 19.19920 9.222905 15.63672 7.542692 3.562474 
11.91445 
1 1 1 24  -6  15 o 28.51827 7.862845  211.0286       138.5879 147.9018       
207.3380 262.0096       186.3272 26.43471 11.08280 30.60184 11.15656 -4.167135 
15.72569 
1 1 1 24  -6  16 f 22.33420 7.467551  -76.83884      180.0076 -197.3345      
321.2498 -21.69105      217.3307 22.69119 10.97770 21.97721 10.12657 0.7139854 
14.93510 
1 1 1 24  -6  17 o 24.46085 11.28064  44.06979       270.4451 44.06979       
270.4451 0.000000       0.000000 24.46085 11.28064 ?        ?        ? ? 
1 1 1 24  -6  18 o 31.57417 8.446289  359.9191       180.2226 70.91985       
310.7140 506.4428       221.2414 24.85441 11.66356 38.29393 12.21968 -13.43952 
16.89258 
1 1 1 24  -6  19 o 22.75314 7.607359  9.224731       176.5832 217.0160       
309.0086 -91.53418      215.1784 26.27745 12.09482 19.22882 9.230546 7.048639 
15.21472 
1 1 1 24  -5  0  o 28.51719 7.719144  159.9400       124.1530 169.3248       
149.5631 139.1414       222.6528 28.00690 10.01656 29.02747 11.74773 -1.020578 
15.43829 
1 1 1 24  -5  1  o 32.13131 7.553323  229.1960       119.3649 161.3517       
154.9443 328.2396       187.2114 27.75800 10.16844 36.50462 11.17200 -8.746618 
15.10665 
1 1 1 24  -5  2  o 60.15527 4.992720  774.5479       123.4433 664.4006       
156.2731 957.3254       201.3070 54.79998 6.792427 65.51055 7.319285 -10.71057 
9.985439 
1 1 1 24  -5  3  o 24.53685 7.166510  74.43201       118.9385 89.47695       
153.8986 52.11894       187.4213 24.43079 9.816534 24.64291 10.44371 
-0.2121181     14.33302 
1 1 1 24  -5  4  o 42.14780 7.967879  459.2023       158.2739 214.9698       
235.0773 661.7189       214.0619 31.91342 12.33132 52.38219 10.09390 -20.46877 
15.93576 
1 1 1 24  -5  5  o 27.56787 8.002119  112.7387       145.6692 133.1980       
231.8711 99.39906       187.2294 28.96090 11.89395 26.17485 10.70839 2.786043 
16.00424 
1 1 1 24  -5  6  o 33.72782 7.871416  276.3138       134.4147 362.1070       
184.9642 180.3024       195.6693 37.99191 10.97868 29.46372 11.28297 8.528191 
15.74283 
1 1 1 24  -5  7  o 66.57611 5.923927  1017.894       165.4533 1056.988       
239.7701 982.3574       228.6020 67.75947 8.428418 65.39276 8.326670 2.366707 
11.84785 
1 1 1 24  -5  8  f 58.59897 6.377298  799.4222       149.3186 1060.551       
224.4892 592.2240       199.9684 68.13745 7.847486 49.06049 10.05468 19.07696 
12.75460 
1 1 1 24  -5  9  o 45.16919 7.895039  520.4626       148.4158 584.1852       
223.1740 469.9349       198.7295 47.56967 11.32255 42.76871 11.00574 4.800964 
15.79008 
1 1 1 24  -5  10 o 46.07131 8.235576  561.0748       159.0141 551.4799       
238.0549 568.8052       213.6753 45.19575 12.24321 46.94687 11.01829 -1.751122 
16.47115 
1 1 1 24  -5  11 o 29.69352 7.719387  194.7715       141.8265 -5.716945      
223.5741 329.7797       183.4665 23.92643 10.72852 35.46061 11.10201 -11.53418 
15.43877 
1 1 1 24  -5  12 o 18.73362 6.294429  -161.7417      134.2744 -233.0720      
206.7461 -109.7047      176.5860 18.46519 8.908569 19.00204 8.894759 
-0.5368557     12.58886 
1 1 1 24  -5  13 o 32.24437 7.518033  281.7075       126.9300 137.1846       
213.0780 361.2009       158.0287 27.17098 11.30348 37.31776 9.915377 -10.14678 
15.03607 
1 1 1 24  -5  14 o 29.14094 7.991039  206.0021       139.0972 241.0312       
208.7192 178.0143       186.5660 30.51968 11.66307 27.76221 10.92701 2.757471 
15.98208 
1 1 1 24  -5  15 o 49.96878 7.636481  673.6183       159.5319 835.8443       
229.9680 523.1263       221.4949 57.42276 9.539035 42.51481 11.92771 14.90794 
15.27296 
1 1 1 24  -5  16 o 19.47200 6.569335  -167.7571      152.0257 -71.56301      
205.4148 -284.2573      226.0584 20.72591 9.662095 18.21808 8.903292 2.507832 
13.13867 
1 1 1 24  -5  17 o 44.79897 10.30512  682.6570       209.4657 862.8049       
392.1519 610.7405       247.7731 45.60758 16.22854 43.99036 12.70498 1.617222 
20.61024 
1 1 1 24  -5  18 o 27.77792 11.69538  206.5124       232.5193 0.000000       
0.000000 206.5124       232.5193 ?        ?        27.77792 11.69538 ? ? 
1 1 1 24  -5  19 o 22.38568 7.484893  -26.32328      177.8030 23.94397       
306.4904 -51.82201      218.2899 24.17967 11.40969 20.59168 9.690900 3.587988 
14.96979 
1 1 1 24  -5  20 o 33.77306 8.453547  326.8919       210.8649 -288.0677      
302.3436 909.3184       294.2375 19.56798 9.709149 47.97813 13.84132 -28.41014 
16.90709 
1 1 1 24  -5  21 o 25.07139 8.153449  155.9161       204.4174 -36.70113      
294.9573 333.9344       283.5594 21.84348 10.55915 28.29931 12.42655 -6.455832 
16.30690 
1 1 1 24  -4  0  o 72.83567 4.564527  1201.105       134.3065 1391.924       
178.2040 950.1985       204.3440 80.26238 5.288426 65.40896 7.441247 14.85342 
9.129053 
1 1 1 24  -4  1  o 37.47519 7.457750  318.9250       121.8101 232.7490       
155.0079 458.0639       196.9631 31.62096 10.24225 43.32941 10.84290 -11.70845 
14.91550 
1 1 1 24  -4  2  o 48.37634 6.424571  510.3217       125.1269 328.1847       
159.5543 801.2835       201.6636 36.96582 10.02756 59.78685 8.034204 -22.82103 
12.84914 
1 1 1 24  -4  3  o 74.99962 4.748211  1243.755       148.6580 1139.319       
215.0319 1339.364       205.7439 71.74408 7.139008 78.25515 6.262317 -6.511070 
9.496423 
1 1 1 24  -4  4  o 36.19438 8.557418  315.6417       150.3812 331.0549       
241.2500 305.8470       192.3157 36.86959 12.76654 35.51917 11.39882 1.350414 
17.11484 
1 1 1 24  -4  5  o 33.36844 7.918404  255.9260       134.6863 167.0062       
186.9334 351.9191       194.2262 28.99064 11.04957 37.74624 11.34511 -8.755600 
15.83681 
1 1 1 24  -4  6  o 40.99231 7.861051  397.6684       146.8590 626.6779       
222.3738 220.5260       195.5771 50.56498 10.79266 31.41965 11.43254 19.14534 
15.72210 
1 1 1 24  -4  7  f 39.37157 7.958887  381.3885       141.4630 504.0384       
207.9754 275.7849       192.9825 44.94870 11.07758 33.79443 11.43078 11.15427 
15.91777 
1 1 1 24  -4  8  o 40.36874 8.121869  412.8281       144.7449 463.3450       
208.3059 365.6635       201.2754 42.74469 11.39606 37.99277 11.57535 4.751919 
16.24374 
1 1 1 24  -4  9  o 25.78045 7.568787  84.48983       127.4954 127.8998       
223.0964 63.43682       155.3656 28.28671 11.65024 23.27419 9.665305 5.012522 
15.13757 
1 1 1 24  -4  10 o 23.96591 7.068864  24.79465       128.6891 -131.1659      
183.4260 175.9775       180.5946 19.27217 9.029085 28.65965 10.87892 -9.387476 
14.13773 
1 1 1 24  -4  11 o 36.84118 7.771684  359.6644       144.5614 146.9753       
224.8109 509.6133       188.7628 28.59261 11.72184 45.08976 10.20759 -16.49715 
15.54337 
1 1 1 24  -4  12 o 26.20406 7.635623  91.48887       137.2787 202.9286       
209.7706 8.012180       181.5546 29.98296 11.63558 22.42515 9.890619 7.557806 
15.27125 
1 1 1 24  -4  13 o 19.83326 6.434028  -66.96007      122.0783 -63.47433      
164.9564 -71.18095      181.5194 19.45029 8.903839 20.21623 9.290238 
-0.7659359     12.86806 
1 1 1 24  -4  14 o 30.64769 7.923403  199.8189       149.4299 404.1864       
212.5418 0.6211297E-01  210.1306 38.09126 11.95412 23.20412 10.40289 14.88714 
15.84681 
1 1 1 24  -4  15 o 42.05464 8.575800  506.3861       161.5242 428.6055       
229.1646 583.1769       227.7020 38.40652 12.45485 45.70276 11.79212 -7.296242 
17.15160 
1 1 1 24  -4  16 o 30.05308 7.974791  184.1195       153.5143 -27.27596      
210.0409 426.5404       224.9268 22.15198 10.10435 37.95417 12.34063 -15.80219 
15.94958 
1 1 1 24  -4  17 o 21.98832 7.277560  -80.92171      167.6801 -52.16912      
249.7612 -104.5157      226.2493 22.94342 10.67971 21.03322 9.889157 1.910200 
14.55512 
1 1 1 24  -4  18 o 35.97858 9.216585  428.8112       181.0083 384.8974       
274.6688 462.5234       240.6585 34.10548 13.29809 37.85168 12.76490 -3.746204 
18.43317 
1 1 1 24  -4  19 o 45.53331 11.45543  617.6013       253.9717 1793.801       
536.6753 278.1808       288.2970 61.00541 18.96572 30.06120 12.85336 30.94421 
22.91086 
1 1 1 24  -4  20 o 25.99891 11.89328  140.2705       293.7429 140.2705       
293.7429 0.000000       0.000000 25.99891 11.89328 ?        ?        ? ? 
1 1 1 24  -4  21 o 22.88400 7.719644  8.454000       207.0322 92.02870       
304.1876 -63.66938      282.5804 24.20294 11.40483 21.56505 10.40680 2.637882 
15.43929 
1 1 1 24  -3  0  o 105.0564 5.299758  2464.615       224.3117 2534.887       
283.2903 2346.510       367.2606 107.8953 6.253892 102.2176 8.557954 5.677719 
10.59952 
1 1 1 24  -3  1  o 51.24664 5.694823  595.5345       117.9418 705.9052       
167.5145 487.0402       166.0846 56.67368 7.040316 45.81960 8.953100 10.85408 
11.38965 
1 1 1 24  -3  2  o 23.38184 7.031799  31.95932       120.1954 62.71514       
154.9318 -14.53338      190.4888 23.67532 9.722664 23.08836 10.16143 0.5869656 
14.06360 
1 1 1 24  -3  3  o 64.80872 6.451153  946.4001       172.4518 984.4579       
271.9441 920.8013       223.0323 65.46886 9.893864 64.14858 8.281363 1.320282 
12.90231 
1 1 1 24  -3  4  o 43.73882 7.591077  464.6182       140.8191 583.9957       
199.4865 346.0469       198.8117 49.72787 9.906336 37.74976 11.50488 11.97811 
15.18215 
1 1 1 24  -3  5  f 81.77904 5.766934  1479.486       181.8301 1546.037       
331.6291 1450.880       217.4258 82.06671 9.625132 81.49137 6.355073 0.5753403 
11.53387 
1 1 1 24  -3  6  o 26.28691 7.472939  66.84158       137.2467 -88.95692      
198.4496 209.6814       190.0173 21.50952 9.814067 31.06432 11.27224 -9.554800 
14.94588 
1 1 1 24  -3  7  o 39.73669 8.031984  391.4366       143.2951 307.5475       
204.4289 472.4679       200.9165 35.62386 11.76489 43.84953 10.93793 -8.225662 
16.06397 
1 1 1 24  -3  8  o 37.06239 8.048547  340.8487       141.1247 250.9431       
206.2574 419.9868       193.5126 32.94724 11.76487 41.17754 10.98655 -8.230301 
16.09709 
1 1 1 24  -3  9  o 52.43824 6.281150  603.3873       131.0580 894.9521       
213.1313 426.1059       166.1924 62.83717 8.078889 42.03932 9.619925 20.79785 
12.56230 
1 1 1 24  -3  10 o 66.30016 6.036363  977.5224       163.7970 1160.757       
270.3806 871.2894       205.8744 70.64623 9.116071 61.95409 7.915045 8.692139 
12.07273 
1 1 1 24  -3  11 o 34.46825 8.195732  299.7054       141.8144 241.4261       
219.5761 341.4127       185.7522 32.23137 12.05420 36.70513 11.10749 -4.473763 
16.39146 
1 1 1 24  -3  12 o 23.45628 7.132087  12.83316       121.8172 136.5684       
209.0394 -50.79417      149.9005 27.85687 11.34212 19.05569 8.650033 8.801180 
14.26417 
1 1 1 24  -3  13 o 39.28414 8.550867  414.8957       154.8076 436.0502       
219.9527 394.1298       217.9234 40.26169 12.06746 38.30659 12.11799 1.955097 
17.10173 
1 1 1 24  -3  14 o 19.44339 6.473302  -142.0782      137.1336 -152.0533      
206.4201 -134.1976      183.4739 19.91963 9.388948 18.96714 8.914157 0.9524899 
12.94660 
1 1 1 24  -3  15 o 22.55694 7.207674  -50.18469      151.1458 79.85401       
209.0166 -192.7148      218.8254 25.38533 10.90209 19.72855 9.431157 5.656778 
14.41535 
1 1 1 24  -3  16 o 31.19549 8.494520  250.5767       156.9558 219.7209       
217.1333 284.3429       227.1428 29.93865 11.78677 32.45234 12.23517 -2.513685 
16.98904 
1 1 1 24  -3  17 o 28.72009 8.595954  173.1103       176.6072 206.1305       
276.6898 150.4088       229.4198 29.93395 12.68791 27.50623 11.60080 2.427717 
17.19191 
1 1 1 24  -3  18 o 34.32702 9.349586  368.8148       190.1069 356.7091       
282.5377 378.8294       256.9796 33.82488 13.40448 34.82915 13.03760 -1.004276 
18.69917 
1 1 1 24  -3  19 o 33.87940 9.028411  308.9135       186.1164 622.6653       
292.5622 95.61752       241.2217 42.22865 14.07427 25.53015 11.31210 16.69850 
18.05682 
1 1 1 24  -3  20 o 26.43498 8.433420  123.2917       200.8710 -49.57558      
360.9846 200.8261       241.7573 25.14417 12.04237 27.72579 11.80981 -2.581629 
16.86684 
1 1 1 24  -3  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  -3  22 o 24.87679 8.177115  125.8528       210.0905 -27.32309      
298.3239 276.5663       295.9163 22.34729 10.76173 27.40628 12.31447 -5.058990 
16.35423 
1 1 1 24  -2  0  o 54.81558 5.680739  669.8456       129.1834 692.9302       
172.1881 640.1208       195.3893 56.15634 7.303406 53.47482 8.703072 2.681526 
11.36148 
1 1 1 24  -2  1  o 56.62445 6.331763  778.8562       135.7963 942.4285       
175.9037 537.5748       213.6397 65.85764 6.361945 47.39125 10.94945 18.46639 
12.66353 
1 1 1 24  -2  2  o 46.54165 7.758170  510.3863       147.7368 582.1404       
229.9878 459.9774       192.7681 49.15081 11.36374 43.93249 10.56515 5.218319 
15.51634 
1 1 1 24  -2  3  o 40.31188 8.399869  379.6441       151.2864 496.6664       
236.2874 298.3443       196.9478 44.97065 12.20458 35.65311 11.54467 9.317535 
16.79974 
1 1 1 24  -2  4  o 23.89481 7.481063  -38.11980      145.3152 36.86047       
233.3689 -85.60345      185.7127 26.81068 11.51715 20.97893 9.550943 5.831753 
14.96213 
1 1 1 24  -2  5  o 50.37318 7.742955  606.0391       157.0983 621.5866       
245.6299 595.2770       204.3607 50.45126 11.79586 50.29512 10.03349 0.1561394 
15.48591 
1 1 1 24  -2  6  o 40.25423 7.503101  367.7066       128.4808 525.1673       
206.2526 267.8615       164.2392 46.75335 10.72923 33.75512 10.49141 12.99823 
15.00620 
1 1 1 24  -2  7  o 67.94077 5.665999  1043.291       158.1658 951.0316       
242.7417 1111.359       208.5027 64.81207 8.920918 71.06947 6.987949 -6.257401 
11.33200 
1 1 1 24  -2  8  f 33.59112 6.714451  229.7637       128.6679 501.3151       
175.5968 -85.08403      189.0779 46.13189 9.392405 21.05035 9.597821 25.08154 
13.42890 
1 1 1 24  -2  9  o 35.15522 7.795456  250.6892       123.5339 460.8428       
224.2412 159.1199       148.0205 42.78454 12.00079 27.52591 9.952764 15.25863 
15.59091 
1 1 1 24  -2  10 o 35.80771 8.394832  316.0873       145.9242 288.8853       
238.3111 332.4047       184.5729 34.90557 12.62785 36.70985 11.06482 -1.804272 
16.78966 
1 1 1 24  -2  11 o 35.28429 8.268492  289.5168       143.1565 418.2580       
225.3646 202.4281       185.3566 40.31178 12.24182 30.25681 11.11799 10.05497 
16.53698 
1 1 1 24  -2  12 o 24.14362 7.409413  -8.385036      147.1306 -152.9201      
210.1842 130.4883       206.0264 20.48648 9.610038 27.80076 11.28028 -7.314278 
14.81883 
1 1 1 24  -2  13 o 40.79490 8.734246  445.8977       163.4285 483.7894       
219.2508 398.5217       245.1591 42.98769 11.79654 38.60212 12.88371 4.385574 
17.46849 
1 1 1 24  -2  14 o 63.42780 6.736745  963.7184       178.5677 941.0812       
240.4789 991.5410       266.6023 62.95016 9.099158 63.90543 9.936814 
-0.9552727     13.47349 
1 1 1 24  -2  15 o 55.71038 7.153421  775.0060       163.0464 844.4342       
228.8901 703.4858       232.3129 59.26187 9.199681 52.15889 10.95681 7.102982 
14.30684 
1 1 1 24  -2  16 o 45.08958 8.245200  545.8956       165.7783 335.8879       
224.6787 796.8526       245.6088 34.96026 12.29948 55.21889 10.98435 -20.25864 
16.49040 
1 1 1 24  -2  17 o 31.60962 8.546628  172.0360       159.9260 508.8325       
281.2823 11.15701       194.4054 40.55968 13.80029 22.65955 10.08620 17.90013 
17.09326 
1 1 1 24  -2  18 o 36.90963 9.423928  408.0757       192.0274 564.2902       
283.1365 275.0172       261.3102 42.00403 13.84570 31.81523 12.78821 10.18880 
18.84786 
1 1 1 24  -2  19 o 23.88700 7.773200  -29.85781      184.9206 -194.3027      
285.9679 88.32338       242.4272 22.00548 10.58228 25.76852 11.38885 -3.763033 
15.54640 
1 1 1 24  -2  20 o 20.98759 6.972887  -81.08206      155.5926 -171.0228      
256.8430 -28.94087      195.5600 20.95500 10.06536 21.02018 9.652622 
-0.6517792E-01 13.94577 
1 1 1 24  -2  21 o 28.03654 8.299018  199.2135       173.8409 42.01225       
256.1250 333.4931       236.7167 24.14743 11.07106 31.92565 12.36634 -7.778223 
16.59804 
1 1 1 24  -2  22 o 31.35183 8.582991  333.0599       194.7512 -29.23583      
307.1377 576.6736       251.8560 23.28707 11.14211 39.41658 13.05849 -16.12952 
17.16598 
1 1 1 24  -2  23 o 25.36536 11.87579  169.8842       315.3684 169.8842       
315.3684 0.000000       0.000000 25.36536 11.87579 ?        ?        ? ? 
1 1 1 24  -1  0  o 68.76678 4.914783  1015.742       134.7428 981.9932       
165.2716 1082.641       232.6899 67.47195 5.834398 70.06161 7.910764 -2.589661 
9.829567 
1 1 1 24  -1  1  o 35.18108 7.535233  278.3037       120.0424 223.1554       
155.7926 358.8923       188.3291 31.49351 10.27047 38.86864 11.02889 -7.375130 
15.07047 
1 1 1 24  -1  2  o 53.17976 7.336253  659.6186       158.5884 616.2361       
241.2697 692.6208       210.4347 50.68709 11.58552 55.67242 9.003231 -4.985325 
14.67251 
1 1 1 24  -1  3  o 43.89993 7.004647  431.4441       140.2455 758.4363       
208.1483 159.5764       189.7942 58.44828 8.482468 29.35159 11.14935 29.09669 
14.00929 
1 1 1 24  -1  4  o 27.29910 8.026206  68.67101       150.2617 128.0303       
234.5178 27.33088       195.7119 29.80173 12.05850 24.79647 10.59588 5.005260 
16.05241 
1 1 1 24  -1  5  o 30.02013 7.863376  96.18400       147.6116 358.2011       
226.3372 -97.74500      194.7208 38.72474 12.35985 21.31553 9.724446 17.40921 
15.72675 
1 1 1 24  -1  6  o 26.32622 7.467549  25.77018       142.2153 233.6206       
202.3613 -177.0686      199.9068 32.76891 11.65802 19.88353 9.335290 12.88538 
14.93510 
1 1 1 24  -1  7  o 78.09074 5.329716  1343.496       174.4480 1374.083       
255.1801 1316.660       239.0250 78.83672 7.709732 77.34476 7.360944 1.491951 
10.65943 
1 1 1 24  -1  8  o 27.80618 7.333610  145.3957       122.4911 -19.81819      
212.4455 227.6711       149.9199 24.16160 10.67223 31.45075 10.06136 -7.289150 
14.66722 
1 1 1 24  -1  9  o 49.33509 6.820743  440.4137       132.2490 1032.219       
255.5627 223.9765       154.5517 67.44954 9.024838 31.22063 10.22949 36.22890 
13.64149 
1 1 1 24  -1  10 o 30.09408 7.686079  186.3704       128.7197 100.5365       
181.4123 273.3971       182.6685 26.25174 10.61244 33.93642 11.12112 -7.684677 
15.37216 
1 1 1 24  -1  11 o 23.45006 7.317786  -21.97975      141.7026 48.16171       
210.8798 -79.72382      191.3380 25.68851 10.98863 21.21161 9.666953 4.476910 
14.63557 
1 1 1 24  -1  12 o 31.49314 8.397472  216.0646       151.7964 232.0809       
211.9799 199.2079       217.4704 32.09794 11.87564 30.88835 11.87600 1.209597 
16.79494 
1 1 1 24  -1  13 o 77.90170 5.100576  1343.808       165.6253 1212.209       
218.8724 1520.135       253.3509 73.58653 7.084575 82.21686 7.339775 -8.630325 
10.20115 
1 1 1 24  -1  14 o 25.56592 7.794360  48.72757       152.3728 5.380765       
208.3556 98.56293       223.4063 23.92066 10.56699 27.21119 11.46067 -3.290531 
15.58872 
1 1 1 24  -1  15 o 22.65853 7.309741  -58.01140      154.2649 -43.82322      
209.7791 -74.71858      227.6410 22.56523 10.24040 22.75182 10.43376 
-0.1865921     14.61948 
1 1 1 24  -1  16 o 71.45540 6.290471  1189.211       186.4091 1037.622       
241.7948 1411.314       292.6778 66.15012 8.706376 76.76068 9.081801 -10.61057 
12.58094 
1 1 1 24  -1  17 o 30.98016 8.913002  212.3977       180.4745 294.4153       
277.0807 151.9624       237.8472 33.50687 13.27568 28.45345 11.89633 5.053423 
17.82600 
1 1 1 24  -1  18 o 39.29189 8.908376  450.9609       167.4183 491.7820       
232.4046 406.9257       241.3811 41.29024 12.41012 37.29355 12.78380 3.996689 
17.81675 
1 1 1 24  -1  19 o 24.56014 7.852412  -11.78203      181.2740 -199.9327      
271.6436 139.2730       243.3964 21.64080 10.38421 27.47947 11.78175 -5.838669 
15.70482 
1 1 1 24  -1  20 o 19.60969 6.598691  -153.1415      150.4155 -76.87938      
206.4749 -239.3818      219.5676 20.68218 9.659243 18.53719 8.992770 2.144993 
13.19738 
1 1 1 24  -1  21 o 28.05709 8.362284  179.5050       165.8954 290.1803       
262.1629 105.5894       214.2466 31.07167 12.68481 25.04250 10.89985 6.029179 
16.72457 
1 1 1 24  -1  22 o 56.39153 7.957907  897.4723       184.2021 1339.772       
288.8124 594.1829       239.1586 70.22931 9.795318 42.55374 12.54452 27.67557 
15.91581 
1 1 1 24  -1  23 f 21.62310 7.332445  -69.81087      189.9367 -229.8996      
329.8342 9.613991       232.3237 21.29199 10.48744 21.95421 10.25049 
-0.6622238     14.66489 
1 1 1 24  -1  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  0   0  o 46.21783 6.691676  491.5084       124.0346 482.3610       
162.0837 504.4353       192.6804 45.98638 8.711540 46.44928 10.15988 
-0.4628983     13.38335 
1 1 1 24  0   1  o 21.85956 6.444673  26.31650       101.2042 84.99631       
136.4914 -45.33883      150.8291 23.85237 9.359082 19.86675 8.862437 3.985624 
12.88935 
1 1 1 24  0   2  o 39.30441 8.522863  354.7926       152.6909 442.5538       
238.3160 293.6783       198.8720 42.85986 12.48667 35.74897 11.60345 7.110886 
17.04573 
1 1 1 24  0   3  o 29.10320 7.567396  111.8200       135.9301 308.5016       
197.8499 -64.01473      187.0710 36.44895 11.54804 21.75745 9.782880 14.69150 
15.13479 
1 1 1 24  0   4  o 35.57150 8.359116  292.4907       149.7585 184.6527       
242.2744 359.1739       190.5152 32.15694 12.49936 38.98605 11.10249 -6.829113 
16.71823 
1 1 1 24  0   5  o 18.71947 6.236409  -190.5807      129.5357 -108.1949      
179.1071 -280.9341      187.5679 20.12565 9.240089 17.31328 8.378062 2.812376 
12.47282 
1 1 1 24  0   6  o 97.14812 5.395500  2088.346       217.3667 2209.414       
291.6316 1937.021       326.0452 100.7308 6.895938 93.56543 8.300102 7.165367 
10.79100 
1 1 1 24  0   7  o 61.94046 6.339506  864.9882       152.4906 1256.381       
227.4688 545.5204       205.5081 75.80180 7.147651 48.07912 10.47227 27.72268 
12.67901 
1 1 1 24  0   8  o 34.11313 7.613385  264.3379       138.3021 49.43700       
215.4389 414.9809       180.3763 26.40437 11.19404 41.82188 10.32221 -15.41751 
15.22677 
1 1 1 24  0   9  o 62.75084 6.496351  923.6383       160.7521 724.3029       
239.6535 1086.685       216.7445 55.24460 10.71516 70.25709 7.348167 -15.01249 
12.99270 
1 1 1 24  0   10 f 29.29953 7.194879  121.4321       140.1650 -239.6498      
222.7860 357.9951       180.3261 20.05590 9.570526 38.54316 10.74570 -18.48726 
14.38976 
1 1 1 24  0   11 o 33.62247 8.379409  254.0879       152.1768 345.9442       
208.6059 149.6022       222.4848 37.59550 11.85176 29.64943 11.84879 7.946070 
16.75882 
1 1 1 24  0   12 o 52.49492 7.745588  675.1766       167.1428 751.7691       
225.8788 582.4849       248.4864 57.07943 9.425773 47.91040 12.29355 9.169029 
15.49118 
1 1 1 24  0   13 o 58.42538 6.843652  807.9361       163.2512 855.0327       
225.5725 756.1381       236.5636 61.02943 8.803755 55.82134 10.48028 5.208092 
13.68730 
1 1 1 24  0   14 o 47.01832 8.167558  558.6119       161.3272 452.9683       
220.3807 680.5900       236.8060 41.89126 11.94462 52.14537 11.14280 -10.25411 
16.33512 
1 1 1 24  0   15 o 26.87822 7.189898  102.5700       128.6654 279.4387       
175.5733 -102.6003      189.0994 33.50239 10.90300 20.25406 9.375663 13.24833 
14.37980 
1 1 1 24  0   16 o 40.29506 8.997203  443.2772       169.9033 437.3493       
235.1317 449.7542       245.7809 40.11471 12.57021 40.47541 12.87588 
-0.3607025     17.99441 
1 1 1 24  0   17 o 39.52283 9.354452  435.0449       182.4138 528.8831       
276.0565 362.3156       243.0317 42.68947 13.65255 36.35619 12.79183 6.333279 
18.70890 
1 1 1 24  0   18 o 64.76672 8.793568  1153.305       231.8038 1034.968       
343.1018 1252.680       314.4139 59.43472 13.97035 70.09874 10.68348 -10.66402 
17.58714 
1 1 1 24  0   19 o 26.26237 8.113522  83.25121       170.9004 5.661490       
267.2875 136.9063       222.2707 25.29351 11.49993 27.23123 11.44851 -1.937714 
16.22704 
1 1 1 24  0   20 o 32.00174 8.746027  286.5349       168.0820 240.9225       
262.2599 318.3302       218.9635 30.67252 12.63194 33.33096 12.09984 -2.658438 
17.49205 
1 1 1 24  0   21 o 29.59917 8.486300  162.7821       174.8327 445.4417       
271.4053 -37.70597      228.5760 36.82571 13.46100 22.37262 10.33782 14.45310 
16.97260 
1 1 1 24  0   22 o 22.36481 7.326624  -28.15982      164.3078 -84.97348      
257.2508 10.98684       213.5393 22.19461 10.46714 22.53500 10.25459 
-0.3403912     14.65325 
1 1 1 24  0   23 o 20.43885 6.772802  -81.94955      149.5176 -217.6610      
211.2346 54.31614       211.6656 17.90363 8.722165 22.97406 10.36375 -5.070433 
13.54560 
1 1 1 24  0   24 o 19.96401 6.757484  -122.8223      160.4186 -265.1500      
214.3349 58.45060       241.8881 16.97487 8.362687 22.95315 10.61696 -5.978279 
13.51497 
1 1 1 24  0   25 o 28.04678 8.797958  316.6895       206.2667 231.2579       
281.5720 415.6302       303.0174 26.10470 11.85126 29.98886 13.00630 -3.884169 
17.59592 
1 1 1 24  1   0  o 26.57392 7.107590  79.74140       111.3001 -12.00704      
139.6050 239.7774       184.3786 20.16725 8.788290 32.98059 11.17306 -12.81334 
14.21518 
1 1 1 24  1   1  o 20.49181 6.633112  -114.1561      130.3386 -173.3060      
183.0085 -53.27082      185.6736 18.98344 8.916298 22.00017 9.823050 -3.016733 
13.26622 
1 1 1 24  1   2  o 64.04628 5.359263  908.7461       140.5562 824.3854       
217.9353 968.8271       183.9189 61.14922 8.489024 66.94334 6.543950 -5.794121 
10.71853 
1 1 1 24  1   3  o 39.58025 7.496066  351.9457       139.2051 149.6113       
191.8938 576.6980       202.2452 29.19294 11.17524 49.96757 9.993905 -20.77463 
14.99213 
1 1 1 24  1   4  o 53.46664 7.540002  635.5825       159.3764 814.0641       
264.4317 533.7574       199.7303 59.03545 11.07747 47.89782 10.23212 11.13763 
15.08000 
1 1 1 24  1   5  o 53.28246 6.397725  609.0784       135.2559 397.7120       
173.7571 934.0888       215.4632 41.27816 10.09607 65.28676 7.860843 -24.00860 
12.79545 
1 1 1 24  1   6  f 28.13846 7.223598  36.76303       141.9975 -291.4232      
205.2740 337.9044       196.6342 18.33239 8.852455 37.94453 11.41734 -19.61214 
14.44720 
1 1 1 24  1   7  o 51.27039 7.290029  612.5367       151.3910 623.8247       
215.6488 601.5674       212.5826 51.76171 10.28884 50.77906 10.33044 0.9826584 
14.58006 
1 1 1 24  1   8  o 41.98907 8.153755  427.7219       147.8283 376.8616       
232.5725 462.2000       191.4875 39.71331 12.51302 44.26484 10.45749 -4.551529 
16.30751 
1 1 1 24  1   9  o 48.38316 7.598074  533.8605       148.6381 695.6521       
237.4530 429.6188       190.5988 54.27808 10.80348 42.48825 10.68680 11.78983 
15.19615 
1 1 1 24  1   10 o 56.18302 6.792675  706.5270       154.9073 583.5294       
202.3252 880.7665       240.8104 49.86352 10.01724 62.50253 9.176959 -12.63900 
13.58535 
1 1 1 24  1   11 o 28.37758 8.003517  111.1072       149.8056 216.7081       
206.3689 -6.525215      217.8080 31.96109 11.73252 24.79408 10.88913 7.167011 
16.00703 
1 1 1 24  1   12 o 31.42882 8.346469  202.9741       151.1139 251.8065       
206.8171 147.0448       221.3357 33.30066 11.79185 29.55697 11.81552 3.743689 
16.69294 
1 1 1 24  1   13 o 50.23463 7.642688  580.0747       166.9527 275.1062       
218.4738 1008.145       258.8388 34.26569 12.12102 66.20358 9.312557 -31.93788 
15.28538 
1 1 1 24  1   14 o 30.55724 8.466807  179.7997       157.0094 145.4290       
207.5750 225.7604       240.0350 28.67529 11.44980 32.43920 12.47596 -3.763910 
16.93361 
1 1 1 24  1   15 o 24.17064 7.633739  -19.79485      157.9364 -3.799371      
213.7160 -39.04127      234.4301 24.11691 10.67164 24.22436 10.91843 
-0.1074524     15.26748 
1 1 1 24  1   16 o 32.21777 8.586005  186.6902       173.4839 429.4618       
256.3815 -18.35118      235.6180 39.87539 13.17529 24.56014 11.01316 15.31525 
17.17201 
1 1 1 24  1   17 o 20.57020 6.900211  -186.9105      160.8047 -168.1543      
222.0496 -207.5947      233.1830 20.61788 9.723874 20.52253 9.792748 
0.9534454E-01  13.80042 
1 1 1 24  1   18 o 26.84666 8.027304  111.8364       146.0754 71.74515       
278.1051 127.1115       171.6623 27.73794 12.23656 25.95538 10.39312 1.782566 
16.05461 
1 1 1 24  1   19 o 35.58148 8.605559  350.9962       154.8876 338.0776       
218.6413 364.0103       219.4493 35.01255 12.15072 36.15041 12.18945 -1.137856 
17.21112 
1 1 1 24  1   20 o 29.01284 8.438098  187.5902       166.6766 123.9024       
261.4488 231.1970       216.3392 27.77772 12.06480 30.24795 11.80028 -2.470224 
16.87620 
1 1 1 24  1   21 o 30.11267 8.615948  226.0616       165.9333 292.0019       
263.3365 182.6392       213.6942 32.14817 12.87267 28.07716 11.45568 4.071003 
17.23190 
1 1 1 24  1   22 o 30.55286 8.634006  222.6963       169.2250 435.4281       
269.9300 84.94607       217.2106 36.30961 13.40753 24.79611 10.88220 11.51350 
17.26801 
1 1 1 24  1   23 o 30.35813 8.833491  273.6561       182.8502 349.2515       
261.3963 201.2227       255.8709 32.57755 12.89857 28.13872 12.07267 4.438824 
17.66698 
1 1 1 24  1   24 o 52.24739 9.026052  912.0505       201.0323 1127.746       
287.9250 706.8782       280.8137 60.76409 11.70402 43.73068 13.74388 17.03341 
18.05210 
1 1 1 24  1   25 f 24.70912 11.32114  -384.1258      193.2282 -956.8896      
279.6073 139.4715       267.3372 ?        ?        24.70912 11.32114 ? ? 
1 1 1 24  2   0  o 26.78556 6.777316  144.2645       97.71375 185.6066       
118.5674 56.74561       172.5124 28.85012 8.903504 24.72101 10.22036 4.129110 
13.55463 
1 1 1 24  2   1  o 39.48792 7.541206  365.3487       128.4274 329.4297       
185.1301 398.6697       178.3093 37.62681 11.01943 41.34904 10.29813 -3.722229 
15.08241 
1 1 1 24  2   2  o 58.60128 5.685550  754.4271       139.3109 708.1612       
201.8021 796.5495       192.5539 56.74639 8.470490 60.45617 7.586349 -3.709785 
11.37110 
1 1 1 24  2   3  o 53.46261 6.342606  640.9312       138.2348 629.8377       
205.9620 650.0247       186.4746 52.46125 9.716391 54.46396 8.155142 -2.002712 
12.68521 
1 1 1 24  2   4  o 97.74834 5.195013  2077.900       212.2205 2082.539       
287.1432 2072.316       315.0436 98.03446 6.976551 97.46223 7.699374 0.5722351 
10.39003 
1 1 1 24  2   5  o 103.9347 4.756873  2330.702       207.2104 2244.310       
283.1258 2430.352       304.0739 101.9154 6.616995 105.9540 6.835697 -4.038643 
9.513746 
1 1 1 24  2   6  o 44.81300 7.335965  472.6208       146.4618 230.3461       
209.8359 702.7822       204.5229 33.18354 11.86477 56.44246 8.630919 -23.25892 
14.67193 
1 1 1 24  2   7  o 80.62784 5.075247  1421.397       168.2192 1374.697       
263.4406 1453.549       218.5849 79.19577 7.923223 82.05991 6.344687 -2.864143 
10.15049 
1 1 1 24  2   8  o 20.86929 6.815368  -190.1009      139.4232 1.563841       
220.7156 -317.3611      179.8491 25.48379 11.07709 16.25479 7.943245 9.228998 
13.63074 
1 1 1 24  2   9  o 40.70947 8.743685  401.1096       165.2679 317.3016       
250.5229 465.6853       219.9068 37.36994 13.00286 44.04898 11.69332 -6.679043 
17.48737 
1 1 1 24  2   10 f 30.93769 8.101274  191.5518       138.3804 198.3546       
177.9167 181.1349       220.1634 30.69104 10.93000 31.18434 11.96067 
-0.4933071     16.20255 
1 1 1 24  2   11 o 31.96869 8.421966  207.8856       152.2178 234.7210       
208.4308 177.2153       222.8266 32.93685 11.82014 31.00054 12.00009 1.936314 
16.84393 
1 1 1 24  2   12 o 25.67430 7.709459  22.03569       151.5553 136.2792       
205.7428 -113.4973      224.0945 28.77870 11.42793 22.56990 10.35110 6.208792 
15.41892 
1 1 1 24  2   13 o 50.05518 8.165821  614.7571       168.1725 600.3954       
233.8674 630.1355       242.0048 49.48058 11.47176 50.62979 11.62416 -1.149208 
16.33164 
1 1 1 24  2   14 o 30.74239 8.555974  177.6868       163.1926 213.0158       
226.0498 139.2315       235.8397 31.90085 12.15311 29.58393 12.04661 2.316923 
17.11195 
1 1 1 24  2   15 o 41.96561 8.759134  441.6919       165.0699 354.3046       
218.3815 558.1723       252.1261 37.52978 12.15708 46.40145 12.61329 -8.871674 
17.51827 
1 1 1 24  2   16 o 20.81278 7.060669  -260.5055      175.5644 -260.5651      
265.3993 -260.4592      234.1058 21.61977 10.34750 20.00579 9.609449 1.613979 
14.12134 
1 1 1 24  2   17 o 27.68879 7.834489  127.6911       134.7834 214.2913       
221.4646 76.74456       169.8643 31.04249 11.97431 24.33510 10.10608 6.707390 
15.66898 
1 1 1 24  2   18 o 27.75977 8.247969  7.458162       167.9277 336.9260       
281.2408 -175.0862      209.3418 35.73233 13.57240 19.78722 9.375813 15.94511 
16.49594 
1 1 1 24  2   19 o 41.35380 8.974210  478.5135       169.2646 497.9683       
260.2729 464.2550       222.8198 41.59936 13.25173 41.10824 12.10526 0.4911194 
17.94842 
1 1 1 24  2   20 o 28.22663 8.459354  142.1643       169.7255 160.4748       
276.9294 131.1487       214.7953 29.39995 12.58488 27.05332 11.30767 2.346634 
16.91871 
1 1 1 24  2   21 o 29.70891 8.628721  182.6086       175.6663 336.4256       
265.9598 63.57477       233.9639 34.03720 13.12370 25.38063 11.20659 8.656574 
17.25744 
1 1 1 24  2   22 o 28.16999 8.417717  169.4150       174.7405 82.76965       
264.1217 236.8612       233.0293 26.30983 11.73242 30.03016 12.07402 -3.720322 
16.83543 
1 1 1 24  2   23 o 26.12741 8.274502  82.43356       190.2195 185.3470       
266.6917 -24.13942      271.3919 28.33996 12.24519 23.91485 11.13215 4.425114 
16.54900 
1 1 1 24  2   24 o 46.06544 8.675891  706.6321       198.2067 1063.731       
278.0565 337.7363       282.6122 60.40196 11.38181 31.72891 13.09728 28.67305 
17.35178 
1 1 1 24  2   25 o 35.79279 9.525673  511.0776       205.9073 328.8253       
290.2206 695.8031       292.1831 29.93101 12.85011 41.65457 14.06515 -11.72356 
19.05135 
1 1 1 24  2   26 o 32.43724 9.116048  455.9838       190.7253 538.6786       
261.1447 361.4495       279.2135 35.50984 13.17243 29.36463 12.60541 6.145208 
18.23210 
1 1 1 24  3   0  o 76.60940 4.143992  1248.224       128.9990 1213.941       
162.1722 1307.286       212.8604 75.39183 5.123577 77.82697 6.514573 -2.435135 
8.287985 
1 1 1 24  3   1  o 83.13261 5.034958  1477.138       174.0924 1791.562       
262.6859 1230.867       232.4797 90.99968 6.875716 75.26553 7.357156 15.73415 
10.06992 
1 1 1 24  3   2  f 28.76236 7.341734  162.5631       115.0503 202.5096       
151.9716 108.9304       176.0916 30.54835 10.14374 26.97638 10.61644 3.571966 
14.68347 
1 1 1 24  3   3  o 41.05960 7.598389  390.6128       132.9197 450.1920       
194.6489 338.5557       181.9469 43.93827 10.64808 38.18094 10.84253 5.757332 
15.19678 
1 1 1 24  3   4  o 22.18322 6.701111  -4.621490      115.0064 73.58256       
153.7517 -103.9541      173.2812 24.41397 9.810989 19.95246 9.130391 4.461510 
13.40222 
1 1 1 24  3   5  o 21.21356 6.757156  -82.33336      127.7357 -11.14652      
185.9137 -145.9867      175.8014 23.29641 10.14688 19.13071 8.926221 4.165701 
13.51431 
1 1 1 24  3   6  o 87.02254 4.872751  1655.980       175.9119 1870.621       
243.2747 1420.760       254.6704 93.23904 6.214701 80.80603 7.506816 12.43301 
9.745502 
1 1 1 24  3   7  o 50.00383 7.172518  602.4684       145.4959 394.0732       
220.2538 763.8110       193.8001 40.87153 12.03529 59.13612 7.805885 -18.26460 
14.34504 
1 1 1 24  3   8  f 81.71609 4.857665  1434.141       165.6234 1562.615       
251.8271 1336.208       219.8662 84.83634 7.070361 78.59586 6.663155 6.240486 
9.715330 
1 1 1 24  3   9  o 42.31659 8.547148  423.1181       162.3808 536.8262       
234.9851 319.1961       224.6458 47.36901 11.83697 37.26418 12.33292 10.10483 
17.09430 
1 1 1 24  3   10 f 45.23270 8.396646  483.0438       161.4321 405.2704       
214.6115 584.3951       244.9921 41.17632 11.80217 49.28909 11.94669 -8.112778 
16.79329 
1 1 1 24  3   11 o 36.33482 8.687006  297.2848       156.9706 247.8376       
208.4081 362.1118       238.6281 33.63047 11.84434 39.03917 12.71094 -5.408703 
17.37401 
1 1 1 24  3   12 o 47.70978 8.344666  537.2448       166.7608 413.5647       
219.0641 707.6835       257.1611 41.26252 11.95573 54.15704 11.64450 -12.89452 
16.68933 
1 1 1 24  3   13 o 29.44776 8.327900  117.9697       159.2424 19.30457       
215.1030 237.6172       236.8734 25.37505 10.98110 33.52048 12.52322 -8.145430 
16.65580 
1 1 1 24  3   14 o 62.77073 7.046071  888.9856       176.3417 638.0294       
229.7589 1248.729       275.0869 51.29839 10.98638 74.24306 8.825413 -22.94468 
14.09214 
1 1 1 24  3   15 o 31.12089 8.161928  210.5312       141.4778 245.5822       
174.8772 144.1320       240.6936 32.36803 10.88137 29.87374 12.16816 2.494291 
16.32386 
1 1 1 24  3   16 o 57.96581 8.288584  876.6132       194.2376 613.3754       
296.4834 1074.554       257.0950 47.67301 13.93979 68.25862 8.971336 -20.58561 
16.57717 
1 1 1 24  3   17 o 34.93734 8.585397  304.6459       154.5309 288.9313       
224.3795 318.8246       213.1333 34.31456 12.26906 35.56012 12.01275 -1.245556 
17.17079 
1 1 1 24  3   18 o 34.38580 8.959037  282.7120       167.8479 380.8015       
269.4260 220.4962       214.5747 37.67854 13.44709 31.09306 11.84201 6.585487 
17.91807 
1 1 1 24  3   19 o 33.50243 8.398052  279.3436       164.2094 68.26085       
255.8321 427.2386       214.1438 27.11689 11.85599 39.88798 11.89725 -12.77109 
16.79610 
1 1 1 24  3   20 o 34.06401 8.977861  311.4783       172.6265 283.6727       
260.4543 333.2627       230.5358 33.16138 12.94542 34.96664 12.44283 -1.805256 
17.95572 
1 1 1 24  3   21 o 30.36943 8.900439  206.4532       187.1334 149.3641       
264.7227 263.4769       264.5706 28.70587 12.29663 32.03300 12.87106 -3.327127 
17.80088 
1 1 1 24  3   22 o 59.24597 7.776628  894.4456       185.7165 718.7687       
234.1299 1192.544       304.9857 51.30220 11.18074 67.18974 10.81179 -15.88754 
15.55326 
1 1 1 24  3   23 o 23.79782 7.465045  -19.16842      167.5529 -345.4873      
265.6961 196.2827       215.8929 19.29213 9.490324 28.30350 11.52568 -9.011370 
14.93009 
1 1 1 24  3   24 o 31.48739 8.635781  231.9154       192.1643 -94.68343      
271.8407 558.1331       271.6820 22.58741 10.69388 40.38737 13.56274 -17.79995 
17.27156 
1 1 1 24  3   25 o 28.53671 8.313667  212.8001       182.0149 -60.78913      
285.7710 399.5464       236.0993 22.94229 10.91030 34.13112 12.54725 -11.18883 
16.62733 
1 1 1 24  3   26 o 25.95286 8.210539  117.3002       203.0759 -212.1324      
298.7573 400.2419       276.8750 20.51618 10.08312 31.38953 12.96081 -10.87335 
16.42108 
1 1 1 24  3   27 o 33.23478 8.979338  442.5208       198.8616 774.9251       
288.4937 141.5948       274.4940 42.13150 13.97607 24.33806 11.27757 17.79344 
17.95868 
1 1 1 24  4   0  o 65.29998 5.276550  924.8449       141.6079 693.8398       
193.2628 1192.643       208.0853 56.28641 8.178353 74.31355 6.669517 -18.02714 
10.55310 
1 1 1 24  4   1  o 17.89561 5.908906  -164.4032      110.2295 -250.3704      
146.9111 -53.66178      166.7413 14.96200 7.286371 20.82922 9.304274 -5.867218 
11.81781 
1 1 1 24  4   2  o 65.50753 5.415292  933.6536       148.8900 906.9282       
210.2632 960.5317       210.8624 64.53639 7.760322 66.47867 7.555061 -1.942276 
10.83058 
1 1 1 24  4   3  o 59.64295 5.819748  776.6268       145.6171 816.7462       
210.3500 739.7083       201.7842 61.12975 8.196169 58.15615 8.264423 2.973595 
11.63950 
1 1 1 24  4   4  o 45.19058 7.233693  478.3291       138.3515 331.2204       
203.9009 603.8425       188.3411 37.90736 11.67120 52.47379 8.549167 -14.56643 
14.46739 
1 1 1 24  4   5  o 29.08750 7.611758  143.0959       130.8546 21.55985       
192.4575 247.5826       178.4483 24.71485 10.53249 33.46014 10.99191 -8.745293 
15.22352 
1 1 1 24  4   6  o 16.53040 5.701287  -316.1442      129.0419 -354.1904      
190.1663 -283.6740      175.6791 16.51459 8.093318 16.54621 8.032240 
-0.3162766E-01 11.40257 
1 1 1 24  4   7  o 31.36431 8.130314  191.0650       138.8735 211.2088       
213.1875 176.2162       183.0360 32.58192 11.92824 30.14669 11.05103 2.435232 
16.26063 
1 1 1 24  4   8  o 59.36078 6.663100  825.2568       154.4360 588.1433       
228.9003 1023.375       209.2334 50.07011 11.17534 68.65144 7.259428 -18.58133 
13.32620 
1 1 1 24  4   9  o 19.75411 6.569465  -204.4299      136.1222 -283.3699      
175.8611 -86.45013      214.9933 16.53317 8.029194 22.97505 10.40017 -6.441881 
13.13893 
1 1 1 24  4   10 f 45.47443 8.367648  494.5770       161.5152 469.1031       
229.4953 519.5776       227.3538 44.25800 12.03535 46.69085 11.62843 -2.432850 
16.73530 
1 1 1 24  4   11 o 65.35582 6.097306  884.9505       160.1457 746.1225       
194.9972 1172.613       280.6927 58.24702 7.973993 72.46463 9.226268 -14.21761 
12.19461 
1 1 1 24  4   12 o 70.25505 6.467322  1102.923       190.1903 1071.235       
257.8319 1140.747       281.6879 69.28524 8.863740 71.22487 9.420146 -1.939629 
12.93464 
1 1 1 24  4   13 o 80.28891 6.303942  1403.040       209.2781 1171.988       
270.1351 1749.886       330.9745 72.27719 8.902269 88.30063 8.927953 -16.02344 
12.60788 
1 1 1 24  4   14 o 32.03273 8.549253  207.4118       159.5708 260.7691       
213.6526 140.1016       239.9670 33.96093 11.98922 30.10453 12.19088 3.856403 
17.09851 
1 1 1 24  4   15 o 29.74994 8.608744  121.2025       177.2144 -12.58014      
272.4525 219.3087       233.3131 27.02613 11.99255 32.47374 12.35397 -5.447609 
17.21749 
1 1 1 24  4   16 o 25.21010 7.843105  -14.13519      144.4399 118.0096       
274.6757 -64.64318      169.8147 30.16157 12.70580 20.25863 9.198907 9.902939 
15.68621 
1 1 1 24  4   17 o 31.14569 8.460618  85.41125       166.1190 447.5101       
280.5221 -110.1439      206.1523 41.04295 13.78163 21.24843 9.818095 19.79452 
16.92124 
1 1 1 24  4   18 o 36.49902 8.360221  333.9278       169.1318 61.75299       
261.5794 529.4594       221.7114 27.66198 12.04199 45.33606 11.60016 -17.67407 
16.72044 
1 1 1 24  4   19 o 25.67640 7.809308  59.97495       153.5380 105.6331       
208.0593 5.379119       227.5137 26.72169 11.14640 24.63111 10.94070 2.090588 
15.61862 
1 1 1 24  4   20 o 38.70709 9.417204  420.0734       187.2464 338.7918       
261.9030 505.0619       267.8086 35.46445 13.18436 41.94974 13.45019 -6.485291 
18.83441 
1 1 1 24  4   21 o 29.55288 8.836979  162.7108       189.2247 106.0206       
260.7062 225.8247       275.0803 27.74991 12.05011 31.35585 12.92918 -3.605944 
17.67396 
1 1 1 24  4   22 o 27.09591 8.259269  113.0581       166.4701 87.78539       
211.4827 154.2254       269.9140 25.40718 10.94021 28.78463 12.37635 -3.377457 
16.51854 
1 1 1 24  4   23 o 36.90170 9.480378  428.1938       189.9360 403.9140       
261.9615 455.1051       275.7920 36.07404 13.22097 37.72935 13.59104 -1.655304 
18.96076 
1 1 1 24  4   24 o 47.75661 9.743082  741.7185       206.8723 639.3055       
281.3189 862.3123       305.2699 43.85921 13.75067 51.65402 13.80687 -7.794804 
19.48616 
1 1 1 24  4   25 o 30.26257 9.084786  253.8049       203.7426 418.6921       
304.2910 119.8115       274.3073 34.12540 13.76544 26.39973 11.85942 7.725666 
18.16957 
1 1 1 24  4   26 o 24.50121 7.901185  54.26776       179.1495 -85.05558      
235.9221 244.0227       275.3299 20.73834 9.884869 28.26407 12.32900 -7.525734 
15.80237 
1 1 1 24  4   27 f 47.79170 9.255328  840.6995       188.7560 904.6216       
304.1295 800.6496       240.7318 46.71595 14.22794 48.86745 11.84103 -2.151501 
18.51066 
1 1 1 24  5   0  o 53.70206 5.838330  631.8603       131.3349 580.1406       
184.3771 685.1328       187.1246 51.39080 8.545600 56.01332 7.957205 -4.622513 
11.67666 
1 1 1 24  5   1  o 38.97955 7.365835  345.4797       129.1484 502.0067       
186.8303 202.2377       178.7261 46.74018 9.831331 31.21891 10.97119 15.52128 
14.73167 
1 1 1 24  5   2  o 86.94978 3.993537  1613.338       145.5771 1511.531       
200.2058 1727.558       212.0593 84.03925 5.674344 89.86031 5.620959 -5.821060 
7.987075 
1 1 1 24  5   3  o 32.45933 7.857704  221.2339       129.5477 271.2385       
189.1317 177.0375       177.8084 34.84424 11.31616 30.07442 10.90498 4.769819 
15.71541 
1 1 1 24  5   4  f 24.53337 7.177268  -4.834608      129.2871 162.5880       
191.3901 -145.3567      175.3415 29.91747 11.24106 19.14926 8.926991 10.76820 
14.35454 
1 1 1 24  5   5  o 76.22906 5.249640  1274.180       165.9111 1106.576       
242.3934 1421.917       227.5747 71.22528 8.106019 81.23285 6.672881 -10.00757 
10.49928 
1 1 1 24  5   6  o 29.81333 7.848013  146.6379       134.2515 252.5208       
202.2753 63.27287       179.4824 34.17910 11.70276 25.44756 10.45996 8.731544 
15.69603 
1 1 1 24  5   7  o 75.18018 4.981810  1135.316       149.4624 1516.884       
266.9369 961.0628       180.3906 83.53783 7.611083 66.82251 6.430017 16.71532 
9.963619 
1 1 1 24  5   8  o 82.95535 5.071395  1493.693       176.2803 1573.012       
246.8877 1411.199       251.7803 85.30455 6.893635 80.60616 7.440027 4.698395 
10.14279 
1 1 1 24  5   9  o 76.14447 5.824310  1262.880       184.5378 1327.976       
283.0073 1214.730       243.3997 77.66402 8.679584 74.62492 7.768860 3.039101 
11.64862 
1 1 1 24  5   10 o 23.56660 7.123189  10.58092       126.5292 59.22252       
175.2501 -42.38360      182.8718 24.97334 10.31149 22.15987 9.830187 2.813471 
14.24638 
1 1 1 24  5   11 o 54.03201 7.608891  681.6631       166.1103 681.0568       
226.4823 682.3688       244.3667 54.21473 10.32191 53.84929 11.18209 0.3654442 
15.21778 
1 1 1 24  5   12 o 38.22990 8.358133  348.7039       147.0162 378.8884       
184.3245 295.9279       243.7297 40.05028 10.73925 36.40953 12.81023 3.640755 
16.71627 
1 1 1 24  5   13 o 51.39281 7.356432  620.7343       155.0708 537.0084       
228.7562 691.9216       210.9329 47.19075 11.61028 55.59486 9.037132 -8.404118 
14.71286 
1 1 1 24  5   14 o 63.14987 6.064568  897.6365       154.4543 915.9756       
194.9871 866.7479       253.0554 64.59547 7.189934 61.70427 9.768356 2.891209 
12.12914 
1 1 1 24  5   15 o 76.93466 6.778670  1354.794       213.3709 1341.679       
339.6094 1363.348       274.2611 75.88364 10.65989 77.98568 8.376651 -2.102036 
13.55734 
1 1 1 24  5   16 o 32.54972 6.814018  200.4156       139.8982 -243.0910      
223.5704 485.8301       179.3504 19.94392 9.533813 45.15553 9.738059 -25.21161 
13.62804 
1 1 1 24  5   17 o 30.83756 8.419716  178.8376       167.6523 -38.36521      
276.7820 304.7111       210.7037 26.34811 11.87035 35.32701 11.94409 -8.978903 
16.83943 
1 1 1 24  5   18 o 28.54528 8.472063  95.73983       172.8955 198.5746       
256.8345 10.51853       233.8069 31.66110 12.69814 25.42947 11.21877 6.231632 
16.94413 
1 1 1 24  5   19 f 29.73883 8.724837  125.6109       186.4706 269.8879       
262.6507 -21.01559      264.7806 33.74684 13.03557 25.73082 11.60022 8.016020 
17.44967 
1 1 1 24  5   20 o 37.98899 7.959566  344.5546       175.2919 -57.06833      
258.0996 688.4217       238.8215 24.44343 11.16782 51.53455 11.34454 -27.09112 
15.91913 
1 1 1 24  5   21 o 58.05352 8.540381  900.5517       201.1622 816.6711       
274.8154 997.3741       295.2558 54.88210 12.24193 61.22495 11.91166 -6.342842 
17.08076 
1 1 1 24  5   22 o 32.11469 8.641207  209.5423       167.6240 42.89851       
213.6648 476.2677       270.3153 24.41959 10.75450 39.80980 13.52858 -15.39021 
17.28241 
1 1 1 24  5   23 o 26.83040 8.415856  72.95418       191.1405 167.5560       
274.6551 -15.89367      266.1714 29.01912 12.48113 24.64168 11.29283 4.377443 
16.83171 
1 1 1 24  5   24 o 24.33085 7.717254  17.06311       172.7063 -205.1472      
283.8576 147.6694       217.6208 21.81436 10.50324 26.84734 11.30955 -5.032976 
15.43451 
1 1 1 24  5   25 o 22.14346 7.449673  -197.0532      194.4001 84.67460       
280.8466 -456.2061      269.3596 26.17559 11.86588 18.11134 9.010630 8.064257 
14.89935 
1 1 1 24  5   26 o 24.08861 7.825411  46.84893       175.8935 50.14890       
290.5917 44.94078       220.9712 25.01184 11.59506 23.16537 10.51203 1.846470 
15.65082 
1 1 1 24  5   27 o 26.70739 8.301084  209.6570       177.2875 190.7918       
227.2125 239.0188       283.4600 26.00119 11.26947 27.41359 12.19143 -1.412405 
16.60217 
1 1 1 24  5   28 o 24.07926 7.833118  117.1815       176.6289 27.70450       
225.8771 258.0042       283.3692 21.44781 10.04322 26.71071 12.02350 -5.262899 
15.66624 
1 1 1 24  6   0  o 33.92070 7.282084  246.0744       124.2903 86.23569       
176.4515 403.4781       175.1023 26.10749 10.50253 41.73391 10.09019 -15.62642 
14.56417 
1 1 1 24  6   1  o 76.60699 4.897268  1264.230       156.9662 1418.524       
228.3306 1125.974       216.1382 81.09350 6.706549 72.12048 7.138287 8.973015 
9.794537 
1 1 1 24  6   2  o 32.75177 7.230255  204.1750       113.3265 379.3303       
186.4926 101.6293       142.6949 40.39945 10.78837 25.10409 9.628984 15.29536 
14.46051 
1 1 1 24  6   3  o 89.56721 4.613607  1728.047       173.2775 1650.423       
246.8086 1803.499       243.3313 87.51596 6.717290 91.61848 6.326098 -4.102516 
9.227215 
1 1 1 24  6   4  o 21.06985 6.733926  -83.08436      128.2380 -119.1763      
187.8341 -51.57498      175.5048 20.61790 9.464596 21.52181 9.581465 
-0.9039078     13.46785 
1 1 1 24  6   5  o 52.65053 5.540931  602.8727       118.4086 741.4305       
177.0406 490.7278       159.2749 58.55249 7.201927 46.74857 8.422585 11.80392 
11.08186 
1 1 1 24  6   6  o 53.16688 7.550435  671.6882       160.8632 518.1824       
252.5756 776.4491       208.6549 46.71810 12.59116 59.61567 8.336607 -12.89757 
15.10087 
1 1 1 24  6   7  o 66.70120 5.546175  984.7846       152.3067 1103.365       
205.5921 840.5463       226.7467 71.50943 6.848007 61.89297 8.726110 9.616459 
11.09235 
1 1 1 24  6   8  o 26.41973 7.543205  83.19686       123.6649 108.2302       
211.9579 70.27772       152.2674 28.61964 11.51177 24.21982 9.750847 4.399817 
15.08641 
1 1 1 24  6   9  o 63.00600 5.771571  844.2065       141.7745 548.1981       
183.8559 1278.401       222.6731 49.10948 9.256246 76.90251 6.896812 -27.79303 
11.54314 
1 1 1 24  6   10 o 62.50739 6.292456  854.1184       163.8185 927.6698       
251.3398 799.7948       216.0033 64.70004 9.252898 60.31474 8.530175 4.385300 
12.58491 
1 1 1 24  6   11 f 20.87962 6.848802  -169.1174      137.8143 -240.4514      
172.9933 -45.20649      228.0005 17.04214 8.204032 24.71709 10.96897 -7.674957 
13.69760 
1 1 1 24  6   12 o 37.22437 8.398263  322.4460       149.8596 263.4495       
220.4903 373.0971       204.3012 34.72938 12.18763 39.71937 11.55790 -4.989994 
16.79653 
1 1 1 24  6   13 o 38.58033 8.286894  357.7168       145.1623 389.4052       
180.9486 300.4998       243.1463 40.61502 10.52734 36.54564 12.80100 4.069382 
16.57379 
1 1 1 24  6   14 o 84.57988 6.074751  1588.413       215.1246 1671.554       
318.7490 1518.864       291.5335 86.49741 8.777420 82.66236 8.400434 3.835045 
12.14950 
1 1 1 24  6   15 o 34.37741 8.389082  259.7361       166.1793 -7.238478      
274.2043 414.7134       208.9168 27.48832 12.13533 41.26650 11.58622 -13.77818 
16.77816 
1 1 1 24  6   16 o 30.60459 8.440947  117.3073       143.7946 339.7136       
279.7415 37.43941       167.6369 37.84130 13.68239 23.36788 9.888908 14.47342 
16.88189 
1 1 1 24  6   17 o 30.62903 8.498556  156.2767       172.4460 -40.78708      
267.2166 296.9201       225.7459 26.00833 11.69331 35.24973 12.33565 -9.241404 
16.99711 
1 1 1 24  6   18 o 39.58502 9.013276  384.4153       168.5301 298.2047       
215.9505 518.7154       269.5331 34.94801 12.08077 44.22203 13.37952 -9.274029 
18.02655 
1 1 1 24  6   19 o 28.83271 8.155193  115.0240       170.4895 -187.9321      
282.5511 288.4768       213.7951 23.48968 11.04621 34.17574 12.00042 -10.68606 
16.31039 
1 1 1 24  6   20 f 62.21924 7.483505  962.9978       188.0392 780.2015       
265.1234 1148.029       266.7390 54.73106 11.87177 69.70742 9.114410 -14.97636 
14.96701 
1 1 1 24  6   21 o 48.28171 8.221186  613.5914       165.5896 736.5589       
242.6983 506.4921       226.4983 53.29916 11.20104 43.26426 12.03695 10.03490 
16.44237 
1 1 1 24  6   22 o 34.55188 9.352464  322.4474       191.2952 390.2774       
272.0761 256.1354       269.0145 36.84839 13.47681 32.25536 12.97112 4.593033 
18.70493 
1 1 1 24  6   23 o 39.68209 8.931540  426.4452       197.6706 95.91206       
273.8387 786.0584       285.6309 27.50710 12.13755 51.85708 13.10609 -24.34998 
17.86308 
1 1 1 24  6   24 o 31.37098 9.189155  260.2972       198.0397 279.5374       
282.3887 241.6761       277.8082 31.93143 13.12186 30.81052 12.86775 1.120907 
18.37831 
1 1 1 24  6   25 o 43.20522 10.30451  659.2902       221.8714 630.2004       
311.7714 689.1393       315.8147 42.19823 14.52251 44.21222 14.62288 -2.013996 
20.60903 
1 1 1 24  6   26 o 36.82293 9.609678  480.6220       209.6965 287.7542       
303.5536 656.6761       290.0203 30.66944 13.15369 42.97641 14.01300 -12.30698 
19.21936 
1 1 1 24  6   27 o 22.46120 7.549999  -58.65591      195.4665 -11.54556      
274.5602 -107.0728      278.3413 23.12918 10.88023 21.79322 10.47045 1.335958 
15.10000 
1 1 1 24  6   28 o 24.03979 7.821188  117.3935       179.7634 128.2430       
232.2187 101.1702       283.9648 23.96527 10.83067 24.11431 11.28630 
-0.1490459     15.64238 
1 1 1 24  7   0  o 27.85968 7.484821  128.5822       122.6487 183.6528       
176.2946 76.92618       170.7416 30.27102 10.87006 25.44834 10.29232 4.822681 
14.96964 
1 1 1 24  7   1  o 43.33057 7.123519  431.6784       127.3848 498.5721       
185.5059 371.9896       175.2313 46.60539 9.791554 40.05576 10.34909 6.549629 
14.24704 
1 1 1 24  7   2  o 69.19531 5.170012  1045.793       148.6884 901.5210       
213.6740 1181.241       207.0372 64.34691 7.909429 74.04372 6.660107 -9.696815 
10.34002 
1 1 1 24  7   3  o 22.72663 6.887235  -49.05983      127.5798 -217.6454      
182.7065 111.3604       178.2269 18.20251 8.681556 27.25075 10.69423 -9.048246 
13.77447 
1 1 1 24  7   4  o 25.66850 7.445897  65.40206       128.4396 53.18516       
186.8275 76.35061       176.8637 25.51918 10.59830 25.81783 10.46143 
-0.2986469     14.89179 
1 1 1 24  7   5  o 42.02600 7.050972  380.9143       134.0478 639.5727       
201.1888 174.4207       179.7603 53.99051 8.875799 30.06148 10.95833 23.92903 
14.10194 
1 1 1 24  7   6  o 77.21695 4.943770  1284.534       159.2850 1308.061       
239.7122 1265.932       213.1467 77.73935 7.344635 76.69455 6.619652 1.044800 
9.887540 
1 1 1 24  7   7  o 37.08764 8.098669  315.9648       140.5137 253.5431       
209.9662 366.5965       189.1006 34.42524 11.91104 39.75005 10.97638 -5.324810 
16.19734 
1 1 1 24  7   8  o 33.57171 7.062375  200.6456       140.6185 -153.1615      
211.1180 482.7746       188.5237 21.35923 9.894614 45.78418 10.07994 -24.42495 
14.12475 
1 1 1 24  7   9  o 34.77022 6.856537  283.9944       131.4141 -97.31466      
225.4236 480.2937       161.7411 23.41979 10.62297 46.12065 8.671847 -22.70086 
13.71307 
1 1 1 24  7   10 o 27.41382 7.814372  90.57540       141.2477 7.503425       
214.9598 153.6967       187.3777 25.50360 11.00628 29.32405 11.09591 -3.820450 
15.62874 
1 1 1 24  7   11 f 47.23661 6.679699  522.4388       147.6387 60.46273       
207.1409 999.4507       210.4847 26.68338 11.12554 67.78984 7.395663 -41.10646 
13.35940 
1 1 1 24  7   12 o 30.22463 8.304336  156.1604       149.7282 182.9370       
189.8944 112.1552       243.4374 30.54942 11.25056 29.89984 12.21772 0.6495819 
16.60867 
1 1 1 24  7   13 o 48.36783 7.825082  554.3199       163.1730 344.4772       
231.6250 761.0621       229.9075 38.39341 12.52304 58.34225 9.386224 -19.94884 
15.65016 
1 1 1 24  7   14 o 49.39948 8.206021  577.7313       167.0662 688.4396       
252.2912 491.2732       222.9538 53.65138 11.53192 45.14759 11.67775 8.503792 
16.41204 
1 1 1 24  7   15 o 74.44537 6.923759  1292.395       208.7540 1082.853       
321.4945 1445.146       274.4913 68.18620 11.23048 80.70455 8.101243 -12.51835 
13.84752 
1 1 1 24  7   16 o 30.87162 8.283781  156.7890       167.2295 -111.2773      
269.8428 323.9407       213.0812 24.96348 11.41110 36.77975 12.01128 -11.81627 
16.56756 
1 1 1 24  7   17 o 67.38873 7.034305  1053.753       198.6840 1100.164       
278.3512 1005.545       283.6881 69.12733 9.591010 65.65014 10.29263 3.477188 
14.06861 
1 1 1 24  7   18 o 38.99023 8.757238  274.7182       196.4164 -79.90494      
260.5385 741.6372       298.9573 24.78975 11.29302 53.19072 13.38748 -28.40098 
17.51448 
1 1 1 24  7   19 f 26.20771 8.053812  25.59707       164.3596 120.7892       
252.2779 -44.60561      216.6485 29.16177 12.22553 23.25364 10.48771 5.908127 
16.10762 
1 1 1 24  7   20 o 56.25377 7.959057  796.3392       181.0023 737.5201       
245.6381 866.2189       267.7394 53.96514 11.21491 58.54239 11.29656 -4.577255 
15.91811 
1 1 1 24  7   21 o 32.86957 8.107699  193.4258       180.4823 -260.1876      
278.8819 520.3179       236.7443 21.91208 10.51614 43.82706 12.34301 -21.91498 
16.21540 
1 1 1 24  7   22 o 26.50586 8.320561  43.43452       185.0732 25.05491       
256.8544 63.28000       266.9006 25.88248 11.55509 27.12925 11.97526 -1.246769 
16.64112 
1 1 1 24  7   23 o 53.43700 8.522074  791.0016       199.0269 1144.532       
289.2700 473.2029       274.2623 67.25938 10.24405 39.61462 13.62213 27.64476 
17.04415 
1 1 1 24  7   24 o 32.88079 9.311018  287.7273       198.4003 419.1265       
291.1754 173.8528       271.0638 36.64039 13.84142 29.12119 12.45774 7.519197 
18.62204 
1 1 1 24  7   25 o 44.68235 9.970284  662.2576       208.7575 662.5889       
296.2690 661.9308       294.1972 44.64625 14.12994 44.71845 14.07022 
-0.7220078E-01 19.94057 
1 1 1 24  7   26 o 34.23808 9.633613  395.5814       206.9738 366.2665       
284.4452 428.5670       301.7291 33.38469 13.37413 35.09147 13.86934 -1.706779 
19.26723 
1 1 1 24  7   27 o 26.69665 8.167515  158.0135       176.4422 272.7873       
234.0141 6.807231       268.5998 29.70482 12.03473 23.68847 11.04530 6.016357 
16.33503 
1 1 1 24  7   28 o 22.24514 7.386106  5.077912       174.5723 -28.79030      
234.3492 47.30289       261.6689 21.23244 10.00663 23.25785 10.86672 -2.025412 
14.77221 
1 1 1 24  7   29 o 23.62123 7.456414  136.4791       151.7762 96.61642       
232.4112 166.1211       200.4137 22.95976 10.53472 24.28271 10.55519 -1.322954 
14.91283 
1 1 1 24  8   0  o 34.78666 7.502722  276.5019       123.7367 182.7697       
183.2688 355.0233       167.7406 30.44036 11.06786 39.13296 10.13242 -8.692602 
15.00544 
1 1 1 24  8   1  o 45.20417 7.035341  471.0588       130.1835 415.8227       
183.1441 527.4723       185.0857 42.32403 10.37345 48.08432 9.506608 -5.760292 
14.07068 
1 1 1 24  8   2  o 50.80959 6.444398  569.8551       130.7880 871.4783       
198.3476 337.8283       173.9658 63.38925 7.453024 38.22994 10.51539 25.15931 
12.88880 
1 1 1 24  8   3  o 51.45444 6.609122  592.7269       139.4860 540.7380       
195.4565 646.6832       199.1206 48.60206 9.922193 54.30683 8.733388 -5.704773 
13.21824 
1 1 1 24  8   4  o 64.73723 5.366923  916.5482       143.2260 717.1528       
201.1218 1121.719       204.0134 57.30937 8.359006 72.16509 6.733683 -14.85572 
10.73385 
1 1 1 24  8   5  o 100.6990 5.373786  2177.352       226.0015 2498.618       
338.1179 1917.906       303.8502 107.3901 7.499375 94.00790 7.698680 13.38216 
10.74757 
1 1 1 24  8   6  o 49.61200 6.998451  538.4076       142.3423 749.4363       
219.7279 385.8071       186.8497 58.42682 8.957649 40.79718 10.75517 17.62964 
13.99690 
1 1 1 24  8   7  o 29.73447 8.081296  143.8278       141.4583 191.5569       
212.8855 106.0921       189.2912 31.89273 11.88070 27.57620 10.95802 4.316536 
16.16259 
1 1 1 24  8   8  o 26.81328 7.531891  99.65543       126.4301 105.5669       
174.4995 93.12312       183.4332 26.84130 10.56673 26.78525 10.73600 
0.5604935E-01  15.06378 
1 1 1 24  8   9  o 68.97784 6.151446  1021.647       175.4063 1310.418       
268.6667 807.1160       231.5704 77.43862 8.263753 60.51707 9.114360 16.92155 
12.30289 
1 1 1 24  8   10 o 37.80156 7.818134  330.1807       131.8407 315.1480       
182.9297 346.4292       190.1837 36.98673 10.98875 38.61638 11.12386 -1.629650 
15.63627 
1 1 1 24  8   11 o 92.49712 4.797331  1781.991       182.4775 1386.195       
235.4075 2377.833       288.8353 80.00602 7.008397 104.9882 6.552857 -24.98221 
9.594663 
1 1 1 24  8   12 o 57.23808 6.637949  754.1415       149.3370 1042.888       
214.4286 482.1814       208.1023 69.22163 7.378396 45.25453 11.03670 23.96710 
13.27590 
1 1 1 24  8   13 o 30.27813 8.090529  100.7282       154.3535 334.9808       
233.6456 -80.68027      205.6099 38.05094 12.57754 22.50533 10.17999 15.54561 
16.18106 
1 1 1 24  8   14 o 66.60415 7.315611  1057.535       189.5311 830.3054       
293.1318 1220.772       248.4507 58.73178 12.28559 74.47652 7.945879 -15.74474 
14.63122 
1 1 1 24  8   15 o 58.40677 6.894521  785.3552       164.2408 723.5497       
238.4473 841.1482       226.5521 55.45602 10.62030 61.35752 8.794707 -5.901508 
13.78904 
1 1 1 24  8   16 o 37.49514 9.358212  316.9777       187.7250 441.6316       
271.7705 203.2269       259.6131 42.10394 13.55431 32.88635 12.90679 9.217583 
18.71642 
1 1 1 24  8   17 o 95.68953 7.054731  2085.191       281.4635 1826.484       
374.1867 2422.316       427.1498 88.90491 10.02498 102.4741 9.928577 -13.56922 
14.10946 
1 1 1 24  8   18 o 44.10844 9.008464  493.1480       173.7687 463.8251       
225.3837 536.1249       272.8580 42.87000 12.03345 45.34689 13.40917 -2.476883 
18.01693 
1 1 1 24  8   19 o 28.58895 8.515545  71.01060       181.8279 223.6873       
258.2214 -79.14302      256.0788 32.68525 12.85826 24.49265 11.16795 8.192595 
17.03109 
1 1 1 24  8   20 o 29.33781 8.519247  130.2091       165.6970 238.0038       
264.1540 60.27933       212.7598 32.91256 12.98688 25.76305 11.02956 7.149508 
17.03849 
1 1 1 24  8   21 o 45.59010 8.659823  567.0536       181.8165 329.1027       
262.7103 785.7998       251.8858 35.64668 13.21412 55.53353 11.19631 -19.88685 
17.31965 
1 1 1 24  8   22 o 27.88704 8.472778  73.99745       184.7962 -66.89733      
255.9747 227.3598       267.0601 24.01181 11.03354 31.76227 12.86129 -7.750463 
16.94556 
1 1 1 24  8   23 o 25.90925 8.270725  -13.05191      194.8042 128.3144       
282.8392 -140.6321      268.6942 28.90729 12.55192 22.91121 10.77353 5.996071 
16.54145 
1 1 1 24  8   24 o 35.24772 9.207413  350.5790       178.3348 285.4566       
231.4142 445.8059       279.8365 32.43030 12.31348 38.06514 13.69248 -5.634834 
18.41483 
1 1 1 24  8   25 o 34.16319 9.284554  347.4928       187.5779 287.2387       
256.8525 416.3535       274.5848 31.99592 12.74882 36.33047 13.50109 -4.334545 
18.56911 
1 1 1 24  8   26 o 22.92230 7.477247  -41.25359      166.1097 -133.4332      
218.8185 84.10733       255.1806 20.07895 9.547881 25.76565 11.50977 -5.686705 
14.95449 
1 1 1 24  8   27 o 29.51519 8.057586  194.4281       171.7619 471.2638       
232.4325 -138.6201      254.9408 37.91224 12.54484 21.11814 10.11561 16.79409 
16.11517 
1 1 1 24  8   28 o 24.62578 7.844817  97.15569       170.2399 18.47058       
227.5763 197.1331       256.5263 22.33008 10.31703 26.92148 11.82047 -4.591404 
15.68963 
1 1 1 24  8   29 o 22.31997 7.331717  52.01427       166.7595 71.20687       
224.2322 28.26301       249.4447 22.48068 10.32864 22.15925 10.40843 0.3214321 
14.66343 
1 1 1 24  9   0  o 27.03504 7.728588  30.76168       146.3353 -126.2877      
197.9075 220.1942       217.3559 21.04072 9.682318 33.02936 12.04894 -11.98864 
15.45718 
1 1 1 24  9   1  o 84.30447 5.886034  1547.608       190.4689 1534.572       
227.3341 1578.312       348.8948 84.42274 6.413960 84.18622 9.871305 0.2365189 
11.77207 
1 1 1 24  9   2  o 37.18867 7.307220  297.9297       127.7785 496.8065       
190.1149 134.0684       172.5688 46.44613 10.03443 27.93122 10.62507 18.51490 
14.61444 
1 1 1 24  9   3  o 76.82999 4.889432  1277.216       156.5352 1091.127       
219.3579 1470.308       223.4472 70.97200 7.361856 82.68797 6.436558 -11.71597 
9.778865 
1 1 1 24  9   4  o 60.81824 6.184225  830.4273       151.5565 687.0442       
218.5406 963.2767       210.3599 54.97767 9.822319 66.65880 7.516688 -11.68113 
12.36845 
1 1 1 24  9   5  o 26.76004 7.586556  90.91106       130.5811 47.20656       
197.3985 124.9166       174.1229 25.88120 10.83037 27.63887 10.62668 -1.757668 
15.17311 
1 1 1 24  9   6  o 43.47182 7.838586  431.3111       142.3839 506.8828       
221.0540 377.7263       186.1398 46.56887 11.38597 40.37476 10.77652 6.194111 
15.67717 
1 1 1 24  9   7  f 40.69684 7.945072  383.5480       139.5739 401.6227       
209.1621 369.0387       187.4005 41.49014 11.57489 39.90354 10.88662 1.586605 
15.89014 
1 1 1 24  9   8  o 27.49058 7.302408  108.1478       125.1299 230.8996       
168.2963 -43.59386      187.1169 32.47942 10.67466 22.50174 9.967559 9.977682 
14.60482 
1 1 1 24  9   9  o 101.1391 5.235620  2177.488       208.3948 2333.407       
369.9055 2104.992       252.2321 103.2179 8.536051 99.06030 6.064875 4.157570 
10.47124 
1 1 1 24  9   10 o 56.79778 6.287066  707.1620       149.5520 670.3852       
202.9879 750.8254       221.1780 55.22920 8.754320 58.36635 9.026109 -3.137146 
12.57413 
1 1 1 24  9   11 o 34.49114 7.676857  251.1641       134.9378 94.23600       
190.1151 410.4780       191.5548 27.07055 10.89676 41.91174 10.81652 -14.84119 
15.35371 
1 1 1 24  9   12 f 40.72503 7.452108  389.1423       127.1163 369.5528       
200.7824 402.2468       164.2189 39.68420 11.42902 41.76586 9.566248 -2.081654 
14.90422 
1 1 1 24  9   13 o 48.55022 7.228187  550.0800       142.6803 596.8576       
197.9612 499.5099       205.8296 51.00417 9.597137 46.09628 10.81118 4.907887 
14.45637 
1 1 1 24  9   14 o 53.06292 7.849457  646.9515       153.0555 675.6923       
300.9097 636.9207       177.7695 52.27264 13.58806 53.85320 7.862611 -1.580555 
15.69891 
1 1 1 24  9   15 o 41.89531 9.340090  423.5004       179.9096 437.2375       
294.3633 415.3092       227.3050 42.33935 14.11753 41.45127 12.23293 0.8880768 
18.68018 
1 1 1 24  9   16 o 44.45930 8.825176  486.9448       169.6198 486.4224       
219.8004 487.7139       266.7028 44.72138 11.60770 44.19723 13.29648 0.5241470 
17.65035 
1 1 1 24  9   17 o 60.73036 7.793065  913.2917       186.9453 669.1283       
283.4095 1101.361       248.7328 51.41325 13.09166 70.04747 8.457885 -18.63422 
15.58613 
1 1 1 24  9   18 o 41.38890 9.057555  424.0821       185.2371 231.8913       
261.2850 618.2864       262.6500 33.46266 12.98593 49.31515 12.63024 -15.85249 
18.11511 
1 1 1 24  9   19 o 52.86887 9.005759  706.3380       198.3305 552.8255       
263.4745 907.0580       301.2741 45.96000 13.04619 59.77774 12.41820 -13.81775 
18.01152 
1 1 1 24  9   20 o 58.85543 8.265899  874.8070       196.7481 865.6382       
285.7443 883.0727       271.3047 58.20250 12.09612 59.50836 11.26873 -1.305855 
16.53180 
1 1 1 24  9   21 o 51.40247 7.665362  638.3118       168.5365 329.6481       
221.6898 1061.006       259.4277 35.75426 12.25151 67.05067 9.215829 -31.29640 
15.33072 
1 1 1 24  9   22 o 35.64584 9.450756  333.3062       193.1780 263.2999       
271.2682 405.3375       275.1633 33.14803 13.13500 38.14364 13.59187 -4.995613 
18.90151 
1 1 1 24  9   23 o 35.03201 9.553367  334.8710       199.2326 326.9462       
282.6277 342.6990       280.8953 34.77289 13.50352 35.29113 13.51748 
-0.5182381     19.10673 
1 1 1 24  9   24 o 27.98078 8.526505  53.74847       193.3730 320.4196       
285.2805 -172.9221      263.0157 33.97876 13.46815 21.98279 10.46013 11.99597 
17.05301 
1 1 1 24  9   25 o 21.45536 7.227012  -214.4547      186.9701 -437.9363      
276.7469 -26.79612      253.5982 18.99529 9.392560 23.91543 10.98629 -4.920141 
14.45402 
1 1 1 24  9   26 o 29.17980 8.737782  203.7222       184.6147 237.8390       
273.7726 175.2704       250.0116 30.20055 12.70177 28.15905 12.00251 2.041504 
17.47556 
1 1 1 24  9   27 o 23.18723 7.558741  -87.36426      188.1358 -440.8993      
290.4927 168.0585       246.9158 19.02673 9.450997 27.34774 11.79902 -8.321012 
15.11748 
1 1 1 24  9   28 o 44.42298 9.155441  658.8594       177.4522 730.8857       
290.9345 616.1895       223.9289 44.52982 13.98823 44.31614 11.81600 0.2136765 
18.31088 
1 1 1 24  9   29 o 39.49784 9.148996  587.6970       174.0712 519.2783       
232.0512 675.7395       263.2346 37.27072 12.53455 41.72497 13.33048 -4.454254 
18.29799 
1 1 1 24  9   30 o 20.55850 7.033598  -86.23254      184.9371 -5.794836      
267.6376 -159.7362      255.8420 21.75676 10.40777 19.36024 9.463844 2.396521 
14.06720 
1 1 1 24  10  0  o 38.69977 8.529055  349.3243       155.0712 291.0707       
224.8146 402.1967       214.1792 36.15072 12.33756 41.24881 11.77980 -5.098087 
17.05811 
1 1 1 24  10  1  o 78.16813 9.934057  1363.564       326.0133 1363.564       
326.0133 0.000000       0.000000 78.16813 9.934057 ?        ?        ? ? 
1 1 1 24  10  2  o 68.16093 7.130149  1019.163       196.5466 1102.577       
329.5807 973.1248       244.8502 69.79694 11.24725 66.52493 8.766721 3.272011 
14.26030 
1 1 1 24  10  3  o 80.39487 4.572024  1392.501       154.0546 1354.470       
222.4740 1427.536       213.5331 79.27122 6.684743 81.51852 6.239216 -2.247292 
9.144048 
1 1 1 24  10  4  o 85.24739 5.208793  1576.331       185.9001 1540.319       
271.2744 1608.216       255.2605 84.21641 7.672434 86.27838 7.046974 -2.061974 
10.41759 
1 1 1 24  10  5  o 79.84258 5.480155  1356.415       181.7932 1634.927       
280.7942 1155.429       238.5332 86.76854 7.708092 72.91663 7.791900 13.85191 
10.96031 
1 1 1 24  10  6  o 57.81328 6.886648  778.9350       156.3255 500.0351       
223.7378 1044.954       218.5101 46.18867 11.55519 69.43789 7.495422 -23.24921 
13.77330 
1 1 1 24  10  7  o 47.49426 7.598817  512.3669       148.5343 662.9449       
224.2137 394.6002       198.2863 53.81627 10.29112 41.17225 11.18306 12.64401 
15.19763 
1 1 1 24  10  8  o 87.46921 5.318099  1644.631       193.7107 1965.879       
287.5377 1377.669       262.1199 95.34559 7.183154 79.59283 7.844171 15.75275 
10.63620 
1 1 1 24  10  9  o 30.83509 8.072116  180.3919       138.4745 177.0702       
202.8505 183.2906       189.4958 30.92677 11.58211 30.74341 11.24682 0.1833591 
16.14423 
1 1 1 24  10  10 o 94.88551 4.704313  1939.708       186.4994 2200.948       
268.7057 1696.889       259.0587 101.1656 6.326520 88.60538 6.964006 12.56024 
9.408626 
1 1 1 24  10  11 o 62.19157 5.912415  848.7669       152.4243 1024.287       
219.9537 686.6016       211.4206 68.60526 7.636508 55.77789 9.028307 12.82738 
11.82483 
1 1 1 24  10  12 o 31.04072 8.082959  187.6610       138.9476 173.0757       
197.5691 201.9353       195.4513 30.45615 11.42549 31.62529 11.43656 -1.169138 
16.16592 
1 1 1 24  10  13 o 37.07436 8.298054  318.4047       148.7233 222.2907       
221.5185 397.2829       200.6758 33.12883 12.15608 41.01989 11.29869 -7.891056 
16.59611 
1 1 1 24  10  14 o 39.52485 9.045910  338.7881       168.0017 501.4020       
280.4443 247.7666       209.8166 45.24745 13.63921 33.80225 11.88638 11.44520 
18.09182 
1 1 1 24  10  15 o 60.43353 8.201336  851.7720       203.3573 1012.116       
301.8533 718.5174       275.1759 66.42743 10.82354 54.43963 12.32471 11.98780 
16.40267 
1 1 1 24  10  16 o 54.52656 8.501459  690.2975       199.4907 385.6452       
263.8214 1097.076       304.8503 39.96897 13.36509 69.08415 10.51064 -29.11518 
17.00292 
1 1 1 24  10  17 o 73.69067 6.554154  1140.707       192.4152 959.2136       
231.7716 1543.209       345.1547 65.43902 8.436152 81.94233 10.03290 -16.50331 
13.10831 
1 1 1 24  10  18 o 28.44629 8.443939  55.29656       179.1060 -102.4091      
253.3988 212.7418       253.1895 24.19101 11.05797 32.70157 12.76408 -8.510555 
16.88788 
1 1 1 24  10  19 o 49.72015 9.096572  635.4458       195.3648 470.6161       
268.8800 819.7789       284.3430 42.44769 13.46371 56.99260 12.23598 -14.54490 
18.19314 
1 1 1 24  10  20 o 37.62188 9.556617  359.0065       192.5568 327.7829       
266.2583 393.2428       278.8080 36.38017 13.32937 38.86359 13.69831 -2.483421 
19.11323 
1 1 1 24  10  21 o 24.86257 7.990919  -80.03940      185.6727 -217.6509      
258.6117 66.35665       266.7384 21.82043 10.37780 27.90471 12.15403 -6.084286 
15.98184 
1 1 1 24  10  22 o 40.97206 9.708993  464.0353       212.6949 237.4500       
303.9550 681.4398       297.7336 33.01397 13.59812 48.93016 13.86179 -15.91619 
19.41799 
1 1 1 24  10  23 o 26.62727 8.391122  34.12644       189.1571 89.82928       
278.9075 -13.31745      257.4018 28.17128 12.34755 25.08326 11.36582 3.088022 
16.78224 
1 1 1 24  10  24 o 35.61926 9.557462  328.8285       196.7443 539.6462       
316.3270 195.8244       251.2553 41.30133 14.58753 29.93720 12.35250 11.36412 
19.11492 
1 1 1 24  10  25 o 20.47117 7.002349  -251.4931      182.7798 -330.7177      
284.7813 -195.9958      238.3510 20.56431 10.03788 20.37804 9.765883 0.1862736 
14.00470 
1 1 1 24  10  26 o 30.80705 8.950370  247.7118       186.0178 327.5090       
274.4295 179.8843       253.0115 33.10009 13.18125 28.51401 12.11161 4.586084 
17.90074 
1 1 1 24  10  27 o 28.71465 8.704005  201.3608       186.9972 207.9919       
280.7754 196.0749       250.6835 29.05281 12.55892 28.37649 12.05455 0.6763287 
17.40801 
1 1 1 24  10  28 o 22.03054 7.316465  -68.08257      162.3083 90.85685       
272.9530 -155.0251      201.8777 25.51267 11.60534 18.54840 8.912842 6.964277 
14.63293 
1 1 1 24  10  29 o 32.58063 9.076788  411.7814       185.4907 341.4287       
269.5038 475.1059       255.6880 30.21844 12.65067 34.94282 13.01971 -4.724384 
18.15358 
1 1 1 24  10  30 o 24.77542 7.625325  130.9519       170.2605 348.0412       
221.5885 -181.9391      266.0263 30.06370 11.88451 19.48714 9.557229 10.57656 
15.25065 
1 1 1 24  11  0  o 26.19701 7.999737  -24.64694      161.4935 121.8077       
254.5091 -123.3571      208.9453 30.64030 12.50176 21.75373 9.984452 8.886574 
15.99947 
1 1 1 24  11  1  o 27.51621 8.252511  40.15636       160.6761 92.02393       
263.2346 9.356256       202.8482 30.18189 12.56030 24.85052 10.70768 5.331375 
16.50502 
1 1 1 24  11  2  o 112.4391 7.660048  2752.682       361.5995 0.000000       
0.000000 2752.682       361.5995 ?        ?        112.4391 7.660048 ? ? 
1 1 1 24  11  3  o 36.97533 8.854239  306.4459       161.1157 256.2195       
273.7795 333.0555       199.2757 35.98409 13.45957 37.96658 11.50783 -1.982498 
17.70848 
1 1 1 24  11  4  o 29.00996 7.663399  102.8975       140.2277 -79.70699      
197.2630 289.4381       199.3777 22.15515 9.999060 35.86477 11.61592 -13.70962 
15.32680 
1 1 1 24  11  5  o 65.45297 5.597830  932.4561       153.7399 891.2680       
215.7589 974.9383       219.1222 63.94931 8.036260 66.95663 7.794957 -3.007320 
11.19566 
1 1 1 24  11  6  o 40.10861 7.882992  374.7745       136.7811 359.5952       
210.0924 385.9423       180.2045 39.39796 11.79090 40.81927 10.46618 -1.421314 
15.76598 
1 1 1 24  11  7  o 21.11216 6.729774  -159.3147      133.8122 50.08019       
198.6880 -333.1277      181.0214 26.02449 10.87640 16.19983 7.928645 9.824663 
13.45955 
1 1 1 24  11  8  o 28.22944 7.875653  117.5895       136.7694 126.0358       
204.3246 110.7330       184.0954 28.96909 11.42470 27.48979 10.84342 1.479298 
15.75131 
1 1 1 24  11  9  o 51.95796 6.473282  605.1691       137.5113 668.7804       
194.4134 541.4830       194.5274 55.29261 8.374909 48.62331 9.872912 6.669304 
12.94656 
1 1 1 24  11  10 o 56.15305 6.094432  712.5234       132.7157 742.8464       
166.3230 659.3793       220.1883 58.67134 6.752232 53.63475 10.14770 5.036587 
12.18886 
1 1 1 24  11  11 o 35.50826 7.400341  260.3217       134.6370 51.53515       
187.6133 482.0168       193.3261 25.42373 10.59346 45.59280 10.33628 -20.16908 
14.80068 
1 1 1 24  11  12 o 34.82086 8.321235  254.8397       144.9490 356.1517       
223.1437 180.8865       190.6481 39.08692 12.24507 30.55481 11.27076 8.532116 
16.64247 
1 1 1 24  11  13 o 22.31246 6.972047  -34.70666      128.4109 -47.06630      
177.1250 -21.01381      186.4333 21.64353 9.630909 22.98139 10.08382 -1.337864 
13.94409 
1 1 1 24  11  14 o 21.53450 7.035290  -159.3848      152.9071 -282.7120      
224.3788 -52.45239      208.9330 19.67894 9.441575 23.39007 10.43254 -3.711132 
14.07058 
1 1 1 24  11  15 o 45.45825 8.934427  500.3423       186.1747 701.5994       
264.4723 302.6418       262.1250 53.99141 11.98326 36.92510 13.25509 17.06631 
17.86885 
1 1 1 24  11  16 o 52.83926 8.113872  668.0035       173.9818 700.1050       
261.8743 642.6384       232.7820 53.75485 11.91877 51.92368 11.01284 1.831173 
16.22774 
1 1 1 24  11  17 o 42.49376 7.970471  372.4947       185.6467 851.8781       
268.4471 -66.92470      257.0140 59.69020 11.12655 25.29733 11.41549 34.39288 
15.94094 
1 1 1 24  11  18 o 43.43992 8.231827  466.8750       155.0070 552.7357       
219.9513 382.1577       218.4820 47.55730 11.19015 39.32254 12.07611 8.234756 
16.46365 
1 1 1 24  11  19 o 36.99810 9.362103  332.2369       184.7708 299.5639       
258.4538 366.3927       264.2535 35.69662 13.12733 38.29958 13.35174 -2.602962 
18.72421 
1 1 1 24  11  20 o 30.06996 8.852172  137.4178       185.1494 157.1547       
262.4970 117.8771       261.1896 30.66630 12.63491 29.47362 12.40173 1.192680 
17.70434 
1 1 1 24  11  21 o 27.01674 8.372063  16.69701       186.2719 148.5754       
265.9090 -110.3723      261.0157 30.17135 12.59422 23.86212 11.03409 6.309231 
16.74413 
1 1 1 24  11  22 o 21.36195 7.192098  -278.6321      186.9684 -555.1833      
283.7538 -66.43591      248.5550 18.77949 9.329910 23.94440 10.94796 -5.164913 
14.38420 
1 1 1 24  11  23 o 45.84525 9.549775  600.4777       194.4538 623.0485       
301.9550 584.4847       254.1747 45.85235 14.22027 45.83815 12.75056 
0.1419449E-01  19.09955 
1 1 1 24  11  24 o 34.91178 9.249015  318.1352       182.7398 462.5347       
286.4542 219.0428       237.2972 39.25652 13.88000 30.56703 12.22795 8.689493 
18.49803 
1 1 1 24  11  25 o 25.10052 7.994733  0.3822068      180.0082 130.8634       
263.8762 -113.1884      246.1837 28.04583 12.15004 22.15522 10.39421 5.890602 
15.98947 
1 1 1 24  11  26 o 39.10089 8.772513  445.7410       169.0013 288.5399       
228.5210 635.5047       251.0759 31.99506 12.21051 46.20673 12.59887 -14.21167 
17.54503 
1 1 1 24  11  27 o 23.28432 7.678235  -43.19973      183.3561 -52.30067      
275.0052 -35.91621      246.0187 23.61107 11.06076 22.95758 10.65274 0.6534939 
15.35647 
1 1 1 24  11  28 o 27.58546 8.458797  137.9393       186.7133 358.2983       
281.6722 -34.78064      249.3732 32.53828 13.19490 22.63264 10.58771 9.905645 
16.91759 
1 1 1 24  11  29 o 27.87207 8.333332  235.3437       170.9615 168.9534       
261.6477 284.8050       225.8380 26.28703 11.70104 29.45710 11.86859 -3.170074 
16.66666 
1 1 1 24  11  30 o 43.56598 10.18315  842.0820       220.0218 944.6473       
310.9819 739.2845       311.3341 47.43051 14.37575 39.70145 14.42650 7.729053 
20.36630 
1 1 1 24  12  0  o 29.32151 8.084743  112.6667       158.9645 -122.8921      
256.6084 259.3592       202.5000 24.43093 11.15103 34.21209 11.70926 -9.781160 
16.16949 
1 1 1 24  12  1  o 75.83989 6.532956  1315.958       195.8290 1147.351       
324.1837 1412.832       245.7283 71.09402 10.86123 80.58576 7.263031 -9.491737 
13.06591 
1 1 1 24  12  2  o 35.63258 8.859644  231.3429       168.7071 440.2446       
269.2582 96.32796       216.4656 42.95919 13.44952 28.30598 11.53618 14.65321 
17.71929 
1 1 1 24  12  3  o 25.58144 8.101745  -102.6338      160.9639 82.72915       
306.2576 -173.3811      189.2040 31.70177 13.38845 19.46110 9.127016 12.24067 
16.20349 
1 1 1 24  12  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  12  5  o 34.36478 8.908956  222.8361       163.0483 307.7000       
273.1293 175.8489       203.2341 37.87069 13.53684 30.85888 11.58586 7.011810 
17.81791 
1 1 1 24  12  6  o 51.09956 6.648738  576.9365       138.9088 674.3347       
211.6145 503.1927       184.1334 55.31010 9.113014 46.88902 9.683794 8.421082 
13.29748 
1 1 1 24  12  7  o 30.10398 7.908423  165.3357       132.8768 205.7944       
201.7796 134.3562       176.5665 32.09428 11.61885 28.11368 10.73196 3.980597 
15.81685 
1 1 1 24  12  8  o 27.08965 7.235553  31.19195       132.3680 283.3552       
195.2931 -183.0964      180.0302 35.51202 11.49578 18.66728 8.789761 16.84475 
14.47111 
1 1 1 24  12  9  o 58.10133 6.063697  742.1681       141.7100 568.7457       
191.4124 952.5097       210.8046 49.99437 9.463572 66.20830 7.583832 -16.21393 
12.12739 
1 1 1 24  12  10 o 50.57542 7.029746  570.5657       145.6752 356.7844       
194.6090 843.0179       219.6965 39.13980 11.24534 62.01104 8.438694 -22.87123 
14.05949 
1 1 1 24  12  11 o 54.97396 6.815974  704.6352       148.6267 469.5362       
213.0413 927.5557       207.4501 44.65842 11.33811 65.28951 7.568176 -20.63108 
13.63195 
1 1 1 24  12  12 o 31.99494 8.268218  204.3233       144.2615 204.5264       
216.2968 204.1607       193.6155 32.33071 11.98910 31.65917 11.38925 0.6715412 
16.53644 
1 1 1 24  12  13 o 72.76717 6.228316  1125.817       175.1575 1768.316       
278.8881 707.2907       225.0896 90.09904 7.372774 55.43530 10.04041 34.66374 
12.45663 
1 1 1 24  12  14 o 47.90533 8.332291  549.7048       166.4658 555.2147       
229.9340 543.6362       241.3145 48.27621 11.49405 47.53445 12.06628 0.7417526 
16.66458 
1 1 1 24  12  15 o 25.96708 8.170442  -42.74272      179.5411 -63.79918      
253.8647 -21.67140      253.9543 25.46072 11.42396 26.47343 11.68408 -1.012705 
16.34088 
1 1 1 24  12  16 o 27.21273 8.364921  -11.15722      183.0329 -137.6097      
256.6768 119.6655       261.0745 23.95002 11.02341 30.47545 12.58460 -6.525431 
16.72984 
1 1 1 24  12  17 o 48.51183 9.281027  590.9667       194.6411 512.4655       
271.1848 674.3755       279.5331 45.09302 13.37586 51.93064 12.86997 -6.837624 
18.56205 
1 1 1 24  12  18 o 34.85633 9.008321  208.9668       189.6138 486.6322       
281.3716 -22.03282      256.6403 43.55251 13.76871 26.16016 11.61990 17.39234 
18.01664 
1 1 1 24  12  19 o 31.53731 8.498897  195.0633       166.4468 310.8755       
214.7706 20.89420       263.3803 35.78582 12.05881 27.28881 11.97957 8.497007 
16.99779 
1 1 1 24  12  20 o 25.52857 7.928378  -76.30903      166.2539 -238.8187      
210.8336 190.8954       270.3473 19.12718 9.170877 31.92996 12.93568 -12.80278 
15.85676 
1 1 1 24  12  21 o 60.00261 8.102075  892.3568       195.0728 796.1356       
256.7130 1023.839       300.0863 56.32824 11.25337 63.67698 11.65916 -7.348743 
16.20415 
1 1 1 24  12  22 o 24.37025 7.719503  -16.73956      163.7019 24.84016       
230.9894 -58.69585      232.0330 25.34209 11.16938 23.39841 10.65870 1.943680 
15.43901 
1 1 1 24  12  23 o 42.61613 9.449785  496.1018       185.8651 645.0631       
296.4622 399.6337       238.5747 47.10560 13.98792 38.12666 12.70952 8.978943 
18.89957 
1 1 1 24  12  24 o 30.21476 8.600539  199.7690       160.6934 245.5809       
275.7713 176.2167       197.7318 32.04187 13.03359 28.38765 11.22509 3.654217 
17.20108 
1 1 1 24  12  25 o 27.54022 8.278270  92.76205       181.1969 -123.9520      
268.8777 273.0638       245.2512 22.95847 10.79035 32.12197 12.55736 -9.163504 
16.55654 
1 1 1 24  12  26 o 32.29371 8.840305  274.6564       163.9130 386.0373       
280.0187 216.5977       202.1694 35.34105 13.50804 29.24637 11.40775 6.094685 
17.68061 
1 1 1 24  12  27 o 26.56225 8.256273  88.63355       185.6887 -73.88832      
267.3479 240.1097       258.1029 23.08005 10.82877 30.04445 12.46603 -6.964397 
16.51255 
1 1 1 24  12  28 o 21.60187 7.231982  -94.81464      167.5860 -144.4172      
213.7711 -15.72022      269.9418 19.45285 9.304683 23.75089 11.07380 -4.298044 
14.46396 
1 1 1 24  12  29 o 24.03961 7.847123  20.84486       193.1432 176.2804       
259.1496 -173.3795      289.6858 26.74291 11.80300 21.33631 10.34401 5.406603 
15.69425 
1 1 1 24  12  30 o 22.82326 7.531572  38.60381       176.5813 144.8073       
266.7910 -44.19160      235.5618 24.87779 11.36128 20.76874 9.890376 4.109051 
15.06314 
1 1 1 24  12  31 o 24.39793 11.45760  134.8174       301.8013 134.8174       
301.8013 0.000000       0.000000 24.39793 11.45760 ?        ?        ? ? 
1 1 1 24  13  0  o 31.58655 8.443449  179.4940       166.3893 -83.75619      
293.9449 303.6155       201.8389 26.98953 12.19205 36.18356 11.68423 -9.194025 
16.88690 
1 1 1 24  13  1  o 39.96352 8.686694  382.6248       159.2694 331.8316       
259.0815 413.4812       201.9328 38.18225 13.22908 41.74478 11.26171 -3.562531 
17.37339 
1 1 1 24  13  2  o 93.10699 6.749134  1921.621       257.8798 1997.591       
412.9981 1873.073       330.1506 94.04963 10.45953 92.16435 8.532381 1.885277 
13.49827 
1 1 1 24  13  3  o 110.7643 6.142067  2692.979       275.6813 2751.156       
454.3429 2659.080       346.8222 111.0190 9.747819 110.5095 7.475292 0.5094681 
12.28413 
1 1 1 24  13  4  o 91.54895 6.764928  1877.849       253.5330 1788.722       
399.1497 1938.128       328.2567 89.08897 10.67168 94.00892 8.316980 -4.919945 
13.52986 
1 1 1 24  13  5  o 52.61528 11.22290  647.3229       240.5903 0.000000       
0.000000 647.3229       240.5903 ?        ?        52.61528 11.22290 ? ? 
1 1 1 24  13  6  o 35.21682 13.40644  234.4664       274.9103 234.4664       
274.9103 0.000000       0.000000 35.21682 13.40644 ?        ?        ? ? 
1 1 1 24  13  7  o 36.49198 7.854981  293.2465       150.0910 483.5279       
200.6815 51.69390       226.1075 45.58137 10.66525 27.40259 11.53497 18.17878 
15.70996 
1 1 1 24  13  8  o 40.21478 7.713110  370.9768       134.2884 300.6695       
181.1866 456.6722       200.0342 36.20700 10.97282 44.22254 10.84277 -8.015537 
15.42622 
1 1 1 24  13  9  o 30.58521 7.584656  173.6122       129.2795 301.0829       
182.0148 43.83559       183.6538 36.22319 11.00190 24.94722 10.44348 11.27598 
15.16931 
1 1 1 24  13  10 o 56.13704 6.049416  692.4047       142.5349 675.1419       
201.7319 709.6138       201.4182 55.40369 8.672750 56.87039 8.435942 -1.466694 
12.09883 
1 1 1 24  13  11 o 47.19595 7.817736  522.2572       152.3405 551.2604       
218.0518 494.6020       212.9238 48.53107 10.96014 45.86083 11.15093 2.670238 
15.63547 
1 1 1 24  13  12 o 39.18478 8.156067  360.4287       142.6734 351.2182       
215.0863 367.6658       190.6566 38.77307 11.99706 39.59650 11.05243 
-0.8234367     16.31213 
1 1 1 24  13  13 f 35.82782 8.275186  275.8475       152.8119 123.0727       
215.3032 430.9301       216.9233 29.10788 11.64613 42.54776 11.75935 -13.43988 
16.55037 
1 1 1 24  13  14 o 46.66335 8.195610  511.3834       165.8566 319.9347       
225.9743 734.9548       244.1974 37.24466 12.36934 56.08204 10.75507 -18.83738 
16.39122 
1 1 1 24  13  15 o 25.48292 7.782110  2.604497       154.6677 83.82632       
217.3733 -80.68195      220.1187 27.70552 11.46448 23.26031 10.52666 4.445217 
15.56422 
1 1 1 24  13  16 o 62.83727 7.748504  922.6934       199.8819 928.9502       
290.1419 917.0416       275.7577 62.40695 11.50557 63.26759 10.38168 
-0.8606377     15.49701 
1 1 1 24  13  17 o 48.48560 9.180768  584.5821       192.3031 710.7910       
282.4170 475.4801       262.5804 53.41603 12.75161 43.55518 13.21145 9.860859 
18.36154 
1 1 1 24  13  18 o 28.30452 8.461864  41.55793       180.6362 -109.8371      
251.8894 201.8477       259.1832 24.01900 10.99836 32.59003 12.86268 -8.571024 
16.92373 
1 1 1 24  13  19 o 52.54407 9.128669  708.5090       200.1446 715.9061       
286.9797 701.5039       279.2720 52.73537 13.02246 52.35277 12.79633 0.3825989 
18.25734 
1 1 1 24  13  20 o 42.82426 9.140368  486.7629       179.0047 416.0905       
289.2079 530.6503       227.9060 39.93457 13.96353 45.71394 11.79852 -5.779362 
18.28074 
1 1 1 24  13  21 o 34.92164 7.770749  217.4546       179.3486 -323.3239      
278.0525 602.7411       234.6978 21.30140 10.28935 48.54188 11.64764 -27.24047 
15.54150 
1 1 1 24  13  22 o 41.69038 9.186213  483.9620       189.6895 297.6661       
288.7592 625.3830       251.5887 34.86398 13.62648 48.51678 12.32335 -13.65280 
18.37243 
1 1 1 24  13  23 o 27.20013 8.218040  81.49454       156.1059 188.8180       
275.8195 30.91424       189.3513 30.92050 12.86169 23.47976 10.23336 7.440739 
16.43608 
1 1 1 24  13  24 o 20.63803 7.010507  -235.5072      176.4667 -294.0907      
264.3867 -188.4399      236.9800 20.50239 9.925726 20.77368 9.902967 
-0.2712898     14.02101 
1 1 1 24  13  25 o 30.22420 8.695306  206.3793       179.1508 86.74168       
271.2525 298.9419       238.5931 27.32196 12.06483 33.12644 12.52490 -5.804482 
17.39061 
1 1 1 24  13  26 o 24.93265 7.850248  32.54702       166.2018 -51.83327      
222.1949 139.7243       250.4177 22.17166 10.22494 27.69364 11.91453 -5.521982 
15.70050 
1 1 1 24  13  27 o 31.09824 8.893729  226.9730       196.7412 466.0391       
279.3326 -8.368950      277.1484 37.53852 13.66256 24.65796 11.38982 12.88056 
17.78746 
1 1 1 24  13  28 o 24.79306 7.984777  -25.51236      190.5168 -251.0044      
258.7299 241.5699       281.5811 19.87714 9.678143 29.70898 12.70276 -9.831837 
15.96955 
1 1 1 24  13  29 o 31.16417 8.807125  258.2327       195.6635 -24.71353      
266.1060 591.2468       288.6916 22.95687 10.77685 39.37148 13.93274 -16.41460 
17.61425 
1 1 1 24  13  30 o 28.31308 8.781662  261.1737       202.8090 107.7702       
272.0711 453.0096       304.2493 24.44203 11.28815 32.18413 13.45541 -7.742096 
17.56332 
1 1 1 24  13  31 f 26.94448 7.978027  260.7505       160.9869 96.24129       
313.1235 319.8601       187.6936 23.97561 11.41062 29.91335 11.15318 -5.937733 
15.95605 
1 1 1 24  14  0  o 28.86548 8.427680  71.87196       157.8378 211.6079       
275.5379 3.624175       192.5624 33.84724 13.29289 23.88371 10.36351 9.963535 
16.85536 
1 1 1 24  14  1  o 28.77337 8.084480  123.5177       149.6939 -20.18367      
255.6335 198.5081       184.6673 26.60303 11.73437 30.94371 11.12384 -4.340683 
16.16896 
1 1 1 24  14  2  o 69.44717 6.480017  1084.565       183.1757 1029.359       
292.2654 1120.279       235.0743 67.43538 10.32311 71.45897 7.835551 -4.023590 
12.96003 
1 1 1 24  14  3  o 70.89881 6.536971  1109.012       182.5396 1146.844       
319.8790 1090.744       222.2861 71.09602 10.71671 70.70160 7.488662 0.3944244 
13.07394 
1 1 1 24  14  4  f 101.3538 6.698690  2291.231       283.6673 2030.821       
398.5483 2558.597       403.8362 95.19260 9.972381 107.5150 8.946587 -12.32239 
13.39738 
1 1 1 24  14  5  o 38.61356 9.057393  347.2370       172.3656 253.4442       
287.5211 399.8551       215.3538 36.07546 13.71715 41.15166 11.83154 -5.076199 
18.11479 
1 1 1 24  14  6  f 27.13796 8.172783  -27.75211      171.4311 177.3241       
256.3222 -193.7256      230.5940 32.61486 12.81715 21.66106 10.14388 10.95380 
16.34557 
1 1 1 24  14  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  14  8  o 37.84766 9.119470  280.8199       176.8274 145.1253       
226.4343 492.9162       283.0919 30.45178 12.02140 45.24353 13.71659 -14.79175 
18.23894 
1 1 1 24  14  9  o 25.42699 7.198355  30.88935       129.1522 -133.9349      
182.6993 195.5315       182.5984 19.87366 9.205725 30.98031 11.06887 -11.10665 
14.39671 
1 1 1 24  14  10 o 37.82486 8.047521  325.0830       138.6754 405.8817       
208.2551 260.7139       185.8799 41.49565 11.54108 34.15407 11.21846 7.341579 
16.09504 
1 1 1 24  14  11 o 31.42957 8.038676  199.6554       137.9565 138.6426       
210.1579 245.8550       182.8749 29.52181 11.60440 33.33734 11.12741 -3.815527 
16.07735 
1 1 1 24  14  12 o 25.33012 7.573912  35.62817       139.6532 -20.91542      
211.5896 79.27264       185.8948 24.44018 10.73314 26.22006 10.68907 -1.779879 
15.14782 
1 1 1 24  14  13 o 58.75920 7.887212  792.8009       185.3372 765.1567       
235.0275 838.2610       301.3926 58.47406 9.573627 59.04435 12.53707 
-0.5702934     15.77442 
1 1 1 24  14  14 o 73.88887 5.822187  1205.389       180.4885 1248.808       
254.5261 1161.474       255.9788 75.30729 8.050379 72.47046 8.413255 2.836830 
11.64437 
1 1 1 24  14  15 o 29.65775 8.325623  132.0870       157.6488 206.4521       
220.1206 53.77302       225.8894 32.19983 12.06384 27.11567 11.47727 5.084150 
16.65125 
1 1 1 24  14  16 o 30.40564 8.536438  138.7568       161.7909 73.57473       
210.6693 232.4784       252.6136 26.93642 11.22476 33.87487 12.86421 -6.938450 
17.07288 
1 1 1 24  14  17 o 69.58729 6.494104  1092.492       185.7192 1077.526       
239.2071 1115.203       294.6770 69.50443 8.197523 69.67014 10.07443 
-0.1657104     12.98821 
1 1 1 24  14  18 o 41.71329 8.851937  408.5750       167.0566 294.7488       
213.1310 589.9225       269.0180 35.29576 12.01269 48.13083 13.00471 -12.83506 
17.70387 
1 1 1 24  14  19 o 32.20330 9.015696  177.2822       192.3642 325.2044       
260.1474 -1.173437      285.7379 36.73314 13.20312 27.67347 12.28042 9.059671 
18.03139 
1 1 1 24  14  20 o 35.82728 9.119830  308.1174       186.1930 132.0362       
289.4214 432.4500       243.2018 30.80554 13.01286 40.84902 12.78087 -10.04348 
18.23966 
1 1 1 24  14  21 f 30.86334 8.792864  181.3135       177.9135 94.45913       
275.0672 243.7833       233.2804 29.06639 12.49559 32.66030 12.37409 -3.593908 
17.58573 
1 1 1 24  14  22 o 27.31669 8.400224  67.50101       176.9706 57.89775       
280.7354 73.83366       227.9713 28.05518 12.34166 26.57820 11.39905 1.476976 
16.80045 
1 1 1 24  14  23 o 23.66376 7.700641  -76.51880      174.9006 -20.85259      
259.6180 -122.7775      236.6659 25.19828 11.41646 22.12924 10.33751 3.069036 
15.40128 
1 1 1 24  14  24 o 68.51996 7.337439  1201.743       198.8430 1018.472       
300.7339 1344.099       265.0475 61.63050 12.05259 75.40942 8.371807 -13.77892 
14.67488 
1 1 1 24  14  25 o 29.20711 8.356052  184.1305       167.2446 26.27742       
272.0218 280.0622       212.0598 26.01193 11.74068 32.40229 11.89331 -6.390362 
16.71210 
1 1 1 24  14  26 o 30.83972 9.089664  234.0712       195.6942 205.0631       
274.6474 263.9865       278.9087 29.97928 12.67072 31.70016 13.03614 -1.720881 
18.17933 
1 1 1 24  14  27 o 28.12432 8.087251  136.7468       172.1001 -144.3121      
258.4855 360.5465       230.6574 21.71334 10.34893 34.53529 12.43037 -12.82195 
16.17450 
1 1 1 24  14  28 o 39.60870 8.752969  532.8775       184.2918 685.0342       
231.8589 271.8139       303.7046 48.50021 11.53868 30.71718 13.16499 17.78302 
17.50594 
1 1 1 24  14  29 f 25.88612 8.297483  107.7748       195.5778 61.95108       
270.2117 158.1948       283.4397 24.78488 11.36672 26.98735 12.09093 -2.202469 
16.59497 
1 1 1 24  14  30 o 23.97379 7.981517  45.20491       208.0161 -33.89975      
295.2307 123.1925       293.1387 22.74724 10.89347 25.20034 11.66837 -2.453096 
15.96303 
1 1 1 24  14  31 o 19.78514 6.752013  -44.85179      139.2313 -95.12198      
321.1008 -33.21177      154.5122 21.74516 10.62330 17.82512 8.336917 3.920044 
13.50403 
1 1 1 24  15  0  o 38.54037 8.877804  367.7300       168.5765 228.7495       
291.3578 437.6692       206.6854 34.59815 13.64327 42.48260 11.36322 -7.884457 
17.75561 
1 1 1 24  15  1  o 25.87913 7.880779  10.24335       159.6136 -103.7151      
241.4377 98.71517       212.7327 23.85745 10.86908 27.90082 11.41445 -4.043369 
15.76156 
1 1 1 24  15  2  o 46.73409 9.091624  508.1110       167.6327 595.6125       
331.1283 477.9577       194.3818 48.45691 14.86384 45.01127 10.47363 3.445644 
18.18325 
1 1 1 24  15  3  o 34.65536 8.492368  195.9287       149.9830 464.5068       
266.8193 71.86435       181.3449 43.66584 13.33217 25.64490 10.52304 18.02094 
16.98474 
1 1 1 24  15  4  o 78.74313 6.706407  1433.587       211.2377 1178.867       
333.4732 1604.290       272.9926 71.83119 11.05780 85.65506 7.591347 -13.82387 
13.41281 
1 1 1 24  15  5  o 30.66087 8.731343  132.3113       174.2004 75.93927       
254.1549 182.2589       239.2346 29.23397 12.26405 32.08777 12.43135 -2.853802 
17.46269 
1 1 1 24  15  6  o 68.49585 6.407712  1030.677       183.2210 1194.706       
273.0450 896.3206       247.1179 73.49231 8.849390 63.49939 9.269487 9.992920 
12.81542 
1 1 1 24  15  7  o 31.38220 8.935011  135.4346       176.8862 97.10984       
226.2019 195.7576       283.7902 28.73238 11.76506 34.03203 13.45069 -5.299650 
17.87002 
1 1 1 24  15  8  f 70.65749 7.166210  1098.057       209.7529 988.5046       
271.0649 1261.554       331.1451 66.54450 9.702469 74.77048 10.54895 -8.225983 
14.33242 
1 1 1 24  15  9  o 31.08193 12.15279  161.5681       229.7225 161.5681       
229.7225 0.000000       0.000000 31.08193 12.15279 ?        ?        ? ? 
1 1 1 24  15  10 o 36.60278 8.417387  311.0899       160.7369 93.76405       
269.0468 431.7114       200.4400 30.41143 12.67969 42.79414 11.07407 -12.38270 
16.83477 
1 1 1 24  15  11 o 44.83593 7.140999  444.6997       139.7409 719.7221       
211.3961 231.2524       186.2337 57.02392 8.830007 32.64795 11.22526 24.37597 
14.28200 
1 1 1 24  15  12 o 92.00095 5.461761  1857.505       209.6650 2100.405       
298.0950 1619.699       294.9522 98.20302 7.230210 85.79889 8.188249 12.40413 
10.92352 
1 1 1 24  15  13 o 76.81561 5.727164  1296.930       184.4947 1255.595       
253.7270 1343.304       268.7504 75.56352 7.997892 78.06769 8.199716 -2.504166 
11.45433 
1 1 1 24  15  14 o 51.39940 7.620528  622.6885       162.6893 442.8056       
229.2730 805.1182       230.8904 42.80159 12.17654 59.99722 9.166337 -17.19563 
15.24106 
1 1 1 24  15  15 o 26.90102 7.969802  51.91969       153.0423 138.1917       
224.0808 -23.50535      209.5211 29.73654 11.88803 24.06549 10.61817 5.671053 
15.93960 
1 1 1 24  15  16 o 26.77873 7.907446  -115.5728      180.5684 269.1899       
250.7231 -530.1916      260.2689 35.13776 12.92877 18.41971 9.108120 16.71805 
15.81489 
1 1 1 24  15  17 o 46.54230 9.057434  544.2679       182.5538 551.4625       
256.1413 536.8409       260.2479 46.90582 12.69680 46.17877 12.92051 0.7270546 
18.11487 
1 1 1 24  15  18 o 69.93922 7.446467  1148.196       217.5800 1214.389       
300.5825 1075.336       315.3580 72.49759 9.875548 67.38084 11.14778 5.116745 
14.89293 
1 1 1 24  15  19 o 43.86130 8.885198  496.0485       172.8045 540.3298       
232.3763 441.2660       258.4654 46.32728 11.88897 41.39531 13.20755 4.931973 
17.77040 
1 1 1 24  15  20 o 34.82391 8.962467  289.2858       175.5205 166.1210       
274.8340 374.1216       228.0957 31.31427 12.91963 38.33356 12.42523 -7.019295 
17.92493 
1 1 1 24  15  21 o 63.15492 8.765900  1052.180       222.2650 843.6953       
341.0069 1206.171       293.0714 54.97056 14.54701 71.33928 9.785110 -16.36872 
17.53180 
1 1 1 24  15  22 o 30.53447 8.560678  170.5904       176.3614 -19.05424      
265.0098 321.3459       236.2807 25.70982 11.59720 35.35912 12.59546 -9.649300 
17.12136 
1 1 1 24  15  23 o 25.75427 8.034496  -5.512767      173.3739 165.8765       
261.2232 -140.4483      231.7838 29.95263 12.49155 21.55592 10.10811 8.396715 
16.06899 
1 1 1 24  15  24 o 32.40594 8.467089  268.9164       151.9787 280.5695       
223.9872 258.9744       206.8900 32.89341 12.19985 31.91847 11.74436 0.9749374 
16.93418 
1 1 1 24  15  25 o 44.08994 9.928278  594.4622       210.2868 469.0302       
287.2059 739.4100       308.7415 39.13460 13.89201 49.04528 14.18784 -9.910683 
19.85656 
1 1 1 24  15  26 o 29.44316 8.841208  171.3567       194.5342 54.59208       
271.2348 295.0466       279.1624 26.23728 11.78944 32.64905 13.17866 -6.411766 
17.68242 
1 1 1 24  15  27 o 22.50998 7.466400  -74.59926      173.5453 -45.29570      
215.9745 -128.0006      291.5536 21.82230 10.07029 23.19766 11.02624 -1.375360 
14.93280 
1 1 1 24  15  28 o 30.23764 8.567050  205.4819       190.0553 -87.59612      
275.0424 473.3039       262.9246 22.89957 10.80648 37.57571 13.29652 -14.67614 
17.13410 
1 1 1 24  15  29 o 25.06345 8.180415  53.13180       201.2681 107.0169       
288.1585 1.803207       281.2397 26.11828 11.89242 24.00863 11.23598 2.109648 
16.36083 
1 1 1 24  15  30 o 24.91070 7.456710  161.0468       136.3670 -53.75262      
311.7378 211.8762       151.6458 22.95935 11.04289 26.86205 10.02320 -3.902695 
14.91342 
1 1 1 24  15  31 o 25.65157 7.930788  187.6935       140.3943 282.8365       
325.4075 165.9328       155.6235 27.20887 12.47645 24.09426 9.794272 3.114614 
15.86158 
1 1 1 24  16  0  o 24.15764 7.380889  -108.5124      147.7769 184.8644       
231.5918 -310.0036      191.9280 31.28899 12.20861 17.02629 8.298195 14.26270 
14.76178 
1 1 1 24  16  1  o 34.29767 8.530648  263.8107       157.6045 154.0955       
239.8390 347.1931       209.0855 30.64277 12.27867 37.95256 11.84576 -7.309788 
17.06130 
1 1 1 24  16  2  o 70.68861 6.184653  1128.871       181.2469 970.7751       
262.5242 1272.860       250.5392 65.49340 9.547570 75.88383 7.864071 -10.39043 
12.36931 
1 1 1 24  16  3  o 24.46402 7.817774  -62.22114      149.9747 -12.51398      
294.4476 -79.63410      174.2749 28.46599 12.57004 20.46204 9.298624 8.003948 
15.63555 
1 1 1 24  16  4  o 43.06313 8.400949  413.8961       154.2534 602.6005       
257.6755 308.5019       192.5707 49.79040 12.36695 36.33586 11.37376 13.45454 
16.80190 
1 1 1 24  16  5  o 36.97585 8.483275  316.5708       150.6068 343.0923       
216.8405 291.8529       209.3380 38.19687 12.08831 35.75482 11.90532 2.442047 
16.96655 
1 1 1 24  16  6  o 39.34466 8.251667  356.8869       154.6886 200.4265       
217.3340 517.5303       220.2200 32.04286 11.99075 46.64646 11.33939 -14.60360 
16.50333 
1 1 1 24  16  7  o 65.27351 7.458480  972.2385       198.5458 831.2359       
272.3798 1132.099       290.0222 59.48776 11.31410 71.05927 9.721460 -11.57151 
14.91696 
1 1 1 24  16  8  o 23.15710 7.690425  -225.5760      178.0824 -283.6853      
220.1828 -115.6679      302.8135 19.42142 9.326460 26.89280 12.23061 -7.471380 
15.38085 
1 1 1 24  16  9  o 40.80560 8.758437  386.2558       179.3760 590.7595       
246.4587 155.9113       261.5668 49.67760 11.94585 31.93360 12.81161 17.74401 
17.51687 
1 1 1 24  16  10 o 27.60722 10.98942  111.4299       190.6804 0.000000       
0.000000 111.4299       190.6804 ?        ?        27.60722 10.98942 ? ? 
1 1 1 24  16  11 o 55.85062 7.396560  713.6064       169.4055 828.0346       
248.2261 613.8467       231.7706 60.73419 9.734983 50.96706 11.13851 9.767136 
14.79312 
1 1 1 24  16  12 o 87.09225 5.734609  1644.166       206.6450 1522.403       
266.7425 1826.931       326.7988 83.36358 7.621437 90.82094 8.570685 -7.457359 
11.46922 
1 1 1 24  16  13 o 39.44783 8.472910  371.1736       152.7687 391.7933       
212.5966 349.1584       219.6721 40.47345 11.79436 38.42221 12.16774 2.051231 
16.94582 
1 1 1 24  16  14 o 64.47784 6.337705  935.3287       169.7017 978.5115       
227.8539 881.5365       254.3083 66.49721 8.161579 62.45849 9.698176 4.038719 
12.67541 
1 1 1 24  16  15 o 32.90594 7.884927  197.0966       150.3996 -32.71064      
213.4157 423.8346       211.9857 23.98248 10.63150 41.82940 11.64729 -17.84692 
15.76985 
1 1 1 24  16  16 o 84.69095 5.551912  1572.026       195.8919 1869.457       
293.5798 1333.327       263.0016 91.96940 7.603332 77.41249 8.092236 14.55691 
11.10382 
1 1 1 24  16  17 o 32.78667 9.016806  210.4628       178.5866 237.5051       
250.6907 182.5987       254.4709 33.68483 12.80839 31.88852 12.69473 1.796303 
18.03361 
1 1 1 24  16  18 o 57.23702 8.730800  818.0195       203.5895 876.9498       
293.1554 763.1192       282.9536 59.41245 12.17211 55.06158 12.51987 4.350868 
17.46160 
1 1 1 24  16  19 o 34.53282 9.111653  267.1109       176.5679 328.1184       
268.9569 220.9031       234.0715 36.80564 13.40537 32.26000 12.34443 4.545643 
18.22331 
1 1 1 24  16  20 o 25.08884 7.729955  -8.795712      158.6201 -142.3529      
221.8023 131.0093       226.9310 21.45128 10.01568 28.72640 11.77688 -7.275118 
15.45991 
1 1 1 24  16  21 o 57.37792 8.323630  864.8664       195.3071 614.9121       
291.1157 1069.454       263.3751 47.25874 13.81122 67.49711 9.294169 -20.23837 
16.64726 
1 1 1 24  16  22 o 26.01504 8.100663  13.80467       171.8087 120.3217       
263.2322 -65.24886      226.7724 29.01831 12.34064 23.01178 10.49722 6.006529 
16.20133 
1 1 1 24  16  23 o 26.11433 8.251468  0.4628406      184.7677 112.3139       
279.8325 -85.99271      246.0223 28.96090 12.52874 23.26777 10.74139 5.693130 
16.50294 
1 1 1 24  16  24 f 48.63257 9.196859  672.5818       198.6078 886.6100       
286.8126 475.4061       275.2895 57.04042 12.32633 40.22472 13.65248 16.81570 
18.39372 
1 1 1 24  16  25 o 23.58175 7.751497  -104.0438      187.7181 -235.1274      
260.9362 36.57084       270.2560 20.98353 10.09515 26.17997 11.76566 -5.196444 
15.50299 
1 1 1 24  16  26 o 30.52018 8.997283  224.0265       192.5440 262.1469       
269.3256 184.1752       275.3717 31.58551 12.86950 29.45485 12.57698 2.130653 
17.99457 
1 1 1 24  16  27 o 22.69785 7.573466  -111.9422      190.3098 -32.26805      
256.0465 -210.2868      284.4692 23.61863 10.92420 21.77706 10.49245 1.841574 
15.14693 
1 1 1 24  16  28 o 24.96706 8.083029  33.43475       191.7331 88.12769       
261.6691 -29.97280      281.7457 25.85970 11.60072 24.07442 11.25898 1.785284 
16.16606 
1 1 1 24  16  29 o 36.89421 9.464799  448.6198       211.0385 805.3599       
314.7300 157.1877       284.4664 46.65528 14.52778 27.13314 12.13562 19.52215 
18.92960 
1 1 1 24  16  30 o 19.53676 6.778260  -130.6095      133.8979 -3.645519      
314.6374 -158.6883      147.9651 23.77829 11.35319 15.29524 7.408397 8.483052 
13.55652 
1 1 1 24  16  31 o 23.72454 7.032680  143.0500       137.4184 -346.4111      
332.2417 244.0645       150.9339 19.73105 9.842902 27.71803 10.04747 -7.986980 
14.06536 
1 1 1 24  17  0  o 51.80071 7.979953  646.9738       164.5394 708.9819       
269.2229 610.0029       207.8820 53.10723 12.30566 50.49419 10.16314 2.613041 
15.95991 
1 1 1 24  17  1  o 30.47641 8.332486  175.3765       154.0717 99.15428       
237.8012 230.5212       202.2671 28.62081 11.92611 32.33201 11.63998 -3.711205 
16.66497 
1 1 1 24  17  2  o 24.38185 7.584634  -4.113406      143.6045 -18.18974      
247.7774 3.006438       176.2188 25.96847 11.49082 22.79523 9.902914 3.173243 
15.16927 
1 1 1 24  17  3  o 62.09560 6.965253  921.2676       169.1987 718.0648       
258.5413 1073.492       223.7730 54.46976 11.64547 69.72145 7.644732 -15.25169 
13.93051 
1 1 1 24  17  4  o 81.13449 5.362024  1431.868       181.5192 1618.965       
275.7532 1288.805       241.1304 85.71599 7.662665 76.55299 7.502584 9.163002 
10.72405 
1 1 1 24  17  5  o 57.72972 7.448006  712.6429       171.0964 436.1833       
214.6419 1194.454       283.3590 42.52650 11.67274 72.93295 9.254103 -30.40644 
14.89601 
1 1 1 24  17  6  o 77.04407 6.224627  1323.918       200.8657 1225.493       
284.1457 1422.234       283.9884 74.00156 9.145790 80.08658 8.446210 -6.085014 
12.44925 
1 1 1 24  17  7  o 42.33686 8.824977  442.7664       170.7367 514.1466       
220.1255 334.9763       270.5022 46.36979 11.37736 38.30394 13.49357 8.065845 
17.64995 
1 1 1 24  17  8  o 26.75650 8.067554  22.07111       165.6745 126.3743       
216.0407 -126.8411      258.1381 29.13770 11.66273 24.37530 11.15000 4.762402 
16.13511 
1 1 1 24  17  9  o 83.15585 6.012276  1522.762       207.2621 1223.400       
282.6186 1871.120       304.8705 74.04895 9.090815 92.26276 7.870639 -18.21381 
12.02455 
1 1 1 24  17  10 o 81.80065 5.486304  1436.450       186.0150 1686.238       
292.9952 1267.787       240.7600 87.52312 7.973679 76.07818 7.537811 11.44495 
10.97261 
1 1 1 24  17  11 f 43.24449 8.298742  449.4150       160.4664 599.5052       
226.2976 297.6254       227.5752 50.29498 11.01873 36.19401 12.41226 14.10097 
16.59748 
1 1 1 24  17  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  17  13 o 54.25182 8.398876  709.3607       185.7612 722.8253       
271.6750 697.5381       254.5704 54.58926 12.16840 53.91438 11.57992 0.6748886 
16.79775 
1 1 1 24  17  14 o 57.41431 7.756569  783.6033       180.9200 1037.243       
259.1833 542.5697       252.6602 67.93439 9.087376 46.89422 12.57287 21.04018 
15.51314 
1 1 1 24  17  15 o 44.89516 7.769208  483.9843       144.0140 493.3615       
221.7747 477.1470       189.3745 44.97064 11.65379 44.81969 10.27772 0.1509552 
15.53842 
1 1 1 24  17  16 o 71.64028 6.195345  1156.368       186.3251 1166.229       
262.8582 1146.408       264.1537 71.98269 8.697901 71.29787 8.824723 0.6848145 
12.39069 
1 1 1 24  17  17 o 47.19844 9.241385  569.7382       190.6204 500.4971       
271.2908 637.2579       267.8972 44.18375 13.43412 50.21312 12.69399 -6.029366 
18.48277 
1 1 1 24  17  18 o 39.91637 9.350228  407.1253       185.9721 313.1680       
285.9790 475.9746       244.8040 36.64147 13.74614 43.19127 12.67875 -6.549801 
18.70046 
1 1 1 24  17  19 o 33.22310 9.067019  237.2228       178.8429 258.9060       
267.3685 219.6655       240.5897 34.17529 13.16226 32.27090 12.47390 1.904388 
18.13404 
1 1 1 24  17  20 o 33.66127 8.776757  258.4114       174.3107 89.36256       
269.3420 380.2404       228.6511 28.86976 12.38635 38.45279 12.43801 -9.583033 
17.55351 
1 1 1 24  17  21 o 31.35457 8.080664  151.9409       156.8479 -68.51926      
209.0004 436.1975       237.3217 22.16990 10.10358 40.53925 12.61373 -18.36935 
16.16133 
1 1 1 24  17  22 o 21.91784 7.318849  -196.2477      177.2447 -84.36771      
260.8642 -292.1898      241.5699 24.12295 11.10719 19.71272 9.533755 4.410229 
14.63770 
1 1 1 24  17  23 o 36.89112 9.017345  332.6139       190.0331 83.98768       
263.1758 603.4687       274.6887 27.70693 12.07019 46.07532 13.40002 -18.36839 
18.03469 
1 1 1 24  17  24 o 38.83865 9.512460  422.8399       195.7233 268.9994       
266.5045 602.9680       288.3765 32.72488 13.00281 44.95242 13.88793 -12.22754 
19.02492 
1 1 1 24  17  25 o 25.59364 8.117280  -1.239896      185.8917 -143.6519      
256.8363 155.4391       269.3943 22.19680 10.46540 28.99047 12.41114 -6.793674 
16.23456 
1 1 1 24  17  26 o 25.42956 7.997937  51.65573       165.9041 10.81973       
209.3934 120.5209       271.9201 23.09332 10.36814 27.76579 12.18071 -4.672478 
15.99587 
1 1 1 24  17  27 o 25.25336 8.130684  29.16656       190.0139 -3.104583      
263.9102 63.90248       273.8032 24.43007 11.21630 26.07665 11.77398 -1.646584 
16.26137 
1 1 1 24  17  28 o 27.23959 8.142140  163.8319       162.8800 92.02790       
234.1004 231.2087       226.7687 25.28217 11.18046 29.19700 11.83956 -3.914825 
16.28428 
1 1 1 24  17  29 o 31.37289 8.129702  307.0033       136.5195 218.5758       
317.3743 327.0801       151.2253 28.78810 12.84859 33.95768 9.964030 -5.169573 
16.25940 
1 1 1 24  17  30 o 20.39495 7.094342  -213.5767      131.1502 240.2480       
318.7653 -306.0523      143.8933 27.89073 12.64256 12.89917 6.440832 14.99155 
14.18868 
1 1 1 24  17  31 f 26.42786 7.864787  220.8168       134.9117 210.8995       
335.0070 222.7365       147.3920 26.09529 12.22154 26.76043 9.902201 
-0.6651363     15.72957 
1 1 1 24  18  0  o 40.47034 8.416905  434.6638       157.7540 281.3265       
269.2690 514.7991       194.6590 34.99088 13.28342 45.94979 10.34059 -10.95890 
16.83381 
1 1 1 24  18  1  o 101.7294 5.606472  2328.074       235.2385 2299.479       
366.2077 2348.162       306.9395 100.5413 8.675694 102.9176 7.103692 -2.376350 
11.21294 
1 1 1 24  18  2  o 24.76395 7.599395  25.50097       138.5893 3.501815       
246.4912 35.67013       167.5872 26.27026 11.56043 23.25764 9.867105 3.012625 
15.19879 
1 1 1 24  18  3  o 57.15091 7.290149  756.3091       170.3408 884.0977       
256.8215 655.9361       227.6114 62.00645 9.865420 52.29537 10.73585 9.711086 
14.58030 
1 1 1 24  18  4  o 65.57356 6.347834  973.2715       172.2274 950.2268       
264.4347 990.2487       226.9684 64.47574 9.768843 66.67139 8.108620 -2.195656 
12.69567 
1 1 1 24  18  5  o 78.12628 6.041831  1363.805       198.0848 1416.645       
284.7430 1314.253       275.7423 79.60519 8.519865 76.64738 8.568942 2.957809 
12.08366 
1 1 1 24  18  6  o 32.92412 8.581294  224.9258       160.2252 135.2937       
243.2340 293.6329       212.9576 30.24183 12.26243 35.60641 12.00780 -5.364580 
17.16259 
1 1 1 24  18  7  o 52.89931 9.206989  711.0931       207.7954 881.3647       
282.1466 509.2652       307.1810 60.79485 11.47351 45.00379 14.40254 15.79106 
18.41398 
1 1 1 24  18  8  f 54.28910 8.599212  721.3947       190.6798 773.6384       
256.6832 657.0641       284.8322 57.13394 11.09704 51.44427 13.13931 5.689667 
17.19842 
1 1 1 24  18  9  o 57.63220 7.353060  767.9071       172.7908 774.2104       
260.2193 762.9360       231.0919 57.08225 11.25913 58.18215 9.460544 -1.099895 
14.70612 
1 1 1 24  18  10 o 84.16627 6.057062  1573.711       211.5873 1599.247       
325.2110 1554.967       278.6217 84.40192 9.177702 83.93062 7.907071 0.4712982 
12.11412 
1 1 1 24  18  11 o 52.42533 7.777245  670.6469       169.8254 910.5414       
235.1215 408.9852       245.5570 63.84436 8.771842 41.00631 12.84511 22.83806 
15.55449 
1 1 1 24  18  12 o 27.58512 8.085058  41.20594       164.3173 -132.4226      
236.1807 204.0905       228.7567 22.94251 10.56575 32.22774 12.24082 -9.285229 
16.17012 
1 1 1 24  18  13 f 70.65585 8.937941  1121.468       265.1335 0.000000       
0.000000 1121.468       265.1335 ?        ?        70.65585 8.937941 ? ? 
1 1 1 24  18  14 o 52.25074 13.93499  698.4445       311.3986 698.4445       
311.3986 0.000000       0.000000 52.25074 13.93499 ?        ?        ? ? 
1 1 1 24  18  15 o 24.48257 7.869980  -88.91939      167.0810 -127.3914      
205.4568 -13.79662      287.1004 21.16578 9.788156 27.79936 12.32633 -6.633581 
15.73996 
1 1 1 24  18  16 o 43.99919 7.713228  475.6104       141.8054 426.6265       
214.5920 513.5817       188.9355 41.54258 11.76805 46.45579 9.974391 -4.913208 
15.42646 
1 1 1 24  18  17 o 31.88948 9.012166  182.9774       182.9012 234.1900       
265.5652 136.7645       252.2695 33.63835 13.08408 30.14062 12.39691 3.497732 
18.02433 
1 1 1 24  18  18 o 20.05830 6.837064  -306.0006      167.0143 -206.2479      
262.5652 -373.7887      216.4470 22.55315 10.61819 17.56346 8.616016 4.989689 
13.67413 
1 1 1 24  18  19 o 26.00586 7.677610  -5.940415      155.8285 -232.0775      
216.9941 234.8593       223.9185 19.59252 9.372225 32.41920 12.16323 -12.82669 
15.35522 
1 1 1 24  18  20 f 34.92336 8.981477  299.5625       170.8808 273.3799       
256.9164 320.3347       228.8375 34.13679 12.97049 35.70992 12.42715 -1.573132 
17.96295 
1 1 1 24  18  21 o 27.33023 8.301486  79.63918       170.5093 75.02563       
257.9856 83.21761       227.2089 27.77140 12.02216 26.88906 11.45104 0.8823357 
16.60297 
1 1 1 24  18  22 o 41.58209 9.165590  464.1400       189.3284 685.1940       
274.1048 262.4579       261.8190 50.01888 12.95313 33.14531 12.97107 16.87357 
18.33118 
1 1 1 24  18  23 o 32.49651 9.188783  250.6713       190.0428 225.4756       
267.6451 276.2916       269.8913 31.66993 12.85426 33.32309 13.13404 -1.653160 
18.37757 
1 1 1 24  18  24 o 33.17586 9.076123  278.9430       187.7141 395.8288       
257.1323 145.5688       274.6703 37.17105 13.14965 29.18067 12.51362 7.990389 
18.15225 
1 1 1 24  18  25 o 35.88578 9.380405  352.2415       193.7740 194.5088       
259.7736 550.0974       290.9435 29.82656 12.44905 41.94500 14.03528 -12.11843 
18.76081 
1 1 1 24  18  26 o 27.05267 8.371941  31.87271       190.7962 -188.2687      
256.0923 306.5071       286.0377 21.19985 10.15082 32.90548 13.31610 -11.70563 
16.74388 
1 1 1 24  18  27 o 21.63288 7.329311  -202.1872      193.4955 -373.0135      
281.3288 -48.83007      266.5563 19.65580 9.681464 23.60995 11.00656 -3.954157 
14.65862 
1 1 1 24  18  28 f 22.86594 7.372852  33.39955       130.9189 -21.13981      
308.1425 45.41301       144.6207 24.90430 11.67403 20.82758 9.008488 4.076723 
14.74570 
1 1 1 24  18  29 f 21.77802 7.068909  22.18793       131.5812 -190.2957      
318.6449 65.86896       144.4743 22.31113 10.82664 21.24490 9.091847 1.066233 
14.13782 
1 1 1 24  18  30 o 25.74032 7.934972  139.4816       123.7836 317.8936       
320.5884 108.2231       134.1898 29.40620 13.03379 22.07443 9.054029 7.331764 
15.86994 
1 1 1 24  18  31 o 29.78551 8.188982  298.5143       128.4242 399.7798       
344.0503 282.1207       138.4296 29.32043 13.22057 30.25060 9.667169 
-0.9301624     16.37796 
1 1 1 24  19  0  o 39.91369 8.964559  393.1812       165.5479 536.8757       
271.8065 308.4410       208.7299 44.64958 13.42119 35.17779 11.88801 9.471790 
17.92912 
1 1 1 24  19  1  o 33.01322 8.546788  249.8952       152.6510 259.9600       
242.7374 243.3107       196.3337 33.71150 12.66089 32.31494 11.48443 1.396561 
17.09358 
1 1 1 24  19  2  o 56.12522 6.345779  695.4247       144.5952 833.7367       
244.3951 620.9347       179.3544 59.83640 9.728548 52.41404 8.150523 7.422363 
12.69156 
1 1 1 24  19  3  o 33.71124 7.699492  156.4996       153.0640 546.0281       
236.3513 -124.8807      200.8792 46.61823 12.00592 20.80425 9.642955 25.81398 
15.39898 
1 1 1 24  19  4  o 26.70138 7.828886  83.70552       140.0582 106.2124       
227.9915 70.06365       177.4997 28.40095 11.74603 25.00180 10.35358 3.399153 
15.65777 
1 1 1 24  19  5  o 58.31406 7.382028  808.8607       174.3041 655.7682       
248.9839 956.0005       244.0953 51.66365 11.74230 64.96448 8.949618 -13.30083 
14.76406 
1 1 1 24  19  6  o 31.44533 8.245450  201.0129       147.5554 129.8309       
211.6335 268.3491       205.8369 28.72412 11.52402 34.16654 11.79605 -5.442415 
16.49090 
1 1 1 24  19  7  o 44.07295 9.065601  476.6885       173.6918 449.3313       
219.4299 522.5898       284.2318 42.80230 11.82596 45.34361 13.74363 -2.541309 
18.13120 
1 1 1 24  19  8  o 28.44573 8.226574  68.81860       158.1412 -39.35043      
203.8467 232.3234       250.6210 23.20413 10.32842 33.68732 12.80741 -10.48319 
16.45315 
1 1 1 24  19  9  o 52.45712 7.283460  662.2636       155.8615 401.2325       
220.8299 921.3725       220.0154 40.55675 12.07848 64.35748 8.142823 -23.80074 
14.56692 
1 1 1 24  19  10 o 72.87296 5.521700  1161.855       167.9085 1339.757       
253.4143 1022.630       224.1809 77.81125 7.757285 67.93465 7.860104 9.876595 
11.04340 
1 1 1 24  19  11 o 30.17312 8.659414  134.3191       162.1021 163.0545       
286.7912 120.8288       196.5028 32.45268 13.26102 27.89357 11.13944 4.559111 
17.31883 
1 1 1 24  19  12 o 59.02420 8.185410  869.6844       192.3663 666.3386       
301.4007 1009.452       249.8794 51.09647 13.74687 66.95193 8.889727 -15.85546 
16.37082 
1 1 1 24  19  13 o 35.10599 9.283891  268.5331       182.5078 241.2218       
293.6566 285.7218       232.9649 34.89520 13.71709 35.31677 12.51415 
-0.4215698     18.56778 
1 1 1 24  19  14 o 45.17003 9.285771  514.1437       205.2924 236.9833       
296.4501 769.5333       284.5690 34.72759 13.74053 55.61246 12.49400 -20.88487 
18.57154 
1 1 1 24  19  15 o 45.37580 15.19116  545.4243       340.8379 0.000000       
0.000000 545.4243       340.8379 ?        ?        45.37580 15.19116 ? ? 
1 1 1 24  19  16 f 38.82832 9.117785  280.0717       208.1838 697.9792       
306.7766 -76.67069      283.4390 51.59674 13.86328 26.05989 11.84675 25.53685 
18.23557 
1 1 1 24  19  17 o 40.81540 8.912626  413.2488       162.6428 469.0752       
273.6466 382.7560       202.2408 42.41983 13.59550 39.21096 11.52831 3.208866 
17.82525 
1 1 1 24  19  18 o 38.53193 8.878169  367.9390       167.7639 483.9324       
246.7767 268.2686       228.7549 43.17716 12.74734 33.88670 12.36094 9.290462 
17.75634 
1 1 1 24  19  19 o 36.56147 8.415545  318.9917       169.6429 65.42818       
250.6806 533.2255       230.4206 27.56280 11.89018 45.56013 11.91256 -17.99734 
16.83109 
1 1 1 24  19  20 o 31.02139 8.615172  196.8969       168.7762 95.62813       
254.7446 276.1259       225.3249 28.32528 12.09578 33.71750 12.27098 -5.392221 
17.23034 
1 1 1 24  19  21 o 37.13361 8.877069  324.7668       164.5163 541.8271       
272.2023 199.8452       206.5002 44.15287 13.46303 30.11435 11.57394 14.03852 
17.75414 
1 1 1 24  19  22 o 35.50181 9.313795  332.9809       185.5974 357.2287       
257.5885 306.8020       267.6492 36.41870 13.13326 34.58492 13.21002 1.833786 
18.62759 
1 1 1 24  19  23 o 25.28254 7.859811  41.72445       161.9135 -15.45620      
245.7863 85.56277       215.2088 24.56977 11.12116 25.99531 11.10974 -1.425537 
15.71962 
1 1 1 24  19  24 o 28.44006 8.473177  95.32369       183.4270 -98.05325      
252.0172 313.1631       267.4829 22.92441 10.69286 33.95572 13.14693 -11.03131 
16.94635 
1 1 1 24  19  25 o 22.28988 7.449980  -144.0629      184.7590 -132.0412      
251.6913 -158.1105      272.0749 22.08193 10.39624 22.49783 10.67366 
-0.4159012     14.89996 
1 1 1 24  19  26 o 28.54083 8.641980  159.4632       186.3493 232.5417       
265.2409 88.23225       261.8669 30.47733 12.64092 26.60433 11.78738 3.872993 
17.28396 
1 1 1 24  19  27 o 25.13765 7.934027  28.03791       128.7710 286.8634       
311.3401 -25.37589      141.4355 31.71906 13.45248 18.55625 8.415808 13.16281 
15.86805 
1 1 1 24  19  28 o 29.64811 7.921618  242.9897       122.2927 179.1985       
310.6132 254.6920       133.0378 28.59060 12.73706 30.70561 9.422068 -2.115007 
15.84324 
1 1 1 24  19  29 o 29.30049 7.233996  261.6035       114.5641 84.28601       
263.5709 302.9078       127.2094 25.09421 11.41209 33.50677 8.893086 -8.412554 
14.46799 
1 1 1 24  19  30 o 30.75004 7.091130  333.1620       135.9643 -139.4810      
321.7826 435.8855       150.0136 22.11481 10.77222 39.38527 9.224741 -17.27045 
14.18226 
1 1 1 24  19  31 o 22.68124 7.179321  107.7393       131.7080 34.76205       
281.3843 128.2137       149.0432 22.78040 10.82996 22.58208 9.427759 0.1983223 
14.35864 
1 1 1 24  20  0  o 70.06790 5.667932  1115.113       165.1112 1044.074       
216.4439 1213.991       255.3562 67.72163 7.612706 72.41416 8.399317 -4.692528 
11.33586 
1 1 1 24  20  1  o 30.39088 8.209743  198.2011       145.7067 226.3217       
214.0422 173.9162       198.9096 31.60332 11.88509 29.17845 11.32891 2.424864 
16.41949 
1 1 1 24  20  2  o 33.09743 8.337227  261.3407       146.9699 219.6965       
223.2133 293.2114       195.2716 31.69263 12.07579 34.50222 11.49837 -2.809587 
16.67445 
1 1 1 24  20  3  o 45.10685 8.088622  492.8693       151.9151 634.3425       
241.7972 400.6071       195.2657 50.19106 11.68302 40.02264 11.18974 10.16842 
16.17724 
1 1 1 24  20  4  o 26.72748 7.564984  103.9227       136.5236 -61.85348      
228.6555 195.7606       170.1890 23.64994 10.71457 29.80502 10.68242 -6.155075 
15.12997 
1 1 1 24  20  5  o 37.37343 8.860779  337.0578       168.5234 448.2920       
240.1838 229.1960       236.5148 41.98404 12.61560 32.76282 12.44590 9.221218 
17.72156 
1 1 1 24  20  6  o 31.72855 8.304823  214.9208       150.0622 275.1937       
198.4503 134.4371       229.3215 34.15972 11.59158 29.29737 11.89603 4.862343 
16.60965 
1 1 1 24  20  7  f 27.48059 8.294410  21.94870       163.2273 -66.48597      
201.3327 191.5591       278.8235 22.22965 10.06346 32.73154 13.18771 -10.50189 
16.58882 
1 1 1 24  20  8  o 26.74785 7.920762  -38.61279      157.3361 -218.4955      
199.2657 259.1989       256.3945 18.95502 9.046634 34.54068 13.00432 -15.58566 
15.84152 
1 1 1 24  20  9  o 71.45874 5.545011  1063.688       160.5050 1451.294       
274.5134 862.3513       197.8471 80.56243 8.116188 62.35506 7.557517 18.20737 
11.09002 
1 1 1 24  20  10 o 34.84275 8.654617  242.0021       148.6607 415.8239       
268.3824 165.0637       178.5555 40.78352 13.48012 28.90197 10.85799 11.88155 
17.30923 
1 1 1 24  20  11 o 32.21837 8.608626  136.1368       166.9675 413.4669       
273.5502 -28.53180      210.7871 40.67329 13.60929 23.76345 10.54614 16.90984 
17.21725 
1 1 1 24  20  12 o 57.00502 8.611075  752.8997       194.2993 1036.864       
329.2111 601.1138       240.6901 64.65772 12.57641 49.35232 11.76590 15.30540 
17.22215 
1 1 1 24  20  13 o 31.32315 8.825803  174.7099       176.0130 94.40935       
277.3047 228.8889       227.7790 29.89325 12.68792 32.75305 12.27175 -2.859802 
17.65161 
1 1 1 24  20  14 o 27.98220 8.604648  -76.05191      202.1926 241.2511       
302.3310 -332.8089      271.9611 34.73589 13.83434 21.22851 10.23576 13.50738 
17.20930 
1 1 1 24  20  15 o 30.17171 9.339689  39.86868       227.2244 147.6823       
328.4233 -59.12505      314.7032 32.68887 13.83781 27.65456 12.54728 5.034306 
18.67938 
1 1 1 24  20  16 o 38.47031 9.956560  363.4912       212.2710 285.5375       
298.1676 443.6035       302.2676 35.71397 13.86962 41.22665 14.28867 -5.512688 
19.91312 
1 1 1 24  20  17 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  20  18 o 37.41517 8.852974  347.5909       173.5680 187.8511       
249.6639 497.0123       241.4658 31.19956 12.51688 43.63079 12.52311 -12.43123 
17.70595 
1 1 1 24  20  19 o 38.86679 9.080590  396.7115       174.4885 328.6940       
251.3484 459.9835       242.4215 36.07281 12.97671 41.66077 12.70565 -5.587967 
18.16118 
1 1 1 24  20  20 o 31.06089 8.594805  202.3339       168.4735 91.23000       
254.7195 288.7341       224.6234 28.06192 12.04279 34.05985 12.26597 -5.997929 
17.18961 
1 1 1 24  20  21 o 34.94152 9.314838  311.9174       186.5307 285.8550       
259.2269 339.9010       268.6118 33.93571 12.98932 35.94733 13.35449 -2.011616 
18.62968 
1 1 1 24  20  22 o 20.50636 6.991432  -268.0892      179.2423 -198.6005      
238.1501 -358.8877      272.2279 20.81561 9.924008 20.19711 9.850612 0.6185055 
13.98286 
1 1 1 24  20  23 o 49.85741 8.697862  683.8287       179.0672 682.9799       
232.6069 685.0634       280.5586 50.93628 11.18159 48.77855 13.32604 2.157734 
17.39572 
1 1 1 24  20  24 o 39.58737 9.006171  442.0617       189.0534 690.2911       
268.1709 196.8050       266.5602 49.00431 12.86915 30.17043 12.60276 18.83387 
18.01234 
1 1 1 24  20  25 o 37.19807 8.964828  393.3666       189.0599 631.3164       
263.3725 140.3970       271.5575 46.02440 13.03701 28.37173 12.30890 17.65267 
17.92966 
1 1 1 24  20  26 o 22.67393 6.889437  69.53484       110.8961 -70.79745      
241.3564 107.0890       124.8558 22.45350 10.46974 22.89435 8.957784 
-0.4408550     13.77887 
1 1 1 24  20  27 o 20.18366 6.961215  -138.8817      118.0379 24.70772       
314.8481 -165.6351      127.3246 26.13813 12.09881 14.22918 6.888601 11.90895 
13.92243 
1 1 1 24  20  28 o 24.37389 7.684599  78.67121       130.8868 107.5746       
311.4540 72.47189       144.2421 27.04618 12.32801 21.70161 9.177825 5.344572 
15.36920 
1 1 1 24  20  29 o 21.80217 7.194450  10.53662       130.3360 -47.59553      
321.6196 21.95940       142.5674 24.02983 11.47453 19.57450 8.681916 4.455326 
14.38890 
1 1 1 24  20  30 o 26.74829 7.691881  219.9868       135.4501 118.0954       
286.0464 249.4369       153.7841 24.97756 11.55033 28.51902 10.16120 -3.541464 
15.38376 
1 1 1 24  20  31 o 25.28465 7.540811  194.4124       131.1707 177.4269       
261.7948 200.1059       151.5686 25.03584 11.38235 25.53346 9.894315 
-0.4976158     15.08162 
1 1 1 24  21  0  o 53.44440 7.067467  701.2440       155.1391 624.9459       
213.5937 786.4410       225.7066 49.62423 10.56689 57.26456 9.388137 -7.640331 
14.13493 
1 1 1 24  21  1  o 29.39295 8.031972  183.4113       142.7297 127.1796       
207.7638 233.6674       196.4146 27.46901 11.26618 31.31689 11.45092 -3.847874 
16.06394 
1 1 1 24  21  2  o 35.91143 8.383428  329.0016       145.7948 338.0162       
223.0050 322.2724       192.6743 36.21906 12.28780 35.60381 11.40778 0.6152496 
16.76686 
1 1 1 24  21  3  o 47.63696 7.925797  569.5857       156.3636 675.8984       
229.8046 477.9339       213.3716 52.09259 10.86374 43.18134 11.54349 8.911243 
15.85159 
1 1 1 24  21  4  o 29.73048 7.886484  119.1787       135.6078 367.5681       
234.2250 -6.061747      166.3179 37.87597 12.59313 21.58498 9.497352 16.29099 
15.77297 
1 1 1 24  21  5  o 36.52844 8.624544  330.5202       156.6205 271.9646       
218.5276 392.3676       224.5862 33.85786 12.10779 39.19902 12.28546 -5.341164 
17.24909 
1 1 1 24  21  6  o 34.64997 8.226809  277.8976       146.4002 166.7486       
200.7350 404.2000       213.9815 29.28990 11.37901 40.01005 11.88443 -10.72015 
16.45362 
1 1 1 24  21  7  o 24.66898 7.518559  -98.32392      150.8837 -295.7662      
193.0399 211.7036       241.8952 17.20821 8.374334 32.12975 12.48941 -14.92154 
15.03712 
1 1 1 24  21  8  o 33.82074 8.727418  195.9828       180.3779 -39.89074      
246.0538 470.0076       265.2072 25.05342 11.24389 42.58806 13.35089 -17.53463 
17.45484 
1 1 1 24  21  9  o 34.96130 8.697893  284.2755       149.9840 284.6856       
278.9623 284.1088       177.8815 35.54377 13.51248 34.37882 10.95566 1.164951 
17.39579 
1 1 1 24  21  10 o 21.03601 7.005312  -185.6451      143.3780 -52.88900      
258.9118 -244.3631      172.1909 25.41079 11.46262 16.66122 8.056417 8.749571 
14.01062 
1 1 1 24  21  11 o 45.26178 9.431103  497.2448       184.0684 673.2562       
317.1339 407.8276       226.0387 50.24308 14.32956 40.28048 12.26566 9.962605 
18.86221 
1 1 1 24  21  12 o 26.17165 8.015995  8.416482       170.6451 -178.0511      
267.9283 135.6820       221.3463 23.36284 10.93965 28.98046 11.71959 -5.617615 
16.03199 
1 1 1 24  21  13 o 33.88104 9.766954  214.8074       216.8638 184.6065       
344.7284 234.5873       278.9835 33.95205 14.26506 33.81004 13.34472 0.1420021 
19.53391 
1 1 1 24  21  14 o 30.39454 8.965623  121.6020       192.3770 216.4936       
276.7884 32.92587       267.5701 33.11064 13.22136 27.67844 12.11302 5.432201 
17.93125 
1 1 1 24  21  15 o 43.39426 10.41051  511.0483       227.3826 555.8232       
304.2755 454.4204       342.1881 45.34496 14.31638 41.44356 15.11808 3.901398 
20.82103 
1 1 1 24  21  16 o 24.28164 7.963069  -137.8370      195.0355 -98.78170      
276.0402 -176.7689      275.6041 25.00761 11.47715 23.55567 11.04160 1.451944 
15.92614 
1 1 1 24  21  17 o 37.07106 9.362794  349.6944       184.7162 379.1976       
240.2360 307.0273       288.9012 38.33163 12.75369 35.81050 13.71098 2.521130 
18.72559 
1 1 1 24  21  18 o 27.28223 11.80901  62.63236       248.8637 0.000000       
0.000000 62.63236       248.8637 ?        ?        27.28223 11.80901 ? ? 
1 1 1 24  21  19 o 27.76035 11.83654  93.43128       243.2893 93.43128       
243.2893 0.000000       0.000000 27.76035 11.83654 ?        ?        ? ? 
1 1 1 24  21  20 o 26.48915 7.894719  40.35729       157.7168 232.6202       
235.9939 -114.8241      212.0180 31.81183 12.34224 21.16647 9.847612 10.64537 
15.78944 
1 1 1 24  21  21 o 27.41189 8.279866  82.93828       174.7102 191.2507       
238.3821 -42.75728      256.7997 30.19946 12.18297 24.62431 11.21606 5.575153 
16.55973 
1 1 1 24  21  22 o 33.52342 9.150935  283.7146       182.1401 230.5861       
245.8775 348.3222       271.1418 31.38583 12.48359 35.66101 13.38352 -4.275175 
18.30187 
1 1 1 24  21  23 o 26.42558 8.282409  54.40347       182.9863 46.92078       
254.7581 62.37827       263.0020 26.10609 11.58889 26.74508 11.83600 
-0.6389961     16.56482 
1 1 1 24  21  24 o 22.77073 7.549914  -110.5364      182.3303 -57.24340      
246.1049 -175.3783      271.4642 23.28951 10.74829 22.25194 10.60562 1.037563 
15.09983 
1 1 1 24  21  25 o 42.81647 8.064363  472.7020       122.3041 586.1231       
296.9103 449.5238       134.2204 42.49987 14.17848 43.13308 7.688084 
-0.6332092     16.12873 
1 1 1 24  21  26 o 24.46349 7.839775  -16.47869      186.6923 -297.1221      
302.7748 155.6754       237.1380 21.39233 10.42546 27.53466 11.71145 -6.142328 
15.67955 
1 1 1 24  21  27 o 20.93155 7.012189  -56.70097      128.3102 -79.68940      
307.5314 -51.85575      141.1860 24.12949 11.40050 17.73360 8.167723 6.395885 
14.02438 
1 1 1 24  21  28 o 30.50990 8.614576  210.1258       133.6766 493.7314       
315.0132 147.8394       147.6278 36.21721 14.21655 24.80259 9.733103 11.41462 
17.22915 
1 1 1 24  21  29 o 27.07177 8.005836  187.1355       133.0878 249.1853       
295.1177 171.2950       149.1110 28.73035 12.64618 25.41319 9.820780 3.317152 
16.01167 
1 1 1 24  21  30 o 40.49030 7.048898  507.2277       115.1583 452.0050       
223.1616 527.2697       134.4412 34.95159 12.26165 46.02901 6.956999 -11.07742 
14.09780 
1 1 1 24  21  31 f 17.66295 6.147827  -167.6473      129.7808 -39.00061      
254.3155 -212.9463      150.9099 21.00772 10.07247 14.31818 7.051839 6.689539 
12.29565 
1 1 1 24  22  0  o 24.75298 7.548212  56.81209       143.0038 109.2473       
210.9372 12.21532       194.5331 26.50617 11.14868 22.99978 10.17885 3.506386 
15.09642 
1 1 1 24  22  1  o 26.29892 7.497593  91.90908       139.7938 -78.68301      
205.3066 239.3653       190.8777 21.41654 9.857949 31.18130 11.29940 -9.764753 
14.99519 
1 1 1 24  22  2  o 22.44685 6.999041  -6.012831      122.8999 76.64943       
208.5355 -50.00315      152.1265 25.73897 10.96611 19.15472 8.700044 6.584242 
13.99808 
1 1 1 24  22  3  o 41.48127 7.683803  448.8134       135.7103 383.4349       
213.4575 493.1684       175.8186 38.16154 11.98058 44.80100 9.624396 -6.639462 
15.36761 
1 1 1 24  22  4  o 22.38453 6.795818  15.45169       119.2878 -78.76894      
176.3386 94.94552       161.9724 20.05766 9.191906 24.71140 10.01207 -4.653749 
13.59164 
1 1 1 24  22  5  o 41.53243 8.493296  447.9782       156.3844 422.9574       
216.5302 475.2601       226.1022 40.38647 11.94607 42.67840 12.07624 -2.291931 
16.98659 
1 1 1 24  22  6  o 19.85160 6.600433  -153.7929      140.1820 -188.9963      
215.9841 -128.1695      184.2668 20.19559 9.547621 19.50760 9.116238 0.6879883 
13.20087 
1 1 1 24  22  7  o 30.56314 8.573700  146.0856       170.4833 317.6223       
255.1123 7.663981       229.1685 35.92774 13.05872 25.19854 11.11320 10.72920 
17.14740 
1 1 1 24  22  8  o 31.72248 9.168262  174.0728       190.2276 241.9938       
301.3414 129.0742       245.2765 34.14245 13.72904 29.30250 12.15490 4.839954 
18.33652 
1 1 1 24  22  9  o 35.67880 7.894778  308.2988       158.1633 -7.202622      
253.6846 508.9195       202.2932 25.99151 11.54791 45.36609 10.76828 -19.37458 
15.78956 
1 1 1 24  22  10 o 46.24824 8.975218  553.5659       168.7939 544.3192       
324.0722 557.0082       197.7327 44.57087 14.81282 47.92561 10.13896 -3.354736 
17.95044 
1 1 1 24  22  11 o 60.75062 8.108379  879.2260       200.4711 1147.002       
313.5090 693.9985       260.7455 69.23303 10.78593 52.26821 12.10979 16.96482 
16.21676 
1 1 1 24  22  12 o 37.20768 9.504668  295.9974       196.3762 546.7932       
309.5795 127.1376       254.0243 44.82613 14.47005 29.58923 12.32771 15.23689 
19.00934 
1 1 1 24  22  13 o 50.85742 9.035370  668.6618       191.0089 701.8693       
295.1373 644.7281       250.5588 51.39486 13.50243 50.31998 12.00983 1.074883 
18.07074 
1 1 1 24  22  14 o 36.22210 9.860605  311.5176       212.4621 261.7061       
324.0667 349.0683       281.3702 35.09301 14.18507 37.35119 13.70073 -2.258183 
19.72121 
1 1 1 24  22  15 o 31.45515 9.012845  182.1367       188.4727 253.5446       
256.7105 98.63811       277.5941 33.52484 12.90026 29.38547 12.59003 4.139376 
18.02569 
1 1 1 24  22  16 o 30.68417 8.931403  143.5779       184.4535 51.76260       
239.9909 276.0981       288.3225 26.70504 11.57839 34.66330 13.60223 -7.958260 
17.86281 
1 1 1 24  22  17 o 32.66568 9.025137  230.7952       186.7602 329.9257       
243.6976 89.72086       290.7178 35.99209 12.79456 29.33928 12.73231 6.652809 
18.05027 
1 1 1 24  22  18 o 46.31984 8.782375  570.0321       179.2081 413.9330       
248.9877 737.8139       258.1368 39.24922 12.98392 53.39045 11.82955 -14.14123 
17.56475 
1 1 1 24  22  19 o 23.78017 7.621881  -67.43823      167.9341 -187.5357      
233.7005 60.78778       241.4798 20.93590 9.913568 26.62445 11.57987 -5.688551 
15.24376 
1 1 1 24  22  20 o 29.16403 11.48079  181.5292       205.9893 0.000000       
0.000000 181.5292       205.9893 ?        ?        29.16403 11.48079 ? ? 
1 1 1 24  22  21 o 30.14080 7.643842  158.6065       148.7920 -113.6181      
213.8644 413.9913       207.1439 21.07149 9.836986 39.21012 11.70244 -18.13863 
15.28768 
1 1 1 24  22  22 o 44.25759 8.685686  527.0682       165.3419 670.4864       
262.3344 432.5497       212.9665 48.84929 12.68213 39.66590 11.87131 9.183392 
17.37137 
1 1 1 24  22  23 o 24.50898 7.907055  -20.99171      181.1858 15.26953       
250.4320 -60.82037      262.4619 25.06715 11.29233 23.95082 11.07110 1.116333 
15.81411 
1 1 1 24  22  24 o 29.61860 8.081269  3.368618       116.1156 612.4619       
305.4451 -99.52462      125.5407 43.53792 14.38081 15.69928 7.376983 27.83864 
16.16254 
1 1 1 24  22  25 o 47.78969 8.102810  620.7853       136.9204 663.6990       
313.5186 610.6716       152.2020 44.48764 14.56963 51.09173 7.095629 -6.604088 
16.20562 
1 1 1 24  22  26 o 28.44061 8.154745  185.1027       127.8048 238.0015       
303.9014 173.7368       140.8674 30.46378 13.11604 26.41743 9.693761 4.046354 
16.30949 
1 1 1 24  22  27 o 23.55416 7.612666  15.37725       129.3880 168.7710       
306.3739 -17.91996      142.7421 28.39976 12.65101 18.70856 8.471289 9.691198 
15.22533 
1 1 1 24  22  28 o 23.19598 7.282343  75.35590       128.5388 -38.23796      
292.4500 102.5544       143.1022 23.73202 11.18284 22.65993 9.331351 1.072088 
14.56469 
1 1 1 24  22  29 o 28.93509 7.932405  251.1978       128.7775 286.2757       
255.2885 239.2255       149.1434 29.33276 12.29778 28.53741 10.02281 0.7953472 
15.86481 
1 1 1 24  22  30 o 23.54622 7.124707  106.6768       112.1691 263.1602       
216.3228 49.13081       131.1824 27.72414 11.45232 19.36830 8.478810 8.355837 
14.24941 
1 1 1 24  22  31 o 19.75825 6.670940  -74.33216      119.8719 186.9833       
255.2349 -148.2834      135.7782 25.06239 11.33911 14.45412 7.030675 10.60827 
13.34188 
1 1 1 24  23  0  o 26.78422 7.804410  136.0651       141.6983 154.5258       
206.5389 119.6496       194.7625 27.53741 11.25330 26.03103 10.81658 1.506374 
15.60882 
1 1 1 24  23  1  o 34.93882 8.205606  328.1254       144.6217 237.6015       
207.4916 413.6528       201.6840 30.89148 11.68002 38.98615 11.52844 -8.094667 
16.41121 
1 1 1 24  23  2  o 27.06907 7.644367  144.2248       133.0050 87.94901       
200.5768 188.3909       177.6907 25.52234 10.80960 28.61580 10.81194 -3.093462 
15.28873 
1 1 1 24  23  3  o 49.67691 6.963008  614.0823       141.6079 558.5757       
209.3337 660.9131       192.2792 46.45679 10.90740 52.89702 8.658092 -6.440224 
13.92602 
1 1 1 24  23  4  o 34.29175 8.038257  284.7789       139.8214 431.1122       
210.6568 169.5452       186.9362 40.29267 11.74003 28.29083 10.98299 12.00184 
16.07651 
1 1 1 24  23  5  o 44.69019 8.816452  537.0842       171.1719 552.6487       
254.3496 524.1995       231.4190 44.99411 12.83311 44.38626 12.09258 0.6078491 
17.63290 
1 1 1 24  23  6  o 32.44893 8.769521  205.9721       156.7868 388.2813       
284.8315 126.7185       187.7990 38.03095 13.80084 26.86690 10.82381 11.16405 
17.53904 
1 1 1 24  23  7  o 51.76316 9.675479  727.9940       219.6190 980.3485       
325.0999 516.1555       297.8611 60.61361 13.14483 42.91272 14.20116 17.70090 
19.35096 
1 1 1 24  23  8  o 32.27837 9.066451  202.5234       181.6373 327.5582       
288.7324 120.6332       233.6664 36.19804 13.75120 28.35870 11.81976 7.839340 
18.13290 
1 1 1 24  23  9  o 31.34652 7.762814  229.9946       143.1809 -30.95306      
254.9109 350.2684       173.0602 25.25720 11.38459 37.43583 10.55634 -12.17863 
15.52563 
1 1 1 24  23  10 o 27.11395 8.131496  68.97748       169.4297 -187.7681      
305.8069 182.6957       203.5217 24.53950 11.52589 29.68839 11.47339 -5.148891 
16.26299 
1 1 1 24  23  11 o 27.22179 8.192921  77.31447       161.1962 121.8596       
255.2164 47.75037       207.9175 29.19980 12.27151 25.24379 10.85844 3.956017 
16.38584 
1 1 1 24  23  12 o 51.21706 9.123151  620.7737       191.7045 1015.499       
335.7828 429.8990       233.4992 61.92442 13.29850 40.50971 12.49309 21.41471 
18.24630 
1 1 1 24  23  13 o 48.75639 9.214830  602.1281       197.4464 911.8138       
310.2241 391.2582       255.9895 58.91029 12.89688 38.60248 13.16522 20.30781 
18.42966 
1 1 1 24  23  14 o 29.45224 8.444024  79.43250       172.5562 -104.1674      
224.7332 343.1553       269.3424 22.24029 10.26671 36.66418 13.40898 -14.42389 
16.88805 
1 1 1 24  23  15 o 42.21313 9.209546  490.0953       183.9481 566.1577       
238.8205 379.1513       288.4288 46.50089 12.11348 37.92537 13.87539 8.575520 
18.41909 
1 1 1 24  23  16 o 33.91155 9.411696  266.6216       197.1861 320.3090       
274.0689 209.0060       283.9183 35.63037 13.43785 32.19274 13.18121 3.437634 
18.82339 
1 1 1 24  23  17 o 46.35372 9.986217  563.4581       206.3415 421.0250       
254.8586 834.4775       351.5556 39.33964 13.13610 53.36781 15.04463 -14.02817 
19.97243 
1 1 1 24  23  18 o 36.53170 8.797349  344.4460       163.2936 255.1428       
220.4444 453.0257       243.0746 32.38890 12.08496 40.67450 12.78777 -8.285606 
17.59470 
1 1 1 24  23  19 o 26.74337 7.992307  100.6069       154.3524 103.0917       
212.3135 97.82134       224.7955 26.61413 11.18911 26.87262 11.41541 
-0.2584896     15.98461 
1 1 1 24  23  20 o 28.80478 8.107281  172.5532       147.7104 217.6655       
214.0120 131.5122       204.1266 30.46817 11.76731 27.14140 11.15538 3.326771 
16.21456 
1 1 1 24  23  21 o 28.37439 8.025923  149.9847       149.9314 274.9865       
217.9177 37.62502       206.6044 32.56469 12.04232 24.18409 10.61340 8.380594 
16.05185 
1 1 1 24  23  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  23  23 o 50.95107 8.481686  683.9279       143.0346 786.0117       
354.6408 664.0959       156.3120 48.26548 15.47811 53.63667 6.941474 -5.371197 
16.96337 
1 1 1 24  23  24 o 29.25506 7.872243  222.8176       131.2852 56.18422       
299.1578 262.5640       146.1061 26.95677 12.23193 31.55335 9.913062 -4.596581 
15.74449 
1 1 1 24  23  25 o 26.47786 8.048803  94.12057       124.3556 283.3098       
304.7001 56.31024       136.2165 31.86491 13.40081 21.09080 8.919145 10.77411 
16.09761 
1 1 1 24  23  26 o 31.17605 8.559665  124.2384       127.0584 650.3662       
321.3831 26.76983       138.3279 42.38243 14.72929 19.96968 8.724640 22.41275 
17.11933 
1 1 1 24  23  27 o 25.49187 7.522570  145.3553       128.2176 7.736821       
285.5887 180.0970       143.4920 24.61523 11.44328 26.36850 9.767685 -1.753273 
15.04514 
1 1 1 24  23  28 o 20.59756 6.603642  4.754860       114.0958 67.82904       
206.4935 -22.96434      136.8898 23.24415 10.36934 17.95097 8.179795 5.293177 
13.20728 
1 1 1 24  23  29 o 27.64813 7.474878  217.3380       112.7992 297.2383       
208.4111 184.2357       134.1456 29.69051 11.58220 25.60576 9.452401 4.084747 
14.94976 
1 1 1 24  23  30 o 19.59505 6.565094  -25.25739      120.0094 40.31859       
255.3554 -43.84727      135.9600 22.45539 10.54423 16.73470 7.824390 5.720680 
13.13019 
1 1 1 24  24  0  o 38.86526 8.061995  473.2508       171.1772 91.80434       
298.7827 659.6288       208.8508 27.69213 12.41010 50.03838 10.29429 -22.34624 
16.12399 
1 1 1 24  24  1  o 45.13540 8.527988  603.4420       170.4567 448.9056       
269.6123 706.3431       220.0062 38.33206 13.47461 51.93875 10.45663 -13.60669 
17.05598 
1 1 1 24  24  2  f 31.90755 7.844286  237.6266       134.5667 416.1956       
208.6716 110.4994       176.0676 38.66145 11.78751 25.15365 10.35307 13.50780 
15.68857 
1 1 1 24  24  3  o 29.00731 8.040793  153.9410       139.6213 325.4377       
237.8271 63.74981       172.4707 34.52362 12.60265 23.49100 9.989531 11.03262 
16.08159 
1 1 1 24  24  4  o 26.08329 7.868526  92.58917       149.9393 5.946080       
262.9365 134.3412       182.5252 25.65230 11.56256 26.51428 10.67530 
-0.8619823     15.73705 
1 1 1 24  24  5  o 31.31430 8.242764  240.5397       143.8372 220.8925       
230.9946 252.9821       183.8241 30.92731 12.16315 31.70129 11.12791 
-0.7739716     16.48553 
1 1 1 24  24  6  o 45.82327 8.932131  592.6564       181.1448 471.7208       
281.2513 678.3859       236.8003 40.58860 13.79952 51.05795 11.34482 -10.46935 
17.86426 
1 1 1 24  24  7  o 48.87303 9.967249  677.1653       215.7583 571.4963       
287.9992 812.3346       325.7290 44.63823 13.89664 53.10784 14.29222 -8.469608 
19.93450 
1 1 1 24  24  8  o 40.89021 9.060728  443.3112       184.7639 657.5023       
267.3687 247.5330       255.6183 49.16143 12.82195 32.61898 12.80565 16.54245 
18.12146 
1 1 1 24  24  9  o 30.68512 8.503855  206.4903       160.5441 91.62206       
286.1862 259.2385       193.9335 28.94968 12.59899 32.42057 11.42487 -3.470892 
17.00771 
1 1 1 24  24  10 o 52.47798 8.269154  619.7678       157.3559 943.2116       
325.5892 521.1956       179.7414 58.81192 13.46949 46.14404 9.596270 12.66788 
16.53831 
1 1 1 24  24  11 o 31.64889 8.535174  184.9953       179.6172 -80.87370      
268.2388 401.1103       241.8412 24.59385 11.29838 38.70392 12.79623 -14.11007 
17.07035 
1 1 1 24  24  12 o 75.56303 6.336444  1332.951       200.1857 1258.066       
268.7335 1426.314       300.0606 73.40504 8.720010 77.72102 9.195844 -4.315979 
12.67289 
1 1 1 24  24  13 o 22.01917 7.381310  -259.3760      178.8105 -423.8794      
230.9261 -13.06250      282.5724 17.52748 8.645771 26.51085 11.96602 -8.983368 
14.76262 
1 1 1 24  24  14 o 43.61902 9.703375  530.5281       196.7217 495.9435       
262.0927 575.1517       297.7117 42.37079 13.27017 44.86724 14.16067 -2.496456 
19.40675 
1 1 1 24  24  15 o 32.16942 8.783977  152.9601       181.0012 -56.92021      
232.9680 472.5849       287.4952 23.43327 10.67607 40.90557 13.95186 -17.47231 
17.56795 
1 1 1 24  24  16 o 27.64097 8.222157  63.87603       180.1074 255.8701       
234.7293 -210.9815      280.8517 32.54668 12.38858 22.73526 10.81381 9.811415 
16.44431 
1 1 1 24  24  17 f 27.48772 8.144200  43.99431       181.4825 280.4214       
237.6278 -286.9276      281.1327 33.38929 12.52948 21.58615 10.40789 11.80314 
16.28840 
1 1 1 24  24  18 o 32.02496 8.436623  253.5255       155.8293 318.0008       
206.1447 167.5621       238.0303 34.73483 11.81416 29.31510 12.04707 5.419729 
16.87325 
1 1 1 24  24  19 o 39.37229 8.643737  427.8263       158.2972 460.3371       
221.1857 393.6905       226.6463 40.98438 12.05825 37.76020 12.38771 3.224182 
17.28747 
1 1 1 24  24  20 o 35.35702 8.677663  332.2419       159.6948 238.0633       
215.1153 447.8671       238.3534 31.02087 11.84455 39.69317 12.68519 -8.672295 
17.35533 
1 1 1 24  24  21 o 27.66606 8.462411  110.9322       169.9431 158.2495       
302.3755 89.08488       205.4639 29.88131 12.97656 25.45081 10.86547 4.430496 
16.92482 
1 1 1 24  24  22 o 21.81233 7.189297  -27.84165      122.5776 -93.75805      
313.1360 -15.91313      133.2078 25.00306 11.72892 18.62160 8.317230 6.381460 
14.37859 
1 1 1 24  24  23 o 32.53322 8.494343  284.2092       136.5034 251.2556       
337.0374 290.6754       149.2962 31.90477 13.77536 33.16166 9.942575 -1.256891 
16.98869 
1 1 1 24  24  24 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 24  24  25 o 24.23484 7.760923  48.35829       128.4121 106.8301       
331.7527 38.05393       139.2681 28.00919 12.75526 20.46049 8.844835 7.548698 
15.52185 
1 1 1 24  24  26 o 25.90917 7.436362  157.6226       125.2993 17.40593       
264.1950 198.3143       142.3240 24.39470 11.20941 27.42363 9.774821 -3.028929 
14.87272 
1 1 1 24  24  27 o 22.57204 6.992321  66.16184       127.0096 -127.5248      
257.6474 128.3389       145.9792 21.31750 10.20100 23.82658 9.566072 -2.509083 
13.98464 
1 1 1 24  24  28 o 21.35919 6.974074  -47.49769      124.6462 195.8964       
247.1275 -130.5439      144.3530 26.98627 11.72551 15.73211 7.554021 11.25415 
13.94815 
1 1 1 24  24  29 o 25.74297 7.055492  191.3363       130.4264 -113.6635      
251.5564 303.4699       152.5293 20.26935 9.790140 31.21660 10.16234 -10.94725 
14.11098 
1 1 1 24  24  30 o 20.94338 6.918015  18.16008       132.3400 109.0667       
259.3191 -13.85370      153.8882 23.61578 10.94999 18.27098 8.457749 5.344797 
13.83603 
1 1 1 24  25  0  o 23.91894 6.927136  104.5573       113.6813 39.35263       
166.0672 162.0581       155.9486 21.78119 9.537411 26.05669 10.04881 -4.275496 
13.85427 
1 1 1 24  25  1  o 22.94683 7.083706  48.73489       129.0923 74.57510       
186.2778 24.85727       179.0641 23.82817 10.26403 22.06549 9.765515 1.762680 
14.16741 
1 1 1 24  25  2  o 22.44811 6.745267  62.30091       110.7312 75.25541       
163.5621 51.33973       150.4531 23.15363 9.781602 21.74259 9.290575 1.411037 
13.49053 
1 1 1 24  25  3  o 26.05474 7.133681  119.4172       121.3656 -19.37074      
170.6103 261.5964       172.6821 20.65475 9.311712 31.45473 10.80970 -10.79997 
14.26736 
1 1 1 24  25  4  o 23.88818 7.482713  33.76709       145.6909 -65.09666      
260.6393 78.69532       175.7038 23.78802 11.00988 23.98835 10.13639 
-0.2003288     14.96543 
1 1 1 24  25  5  o 26.35613 7.811057  86.38868       155.8677 -80.33002      
232.0989 223.3408       210.3611 22.42137 10.38204 30.29089 11.67320 -7.869520 
15.62211 
1 1 1 24  25  6  o 37.40035 9.046761  399.1505       172.4753 339.4043       
279.5074 435.8897       219.1808 35.10848 13.47345 39.69222 12.07649 -4.583740 
18.09352 
1 1 1 24  25  7  f 38.17095 9.230885  356.5711       180.9633 650.1893       
299.9330 188.5063       226.9191 46.74746 14.10793 29.59444 11.90811 17.15302 
18.46177 
1 1 1 24  25  8  o 36.88877 9.124952  361.9529       192.8144 128.4865       
284.2464 560.9427       262.4208 29.31382 12.65357 44.46373 13.15090 -15.14991 
18.24990 
1 1 1 24  25  9  o 21.13276 7.004239  -125.9100      154.4358 -329.5049      
279.5457 -36.47652      185.2761 20.89705 10.14052 21.36847 9.664749 
-0.4714203     14.00848 
1 1 1 24  25  10 f 20.26583 6.691358  -165.3625      137.4038 18.87304       
221.3613 -280.8409      175.2530 24.54731 10.86162 15.98436 7.818070 8.562951 
13.38272 
1 1 1 24  25  11 o 30.21874 8.451017  193.9020       158.5146 146.2724       
210.7418 255.9591       240.5513 27.98501 11.39024 32.45248 12.48764 -4.467464 
16.90203 
1 1 1 24  25  12 o 44.32752 8.568315  527.6298       163.9304 580.9168       
240.9448 481.7050       223.6817 46.37958 12.20695 42.27546 12.02724 4.104122 
17.13663 
1 1 1 24  25  13 o 35.59369 9.040263  319.3901       174.8626 205.6739       
232.9578 466.1498       264.6486 30.57263 12.15400 40.61476 13.38603 -10.04213 
18.08053 
1 1 1 24  25  14 o 27.96916 8.400359  114.2118       170.2795 94.31554       
223.9712 141.4650       262.1288 26.71843 11.37349 29.21989 12.36559 -2.501463 
16.80072 
1 1 1 24  25  15 o 36.17517 9.546706  348.1278       189.7327 316.5084       
238.2332 402.9659       313.7379 34.64776 12.61678 37.70259 14.33092 -3.054832 
19.09341 
1 1 1 24  25  16 o 21.55400 7.290953  -242.8323      189.5249 -159.8129      
263.2424 -332.1765      273.0858 22.57626 10.62989 20.53174 9.981851 2.044518 
14.58191 
1 1 1 24  25  17 o 20.93539 7.173095  -305.8195      194.5869 -342.5101      
270.9531 -266.7422      279.6267 20.24949 9.867412 21.62129 10.41381 -1.371799 
14.34619 
1 1 1 24  25  18 o 22.13954 7.245494  -130.1938      165.6461 -314.7389      
237.1490 45.62187       231.4721 18.91349 9.219074 25.36559 11.18022 -6.452106 
14.49099 
1 1 1 24  25  19 f 28.56505 8.110266  156.4948       163.4885 -69.61236      
268.2596 290.0980       206.2085 24.11877 11.16553 33.01133 11.76591 -8.892553 
16.22053 
1 1 1 24  25  20 o 23.26250 7.174704  62.16372       104.4244 -6.911443      
276.5062 73.65439       112.7760 25.48477 11.61616 21.04023 8.424393 4.444542 
14.34941 
1 1 1 24  25  21 o 22.21878 7.358225  -76.08935      118.2315 124.8699       
303.1620 -112.1371      128.3985 28.80606 12.73300 15.63151 7.378656 13.17455 
14.71645 
1 1 1 24  25  22 o 22.64589 7.355081  7.702832       121.6673 -30.42890      
313.2600 14.47673       132.0325 25.80989 11.99334 19.48188 8.517557 6.328011 
14.71016 
1 1 1 24  25  23 o 36.38386 8.927688  291.8333       129.5419 658.3895       
330.3901 225.2447       140.8174 43.41281 14.94895 29.35492 9.764389 14.05789 
17.85538 
1 1 1 24  25  24 o 20.73681 6.987971  -62.24121      126.5388 -161.7136      
324.7224 -44.43161      137.4005 23.69247 11.36502 17.78114 8.134086 5.911327 
13.97594 
1 1 1 24  25  25 o 35.20822 7.720688  384.1641       129.9019 243.4405       
267.8753 427.4318       148.5356 29.89788 12.56886 40.51855 8.969934 -10.62067 
15.44138 
1 1 1 24  25  26 o 19.34840 9.273520  -151.3868      215.0800 -151.3868      
215.0800 0.000000       0.000000 19.34840 9.273520 ?        ?        ? ? 
1 1 1 24  25  27 o 27.82597 7.480484  216.9295       114.3613 212.3236       
226.5055 218.5054       132.4881 27.61674 11.58131 28.03519 9.471208 
-0.4184418     14.96097 
1 1 1 24  25  28 f 29.18098 8.092949  232.3656       126.8215 440.7002       
260.6416 167.7413       145.1646 33.56702 12.98158 24.79493 9.667572 8.772095 
16.18590 
1 1 1 24  25  29 o 34.33744 7.183310  434.5929       136.0662 148.2835       
254.9160 548.6652       160.9050 24.59132 11.19401 44.08355 9.005214 -19.49223 
14.36662 
1 1 1 24  25  30 o 19.44907 6.373628  -2.105317      126.3883 -266.1436      
260.8700 78.88203       144.4772 18.31999 9.073264 20.57815 8.953682 -2.258165 
12.74726 
1 1 1 24  26  0  o 26.47689 6.899449  181.2378       101.0547 182.4020       
142.1404 180.0480       143.6983 26.53194 9.737298 26.42184 9.777250 0.1101055 
13.79890 
1 1 1 24  26  1  o 27.95569 7.655770  197.3428       133.7624 276.9970       
181.0906 101.7006       198.4340 31.22290 11.03632 24.68847 10.61334 6.534431 
15.31154 
1 1 1 24  26  2  o 23.26024 6.812231  74.01558       111.2506 178.1757       
169.0888 -5.491730      147.7297 26.99487 10.45262 19.52561 8.738918 7.469259 
13.62446 
1 1 1 24  26  3  o 19.82053 6.371018  -53.28991      119.5995 50.08292       
167.4968 -160.8191      170.8309 22.32868 9.676781 17.31237 8.289716 5.016314 
12.74204 
1 1 1 24  26  4  o 24.86758 7.214862  115.2273       121.1199 83.39282       
176.6488 143.4715       166.3899 23.90533 10.13553 25.82984 10.27073 -1.924505 
14.42972 
1 1 1 24  26  5  o 23.47227 7.636861  -55.59851      172.7707 45.33389       
262.5700 -132.6656      229.4374 25.90077 11.61987 21.04377 9.912881 4.856998 
15.27372 
1 1 1 24  26  6  o 24.57139 7.822380  6.879376       162.6825 86.33624       
272.6246 -37.05996      202.7338 27.29380 12.06831 21.84899 9.955615 5.444809 
15.64476 
1 1 1 24  26  7  o 34.07543 9.271957  319.9317       186.8086 359.2124       
271.8110 284.7685       257.1710 35.37578 13.37044 32.77509 12.84944 2.600689 
18.54391 
1 1 1 24  26  8  o 30.00751 8.559031  188.4799       172.4647 313.7296       
242.9707 61.29145       244.8441 33.93078 12.68202 26.08424 11.49759 7.846535 
17.11806 
1 1 1 24  26  9  o 27.87085 8.110299  117.6489       149.5866 277.2289       
249.6468 28.26163       186.8420 32.72482 12.69469 23.01688 10.09715 9.707937 
16.22060 
1 1 1 24  26  10 o 21.75288 7.075215  -142.5685      152.1184 89.97975       
232.3234 -317.0884      201.2606 26.54998 11.44983 16.95577 8.314813 9.594215 
14.15043 
1 1 1 24  26  11 o 21.11541 6.999056  -142.6477      154.2572 -23.66776      
236.1104 -231.2520      203.7538 23.89070 10.84781 18.34013 8.847158 5.550570 
13.99811 
1 1 1 24  26  12 o 32.13085 8.608880  261.1247       162.9574 319.8979       
216.0595 183.5792       248.1774 34.47760 12.06785 29.78410 12.28081 4.693495 
17.21776 
1 1 1 24  26  13 o 27.50187 8.502831  79.00737       180.4883 32.06255       
227.6146 158.5231       296.2326 24.89741 11.01558 30.10633 12.95568 -5.208923 
17.00566 
1 1 1 24  26  14 f 28.82670 8.272137  146.6635       170.9977 295.4147       
222.1431 -69.65105      267.8832 33.42381 12.18208 24.22960 11.19419 9.194214 
16.54427 
1 1 1 24  26  15 o 34.06605 8.882072  309.8232       176.0183 415.8932       
234.3644 172.5745       266.5933 38.37637 12.59687 29.75574 12.52532 8.620630 
17.76414 
1 1 1 24  26  16 o 23.02557 7.719464  -152.5753      188.2461 -181.7936      
233.9102 -98.86495      317.1399 20.66088 9.846687 25.39026 11.89131 -4.729378 
15.43893 
1 1 1 24  26  17 o 39.92377 9.837437  420.5737       195.6770 271.1792       
237.6105 735.4046       344.9348 32.26845 12.41227 47.57909 15.26552 -15.31064 
19.67487 
1 1 1 24  26  18 o 31.49256 8.616684  246.0935       171.9503 94.50830       
261.8925 360.9531       227.9703 27.28562 11.96213 35.69950 12.40550 -8.413879 
17.23337 
1 1 1 24  26  19 o 26.68505 7.767543  143.3731       134.1208 -48.55090      
307.9154 188.3125       148.9980 25.60911 11.89639 27.76098 9.990729 -2.151871 
15.53509 
1 1 1 24  26  20 o 30.22135 8.170279  228.6690       129.4350 192.9200       
301.7482 236.7299       143.2868 30.20775 13.03835 30.23495 9.849630 
-0.2719498E-01 16.34056 
1 1 1 24  26  21 o 24.41697 7.892369  30.18644       127.3391 95.68007       
355.9057 20.57159       136.3662 28.92875 13.18404 19.90518 8.679801 9.023569 
15.78474 
1 1 1 24  26  22 o 28.96213 8.023629  207.4965       124.4424 154.4934       
314.2049 217.3572       135.5246 29.00830 12.87458 28.91597 9.579128 
0.9233284E-01  16.04726 
1 1 1 24  26  23 o 27.56115 8.112511  110.3968       123.2267 378.0407       
290.3101 51.57758       136.0954 34.30273 13.58957 20.81957 8.864250 13.48316 
16.22502 
1 1 1 24  26  24 o 18.02528 6.050974  -90.72443      103.7169 -59.52352      
211.0045 -100.6645      119.0977 21.06707 9.810120 14.98349 7.086515 6.083575 
12.10195 
1 1 1 24  26  25 o 19.06737 6.151052  -13.67202      104.3962 -179.8052      
216.2111 36.83508       119.2137 18.97049 9.141973 19.16426 8.232016 
-0.1937675     12.30210 
1 1 1 24  26  26 o 20.99765 6.662296  -36.58709      97.28572 219.1735       
218.2294 -100.0220      108.6828 27.95201 11.51912 14.04330 6.697358 13.90871 
13.32459 
1 1 1 24  26  27 o 18.33113 8.039540  26.37197       118.3890 0.000000       
0.000000 26.37197       118.3890 ?        ?        18.33113 8.039540 ? ? 
1 1 1 24  26  28 o 22.46622 6.772978  107.6942       119.6819 -81.01025      
231.5883 176.4554       139.7968 20.08625 9.626121 24.84619 9.530516 -4.759933 
13.54596 
1 1 1 24  26  29 o 28.03717 7.386004  264.2838       115.0076 213.8441       
255.2018 277.1380       128.8313 25.74598 11.50537 30.32836 9.264920 -4.582384 
14.77201 
1 1 1 24  27  0  f 18.69594 5.954497  -19.68270      102.6860 68.65685       
140.4817 -121.0341      150.4724 21.03880 8.983240 16.35308 7.818282 4.685715 
11.90899 
1 1 1 24  27  1  o 24.58676 7.240762  120.3308       128.6181 26.50424       
188.0171 202.8570       176.3316 21.79357 9.802881 27.37995 10.65918 -5.586374 
14.48152 
1 1 1 24  27  2  o 20.31847 6.531778  -18.64209      122.2732 -60.20478      
167.6844 28.55004       178.6798 18.93180 8.788560 21.70515 9.665285 -2.773355 
13.06356 
1 1 1 24  27  3  o 22.19686 6.928092  36.72740       128.1262 -23.11309      
197.1931 80.44852       168.5542 21.32432 9.750589 23.06940 9.844788 -1.745075 
13.85618 
1 1 1 24  27  4  o 19.61322 6.468017  -92.78074      127.0200 10.05285       
201.9000 -160.1440      163.4107 22.43957 10.12228 16.78687 8.054834 5.652695 
12.93603 
1 1 1 24  27  5  o 36.47472 7.981349  372.6603       135.9488 467.6605       
202.9031 295.2700       183.1344 40.45818 11.43735 32.49125 11.13530 7.966930 
15.96270 
1 1 1 24  27  6  o 33.26796 8.103620  300.9149       139.1715 407.2173       
208.4527 215.4243       186.9369 37.49024 11.85094 29.04568 11.05576 8.444555 
16.20724 
1 1 1 24  27  7  o 27.83507 8.307481  154.1684       166.6643 177.6247       
226.9394 126.7054       245.5580 28.38699 11.72828 27.28315 11.76879 1.103840 
16.61496 
1 1 1 24  27  8  o 18.17607 6.265347  -293.6844      155.7161 -413.8284      
226.2171 -185.4945      214.6682 16.93490 8.402088 19.41723 9.296408 -2.482336 
12.53069 
1 1 1 24  27  9  o 24.67065 7.457682  79.65502       136.9319 119.8223       
201.6838 45.30537       186.5074 26.10009 10.93604 23.24121 10.14254 2.858875 
14.91536 
1 1 1 24  27  10 o 41.45503 7.992655  475.1922       151.7530 297.9190       
213.6739 655.6104       215.5610 33.02438 11.95631 49.88568 10.61022 -16.86130 
15.98531 
1 1 1 24  27  11 o 23.69525 7.464189  0.9081268      156.8215 -156.4411      
245.7399 109.0148       203.6900 21.48148 10.16899 25.90902 10.92923 -4.427538 
14.92838 
1 1 1 24  27  12 o 27.26120 8.240370  107.5689       171.6757 1.042201       
245.5036 209.5061       240.1568 24.52156 11.10624 30.00083 12.17646 -5.479265 
16.48074 
1 1 1 24  27  13 o 27.71402 8.482281  -13.79103      194.7980 -284.2854      
254.7461 367.0819       302.2863 19.99526 9.695827 35.43277 13.92075 -15.43751 
16.96456 
1 1 1 24  27  14 o 25.33158 8.112589  12.37452       178.0839 -12.91400      
222.3348 57.63675       297.4498 23.28991 10.55772 27.37326 12.32035 -4.083349 
16.22518 
1 1 1 24  27  15 o 25.13069 8.090001  3.423918       181.8692 9.947978       
226.0043 -8.563528      306.3522 23.94475 10.76035 26.31663 12.08335 -2.371876 
16.18000 
1 1 1 24  27  16 o 39.76166 9.603667  482.3842       199.5366 341.0516       
282.7904 622.5178       281.5882 34.44011 13.47998 45.08321 13.68254 -10.64310 
19.20733 
1 1 1 24  27  17 o 35.36615 9.050282  296.4527       135.4457 521.6087       
352.8954 257.5544       146.6797 39.31343 15.12568 31.41887 9.942043 7.894562 
18.10056 
1 1 1 24  27  18 o 22.68381 7.265300  20.68433       119.0533 -13.83049      
290.4948 27.65168       130.5177 25.48026 11.72748 19.88735 8.579317 5.592903 
14.53060 
1 1 1 24  27  19 f 25.63468 7.132440  145.3384       118.2737 -227.9203      
301.4738 213.2388       128.5821 22.39786 10.79399 28.87149 9.326118 -6.473635 
14.26488 
1 1 1 24  27  20 o 18.82172 6.511975  -133.5871      115.8413 -217.8754      
304.1404 -119.2845      125.2847 22.50956 10.84630 15.13388 7.209787 7.375674 
13.02395 
1 1 1 24  27  21 o 22.02977 7.215018  -42.00952      123.1886 107.5764       
278.8297 -78.28902      137.3170 27.14944 12.08219 16.91010 7.889651 10.23934 
14.43004 
1 1 1 24  27  22 o 33.60691 7.759380  326.4603       120.1455 275.2046       
261.9942 340.1096       135.1997 31.06462 12.68113 36.14919 8.945442 -5.084570 
15.51876 
1 1 1 24  27  23 o 18.64097 6.236921  -133.1019      103.1282 78.75974       
213.6245 -197.4800      117.7590 24.38084 10.74410 12.90110 6.337274 11.47974 
12.47384 
1 1 1 24  27  24 o 28.50237 6.947468  38.72122       105.1891 550.6978       
222.5661 -108.5300      119.3613 42.26966 11.98814 14.73507 7.025229 27.53459 
13.89494 
1 1 1 24  27  25 o 18.12416 6.076813  -70.50376      103.5052 -50.81397      
214.9700 -76.44603      118.0955 20.92317 9.797585 15.32515 7.191521 5.598022 
12.15363 
1 1 1 24  27  26 o 17.11445 5.852314  -103.2832      102.5014 -102.6895      
219.1749 -103.4494      115.9645 19.82912 9.469531 14.39978 6.879413 5.429345 
11.70463 
1 1 1 24  27  27 o 22.59985 6.988602  50.30998       105.8952 276.5873       
224.5007 -14.44207      120.0948 28.36157 11.68493 16.83813 7.669719 11.52344 
13.97720 
1 1 1 24  27  28 o 23.39487 7.162311  94.85921       110.5621 298.6485       
229.8296 33.49820       126.1135 28.30915 11.75581 18.48059 8.185083 9.828558 
14.32462 
1 1 1 24  28  0  o 21.14561 6.428293  83.78482       103.0990 99.01746       
144.8233 68.13249       146.8049 21.66103 9.180249 20.63019 9.000825 1.030838 
12.85659 
1 1 1 24  28  1  o 24.63535 7.278089  152.1054       126.0415 125.3047       
194.0836 171.6522       165.7502 24.03239 10.41584 25.23830 10.16821 -1.205910 
14.55618 
1 1 1 24  28  2  o 32.00005 8.207987  328.7047       143.2027 302.2158       
211.8895 350.9764       194.2914 30.75429 11.75172 33.24581 11.46216 -2.491522 
16.41597 
1 1 1 24  28  3  o 23.87239 7.062425  87.42720       116.3942 222.6648       
193.3578 10.57412       145.7617 28.21789 11.11849 19.52690 8.711522 8.690985 
14.12485 
1 1 1 24  28  4  o 29.81809 7.591650  256.6238       132.0588 104.1983       
222.9833 338.9678       163.8926 25.14777 11.03127 34.48842 10.43282 -9.340652 
15.18330 
1 1 1 24  28  5  o 28.73601 7.636229  219.9935       133.6200 93.39883       
207.4744 309.7173       174.6669 24.62909 10.72316 32.84293 10.87482 -8.213840 
15.27246 
1 1 1 24  28  6  o 42.18090 7.666035  518.5855       141.3024 379.6653       
213.6074 626.6738       188.4182 35.42522 12.02611 48.93659 9.510264 -13.51138 
15.33207 
1 1 1 24  28  7  o 44.88189 7.692106  558.4459       142.9217 570.5418       
214.0929 548.7219       191.9575 44.78449 11.36364 44.97928 10.37023 
-0.1947937     15.38421 
1 1 1 24  28  8  o 18.02128 6.254398  -317.9151      144.0494 -430.6773      
177.1979 -98.18823      247.3537 13.94338 6.984678 22.09918 10.37710 -8.155796 
12.50880 
1 1 1 24  28  9  o 26.23954 7.484463  148.1558       124.1883 163.4104       
202.5098 138.9612       157.2218 27.20895 11.13501 25.27013 10.00401 1.938814 
14.96893 
1 1 1 24  28  10 o 32.15159 8.231633  286.9769       154.9940 122.4315       
242.8631 400.0484       201.3237 26.95072 11.66565 37.35247 11.61687 -10.40175 
16.46327 
1 1 1 24  28  11 o 23.87764 7.427248  26.18656       152.6896 -150.5428      
238.6774 148.6218       198.6599 21.01167 9.982079 26.74360 11.00064 -5.731932 
14.85450 
1 1 1 24  28  12 o 19.87955 6.724901  -194.3486      160.1826 -252.5302      
219.7420 -128.3754      233.9938 18.55330 8.999257 21.20579 9.995526 -2.652494 
13.44980 
1 1 1 24  28  13 o 30.73670 8.915538  201.9181       192.8904 23.10283       
264.0134 406.6527       282.5005 25.29004 11.47992 36.18336 13.64400 -10.89332 
17.83108 
1 1 1 24  28  14 o 34.75085 9.478801  363.6864       195.9424 386.2526       
278.7072 341.6320       275.5289 35.49438 13.50261 34.00732 13.30677 1.487064 
18.95760 
1 1 1 24  28  15 f 26.87693 8.094728  94.44643       137.0425 285.8432       
286.6304 37.72882       156.0321 32.26237 13.23260 21.49150 9.327215 10.77088 
16.18946 
1 1 1 24  28  16 o 34.30963 9.898526  329.8467       219.7485 518.1642       
358.6509 216.6575       278.0539 38.45845 15.14607 30.16081 12.74833 8.297642 
19.79705 
1 1 1 24  28  17 o 19.34007 6.552615  -107.6066      127.0756 -331.0345      
301.1236 -59.19530      140.1682 21.02613 10.27563 17.65400 8.133782 3.372133 
13.10523 
1 1 1 24  28  18 o 26.75591 7.747623  153.9067       117.8113 108.8933       
298.8961 162.1861       128.1890 27.71980 12.41773 25.79202 9.268370 1.927784 
15.49525 
1 1 1 24  28  19 o 21.91509 7.261200  -21.51292      120.8091 -6.428238      
317.4446 -24.06767      130.6392 25.86196 12.03896 17.96822 8.121795 7.893738 
14.52240 
1 1 1 24  28  20 o 28.47233 7.570058  204.1199       110.5636 214.5342       
239.5761 201.3016       124.6291 29.08179 12.03497 27.86286 9.186002 1.218929 
15.14012 
1 1 1 24  28  21 o 24.71746 7.150507  103.7002       104.7384 225.5591       
207.4355 62.00229       121.3421 28.97969 11.48521 20.45523 8.521093 8.524464 
14.30101 
1 1 1 24  28  22 o 21.26318 6.822192  13.54291       111.1252 39.21726       
239.5781 6.505058       125.4347 24.06350 10.92651 18.46286 8.171936 5.600639 
13.64438 
1 1 1 24  28  23 o 18.52172 5.962554  -14.30518      98.51393 -207.3946      
210.3688 39.93303       111.4948 18.21206 8.824824 18.83137 8.020638 
-0.6193085     11.92511 
1 1 1 24  28  24 o 23.24275 8.675450  132.1777       113.6238 0.000000       
0.000000 132.1777       113.6238 ?        ?        23.24275 8.675450 ? ? 
1 1 1 24  28  25 f 23.30800 7.232886  21.46553       104.3801 333.1516       
251.7323 -43.25008      114.7057 30.76092 12.47403 15.85509 7.325112 14.90583 
14.46577 
1 1 1 24  28  26 o 20.64658 6.527759  55.37511       103.8615 22.77832       
221.1499 64.59934       117.6425 21.75283 10.09612 19.54033 8.277375 2.212503 
13.05552 
1 1 1 24  28  27 o 22.78438 6.998023  109.1820       108.5416 187.0986       
226.1140 85.85180       123.7291 25.18393 11.07738 20.38483 8.554591 4.799097 
13.99605 
1 1 1 24  28  28 o 20.66778 6.709870  8.045053       111.1739 204.8124       
227.6816 -53.55612      127.3931 25.40479 11.14542 15.93077 7.474553 9.474019 
13.41974 
1 1 1 24  29  0  o 18.22520 5.959309  -29.43544      109.7275 64.40155       
158.0465 -116.7563      152.4604 20.49518 9.109333 15.95522 7.685929 4.539959 
11.91862 
1 1 1 24  29  1  o 22.30308 6.646821  106.0385       109.3364 23.63443       
150.8924 197.1323       158.6490 19.18429 8.697039 25.42186 10.05398 -6.237568 
13.29364 
1 1 1 24  29  2  o 18.71612 6.250147  -101.5637      134.8233 -281.1288      
196.6980 57.55722       185.1624 15.95286 7.895500 21.47939 9.691153 -5.526534 
12.50029 
1 1 1 24  29  3  o 27.82978 7.430032  231.6085       129.8013 90.60545       
201.6284 331.4032       169.6255 23.16890 10.29433 32.49066 10.71673 -9.321762 
14.86006 
1 1 1 24  29  4  o 17.12466 5.815995  -136.6660      119.3237 -133.5845      
183.9644 -138.9040      156.7760 17.89585 8.577134 16.35346 7.857222 1.542393 
11.63199 
1 1 1 24  29  5  o 28.18342 7.310180  213.9083       114.4424 147.1836       
152.5706 299.7467       173.0487 24.67784 9.827962 31.68900 10.82433 -7.011158 
14.62036 
1 1 1 24  29  6  f 40.00750 7.809080  466.1188       134.7798 422.4604       
179.5393 522.4906       204.0122 38.10817 10.75413 41.90682 11.32589 -3.798653 
15.61816 
1 1 1 24  29  7  o 32.07673 7.479721  295.0707       118.6235 338.9455       
163.7245 246.5882       172.1072 34.53242 10.42373 29.62103 10.72990 4.911390 
14.95944 
1 1 1 24  29  8  o 29.12402 6.510808  136.8519       121.0946 -161.4685      
166.3986 472.7199       176.5601 16.82724 8.087264 41.42080 10.20581 -24.59356 
13.02162 
1 1 1 24  29  9  f 16.47579 5.516472  -107.5480      100.7728 -167.9062      
161.7796 -69.28062      128.8160 16.46893 7.929459 16.48264 7.671345 
-0.1371384E-01 11.03294 
1 1 1 24  29  10 o 31.72719 8.287427  296.3408       150.3244 203.4787       
252.2187 347.5012       187.2085 28.84493 12.16439 34.60944 11.25848 -5.764513 
16.57485 
1 1 1 24  29  11 o 23.79543 7.629009  16.60897       166.2630 -48.71827      
245.8699 71.65138       225.6873 22.80568 10.60810 24.78518 10.96701 -1.979507 
15.25802 
1 1 1 24  29  12 o 51.71674 7.519997  934.3005       145.9258 379.8300       
315.5125 1085.182       164.5872 34.21292 13.93293 69.22057 5.663461 -35.00766 
15.03999 
1 1 1 24  29  13 o 26.37995 7.648218  154.4842       126.7659 73.47263       
271.1802 177.1367       143.3981 26.12878 11.76178 26.63112 9.779643 
-0.5023441     15.29644 
1 1 1 24  29  14 o 25.10134 7.957524  50.93106       131.5345 212.2556       
322.1886 18.66521       144.0892 30.11374 13.23449 20.08894 8.839509 10.02480 
15.91505 
1 1 1 24  29  15 o 44.72250 8.063909  632.8594       147.4634 442.3433       
326.6202 681.6360       165.2659 35.91025 14.35405 53.53475 7.353067 -17.62450 
16.12782 
1 1 1 24  29  16 o 31.26798 8.716280  258.3904       143.6730 302.5300       
358.2376 249.9299       156.8390 32.22824 14.06069 30.30773 10.30490 1.920507 
17.43256 
1 1 1 24  29  17 o 24.85345 7.436471  117.2345       121.4870 28.25821       
277.0891 138.4087       135.1717 25.22613 11.54455 24.48078 9.376986 0.7453499 
14.87294 
1 1 1 24  29  18 o 26.80963 7.581296  175.2062       122.9404 83.02565       
266.8799 200.0367       138.5122 25.98539 11.68431 27.63387 9.663396 -1.648474 
15.16259 
1 1 1 24  29  19 o 33.60099 7.007269  327.7601       107.0782 237.1453       
200.2628 364.0375       126.7124 29.29758 11.36899 37.90440 8.194718 -8.606821 
14.01454 
1 1 1 24  29  20 o 22.35637 6.950184  59.43741       115.1672 17.05906       
235.6924 72.72943       131.9985 23.45298 10.69935 21.25977 8.873793 2.193216 
13.90037 
1 1 1 24  29  21 o 27.66528 7.102006  212.1329       106.8183 134.0211       
207.5591 240.2746       124.5831 25.47088 10.89885 29.85968 9.108729 -4.388803 
14.20401 
1 1 1 24  29  22 o 23.86943 7.151460  102.9031       116.3833 174.9071       
207.3624 69.79048       140.6203 26.50143 11.09581 21.23743 9.025323 5.264000 
14.30292 
1 1 1 24  29  23 o 21.11791 6.691995  26.59430       102.7134 126.6325       
217.1266 -2.246754      116.5832 24.89713 10.90361 17.33868 7.761595 7.558445 
13.38399 
1 1 1 24  29  24 o 21.83617 6.572636  93.71425       102.4515 -17.88930      
216.3832 125.9623       116.3153 21.10433 9.868777 22.56802 8.683630 -1.463688 
13.14527 
1 1 1 24  29  25 o 20.65985 6.596605  44.69159       103.3131 86.48553       
223.4323 33.32573       116.5173 23.08761 10.50161 18.23210 7.986057 4.855507 
13.19321 
1 1 1 24  29  26 o 21.22136 6.352788  88.61556       107.7136 -179.6246      
229.9454 164.0209       121.9169 18.38387 8.983197 24.05885 8.985200 -5.674978 
12.70558 
1 1 1 24  29  27 o 21.18578 6.775384  51.03810       109.7553 177.3520       
227.2816 12.62407       125.3382 24.68992 10.95495 17.68163 7.975742 7.008291 
13.55077 
1 1 1 24  30  2  o 18.28779 6.067546  -32.31726      115.7643 -40.57104      
149.7110 -20.04342      182.5650 17.39365 8.150456 19.18194 8.990580 -1.788286 
12.13509 
1 1 1 24  30  3  o 30.98810 7.382136  315.7775       115.4844 373.9414       
164.2611 258.9282       162.3942 33.87452 10.48479 28.10168 10.39485 5.772839 
14.76427 
1 1 1 24  30  4  o 24.47279 6.822997  143.8644       116.1293 286.9143       
160.2008 -14.54661      168.5829 29.87391 10.39763 19.07166 8.837563 10.80225 
13.64599 
1 1 1 24  30  5  o 21.84909 6.813277  66.16367       123.5129 3.104186       
169.5008 137.5547       180.3510 19.76160 9.037707 23.93658 10.19818 -4.174986 
13.62655 
1 1 1 24  30  6  o 29.68690 7.678339  256.1464       134.0510 114.5512       
184.6000 414.1112       194.9789 23.64355 10.20147 35.73025 11.47857 -12.08670 
15.35668 
1 1 1 24  30  7  o 23.06293 7.075634  91.92683       126.3461 89.05260       
190.6099 94.17940       168.7425 23.28820 10.20743 22.83766 9.801361 0.4505405 
14.15127 
1 1 1 24  30  8  o 21.90945 6.834947  49.45401       124.4771 -1.128330      
179.9631 95.85126       172.3575 20.65283 9.402332 23.16607 9.922809 -2.513245 
13.66989 
1 1 1 24  30  9  o 22.49160 5.896408  104.0819       92.46343 -204.8300      
186.7235 204.4399       106.4284 17.05103 8.278419 27.93217 8.398707 -10.88113 
11.79282 
1 1 1 24  30  10 o 18.91974 6.112010  -18.25370      93.85923 26.58021       
188.0656 -33.12494      108.3127 21.86956 9.822154 15.96992 7.276809 5.899640 
12.22402 
1 1 1 24  30  11 f 27.27074 7.194261  198.1837       110.5944 182.1923       
169.9963 209.9186       145.6251 26.66459 10.44842 27.87688 9.892426 -1.212292 
14.38852 
1 1 1 24  30  12 o 30.27654 8.530827  167.5331       116.5690 540.8924       
325.4555 112.5871       124.8522 37.78647 14.52831 22.76661 8.945840 15.01986 
17.06165 
1 1 1 24  30  13 o 29.47253 8.362911  222.7559       134.4086 286.5727       
322.5837 209.3494       147.8544 31.01667 13.43539 27.92839 9.962104 3.088287 
16.72582 
1 1 1 24  30  14 o 49.77177 7.902178  654.6193       143.3474 823.6594       
296.0012 602.8285       163.8418 49.96177 13.70499 49.58178 7.870885 0.3799858 
15.80436 
1 1 1 24  30  15 o 32.57089 7.746887  306.4368       119.0493 294.4061       
240.9701 310.3214       136.9268 31.19135 12.37342 33.95043 9.324991 -2.759075 
15.49377 
1 1 1 24  30  16 o 25.82085 7.723884  141.2835       135.1566 136.5530       
257.8525 143.0755       158.7056 26.71490 11.78426 24.92679 9.988229 1.788111 
15.44777 
1 1 1 24  30  17 o 21.16145 6.769443  14.55096       116.6606 16.53345       
227.8518 13.84661       135.8123 23.09577 10.53194 19.22713 8.507626 3.868641 
13.53889 
1 1 1 24  30  18 o 26.37769 6.874006  183.7765       115.4820 -63.03234      
226.7974 270.1645       134.1790 21.34325 10.00666 31.41212 9.427333 -10.06886 
13.74801 
1 1 1 24  30  19 o 19.79568 6.406118  -16.44412      112.1372 12.11984       
198.6530 -29.80254      135.8512 21.79563 9.910795 17.79573 8.119701 3.999901 
12.81224 
1 1 1 24  30  20 o 25.80975 7.183131  160.2192       103.7104 217.5112       
204.9097 140.4888       120.2497 27.80925 11.26366 23.81024 8.917366 3.999008 
14.36626 
1 1 1 24  30  21 o 31.98889 7.626776  317.1225       119.3813 280.8041       
236.1515 329.5902       138.3634 29.61232 12.05577 34.36546 9.345011 -4.753147 
15.25355 
1 1 1 24  30  22 o 16.62622 5.569385  -104.3201      107.2251 -375.4252      
206.8017 -4.640456      125.3974 15.61403 7.785796 17.63841 7.965775 -2.024379 
11.13877 
1 1 1 24  30  23 o 21.30227 6.861293  -172.9078      115.5761 356.0367       
244.3784 -325.3041      131.1732 30.82680 12.37689 11.77775 5.926374 19.04904 
13.72259 
1 1 1 24  30  24 o 25.55546 7.045929  190.4930       102.1780 179.2516       
218.0100 193.6575       115.6689 25.13107 10.96652 25.97985 8.849633 
-0.8487740     14.09186 
1 1 1 24  30  25 o 21.80949 6.819173  61.72968       102.2328 232.9511       
219.4214 14.25478       115.5399 26.31934 11.23211 17.29964 7.735897 9.019705 
13.63835 
1 1 1 24  31  5  o 17.59872 5.770545  -23.91294      94.65742 34.89479       
165.1418 -52.68778      115.5171 19.92973 9.055384 15.26772 7.155193 4.662018 
11.54109 
1 1 1 24  31  6  o 17.72022 5.914390  -98.46774      100.8213 104.9760       
187.0344 -181.7976      119.7015 22.55239 9.980808 12.88804 6.348503 9.664350 
11.82878 
1 1 1 24  31  7  o 20.28363 6.341181  58.60729       101.0581 1.402802       
197.3203 78.94717       117.6606 20.48998 9.520249 20.07728 8.378970 0.4126968 
12.68236 
1 1 1 24  31  8  o 27.33146 7.192986  217.0473       103.0741 244.9850       
204.6649 207.5532       119.3093 27.63697 11.23278 27.02595 8.987812 0.6110191 
14.38597 
1 1 1 24  31  9  f 16.59603 5.608400  -66.07858      91.11869 -150.5306      
205.9724 -45.52960      101.6013 18.37314 8.870988 14.81891 6.864561 3.554226 
11.21680 
1 1 1 24  31  10 o 14.97178 5.249887  -189.6650      99.78659 -263.1972      
209.0357 -167.9632      113.5611 17.05123 8.397584 12.89233 6.302845 4.158904 
10.49977 
1 1 1 24  31  11 o 32.35735 7.242745  296.5652       113.0508 429.3059       
173.8977 199.4003       148.7805 37.98858 10.53982 26.72612 9.936877 11.26246 
14.48549 
1 1 1 24  31  12 o 20.38319 6.505743  7.622106       121.0212 -104.9827      
198.5143 74.22569       152.6730 19.10108 9.088221 21.66531 9.311444 -2.564226 
13.01149 
1 1 1 24  31  13 o 30.13061 7.661083  229.0819       122.2470 441.8911       
211.1665 121.8099       149.9247 36.84341 11.95654 23.41782 9.581746 13.42559 
15.32217 
1 1 1 24  31  14 o 35.70417 8.144766  380.2703       127.5397 464.9303       
259.8316 353.3978       146.3885 35.89397 13.16593 35.51437 9.592031 0.3796005 
16.28953 
1 1 1 24  31  15 o 25.10053 7.629858  82.82514       127.4728 320.7192       
255.5965 4.064105       147.0682 30.96643 12.56445 19.23462 8.659873 11.73181 
15.25972 
1 1 1 24  31  16 o 22.18895 7.156418  28.56486       128.6079 94.79727       
258.7743 6.839470       148.2073 25.02996 11.36282 19.34794 8.703087 5.682020 
14.31284 
1 1 1 24  31  17 o 23.57139 6.852070  114.6387       120.6975 -121.3935      
231.3807 202.8749       141.4702 20.14732 9.647285 26.99546 9.733107 -6.848145 
13.70414 
1 1 1 24  31  18 o 28.08274 7.473380  190.7019       111.4074 374.1780       
209.3097 118.1761       131.5970 33.47335 11.86172 22.69214 9.094240 10.78121 
14.94676 
1 1 1 24  31  19 o 28.80936 7.599295  238.6542       112.1081 292.1305       
234.7544 222.8553       127.5984 29.56190 12.02514 28.05682 9.294786 1.505087 
15.19859 
1 1 1 24  31  20 o 22.99644 6.989816  97.92204       114.2557 184.8578       
201.7662 56.88492       138.6237 25.80148 10.88037 20.19141 8.777675 5.610069 
13.97963 
1 1 1 24  31  21 o 23.43418 6.518044  137.8434       108.1254 -89.88592      
206.7022 223.6315       126.8672 19.17767 9.167420 27.69070 9.268117 -8.513029 
13.03609 
1 1 1 24  31  22 o 43.17893 7.852551  556.3176       129.3426 728.1516       
259.5918 499.5709       149.1787 43.83369 13.10410 42.52417 8.656366 1.309517 
15.70510 
1 1 1 24  31  23 o 20.64033 6.651186  1.979836       116.8677 194.2150       
210.3230 -83.88541      140.5656 25.24992 10.89175 16.03074 7.636944 9.219179 
13.30237 
1 1 1 24  31  24 o 22.78178 6.792150  131.7360       102.5482 107.9902       
221.9977 138.1774       115.6236 22.99783 10.46266 22.56573 8.664063 0.4321079 
13.58430 
1 1 1 24  32  7  o 18.57848 6.050826  -0.2934702     106.6851 14.00842       
173.2114 -9.035459      135.4207 19.62856 9.042877 17.52840 8.042159 2.100153 
12.10165 
1 1 1 24  32  8  o 23.30271 6.964232  124.0780       104.9889 235.2512       
204.8744 84.48530       122.2630 26.40533 11.04057 20.20008 8.491639 6.205252 
13.92846 
1 1 1 24  32  9  o 16.01833 5.463353  -92.69801      94.84164 -79.55829      
183.3234 -97.50008      110.8253 18.14453 8.663954 13.89213 6.657990 4.252407 
10.92671 
1 1 1 24  32  10 o 21.97562 6.365300  118.2258       95.00850 11.20297       
191.4252 153.2061       109.4393 20.35809 9.427390 23.59315 8.555261 -3.235054 
12.73060 
1 1 1 24  32  11 o 31.54065 7.327682  335.0576       123.4187 199.2758       
197.5068 422.0437       158.0835 25.69645 10.79706 37.38485 9.909749 -11.68840 
14.65536 
1 1 1 24  32  12 o 18.86642 6.187849  -34.49730      121.7441 -180.2197      
199.7228 51.66354       153.5746 17.40524 8.479685 20.32761 9.014036 -2.922373 
12.37570 
1 1 1 24  32  13 o 25.03992 7.397156  174.5256       131.7003 121.0428       
203.9583 212.7732       172.4791 23.64135 10.44779 26.43850 10.47451 -2.797152 
14.79431 
1 1 1 24  32  14 o 33.45974 7.887028  372.7837       129.5205 379.1820       
192.4843 367.4897       175.0883 33.31576 11.41601 33.60373 10.88556 
-0.2879639     15.77406 
1 1 1 24  32  15 o 34.24280 7.581470  408.1551       136.9903 226.6532       
227.7762 511.0105       171.4674 26.86486 11.45378 41.62074 9.936080 -14.75589 
15.16294 
1 1 1 24  32  16 o 21.49502 6.509438  52.49651       123.6434 -275.4682      
227.1213 190.6322       147.3999 17.38171 8.573960 25.60832 9.796854 -8.226606 
13.01888 
1 1 1 24  32  17 o 23.40100 7.231405  120.0863       127.6973 141.0887       
231.5946 110.9119       153.0680 24.49146 10.95212 22.31055 9.445848 2.180902 
14.46281 
1 1 1 24  32  18 o 19.58974 6.478817  -14.60708      118.2726 30.50941       
226.6968 -31.48026      138.6360 21.88161 10.18128 17.29786 8.015094 4.583748 
12.95763 
1 1 1 24  32  19 f 21.32865 6.812858  15.01520       104.8257 246.2748       
229.3213 -46.07114      117.8600 26.97395 11.49619 15.68336 7.314217 11.29059 
13.62572 
1 1 1 24  32  20 o 20.15685 6.629829  -2.222085      113.2766 136.5217       
232.6198 -45.34922      129.6926 23.97312 10.83681 16.34059 7.640820 7.632528 
13.25966 
1 1 1 24  32  21 o 30.85209 7.750194  311.3658       119.7435 410.6580       
212.6746 265.2794       144.8921 32.80046 11.92308 28.90372 9.904653 3.896740 
15.50039 
1 1 1 24  32  22 o 26.60086 7.247437  226.4631       110.6441 219.5503       
216.1936 228.9163       128.7885 25.80976 11.08614 27.39197 9.338035 -1.582201 
14.49487 
1 1 1 24  33  12 o 28.46842 8.308379  214.3117       120.7353 575.9977       
316.7542 152.8315       130.5943 33.59789 13.86714 23.33895 9.155274 10.25894 
16.61676 
1 1 1 24  33  13 o 28.35112 8.437388  198.3058       126.3688 632.0790       
330.4368 123.9977       136.7650 34.56945 14.19821 22.13279 9.119705 12.43666 
16.87478 
1 1 1 24  33  14 o 21.72185 7.259223  26.93573       127.1581 201.6685       
324.9737 -4.653327      138.1749 25.64926 12.01702 17.79443 8.147177 7.854832 
14.51845 
1 1 1 24  33  15 o 22.33266 6.988613  106.4572       129.6859 -204.7182      
331.0827 162.8541       140.9488 20.81203 10.28664 23.85328 9.462978 -3.041254 
13.97723 
1 1 1 24  33  16 f 25.04832 8.141279  37.56604       132.8403 621.9926       
354.1121 -58.14836      143.3060 33.40356 14.26260 16.69308 7.854924 16.71048 
16.28256 
1 1 1 24  33  17 o 23.72753 7.751630  114.8858       152.0426 201.0185       
356.0291 95.67388       168.1465 25.74174 12.21136 21.71332 9.551641 4.028419 
15.50326 
1 1 1 24  33  18 o 19.23821 6.381727  -7.500884      120.0951 -47.43896      
233.5831 6.850029       140.0192 20.29387 9.711598 18.18254 8.281946 2.111330 
12.76345 
1 1 1 25  -14 0  o 21.21338 6.623176  55.82172       121.7230 167.2755       
169.1368 -63.92154      175.3139 24.28497 10.08478 18.14178 8.588538 6.143187 
13.24635 
1 1 1 25  -14 1  o 26.83850 6.933640  191.5261       123.9883 403.4949       
171.9087 -38.28574      178.9980 34.92664 10.70905 18.75036 8.810084 16.17628 
13.86728 
1 1 1 25  -14 2  o 24.36813 7.069094  170.1131       114.9360 136.9499       
152.6707 213.4971       174.6195 22.88120 9.546521 25.85506 10.42844 -2.973860 
14.13819 
1 1 1 25  -14 3  o 27.25953 7.981328  243.1526       144.4720 166.0297       
180.8344 379.2361       240.2108 24.09352 10.23681 30.42555 12.24802 -6.332029 
15.96266 
1 1 1 25  -13 0  f 24.76374 7.191274  154.9943       120.3246 110.8318       
165.2541 204.8260       175.5406 22.95208 9.769861 26.57540 10.55497 -3.623320 
14.38255 
1 1 1 25  -13 1  o 28.64619 7.539498  251.9169       123.2674 187.0911       
169.9594 323.8613       179.0482 25.71056 10.32215 31.58182 10.99224 -5.871260 
15.07900 
1 1 1 25  -13 2  o 22.98802 7.106430  107.3309       128.7819 105.5348       
166.7050 109.9890       202.8068 22.54530 9.710610 23.43074 10.37832 
-0.8854332     14.21286 
1 1 1 25  -13 3  o 28.70744 8.119416  264.6081       141.0016 205.3129       
172.7811 382.8282       243.9676 26.04749 10.42822 31.36738 12.44797 -5.319889 
16.23883 
1 1 1 25  -13 4  f 19.88978 6.623021  -60.05470      127.5951 -147.7284      
152.7007 142.7841       232.2639 15.52589 7.521770 24.25366 10.90324 -8.727770 
13.24604 
1 1 1 25  -13 5  o 19.99539 6.692118  -25.09921      145.0007 -11.59696      
181.9119 -48.62564      240.1243 19.42929 9.071152 20.56149 9.841340 -1.132200 
13.38424 
1 1 1 25  -13 6  o 26.65297 10.67801  236.9550       181.3369 236.9550       
181.3369 0.000000       0.000000 26.65297 10.67801 ?        ?        ? ? 
1 1 1 25  -12 0  o 29.49740 7.218606  249.6315       114.6471 317.5540       
151.7859 159.4070       174.9390 33.42176 10.02606 25.57305 10.38803 7.848711 
14.43721 
1 1 1 25  -12 1  o 21.96039 6.544172  84.22005       103.0288 80.87664       
149.5964 87.23684       142.1017 21.96487 9.320738 21.95591 9.188502 
0.8962631E-02  13.08834 
1 1 1 25  -12 2  o 60.84035 6.358268  919.4159       155.4735 795.8094       
189.9473 1170.324       270.6264 56.19082 8.051723 65.48987 9.842767 -9.299046 
12.71654 
1 1 1 25  -12 3  o 24.88809 7.434343  141.3358       137.0987 195.8483       
169.3759 37.75658       233.4747 26.62012 10.42968 23.15606 10.59716 3.464052 
14.86869 
1 1 1 25  -12 4  o 21.50957 6.933297  9.156200       125.1843 -42.91483      
148.9109 134.6318       231.1575 17.89949 8.298823 25.11964 11.10909 -7.220146 
13.86659 
1 1 1 25  -12 5  o 23.91150 7.356070  125.6525       136.2121 136.0262       
171.1175 107.7108       225.0408 23.84008 10.03501 23.98293 10.75851 
-0.1428566     14.71214 
1 1 1 25  -12 6  o 22.32710 7.003907  86.21042       130.5141 63.26276       
178.4798 112.5842       191.3403 21.48003 9.609763 23.17417 10.19173 -1.694141 
14.00781 
1 1 1 25  -12 7  o 28.44701 11.21604  280.9920       196.8844 0.000000       
0.000000 280.9920       196.8844 ?        ?        28.44701 11.21604 ? ? 
1 1 1 25  -12 8  o 21.39071 6.948392  43.80103       136.6587 -6.282259      
171.6249 130.5706       225.9007 19.15143 8.890791 23.62999 10.68056 -4.478558 
13.89678 
1 1 1 25  -11 0  o 23.07754 6.591680  98.26620       101.8925 29.51325       
145.3867 164.6339       142.8424 20.36384 8.920251 25.79124 9.707218 -5.427402 
13.18336 
1 1 1 25  -11 1  o 49.18573 7.230205  695.7533       138.8894 779.3931       
171.2098 534.7731       237.5246 57.19502 7.130033 41.17644 12.58039 16.01858 
14.46041 
1 1 1 25  -11 2  o 26.86615 7.329609  168.3702       135.9602 299.6262       
168.4176 -77.22278      230.3753 32.33125 10.67851 21.40105 10.04301 10.93019 
14.65922 
1 1 1 25  -11 3  o 40.24348 8.093959  508.4008       145.8757 554.8876       
177.2052 410.6703       256.9371 45.48965 9.579525 34.99730 13.04919 10.49235 
16.18792 
1 1 1 25  -11 4  o 45.03498 8.232502  595.8243       148.4464 568.1649       
177.3327 660.5933       271.3629 45.98664 9.507874 44.08332 13.44235 1.903320 
16.46500 
1 1 1 25  -11 5  o 55.03092 6.451259  765.5704       143.1526 621.0622       
182.6944 995.4074       230.4034 48.08765 9.384039 61.97420 8.855213 -13.88655 
12.90252 
1 1 1 25  -11 6  o 28.37963 7.639480  227.0263       126.3187 167.2915       
167.8079 305.1339       191.8869 25.52389 10.25271 31.23538 11.32822 -5.711496 
15.27896 
1 1 1 25  -11 7  o 23.90803 6.159393  11.10329       122.7932 342.5918       
155.6686 -534.8824      199.7824 33.99322 10.14459 13.82284 6.988543 20.17038 
12.31879 
1 1 1 25  -11 8  o 19.39035 6.501652  -57.15647      135.0706 -40.50748      
164.5350 -91.56454      236.5346 18.47918 8.627356 20.30151 9.729063 -1.822329 
13.00330 
1 1 1 25  -11 9  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  -11 10 o 21.01810 6.831519  44.00954       136.2601 27.24841       
217.2098 54.88564       174.9703 21.25945 9.920424 20.77676 9.394880 0.4826908 
13.66304 
1 1 1 25  -10 0  f 41.96946 7.308149  460.2981       126.9938 366.6277       
163.6491 602.0966       201.3484 36.69720 10.23862 47.24173 10.43105 -10.54453 
14.61630 
1 1 1 25  -10 1  o 26.10027 7.492906  150.3036       126.2196 180.2548       
150.2696 78.54485       232.5955 26.90690 9.989988 25.29365 11.17026 1.613249 
14.98581 
1 1 1 25  -10 2  o 42.09432 8.142350  485.6851       142.3492 418.3492       
175.2222 616.3849       244.1201 38.93770 10.48421 45.25094 12.46085 -6.313240 
16.28470 
1 1 1 25  -10 3  o 37.55777 7.710255  364.8182       123.7777 277.7108       
150.7848 544.7966       216.7405 31.89622 10.07889 43.21932 11.67082 -11.32310 
15.42051 
1 1 1 25  -10 4  o 22.48459 6.883749  33.56452       130.1263 153.6787       
164.9986 -164.0586      211.6420 25.73364 10.22920 19.23554 9.214523 6.498098 
13.76750 
1 1 1 25  -10 5  o 25.18479 7.078687  108.4961       128.4970 268.5899       
172.3008 -92.12431      192.8801 30.81127 10.77747 19.55830 9.180274 11.25297 
14.15737 
1 1 1 25  -10 6  o 55.14449 6.271158  773.9350       138.3689 755.0894       
178.0198 802.6968       219.9227 55.72142 7.609695 54.56756 9.970067 1.153854 
12.54232 
1 1 1 25  -10 7  o 63.15833 5.331786  939.4767       137.4962 829.6480       
172.0565 1133.558       228.7208 58.89590 6.958362 67.42075 8.080405 -8.524849 
10.66357 
1 1 1 25  -10 8  o 25.10088 7.531706  129.2690       142.0039 34.50655       
204.8043 217.0064       197.0668 22.41315 10.14802 27.78860 11.13212 -5.375460 
15.06341 
1 1 1 25  -10 9  o 39.68248 7.539079  457.0751       152.1504 839.8719       
229.4251 156.5390       203.2849 53.97596 10.49888 25.38900 10.82240 28.58696 
15.07816 
1 1 1 25  -10 10 o 17.94932 6.127971  -163.5728      136.7574 -43.81546      
211.3960 -249.7653      179.3414 20.29118 9.545735 15.60746 7.686811 4.683726 
12.25594 
1 1 1 25  -10 11 o 22.72367 7.049028  95.80975       137.0331 -50.16797      
216.3945 193.5399       177.0586 20.01395 9.506482 25.43338 10.41067 -5.419430 
14.09806 
1 1 1 25  -10 12 o 18.45749 6.265362  -126.5140      148.3463 -374.3403      
245.5734 15.88469       186.1490 16.77542 8.381691 20.13956 9.314843 -3.364141 
12.53072 
1 1 1 25  -9  0  o 20.75365 6.659795  -37.08344      129.4891 51.92094       
157.3769 -223.6284      227.8385 22.09032 9.472558 19.41698 9.363873 2.673338 
13.31959 
1 1 1 25  -9  1  o 26.66103 7.471223  158.2607       127.5052 210.5941       
152.6696 37.58514       231.8317 28.72520 10.13537 24.59686 10.97957 4.128349 
14.94245 
1 1 1 25  -9  2  o 21.84793 6.625004  37.56479       114.5752 118.8775       
144.7620 -98.78616      187.4582 24.17377 9.590126 19.52208 9.142877 4.651693 
13.25001 
1 1 1 25  -9  3  f 54.15607 7.057725  714.7735       148.2666 597.4205       
180.8850 955.0555       258.8309 48.46545 9.222096 59.84669 10.68639 -11.38124 
14.11545 
1 1 1 25  -9  4  o 22.70803 6.974118  46.11563       123.2836 5.099778       
164.0875 99.27960       186.8136 20.78686 9.259125 24.62921 10.43177 -3.842346 
13.94824 
1 1 1 25  -9  5  o 31.98287 7.787934  286.6674       127.9669 320.2643       
170.2189 242.9997       194.0608 33.93657 10.70721 30.02917 11.31209 3.907394 
15.57587 
1 1 1 25  -9  6  o 24.43170 7.143278  70.11471       125.2461 -55.54083      
165.0486 240.7078       192.3099 19.09628 8.808890 29.76711 11.24763 -10.67083 
14.28656 
1 1 1 25  -9  7  o 24.27998 7.144369  16.49727       142.2878 -261.2542      
203.9902 279.6843       198.5699 17.35448 8.475732 31.20548 11.50348 -13.85100 
14.28874 
1 1 1 25  -9  8  o 29.44655 8.062205  237.5452       143.4020 302.8619       
207.4709 177.7952       198.4331 31.86715 11.75698 27.02596 11.03495 4.841190 
16.12441 
1 1 1 25  -9  9  o 34.31680 8.613710  374.2354       155.4825 401.2441       
232.6086 352.4217       209.0449 35.04913 12.49598 33.58447 11.85894 1.464661 
17.22742 
1 1 1 25  -9  10 o 41.83334 8.615327  546.6157       158.6344 664.9726       
249.5783 466.3875       205.4821 45.11917 12.66226 38.54752 11.68600 6.571644 
17.23065 
1 1 1 25  -9  11 o 24.05575 6.901226  -7.536289      149.2982 -550.1693      
238.4013 342.5917       191.5001 15.52851 7.831656 32.58299 11.36542 -17.05448 
13.80245 
1 1 1 25  -9  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  -9  13 o 21.17692 7.066379  -11.70878      160.4336 80.13784       
249.0676 -76.84140      209.7418 23.10347 10.71970 19.25037 9.209927 3.853096 
14.13276 
1 1 1 25  -9  14 o 26.25206 8.106729  234.6475       166.9186 264.2637       
262.5620 214.5592       216.2407 26.83688 11.85781 25.66724 11.05751 1.169638 
16.21346 
1 1 1 25  -8  0  o 37.06656 7.271917  321.7225       110.2455 248.6080       
131.3051 496.4128       202.9618 31.30579 9.311773 42.82733 11.17202 -11.52155 
14.54383 
1 1 1 25  -8  1  o 42.95235 7.993145  456.7611       141.4863 340.1428       
172.5787 695.8286       247.0951 35.67908 10.68823 50.22563 11.88794 -14.54655 
15.98629 
1 1 1 25  -8  2  o 31.40145 8.093356  257.3436       135.2138 262.4639       
165.9529 247.2315       233.2150 31.63261 10.60009 31.17030 12.23306 0.4623089 
16.18671 
1 1 1 25  -8  3  o 76.11247 5.281167  1351.833       166.6780 1334.930       
219.2492 1374.980       256.5603 76.16325 6.856675 76.06169 8.034234 0.1015625 
10.56233 
1 1 1 25  -8  4  o 26.92944 7.390625  161.0595       116.6736 142.1706       
147.4385 192.7049       190.8367 25.41644 9.777242 28.44245 11.08562 -3.026007 
14.78125 
1 1 1 25  -8  5  o 18.50695 6.128645  -135.2717      124.9577 -5.691306      
167.3137 -298.7139      187.9075 20.78317 9.300989 16.23073 7.983282 4.552439 
12.25729 
1 1 1 25  -8  6  o 27.05397 7.976547  100.6409       152.7917 299.5445       
244.7527 -26.37346      195.5836 32.56068 12.58230 21.54727 9.807488 11.01342 
15.95309 
1 1 1 25  -8  7  o 28.92327 7.740842  187.5971       143.8457 2.119792       
208.6834 355.5010       198.5515 22.68614 10.25910 35.16041 11.59454 -12.47427 
15.48168 
1 1 1 25  -8  8  o 48.88023 7.582819  653.1623       151.1194 658.8636       
221.3498 648.1849       206.8194 48.69174 11.07474 49.06871 10.36083 
-0.3769684     15.16564 
1 1 1 25  -8  9  o 26.45388 7.673721  135.6775       147.1303 -25.70255      
220.4481 265.3041       197.5735 22.24924 10.23020 30.65853 11.44059 -8.409290 
15.34744 
1 1 1 25  -8  10 o 28.69748 8.157283  218.0417       149.1738 249.9572       
227.0216 193.7909       197.8927 29.79322 11.94282 27.60174 11.11459 2.191481 
16.31457 
1 1 1 25  -8  11 o 27.93933 8.049240  209.1657       150.3087 161.0719       
226.3136 247.1243       201.0578 26.60054 11.38136 29.27812 11.38533 -2.677584 
16.09848 
1 1 1 25  -8  12 o 24.82285 7.589019  117.4169       149.3082 24.82146       
219.7020 196.8834       203.5313 22.61379 10.32015 27.03190 11.12957 -4.418110 
15.17804 
1 1 1 25  -8  13 o 25.01553 7.788032  135.8996       163.0694 33.09062       
253.3544 208.6146       213.0714 23.19041 10.77984 26.84065 11.24317 -3.650246 
15.57606 
1 1 1 25  -8  14 o 19.01690 9.367253  -234.2527      261.5739 -234.2527      
261.5739 0.000000       0.000000 19.01690 9.367253 ?        ?        ? ? 
1 1 1 25  -8  15 o 22.72089 7.429926  79.12795       168.4511 19.45990       
258.4377 123.2035       222.1179 22.02923 10.42834 23.41256 10.58607 -1.383337 
14.85985 
1 1 1 25  -7  0  o 52.39943 7.153065  757.4197       142.8416 902.5015       
177.6122 491.7478       240.3472 63.05671 6.709074 41.74215 12.63541 21.31455 
14.30613 
1 1 1 25  -7  1  o 25.94458 7.663048  103.7799       133.1639 86.17616       
163.7978 138.0944       228.6879 23.99272 9.941448 27.89643 11.66434 -3.903715 
15.32610 
1 1 1 25  -7  2  o 40.05228 7.552200  441.3009       132.5010 513.4623       
167.8006 321.7876       215.9480 45.60439 9.086244 34.50018 12.06578 11.10421 
15.10440 
1 1 1 25  -7  3  o 54.51406 6.347688  764.7680       129.2879 867.5818       
161.8438 583.4470       214.9285 62.09972 6.207654 46.92840 11.07419 15.17133 
12.69538 
1 1 1 25  -7  4  o 45.93069 7.014506  515.9025       130.2437 392.4021       
167.2418 706.2453       207.6246 38.86689 10.14253 52.99448 9.692378 -14.12759 
14.02901 
1 1 1 25  -7  5  o 30.33606 7.095492  235.2689       109.4329 299.9487       
147.3743 155.7733       163.3838 34.08234 9.783862 26.58977 10.27911 7.492571 
14.19098 
1 1 1 25  -7  6  o 53.69641 7.284658  751.5415       158.8088 510.1282       
221.7143 1005.897       227.5796 42.60577 11.92726 64.78706 8.366931 -22.18128 
14.56932 
1 1 1 25  -7  7  o 20.12601 6.674040  -113.3285      142.5237 -87.56441      
209.8149 -135.4020      194.2066 20.99643 9.779237 19.25558 9.085030 1.740852 
13.34808 
1 1 1 25  -7  8  o 18.44025 6.090654  -133.5013      121.5644 -276.8522      
173.2580 5.498941       170.6086 15.64450 7.685538 21.23600 9.450755 -5.591496 
12.18131 
1 1 1 25  -7  9  o 37.97980 8.652698  420.1925       154.5913 482.8727       
242.2252 377.1161       200.8046 39.77054 12.79566 36.18907 11.65108 3.581470 
17.30540 
1 1 1 25  -7  10 o 33.58681 7.529624  294.8672       124.1697 458.2250       
191.1734 175.6639       163.3059 40.35695 10.98915 26.81668 10.29658 13.54027 
15.05925 
1 1 1 25  -7  11 o 49.00306 8.315003  693.5871       166.7280 730.0989       
262.0811 668.7642       216.0952 48.89568 12.66753 49.11043 10.77455 
-0.2147446     16.63001 
1 1 1 25  -7  12 o 26.11738 7.194517  58.44285       145.4835 -296.5337      
212.4163 372.0795       199.6647 17.22351 8.476866 35.01125 11.62700 -17.78774 
14.38903 
1 1 1 25  -7  13 o 20.65037 6.746038  -45.59874      130.3408 72.01638       
219.7569 -109.4279      161.8901 23.92615 10.68474 17.37458 8.238477 6.551569 
13.49208 
1 1 1 25  -7  14 o 39.15429 9.316806  486.4868       165.2643 774.2160       
319.7697 381.6229       193.0449 43.81039 14.71416 34.49818 11.43263 9.312210 
18.63361 
1 1 1 25  -7  15 o 25.57086 11.06594  180.1487       218.4433 0.000000       
0.000000 180.1487       218.4433 ?        ?        25.57086 11.06594 ? ? 
1 1 1 25  -7  16 f 21.49035 7.133061  11.96665       166.0909 -85.69808      
265.1148 75.06307       213.0922 20.71000 10.01115 22.27070 10.16362 -1.560701 
14.26612 
1 1 1 25  -6  0  o 33.46240 7.315239  291.3079       116.8433 348.0895       
149.6506 202.6418       187.0050 37.33869 9.516436 29.58612 11.11253 7.752567 
14.63048 
1 1 1 25  -6  1  o 28.87724 7.386508  193.5720       112.6601 186.3896       
142.2855 205.6418       184.4486 28.08730 9.796787 29.66718 11.05735 -1.579887 
14.77302 
1 1 1 25  -6  2  o 34.04055 7.408157  269.4169       110.3428 211.9641       
133.2678 394.6713       196.7734 29.45304 9.492584 38.62807 11.37603 -9.175032 
14.81631 
1 1 1 25  -6  3  o 25.94148 6.982182  140.9678       105.2696 126.0544       
144.5683 157.8003       153.5881 25.06073 9.673038 26.82224 10.07154 -1.761501 
13.96436 
1 1 1 25  -6  4  o 28.12727 7.051665  177.4939       106.3896 110.3456       
143.6314 259.1194       158.3598 24.28273 9.578048 31.97180 10.35205 -7.689066 
14.10333 
1 1 1 25  -6  5  o 24.66025 7.398230  46.74360       140.6302 -91.02622      
202.2040 175.8154       195.7169 20.88864 9.679239 28.43186 11.19140 -7.543222 
14.79646 
1 1 1 25  -6  6  o 25.89169 7.442926  21.68639       144.9677 298.1322       
215.3716 -207.3181      196.0223 33.49440 12.01582 18.28899 8.786840 15.20540 
14.88585 
1 1 1 25  -6  7  o 26.88282 7.793031  127.1121       143.1322 209.2745       
205.3289 49.44693       199.6303 29.65295 11.51086 24.11268 10.50835 5.540270 
15.58606 
1 1 1 25  -6  8  o 21.07498 6.715523  -16.61866      123.7643 -70.71769      
203.7235 15.02722       155.8134 21.17617 9.775310 20.97379 9.210663 0.2023830 
13.43105 
1 1 1 25  -6  9  o 22.55156 7.195708  -52.17523      149.2409 113.0053       
219.1093 -195.1282      203.8346 26.37432 11.23886 18.72880 8.988927 7.645512 
14.39142 
1 1 1 25  -6  10 o 21.19579 6.951896  -81.49472      146.5162 2.566093       
221.5383 -146.8475      195.3367 23.36858 10.56890 19.02299 9.034038 4.345594 
13.90379 
1 1 1 25  -6  11 o 22.40181 7.154559  -19.28514      148.7136 -163.8892      
226.9647 89.50141       196.8592 20.17671 9.635717 24.62690 10.57846 -4.450197 
14.30912 
1 1 1 25  -6  12 o 30.76331 7.921763  264.6447       132.1700 236.6423       
217.0316 281.1519       166.6335 29.70457 11.75563 31.82205 10.62180 -2.117481 
15.84353 
1 1 1 25  -6  13 o 21.79960 6.851758  28.36023       125.7328 15.39840       
171.7027 43.34666       184.6261 21.13653 9.441610 22.46267 9.931884 -1.326141 
13.70352 
1 1 1 25  -6  14 o 22.08689 6.956071  10.49021       138.5397 -154.4681      
210.7830 135.9483       183.8221 19.10862 9.163859 25.06516 10.46763 -5.956549 
13.91214 
1 1 1 25  -6  15 o 26.09064 7.663289  170.4787       140.3672 107.6644       
208.6409 222.4186       189.7234 24.32985 10.67155 27.85143 11.00100 -3.521574 
15.32658 
1 1 1 25  -6  16 o 23.86969 7.553067  65.67078       169.0942 -169.8101      
257.7596 243.5722       224.0406 19.99091 9.712248 27.74847 11.57011 -7.757559 
15.10613 
1 1 1 25  -6  17 o 21.89574 10.53189  -40.09425      283.6495 -40.09425      
283.6495 0.000000       0.000000 21.89574 10.53189 ?        ?        ? ? 
1 1 1 25  -6  18 o 24.21397 7.806947  143.3063       183.2011 -27.82037      
314.7219 231.0098       225.3080 22.31560 10.80805 26.11234 11.26853 -3.796745 
15.61389 
1 1 1 25  -5  0  o 28.17537 7.236988  179.8179       119.7979 257.6990       
141.7212 -15.13168      224.2228 32.33893 9.685269 24.01180 10.75600 8.327124 
14.47398 
1 1 1 25  -5  1  o 54.99536 6.510513  788.4520       134.3763 1013.765       
175.5233 469.3919       208.8707 67.55984 6.188241 42.43088 11.45656 25.12897 
13.02103 
1 1 1 25  -5  2  o 40.26100 7.544711  407.8747       127.7635 381.0125       
165.2905 447.7464       201.3768 38.99062 10.03935 41.53138 11.26509 -2.540752 
15.08942 
1 1 1 25  -5  3  o 28.96499 7.384708  187.5227       124.2513 283.5032       
161.5200 48.39223       194.4670 33.57519 10.39791 24.35479 10.48900 9.220394 
14.76942 
1 1 1 25  -5  4  o 27.58365 7.811462  138.3534       140.1129 67.93114       
200.4250 205.6659       195.9499 25.16609 10.73727 30.00121 11.34843 -4.835123 
15.62292 
1 1 1 25  -5  5  f 31.12542 8.347813  205.9306       149.8580 338.8018       
239.6938 120.6645       192.0125 35.70016 12.68920 26.55069 10.85026 9.149473 
16.69563 
1 1 1 25  -5  6  o 46.75478 7.666061  563.9843       155.8895 362.0574       
217.6415 776.7246       223.3931 36.69588 12.13913 56.81367 9.365648 -20.11780 
15.33212 
1 1 1 25  -5  7  o 26.98821 7.712184  121.9242       140.8713 14.09184       
201.5170 224.9804       197.0037 23.44644 10.37036 30.52998 11.41783 -7.083540 
15.42437 
1 1 1 25  -5  8  o 44.60832 7.274851  527.7547       135.1675 410.8786       
216.6552 602.2374       172.9552 38.60070 12.06033 50.61594 8.138933 -12.01524 
14.54970 
1 1 1 25  -5  9  o 44.61648 8.236225  532.1763       156.2734 665.6029       
238.1011 431.2039       207.1294 49.60859 11.62329 39.62438 11.67222 9.984207 
16.47245 
1 1 1 25  -5  10 o 30.56405 7.932707  131.0892       153.9164 491.6906       
243.3450 -109.3714      198.7151 41.03748 12.77361 20.09062 9.409901 20.94686 
15.86541 
1 1 1 25  -5  11 o 30.05367 8.062732  220.2416       150.2409 72.99286       
226.3019 336.2933       200.9038 25.43629 11.13573 34.67106 11.66302 -9.234776 
16.12546 
1 1 1 25  -5  12 o 25.85194 7.723620  118.1946       143.7178 116.5742       
214.6539 119.5112       193.4857 26.09852 11.12276 25.60535 10.71921 0.4931660 
15.44724 
1 1 1 25  -5  13 o 28.85173 7.847648  210.3887       140.3074 105.1976       
210.9332 293.8668       187.9064 25.41989 10.93561 32.28357 11.25854 -6.863678 
15.69530 
1 1 1 25  -5  14 o 28.85375 7.755566  210.1453       142.9983 40.25323       
217.4571 339.5848       189.8106 23.62258 10.58679 34.08492 11.33645 -10.46234 
15.51113 
1 1 1 25  -5  15 o 26.58091 7.583362  119.7541       126.5555 338.5759       
224.6740 18.05626       153.1663 32.90854 12.21593 20.25329 8.988910 12.65525 
15.16672 
1 1 1 25  -5  16 o 27.77561 7.335938  83.22172       140.0887 -190.7321      
181.7967 483.6852       219.8006 16.93119 8.204011 38.62003 12.16381 -21.68884 
14.67188 
1 1 1 25  -5  17 o 25.35241 7.679181  29.81335       196.4981 -920.3475      
378.2338 381.0567       229.9672 17.96711 9.173401 32.73771 12.31779 -14.77060 
15.35836 
1 1 1 25  -5  18 o 20.68987 9.738257  -20.32211      220.5544 0.000000       
0.000000 -20.32211      220.5544 ?        ?        20.68987 9.738257 ? ? 
1 1 1 25  -5  19 o 23.04020 7.591808  88.10323       177.6028 10.33185       
310.9200 125.7692       216.3780 22.75595 10.96539 23.32445 10.50249 
-0.5684929     15.18362 
1 1 1 25  -4  0  o 35.35886 7.710498  327.4937       131.7667 399.2675       
162.4099 189.2534       225.3965 40.34529 9.694527 30.37243 11.99263 9.972858 
15.42100 
1 1 1 25  -4  1  o 33.85469 6.889929  281.5773       103.3315 295.9972       
141.9177 265.3072       150.7474 34.81284 9.463208 32.89654 10.01659 1.916298 
13.77986 
1 1 1 25  -4  2  o 52.54047 6.116350  625.4775       130.1115 533.5982       
166.5025 769.5775       208.5180 47.44167 8.682723 57.63928 8.616802 -10.19761 
12.23270 
1 1 1 25  -4  3  o 20.30822 6.508339  -54.67256      120.3977 -1.746135      
156.1538 -132.2585      189.0635 20.99552 9.220461 19.62092 9.187873 1.374605 
13.01668 
1 1 1 25  -4  4  o 34.17841 8.263461  250.7215       152.8551 478.6806       
235.4454 84.64029       200.9657 42.42107 12.42810 25.93576 10.89411 16.48531 
16.52692 
1 1 1 25  -4  5  o 29.42718 8.117796  178.6566       148.5331 90.46342       
231.6220 240.2562       193.5758 27.19936 11.57180 31.65500 11.38806 -4.455635 
16.23559 
1 1 1 25  -4  6  o 39.16520 8.150925  391.9677       146.1007 522.0925       
217.1353 284.3198       197.4937 44.75779 11.49618 33.57261 11.55803 11.18519 
16.30185 
1 1 1 25  -4  7  o 67.51768 5.814302  1050.927       163.9601 1208.454       
242.8017 918.8783       222.3012 72.30920 7.997962 62.72618 8.441390 9.583015 
11.62860 
1 1 1 25  -4  8  o 19.55387 6.281983  -91.84221      122.0079 -330.6384      
202.1732 44.94006       153.0117 16.94891 8.318559 22.15884 9.415670 -5.209927 
12.56397 
1 1 1 25  -4  9  o 62.61067 7.328741  1004.106       181.1904 752.8365       
264.1195 1227.484       249.0297 52.83142 12.15322 72.38993 8.193963 -19.55851 
14.65748 
1 1 1 25  -4  10 o 39.49800 8.402450  413.9119       152.5604 560.4205       
233.7641 305.2147       201.3518 45.11747 12.09226 33.87854 11.66970 11.23893 
16.80490 
1 1 1 25  -4  11 o 20.56997 6.830698  -131.3548      144.7918 -45.54693      
234.7252 -184.0612      183.9619 23.21337 10.62426 17.92658 8.588294 5.286781 
13.66140 
1 1 1 25  -4  12 o 23.61863 7.297690  39.87917       136.3361 96.09288       
207.8495 -2.571448      180.6217 25.59285 10.92731 21.64441 9.675695 3.948431 
14.59538 
1 1 1 25  -4  13 o 22.46197 7.132713  0.9263654      139.3999 35.05051       
209.5523 -26.16170      186.7027 23.73828 10.52757 21.18565 9.626659 2.552628 
14.26543 
1 1 1 25  -4  14 o 28.98130 8.146442  210.0181       146.8579 220.2239       
229.4677 202.9380       191.1266 29.51084 11.93324 28.45176 11.09305 1.059078 
16.29288 
1 1 1 25  -4  15 o 53.80940 7.345512  780.2465       161.9762 659.3782       
228.2386 902.8899       229.9085 48.03484 11.46115 59.58397 9.190658 -11.54913 
14.69102 
1 1 1 25  -4  16 o 37.56038 8.757603  446.3287       160.0748 441.4536       
221.4626 451.6624       231.6402 37.52648 12.24523 37.59427 12.52345 
-0.6778717E-01 17.51521 
1 1 1 25  -4  17 o 26.92578 7.607981  54.69415       153.0060 -228.4495      
200.6178 448.3957       236.5645 17.37109 8.469422 36.48048 12.64098 -19.10939 
15.21596 
1 1 1 25  -4  18 o 38.02191 9.088009  472.7682       182.0609 842.1186       
294.7469 244.9131       231.5045 47.88762 13.86568 28.15621 11.75205 19.73141 
18.17602 
1 1 1 25  -4  19 o 29.13451 8.132917  272.4492       173.2591 -23.66535      
260.6491 506.8682       231.9117 21.75057 10.37271 36.51844 12.52933 -14.76787 
16.26583 
1 1 1 25  -4  20 f 27.48328 12.48358  306.3435       313.3124 306.3435       
313.3124 0.000000       0.000000 27.48328 12.48358 ?        ?        ? ? 
1 1 1 25  -3  0  o 68.55173 5.098099  1056.831       136.2456 1066.258       
165.5980 1037.079       239.6981 69.85577 5.646427 67.24769 8.490012 2.608086 
10.19620 
1 1 1 25  -3  1  o 99.69153 5.179383  2273.243       209.4027 2450.360       
271.4449 2012.910       329.0914 105.5456 6.125800 93.83751 8.353359 11.70805 
10.35877 
1 1 1 25  -3  2  o 44.13241 6.967160  455.5887       125.9200 331.0488       
163.7570 635.7526       196.9606 36.66903 10.24565 51.59579 9.444149 -14.92677 
13.93432 
1 1 1 25  -3  3  o 33.24944 7.963661  273.5334       133.9694 181.9117       
232.1267 319.2940       164.0484 30.51309 12.13168 35.98579 10.31998 -5.472704 
15.92732 
1 1 1 25  -3  4  o 39.60071 7.676395  382.0761       131.8095 494.3686       
202.7993 299.9444       173.4389 44.39264 10.93783 34.80877 10.77367 9.583874 
15.35279 
1 1 1 25  -3  5  o 37.66122 8.580367  359.8187       152.8788 408.9302       
233.8487 323.1624       202.0309 39.52757 12.55793 35.79486 11.69569 3.732708 
17.16073 
1 1 1 25  -3  6  o 19.78199 6.511081  -156.4023      137.4559 -313.5905      
201.7106 -20.12333      187.8162 17.30558 8.447354 22.25840 9.910544 -4.952822 
13.02216 
1 1 1 25  -3  7  f 28.35701 7.590357  138.0078       125.3228 288.9130       
203.9461 46.45704       158.8526 33.98302 11.74087 22.73099 9.623203 11.25204 
15.18071 
1 1 1 25  -3  8  o 46.11224 7.705196  531.7229       149.5138 734.2185       
224.4498 370.1910       200.4659 54.51233 10.18525 37.71217 11.56464 16.80016 
15.41039 
1 1 1 25  -3  9  o 39.33706 8.195065  411.2188       161.5605 180.1612       
237.7169 609.5586       220.2444 29.94456 12.13051 48.72956 11.02212 -18.78499 
16.39013 
1 1 1 25  -3  10 o 31.49178 8.319266  233.7653       146.0699 294.8217       
229.5098 192.1956       189.3757 33.81797 12.37686 29.16558 11.11998 4.652395 
16.63853 
1 1 1 25  -3  11 o 26.03814 7.456931  125.4422       125.2397 51.81067       
221.8147 159.8998       151.7403 25.27530 11.04532 26.80099 10.02118 -1.525690 
14.91386 
1 1 1 25  -3  12 o 33.78559 8.147435  305.3263       145.9500 184.6050       
220.7255 399.1150       194.5520 29.11845 11.73292 38.45272 11.30758 -9.334269 
16.29487 
1 1 1 25  -3  13 o 36.52704 8.281013  364.8721       143.1771 430.4394       
217.5248 314.7512       190.1841 39.01117 12.06369 34.04291 11.34760 4.968262 
16.56203 
1 1 1 25  -3  14 o 42.72152 8.503974  522.5049       160.0581 586.3235       
226.6395 459.0040       226.0744 45.73320 11.74412 39.70985 12.30227 6.023346 
17.00795 
1 1 1 25  -3  15 o 41.27958 8.563492  495.5942       161.2879 381.4555       
220.9268 625.8506       236.0107 35.92396 12.23041 46.63520 11.98960 -10.71125 
17.12698 
1 1 1 25  -3  16 o 19.15787 6.529380  -222.2597      158.1650 -328.6035      
221.4383 -111.4997      225.9893 17.44699 8.593577 20.86876 9.832683 -3.421768 
13.05876 
1 1 1 25  -3  17 o 25.58392 7.961927  49.37935       172.3562 272.5066       
257.8183 -130.9177      231.7564 30.60518 12.55090 20.56266 9.800203 10.04252 
15.92385 
1 1 1 25  -3  18 o 36.61849 9.424785  466.8456       185.8852 544.9009       
288.5160 411.4510       243.0540 38.36611 13.89303 34.87087 12.73931 3.495239 
18.84957 
1 1 1 25  -3  19 o 24.93377 8.062222  45.55632       187.4094 297.1388       
295.4732 -123.7766      242.4089 29.51818 12.82337 20.34937 9.775429 9.168800 
16.12444 
1 1 1 25  -3  20 o 21.08535 7.183041  -113.8626      196.8336 -381.9624      
314.2515 59.22542       252.5008 19.17857 9.568060 22.99212 10.71618 -3.813549 
14.36608 
1 1 1 25  -3  21 o 26.64208 12.11305  259.8794       296.5451 0.000000       
0.000000 259.8794       296.5451 ?        ?        26.64208 12.11305 ? ? 
1 1 1 25  -2  0  o 42.46838 7.172976  425.7107       127.2630 308.1049       
167.9003 584.5086       195.1012 35.52039 10.52247 49.41639 9.751100 -13.89600 
14.34595 
1 1 1 25  -2  1  o 27.11647 6.860286  111.0079       121.9932 291.4559       
158.4285 -151.8309      191.2062 34.68128 10.20568 19.55166 9.170511 15.12962 
13.72057 
1 1 1 25  -2  2  o 91.21284 4.596244  1843.108       167.8163 1868.277       
209.3554 1797.866       280.6859 92.77308 5.375059 89.65260 7.457251 3.120483 
9.192489 
1 1 1 25  -2  3  o 25.90261 7.690617  20.09798       146.8880 201.1371       
226.7215 -110.8631      192.8313 31.27576 12.10495 20.52947 9.489594 10.74628 
15.38123 
1 1 1 25  -2  4  o 20.81282 6.752501  -141.6497      144.7787 -426.4452      
237.9172 25.82882       182.4479 18.09101 8.910841 23.53464 10.14800 -5.443632 
13.50500 
1 1 1 25  -2  5  o 30.00647 8.071835  177.0071       148.5619 44.49460       
225.8642 278.0519       197.2312 26.09936 11.27292 33.91358 11.55593 -7.814222 
16.14367 
1 1 1 25  -2  6  o 37.14395 8.052052  343.3185       145.3430 204.9118       
208.9821 472.9827       202.2742 30.85349 11.70537 43.43441 11.06013 -12.58092 
16.10410 
1 1 1 25  -2  7  o 32.02597 7.576741  222.7138       126.9568 99.87247       
170.2217 376.7073       190.5873 25.40674 10.27617 38.64520 11.13680 -13.23845 
15.15348 
1 1 1 25  -2  8  o 25.26445 7.620809  59.21083       142.6437 39.60659       
210.3086 75.91308       194.1197 25.05648 10.85084 25.47242 10.70356 
-0.4159393     15.24162 
1 1 1 25  -2  9  o 29.15910 7.826371  177.5381       133.5668 121.8265       
183.6113 240.1537       194.6561 26.58268 10.70528 31.73551 11.41951 -5.152834 
15.65274 
1 1 1 25  -2  10 o 37.64000 8.728590  373.8534       157.6821 387.7259       
245.3443 364.0906       205.8190 37.98455 12.88857 37.29545 11.77445 0.6890984 
17.45718 
1 1 1 25  -2  11 o 47.64504 7.243640  568.1553       132.5495 555.2616       
241.5498 573.7108       158.5541 45.25209 12.36599 50.03799 7.547423 -4.785904 
14.48728 
1 1 1 25  -2  12 o 52.86082 7.000603  705.9236       149.2034 582.6947       
222.3405 806.8773       201.2441 46.97691 11.37773 58.74474 8.159720 -11.76783 
14.00121 
1 1 1 25  -2  13 o 50.04887 7.128428  625.1472       142.2987 697.4222       
225.7048 577.4668       183.3231 51.90000 10.72355 48.19773 9.394860 3.702263 
14.25686 
1 1 1 25  -2  14 o 34.03563 7.986626  248.8975       159.9929 -29.06209      
217.8177 574.5801       235.7760 22.80037 10.37038 45.27089 12.14907 -22.47052 
15.97325 
1 1 1 25  -2  15 o 57.20027 6.969699  843.4115       157.3924 891.9648       
203.1787 770.5565       248.8850 61.29278 7.895688 53.10776 11.48760 8.185020 
13.93940 
1 1 1 25  -2  16 o 34.93798 8.512319  341.4392       166.2187 530.7742       
233.7130 147.6464       236.4483 42.37726 12.37174 27.49871 11.69523 14.87855 
17.02464 
1 1 1 25  -2  17 o 29.30447 8.266474  198.3114       164.8255 363.2604       
231.2250 27.90625       235.0181 34.54445 12.44447 24.06449 10.88456 10.47996 
16.53295 
1 1 1 25  -2  18 o 36.78645 9.497944  455.5865       190.3010 494.9636       
283.8043 423.4185       256.5130 37.75091 13.76838 35.82199 13.08722 1.928913 
18.99589 
1 1 1 25  -2  19 o 33.73645 8.679261  382.4185       167.4350 263.2085       
278.4780 449.9124       209.5399 29.69949 12.66351 37.77342 11.87240 -8.073929 
17.35852 
1 1 1 25  -2  20 o 25.94336 8.049647  122.4015       182.0314 -105.5520      
265.6674 324.1265       249.9165 21.36204 10.25503 30.52467 12.41055 -9.162634 
16.09929 
1 1 1 25  -2  21 o 18.70885 6.442578  -166.0842      160.6973 -188.2789      
211.6067 -135.8449      246.9962 17.71513 8.648140 19.70256 9.551802 -1.987423 
12.88516 
1 1 1 25  -2  22 o 21.64254 7.427900  -70.23812      212.5731 -186.4212      
306.9631 36.81942       294.6615 20.42141 10.05774 22.86368 10.93328 -2.442272 
14.85580 
1 1 1 25  -1  0  o 53.64744 6.304816  639.0881       135.7266 477.8325       
175.1276 881.6266       214.7768 44.77028 9.594704 62.52460 8.181962 -17.75432 
12.60963 
1 1 1 25  -1  1  o 63.48680 5.309545  915.7827       137.8561 1010.131       
182.7048 791.0650       210.0613 67.85889 6.413045 59.11472 8.463918 8.744167 
10.61909 
1 1 1 25  -1  2  o 49.68459 7.765019  583.5387       155.7448 733.1920       
247.9232 485.9814       200.1724 54.79451 11.16422 44.57467 10.79547 10.21985 
15.53004 
1 1 1 25  -1  3  o 25.73487 7.583802  40.26913       127.5185 186.3255       
231.6285 -23.24969      152.7506 31.08182 12.19280 20.38792 9.021742 10.69390 
15.16760 
1 1 1 25  -1  4  o 32.80205 8.083352  246.1243       147.8576 70.92742       
238.7749 355.0846       188.3041 27.60053 11.74600 38.00356 11.10828 -10.40302 
16.16670 
1 1 1 25  -1  5  o 53.28395 7.031642  677.5736       151.7550 621.6072       
229.0133 721.3870       202.6285 50.23615 11.15209 56.33176 8.567781 -6.095608 
14.06328 
1 1 1 25  -1  6  o 22.26732 7.017400  -42.51755      135.6017 -127.4452      
196.1745 35.18879       187.6490 20.39070 9.481224 24.14395 10.34804 -3.753244 
14.03480 
1 1 1 25  -1  7  o 89.86342 5.650543  1824.641       213.1227 1766.582       
298.9542 1884.642       303.9090 88.35542 8.059210 91.37143 7.922354 -3.016014 
11.30109 
1 1 1 25  -1  8  o 18.05862 6.182902  -279.3443      144.1656 -371.6194      
217.6429 -207.2043      192.4377 17.58612 8.631187 18.53112 8.855266 
-0.9450035     12.36580 
1 1 1 25  -1  9  o 39.45477 8.420817  391.9012       149.2235 456.0308       
233.8069 347.8239       193.8364 41.79311 12.42456 37.11644 11.36974 4.676666 
16.84163 
1 1 1 25  -1  10 o 18.50285 6.325294  -248.9226      143.4924 -280.9856      
235.9643 -230.1082      180.7546 19.71855 9.514246 17.28716 8.337656 2.431391 
12.65059 
1 1 1 25  -1  11 o 33.04462 7.949907  261.1597       126.7261 314.4043       
218.1848 234.0530       155.6771 35.05999 12.14083 31.02925 10.26666 4.030731 
15.89981 
1 1 1 25  -1  12 o 26.34031 7.578931  78.56808       143.7842 -95.52354      
208.7039 235.8500       198.3723 21.35527 9.871740 31.32535 11.50259 -9.970078 
15.15786 
1 1 1 25  -1  13 o 31.11818 8.370466  230.0190       152.5029 271.4818       
211.0090 184.6774       220.6577 32.72839 11.87833 29.50797 11.79679 3.220417 
16.74093 
1 1 1 25  -1  14 o 23.54263 7.401184  -41.17644      153.0057 -197.5156      
208.7857 140.1857       224.8744 19.19675 9.185386 27.88850 11.60770 -8.691755 
14.80237 
1 1 1 25  -1  15 o 31.73692 8.107133  231.0962       156.8234 433.0264       
218.5117 16.60935       225.2031 39.26086 12.08095 24.21299 10.81448 15.04787 
16.21427 
1 1 1 25  -1  16 o 32.37342 8.646050  281.8777       160.5138 242.0963       
217.5943 329.3676       237.7431 30.67702 11.86178 34.06982 12.58233 -3.392803 
17.29210 
1 1 1 25  -1  17 o 34.66841 8.817635  339.5260       188.2582 63.28827       
284.6272 554.3573       251.0057 26.62754 12.01456 42.70928 12.90941 -16.08174 
17.63527 
1 1 1 25  -1  18 o 28.19679 8.481437  160.5014       184.0508 6.647314       
275.3350 284.7843       247.4643 24.88190 11.43748 31.51168 12.52690 -6.629787 
16.96287 
1 1 1 25  -1  19 o 20.21295 6.941144  -236.0759      183.5037 -206.7160      
275.5991 -259.4586      245.9510 21.14119 10.21744 19.28471 9.397972 1.856478 
13.88229 
1 1 1 25  -1  20 o 54.93398 8.101754  894.1626       183.9924 1018.572       
256.8878 763.1137       263.6533 61.14252 10.00740 48.72544 12.74385 12.41708 
16.20351 
1 1 1 25  -1  21 o 30.04037 8.379465  304.5069       165.9522 170.1495       
261.9925 394.5368       214.4624 26.23853 11.69326 33.84220 12.00539 -7.603666 
16.75893 
1 1 1 25  -1  22 o 20.02438 6.732625  -91.54027      159.7280 -262.8612      
227.0113 76.43563       224.7841 17.36846 8.568494 22.68029 10.38720 -5.311823 
13.46525 
1 1 1 25  0   0  o 35.37602 7.111714  299.4230       110.5652 296.6157       
159.3971 302.0263       153.4955 35.20076 10.19805 35.55128 9.914925 
-0.3505211     14.22343 
1 1 1 25  0   1  o 29.71015 7.564703  186.0979       119.5843 166.7165       
156.8646 212.9910       184.7788 28.27146 10.24347 31.14884 11.13419 -2.877378 
15.12941 
1 1 1 25  0   2  o 69.79031 5.757140  1036.875       154.5964 1232.263       
291.4738 960.3920       182.3607 73.36690 9.462819 66.21371 6.560008 7.153183 
11.51428 
1 1 1 25  0   3  o 53.92885 7.047897  686.5596       153.4456 697.1768       
224.9267 677.3167       209.8650 54.15888 10.26462 53.69882 9.660693 0.4600601 
14.09579 
1 1 1 25  0   4  o 32.89060 8.168382  243.2897       149.2024 82.38287       
240.6037 343.8265       190.1856 28.18092 11.88252 37.60027 11.21140 -9.419350 
16.33676 
1 1 1 25  0   5  o 24.51905 7.286103  56.94361       124.3747 15.63226       
209.5058 79.42659       154.5569 24.82517 10.79149 24.21294 9.792499 0.6122341 
14.57221 
1 1 1 25  0   6  f 23.42290 7.230503  0.5973784      135.3138 -43.28792      
198.1212 38.96652       185.2518 22.57892 10.11245 24.26687 10.33726 -1.687952 
14.46101 
1 1 1 25  0   7  o 56.56560 6.767834  723.1163       154.0127 981.1785       
241.0142 545.0082       200.2269 65.64513 8.745028 47.48607 10.33145 18.15907 
13.53567 
1 1 1 25  0   8  o 38.81654 7.504843  359.6832       136.3228 560.7902       
197.4183 176.3907       188.4717 48.24514 10.07501 29.38793 11.12586 18.85721 
15.00969 
1 1 1 25  0   9  o 29.59221 8.032690  151.3273       141.3100 283.1818       
223.6587 63.72238       182.3066 34.41939 12.25505 24.76504 10.38798 9.654352 
16.06538 
1 1 1 25  0   10 o 65.43829 5.653289  966.2743       154.6992 1092.428       
227.7774 858.2594       210.7669 69.49425 7.806974 61.38233 8.178622 8.111919 
11.30658 
1 1 1 25  0   11 o 33.38781 7.862368  265.4329       124.8067 311.2021       
210.0236 240.4469       155.1782 35.21046 11.92480 31.56516 10.25020 3.645300 
15.72474 
1 1 1 25  0   12 o 20.18128 6.735203  -174.5477      150.6293 -103.6285      
202.6343 -262.1343      225.1905 20.99252 9.712867 19.37005 9.333385 1.622469 
13.47041 
1 1 1 25  0   13 o 19.96226 6.683890  -177.6673      148.8525 -230.9980      
206.1459 -119.5695      215.1620 18.70749 8.993492 21.21703 9.890130 -2.509539 
13.36778 
1 1 1 25  0   14 o 25.91829 7.541686  18.22609       156.0295 268.1508       
211.1017 -282.7062      231.6443 32.62916 11.87713 19.20742 9.297410 13.42174 
15.08337 
1 1 1 25  0   15 o 29.80833 8.059823  209.5975       140.0078 199.5298       
213.8373 217.1517       185.2311 29.67226 11.69218 29.94440 11.09666 
-0.2721386     16.11965 
1 1 1 25  0   16 o 36.69845 9.026086  382.7977       169.3648 368.3070       
222.8502 402.6118       260.5892 36.23322 12.28354 37.16367 13.22859 
-0.9304543     18.05217 
1 1 1 25  0   17 o 40.88008 9.871444  517.7501       204.2267 636.6295       
304.7388 420.8273       275.1611 44.59705 14.35252 37.16312 13.55680 7.433929 
19.74289 
1 1 1 25  0   18 o 28.82261 8.212289  92.79937       188.8346 -330.7921      
284.1380 427.8927       252.7194 20.40175 9.973081 37.24347 13.05007 -16.84171 
16.42458 
1 1 1 25  0   19 f 24.33856 7.796976  -6.843070      181.2925 -213.2844      
272.4742 157.1465       242.8483 21.17521 10.21875 27.50191 11.77915 -6.326696 
15.59395 
1 1 1 25  0   20 o 45.53855 9.520917  683.0858       198.4483 839.0721       
289.6547 545.0969       272.4329 51.16023 13.34673 39.91687 13.58147 11.24336 
19.04183 
1 1 1 25  0   21 o 22.53996 7.268900  22.13715       152.8181 47.52576       
213.6741 -4.446860      218.6466 23.04462 10.40326 22.03530 10.15480 1.009317 
14.53780 
1 1 1 25  0   22 o 19.68118 6.573212  -81.97296      148.2494 -349.9241      
266.1653 38.54002       178.5009 18.26614 9.069549 21.09622 9.516918 -2.830086 
13.14642 
1 1 1 25  0   23 o 40.48874 7.480883  358.6681       181.6624 1297.439       
302.6438 -170.0830      227.1316 62.53258 11.95493 18.44491 8.996338 44.08768 
14.96177 
1 1 1 25  1   0  o 29.04178 7.352157  179.0875       111.0565 187.6691       
137.4413 162.9447       188.5051 28.95517 9.646628 29.12840 11.09772 
-0.1732273     14.70431 
1 1 1 25  1   1  o 54.85914 5.866136  653.2513       133.0175 554.5348       
171.0853 804.1309       211.5110 49.82409 8.178889 59.89420 8.411418 -10.07011 
11.73227 
1 1 1 25  1   2  o 25.27502 7.625737  36.54470       143.8486 -30.84560      
224.4110 83.54735       187.4160 24.47869 10.87032 26.07136 10.69783 -1.592672 
15.25147 
1 1 1 25  1   3  o 63.01858 5.886471  882.4681       155.1707 820.8177       
208.8143 958.4924       231.8831 60.63304 8.202984 65.40412 8.444715 -4.771080 
11.77294 
1 1 1 25  1   4  o 66.50601 7.014813  1091.966       174.6131 614.7396       
254.1020 1518.941       240.3518 49.80041 12.22689 83.21161 6.879939 -33.41120 
14.02963 
1 1 1 25  1   5  o 47.14453 7.244547  535.1556       144.3130 333.6194       
205.2447 732.2168       202.9532 37.17062 11.76036 57.11843 8.463319 -19.94781 
14.48909 
1 1 1 25  1   6  o 66.78644 5.565985  989.6312       155.7396 1061.607       
229.3276 928.0227       212.1698 69.00950 7.915322 64.56338 7.827416 4.446121 
11.13197 
1 1 1 25  1   7  o 32.62831 7.600590  207.4265       125.4830 402.1470       
203.5143 87.99464       159.3857 40.42948 11.46270 24.82714 9.984104 15.60234 
15.20118 
1 1 1 25  1   8  o 21.59593 6.703666  -61.41074      124.2782 89.50455       
178.6147 -203.0362      173.0300 25.71254 10.47918 17.47932 8.363219 8.233223 
13.40733 
1 1 1 25  1   9  o 30.33310 7.703023  180.8086       142.2225 -41.75763      
224.6765 329.6205       183.7159 23.96835 10.75094 36.69786 11.03465 -12.72951 
15.40605 
1 1 1 25  1   10 o 32.31486 7.985358  236.0837       127.4555 266.0308       
224.7030 221.8782       154.7601 33.80685 12.25889 30.82286 10.23638 2.983997 
15.97072 
1 1 1 25  1   11 o 40.32387 8.462442  415.9528       153.8227 436.7922       
214.3573 393.8289       220.8650 41.40265 11.77227 39.24508 12.15999 2.157566 
16.92488 
1 1 1 25  1   12 o 31.22159 8.021954  153.2952       155.3040 -68.90430      
210.1792 420.5121       230.4891 22.30766 10.15714 40.13552 12.41932 -17.82786 
16.04391 
1 1 1 25  1   13 o 44.96604 8.026487  525.2590       162.1930 760.6407       
229.8753 291.9131       228.8790 55.64709 10.22147 34.28500 12.37819 21.36209 
16.05297 
1 1 1 25  1   14 o 37.40674 8.833632  372.4924       162.5027 372.6032       
220.2093 372.3600       240.7949 37.49639 12.21054 37.31709 12.76852 0.1793022 
17.66726 
1 1 1 25  1   15 o 21.34933 7.037766  -120.8505      155.7603 -60.61962      
209.0729 -195.9795      233.5028 22.05108 10.06502 20.64757 9.839506 1.403519 
14.07553 
1 1 1 25  1   16 o 31.30662 8.563579  214.8350       170.4826 371.8915       
240.0390 54.97388       242.1727 36.56394 12.72736 26.04930 11.46097 10.51464 
17.12716 
1 1 1 25  1   17 o 26.07816 8.197263  51.30801       178.9508 40.72567       
272.5396 59.32806       237.2614 26.42536 11.84723 25.73095 11.33242 0.6944141 
16.39453 
1 1 1 25  1   18 o 36.18504 9.482747  387.0465       191.1131 468.2343       
288.9821 323.9362       254.7858 38.61779 13.91213 33.75230 12.88963 4.865498 
18.96549 
1 1 1 25  1   19 o 41.64579 8.858007  524.4147       174.2346 660.4600       
244.3579 383.7131       248.5043 47.76506 12.15246 35.52652 12.89088 12.23854 
17.71601 
1 1 1 25  1   20 o 20.32478 6.886714  -180.0240      165.5761 -104.2633      
258.5946 -232.6656      215.5571 22.25550 10.49545 18.39406 8.919245 3.861439 
13.77343 
1 1 1 25  1   21 f 42.36034 8.864373  541.2408       173.3935 809.8289       
273.8767 361.5652       224.0042 50.85648 12.82183 33.86419 12.24374 16.99229 
17.72875 
1 1 1 25  1   22 o 29.53259 7.939878  202.3472       159.0269 -58.67751      
219.4859 490.8047       230.7314 20.86933 9.795166 38.19585 12.49886 -17.32651 
15.87976 
1 1 1 25  1   23 o 19.15615 6.594933  -175.9576      168.5592 -207.9711      
264.9948 -154.2026      218.4488 19.63502 9.605958 18.67729 9.038701 0.9577274 
13.18987 
1 1 1 25  1   24 o 20.01697 6.751296  -108.0533      169.6044 -394.4781      
263.8805 93.55573       221.3894 17.26681 8.633403 22.76713 10.38192 -5.500326 
13.50259 
1 1 1 25  2   0  o 27.49463 7.265561  140.9522       117.7485 209.1297       
153.0340 42.02032       184.3467 30.48424 10.17913 24.50502 10.37009 5.979219 
14.53112 
1 1 1 25  2   1  o 45.38581 7.866582  520.9432       150.8705 365.6505       
238.8084 624.0948       194.6311 38.86678 12.71574 51.90484 9.265118 -13.03806 
15.73316 
1 1 1 25  2   2  o 42.41896 7.931524  450.9035       150.7531 272.3380       
229.9014 585.6000       199.6739 34.84374 12.42303 49.99418 9.864314 -15.15044 
15.86305 
1 1 1 25  2   3  o 39.63060 7.597696  286.9698       149.3142 716.1599       
245.2018 34.02564       188.2397 54.76112 11.05250 24.50009 10.42795 30.26103 
15.19539 
1 1 1 25  2   4  o 52.49806 7.525346  638.9117       157.3378 739.2653       
252.1816 574.9506       201.3282 55.56330 11.20341 49.43282 10.05023 6.130478 
15.05069 
1 1 1 25  2   5  o 36.21779 7.105972  325.6158       125.7447 101.4441       
201.5017 468.5915       160.9235 27.38892 11.14105 45.04665 8.823622 -17.65773 
14.21194 
1 1 1 25  2   6  o 43.62409 7.909117  462.0258       145.7240 442.8532       
209.9617 479.8448       202.4151 42.62889 11.47586 44.61930 10.88675 -1.990410 
15.81823 
1 1 1 25  2   7  o 55.81573 7.296537  742.6622       164.6104 558.7727       
235.3775 918.6948       230.2943 47.67094 11.80710 63.96052 8.576148 -16.28959 
14.59307 
1 1 1 25  2   8  o 45.75228 7.241683  498.5003       135.8114 439.1088       
187.2677 564.3948       197.2539 42.68828 10.50619 48.81628 9.969347 -6.127998 
14.48337 
1 1 1 25  2   9  o 30.74908 7.845838  132.3402       140.0576 389.2406       
226.3697 -26.99753      178.2769 39.57523 12.32034 21.92294 9.717916 17.65228 
15.69168 
1 1 1 25  2   10 o 23.63841 6.858775  -10.46673      127.7742 186.9814       
171.7712 -255.0646      191.1835 29.53271 10.71730 17.74411 8.562171 11.78860 
13.71755 
1 1 1 25  2   11 f 31.21220 8.348062  201.9560       153.1744 268.6748       
211.4040 128.2189       222.2452 33.77379 11.92568 28.65061 11.68498 5.123175 
16.69612 
1 1 1 25  2   12 o 25.50462 7.714698  35.12343       149.1316 -45.95261      
204.1052 127.9799       218.4308 22.64085 10.19718 28.36839 11.57946 -5.727543 
15.42940 
1 1 1 25  2   13 o 30.44013 8.262300  190.9936       152.8783 267.4015       
206.2682 97.86152       227.7260 33.30357 11.77788 27.57668 11.59069 5.726894 
16.52460 
1 1 1 25  2   14 o 33.66210 7.971698  202.8335       157.7715 -59.54732      
211.7282 530.4228       236.5797 22.48578 10.22652 44.83842 12.23152 -22.35264 
15.94340 
1 1 1 25  2   15 o 34.24480 8.379303  231.7574       165.0571 6.720829       
217.6971 536.0460       253.1447 24.24144 10.74306 44.24815 12.86225 -20.00671 
16.75861 
1 1 1 25  2   16 o 41.55695 9.297905  487.7008       182.4319 451.6354       
263.4601 520.9229       252.8615 39.95271 13.35593 43.16119 12.93921 -3.208488 
18.59581 
1 1 1 25  2   17 o 33.24950 8.595920  274.5630       167.7072 428.4763       
233.1877 109.6569       241.3715 39.06589 12.55326 27.43312 11.74627 11.63277 
17.19184 
1 1 1 25  2   18 o 35.11572 8.840676  344.0762       159.0894 331.4314       
287.5693 349.6530       190.9758 34.42675 13.56106 35.80470 11.34583 -1.377949 
17.68135 
1 1 1 25  2   19 o 24.03090 7.598714  34.14995       147.3678 17.21054       
269.1492 41.40249       176.1120 25.45180 11.56336 22.61001 9.861562 2.841791 
15.19743 
1 1 1 25  2   20 o 30.59742 8.668279  228.3829       168.0741 368.5328       
266.7460 136.1064       216.4449 34.61325 13.19735 26.58158 11.24217 8.031672 
17.33656 
1 1 1 25  2   21 o 25.47406 8.038184  66.12039       171.0250 172.2912       
273.4979 -2.054066      219.1604 28.24758 12.30518 22.70055 10.34564 5.547022 
16.07637 
1 1 1 25  2   22 o 24.52309 7.673668  46.70792       170.4269 -201.0704      
267.0322 217.0027       221.3771 20.71168 10.01805 28.33451 11.62667 -7.622833 
15.34734 
1 1 1 25  2   23 o 25.69244 8.038431  89.04046       177.8784 321.6049       
264.5690 -102.8068      240.2952 30.65297 12.66386 20.73191 9.904153 9.921055 
16.07686 
1 1 1 25  2   24 f 27.87912 8.528440  239.7473       192.3616 46.10740       
265.4710 453.8153       279.1230 23.08841 10.82511 32.66984 13.18158 -9.581432 
17.05688 
1 1 1 25  2   25 o 23.67578 7.823198  74.90871       197.4088 264.1844       
281.0913 -109.3003      277.3036 26.76603 12.01502 20.58553 10.02242 6.180500 
15.64640 
1 1 1 25  3   0  o 69.62875 4.985323  1035.844       140.5978 964.5659       
174.6272 1167.196       237.0572 66.63231 6.242349 72.62519 7.774759 -5.992882 
9.970647 
1 1 1 25  3   1  o 73.17572 5.321537  1196.479       156.1253 1115.415       
256.8170 1244.002       196.6326 70.62193 8.661741 75.72951 6.184598 -5.107574 
10.64307 
1 1 1 25  3   2  o 38.63787 7.669284  345.1587       138.1988 522.7820       
199.9425 182.6719       191.2335 46.99095 10.41061 30.28479 11.26458 16.70615 
15.33857 
1 1 1 25  3   3  o 51.52477 7.666121  594.2643       158.1960 845.3270       
259.2170 445.2610       199.6965 59.94889 10.68284 43.10064 10.99794 16.84825 
15.33224 
1 1 1 25  3   4  o 23.74301 7.141431  30.42920       123.8302 -42.79947      
207.8393 70.72900       154.1837 23.42398 10.42760 24.06204 9.760395 
-0.6380615     14.28286 
1 1 1 25  3   5  o 27.61926 7.609355  124.9771       126.0830 98.21429       
166.0865 161.3778       193.6975 25.77806 10.25784 29.46045 11.24215 -3.682394 
15.21871 
1 1 1 25  3   6  o 59.15519 6.079467  707.8159       139.5462 1153.410       
244.8845 493.5410       169.8154 72.10520 8.089391 46.20518 9.077524 25.90002 
12.15893 
1 1 1 25  3   7  o 33.79768 8.392530  243.4176       143.9568 320.7949       
236.6823 197.9852       181.3602 36.97586 12.65901 30.61949 11.02215 6.356375 
16.78506 
1 1 1 25  3   8  o 44.53106 7.825095  499.3163       152.6096 298.0933       
229.5470 658.7067       204.2979 35.84305 12.44900 53.21906 9.484243 -17.37601 
15.65019 
1 1 1 25  3   9  o 22.63890 7.169846  -87.21545      140.1786 59.37863       
223.0142 -182.9626      180.2342 26.86491 11.38920 18.41288 8.712795 8.452036 
14.33969 
1 1 1 25  3   10 o 31.34151 7.900721  172.9451       133.4551 62.99904       
167.8083 362.1520       220.1365 24.28824 10.06307 38.39478 12.18278 -14.10655 
15.80144 
1 1 1 25  3   11 o 44.35511 8.444868  490.9045       160.5536 452.2140       
219.2018 535.6846       235.8224 42.52811 11.84454 46.18210 12.04035 -3.653992 
16.88974 
1 1 1 25  3   12 o 23.94887 7.338555  23.90053       132.9315 37.29866       
167.4999 1.103626       218.4894 23.18245 9.851010 24.71530 10.88004 -1.532846 
14.67711 
1 1 1 25  3   13 o 42.65542 8.146492  466.0209       151.4226 377.7559       
224.4050 539.8050       205.1727 38.51585 12.30838 46.79498 10.67545 -8.279125 
16.29298 
1 1 1 25  3   14 o 32.10718 8.455368  229.1043       159.4244 325.2728       
213.5141 107.9356       239.6654 35.91929 12.02348 28.29507 11.89155 7.624218 
16.91074 
1 1 1 25  3   15 o 43.05185 8.512732  494.6069       165.2558 610.7587       
225.9847 361.1012       242.2793 48.96803 11.22616 37.13566 12.79999 11.83237 
17.02546 
1 1 1 25  3   16 o 33.38177 9.229199  264.6513       185.6983 296.8871       
284.9653 240.8588       244.8173 34.57579 13.53200 32.18775 12.55379 2.388039 
18.45840 
1 1 1 25  3   17 o 38.92455 8.274886  351.4511       175.3206 733.9647       
260.8566 36.31307       236.7712 52.29374 12.11019 25.55537 11.27999 26.73837 
16.54977 
1 1 1 25  3   18 o 29.55770 8.325130  196.1904       148.7112 154.9312       
279.4051 212.4981       175.6587 29.57619 12.65003 29.53922 10.82625 
0.3697205E-01  16.65026 
1 1 1 25  3   19 o 33.83274 8.986411  300.4511       171.5546 425.2287       
271.4992 217.5185       221.3417 37.65855 13.49285 30.00692 11.87289 7.651628 
17.97282 
1 1 1 25  3   20 o 24.88071 7.706596  37.47429       164.6938 -174.8483      
260.6305 178.6130       212.4957 21.62345 10.32640 28.13798 11.44255 -6.514530 
15.41319 
1 1 1 25  3   21 o 32.35319 8.454552  302.3747       150.0339 257.6620       
271.9220 321.9442       179.8952 30.92282 12.81078 33.78355 11.03638 -2.860733 
16.90910 
1 1 1 25  3   22 o 52.87985 13.02742  715.4063       249.5765 466.9312       
265.1157 2650.554       739.8624 37.35998 13.33852 68.39973 22.38166 -31.03975 
26.05485 
1 1 1 25  3   23 o 26.20111 8.227805  35.47603       197.9311 -266.6680      
275.8246 356.2403       284.1967 20.09758 9.824789 32.30465 13.20078 -12.20708 
16.45561 
1 1 1 25  3   24 o 20.59407 6.914084  -114.7752      170.7676 -367.8582      
270.5135 52.89809       220.1858 18.35687 9.118532 22.83127 10.39570 -4.474394 
13.82817 
1 1 1 25  3   25 o 22.56558 7.628172  -40.30944      209.3286 -260.6744      
298.2737 173.5627       293.8466 19.70135 9.743940 25.42981 11.73932 -5.728456 
15.25634 
1 1 1 25  4   0  o 94.77202 4.481044  1963.127       170.2603 1993.998       
212.7309 1908.110       283.9915 96.31153 5.261061 93.23251 7.255361 3.079025 
8.962088 
1 1 1 25  4   1  o 35.33806 8.181896  292.3425       145.9438 168.9718       
228.2394 377.6765       189.8217 30.92715 12.10916 39.74897 11.00645 -8.821817 
16.36379 
1 1 1 25  4   2  o 72.71285 5.782050  1141.798       171.6151 1296.160       
283.9194 1052.932       215.4227 76.14795 8.880919 69.27776 7.406598 6.870193 
11.56410 
1 1 1 25  4   3  o 39.46355 8.493300  361.5477       149.8450 434.2773       
244.1265 317.5830       189.8067 42.22200 12.72510 36.70511 11.25240 5.516884 
16.98660 
1 1 1 25  4   4  o 84.00105 4.873172  1541.223       170.3287 1563.467       
227.4453 1512.819       257.0190 84.91486 6.379906 83.08724 7.368041 1.827621 
9.746345 
1 1 1 25  4   5  o 37.65005 8.154533  333.6657       140.6601 369.7423       
207.7718 303.1410       191.1171 39.32223 11.71696 35.97787 11.34453 3.344357 
16.30907 
1 1 1 25  4   6  o 25.93791 7.536426  42.69447       135.8724 175.0478       
205.9937 -59.23314      180.7725 30.47679 11.60412 21.39902 9.619529 9.077763 
15.07285 
1 1 1 25  4   7  o 42.66468 7.450501  429.5022       135.0743 561.0713       
196.4912 311.6217       185.9890 49.00208 9.897505 36.32728 11.13909 12.67480 
14.90100 
1 1 1 25  4   8  o 56.58767 6.406787  639.0508       138.9066 999.9858       
263.5201 500.1764       163.4596 66.48722 9.440535 46.68811 8.663948 19.79911 
12.81357 
1 1 1 25  4   9  o 64.54714 6.338854  928.5251       170.8754 1054.912       
257.1367 828.5739       228.6692 68.44757 8.948022 60.64671 8.980934 7.800861 
12.67771 
1 1 1 25  4   10 o 51.88832 7.923920  651.3903       168.0087 746.4573       
240.0970 560.1776       235.1797 56.04245 10.59063 47.73420 11.78951 8.308258 
15.84784 
1 1 1 25  4   11 o 42.90486 8.342080  458.3579       155.8824 504.9071       
213.8546 405.5870       227.6982 45.40564 11.25942 40.40408 12.31206 5.001568 
16.68416 
1 1 1 25  4   12 o 40.75249 8.398430  387.0768       162.2629 202.6910       
215.6225 627.8416       246.3922 31.32118 11.88781 50.18381 11.86653 -18.86263 
16.79686 
1 1 1 25  4   13 o 43.44807 8.007022  476.8323       148.3432 409.5526       
223.2956 529.9834       198.4697 40.21341 12.18022 46.68273 10.39673 -6.469326 
16.01404 
1 1 1 25  4   14 o 67.24709 5.880190  959.1442       157.7729 814.5485       
190.4780 1275.163       281.5938 60.21253 7.534927 74.28166 9.029476 -14.06913 
11.76038 
1 1 1 25  4   15 o 27.33502 8.149061  78.21983       164.1187 177.8571       
228.6344 -27.69415      235.7259 30.17019 12.02601 24.49985 11.00017 5.670341 
16.29812 
1 1 1 25  4   16 o 26.40636 8.203875  37.71629       174.6049 22.00208       
266.3507 49.55827       231.2170 26.74173 11.86304 26.07100 11.33502 0.6707287 
16.40775 
1 1 1 25  4   17 f 30.46669 8.712492  186.8130       167.6201 230.2583       
278.0291 162.0047       210.0958 32.30784 13.10607 28.62554 11.48307 3.682301 
17.42498 
1 1 1 25  4   18 o 32.19294 8.852592  231.9267       169.8446 365.6641       
271.7126 146.1575       217.5951 36.36124 13.44669 28.02465 11.51782 8.336594 
17.70518 
1 1 1 25  4   19 o 34.39347 7.500747  260.1845       167.0004 -235.9383      
261.5219 601.7861       217.0068 21.11720 10.14652 47.66973 11.04957 -26.55253 
15.00149 
1 1 1 25  4   20 o 35.27179 8.611699  351.1344       155.9717 401.7367       
221.7723 301.6084       219.4013 37.42073 12.25379 33.12284 12.10330 4.297894 
17.22340 
1 1 1 25  4   21 o 26.21133 8.054541  -12.60935      182.9028 316.6302       
267.1025 -303.2955      250.9771 33.09607 13.05920 19.32660 9.431848 13.76947 
16.10908 
1 1 1 25  4   22 o 30.93488 8.882330  235.6589       190.2104 55.01869       
262.8379 434.2854       275.6128 25.46994 11.51601 36.39982 13.52645 -10.92988 
17.76466 
1 1 1 25  4   23 o 27.70888 8.511796  148.1540       189.6559 5.291655       
263.8857 300.7893       272.7623 24.08129 11.11983 31.33646 12.89000 -7.255169 
17.02359 
1 1 1 25  4   24 o 27.89313 8.412766  207.2726       169.7460 168.9972       
216.0193 269.0551       274.4515 26.28408 11.17861 29.50217 12.57526 -3.218094 
16.82553 
1 1 1 25  4   25 o 38.31545 9.920807  630.5164       209.3791 608.8674       
302.6176 650.3976       289.9988 37.24023 14.09819 39.39067 13.96176 -2.150433 
19.84161 
1 1 1 25  4   26 o 19.83192 6.884402  -185.8449      198.2903 -241.8991      
289.7859 -136.4907      271.9161 19.49928 9.634400 20.16456 9.836579 
-0.6652851     13.76880 
1 1 1 25  5   0  o 35.95353 6.730286  279.3920       98.18846 230.5734       
118.7456 384.9314       174.5952 31.61140 8.684450 40.29566 10.28432 -8.684261 
13.46057 
1 1 1 25  5   1  o 70.26067 5.231434  1052.056       152.0033 1279.368       
241.4972 902.9176       195.6121 76.30943 7.537981 64.21191 7.256064 12.09752 
10.46287 
1 1 1 25  5   2  o 39.09115 7.245114  343.1778       119.1540 459.7701       
191.8232 269.9277       152.0444 44.09175 10.49875 34.09054 9.987135 10.00121 
14.49023 
1 1 1 25  5   3  f 35.41679 7.779120  286.1258       128.5147 355.1683       
191.4318 229.4789       173.3979 38.69326 11.16496 32.14032 10.83525 6.552948 
15.55824 
1 1 1 25  5   4  o 21.39544 6.879107  -90.99640      135.2525 -57.93893      
198.8085 -119.4789      184.5395 22.58952 10.12327 20.20137 9.317077 2.388149 
13.75821 
1 1 1 25  5   5  f 70.17642 6.025522  1095.086       176.7479 983.9608       
250.1200 1205.927       249.7988 66.40697 8.971308 73.94588 8.046323 -7.538910 
12.05104 
1 1 1 25  5   6  f 48.77682 7.429296  540.8334       147.3414 736.9011       
229.7068 403.7722       192.0561 56.35271 10.07252 41.20095 10.92346 15.15176 
14.85859 
1 1 1 25  5   7  o 36.96297 8.280069  324.8449       145.1988 262.8533       
230.0419 365.8967       187.2005 34.69570 12.42115 39.23025 10.95231 -4.534554 
16.56014 
1 1 1 25  5   8  o 29.06680 8.001406  146.5634       139.1274 121.4674       
222.0817 162.7753       178.4953 29.06938 11.74585 29.06421 10.86853 
0.5168915E-02  16.00281 
1 1 1 25  5   9  o 30.35337 8.239266  157.9366       151.2480 69.83794       
209.7593 253.3461       218.2894 26.77260 11.18129 33.93415 12.10457 -7.161558 
16.47853 
1 1 1 25  5   10 o 42.77841 7.057545  367.3071       140.2676 775.6268       
227.4734 116.7956       178.1740 58.56744 9.251143 26.98937 10.66077 31.57807 
14.11509 
1 1 1 25  5   11 o 27.03928 7.419546  108.8636       125.8809 12.73291       
176.0680 209.3846       180.0435 23.07786 9.960231 31.00071 10.99966 -7.922850 
14.83909 
1 1 1 25  5   12 o 59.49975 6.716659  794.1462       165.1521 908.3114       
263.0684 719.8820       212.1738 62.68805 9.995508 56.31144 8.974623 6.376614 
13.43332 
1 1 1 25  5   13 o 29.71498 8.071000  89.27473       157.5004 -113.8518      
209.1525 355.3394       239.3720 21.52520 9.924338 37.90475 12.73074 -16.37956 
16.14200 
1 1 1 25  5   14 o 31.01046 8.482607  180.4383       158.9324 98.19823       
213.0051 283.7289       238.7145 27.30138 11.32610 34.71954 12.63084 -7.418163 
16.96521 
1 1 1 25  5   15 o 85.99974 6.456377  1631.619       214.1002 1941.574       
401.0073 1508.037       253.2101 89.99226 10.61373 82.00723 7.354445 7.985039 
12.91275 
1 1 1 25  5   16 o 33.26906 8.529558  257.1430       155.1227 348.4988       
230.6492 181.6934       209.6101 36.80069 12.49663 29.73742 11.61240 7.063271 
17.05912 
1 1 1 25  5   17 o 28.05878 8.375279  113.8045       166.5384 87.21834       
271.1096 129.9164       211.0526 28.40933 12.31159 27.70824 11.35808 0.7010899 
16.75056 
1 1 1 25  5   18 o 24.14716 7.753080  -31.89323      167.2820 -49.08420      
274.1429 -21.69505      211.1486 25.20346 11.51282 23.09085 10.38730 2.112606 
15.50616 
1 1 1 25  5   19 o 26.88034 8.038863  94.71099       163.8408 -59.89278      
257.0838 200.4521       212.6114 24.05810 11.05590 29.70258 11.67306 -5.644485 
16.07773 
1 1 1 25  5   20 o 40.97853 9.161983  487.7804       189.7799 283.7450       
268.9776 690.0405       267.8049 32.88874 13.06455 49.06831 12.84855 -16.17957 
18.32397 
1 1 1 25  5   21 o 28.30854 8.680980  127.3321       193.2976 30.02259       
269.5918 230.2852       277.2993 25.75192 11.65223 30.86516 12.87102 -5.113247 
17.36196 
1 1 1 25  5   22 o 28.74961 8.578179  184.9760       175.3269 198.9459       
274.6577 175.3685       227.7715 29.45779 12.56889 28.04143 11.67748 1.416365 
17.15636 
1 1 1 25  5   23 o 27.05586 8.447460  128.7874       188.5312 144.5815       
263.0778 112.1122       270.3164 27.37373 11.99505 26.73800 11.89778 0.6357346 
16.89492 
1 1 1 25  5   24 o 24.51696 8.004642  22.01507       193.9879 -43.98730      
272.4448 89.88681       276.2760 23.21523 10.89927 25.81869 11.72617 -2.603460 
16.00928 
1 1 1 25  5   25 o 25.07862 7.940266  15.54411       181.9613 -244.3716      
241.1486 359.1880       277.2827 18.70424 9.153624 31.45300 12.97700 -12.74877 
15.88053 
1 1 1 25  5   26 o 22.99890 7.726835  15.87756       201.4902 118.5903       
294.3728 -74.66155      276.3781 24.63459 11.51612 21.36321 10.30509 3.271379 
15.45367 
1 1 1 25  5   27 o 24.84175 8.150668  154.6949       203.5470 274.6484       
298.6450 50.63086       278.1629 26.88954 12.20696 22.79396 10.80387 4.095581 
16.30134 
1 1 1 25  6   0  o 48.40150 6.541968  530.6078       129.5744 671.4857       
192.0515 412.8987       175.5502 54.98137 8.319997 41.82164 10.09787 13.15973 
13.08394 
1 1 1 25  6   1  o 19.03694 6.176764  -107.9639      107.6968 -18.09634      
177.5226 -160.3016      135.4750 22.38746 9.831440 15.68643 7.480139 6.701031 
12.35353 
1 1 1 25  6   2  f 49.71896 6.173789  568.7159       122.2009 504.6011       
190.6769 613.4042       159.1901 46.43628 10.06396 53.00165 7.153980 -6.565376 
12.34758 
1 1 1 25  6   3  o 29.60766 7.674586  171.7917       124.8648 203.0704       
184.3200 145.2627       169.7496 31.14776 11.12170 28.06756 10.57851 3.080198 
15.34917 
1 1 1 25  6   4  o 19.49820 6.264269  -77.87112      112.3273 -38.94806      
148.0071 -130.7430      172.5008 19.84772 8.819129 19.14869 8.898720 0.6990318 
12.52854 
1 1 1 25  6   5  o 28.07937 7.351346  109.7725       130.2183 -76.76115      
190.0932 274.6964       178.7433 21.60203 9.778972 34.55671 10.97911 -12.95468 
14.70269 
1 1 1 25  6   6  o 46.40023 7.677942  492.6576       145.8304 633.8269       
229.8204 397.5042       188.6822 51.83260 10.90501 40.96786 10.81129 10.86474 
15.35588 
1 1 1 25  6   7  o 127.1532 5.454629  3546.092       289.9907 3498.174       
391.7834 3604.157       431.2724 126.4423 7.380311 127.8641 8.033860 -1.421761 
10.90926 
1 1 1 25  6   8  o 39.43732 7.351068  324.1626       160.1019 -80.67659      
230.1072 704.0435       222.9013 23.80279 10.76799 55.07186 10.01015 -31.26907 
14.70214 
1 1 1 25  6   9  o 25.62537 7.421472  -18.86572      149.1241 217.8086       
202.6795 -298.2126      220.1943 32.16638 11.64475 19.08436 9.203956 13.08202 
14.84294 
1 1 1 25  6   10 o 47.83611 8.038580  546.4961       159.4484 461.1453       
216.0138 648.6678       236.3432 43.60643 11.59553 52.06579 11.13637 -8.459362 
16.07716 
1 1 1 25  6   11 o 38.83746 8.681276  363.8938       158.8235 325.2691       
220.5705 405.4838       228.8805 36.99400 12.22054 40.68093 12.33355 -3.686928 
17.36255 
1 1 1 25  6   12 o 31.73766 8.575082  200.5927       159.2878 222.7614       
218.0502 175.2253       233.2512 32.43565 12.03568 31.03967 12.21763 1.395979 
17.15016 
1 1 1 25  6   13 o 26.07178 7.941183  34.16830       158.5783 82.39035       
207.8713 -32.96435      245.2667 26.81440 11.16041 25.32918 11.30021 1.485220 
15.88237 
1 1 1 25  6   14 o 30.12608 8.423699  163.3483       160.9836 229.4886       
212.1987 73.66541       247.0953 32.24680 11.89127 28.00535 11.93451 4.241455 
16.84740 
1 1 1 25  6   15 o 70.77327 6.154304  1131.328       181.1780 1262.955       
280.2931 1036.863       237.4520 74.04563 9.016418 67.50092 8.378902 6.544716 
12.30861 
1 1 1 25  6   16 o 41.44169 9.067972  418.9220       169.4925 602.8869       
285.8620 319.1870       210.4808 47.18352 13.65292 35.69986 11.93777 11.48366 
18.13594 
1 1 1 25  6   17 o 53.11767 8.488990  771.8964       184.9358 560.5531       
308.4001 890.5678       231.0966 44.47837 14.45021 61.75696 8.913096 -17.27859 
16.97798 
1 1 1 25  6   18 o 24.06842 7.569587  4.616720       142.5342 41.89300       
257.6801 -11.81676      171.0919 26.72857 11.78660 21.40828 9.501089 5.320286 
15.13917 
1 1 1 25  6   19 o 31.58480 8.949561  227.7414       180.4585 215.1919       
263.4859 238.8287       247.6622 31.32726 12.74095 31.84234 12.57166 
-0.5150814     17.89912 
1 1 1 25  6   20 o 29.08846 8.748464  126.1370       193.5574 269.3893       
273.1524 -18.33662      274.3144 32.74274 13.11054 25.43418 11.58690 7.308554 
17.49693 
1 1 1 25  6   21 o 40.38354 9.730268  501.7909       198.2281 536.9816       
282.1002 467.4666       278.6061 41.70466 13.82033 39.06243 13.70076 2.642227 
19.46054 
1 1 1 25  6   22 o 26.64307 8.160054  106.9245       171.1584 15.37931       
262.6056 174.5340       225.6785 25.07707 11.40079 28.20906 11.67766 -3.131989 
16.32011 
1 1 1 25  6   23 o 24.18473 7.912605  -24.43965      190.6548 18.80280       
272.3912 -65.97008      266.9445 25.07111 11.46219 23.29835 10.91125 1.772758 
15.82521 
1 1 1 25  6   24 o 29.68737 8.659905  236.4762       182.2099 342.8384       
246.7156 108.8466       270.2581 32.93439 12.65285 26.44035 11.82714 6.494043 
17.31981 
1 1 1 25  6   25 o 26.09774 8.020406  150.2031       164.8741 113.8636       
240.2214 182.5668       226.6999 25.28995 11.23662 26.90553 11.44753 -1.615576 
16.04081 
1 1 1 25  6   26 o 25.37234 8.201974  92.43912       203.3919 320.1674       
291.1492 -124.6302      284.2538 29.43596 12.75752 21.30873 10.31189 8.127226 
16.40395 
1 1 1 25  6   27 o 23.79502 7.854682  69.20361       199.0184 -125.6267      
279.2323 270.3621       283.7308 20.52122 10.00291 27.06883 12.11305 -6.547606 
15.70936 
1 1 1 25  7   0  o 49.47750 6.538292  550.7477       131.0087 783.2251       
197.6140 368.4525       174.9907 59.54109 7.905367 39.41392 10.41644 20.12717 
13.07658 
1 1 1 25  7   1  o 31.37457 7.652029  214.6167       122.3394 220.6895       
177.7732 209.1532       168.6176 31.75578 10.96258 30.99337 10.67876 0.7624111 
15.30406 
1 1 1 25  7   2  o 29.75217 7.386763  149.1428       124.1946 317.3417       
185.4041 12.24036       167.2682 36.76408 11.09142 22.74027 9.758967 14.02381 
14.77353 
1 1 1 25  7   3  o 24.51570 6.290233  30.87461       113.3635 -350.6100      
189.3276 244.0888       141.5414 16.42394 8.057387 32.60746 9.661606 -16.18352 
12.58047 
1 1 1 25  7   4  o 28.95615 7.681746  155.8326       127.4252 117.5756       
184.4770 190.7413       176.2194 27.52085 10.85498 30.39145 10.87227 -2.870600 
15.36349 
1 1 1 25  7   5  o 40.79585 7.192914  389.3299       122.6805 376.9971       
167.5281 403.5914       180.1517 40.15604 9.970344 41.43566 10.37036 -1.279613 
14.38583 
1 1 1 25  7   6  o 48.08423 7.205283  545.2814       140.2858 490.4661       
210.8342 588.8313       187.9244 45.43289 11.12674 50.73558 9.157516 -5.302689 
14.41057 
1 1 1 25  7   7  o 22.00829 6.799581  -81.05319      117.1561 111.7210       
201.6252 -179.3159      143.9509 28.02504 11.24628 15.99154 7.645803 12.03349 
13.59916 
1 1 1 25  7   8  o 62.05039 6.290829  843.6073       158.7998 802.0013       
199.3167 915.9171       262.7628 60.38275 7.862339 63.71804 9.822511 -3.335289 
12.58166 
1 1 1 25  7   9  o 30.11420 8.163121  160.0884       147.5101 225.1893       
203.2259 87.59934       214.4478 32.54975 11.67258 27.67865 11.41477 4.871094 
16.32624 
1 1 1 25  7   10 o 61.74933 6.787887  859.6433       170.2826 710.9305       
228.6211 1044.939       255.1965 55.15067 10.25711 68.34800 8.893445 -13.19733 
13.57577 
1 1 1 25  7   11 o 30.99952 7.618090  83.22129       138.4958 -115.2078      
172.3660 444.7089       232.6460 19.40945 8.971884 42.58960 12.31448 -23.18015 
15.23618 
1 1 1 25  7   12 o 45.09632 8.374112  502.1772       162.0590 575.2615       
224.4385 422.5648       234.2481 48.79344 11.18875 41.39920 12.46254 7.394241 
16.74822 
1 1 1 25  7   13 o 21.53699 7.090853  -149.5545      155.7404 -129.1526      
210.3304 -174.3171      231.7203 21.38235 9.894139 21.69164 10.16006 
-0.3092880     14.18171 
1 1 1 25  7   14 o 41.35068 7.751969  419.6231       136.6161 407.4842       
202.6429 429.7373       184.9727 40.61710 11.41321 42.08426 10.49337 -1.467167 
15.50394 
1 1 1 25  7   15 o 37.84568 8.722099  366.0877       170.4136 177.1254       
278.5134 479.1669       215.4517 31.95981 13.06537 43.73156 11.55838 -11.77174 
17.44420 
1 1 1 25  7   16 o 40.73921 8.207851  297.3760       168.8884 828.3529       
288.3998 20.25104       208.3507 56.86540 12.42276 24.61301 10.73081 32.25239 
16.41570 
1 1 1 25  7   17 o 23.50041 7.409064  -63.23036      160.7105 -352.8347      
268.0261 99.33965       200.8144 20.43312 9.919772 26.56770 11.00795 -6.134577 
14.81813 
1 1 1 25  7   18 o 43.68589 8.494199  490.9209       156.3249 560.2256       
259.0140 451.2117       196.0594 45.38008 12.95249 41.99170 10.99266 3.388378 
16.98840 
1 1 1 25  7   19 o 34.60583 9.287447  304.4391       186.2372 254.3831       
257.0617 359.7368       270.1863 32.69476 12.83973 36.51691 13.42267 -3.822151 
18.57489 
1 1 1 25  7   20 o 47.00270 9.270213  624.2333       192.5789 498.2590       
264.3724 766.6443       281.0911 41.54126 13.36809 52.46414 12.84685 -10.92288 
18.54043 
1 1 1 25  7   21 o 31.10731 9.069855  216.9639       193.8387 133.3663       
272.8785 302.1120       275.3976 28.65619 12.38418 33.55843 13.25448 -4.902241 
18.13971 
1 1 1 25  7   22 o 42.52060 8.866336  544.2947       177.4561 390.2659       
267.2493 665.7643       237.3283 36.06270 13.33589 48.97850 11.68767 -12.91580 
17.73267 
1 1 1 25  7   23 o 31.87058 8.867108  286.1450       173.8537 306.4277       
224.1843 255.5439       275.3661 32.67353 12.18786 31.06763 12.88249 1.605900 
17.73422 
1 1 1 25  7   24 o 36.05756 9.196550  422.3272       181.7970 484.4640       
244.2344 345.1240       272.2389 38.96966 12.85939 33.14545 13.15075 5.824207 
18.39310 
1 1 1 25  7   25 f 35.65063 9.070534  437.6808       181.0444 324.6936       
294.3015 506.4704       229.6359 31.60016 13.22389 39.70110 12.41882 -8.100937 
18.14107 
1 1 1 25  7   26 o 31.33742 9.181913  335.3546       208.7504 143.1802       
293.1278 533.1086       297.3528 26.31511 11.98538 36.35973 13.91333 -10.04462 
18.36383 
1 1 1 25  7   27 o 19.88713 6.901644  -217.8510      199.8263 -87.87873      
274.8456 -363.5945      291.0436 21.14225 10.21546 18.63200 9.283060 2.510246 
13.80329 
1 1 1 25  7   28 o 18.30833 6.393991  -241.8512      176.8371 -223.4759      
274.3675 -254.9089      231.2861 19.18290 9.453137 17.43375 8.612238 1.749147 
12.78798 
1 1 1 25  8   0  o 42.23351 8.012485  427.0145       142.9874 417.7310       
183.9275 441.1961       227.3280 41.92281 10.47011 42.54421 12.13163 
-0.6214027     16.02497 
1 1 1 25  8   1  o 36.18920 7.593507  301.1772       125.9095 393.4828       
185.0889 221.6683       171.7806 40.69931 10.69289 31.67909 10.78460 9.020224 
15.18701 
1 1 1 25  8   2  o 50.89228 6.330452  591.5626       130.8738 508.2030       
189.0059 668.3442       181.3954 46.66557 9.942469 55.11899 7.838739 -8.453419 
12.66090 
1 1 1 25  8   3  o 21.96053 6.776372  -32.88416      122.4208 -139.3375      
178.8840 60.89303       167.8961 19.39147 9.030931 24.52958 10.10540 -5.138111 
13.55274 
1 1 1 25  8   4  f 62.84467 5.338932  865.7833       140.5988 827.7863       
201.8222 901.6125       195.9800 61.40643 7.828455 64.28290 7.261684 -2.876469 
10.67786 
1 1 1 25  8   5  o 70.91716 5.159028  1098.086       153.0318 1088.166       
225.6125 1106.539       208.2660 70.49710 7.622773 71.33722 6.953818 
-0.8401184     10.31806 
1 1 1 25  8   6  o 23.77301 7.241922  9.459214       131.1325 -36.30934      
202.9663 42.25238       171.8035 23.46312 10.38883 24.08291 10.09227 
-0.6197872     14.48384 
1 1 1 25  8   7  o 46.89115 7.502869  510.3333       143.8473 593.2515       
217.8185 446.2000       191.5630 50.26907 10.64644 43.51323 10.57476 6.755844 
15.00574 
1 1 1 25  8   8  o 23.51886 7.101620  -74.04925      135.1441 154.8152       
204.5030 -251.4858      180.0661 29.74477 11.49981 17.29296 8.335855 12.45181 
14.20324 
1 1 1 25  8   9  o 63.73336 6.347829  882.2520       156.8048 844.5491       
187.1790 970.9781       287.1409 62.19427 7.168493 65.27245 10.47819 -3.078186 
12.69566 
1 1 1 25  8   10 f 59.73024 7.156323  833.1492       171.7893 920.1028       
231.1662 725.8973       256.7337 64.32513 8.559823 55.13535 11.47089 9.189789 
14.31265 
1 1 1 25  8   11 o 36.77866 8.615755  318.1219       158.0719 383.7774       
210.7701 233.7215       238.9713 39.91633 11.77948 33.64099 12.57651 6.275341 
17.23151 
1 1 1 25  8   12 o 54.14974 6.497613  671.4801       143.1566 684.4240       
192.0546 655.2962       214.7490 55.43618 8.251872 52.86330 10.03905 2.572880 
12.99523 
1 1 1 25  8   13 o 45.26579 8.760235  514.1913       172.1665 560.6284       
231.9115 457.1754       256.9731 47.83590 11.64147 42.69569 13.09362 5.140205 
17.52047 
1 1 1 25  8   14 o 38.24586 9.052504  341.1661       166.4718 445.6795       
275.1791 280.8386       209.0677 41.87528 13.64975 34.61643 11.89436 7.258850 
18.10501 
1 1 1 25  8   15 o 51.89167 8.402763  685.1845       178.4548 578.0608       
294.2164 747.5319       224.4571 46.80377 13.94230 56.97957 9.382861 -10.17580 
16.80553 
1 1 1 25  8   16 o 48.55337 8.190728  543.3703       155.8680 758.1519       
281.6889 448.5888       187.1255 54.36916 12.58032 42.73758 10.49227 11.63158 
16.38146 
1 1 1 25  8   17 o 58.97093 8.196104  915.1424       195.3804 567.1533       
289.6036 1205.841       264.6930 45.61840 13.88209 72.32347 8.717345 -26.70507 
16.39221 
1 1 1 25  8   18 o 32.86175 9.080456  242.0321       182.0618 204.9721       
255.5547 280.2267       259.4376 31.55600 12.66211 34.16750 13.01882 -2.611504 
18.16091 
1 1 1 25  8   19 o 48.66326 7.902172  568.6327       168.7488 953.4507       
266.4059 310.7696       218.0775 62.60906 10.13509 34.71746 12.12671 27.89160 
15.80434 
1 1 1 25  8   20 o 33.77557 9.291617  288.6614       189.8668 320.7144       
263.9236 254.2782       273.3489 34.84686 13.17370 32.70430 13.10688 2.142559 
18.58323 
1 1 1 25  8   21 o 22.21678 7.323525  -192.9850      169.1308 -393.0231      
221.8856 84.41231       261.2905 17.14060 8.459709 27.29296 11.95698 -10.15235 
14.64705 
1 1 1 25  8   22 o 29.75026 8.391582  132.2027       170.8932 420.4074       
264.6771 -73.84318      223.7936 37.48899 13.33320 22.01152 10.19316 15.47747 
16.78316 
1 1 1 25  8   23 o 32.93342 8.994234  271.4033       196.5834 20.47390       
281.5188 510.2040       274.6310 25.74789 11.73203 40.11894 13.63615 -14.37105 
17.98847 
1 1 1 25  8   24 o 25.68759 8.344370  18.03758       205.1820 107.9348       
302.5330 -58.53337      279.2104 27.56147 12.41400 23.81371 11.15377 3.747763 
16.68874 
1 1 1 25  8   25 o 22.54899 7.495566  -71.10830      174.7223 20.52041       
282.6547 -127.7716      222.2754 24.91406 11.50594 20.18393 9.609755 4.730129 
14.99113 
1 1 1 25  8   26 o 22.17226 7.491205  -174.5541      205.3311 -459.9458      
296.1696 89.57077       284.9209 18.75571 9.347459 25.58881 11.70887 -6.833094 
14.98241 
1 1 1 25  8   27 o 36.42674 8.898793  446.8744       207.5424 935.6329       
304.0013 20.21329       284.0337 49.55032 13.99714 23.30316 10.99246 26.24717 
17.79759 
1 1 1 25  8   28 o 26.72058 8.290679  181.0750       199.0988 -145.0825      
283.1674 499.9669       279.9957 20.35466 9.951453 33.08649 13.26311 -12.73183 
16.58136 
1 1 1 25  9   0  o 56.03657 10.23542  735.4753       231.8572 735.4753       
231.8572 0.000000       0.000000 56.03657 10.23542 ?        ?        ? ? 
1 1 1 25  9   1  o 26.70330 7.957754  26.71404       162.6282 -170.3550      
254.6312 162.4834       211.3506 23.24653 10.80633 30.16008 11.68446 -6.913546 
15.91551 
1 1 1 25  9   2  o 66.06391 4.990881  943.8351       137.0749 1144.921       
203.4301 776.6115       185.5127 72.58525 6.675564 59.54258 7.421079 13.04268 
9.981762 
1 1 1 25  9   3  o 26.35971 7.233687  87.68224       124.2362 -51.54638      
183.5745 205.3358       168.7527 21.84747 9.760782 30.87195 10.67858 -9.024485 
14.46737 
1 1 1 25  9   4  o 57.20160 5.705946  723.9426       135.8888 686.9310       
202.1855 754.4357       183.5192 55.66212 8.651896 58.74107 7.441504 -3.078949 
11.41189 
1 1 1 25  9   5  o 26.05037 7.529685  72.95773       129.4337 117.9185       
199.1413 40.07151       170.3143 28.17929 11.22636 23.92145 10.03760 4.257849 
15.05937 
1 1 1 25  9   6  o 84.22988 4.550617  1533.429       160.5985 1512.314       
219.6457 1557.685       235.4147 83.67772 6.252215 84.78204 6.613794 -1.104324 
9.101234 
1 1 1 25  9   7  o 38.54900 7.434477  351.4682       137.4946 131.7398       
203.4266 536.2701       186.5597 28.86477 11.39449 48.23322 9.552555 -19.36845 
14.86895 
1 1 1 25  9   8  o 34.87867 7.459812  259.3387       139.6806 12.69667       
205.6443 470.5933       190.3209 24.96593 10.76959 44.79141 10.32526 -19.82548 
14.91962 
1 1 1 25  9   9  o 87.05286 5.333591  1670.305       192.9227 1932.787       
272.6625 1407.161       273.0057 94.24613 6.891012 79.85958 8.142650 14.38655 
10.66718 
1 1 1 25  9   10 f 62.95705 6.723701  914.9496       169.8945 1047.226       
232.7740 764.1556       248.5338 68.87591 8.049859 57.03818 10.77183 11.83773 
13.44740 
1 1 1 25  9   11 o 83.57639 5.744853  1545.561       199.4883 1540.183       
264.0129 1552.717       304.5471 83.72192 7.511161 83.43087 8.694585 0.2910461 
11.48971 
1 1 1 25  9   12 o 25.15456 7.859807  -29.86058      160.6128 -79.12856      
208.8781 41.40594       251.2195 22.54163 10.22511 27.76748 11.93957 -5.225859 
15.71961 
1 1 1 25  9   13 o 29.62264 8.055326  146.1498       144.4867 58.65604       
195.6316 251.1524       214.3140 25.63297 10.75688 33.61232 11.99344 -7.979351 
16.11065 
1 1 1 25  9   14 o 30.58892 8.640314  160.9450       167.4799 98.48215       
269.2075 200.3851       213.9170 29.80233 12.56774 31.37550 11.86053 -1.573170 
17.28063 
1 1 1 25  9   15 o 29.01949 8.489210  110.4746       163.0537 160.0571       
271.1907 82.40202       204.0569 31.45067 12.88071 26.58830 11.06138 4.862370 
16.97842 
1 1 1 25  9   16 o 40.28472 8.511195  427.9682       171.8842 172.2869       
278.5757 585.1435       218.4168 31.79323 13.04363 48.77621 10.93735 -16.98298 
17.02239 
1 1 1 25  9   17 o 41.95078 9.152460  418.2248       172.8723 300.8048       
212.8611 645.7181       296.2848 34.99516 12.00398 48.90640 13.81935 -13.91124 
18.30492 
1 1 1 25  9   18 f 37.07726 9.422550  351.4034       187.8516 296.2170       
261.8169 409.9553       269.6822 34.91756 13.14212 39.23697 13.50639 -4.319401 
18.84510 
1 1 1 25  9   19 o 57.97090 8.289763  865.4421       194.7294 838.8858       
273.0277 892.9371       277.8124 56.95128 11.81473 58.99051 11.63154 -2.039230 
16.57953 
1 1 1 25  9   20 o 25.02048 7.730910  16.45595       162.6426 -163.8158      
255.9511 138.5466       210.6369 22.29880 10.49411 27.74217 11.35524 -5.443369 
15.46182 
1 1 1 25  9   21 o 23.05908 7.436790  -144.4868      164.8002 142.3801       
253.9267 -353.2520      216.6194 28.74504 12.16791 17.37312 8.553668 11.37192 
14.87358 
1 1 1 25  9   22 o 54.27047 9.170244  833.7211       210.6705 592.7623       
283.9080 1128.965       314.2657 44.15106 13.80814 64.38987 12.07099 -20.23881 
18.34049 
1 1 1 25  9   23 o 26.68950 8.495108  35.39719       201.2255 177.9575       
297.7372 -84.47449      273.0185 29.75359 12.89820 23.62541 11.05911 6.128185 
16.99022 
1 1 1 25  9   24 o 22.99038 7.662303  -130.6389      197.0228 -290.2955      
284.7281 16.04147       272.9121 20.81438 10.13774 25.16637 11.49216 -4.351992 
15.32461 
1 1 1 25  9   25 o 27.65449 8.524673  128.7744       180.5269 303.1642       
297.6459 27.29149       227.0575 31.73056 13.28986 23.57843 10.67988 8.152130 
17.04935 
1 1 1 25  9   26 o 20.25254 6.998622  -274.8039      197.1898 -399.8639      
281.3783 -154.1083      276.4247 18.90279 9.376783 21.60230 10.39225 -2.699505 
13.99724 
1 1 1 25  9   27 o 27.87226 8.626268  218.7821       197.6760 84.03182       
281.2478 350.3383       277.8945 24.81466 11.46661 30.92985 12.89057 -6.115187 
17.25254 
1 1 1 25  9   28 o 21.28414 7.108910  -1.233036      162.6165 -46.98060      
278.5712 22.41446       200.2833 21.68508 10.43218 20.88320 9.660020 0.8018799 
14.21782 
1 1 1 25  10  0  o 77.85092 6.222571  1363.208       202.7199 1457.362       
283.7097 1264.991       289.7646 80.84998 8.358250 74.85187 9.220696 5.998116 
12.44514 
1 1 1 25  10  1  f 54.32823 11.62954  710.4523       257.5656 0.000000       
0.000000 710.4523       257.5656 ?        ?        54.32823 11.62954 ? ? 
1 1 1 25  10  2  o 62.35209 7.927016  968.5031       191.1780 681.3337       
301.5179 1161.568       247.2266 52.22428 13.61405 72.47990 8.124537 -20.25562 
15.85403 
1 1 1 25  10  3  o 24.56616 7.357136  18.71581       133.2802 -53.02868      
180.8333 104.0363       197.2018 21.61930 9.672470 27.51303 11.08842 -5.893734 
14.71427 
1 1 1 25  10  4  o 65.31642 5.591726  932.4657       149.1363 963.0832       
241.9025 913.6929       189.4170 65.84291 8.750894 64.78992 6.963580 1.052986 
11.18345 
1 1 1 25  10  5  o 44.01831 7.416925  466.9286       136.4908 353.8361       
204.5141 557.7572       183.2809 38.69467 11.64402 49.34195 9.190207 -10.64728 
14.83385 
1 1 1 25  10  6  o 87.68614 4.589460  1658.735       168.5609 1581.745       
229.0326 1749.717       248.9766 85.51954 6.379006 89.85275 6.600064 -4.333214 
9.178920 
1 1 1 25  10  7  o 55.54522 6.774624  703.4543       153.5490 779.4462       
215.9569 625.7581       218.3652 59.29411 8.675143 51.79632 10.40788 7.497787 
13.54925 
1 1 1 25  10  8  o 46.30047 7.255723  486.3881       143.5508 724.9724       
213.8766 290.7960       193.6502 57.07748 8.925232 35.52346 11.44213 21.55401 
14.51145 
1 1 1 25  10  9  o 39.04715 7.645055  323.0128       140.3004 585.8488       
218.1772 137.6883       183.2033 49.85294 10.73136 28.24137 10.89153 21.61157 
15.29011 
1 1 1 25  10  10 f 25.31412 7.175738  18.70110       131.3846 -169.7780      
184.9592 210.6711       186.6642 19.11626 8.975860 31.51199 11.19816 -12.39573 
14.35148 
1 1 1 25  10  11 o 31.85732 8.417405  179.9678       157.2230 63.73005       
214.6170 314.6023       230.9770 26.86735 11.27045 36.84728 12.50551 -9.979929 
16.83481 
1 1 1 25  10  12 o 65.00826 6.509320  975.6526       168.6352 756.6364       
241.1177 1185.361       235.9389 56.70532 10.52247 73.31119 7.665674 -16.60587 
13.01864 
1 1 1 25  10  13 o 56.15981 7.597071  814.4769       160.1044 550.5052       
277.1847 946.6403       196.1310 46.66495 13.42507 65.65466 7.115442 -18.98970 
15.19414 
1 1 1 25  10  14 o 42.19753 8.129032  394.5206       142.4542 598.1520       
250.9993 297.7615       173.0199 49.05616 12.21857 35.33891 10.72526 13.71726 
16.25806 
1 1 1 25  10  15 o 57.34528 8.228582  771.6375       183.6440 935.9891       
316.7735 688.4380       225.3835 61.01374 12.77775 53.67683 10.37147 7.336918 
16.45716 
1 1 1 25  10  16 o 25.55585 7.953303  -43.67708      172.3707 128.2770       
250.5176 -198.2742      237.5378 29.69804 12.29937 21.41367 10.08690 8.284367 
15.90661 
1 1 1 25  10  17 o 68.26151 7.004090  1098.611       199.1545 1056.263       
296.0073 1133.634       269.1925 66.52785 10.59790 69.99516 9.160433 -3.467308 
14.00818 
1 1 1 25  10  18 o 30.97091 8.744769  151.7005       183.4646 -29.62182      
259.1309 333.9417       259.7866 25.52094 11.49232 36.42089 13.18372 -10.89995 
17.48954 
1 1 1 25  10  19 o 32.38904 8.809969  194.0808       187.3258 418.8005       
261.5903 -42.45128      268.3775 39.36031 13.30846 25.41777 11.54760 13.94254 
17.61994 
1 1 1 25  10  20 o 39.59811 9.219786  422.2524       186.8186 256.3914       
260.9686 596.5939       267.5573 32.88316 12.92955 46.31306 13.14704 -13.42990 
18.43957 
1 1 1 25  10  21 o 28.84692 8.602906  102.9528       188.6305 -81.60379      
266.6454 287.8375       266.8823 24.10093 11.14755 33.59292 13.10618 -9.491991 
17.20581 
1 1 1 25  10  22 o 24.58260 7.975254  -54.94141      190.7239 -156.0854      
271.9067 43.01916       267.5935 22.76028 10.74191 26.40492 11.79110 -3.644644 
15.95051 
1 1 1 25  10  23 o 28.69555 8.787644  132.4632       198.4872 23.29224       
281.1686 240.9144       280.2403 26.05913 11.83382 31.33197 12.99429 -5.272840 
17.57529 
1 1 1 25  10  24 o 31.89986 9.293234  275.5593       201.3852 333.1167       
293.0326 224.0432       277.2276 33.50673 13.51149 30.29299 12.76309 3.213736 
18.58647 
1 1 1 25  10  25 o 47.34499 9.897876  749.1424       216.5665 908.6425       
307.7491 592.6694       304.8146 53.54654 13.64664 41.14344 14.34019 12.40310 
19.79575 
1 1 1 25  10  26 o 28.61704 8.721058  209.4114       190.3059 213.2064       
273.4940 205.8492       264.9745 28.75645 12.41244 28.47762 12.25392 0.2788296 
17.44212 
1 1 1 25  10  27 o 23.39865 7.690652  5.222436       183.0716 93.19849       
274.1000 -65.62931      245.9812 25.22232 11.51748 21.57497 10.19472 3.647348 
15.38130 
1 1 1 25  10  28 o 22.73405 7.292535  45.07465       166.1523 -253.7090      
285.0861 198.7690       204.4686 19.60353 9.654587 25.86456 10.93221 -6.261030 
14.58507 
1 1 1 25  10  29 o 24.54503 7.976682  157.1033       188.3660 116.6327       
272.5044 194.1349       260.6690 23.83551 11.11828 25.25455 11.44087 -1.419044 
15.95336 
1 1 1 25  11  0  o 51.80583 8.764085  672.9778       189.6588 548.3857       
277.7459 781.8287       259.6080 46.52952 13.45578 57.08214 11.23294 -10.55262 
17.52817 
1 1 1 25  11  1  o 48.82313 8.720422  535.4644       178.2513 851.2785       
297.9567 359.4346       222.4491 59.00095 12.41945 38.64532 12.24501 20.35563 
17.44084 
1 1 1 25  11  2  o 30.92933 8.592584  153.8781       156.8918 230.3984       
266.9329 113.4916       193.9241 34.22037 13.15737 27.63829 11.05503 6.582079 
17.18517 
1 1 1 25  11  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  11  4  o 36.24774 8.877485  250.8076       161.5029 463.0174       
278.5288 143.3196       198.2291 43.46381 13.69339 29.03168 11.30177 14.43213 
17.75497 
1 1 1 25  11  5  o 21.70469 6.860564  -51.55728      126.6943 -29.83301      
192.6643 -68.10867      168.1689 23.01075 10.16365 20.39864 9.217896 2.612118 
13.72113 
1 1 1 25  11  6  o 20.55691 6.711892  -125.9726      132.0595 -80.83500      
209.8526 -155.5678      169.9246 22.70415 10.27644 18.40966 8.636712 4.294489 
13.42378 
1 1 1 25  11  7  o 57.72784 6.405575  772.7462       145.8648 558.1919       
210.3631 971.4297       202.4333 48.73383 10.57835 66.72185 7.226617 -17.98802 
12.81115 
1 1 1 25  11  8  o 38.99459 7.969202  364.7451       138.7306 305.2456       
214.9176 407.2466       181.6427 36.40904 12.06293 41.58014 10.41722 -5.171104 
15.93840 
1 1 1 25  11  9  o 25.32017 6.830103  -53.72800      131.2926 280.8000       
187.2992 -376.9034      184.0937 34.92603 11.25326 15.71430 7.743729 19.21173 
13.66021 
1 1 1 25  11  10 o 37.83093 7.746192  337.5373       130.6942 293.6692       
183.1022 383.1007       186.6067 35.49395 11.08669 40.16791 10.82124 -4.673962 
15.49238 
1 1 1 25  11  11 o 64.18382 5.454102  910.4135       145.2798 1076.966       
207.5670 750.4668       203.4093 70.21104 7.041643 58.15660 8.330916 12.05444 
10.90820 
1 1 1 25  11  12 f 34.08511 8.769250  252.3931       163.9745 175.5834       
261.0132 302.4711       210.7552 32.17239 12.84145 35.99782 11.94555 -3.825424 
17.53850 
1 1 1 25  11  13 o 67.08134 8.003281  1090.476       212.4108 753.4443       
302.1655 1419.719       298.6538 54.75898 13.26463 79.40370 8.958769 -24.64472 
16.00656 
1 1 1 25  11  14 o 65.80828 7.536476  1041.239       196.4293 876.3802       
299.1657 1166.171       260.4309 59.60472 12.36896 72.01183 8.614097 -12.40711 
15.07295 
1 1 1 25  11  15 o 26.14135 8.055687  -11.86693      167.8691 124.0634       
255.1544 -115.6084      222.9056 29.95389 12.40945 22.32882 10.27531 7.625063 
16.11137 
1 1 1 25  11  16 o 54.88522 8.224089  758.1605       188.0296 516.7800       
270.7467 983.0443       261.3311 44.55786 13.39528 65.21259 9.545107 -20.65474 
16.44818 
1 1 1 25  11  17 o 53.73435 8.859385  724.9134       200.0462 492.2669       
266.7176 1024.085       302.4568 43.23166 13.35620 64.23704 11.64331 -21.00538 
17.71877 
1 1 1 25  11  18 o 26.06718 7.985469  -0.5573794     162.7124 174.1260       
256.1853 -118.6709      210.6581 30.86100 12.55922 21.27337 9.865949 9.587629 
15.97094 
1 1 1 25  11  19 o 21.13058 7.141459  -257.2615      181.2045 -334.3531      
260.4412 -184.9271      252.2776 20.21478 9.802691 22.04639 10.38793 -1.831602 
14.28292 
1 1 1 25  11  20 o 41.89465 9.726070  494.5601       197.3673 526.2250       
287.2328 466.2362       271.6571 42.97067 13.94471 40.81861 13.56211 2.152058 
19.45214 
1 1 1 25  11  21 o 33.80815 8.917822  257.9618       184.6746 50.94028       
256.7737 479.7917       265.7986 26.63722 11.75354 40.97909 13.41508 -14.34187 
17.83564 
1 1 1 25  11  22 o 27.26833 8.563723  34.71790       199.5794 190.9416       
291.9182 -102.3933      273.4791 30.74108 13.03133 23.79559 11.11458 6.945490 
17.12745 
1 1 1 25  11  23 o 24.67858 8.028793  -47.75744      194.8865 -157.0382      
283.6509 49.95567       268.2185 23.02657 10.91214 26.33059 11.78012 -3.304018 
16.05759 
1 1 1 25  11  24 o 34.00561 9.454558  334.1760       198.4619 430.0005       
293.8838 253.8395       269.0876 36.79026 13.90341 31.22096 12.81601 5.569300 
18.90912 
1 1 1 25  11  25 o 37.05949 9.680294  453.3944       199.1258 456.7123       
291.9893 450.5098       272.2577 36.96424 13.88537 37.15475 13.49181 
-0.1905098     19.36059 
1 1 1 25  11  26 o 42.68280 9.189831  586.0828       178.4463 555.1158       
238.3313 625.5915       269.2015 41.97372 12.55765 43.39189 13.42078 -1.418167 
18.37966 
1 1 1 25  11  27 o 25.68812 8.137770  52.12120       186.6022 319.1635       
283.7351 -151.4133      247.7091 30.92145 12.96440 20.45479 9.839595 10.46666 
16.27554 
1 1 1 25  11  28 o 29.80254 8.874337  316.8605       188.9235 434.4546       
285.8010 225.5980       251.7779 32.50647 13.25309 27.09861 11.80555 5.407866 
17.74867 
1 1 1 25  11  29 o 21.89523 7.292964  -21.77609      165.7919 223.0775       
271.3171 -167.6868      209.4439 26.03616 11.73995 17.75429 8.655800 8.281872 
14.58593 
1 1 1 25  12  0  o 24.68798 7.643206  -31.85505      160.2154 -235.1492      
255.1741 100.4400       205.8476 21.93676 10.37405 27.43921 11.22735 -5.502443 
15.28641 
1 1 1 25  12  1  o 29.39789 8.644820  101.2150       177.8193 21.08670       
270.0209 162.5744       236.2900 27.98167 12.20765 30.81411 12.24357 -2.832445 
17.28964 
1 1 1 25  12  2  o 64.54265 6.516911  924.5415       172.4756 1007.355       
279.5513 873.6434       219.1600 66.43485 10.02274 62.65044 8.332174 3.784416 
13.03382 
1 1 1 25  12  3  o 81.02537 6.417538  1403.969       201.9136 1660.806       
374.1857 1298.464       239.8262 85.14884 10.46718 76.90189 7.428151 8.246948 
12.83508 
1 1 1 25  12  4  o 29.73001 11.26919  165.8430       193.5562 0.000000       
0.000000 165.8430       193.5562 ?        ?        29.73001 11.26919 ? ? 
1 1 1 25  12  5  o 33.42677 13.23812  195.0145       275.4034 195.0145       
275.4034 0.000000       0.000000 33.42677 13.23812 ?        ?        ? ? 
1 1 1 25  12  6  o 23.59007 7.342573  -42.51487      145.9760 60.07788       
195.6414 -171.3649      219.2526 25.90969 10.80823 21.27044 9.941609 4.639252 
14.68515 
1 1 1 25  12  7  o 59.92989 6.348071  834.2416       149.8630 645.7636       
223.1035 989.2049       202.2974 52.53438 10.48661 67.32541 7.157022 -14.79103 
12.69614 
1 1 1 25  12  8  o 44.48336 7.426509  468.4395       136.0416 448.9021       
204.0322 484.0777       182.5405 43.39002 11.14335 45.57670 9.820279 -2.186684 
14.85302 
1 1 1 25  12  9  o 57.17898 6.604456  759.0627       150.5921 872.5751       
203.4113 621.3899       224.0153 63.02342 7.687660 51.33453 10.74129 11.68889 
13.20891 
1 1 1 25  12  10 o 42.98290 7.302688  438.7261       130.9786 509.7410       
182.9541 364.0613       187.5967 46.83372 9.634905 39.13208 10.97659 7.701633 
14.60538 
1 1 1 25  12  11 o 69.30402 5.471546  1055.716       158.8068 957.8666       
219.3655 1163.469       230.1994 65.85352 7.934330 72.75451 7.536423 -6.900986 
10.94309 
1 1 1 25  12  12 o 24.66917 7.764542  -35.70492      157.6249 -28.49039      
259.1538 -39.94098      198.5796 26.39275 11.70577 22.94559 10.20428 3.447163 
15.52908 
1 1 1 25  12  13 o 33.26436 8.522435  197.7721       142.2333 378.4377       
268.8815 127.5755       167.6028 39.54532 13.49265 26.98340 10.41518 12.56192 
17.04487 
1 1 1 25  12  14 o 64.48761 6.598205  749.4415       155.0787 1550.572       
319.8584 503.2529       177.3128 82.63856 9.219262 46.33667 9.441952 36.30189 
13.19641 
1 1 1 25  12  15 o 37.31828 8.687444  340.0256       157.7250 357.9980       
210.0564 316.7954       238.8143 38.19173 11.86379 36.44482 12.69399 1.746914 
17.37489 
1 1 1 25  12  16 o 25.87590 8.120201  -27.70504      179.5492 -132.6812      
259.1306 69.23403       249.0134 23.77608 10.99426 27.97572 11.95311 -4.199636 
16.24040 
1 1 1 25  12  17 o 31.51509 8.800942  167.0605       182.1656 324.5295       
255.8316 5.107325       259.4486 36.43763 13.09352 26.59256 11.76376 9.845068 
17.60188 
1 1 1 25  12  18 o 26.11042 8.179516  -4.623003      180.0341 -79.48400      
252.6360 72.62022       256.6242 24.24348 11.06502 27.97736 12.04920 -3.733881 
16.35903 
1 1 1 25  12  19 o 33.98143 8.965479  278.9116       171.3596 275.2556       
258.2282 281.7883       229.0629 34.01366 12.98021 33.94920 12.37067 
0.6445694E-01  17.93096 
1 1 1 25  12  20 o 41.09750 9.081643  455.3358       184.9158 638.6630       
261.6405 272.3725       261.3807 48.60619 12.68698 33.58880 12.99791 15.01738 
18.16329 
1 1 1 25  12  21 o 59.22939 8.637888  896.7744       210.9870 1270.517       
329.5587 637.1949       274.6514 70.91676 11.06891 47.54203 13.26392 23.37473 
17.27578 
1 1 1 25  12  22 o 42.98613 8.152554  508.5088       187.0552 877.9785       
255.2349 79.80599       274.9342 58.31483 10.83061 27.65743 12.18829 30.65740 
16.30511 
1 1 1 25  12  23 o 29.10612 8.603938  174.1051       176.2089 194.3313       
240.2301 150.5494       259.2492 29.55932 12.11749 28.65294 12.21792 0.9063816 
17.20788 
1 1 1 25  12  24 o 27.43975 8.356864  79.53513       192.4138 -205.2659      
296.5003 286.7340       252.8996 22.60185 10.84623 32.27765 12.71644 -9.675798 
16.71373 
1 1 1 25  12  25 o 26.50025 8.278443  93.98988       185.0514 -32.85226      
293.0027 178.1571       238.6775 24.79875 11.55259 28.20175 11.86036 -3.402996 
16.55689 
1 1 1 25  12  26 o 23.42063 7.585726  4.408457       160.3250 59.47430       
273.8263 -24.31538      197.7676 25.57640 11.63154 21.26486 9.740648 4.311544 
15.17145 
1 1 1 25  12  27 o 30.94094 8.503681  252.5724       189.6537 -93.96539      
284.3473 530.2708       254.5426 22.65834 10.81236 39.22353 13.12796 -16.56519 
17.00736 
1 1 1 25  12  28 o 35.90418 8.955096  474.4062       173.3611 563.4665       
237.7393 373.2713       253.3432 39.96088 12.65855 31.84749 12.67028 8.113388 
17.91019 
1 1 1 25  12  29 o 28.55238 8.652692  314.3082       185.3063 367.9078       
270.2550 266.7486       254.5729 29.80693 12.58201 27.29782 11.88147 2.509104 
17.30538 
1 1 1 25  13  0  f 29.86747 8.462547  147.9626       157.1875 169.8816       
256.6693 134.8084       198.8361 31.43139 12.65747 28.30354 11.23598 3.127855 
16.92509 
1 1 1 25  13  1  o 29.15188 8.317295  130.6643       158.2276 53.03898       
251.8760 181.2671       203.3632 27.93317 11.98104 30.37059 11.53968 -2.437422 
16.63459 
1 1 1 25  13  2  o 25.70118 7.832926  -20.69940      149.8791 154.8935       
254.2631 -114.2015      185.5413 31.14007 12.57406 20.26229 9.344091 10.87778 
15.66585 
1 1 1 25  13  3  o 50.34739 8.552368  633.8641       172.4656 562.4960       
299.1046 669.4105       211.0905 47.06028 14.06556 53.63449 9.733033 -6.574211 
17.10474 
1 1 1 25  13  4  o 70.71260 6.665494  1132.962       188.9762 1109.050       
314.5071 1146.473       236.4120 69.35466 10.80130 72.07054 7.813271 -2.715881 
13.33099 
1 1 1 25  13  5  o 47.88997 8.787478  544.8645       176.3871 674.5601       
278.7445 458.2477       227.7953 52.35143 12.77694 43.42852 12.06768 8.922913 
17.57496 
1 1 1 25  13  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  13  7  o 41.77007 8.903051  424.2355       179.4122 243.5323       
265.3413 576.4340       243.5158 34.75102 13.18800 48.78911 11.96386 -14.03809 
17.80610 
1 1 1 25  13  8  o 61.89083 6.019782  834.5549       148.0469 598.4709       
194.0089 1163.686       229.0726 50.94735 9.425035 72.83431 7.491316 -21.88696 
12.03956 
1 1 1 25  13  9  o 26.26887 7.239425  70.75636       125.5110 -71.47836      
175.1198 220.9934       179.9787 20.72902 9.384740 31.80873 11.02560 -11.07971 
14.47885 
1 1 1 25  13  10 o 33.91011 7.922973  262.2271       131.1984 241.5783       
183.6355 283.7564       187.5102 32.84890 11.15052 34.97133 11.25877 -2.122433 
15.84595 
1 1 1 25  13  11 o 39.67670 8.095996  361.0957       143.5853 502.7039       
223.1334 261.0158       187.5830 45.55299 11.62642 33.80041 11.26973 11.75259 
16.19199 
1 1 1 25  13  12 o 66.29416 5.984272  989.3256       163.7288 923.2201       
249.9557 1039.005       216.6866 63.92176 9.313982 68.66656 7.516366 -4.744797 
11.96854 
1 1 1 25  13  13 o 34.20621 8.147675  256.4859       151.8322 75.55005       
225.7138 406.0222       205.1960 27.55598 11.55868 40.85643 11.48631 -13.30046 
16.29535 
1 1 1 25  13  14 o 39.07984 8.653806  322.2856       176.2892 628.3621       
266.4990 84.14616       235.0695 50.04449 12.66649 28.11518 11.79464 21.92931 
17.30761 
1 1 1 25  13  15 o 43.22946 8.603727  445.3583       185.4944 144.9495       
258.2125 765.7164       266.6483 30.67804 12.56724 55.78088 11.75419 -25.10284 
17.20745 
1 1 1 25  13  16 o 48.89891 8.669474  588.2330       189.8727 310.7720       
255.7518 928.9629       283.4150 36.16167 13.08182 61.63616 11.38003 -25.47449 
17.33895 
1 1 1 25  13  17 o 31.89693 8.879053  192.0015       178.4413 294.9237       
254.7223 92.81985       250.0508 35.29768 13.02628 28.49618 12.06924 6.801508 
17.75811 
1 1 1 25  13  18 o 31.41734 8.858726  189.0089       178.5754 264.1199       
250.9857 112.0032       254.1314 33.84500 12.83152 28.98968 12.21721 4.855322 
17.71745 
1 1 1 25  13  19 o 33.55400 8.984312  258.5597       169.4505 225.9142       
214.4308 312.8459       276.5161 31.53761 11.88859 35.57040 13.47341 -4.032782 
17.96862 
1 1 1 25  13  20 o 33.57117 8.436407  275.8353       164.9894 413.6618       
211.8649 63.44960       262.9997 39.63166 11.83642 27.51068 12.02460 12.12098 
16.87281 
1 1 1 25  13  21 o 25.99088 8.123940  37.12658       173.9955 -23.33445      
274.3471 77.80994       225.0459 25.69023 11.67243 26.29154 11.30256 
-0.6013145     16.24788 
1 1 1 25  13  22 o 27.09889 8.343471  78.15296       181.2996 -36.67368      
287.3288 154.1125       233.6948 25.62966 11.74036 28.56812 11.85824 -2.938467 
16.68694 
1 1 1 25  13  23 f 54.96914 9.045586  829.8856       201.7498 1020.467       
323.1922 708.2040       258.2456 59.64002 13.25536 50.29827 12.31202 9.341751 
18.09117 
1 1 1 25  13  24 o 28.43931 8.649987  142.0541       185.1306 226.2808       
282.2675 78.47185       245.2469 30.76756 12.91676 26.11106 11.50853 4.656500 
17.29997 
1 1 1 25  13  25 o 29.27195 8.721664  197.7441       181.2475 245.5544       
277.7557 162.2886       239.1910 30.72622 12.85173 27.81769 11.79418 2.908531 
17.44333 
1 1 1 25  13  26 o 29.41806 8.684380  176.3074       185.4035 416.9030       
285.4694 0.7844672      243.8275 35.24808 13.59530 23.58804 10.80933 11.66005 
17.36876 
1 1 1 25  13  27 o 33.29747 9.212268  372.6950       185.8227 406.7452       
279.0259 345.5572       249.0990 34.09956 13.38111 32.49538 12.66528 1.604176 
18.42454 
1 1 1 25  13  28 o 23.42324 7.657835  -13.13897      181.7072 208.3216       
266.1259 -206.5520      248.7034 27.39665 12.03429 19.44983 9.473418 7.946817 
15.31567 
1 1 1 25  13  29 o 17.92382 6.195698  -267.1761      165.1900 -26.54029      
212.5259 -634.4349      262.5535 20.32822 9.565505 15.51943 7.877043 4.808783 
12.39140 
1 1 1 25  13  30 o 20.31611 9.851278  -99.26144      262.9649 -99.26144      
262.9649 0.000000       0.000000 20.31611 9.851278 ?        ?        ? ? 
1 1 1 25  14  0  o 34.16432 8.826347  162.1893       163.9951 520.7117       
300.8372 10.60236       195.6160 44.42486 14.25666 23.90378 10.40987 20.52108 
17.65269 
1 1 1 25  14  1  o 27.63159 8.365291  -3.748331      164.7071 225.5294       
293.6363 -109.0037      198.9532 34.16177 13.62508 21.10141 9.709245 13.06036 
16.73058 
1 1 1 25  14  2  o 18.77787 6.488059  -319.3349      150.2032 -324.3966      
269.9932 -317.0662      180.7571 21.35838 10.27386 16.19737 7.926369 5.161011 
12.97612 
1 1 1 25  14  3  o 35.23237 8.750819  255.7499       153.7394 398.3664       
268.0222 185.8153       187.6860 40.28041 13.47108 30.18432 11.17307 10.09609 
17.50164 
1 1 1 25  14  4  o 24.69574 7.729358  -50.12818      150.6025 81.52402       
260.2194 -116.4354      184.6742 29.21425 12.33971 20.17723 9.311474 9.037016 
15.45872 
1 1 1 25  14  5  o 54.91219 8.237073  697.7181       179.1105 863.1284       
297.8442 604.0153       224.1736 59.52110 12.33409 50.30328 10.92098 9.217815 
16.47415 
1 1 1 25  14  6  o 44.38441 9.199148  472.1230       181.7205 602.7354       
282.4476 379.8722       237.3727 49.09030 13.35291 39.67853 12.65690 9.411766 
18.39830 
1 1 1 25  14  7  o 27.88338 11.50377  91.31969       217.8900 0.000000       
0.000000 91.31969       217.8900 ?        ?        27.88338 11.50377 ? ? 
1 1 1 25  14  8  o 73.41180 9.069004  1208.863       279.5145 1208.863       
279.5145 0.000000       0.000000 73.41180 9.069004 ?        ?        ? ? 
1 1 1 25  14  9  o 65.91924 7.759313  808.7326       187.0063 589.6443       
212.4855 1561.461       393.8571 49.98421 10.46306 81.85425 11.46090 -31.87003 
15.51863 
1 1 1 25  14  10 o 33.96665 8.098269  263.4069       138.2932 210.4995       
206.4344 306.4825       186.2688 31.88822 11.73159 36.04509 11.16681 -4.156870 
16.19654 
1 1 1 25  14  11 o 45.08676 7.798635  479.9448       144.9193 548.6218       
226.6552 432.4545       188.4788 47.61082 11.46028 42.56270 10.58001 5.048119 
15.59727 
1 1 1 25  14  12 o 20.96847 6.815637  -130.2944      137.5055 -24.29495      
207.4445 -213.3689      183.6472 23.82118 10.53077 18.11576 8.655317 5.705418 
13.63127 
1 1 1 25  14  13 o 38.05921 8.380936  285.1948       159.2371 598.1278       
259.1771 95.43921       201.8219 48.97670 12.54817 27.14172 11.11322 21.83498 
16.76187 
1 1 1 25  14  14 o 43.94709 9.032936  481.3505       176.6047 558.2836       
262.2845 417.5411       238.8682 46.96204 12.90912 40.93214 12.63845 6.029903 
18.06587 
1 1 1 25  14  15 o 56.77038 8.260556  791.8700       194.9781 1114.118       
282.4271 498.4296       269.5078 69.52473 9.675826 44.01603 13.39125 25.50871 
16.52111 
1 1 1 25  14  16 o 30.32624 8.737403  145.4076       176.8460 79.71656       
249.6384 211.5847       250.5603 28.25633 12.01721 32.39616 12.68682 -4.139837 
17.47481 
1 1 1 25  14  17 o 84.41622 6.547794  1650.370       231.8036 1684.145       
323.0142 1614.506       332.8466 85.52824 8.995661 83.30420 9.516959 2.224045 
13.09559 
1 1 1 25  14  18 o 34.43426 8.694237  167.9319       187.8477 -141.2436      
249.3728 573.4999       285.6133 22.85997 10.65266 46.00855 13.74336 -23.14858 
17.38847 
1 1 1 25  14  19 o 31.04635 8.733983  165.4403       170.0179 62.10176       
217.0701 329.4470       273.4637 25.96188 11.12856 36.13083 13.46421 -10.16895 
17.46797 
1 1 1 25  14  20 o 40.26345 9.391480  441.4641       193.6023 278.0727       
277.4475 596.5259       270.2831 34.02370 13.34487 46.50320 13.21794 -12.47950 
18.78296 
1 1 1 25  14  21 o 39.96612 9.636653  451.9200       194.3756 503.9284       
281.8979 404.7809       268.3773 41.83165 13.81538 38.10058 13.43859 3.731068 
19.27331 
1 1 1 25  14  22 o 35.06561 8.839147  311.1309       187.1248 45.54105       
279.2454 527.5953       252.1004 27.05864 12.06507 43.07258 12.92115 -16.01394 
17.67829 
1 1 1 25  14  23 o 31.30279 8.758835  150.1914       184.0419 489.0751       
291.7047 -73.90918      237.2135 39.89897 14.01676 22.70661 10.50711 17.19236 
17.51767 
1 1 1 25  14  24 o 27.92125 8.001433  101.3524       161.9862 -114.6393      
220.9325 352.4430       238.2079 20.95521 9.834015 34.88729 12.62473 -13.93208 
16.00287 
1 1 1 25  14  25 o 23.98064 7.829301  -28.31930      183.3542 -7.950091      
277.9086 -44.02024      243.9932 24.90421 11.46582 23.05708 10.66428 1.847128 
15.65860 
1 1 1 25  14  26 o 47.61449 9.456319  721.4300       195.6286 745.8236       
299.0081 703.1735       258.6752 47.27744 14.04967 47.95155 12.66075 
-0.6741180     18.91264 
1 1 1 25  14  27 o 28.93769 8.615683  182.8310       185.6154 415.4781       
280.4956 1.588266       247.5754 34.51546 13.44241 23.35991 10.78062 11.15556 
17.23137 
1 1 1 25  14  28 o 30.01362 8.739618  257.8281       191.2721 36.84307       
264.5444 499.8952       276.8759 23.85744 11.06116 36.16979 13.53419 -12.31235 
17.47924 
1 1 1 25  14  29 o 27.30620 8.429157  202.3838       199.9551 461.8175       
277.8708 -76.22627      287.9573 32.90994 13.20422 21.70246 10.48100 11.20748 
16.85831 
1 1 1 25  14  30 o 18.76668 9.074601  -115.5512      218.4890 -115.5512      
218.4890 0.000000       0.000000 18.76668 9.074601 ?        ?        ? ? 
1 1 1 25  15  0  o 38.30211 9.057384  372.4109       185.4811 161.1465       
293.0648 513.5853       239.5678 31.83617 13.25107 44.76805 12.35127 -12.93187 
18.11477 
1 1 1 25  15  1  o 29.50013 8.712873  117.7583       177.6366 56.76689       
293.8198 152.8940       223.0083 29.35592 12.77069 29.64433 11.85606 
-0.2884140     17.42575 
1 1 1 25  15  2  o 28.62859 8.574875  72.84189       169.4526 157.5984       
292.2393 29.91141       207.9865 32.09284 13.28722 25.16434 10.84268 6.928501 
17.14975 
1 1 1 25  15  3  o 67.49586 7.916097  1110.401       211.9884 844.6507       
308.8593 1347.099       291.4880 57.91375 13.02001 77.07796 9.007650 -19.16422 
15.83219 
1 1 1 25  15  4  o 42.89742 8.654633  467.8601       161.6993 382.0922       
283.8719 509.0555       196.7365 39.63065 13.83632 46.16419 10.40033 -6.533539 
17.30927 
1 1 1 25  15  5  o 20.49412 6.926687  -267.7082      167.8766 -396.4064      
271.5946 -188.1348      213.5596 20.53501 9.974360 20.45324 9.613955 
0.8176994E-01  13.85337 
1 1 1 25  15  6  o 50.90759 8.273616  631.8824       173.3381 598.8554       
250.7502 662.1092       239.8849 49.34357 12.16527 52.47161 11.21682 -3.128033 
16.54723 
1 1 1 25  15  7  o 54.99724 8.065017  705.5659       183.5659 516.6376       
244.9436 947.6188       277.2509 45.73825 12.43202 64.25623 10.27729 -18.51797 
16.13003 
1 1 1 25  15  8  o 30.83658 8.728687  155.3317       171.1564 176.4267       
228.0187 128.1060       259.0416 31.10538 12.11876 30.56778 12.56565 0.5376034 
17.45737 
1 1 1 25  15  9  o 80.64281 11.12030  1513.833       376.4966 0.000000       
0.000000 1513.833       376.4966 ?        ?        80.64281 11.12030 ? ? 
1 1 1 25  15  10 o 28.53291 8.539216  69.71159       174.9931 44.58118       
230.9061 103.6203       268.2199 26.91831 11.50611 30.14750 12.62071 -3.229185 
17.07843 
1 1 1 25  15  11 o 59.44565 6.629444  814.2480       159.5276 678.5862       
225.4932 950.1819       225.7191 53.59430 10.39249 65.29700 8.233722 -11.70271 
13.25889 
1 1 1 25  15  12 o 38.55406 7.840982  363.4925       140.4234 226.1139       
209.5711 475.4259       189.1698 32.44340 11.83159 44.66471 10.29259 -12.22131 
15.68196 
1 1 1 25  15  13 o 40.05861 7.936469  373.9025       142.3704 538.8867       
217.3429 249.9020       188.4239 47.08500 11.15231 33.03222 11.29496 14.05278 
15.87294 
1 1 1 25  15  14 o 27.41675 8.027306  15.90310       159.1364 252.0540       
248.2182 -148.9007      207.3587 34.07954 12.80226 20.75396 9.687765 13.32558 
16.05461 
1 1 1 25  15  15 o 61.29188 7.655756  926.0040       186.2178 713.5942       
279.3765 1095.823       249.8018 53.01073 12.70051 69.57304 8.552157 -16.56231 
15.31151 
1 1 1 25  15  16 o 24.51743 7.865938  -72.29613      176.6796 -115.4308      
250.1695 -29.37240      249.5571 23.60876 10.87317 25.42610 11.36952 -1.817348 
15.73188 
1 1 1 25  15  17 o 33.42200 8.589405  194.4760       178.3373 470.5307       
256.5627 -63.59697      248.0660 42.37707 13.10095 24.46694 11.11201 17.91013 
17.17881 
1 1 1 25  15  18 o 89.73641 6.826619  1841.589       247.7486 1700.526       
307.2255 2103.899       418.9460 86.05028 8.504056 93.42255 10.68138 -7.372269 
13.65324 
1 1 1 25  15  19 o 76.80618 6.688655  1396.684       214.6689 1434.535       
293.2908 1353.009       315.0513 78.41350 8.908993 75.19888 9.979093 3.214622 
13.37731 
1 1 1 25  15  20 o 55.25468 9.253035  825.5088       211.3352 902.4536       
309.6081 758.3817       289.1826 57.77762 13.06801 52.73175 13.10350 5.045868 
18.50607 
1 1 1 25  15  21 o 43.03039 9.166553  516.8155       175.4376 508.6429       
301.8438 520.9848       215.5925 41.64091 14.29342 44.41987 11.48046 -2.778965 
18.33311 
1 1 1 25  15  22 o 31.64115 8.303864  245.0501       164.9880 -14.59319      
284.6555 376.4024       202.4649 25.97972 11.82680 37.30258 11.65947 -11.32285 
16.60773 
1 1 1 25  15  23 o 27.86388 8.228954  146.4971       156.5188 139.8982       
263.5930 150.0909       194.5251 28.56842 12.25514 27.15935 10.98519 1.409079 
16.45791 
1 1 1 25  15  24 o 29.28666 8.696103  176.8488       180.3519 257.7277       
272.6129 113.8991       240.5058 31.63556 12.92842 26.93777 11.63377 4.697790 
17.39221 
1 1 1 25  15  25 f 36.74802 9.608092  414.9356       197.5768 563.7656       
300.5805 301.7104       262.1725 41.04702 14.24659 32.44902 12.89560 8.598003 
19.21618 
1 1 1 25  15  26 o 25.39969 7.919455  93.39425       160.9643 57.94441       
273.9248 112.0911       198.9336 25.71660 11.67883 25.08279 10.69934 0.6338120 
15.83891 
1 1 1 25  15  27 o 23.44038 7.715771  -33.35059      187.4526 79.92348       
259.6583 -156.6403      270.8946 25.35577 11.45623 21.52499 10.33863 3.830778 
15.43154 
1 1 1 25  15  28 o 24.89242 8.031133  23.74928       196.1696 -218.1581      
274.8132 275.0793       280.1142 20.37155 9.928781 29.41329 12.62599 -9.041737 
16.06227 
1 1 1 25  15  29 o 25.06269 7.771528  107.8052       177.1359 -196.7564      
268.5065 342.4957       235.7029 19.76200 9.668387 30.36338 12.17000 -10.60138 
15.54306 
1 1 1 25  15  30 o 24.94917 11.52087  170.5522       283.2863 170.5522       
283.2863 0.000000       0.000000 24.94917 11.52087 ?        ?        ? ? 
1 1 1 25  16  0  o 35.19476 8.788697  300.8424       165.1890 217.6391       
238.5143 377.5409       229.0011 31.98366 12.40817 38.40585 12.44999 -6.422184 
17.57739 
1 1 1 25  16  1  o 40.75150 7.689550  377.0654       173.1391 -51.08452      
248.9392 778.2304       240.9667 24.82649 11.21717 56.67650 10.52102 -31.85001 
15.37910 
1 1 1 25  16  2  f 48.41373 8.358629  589.9290       166.3750 571.2400       
263.4221 602.3316       214.5937 47.02859 12.94135 49.79887 10.58245 -2.770275 
16.71726 
1 1 1 25  16  3  o 32.33651 8.818548  199.7136       166.3377 291.6055       
266.8938 141.3517       212.6987 35.71421 13.30298 28.95882 11.58007 6.755386 
17.63710 
1 1 1 25  16  4  o 80.75857 6.506354  1419.686       210.2989 1719.281       
368.3952 1274.863       256.1330 86.05820 10.19630 75.45894 8.084923 10.59926 
13.01271 
1 1 1 25  16  5  o 55.82664 7.173901  710.7197       162.9945 877.9570       
254.3532 594.1916       212.3176 61.81821 9.800358 49.83508 10.47914 11.98313 
14.34780 
1 1 1 25  16  6  o 55.54916 7.831472  738.8741       175.5856 710.9142       
237.1323 772.8096       261.2466 54.57023 10.73278 56.52808 11.40768 -1.957851 
15.66294 
1 1 1 25  16  7  o 29.68469 8.184055  138.0420       154.2659 15.48784       
219.6016 257.4408       216.7561 25.47856 11.06155 33.89083 12.06470 -8.412275 
16.36811 
1 1 1 25  16  8  o 31.11076 8.601048  164.3803       170.2648 270.4183       
227.5228 29.41439       256.6883 34.64064 12.35779 27.58087 11.96650 7.059772 
17.20210 
1 1 1 25  16  9  o 33.45987 8.770638  176.8602       172.5820 8.829440       
223.1830 426.7701       272.1815 25.48671 11.10902 41.43303 13.57520 -15.94632 
17.54128 
1 1 1 25  16  10 o 39.64997 8.950788  358.7712       176.5552 193.4715       
236.6056 566.4528       265.2088 31.84145 12.35730 47.45848 12.95236 -15.61703 
17.90158 
1 1 1 25  16  11 o 50.92856 11.71061  634.6526       245.3145 634.6526       
245.3145 0.000000       0.000000 50.92856 11.71061 ?        ?        ? ? 
1 1 1 25  16  12 o 53.76033 7.560176  674.3943       167.1844 829.0139       
251.4917 551.9573       223.7937 59.98505 9.986232 47.53561 11.35342 12.44944 
15.12035 
1 1 1 25  16  13 o 47.11523 7.800311  540.7026       151.8557 499.0473       
214.2861 582.7256       215.2298 45.09525 11.32474 49.13521 10.72985 -4.039959 
15.60062 
1 1 1 25  16  14 o 45.53335 8.985414  527.0370       178.7523 576.1971       
254.0476 478.8357       251.5588 47.69779 12.52552 43.36890 12.88650 4.328888 
17.97083 
1 1 1 25  16  15 o 36.59152 9.268329  322.7482       180.8706 332.2469       
247.6740 311.8938       264.7592 36.89575 12.92001 36.28729 13.29214 0.6084557 
18.53666 
1 1 1 25  16  16 o 32.53244 8.804870  208.3601       174.8194 81.57423       
244.6348 340.6766       249.9137 28.00280 11.90239 37.06209 12.97829 -9.059296 
17.60974 
1 1 1 25  16  17 o 34.54174 9.019330  256.1271       180.4978 110.0589       
245.8780 426.8378       265.8105 28.73488 12.05906 40.34861 13.41538 -11.61373 
18.03866 
1 1 1 25  16  18 o 39.36251 9.294725  399.7308       184.8783 281.4805       
256.3384 527.9218       266.8957 34.42204 12.99185 44.30299 13.29584 -9.880947 
18.58945 
1 1 1 25  16  19 o 49.05083 8.817738  639.5684       180.2657 622.7911       
283.6469 650.9361       233.4813 47.54121 13.54967 50.56046 11.28790 -3.019257 
17.63548 
1 1 1 25  16  20 o 31.93823 8.753276  235.4899       168.8854 275.9030       
225.3039 183.6601       255.1512 33.32283 12.25637 30.55364 12.50043 2.769190 
17.50655 
1 1 1 25  16  21 o 27.99227 8.536353  75.96851       179.4299 217.8858       
288.0165 -14.04686      229.3813 31.93271 13.20407 24.05184 10.82265 7.880871 
17.07271 
1 1 1 25  16  22 o 32.33824 8.961168  260.4703       178.0863 214.4664       
269.6296 296.0683       237.1830 31.13825 12.81334 33.53823 12.53110 -2.399977 
17.92234 
1 1 1 25  16  23 o 43.95014 8.603789  545.3709       170.0373 701.1876       
242.1963 393.9214       238.7782 50.85648 11.59647 37.04381 12.71309 13.81266 
17.20758 
1 1 1 25  16  24 o 39.44857 9.171002  429.3710       185.9115 722.7325       
290.0639 224.8388       242.1993 48.63512 13.65125 30.26201 12.25041 18.37312 
18.34200 
1 1 1 25  16  25 o 32.15928 8.448513  295.1003       164.2277 116.3416       
275.4950 393.6407       204.5442 27.48067 12.14378 36.83788 11.74896 -9.357201 
16.89703 
1 1 1 25  16  26 o 25.49224 8.126912  40.31638       188.9074 175.6817       
267.5617 -94.22980      266.7509 28.30286 12.24761 22.68162 10.68563 5.621248 
16.25382 
1 1 1 25  16  27 o 26.92331 8.322051  147.6457       177.4637 200.2493       
266.5463 105.7615       237.8424 28.36064 12.24783 25.48599 11.27017 2.874647 
16.64410 
1 1 1 25  16  28 o 25.72604 8.111967  128.1188       174.2876 97.03050       
222.0813 177.9682       281.2184 24.28931 10.79685 27.16277 12.10967 -2.873459 
16.22393 
1 1 1 25  16  29 f 24.62037 8.063155  94.72108       197.7824 -17.18657      
269.9267 224.4560       290.6327 22.28988 10.60170 26.95086 12.15162 -4.660975 
16.12631 
1 1 1 25  16  30 o 36.32756 6.657464  491.1061       126.9244 151.2463       
264.1776 593.1008       144.7222 24.47136 11.22969 48.18375 7.154108 -23.71238 
13.31493 
1 1 1 25  17  0  o 31.33852 8.401899  215.7516       149.2312 243.5832       
240.1322 198.2396       190.4794 32.69093 12.50499 29.98612 11.22465 2.704811 
16.80380 
1 1 1 25  17  1  o 27.60107 8.049438  87.86241       160.1669 -68.38074      
239.0444 215.1513       215.7612 23.83681 10.84771 31.36534 11.89542 -7.528526 
16.09888 
1 1 1 25  17  2  o 43.30983 8.332970  463.9677       151.2928 531.3055       
250.6967 425.3952       189.7396 45.20408 12.69206 41.41558 10.80117 3.788502 
16.66594 
1 1 1 25  17  3  o 24.53190 7.517956  22.23689       143.7368 -117.4398      
251.1433 90.27682       175.2837 23.59695 10.87782 25.46685 10.38035 -1.869902 
15.03591 
1 1 1 25  17  4  o 27.10263 7.763487  97.57272       139.1272 180.9183       
207.2048 29.14856       187.7428 30.16909 11.59405 24.03618 10.32787 6.132908 
15.52697 
1 1 1 25  17  5  o 65.55310 6.356598  979.3597       173.9222 853.5163       
242.4391 1112.796       249.6454 60.92412 9.478390 70.18209 8.472631 -9.257973 
12.71320 
1 1 1 25  17  6  o 24.51805 7.564610  -18.52416      151.9229 98.44325       
212.8478 -140.0019      216.9127 27.55184 11.36893 21.48427 9.982027 6.067568 
15.12922 
1 1 1 25  17  7  o 49.15083 8.606030  602.5161       176.8301 603.1030       
246.9895 601.8989       253.2800 49.25726 12.03050 49.04440 12.30943 0.2128525 
17.21206 
1 1 1 25  17  8  o 59.44560 8.189020  873.1796       196.5671 997.9421       
262.1733 713.0049       297.0595 66.07682 9.450622 52.81438 13.37632 13.26244 
16.37804 
1 1 1 25  17  9  o 52.01189 8.586884  663.0889       183.6427 582.3633       
245.3580 765.9161       276.9164 48.39983 12.09592 55.62396 12.19127 -7.224136 
17.17377 
1 1 1 25  17  10 o 44.70024 8.681950  499.5857       168.0094 485.5760       
240.2110 513.0026       235.0745 44.01511 12.44502 45.38537 12.10894 -1.370262 
17.36390 
1 1 1 25  17  11 o 40.50313 8.093203  380.3365       148.9222 579.5254       
229.3383 235.1087       195.8253 48.62117 11.41741 32.38509 11.47356 16.23608 
16.18641 
1 1 1 25  17  12 o 44.13285 11.66842  482.8202       219.5266 0.000000       
0.000000 482.8202       219.5266 ?        ?        44.13285 11.66842 ? ? 
1 1 1 25  17  13 o 53.84994 11.75096  717.5306       258.3156 717.5306       
258.3156 0.000000       0.000000 53.84994 11.75096 ?        ?        ? ? 
1 1 1 25  17  14 f 26.19388 7.977686  42.33186       158.7658 55.90225       
214.6122 25.92740       235.9604 26.14132 11.13074 26.24644 11.43156 
-0.1051216     15.95537 
1 1 1 25  17  15 o 39.81355 9.299354  403.5607       182.8024 478.3732       
259.3541 329.7013       257.6970 42.87899 13.15502 36.74811 13.14752 6.130875 
18.59871 
1 1 1 25  17  16 o 31.81637 8.713074  185.3263       175.1303 33.88293       
246.1588 340.5506       249.2126 26.70073 11.65223 36.93201 12.95748 -10.23128 
17.42615 
1 1 1 25  17  17 o 44.26437 8.886834  506.1046       170.1224 476.9840       
218.9138 550.5054       270.3139 43.15905 11.76269 45.36970 13.32450 -2.210655 
17.77367 
1 1 1 25  17  18 o 28.53662 8.594337  65.79042       186.5716 227.2356       
273.4575 -74.80834      255.1926 32.75039 13.11609 24.32284 11.10940 8.427549 
17.18867 
1 1 1 25  17  19 o 31.82385 9.168321  205.4967       193.6224 160.9143       
285.3330 243.5471       263.6030 30.81916 12.96480 32.82855 12.96712 -2.009390 
18.33664 
1 1 1 25  17  20 o 29.61007 8.742751  152.0906       180.0107 179.0372       
272.4803 131.2222       239.7889 30.74194 12.78527 28.47820 11.92811 2.263737 
17.48550 
1 1 1 25  17  21 o 21.00707 7.038246  -227.8233      174.1905 -501.2099      
270.0787 -33.10152      227.9340 18.50861 9.182548 23.50554 10.66904 -4.996937 
14.07649 
1 1 1 25  17  22 o 41.12862 8.805636  461.2041       159.3246 531.0323       
271.4119 424.4904       196.8011 42.49249 13.53193 39.76476 11.27137 2.727730 
17.61127 
1 1 1 25  17  23 o 27.88894 7.606154  47.16241       164.1876 397.0462       
221.1582 -382.4760      245.0714 37.42973 12.23681 18.34816 9.037407 19.08157 
15.21231 
1 1 1 25  17  24 o 33.81117 9.128512  310.7551       181.2595 447.0388       
278.6217 210.7529       238.6699 37.90235 13.65986 29.72000 12.11309 8.182350 
18.25702 
1 1 1 25  17  25 o 28.21853 8.464499  120.6942       189.0761 335.4409       
263.9866 -105.5091      270.9369 33.50806 13.04272 22.92900 10.79252 10.57907 
16.92900 
1 1 1 25  17  26 o 30.13550 8.545671  195.9120       173.4979 449.8296       
268.2400 13.28119       227.4910 36.91034 13.39299 23.36067 10.61799 13.54967 
17.09134 
1 1 1 25  17  27 o 32.48104 9.323013  346.8861       198.9339 375.5689       
276.5773 316.1412       286.3469 33.40311 13.25445 31.55898 13.11465 1.844133 
18.64603 
1 1 1 25  17  28 o 22.42687 7.559299  -75.78648      195.9840 -92.38772      
271.9108 -57.83754      282.7323 22.01447 10.52133 22.83928 10.85696 
-0.8248158     15.11860 
1 1 1 25  17  29 o 29.93699 9.166356  349.6461       214.3615 467.0251       
309.6894 241.6792       297.0135 32.53168 13.58628 27.34230 12.30859 5.189373 
18.33271 
1 1 1 25  17  30 o 24.52031 7.923094  67.78343       139.3349 474.6063       
323.0877 -25.16708      154.4343 31.02396 13.44231 18.01666 8.390823 13.00731 
15.84619 
1 1 1 25  18  0  o 76.54379 6.437442  1329.833       202.9881 1705.436       
325.6759 1091.222       259.5768 85.03642 9.122246 68.05115 9.085554 16.98528 
12.87488 
1 1 1 25  18  1  o 37.71524 9.112792  375.9957       174.6489 313.1822       
279.3018 416.3253       223.7997 35.58371 13.52273 39.84676 12.21915 -4.263050 
18.22558 
1 1 1 25  18  2  o 36.87817 8.909610  310.7947       162.7830 501.2715       
273.3024 206.0697       202.6505 43.08934 13.56211 30.66701 11.55828 12.42233 
17.81922 
1 1 1 25  18  3  o 39.82230 8.043848  350.3188       144.4180 626.6846       
242.3063 198.0556       179.8539 49.68866 11.77944 29.95595 10.95713 19.73271 
16.08770 
1 1 1 25  18  4  o 48.41642 7.807933  583.4244       151.6324 564.4184       
248.1866 594.7442       191.5371 46.82223 12.41924 50.01061 9.466660 -3.188381 
15.61587 
1 1 1 25  18  5  o 38.31435 8.085525  359.5355       142.6476 461.9089       
207.8713 268.4186       196.1102 43.01590 11.34589 33.61280 11.52274 9.403099 
16.17105 
1 1 1 25  18  6  o 40.72654 8.377211  381.6701       162.8056 185.5862       
214.0815 650.6103       250.7183 30.51008 11.77218 50.94299 11.92168 -20.43290 
16.75442 
1 1 1 25  18  7  o 38.53102 8.390035  367.0847       151.7746 285.9583       
215.3494 447.1531       213.9408 34.73196 12.05837 42.33008 11.66904 -7.598118 
16.78007 
1 1 1 25  18  8  o 40.48436 9.563629  415.5097       188.9916 421.1683       
241.7820 406.6218       303.0153 40.80571 12.73876 40.16301 14.26801 0.6427040 
19.12726 
1 1 1 25  18  9  o 60.33717 8.134177  891.4543       198.9435 949.4446       
264.9622 816.5135       301.2070 64.01182 9.859274 56.66253 12.94041 7.349293 
16.26835 
1 1 1 25  18  10 o 65.47048 5.821628  968.5425       159.1115 866.1387       
226.5791 1068.171       223.4879 61.76318 8.737986 69.17779 7.694998 -7.414608 
11.64326 
1 1 1 25  18  11 o 28.59754 8.384721  98.26143       164.2012 178.6152       
251.6207 38.66184       216.7030 31.42775 12.58354 25.76733 11.08462 5.660418 
16.76944 
1 1 1 25  18  12 o 25.18508 7.540360  39.97821       142.7165 -77.69153      
217.6897 128.6766       189.0006 22.79216 10.36683 27.57800 10.95248 -4.785837 
15.08072 
1 1 1 25  18  13 o 35.69740 9.166640  296.8641       176.6763 351.3413       
268.1024 255.0466       234.8941 37.74318 13.41963 33.65162 12.49090 4.091557 
18.33328 
1 1 1 25  18  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  18  15 o 36.22091 8.000213  291.5896       156.8234 545.4105       
223.0969 43.66703       220.4895 46.57234 11.47047 25.86948 11.15536 20.70286 
16.00043 
1 1 1 25  18  16 o 74.19894 7.033180  1294.945       218.0253 1244.137       
292.2744 1358.689       327.3702 72.88716 9.551265 75.51072 10.32646 -2.623558 
14.06636 
1 1 1 25  18  17 o 33.25392 8.802838  212.6809       186.7880 -44.96011      
271.7227 443.5034       257.1921 25.70233 11.66040 40.80550 13.19071 -15.10317 
17.60568 
1 1 1 25  18  18 f 45.52589 9.359133  559.9710       189.8188 645.9543       
280.0915 486.9377       258.1390 48.68800 13.32099 42.36378 13.15008 6.324223 
18.71827 
1 1 1 25  18  19 o 52.15126 9.467897  738.8209       208.0150 870.4858       
314.7339 636.6977       277.1857 56.28869 13.47671 48.01382 13.30198 8.274872 
18.93579 
1 1 1 25  18  20 o 25.78315 7.946492  52.69976       151.4210 93.64069       
269.8187 33.87813       182.9456 28.26391 12.26588 23.30239 10.10619 4.961525 
15.89298 
1 1 1 25  18  21 f 35.28977 8.595057  323.4474       156.8602 228.4972       
211.9368 438.4655       233.2607 30.85688 11.76405 39.72265 12.53424 -8.865768 
17.19011 
1 1 1 25  18  22 o 24.06531 7.748407  -52.04766      172.5267 80.33469       
261.8514 -153.6032      229.3462 27.18669 11.93969 20.94393 9.879027 6.242754 
15.49681 
1 1 1 25  18  23 o 31.28256 8.487674  134.4181       179.8084 524.3839       
277.7169 -147.0384      235.9362 41.36300 13.71254 21.20213 10.00643 20.16086 
16.97535 
1 1 1 25  18  24 o 25.32842 8.080198  5.772809       188.3655 -153.7148      
275.5724 145.6411       258.0667 22.55647 10.72067 28.10037 12.09238 -5.543898 
16.16040 
1 1 1 25  18  25 o 31.60641 9.027377  258.9974       189.7321 127.0522       
258.8165 412.2776       278.9576 27.27406 11.92482 35.93875 13.55628 -8.664690 
18.05475 
1 1 1 25  18  26 o 23.91805 7.855591  -38.58032      190.3763 -146.3528      
263.2385 79.59986       275.6562 21.68816 10.36222 26.14794 11.80956 -4.459778 
15.71118 
1 1 1 25  18  27 o 28.12326 8.376835  204.2197       171.5937 259.5917       
217.5946 113.1516       279.0529 29.81340 11.77966 26.43311 11.91323 3.380285 
16.75367 
1 1 1 25  18  28 o 27.25778 8.608444  178.1629       202.5802 110.3853       
284.3752 247.9966       288.6563 25.75256 11.74952 28.76299 12.58451 -3.010435 
17.21689 
1 1 1 25  18  29 o 27.39076 7.456621  246.6999       138.1197 -71.18554      
317.1634 321.0945       153.4328 22.55697 10.91188 32.22455 10.16541 -9.667578 
14.91324 
1 1 1 25  18  30 o 29.04291 8.348770  285.7912       139.0149 438.9902       
322.1363 250.7324       154.1026 30.23476 13.26085 27.85106 10.14680 2.383696 
16.69754 
1 1 1 25  19  0  o 24.19728 7.734784  -24.05747      165.7964 -46.42123      
265.7827 -9.811441      212.1297 24.94426 11.37487 23.45029 10.48427 1.493975 
15.46957 
1 1 1 25  19  1  o 37.91769 8.578595  355.3827       150.6292 500.8707       
251.6064 274.1106       188.0524 42.76500 12.92457 33.07038 11.28382 9.694611 
17.15719 
1 1 1 25  19  2  o 45.93483 8.144400  541.3586       156.2525 584.8465       
234.3252 506.5398       209.6730 47.41346 11.80352 44.45619 11.22506 2.957275 
16.28880 
1 1 1 25  19  3  o 64.20459 6.299135  962.0627       168.9435 916.5502       
246.9409 1002.109       231.6371 62.39637 9.426596 66.01282 8.357973 -3.616447 
12.59827 
1 1 1 25  19  4  o 53.14706 6.890288  674.2958       146.9855 727.6883       
224.1166 633.9958       194.7095 54.75601 10.13033 51.53812 9.342416 3.217892 
13.78058 
1 1 1 25  19  5  o 38.29880 7.912558  361.9496       144.1063 204.6901       
202.9240 521.9446       204.6814 30.73626 11.56968 45.86134 10.79708 -15.12508 
15.82512 
1 1 1 25  19  6  o 34.27586 8.625964  259.4544       158.2540 400.9492       
244.0877 156.8427       207.8615 39.47843 12.85552 29.07330 11.50498 10.40513 
17.25193 
1 1 1 25  19  7  o 35.82151 9.111901  310.4767       175.2424 318.6664       
245.8393 302.0163       249.8702 36.12442 12.84975 35.51859 12.92250 0.6058350 
18.22380 
1 1 1 25  19  8  o 39.83218 8.918763  405.9057       167.2112 426.9671       
221.5481 378.0289       254.8856 41.03458 12.06656 38.62977 13.13680 2.404816 
17.83753 
1 1 1 25  19  9  o 54.85075 8.766108  684.8106       188.7419 511.6242       
227.4866 1067.377       338.1053 44.99572 11.86962 64.70577 12.90313 -19.71005 
17.53222 
1 1 1 25  19  10 o 20.48960 6.697131  -130.4331      139.2639 -253.9522      
208.8581 -31.55362      186.8690 18.82125 9.049224 22.15795 9.875110 -3.336702 
13.39426 
1 1 1 25  19  11 o 30.18761 7.898024  182.4588       141.2164 49.48520       
209.6197 292.9568       191.0850 25.63645 10.96071 34.73877 11.37444 -9.102316 
15.79605 
1 1 1 25  19  12 o 45.68674 8.606051  551.7300       172.8260 395.6476       
269.0444 661.3826       225.5052 39.31173 13.49445 52.06177 10.68440 -12.75004 
17.21210 
1 1 1 25  19  13 o 27.77070 8.598501  33.70699       183.0307 94.36861       
308.4775 0.7482146      227.3799 30.49125 13.17210 25.05015 11.05589 5.441099 
17.19700 
1 1 1 25  19  14 o 29.44953 8.701209  125.4992       178.5205 80.54261       
285.0132 154.5240       229.0089 29.29849 12.65908 29.60057 11.94118 
-0.3020821     17.40242 
1 1 1 25  19  15 o 40.05440 8.685801  413.5993       162.7087 328.4091       
230.8721 497.6665       229.3454 36.18830 12.49294 43.92050 12.07058 -7.732193 
17.37160 
1 1 1 25  19  16 o 47.84930 12.73896  605.2731       260.5218 605.2731       
260.5218 0.000000       0.000000 47.84930 12.73896 ?        ?        ? ? 
1 1 1 25  19  17 o 51.33352 8.266044  679.1642       175.2484 563.3708       
246.7173 797.0872       248.9756 46.13154 12.44932 56.53550 10.87770 -10.40396 
16.53209 
1 1 1 25  19  18 o 25.87670 8.177418  -4.263654      183.4355 -65.80663      
263.4912 53.61470       255.5260 24.68964 11.28179 27.06375 11.84069 -2.374111 
16.35484 
1 1 1 25  19  19 o 47.16442 9.224309  607.8240       187.9947 685.6136       
284.0844 547.2173       250.7536 49.62795 13.34359 44.70089 12.73971 4.927059 
18.44862 
1 1 1 25  19  20 o 28.16059 8.398066  119.5504       169.2191 185.9308       
254.9690 67.29309       226.2251 30.31853 12.46539 26.00265 11.25717 4.315880 
16.79613 
1 1 1 25  19  21 o 24.24200 7.785263  -33.55630      171.3047 38.20816       
262.0346 -87.11979      226.3802 26.32533 11.71413 22.15868 10.25770 4.166645 
15.57053 
1 1 1 25  19  22 o 33.46838 8.786283  250.7916       176.6761 511.1313       
269.1888 53.78037       234.1706 41.41081 13.50036 25.52594 11.24879 15.88487 
17.57257 
1 1 1 25  19  23 o 31.39334 8.456655  200.4004       181.0761 -99.90556      
263.9926 467.2205       248.8394 23.14992 10.84335 39.63677 12.98005 -16.48685 
16.91331 
1 1 1 25  19  24 o 24.06100 7.815215  -44.90916      185.1202 86.80140       
253.4915 -195.4223      270.9819 26.41948 11.66514 21.70253 10.40359 4.716948 
15.63043 
1 1 1 25  19  25 o 27.96233 8.588397  126.3796       190.7821 -3.103104      
258.2662 281.9017       283.0465 24.25890 11.12011 31.66575 13.09142 -7.406857 
17.17679 
1 1 1 25  19  26 o 26.69124 8.398097  114.1885       190.0636 111.8869       
261.5694 116.7629       276.6449 26.47986 11.75031 26.90262 12.00176 
-0.4227581     16.79619 
1 1 1 25  19  27 o 23.35856 7.740191  -30.80576      190.7224 -37.68016      
263.2785 -23.21460      276.6635 23.03753 10.79750 23.67959 11.09307 
-0.6420612     15.48038 
1 1 1 25  19  28 o 25.08289 7.900328  103.4567       134.8657 254.2447       
317.1204 70.16273       149.0129 28.83745 12.85777 21.32832 9.183595 7.509134 
15.80066 
1 1 1 25  19  29 o 19.25200 6.762640  -184.2886      128.2224 121.7700       
315.9269 -244.6457      140.2971 25.13638 11.78959 13.36762 6.628629 11.76875 
13.52528 
1 1 1 25  19  30 o 23.51838 7.619933  103.4744       134.5110 250.5165       
329.2423 74.01424       147.3710 26.50001 12.30688 20.53675 8.988566 5.963259 
15.23987 
1 1 1 25  20  0  o 36.84545 8.646464  365.8863       153.4244 405.5197       
245.1301 340.3613       196.7202 37.99072 12.88295 35.70018 11.53582 2.290531 
17.29293 
1 1 1 25  20  1  o 42.18206 8.418159  482.5108       158.5932 387.4104       
228.1032 571.4993       220.6515 37.72602 12.42747 46.63810 11.35868 -8.912083 
16.83632 
1 1 1 25  20  2  o 34.04777 8.288502  298.5995       146.6903 224.9304       
221.1502 356.4766       196.0187 31.17603 11.97877 36.91951 11.45889 -5.743477 
16.57700 
1 1 1 25  20  3  o 24.33207 7.261211  58.29324       130.4710 -38.32134      
202.5455 126.8142       170.5740 22.42591 10.12607 26.23823 10.40977 -3.812325 
14.52242 
1 1 1 25  20  4  o 26.81034 7.663439  121.4400       134.4794 81.74837       
198.4217 155.1615       182.8912 25.75017 10.82095 27.87052 10.85450 -2.120358 
15.32688 
1 1 1 25  20  5  o 37.56472 8.713378  355.4378       155.5676 425.0025       
249.6093 311.2540       198.9288 39.97136 13.00012 35.15808 11.60555 4.813274 
17.42676 
1 1 1 25  20  6  o 18.64289 6.314524  -236.0745      143.1201 -167.6393      
200.3512 -307.3860      204.5180 19.66833 9.264467 17.61747 8.582686 2.050859 
12.62905 
1 1 1 25  20  7  o 35.40094 8.546588  313.0762       155.9414 376.9871       
208.6142 232.1392       234.7632 38.44715 11.79882 32.35472 12.36789 6.092430 
17.09318 
1 1 1 25  20  8  o 46.25557 8.837399  470.2403       173.0215 286.2719       
207.6136 888.5108       313.0494 34.27041 11.84541 58.24073 13.11811 -23.97032 
17.67480 
1 1 1 25  20  9  o 26.03180 8.030416  14.10434       170.1956 114.0023       
230.9743 -104.5745      251.7516 28.32546 11.77522 23.73813 10.92220 4.587332 
16.06083 
1 1 1 25  20  10 o 21.61183 6.923260  -60.78551      135.9799 -110.9518      
207.6601 -23.12739      179.9188 21.32860 9.854679 21.89506 9.726840 
-0.5664635     13.84652 
1 1 1 25  20  11 o 54.29111 7.937970  722.7554       168.7479 735.5888       
291.9819 716.3191       206.7787 52.81734 13.19237 55.76489 8.832142 -2.947544 
15.87594 
1 1 1 25  20  12 o 32.02876 8.891564  182.2022       172.2207 343.7528       
282.4675 86.61519       217.2770 37.12358 13.71391 26.93393 11.32115 10.18965 
17.78313 
1 1 1 25  20  13 o 26.55269 8.395457  -10.48917      191.8877 -5.905683      
282.7939 -14.40022      261.2277 27.08299 12.10689 26.02239 11.63435 1.060598 
16.79091 
1 1 1 25  20  14 o 52.91593 9.166800  761.3549       205.2097 584.8259       
310.7230 897.9109       273.2882 45.81325 14.46758 60.01862 11.26100 -14.20537 
18.33360 
1 1 1 25  20  15 o 25.90715 8.086360  18.07607       171.6895 35.62014       
227.9284 -4.934932      261.0364 25.72355 11.21924 26.09076 11.64841 
-0.3672066     16.17272 
1 1 1 25  20  16 o 45.12489 8.848081  541.2014       174.5031 474.3763       
244.9216 610.0994       248.6910 42.08414 12.75832 48.16565 12.26293 -6.081512 
17.69616 
1 1 1 25  20  17 o 38.86579 12.83475  405.2857       243.2994 0.000000       
0.000000 405.2857       243.2994 ?        ?        38.86579 12.83475 ? ? 
1 1 1 25  20  18 o 29.32611 12.09855  156.3908       240.9952 156.3908       
240.9952 0.000000       0.000000 29.32611 12.09855 ?        ?        ? ? 
1 1 1 25  20  19 o 37.93998 9.009398  389.2662       178.6807 234.6241       
257.5398 532.7904       248.1093 31.97550 12.75796 43.90445 12.72445 -11.92896 
18.01880 
1 1 1 25  20  20 o 29.49783 8.252830  154.4323       169.2735 -74.70371      
254.8440 335.3416       226.4427 23.73205 10.94679 35.26361 12.35333 -11.53156 
16.50566 
1 1 1 25  20  21 o 28.87030 8.563474  156.8101       173.5772 158.6423       
268.3864 155.4927       227.5805 29.39067 12.47879 28.34994 11.73082 1.040728 
17.12695 
1 1 1 25  20  22 o 26.36127 7.920055  -60.91460      175.3714 345.8621       
264.1055 -381.7235      234.5431 34.88683 13.18134 17.83570 8.784148 17.05113 
15.84011 
1 1 1 25  20  23 o 39.48320 8.606787  427.8814       184.2524 120.5252       
256.6996 754.5108       264.6256 27.52911 11.95574 51.43729 12.38416 -23.90818 
17.21357 
1 1 1 25  20  24 o 23.56843 7.738071  -69.81602      184.1039 -177.4506      
250.9111 55.71489       270.9688 21.07103 10.07915 26.06582 11.74401 -4.994789 
15.47614 
1 1 1 25  20  25 o 31.40286 9.082998  273.6853       190.2051 207.0846       
257.7747 353.2854       281.8108 29.16850 12.29909 33.63721 13.36921 -4.468710 
18.16600 
1 1 1 25  20  26 o 23.37969 7.637424  -107.4244      194.6428 172.2021       
255.6217 -493.2652      300.2705 27.75402 11.99014 19.00537 9.463486 8.748653 
15.27485 
1 1 1 25  20  27 f 27.75329 8.059389  162.3766       117.6833 355.3424       
291.9438 124.9377       128.5939 32.22891 13.30819 23.27767 9.094340 8.951239 
16.11878 
1 1 1 25  20  28 o 23.95322 7.786700  45.94662       187.1570 -170.9071      
314.3983 164.9699       232.9232 21.95032 10.68371 25.95613 11.33089 -4.005802 
15.57340 
1 1 1 25  20  29 o 21.39003 7.024376  39.91191       132.4450 -69.96684      
317.2998 63.09592       145.7495 22.37894 10.84208 20.40112 8.934016 1.977823 
14.04875 
1 1 1 25  20  30 o 18.31175 6.437232  -141.6561      130.1300 -85.29682      
325.3261 -152.3911      141.9833 21.86865 10.68580 14.75485 7.180914 7.113797 
12.87446 
1 1 1 25  21  0  o 38.75835 8.564635  421.8213       154.4716 438.0066       
221.9678 406.6213       215.1055 39.40849 12.18622 38.10821 12.03778 1.300278 
17.12927 
1 1 1 25  21  1  o 43.20237 8.554370  516.0184       161.6595 480.3325       
230.0978 550.8027       227.1724 41.48694 12.32400 44.91780 11.86710 -3.430855 
17.10874 
1 1 1 25  21  2  o 52.80981 7.174314  677.8613       150.5782 843.2846       
243.0091 574.7604       191.8472 57.74734 10.40289 47.87227 9.882459 9.875069 
14.34863 
1 1 1 25  21  3  o 18.60547 6.250972  -182.5469      134.0530 -103.2051      
188.1680 -264.3149      191.0235 19.99068 9.291564 17.22026 8.364534 2.770426 
12.50194 
1 1 1 25  21  4  o 23.72641 7.335754  16.90315       134.2039 85.42963       
221.7464 -22.70468      168.5846 26.52449 11.30468 20.92834 9.351865 5.596151 
14.67151 
1 1 1 25  21  5  o 27.15562 8.077070  101.0085       156.4765 133.6934       
227.2702 71.55027       215.7606 28.31695 11.72033 25.99428 11.11711 2.322674 
16.15414 
1 1 1 25  21  6  o 32.75134 8.414742  241.5652       149.9970 155.8792       
195.0412 365.6074       234.6691 28.21390 11.15096 37.28876 12.60506 -9.074862 
16.82948 
1 1 1 25  21  7  o 27.92340 7.813249  122.8688       146.1029 255.3655       
200.3492 -27.62193      213.5207 32.50819 11.59644 23.33862 10.47425 9.169569 
15.62650 
1 1 1 25  21  8  o 50.33255 9.030547  647.0221       189.6533 513.8864       
243.5573 852.0891       302.2747 43.99535 12.56097 56.66975 12.97787 -12.67440 
18.06109 
1 1 1 25  21  9  o 38.18286 9.283090  372.7404       178.5419 312.9690       
233.1166 457.5501       277.6827 35.31297 12.51768 41.05275 13.71170 -5.739780 
18.56618 
1 1 1 25  21  10 o 39.27876 9.367444  339.4876       176.6260 646.8393       
319.9089 204.7152       211.8405 47.85235 14.59602 30.70517 11.74530 17.14717 
18.73489 
1 1 1 25  21  11 o 41.42256 8.927210  398.6464       162.4314 655.5097       
291.0154 282.4136       195.7624 49.00973 13.64681 33.83539 11.51282 15.17434 
17.85442 
1 1 1 25  21  12 o 24.69406 7.967453  -68.18146      182.4418 -27.55481      
272.5997 -101.1428      245.5400 26.04932 11.75559 23.33880 10.75767 2.710524 
15.93491 
1 1 1 25  21  13 o 35.92929 9.238810  325.8448       186.9297 196.6045       
288.0964 419.8168       245.6623 32.10309 13.23344 39.75550 12.89568 -7.652405 
18.47762 
1 1 1 25  21  14 o 29.80768 8.530689  55.75892       178.8167 391.0097       
285.3029 -161.1425      229.4841 38.30793 13.82102 21.30743 10.00350 17.00051 
17.06138 
1 1 1 25  21  15 o 33.41029 9.390919  240.5292       203.7967 104.7843       
296.6323 361.8850       280.4704 29.71336 12.87741 37.10722 13.67222 -7.393856 
18.78184 
1 1 1 25  21  16 o 31.19101 8.302059  174.8832       167.1872 400.6122       
234.9470 -56.66975      237.9586 38.67117 12.61252 23.71085 10.79912 14.96033 
16.60412 
1 1 1 25  21  17 o 27.46931 8.248261  101.8094       166.0347 124.4473       
233.0332 78.46829       236.6250 28.07848 11.75970 26.86014 11.56913 1.218346 
16.49652 
1 1 1 25  21  18 o 45.01651 8.989025  550.7334       181.9917 399.8268       
246.7444 730.7712       269.5101 38.10962 12.92530 51.92340 12.49588 -13.81377 
17.97805 
1 1 1 25  21  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  21  20 o 25.81606 8.112925  1.742252       183.8141 -159.0641      
261.2282 159.4453       258.6953 22.36513 10.54762 29.26698 12.32988 -6.901859 
16.22585 
1 1 1 25  21  21 o 31.22714 8.628057  202.4337       171.2926 408.7791       
261.1991 46.72847       226.8955 37.39533 13.25078 25.05894 11.05397 12.33638 
17.25611 
1 1 1 25  21  22 o 38.51505 8.361157  368.3267       159.9896 693.5691       
256.7448 161.8567       204.5628 49.39876 12.39030 27.63133 11.23015 21.76743 
16.72231 
1 1 1 25  21  23 o 26.45497 8.050849  107.1548       164.6095 20.52069       
248.2439 175.1407       219.9091 24.74850 11.19067 28.16145 11.57729 -3.412945 
16.10170 
1 1 1 25  21  24 o 24.18004 7.849377  -42.39749      184.4281 -191.8233      
253.3702 125.9946       268.9698 20.87208 10.01862 27.48800 12.08628 -6.615915 
15.69875 
1 1 1 25  21  25 o 32.66066 9.276140  322.2720       197.4735 416.0571       
281.0432 230.8174       277.5294 35.46272 13.53907 29.85861 12.68387 5.604109 
18.55228 
1 1 1 25  21  26 o 28.92134 8.746041  160.7623       199.9933 420.2500       
294.5601 -61.15760      272.4041 34.73059 13.71089 23.11208 10.86206 11.61852 
17.49208 
1 1 1 25  21  27 o 23.05878 7.460492  41.99352       133.4434 78.43562       
305.5647 33.40554       148.3361 25.83641 11.94382 20.28116 8.943200 5.555254 
14.92098 
1 1 1 25  21  28 o 24.48381 7.615466  129.6022       132.3094 82.83524       
325.9383 138.8290       144.7741 25.32093 11.89475 23.64668 9.512947 1.674250 
15.23093 
1 1 1 25  21  29 o 20.69527 7.004539  -16.18868      129.8968 65.65462       
316.9428 -32.71135      142.4063 23.98909 11.43974 17.40145 8.086194 6.587643 
14.00908 
1 1 1 25  21  30 o 21.97962 7.263702  41.86731       131.8471 203.8860       
302.8067 3.964674       146.4595 25.58160 11.85039 18.37765 8.403203 7.203953 
14.52740 
1 1 1 25  22  0  o 21.00677 6.871920  -75.40083      143.7270 -32.51608      
210.8722 -112.6080      196.4180 22.22055 10.13259 19.79300 9.285677 2.427559 
13.74384 
1 1 1 25  22  1  o 44.10741 8.294317  538.7325       156.0928 548.7754       
227.4305 529.7889       214.6231 44.28598 11.95351 43.92884 11.50202 0.3571358 
16.58863 
1 1 1 25  22  2  o 35.63207 8.276531  350.4710       145.4483 286.5115       
223.8931 397.1725       191.3168 32.88945 12.19751 38.37469 11.19038 -5.485241 
16.55306 
1 1 1 25  22  3  o 25.94767 7.686718  66.29959       144.4484 225.4359       
222.6466 -49.36998      189.8196 30.73034 11.97463 21.16500 9.641094 9.565342 
15.37344 
1 1 1 25  22  4  o 22.80270 7.051583  13.75637       128.3603 83.64814       
192.5799 -42.11576      172.1851 25.14676 10.61828 20.45864 9.281784 4.688120 
14.10317 
1 1 1 25  22  5  o 34.74974 8.407819  307.7828       152.9946 428.1326       
219.7208 194.5103       213.1624 39.76376 12.08999 29.73573 11.68751 10.02803 
16.81564 
1 1 1 25  22  6  f 32.56433 8.094243  260.8542       149.7712 382.4866       
195.1748 86.64769       233.5777 38.20453 11.35058 26.92413 11.54259 11.28040 
16.18849 
1 1 1 25  22  7  o 28.50950 8.317491  89.17480       169.4839 -71.82571      
226.2786 294.9255       255.8000 22.76696 10.42471 34.25205 12.96333 -11.48509 
16.63498 
1 1 1 25  22  8  o 47.27678 9.532605  613.8699       198.4000 520.9344       
264.9634 732.4759       299.3289 43.32722 13.29733 51.22634 13.66248 -7.899117 
19.06521 
1 1 1 25  22  9  o 31.14551 9.026486  177.8590       183.0067 273.3274       
299.9763 121.2626       230.9678 34.22854 13.72516 28.06247 11.72731 6.166069 
18.05297 
1 1 1 25  22  10 o 31.99820 8.687067  218.2740       154.9145 315.5499       
275.4660 173.2790       187.3473 35.35871 13.43180 28.63769 11.02032 6.721025 
17.37413 
1 1 1 25  22  11 o 58.52199 7.954823  771.4329       171.1302 1128.204       
337.6077 648.0676       198.5246 65.36231 12.75800 51.68167 9.505280 13.68064 
15.90965 
1 1 1 25  22  12 o 29.81536 8.691262  128.2976       175.7943 291.3997       
278.8578 20.72916       226.4620 34.55480 13.41432 25.07593 11.05478 9.478865 
17.38252 
1 1 1 25  22  13 f 38.40093 8.965878  232.6528       197.7551 813.8157       
328.5673 -97.45318      247.6293 53.48056 14.33716 23.32130 10.77003 30.15926 
17.93176 
1 1 1 25  22  14 o 34.50880 9.459139  281.3711       204.9114 126.6580       
299.7322 417.1309       280.7730 30.14231 13.00222 38.87529 13.74203 -8.732977 
18.91828 
1 1 1 25  22  15 o 31.57429 9.146937  181.6525       202.8445 12.08012       
292.8482 338.0424       281.2350 27.23959 12.24440 35.90899 13.59193 -8.669403 
18.29387 
1 1 1 25  22  16 o 38.06198 8.980727  386.9375       170.6262 294.9986       
232.9069 493.4398       250.6756 33.96207 12.46437 42.16190 12.93265 -8.199833 
17.96145 
1 1 1 25  22  17 o 36.36436 9.385257  359.5564       187.3428 317.0498       
264.0360 402.6520       265.8588 34.78120 13.16838 37.94751 13.37632 -3.166306 
18.77051 
1 1 1 25  22  18 o 33.44865 8.907535  289.0475       170.5658 272.0417       
241.5629 305.9563       240.8715 32.80694 12.54428 34.09036 12.64982 -1.283424 
17.81507 
1 1 1 25  22  19 o 21.48925 7.277141  -217.6739      185.1994 -184.2253      
243.8809 -263.2374      284.6409 21.16409 10.07146 21.81440 10.50680 
-0.6503124     14.55428 
1 1 1 25  22  20 o 24.24391 7.730072  -42.97426      174.6158 126.2378       
241.6507 -227.8696      252.6012 27.69498 11.80227 20.79284 9.986116 6.902143 
15.46014 
1 1 1 25  22  21 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 25  22  22 o 29.98968 7.972157  185.4776       151.0755 405.6229       
221.2657 -6.778415      206.7757 37.37333 12.23979 22.60604 10.21806 14.76729 
15.94431 
1 1 1 25  22  23 o 24.85108 7.992054  7.836622       185.6293 88.57659       
251.0158 -89.60964      275.7651 26.27395 11.60354 23.42822 10.99316 2.845734 
15.98411 
1 1 1 25  22  24 o 22.46827 7.327743  -43.80743      163.6307 -154.8955      
248.8881 40.76358       217.1606 21.14400 10.09592 23.79253 10.62335 -2.648529 
14.65549 
1 1 1 25  22  25 o 28.75391 8.770147  173.2173       197.4870 332.3539       
289.5147 34.73389       270.0751 32.50255 13.30968 25.00528 11.42429 7.497267 
17.54029 
1 1 1 25  22  26 o 34.23483 8.614569  340.8731       136.6410 453.1606       
309.5666 313.7026       152.2780 35.11449 13.99458 33.35516 10.04962 1.759327 
17.22914 
1 1 1 25  22  27 o 17.91440 6.055847  -65.15392      104.7088 -271.2914      
265.2160 -27.08982      113.9670 19.43199 9.534178 16.39681 7.469445 3.035179 
12.11169 
1 1 1 25  22  28 o 24.93954 7.747177  139.6642       130.4432 215.6188       
313.3897 123.7475       143.4611 27.07797 12.34888 22.80111 9.358423 4.276861 
15.49435 
1 1 1 25  22  29 o 19.33280 6.571863  -47.27719      131.3632 -131.4824      
301.4509 -27.53879      145.9497 21.03330 10.27962 17.63230 8.190660 3.401003 
13.14373 
1 1 1 25  23  0  o 21.67750 6.824656  11.29337       126.2484 -29.31691      
180.1741 50.46504       176.9540 20.64689 9.401830 22.70811 9.894912 -2.061220 
13.64931 
1 1 1 25  23  1  o 39.97866 8.369996  462.5862       153.2281 382.3143       
223.6095 533.6467       210.3889 36.15251 12.30444 43.80481 11.35024 -7.652298 
16.73999 
1 1 1 25  23  2  o 39.09110 8.204696  420.7527       143.2737 491.0411       
220.7426 369.5883       188.3340 41.56311 11.98806 36.61909 11.20512 4.944016 
16.40939 
1 1 1 25  23  3  o 23.18415 7.098916  30.47659       130.7458 -58.00711      
182.2131 124.3843       187.7148 20.37726 9.340624 25.99105 10.69258 -5.613792 
14.19783 
1 1 1 25  23  4  o 25.39997 7.616585  80.15482       141.9692 158.9358       
211.4820 15.52752       191.5450 27.97157 11.40170 22.82836 10.10201 5.143211 
15.23317 
1 1 1 25  23  5  o 33.94532 7.922627  299.6048       132.9236 375.4175       
193.7034 232.1310       182.7402 37.36184 11.35004 30.52881 11.05661 6.833033 
15.84525 
1 1 1 25  23  6  o 28.89581 8.453071  153.8409       170.6070 61.56646       
252.8711 230.9373       231.1401 26.63934 11.71603 31.15229 12.18820 -4.512945 
16.90614 
1 1 1 25  23  7  o 33.14154 9.319419  254.2802       194.0368 371.8983       
297.3333 167.0336       256.0829 36.59787 13.93947 29.68521 12.37326 6.912663 
18.63884 
1 1 1 25  23  8  o 33.93993 9.355156  285.7363       197.7964 379.1603       
268.5469 174.9567       292.4291 37.05886 13.40520 30.82099 13.05283 6.237871 
18.71031 
1 1 1 25  23  9  o 31.25666 9.062628  177.8962       181.8025 334.0903       
311.5088 97.21329       223.8871 35.68768 14.09632 26.82564 11.39380 8.862040 
18.12526 
1 1 1 25  23  10 o 21.32947 7.094426  -146.7057      157.5880 -101.5755      
253.9190 -174.9786      200.9772 23.35131 10.83044 19.30762 9.166526 4.043692 
14.18885 
1 1 1 25  23  11 o 34.93235 8.684664  287.9979       150.0573 441.3838       
266.4399 216.7455       181.5960 39.67083 13.43125 30.19387 11.01340 9.476963 
17.36933 
1 1 1 25  23  12 o 21.88374 7.423455  -234.9497      179.6668 -134.1017      
313.7753 -284.1435      219.1494 25.20852 11.81010 18.55895 8.997343 6.649574 
14.84691 
1 1 1 25  23  13 o 27.34266 8.460288  48.85923       186.8899 165.4100       
276.7131 -48.89873      253.4242 30.31447 12.76069 24.37086 11.11174 5.943609 
16.92058 
1 1 1 25  23  14 o 38.50845 9.317366  375.8541       185.1009 612.2267       
293.5263 219.7963       238.5016 45.88138 13.97851 31.13552 12.32292 14.74586 
18.63473 
1 1 1 25  23  15 o 39.24799 9.258655  330.1826       215.5379 -49.72237      
287.1278 820.6284       326.2371 25.58100 11.72567 52.91497 14.33176 -27.33397 
18.51731 
1 1 1 25  23  16 o 55.90763 8.151227  824.8865       185.0135 902.3593       
258.6142 743.6678       264.7924 59.42817 10.76060 52.38708 12.24661 7.041088 
16.30245 
1 1 1 25  23  17 o 28.83981 8.387608  135.6400       170.2941 287.5966       
246.7288 -2.611021      235.3391 33.29628 12.69330 24.38333 10.96759 8.912947 
16.77522 
1 1 1 25  23  18 o 36.11434 8.865402  338.8336       178.7138 138.1226       
248.0327 555.5370       257.7249 28.32899 12.01054 43.89969 13.04333 -15.57069 
17.73080 
1 1 1 25  23  19 o 28.70493 8.390167  166.8832       164.1242 146.2299       
223.2182 191.1882       242.1491 27.78814 11.56534 29.62173 12.15823 -1.833582 
16.78033 
1 1 1 25  23  20 o 27.23494 8.172924  126.3572       164.2367 172.7173       
215.3387 61.88826       253.9362 28.29016 11.51402 26.17971 11.60233 2.110445 
16.34585 
1 1 1 25  23  21 o 21.51431 7.090076  -92.12231      158.1129 -59.14417      
215.5119 -130.5655      232.6849 21.82390 10.06663 21.20473 9.986974 0.6191711 
14.18015 
1 1 1 25  23  22 o 27.25844 8.010344  148.7574       153.3362 76.61389       
219.5370 217.4741       214.2597 25.09544 10.97741 29.42145 11.66871 -4.326010 
16.02069 
1 1 1 25  23  23 o 19.59726 9.399589  -181.5791      221.9724 -181.5791      
221.9724 0.000000       0.000000 19.59726 9.399589 ?        ?        ? ? 
1 1 1 25  23  24 o 18.88186 6.438563  -80.32687      108.8954 -244.0471      
300.9336 -55.65902      116.8114 21.72961 10.53725 16.03412 7.401803 5.695490 
12.87713 
1 1 1 25  23  25 o 34.90171 6.771597  399.7412       134.7530 -100.9916      
298.7238 527.6648       150.9879 23.31688 11.11607 46.48654 7.736347 -23.16966 
13.54319 
1 1 1 25  23  26 o 27.48245 8.175718  167.7069       131.3239 315.2634       
307.1819 134.7073       145.2683 30.93412 13.24846 24.03078 9.583729 6.903339 
16.35144 
1 1 1 25  23  27 o 28.76018 7.899391  253.5841       129.5568 180.9745       
316.0327 268.2516       142.0408 27.16154 12.39072 30.35881 9.801607 -3.197269 
15.79878 
1 1 1 25  23  28 f 22.83515 7.362229  79.58768       130.5738 138.2491       
297.5270 65.59428       145.3155 25.16609 11.69190 20.50421 8.950369 4.661877 
14.72446 
1 1 1 25  23  29 o 18.38558 6.293120  -90.81285      128.4196 -60.29510      
252.8437 -101.4221      149.0797 20.66416 9.940487 16.10700 7.720116 4.557156 
12.58624 
1 1 1 25  24  0  o 19.85050 6.355061  -16.99150      114.4291 -33.53855      
160.0780 0.2991253      163.6351 19.30947 8.811359 20.39153 9.160083 -1.082064 
12.71012 
1 1 1 25  24  1  o 20.60709 6.938701  -131.7202      159.1837 -293.0290      
292.4349 -63.79791      189.7607 20.99732 10.23527 20.21687 9.371308 0.7804470 
13.87740 
1 1 1 25  24  2  o 22.65372 7.323904  -9.006634      147.7934 -66.24589      
269.3884 15.64031       176.7720 23.59711 11.02547 21.71033 9.643512 1.886780 
14.64781 
1 1 1 25  24  3  o 43.40093 7.784515  515.9158       141.5518 513.2722       
213.7256 517.9815       188.9289 42.67457 11.61883 44.12729 10.36328 -1.452713 
15.56903 
1 1 1 25  24  4  o 27.56044 7.732107  141.3712       142.5229 289.7831       
204.3567 0.8204774      198.8708 32.60017 11.70358 22.52070 10.10783 10.07948 
15.46421 
1 1 1 25  24  5  o 26.18567 8.080454  85.77425       163.3507 39.59795       
281.0582 109.3288       200.7354 26.53089 11.95671 25.84044 10.87254 0.6904488 
16.16091 
1 1 1 25  24  6  o 24.43814 7.885542  -18.58392      175.1025 -23.67736      
287.3709 -15.57611      220.8325 25.61287 11.73624 23.26340 10.53507 2.349472 
15.77108 
1 1 1 25  24  7  o 28.93804 8.617694  143.8968       181.7720 248.1944       
260.8370 45.42242       253.4509 31.84286 12.78604 26.03322 11.55750 5.809637 
17.23539 
1 1 1 25  24  8  o 31.55241 9.028121  220.9064       186.2435 134.5383       
248.2928 332.0163       281.6203 28.26963 12.00269 34.83520 13.48938 -6.565575 
18.05624 
1 1 1 25  24  9  o 28.05350 8.453686  120.5827       178.3650 -6.484548      
293.8401 194.7195       224.4457 26.42334 12.02536 29.68365 11.88486 -3.260317 
16.90737 
1 1 1 25  24  10 o 30.37682 8.414680  184.1725       146.8973 334.6103       
264.2318 116.8778       176.7246 35.09430 13.20378 25.65933 10.43493 9.434971 
16.82936 
1 1 1 25  24  11 o 23.81234 7.552033  -12.40508      144.9034 84.28373       
259.6570 -56.13552      174.6239 27.41113 11.96480 20.21354 9.218270 7.197594 
15.10407 
1 1 1 25  24  12 o 34.08863 8.840024  309.6771       170.1259 211.5336       
268.4037 375.5866       219.9539 31.13177 12.79296 37.04549 12.20345 -5.913717 
17.68005 
1 1 1 25  24  13 f 46.97746 9.289659  621.8880       186.9249 663.0073       
302.4424 596.4726       237.7762 47.15318 14.15406 46.80173 12.03551 0.3514404 
18.57932 
1 1 1 25  24  14 o 34.83986 9.045194  329.0698       175.4734 381.9699       
240.3350 268.6752       256.7958 36.98673 12.74854 32.69299 12.83498 4.293739 
18.09039 
1 1 1 25  24  15 o 32.40777 8.754502  248.2252       181.4760 411.4523       
242.9961 42.36902       272.8885 38.10453 12.82675 26.71102 11.91804 11.39351 
17.50900 
1 1 1 25  24  16 o 34.22002 9.113624  316.6534       182.3124 388.2636       
247.3452 231.4702       269.7693 36.95407 12.91419 31.48596 12.86298 5.468105 
18.22725 
1 1 1 25  24  17 o 26.98323 8.215569  101.4771       168.5817 139.8439       
244.9986 66.97644       232.3268 28.16743 11.93918 25.79902 11.28885 2.368408 
16.43114 
1 1 1 25  24  18 o 36.15238 9.227178  380.2505       179.5968 400.9318       
231.0050 348.6480       285.5574 37.38826 12.50626 34.91649 13.57043 2.471771 
18.45436 
1 1 1 25  24  19 o 31.09142 8.729008  228.2494       176.1517 100.6655       
246.0852 362.3183       252.2619 26.85127 11.68433 35.33157 12.97146 -8.480299 
17.45802 
1 1 1 25  24  20 o 27.38355 8.075847  137.5666       161.3359 238.5993       
214.3364 5.487051       245.0658 30.39483 11.76851 24.37228 11.06252 6.022551 
16.15169 
1 1 1 25  24  21 o 23.99679 7.533587  21.10615       155.9292 -94.51266      
221.0633 135.5893       219.9750 21.20301 9.929850 26.79058 11.33216 -5.587563 
15.06717 
1 1 1 25  24  22 o 32.16331 8.570117  294.1263       167.0636 154.4139       
255.5650 398.3797       220.7644 27.86634 12.01310 36.46027 12.22591 -8.593931 
17.14023 
1 1 1 25  24  23 o 23.21423 7.633728  -4.398180      123.8780 129.2064       
333.5249 -25.77889      133.4224 28.39724 12.89373 18.03122 8.176004 10.36602 
15.26746 
1 1 1 25  24  24 o 19.51974 8.548265  23.34443       133.4419 0.000000       
0.000000 23.34443       133.4419 ?        ?        19.51974 8.548265 ? ? 
1 1 1 25  24  25 o 34.56680 8.318783  410.7942       167.3733 117.4831       
333.1128 509.8506       193.5835 27.29708 12.56142 41.83653 10.90960 -14.53946 
16.63757 
1 1 1 25  24  26 f 39.15449 8.560384  464.4865       134.6742 607.4049       
324.8952 434.8350       147.9867 38.17003 14.56161 40.13895 9.004454 -1.968918 
17.12077 
1 1 1 25  24  27 o 28.76268 7.232852  276.0268       130.4225 -51.11403      
292.7145 357.0597       145.6826 22.52752 10.80237 34.99785 9.621091 -12.47034 
14.46570 
1 1 1 25  24  28 f 22.89044 7.003893  119.8184       128.8003 -59.45933      
253.3324 182.3163       149.5754 20.87182 10.01834 24.90905 9.790343 -4.037226 
14.00779 
1 1 1 25  24  29 o 19.55838 6.536539  -11.13095      120.1033 14.43808       
255.7844 -18.36275      136.0317 21.81269 10.34888 17.30408 7.987870 4.508612 
13.07308 
1 1 1 25  25  0  o 29.73680 7.313701  226.5286       118.4189 388.6341       
180.9925 105.1954       156.5855 36.22565 10.96463 23.24794 9.681823 12.97771 
14.62740 
1 1 1 25  25  1  o 21.30807 7.090501  -84.34338      153.8404 -4.601372      
260.1897 -127.2043      190.7556 23.85986 11.02677 18.75628 8.916898 5.103579 
14.18100 
1 1 1 25  25  2  o 36.74301 8.371902  411.9401       151.9051 315.5334       
229.4467 487.1701       202.6861 32.48373 12.28232 41.00229 11.37980 -8.518562 
16.74380 
1 1 1 25  25  3  o 19.97491 6.319775  -66.06268      120.1228 -267.8182      
176.6353 107.5292       163.8436 15.86624 7.783415 24.08359 9.958749 -8.217348 
12.63955 
1 1 1 25  25  4  o 25.97797 7.676043  111.5875       152.7680 -138.5151      
270.9049 228.2058       184.9869 22.43907 10.64810 29.51687 11.05914 -7.077799 
15.35209 
1 1 1 25  25  5  o 31.13598 8.645189  260.4779       166.7924 167.6482       
293.9818 304.5436       202.5477 29.28553 12.75750 32.98642 11.67062 -3.700890 
17.29038 
1 1 1 25  25  6  o 20.11986 6.848691  -187.9596      155.8302 -162.6443      
274.7570 -199.9641      189.2038 22.43965 10.68394 17.80006 8.571566 4.639591 
13.69738 
1 1 1 25  25  7  o 28.41855 8.656405  132.9602       185.4109 221.6937       
286.1443 68.74287       243.4262 30.89145 12.98865 25.94566 11.44676 4.945787 
17.31281 
1 1 1 25  25  8  o 27.02711 8.513024  61.02260       197.1020 136.8644       
281.3643 -12.05873      276.1963 28.73880 12.49957 25.31542 11.56059 3.423380 
17.02605 
1 1 1 25  25  9  o 31.90956 9.103348  251.1496       194.3119 123.8556       
297.3674 346.0032       256.6943 28.89908 12.70750 34.92004 13.03853 -6.020956 
18.20670 
1 1 1 25  25  10 o 34.10687 8.115157  327.5764       152.2031 113.7567       
264.8921 432.9612       185.9662 27.91530 12.13457 40.29845 10.77847 -12.38315 
16.23031 
1 1 1 25  25  11 o 23.45818 7.432285  -100.4096      161.0209 181.8317       
241.6524 -325.7957      215.9456 29.32348 12.10809 17.59287 8.622622 11.73061 
14.86457 
1 1 1 25  25  12 o 38.12515 9.041304  423.5702       176.5439 509.6024       
235.5271 313.2471       266.7126 42.35984 12.43668 33.89046 13.12667 8.469383 
18.08261 
1 1 1 25  25  13 o 25.63578 7.916619  46.70001       167.9574 166.7187       
225.0857 -104.0840      252.2906 28.49282 11.71301 22.77875 10.65349 5.714069 
15.83324 
1 1 1 25  25  14 o 25.14201 7.923193  31.20758       169.0664 -4.453489      
233.8497 70.25852       244.7121 24.04039 10.86641 26.24362 11.53382 -2.203230 
15.84639 
1 1 1 25  25  15 o 27.44898 8.083915  46.55570       186.1913 326.4274       
238.4017 -391.1156      298.1288 34.25266 12.60670 20.64529 10.12274 13.60737 
16.16783 
1 1 1 25  25  16 o 39.83644 9.141184  464.1092       176.1373 548.5357       
257.4264 389.7909       241.5248 43.02271 13.08738 36.65017 12.76579 6.372536 
18.28237 
1 1 1 25  25  17 f 22.92694 7.429532  -55.59991      164.9424 39.61618       
233.9046 -149.7796      232.6281 24.90789 11.07592 20.94599 9.905342 3.961901 
14.85906 
1 1 1 25  25  18 o 26.65135 8.104815  89.44766       169.3627 218.1356       
241.7687 -34.55148      237.3233 30.03184 12.20778 23.27086 10.66407 6.760981 
16.20963 
1 1 1 25  25  19 o 36.68139 8.884581  392.7531       163.7913 342.6597       
216.0081 460.5169       251.2341 34.52527 12.06814 38.83752 13.04236 -4.312248 
17.76916 
1 1 1 25  25  20 o 28.24387 7.994943  160.4935       159.2639 324.6861       
214.4679 -41.37011      237.8014 33.56972 11.99579 22.91801 10.57249 10.65171 
15.98989 
1 1 1 25  25  21 o 25.40047 7.955114  74.31447       169.6037 -35.48349      
281.3398 136.9974       212.5732 24.38496 11.34455 26.41599 11.15511 -2.031029 
15.91023 
1 1 1 25  25  22 o 22.57088 6.908291  53.12517       126.0059 -429.8738      
317.6635 143.3118       137.2667 20.36761 10.06916 24.77415 9.460972 -4.406544 
13.81658 
1 1 1 25  25  23 f 25.02084 7.368946  134.8970       114.0359 -82.83221      
325.2187 165.4199       121.7670 24.44808 11.63236 25.59361 9.049509 -1.145533 
14.73789 
1 1 1 25  25  24 o 23.80761 7.774148  7.783414       114.6522 278.4666       
336.7544 -27.70651      121.9369 30.55059 13.47284 17.06463 7.760934 13.48596 
15.54830 
1 1 1 25  25  25 o 22.98302 7.512223  35.50634       117.9850 138.1041       
334.8698 20.96503       126.0691 27.20815 12.54950 18.75789 8.260992 8.450262 
15.02445 
1 1 1 25  25  26 o 21.55841 10.12554  -30.35861      235.9932 0.000000       
0.000000 -30.35861      235.9932 ?        ?        21.55841 10.12554 ? ? 
1 1 1 25  25  27 o 19.99925 6.520523  9.785276       104.6305 95.82890       
226.9223 -13.44666      117.9127 23.30213 10.59494 16.69636 7.603689 6.605768 
13.04105 
1 1 1 25  25  28 o 19.92671 6.384491  38.44360       114.0841 -175.3316      
250.7780 94.23015       128.1078 19.07911 9.336501 20.77430 8.710722 -1.695190 
12.76898 
1 1 1 25  26  0  o 18.79178 6.127808  -49.72983      115.6737 -152.3215      
164.5483 50.49975       162.6429 16.46939 7.946163 21.11417 9.330521 -4.644779 
12.25562 
1 1 1 25  26  1  o 22.20060 7.021255  -0.3714986     138.1680 -137.6144      
184.8589 173.3418       207.9754 17.99720 8.619013 26.40399 11.08624 -8.406794 
14.04251 
1 1 1 25  26  2  o 28.16071 7.878767  214.6594       138.8375 178.4432       
192.6566 253.7890       200.2556 26.72280 10.88584 29.59861 11.39291 -2.875813 
15.75753 
1 1 1 25  26  3  o 24.08374 6.581731  49.12896       122.6544 -278.1041      
189.2152 286.2837       161.0806 16.29413 8.013352 31.87335 10.44332 -15.57922 
13.16346 
1 1 1 25  26  4  o 31.81797 7.757011  288.4121       133.5750 170.0460       
201.3655 381.4246       178.5014 27.02256 11.08859 36.61339 10.85026 -9.590832 
15.51402 
1 1 1 25  26  5  o 23.90578 7.145171  76.08885       129.1674 -32.81659      
186.6162 176.2467       178.9646 20.75938 9.489443 27.05218 10.68477 -6.292797 
14.29034 
1 1 1 25  26  6  o 28.58179 8.485238  183.3259       176.3878 64.50109       
287.4295 255.1072       223.4001 26.53225 12.01705 30.63134 11.98280 -4.099098 
16.97048 
1 1 1 25  26  7  o 29.50196 8.575236  161.2670       164.1650 392.1176       
286.8499 48.82978       200.1908 35.37763 13.63169 23.62630 10.40749 11.75134 
17.15047 
1 1 1 25  26  8  o 32.97263 9.190169  310.2598       186.7396 305.2819       
256.8835 315.8384       271.9386 32.78913 12.84485 33.15614 13.14712 
-0.3670044     18.38034 
1 1 1 25  26  9  o 29.36415 8.465283  186.0261       172.0600 49.82438       
245.7613 316.9675       240.9687 25.36479 11.31397 33.36351 12.59517 -7.998716 
16.93057 
1 1 1 25  26  10 f 23.17556 7.068775  38.44562       133.4635 -129.0102      
216.6320 140.8882       169.4387 20.47194 9.640230 25.87919 10.34100 -5.407248 
14.13755 
1 1 1 25  26  11 o 30.07749 7.960564  173.6149       155.1962 426.7152       
225.1341 -55.56719      214.2325 38.30204 12.33727 21.85294 10.06351 16.44910 
15.92113 
1 1 1 25  26  12 o 31.00117 8.123178  221.3997       153.8381 413.0113       
221.0399 41.39752       214.2391 37.81649 12.22895 24.18584 10.69564 13.63065 
16.24636 
1 1 1 25  26  13 o 32.25517 8.086784  235.2008       161.6074 -27.15395      
229.3481 493.9236       227.7551 23.13560 10.55450 41.37473 12.25507 -18.23914 
16.17357 
1 1 1 25  26  14 o 26.87522 8.304445  93.40271       181.7496 176.1302       
234.0644 -32.22128      288.4342 28.60242 11.86974 25.14802 11.61742 3.454399 
16.60889 
1 1 1 25  26  15 o 39.80762 9.583035  492.4574       191.0340 491.8402       
250.8640 493.3093       294.7329 40.34940 13.02585 39.26583 14.05936 1.083565 
19.16607 
1 1 1 25  26  16 o 30.98602 8.766035  214.6218       165.2117 125.5107       
201.7176 396.2016       287.9463 26.12575 10.94142 35.84629 13.69886 -9.720543 
17.53207 
1 1 1 25  26  17 o 25.66003 7.831038  66.18243       156.5779 -47.41695      
207.4995 216.4071       238.6161 21.60560 9.930452 29.71446 12.11143 -8.108860 
15.66208 
1 1 1 25  26  18 o 24.87144 7.659558  65.32648       155.4703 161.2586       
206.6417 -59.81133      236.0098 27.26013 11.21736 22.48276 10.43294 4.777378 
15.31912 
1 1 1 25  26  19 o 23.21936 7.576795  -35.00915      173.1841 -8.517008      
243.1445 -62.28916      246.7336 23.69215 10.83076 22.74657 10.59839 0.9455833 
15.15359 
1 1 1 25  26  20 o 24.00335 7.383538  90.98711       111.8762 -24.83704      
313.0640 107.9440       119.7860 25.36594 11.86505 22.64077 8.791317 2.725174 
14.76708 
1 1 1 25  26  21 o 20.14491 7.068791  -170.0643      121.6128 -11.70659      
355.6927 -191.0266      129.4118 26.38640 12.40414 13.90341 6.782959 12.48299 
14.13758 
1 1 1 25  26  22 o 23.79049 7.599785  55.19793       110.8108 143.9286       
324.7973 43.50951       117.8836 28.13356 12.75667 19.44743 8.264042 8.686129 
15.19957 
1 1 1 25  26  23 o 35.16372 8.697517  296.9091       116.2317 622.0621       
334.3953 252.2266       123.9610 39.67127 14.86793 30.65617 9.029509 9.015102 
17.39503 
1 1 1 25  26  24 o 25.22309 7.880742  95.15808       112.4688 286.9800       
330.1718 69.97858       119.6229 30.07138 13.29075 20.37479 8.472330 9.696590 
15.76148 
1 1 1 25  26  25 o 22.80805 6.955588  102.4955       109.2592 -9.734139      
269.0461 124.6590       119.5619 22.93633 10.78395 22.67978 8.787905 0.2565460 
13.91118 
1 1 1 25  26  26 o 21.85762 6.800489  80.26720       105.3139 118.4434       
223.8101 69.41045       119.3530 23.91383 10.72825 19.80141 8.360104 4.112423 
13.60098 
1 1 1 25  26  27 o 25.79594 7.025017  208.3993       108.2505 117.9916       
231.5470 233.6862       122.4570 23.53295 10.70055 28.05893 9.105037 -4.525972 
14.05003 
1 1 1 25  27  0  o 31.78500 7.268466  319.7140       111.2815 272.7433       
152.4246 373.3254       162.8432 29.33523 10.14865 34.23477 10.40804 -4.899536 
14.53693 
1 1 1 25  27  1  o 39.10863 7.908523  491.6803       136.6562 473.2184       
198.6184 508.2764       188.3150 37.83496 11.49301 40.38230 10.86690 -2.547340 
15.81705 
1 1 1 25  27  2  o 25.98989 7.505296  179.8359       130.4421 209.1958       
178.5167 146.2022       191.0684 27.07435 10.67840 24.90543 10.54939 2.168919 
15.01059 
1 1 1 25  27  3  o 21.75850 6.749396  40.94132       118.2632 129.5926       
182.6296 -23.07824      155.1976 24.55088 10.35220 18.96611 8.663096 5.584768 
13.49879 
1 1 1 25  27  4  o 26.26363 7.493998  171.0135       127.2453 178.3855       
188.1599 164.8008       172.7324 26.61980 10.78872 25.90747 10.40402 0.7123318 
14.98800 
1 1 1 25  27  5  o 20.54811 6.634797  -30.23125      129.0548 39.52053       
187.7845 -92.66312      177.6582 22.36909 9.937338 18.72713 8.793830 3.641964 
13.26959 
1 1 1 25  27  6  o 41.32946 7.860434  494.7951       140.2054 449.5227       
205.7809 534.0201       191.5445 38.79960 11.68092 43.85931 10.52149 -5.059711 
15.72087 
1 1 1 25  27  7  o 40.06419 8.411295  489.4289       164.4440 667.4650       
228.1782 297.0323       237.2022 48.36715 11.40832 31.76122 12.36324 16.60593 
16.82259 
1 1 1 25  27  8  o 26.96811 8.190975  135.3788       169.1316 62.03392       
241.9735 205.4411       236.4968 25.06849 11.20290 28.86773 11.95255 -3.799236 
16.38195 
1 1 1 25  27  9  o 27.52798 8.145711  160.9944       161.7026 70.25907       
245.9738 230.0528       214.5896 25.47344 11.34185 29.58252 11.69500 -4.109077 
16.29142 
1 1 1 25  27  10 o 31.31925 8.417342  266.5139       148.0749 308.4495       
249.6388 243.7505       183.9240 32.54708 12.68032 30.09142 11.07322 2.455669 
16.83468 
1 1 1 25  27  11 f 37.18190 8.134957  410.7644       166.8130 112.4912       
258.9719 622.2821       218.0815 26.97588 11.86032 47.38792 11.13746 -20.41204 
16.26991 
1 1 1 25  27  12 o 19.13004 6.522930  -215.4111      156.6956 -239.2955      
218.7381 -190.2339      224.5793 18.60702 9.011632 19.65305 9.433184 -1.046028 
13.04586 
1 1 1 25  27  13 o 23.49979 7.295992  -64.45966      155.4958 229.4395       
223.5504 -339.9367      216.4308 29.82715 11.89084 17.17242 8.457771 12.65474 
14.59198 
1 1 1 25  27  14 o 25.64835 8.052406  35.99718       177.6113 -105.0481      
240.1701 206.2375       263.8584 21.75107 10.21575 29.54564 12.45004 -7.794561 
16.10481 
1 1 1 25  27  15 o 24.01599 7.787120  -35.10686      186.5573 108.3657       
233.5300 -288.1579      310.1432 26.20872 11.39318 21.82325 10.61849 4.385471 
15.57424 
1 1 1 25  27  16 o 24.11741 7.836027  -13.31390      177.2106 -60.97186      
229.2086 57.50590       279.4091 22.08179 10.26019 26.15302 11.84660 -4.071230 
15.67205 
1 1 1 25  27  17 o 33.70856 8.678389  331.0798       158.2986 277.2071       
208.7517 403.9767       242.8289 31.35787 11.74822 36.05924 12.77643 -4.701365 
17.35678 
1 1 1 25  27  18 o 25.56358 8.046715  72.30668       177.1093 -16.97502      
263.8845 145.4909       238.9138 24.04066 11.10822 27.08649 11.64500 -3.045826 
16.09343 
1 1 1 25  27  19 o 33.72507 8.446166  303.5166       126.7945 423.6176       
300.6194 277.5277       139.8419 35.34822 13.88398 32.10191 9.622167 3.246315 
16.89233 
1 1 1 25  27  20 o 27.21976 8.105873  159.5168       133.9978 206.5674       
308.9049 148.6114       148.7184 29.33762 12.92526 25.10190 9.785617 4.235725 
16.21175 
1 1 1 25  27  21 o 27.75271 7.682227  209.3526       137.9741 -82.27533      
320.4059 275.7419       152.8744 24.15280 11.51407 31.35262 10.17313 -7.199821 
15.36445 
1 1 1 25  27  22 o 21.80492 7.166442  19.22177       108.5817 8.672009       
327.3639 20.52587       115.0974 25.36008 11.91535 18.24976 7.965933 7.110325 
14.33288 
1 1 1 25  27  23 o 19.56511 8.267457  54.60124       116.8876 0.000000       
0.000000 54.60124       116.8876 ?        ?        19.56511 8.267457 ? ? 
1 1 1 25  27  24 o 23.90956 7.004935  129.3757       102.2109 148.8499       
219.4025 123.9778       115.5111 25.26125 11.01260 22.55788 8.660196 2.703363 
14.00987 
1 1 1 25  27  25 o 23.25266 7.040897  104.1016       104.1308 217.8840       
223.1835 72.44027       117.7306 26.61513 11.34222 19.89018 8.345716 6.724955 
14.08179 
1 1 1 25  27  26 o 20.49354 6.620972  22.34628       104.1756 156.0787       
226.2132 -13.64936      117.3612 24.42624 10.87612 16.56084 7.553743 7.865393 
13.24194 
1 1 1 25  27  27 o 18.79987 6.296165  -37.17309      104.9100 84.76427       
229.9103 -69.23930      117.9000 22.61441 10.41841 14.98533 7.072734 7.629079 
12.59233 
1 1 1 25  28  1  o 21.23641 6.704782  37.99397       132.1296 -140.6368      
196.7063 184.8532       178.3572 17.62923 8.539613 24.84359 10.33883 -7.214355 
13.40956 
1 1 1 25  28  2  o 27.49784 7.857037  237.7986       145.2798 124.2947       
200.5676 363.0862       210.7217 23.49053 10.37350 31.50516 11.80350 -8.014629 
15.71407 
1 1 1 25  28  3  o 19.30133 6.368310  -36.41140      127.3816 -15.64569      
184.3387 -55.38924      176.2247 19.90460 9.230355 18.69807 8.776220 1.206530 
12.73662 
1 1 1 25  28  4  f 25.48106 7.527606  123.1965       133.4224 315.3933       
221.2549 13.36810       167.2542 30.73652 11.94534 20.22559 9.163420 10.51093 
15.05521 
1 1 1 25  28  5  o 17.09291 5.866102  -198.0442      132.6833 -335.7000      
213.1590 -110.9709      169.5309 16.53435 8.192004 17.65147 8.398551 -1.117123 
11.73220 
1 1 1 25  28  6  o 21.64363 6.972890  7.010569       137.6141 22.74383       
217.2021 -3.540421      177.8694 22.69329 10.33077 20.59397 9.368025 2.099323 
13.94578 
1 1 1 25  28  7  o 26.46922 7.591578  154.4770       147.8353 -68.57285      
244.3867 283.2034       185.6566 21.93405 10.30257 31.00439 11.15281 -9.070341 
15.18316 
1 1 1 25  28  8  o 21.46877 6.609163  -65.85540      138.3569 -501.0010      
226.9769 191.4300       174.5307 15.75123 7.896657 27.18632 10.60033 -11.43508 
13.21833 
1 1 1 25  28  9  o 23.00020 7.518896  -46.83783      174.9818 93.63995       
248.3958 -185.2220      246.5379 25.65321 11.41041 20.34719 9.794782 5.306015 
15.03779 
1 1 1 25  28  10 f 24.58569 7.626368  72.67900       149.3562 161.4183       
232.0984 9.960958       195.1239 27.17586 11.57340 21.99552 9.934903 5.180334 
15.25274 
1 1 1 25  28  11 o 25.35411 7.697931  73.56403       163.4657 -183.4630      
258.5717 244.6730       210.9735 20.95156 10.07233 29.75668 11.64392 -8.805120 
15.39586 
1 1 1 25  28  12 o 18.54449 6.384077  -245.7936      157.5609 -318.3903      
247.7258 -196.4747      204.1831 18.74808 9.203695 18.34090 8.849732 0.4071808 
12.76815 
1 1 1 25  28  13 o 25.71061 7.810464  110.7976       153.6157 188.2104       
220.3008 37.53530       214.3138 27.94420 11.55101 23.47701 10.51606 4.467196 
15.62093 
1 1 1 25  28  14 o 23.80393 7.678668  13.68935       169.9800 33.80009       
226.6099 -12.18297      257.0294 23.79465 10.72921 23.81321 10.98780 
-0.1856232E-01 15.35734 
1 1 1 25  28  15 o 31.37767 9.165674  281.5010       196.3146 359.9282       
290.5849 215.6507       266.2678 33.48433 13.47458 29.27101 12.42876 4.213320 
18.33135 
1 1 1 25  28  16 o 26.08046 8.417113  51.22563       201.0510 -19.96188      
260.7878 155.5256       315.6657 23.71623 10.99057 28.44469 12.75141 -4.728458 
16.83423 
1 1 1 25  28  17 o 37.27182 8.122296  406.5364       125.5537 412.3646       
302.7833 405.3261       137.9751 34.73100 13.84083 39.81265 8.504017 -5.081654 
16.24459 
1 1 1 25  28  18 o 26.80853 8.590018  100.2592       196.6298 159.7124       
352.1892 73.33473       237.0078 28.79569 13.12115 24.82136 11.09004 3.974329 
17.18004 
1 1 1 25  28  19 o 22.57292 7.311081  25.93959       123.9810 43.42619       
299.1326 22.31261       136.2333 25.59400 11.82629 19.55184 8.599209 6.042160 
14.62216 
1 1 1 25  28  20 o 25.30355 7.739377  124.9435       127.4571 122.1933       
307.6625 125.5133       140.0394 26.98581 12.28766 23.62128 9.413035 3.364527 
15.47875 
1 1 1 25  28  21 o 21.27932 6.995181  -2.976009      116.0676 52.68282       
279.9752 -14.52689      127.5440 24.85957 11.46953 17.69907 8.011250 7.160498 
13.99036 
1 1 1 25  28  22 o 35.29881 7.851038  342.3665       110.5093 491.8904       
258.1301 308.8114       122.2821 36.66048 13.15433 33.93713 8.574307 2.723347 
15.70208 
1 1 1 25  28  23 o 17.26241 5.781656  -61.28161      101.4197 -201.3665      
215.6667 -21.50637      114.9196 18.05780 8.800122 16.46701 7.501203 1.590792 
11.56331 
1 1 1 25  28  24 o 22.16150 6.657059  108.3405       103.1277 18.83177       
222.6021 132.8020       116.3693 21.66390 10.08343 22.65909 8.694258 
-0.9951897     13.31412 
1 1 1 25  28  25 o 18.15341 6.056084  -30.87962      102.8234 -28.66789      
217.9790 -31.51261      116.6126 20.32658 9.601096 15.98023 7.384006 4.346344 
12.11217 
1 1 1 25  28  26 o 21.23507 6.697287  75.38277       105.0706 118.7025       
223.9349 63.15370       118.9805 23.26206 10.56291 19.20808 8.236476 4.053982 
13.39457 
1 1 1 25  29  3  o 16.20128 5.578538  -151.6041      118.0574 -187.6358      
196.4409 -131.2323      147.7080 16.93777 8.282709 15.46479 7.475098 1.472974 
11.15708 
1 1 1 25  29  4  o 21.96847 7.002922  76.90028       132.2968 52.62603       
232.2355 88.56232       160.9694 22.35537 10.36436 21.58157 9.420392 0.7737980 
14.00584 
1 1 1 25  29  5  f 24.52098 7.178039  100.7883       142.1418 -165.7690      
210.2347 325.2413       192.9176 18.13577 8.798514 30.90620 11.34386 -12.77043 
14.35608 
1 1 1 25  29  6  o 26.64851 7.612240  200.6118       138.6550 89.59190       
208.8891 288.0526       185.3840 23.32942 10.41775 29.96761 11.10204 -6.638186 
15.22448 
1 1 1 25  29  7  o 21.91393 6.897904  40.71807       131.0030 131.3891       
184.9392 -50.59705      185.5949 24.31842 10.34294 19.50944 9.129506 4.808977 
13.79581 
1 1 1 25  29  8  o 19.42446 6.337574  -32.72987      120.8887 -46.52339      
167.7545 -17.82835      174.3619 18.92947 8.788600 19.91945 9.133450 
-0.9899788     12.67515 
1 1 1 25  29  9  o 27.86583 7.582135  218.1820       125.3423 223.6884       
177.9304 212.7577       176.5987 28.09665 10.75940 27.63501 10.68599 0.4616413 
15.16427 
1 1 1 25  29  10 o 32.47472 7.083616  311.0231       113.8578 192.9993       
179.4710 390.5199       147.2937 26.98209 10.68634 37.96735 9.301220 -10.98527 
14.16723 
1 1 1 25  29  11 o 23.23370 7.487599  14.09251       158.4060 117.4602       
248.9367 -56.24260      205.3443 25.84772 11.46727 20.61969 9.631104 5.228025 
14.97520 
1 1 1 25  29  12 o 18.84520 6.417432  -197.9603      151.5081 -79.53345      
220.7981 -303.3384      208.2791 20.83129 9.786966 16.85910 8.303555 3.972191 
12.83486 
1 1 1 25  29  13 o 30.82942 8.929364  291.1600       189.6263 189.8885       
294.9569 362.5046       247.5685 28.37227 12.54804 33.28658 12.70751 -4.914303 
17.85873 
1 1 1 25  29  14 o 19.35973 6.660968  -179.9273      124.3685 40.50014       
276.5411 -235.8134      139.2447 24.93528 11.46222 13.78419 6.789072 11.15109 
13.32194 
1 1 1 25  29  15 o 24.09317 7.553295  88.91115       137.7647 -101.9664      
336.0848 127.4610       151.0369 24.16918 11.58606 24.01715 9.693933 0.1520252 
15.10659 
1 1 1 25  29  16 o 23.58149 7.341027  84.79837       129.2233 -30.27501      
291.3599 112.9772       144.1796 23.96493 11.25487 23.19805 9.428181 0.7668877 
14.68205 
1 1 1 25  29  17 o 28.86100 8.303461  218.9919       133.7434 256.2167       
343.0575 212.3201       145.2351 29.89080 13.34907 27.83120 9.878873 2.059603 
16.60692 
1 1 1 25  29  18 o 25.92667 7.595559  165.0278       126.1466 15.64875       
316.9526 193.1434       137.5066 25.08208 11.77215 26.77127 9.601385 -1.689190 
15.19112 
1 1 1 25  29  19 o 18.73055 6.298656  -96.03588      130.2044 -428.4547      
283.3300 -7.038454      146.6015 18.54839 9.229908 18.91270 8.573277 
-0.3643169     12.59731 
1 1 1 25  29  20 o 23.87849 7.376548  59.85637       112.0681 288.6969       
254.7175 4.925661       124.7958 29.72503 12.36188 18.03195 8.052196 11.69308 
14.75310 
1 1 1 25  29  21 f 26.03150 7.365627  179.6823       113.4471 223.6143       
215.6549 162.8728       133.3969 27.37110 11.37822 24.69190 9.356596 2.679192 
14.73125 
1 1 1 25  29  22 o 26.33698 7.625454  135.5156       112.6603 416.3820       
247.6303 62.20752       126.5114 32.83343 12.66260 19.84054 8.499923 12.99289 
15.25091 
1 1 1 25  29  23 o 23.16288 6.533713  143.7444       99.53258 -11.53759      
217.0227 185.1064       112.0070 20.75891 9.742743 25.56684 8.708420 -4.807934 
13.06743 
1 1 1 25  29  24 o 17.79687 5.827647  -14.66947      100.8151 -221.8692      
215.1215 43.64420       114.1233 17.27704 8.510472 18.31669 7.963525 -1.039646 
11.65529 
1 1 1 25  29  25 o 20.63733 6.690764  5.345467       105.9761 219.6170       
228.4405 -53.41460      119.6278 25.79407 11.24109 15.48060 7.259699 10.31347 
13.38153 
1 1 1 25  30  5  f 20.13633 6.446265  36.13333       120.2066 95.51283       
155.8096 -51.17803      188.9346 21.44841 9.314720 18.82425 8.913660 2.624163 
12.89253 
1 1 1 25  30  6  o 24.09925 7.085135  160.8573       121.6351 212.9600       
162.0493 93.62016       184.0863 26.07771 10.20478 22.12079 9.831530 3.956917 
14.17027 
1 1 1 25  30  7  o 18.03961 6.006973  -69.21407      120.7320 8.145967       
162.2506 -165.1893      180.7206 19.36086 8.849378 16.71836 8.125481 2.642492 
12.01395 
1 1 1 25  30  8  o 21.04116 6.661169  51.78667       120.8896 25.86224       
166.2361 80.88529       176.1192 20.11335 9.122841 21.96898 9.708680 -1.855621 
13.32234 
1 1 1 25  30  9  o 33.58710 7.839159  364.2772       130.7094 285.2073       
180.1777 452.1179       189.9079 29.75152 10.95873 37.42269 11.21231 -7.671171 
15.67832 
1 1 1 25  30  10 o 24.25214 7.039305  146.1608       113.0100 142.1745       
184.2954 148.5630       143.0638 24.42204 10.35349 24.08225 9.540047 0.3397865 
14.07861 
1 1 1 25  30  11 o 22.72292 6.653918  63.71238       100.6221 244.3352       
179.2009 -19.45850      121.6017 28.42594 10.82321 17.01990 7.743172 11.40604 
13.30784 
1 1 1 25  30  12 o 24.36557 7.219003  134.1904       118.7354 159.1140       
208.7256 122.2665       144.3705 25.57482 10.93593 23.15631 9.426635 2.418509 
14.43801 
1 1 1 25  30  13 o 22.41433 7.453768  -0.2373452     129.7946 134.6469       
333.4448 -24.32442      140.9079 26.78589 12.41868 18.04276 8.246876 8.743139 
14.90754 
1 1 1 25  30  14 o 32.00600 8.558845  265.3372       129.6718 554.2484       
298.5782 198.1769       143.9568 37.29349 14.03483 26.71852 9.799946 10.57496 
17.11769 
1 1 1 25  30  15 o 19.79385 6.922420  -158.5268      136.1037 -27.58795      
342.5095 -183.0796      148.3165 24.53728 11.74652 15.05042 7.327950 9.486858 
13.84484 
1 1 1 25  30  16 o 26.07954 7.684490  177.6545       129.1776 95.01901       
304.8562 195.7387       142.6137 25.62733 11.87879 26.53175 9.751915 
-0.9044266     15.36898 
1 1 1 25  30  17 o 23.57325 7.418093  92.70280       124.6965 112.0652       
291.3479 88.36050       137.9722 25.59409 11.76507 21.55242 9.038561 4.041677 
14.83619 
1 1 1 25  30  18 o 37.20884 7.167086  432.4327       116.6431 346.2148       
206.1022 473.0613       141.4814 32.01717 11.72767 42.40051 8.241977 -10.38334 
14.33417 
1 1 1 25  30  19 o 26.58002 7.277870  213.0479       119.2266 102.4830       
235.4240 251.1867       138.2692 24.00689 10.87436 29.15315 9.675637 -5.146261 
14.55574 
1 1 1 25  30  20 o 24.44417 7.148904  117.6430       108.5524 304.5723       
208.3227 47.96967       127.1836 29.60736 11.57359 19.28098 8.395192 10.32639 
14.29781 
1 1 1 25  30  21 o 24.97353 7.148043  172.7716       108.0287 203.8607       
211.4766 161.7945       125.6614 25.84976 11.02915 24.09730 9.095925 1.752460 
14.29609 
1 1 1 25  30  22 o 19.79519 6.484524  -2.209202      111.8095 112.5747       
215.3879 -44.55002      130.8159 23.16912 10.45296 16.42126 7.676711 6.747860 
12.96905 
1 1 1 25  30  23 o 20.34392 6.304686  72.52637       100.4833 -64.54174      
216.8848 109.9894       113.3867 19.54708 9.355136 21.14076 8.454447 -1.593683 
12.60937 
1 1 1 25  31  8  o 21.70367 6.527891  108.5388       104.2741 37.32350       
190.8681 138.8363       124.4945 20.74012 9.529095 22.66723 8.924672 -1.927103 
13.05578 
1 1 1 25  31  9  o 19.84225 6.136199  45.42969       105.8831 -152.7045      
192.8664 130.9108       126.6811 17.30578 8.405673 22.37871 8.941834 -5.072926 
12.27240 
1 1 1 25  31  10 o 21.12666 6.214487  96.88713       96.64384 -84.08585      
200.4498 151.6954       110.3118 18.78429 8.990943 23.46902 8.581511 -4.684727 
12.42897 
1 1 1 25  31  11 o 16.11526 5.455417  -79.92767      96.72768 -234.5227      
201.7250 -33.77007      110.2259 16.66748 8.209741 15.56304 7.186547 1.104436 
10.91083 
1 1 1 25  31  12 o 22.11443 6.652204  83.10793       122.4296 -134.6916      
205.7064 202.5759       152.3510 18.27316 8.830638 25.95570 9.951235 -7.682533 
13.30441 
1 1 1 25  31  13 o 31.25307 7.507390  314.0904       114.3712 327.8891       
209.6578 308.2444       136.4646 30.25631 11.65496 32.24983 9.466021 -1.993523 
15.01478 
1 1 1 25  31  14 o 23.86154 6.998942  141.5975       125.6094 -26.05454      
217.7434 225.2142       153.7754 20.61156 9.693985 27.11152 10.09789 -6.499958 
13.99788 
1 1 1 25  31  15 o 34.12181 7.669696  411.1787       133.9823 280.8879       
239.5823 470.4684       161.6171 28.23001 11.87803 40.01362 9.706152 -11.78361 
15.33939 
1 1 1 25  31  16 o 22.71441 7.139299  83.83115       118.4936 196.7074       
240.1383 47.50239       136.2340 25.87624 11.39864 19.55258 8.599383 6.323654 
14.27860 
1 1 1 25  31  17 f 21.53902 6.738016  82.22075       112.8281 22.29358       
229.9362 101.2261       129.4891 21.75925 10.17430 21.31879 8.836690 0.4404621 
13.47603 
1 1 1 25  31  18 o 24.99113 7.340599  179.7662       121.4083 174.6842       
233.2690 181.6542       142.1838 25.04814 11.10806 24.93411 9.599406 0.1140308 
14.68120 
1 1 1 25  31  19 f 37.99576 6.823180  485.7083       117.8577 309.8110       
215.2110 561.0596       140.8576 29.01112 11.62855 46.98039 7.141423 -17.96927 
13.64636 
1 1 1 25  31  20 o 20.15592 6.476041  44.86289       113.1936 -70.26273      
238.4984 78.33519       128.6004 20.14940 9.683470 20.16243 8.601562 
-0.1303101E-01 12.95208 
1 1 1 25  31  21 o 24.46741 7.232111  161.3682       116.0076 251.9236       
209.6255 121.3922       139.2794 26.87105 11.19718 22.06377 9.156251 4.807280 
14.46422 
1 1 1 25  32  12 o 24.72470 7.053363  172.7913       121.6364 48.51392       
178.9851 279.4449       165.8092 20.65567 9.396428 28.79374 10.52173 -8.138071 
14.10673 
1 1 1 25  32  13 f 23.97896 7.075377  138.5666       122.2014 280.7884       
186.0528 30.66218       162.0589 28.27809 10.96134 19.67983 8.949463 8.598259 
14.15075 
1 1 1 25  32  14 o 29.75146 7.807709  307.6752       128.2819 358.6861       
199.2261 271.5463       167.6649 31.11288 11.51251 28.39003 10.55004 2.722858 
15.61542 
1 1 1 25  32  15 o 25.44946 7.459454  204.4056       128.9871 185.8454       
224.4875 213.5533       157.6002 24.92320 10.99448 25.97573 10.08440 -1.052528 
14.91891 
1 1 1 25  32  16 o 20.96014 6.561398  71.91318       118.1034 -89.21607      
225.1475 133.0813       138.7211 19.39096 9.340769 22.52932 9.217256 -3.138355 
13.12280 
1 1 1 25  32  17 o 25.39192 7.314480  68.55818       113.6602 495.7529       
236.0524 -60.37906      129.6835 34.88609 12.57309 15.89775 7.478225 18.98834 
14.62896 
1 1 1 26  -12 0  o 25.96036 7.474665  210.3204       128.1904 196.2973       
175.9030 226.2028       187.2014 25.43493 10.38818 26.48579 10.75026 -1.050865 
14.94933 
1 1 1 26  -12 1  o 20.03326 6.049902  5.679043       105.3356 -203.8557      
152.8475 195.2082       145.3679 14.60632 7.189389 25.46020 9.732314 -10.85388 
12.09980 
1 1 1 26  -12 2  o 16.79466 5.825007  -188.6655      133.5974 -210.8551      
170.8802 -153.7770      214.2682 15.43932 7.600132 18.15000 8.829543 -2.710674 
11.65001 
1 1 1 26  -12 3  o 18.16474 6.049958  -45.58588      119.4501 -4.805581      
152.9444 -109.3616      191.2652 18.44161 8.496556 17.88788 8.614900 0.5537300 
12.09992 
1 1 1 26  -12 4  o 28.60419 7.521287  289.2007       140.6251 406.6328       
174.6350 72.61127       237.1683 34.71459 10.82413 22.49379 10.44592 12.22080 
15.04257 
1 1 1 26  -11 0  o 23.10078 6.463887  26.63776       109.4772 309.0134       
170.2129 -172.5915      142.9735 31.40444 10.73527 14.79713 7.202862 16.60731 
12.92777 
1 1 1 26  -11 1  o 24.38080 7.347229  135.9855       130.9421 87.96770       
171.9903 202.1950       201.9590 22.31573 9.739229 26.44588 11.00339 -4.130150 
14.69446 
1 1 1 26  -11 2  o 31.56155 8.518033  345.3098       151.0982 316.6830       
182.3948 407.9290       269.7614 31.03866 11.06540 32.08444 12.95317 -1.045780 
17.03607 
1 1 1 26  -11 3  f 22.02522 7.088359  57.47134       139.0487 54.01262       
171.3263 64.14651       238.0113 21.05124 9.416642 22.99921 10.59746 -1.947964 
14.17672 
1 1 1 26  -11 4  o 25.14147 7.062725  149.0584       140.2178 332.4832       
172.0373 -213.9036      242.0049 31.70396 10.79265 18.57897 9.113012 13.12499 
14.12545 
1 1 1 26  -11 5  o 17.07728 5.900094  -173.4334      135.6073 -148.2226      
170.6801 -216.5906      223.3141 16.42193 7.954747 17.73263 8.715872 -1.310696 
11.80019 
1 1 1 26  -11 6  o 30.66219 7.805618  327.6009       127.4264 315.1060       
166.3310 345.3534       198.2611 30.61378 10.60048 30.71060 11.46039 
-0.9682274E-01 15.61124 
1 1 1 26  -11 7  o 16.93986 5.727042  -71.70154      101.9719 -81.82036      
120.0456 -45.48006      193.2456 14.81719 7.058208 19.06252 9.020960 -4.245332 
11.45408 
1 1 1 26  -10 0  o 32.04545 7.001199  269.5156       126.9718 512.1840       
180.0003 29.17927       179.1333 42.63462 10.18169 21.45627 9.612504 21.17836 
14.00240 
1 1 1 26  -10 1  o 27.69732 7.892897  160.3458       137.9591 47.18037       
168.9379 386.8921       239.0279 21.55594 9.519660 33.83870 12.59235 -12.28276 
15.78579 
1 1 1 26  -10 2  o 28.83813 7.797278  229.7611       132.6825 148.9289       
174.4151 340.7962       204.4192 25.01742 10.30192 32.65884 11.70729 -7.641424 
15.59456 
1 1 1 26  -10 3  o 25.62501 7.607733  161.4411       138.1601 190.2543       
170.2982 105.9606       236.3111 26.44649 10.43004 24.80354 11.07812 1.642952 
15.21547 
1 1 1 26  -10 4  f 25.00395 7.431302  149.9392       127.6015 147.9936       
155.4278 153.9616       223.4816 24.40079 9.840003 25.60711 11.13873 -1.206326 
14.86260 
1 1 1 26  -10 5  o 25.41166 7.439309  164.8626       129.3372 112.5134       
172.4612 232.1483       195.5228 23.19750 9.930684 27.62582 11.07948 -4.428324 
14.87862 
1 1 1 26  -10 6  o 33.44856 6.902361  261.0575       129.3259 -12.21535      
165.7745 685.9871       206.7179 19.19290 8.843859 47.70422 10.59984 -28.51132 
13.80472 
1 1 1 26  -10 7  o 38.14738 7.881837  469.1346       131.1643 429.7412       
165.8396 534.9415       214.3447 37.28207 10.27223 39.01270 11.95720 -1.730633 
15.76367 
1 1 1 26  -10 8  o 21.34211 6.494904  77.63149       105.0652 11.65539       
137.0111 171.8066       163.6932 18.27588 8.286174 24.40835 10.00372 -6.132473 
12.98981 
1 1 1 26  -10 9  o 19.62653 6.507040  -29.17127      138.0549 64.96618       
192.6481 -128.5492      197.9376 21.43331 9.749727 17.81976 8.620272 3.613548 
13.01408 
1 1 1 26  -9  0  o 45.64931 7.634053  596.2982       142.3493 626.6991       
181.9141 548.2820       228.6219 49.05114 9.173623 42.24749 12.20490 6.803646 
15.26811 
1 1 1 26  -9  1  o 19.66633 6.204890  -68.44258      122.3576 114.9136       
151.1434 -417.1172      208.4259 23.66435 9.641277 15.66831 7.813348 7.996037 
12.40978 
1 1 1 26  -9  2  o 23.03836 7.223189  -16.27151      135.5329 -142.3455      
167.1446 225.7688       231.5919 17.17495 8.218111 28.90176 11.88110 -11.72681 
14.44638 
1 1 1 26  -9  3  o 41.01340 8.162461  506.1548       143.3643 506.4125       
175.5484 505.6389       248.4171 43.02726 9.915002 38.99954 12.96903 4.027718 
16.32492 
1 1 1 26  -9  4  o 19.94530 6.492748  -52.64769      125.8417 -137.5903      
168.7448 53.78442       188.8878 17.26579 8.260564 22.62480 10.01929 -5.359005 
12.98550 
1 1 1 26  -9  5  o 20.67715 6.618176  -40.19719      127.0759 -171.6427      
170.0686 125.9564       191.2081 16.64975 8.043222 24.70455 10.51226 -8.054808 
13.23635 
1 1 1 26  -9  6  o 21.46967 6.749563  2.918267       124.2987 -110.9567      
163.4209 159.2221       191.4601 17.32596 8.244692 25.61337 10.68885 -8.287405 
13.49913 
1 1 1 26  -9  7  o 22.95080 6.958216  64.99548       114.7673 -12.35055      
140.0032 223.4509       200.3883 18.29076 8.317891 27.61084 11.15705 -9.320074 
13.91643 
1 1 1 26  -9  8  o 25.90100 7.719209  179.7594       146.7704 97.62066       
211.5318 256.0127       203.8127 23.50212 10.48946 28.29987 11.32766 -4.797741 
15.43842 
1 1 1 26  -9  9  o 44.19775 8.403637  645.2462       160.0614 819.8000       
245.8253 516.7786       210.8913 49.80072 11.90216 38.59479 11.86689 11.20592 
16.80727 
1 1 1 26  -9  10 o 19.96384 6.607542  -16.31478      138.4864 -65.33292      
190.7960 38.26372       201.3268 18.73722 8.912579 21.19047 9.757273 -2.453247 
13.21508 
1 1 1 26  -9  11 o 20.24965 6.680257  -5.427365      143.8392 -125.5941      
221.6233 82.03191       189.0715 18.73051 9.071340 21.76879 9.808880 -3.038286 
13.36051 
1 1 1 26  -8  0  o 28.48880 8.002865  204.7071       139.5798 212.3776       
170.7499 189.2578       242.3274 28.50964 10.63626 28.46797 11.96049 
0.4167557E-01  16.00573 
1 1 1 26  -8  1  o 27.31321 7.803130  97.10796       138.2671 -37.07359      
168.1186 377.5848       243.0624 19.72663 9.012988 34.89980 12.74054 -15.17317 
15.60626 
1 1 1 26  -8  2  o 31.63113 7.291689  284.1358       140.3876 445.4153       
170.0215 -61.41630      248.8692 40.59541 10.02281 22.66684 10.59331 17.92858 
14.58338 
1 1 1 26  -8  3  o 35.30503 7.004197  372.4999       127.0801 516.6012       
158.8373 116.2054       211.8304 45.06092 8.706779 25.54914 10.97393 19.51178 
14.00839 
1 1 1 26  -8  4  o 53.62521 6.484193  734.3860       139.8257 717.7041       
181.2196 758.9285       219.8064 54.20945 7.962533 53.04098 10.23607 1.168476 
12.96839 
1 1 1 26  -8  5  o 24.61190 7.341675  104.1818       129.0606 48.53647       
169.1054 181.8085       199.7326 21.99085 9.626774 27.23295 11.08720 -5.242094 
14.68335 
1 1 1 26  -8  6  o 20.84531 6.675597  -0.9534071E-01 124.2234 1.114040       
161.8033 -1.831573      193.8696 20.17813 9.084076 21.51250 9.784371 -1.334370 
13.35119 
1 1 1 26  -8  7  o 23.74907 7.399814  78.03164       143.1908 88.07687       
208.2811 69.02872       197.1795 24.17204 10.63194 23.32610 10.29518 0.8459396 
14.79963 
1 1 1 26  -8  8  o 25.33694 7.644034  120.7095       146.4946 242.0133       
216.7010 18.61551       198.8035 28.79543 11.61608 21.87845 9.939404 6.916977 
15.28807 
1 1 1 26  -8  9  o 30.96166 8.458851  315.4118       156.2639 300.5961       
238.6295 326.5346       206.7616 30.23976 12.19340 31.68356 11.72731 -1.443802 
16.91770 
1 1 1 26  -8  10 o 19.92280 6.662198  -76.93179      150.5080 -194.0341      
230.5212 10.07735       198.7058 18.74299 9.127605 21.10260 9.707025 -2.359610 
13.32440 
1 1 1 26  -8  11 o 31.05875 8.395255  355.4196       155.5130 305.1264       
238.2229 392.7687       205.2905 28.97896 11.99719 33.13854 11.74686 -4.159576 
16.79051 
1 1 1 26  -8  12 o 24.20291 7.302887  143.4158       131.1281 56.02974       
170.9471 268.3344       204.3875 20.73801 9.336617 27.66781 11.23193 -6.929806 
14.60577 
1 1 1 26  -8  13 o 22.65192 7.415083  81.19997       166.8571 71.34203       
260.3221 88.07409       217.3833 22.84041 10.71078 22.46344 10.25734 0.3769760 
14.83017 
1 1 1 26  -7  0  o 29.99805 7.948262  240.1894       138.0133 286.1200       
167.0480 141.4160       244.9683 32.45128 10.63500 27.54483 11.81508 4.906452 
15.89652 
1 1 1 26  -7  1  o 25.58901 7.450981  120.9477       136.1837 201.1788       
166.1417 -43.34025      237.7443 28.25773 10.50178 22.92029 10.57265 5.337435 
14.90196 
1 1 1 26  -7  2  o 26.17461 7.271725  152.7017       123.1066 218.7116       
148.9623 10.48981       218.6451 29.01948 10.03337 23.32974 10.52822 5.689734 
14.54345 
1 1 1 26  -7  3  o 68.65748 5.272183  1117.056       149.9107 1122.369       
197.6425 1109.858       230.0375 69.53518 6.770127 67.77978 8.083875 1.755402 
10.54437 
1 1 1 26  -7  4  o 48.35151 6.960940  642.6986       137.2738 816.9401       
183.6789 422.2438       206.6062 58.66062 7.458196 38.04239 11.75560 20.61823 
13.92188 
1 1 1 26  -7  5  o 32.41807 7.909210  292.2937       129.3596 262.8963       
169.0077 333.8784       201.0105 30.95372 10.68859 33.88243 11.66089 -2.928709 
15.81842 
1 1 1 26  -7  6  o 24.22205 6.965313  104.4198       116.6099 7.238444       
168.2138 194.3273       161.7960 20.87967 9.335543 27.56442 10.33973 -6.684752 
13.93063 
1 1 1 26  -7  7  o 26.94090 7.787142  162.5844       143.9229 73.10221       
208.0067 244.7695       199.3450 24.15902 10.62558 29.72277 11.38663 -5.563753 
15.57428 
1 1 1 26  -7  8  o 24.21198 7.510635  81.24681       146.6602 62.09741       
220.1219 96.53341       196.6714 24.08375 10.72602 24.34021 10.51623 
-0.2564564     15.02127 
1 1 1 26  -7  9  o 23.23911 6.770568  -50.86756      138.4775 294.7934       
189.4316 -447.5806      202.9390 31.46790 11.27098 15.01031 7.505157 16.45758 
13.54114 
1 1 1 26  -7  10 f 19.14668 6.419671  -95.13889      130.3895 -62.35968      
224.0684 -111.9222      160.3319 21.09251 9.899369 17.20086 8.176256 3.891649 
12.83934 
1 1 1 26  -7  11 o 20.84542 6.895594  -41.48520      151.1132 -99.62361      
228.2410 3.889344       201.6360 20.32585 9.696404 21.36500 9.806968 -1.039154 
13.79119 
1 1 1 26  -7  12 o 19.53339 6.549055  -103.7538      146.3249 42.76055       
213.0381 -234.6032      201.3275 22.16664 10.13533 16.90014 8.296715 5.266491 
13.09811 
1 1 1 26  -7  13 o 17.07889 5.890546  -231.6218      137.6054 -438.4157      
191.5636 -11.16080      197.7926 14.01494 7.067885 20.14284 9.425452 -6.127906 
11.78109 
1 1 1 26  -7  14 o 22.33060 7.318708  21.43800       159.2864 244.5181       
256.5528 -118.4982      203.1942 26.46348 11.70341 18.19772 8.791140 8.265766 
14.63742 
1 1 1 26  -6  0  o 25.33548 7.578250  67.13468       133.3979 -11.71886      
163.6486 223.2908       230.2933 20.49522 9.184657 30.17574 12.05660 -9.680517 
15.15650 
1 1 1 26  -6  1  o 34.35927 8.116428  333.6462       139.1138 371.4505       
169.7544 256.3405       242.7482 37.29158 10.43548 31.42697 12.43408 5.864609 
16.23286 
1 1 1 26  -6  2  o 29.20518 7.575698  156.7177       132.1187 -2.384112      
170.6370 394.8647       208.7652 21.10586 9.420506 37.30449 11.86671 -16.19864 
15.15140 
1 1 1 26  -6  3  o 29.67727 7.114209  205.0171       128.5587 383.6125       
168.7240 -42.18565      198.5036 37.92363 10.32254 21.43091 9.792497 16.49272 
14.22842 
1 1 1 26  -6  4  o 21.33507 6.535385  -29.22532      123.5899 147.3993       
162.2778 -273.1622      190.7094 25.93642 10.19649 16.73371 8.177810 9.202709 
13.07077 
1 1 1 26  -6  5  o 24.26120 7.125511  95.87050       113.2104 73.81574       
138.1720 140.9176       197.4706 22.02881 9.129400 26.49360 10.94284 -4.464787 
14.25102 
1 1 1 26  -6  6  o 19.98767 6.562087  -147.3571      141.7842 -377.9024      
205.8456 60.75544       195.5748 16.17665 8.023402 23.79870 10.38600 -7.622055 
13.12417 
1 1 1 26  -6  7  o 27.86939 7.976106  181.1385       145.7147 222.9563       
205.4264 138.7912       206.7231 29.33120 11.48729 26.40758 11.06866 2.923618 
15.95221 
1 1 1 26  -6  8  o 29.42745 8.105148  224.6161       145.9178 294.3771       
209.6701 159.0942       203.2000 31.99730 11.81629 26.85759 11.09725 5.139708 
16.21030 
1 1 1 26  -6  9  o 34.58036 8.406146  365.2257       157.0999 227.5189       
240.2577 468.0800       207.6400 29.39086 12.09498 39.76986 11.67753 -10.37900 
16.81229 
1 1 1 26  -6  10 o 22.76006 7.000601  46.90759       133.7601 -161.2036      
232.0661 150.4440       163.6857 20.09381 9.631261 25.42631 10.16231 -5.332508 
14.00120 
1 1 1 26  -6  11 o 52.22374 7.780689  730.3639       171.0371 1226.341       
277.6549 427.0703       217.1233 67.79926 9.754421 36.64822 12.12468 31.15104 
15.56138 
1 1 1 26  -6  12 o 20.95968 6.877872  -38.34910      145.9183 27.76461       
211.5489 -98.35149      201.5344 22.46240 10.21757 19.45696 9.209873 3.005434 
13.75574 
1 1 1 26  -6  13 o 25.06631 7.151246  142.3107       121.4828 269.5037       
179.0065 33.71393       165.4039 29.47146 10.91117 20.66116 9.247033 8.810303 
14.30249 
1 1 1 26  -6  14 o 18.85996 6.375648  -94.50497      140.4889 -60.20683      
213.6022 -120.6533      186.5057 19.91555 9.452736 17.80437 8.558114 2.111177 
12.75130 
1 1 1 26  -6  15 o 21.20649 6.750261  46.97501       128.3035 -42.74583      
174.0493 153.7587       189.8795 18.48110 8.684698 23.93189 10.33635 -5.450788 
13.50052 
1 1 1 26  -5  0  o 46.68831 7.876478  555.3016       145.2076 495.7280       
176.7252 679.1002       254.7587 44.07741 9.806480 49.29921 12.32836 -5.221798 
15.75296 
1 1 1 26  -5  1  f 55.48153 7.005562  808.2868       143.5901 871.8980       
174.2908 673.8961       253.3334 61.82473 6.714802 49.13833 12.29728 12.68640 
14.01112 
1 1 1 26  -5  2  o 33.94174 7.452372  308.8985       127.6459 421.4609       
168.8355 158.7151       195.0195 40.37202 10.00015 27.51146 11.05208 12.86056 
14.90474 
1 1 1 26  -5  3  o 33.54272 7.868352  283.2538       128.9025 204.3311       
165.4852 405.0203       205.5522 28.86164 10.51488 38.22382 11.70817 -9.362181 
15.73670 
1 1 1 26  -5  4  o 25.53994 7.037968  137.7089       108.4963 130.0281       
147.6045 146.7361       160.0202 25.00180 9.748427 26.07808 10.15382 -1.076284 
14.07594 
1 1 1 26  -5  5  o 40.73313 8.536710  470.3941       155.0213 471.8089       
244.3089 469.4406       200.5713 40.03556 12.84754 41.43069 11.24466 -1.395134 
17.07342 
1 1 1 26  -5  6  o 31.32971 8.254940  260.0928       146.2647 233.2881       
215.1412 283.1296       199.4481 30.33248 11.78103 32.32693 11.56648 -1.994450 
16.50988 
1 1 1 26  -5  7  o 30.31343 7.921751  240.9400       135.1909 279.9365       
178.8828 189.0016       206.4428 32.16378 11.00528 28.46309 11.39739 3.700689 
15.84350 
1 1 1 26  -5  8  o 32.45574 7.996799  286.6482       131.7773 321.8437       
209.8737 263.7420       169.3135 33.61089 11.88099 31.30059 10.70687 2.310303 
15.99360 
1 1 1 26  -5  9  o 22.28946 7.263129  -44.34302      152.7753 29.98740       
244.2573 -92.10811      195.8031 24.59943 11.11306 19.97949 9.354784 4.619944 
14.52626 
1 1 1 26  -5  10 o 47.32895 7.546153  612.3699       145.9648 594.5503       
197.4523 633.8419       216.7448 46.94462 10.29923 47.71328 11.03194 
-0.7686539     15.09231 
1 1 1 26  -5  11 o 24.26508 7.449468  -23.18935      152.8456 282.1932       
234.2220 -249.6877      201.7149 31.12757 12.24595 17.40258 8.486171 13.72500 
14.89894 
1 1 1 26  -5  12 o 26.79253 7.773775  152.3829       145.9145 282.4569       
210.7469 32.61528       202.2254 30.90047 11.74546 22.68458 10.18678 8.215893 
15.54755 
1 1 1 26  -5  13 f 19.67774 6.542223  -84.24384      139.6102 -157.7809      
211.9999 -27.93159      185.5171 19.02055 9.138220 20.33493 9.364597 -1.314379 
13.08445 
1 1 1 26  -5  14 f 21.73244 6.906186  13.26598       139.2078 -144.4330      
210.5555 135.7282       185.5466 18.91932 9.093827 24.54556 10.39634 -5.626249 
13.81237 
1 1 1 26  -5  15 o 20.96266 6.707850  -146.5902      142.9732 256.6335       
213.4552 -474.6893      192.5468 28.06550 11.44982 13.85982 6.991604 14.20569 
13.41570 
1 1 1 26  -5  16 o 16.30306 5.647845  -265.9996      134.5749 -494.7225      
191.6361 -43.46468      189.0261 13.48623 6.820614 19.11988 9.003990 -5.633645 
11.29569 
1 1 1 26  -5  17 o 27.79881 8.011515  277.2816       168.8130 26.45358       
280.1786 420.2361       211.5174 22.46608 10.72352 33.13155 11.90562 -10.66547 
16.02303 
1 1 1 26  -4  0  o 26.37749 7.495106  135.6647       122.8127 157.9281       
146.4663 82.94469       225.3878 26.54685 9.861471 26.20814 11.28972 0.3387108 
14.99021 
1 1 1 26  -4  1  o 84.08684 4.913914  1530.665       160.6418 1404.255       
190.8405 1837.998       297.5662 79.50899 5.717093 88.66469 7.993814 -9.155701 
9.827828 
1 1 1 26  -4  2  o 52.66808 6.246296  664.4437       131.8303 646.3836       
169.3650 692.2067       209.9897 52.80590 7.639455 52.53027 9.884512 0.2756310 
12.49259 
1 1 1 26  -4  3  o 19.38618 6.345935  -91.28914      120.7966 -132.6729      
158.6545 -34.21014      186.3270 17.42308 8.217801 21.34928 9.672192 -3.926191 
12.69187 
1 1 1 26  -4  4  o 31.72194 8.481063  246.5866       152.8925 310.3922       
239.1177 202.4601       198.8531 34.01368 12.60721 29.43020 11.34777 4.583479 
16.96213 
1 1 1 26  -4  5  o 38.08928 8.666053  405.6898       156.7032 400.6808       
242.0693 409.3030       205.5949 37.52602 12.80226 38.65254 11.68349 -1.126518 
17.33211 
1 1 1 26  -4  6  o 30.15409 7.367469  218.7410       128.1912 355.2955       
169.9560 38.53014       195.2424 36.69695 10.49775 23.61124 10.34000 13.08572 
14.73494 
1 1 1 26  -4  7  o 25.37029 7.498737  62.32133       142.3917 228.8317       
207.2026 -86.68288      196.0080 30.28906 11.60734 20.45152 9.497049 9.837545 
14.99747 
1 1 1 26  -4  8  o 30.74965 8.263227  238.5617       146.9111 295.3595       
219.8970 192.7724       197.4399 32.87021 12.10661 28.62908 11.24960 4.241137 
16.52645 
1 1 1 26  -4  9  o 45.78030 8.418909  567.2415       165.1339 812.0571       
260.7013 403.1975       213.4046 54.09621 11.80544 37.46439 12.00599 16.63182 
16.83782 
1 1 1 26  -4  10 o 27.17229 7.683995  131.7556       149.6639 -86.09199      
227.1247 298.9445       198.9718 21.64704 10.11797 32.69754 11.56727 -11.05050 
15.36799 
1 1 1 26  -4  11 o 19.37820 6.500448  -169.7032      148.4840 -350.5703      
228.4456 -37.39791      195.3852 17.61362 8.674851 21.14278 9.683505 -3.529161 
13.00090 
1 1 1 26  -4  12 o 28.65043 7.798891  199.0497       126.1625 291.9219       
218.7787 152.7781       154.4255 31.73153 11.99471 25.56934 9.970840 6.162191 
15.59778 
1 1 1 26  -4  13 o 18.82040 6.349313  -148.8708      138.1730 -90.70053      
212.0166 -191.8177      182.1733 20.45525 9.605554 17.18555 8.305927 3.269699 
12.69863 
1 1 1 26  -4  14 o 25.91978 7.594673  100.9130       145.3177 318.1027       
218.2205 -72.14117      194.7901 31.97835 12.00557 19.86122 9.304971 12.11712 
15.18935 
1 1 1 26  -4  15 o 20.48735 6.792400  -81.56873      145.4210 60.54875       
224.6951 -184.0001      190.7595 23.53408 10.64383 17.44062 8.441307 6.093460 
13.58480 
1 1 1 26  -4  16 o 25.98887 7.466831  133.6363       137.0246 -35.56251      
179.7669 368.2549       211.6861 19.37273 9.034178 32.60501 11.89109 -13.23228 
14.93366 
1 1 1 26  -4  17 o 22.54103 7.370194  55.55382       166.2657 -15.21911      
241.2640 119.5658       229.4509 21.33543 10.08857 23.74662 10.74708 -2.411190 
14.74039 
1 1 1 26  -4  18 o 23.94643 7.626514  143.5430       161.9822 111.6790       
224.4043 178.2066       234.0551 23.12321 10.51957 24.76965 11.04507 -1.646435 
15.25303 
1 1 1 26  -3  0  o 30.17427 7.673062  132.8947       133.7120 -30.21329      
166.0656 433.5665       225.4699 20.48310 9.213179 39.86544 12.27277 -19.38234 
15.34612 
1 1 1 26  -3  1  o 61.32045 4.671525  829.5375       118.9036 686.3553       
156.9486 1022.426       182.1654 55.12083 6.782076 67.52007 6.426198 -12.39924 
9.343049 
1 1 1 26  -3  2  o 36.86330 7.618243  328.6190       126.6302 222.9091       
162.0083 494.6164       203.0158 30.19440 10.46120 43.53220 11.07763 -13.33780 
15.23649 
1 1 1 26  -3  3  o 59.67751 5.524181  833.9572       135.4461 895.0468       
179.4968 753.1750       206.4101 62.92039 6.794951 56.43463 8.711770 6.485756 
11.04836 
1 1 1 26  -3  4  o 21.32973 6.999227  -155.7269      150.3643 45.81607       
233.0027 -299.5604      196.8373 25.64878 11.26354 17.01068 8.311998 8.638100 
13.99845 
1 1 1 26  -3  5  o 30.29602 8.218045  178.7200       151.2981 358.1738       
236.0170 53.52843       197.1308 36.20901 12.61870 24.38304 10.53155 11.82597 
16.43609 
1 1 1 26  -3  6  f 34.86981 8.326229  324.6199       144.7915 334.8531       
206.2805 314.6819       203.2846 35.32060 11.81805 34.41903 11.73192 0.9015770 
16.65246 
1 1 1 26  -3  7  o 33.88777 7.507265  296.7245       119.1677 345.4075       
174.3791 254.0678       163.2299 36.24803 10.71998 31.52752 10.51276 4.720512 
15.01453 
1 1 1 26  -3  8  o 23.90696 7.375079  28.24232       144.1635 -80.76862      
211.5132 122.8202       197.0140 21.45237 9.924770 26.36155 10.91174 -4.909180 
14.75016 
1 1 1 26  -3  9  o 36.47651 8.562625  376.5274       155.9385 304.7131       
232.7850 434.9865       210.0273 33.42600 12.42920 39.52701 11.78088 -6.101013 
17.12525 
1 1 1 26  -3  10 o 35.75833 7.708824  352.2314       129.3778 277.8692       
195.0693 410.6322       172.8711 32.15132 11.44528 39.36533 10.33003 -7.214012 
15.41765 
1 1 1 26  -3  11 o 26.69858 7.858425  138.6074       144.7318 140.5823       
222.3843 137.1562       190.6289 27.15014 11.43467 26.24703 10.78275 0.9031067 
15.71685 
1 1 1 26  -3  12 f 29.97855 7.690440  241.7630       126.1347 176.8982       
215.1481 275.7341       155.6996 27.94468 11.46352 32.01243 10.25472 -4.067753 
15.38088 
1 1 1 26  -3  13 o 40.71160 8.270874  476.9119       147.2505 535.1981       
228.9454 435.7902       192.3022 42.30976 12.21050 39.11344 11.15944 3.196320 
16.54175 
1 1 1 26  -3  14 o 31.40715 8.061266  283.3739       147.9924 135.4848       
226.8880 392.8878       195.2441 26.35551 11.33992 36.45879 11.46046 -10.10328 
16.12253 
1 1 1 26  -3  15 o 23.39488 7.353903  46.35678       148.5536 -52.46216      
215.8799 135.2368       204.7359 21.22674 9.899285 25.56303 10.87767 -4.336285 
14.70781 
1 1 1 26  -3  16 o 55.27760 7.612751  884.9654       170.6426 753.4847       
253.4422 993.9979       230.7947 48.81332 12.35076 61.74188 8.903629 -12.92856 
15.22550 
1 1 1 26  -3  17 o 22.27266 7.182168  40.44828       149.5796 -21.67996      
239.8155 80.00896       191.3659 21.82893 10.24433 22.71640 10.06915 
-0.8874741     14.36434 
1 1 1 26  -3  18 o 24.76078 7.972234  142.7907       180.1524 186.7630       
280.5887 111.9510       234.9830 25.79041 11.74099 23.73115 10.78773 2.059256 
15.94447 
1 1 1 26  -3  19 o 31.41688 8.283191  349.0928       164.7263 115.9364       
226.0196 613.2521       240.5777 23.25273 10.57285 39.58103 12.75382 -16.32830 
16.56638 
1 1 1 26  -2  0  o 30.24122 7.617720  212.6460       117.6821 196.7589       
145.4381 242.7728       200.2777 28.81627 9.918709 31.66616 11.56451 -2.849888 
15.23544 
1 1 1 26  -2  1  o 37.73280 7.434360  346.8140       124.2790 242.4720       
162.7227 492.8788       192.5268 31.37956 10.49642 44.08604 10.53110 -12.70648 
14.86872 
1 1 1 26  -2  2  o 55.05789 6.502505  725.4970       142.7878 725.2576       
183.3744 725.8658       227.5733 56.21642 7.769564 53.89937 10.42901 2.317047 
13.00501 
1 1 1 26  -2  3  o 39.90158 8.396886  388.8732       153.0291 610.6284       
248.2518 252.9691       194.3444 47.73850 12.31037 32.06466 11.42303 15.67384 
16.79377 
1 1 1 26  -2  4  o 33.92826 8.498205  293.3236       150.2737 285.0039       
237.3647 298.8887       194.1329 33.70587 12.54736 34.15066 11.46480 
-0.4447937     16.99641 
1 1 1 26  -2  5  o 21.97023 6.931193  -17.33753      129.7109 -50.18779      
177.2711 20.51852       190.2989 20.65961 9.385691 23.28084 10.20169 -2.621233 
13.86239 
1 1 1 26  -2  6  o 27.69934 7.579126  110.4238       139.6612 306.3379       
202.1232 -68.57441      193.2003 34.33567 11.69836 21.06302 9.639553 13.27265 
15.15825 
1 1 1 26  -2  7  f 27.63558 7.933617  141.5571       143.6793 180.6752       
210.7157 107.5657       196.4229 29.12521 11.56532 26.14595 10.86336 2.979263 
15.86723 
1 1 1 26  -2  8  o 27.52768 7.183179  45.54948       146.9529 -355.6938      
218.1160 379.0790       198.8615 17.45250 8.589655 37.60287 11.51565 -20.15038 
14.36636 
1 1 1 26  -2  9  o 23.80310 7.232966  -10.48318      148.2193 -287.7641      
230.5767 184.7807       193.4935 18.94797 9.199375 28.65823 11.16399 -9.710255 
14.46593 
1 1 1 26  -2  10 o 32.90535 8.095722  283.9163       133.4149 291.8874       
226.4194 279.6767       165.1256 33.08322 12.26678 32.72747 10.56830 0.3557472 
16.19144 
1 1 1 26  -2  11 o 30.50502 7.872622  238.5509       131.1722 238.6358       
182.0781 238.4594       189.1341 30.49254 11.03725 30.51751 11.22906 
-0.2496338E-01 15.74524 
1 1 1 26  -2  12 o 29.17914 7.354245  215.4271       125.9347 40.49717       
210.8146 312.4878       157.0328 24.02459 10.61894 34.33369 10.17732 -10.30910 
14.70849 
1 1 1 26  -2  13 o 18.83217 6.327147  -167.0820      139.6515 -316.3055      
214.2040 -56.76565      184.1743 17.40029 8.547280 20.26406 9.331407 -2.863773 
12.65429 
1 1 1 26  -2  14 o 32.40257 8.108254  285.1702       151.9100 106.6715       
220.2431 447.1479       209.8034 25.73030 11.12286 39.07483 11.80072 -13.34453 
16.21651 
1 1 1 26  -2  15 o 19.07983 6.426883  -166.9124      141.4209 -38.04279      
212.5941 -269.2040      189.4070 21.65955 9.993651 16.50011 8.083700 5.159435 
12.85377 
1 1 1 26  -2  16 o 24.13960 7.485211  81.56198       140.5253 59.87108       
176.6912 118.8984       231.8154 22.51965 9.849431 25.75956 11.27396 -3.239904 
14.97042 
1 1 1 26  -2  17 o 27.27971 8.255512  184.2088       172.4142 90.38293       
258.0790 259.8397       231.7081 25.16730 11.39353 29.39211 11.94996 -4.224810 
16.51102 
1 1 1 26  -2  18 o 26.47799 8.283121  126.4466       185.0118 376.9843       
286.9068 -51.89470      242.0641 31.53124 13.11681 21.42473 10.11878 10.10651 
16.56624 
1 1 1 26  -2  19 o 25.09712 8.083521  134.3131       185.8407 294.8194       
287.4253 19.00999       243.6124 28.14194 12.42409 22.05230 10.34482 6.089642 
16.16704 
1 1 1 26  -2  20 o 26.86667 8.087425  204.3360       175.5136 -41.19926      
243.6825 469.0226       253.0075 20.68597 9.904058 33.04737 12.78810 -12.36140 
16.17485 
1 1 1 26  -1  0  o 24.35643 7.160351  68.60303       120.4517 24.71683       
159.6639 126.5720       183.5020 21.99382 9.488541 26.71905 10.72614 -4.725233 
14.32070 
1 1 1 26  -1  1  o 27.19712 7.247456  156.0141       113.4148 186.5993       
143.9289 105.9141       184.2090 28.39685 9.858129 25.99739 10.62637 2.399462 
14.49491 
1 1 1 26  -1  2  o 39.89502 6.536630  386.8604       107.2045 381.2277       
146.2248 393.4066       157.6378 39.71961 8.978765 40.07042 9.502205 
-0.3508148     13.07326 
1 1 1 26  -1  3  o 29.98370 8.246590  171.0550       147.4619 286.8182       
236.6633 97.58930       188.5334 34.08985 12.55930 25.87755 10.69060 8.212303 
16.49318 
1 1 1 26  -1  4  o 28.84021 8.205298  118.7307       154.0429 289.3062       
244.8365 6.966224       198.1845 34.22587 12.74284 23.45456 10.34058 10.77131 
16.41060 
1 1 1 26  -1  5  o 68.90549 6.245709  1112.538       180.3557 1186.069       
255.7446 1039.788       254.3839 71.41259 8.530074 66.39840 9.125423 5.014191 
12.49142 
1 1 1 26  -1  6  o 41.34361 7.334803  443.3904       135.6467 620.4454       
187.4282 248.6530       196.5647 50.71996 9.135135 31.96725 11.47809 18.75272 
14.66961 
1 1 1 26  -1  7  o 25.16027 7.538820  62.07778       140.3873 138.4996       
202.5698 -8.548236      194.7370 27.60240 11.19123 22.71814 10.10404 4.884256 
15.07764 
1 1 1 26  -1  8  o 30.85251 8.236419  205.6476       148.1366 327.7398       
225.7670 113.3437       196.3030 35.25725 12.33642 26.44777 10.91636 8.809483 
16.47284 
1 1 1 26  -1  9  o 59.17179 6.055201  818.6050       149.5595 947.9473       
222.0268 711.1648       202.3572 63.60069 8.315045 54.74289 8.804649 8.857792 
12.11040 
1 1 1 26  -1  10 o 17.53073 6.075276  -305.6695      142.4380 -257.5894      
233.7430 -334.0699      179.6464 19.58323 9.453979 15.47822 7.632708 4.105004 
12.15055 
1 1 1 26  -1  11 o 19.84932 6.554842  -138.4460      141.3894 -342.7570      
227.1277 -9.177465      180.6636 18.02926 8.838595 21.66937 9.682099 -3.640116 
13.10968 
1 1 1 26  -1  12 o 20.59334 6.492003  -8.126912      113.2439 5.734841       
170.7350 -19.01523      151.3191 21.48767 9.519435 19.69901 8.829767 1.788668 
12.98401 
1 1 1 26  -1  13 o 32.23813 8.377397  278.1836       149.0123 320.7296       
219.3059 241.6944       203.0967 33.87079 12.12764 30.60546 11.56042 3.265327 
16.75479 
1 1 1 26  -1  14 f 27.44281 8.121349  147.1743       157.5775 96.13710       
215.8151 205.4524       230.6170 25.58894 11.03546 29.29668 11.91822 -3.707741 
16.24270 
1 1 1 26  -1  15 o 32.44722 8.323586  288.1956       144.6336 380.2848       
228.7396 226.8510       186.6919 35.52850 12.41870 29.36594 11.08621 6.162567 
16.64717 
1 1 1 26  -1  16 o 33.99355 8.708982  353.2932       161.2678 387.4601       
222.9117 315.7721       233.5976 35.52474 12.27454 32.46235 12.35804 3.062389 
17.41796 
1 1 1 26  -1  17 o 24.62820 7.770704  73.49947       163.8837 85.91616       
230.8114 60.87510       232.7338 24.91125 11.04811 24.34516 10.93044 0.5660973 
15.54141 
1 1 1 26  -1  18 o 33.37929 9.032144  382.6779       188.1852 226.6588       
287.0939 500.2124       249.1826 28.70146 12.55406 38.05711 12.98900 -9.355646 
18.06429 
1 1 1 26  -1  19 o 30.58224 8.931402  297.0050       191.0217 534.2777       
294.3386 124.3506       251.0800 36.08318 13.83243 25.08130 11.30237 11.00188 
17.86280 
1 1 1 26  -1  20 o 25.33669 8.051216  161.7134       180.2450 279.3671       
262.8875 57.33858       247.6081 27.84713 12.09649 22.82626 10.62842 5.020868 
16.10243 
1 1 1 26  -1  21 o 21.46941 7.269265  -20.65774      186.4398 19.59401       
264.2321 -60.56614      263.1028 22.07935 10.49573 20.85946 10.06024 1.219887 
14.53853 
1 1 1 26  0   0  o 35.34078 7.369198  282.4870       123.0194 148.2010       
159.6192 478.9439       193.0649 26.95984 10.22942 43.72171 10.61034 -16.76187 
14.73840 
1 1 1 26  0   1  o 59.51099 5.023636  802.2921       121.8143 1030.938       
174.5810 585.3574       170.0512 68.37730 6.081437 50.64468 7.997736 17.73262 
10.04727 
1 1 1 26  0   2  o 19.81285 6.333674  -62.03659      105.0993 -105.1562      
127.8135 27.99261       184.6847 16.09550 7.540130 23.53020 10.17881 -7.434706 
12.66735 
1 1 1 26  0   3  o 32.20745 7.988556  240.2298       147.1526 53.20963       
231.6258 366.7968       190.5474 26.36802 11.40271 38.04688 11.19135 -11.67886 
15.97711 
1 1 1 26  0   4  o 45.71874 8.008286  498.9390       155.9050 779.9042       
249.2649 318.3982       199.8124 55.91194 11.01106 35.52555 11.63130 20.38639 
16.01657 
1 1 1 26  0   5  o 51.07785 6.623001  612.3286       134.3810 658.5775       
221.1768 585.2660       169.1893 51.52388 10.58808 50.63182 7.959221 0.8920631 
13.24600 
1 1 1 26  0   6  o 23.44851 7.112670  41.36033       123.7179 5.619881       
200.6761 63.27311       157.1319 23.60102 10.40523 23.29601 9.700072 0.3050003 
14.22534 
1 1 1 26  0   7  o 37.01775 7.202705  360.6047       130.8596 128.3579       
205.4577 519.1245       169.7420 27.53981 11.23398 46.49568 9.017406 -18.95586 
14.40541 
1 1 1 26  0   8  o 44.29295 7.783601  521.2930       142.5338 425.0183       
239.4779 574.1069       177.3716 39.69860 12.71792 48.88730 8.977321 -9.188698 
15.56720 
1 1 1 26  0   9  o 80.79167 5.367899  1461.483       178.2779 1655.579       
288.6664 1341.803       226.6728 84.53917 8.133161 77.04417 7.007785 7.495003 
10.73580 
1 1 1 26  0   10 o 32.85310 7.349235  247.0746       134.7699 15.11660       
194.5894 460.9112       186.8338 23.28368 10.25826 42.42251 10.52678 -19.13883 
14.69847 
1 1 1 26  0   11 o 36.65441 8.177046  362.6266       143.4931 290.0285       
218.0223 418.1064       190.5923 33.43758 12.08017 39.87123 11.02387 -6.433647 
16.35409 
1 1 1 26  0   12 o 28.08111 7.954703  159.4692       143.1573 214.6131       
209.9010 111.5104       195.7491 30.10808 11.64846 26.05414 10.83617 4.053940 
15.90941 
1 1 1 26  0   13 o 25.56876 7.784315  67.29596       153.3211 -17.35275      
210.4871 162.9743       223.7805 22.78618 10.30390 28.35134 11.67099 -5.565155 
15.56863 
1 1 1 26  0   14 o 30.19078 7.533687  123.6839       158.2560 486.4400       
219.6439 -267.9455      228.2177 41.47990 11.95627 18.90165 9.169147 22.57825 
15.06737 
1 1 1 26  0   15 o 36.73592 8.410744  390.0851       148.3715 408.3975       
192.2124 363.0866       233.3887 38.27495 11.23430 35.19688 12.52010 3.078068 
16.82149 
1 1 1 26  0   16 f 41.60810 8.688697  526.9060       172.2578 680.2272       
236.9478 355.0433       250.8663 48.95501 11.67591 34.26119 12.87039 14.69381 
17.37739 
1 1 1 26  0   17 o 36.03778 9.763704  422.2708       203.0002 543.1904       
323.4347 343.6759       260.7565 38.81995 14.60773 33.25561 12.95893 5.564339 
19.52741 
1 1 1 26  0   18 o 25.42791 7.939485  88.21441       170.3035 191.9350       
237.9563 -20.70101      243.8426 27.91181 11.79532 22.94401 10.63071 4.967804 
15.87897 
1 1 1 26  0   19 o 21.15359 7.233161  -175.2586      190.6182 -87.14146      
293.5710 -239.4883      250.6404 22.92010 10.94895 19.38707 9.454897 3.533030 
14.46632 
1 1 1 26  0   20 o 26.86914 8.437121  197.7797       190.3959 176.6938       
277.6878 216.4870       261.5566 26.46171 11.90739 27.27658 11.95634 
-0.8148613     16.87424 
1 1 1 26  0   21 o 33.68596 8.710836  447.3093       172.9300 581.2134       
234.6423 288.1036       255.8519 39.36789 12.58653 28.00404 12.04549 11.36385 
17.42167 
1 1 1 26  0   22 o 20.80644 7.050353  -54.93930      179.6414 -204.5814      
271.8872 61.00107       239.3201 19.31304 9.512562 22.29985 10.40870 -2.986816 
14.10071 
1 1 1 26  1   0  o 88.58212 5.044472  1749.744       183.1054 1723.518       
234.4090 1790.795       293.2686 88.32914 6.321081 88.83510 7.863250 
-0.5059586     10.08894 
1 1 1 26  1   1  o 52.82574 5.696511  643.0007       118.8727 649.5381       
150.8712 632.2982       193.0403 54.10835 6.641453 51.54315 9.257001 2.565197 
11.39302 
1 1 1 26  1   2  o 30.38855 8.042221  187.9022       148.9928 25.91165       
229.9517 305.1163       195.6059 25.69385 11.23701 35.08325 11.50821 -9.389402 
16.08444 
1 1 1 26  1   3  o 49.64483 7.021809  593.0270       143.2909 432.1548       
198.5663 767.8270       206.9835 41.42440 11.16392 57.86526 8.519986 -16.44086 
14.04362 
1 1 1 26  1   4  o 30.82194 8.255868  206.0175       147.2520 164.6595       
229.3193 235.0353       192.0847 29.86154 11.98943 31.78234 11.35302 -1.920803 
16.51174 
1 1 1 26  1   5  o 21.55492 6.938229  -70.01908      138.7005 -107.6339      
202.3444 -36.68049      190.4957 21.04694 9.725757 22.06291 9.897764 -1.015972 
13.87646 
1 1 1 26  1   6  o 26.62193 7.646833  91.59303       141.0370 -35.44366      
206.4456 202.7733       193.1323 22.91868 10.29220 30.32517 11.31225 -7.406488 
15.29367 
1 1 1 26  1   7  o 20.00292 6.409753  -91.63918      123.7440 34.63361       
163.7278 -259.8593      188.9759 22.66319 9.688111 17.34265 8.395251 5.320549 
12.81951 
1 1 1 26  1   8  f 86.96223 5.501476  1681.750       196.1417 1912.496       
320.3734 1543.407       248.0668 91.07809 8.378448 82.84637 7.132080 8.231728 
11.00295 
1 1 1 26  1   9  o 19.86784 6.542571  -140.6525      138.1943 -323.7992      
221.8058 -24.45123      176.6765 18.28578 8.913599 21.44989 9.579598 -3.164118 
13.08514 
1 1 1 26  1   10 o 67.37358 5.633115  1036.578       157.7461 856.1553       
214.1763 1250.495       233.2106 60.67636 8.407617 74.07079 7.499328 -13.39443 
11.26623 
1 1 1 26  1   11 o 53.11743 6.926419  693.6813       148.6739 741.7670       
217.4619 651.4796       203.7232 54.87179 9.792052 51.36306 9.798818 3.508728 
13.85284 
1 1 1 26  1   12 o 33.04982 7.505486  206.8881       153.6429 538.9479       
215.4091 -136.9889      219.2086 45.18089 11.35928 20.91875 9.813054 24.26214 
15.01097 
1 1 1 26  1   13 o 36.61271 7.906719  299.9593       140.3448 130.6701       
175.4253 600.9713       233.9212 26.12772 10.48799 47.09770 11.83499 -20.96998 
15.81344 
1 1 1 26  1   14 o 29.02617 8.272289  177.2315       159.6611 262.4319       
217.7556 78.17495       234.7957 31.87334 11.98752 26.17900 11.40273 5.694345 
16.54458 
1 1 1 26  1   15 o 32.86663 8.655812  294.0902       159.5566 285.2128       
218.9769 304.1382       232.9666 32.49486 12.06052 33.23840 12.41919 
-0.7435455     17.31162 
1 1 1 26  1   16 o 21.13370 7.076500  -145.0126      168.1839 -141.7059      
231.2460 -148.7260      245.0495 20.88802 9.876961 21.37938 10.13672 
-0.4913597     14.15300 
1 1 1 26  1   17 o 40.04182 9.283799  519.5344       197.6512 298.6874       
300.9264 687.0911       262.1172 32.34114 13.44232 47.74250 12.80858 -15.40136 
18.56760 
1 1 1 26  1   18 o 31.42562 8.965207  281.4794       189.3990 151.6859       
280.6369 390.0474       256.6665 27.92202 12.30827 34.92923 13.03864 -7.007210 
17.93041 
1 1 1 26  1   19 o 28.92567 8.494502  112.0093       186.8806 498.5429       
288.8429 -166.2959      245.0918 37.38915 13.85662 20.46219 9.829563 16.92696 
16.98900 
1 1 1 26  1   20 o 32.60953 9.144323  368.9427       185.6440 391.7008       
273.1297 349.4010       253.0941 33.14631 13.16559 32.07274 12.69417 1.073574 
18.28865 
1 1 1 26  1   21 o 22.24187 7.286332  -26.21682      173.2379 -278.7300      
262.6568 168.2111       230.4761 18.86563 9.291327 25.61811 11.22648 -6.752474 
14.57266 
1 1 1 26  1   22 o 34.98136 8.333501  410.2022       146.3718 653.2830       
239.6467 265.5605       184.8598 41.96962 12.59951 27.99310 10.91060 13.97653 
16.66700 
1 1 1 26  2   0  o 50.42873 6.541460  621.0643       129.9299 702.2226       
168.1365 500.7547       204.7132 56.06992 7.142547 44.78755 10.96115 11.28237 
13.08292 
1 1 1 26  2   1  o 27.66037 7.078021  139.9021       120.9026 276.1873       
158.5086 -49.68925      186.9553 33.72550 10.27165 21.59523 9.740985 12.13027 
14.15604 
1 1 1 26  2   2  o 70.37576 5.934282  1124.716       175.0255 1198.508       
256.8913 1060.786       239.1110 72.49062 8.440897 68.26091 8.343506 4.229706 
11.86856 
1 1 1 26  2   3  o 57.56582 6.812745  786.4805       159.1366 838.7512       
216.1842 724.6565       235.1116 60.62560 8.493546 54.50605 10.65428 6.119545 
13.62549 
1 1 1 26  2   4  o 68.51736 5.900599  1073.543       165.5585 805.8668       
229.9605 1361.578       238.5456 58.95888 9.290201 78.07584 7.277394 -19.11695 
11.80120 
1 1 1 26  2   5  o 19.29949 6.395750  -175.0530      135.2895 -327.1873      
200.4931 -47.87124      183.3151 17.15656 8.384574 21.44242 9.660299 -4.285854 
12.79150 
1 1 1 26  2   6  o 54.34940 6.980784  716.5178       151.9683 477.8425       
213.2917 962.6030       216.5773 43.46132 11.50641 65.23749 7.907454 -21.77617 
13.96157 
1 1 1 26  2   7  o 29.62539 6.975368  122.7669       133.9425 405.8326       
183.5600 -199.5938      195.8870 40.39293 10.66535 18.85785 8.992961 21.53508 
13.95074 
1 1 1 26  2   8  o 24.45558 7.345549  -35.17171      138.5768 206.5023       
220.9646 -191.8468      177.9130 31.06813 11.96564 17.84304 8.523604 13.22509 
14.69110 
1 1 1 26  2   9  o 21.36495 6.938012  -89.32755      137.6489 -27.71470      
221.7555 -127.9467      175.5659 23.81007 10.68036 18.91984 8.858552 4.890232 
13.87602 
1 1 1 26  2   10 o 26.93708 7.387063  115.3566       127.2382 -5.696889      
177.0456 244.6688       182.9853 22.04666 9.739732 31.82751 11.10911 -9.780844 
14.77413 
1 1 1 26  2   11 f 22.66775 7.049057  4.558821       130.7834 -79.74348      
212.0968 56.27668       166.1249 21.96028 10.07096 23.37522 9.865726 -1.414942 
14.09811 
1 1 1 26  2   12 o 33.45951 8.474312  281.0341       153.8911 350.5915       
214.2000 206.8290       221.2404 36.42144 12.04278 30.49758 11.92591 5.923859 
16.94862 
1 1 1 26  2   13 o 32.08485 8.006047  210.0422       138.1751 80.13663       
173.5394 435.0333       228.3847 24.33557 10.16729 39.83412 12.36985 -15.49855 
16.01209 
1 1 1 26  2   14 o 27.41303 8.141591  118.5506       160.2286 56.38258       
225.1948 182.2920       228.0266 25.47737 11.13143 29.34868 11.88416 -3.871311 
16.28318 
1 1 1 26  2   15 o 35.34916 7.567466  286.7366       161.7086 626.4049       
220.5190 -108.3981      237.8434 48.60125 11.05378 22.09706 10.33828 26.50419 
15.13493 
1 1 1 26  2   16 o 35.81515 8.871137  360.3665       162.8968 311.3992       
211.4416 431.8696       255.5052 33.58582 11.91992 38.04448 13.14168 -4.458668 
17.74227 
1 1 1 26  2   17 o 28.35871 8.658070  95.18445       191.7991 334.3857       
298.4210 -73.16769      250.3554 33.80642 13.63399 22.91101 10.67535 10.89541 
17.31614 
1 1 1 26  2   18 o 22.89614 7.612344  -100.5193      184.9685 -3.701323      
281.8029 -173.8048      245.1751 25.01726 11.52881 20.77501 9.943719 4.242256 
15.22469 
1 1 1 26  2   19 o 41.98580 9.643962  587.6380       194.1333 597.9195       
290.0067 579.2899       261.3206 41.71795 14.01267 42.25365 13.25402 
-0.5356941     19.28792 
1 1 1 26  2   20 o 27.97070 8.255934  179.0645       176.2575 -33.21524      
271.1445 334.4103       231.9510 23.43889 10.98059 32.50251 12.33160 -9.063623 
16.51187 
1 1 1 26  2   21 o 23.98114 7.712773  64.69943       169.9256 30.39968       
264.9958 88.65209       221.4473 23.88701 11.07323 24.07526 10.73923 
-0.1882439     15.42555 
1 1 1 26  2   22 o 23.67945 7.564570  52.52799       176.2953 -234.7520      
276.1440 250.1721       229.0471 19.67094 9.676171 27.68797 11.63024 -8.017023 
15.12914 
1 1 1 26  2   23 o 24.01248 7.769754  94.10296       172.7474 304.0906       
273.0479 -46.04220      223.0648 27.91854 12.22710 20.10643 9.590325 7.812107 
15.53951 
1 1 1 26  3   0  o 29.97662 7.555655  199.1870       118.8024 184.2293       
154.8254 220.6047       185.2668 28.80363 10.20226 31.14962 11.14745 -2.345987 
15.11131 
1 1 1 26  3   1  o 24.22561 6.712570  -3.355510      104.4263 -121.8772      
126.1260 254.9863       186.2099 15.63082 7.359153 32.82040 11.22841 -17.18959 
13.42514 
1 1 1 26  3   2  o 32.58080 8.377524  242.9914       148.1211 196.6424       
238.0247 272.2833       189.2234 31.44927 12.35371 33.71232 11.31890 -2.263050 
16.75505 
1 1 1 26  3   3  o 35.16761 8.519370  281.7461       149.7109 395.7949       
240.3382 209.4327       191.3758 39.45521 12.75089 30.88002 11.30192 8.575190 
17.03874 
1 1 1 26  3   4  o 33.97948 8.070448  267.5938       143.2595 142.6585       
205.0414 386.7498       200.2429 28.57823 11.38952 39.38073 11.43711 -10.80250 
16.14090 
1 1 1 26  3   5  o 73.62013 5.648798  1229.598       173.2363 1114.520       
251.7871 1333.043       238.7211 69.94180 8.574677 77.29846 7.355988 -7.356667 
11.29760 
1 1 1 26  3   6  o 34.31007 7.493721  257.4798       140.7708 13.37833       
202.9716 483.7185       195.4040 24.24317 10.58027 44.37696 10.61515 -20.13379 
14.98744 
1 1 1 26  3   7  o 27.04877 7.909101  93.62787       144.1196 144.0489       
227.7760 59.96610       186.1104 29.27127 11.86741 24.82627 10.45849 4.445009 
15.81820 
1 1 1 26  3   8  o 27.92878 7.929492  110.9971       140.4845 225.4764       
227.0322 39.96564       178.8338 32.09645 12.19353 23.76112 10.14028 8.335325 
15.85898 
1 1 1 26  3   9  o 21.07472 6.887166  -105.0851      140.1996 -90.86610      
223.2714 -114.3415      180.1433 22.56231 10.34111 19.58713 9.099097 2.975180 
13.77433 
1 1 1 26  3   10 o 35.49796 7.753973  310.8979       128.3056 252.1427       
175.7361 377.9708       187.7637 32.30527 10.90805 38.69066 11.02319 -6.385387 
15.50795 
1 1 1 26  3   11 o 24.03198 7.465519  2.984092       148.0555 71.57818       
204.1657 -73.09725      215.0198 25.69254 10.89499 22.37143 10.20955 3.321112 
14.93104 
1 1 1 26  3   12 f 36.04568 7.893877  281.9433       155.7841 19.99904       
211.9349 589.8245       229.7681 24.41821 10.73259 47.67316 11.57863 -23.25496 
15.78775 
1 1 1 26  3   13 o 29.80069 7.730763  204.1563       126.8356 169.8652       
171.4775 245.5801       188.4695 27.96716 10.60524 31.63421 11.25112 -3.667051 
15.46153 
1 1 1 26  3   14 o 35.37654 8.728873  334.1499       159.6804 347.8547       
216.3394 317.7480       236.6724 36.04588 12.10277 34.70721 12.58157 1.338669 
17.45775 
1 1 1 26  3   15 o 29.26396 8.094603  191.9942       145.9246 138.7211       
216.0565 236.6793       197.8768 27.61471 11.42847 30.91321 11.46649 -3.298502 
16.18921 
1 1 1 26  3   16 o 28.61472 8.364399  160.3248       166.0808 230.8675       
229.3612 82.56783       240.8040 30.76023 12.11288 26.46921 11.53823 4.291023 
16.72880 
1 1 1 26  3   17 o 31.25518 9.146425  234.1507       193.4980 283.5764       
299.2250 198.6272       253.6763 32.75446 13.49168 29.75591 12.35326 2.998556 
18.29285 
1 1 1 26  3   18 o 37.05207 9.579007  432.1064       195.7610 391.7970       
292.1951 464.9347       263.6900 35.50035 13.74168 38.60378 13.34900 -3.103432 
19.15801 
1 1 1 26  3   19 o 25.78379 8.147474  74.60765       179.4845 54.31871       
271.2302 90.41382       239.3985 25.79053 11.67770 25.77706 11.36471 
0.1346588E-01  16.29495 
1 1 1 26  3   20 o 25.21642 7.763134  97.45542       155.9177 165.6025       
218.3354 26.53617       222.7321 27.04211 11.35681 23.39073 10.58715 3.651386 
15.52627 
1 1 1 26  3   21 o 25.39080 7.748988  -67.89946      169.3951 410.1563       
267.3840 -388.4096      218.9359 34.40399 13.18527 16.37761 8.144686 18.02638 
15.49798 
1 1 1 26  3   22 o 21.63810 7.218974  -48.53078      171.0564 -127.1411      
272.6203 2.514134       219.6821 21.37472 10.29197 21.90149 10.12569 
-0.5267639     14.43795 
1 1 1 26  3   23 o 21.21780 6.950572  14.95256       149.0254 -157.4149      
270.7108 89.90072       178.5083 20.24195 9.863604 22.19365 9.795466 -1.951704 
13.90114 
1 1 1 26  3   24 o 26.84525 8.355284  226.2848       184.6120 443.8279       
282.4565 64.04849       243.9231 31.21685 13.00216 22.47365 10.49700 8.743193 
16.71057 
1 1 1 26  4   0  o 18.58920 6.044488  -128.6808      115.7430 4.855152       
152.3634 -310.8849      177.9757 21.18564 9.206028 15.99275 7.835331 5.192893 
12.08898 
1 1 1 26  4   1  o 61.55694 6.354917  862.7658       161.8314 907.2906       
253.3248 832.0665       210.3487 62.48557 9.656486 60.62831 8.263907 1.857254 
12.70983 
1 1 1 26  4   2  o 63.05075 6.004712  830.6452       147.5188 1106.533       
277.1058 721.5360       174.2648 69.14911 9.545090 56.95240 7.288176 12.19671 
12.00942 
1 1 1 26  4   3  o 29.40226 8.125288  144.9446       144.0087 246.0899       
228.9843 78.76437       185.2238 33.23902 12.33376 25.56549 10.58109 7.673529 
16.25058 
1 1 1 26  4   4  o 45.17279 7.489278  511.9986       148.9208 292.1306       
220.5700 696.1852       201.8806 35.01820 12.19925 55.32738 8.691114 -20.30918 
14.97856 
1 1 1 26  4   5  o 37.21968 8.175748  339.4456       143.7084 263.9894       
203.1504 415.0267       203.3184 33.57694 11.70662 40.86242 11.41606 -7.285480 
16.35150 
1 1 1 26  4   6  o 24.80281 7.296347  37.43387       123.0363 165.0757       
206.5735 -32.74064      153.1679 29.51206 11.52724 20.09356 8.948152 9.418497 
14.59269 
1 1 1 26  4   7  o 25.13253 7.493063  57.78836       136.3026 -27.52737      
220.6824 110.4082       173.3117 24.08137 10.73189 26.18369 10.45994 -2.102324 
14.98613 
1 1 1 26  4   8  o 33.27520 8.027282  264.6798       141.7503 133.8345       
226.3730 349.0766       181.8061 28.94155 11.79655 37.60885 10.88992 -8.667303 
16.05456 
1 1 1 26  4   9  o 24.15952 7.467966  13.92648       139.6148 26.40808       
227.2619 6.360306       176.9414 25.69007 11.20375 22.62896 9.877149 3.061117 
14.93593 
1 1 1 26  4   10 o 31.42909 8.161168  205.8855       148.0794 85.58070       
206.9628 332.0680       211.9583 26.48286 11.08639 36.37531 11.97960 -9.892452 
16.32234 
1 1 1 26  4   11 o 33.21596 8.400426  254.8181       151.4354 165.9152       
208.3293 354.4246       220.5139 29.21111 11.53105 37.22080 12.21898 -8.009691 
16.80085 
1 1 1 26  4   12 o 42.77578 8.385496  477.1991       156.0878 504.5147       
216.9457 447.8844       224.7438 44.23463 11.55576 41.31693 12.15445 2.917706 
16.77099 
1 1 1 26  4   13 o 37.13843 8.638680  363.7464       158.7379 426.2165       
214.3399 287.8637       236.2319 40.25825 11.87832 34.01861 12.54642 6.239639 
17.27736 
1 1 1 26  4   14 o 24.24747 7.635886  1.031605       157.4590 39.67776       
208.5935 -50.15825      240.0709 24.66319 10.74503 23.83175 10.85225 0.8314400 
15.27177 
1 1 1 26  4   15 o 30.27626 8.178290  204.8601       146.8449 288.1643       
216.0118 133.2868       200.2257 33.41482 12.02905 27.13770 11.08331 6.277119 
16.35658 
1 1 1 26  4   16 o 33.29022 8.768886  287.8464       164.3245 246.2615       
223.3710 336.8981       242.5976 31.49245 12.05657 35.08800 12.73627 -3.595551 
17.53777 
1 1 1 26  4   17 o 27.09441 8.426683  80.94189       184.1452 121.2064       
278.7330 49.75722       245.3002 28.44963 12.40750 25.73919 11.40570 2.710442 
16.85337 
1 1 1 26  4   18 o 27.15676 8.304915  33.75005       177.1570 319.7377       
285.8150 -144.6716      225.7538 33.64395 13.43493 20.66957 9.766738 12.97438 
16.60983 
1 1 1 26  4   19 o 22.95974 7.466791  -33.04316      164.0029 -33.80827      
255.9509 -32.51022      213.6172 23.76480 10.96518 22.15467 10.13788 1.610134 
14.93358 
1 1 1 26  4   20 o 22.50364 7.224537  -13.93125      150.9668 -101.6076      
213.0517 74.48570       213.9496 20.47313 9.617257 24.53415 10.78351 -4.061022 
14.44907 
1 1 1 26  4   21 o 21.48780 7.173405  -98.54475      170.8220 -212.8035      
273.7438 -25.67730      218.6081 20.97400 10.14463 22.00160 10.14483 -1.027601 
14.34681 
1 1 1 26  4   22 o 21.23470 7.123688  -88.64483      168.7343 -95.67339      
263.7970 -83.77801      219.5126 21.92811 10.45210 20.54128 9.682007 1.386833 
14.24738 
1 1 1 26  4   23 o 22.33368 7.475216  -30.51100      186.2675 -88.31422      
271.4350 20.93715       256.0794 21.65998 10.39022 23.00738 10.74982 -1.347399 
14.95043 
1 1 1 26  4   24 o 24.88602 8.118776  149.2479       198.5013 162.6662       
279.9908 135.6883       281.4613 25.12974 11.54400 24.64231 11.41903 0.4874344 
16.23755 
1 1 1 26  5   0  o 44.42372 6.902622  460.7421       124.4216 377.3367       
162.1216 580.2659       194.0756 39.52870 9.804214 49.31874 9.719165 -9.790047 
13.80524 
1 1 1 26  5   1  o 34.86638 8.298425  294.6386       144.2656 246.4226       
227.0004 327.3081       186.8541 33.19116 12.28736 36.54160 11.15689 -3.350437 
16.59685 
1 1 1 26  5   2  o 22.21207 7.072541  -48.25213      124.7615 10.30037       
234.6699 -71.32274      147.3039 25.81116 11.31950 18.61299 8.482472 7.198175 
14.14508 
1 1 1 26  5   3  o 45.51364 7.770066  501.6673       146.5246 583.1978       
219.9263 436.5914       196.4839 48.85961 10.98834 42.16767 10.98873 6.691936 
15.54013 
1 1 1 26  5   4  o 47.62516 7.030878  536.9320       133.6558 520.8876       
171.7369 561.5772       212.8467 47.20759 8.988606 48.04274 10.81378 
-0.8351479     14.06176 
1 1 1 26  5   5  o 64.26915 5.937385  923.7701       159.4612 1032.762       
239.5800 837.0834       213.6629 67.61848 8.439296 60.91982 8.353947 6.698669 
11.87477 
1 1 1 26  5   6  o 35.55026 8.320671  304.3668       143.8594 306.4765       
217.6583 302.7303       191.7007 35.70184 12.13960 35.39868 11.38263 0.3031616 
16.64134 
1 1 1 26  5   7  o 44.27050 7.848485  455.6434       143.0707 625.6649       
236.0907 356.9691       179.8578 50.32405 11.43176 38.21695 10.75684 12.10709 
15.69697 
1 1 1 26  5   8  o 29.74507 7.727334  174.5217       132.2214 279.2711       
188.4024 72.85732       185.6074 34.13398 11.29432 25.35616 10.54917 8.777819 
15.45467 
1 1 1 26  5   9  o 27.48203 7.387697  145.2376       122.8245 9.138727       
212.8445 213.1852       150.3912 24.63846 10.79290 30.32561 10.09086 -5.687149 
14.77539 
1 1 1 26  5   10 o 22.30917 7.005660  -86.67167      134.3774 106.6051       
210.6687 -219.2524      174.4819 27.42866 11.31306 17.18968 8.266300 10.23897 
14.01132 
1 1 1 26  5   11 o 29.55345 7.896500  157.8144       137.2054 293.5474       
212.3563 60.54653       179.7659 34.64002 11.97929 24.46688 10.29153 10.17314 
15.79300 
1 1 1 26  5   12 o 25.56356 7.577780  69.89104       133.5834 34.84134       
169.4869 127.3701       217.0446 23.00294 9.845947 28.12418 11.52165 -5.121239 
15.15556 
1 1 1 26  5   13 o 36.74999 8.647425  340.1573       158.2648 252.4270       
214.8509 444.2365       234.0155 32.56943 11.96970 40.93056 12.48351 -8.361134 
17.29485 
1 1 1 26  5   14 o 26.22982 7.941865  63.31686       156.1426 4.927282       
210.4855 134.7680       232.8408 23.92389 10.58788 28.53576 11.84017 -4.611879 
15.88373 
1 1 1 26  5   15 o 37.67139 8.951989  384.6264       167.7115 413.3616       
235.4962 355.0545       238.9003 38.94345 12.62542 36.39932 12.69454 2.544136 
17.90398 
1 1 1 26  5   16 o 21.62608 7.276066  -203.1560      182.1445 -302.9307      
274.1109 -124.2672      243.7384 20.93696 10.13099 22.31520 10.44642 -1.378244 
14.55213 
1 1 1 26  5   17 o 32.29419 8.940818  263.3051       175.0282 236.7538       
281.1440 280.1084       223.6570 31.84251 13.09039 32.74586 12.18173 
-0.9033432     17.88164 
1 1 1 26  5   18 o 31.65732 8.663853  259.9597       169.2073 149.5486       
274.9942 327.2325       214.6529 28.96101 12.47292 34.35362 12.02812 -5.392612 
17.32771 
1 1 1 26  5   19 o 25.59973 7.614538  18.46347       167.8367 -389.4746      
268.8348 279.0186       214.8514 19.21419 9.463948 31.98527 11.93141 -12.77108 
15.22908 
1 1 1 26  5   20 o 21.36389 7.005139  -89.84924      154.5628 36.06446       
215.2027 -224.0015      222.1315 23.75012 10.59066 18.97765 9.172006 4.772470 
14.01028 
1 1 1 26  5   21 o 27.57638 8.274822  165.2929       170.3121 63.36197       
267.1187 235.1134       221.0765 25.63317 11.59857 29.51959 11.80525 -3.886423 
16.54964 
1 1 1 26  5   22 o 30.06702 8.870019  263.6540       186.7786 241.7651       
269.3312 283.9345       259.2469 29.46926 12.50588 30.66477 12.58221 -1.195509 
17.74004 
1 1 1 26  5   23 o 29.95601 8.782464  248.2016       195.7088 16.26027       
273.5400 491.4456       280.1256 23.83979 11.12769 36.07222 13.59048 -12.23243 
17.56493 
1 1 1 26  5   24 o 23.19275 7.725348  28.25039       194.0341 70.94096       
270.1961 -17.20829      278.8184 23.83669 11.10034 22.54881 10.74740 1.287880 
15.45070 
1 1 1 26  5   25 o 19.90803 6.918933  -214.5426      205.2287 -405.4221      
303.1800 -53.10215      278.8220 18.41421 9.207107 21.40184 10.33033 -2.987627 
13.83787 
1 1 1 26  6   0  o 41.10932 6.654854  362.0634       120.5570 175.9346       
153.9197 657.4779       193.9113 28.47241 10.16356 53.74622 8.593624 -25.27381 
13.30971 
1 1 1 26  6   1  o 23.93431 7.433722  -6.515975      142.3344 36.50021       
220.0849 -37.44294      186.6135 25.82703 11.14118 22.04159 9.844543 3.785439 
14.86744 
1 1 1 26  6   2  o 58.85577 6.365984  803.7022       144.7145 777.2913       
243.9221 818.0478       179.7706 56.87954 10.60925 60.83201 7.038946 -3.952477 
12.73197 
1 1 1 26  6   3  o 69.92305 5.991778  1105.153       175.3283 1081.676       
256.4201 1125.766       240.2704 69.00127 8.851484 70.84484 8.078171 -1.843575 
11.98356 
1 1 1 26  6   4  o 36.06235 8.200487  312.0541       141.9943 365.5886       
203.5846 261.3414       198.1464 38.56984 11.61976 33.55486 11.57468 5.014973 
16.40097 
1 1 1 26  6   5  o 28.65217 7.801260  119.8414       139.1711 271.7136       
208.8187 -1.526464      186.6733 34.16088 11.87277 23.14347 10.12304 11.01741 
15.60252 
1 1 1 26  6   6  o 34.44847 7.756428  208.5314       143.7730 520.5034       
227.3219 0.5404213      185.6119 45.76006 11.76815 23.13689 10.10740 22.62316 
15.51286 
1 1 1 26  6   7  o 33.27544 7.884963  202.3501       123.8965 428.8618       
232.2562 112.2542       146.4787 41.31009 12.40415 25.24080 9.737945 16.06928 
15.76993 
1 1 1 26  6   8  o 21.00935 6.858120  -114.5416      136.9130 -60.60903      
221.1590 -148.0552      174.3371 23.38972 10.57013 18.62898 8.741138 4.760738 
13.71624 
1 1 1 26  6   9  o 41.48764 8.075034  427.7836       150.6566 289.0085       
212.6681 567.5881       213.4554 34.78733 11.99214 48.18795 10.81727 -13.40061 
16.15007 
1 1 1 26  6   10 o 30.36395 8.275270  179.9238       152.1348 247.6940       
210.6795 106.0782       219.9201 32.87907 11.87534 27.84883 11.52808 5.030233 
16.55054 
1 1 1 26  6   11 o 44.46177 8.149067  499.0132       153.5473 517.7294       
213.1697 478.8314       221.3591 45.51485 11.21380 43.40869 11.82708 2.106163 
16.29813 
1 1 1 26  6   12 f 25.48613 7.737641  26.09242       154.4438 136.3471       
215.5854 -90.15025      221.3623 28.47681 11.54541 22.49544 10.30475 5.981375 
15.47528 
1 1 1 26  6   13 o 37.51706 8.765687  359.8242       160.1659 322.0755       
217.2936 404.7324       237.0054 35.72530 12.12943 39.30883 12.65804 -3.583530 
17.53137 
1 1 1 26  6   14 o 28.15636 7.607837  84.63564       149.2327 -179.5731      
213.5108 336.9905       208.6662 20.10528 9.499211 36.20744 11.88620 -16.10216 
15.21567 
1 1 1 26  6   15 o 27.57178 8.433807  79.08264       177.3846 105.7927       
272.4833 59.43782       233.6825 28.83811 12.41787 26.30545 11.41546 2.532658 
16.86761 
1 1 1 26  6   16 o 31.54714 8.299212  80.26741       157.3168 548.1793       
284.2848 -126.2655      188.8714 43.56216 13.84675 19.53212 9.152886 24.03004 
16.59842 
1 1 1 26  6   17 o 28.04672 8.301752  47.32551       168.3129 341.2776       
277.6842 -123.3910      211.6171 35.37557 13.47186 20.71787 9.704920 14.65771 
16.60350 
1 1 1 26  6   18 o 30.52279 8.658216  218.7852       169.7151 173.2278       
265.8606 250.1187       220.4846 29.62459 12.49091 31.42098 11.99316 -1.796387 
17.31643 
1 1 1 26  6   19 o 25.38359 7.700488  73.03479       151.4767 171.6614       
213.2970 -27.31841      215.1559 28.16070 11.45998 22.60649 10.28878 5.554211 
15.40098 
1 1 1 26  6   20 o 62.55779 7.737476  1025.580       197.2934 1182.589       
308.3083 916.6971       256.7455 66.59678 11.02689 58.51879 10.85734 8.077988 
15.47495 
1 1 1 26  6   21 o 36.25198 9.554980  423.2859       195.6858 482.7409       
284.6627 370.0172       269.4467 38.12987 13.80068 34.37410 13.21861 3.755772 
19.10996 
1 1 1 26  6   22 o 29.55119 8.835320  219.2111       193.7563 339.0818       
271.7984 95.35279       276.2823 32.74112 13.09127 26.36126 11.86887 6.379856 
17.67064 
1 1 1 26  6   23 f 28.56395 8.588621  172.8922       194.1970 416.2614       
278.4002 -57.74581      271.0205 34.27388 13.38311 22.85402 10.76801 11.41986 
17.17724 
1 1 1 26  6   24 o 24.37031 7.974481  64.33442       193.2626 36.36638       
271.0120 93.27355       275.6769 23.79272 11.09425 24.94790 11.45806 -1.155178 
15.94896 
1 1 1 26  6   25 o 29.06152 8.953473  337.4471       205.0966 384.0654       
295.3538 294.0331       285.0228 30.07368 12.93898 28.04936 12.37908 2.024317 
17.90695 
1 1 1 26  6   26 o 25.47970 8.305562  200.0455       207.0468 193.0956       
305.7693 205.9304       281.3672 25.40299 11.82152 25.55641 11.66967 
-0.1534138     16.61112 
1 1 1 26  7   0  o 27.28141 7.111041  152.1675       107.7454 169.7463       
152.9130 134.8340       151.8426 28.14574 10.12193 26.41708 9.990698 1.728661 
14.22208 
1 1 1 26  7   1  o 35.15910 7.903625  234.0801       126.5388 493.7597       
236.6664 130.1271       149.7395 44.14512 12.31141 26.17307 9.914556 17.97205 
15.80725 
1 1 1 26  7   2  o 64.27429 6.264178  957.7790       159.6218 706.7835       
223.9259 1217.073       227.5975 54.47988 10.16816 74.06871 7.319034 -19.58883 
12.52836 
1 1 1 26  7   3  o 55.64179 6.213719  725.1418       137.5620 834.7369       
185.8950 592.4855       204.5202 61.42747 7.208187 49.85611 10.12340 11.57137 
12.42744 
1 1 1 26  7   4  o 24.60201 7.364816  35.81499       133.1384 101.6547       
193.1843 -23.74613      183.7424 26.85092 10.91322 22.35311 9.892603 4.497805 
14.72963 
1 1 1 26  7   5  o 54.39901 7.406995  667.7142       163.5314 946.6196       
261.1746 487.8567       209.7330 64.16497 9.695138 44.63306 11.20083 19.53191 
14.81399 
1 1 1 26  7   6  o 27.38882 7.131524  87.79925       135.1502 -239.6987      
217.0294 295.2444       172.7293 19.66551 9.398952 35.11213 10.72820 -15.44661 
14.26305 
1 1 1 26  7   7  o 51.14683 7.552543  591.2592       153.5972 833.3278       
256.0356 455.1625       191.9795 58.96378 10.74030 43.32987 10.62119 15.63391 
15.10509 
1 1 1 26  7   8  o 38.96343 8.163329  361.4393       141.9129 460.3351       
222.5769 293.6975       184.2127 42.94323 11.92729 34.98363 11.14897 7.959606 
16.32666 
1 1 1 26  7   9  o 58.22574 6.192697  759.3414       150.2241 869.7205       
230.2906 677.5808       198.2004 61.79438 8.876634 54.65710 8.637322 7.137287 
12.38539 
1 1 1 26  7   10 o 25.47591 7.616517  14.81094       147.8436 -127.8727      
203.8328 173.2025       214.7598 20.88265 9.692447 30.06917 11.75167 -9.186516 
15.23303 
1 1 1 26  7   11 o 58.85284 6.806674  807.0232       163.9793 718.1483       
221.8579 914.0360       243.4463 54.76392 10.02248 62.94176 9.212666 -8.177849 
13.61335 
1 1 1 26  7   12 o 32.14109 8.543559  227.3412       158.1604 273.4009       
216.1844 174.2971       231.9971 33.88826 12.05029 30.39393 12.11446 3.494329 
17.08712 
1 1 1 26  7   13 o 52.87811 6.418878  651.0221       139.1555 595.2086       
187.4216 719.5886       207.7333 49.97006 9.281131 55.78616 8.869532 -5.816097 
12.83776 
1 1 1 26  7   14 o 45.37833 9.212049  553.6985       184.1534 557.8679       
245.8766 548.3716       277.9222 45.99778 12.43477 44.75889 13.59499 1.238892 
18.42410 
1 1 1 26  7   15 o 48.29553 9.582451  641.2442       199.4858 668.9512       
316.6606 623.0134       256.8636 48.30374 14.47962 48.28733 12.55525 
0.1640701E-01  19.16490 
1 1 1 26  7   16 o 29.04211 8.561408  143.1001       168.0442 162.2114       
281.3520 132.5014       209.5217 30.47695 12.84996 27.60727 11.31678 2.869684 
17.12282 
1 1 1 26  7   17 o 31.78213 8.841926  212.0724       168.7580 359.3774       
279.7603 127.8100       211.5896 36.25062 13.59658 27.31364 11.30715 8.936981 
17.68385 
1 1 1 26  7   18 o 28.87331 8.192514  178.3881       151.6099 156.9735       
215.1302 199.5179       213.6947 28.13902 11.48970 29.60760 11.68144 -1.468584 
16.38503 
1 1 1 26  7   19 o 27.40297 8.236020  122.2291       168.6305 24.49433       
263.9208 189.6564       219.2132 25.74072 11.59430 29.06522 11.70045 -3.324505 
16.47204 
1 1 1 26  7   20 o 27.40822 8.437002  107.3528       183.3620 190.0325       
263.9237 30.20830       254.9360 29.52922 12.44775 25.28722 11.39234 4.242002 
16.87400 
1 1 1 26  7   21 o 36.98718 9.590959  432.4675       198.2165 533.6844       
282.5471 334.3798       278.1455 40.48717 13.83128 33.48719 13.29066 6.999985 
19.18192 
1 1 1 26  7   22 o 25.05839 8.108674  26.57990       191.8343 60.92199       
272.6556 -7.084950      269.9538 25.76682 11.68550 24.34996 11.24506 1.416859 
16.21735 
1 1 1 26  7   23 o 28.44205 8.710036  197.7793       191.7822 162.0094       
267.9093 235.3742       274.6586 27.48345 12.07347 29.40067 12.55748 -1.917219 
17.42007 
1 1 1 26  7   24 o 21.75819 7.385789  -143.7894      198.8611 -21.18628      
277.6187 -272.9901      284.9904 23.34615 10.97017 20.17023 9.892167 3.175922 
14.77158 
1 1 1 26  7   25 o 27.45421 8.479461  173.9978       208.2035 -172.3360      
304.8326 476.8390       285.0503 21.19694 10.35436 33.71148 13.43102 -12.51455 
16.95892 
1 1 1 26  7   26 o 22.51664 7.623426  6.948887       204.9372 62.84212       
294.9914 -45.19333      284.9210 23.37594 11.10153 21.65734 10.45096 1.718594 
15.24685 
1 1 1 26  8   0  o 31.21156 7.425102  142.3697       143.7881 440.9305       
206.0854 -140.8339      200.7152 42.03039 11.39406 20.39273 9.523867 21.63766 
14.85020 
1 1 1 26  8   1  o 35.98011 8.004782  318.5019       142.2513 187.2019       
217.5274 416.6055       188.0287 30.71438 11.86332 41.24585 10.75025 -10.53146 
16.00956 
1 1 1 26  8   2  o 23.97641 7.306458  23.60921       133.4236 5.264160       
197.7787 38.93092       180.7481 23.90708 10.43872 24.04574 10.22597 
-0.1386662     14.61292 
1 1 1 26  8   3  o 48.40957 7.331523  563.1181       144.3813 544.2568       
209.0835 580.3101       199.6174 47.39463 10.75237 49.42451 9.969528 -2.029877 
14.66305 
1 1 1 26  8   4  f 25.11261 7.454586  39.12101       134.8696 134.8011       
201.3485 -38.74443      181.6394 28.41306 11.29815 21.81215 9.728057 6.600904 
14.90917 
1 1 1 26  8   5  o 33.10043 7.821354  253.7525       127.7773 230.1690       
177.7396 278.9779       183.8226 31.85940 10.96510 34.34146 11.15620 -2.482056 
15.64271 
1 1 1 26  8   6  o 32.27531 8.061634  221.4136       124.0123 260.5406       
244.6435 207.8827       143.8659 34.37150 12.74961 30.17913 9.869516 4.192368 
16.12327 
1 1 1 26  8   7  o 57.87224 6.421487  757.4678       155.2130 801.6799       
233.8876 722.6740       207.4851 59.20985 9.408800 56.53463 8.741652 2.675228 
12.84297 
1 1 1 26  8   8  o 32.32560 7.256437  233.4300       129.3623 5.377088       
201.6849 392.8295       168.6162 24.15832 10.54493 40.49289 9.971360 -16.33457 
14.51287 
1 1 1 26  8   9  o 47.97866 7.914320  562.1458       156.1710 537.3431       
211.2690 592.0253       231.8863 46.94864 10.91564 49.00868 11.46275 -2.060040 
15.82864 
1 1 1 26  8   10 o 29.95036 7.432895  71.12652       134.9833 -138.0784      
169.8765 429.4629       222.3273 18.53951 8.686432 41.36121 12.06390 -22.82170 
14.86579 
1 1 1 26  8   11 o 23.63455 7.304631  -86.97559      150.7664 -308.6288      
210.1362 148.1654       216.4352 18.07518 8.777672 29.19393 11.67831 -11.11875 
14.60926 
1 1 1 26  8   12 o 47.14373 8.307998  568.5800       164.8751 640.5430       
222.6748 481.2492       245.3012 51.15631 10.71291 43.13115 12.70137 8.025162 
16.61600 
1 1 1 26  8   13 o 37.52617 8.415770  327.6608       158.6718 158.4265       
212.3678 541.5188       238.7301 29.20748 11.60661 45.84486 12.18964 -16.63738 
16.83154 
1 1 1 26  8   14 o 32.66122 8.895066  218.4918       175.3751 348.1486       
262.9913 114.6650       235.3415 36.97534 13.27659 28.34711 11.84149 8.628237 
17.79013 
1 1 1 26  8   15 o 35.40376 8.422976  287.9236       160.7672 500.6532       
236.9506 106.4610       218.8454 43.46103 12.38340 27.34650 11.42093 16.11453 
16.84595 
1 1 1 26  8   16 o 25.95404 7.967031  45.50432       165.1554 -103.4110      
272.9225 131.5417       207.4499 24.30268 11.25507 27.60539 11.27909 -3.302708 
15.93406 
1 1 1 26  8   17 o 24.11067 7.617509  -17.69965      162.9351 -166.6720      
258.4107 80.61175       209.9228 22.36920 10.53225 25.85214 11.00806 -3.482943 
15.23502 
1 1 1 26  8   18 o 35.29552 8.833586  339.8443       164.3658 286.8514       
264.9469 372.9993       209.5681 33.48686 13.05985 37.10419 11.89828 -3.617329 
17.66717 
1 1 1 26  8   19 o 24.34011 7.756381  -101.8651      180.4106 183.0433       
259.4971 -368.4067      250.9935 29.80006 12.44049 18.88017 9.267144 10.91989 
15.51276 
1 1 1 26  8   20 o 30.94753 8.886876  200.5263       194.2414 -3.870212      
278.1833 394.9933       271.3421 25.49130 11.62779 36.40376 13.44250 -10.91246 
17.77375 
1 1 1 26  8   21 o 28.42314 8.460830  86.83392       189.9467 -180.9789      
262.8935 379.3458       274.7489 21.58193 10.32197 35.26434 13.40893 -13.68242 
16.92166 
1 1 1 26  8   22 o 38.90104 9.647961  498.0389       196.2076 545.1328       
272.8396 447.5995       282.3644 40.88311 13.59160 36.91897 13.69675 3.964142 
19.29592 
1 1 1 26  8   23 o 26.00354 7.980331  101.2191       172.0045 -74.56604      
262.3601 233.7300       227.7890 22.69962 10.66581 29.30745 11.87364 -6.607832 
15.96066 
1 1 1 26  8   24 o 24.01521 7.882448  -13.73370      196.1264 -175.9560      
284.0114 134.1438       271.1637 21.50856 10.39106 26.52186 11.85571 -5.013306 
15.76490 
1 1 1 26  8   25 o 29.49318 9.003777  287.2169       206.5650 170.7965       
288.6454 409.4287       295.7377 26.61839 12.04996 32.36797 13.38172 -5.749584 
18.00755 
1 1 1 26  8   26 o 23.00902 7.737895  -13.20625      206.4716 201.0307       
299.9283 -206.1857      284.6596 26.07562 11.96569 19.94242 9.814392 6.133204 
15.47579 
1 1 1 26  8   27 f 21.25683 10.34218  -84.18673      294.1250 -84.18673      
294.1250 0.000000       0.000000 21.25683 10.34218 ?        ?        ? ? 
1 1 1 26  9   0  o 53.84478 11.47914  720.0806       251.8134 0.000000       
0.000000 720.0806       251.8134 ?        ?        53.84478 11.47914 ? ? 
1 1 1 26  9   1  o 24.02473 7.729800  -83.30325      165.4815 -13.18176      
271.1463 -124.9239      208.8971 26.80124 11.92126 21.24823 9.842901 5.553009 
15.45960 
1 1 1 26  9   2  o 35.14280 7.902309  300.8064       139.6964 403.0139       
181.9715 154.1301       217.9927 40.70086 10.56055 29.58474 11.75844 11.11612 
15.80462 
1 1 1 26  9   3  o 56.17041 6.548933  721.8361       148.2022 548.4700       
199.8086 933.8565       220.9637 47.83265 10.24636 64.50816 8.158817 -16.67551 
13.09787 
1 1 1 26  9   4  o 25.09705 7.508280  50.66531       135.9778 39.07284       
205.0831 59.75959       181.6462 25.33468 10.83689 24.85941 10.39514 0.4752731 
15.01656 
1 1 1 26  9   5  o 34.96753 8.244396  290.6348       143.9649 224.4069       
218.9770 341.0528       191.0605 32.43594 12.05616 37.49911 11.24853 -5.063171 
16.48879 
1 1 1 26  9   6  o 61.90470 5.441543  847.4539       141.0130 793.7005       
190.7444 912.2388       209.4042 59.79463 7.598198 64.01477 7.791593 -4.220142 
10.88309 
1 1 1 26  9   7  o 52.31138 6.982699  616.6530       148.1498 872.2780       
231.5733 439.5399       192.7578 62.05633 8.888396 42.56643 10.77166 19.48989 
13.96540 
1 1 1 26  9   8  o 30.06846 7.812729  149.3036       146.2823 332.0078       
201.2616 -55.30456      212.9846 36.97166 11.63852 23.16527 10.42592 13.80639 
15.62546 
1 1 1 26  9   9  o 39.50266 8.527384  385.7523       155.3598 332.7071       
218.2253 440.2680       221.2294 36.98189 12.15541 42.02342 11.96291 -5.041531 
17.05477 
1 1 1 26  9   10 o 42.39633 8.477268  449.2652       157.7516 412.9837       
219.7442 487.8467       226.6027 40.66267 12.03628 44.13000 11.94087 -3.467327 
16.95454 
1 1 1 26  9   11 o 38.73280 8.292563  350.7755       155.9400 183.3589       
209.8949 557.0274       232.9708 30.32068 11.66533 47.14493 11.78925 -16.82425 
16.58513 
1 1 1 26  9   12 o 67.11686 6.058542  995.3167       163.4316 922.6587       
201.0061 1137.040       280.7290 64.25628 7.451002 69.97744 9.555432 -5.721161 
12.11708 
1 1 1 26  9   13 o 45.18968 8.058717  532.7076       159.7566 337.2657       
239.1791 690.1381       214.6637 36.75299 12.71303 53.62636 9.907103 -16.87337 
16.11743 
1 1 1 26  9   14 o 28.87374 8.515629  120.3990       172.6854 33.62017       
274.4482 177.2709       222.1788 27.66744 12.18672 30.08004 11.89737 -2.412605 
17.03126 
1 1 1 26  9   15 o 34.42285 8.938292  292.4381       170.8607 212.2545       
283.6241 338.1136       214.0630 32.47402 13.21501 36.37167 12.03892 -3.897652 
17.87658 
1 1 1 26  9   16 o 25.06122 7.926778  0.5003191      164.9921 -19.97976      
278.1896 11.61352       204.9249 26.23210 11.85477 23.89034 10.52614 2.341759 
15.85356 
1 1 1 26  9   17 o 28.78770 8.358764  130.9914       159.9361 252.0988       
255.2014 52.65985       205.2419 32.67165 12.80193 24.90376 10.75111 7.767889 
16.71753 
1 1 1 26  9   18 o 27.59377 8.341953  98.91004       170.2494 167.1612       
259.5832 47.39113       225.5302 29.79281 12.44034 25.39473 11.11714 4.398083 
16.68391 
1 1 1 26  9   19 o 29.60767 8.797400  164.5813       187.4755 231.5913       
260.6140 92.71622       269.8900 31.42800 12.71369 27.78734 12.16301 3.640665 
17.59480 
1 1 1 26  9   20 o 35.25981 9.066840  348.0677       171.5976 314.8228       
222.7229 396.6257       269.1741 33.82861 12.21087 36.69102 13.40616 -2.862415 
18.13368 
1 1 1 26  9   21 o 29.07741 8.533608  167.8044       168.8387 81.62749       
216.9613 300.1238       268.8428 25.30399 10.99045 32.85083 13.05756 -7.546839 
17.06722 
1 1 1 26  9   22 o 39.48666 9.183070  488.6755       177.0315 513.5872       
227.5638 450.4886       281.7468 41.65229 12.22325 37.32104 13.70793 4.331257 
18.36614 
1 1 1 26  9   23 o 31.40127 8.955323  288.8128       184.2258 332.4251       
243.4923 230.4221       281.7425 32.94947 12.59558 29.85307 12.73352 3.096395 
17.91065 
1 1 1 26  9   24 o 26.31310 8.341125  34.36890       203.0970 324.5977       
293.8098 -231.2161      281.0592 31.74624 13.24420 20.87996 10.14340 10.86628 
16.68225 
1 1 1 26  9   25 o 33.03580 9.082143  347.8983       204.4688 56.20559       
286.6577 650.0140       291.7343 24.81025 11.50724 41.26136 14.05435 -16.45112 
18.16429 
1 1 1 26  9   26 o 28.06562 8.742875  267.6321       205.5562 146.9007       
298.0020 377.2155       283.9105 25.51347 11.79475 30.61776 12.90874 -5.104294 
17.48575 
1 1 1 26  9   27 o 28.19986 8.629525  283.3167       187.9754 497.1049       
293.6356 134.8675       244.6842 32.44831 13.36524 23.95141 10.91994 8.496902 
17.25905 
1 1 1 26  10  0  o 58.06942 7.917891  829.0320       185.1417 787.0096       
289.4399 858.1324       240.8622 55.33379 12.71807 60.80505 9.435178 -5.471260 
15.83578 
1 1 1 26  10  1  o 22.54719 7.335228  -123.1645      163.7796 -320.9492      
267.6926 -4.835905      207.0546 21.08334 10.16315 24.01103 10.57983 -2.927691 
14.67046 
1 1 1 26  10  2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  10  3  o 24.79348 7.822531  -25.36034      157.3873 -17.47979      
273.9342 -29.24358      192.2937 26.94063 11.98285 22.64632 10.05879 4.294304 
15.64506 
1 1 1 26  10  4  o 69.59749 5.628850  1067.336       163.2208 1259.528       
247.5185 919.4579       217.1161 75.12112 7.848139 64.07386 8.071090 11.04726 
11.25770 
1 1 1 26  10  5  o 34.47538 7.655363  248.7705       130.5601 445.8766       
203.9784 111.9753       169.9298 42.65750 11.23353 26.29326 10.40317 16.36424 
15.31073 
1 1 1 26  10  6  o 35.89429 8.202924  306.1251       138.4690 319.5441       
223.5100 297.7669       176.3979 36.51290 12.30171 35.27567 10.85449 1.237228 
16.40585 
1 1 1 26  10  7  o 42.63719 7.621107  442.0593       136.2822 426.3863       
203.0023 454.9184       183.8780 41.70778 11.30935 43.56659 10.21879 -1.858810 
15.24221 
1 1 1 26  10  8  o 56.42455 6.986286  716.6399       158.6092 526.4034       
205.8671 994.4874       248.7960 46.65398 10.72789 66.19512 8.952377 -19.54114 
13.97257 
1 1 1 26  10  9  o 36.22542 8.272927  305.9626       147.9175 197.1880       
202.9166 429.3042       216.0770 30.87286 11.57962 41.57799 11.81853 -10.70513 
16.54585 
1 1 1 26  10  10 o 42.73003 8.058332  438.3368       153.0657 277.6520       
206.0739 636.0901       228.6111 34.34316 11.80807 51.11689 10.96888 -16.77373 
16.11666 
1 1 1 26  10  11 o 49.56850 7.933055  606.8599       161.5419 669.6017       
225.8306 541.1147       231.1724 52.65433 10.58804 46.48267 11.81638 6.171654 
15.86611 
1 1 1 26  10  12 o 32.92202 8.398242  238.3825       158.4743 358.1564       
211.4643 84.93643       239.3503 37.88631 11.93055 27.95773 11.82302 9.928583 
16.79648 
1 1 1 26  10  13 o 26.20632 7.852468  29.85829       159.3343 180.5581       
218.5933 -140.9733      232.7366 30.28206 11.85175 22.13059 10.30442 8.151474 
15.70494 
1 1 1 26  10  14 o 36.46487 8.503077  335.0732       151.8397 300.6194       
222.9373 364.8845       207.3739 34.99165 12.25740 37.93808 11.78835 -2.946430 
17.00615 
1 1 1 26  10  15 o 34.43840 8.943273  286.2276       166.7706 290.7266       
273.5284 283.5656       210.4011 34.89754 13.34707 33.97926 11.90731 0.9182777 
17.88655 
1 1 1 26  10  16 o 33.59564 8.509412  274.9458       163.6363 102.9199       
259.0031 389.2300       211.1063 28.55219 12.19469 38.63910 11.87139 -10.08691 
17.01882 
1 1 1 26  10  17 o 37.05532 9.074030  344.6257       173.7461 507.6054       
270.4099 230.0312       226.7451 42.57170 13.50185 31.53894 12.12651 11.03275 
18.14806 
1 1 1 26  10  18 o 31.79857 8.871279  208.9399       184.6205 46.44595       
260.8304 372.0895       261.3560 26.74055 11.81651 36.85658 13.23512 -10.11603 
17.74256 
1 1 1 26  10  19 o 22.76777 7.542479  -158.9312      185.0850 -1.760774      
260.2397 -319.8033      263.2864 25.37039 11.46561 20.16516 9.802843 5.205235 
15.08496 
1 1 1 26  10  20 o 32.69649 8.912185  275.8625       170.7355 327.6881       
269.5793 241.1505       220.6245 34.37667 13.22140 31.01631 11.95420 3.360361 
17.82437 
1 1 1 26  10  21 f 27.50383 8.302818  127.4520       166.6078 183.7737       
262.8791 89.64080       215.3912 29.43196 12.41571 25.57569 11.02712 3.856270 
16.60564 
1 1 1 26  10  22 o 42.10487 9.125618  525.1045       198.0271 241.9587       
270.8248 850.4210       290.2928 30.78380 12.77098 53.42593 13.03877 -22.64213 
18.25124 
1 1 1 26  10  23 o 39.01426 9.322772  474.6584       212.8225 136.0817       
304.3452 798.6488       297.7173 28.14073 12.57026 49.88779 13.77116 -21.74706 
18.64554 
1 1 1 26  10  24 o 27.94267 8.729467  164.6091       201.3546 157.0584       
294.3838 171.2472       276.0193 27.91109 12.41807 27.97425 12.27216 
-0.6315422E-01 17.45893 
1 1 1 26  10  25 o 26.58555 8.082162  136.0025       169.7128 309.1178       
245.8703 -21.53850      234.5499 30.94613 12.41884 22.22497 10.34687 8.721153 
16.16432 
1 1 1 26  10  26 o 26.44334 8.239622  187.4489       182.7441 260.9167       
236.9739 79.65649       287.0423 28.30727 11.85726 24.57941 11.44425 3.727863 
16.47924 
1 1 1 26  10  27 o 29.74306 8.887607  347.9208       199.9745 162.0119       
279.3455 543.3376       286.3998 25.01007 11.50651 34.47604 13.54838 -9.465973 
17.77521 
1 1 1 26  11  0  f 58.85907 7.812511  843.0211       184.6092 926.5878       
282.2259 780.5251       244.0655 61.15277 11.41689 56.56536 10.66752 4.587414 
15.62502 
1 1 1 26  11  1  o 28.94672 8.565169  110.2898       172.5564 120.2075       
267.9785 103.2649       225.5363 29.94104 12.57841 27.95240 11.62893 1.988642 
17.13034 
1 1 1 26  11  2  o 26.42484 8.076834  42.40543       162.3060 -30.95158      
269.8181 84.00076       203.1761 26.32995 11.79660 26.51972 11.03545 
-0.1897736     16.15367 
1 1 1 26  11  3  o 39.05901 11.35543  376.1841       197.2934 0.000000       
0.000000 376.1841       197.2934 ?        ?        39.05901 11.35543 ? ? 
1 1 1 26  11  4  o 47.91564 8.305916  599.7167       173.1736 385.8166       
282.4373 728.5726       219.2142 39.39588 13.79683 56.43541 9.252050 -17.03953 
16.61183 
1 1 1 26  11  5  o 35.54584 7.693964  274.8895       141.5424 74.62251       
195.5021 495.4994       205.1915 26.00976 10.82426 45.08192 10.93727 -19.07216 
15.38793 
1 1 1 26  11  6  o 89.66431 4.644872  1774.083       172.7588 1664.934       
260.0012 1860.366       231.1684 86.84068 7.131372 92.48793 5.953391 -5.647247 
9.289743 
1 1 1 26  11  7  o 25.59192 7.416167  37.04789       139.6519 -146.2072      
205.2291 195.0737       190.5789 20.68516 9.648760 30.49868 11.26497 -9.813526 
14.83233 
1 1 1 26  11  8  o 30.07583 7.989225  164.7819       144.8745 285.7090       
202.0370 36.79163       207.8537 34.76274 11.69587 25.38891 10.88658 9.373831 
15.97845 
1 1 1 26  11  9  o 29.56758 8.161647  160.2130       146.3925 139.0217       
200.3224 184.5010       214.4605 28.48734 11.28768 30.64782 11.79145 -2.160479 
16.32329 
1 1 1 26  11  10 o 25.56494 7.717551  21.36613       149.9973 -77.47690      
205.1400 134.9270       219.8830 22.14623 10.07051 28.98365 11.69732 -6.837420 
15.43510 
1 1 1 26  11  11 o 40.94507 8.616398  422.1028       158.6175 426.3559       
212.8818 416.7947       237.8227 41.31245 11.72691 40.57769 12.62731 0.7347565 
17.23280 
1 1 1 26  11  12 o 30.86235 8.221176  181.4467       146.4273 297.8507       
227.0760 98.59147       191.5787 35.22884 12.36779 26.49586 10.83461 8.732985 
16.44235 
1 1 1 26  11  13 o 36.70171 8.410962  344.3732       149.6215 238.4254       
264.1855 394.4035       181.5432 33.41256 13.03898 39.99086 10.62836 -6.578300 
16.82192 
1 1 1 26  11  14 o 35.24667 8.984119  272.9839       167.0984 433.9248       
277.2518 181.1743       209.4041 40.54270 13.70106 29.95063 11.62492 10.59206 
17.96824 
1 1 1 26  11  15 o 26.94747 8.118347  65.55933       167.0020 -104.2236      
277.1052 162.3981       209.2774 24.78364 11.42540 29.11129 11.53649 -4.327650 
16.23669 
1 1 1 26  11  16 o 35.19520 8.196702  304.2442       149.4267 159.6709       
212.8331 444.7814       209.8412 28.94504 11.57990 41.44535 11.60386 -12.50031 
16.39340 
1 1 1 26  11  17 o 39.23986 8.727637  417.3322       164.4792 489.5996       
217.2359 320.2480       251.7876 43.18738 11.69401 35.29234 12.95904 7.895039 
17.45527 
1 1 1 26  11  18 o 26.33809 8.039459  -7.423761      165.3909 -166.6922      
210.3036 250.7719       267.7665 19.97599 9.433475 32.70018 13.02080 -12.72418 
16.07892 
1 1 1 26  11  19 o 31.72514 8.660830  245.4158       167.0382 302.5859       
215.0121 158.3845       265.2871 33.88877 12.02087 29.56152 12.47151 4.327253 
17.32166 
1 1 1 26  11  20 o 31.84782 8.556587  253.1584       168.6115 364.2768       
218.5657 89.82323       264.9895 36.23203 12.16488 27.46361 12.03646 8.768421 
17.11317 
1 1 1 26  11  21 o 35.93086 9.474144  381.0887       191.6018 393.3638       
269.8073 368.6004       272.1394 36.38351 13.40940 35.47822 13.38752 0.9052925 
18.94829 
1 1 1 26  11  22 o 29.06291 8.619166  134.6660       191.5616 365.2058       
273.4684 -87.44064      268.4201 34.81306 13.33665 23.31276 10.92218 11.50030 
17.23833 
1 1 1 26  11  23 o 33.70439 9.387561  347.7183       200.0159 248.3797       
295.0299 432.2100       272.0909 30.80042 13.08063 36.60836 13.46857 -5.807941 
18.77512 
1 1 1 26  11  24 o 36.40691 9.865293  462.9900       211.4743 447.2098       
292.0821 480.3762       306.5843 36.01413 13.78704 36.79968 14.11431 
-0.7855492     19.73059 
1 1 1 26  11  25 o 25.02835 8.107344  3.843765       203.7948 -249.8922      
295.9686 232.6124       281.0301 21.02959 10.25925 29.02711 12.55643 -7.997513 
16.21469 
1 1 1 26  11  26 o 28.23443 8.515111  162.1539       198.8676 -146.8026      
276.0270 495.6103       286.7626 21.13040 10.21449 35.33846 13.62691 -14.20806 
17.03022 
1 1 1 26  11  27 o 30.82720 8.141870  320.1124       178.3322 591.3411       
233.9511 -56.05069      275.5152 40.04211 12.53685 21.61230 10.39171 18.42981 
16.28374 
1 1 1 26  11  28 o 27.20586 12.17755  287.0396       286.9267 287.0396       
286.9267 0.000000       0.000000 27.20586 12.17755 ?        ?        ? ? 
1 1 1 26  12  0  o 33.67339 9.149767  245.0818       174.7547 310.5154       
299.6528 211.3568       215.1262 36.11682 13.92924 31.22996 11.86799 4.886860 
18.29953 
1 1 1 26  12  1  o 36.78883 9.355767  246.7170       194.2339 602.1093       
319.3277 38.01367       244.7075 46.82107 14.64437 26.75660 11.64749 20.06447 
18.71153 
1 1 1 26  12  2  o 49.18433 8.851633  519.1885       177.8545 987.8389       
329.0628 325.7844       211.3914 62.02059 13.04909 36.34806 11.96356 25.67253 
17.70327 
1 1 1 26  12  3  f 37.79477 8.394073  362.5515       165.4727 119.7869       
268.5260 511.1750       210.1056 30.07111 12.61020 45.51844 11.08263 -15.44733 
16.78815 
1 1 1 26  12  4  o 37.87121 8.632200  351.7499       173.2160 120.8636       
266.7288 520.1355       227.7840 30.12631 12.59698 45.61611 11.80574 -15.48980 
17.26440 
1 1 1 26  12  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  12  6  o 27.16116 8.136460  -51.99785      164.5905 270.1969       
278.7332 -224.4858      203.9430 35.21286 13.47178 19.10946 9.127927 16.10340 
16.27292 
1 1 1 26  12  7  o 55.53674 6.456643  729.8153       142.4647 577.4451       
211.3340 856.7360       192.8793 48.92368 10.58820 62.14981 7.392086 -13.22613 
12.91329 
1 1 1 26  12  8  o 35.20351 8.394055  292.8177       147.2024 257.6798       
201.6398 332.9118       215.3912 33.42593 11.66215 36.98111 12.07622 -3.555180 
16.78811 
1 1 1 26  12  9  o 19.90919 6.613826  -212.3649      146.6012 -48.94798      
201.5469 -395.9657      213.6313 22.64512 10.16935 17.17326 8.459023 5.471869 
13.22765 
1 1 1 26  12  10 o 53.48715 7.243383  653.2847       157.4387 465.7151       
204.9074 923.5897       245.9821 43.47956 11.16775 63.49474 9.227559 -20.01519 
14.48677 
1 1 1 26  12  11 o 53.38034 7.638341  660.4348       167.4439 466.1404       
218.1405 939.1120       261.2502 43.14975 11.73378 63.61093 9.782410 -20.46118 
15.27668 
1 1 1 26  12  12 o 44.35016 9.146550  508.3514       179.5450 512.3129       
276.1036 505.4488       236.3387 44.15459 13.57862 44.54573 12.25800 
-0.3911438     18.29310 
1 1 1 26  12  13 o 45.31049 8.973144  535.8105       174.1609 504.7759       
294.1873 552.5561       216.0985 43.43969 14.11331 47.18129 11.08529 -3.741604 
17.94629 
1 1 1 26  12  14 o 49.00519 8.741529  633.9733       177.0315 557.5626       
296.4167 676.3408       220.7201 45.27837 14.09873 52.73200 10.33844 -7.453629 
17.48306 
1 1 1 26  12  15 o 28.46389 8.183746  124.2608       161.0711 -34.32630      
257.1385 226.6687       206.6331 25.34365 11.42831 31.58414 11.71702 -6.240490 
16.36749 
1 1 1 26  12  16 o 22.39275 7.359642  -121.5617      165.2812 -104.4340      
250.7947 -134.7121      219.7546 23.47077 10.83890 21.31474 9.958689 2.156023 
14.71928 
1 1 1 26  12  17 o 37.31052 9.274223  353.4951       188.5499 525.9869       
273.5169 197.3003       260.2754 43.43507 13.54688 31.18597 12.66993 12.24909 
18.54845 
1 1 1 26  12  18 o 30.62798 8.793212  174.8813       182.7903 306.5759       
259.3946 44.97886       257.6236 34.56660 13.06240 26.68936 11.77523 7.877245 
17.58642 
1 1 1 26  12  19 o 37.91950 9.074926  400.2863       171.2952 390.7879       
265.1370 407.0913       224.4188 37.33283 13.33803 38.50617 12.30910 -1.173340 
18.14985 
1 1 1 26  12  20 o 24.40137 7.918685  -47.28064      185.3829 -73.32261      
261.2476 -20.86722      263.1042 23.84554 11.03123 24.95722 11.36373 -1.111681 
15.83737 
1 1 1 26  12  21 o 36.70034 9.153492  360.3726       192.5276 130.9202       
264.4094 619.3152       280.8874 28.21773 12.19253 45.18295 13.65605 -16.96522 
18.30698 
1 1 1 26  12  22 f 32.05908 9.284530  274.2882       200.4147 219.8775       
301.4371 317.3954       268.3057 30.77680 13.15065 33.34137 13.10994 -2.564569 
18.56906 
1 1 1 26  12  23 o 27.57691 8.548779  84.46750       197.8233 295.5872       
288.1949 -103.6371      272.0330 32.19498 13.24748 22.95884 10.80883 9.236141 
17.09756 
1 1 1 26  12  24 o 28.08037 8.433963  169.0093       181.5449 285.5247       
241.9296 18.83429       274.6604 31.26029 12.39889 24.90045 11.43654 6.359840 
16.86793 
1 1 1 26  12  25 o 26.92237 8.565412  127.8966       203.7565 162.6530       
291.0888 94.50681       285.3086 27.68332 12.33164 26.16141 11.89100 1.521917 
17.13082 
1 1 1 26  12  26 o 19.19761 6.607438  -199.7563      166.0950 -230.0260      
271.6858 -181.6913      209.8854 20.08510 9.804043 18.31012 8.860795 1.774982 
13.21488 
1 1 1 26  12  27 o 23.43438 7.703984  63.36221       185.1106 1.680396       
277.2227 112.9926       248.6703 22.69081 10.76945 24.17795 11.01928 -1.487135 
15.40797 
1 1 1 26  12  28 o 25.66908 11.23183  211.9459       229.9784 211.9459       
229.9784 0.000000       0.000000 25.66908 11.23183 ?        ?        ? ? 
1 1 1 26  13  0  o 24.58533 7.655601  -32.22017      165.8598 -298.9549      
272.0987 125.4847       209.2229 21.38099 10.29184 27.78968 11.33626 -6.408697 
15.31120 
1 1 1 26  13  1  o 29.96743 8.073195  149.1270       163.2459 -145.5723      
263.3293 333.0797       208.0476 23.49302 10.94728 36.44183 11.86857 -12.94880 
16.14639 
1 1 1 26  13  2  o 37.72771 9.152462  357.3954       173.4333 365.8389       
271.5114 351.5755       225.4143 38.05753 13.50737 37.39788 12.35400 0.6596489 
18.30492 
1 1 1 26  13  3  o 29.66185 8.484516  137.3461       154.5756 216.5568       
272.7671 99.87436       187.6081 32.98441 13.13936 26.33930 10.73803 6.645107 
16.96903 
1 1 1 26  13  4  o 27.51244 8.067493  93.35815       156.5638 -60.61924      
267.3965 173.6824       193.1303 25.57150 11.58585 29.45339 11.22969 -3.881897 
16.13499 
1 1 1 26  13  5  o 41.13573 9.052078  370.7284       166.2684 641.0389       
300.1467 251.0544       199.7110 49.29608 13.90258 32.97538 11.59649 16.32069 
18.10416 
1 1 1 26  13  6  o 25.22430 10.72569  48.36532       198.7967 0.000000       
0.000000 48.36532       198.7967 ?        ?        25.22430 10.72569 ? ? 
1 1 1 26  13  7  o 22.92928 10.90238  -260.1654      285.2559 -260.1654      
285.2559 0.000000       0.000000 22.92928 10.90238 ?        ?        ? ? 
1 1 1 26  13  8  o 31.48529 8.012795  218.7435       140.3198 291.4625       
179.2769 103.7437       225.4493 34.81454 10.98883 28.15604 11.66470 6.658506 
16.02559 
1 1 1 26  13  9  o 43.53054 8.154799  477.6038       154.8822 581.6801       
211.9478 358.3379       226.8878 49.00766 10.60113 38.05342 12.39431 10.95424 
16.30960 
1 1 1 26  13  10 o 61.30648 6.908678  859.0107       176.2309 781.7919       
231.1422 966.2202       272.3543 58.24860 9.451806 64.36436 10.07882 -6.115765 
13.81736 
1 1 1 26  13  11 o 25.86367 7.781183  -53.08770      165.2064 222.0371       
240.2368 -299.9284      227.5532 32.50634 12.48641 19.22100 9.288525 13.28533 
15.56237 
1 1 1 26  13  12 o 46.30176 8.810845  551.0294       173.6757 535.6953       
272.2325 561.5539       225.5346 45.17439 13.40202 47.42913 11.44159 -2.254749 
17.62169 
1 1 1 26  13  13 f 35.10999 8.796774  270.7502       160.5132 424.9396       
263.2166 179.4646       202.5290 40.42932 13.34976 29.79066 11.45935 10.63866 
17.59355 
1 1 1 26  13  14 o 45.10150 8.455009  480.6176       165.8243 771.8842       
269.5194 303.2000       210.3503 55.12706 11.98027 35.07594 11.93407 20.05112 
16.91002 
1 1 1 26  13  15 f 38.91214 8.099778  391.7637       162.7476 115.7258       
249.6121 595.8808       214.6452 28.85852 12.13243 48.96577 10.73452 -20.10724 
16.19956 
1 1 1 26  13  16 o 24.76408 7.921264  -41.14660      177.0700 -20.79999      
248.9002 -61.99610      251.9575 25.14011 11.29513 24.38804 11.10881 0.7520695 
15.84253 
1 1 1 26  13  17 f 32.77538 9.061103  248.3533       180.7377 241.2089       
257.8169 255.2574       253.4426 32.57346 12.83742 32.97731 12.79121 
-0.4038544     18.12221 
1 1 1 26  13  18 o 32.72755 9.201063  243.2936       190.4223 176.5397       
261.8946 318.1677       277.3665 30.36675 12.57589 35.08835 13.43448 -4.721596 
18.40213 
1 1 1 26  13  19 o 29.59101 8.773152  152.4832       185.7937 236.1602       
264.6103 71.11616       260.9323 31.94931 12.85768 27.23271 11.93955 4.716599 
17.54630 
1 1 1 26  13  20 o 34.88060 9.282807  330.7393       186.7833 262.4498       
262.5758 400.6931       265.7560 32.42836 12.89981 37.33284 13.35204 -4.904476 
18.56561 
1 1 1 26  13  21 o 31.74308 8.716569  170.7016       192.7003 507.5036       
279.6670 -133.7421      265.8932 40.73654 13.76060 22.74962 10.70327 17.98691 
17.43314 
1 1 1 26  13  22 o 29.11209 8.668880  150.7489       180.4471 34.49823       
234.0070 321.2704       283.4134 24.65879 11.01845 33.56540 13.38625 -8.906607 
17.33776 
1 1 1 26  13  23 o 31.63787 8.876479  203.9816       203.8945 -126.2488      
290.5306 524.4820       286.2185 23.30719 11.04444 39.96855 13.89921 -16.66136 
17.75296 
1 1 1 26  13  24 f 24.24739 7.959414  -90.77747      200.1233 173.7219       
292.9659 -322.1686      274.0174 28.65899 12.60746 19.83579 9.719109 8.823206 
15.91883 
1 1 1 26  13  25 o 35.29353 9.190196  412.1588       191.3607 236.2491       
276.6476 573.5424       264.9792 29.42694 12.58687 41.16012 13.39438 -11.73318 
18.38039 
1 1 1 26  13  26 o 28.74865 8.459529  242.7013       171.2473 310.6164       
237.0800 168.6105       247.6246 30.84892 12.26193 26.64838 11.65759 4.200541 
16.91906 
1 1 1 26  13  27 o 24.20428 7.838756  86.88333       185.6829 -68.42775      
286.9046 198.8246       243.5744 22.07138 10.61046 26.33717 11.54134 -4.265795 
15.67751 
1 1 1 26  13  28 o 22.37297 7.435096  -16.83666      191.1778 -309.9722      
285.9371 220.1364       257.0903 18.75916 9.326117 25.98679 11.58215 -7.227633 
14.87019 
1 1 1 26  14  0  f 25.07931 7.948771  -16.44436      172.3963 -8.638072      
258.9741 -22.65653      231.0232 25.84767 11.56941 24.31095 10.90324 1.536728 
15.89754 
1 1 1 26  14  1  o 24.24994 7.682985  -19.91030      158.4260 -56.74905      
256.5154 2.806572       201.4352 24.82355 11.28081 23.67633 10.43343 1.147228 
15.36597 
1 1 1 26  14  2  f 42.19112 8.236788  479.3403       166.7574 213.5441       
263.4572 657.0079       215.3971 32.39181 12.91008 51.99043 10.23272 -19.59862 
16.47358 
1 1 1 26  14  3  o 33.67659 8.266083  275.1526       160.2460 -22.41427      
297.4244 396.8610       190.2149 27.44545 12.33816 39.90773 11.00374 -12.46228 
16.53217 
1 1 1 26  14  4  o 35.49117 8.979946  304.8842       163.8034 239.4254       
310.6370 330.0962       192.7847 34.44990 13.90332 36.53244 11.36905 -2.082539 
17.95989 
1 1 1 26  14  5  o 43.72170 8.615545  375.9185       170.3543 873.0778       
307.3768 155.5110       204.6616 58.39087 12.88414 29.05252 11.44156 29.33835 
17.23109 
1 1 1 26  14  6  o 41.71905 8.214427  466.8402       165.0412 190.8019       
273.1087 625.6349       207.1424 32.28374 13.03343 51.15435 10.00185 -18.87061 
16.42885 
1 1 1 26  14  7  o 46.96889 8.273936  545.4263       169.4299 341.1460       
231.8036 779.7455       248.2624 37.20301 12.52786 56.73476 10.81132 -19.53175 
16.54787 
1 1 1 26  14  8  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  14  9  o 30.72136 8.677291  167.2696       171.3870 225.5415       
232.1921 97.51933       254.0334 32.50107 12.33598 28.94164 12.20677 3.559425 
17.35458 
1 1 1 26  14  10 o 55.20056 8.033762  755.8696       182.8832 558.2697       
261.3242 945.5425       256.0289 46.48120 12.92838 63.91993 9.540558 -17.43873 
16.06752 
1 1 1 26  14  11 o 26.01707 8.039571  15.48022       168.5657 -73.41908      
257.3233 82.30458       223.0988 24.80142 11.27816 27.23273 11.46045 -2.431311 
16.07914 
1 1 1 26  14  12 o 22.88760 7.296704  -56.59688      149.2964 -21.92735      
216.1218 -88.24258      206.4819 23.93749 10.64542 21.83770 9.982112 2.099783 
14.59341 
1 1 1 26  14  13 o 30.76176 8.596537  136.8927       161.5497 338.6444       
274.7241 30.25223       199.7327 37.01502 13.54179 24.50851 10.59347 12.50651 
17.19307 
1 1 1 26  14  14 f 41.75104 8.479493  465.0367       164.3257 297.7686       
258.7643 578.0791       212.7250 35.20231 13.10149 48.29977 10.76838 -13.09746 
16.95899 
1 1 1 26  14  15 o 34.86202 8.846406  300.5006       167.0603 229.9535       
252.7525 355.2310       222.6230 32.50838 12.73987 37.21566 12.27727 -4.707283 
17.69281 
1 1 1 26  14  16 o 28.65419 8.509017  87.57760       180.7138 -62.75700      
252.6778 244.9924       258.5595 24.38737 11.11284 32.92100 12.88869 -8.533632 
17.01803 
1 1 1 26  14  17 o 24.09997 7.817849  -76.80420      180.8969 -85.27437      
258.8307 -68.71616      252.9250 24.06012 11.07218 24.13982 11.04001 
-0.7969284E-01 15.63570 
1 1 1 26  14  18 o 32.59311 8.752524  208.9799       184.2362 449.0703       
260.9914 -29.49047      260.1094 40.10000 13.29321 25.08621 11.38935 15.01380 
17.50505 
1 1 1 26  14  19 o 26.93768 8.370178  52.16068       184.9330 -31.19785      
260.0946 137.3913       262.9991 24.87181 11.31779 29.00355 12.33479 -4.131737 
16.74036 
1 1 1 26  14  20 o 59.97154 8.415643  963.8257       204.2704 955.9579       
283.8130 972.2818       294.2326 59.93580 11.69618 60.00729 12.10337 
-0.7148361E-01 16.83129 
1 1 1 26  14  21 f 28.37006 8.314509  132.0086       175.4825 291.4219       
234.3596 -71.42814      264.7495 32.90882 12.42191 23.83129 11.05533 9.077539 
16.62902 
1 1 1 26  14  22 o 24.08485 7.928982  -80.15366      195.6967 33.38273       
281.0212 -187.0509      272.6811 26.16437 11.86473 22.00532 10.52157 4.159046 
15.85796 
1 1 1 26  14  23 o 28.34134 8.721292  136.2956       200.0730 -0.6309441     
291.4658 258.3054       275.1320 25.48466 11.73683 31.19801 12.90312 -5.713345 
17.44258 
1 1 1 26  14  24 o 29.07948 8.730337  198.5186       190.1117 95.11278       
280.6157 286.2442       258.4654 26.71330 11.99778 31.44567 12.68576 -4.732372 
17.46067 
1 1 1 26  14  25 o 28.82511 8.510926  149.9616       183.3710 438.1908       
279.3930 -68.14518      243.0419 35.63348 13.52982 22.01674 10.32896 13.61674 
17.02185 
1 1 1 26  14  26 o 26.47139 8.362482  144.0977       188.1589 148.6749       
290.9366 140.8067       246.6964 26.88803 12.13874 26.05476 11.50545 0.8332634 
16.72496 
1 1 1 26  14  27 o 31.72770 9.133267  388.1871       190.6133 412.7619       
285.2075 368.3496       256.2477 32.11169 13.19010 31.34370 12.63676 0.7679863 
18.26653 
1 1 1 26  14  28 o 25.47857 8.109675  156.5148       184.8430 362.7112       
279.3660 -4.044720      246.5193 29.44643 12.62361 21.51071 10.18390 7.935715 
16.21935 
1 1 1 26  15  0  o 53.94780 9.113904  763.0978       199.8790 889.5674       
322.7641 684.4268       254.5658 56.82183 13.67489 51.07377 12.05199 5.748058 
18.22781 
1 1 1 26  15  1  o 38.76629 9.251606  382.6382       169.8246 459.6476       
302.2440 347.1088       205.2958 40.76887 14.27291 36.76371 11.77510 4.005157 
18.50321 
1 1 1 26  15  2  o 21.93046 7.334045  -192.3062      157.5619 -39.34644      
289.3238 -256.7964      187.8635 26.52779 12.03365 17.33312 8.387142 9.194675 
14.66809 
1 1 1 26  15  3  o 23.38742 7.496015  -79.86067      151.4001 54.46521       
257.4185 -150.9002      187.2017 27.54198 11.96707 19.23286 9.030519 8.309118 
14.99203 
1 1 1 26  15  4  o 63.70651 7.796590  1006.482       192.6805 917.6078       
317.2126 1058.444       242.5538 59.37076 13.07872 68.04227 8.490835 -8.671509 
15.59318 
1 1 1 26  15  5  o 24.72619 7.792350  -33.26987      155.2228 69.81627       
267.7251 -85.46896      190.5112 28.49036 12.28901 20.96202 9.584526 7.528345 
15.58470 
1 1 1 26  15  6  o 34.47208 8.690780  275.0978       157.5725 340.9364       
242.7594 227.1634       207.1380 37.03833 12.80820 31.90584 11.75026 5.132483 
17.38156 
1 1 1 26  15  7  o 30.13504 8.226460  151.7636       157.0065 4.307413       
220.4354 303.5949       223.6817 24.87463 10.93938 35.39546 12.28937 -10.52083 
16.45292 
1 1 1 26  15  8  o 28.23614 8.157502  97.33066       159.6991 -25.07621      
224.9990 221.6039       226.7079 24.34016 10.84209 32.13212 12.19133 -7.791956 
16.31500 
1 1 1 26  15  9  o 30.11041 8.617137  111.4889       174.1071 -24.92386      
229.0816 298.0489       267.8995 24.54057 10.93544 35.68024 13.32052 -11.13967 
17.23427 
1 1 1 26  15  10 o 55.25838 11.18528  751.5287       250.4283 751.5287       
250.4283 0.000000       0.000000 55.25838 11.18528 ?        ?        ? ? 
1 1 1 26  15  11 o 30.49048 8.257589  153.6904       154.6365 327.9000       
234.8517 20.35509       205.4614 36.43348 12.59798 24.54749 10.67905 11.88599 
16.51518 
1 1 1 26  15  12 o 53.20429 7.988664  681.6254       169.7328 826.4243       
274.0270 591.4915       216.1996 57.42134 11.77207 48.98725 10.80247 8.434086 
15.97733 
1 1 1 26  15  13 o 37.94957 8.370562  352.7991       141.1315 401.3329       
249.0440 329.8398       171.2908 39.35048 12.98539 36.54866 10.56622 2.801819 
16.74112 
1 1 1 26  15  14 o 33.02790 8.256083  250.4635       157.0818 56.86430       
243.7892 387.8977       205.4045 27.04315 11.69652 39.01266 11.65517 -11.96951 
16.51217 
1 1 1 26  15  15 o 23.83402 7.569653  -26.94619      155.1215 -24.88211      
199.6249 -30.09218      246.4513 22.77884 10.17767 24.88919 11.20774 -2.110353 
15.13931 
1 1 1 26  15  16 o 49.57154 9.101105  659.7229       191.6750 724.0410       
274.4505 598.4796       267.8103 52.19989 12.63978 46.94319 13.09796 5.256702 
18.20221 
1 1 1 26  15  17 o 38.81830 9.415801  410.6967       186.0420 367.6752       
262.6085 454.0438       263.6006 37.09800 13.27227 40.53860 13.35950 -3.440598 
18.83160 
1 1 1 26  15  18 o 24.48705 7.875577  -46.32632      178.8132 -109.7054      
253.0116 16.92108       252.7486 23.16435 10.76958 25.80975 11.49413 -2.645395 
15.75115 
1 1 1 26  15  19 o 47.40595 9.327990  622.6167       199.4809 421.6134       
266.9372 876.8359       300.2007 38.50627 13.41979 56.30564 12.95973 -17.79937 
18.65598 
1 1 1 26  15  20 o 29.96484 8.054289  125.7703       176.0124 430.5582       
233.3952 -276.1566      268.0196 39.05476 12.55976 20.87493 10.08655 18.17982 
16.10858 
1 1 1 26  15  21 o 28.06336 8.609776  103.1743       193.8333 -30.36186      
281.4683 223.6250       267.3220 25.20577 11.57704 30.92095 12.74697 -5.715178 
17.21955 
1 1 1 26  15  22 o 22.17222 7.343282  -100.4087      170.9883 -216.3297      
283.4419 -34.08721      214.3928 22.01450 10.57414 22.32994 10.19229 
-0.3154449     14.68656 
1 1 1 26  15  23 o 32.75880 9.155898  306.2721       191.4126 201.5363       
281.7184 396.0852       260.8780 29.71583 12.70578 35.80177 13.18654 -6.085943 
18.31180 
1 1 1 26  15  24 o 36.15737 9.403947  422.5898       187.1431 437.4634       
281.0163 410.7367       250.8636 36.35094 13.62848 35.96380 12.96154 0.3871460 
18.80789 
1 1 1 26  15  25 o 26.25529 8.244083  98.24509       181.5308 215.9285       
275.8626 8.364136       241.0843 29.03423 12.49840 23.47634 10.75405 5.557892 
16.48817 
1 1 1 26  15  26 o 18.88451 6.519891  -328.4780      181.4676 -705.8194      
285.9681 -74.09259      234.7992 16.50552 8.345034 21.26351 10.01980 -4.757986 
13.03978 
1 1 1 26  15  27 o 45.84353 9.459147  750.9344       195.6569 962.2209       
297.4363 589.7686       259.7733 52.11889 13.49137 39.56816 13.26216 12.55073 
18.91829 
1 1 1 26  15  28 o 20.55277 7.002125  -110.9426      181.1338 53.21531       
263.6514 -257.6876      249.2762 22.89195 10.74288 18.21360 8.983853 4.678345 
14.00425 
1 1 1 26  16  0  o 32.89139 9.069323  258.9038       180.6067 216.1049       
284.5746 287.7693       233.7057 32.03331 13.16963 33.74947 12.47283 -1.716160 
18.13865 
1 1 1 26  16  1  o 31.05365 8.427637  173.7469       181.3561 -166.0790      
293.1137 384.5298       230.8477 24.07901 11.30487 38.02828 12.50201 -13.94927 
16.85527 
1 1 1 26  16  2  f 22.95313 7.548933  -176.8934      157.2372 83.52431       
290.8801 -284.4021      186.8962 29.10381 12.68406 16.80245 8.189029 12.30137 
15.09787 
1 1 1 26  16  3  o 30.85435 8.414444  200.8231       148.2579 226.8578       
253.9938 187.3686       182.5916 32.36292 12.74586 29.34579 10.98883 3.017126 
16.82889 
1 1 1 26  16  4  o 27.92409 8.007928  23.13442       151.3829 332.0089       
259.2034 -136.7586      186.4939 36.38814 13.16921 19.46004 9.114803 16.92811 
16.01586 
1 1 1 26  16  5  o 31.16497 8.240901  183.4522       147.5642 342.0478       
233.4661 77.94288       190.4249 36.80058 12.57271 25.52936 10.65724 11.27122 
16.48180 
1 1 1 26  16  6  o 46.75888 8.698663  565.2380       173.2881 590.3886       
240.0002 537.8458       250.4677 48.10958 11.92659 45.40817 12.66583 2.701408 
17.39733 
1 1 1 26  16  7  o 43.08043 8.584558  472.4680       162.5141 550.6189       
238.3324 404.5531       222.1765 46.36442 12.11187 39.79644 12.16886 6.567982 
17.16912 
1 1 1 26  16  8  o 47.53524 8.198782  570.1061       162.7688 504.0963       
229.6482 636.7424       230.7352 44.42410 12.02102 50.64639 11.15236 -6.222294 
16.39756 
1 1 1 26  16  9  o 32.34010 8.787503  215.7506       175.3102 318.3085       
232.7371 81.23971       266.5384 35.95291 12.53059 28.72729 12.32335 7.225622 
17.57501 
1 1 1 26  16  10 o 48.28506 8.886101  623.0295       193.0172 829.9385       
262.3037 378.6833       285.0477 58.01096 11.16854 38.55916 13.82443 19.45180 
17.77220 
1 1 1 26  16  11 o 22.90744 10.23988  -31.60281      202.2807 0.000000       
0.000000 -31.60281      202.2807 ?        ?        22.90744 10.23988 ? ? 
1 1 1 26  16  12 o 33.47476 7.736970  242.6095       146.1791 6.324150       
212.5412 454.7051       201.3681 24.40661 10.73759 42.54291 11.14212 -18.13630 
15.47394 
1 1 1 26  16  13 f 37.00808 8.758085  344.1090       157.3860 370.0630       
252.1641 327.5467       201.4382 37.90337 13.05909 36.11279 11.67375 1.790581 
17.51617 
1 1 1 26  16  14 o 43.18881 8.761237  493.5642       167.8799 441.4568       
252.9894 534.5630       224.4081 40.74241 13.07373 45.63522 11.66682 -4.892803 
17.52247 
1 1 1 26  16  15 o 36.78889 9.113197  342.5285       178.7712 461.0150       
254.3027 226.7644       251.3642 41.36576 13.09092 32.21201 12.68185 9.153744 
18.22639 
1 1 1 26  16  16 o 43.29355 9.256658  506.9135       185.7404 392.9837       
255.6557 634.2784       270.3097 38.27961 13.15302 48.30749 13.02847 -10.02788 
18.51332 
1 1 1 26  16  17 o 27.52843 8.434972  78.44423       180.0967 99.92966       
251.4245 55.80330       258.0968 27.98395 11.98547 27.07292 11.87197 0.9110298 
16.86994 
1 1 1 26  16  18 o 20.72982 7.053611  -272.0164      182.0494 -192.5148      
254.0782 -355.8918      260.9738 21.72696 10.31109 19.73267 9.627829 1.994286 
14.10722 
1 1 1 26  16  19 o 34.83534 9.312854  321.3607       187.2827 383.1793       
271.0363 264.8744       259.0834 36.95184 13.45724 32.71884 12.87709 4.232994 
18.62571 
1 1 1 26  16  20 o 30.90749 8.919682  187.5258       190.6661 361.1543       
276.9630 31.11357       262.8735 35.76247 13.50245 26.05251 11.65877 9.709963 
17.83936 
1 1 1 26  16  21 o 31.50038 9.113084  212.6177       196.2841 392.7945       
295.3170 70.03183       262.7104 36.30124 13.87298 26.69952 11.82090 9.601711 
18.22617 
1 1 1 26  16  22 o 24.94791 8.099267  -18.72378      192.9559 17.09863       
289.8699 -47.22704      258.5669 26.09147 11.89293 23.80434 10.99776 2.287128 
16.19853 
1 1 1 26  16  23 o 44.47551 8.539057  580.9106       164.9852 636.6335       
225.1697 516.3153       242.4342 47.73176 11.38066 41.21925 12.73352 6.512508 
17.07811 
1 1 1 26  16  24 o 25.56532 8.087093  52.85147       178.3956 184.6316       
269.8152 -49.50049      237.7878 28.64410 12.34588 22.48653 10.44909 6.157566 
16.17419 
1 1 1 26  16  25 o 23.36663 7.685528  -82.89177      184.0155 154.0170       
280.2003 -262.5569      244.0113 27.60956 12.21794 19.12370 9.326913 8.485865 
15.37106 
1 1 1 26  16  26 o 31.92010 9.156471  322.1667       189.7523 488.9479       
300.2270 211.2287       244.8593 35.86399 13.91959 27.97621 11.89996 7.887777 
18.31294 
1 1 1 26  16  27 f 21.32495 7.180966  -73.39483      178.6866 -127.3901      
265.0506 -28.40838      241.9311 20.90358 10.08543 21.74632 10.22493 
-0.8427391     14.36193 
1 1 1 26  16  28 o 19.86786 6.854117  -159.1582      186.2618 -126.8369      
270.4323 -188.3291      256.9151 20.44510 9.937687 19.29063 9.442354 1.154469 
13.70823 
1 1 1 26  16  29 o 33.79924 13.35216  529.0926       279.5215 529.0926       
279.5215 0.000000       0.000000 33.79924 13.35216 ?        ?        ? ? 
1 1 1 26  17  0  o 45.91354 8.780788  568.6221       176.1677 741.7599       
263.3398 428.3726       237.0123 52.50522 12.17327 39.32187 12.65782 13.18335 
17.56158 
1 1 1 26  17  1  o 61.41514 8.135197  958.9824       199.7241 1074.667       
311.6981 878.4005       260.1454 64.03917 12.03610 58.79110 10.94797 5.248066 
16.27039 
1 1 1 26  17  2  o 30.59501 8.708637  193.6358       171.9673 80.64490       
301.2277 248.2656       209.4536 29.11815 12.79685 32.07186 11.81533 -2.953711 
17.41727 
1 1 1 26  17  3  o 34.32017 8.369272  308.1475       154.5577 110.4640       
290.0814 386.5138       182.6414 29.65301 12.79117 38.98732 10.79651 -9.334312 
16.73854 
1 1 1 26  17  4  o 48.62667 7.820916  588.3311       155.6889 708.2454       
235.9093 495.8056       207.2240 53.15853 10.94509 44.09481 11.17461 9.063725 
15.64183 
1 1 1 26  17  5  o 23.93671 7.510940  -7.271189      150.5994 -23.13056      
210.6214 9.318913       215.4190 23.39322 10.45316 24.48020 10.78835 -1.086981 
15.02188 
1 1 1 26  17  6  o 28.72388 8.003488  132.4601       148.4991 265.4366       
215.5793 12.39049       204.8501 33.33016 12.01517 24.11759 10.57633 9.212566 
16.00698 
1 1 1 26  17  7  o 34.79696 7.764570  233.2687       157.3833 -70.98428      
219.0839 557.7095       226.2355 22.76691 10.36727 46.82702 11.56174 -24.06011 
15.52914 
1 1 1 26  17  8  o 27.71858 8.094658  106.8269       155.0339 37.32667       
221.8882 173.1185       216.7057 25.64037 11.12520 29.79679 11.76111 -4.156422 
16.18932 
1 1 1 26  17  9  o 26.69391 8.370122  7.799878       186.9822 44.63820       
258.4750 -32.64209      270.8225 27.35022 11.93788 26.03760 11.73554 1.312622 
16.74024 
1 1 1 26  17  10 o 32.01527 8.959218  211.1128       178.3303 224.9614       
234.8848 192.2671       274.0050 32.11063 12.34309 31.91991 12.98916 0.1907177 
17.91844 
1 1 1 26  17  11 o 39.88187 8.806173  411.7962       164.5179 359.5537       
231.3802 465.2140       233.9683 37.49549 12.51642 42.26824 12.39089 -4.772747 
17.61235 
1 1 1 26  17  12 o 25.24074 7.527159  64.77339       136.8875 102.5395       
196.4034 29.09763       190.8907 26.56002 10.93373 23.92146 10.34824 2.638561 
15.05432 
1 1 1 26  17  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  17  14 o 28.95472 7.911550  146.1924       145.5937 7.186403       
205.0103 287.6395       206.8026 23.87720 10.52330 34.03225 11.81654 -10.15505 
15.82310 
1 1 1 26  17  15 o 48.86596 8.929841  640.4080       188.8748 479.1722       
264.9453 807.0212       269.3271 41.81272 13.37526 55.91920 11.83515 -14.10648 
17.85968 
1 1 1 26  17  16 o 41.87000 9.188157  478.0833       178.4217 431.4176       
246.3749 529.5471       258.7309 39.84349 12.91339 43.89651 13.07414 -4.053020 
18.37631 
1 1 1 26  17  17 o 34.12244 9.082166  291.6825       179.5511 362.0748       
252.3672 219.5265       255.5090 36.67419 13.02185 31.57069 12.66390 5.103502 
18.16433 
1 1 1 26  17  18 o 32.35574 9.029537  243.0607       183.7427 159.8437       
259.6894 326.4858       260.0138 29.62809 12.41163 35.08339 13.11799 -5.455294 
18.05907 
1 1 1 26  17  19 o 64.73528 8.063096  1084.540       212.6447 1123.753       
322.6405 1054.426       282.7437 64.53200 12.34913 64.93857 10.37078 
-0.4065704     16.12619 
1 1 1 26  17  20 o 34.81466 9.388154  322.2675       196.8684 467.4648       
284.1642 188.2558       272.9992 39.42150 13.83579 30.20781 12.69333 9.213692 
18.77631 
1 1 1 26  17  21 o 28.62307 8.611803  112.6637       194.5552 -105.7971      
283.8378 306.2648       267.2005 23.85680 11.18681 33.38934 13.09611 -9.532547 
17.22361 
1 1 1 26  17  22 o 42.88628 9.355423  546.5897       188.9844 739.1714       
286.7336 398.6774       251.2888 49.33966 13.46859 36.43290 12.98818 12.90676 
18.71085 
1 1 1 26  17  23 o 27.98816 8.219194  173.7927       160.0371 211.2368       
219.6401 131.4147       233.6635 29.11194 11.71490 26.86438 11.53177 2.247562 
16.43839 
1 1 1 26  17  24 o 22.75470 7.520284  -110.0240      178.9729 98.07706       
271.8497 -269.2213      237.7713 26.56935 11.87398 18.94004 9.231865 7.629309 
15.04057 
1 1 1 26  17  25 o 26.50893 8.128217  141.8496       167.3510 154.3342       
231.6918 128.2312       241.9837 26.75561 11.48397 26.26226 11.50608 0.4933472 
16.25643 
1 1 1 26  17  26 o 21.90268 7.353046  -84.25606      182.1874 -97.58981      
276.5418 -74.03088      242.1698 22.27784 10.63844 21.52751 10.15346 0.7503300 
14.70609 
1 1 1 26  17  27 o 24.63270 7.776346  117.8012       166.9430 184.7385       
220.9212 28.69544       254.8921 26.14119 11.21685 23.12421 10.77351 3.016979 
15.55269 
1 1 1 26  17  28 o 24.83686 8.034709  124.1302       192.9943 -45.65613      
271.0941 298.6083       274.8143 21.56683 10.35477 28.10689 12.28841 -6.540056 
16.06942 
1 1 1 26  17  29 o 23.77767 10.67510  142.5367       221.9622 142.5367       
221.9622 0.000000       0.000000 23.77767 10.67510 ?        ?        ? ? 
1 1 1 26  18  0  o 25.13855 7.765304  53.26590       155.6173 -97.86162      
277.9027 122.3019       187.8273 24.10706 11.23833 26.17004 10.71913 -2.062986 
15.53061 
1 1 1 26  18  1  o 33.99818 7.895834  279.7964       158.3834 -24.15896      
242.5878 505.6263       209.1003 24.29294 11.01945 43.70341 11.31143 -19.41047 
15.79167 
1 1 1 26  18  2  o 33.42562 8.736521  279.7888       160.1314 312.4487       
251.2296 257.4409       207.8168 34.64947 12.90663 32.20177 11.77820 2.447701 
17.47304 
1 1 1 26  18  3  o 31.88832 8.408188  237.9486       161.1493 77.25475       
253.0851 347.5271       208.9920 27.40684 11.88647 36.36980 11.89547 -8.962965 
16.81638 
1 1 1 26  18  4  o 27.25082 7.966337  79.01458       146.4012 245.8441       
244.4037 -14.34629      182.8326 32.48553 12.56917 22.01611 9.791116 10.46943 
15.93267 
1 1 1 26  18  5  o 56.58376 7.172281  717.0689       160.9595 1148.011       
270.3995 480.5658       200.3157 69.75702 9.232921 43.41049 10.97814 26.34653 
14.34456 
1 1 1 26  18  6  o 44.35054 8.655398  522.1711       176.8967 721.0170       
248.8289 318.9810       251.5323 53.16652 11.47416 35.53455 12.96176 17.63197 
17.31080 
1 1 1 26  18  7  o 24.84705 7.473640  -12.41310      150.9437 194.8383       
211.4597 -227.7238      215.5319 30.25373 11.69435 19.44038 9.309316 10.81335 
14.94728 
1 1 1 26  18  8  o 43.33166 9.129383  503.5058       178.8851 467.2952       
261.6720 535.2759       245.1034 41.65325 13.28917 45.01007 12.52121 -3.356823 
18.25877 
1 1 1 26  18  9  o 33.45493 8.830594  207.9865       173.9958 43.05138       
224.1573 458.0039       275.9825 25.77584 11.18293 41.13401 13.66966 -15.35817 
17.66119 
1 1 1 26  18  10 o 51.78245 8.660924  672.2828       182.1489 570.4292       
231.7618 836.8444       294.5898 47.07663 11.75041 56.48826 12.72691 -9.411633 
17.32185 
1 1 1 26  18  11 o 20.38531 6.723615  -124.1126      139.8413 -141.4745      
213.7807 -111.1272      184.8828 20.89469 9.781782 19.87593 9.227391 1.018753 
13.44723 
1 1 1 26  18  12 o 28.27250 7.873522  154.7546       137.5662 139.7291       
199.4704 168.3833       189.9730 27.86983 11.18518 28.67517 11.08427 
-0.8053474     15.74704 
1 1 1 26  18  13 o 41.07489 8.071165  431.5926       144.9491 505.8990       
211.8431 366.1811       198.7598 44.41503 11.32400 37.73476 11.50399 6.680267 
16.14233 
1 1 1 26  18  14 o 24.15668 10.68374  5.553266       213.8296 0.000000       
0.000000 5.553266       213.8296 ?        ?        24.15668 10.68374 ? ? 
1 1 1 26  18  15 o 36.56867 12.35714  351.2738       225.5290 351.2738       
225.5290 0.000000       0.000000 36.56867 12.35714 ?        ?        ? ? 
1 1 1 26  18  16 o 23.52151 7.507024  -30.49733      157.6921 -94.41196      
243.6628 15.56452       206.8520 23.09619 10.67269 23.94683 10.56008 
-0.8506470     15.01405 
1 1 1 26  18  17 o 34.80238 9.186906  316.4132       180.1683 332.6071       
257.5935 300.9042       252.0885 35.39855 13.09226 34.20620 12.89145 1.192352 
18.37381 
1 1 1 26  18  18 o 26.77567 8.417692  41.70947       190.2003 62.43293       
273.2236 22.22423       264.9354 27.38198 12.09774 26.16936 11.70790 1.212618 
16.83538 
1 1 1 26  18  19 o 39.11757 9.642401  450.8414       196.5669 385.8637       
291.6864 504.9006       266.0537 36.68382 13.85482 41.55132 13.41446 -4.867493 
19.28480 
1 1 1 26  18  20 o 41.84662 9.547226  518.8600       196.5027 671.5172       
284.0343 378.7198       272.1407 47.53009 13.56287 36.16315 13.44048 11.36695 
19.09445 
1 1 1 26  18  21 f 24.83238 7.799766  39.52038       163.9283 -69.10475      
269.9924 102.9452       206.3079 23.93834 11.12776 25.72643 10.93244 -1.788090 
15.59953 
1 1 1 26  18  22 o 26.57535 8.067892  114.9429       154.5468 149.6131       
266.5540 97.38610       189.6834 28.33357 12.24222 24.81714 10.51149 3.516428 
16.13578 
1 1 1 26  18  23 o 22.54779 7.195508  5.082022       144.4282 -9.041217      
218.4484 16.05007       192.5069 22.76819 10.36366 22.32740 9.984779 0.4407825 
14.39102 
1 1 1 26  18  24 o 28.44422 8.584548  184.1288       179.6658 236.8257       
273.7473 144.2522       238.1311 29.96764 12.65708 26.92081 11.60069 3.046829 
17.16910 
1 1 1 26  18  25 f 23.70867 7.585183  33.87780       162.2811 -10.90841      
220.5819 86.71766       239.5955 22.31015 10.24775 25.10718 11.18587 -2.797028 
15.17037 
1 1 1 26  18  26 o 21.42455 7.237085  -116.8808      182.8728 -66.16161      
267.7581 -161.2230      250.3601 22.44224 10.61954 20.40686 9.834981 2.035376 
14.47417 
1 1 1 26  18  27 o 27.53338 8.444913  206.4490       190.1201 382.0854       
267.6214 27.49507       270.1371 31.69251 12.85762 23.37425 10.95207 8.318264 
16.88983 
1 1 1 26  18  28 o 23.62936 7.817187  43.02443       197.0709 -149.4543      
270.6155 260.3558       287.5561 20.14194 9.823288 27.11678 12.16292 -6.974844 
15.63437 
1 1 1 26  18  29 o 18.56514 9.245979  -325.5364      287.2775 -325.5364      
287.2775 0.000000       0.000000 18.56514 9.245979 ?        ?        ? ? 
1 1 1 26  19  0  o 31.32933 8.560172  231.1880       163.6461 362.3030       
244.1783 124.2770       220.4914 35.67908 12.79472 26.97957 11.37547 8.699512 
17.12034 
1 1 1 26  19  1  o 30.63612 8.389674  228.1683       157.2336 126.3956       
264.0953 284.0512       195.6971 28.42029 12.23146 32.85196 11.48642 -4.431671 
16.77935 
1 1 1 26  19  2  o 55.53430 7.608867  774.2885       173.2184 937.4356       
262.8390 649.0272       230.3075 61.44404 10.18899 49.62456 11.30327 11.81948 
15.21773 
1 1 1 26  19  3  o 27.73359 7.851902  131.6527       144.8881 251.5462       
206.5393 15.48527       203.3045 31.83751 11.73247 23.62967 10.43832 8.207840 
15.70380 
1 1 1 26  19  4  o 30.63113 8.102841  206.5010       146.9290 324.7600       
209.1618 91.29638       206.4430 35.19201 11.90030 26.07026 11.00032 9.121748 
16.20568 
1 1 1 26  19  5  o 32.53927 8.359387  263.5149       147.7528 209.5545       
242.4431 295.3978       186.3594 31.06119 12.38301 34.01735 11.23292 -2.956160 
16.71877 
1 1 1 26  19  6  o 32.94635 7.595788  191.8861       152.1073 -115.2857      
211.0403 523.9639       219.4293 21.11781 9.824938 44.77489 11.58683 -23.65708 
15.19158 
1 1 1 26  19  7  o 31.65866 8.315304  210.2620       160.7007 27.88001       
232.5619 376.9255       222.3145 25.51325 11.22816 37.80406 12.26807 -12.29081 
16.63061 
1 1 1 26  19  8  o 26.72520 8.276720  40.81775       172.4967 3.448090       
219.0975 101.7505       279.7715 24.33313 10.78140 29.11726 12.56096 -4.784132 
16.55344 
1 1 1 26  19  9  o 37.75267 9.430511  378.3977       186.9663 399.8716       
266.5672 357.6050       262.3049 38.56218 13.41324 36.94316 13.25983 1.619022 
18.86102 
1 1 1 26  19  10 o 30.09484 8.489303  169.4507       170.6421 278.2224       
222.4955 14.08114       265.9172 33.62968 12.19814 26.56001 11.81009 7.069668 
16.97861 
1 1 1 26  19  11 o 43.21959 8.153104  476.3907       148.3652 531.4601       
235.2941 440.0439       191.1561 44.83596 12.18376 41.60322 10.83737 3.232738 
16.30621 
1 1 1 26  19  12 o 28.50435 8.246021  143.3388       156.4695 39.40232       
273.9831 193.6441       190.6105 27.40828 12.11128 29.60041 11.19394 -2.192127 
16.49204 
1 1 1 26  19  13 f 27.66771 8.107378  105.7053       158.9815 209.1143       
224.2467 1.206238       225.4254 30.83219 12.01691 24.50324 10.88633 6.328945 
16.21476 
1 1 1 26  19  14 o 30.37362 8.394364  196.1261       155.8165 255.3188       
228.1505 144.3822       213.3128 32.56080 12.26554 28.18644 11.46377 4.374355 
16.78873 
1 1 1 26  19  15 o 23.60300 7.273467  -90.95892      152.4954 194.4879       
218.8369 -360.4171      212.6197 30.00745 11.82687 17.19855 8.469855 12.80890 
14.54693 
1 1 1 26  19  16 o 21.22735 9.873595  -108.5877      212.9774 0.000000       
0.000000 -108.5877      212.9774 ?        ?        21.22735 9.873595 ? ? 
1 1 1 26  19  17 o 30.41601 8.710512  198.9830       172.8298 186.2347       
249.9453 210.6628       239.2424 30.12655 12.35673 30.70548 12.28020 
-0.5789318     17.42102 
1 1 1 26  19  18 o 34.21950 9.230816  308.9669       183.4201 346.1118       
277.5831 280.1790       244.3700 35.44966 13.47835 32.98934 12.61610 2.460316 
18.46163 
1 1 1 26  19  19 o 24.99151 8.008601  -51.60599      190.5688 -260.6136      
277.6393 134.5837       262.0461 21.46534 10.34801 28.51768 12.22577 -7.052338 
16.01720 
1 1 1 26  19  20 o 28.71872 8.710455  147.1119       188.4101 126.3016       
268.7567 167.2233       264.2059 28.23329 12.24700 29.20414 12.38948 
-0.9708481     17.42091 
1 1 1 26  19  21 o 26.80880 8.226851  96.18692       176.5881 -21.65289      
269.3412 185.0294       233.8660 24.72589 11.34332 28.89171 11.91862 -4.165823 
16.45370 
1 1 1 26  19  22 o 26.19967 8.211673  79.09430       178.2634 97.83230       
272.2151 65.02510       235.8768 27.09515 12.00976 25.30418 11.20231 1.790970 
16.42335 
1 1 1 26  19  23 o 34.70059 9.251067  372.4559       182.5968 399.8067       
279.5236 352.0969       241.1638 35.31808 13.49701 34.08310 12.65542 1.234982 
18.50213 
1 1 1 26  19  24 o 29.74886 8.435990  203.4612       182.2623 -61.66616      
271.4008 421.2567       245.9849 23.29588 10.92651 36.20185 12.85594 -12.90597 
16.87198 
1 1 1 26  19  25 o 18.76297 6.522385  -336.0189      174.3587 -120.6181      
255.4024 -524.0319      238.6137 21.49475 10.25477 16.03119 8.062616 5.463564 
13.04477 
1 1 1 26  19  26 o 21.04770 7.151402  -139.9638      184.1923 -196.1260      
258.5271 -82.06537      262.4927 20.15415 9.771197 21.94125 10.44480 -1.787104 
14.30280 
1 1 1 26  19  27 o 27.57694 8.454965  239.5126       180.7296 235.8644       
268.2597 242.5448       244.5615 27.50911 12.08307 27.64478 11.82984 
-0.1356621     16.90993 
1 1 1 26  19  28 o 20.80247 6.947183  -75.44140      175.0022 135.6203       
217.2420 -465.5794      295.3576 23.82998 10.63310 17.77496 8.943744 6.055025 
13.89437 
1 1 1 26  20  0  o 51.94041 7.902261  728.0022       167.2152 783.9254       
240.8519 675.9647       232.3340 54.14762 10.97757 49.73319 11.36996 4.414436 
15.80452 
1 1 1 26  20  1  o 39.30219 9.056441  451.3981       172.1272 406.7192       
241.3372 497.6570       245.5673 37.39186 12.78289 41.21251 12.83255 -3.820644 
18.11288 
1 1 1 26  20  2  o 27.94011 7.730910  174.0244       131.6088 162.1551       
196.7285 183.6396       177.0663 27.72379 11.11574 28.15643 10.74747 
-0.4326382     15.46182 
1 1 1 26  20  3  o 33.81226 8.336082  303.4532       146.0539 336.9952       
207.0008 270.2010       206.1049 35.28874 11.83867 32.33578 11.73912 2.952965 
16.67216 
1 1 1 26  20  4  o 36.57117 8.329717  363.4507       160.2839 164.5936       
244.5716 513.1627       212.2089 29.25589 12.13661 43.88646 11.41225 -14.63057 
16.65943 
1 1 1 26  20  5  f 29.25774 7.705188  151.7213       138.6633 355.5931       
207.6918 -12.23586      186.2542 36.46720 11.85841 22.04829 9.841633 14.41891 
15.41038 
1 1 1 26  20  6  o 25.22338 7.654229  59.97701       146.7293 7.341517       
206.5386 113.6109       208.4883 23.61520 10.46500 26.83156 11.17286 -3.216362 
15.30846 
1 1 1 26  20  7  o 21.55650 7.205713  -176.9867      171.7738 -231.8839      
241.9798 -121.2235      243.8812 20.57060 9.853769 22.54241 10.51629 -1.971813 
14.41143 
1 1 1 26  20  8  o 30.41531 8.615088  193.7433       164.3103 187.9223       
210.2460 202.8773       263.3656 29.59103 11.61468 31.23958 12.72706 -1.648550 
17.23018 
1 1 1 26  20  9  o 32.89237 8.693604  266.0513       164.0921 316.4021       
212.5727 191.8078       258.1272 34.95243 11.99521 30.83232 12.58689 4.120106 
17.38721 
1 1 1 26  20  10 o 34.92460 8.996215  307.3076       168.7367 269.3687       
218.1575 363.8015       266.2126 32.98293 12.06731 36.86626 13.34570 -3.883331 
17.99243 
1 1 1 26  20  11 f 23.70679 7.434489  6.511891       145.3781 -53.46931      
240.9920 40.82724       182.2801 23.85166 10.86446 23.56191 10.15136 0.2897491 
14.86898 
1 1 1 26  20  12 o 33.17368 9.157959  246.2173       166.4778 318.4058       
333.5621 222.2709       192.1157 35.67793 14.40380 30.66943 11.31386 5.008497 
18.31592 
1 1 1 26  20  13 o 29.73559 8.133039  195.3517       144.9976 162.9082       
216.1053 221.9162       195.5475 28.80917 11.60899 30.66201 11.39371 -1.852842 
16.26608 
1 1 1 26  20  14 o 24.09056 7.480042  0.4666092      148.5501 116.9761       
218.2523 -100.0941      202.7648 27.29045 11.40200 20.89068 9.684965 6.399778 
14.96008 
1 1 1 26  20  15 o 31.03994 8.376335  213.6335       155.7360 326.2721       
228.4007 115.7621       212.9030 35.07668 12.39480 27.00319 11.27036 8.073490 
16.75267 
1 1 1 26  20  16 o 32.82780 8.712266  263.6729       163.7021 355.7040       
244.7707 189.1950       220.1941 36.08274 12.82311 29.57288 11.79755 6.509861 
17.42453 
1 1 1 26  20  17 o 34.83574 8.907391  307.4536       176.7787 484.3416       
256.1398 146.5579       244.2869 41.05462 13.15297 28.61686 12.01523 12.43776 
17.81478 
1 1 1 26  20  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  20  19 f 24.69749 7.874463  -5.719408      174.8975 -105.0187      
247.6067 93.15704       247.0789 22.52441 10.54161 26.87057 11.70056 -4.346151 
15.74893 
1 1 1 26  20  20 o 23.16841 7.407786  -14.19520      156.7832 -143.1167      
257.7357 61.53389       197.5346 22.16162 10.45904 24.17520 10.49332 -2.013580 
14.81557 
1 1 1 26  20  21 o 36.72010 8.941685  360.7005       178.3978 633.5981       
274.6578 161.5503       234.6295 45.39897 13.46014 28.04123 11.77453 17.35774 
17.88337 
1 1 1 26  20  22 o 25.74575 7.920753  44.61890       175.9389 -215.8027      
267.6486 242.7746       233.4693 21.14258 10.18448 30.34892 12.13382 -9.206335 
15.84151 
1 1 1 26  20  23 o 27.76461 8.445393  160.5981       178.1561 125.7848       
268.2717 188.0640       238.2867 27.21358 12.01007 28.31564 11.87674 -1.102058 
16.89079 
1 1 1 26  20  24 o 28.11540 8.519304  180.7229       183.0590 93.20847       
271.7115 253.4637       247.7180 26.19069 11.78238 30.04012 12.30811 -3.849428 
17.03861 
1 1 1 26  20  25 o 23.02573 7.514440  -3.233717      165.0103 -39.66596      
209.5292 56.25934       267.7532 21.13196 9.815384 24.91950 11.38093 -3.787537 
15.02888 
1 1 1 26  20  26 o 30.22680 8.984974  306.7049       194.5287 335.3431       
262.1033 271.5842       290.2563 31.16053 12.69596 29.29306 12.71737 1.867462 
17.96995 
1 1 1 26  20  27 o 23.91439 7.825958  42.36617       195.7833 232.6274       
263.8220 -190.8511      292.0897 27.19639 11.96399 20.63239 10.09184 6.564001 
15.65192 
1 1 1 26  20  28 o 21.36584 7.024209  42.49623       118.5590 116.8027       
295.9425 28.29073       129.3964 24.28060 11.39224 18.45108 8.220395 5.829517 
14.04842 
1 1 1 26  21  0  o 32.95376 8.032824  268.8038       146.7741 93.80698       
195.3135 495.8412       222.4671 24.75475 10.58179 41.15277 12.08845 -16.39802 
16.06565 
1 1 1 26  21  1  o 31.44491 8.199219  242.9805       144.5154 392.3641       
227.1992 141.4723       187.2862 36.58288 12.40281 26.30694 10.72749 10.27594 
16.39844 
1 1 1 26  21  2  o 34.33533 8.203506  318.4626       149.6828 457.8906       
210.7299 176.4821       212.6500 40.38377 11.73418 28.28689 11.46731 12.09689 
16.40701 
1 1 1 26  21  3  o 20.08489 6.653352  -102.5724      137.2392 -171.0841      
230.9965 -65.19652      170.6154 20.59819 9.801992 19.57159 8.999408 1.026604 
13.30670 
1 1 1 26  21  4  o 22.33354 7.105274  -31.55595      143.0464 62.71344       
202.0607 -126.2698      202.5365 24.61470 10.64740 20.05238 9.411298 4.562325 
14.21055 
1 1 1 26  21  5  o 28.24958 7.954402  150.2028       146.6984 40.70985       
202.3235 271.5734       213.0150 24.09268 10.53853 32.40649 11.91761 -8.313803 
15.90880 
1 1 1 26  21  6  o 29.33906 8.273960  179.3292       153.4854 251.4295       
231.9536 123.1699       204.7122 31.87049 12.26270 26.80763 11.11124 5.062864 
16.54792 
1 1 1 26  21  7  o 34.99226 8.341187  322.5984       149.3802 411.6176       
209.5509 230.6227       213.0023 39.02010 11.79551 30.96442 11.79693 8.055681 
16.68237 
1 1 1 26  21  8  o 46.18303 9.046905  614.4943       189.4213 746.2722       
251.3700 441.3389       288.1442 53.24303 11.56903 39.12303 13.91199 14.12000 
18.09381 
1 1 1 26  21  9  o 29.70407 8.799813  161.4663       175.3669 165.1114       
210.3940 153.1701       317.4095 28.58392 11.48090 30.82422 13.33926 -2.240297 
17.59963 
1 1 1 26  21  10 o 43.37068 9.561985  537.1281       191.1667 540.5963       
304.8025 534.8793       245.4402 42.72932 14.36568 44.01205 12.62353 -1.282734 
19.12397 
1 1 1 26  21  11 o 29.60977 8.411099  184.0847       154.7558 146.4352       
276.2356 201.3066       186.8273 29.70612 12.63771 29.51343 11.10291 0.1926842 
16.82220 
1 1 1 26  21  12 o 52.89933 8.557385  758.3329       184.8102 680.4428       
305.6079 803.2394       232.0482 48.20344 14.17119 57.59521 9.596498 -9.391773 
17.11477 
1 1 1 26  21  13 o 27.67118 8.069364  133.4685       152.6570 178.2862       
214.4007 87.38390       217.4100 29.11647 11.63322 26.22589 11.18601 2.890585 
16.13873 
1 1 1 26  21  14 o 38.27942 9.155290  411.2191       178.9597 319.0957       
262.7954 490.8844       244.3811 34.69822 13.13728 41.86062 12.75497 -7.162403 
18.31058 
1 1 1 26  21  15 o 25.03205 7.800443  5.108614       160.9139 153.0742       
246.5108 -104.7523      212.4110 28.92166 12.10281 21.14243 9.844267 7.779228 
15.60089 
1 1 1 26  21  16 f 48.09043 9.026032  649.7073       185.5780 709.3694       
268.1972 594.9010       257.0513 50.38957 12.67862 45.79130 12.85028 4.598270 
18.05206 
1 1 1 26  21  17 o 23.74297 7.687073  -44.00500      173.1323 -90.57738      
249.4232 -0.7009636     240.5120 22.99550 10.69179 24.49045 11.04762 -1.494949 
15.37415 
1 1 1 26  21  18 o 28.80406 8.659916  151.7562       184.2009 198.1320       
246.4649 93.07519       277.2415 29.86836 12.26389 27.73976 12.23002 2.128607 
17.31983 
1 1 1 26  21  19 o 32.08090 8.586028  221.1642       179.5629 -28.72454      
251.1304 482.5583       256.8466 24.04709 10.99892 40.11470 13.18724 -16.06761 
17.17206 
1 1 1 26  21  20 o 26.59078 11.69637  90.00848       252.0982 90.00848       
252.0982 0.000000       0.000000 26.59078 11.69637 ?        ?        ? ? 
1 1 1 26  21  21 o 28.10382 8.436309  119.3089       182.7524 318.1439       
263.4103 -65.22623      253.7616 33.10873 12.99890 23.09891 10.75703 10.00982 
16.87262 
1 1 1 26  21  22 o 24.07340 7.608617  -20.54761      173.3134 -302.7757      
266.1129 187.3420       228.3927 19.84244 9.688733 28.30435 11.73425 -8.461910 
15.21723 
1 1 1 26  21  23 f 28.61351 8.469775  182.7559       173.3512 315.2169       
258.0788 73.86116       233.9978 32.25763 12.80239 24.96940 11.09266 7.288229 
16.93955 
1 1 1 26  21  24 o 20.77218 7.040300  -174.3681      178.1707 -75.79116      
255.6656 -267.4465      248.4330 22.32649 10.50163 19.21786 9.379711 3.108624 
14.08060 
1 1 1 26  21  25 o 28.16217 8.458657  92.80377       193.7472 -216.7563      
257.7979 494.5857       293.6988 20.00654 9.717686 36.31781 13.84782 -16.31127 
16.91731 
1 1 1 26  21  26 o 21.55374 7.214612  -56.03487      170.5319 0.3564907      
260.4115 -98.37405      225.6447 22.93932 10.74915 20.16816 9.625916 2.771162 
14.42922 
1 1 1 26  21  27 o 22.43184 7.587377  -110.1754      208.2183 211.0037       
302.5292 -399.2548      287.0134 26.58348 12.12597 18.28021 9.123273 8.303267 
15.17475 
1 1 1 26  21  28 o 24.31433 6.913800  168.0654       130.5900 -317.2248      
315.3064 268.5460       143.4740 19.47762 9.698483 29.15104 9.856061 -9.673420 
13.82760 
1 1 1 26  22  0  o 30.72224 8.399673  260.1142       154.8705 330.7149       
227.6481 199.2873       211.3040 33.18428 12.30087 28.26020 11.44145 4.924084 
16.79935 
1 1 1 26  22  1  o 30.35136 8.386195  246.8351       154.0383 270.9680       
229.6416 227.0947       207.6941 31.21379 12.16164 29.48893 11.55022 1.724855 
16.77239 
1 1 1 26  22  2  o 22.12191 7.143632  -78.33605      150.5760 110.7720       
228.6110 -223.2394      200.1157 26.30461 11.35116 17.93921 8.676241 8.365395 
14.28726 
1 1 1 26  22  3  o 41.25256 8.474569  488.8603       155.0719 474.2407       
237.0587 499.7956       205.0226 40.00971 12.63700 42.49542 11.29512 -2.485706 
16.94914 
1 1 1 26  22  4  o 42.01355 7.973627  476.0746       143.0467 564.6254       
218.5740 409.7323       189.1898 45.30295 11.47403 38.72415 11.07526 6.578800 
15.94725 
1 1 1 26  22  5  o 24.39759 7.464788  63.26046       141.0853 -14.33601      
228.0473 111.3769       179.5770 23.52341 10.67570 25.27176 10.43655 -1.748354 
14.92958 
1 1 1 26  22  6  o 31.62416 8.231420  252.3360       145.3647 185.3247       
198.8563 329.2388       213.0279 28.60730 11.27435 34.64103 11.99642 -6.033728 
16.46284 
1 1 1 26  22  7  o 35.86889 8.712686  348.2869       157.8130 428.7248       
242.5136 289.2061       207.8397 38.69912 12.81401 33.03865 11.80867 5.660477 
17.42537 
1 1 1 26  22  8  f 22.56797 7.432409  -114.6567      160.6142 -188.9549      
198.0718 27.99983       274.4602 18.72234 8.955563 26.41360 11.86426 -7.691257 
14.86482 
1 1 1 26  22  9  o 31.04972 9.127910  181.9993       195.5998 338.3374       
304.8371 72.58306       255.0211 35.21001 13.93287 26.88942 11.79619 8.320595 
18.25582 
1 1 1 26  22  10 o 33.42365 9.172462  288.5385       183.2068 286.4107       
278.9116 290.1532       242.9768 33.48791 13.30328 33.35940 12.63167 0.1285057 
18.34492 
1 1 1 26  22  11 o 29.00514 8.743961  103.8906       161.7321 308.5922       
332.6959 40.54649       185.0717 34.61575 14.23688 23.39453 10.15572 11.22122 
17.48792 
1 1 1 26  22  12 o 34.64982 8.936035  250.7921       164.3121 557.9975       
296.3486 114.4302       197.4399 43.05112 14.16506 26.24852 10.89780 16.80260 
17.87207 
1 1 1 26  22  13 o 41.38611 9.220323  501.7725       185.6319 373.0222       
283.3604 598.5704       245.6960 36.32977 13.67242 46.44245 12.37426 -10.11269 
18.44065 
1 1 1 26  22  14 o 20.63793 6.869265  -136.9026      150.5276 -93.55769      
231.1766 -168.8065      198.3338 22.19055 10.30819 19.08531 9.082316 3.105236 
13.73853 
1 1 1 26  22  15 o 39.17815 8.852544  424.8422       173.3163 262.1875       
239.1926 604.6398       251.4816 32.09568 12.43112 46.26062 12.60704 -14.16493 
17.70509 
1 1 1 26  22  16 o 31.64962 8.574472  230.9270       173.1001 45.21167       
249.8306 402.4036       240.0625 25.82767 11.46940 37.47156 12.74909 -11.64389 
17.14894 
1 1 1 26  22  17 f 23.31095 7.542851  -60.00602      169.3036 67.32603       
237.8311 -190.8240      241.0646 25.87508 11.37118 20.74681 9.913356 5.128269 
15.08570 
1 1 1 26  22  18 o 38.19504 8.911928  410.4508       178.7865 625.6340       
259.3295 215.5290       246.8187 46.20800 12.88763 30.18208 12.31255 16.02592 
17.82386 
1 1 1 26  22  19 o 25.20597 7.795796  -21.16907      173.5955 250.3747       
245.0053 -294.9219      245.9999 31.09392 12.43069 19.31803 9.411467 11.77589 
15.59159 
1 1 1 26  22  20 o 25.84879 8.001564  28.95047       178.4794 244.3498       
249.6670 -196.1746      255.2412 30.68919 12.43187 21.00839 10.07714 9.680801 
16.00313 
1 1 1 26  22  21 o 28.60217 12.16705  180.3267       256.0054 0.000000       
0.000000 180.3267       256.0054 ?        ?        28.60217 12.16705 ? ? 
1 1 1 26  22  22 o 21.48329 10.03491  -70.18992      222.9551 -70.18992      
222.9551 0.000000       0.000000 21.48329 10.03491 ?        ?        ? ? 
1 1 1 26  22  23 o 24.06219 7.770175  4.077994       178.0437 -120.7808      
253.1260 126.3387       250.4786 21.60199 10.27070 26.52240 11.66256 -4.920410 
15.54035 
1 1 1 26  22  24 o 22.38994 7.464588  -66.32548      181.7114 -27.91380      
254.4677 -106.2916      259.5655 22.97156 10.72643 21.80831 10.38384 1.163252 
14.92918 
1 1 1 26  22  25 o 28.02600 8.615197  211.9429       191.7722 284.9488       
261.9088 127.5640       281.5711 29.87552 12.48677 26.17649 11.87296 3.699034 
17.23039 
1 1 1 26  22  26 o 22.86702 7.701215  -34.61913      204.5566 24.49962       
298.0175 -87.28416      281.2809 23.87737 11.26229 21.85667 10.50693 2.020700 
15.40243 
1 1 1 26  22  27 o 20.15109 6.852980  -42.04609      132.5412 18.15549       
306.7844 -55.86161      146.9647 23.22429 11.11775 17.07789 8.015552 6.146400 
13.70596 
1 1 1 26  22  28 o 24.16638 7.863577  61.05483       137.0069 458.4414       
325.9709 -24.20779      150.9912 30.47374 13.35278 17.85902 8.309428 12.61472 
15.72715 
1 1 1 26  23  0  o 30.90902 7.295210  263.2376       113.3654 192.8828       
155.4647 343.1293       165.6669 27.12396 10.14313 34.69408 10.48796 -7.570124 
14.59042 
1 1 1 26  23  1  f 33.04010 8.319676  323.8665       145.6841 297.6601       
201.8726 352.3477       210.4520 31.92645 11.61526 34.15375 11.91443 -2.227295 
16.63935 
1 1 1 26  23  2  o 34.52282 7.627636  321.6955       153.8125 4.718241       
229.2314 581.2823       207.4442 23.36057 10.62877 45.68507 10.94315 -22.32450 
15.25527 
1 1 1 26  23  3  o 28.74328 7.868442  202.4946       137.6172 280.0902       
199.0540 131.4472       190.4699 31.69019 11.53344 25.79637 10.70650 5.893818 
15.73688 
1 1 1 26  23  4  o 24.22998 7.461509  19.23778       147.9522 197.9473       
223.4015 -120.3824      197.4632 28.87051 11.73517 19.58944 9.218579 9.281076 
14.92302 
1 1 1 26  23  5  o 24.69947 7.454850  33.92469       137.6752 233.1763       
223.8567 -87.28929      174.6005 30.27155 11.95198 19.12739 8.913433 11.14416 
14.90970 
1 1 1 26  23  6  o 25.78888 7.471868  76.13321       141.0807 -100.3432      
196.3633 264.4248       202.8302 20.06578 9.390150 31.51197 11.62499 -11.44619 
14.94374 
1 1 1 26  23  7  o 33.49245 8.154969  287.2846       169.3096 -41.94027      
267.1851 508.1882       218.8605 24.38317 11.23250 42.60174 11.82561 -18.21857 
16.30994 
1 1 1 26  23  8  o 45.53325 9.667326  623.7191       199.4661 698.9238       
293.9303 559.5212       271.5700 48.00450 13.82928 43.06200 13.51221 4.942497 
19.33465 
1 1 1 26  23  9  o 27.59233 8.554399  96.99017       189.3538 120.4065       
274.8207 75.82661       261.2666 28.31516 12.33476 26.86950 11.85600 1.445663 
17.10880 
1 1 1 26  23  10 o 31.49216 9.274921  210.7833       201.9450 347.5735       
312.8152 113.0369       264.4301 35.07382 14.03588 27.91051 12.12810 7.163305 
18.54984 
1 1 1 26  23  11 o 23.24768 7.603118  -63.49970      168.0907 -45.00100      
282.0165 -73.69244      209.3385 25.03765 11.53630 21.45771 9.906734 3.579945 
15.20624 
1 1 1 26  23  12 o 42.12875 9.391238  508.9472       179.1796 588.6804       
306.1682 467.4137       220.9732 43.39122 14.39782 40.86628 12.06168 2.524940 
18.78248 
1 1 1 26  23  13 o 33.59347 9.517129  294.1519       193.9113 320.4604       
355.3824 282.9985       231.3925 34.52033 14.49289 32.66661 12.33933 1.853722 
19.03426 
1 1 1 26  23  14 o 32.28736 8.153943  268.0708       152.7878 95.61499       
230.4407 403.3525       204.0986 26.42039 11.39875 38.15432 11.66257 -11.73393 
16.30789 
1 1 1 26  23  15 o 28.99318 8.105502  91.49488       163.8152 419.9473       
253.9950 -142.4389      214.3559 37.72636 13.09593 20.25999 9.554747 17.46637 
16.21100 
1 1 1 26  23  16 o 39.98524 9.106091  472.9102       174.0945 445.5998       
248.1960 499.3623       244.2648 38.76524 12.96326 41.20523 12.79208 -2.439991 
18.21218 
1 1 1 26  23  17 o 23.73297 7.623664  -49.02364      169.9605 121.1786       
247.3909 -201.1651      233.8972 27.33882 11.80295 20.12713 9.652531 7.211691 
15.24733 
1 1 1 26  23  18 o 23.90309 7.691018  -23.66619      172.0387 84.77370       
246.7162 -126.3002      240.0208 26.25659 11.56000 21.54959 10.14758 4.707003 
15.38204 
1 1 1 26  23  19 o 25.47036 7.992050  52.97447       173.8419 -46.55796      
248.7460 148.0024       243.0521 23.27494 10.76604 27.66578 11.81456 -4.390848 
15.98410 
1 1 1 26  23  20 f 22.91233 7.504275  -57.04700      172.3016 -150.9795      
241.4024 40.50167       246.0052 20.97841 9.999230 24.84626 11.19250 -3.867849 
15.00855 
1 1 1 26  23  21 o 23.52913 7.655020  -35.81170      177.2371 92.77132       
252.1831 -161.3169      249.1467 26.04368 11.54957 21.01457 10.05011 5.029112 
15.31004 
1 1 1 26  23  22 o 37.97712 8.718019  460.8146       172.9453 608.7186       
232.2815 276.8307       259.0685 45.06891 12.04237 30.88533 12.60939 14.18357 
17.43604 
1 1 1 26  23  23 o 26.68226 11.60957  147.9631       242.8988 0.000000       
0.000000 147.9631       242.8988 ?        ?        26.68226 11.60957 ? ? 
1 1 1 26  23  24 o 28.13804 7.937391  148.2509       158.1036 440.4770       
239.3159 -78.07330      210.6093 35.99569 12.69075 20.28038 9.536955 15.71531 
15.87478 
1 1 1 26  23  25 o 23.51657 7.783274  -16.70091      198.6846 -209.3893      
290.6434 152.3396       272.2251 20.83987 10.16666 26.19328 11.78798 -5.353416 
15.56655 
1 1 1 26  23  26 o 35.93832 8.741956  421.3864       138.4609 626.7568       
325.6465 376.0652       152.9776 36.45206 14.40809 35.42456 9.904250 1.027500 
17.48391 
1 1 1 26  23  27 o 24.27053 7.792803  105.9153       132.9657 350.7433       
322.2175 55.66779       145.9741 28.56262 12.84116 19.97844 8.832656 8.584181 
15.58561 
1 1 1 26  24  0  o 18.07141 5.902251  -66.15858      109.1359 31.51807       
149.8330 -176.5448      159.2830 20.25348 8.952168 15.88934 7.694477 4.364133 
11.80450 
1 1 1 26  24  1  o 23.77618 7.429626  72.54404       147.1001 21.08675       
215.3925 117.5222       201.3761 22.71173 10.32537 24.84063 10.68569 -2.128904 
14.85925 
1 1 1 26  24  2  o 25.93685 8.066741  103.6227       160.2538 197.1565       
279.3629 57.74888       195.6443 28.67354 12.46285 23.20016 10.24532 5.473372 
16.13348 
1 1 1 26  24  3  o 34.26872 8.378087  355.5238       148.5692 305.3708       
228.2711 392.3815       195.6891 32.04507 12.21133 36.49236 11.47401 -4.447289 
16.75617 
1 1 1 26  24  4  o 27.80387 7.543775  136.1550       149.4976 -155.5188      
223.7502 371.3659       200.9293 20.04177 9.570313 35.56597 11.66376 -15.52419 
15.08755 
1 1 1 26  24  5  f 28.05241 7.945728  164.8990       149.6683 309.2978       
216.3648 32.40387       207.2549 32.76321 12.01463 23.34161 10.40130 9.421593 
15.89146 
1 1 1 26  24  6  o 23.97578 7.709683  -190.7624      164.8899 299.5406       
293.2890 -417.3600      199.3844 32.55241 13.37416 15.39915 7.673903 17.15326 
15.41937 
1 1 1 26  24  7  o 54.65341 8.449258  865.7266       186.6328 725.4423       
307.3148 947.6978       234.9145 47.48133 14.27066 61.82549 9.050308 -14.34416 
16.89852 
1 1 1 26  24  8  o 28.47015 8.345665  107.1046       179.0169 364.9638       
261.0277 -121.8782      245.9783 35.04939 13.13596 21.89090 10.29792 13.15849 
16.69133 
1 1 1 26  24  9  o 23.58725 7.803332  -88.41747      191.7734 -107.5704      
258.0455 -64.78864      286.6159 22.68217 10.64148 24.49232 11.41608 -1.810148 
15.60666 
1 1 1 26  24  10 o 23.62926 7.616218  -13.90278      163.8367 -26.09595      
265.0511 -6.363101      208.4241 24.51464 11.24900 22.74387 10.27069 1.770765 
15.23244 
1 1 1 26  24  11 o 25.39508 8.135774  24.01182       160.9922 107.3745       
330.3965 -1.943827      184.3595 28.99545 13.02076 21.79470 9.758235 7.200745 
16.27155 
1 1 1 26  24  12 o 26.72869 8.159290  85.14191       153.9772 226.1399       
281.6583 25.04171       183.8883 30.91916 12.93767 22.53822 9.945483 8.380949 
16.31858 
1 1 1 26  24  13 o 33.13695 9.144970  292.2490       179.9678 386.1953       
290.5521 233.7703       229.2362 35.77769 13.73510 30.49620 12.07762 5.281483 
18.28994 
1 1 1 26  24  14 o 23.89530 7.194116  -25.55726      151.3109 -369.3941      
231.5399 230.7333       199.9014 17.73022 8.732265 30.06038 11.43542 -12.33016 
14.38823 
1 1 1 26  24  15 o 25.68160 7.892910  82.03666       160.4846 15.06936       
235.5331 140.0695       219.2589 24.25620 10.93781 27.10699 11.38228 -2.850796 
15.78582 
1 1 1 26  24  16 o 25.89100 8.101492  59.18947       179.4485 -83.75144      
278.8494 160.2305       234.4446 23.79074 11.14365 27.99127 11.76247 -4.200529 
16.20298 
1 1 1 26  24  17 o 31.39270 8.740493  259.3911       172.2483 351.1456       
246.1893 171.4035       241.0827 34.44509 12.78724 28.34031 11.91936 6.104776 
17.48099 
1 1 1 26  24  18 o 28.24900 8.415679  165.1829       172.9382 83.14389       
244.6931 247.0591       244.4501 25.91475 11.44920 30.58325 12.33736 -4.668497 
16.83136 
1 1 1 26  24  19 o 26.37786 8.103874  114.3707       168.2171 150.6180       
227.5276 70.67186       249.8220 27.15620 11.50783 25.59953 11.41319 1.556662 
16.20775 
1 1 1 26  24  20 o 23.70679 7.587674  -37.80272      164.3369 -198.3938      
214.8253 188.7531       255.1598 18.88149 9.102408 28.53209 12.14238 -9.650597 
15.17535 
1 1 1 26  24  21 o 29.68891 8.631223  234.3719       172.2892 182.4250       
230.7151 299.8596       259.0456 27.76915 11.66881 31.60867 12.72128 -3.839520 
17.26245 
1 1 1 26  24  22 o 25.71568 8.022844  110.6679       167.8474 98.90598       
221.9893 126.3676       256.4713 24.98711 10.98342 26.44425 11.69738 -1.457138 
16.04569 
1 1 1 26  24  23 o 29.59348 8.067349  191.6249       165.0556 -75.88146      
227.7090 487.7786       239.5917 21.05280 9.904954 38.13416 12.73658 -17.08136 
16.13470 
1 1 1 26  24  24 o 24.41122 7.637571  82.77611       101.7699 280.7231       
311.1425 59.06182       107.6936 29.54445 12.99485 19.27800 8.028937 10.26645 
15.27514 
1 1 1 26  24  25 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 26  24  26 o 17.85222 6.146780  -81.20292      108.9033 -123.1909      
275.2279 -73.40874      118.5811 20.66245 10.03771 15.04199 7.097611 5.620469 
12.29356 
1 1 1 26  24  27 o 22.35192 7.284787  58.71477       101.3897 289.5585       
313.6135 31.77088       107.1435 27.20532 12.39252 17.49852 7.661456 9.706802 
14.56957 
1 1 1 26  25  0  o 23.54068 7.040530  54.31894       125.6243 306.0569       
203.5070 -100.6646      159.6790 30.07678 11.50992 17.00458 8.111598 13.07220 
14.08106 
1 1 1 26  25  1  o 22.03611 7.120621  -30.07031      166.0609 -495.2529      
311.9391 153.8966       196.1679 18.80825 9.404123 25.26397 10.69465 -6.455719 
14.24124 
1 1 1 26  25  2  o 28.03737 8.276896  217.1956       166.0754 116.1878       
281.1371 271.3359       205.8264 26.16449 11.86585 29.91024 11.54251 -3.745750 
16.55379 
1 1 1 26  25  3  o 26.66145 7.775424  172.2775       136.9613 178.2605       
232.1984 169.0853       169.6083 27.24863 11.58928 26.07426 10.36906 1.174374 
15.55085 
1 1 1 26  25  4  o 30.30556 7.883385  260.0351       133.0288 214.5307       
184.7091 309.0751       191.7508 28.27067 10.92928 32.34045 11.36407 -4.069780 
15.76677 
1 1 1 26  25  5  o 25.52725 7.906030  104.6378       159.5027 18.05491       
284.6434 144.2696       192.5781 25.13444 11.58432 25.92006 10.76219 
-0.7856216     15.81206 
1 1 1 26  25  6  o 22.80605 7.536272  -53.56108      174.4716 -131.9668      
298.8689 -13.02776      214.8884 23.23897 11.08838 22.37313 10.20928 0.8658371 
15.07254 
1 1 1 26  25  7  o 37.37166 8.434674  428.9322       186.1593 48.66716       
296.3241 676.8630       239.2704 26.32423 12.00589 48.41908 11.85046 -22.09485 
16.86935 
1 1 1 26  25  8  o 25.70816 8.170616  43.57743       185.4790 -55.49552      
253.8368 157.0732       271.6859 23.14462 10.77071 28.27169 12.28934 -5.127075 
16.34123 
1 1 1 26  25  9  o 29.61894 8.923707  197.6080       199.1092 275.1366       
268.4733 102.8422       296.8221 31.60424 12.85850 27.63364 12.37697 3.970596 
17.84741 
1 1 1 26  25  10 o 20.65670 6.904751  -164.0410      165.3528 -406.9471      
265.7092 -10.51692      211.2397 18.77579 9.264532 22.53761 10.24064 -3.761814 
13.80950 
1 1 1 26  25  11 o 26.09875 8.110868  96.39386       156.6303 75.81882       
311.6414 103.3478       181.1759 27.53804 12.49068 24.65946 10.35025 2.878586 
16.22174 
1 1 1 26  25  12 o 32.89284 8.707771  309.0768       158.5695 258.4146       
302.4164 328.2871       186.2220 31.54441 13.31224 34.24128 11.22878 -2.696869 
17.41554 
1 1 1 26  25  13 o 29.32224 8.352668  183.5717       178.1494 -80.91844      
284.0300 355.1061       228.7363 23.89955 11.20393 34.74494 12.39113 -10.84539 
16.70534 
1 1 1 26  25  14 o 31.18361 8.885410  257.1661       176.3054 294.0553       
277.9050 232.3188       228.0801 32.32718 13.10757 30.04005 11.99973 2.287123 
17.77082 
1 1 1 26  25  15 o 28.78970 7.943922  116.3666       160.3887 427.3813       
238.5500 -140.2177      216.6726 37.46458 12.70886 20.11482 9.534593 17.34977 
15.88784 
1 1 1 26  25  16 o 41.48450 8.829739  498.8859       175.8852 758.5889       
267.6888 301.5936       233.3172 50.58950 12.62906 32.37951 12.34358 18.20999 
17.65948 
1 1 1 26  25  17 o 28.20029 8.019845  105.2164       167.6111 -166.8091      
231.5051 404.8955       242.9875 20.25837 9.688291 36.14221 12.78314 -15.88384 
16.03969 
1 1 1 26  25  18 o 33.34206 8.664444  334.7649       163.5991 397.2928       
217.4525 253.2121       248.3401 36.25303 12.13386 30.43110 12.37173 5.821934 
17.32889 
1 1 1 26  25  19 o 30.99204 8.794151  274.0496       171.3351 270.9623       
213.8367 279.5856       286.3506 30.79334 11.79427 31.19075 13.04774 
-0.3974075     17.58830 
1 1 1 26  25  20 o 25.98916 8.027261  115.4735       164.1346 77.75256       
217.2162 165.6747       250.5866 24.45523 10.79801 27.52310 11.88068 -3.067869 
16.05452 
1 1 1 26  25  21 o 19.38885 6.682075  -252.3908      175.7568 -147.8736      
221.6720 -429.3187      288.4132 19.75917 9.456925 19.01852 9.442830 0.7406559 
13.36415 
1 1 1 26  25  22 o 27.07285 8.284681  171.0279       175.2168 107.2748       
257.0245 226.3796       239.4914 25.63568 11.49884 28.51002 11.92982 -2.874331 
16.56936 
1 1 1 26  25  23 o 28.83345 8.355725  188.5387       115.0129 437.7716       
342.0303 156.7640       122.1245 33.06406 14.06424 24.60284 9.026057 8.461220 
16.71145 
1 1 1 26  25  24 o 21.58945 6.956803  55.56271       113.8882 -109.6044      
325.6940 78.57198       121.5624 22.69235 10.99127 20.48655 8.531145 2.205799 
13.91361 
1 1 1 26  25  25 o 22.69813 7.370830  73.33001       115.8808 161.5516       
335.4668 61.37688       123.4818 25.82964 12.12086 19.56661 8.390546 6.263027 
14.74166 
1 1 1 26  25  26 o 21.89106 7.352474  16.42148       115.5774 278.7701       
340.1673 -17.81686      122.8880 27.08358 12.55153 16.69853 7.661233 10.38504 
14.70495 
1 1 1 26  26  0  o 21.45419 6.674671  86.32767       116.2429 83.26865       
175.4399 88.72157       155.1991 21.61311 9.602869 21.29527 9.273070 0.3178406 
13.34934 
1 1 1 26  26  1  o 18.56600 6.276619  -97.60683      137.7162 -59.21045      
203.1809 -130.2378      187.3064 19.50746 9.240214 17.62454 8.497190 1.882919 
12.55324 
1 1 1 26  26  2  o 24.51450 7.414419  144.9057       135.4247 142.9888       
184.0580 147.1682       199.9686 24.33199 10.33259 24.69700 10.63636 
-0.3650093     14.82884 
1 1 1 26  26  3  o 20.13560 6.490289  -1.168981      121.6974 -34.22525      
182.7400 25.17519       163.1357 19.80129 9.185440 20.46992 9.171864 
-0.6686325     12.98058 
1 1 1 26  26  4  o 22.22358 6.849360  45.80655       123.9912 156.1855       
179.4544 -55.02184      171.5151 25.44830 10.45951 18.99886 8.846104 6.449440 
13.69872 
1 1 1 26  26  5  o 31.20439 7.986836  290.8151       135.1786 260.9872       
190.7840 320.8865       191.5614 29.89236 11.22490 32.51642 11.36485 -2.624060 
15.97367 
1 1 1 26  26  6  o 23.95794 7.347186  16.52783       146.6933 -174.9722      
197.5396 251.9664       219.0324 18.21165 8.766969 29.70424 11.79257 -11.49259 
14.69437 
1 1 1 26  26  7  o 45.08659 9.485061  698.8885       205.9482 504.6037       
314.0813 845.4325       272.7764 37.29803 14.29152 52.87514 12.47470 -15.57711 
18.97012 
1 1 1 26  26  8  o 28.37290 8.809675  166.2884       201.1731 236.6026       
302.5661 110.5738       269.3291 30.09735 13.02415 26.64845 11.86646 3.448895 
17.61935 
1 1 1 26  26  9  o 28.24588 8.866055  149.4607       209.1386 211.8552       
309.3018 96.90639       283.8658 29.73003 13.01705 26.76173 12.04094 2.968302 
17.73211 
1 1 1 26  26  10 o 25.94723 7.926207  113.7553       161.2157 14.34877       
260.5113 175.4529       205.2358 24.53073 11.21277 27.36373 11.20593 -2.832998 
15.85241 
1 1 1 26  26  11 o 23.59497 7.486816  10.08928       154.6980 137.0653       
234.0903 -88.35696      206.1210 26.77134 11.51867 20.41861 9.567121 6.352736 
14.97363 
1 1 1 26  26  12 f 22.21986 7.233283  -46.07063      158.7135 -151.5673      
230.5570 48.95220       218.8129 20.40389 9.736447 24.03584 10.69968 -3.631948 
14.46657 
1 1 1 26  26  13 o 26.19969 8.117197  85.89608       172.1138 -17.12738      
229.9386 217.1676       259.5549 22.90904 10.49767 29.49034 12.38364 -6.581291 
16.23439 
1 1 1 26  26  14 o 20.93559 6.985129  -116.6530      162.0474 -110.4764      
236.1682 -122.1481      222.7585 21.32325 10.04825 20.54792 9.705711 0.7753258 
13.97026 
1 1 1 26  26  15 o 29.58519 8.076666  197.7496       161.7297 -33.85990      
234.6778 407.2475       223.1947 22.68400 10.47911 36.48639 12.29303 -13.80239 
16.15333 
1 1 1 26  26  16 o 24.77603 7.753946  56.87654       161.6010 -38.42184      
221.1829 165.9968       236.6800 22.02406 10.17390 27.52801 11.70412 -5.503956 
15.50789 
1 1 1 26  26  17 o 25.86898 7.733914  72.35699       155.6325 -113.3720      
209.8921 299.1799       231.9528 20.01152 9.442602 31.72643 12.25116 -11.71491 
15.46783 
1 1 1 26  26  18 o 22.75198 7.357374  -5.573274      159.8274 49.99136       
211.7465 -79.14807      243.6585 23.56077 10.50578 21.94319 10.30303 1.617580 
14.71475 
1 1 1 26  26  19 o 24.20918 7.665437  62.57816       159.9477 81.04723       
211.2602 37.77187       244.8363 24.24908 10.68546 24.16928 10.99348 
0.7979965E-01  15.33087 
1 1 1 26  26  20 o 19.92305 6.767869  -157.0725      161.6234 -186.1195      
214.7502 -119.1256      245.4547 18.75420 9.055730 21.09190 10.06031 -2.337698 
13.53574 
1 1 1 26  26  21 o 24.60938 7.953549  56.16114       186.6232 -21.66464      
283.3496 115.7873       248.0158 23.66634 11.11182 25.55242 11.38258 -1.886072 
15.90710 
1 1 1 26  26  22 o 22.15613 7.140787  55.29575       113.4344 -32.84379      
321.6418 67.81559       121.2234 24.08025 11.49295 20.23201 8.477935 3.848234 
14.28157 
1 1 1 26  26  23 o 40.54509 8.796659  459.0652       129.4036 829.3554       
341.8017 397.1106       139.8106 43.10399 15.16968 37.98619 8.910985 5.117798 
17.59332 
1 1 1 26  26  24 o 26.12288 8.210081  47.10745       116.1366 638.4680       
343.7352 -29.09770      123.3929 35.67481 14.53790 16.57096 7.633557 19.10385 
16.42016 
1 1 1 26  26  25 o 21.96833 7.206367  66.12124       116.3223 98.36652       
341.8036 61.89749       123.7063 24.52087 11.73764 19.41580 8.363891 5.105068 
14.41273 
1 1 1 26  26  26 o 19.41040 6.691928  -58.15813      112.3719 103.6148       
307.3860 -83.11305      120.7283 23.99048 11.36448 14.83032 7.069383 9.160160 
13.38386 
1 1 1 26  27  1  o 18.77951 6.311503  -59.10207      135.7471 -72.86037      
191.7379 -45.27541      192.2136 18.51876 8.846919 19.04025 9.004017 
-0.5214939     12.62301 
1 1 1 26  27  2  o 25.85065 7.504800  209.6304       132.8819 254.6142       
178.7399 154.0470       198.6852 27.61889 10.73593 24.08242 10.48942 3.536463 
15.00960 
1 1 1 26  27  3  o 36.73080 7.762564  436.9192       134.3160 587.0921       
197.7579 308.3206       183.0021 43.18132 10.90043 30.28028 11.05488 12.90104 
15.52513 
1 1 1 26  27  4  o 20.80552 6.706664  -9.058331      134.8619 -146.8265      
191.6823 125.9874       189.7789 17.76050 8.570880 23.85053 10.31782 -6.090031 
13.41333 
1 1 1 26  27  5  o 20.43837 6.575902  -45.40891      133.3477 -238.2564      
193.5682 128.7736       183.9625 16.68773 8.174773 24.18902 10.30257 -7.501289 
13.15180 
1 1 1 26  27  6  o 21.15220 6.817935  -2.288699      136.6353 -77.67353      
198.9046 65.06975       188.0177 19.68741 9.261031 22.61699 10.00851 -2.929581 
13.63587 
1 1 1 26  27  7  o 31.92254 7.514678  250.2827       137.6478 27.68165       
182.6016 543.2444       209.4818 21.55272 9.679171 42.29236 11.49762 -20.73964 
15.02936 
1 1 1 26  27  8  o 29.66721 8.928757  253.2569       194.5141 289.1933       
287.6958 222.9969       263.9983 30.59641 12.95169 28.73802 12.29408 1.858391 
17.85751 
1 1 1 26  27  9  o 27.68456 8.572882  171.6965       191.0678 202.5296       
265.9433 138.8018       274.6904 28.39452 12.24786 26.97460 11.99863 1.419928 
17.14576 
1 1 1 26  27  10 o 28.74046 8.310276  196.7051       157.8385 350.6838       
253.2215 98.86647       201.8485 33.00524 12.78902 24.47568 10.61526 8.529564 
16.62055 
1 1 1 26  27  11 o 34.71226 8.793509  349.7043       162.7342 554.9770       
263.4569 223.0684       206.9296 40.71196 13.35585 28.71256 11.44222 11.99940 
17.58702 
1 1 1 26  27  12 o 27.44892 8.106736  170.2438       158.3240 262.8718       
227.7820 83.66594       220.2175 30.24094 12.01945 24.65690 10.88161 5.584036 
16.21347 
1 1 1 26  27  13 f 27.84063 8.227196  169.6827       170.7351 307.0705       
233.0623 10.55255       250.8270 31.80062 12.28030 23.88065 10.95177 7.919973 
16.45439 
1 1 1 26  27  14 o 32.46294 8.516811  288.0820       178.9418 536.3420       
247.1280 14.45851       259.4450 40.72289 12.90671 24.20300 11.11581 16.51988 
17.03362 
1 1 1 26  27  15 o 24.47552 7.537505  82.19164       148.8822 165.6485       
207.4983 -6.364025      213.7429 26.72423 11.13838 22.22682 10.15837 4.497410 
15.07501 
1 1 1 26  27  16 o 23.67485 7.700521  5.589032       175.9009 -19.25282      
236.6072 36.28305       263.0043 22.71384 10.50403 24.63585 11.26310 -1.922014 
15.40104 
1 1 1 26  27  17 o 25.82057 8.013030  121.8766       166.7959 110.6645       
237.0737 132.8666       234.7141 25.56185 11.28446 26.07930 11.37961 
-0.5174465     16.02606 
1 1 1 26  27  18 o 21.33945 7.063375  -55.69846      157.7981 -51.27431      
212.3142 -61.15823      235.8587 20.99264 9.800601 21.68627 10.17415 
-0.6936226     14.12675 
1 1 1 26  27  19 o 21.78545 7.251333  -65.68454      173.0034 -73.01289      
247.2251 -58.65219      242.1805 21.75203 10.25922 21.81886 10.25064 
-0.6682587E-01 14.50267 
1 1 1 26  27  20 o 21.96577 10.63797  -448.7719      126.5347 -168.9447      
304.7193 -507.0769      139.0939 21.96577 10.63797 ?        ?        ? ? 
1 1 1 26  27  21 o 30.28922 8.981102  320.2859       201.8359 182.3869       
323.1252 408.5143       258.4607 27.30536 12.48384 33.27307 12.91490 -5.967709 
17.96220 
1 1 1 26  27  22 o 27.14291 8.277589  160.7023       126.7738 451.7180       
337.6364 112.9412       136.7818 32.00922 13.80362 22.27660 9.139689 9.732616 
16.55518 
1 1 1 26  27  23 o 18.43868 6.420624  -83.73789      112.1936 -157.0161      
333.0195 -74.35595      119.1595 21.78402 10.68672 15.09335 7.119808 6.690674 
12.84125 
1 1 1 26  27  24 o 24.20447 7.844475  65.22710       114.1192 471.4575       
338.8136 13.24379       121.2011 30.83127 13.56062 17.57767 7.890041 13.25360 
15.68895 
1 1 1 26  27  25 f 21.07613 6.873190  38.93990       107.0787 175.1906       
265.4107 12.45112       117.0254 24.88070 11.35153 17.27157 7.752782 7.609121 
13.74638 
1 1 1 26  28  3  o 23.67809 7.293522  148.8543       135.4084 141.2591       
213.8572 153.9370       174.9438 23.68887 10.56059 23.66731 10.06259 
0.2156067E-01  14.58704 
1 1 1 26  28  4  f 21.34507 6.801031  38.41595       133.3940 174.4541       
191.0401 -91.01470      186.3429 24.60761 10.49042 18.08254 8.658356 6.525068 
13.60206 
1 1 1 26  28  5  o 25.29361 7.468659  182.7917       136.2228 101.7232       
201.4903 251.0423       184.8763 22.91976 10.23329 27.66745 10.88132 -4.747690 
14.93732 
1 1 1 26  28  6  o 18.22670 6.115129  -105.7302      129.4413 8.122252       
179.8755 -228.0116      186.4150 20.22842 9.275795 16.22499 7.971127 4.003439 
12.23026 
1 1 1 26  28  7  o 24.06224 7.487107  109.4235       144.8943 186.8611       
224.1393 53.83091       189.9112 26.20514 11.27308 21.91934 9.856203 4.285797 
14.97421 
1 1 1 26  28  8  o 26.02073 7.643239  163.7188       148.8096 -3.725820      
230.2355 283.8566       195.0189 22.07390 10.26677 29.96755 11.32563 -7.893654 
15.28648 
1 1 1 26  28  9  o 22.96095 7.272655  27.37338       134.1054 209.6042       
240.2050 -55.14851      161.6426 27.54206 11.75292 18.37984 8.569416 9.162224 
14.54531 
1 1 1 26  28  10 o 32.18726 8.975565  346.9639       184.9440 222.5184       
262.4085 469.7946       260.7005 28.22969 12.17135 36.14484 13.19474 -7.915144 
17.95113 
1 1 1 26  28  11 o 23.77485 7.609438  49.85781       158.1765 128.0921       
260.0127 3.895036       199.2962 26.01274 11.61924 21.53695 9.828906 4.475790 
15.21888 
1 1 1 26  28  12 o 27.25170 8.223957  183.5031       170.9723 80.21214       
266.0948 256.1274       223.1240 25.17145 11.45239 29.33195 11.80579 -4.160498 
16.44791 
1 1 1 26  28  13 o 33.08048 8.612585  341.2534       162.2608 490.9258       
241.0700 217.2794       219.4006 38.10775 12.77581 28.05321 11.55358 10.05454 
17.22517 
1 1 1 26  28  14 o 25.39870 7.985640  75.99392       176.4962 -77.41234      
240.7989 254.0847       259.4499 21.46800 10.12518 29.32940 12.35162 -7.861404 
15.97128 
1 1 1 26  28  15 o 34.13003 8.422080  295.5233       177.0584 -18.23429      
234.2027 714.0634       270.4975 22.30671 10.36726 45.95335 13.27575 -23.64664 
16.84416 
1 1 1 26  28  16 o 24.79810 7.733644  109.3512       156.8820 107.3970       
212.8695 111.6746       232.1059 24.53513 10.77026 25.06106 11.10129 
-0.5259380     15.46729 
1 1 1 26  28  17 o 26.32767 8.043984  153.8119       167.2356 48.62803       
239.1832 254.4161       233.9184 23.65877 10.78920 28.99658 11.93381 -5.337818 
16.08797 
1 1 1 26  28  18 o 23.35450 7.534118  34.15353       112.0739 264.8247       
305.9575 -1.594530      120.4455 29.12744 12.84404 17.58156 7.879237 11.54588 
15.06824 
1 1 1 26  28  19 o 23.96983 7.664703  75.88906       128.4819 219.2335       
310.5235 46.28003       141.1290 27.82005 12.55112 20.11962 8.801147 7.700430 
15.32941 
1 1 1 26  28  20 o 23.68419 7.605983  79.33296       130.1882 206.0497       
314.0155 53.03119       143.0628 27.11840 12.36568 20.24997 8.859681 6.868429 
15.21197 
1 1 1 26  28  21 o 20.27944 6.820507  -5.433757      118.1329 -57.75493      
324.1733 2.578292       126.8558 22.83216 11.04272 17.72672 8.008472 5.105434 
13.64101 
1 1 1 26  28  22 o 19.95789 6.768481  -19.92811      120.7583 -47.43620      
327.2528 -15.59203      129.9277 22.68795 10.99773 17.22782 7.892990 5.460136 
13.53696 
1 1 1 26  28  23 o 20.00959 6.804785  -39.40030      110.5321 165.4330       
292.9870 -73.39080      119.3512 25.01078 11.61305 15.00839 7.096295 10.00239 
13.60957 
1 1 1 26  28  24 o 20.31640 6.462532  59.34202       103.7698 21.10498       
225.3478 69.63213       116.9018 21.24436 9.962869 19.38843 8.233987 1.855928 
12.92506 
1 1 1 26  29  5  o 20.12936 6.696934  -13.85448      147.0155 -14.90801      
214.0951 -12.91445      202.2341 20.29034 9.563161 19.96838 9.377721 0.3219662 
13.39387 
1 1 1 26  29  6  o 26.80672 7.934031  238.4676       152.8115 340.3452       
220.6149 144.5095       211.8666 29.78895 11.83230 23.82448 10.57318 5.964464 
15.86806 
1 1 1 26  29  7  o 20.70960 6.816088  -2.106513      148.7508 -129.4486      
228.1574 92.03871       196.1768 19.04809 9.221479 22.37111 10.03995 -3.323029 
13.63218 
1 1 1 26  29  8  o 24.39846 7.295980  56.40239       144.1816 382.3183       
220.6508 -186.4518      190.4696 31.94552 12.05465 16.85140 8.222576 15.09412 
14.59196 
1 1 1 26  29  9  o 27.04977 7.632884  192.7329       140.4276 392.4899       
210.6262 32.88577       188.4143 33.07145 11.88086 21.02809 9.585869 12.04336 
15.26577 
1 1 1 26  29  10 o 17.40418 5.851161  -138.2857      122.0000 -314.7174      
177.4980 19.70262       167.9646 14.69525 7.311558 20.11311 9.137036 -5.417858 
11.70232 
1 1 1 26  29  11 o 21.46393 6.388806  87.72073       100.5941 16.62137       
160.3886 133.8247       129.1546 19.82285 8.977557 23.10501 9.092352 -3.282166 
12.77761 
1 1 1 26  29  12 o 23.70382 7.662524  70.27796       167.9283 112.5552       
269.9841 43.60143       214.4615 25.02130 11.42776 22.38633 10.21095 2.634974 
15.32505 
1 1 1 26  29  13 o 21.02382 7.013923  -48.11916      161.2794 -93.00520      
231.2725 -5.626255      225.0228 20.34745 9.719519 21.70018 10.11491 -1.352726 
14.02785 
1 1 1 26  29  14 o 25.00246 7.866376  109.5025       176.6158 -85.04067      
272.1549 251.0393       232.1362 21.77009 10.43359 28.23483 11.77538 -6.464741 
15.73275 
1 1 1 26  29  15 o 27.09661 8.480556  205.8018       193.3750 137.7003       
297.7277 255.4932       254.3206 25.92347 11.90670 28.26976 12.07932 -2.346289 
16.96111 
1 1 1 26  29  16 o 23.67406 7.387902  108.0250       122.0952 121.4780       
287.9295 105.0757       134.8164 25.36915 11.67602 21.97898 9.055108 3.390165 
14.77580 
1 1 1 26  29  17 o 22.48997 7.589827  -31.24208      133.3417 281.3240       
352.0254 -83.60056      144.0776 28.46319 13.02026 16.51675 7.803505 11.94644 
15.17965 
1 1 1 26  29  18 o 22.61536 7.172143  89.34985       131.1961 -117.6537      
327.2244 128.9993       143.2106 22.29275 10.85961 22.93797 9.371627 
-0.6452141     14.34429 
1 1 1 26  29  19 o 22.65875 7.357492  75.10458       143.4257 41.85061       
306.0803 84.46069       162.3534 23.70933 11.28278 21.60816 9.446139 2.101170 
14.71498 
1 1 1 26  29  20 o 24.37288 7.932976  101.9949       133.6565 347.1864       
370.5653 65.32723       143.3024 28.45099 13.15269 20.29477 8.873286 8.156227 
15.86595 
1 1 1 26  29  21 o 27.66085 7.821603  244.4397       122.4231 311.0347       
290.7729 230.0915       134.9687 27.94353 12.39573 27.37817 9.542321 0.5653534 
15.64321 
1 1 1 26  29  22 o 21.32456 6.719603  76.90272       109.2938 120.3303       
216.5779 62.06473       126.5957 23.20683 10.47524 19.44229 8.419119 3.764545 
13.43921 
1 1 1 26  30  8  o 25.77603 7.535472  213.9561       132.2551 196.2500       
179.7426 234.8595       195.2980 25.13866 10.41504 26.41341 10.89313 -1.274752 
15.07094 
1 1 1 26  30  9  o 17.59264 5.904727  -69.46070      118.1332 -122.1949      
177.3282 -27.38319      158.4005 17.07120 8.239589 18.11409 8.460046 -1.042894 
11.80945 
1 1 1 26  30  10 o 27.94942 7.509666  259.0333       120.5710 286.0581       
187.1194 239.8467       157.6652 28.60804 11.01263 27.29080 10.21285 1.317244 
15.01933 
1 1 1 26  30  11 o 20.53543 6.533787  48.49031       115.8123 89.24341       
183.6317 21.57498       149.2338 21.99611 9.796474 19.07475 8.648155 2.921358 
13.06757 
1 1 1 26  30  12 o 19.45588 6.402333  -29.28743      125.9852 -113.3397      
166.7919 82.37793       192.2470 16.85503 8.099692 22.05673 9.917381 -5.201702 
12.80467 
1 1 1 26  30  13 o 30.96009 8.198724  243.0414       165.3198 -44.75574      
210.4453 706.9124       267.1743 19.87248 9.408784 42.04771 13.42949 -22.17523 
16.39745 
1 1 1 26  30  14 o 26.90346 8.118532  160.3628       129.4045 499.4522       
299.0836 82.26372       143.5352 32.91892 13.51197 20.88800 9.003823 12.03092 
16.23706 
1 1 1 26  30  15 o 23.76408 7.793089  55.31857       131.7048 384.2229       
339.6155 -2.902474      142.8870 29.32661 13.18403 18.20154 8.313260 11.12507 
15.58618 
1 1 1 26  30  16 o 27.43843 8.090782  225.7820       132.6479 382.2050       
297.5534 186.9853       148.1876 29.75676 12.89682 25.12010 9.773183 4.636656 
16.18156 
1 1 1 26  30  17 o 34.49631 8.222124  426.0078       134.3021 476.6745       
318.0944 415.0166       148.1548 31.48308 13.48258 37.50954 9.414525 -6.026464 
16.44425 
1 1 1 26  30  18 f 31.35643 8.750804  327.4063       139.5173 614.4466       
352.0398 273.9228       151.9604 33.56737 14.27315 29.14550 10.12835 4.421875 
17.50161 
1 1 1 26  30  19 o 26.94158 8.016385  153.0630       124.4911 539.1106       
284.7990 61.87647       138.4151 34.02162 13.46572 19.86153 8.701960 14.16009 
16.03277 
1 1 1 26  30  20 o 21.01450 6.620347  68.39534       121.8533 -57.26197      
211.7882 130.5758       148.9824 19.47978 9.304102 22.54923 9.420703 -3.069452 
13.24069 
1 1 1 27  -10 0  o 23.67999 6.961023  117.1973       124.5765 -38.14789      
174.0578 280.3483       178.3772 18.61599 8.734878 28.74398 10.84091 -10.12800 
13.92205 
1 1 1 27  -10 1  o 25.48232 7.465451  103.7835       138.0818 -88.31377      
173.0449 440.4871       229.0984 17.56235 8.393500 33.40229 12.34832 -15.83994 
14.93090 
1 1 1 27  -10 2  o 19.96035 6.699710  -67.76665      141.3435 -165.3172      
174.3542 119.2394       241.4045 16.28329 7.931252 23.63741 10.79999 -7.354118 
13.39942 
1 1 1 27  -10 3  o 21.48245 7.010575  51.65038       143.6010 58.62983       
176.6836 38.06726       246.4823 20.89395 9.444694 22.07095 10.36293 -1.177002 
14.02115 
1 1 1 27  -10 4  o 19.89352 6.693971  -42.19897      143.0440 -87.95264      
175.7510 47.58789       246.2018 17.60140 8.423331 22.18565 10.40598 -4.584255 
13.38794 
1 1 1 27  -9  0  o 28.01482 7.684103  247.1354       132.2980 288.9150       
173.6432 189.3246       204.2583 30.08840 10.78965 25.94124 10.94373 4.147160 
15.36821 
1 1 1 27  -9  1  o 28.30779 8.111377  202.1770       143.8021 79.31460       
173.7001 469.8221       256.3719 21.99697 9.691605 34.61861 13.00963 -12.62164 
16.22275 
1 1 1 27  -9  2  o 24.89324 7.480771  43.18642       143.1315 -159.2848      
177.8434 415.4781       241.1559 16.80130 8.135110 32.98519 12.55658 -16.18389 
14.96154 
1 1 1 27  -9  3  o 21.74347 6.970137  51.86029       140.2852 118.1571       
173.1175 -74.93788      239.4148 22.98228 9.897183 20.50466 9.817178 2.477625 
13.94027 
1 1 1 27  -9  4  o 19.91156 6.659419  -64.97264      139.5099 -149.0169      
173.8717 86.93152       233.7543 16.64540 8.056865 23.17773 10.60558 -6.532333 
13.31884 
1 1 1 27  -9  5  o 20.47748 6.634531  2.118616       130.5799 -109.2990      
176.7198 136.1069       193.7946 17.38930 8.351775 23.56565 10.31096 -6.176350 
13.26906 
1 1 1 27  -9  6  o 20.10420 6.540043  19.83239       125.0895 0.6838660      
161.4200 48.61749       197.9126 18.95285 8.730847 21.25555 9.739659 -2.302702 
13.08009 
1 1 1 27  -9  7  o 22.81422 6.779418  130.0990       110.8683 82.50028       
152.0566 184.1252       161.9981 20.91586 9.142606 24.71259 10.01273 -3.796738 
13.55884 
1 1 1 27  -8  0  o 21.27421 6.886535  6.046358       135.3494 19.02781       
170.1236 -16.34115      223.4116 20.69640 9.316200 21.85202 10.14425 -1.155628 
13.77307 
1 1 1 27  -8  1  o 38.62770 7.128539  486.0025       143.0506 657.7193       
177.6383 169.2014       241.2812 50.71077 8.343676 26.54463 11.56060 24.16615 
14.25708 
1 1 1 27  -8  2  o 24.70754 7.370259  130.7706       139.5491 214.9181       
171.6234 -33.41601      239.7313 27.45992 10.55207 21.95516 10.29256 5.504759 
14.74052 
1 1 1 27  -8  3  o 21.53426 7.015069  1.601934       139.7080 -22.67040      
171.6572 49.22575       240.4465 19.56288 9.008608 23.50564 10.75592 -3.942759 
14.03014 
1 1 1 27  -8  4  o 29.52247 7.342898  253.1785       131.1157 413.5855       
176.1732 54.01099       196.3077 36.78625 10.74196 22.25869 10.01413 14.52756 
14.68580 
1 1 1 27  -8  5  o 25.45614 7.129726  178.8384       112.8383 166.3245       
155.3808 192.8018       164.1337 24.88459 9.915624 26.02769 10.24755 -1.143099 
14.25945 
1 1 1 27  -8  6  o 66.51994 5.876942  1156.946       157.9144 1128.001       
198.9070 1206.293       259.7131 67.34031 7.035517 65.69958 9.415693 1.640724 
11.75388 
1 1 1 27  -8  7  o 31.72688 7.781724  346.8631       130.9976 394.3819       
169.7962 276.9904       205.8965 35.06725 10.62129 28.38650 11.37581 6.680748 
15.56345 
1 1 1 27  -8  8  o 22.58359 7.206609  82.77206       148.8101 -13.76497      
214.3797 172.5402       206.7274 20.48180 9.628839 24.68539 10.72503 -4.203587 
14.41322 
1 1 1 27  -8  9  o 28.19527 8.214365  289.5604       156.2484 365.5827       
237.1428 231.2389       207.7083 30.13350 12.15337 26.25704 11.05436 3.876453 
16.42873 
1 1 1 27  -7  0  o 24.99022 7.325494  118.0586       138.7181 228.6775       
172.2467 -86.10000      234.0024 28.69685 10.68741 21.28360 10.02152 7.413246 
14.65099 
1 1 1 27  -7  1  f 28.70492 7.638456  221.4649       122.6934 183.3939       
156.7783 281.6288       197.0867 26.57853 10.12239 30.83131 11.44208 -4.252781 
15.27691 
1 1 1 27  -7  2  o 18.48065 6.267730  -148.1748      137.5190 -96.25063      
169.1420 -249.4337      236.2018 18.11785 8.527773 18.84345 9.187755 
-0.7255974     12.53546 
1 1 1 27  -7  3  o 22.93244 7.151923  42.71804       132.4698 -31.48841      
169.5259 159.0812       212.2868 19.57944 8.989410 26.28544 11.12612 -6.706007 
14.30385 
1 1 1 27  -7  4  o 24.49806 7.317891  124.1372       128.8047 125.5465       
171.6084 122.3189       194.9263 24.28986 10.12694 24.70626 10.56651 
-0.4164009     14.63578 
1 1 1 27  -7  5  o 25.48628 7.483094  155.2784       131.5082 162.7022       
173.8685 145.3533       201.0370 25.56773 10.36738 25.40482 10.79371 0.1629124 
14.96619 
1 1 1 27  -7  6  o 23.43242 7.150634  90.37814       125.3136 41.12033       
159.7052 169.2907       202.1410 20.87404 9.232375 25.99080 10.92197 -5.116758 
14.30127 
1 1 1 27  -7  7  o 34.82422 8.437069  408.0158       152.2876 319.7119       
215.0798 496.7932       215.6557 30.98542 11.83992 38.66301 12.02302 -7.677586 
16.87414 
1 1 1 27  -7  8  o 26.24943 7.895474  195.6025       152.1482 211.6969       
222.7155 181.5183       208.3430 26.74364 11.36161 25.75523 10.96667 0.9884090 
15.79095 
1 1 1 27  -7  9  o 16.77018 5.852350  -293.0064      152.9801 -524.6545      
241.0063 -136.6897      197.9780 15.54785 7.841691 17.99252 8.689527 -2.444667 
11.70470 
1 1 1 27  -7  10 o 16.74663 5.893641  -300.5348      139.2663 -53.50848      
235.0042 -434.2454      172.8968 20.43033 9.768300 13.06294 6.596994 7.367389 
11.78728 
1 1 1 27  -7  11 o 27.21869 7.906123  244.9674       160.9950 40.62413       
242.3662 406.3366       215.3784 22.01408 10.32535 32.42329 11.97557 -10.40921 
15.81225 
1 1 1 27  -6  0  o 41.34399 7.103340  535.8312       146.4436 740.2514       
182.2837 163.7319       245.9322 55.15091 7.872564 27.53706 11.82592 27.61386 
14.20668 
1 1 1 27  -6  1  o 25.48893 7.624760  57.67946       137.6795 -64.12142      
167.8586 308.0701       240.6730 18.96007 8.798392 32.01779 12.45537 -13.05772 
15.24952 
1 1 1 27  -6  2  o 38.74624 7.644061  470.4225       144.4611 597.6023       
179.2515 234.7543       244.0081 47.92847 9.237889 29.56400 12.18146 18.36447 
15.28812 
1 1 1 27  -6  3  o 23.42100 6.832483  97.09400       110.0714 42.17636       
151.2716 158.8887       160.4638 21.05680 9.161869 25.78520 10.13861 -4.728399 
13.66497 
1 1 1 27  -6  4  o 22.15459 6.596390  -25.30990      129.4037 220.2243       
169.6398 -367.0184      200.1242 28.52401 10.60957 15.78518 7.841338 12.73883 
13.19278 
1 1 1 27  -6  5  f 20.26363 6.529862  -15.08186      119.4553 -21.98875      
151.5384 -3.745913      194.1379 19.03665 8.656206 21.49061 9.778881 -2.453962 
13.05972 
1 1 1 27  -6  6  o 24.08434 7.420243  86.36420       135.0891 142.7856       
227.3152 55.55806       167.9675 26.18261 11.30898 21.98607 9.609737 4.196539 
14.84049 
1 1 1 27  -6  7  o 20.22263 6.671407  -126.1516      146.2620 92.45915       
208.9120 -336.3228      204.8397 24.21587 10.64964 16.22939 8.038392 7.986488 
13.34281 
1 1 1 27  -6  8  o 24.51739 7.566741  109.9422       147.2328 146.8732       
213.9199 76.70155       202.9503 25.61762 11.01648 23.41715 10.37591 2.200476 
15.13348 
1 1 1 27  -6  9  o 32.94759 8.281650  352.8495       160.4358 154.6908       
233.6013 529.7679       220.7268 25.81109 11.30675 40.08409 12.10373 -14.27300 
16.56330 
1 1 1 27  -6  10 o 35.03180 8.089530  422.1056       141.3543 349.3344       
240.1744 460.6718       174.8436 31.06092 12.34311 39.00267 10.45990 -7.941751 
16.17906 
1 1 1 27  -6  11 o 21.95185 7.138993  30.66604       156.4833 -112.6770      
239.9531 136.7402       206.4158 19.88126 9.593142 24.02243 10.57509 -4.141174 
14.27799 
1 1 1 27  -6  12 o 18.97419 6.452478  -96.26965      149.8507 -89.64402      
220.9991 -101.9084      203.8767 19.37327 9.313145 18.57512 8.933266 0.7981529 
12.90496 
1 1 1 27  -6  13 o 33.83028 8.483850  437.6501       153.6250 533.4051       
222.5564 350.4996       212.3218 37.39796 12.27544 30.26259 11.71395 7.135363 
16.96770 
1 1 1 27  -5  0  o 51.87273 6.401882  698.6388       131.4798 816.4164       
176.1581 550.5084       197.5574 58.89396 7.124474 44.85150 10.63853 14.04246 
12.80376 
1 1 1 27  -5  1  o 28.62149 7.812873  206.6156       126.7424 208.3185       
149.8888 202.3434       237.4099 28.32048 10.03757 28.92251 11.97544 
-0.6020317     15.62575 
1 1 1 27  -5  2  o 31.87210 7.412650  189.4792       123.4306 25.41773       
149.6096 539.1606       218.4200 20.62708 9.042121 43.11711 11.74860 -22.49002 
14.82530 
1 1 1 27  -5  3  o 34.50349 7.802241  321.2466       129.7590 221.3263       
169.6743 462.0103       201.3884 28.94740 10.63723 40.05957 11.41706 -11.11216 
15.60448 
1 1 1 27  -5  4  o 79.45857 5.291004  1516.533       169.4214 1549.484       
214.6365 1462.067       275.9510 82.08923 6.227854 76.82792 8.555274 5.261307 
10.58201 
1 1 1 27  -5  5  o 25.64172 7.369492  128.1939       120.5354 74.40560       
150.8241 223.2745       200.5268 22.27405 9.400665 29.00939 11.35188 -6.735338 
14.73898 
1 1 1 27  -5  6  o 29.32677 8.195631  233.2579       149.5099 222.6445       
220.2682 242.3252       203.5927 29.01484 11.70853 29.63870 11.47100 
-0.6238613     16.39126 
1 1 1 27  -5  7  o 24.80760 7.592778  98.74796       145.2585 144.0777       
214.4446 60.31506       197.4582 26.24641 11.14946 23.36879 10.30974 2.877617 
15.18556 
1 1 1 27  -5  8  o 21.87961 6.674546  31.93861       119.3796 -99.34751      
172.1605 153.5303       165.6823 18.27351 8.601767 25.48570 10.20823 -7.212191 
13.34909 
1 1 1 27  -5  9  o 21.93347 7.146660  -11.35034      152.0956 -37.99004      
231.0575 9.018810       202.0421 21.95172 10.23893 21.91522 9.973131 
0.3649521E-01  14.29332 
1 1 1 27  -5  10 o 27.38032 7.766190  170.8482       156.5805 -73.15543      
236.1184 362.3787       209.1947 21.27080 10.03045 33.48985 11.85938 -12.21905 
15.53238 
1 1 1 27  -5  11 o 46.64007 8.365726  714.9429       175.7930 463.5002       
249.7831 961.7124       247.4511 35.64395 12.92494 57.63618 10.62485 -21.99223 
16.73145 
1 1 1 27  -5  12 o 25.43751 7.702131  169.7788       150.5828 83.09294       
223.4021 241.9557       203.8507 23.26670 10.56111 27.60832 11.21402 -4.341623 
15.40426 
1 1 1 27  -5  13 o 23.44958 7.297080  93.91553       150.7707 -97.20092      
223.7983 252.7384       204.0160 19.48491 9.368064 27.41426 11.19057 -7.929340 
14.59416 
1 1 1 27  -5  14 o 20.60632 6.808580  -11.34033      145.7606 120.3868       
218.2470 -117.4095      195.8416 23.27600 10.51051 17.93664 8.657727 5.339369 
13.61716 
1 1 1 27  -4  0  o 22.77163 7.181663  22.05036       134.5715 17.16012       
167.5138 30.94956       225.9755 21.39136 9.459027 24.15190 10.80888 -2.760540 
14.36333 
1 1 1 27  -4  1  o 47.30302 7.334693  577.9112       137.6903 525.3455       
172.6196 669.8552       228.2975 45.26314 9.397592 49.34291 11.26393 -4.079773 
14.66939 
1 1 1 27  -4  2  o 16.49983 5.677663  -231.7410      124.6896 -213.1074      
164.2878 -257.0583      191.4987 16.02897 7.776861 16.97068 8.274290 
-0.9417133     11.35533 
1 1 1 27  -4  3  o 30.19559 7.777395  217.3359       129.0187 124.5969       
165.4058 361.4300       206.1782 24.96839 10.11703 35.42279 11.81512 -10.45440 
15.55479 
1 1 1 27  -4  4  o 25.81262 6.983704  146.7220       110.6020 219.9204       
151.4197 62.99953       161.9394 29.07332 10.10964 22.55192 9.637623 6.521393 
13.96741 
1 1 1 27  -4  5  o 33.11884 8.592406  317.5691       156.2932 310.5137       
242.4055 322.5888       204.4690 32.72462 12.55064 33.51305 11.73880 
-0.7884254     17.18481 
1 1 1 27  -4  6  o 24.04398 7.258840  59.71555       131.4472 -33.64060      
172.8101 187.8877       202.4857 20.12733 9.176617 27.96063 11.24957 -7.833305 
14.51768 
1 1 1 27  -4  7  o 32.40615 8.393316  304.5851       149.3475 301.2475       
215.9599 307.6443       206.7590 32.23214 11.97433 32.58017 11.76463 
-0.3480377     16.78663 
1 1 1 27  -4  8  o 40.70490 8.331280  492.6722       150.7243 471.9208       
221.6436 510.5238       205.5748 39.37480 12.17762 42.03500 11.37306 -2.660206 
16.66256 
1 1 1 27  -4  9  o 29.27956 8.184447  206.1523       153.2685 371.7814       
233.9921 81.68974       202.8394 34.39355 12.50596 24.16557 10.56133 10.22798 
16.36889 
1 1 1 27  -4  10 o 32.20367 8.217293  254.6570       160.5224 558.0478       
244.4191 24.54641       212.8640 41.57783 12.77365 22.82951 10.34067 18.74832 
16.43459 
1 1 1 27  -4  11 o 47.71112 8.254195  672.3547       163.5822 815.5676       
249.9196 565.0105       216.3706 52.35231 11.67190 43.06993 11.67449 9.282379 
16.50839 
1 1 1 27  -4  12 f 27.61442 7.951219  200.3185       152.1725 72.79256       
216.6426 324.5135       213.7945 23.58456 10.56842 31.64428 11.88260 -8.059723 
15.90244 
1 1 1 27  -4  13 o 25.64170 7.729075  169.2750       145.7969 199.0490       
218.7624 145.4820       195.5591 26.58148 11.27514 24.70192 10.57477 1.879560 
15.45815 
1 1 1 27  -4  14 o 23.96743 7.038193  138.6713       129.3600 -56.49089      
221.2326 240.0640       159.4611 20.19856 9.602696 27.73630 10.29237 -7.537743 
14.07639 
1 1 1 27  -4  15 o 17.83551 6.157042  -169.3859      146.6019 -107.9703      
226.5867 -213.6062      192.2676 19.24004 9.292734 16.43098 8.079712 2.809052 
12.31408 
1 1 1 27  -3  0  o 26.92736 7.643419  157.0518       126.7287 178.8695       
148.5719 98.78308       242.8006 27.22161 9.958587 26.63312 11.59802 0.5884933 
15.28684 
1 1 1 27  -3  1  o 35.05263 7.720514  320.7858       120.9866 284.7208       
149.2330 389.9501       206.6630 32.96231 9.952126 37.14294 11.80595 -4.180626 
15.44103 
1 1 1 27  -3  2  o 20.08835 6.462606  -42.31868      115.8525 -74.83340      
146.6239 11.71363       189.0129 17.80084 8.246089 22.37586 9.953047 -4.575014 
12.92521 
1 1 1 27  -3  3  o 43.81484 7.032754  475.7336       122.4482 407.9706       
151.9953 601.0269       206.6799 40.05053 9.223783 47.57915 10.61887 -7.528618 
14.06551 
1 1 1 27  -3  4  o 28.50061 8.201061  174.5823       152.5853 245.4700       
235.7282 123.4626       200.1798 30.89495 12.24369 26.10627 10.91429 4.788683 
16.40212 
1 1 1 27  -3  5  o 31.16488 8.094775  245.4541       150.7462 83.87234       
220.1819 388.0191       206.8197 25.45233 11.06355 36.87743 11.81945 -11.42510 
16.18955 
1 1 1 27  -3  6  o 31.24450 8.290428  259.4724       147.5692 314.4545       
217.8532 212.8537       200.6012 33.31546 12.07159 29.17353 11.36668 4.141924 
16.58086 
1 1 1 27  -3  7  o 38.87636 8.076653  426.7035       137.7969 433.7827       
229.7793 422.7278       172.1965 38.08710 12.47304 39.66562 10.26414 -1.578522 
16.15331 
1 1 1 27  -3  8  o 23.33564 7.354301  31.01983       145.1799 60.79563       
216.0492 6.504616       196.0373 24.42521 10.77890 22.24606 10.00791 2.179159 
14.70860 
1 1 1 27  -3  9  o 28.22621 8.071333  188.1237       154.8075 71.22903       
237.0941 274.9942       204.3899 25.19518 11.18279 31.25724 11.64177 -6.062065 
16.14267 
1 1 1 27  -3  10 o 23.66545 7.479638  11.09867       154.6453 160.2910       
233.3841 -105.6809      206.4816 27.29460 11.61413 20.03631 9.428250 7.258295 
14.95928 
1 1 1 27  -3  11 o 29.79927 8.221372  218.6544       154.2431 399.4461       
235.6873 83.21561       203.9944 35.39181 12.58239 24.20673 10.58524 11.18508 
16.44274 
1 1 1 27  -3  12 o 27.16154 7.640962  178.3609       132.6180 97.49329       
178.4737 278.0613       198.1689 23.66879 10.11639 30.65429 11.45408 -6.985498 
15.28192 
1 1 1 27  -3  13 o 27.23330 7.897254  196.9870       143.1163 218.3803       
219.2259 181.0978       188.9305 28.00065 11.54333 26.46594 10.78044 1.534704 
15.79451 
1 1 1 27  -3  14 f 22.52793 7.094573  40.02371       144.1593 -127.7474      
219.3036 167.6812       191.2980 19.47470 9.341313 25.58115 10.68044 -6.106445 
14.18915 
1 1 1 27  -3  15 o 22.69282 7.221154  76.71619       146.5983 -1.530764      
224.4755 134.9070       193.5808 21.41634 10.02554 23.96929 10.39561 -2.552952 
14.44231 
1 1 1 27  -3  16 o 23.92940 7.340892  85.37785       155.4796 -189.1176      
227.9821 324.0533       212.5871 18.23408 8.918086 29.62471 11.66287 -11.39063 
14.68178 
1 1 1 27  -3  17 o 33.59645 9.012691  475.2325       177.4190 581.0989       
259.2310 381.9484       243.3390 36.78146 13.18388 30.41145 12.29226 6.370008 
18.02538 
1 1 1 27  -2  0  o 21.01896 6.823117  -47.88989      133.3643 -16.13424      
165.0011 -107.7255      226.4937 20.53007 9.210847 21.50786 10.06876 
-0.9777889     13.64623 
1 1 1 27  -2  1  f 39.70145 7.267311  391.3731       129.2277 216.8434       
169.2668 635.2435       200.0860 29.47337 10.64448 49.92952 9.896983 -20.45616 
14.53462 
1 1 1 27  -2  2  o 25.65998 6.998895  137.9921       107.3805 100.9532       
147.9425 179.2303       156.1040 23.78553 9.596728 27.53443 10.19024 -3.748898 
13.99779 
1 1 1 27  -2  3  o 39.06883 6.538874  391.5029       112.7339 535.0075       
156.6664 237.4071       162.3448 47.69551 7.823832 30.44215 10.47927 17.25336 
13.07775 
1 1 1 27  -2  4  o 52.96740 6.993615  650.2422       140.8212 924.0862       
259.1324 535.4787       167.7537 59.44561 10.77980 46.48919 8.912832 12.95642 
13.98723 
1 1 1 27  -2  5  o 22.81443 7.056571  34.55826       128.8942 -51.36909      
216.1957 81.94357       160.5474 22.16176 10.16523 23.46711 9.790249 -1.305346 
14.11314 
1 1 1 27  -2  6  o 24.48262 7.229601  78.95998       131.8914 176.6723       
172.8477 -57.22643      204.0591 27.54319 10.58816 21.42205 9.846800 6.121138 
14.45920 
1 1 1 27  -2  7  o 36.62908 8.027609  362.2040       149.7447 174.2133       
208.5614 562.2293       215.1336 28.04814 11.36228 45.21003 11.34322 -17.16188 
16.05522 
1 1 1 27  -2  8  o 36.92732 8.549390  387.3597       152.0842 465.9975       
231.7561 327.8835       201.5520 39.72218 12.48613 34.13247 11.68182 5.589718 
17.09878 
1 1 1 27  -2  9  f 37.62088 8.163562  406.2965       139.9083 386.9326       
235.5949 416.8456       173.8909 35.95087 12.59989 39.29090 10.38353 -3.340031 
16.32712 
1 1 1 27  -2  10 o 25.48987 7.634192  114.3304       141.2474 96.38411       
193.7469 134.6888       206.3568 24.70607 10.54943 26.27368 11.03780 -1.567610 
15.26838 
1 1 1 27  -2  11 o 29.30559 8.127189  227.3276       146.6318 189.1846       
222.2352 256.7352       195.1352 28.15127 11.61671 30.45990 11.36912 -2.308630 
16.25438 
1 1 1 27  -2  12 o 27.30552 7.736820  176.1151       142.2400 56.32942       
218.1060 264.7657       187.6316 24.01019 10.68549 30.60085 11.19169 -6.590666 
15.47364 
1 1 1 27  -2  13 o 29.70812 8.029915  250.6744       143.7960 172.6650       
215.4232 313.3652       193.1170 27.00990 11.30911 32.40634 11.40273 -5.396442 
16.05983 
1 1 1 27  -2  14 o 20.05891 6.655620  -72.05363      142.1061 -128.7686      
217.1462 -29.56911      187.9397 19.71799 9.418639 20.39983 9.406293 
-0.6818428     13.31124 
1 1 1 27  -2  15 o 32.66151 7.890639  290.5403       156.3882 605.2067       
228.6362 13.88194       214.3837 43.27314 12.11134 22.04989 10.11752 21.22326 
15.78128 
1 1 1 27  -2  16 o 19.50457 6.636194  -139.0792      160.4597 -235.7064      
219.2921 -27.72283      235.4132 17.65405 8.664303 21.35510 10.05416 -3.701052 
13.27239 
1 1 1 27  -2  17 o 32.48598 8.183319  388.7744       160.4816 564.6550       
216.3798 173.7493       239.2502 39.94368 11.96842 25.02829 11.16350 14.91539 
16.36664 
1 1 1 27  -2  18 o 26.63278 8.401253  211.5007       190.0369 463.8588       
300.8984 44.04962       245.1068 31.16668 13.22194 22.09888 10.36844 9.067801 
16.80251 
1 1 1 27  -1  0  o 32.85546 7.573419  281.7900       120.0771 298.7374       
169.3316 264.6479       170.3019 33.74124 10.68271 31.96969 10.73808 1.771551 
15.14684 
1 1 1 27  -1  1  o 25.62370 7.337591  120.7139       122.1378 113.5775       
162.7517 129.9149       184.7993 24.95869 10.06744 26.28870 10.67743 -1.330008 
14.67518 
1 1 1 27  -1  2  o 58.42919 5.718377  803.4712       138.5701 807.1772       
183.2794 798.5259       211.7178 59.10833 7.385606 57.75005 8.732247 1.358284 
11.43675 
1 1 1 27  -1  3  o 29.92719 8.311593  202.9920       149.8548 253.0099       
238.1637 170.2119       192.8049 31.81796 12.38767 28.03643 11.08495 3.781525 
16.62319 
1 1 1 27  -1  4  o 24.50882 7.624961  40.52118       150.0657 31.75239       
237.7703 46.32658       193.4656 25.18326 11.18544 23.83438 10.36562 1.348883 
15.24992 
1 1 1 27  -1  5  o 25.88343 7.707638  102.9848       142.4560 117.0365       
209.9735 91.00088       193.9103 26.56767 11.14644 25.19919 10.64836 1.368475 
15.41528 
1 1 1 27  -1  6  o 24.97960 7.548188  79.87609       140.6668 53.07692       
204.2545 104.0536       194.0066 24.38103 10.62729 25.57817 10.72200 -1.197144 
15.09638 
1 1 1 27  -1  7  o 51.06365 7.330196  670.1591       155.8352 1001.827       
231.1880 393.9758       210.9660 64.61210 8.522609 37.51520 11.92863 27.09690 
14.66039 
1 1 1 27  -1  8  o 38.64132 7.617308  315.6776       140.6264 751.6331       
244.0250 98.91029       172.0720 52.77599 11.33939 24.50665 10.17407 28.26933 
15.23462 
1 1 1 27  -1  9  o 26.02119 7.699725  40.64198       151.5462 293.4751       
233.3069 -143.8954      199.3209 32.67411 12.37612 19.36827 9.163771 13.30583 
15.39945 
1 1 1 27  -1  10 o 34.61027 8.613392  333.6870       154.2202 426.1447       
240.1824 268.8266       201.1681 37.71444 12.75227 31.50610 11.58196 6.208344 
17.22678 
1 1 1 27  -1  11 o 24.84130 7.325483  112.6722       124.7894 57.10101       
218.5055 139.5704       152.0194 24.48985 10.81950 25.19276 9.878729 
-0.7029095     14.65097 
1 1 1 27  -1  12 o 23.78196 7.389430  59.27922       141.7830 51.36820       
215.1933 65.34776       188.4754 24.05498 10.66814 23.50893 10.22768 0.5460415 
14.77886 
1 1 1 27  -1  13 o 29.12755 7.954137  187.5752       145.8351 387.5557       
223.9187 40.26310       192.1834 35.48995 12.29840 22.76515 10.09071 12.72480 
15.90827 
1 1 1 27  -1  14 o 34.74020 7.275372  260.9090       154.8645 703.6801       
226.1477 -130.0728      212.5107 49.74894 11.11095 19.73145 9.395265 30.01750 
14.55074 
1 1 1 27  -1  15 o 20.88309 6.869670  -53.48698      139.8420 -108.6120      
175.9382 41.08812       230.4487 18.18644 8.606913 23.57975 10.70937 -5.393309 
13.73934 
1 1 1 27  -1  16 o 23.51306 7.458465  38.06740       162.5394 193.1821       
218.8285 -152.8309      242.7607 26.90687 11.33806 20.11924 9.693466 6.787634 
14.91693 
1 1 1 27  -1  17 o 31.09958 8.959680  348.8176       183.9873 492.7557       
282.4769 242.7597       242.4747 34.55475 13.48320 27.64441 11.80282 6.910337 
17.91936 
1 1 1 27  -1  18 o 29.42343 8.362795  303.4821       185.4658 -4.065278      
284.9023 529.6631       244.3251 22.44512 10.73734 36.40174 12.82400 -13.95662 
16.72559 
1 1 1 27  -1  19 o 23.30393 7.728341  87.46718       188.5015 126.9180       
292.6548 59.49502       246.4284 24.20353 11.35116 22.40433 10.49095 1.799198 
15.45668 
1 1 1 27  0   0  o 29.97368 6.528381  183.7099       106.4835 6.518891       
143.9648 397.7393       158.2240 20.22348 8.867517 39.72388 9.583640 -19.50039 
13.05676 
1 1 1 27  0   1  o 25.31832 7.243950  91.41656       121.5721 8.357041       
160.5833 202.9433       186.0781 21.23910 9.338739 29.39754 11.07643 -8.158432 
14.48790 
1 1 1 27  0   2  o 37.20558 7.676492  367.6603       128.4467 404.9055       
169.2464 317.0673       197.2558 39.79395 10.10733 34.61721 11.55664 5.176743 
15.35298 
1 1 1 27  0   3  o 29.89405 8.121362  130.9796       151.8995 407.8360       
247.1629 -37.05571      192.5556 38.12547 12.93626 21.66264 9.822392 16.46283 
16.24272 
1 1 1 27  0   4  o 29.20336 8.059647  182.9333       150.2356 55.56142       
232.0542 274.8460       197.1243 25.76477 11.27798 32.64195 11.51689 -6.877178 
16.11929 
1 1 1 27  0   5  o 24.88409 7.277010  90.98425       128.0410 -12.06504      
205.0424 156.8548       163.9331 22.85932 10.26155 26.90886 10.32086 -4.049541 
14.55402 
1 1 1 27  0   6  o 73.09435 5.670039  1269.675       166.8333 1167.793       
268.7806 1333.529       212.7854 69.44942 9.218290 76.73927 6.604580 -7.289848 
11.34008 
1 1 1 27  0   7  o 21.00205 6.824062  -71.13912      139.4696 -133.4571      
206.2681 -18.65123      189.3019 20.15357 9.465916 21.85053 9.831974 -1.696957 
13.64812 
1 1 1 27  0   8  o 56.65057 7.438876  794.0345       170.9296 1065.331       
268.5755 609.3372       221.6024 65.54811 9.759495 47.75303 11.22941 17.79508 
14.87775 
1 1 1 27  0   9  o 32.81104 8.086460  278.7831       138.8218 198.7354       
187.5612 375.7571       206.4413 28.85842 11.04802 36.76366 11.81121 -7.905237 
16.17292 
1 1 1 27  0   10 o 27.31004 7.810777  84.37164       145.3835 335.5469       
235.4760 -70.35104      184.8141 34.45031 12.54369 20.16977 9.310684 14.28054 
15.62155 
1 1 1 27  0   11 f 24.08091 6.986543  -6.998871      141.2487 -363.8362      
216.1919 258.7698       186.5761 16.98990 8.376953 31.17191 11.18364 -14.18202 
13.97309 
1 1 1 27  0   12 o 19.57153 6.549679  -134.4896      140.4148 -82.29520      
213.7696 -174.0984      186.2216 21.13634 9.854670 18.00671 8.630103 3.129633 
13.09936 
1 1 1 27  0   13 o 26.55041 7.716455  138.4407       145.7673 4.403121       
223.2821 237.9991       192.4330 23.24899 10.55446 29.85182 11.25958 -6.602829 
15.43291 
1 1 1 27  0   14 o 25.62451 7.654064  110.8330       142.3207 211.9733       
216.3931 33.73273       188.9337 28.75155 11.60392 22.49748 9.984376 6.254074 
15.30813 
1 1 1 27  0   15 o 18.12498 6.263232  -306.1692      161.7604 -130.8743      
216.7850 -526.3805      242.9765 19.93395 9.490543 16.31602 8.175688 3.617931 
12.52646 
1 1 1 27  0   16 o 31.51674 8.517258  297.7759       165.6225 437.1989       
233.8787 157.5229       234.5739 36.41590 12.57379 26.61758 11.49237 9.798319 
17.03452 
1 1 1 27  0   17 o 32.25294 8.960872  364.0320       184.6182 257.2169       
287.1599 439.2885       241.0345 29.05877 12.63301 35.44713 12.71204 -6.388363 
17.92174 
1 1 1 27  0   18 o 30.56682 9.090956  340.8184       198.0413 488.0731       
301.7675 229.4176       262.4714 33.80014 13.67767 27.33349 11.97929 6.466656 
18.18191 
1 1 1 27  0   19 o 21.58428 7.309907  -43.94809      191.3862 -176.4464      
293.7495 53.78094       252.2806 20.46190 10.03772 22.70666 10.62935 -2.244757 
14.61981 
1 1 1 27  0   20 o 24.43426 7.912715  93.84838       189.6094 368.7710       
280.5894 -137.2001      257.2276 29.18718 12.58508 19.68133 9.594795 9.505852 
15.82543 
1 1 1 27  1   0  f 41.69231 7.209687  428.7625       121.5381 385.7206       
151.6914 505.9334       203.1150 39.39825 9.307492 43.98638 11.01313 -4.588127 
14.41937 
1 1 1 27  1   1  o 28.73719 7.066121  193.4823       115.5262 290.7068       
147.1475 37.26077       186.5243 33.97662 9.783781 23.49776 10.19794 10.47886 
14.13224 
1 1 1 27  1   2  o 35.95673 7.543682  337.8319       122.8475 369.8000       
159.9370 291.8338       191.8498 38.27733 9.885985 33.63612 11.39719 4.641209 
15.08736 
1 1 1 27  1   3  o 37.31672 7.732516  365.6749       128.5097 335.3179       
204.8752 385.3667       165.0074 35.62239 11.77773 39.01105 10.02259 -3.388664 
15.46503 
1 1 1 27  1   4  f 24.02095 7.331546  19.72109       144.0151 -149.1857      
222.7033 141.1216       188.8049 20.90484 9.823721 27.13706 10.88581 -6.232222 
14.66309 
1 1 1 27  1   5  o 22.33950 7.084435  -24.49976      139.4020 -92.29118      
204.7209 34.10857       190.3508 21.10254 9.763382 23.57646 10.26807 -2.473915 
14.16887 
1 1 1 27  1   6  o 38.58303 7.768495  387.7186       147.4519 168.7353       
209.9988 600.6746       207.0886 28.64485 11.48474 48.52122 10.46417 -19.87638 
15.53699 
1 1 1 27  1   7  o 34.07810 8.269669  293.6882       152.1083 149.1745       
215.4399 437.3297       214.7888 28.03826 11.48147 40.11794 11.90486 -12.07968 
16.53934 
1 1 1 27  1   8  o 25.02484 7.662024  41.54254       147.2950 152.7739       
229.8360 -35.98239      191.8779 28.44347 11.78033 21.60621 9.800523 6.837265 
15.32405 
1 1 1 27  1   9  o 32.17018 7.757627  255.6268       133.3852 386.7610       
191.0129 130.8248       186.3440 37.96345 11.21718 26.37692 10.71905 11.58653 
15.51525 
1 1 1 27  1   10 o 23.38090 7.312966  -2.976471      141.7632 120.7065       
219.3756 -91.65783      185.7588 26.90543 11.34554 19.85636 9.230195 7.049072 
14.62593 
1 1 1 27  1   11 o 27.00861 7.626386  93.68123       142.6897 311.8835       
214.4080 -79.79010      191.1724 33.68631 11.99845 20.33090 9.417234 13.35542 
15.25277 
1 1 1 27  1   12 o 31.32415 7.735724  265.1139       128.6383 180.1972       
215.8107 311.9121       160.2106 28.40977 11.53871 34.23853 10.30650 -5.828764 
15.47145 
1 1 1 27  1   13 o 27.29185 8.026477  152.1692       152.1757 172.1040       
215.4364 132.3184       214.9820 27.93996 11.46800 26.64374 11.23309 1.296221 
16.05295 
1 1 1 27  1   14 o 40.63996 8.288368  467.7153       147.8297 557.4244       
229.6396 404.2302       193.1811 43.59851 12.11693 37.68141 11.31231 5.917099 
16.57674 
1 1 1 27  1   15 f 23.70131 7.557796  21.89756       159.7633 -30.84409      
219.9496 80.80296       232.4470 22.18534 10.20830 25.21728 11.14772 -3.031939 
15.11559 
1 1 1 27  1   16 o 20.41297 6.838196  -114.9093      156.2572 -70.60318      
212.5848 -166.9787      230.4578 20.86659 9.766086 19.95936 9.574304 0.9072266 
13.67639 
1 1 1 27  1   17 o 32.86483 8.845531  350.6797       169.0638 336.5974       
233.4097 366.2220       245.2114 32.40917 12.34861 33.32048 12.66829 
-0.9113121     17.69106 
1 1 1 27  1   18 o 32.45248 9.123092  321.7434       193.8127 620.8017       
304.0655 117.0953       251.5319 39.55723 14.26860 25.34773 11.37235 14.20951 
18.24618 
1 1 1 27  1   19 o 21.42213 7.277221  -91.64903      192.5085 -171.5795      
288.4022 -27.41616      258.5360 20.83099 10.15604 22.01328 10.42529 -1.182287 
14.55444 
1 1 1 27  1   20 o 28.05099 8.601560  299.1155       187.2170 306.0825       
271.5680 292.8054       258.4487 28.16215 12.26489 27.93983 12.06316 0.2223167 
17.20312 
1 1 1 27  2   0  o 72.17178 4.777983  1163.313       142.0499 1114.943       
182.5981 1237.456       226.0712 70.72186 6.149837 73.62170 7.314094 -2.899834 
9.555965 
1 1 1 27  2   1  o 26.70160 7.269052  123.4567       114.4428 54.32391       
144.6193 239.2778       187.1881 22.12019 9.264146 31.28300 11.20411 -9.162804 
14.53810 
1 1 1 27  2   2  o 42.41338 7.267314  426.0911       127.1386 625.9328       
208.2077 307.2705       160.5461 49.97632 10.27562 34.85044 10.27945 15.12588 
14.53463 
1 1 1 27  2   3  o 25.13982 7.475557  77.29846       135.0260 34.21209       
191.4733 119.9220       190.4420 23.75314 10.32091 26.52650 10.81733 -2.773354 
14.95111 
1 1 1 27  2   4  o 30.42627 8.175447  209.7718       145.3076 258.9644       
206.9350 161.9241       204.0865 32.37938 11.76197 28.47317 11.35816 3.906214 
16.35089 
1 1 1 27  2   5  o 23.00812 7.229619  -12.27447      140.9007 52.04149       
206.9579 -67.84211      192.3684 24.93620 10.78092 21.08003 9.635421 3.856174 
14.45924 
1 1 1 27  2   6  o 22.49146 7.136901  -20.99268      139.7618 -22.37059      
206.5057 -19.82808      189.8493 22.87137 10.28141 22.11154 9.901215 0.7598324 
14.27380 
1 1 1 27  2   7  o 28.36896 8.017258  153.7357       144.4203 223.6787       
219.0074 99.91873       192.1084 30.94508 11.91372 25.79284 10.73168 5.152239 
16.03452 
1 1 1 27  2   8  o 30.68387 8.134111  178.6788       152.9057 391.9246       
230.3595 10.72673       204.4366 37.82397 12.48878 23.54377 10.42523 14.28020 
16.26822 
1 1 1 27  2   9  o 50.33697 7.580316  620.8812       151.9980 817.6514       
250.9340 506.8434       191.0312 56.24449 11.01967 44.42945 10.41209 11.81504 
15.16063 
1 1 1 27  2   10 o 24.14592 7.260908  58.03207       130.9655 131.1376       
189.2787 -9.113390      181.3990 26.53713 10.79675 21.75471 9.711499 4.782413 
14.52182 
1 1 1 27  2   11 o 25.67933 7.623916  95.25644       142.4362 10.21758       
212.1269 165.0780       192.2126 23.59413 10.51808 27.76453 11.03931 -4.170401 
15.24783 
1 1 1 27  2   12 o 21.99986 7.099986  -55.59727      148.8173 -155.8579      
215.1241 36.41556       206.0858 20.07970 9.509684 23.92001 10.54538 -3.840302 
14.19997 
1 1 1 27  2   13 o 30.23851 8.447308  227.1524       158.0274 215.2159       
217.5468 240.4872       229.9366 29.71829 11.76688 30.75872 12.12306 -1.040438 
16.89462 
1 1 1 27  2   14 o 28.31503 8.002655  186.3718       140.7182 179.4098       
177.0576 198.3099       231.8546 27.52165 10.68793 29.10841 11.91378 -1.586761 
16.00531 
1 1 1 27  2   15 o 37.44510 7.733519  360.2824       165.5597 730.5923       
234.8050 -5.841738      233.4741 51.44331 11.18425 23.44688 10.68372 27.99643 
15.46704 
1 1 1 27  2   16 o 20.87547 7.012779  -139.2263      167.5084 -199.8370      
239.3534 -81.04553      234.5063 19.99782 9.632568 21.75313 10.19460 -1.755316 
14.02556 
1 1 1 27  2   17 o 30.17550 8.898897  256.2293       187.1372 253.0203       
281.5076 258.7703       250.5017 30.16339 12.79218 30.18761 12.37423 
-0.2421188E-01 17.79779 
1 1 1 27  2   18 o 23.52438 7.615003  17.45429       172.4349 89.68398       
237.3261 -63.31561      250.9646 24.88781 11.10920 22.16095 10.41820 2.726854 
15.23001 
1 1 1 27  2   19 o 31.84952 9.024686  320.7819       190.4735 562.8510       
290.8851 139.0815       252.0170 37.91755 13.92832 25.78149 11.47963 12.13606 
18.04937 
1 1 1 27  2   20 o 27.04302 8.441555  224.3362       187.8410 282.8187       
273.2604 171.9456       258.6370 28.37990 12.33045 25.70613 11.53253 2.673767 
16.88311 
1 1 1 27  2   21 o 22.77359 7.547039  41.00808       181.6513 175.7833       
271.8669 -67.68717      244.1499 25.14383 11.47699 20.40334 9.803569 4.740490 
15.09408 
1 1 1 27  3   0  o 51.40479 6.048892  626.0046       123.1030 630.1439       
156.7320 619.3387       198.8924 52.73332 7.079354 50.07625 9.810154 2.657070 
12.09778 
1 1 1 27  3   1  o 23.71347 7.096720  57.29141       120.6228 38.96791       
158.2207 82.72122       186.3936 22.31284 9.530595 25.11410 10.51768 -2.801260 
14.19344 
1 1 1 27  3   2  o 44.03741 7.990690  524.6624       152.7994 372.0409       
238.7973 630.4735       198.8326 37.33514 12.71545 50.73967 9.681008 -13.40453 
15.98138 
1 1 1 27  3   3  o 26.78216 7.893577  106.3663       146.7784 91.12896       
224.9005 117.6718       193.7233 26.90082 11.42247 26.66349 10.89777 0.2373257 
15.78715 
1 1 1 27  3   4  o 28.75188 8.035121  165.3051       144.4879 130.6259       
205.4522 199.2413       203.2392 27.51332 11.23026 29.99043 11.49495 -2.477106 
16.07024 
1 1 1 27  3   5  o 31.91920 8.188114  243.3984       141.8756 291.6226       
208.9781 202.1681       193.2308 33.92246 11.86892 29.91594 11.28315 4.006521 
16.37623 
1 1 1 27  3   6  o 45.31318 8.325652  540.8451       160.0977 508.8523       
225.4275 573.4031       227.4102 43.80213 11.93572 46.82423 11.61054 -3.022095 
16.65130 
1 1 1 27  3   7  o 35.19282 8.224970  321.8884       153.8892 144.7330       
237.4074 450.2642       202.0965 28.84420 11.96116 41.54144 11.29296 -12.69724 
16.44994 
1 1 1 27  3   8  o 26.24837 7.733188  46.08522       144.0890 248.4733       
234.0482 -77.43896      182.8474 32.18837 12.33603 20.30837 9.329047 11.88000 
15.46638 
1 1 1 27  3   9  o 31.72111 8.022572  248.1241       144.8917 100.1163       
230.0022 345.5065       186.5649 27.09573 11.52960 36.34650 11.15863 -9.250769 
16.04514 
1 1 1 27  3   10 o 28.96108 7.835511  178.8534       141.1421 49.82397       
212.6242 280.4990       188.7176 24.92534 10.85384 32.99682 11.30376 -8.071478 
15.67102 
1 1 1 27  3   11 o 46.81551 7.697980  576.0082       147.5009 545.8816       
226.1535 598.3109       194.5837 44.83627 11.83811 48.79475 9.843512 -3.958481 
15.39596 
1 1 1 27  3   12 o 33.48851 8.509503  300.0592       154.6058 348.9090       
210.4954 242.8363       227.8223 35.68464 11.93818 31.29237 12.12957 4.392275 
17.01901 
1 1 1 27  3   13 o 24.89367 7.725509  44.64026       155.4141 -16.01823      
210.8659 116.7749       229.9495 22.78353 10.30738 27.00382 11.51051 -4.220291 
15.45102 
1 1 1 27  3   14 o 20.12817 6.605725  -98.95748      138.5051 8.346906       
171.8938 -297.5809      233.8657 21.49885 9.534568 18.75749 9.145186 2.741365 
13.21145 
1 1 1 27  3   15 o 39.30345 8.323207  447.7939       151.7720 358.7175       
223.4352 524.1034       206.8043 35.11227 12.27380 43.49463 11.24530 -8.382362 
16.64641 
1 1 1 27  3   16 o 26.59017 8.278147  103.0630       179.8241 84.59518       
262.6651 119.3547       246.7039 26.36239 11.72949 26.81795 11.68460 
-0.4555626     16.55629 
1 1 1 27  3   17 o 37.52817 9.645271  462.4399       196.7315 563.8323       
295.7672 381.9843       263.4665 40.43472 14.12265 34.62162 13.14061 5.813095 
19.29054 
1 1 1 27  3   18 o 34.39420 9.376471  395.2831       193.6009 345.2255       
288.6526 436.2137       261.0148 32.67135 13.31947 36.11706 13.20093 -3.445705 
18.75294 
1 1 1 27  3   19 o 23.98061 7.691281  35.61394       168.1719 -61.64865      
226.2679 155.6538       251.3696 21.25510 9.970655 26.70612 11.71363 -5.451012 
15.38256 
1 1 1 27  3   20 o 32.53933 8.727281  303.5397       185.1171 664.5880       
280.9660 26.58581       246.0792 41.96755 13.79253 23.11110 10.69710 18.85645 
17.45456 
1 1 1 27  3   21 o 26.54174 8.031226  82.81052       175.6670 518.7170       
275.4875 -215.8849      228.0444 34.96866 13.38883 18.11482 8.873650 16.85384 
16.06245 
1 1 1 27  3   22 o 23.95699 7.629674  135.7530       152.4664 202.6139       
271.6888 105.0176       184.2064 25.56182 11.61453 22.35216 9.896987 3.209658 
15.25935 
1 1 1 27  4   0  o 35.44404 7.142218  314.4372       111.5036 346.3310       
161.8970 285.6559       153.7946 37.09262 10.11832 33.79546 10.08289 3.297169 
14.28444 
1 1 1 27  4   1  o 31.74484 6.294302  202.7268       122.8583 484.3360       
162.4256 -173.8394      187.8243 44.83925 8.944935 18.65044 8.857825 26.18881 
12.58860 
1 1 1 27  4   2  o 30.61198 8.246313  155.4537       152.9526 379.8304       
244.6438 11.46732       195.9774 37.77567 12.87016 23.44829 10.31337 14.32738 
16.49263 
1 1 1 27  4   3  o 28.64367 7.477709  127.1539       142.2239 -134.3029      
212.0902 340.7972       191.7191 20.84103 9.754231 36.44631 11.33665 -15.60528 
14.95542 
1 1 1 27  4   4  o 27.15319 7.280902  142.6037       123.9193 -10.93714      
201.0711 236.6378       157.3550 23.10399 10.27160 31.20240 10.32184 -8.098402 
14.56180 
1 1 1 27  4   5  o 35.55019 8.234663  317.4251       142.3365 392.3053       
212.8783 256.8824       191.4164 38.70362 11.92720 32.39675 11.35697 6.306866 
16.46933 
1 1 1 27  4   6  o 24.20988 7.434806  26.13258       140.4116 83.29591       
210.9162 -19.36557      188.1690 26.22225 11.09430 22.19750 9.900602 4.024750 
14.86961 
1 1 1 27  4   7  o 25.78447 7.739533  63.30444       145.1330 146.3405       
223.9029 3.135834       190.5949 28.64313 11.71291 22.92582 10.11974 5.717306 
15.47907 
1 1 1 27  4   8  o 26.37577 7.568415  95.72355       142.6135 -96.73926      
230.2001 215.6014       181.6777 22.46485 10.37817 30.28669 11.01895 -7.821838 
15.13683 
1 1 1 27  4   9  o 33.57915 7.287694  256.9546       133.2267 28.66863       
188.8139 483.3024       188.0106 23.46915 10.22388 43.68914 10.38818 -20.21999 
14.57539 
1 1 1 27  4   10 o 25.11052 7.483941  37.38160       139.6962 200.5518       
212.9625 -85.85828      185.0795 30.00706 11.70751 20.21397 9.325858 9.793098 
14.96788 
1 1 1 27  4   11 o 24.07311 7.404922  1.162997       148.8438 148.4995       
207.1902 -155.9695      213.9671 27.85273 11.30811 20.29350 9.563375 7.559225 
14.80984 
1 1 1 27  4   12 o 26.37184 7.848807  85.49688       151.9249 -20.36237      
210.7313 200.0658       219.2290 22.91830 10.33960 29.82539 11.81134 -6.907085 
15.69761 
1 1 1 27  4   13 o 25.47367 7.697657  46.73840       152.9416 -97.76666      
212.0089 203.5410       220.8458 21.15225 9.843467 29.79508 11.83731 -8.642838 
15.39531 
1 1 1 27  4   14 o 23.73197 7.382079  16.97642       138.2533 -46.58599      
173.6745 126.9363       228.4300 20.21078 9.210601 27.25316 11.53886 -7.042377 
14.76416 
1 1 1 27  4   15 o 24.68144 7.718082  36.15957       161.6520 122.2225       
215.9249 -73.58662      243.8313 26.56354 11.23130 22.79934 10.58929 3.764196 
15.43616 
1 1 1 27  4   16 o 32.45780 9.069651  272.0967       186.8160 435.0053       
280.1035 141.5679       250.7262 37.17926 13.66672 27.73635 11.92707 9.442915 
18.13930 
1 1 1 27  4   17 o 22.66830 7.558930  -110.7918      184.6242 -24.64864      
280.4606 -176.6689      245.2613 24.59895 11.39885 20.73765 9.930556 3.861300 
15.11786 
1 1 1 27  4   18 o 29.95758 8.854907  233.3843       193.1097 100.3171       
296.5823 331.3177       254.4340 27.08286 12.23976 32.83230 12.79945 -5.749439 
17.70981 
1 1 1 27  4   19 o 19.90235 6.825315  -249.0878      181.6905 -427.3823      
273.3163 -107.9100      243.2091 18.47888 9.177284 21.32582 10.10530 -2.846949 
13.65063 
1 1 1 27  4   20 f 24.32266 7.557401  68.90231       157.4694 219.1808       
218.3972 -93.81727      227.2576 28.01241 11.53032 20.63291 9.772866 7.379498 
15.11480 
1 1 1 27  4   21 o 23.64321 7.653593  58.84164       174.5563 -64.52877      
267.3837 150.4727       230.4362 21.92135 10.46644 25.36506 11.16976 -3.443703 
15.30719 
1 1 1 27  4   22 o 25.38781 7.789469  188.2036       155.7989 106.3379       
273.9481 227.3405       189.4134 24.13252 11.21454 26.64310 10.81376 -2.510578 
15.57894 
1 1 1 27  4   23 o 20.88593 7.097422  -68.72173      173.9432 113.0750       
276.1518 -188.2883      223.9544 23.79628 11.13581 17.97557 8.802687 5.820707 
14.19484 
1 1 1 27  5   0  o 66.36577 5.332732  999.4079       143.7769 985.2194       
181.7369 1023.145       235.0632 66.40460 6.518776 66.32693 8.441427 
0.7767487E-01  10.66546 
1 1 1 27  5   1  o 36.06593 8.488458  325.2949       148.2257 408.8496       
235.3327 270.3492       190.8375 39.12849 12.61463 33.00337 11.36164 6.125122 
16.97692 
1 1 1 27  5   2  o 27.11088 7.667992  107.4319       145.5518 -94.43502      
233.0993 236.4402       186.3447 22.76813 10.48968 31.45364 11.18745 -8.685507 
15.33598 
1 1 1 27  5   3  o 28.73510 7.843291  138.2086       140.7959 292.6516       
211.2168 14.70267       188.8811 34.20859 11.93582 23.26160 10.17865 10.94698 
15.68658 
1 1 1 27  5   4  o 34.30861 6.877575  220.6242       141.8579 -155.2240      
202.5931 582.1604       198.6983 19.95175 9.374052 48.66547 10.06635 -28.71372 
13.75515 
1 1 1 27  5   5  o 59.61652 6.127491  825.7912       152.9444 811.9390       
223.1223 838.0688       210.0602 58.90478 9.022222 60.32826 8.293618 -1.423481 
12.25498 
1 1 1 27  5   6  o 20.25443 6.726682  -146.9424      144.8947 -200.5845      
222.9293 -107.7065      190.6583 20.26322 9.636287 20.24565 9.388023 
0.1757050E-01  13.45336 
1 1 1 27  5   7  o 22.27406 6.906287  -35.35260      131.0768 106.1589       
185.0863 -177.7368      185.6561 26.05251 10.65073 18.49561 8.794833 7.556906 
13.81257 
1 1 1 27  5   8  o 21.99919 6.959070  -169.9230      139.6468 155.8710       
223.6824 -378.0086      178.7645 28.99646 11.75852 15.00192 7.446599 13.99453 
13.91814 
1 1 1 27  5   9  o 22.55342 7.128689  -16.46580      137.0952 -52.20333      
214.0949 8.373429       178.4897 22.66381 10.30109 22.44302 9.856998 0.2207890 
14.25738 
1 1 1 27  5   10 o 29.62710 7.869430  175.9462       145.1787 8.889404       
213.0269 320.8230       198.3818 24.05715 10.64863 35.19704 11.58958 -11.13989 
15.73886 
1 1 1 27  5   11 o 24.73046 7.663802  32.36677       152.9089 61.46279       
210.1426 -0.3732398     222.9137 25.29575 10.89901 24.16518 10.77716 1.130575 
15.32760 
1 1 1 27  5   12 o 28.18476 8.147098  149.9534       153.0462 137.0383       
212.5703 163.8537       220.5289 27.63517 11.37533 28.73436 11.66631 -1.099186 
16.29420 
1 1 1 27  5   13 o 31.58311 8.126941  253.2516       141.2525 293.4719       
182.7345 193.5414       222.6501 33.51423 11.12313 29.65198 11.85177 3.862255 
16.25388 
1 1 1 27  5   14 o 40.63961 8.668074  466.1109       163.6412 552.8516       
227.6869 373.4327       235.3505 44.83841 11.89631 36.44081 12.61030 8.397598 
17.33615 
1 1 1 27  5   15 o 30.25825 8.634316  213.4613       171.1115 270.0312       
239.1216 154.0952       244.9604 32.08685 12.42895 28.42964 11.98861 3.657211 
17.26863 
1 1 1 27  5   16 f 23.38698 7.708805  -136.1637      186.4406 92.07555       
284.9397 -307.0345      246.5424 27.56612 12.24418 19.20784 9.369248 8.358280 
15.41761 
1 1 1 27  5   17 o 28.85600 8.734862  174.0945       188.3790 146.6068       
284.4642 195.5643       251.4046 28.50976 12.48311 29.20223 12.22143 
-0.6924667     17.46972 
1 1 1 27  5   18 o 18.60298 6.474367  -355.7702      178.0181 -481.8982      
277.7727 -267.8595      231.9020 18.43150 9.167193 18.77446 9.145068 
-0.3429585     12.94873 
1 1 1 27  5   19 o 31.39054 8.345749  177.0197       171.5337 584.7939       
270.4281 -97.49316      221.8826 41.97285 13.52166 20.80823 9.786251 21.16462 
16.69150 
1 1 1 27  5   20 o 25.20264 7.757832  110.3632       155.5012 172.0700       
217.2564 45.54433       222.6673 26.86001 11.30677 23.54527 10.62510 3.314735 
15.51566 
1 1 1 27  5   21 o 19.37481 6.645243  -200.4661      169.6045 -346.8019      
268.7034 -103.5542      218.6685 18.74954 9.267182 20.00007 9.526611 -1.250532 
13.29049 
1 1 1 27  5   22 o 24.78278 7.812222  118.1919       152.4371 261.8123       
273.8014 53.67775       183.5079 28.02315 12.25865 21.54240 9.687556 6.480749 
15.62444 
1 1 1 27  5   23 o 23.00215 7.550619  77.99599       172.3880 111.1696       
269.6507 55.06619       224.1844 23.92551 11.12138 22.07879 10.21578 1.846722 
15.10124 
1 1 1 27  6   0  o 23.21313 6.914162  47.92459       118.7641 117.2743       
153.4872 -55.54816      187.4835 25.22300 9.916332 21.20327 9.637889 4.019724 
13.82832 
1 1 1 27  6   1  o 33.57880 8.301285  283.0642       145.2045 226.3507       
232.7894 319.1830       185.7746 31.72197 12.26831 35.43563 11.18633 -3.713665 
16.60257 
1 1 1 27  6   2  o 41.28818 8.057535  431.6088       145.4455 540.9907       
217.3208 342.8646       195.7485 45.96571 11.32097 36.61065 11.46870 9.355057 
16.11507 
1 1 1 27  6   3  o 27.85178 7.782594  143.0511       135.3758 189.3332       
196.5357 101.2675       186.7403 29.68727 11.32552 26.01628 10.67744 3.670990 
15.56519 
1 1 1 27  6   4  o 23.89274 7.018147  -67.55936      136.4407 232.3582       
200.2366 -327.5056      186.4165 31.59333 11.56084 16.19214 7.960188 15.40119 
14.03629 
1 1 1 27  6   5  o 31.02744 7.511270  186.9789       141.2910 -64.71394      
207.8183 403.3197       192.6715 22.22286 10.11354 39.83202 11.10824 -17.60916 
15.02254 
1 1 1 27  6   6  o 24.10974 7.476530  15.27554       144.8956 -17.10967      
221.7113 39.41940       191.4334 24.04880 10.73602 24.17068 10.40826 
-0.1218853     14.95306 
1 1 1 27  6   7  o 33.12235 8.336973  259.0599       144.5911 324.3780       
225.2902 213.3105       188.5464 35.70094 12.33942 30.54377 11.21424 5.157169 
16.67395 
1 1 1 27  6   8  o 45.92479 7.856436  533.7571       148.2796 554.5566       
230.2968 519.0287       193.7940 46.17691 11.82696 45.67268 10.34492 0.5042305 
15.71287 
1 1 1 27  6   9  o 27.22828 7.726913  117.5719       135.2135 212.0926       
208.6274 49.11292       177.5511 30.73192 11.68483 23.72465 10.11363 7.007275 
15.45383 
1 1 1 27  6   10 o 20.85023 6.848399  -119.8645      145.2459 -56.62983      
208.2087 -179.8085      202.7188 22.27664 10.13401 19.42382 9.214339 2.852821 
13.69680 
1 1 1 27  6   11 o 26.03420 7.780079  47.29196       153.6282 -96.61707      
212.1253 206.0396       222.7933 21.52157 9.950031 30.54683 11.96309 -9.025261 
15.56016 
1 1 1 27  6   12 o 57.76491 6.565800  761.7419       151.5269 584.9744       
191.3744 1058.779       248.0779 48.62771 9.717563 66.90211 8.832207 -18.27441 
13.13160 
1 1 1 27  6   13 o 30.78492 8.442038  222.0029       155.9138 230.2932       
214.5503 212.7255       226.9637 31.01412 11.83276 30.55573 12.04399 0.4583874 
16.88408 
1 1 1 27  6   14 f 47.34193 9.020008  609.5204       185.0397 452.8719       
241.9752 830.1331       287.1593 39.97976 12.78165 54.70410 12.73074 -14.72433 
18.04002 
1 1 1 27  6   15 o 26.58958 8.240928  72.13272       176.3148 118.3962       
257.6133 31.36510       241.8281 27.93228 12.05157 25.24688 11.24328 2.685400 
16.48186 
1 1 1 27  6   16 o 38.63316 9.774117  453.4817       200.6783 524.0298       
298.5849 395.3591       271.0176 40.76646 14.19441 36.49985 13.44069 4.266609 
19.54823 
1 1 1 27  6   17 o 19.46358 6.714145  -266.1562      164.8915 -255.8073      
286.5412 -271.2800      201.6199 21.54875 10.41508 17.37841 8.476144 4.170341 
13.42829 
1 1 1 27  6   18 o 24.41182 7.627095  5.925006       170.0185 -289.4284      
275.0424 188.5779       216.2928 20.50075 9.981204 28.32288 11.53542 -7.822128 
15.25419 
1 1 1 27  6   19 o 24.54849 7.683419  65.79238       156.7727 92.54518       
223.4109 39.83904       220.0475 25.28367 11.06668 23.81331 10.66153 1.470362 
15.36684 
1 1 1 27  6   20 o 24.35779 7.653649  69.18793       157.0013 52.14254       
217.8146 87.62097       226.5071 23.77712 10.62728 24.93846 11.01700 -1.161333 
15.30730 
1 1 1 27  6   21 o 31.75151 8.811964  324.9863       170.7088 319.7863       
269.7266 328.4611       220.4865 31.34653 12.84329 32.15649 12.06867 
-0.8099556     17.62393 
1 1 1 27  6   22 o 22.50882 7.262409  42.14755       148.6330 -22.98911      
265.5367 71.86756       179.3645 22.70646 10.68679 22.31117 9.836808 0.3952847 
14.52482 
1 1 1 27  6   23 f 20.31802 6.974800  -138.1192      186.1851 -223.4748      
268.4957 -59.05872      258.4051 19.39566 9.540911 21.24038 10.17656 -1.844719 
13.94960 
1 1 1 27  6   24 o 21.42710 7.258909  -100.0368      193.2431 -371.5669      
269.8446 185.8047       276.8646 17.63806 8.808921 25.21614 11.53993 -7.578079 
14.51782 
1 1 1 27  7   0  o 42.18867 7.039981  432.0109       121.5495 372.0865       
158.1584 518.4714       189.9763 38.75372 9.727400 45.62363 10.17954 -6.869904 
14.07996 
1 1 1 27  7   1  o 34.29776 8.266586  298.7694       146.4738 209.1589       
229.1058 360.7175       190.4894 31.05641 12.13777 37.53912 11.22588 -6.482702 
16.53317 
1 1 1 27  7   2  o 29.80138 7.723746  192.6609       123.4288 247.7544       
201.6661 159.6613       156.0764 32.22872 11.62070 27.37405 10.17764 4.854675 
15.44749 
1 1 1 27  7   3  f 23.85366 7.367227  18.82930       139.5100 3.128939       
203.3411 32.79243       191.7617 23.71270 10.46173 23.99463 10.37575 
-0.2819328     14.73445 
1 1 1 27  7   4  o 31.32998 7.764182  208.3043       139.8555 35.00843       
201.5695 369.1719       194.2071 24.54959 10.62705 38.11037 11.32237 -13.56078 
15.52836 
1 1 1 27  7   5  o 27.63905 7.732124  123.6852       141.4059 -8.997607      
211.1258 231.6282       190.4282 23.79920 10.55924 31.47889 11.29803 -7.679691 
15.46425 
1 1 1 27  7   6  o 31.26628 8.244337  216.3249       143.1474 259.9853       
223.6733 186.0374       186.2956 33.13148 12.20942 29.40108 11.08181 3.730404 
16.48867 
1 1 1 27  7   7  o 31.74315 7.615242  123.9661       140.5657 499.7690       
232.2531 -93.25948      176.5781 43.70571 12.19843 19.78059 9.119537 23.92512 
15.23048 
1 1 1 27  7   8  o 50.12952 6.090493  592.9456       123.5209 544.2764       
184.3172 632.6224       166.4205 47.37705 9.601506 52.88200 7.495833 -5.504944 
12.18099 
1 1 1 27  7   9  o 45.05024 7.233069  495.5309       133.7005 405.9118       
178.7677 609.2936       201.4135 40.21319 10.48266 49.88730 9.969103 -9.674110 
14.46614 
1 1 1 27  7   10 o 31.07126 8.184390  196.2400       151.8337 54.49161       
209.3898 353.4163       220.4905 25.31292 10.89263 36.82960 12.21833 -11.51668 
16.36878 
1 1 1 27  7   11 o 40.25099 8.636904  430.2203       159.3709 375.5549       
221.5091 488.8859       229.4708 37.68703 12.24652 42.81495 12.18225 -5.127922 
17.27381 
1 1 1 27  7   12 o 32.30389 8.167133  258.3397       139.5663 252.0268       
214.1216 263.0030       184.0314 32.17704 11.92935 32.43073 11.15790 
-0.2536888     16.33427 
1 1 1 27  7   13 f 75.09399 6.134161  1331.467       193.0418 1356.135       
267.2507 1304.554       279.1419 76.11403 8.363254 74.07395 8.975951 2.040077 
12.26832 
1 1 1 27  7   14 o 24.73654 7.723724  24.06924       156.8435 -20.91762      
211.7041 78.80418       233.5171 23.00309 10.37142 26.47000 11.44802 -3.466911 
15.44745 
1 1 1 27  7   15 o 22.66664 7.406203  -65.52723      156.6395 -65.10946      
273.5773 -65.73098      191.0558 24.51926 11.32211 20.81402 9.550767 3.705235 
14.81241 
1 1 1 27  7   16 o 29.32754 8.233705  116.4672       183.8823 -271.7170      
283.9532 396.8277       241.3161 21.50112 10.38790 37.15396 12.77760 -15.65284 
16.46741 
1 1 1 27  7   17 o 33.21542 8.691511  304.4974       163.9410 229.4302       
240.8222 369.3317       223.8070 30.52547 12.27381 35.90537 12.30947 -5.379902 
17.38302 
1 1 1 27  7   18 o 30.32166 8.292336  231.8746       154.0428 322.3484       
218.9798 143.2451       216.7364 33.61825 12.11050 27.02507 11.33080 6.593182 
16.58467 
1 1 1 27  7   19 o 23.82579 7.561656  16.38320       147.1996 131.2427       
258.3128 -38.85126      179.1297 27.33207 11.93200 20.31952 9.292032 7.012543 
15.12331 
1 1 1 27  7   20 o 28.24040 8.289183  181.2614       152.7285 272.6917       
267.7511 137.1652       185.9461 30.92110 12.75383 25.55969 10.59160 5.361410 
16.57837 
1 1 1 27  7   21 o 27.81243 8.254088  117.5034       152.2539 420.8651       
283.7378 -5.168941      180.4306 34.79993 13.52672 20.82494 9.462972 13.97499 
16.50818 
1 1 1 27  7   22 o 35.66765 9.455142  456.3276       196.4127 611.3190       
287.2927 320.3093       269.1345 40.36614 13.93602 30.96915 12.78226 9.396984 
18.91028 
1 1 1 27  7   23 o 30.96837 9.128304  360.4070       198.2691 264.0492       
270.8414 471.6701       291.0364 28.23518 12.27179 33.70155 13.51691 -5.466372 
18.25661 
1 1 1 27  7   24 o 23.07301 7.726612  38.73316       198.9451 -46.26618      
274.5236 132.7471       288.7141 21.55538 10.36645 24.59064 11.46032 -3.035267 
15.45322 
1 1 1 27  8   0  o 47.78147 6.927935  457.1710       132.1670 260.3268       
156.5880 944.7835       246.4533 32.42297 10.27363 63.13997 9.297183 -30.71700 
13.85587 
1 1 1 27  8   1  o 24.38742 7.326157  52.22984       133.4825 -28.29387      
204.5836 111.9189       176.1393 22.84813 10.25345 25.92670 10.46695 -3.078566 
14.65231 
1 1 1 27  8   2  o 26.96181 7.632088  108.3955       135.1563 217.3163       
197.7660 12.94053       185.1380 30.87387 11.46100 23.04976 10.08169 7.824110 
15.26418 
1 1 1 27  8   3  o 36.36576 6.926202  261.3116       144.4515 -105.4353      
201.1734 651.6617       207.5461 20.95280 9.688104 51.77872 9.900996 -30.82593 
13.85240 
1 1 1 27  8   4  o 30.46673 8.082697  205.2123       140.2291 186.1608       
208.2656 221.0126       189.6648 29.93102 11.59823 31.00244 11.26060 -1.071423 
16.16539 
1 1 1 27  8   5  o 58.85997 7.008802  838.2851       163.5341 785.3338       
258.5972 873.5736       211.1069 55.86996 11.41921 61.84999 8.129875 -5.980026 
14.01760 
1 1 1 27  8   6  o 26.65743 7.755495  104.0291       137.4473 117.9115       
217.1690 94.75224       177.5278 27.81993 11.48226 25.49494 10.42825 2.324989 
15.51099 
1 1 1 27  8   7  o 32.66890 7.809570  255.5791       140.4729 72.08446       
222.6955 376.8368       181.0316 26.57550 11.32771 38.76231 10.75363 -12.18681 
15.61914 
1 1 1 27  8   8  o 42.87643 7.842137  451.5510       142.1656 584.9428       
220.6516 356.8753       185.8923 48.15715 11.12853 37.59570 11.05226 10.56144 
15.68427 
1 1 1 27  8   9  o 31.88202 8.237187  232.6436       147.5937 146.7281       
211.5839 314.0735       205.9866 28.50321 11.48641 35.26084 11.80963 -6.757626 
16.47437 
1 1 1 27  8   10 o 45.77250 8.316121  543.0737       160.4298 525.7831       
220.2017 562.6342       234.2096 45.11658 11.57043 46.42842 11.94808 -1.311840 
16.63224 
1 1 1 27  8   11 o 47.11246 8.432981  569.9377       167.0106 466.1923       
221.0845 707.8270       254.8821 42.06445 11.95401 52.16048 11.89800 -10.09603 
16.86596 
1 1 1 27  8   12 o 35.40181 8.355337  312.8232       157.7592 473.3168       
219.7864 142.2559       226.5790 42.27621 11.88837 28.52741 11.74365 13.74881 
16.71067 
1 1 1 27  8   13 o 25.47233 7.654982  46.60153       139.1619 -30.67039      
173.4836 186.0589       233.0603 20.95316 9.421096 29.99151 12.06806 -9.038345 
15.30996 
1 1 1 27  8   14 o 23.12071 7.463371  -64.85724      155.7486 40.19527       
254.4321 -127.8130      196.9637 26.31660 11.64459 19.92481 9.338696 6.391796 
14.92674 
1 1 1 27  8   15 o 33.29410 9.204332  278.3851       191.0863 180.1482       
281.3875 362.4593       260.3147 30.45389 12.84601 36.13430 13.18556 -5.680410 
18.40866 
1 1 1 27  8   16 o 32.52198 8.536803  280.9914       157.8387 172.7222       
280.3194 331.2526       190.9929 29.95787 12.73738 35.08609 11.36957 -5.128225 
17.07361 
1 1 1 27  8   17 o 45.99561 9.113150  571.0668       179.2454 838.0018       
302.6067 426.7859       222.4744 53.30408 13.50081 38.68713 12.24443 14.61695 
18.22630 
1 1 1 27  8   18 o 21.75896 7.226373  -113.0125      163.7182 -50.27120      
258.7338 -154.9087      211.4286 23.75885 10.98612 19.75908 9.390797 3.999773 
14.45275 
1 1 1 27  8   19 o 26.66985 8.192306  115.3730       168.2695 110.6280       
267.2041 118.4915       216.6176 27.20803 11.99966 26.13167 11.15633 1.076361 
16.38461 
1 1 1 27  8   20 o 22.21367 7.355494  -99.82763      166.1361 58.96659       
266.5020 -200.7648      212.4755 25.67017 11.60183 18.75716 9.044933 6.913010 
14.71099 
1 1 1 27  8   21 o 35.70645 9.308417  406.2222       194.7140 607.6291       
282.4231 223.7569       268.8149 42.11955 13.82824 29.29334 12.46460 12.82620 
18.61683 
1 1 1 27  8   22 o 35.70360 9.376305  428.1654       198.3290 233.7393       
270.5326 654.0692       291.6111 28.95748 12.41850 42.44972 14.05138 -13.49224 
18.75261 
1 1 1 27  8   23 o 24.77144 8.029553  73.00451       192.2929 -27.86822      
269.5947 177.4704       274.3542 22.75536 10.72683 26.78753 11.95115 -4.032162 
16.05911 
1 1 1 27  8   24 o 28.54438 8.636464  292.8083       181.2492 339.7552       
289.1411 262.4196       232.6282 29.34508 12.71572 27.74368 11.69035 1.601397 
17.27293 
1 1 1 27  8   25 o 21.00944 7.221716  -111.7042      203.8610 -280.9480      
294.9264 43.14618       282.1066 19.21999 9.543684 22.79888 10.84116 -3.578894 
14.44343 
1 1 1 27  9   0  o 22.56385 7.048275  4.321035       122.9307 -6.240825      
149.2653 26.58760       216.7281 20.35250 8.973370 24.77519 10.87158 -4.422682 
14.09655 
1 1 1 27  9   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 27  9   2  o 27.99175 7.726833  154.6486       131.5233 138.3622       
188.1701 170.2054       183.9072 27.42430 10.91676 28.55920 10.93801 -1.134909 
15.45367 
1 1 1 27  9   3  o 23.33337 7.216397  13.58192       133.7741 19.75688       
196.8937 8.287456       182.3164 23.86614 10.41814 22.80060 9.988384 1.065542 
14.43279 
1 1 1 27  9   4  o 32.29884 8.274694  243.1700       143.1802 265.5123       
222.1046 227.2826       187.2920 33.35328 12.17861 31.24439 11.20553 2.108885 
16.54939 
1 1 1 27  9   5  o 22.32337 7.076106  -40.67854      139.4417 -136.0443      
213.2428 30.56223       184.3073 21.02276 9.817512 23.62399 10.19321 -2.601227 
14.15221 
1 1 1 27  9   6  o 52.01087 7.521103  650.0206       156.0581 771.2584       
249.9926 572.6091       199.7611 55.65322 11.09250 48.36851 10.15994 7.284714 
15.04221 
1 1 1 27  9   7  o 31.74963 7.737275  235.8692       120.7266 249.8053       
207.9766 228.7868       148.2631 32.56525 11.79527 30.93402 10.01666 1.631226 
15.47455 
1 1 1 27  9   8  o 22.40693 7.058331  -22.46532      133.1050 8.870755       
200.6036 -47.11273      177.9106 23.78623 10.44834 21.02763 9.492747 2.758598 
14.11666 
1 1 1 27  9   9  o 21.90844 7.082671  -79.90993      146.1060 -125.3200      
202.3998 -30.49972      211.1264 20.59687 9.597673 23.22001 10.41833 -2.623140 
14.16534 
1 1 1 27  9   10 o 27.15166 7.892231  102.6646       147.1078 22.85681       
203.7132 189.6354       212.6587 24.24200 10.58949 30.06133 11.70521 -5.819334 
15.78446 
1 1 1 27  9   11 o 26.06010 7.836737  68.05705       150.4004 14.86246       
206.2852 128.4223       219.7494 24.08231 10.58674 28.03790 11.55763 -3.955589 
15.67347 
1 1 1 27  9   12 o 24.32347 7.633883  2.012820       156.0341 -0.9837007     
214.9885 5.348160       226.8175 23.97713 10.64462 24.66981 10.94517 
-0.6926804     15.26777 
1 1 1 27  9   13 o 26.60348 7.842661  70.18332       156.5834 220.7944       
214.0458 -103.2071      229.6629 30.93921 11.81457 22.26775 10.31723 8.671463 
15.68532 
1 1 1 27  9   14 o 29.12211 8.604190  139.9028       181.3846 9.368063       
279.5403 234.8279       238.3812 26.56878 11.95178 31.67545 12.38076 -5.106663 
17.20838 
1 1 1 27  9   15 o 37.65700 8.926445  394.9190       182.5130 181.3553       
280.9238 550.9036       240.0853 30.59353 12.86680 44.72046 12.37623 -14.12692 
17.85289 
1 1 1 27  9   16 o 36.60414 9.185372  366.4608       171.2207 426.0034       
290.6607 334.8190       211.8862 38.07785 13.92919 35.13043 11.97756 2.947426 
18.37074 
1 1 1 27  9   17 o 30.91607 8.027681  246.6701       149.0185 39.44913       
267.0197 340.4035       179.5865 26.21795 11.74112 35.61420 10.95083 -9.396248 
16.05536 
1 1 1 27  9   18 o 26.72568 8.193284  86.85048       167.4181 195.6452       
265.4557 14.99530       215.7333 29.84532 12.52774 23.60604 10.56293 6.239285 
16.38657 
1 1 1 27  9   19 o 24.47229 7.805681  21.00819       165.6033 62.37080       
266.0331 -5.159484      211.5994 26.18639 11.72339 22.75819 10.30906 3.428200 
15.61136 
1 1 1 27  9   20 f 24.32323 7.869829  -7.727142      181.2171 82.16694       
266.4392 -85.10771      247.2001 26.33312 11.76216 22.31334 10.45889 4.019785 
15.73966 
1 1 1 27  9   21 o 36.92175 9.688589  461.6296       199.6833 445.0650       
276.3913 479.7159       288.8075 36.45282 13.54566 37.39067 13.85605 
-0.9378548     19.37718 
1 1 1 27  9   22 o 33.05174 9.405108  365.7843       201.9315 425.4647       
283.3910 304.2289       287.8087 34.89224 13.52753 31.21124 13.07020 3.681000 
18.81022 
1 1 1 27  9   23 o 26.79323 8.327167  92.96816       194.6631 -168.4499      
266.8006 390.5485       284.6565 20.80663 10.05528 32.77983 13.27622 -11.97320 
16.65433 
1 1 1 27  9   24 o 23.83029 7.933330  36.51973       204.3218 110.5345       
293.5760 -33.01129      284.5449 25.07335 11.63542 22.58723 10.78740 2.486122 
15.86666 
1 1 1 27  9   25 o 25.82492 8.337234  195.7509       202.6355 299.6536       
292.6919 100.1084       280.8166 27.78192 12.37084 23.86793 11.18035 3.913996 
16.67447 
1 1 1 27  10  0  o 45.07437 7.498271  488.1155       127.5941 454.1853       
149.1261 580.8246       246.5028 43.64972 8.438735 46.49902 12.39694 -2.849308 
14.99654 
1 1 1 27  10  1  o 19.80074 6.472363  -98.07891      126.8548 -68.67492      
184.8278 -124.2656      174.4234 20.76053 9.472043 18.84095 8.823056 1.919584 
12.94473 
1 1 1 27  10  2  o 50.67467 10.03782  629.7828       205.9602 0.000000       
0.000000 629.7828       205.9602 ?        ?        50.67467 10.03782 ? ? 
1 1 1 27  10  3  f 35.43670 8.359002  316.6792       145.8212 344.0024       
211.3124 291.8387       201.4832 36.63910 11.96133 34.23431 11.67982 2.404793 
16.71800 
1 1 1 27  10  4  o 54.46786 7.167340  730.1288       157.3071 496.9263       
221.1465 968.9807       223.8092 43.88338 11.76134 65.05235 8.194756 -21.16896 
14.33468 
1 1 1 27  10  5  o 30.94780 7.818004  153.5601       142.3262 413.0663       
222.3546 -26.55933      185.2476 39.89199 12.16886 22.00362 9.818530 17.88837 
15.63601 
1 1 1 27  10  6  o 31.15427 8.098606  218.1439       136.6158 234.5616       
220.5025 207.9155       174.0450 32.13690 12.06757 30.17164 10.80386 1.965260 
16.19721 
1 1 1 27  10  7  o 24.23438 7.289404  33.88698       130.6893 121.7162       
199.1753 -32.51503      173.1835 27.30685 11.08698 21.16192 9.466811 6.144924 
14.57881 
1 1 1 27  10  8  o 40.02763 7.733158  404.6691       133.1214 415.5050       
176.2012 390.2588       203.1956 40.96486 10.25813 39.09041 11.57487 1.874447 
15.46632 
1 1 1 27  10  9  f 21.82475 6.850713  -41.68922      132.5148 71.90984       
167.6083 -231.0881      216.4197 24.18623 10.04115 19.46327 9.322248 4.722965 
13.70143 
1 1 1 27  10  10 o 33.84375 8.214378  262.3641       153.2589 433.3233       
217.1723 92.75684       216.3120 40.81414 11.92929 26.87336 11.29585 13.94078 
16.42876 
1 1 1 27  10  11 o 25.39937 7.696057  40.61778       152.4635 139.6481       
205.8329 -79.76537      226.9413 27.99533 11.30959 22.80340 10.44080 5.191927 
15.39211 
1 1 1 27  10  12 o 24.59922 7.616057  5.123134       155.5718 115.7684       
210.6091 -127.7516      230.7979 27.25663 11.28208 21.94181 10.23387 5.314821 
15.23211 
1 1 1 27  10  13 o 73.57137 6.459137  1273.349       198.5854 1451.549       
293.0824 1122.094       270.0176 78.51933 8.890665 68.62340 9.372187 9.895927 
12.91827 
1 1 1 27  10  14 o 25.55337 7.990894  21.41405       160.4791 99.59422       
274.7398 -19.07420      197.7142 28.57453 12.38861 22.53222 10.09653 6.042311 
15.98179 
1 1 1 27  10  15 o 24.64609 7.879286  -21.92094      170.6039 30.22296       
273.8489 -54.99493      218.0984 26.72284 11.93073 22.56935 10.29516 4.153492 
15.75857 
1 1 1 27  10  16 o 34.66806 7.860538  293.2130       170.1895 -138.7430      
274.3799 563.3211       216.9709 23.29185 10.93573 46.04427 11.29434 -22.75243 
15.72108 
1 1 1 27  10  17 o 28.18646 8.368191  136.7250       165.2569 214.9659       
258.8975 82.92713       214.6808 30.72183 12.58433 25.65109 11.03364 5.070745 
16.73638 
1 1 1 27  10  18 o 22.92005 7.284862  6.976571       142.0854 -108.6989      
262.3985 54.96387       169.0067 22.98068 10.77240 22.85942 9.809809 0.1212616 
14.56972 
1 1 1 27  10  19 o 29.17869 8.515267  132.4865       184.6897 382.2582       
266.5271 -98.23674      256.1624 35.63506 13.28979 22.72232 10.64991 12.91274 
17.03053 
1 1 1 27  10  20 o 26.86473 8.372428  72.83729       192.4338 -99.49948      
274.4545 239.4871       269.8881 23.16462 10.89144 30.56484 12.71876 -7.400221 
16.74486 
1 1 1 27  10  21 o 29.06954 8.309074  202.9242       171.5635 339.1283       
221.7899 0.4319341E-02  270.7130 33.59755 12.17954 24.54154 11.30582 9.056004 
16.61815 
1 1 1 27  10  22 o 31.18669 8.617261  289.6425       175.7311 397.8210       
225.0147 120.4945       281.3675 35.48663 12.32546 26.88676 12.04624 8.599869 
17.23452 
1 1 1 27  10  23 o 22.94142 7.574340  -50.64332      175.5530 132.4527       
278.5168 -171.3381      226.1289 26.50913 11.92714 19.37370 9.339477 7.135435 
15.14868 
1 1 1 27  10  24 o 36.39709 10.04786  563.8904       221.6170 593.0491       
322.9770 537.9465       304.6526 36.90905 14.41423 35.88512 14.00243 1.023926 
20.09572 
1 1 1 27  10  25 o 24.52474 8.070324  95.99397       203.2995 258.3671       
296.0414 -48.92117      279.6741 27.24927 12.27637 21.80022 10.47909 5.449051 
16.14065 
1 1 1 27  10  26 o 17.76311 8.964218  -541.4829      317.4979 -541.4829      
317.4979 0.000000       0.000000 17.76311 8.964218 ?        ?        ? ? 
1 1 1 27  11  0  o 25.28820 7.141199  38.90714       136.1708 252.6477       
183.4844 -223.1450      203.1653 31.93084 11.12625 18.64556 8.955077 13.28528 
14.28240 
1 1 1 27  11  1  o 25.32968 7.306759  81.97333       127.0076 181.6373       
183.8458 -9.018188      175.6649 28.87536 10.97184 21.78400 9.652645 7.091362 
14.61352 
1 1 1 27  11  2  f 25.75071 7.482117  95.55532       131.9639 31.12100       
195.7343 149.2504       178.6799 24.02957 10.43797 27.47184 10.72273 -3.442270 
14.96423 
1 1 1 27  11  3  o 21.70112 6.985368  -81.14584      141.6790 12.00771       
206.7180 -163.6664      194.5628 24.07226 10.58999 19.32998 9.112271 4.742289 
13.97074 
1 1 1 27  11  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 27  11  5  o 36.97936 8.754741  350.9901       160.0482 350.0850       
223.3693 351.9450       229.4373 36.94522 12.29783 37.01350 12.46376 
-0.6828308E-01 17.50948 
1 1 1 27  11  6  o 23.82039 7.217086  10.76111       130.8755 131.1352       
201.8023 -76.61962      171.9362 27.71743 11.19790 19.92336 9.107817 7.794069 
14.43417 
1 1 1 27  11  7  o 24.97772 7.160501  50.35546       132.2021 -155.9559      
202.6843 203.1199       174.4094 20.01694 9.398286 29.93849 10.80571 -9.921555 
14.32100 
1 1 1 27  11  8  o 28.00375 7.962111  138.3290       143.3312 145.9059       
201.7528 130.6081       203.6626 28.25452 11.28611 27.75297 11.23408 0.5015488 
15.92422 
1 1 1 27  11  9  o 24.03833 7.077474  21.31667       132.4731 -190.8579      
204.1393 175.6661       174.1135 19.43556 9.232517 28.64109 10.72955 -9.205528 
14.15495 
1 1 1 27  11  10 o 34.51861 8.467826  293.9209       150.8547 238.8766       
209.0320 353.7496       217.9274 31.98530 11.80102 37.05191 12.14711 -5.066607 
16.93565 
1 1 1 27  11  11 o 21.23166 6.915649  -111.7987      134.9336 -183.1305      
167.5062 20.03675       227.7223 17.24833 8.246928 25.21499 11.10374 -7.966656 
13.83130 
1 1 1 27  11  12 o 31.20331 8.403578  200.0558       156.3339 95.45305       
209.0199 332.8688       235.5247 26.54565 11.12841 35.86098 12.59519 -9.315327 
16.80716 
1 1 1 27  11  13 o 23.94097 7.576056  -30.99696      160.9171 71.63039       
220.8781 -147.0797      234.9119 26.16601 11.22123 21.71593 10.18188 4.450079 
15.15211 
1 1 1 27  11  14 o 70.26416 6.765543  1184.498       198.5173 1344.687       
287.3056 1038.146       274.6160 75.23055 9.096429 65.29778 10.01725 9.932770 
13.53109 
1 1 1 27  11  15 o 28.93656 7.409738  169.6024       146.2426 -282.2567      
278.3422 341.9023       171.8779 21.46924 10.35265 36.40388 10.60375 -14.93464 
14.81948 
1 1 1 27  11  16 o 38.66491 8.970807  420.0953       167.8770 393.4089       
268.0747 437.3131       215.3271 37.28970 13.40282 40.04012 11.92753 -2.750423 
17.94161 
1 1 1 27  11  17 f 35.83673 8.901481  318.5829       167.3366 542.6440       
272.1153 182.3243       212.2031 42.80178 13.54126 28.87169 11.55767 13.93009 
17.80296 
1 1 1 27  11  18 o 38.18289 7.941712  364.3689       179.6517 -73.12332      
262.6610 748.9400       246.2627 23.69933 11.00085 52.66645 11.45707 -28.96712 
15.88342 
1 1 1 27  11  19 o 31.29389 8.937602  213.4977       192.5141 422.3501       
278.8248 23.22902       266.1308 37.07339 13.63474 25.51440 11.55927 11.55899 
17.87520 
1 1 1 27  11  20 o 30.51418 8.950894  234.7195       188.1998 225.0394       
267.7018 244.1790       264.6341 30.24822 12.63212 30.78013 12.68477 
-0.5319118     17.90179 
1 1 1 27  11  21 o 27.02261 8.402757  109.3245       187.9118 9.609097       
265.8613 208.8692       265.6336 24.68794 11.30241 29.35728 12.43707 -4.669346 
16.80551 
1 1 1 27  11  22 o 37.27839 9.556949  466.3198       200.9021 619.9111       
284.3789 313.2898       283.8588 42.62129 13.87604 31.93550 13.14521 10.68580 
19.11390 
1 1 1 27  11  23 o 36.70759 9.661637  485.3572       206.5915 348.1527       
296.1168 615.4735       288.3665 32.15104 13.34708 41.26413 13.97299 -9.113087 
19.32327 
1 1 1 27  11  24 o 23.83585 7.788946  -53.76825      191.8494 -327.3485      
260.9756 267.9182       282.9918 18.57292 9.168560 29.09878 12.59398 -10.52586 
15.57789 
1 1 1 27  11  25 o 31.28217 8.964440  392.0593       191.6560 278.0297       
300.6605 470.1096       248.7451 28.01768 12.50519 34.54667 12.84776 -6.528997 
17.92888 
1 1 1 27  11  26 o 27.94260 8.720551  274.7076       208.7785 520.9017       
304.4708 56.21118       286.8329 32.76865 13.56445 23.11656 10.96347 9.652090 
17.44110 
1 1 1 27  12  0  o 50.33479 7.706733  634.9799       156.0703 562.6308       
201.6593 743.0381       246.4510 47.09127 10.47415 53.57831 11.30783 -6.487038 
15.41347 
1 1 1 27  12  1  o 19.96557 6.497517  -82.24717      125.7787 -81.18063      
184.6516 -83.17041      171.7989 20.37061 9.364904 19.56054 9.009411 0.8100681 
12.99503 
1 1 1 27  12  2  o 25.25839 7.321661  68.95266       134.2288 -91.39635      
203.4268 192.6014       178.6364 21.24599 9.792546 29.27079 10.88728 -8.024792 
14.64332 
1 1 1 27  12  3  o 33.45527 8.216176  276.9541       141.4516 302.7013       
204.1963 253.2003       196.1328 34.60032 11.75820 32.31021 11.47898 2.290100 
16.43235 
1 1 1 27  12  4  o 29.17736 8.148174  165.1896       149.1575 218.9504       
207.8615 108.1209       214.1608 31.10351 11.70926 27.25120 11.33421 3.852308 
16.29635 
1 1 1 27  12  5  o 22.17919 10.37921  -145.2558      239.9116 0.000000       
0.000000 -145.2558      239.9116 ?        ?        22.17919 10.37921 ? ? 
1 1 1 27  12  6  o 25.23149 11.30361  -17.76382      247.6967 -17.76382      
247.6967 0.000000       0.000000 25.23149 11.30361 ?        ?        ? ? 
1 1 1 27  12  7  o 33.35136 8.302532  263.7398       154.7656 382.5118       
205.8762 109.4005       234.6861 38.60138 11.69618 28.10135 11.78675 10.50003 
16.60506 
1 1 1 27  12  8  o 30.40871 8.019651  183.2217       147.4616 325.3308       
206.5120 35.38363       210.6336 35.84811 11.82468 24.96932 10.83679 10.87879 
16.03930 
1 1 1 27  12  9  o 55.16634 6.977467  731.6966       158.1046 764.3853       
222.8041 698.5404       224.3916 57.05609 9.301270 53.27659 10.40320 3.779499 
13.95493 
1 1 1 27  12  10 o 19.32252 6.501396  -202.9828      145.0102 -242.8396      
199.1533 -158.0056      211.5593 18.22134 8.779234 20.42370 9.591540 -2.202360 
13.00279 
1 1 1 27  12  11 f 40.96276 8.326385  405.1489       161.9212 203.3873       
212.8172 682.5020       249.5193 30.52507 11.74578 51.40044 11.80472 -20.87537 
16.65277 
1 1 1 27  12  12 o 35.08739 8.782649  286.1753       173.5486 483.6293       
252.3845 109.0654       239.0293 42.16448 12.98546 28.01029 11.82867 14.15419 
17.56530 
1 1 1 27  12  13 o 25.52801 7.922593  -5.154559      174.1104 -221.6854      
267.0730 154.8904       229.6101 22.02343 10.50210 29.03260 11.86489 -7.009171 
15.84519 
1 1 1 27  12  14 o 50.19054 9.034391  694.6469       188.8463 650.4400       
305.0512 722.1161       240.4642 47.36081 14.21469 53.02027 11.15453 -5.659466 
18.06878 
1 1 1 27  12  15 o 28.76935 8.155516  140.7741       166.8713 -109.8568      
272.0945 291.8711       211.2664 23.91306 11.13720 33.62563 11.91690 -9.712568 
16.31103 
1 1 1 27  12  16 o 29.90625 8.199541  82.71983       164.5783 451.9272       
264.2278 -151.3146      210.3697 39.67313 13.37538 20.13936 9.488366 19.53378 
16.39908 
1 1 1 27  12  17 o 30.68304 8.678152  217.6823       166.5425 234.5425       
266.4605 206.8736       213.3489 31.55550 12.81974 29.81057 11.70023 1.744928 
17.35630 
1 1 1 27  12  18 o 33.40392 8.707321  304.2006       168.2577 179.7440       
263.6951 389.6704       218.5243 29.62206 12.46248 37.18579 12.16373 -7.563725 
17.41464 
1 1 1 27  12  19 o 31.17539 8.468451  150.4308       188.7879 -210.9907      
267.0192 511.6752       266.9537 21.47129 10.30108 40.87948 13.44420 -19.40818 
16.93690 
1 1 1 27  12  20 o 22.43278 7.467927  -139.6648      185.9152 -284.4209      
266.4565 -2.338883      259.5281 20.27996 9.859605 24.58559 11.21909 -4.305628 
14.93585 
1 1 1 27  12  21 o 40.72395 9.152742  514.4167       174.6728 493.5071       
230.5948 542.5665       267.5548 40.38498 12.40715 41.06292 13.45932 
-0.6779404     18.30548 
1 1 1 27  12  22 o 30.62039 9.012942  254.8389       197.2915 133.7107       
284.4337 367.1530       273.8896 27.47442 12.21559 33.76636 13.25563 -6.291943 
18.02588 
1 1 1 27  12  23 o 25.58517 8.262955  65.24128       197.3546 127.1422       
290.9988 12.52116       268.5535 26.96333 12.15815 24.20702 11.19309 2.756306 
16.52591 
1 1 1 27  12  24 o 24.39221 7.912659  54.55833       177.6994 130.2186       
294.8713 11.41142       222.6759 26.41651 12.02873 22.36792 10.28350 4.048592 
15.82532 
1 1 1 27  12  25 o 24.56206 8.107104  82.11974       207.6124 13.71554       
311.8129 136.5946       278.2600 23.79365 11.34660 25.33048 11.58254 -1.536827 
16.21421 
1 1 1 27  12  26 o 24.97136 8.171997  154.5240       204.9270 222.3142       
293.1007 89.69442       286.6289 26.18844 11.94301 23.75428 11.15754 2.434162 
16.34399 
1 1 1 27  13  0  o 24.02216 7.890743  -161.9973      187.5635 91.97759       
300.3577 -324.3468      240.1423 28.97233 12.75530 19.07198 9.292877 9.900343 
15.78149 
1 1 1 27  13  1  o 29.68767 8.460928  178.2910       164.7447 89.90838       
261.8890 236.1696       211.9301 27.93902 12.10399 31.43633 11.82551 -3.497311 
16.92186 
1 1 1 27  13  2  o 30.42828 8.779830  170.9984       176.3048 267.5374       
270.8821 100.0481       232.2236 33.49292 13.17171 27.36364 11.61239 6.129280 
17.55966 
1 1 1 27  13  3  o 39.58419 8.111487  404.6734       156.7004 607.2121       
219.5089 194.1988       223.7680 48.87408 10.96840 30.29430 11.95321 18.57979 
16.22297 
1 1 1 27  13  4  o 22.17328 7.011422  -98.29886      141.4920 109.6240       
210.0159 -271.1165      191.4676 27.07733 11.24056 17.26923 8.383909 9.808096 
14.02284 
1 1 1 27  13  5  o 43.11142 9.379828  496.7963       187.2307 401.5621       
250.6434 617.0287       281.6246 38.82579 13.02702 47.39705 13.49895 -8.571262 
18.75966 
1 1 1 27  13  6  o 29.26044 8.482959  81.09701       179.9860 -128.0321      
246.4037 320.3190       263.5364 22.81297 10.61462 35.70791 13.23526 -12.89494 
16.96592 
1 1 1 27  13  7  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 27  13  8  o 29.97882 8.723714  158.1568       176.1419 185.2821       
228.7796 118.6717       276.0236 30.33332 12.04903 29.62432 12.61878 0.7089996 
17.44743 
1 1 1 27  13  9  o 29.58046 7.910124  158.3352       147.7197 319.4837       
205.5963 -13.62834      212.3833 35.48932 11.79844 23.67159 10.53931 11.81772 
15.82025 
1 1 1 27  13  10 o 35.50207 8.111459  320.5642       136.4470 332.8098       
171.9767 299.7592       224.1630 36.40088 10.60806 34.60326 12.27404 1.797619 
16.22292 
1 1 1 27  13  11 o 30.43779 8.538064  190.0518       162.6326 165.2314       
225.6702 216.8714       234.5831 29.43617 11.86251 31.43940 12.28312 -2.003233 
17.07613 
1 1 1 27  13  12 o 48.23331 8.432949  605.2302       166.7193 629.6650       
268.5121 589.9003       212.6822 48.12860 12.98726 48.33801 10.76056 
-0.2094040     16.86590 
1 1 1 27  13  13 o 26.00160 8.098146  34.75380       168.6307 54.80396       
264.7752 21.07110       218.7280 27.32380 12.00299 24.67940 10.87419 2.644398 
16.19629 
1 1 1 27  13  14 o 32.33480 8.510154  199.4923       145.6156 433.3774       
271.2434 104.7937       172.5956 39.36241 13.54583 25.30719 10.30540 14.05522 
17.02031 
1 1 1 27  13  15 o 23.20185 7.495314  -71.08696      159.1650 38.72159       
255.8102 -140.4501      203.3125 26.36346 11.66933 20.04023 9.409877 6.323229 
14.99063 
1 1 1 27  13  16 o 26.44688 8.083312  76.79945       161.1076 119.7304       
256.1566 48.70351       207.2250 28.26406 12.10133 24.62970 10.71996 3.634367 
16.16662 
1 1 1 27  13  17 o 22.76550 7.288647  -38.03794      154.2115 -255.6639      
270.0438 67.27631       187.8549 21.26089 10.23865 24.27011 10.37630 -3.009230 
14.57729 
1 1 1 27  13  18 o 33.07999 8.968443  272.1884       184.3832 438.6742       
262.6360 110.3827       258.9183 38.49154 13.32113 27.66844 12.01163 10.82310 
17.93689 
1 1 1 27  13  19 o 31.73137 8.683671  265.9340       168.5687 325.0388       
220.8818 183.4986       260.8587 34.04247 12.17293 29.42026 12.38726 4.622213 
17.36734 
1 1 1 27  13  20 o 25.97850 8.078810  77.41068       168.3802 136.3985       
261.3135 35.52995       220.1851 27.86040 12.08060 24.09659 10.72976 3.763817 
16.15762 
1 1 1 27  13  21 o 30.62121 8.778009  247.6550       171.5912 271.9447       
282.5696 233.4657       215.9715 31.46362 13.04849 29.77879 11.74524 1.684828 
17.55602 
1 1 1 27  13  22 o 26.14100 8.241146  94.13779       175.8910 129.5446       
299.8647 75.56569       217.1763 27.73701 12.43132 24.54500 10.82258 3.192005 
16.48229 
1 1 1 27  13  23 o 25.67106 8.281469  62.69244       198.0261 135.5045       
290.2531 -0.7123465     270.8546 27.23375 12.21750 24.10838 11.18318 3.125374 
16.56294 
1 1 1 27  13  24 o 30.12000 9.142900  237.5077       219.4599 -4.397605      
299.7125 517.1383       322.2363 24.26343 11.40036 35.97656 14.29693 -11.71313 
18.28580 
1 1 1 27  13  25 o 21.40489 7.300538  -155.5383      201.4442 -390.4749      
294.4358 51.20907       276.2074 18.89371 9.402762 23.91607 11.17047 -5.022352 
14.60108 
1 1 1 27  13  26 o 24.96779 7.957452  49.71076       197.6120 428.0899       
278.1620 -335.8451      280.7876 31.45308 12.98920 18.48250 9.195913 12.97058 
15.91490 
1 1 1 27  13  27 o 25.64161 11.24951  213.7471       231.9620 213.7471       
231.9620 0.000000       0.000000 25.64161 11.24951 ?        ?        ? ? 
1 1 1 27  14  0  o 26.98302 7.886200  83.24899       163.5233 -185.5803      
260.7368 257.5408       209.9435 21.99984 10.44283 31.96619 11.82014 -9.966349 
15.77240 
1 1 1 27  14  1  o 24.56665 7.806410  -16.97246      164.7867 67.01688       
261.0245 -72.62759      212.4819 27.20665 11.93480 21.92665 10.06582 5.280001 
15.61282 
1 1 1 27  14  2  o 25.91014 7.631411  21.10772       163.4291 -362.3574      
268.8818 245.7704       205.8088 20.06914 9.788500 31.75115 11.71064 -11.68202 
15.26282 
1 1 1 27  14  3  o 31.99218 8.671260  243.9056       163.7626 111.2449       
306.3861 296.9630       193.7630 29.88850 13.02198 34.09587 11.45387 -4.207365 
17.34252 
1 1 1 27  14  4  o 27.04020 7.937404  96.55869       157.4137 -113.2324      
269.1788 205.5903       194.0544 23.97617 11.13211 30.10422 11.31750 -6.128042 
15.87481 
1 1 1 27  14  5  o 41.51755 9.070866  447.0330       182.2732 272.1490       
245.2765 662.7310       272.3981 33.55610 12.69566 49.47900 12.95927 -15.92291 
18.14173 
1 1 1 27  14  6  o 30.22802 8.742229  165.6864       178.3930 232.8554       
247.8642 93.50114       256.9528 32.24249 12.62007 28.21355 12.10124 4.028938 
17.48446 
1 1 1 27  14  7  o 31.86494 8.801827  205.2069       171.9073 110.5842       
227.7835 330.4153       262.0240 27.75482 11.62542 35.97505 13.21886 -8.220232 
17.60365 
1 1 1 27  14  8  o 30.71369 8.755527  158.6722       174.4564 54.49180       
226.5201 310.5541       273.5060 26.07461 11.27609 35.35276 13.39727 -9.278152 
17.51105 
1 1 1 27  14  9  o 23.98866 10.84561  -38.84655      233.0918 -38.84655      
233.0918 0.000000       0.000000 23.98866 10.84561 ?        ?        ? ? 
1 1 1 27  14  10 o 37.12150 8.072417  299.3165       163.8487 19.46389       
222.2701 632.3762       242.4808 24.92521 10.97310 49.31778 11.84258 -24.39257 
16.14483 
1 1 1 27  14  11 o 31.88231 8.817714  227.1620       171.4416 197.7204       
260.4710 249.6663       227.7252 31.27396 12.68597 32.49067 12.25049 -1.216711 
17.63543 
1 1 1 27  14  12 o 50.51030 8.436840  664.4335       177.8791 832.6104       
260.8102 518.1681       243.2273 57.20154 11.26136 43.81907 12.56594 13.38248 
16.87368 
1 1 1 27  14  13 o 31.76277 8.784063  230.6869       170.0977 178.5112       
271.0505 264.5840       218.4728 30.74752 12.76738 32.77803 12.06786 -2.030508 
17.56813 
1 1 1 27  14  14 o 23.28056 7.388033  -50.46936      159.5798 -287.6471      
261.2112 90.76355       201.5685 20.66829 9.981696 25.89284 10.89485 -5.224552 
14.77607 
1 1 1 27  14  15 o 39.85551 8.263731  434.3828       145.3455 374.3792       
260.2690 461.5759       175.2116 36.88911 13.21147 42.82191 9.930459 -5.932808 
16.52746 
1 1 1 27  14  16 o 46.55538 8.444177  624.9322       174.9879 396.3506       
275.5215 779.4726       226.5457 37.38177 13.57262 55.72899 10.04990 -18.34722 
16.88835 
1 1 1 27  14  17 o 27.35135 8.501023  77.40264       188.5402 43.23980       
257.9362 116.5975       276.2802 26.19187 11.63968 28.51083 12.39304 -2.318960 
17.00205 
1 1 1 27  14  18 o 34.68470 7.992870  161.7431       168.6388 -178.9333      
214.7522 709.7520       272.3708 19.68691 9.394909 49.68248 12.93366 -29.99556 
15.98574 
1 1 1 27  14  19 o 25.38723 8.041910  -1.857868      184.0210 -177.2344      
261.6285 169.8577       258.8833 21.76924 10.38412 29.00522 12.28248 -7.235989 
16.08382 
1 1 1 27  14  20 o 31.09124 8.975413  249.9511       185.5508 242.0963       
264.9186 257.5151       259.9685 30.88564 12.70372 31.29684 12.68257 
-0.4111996     17.95083 
1 1 1 27  14  21 o 27.03537 8.520799  98.76948       196.2319 77.98456       
278.5141 119.2585       276.5243 26.58883 11.94704 27.48191 12.15254 
-0.8930779     17.04160 
1 1 1 27  14  22 o 35.25417 9.306026  396.5326       183.6132 363.6169       
243.8382 439.6396       279.0448 34.16885 12.71779 36.33949 13.58920 -2.170635 
18.61205 
1 1 1 27  14  23 o 24.22120 8.009214  -27.19050      203.0000 22.91525       
299.4044 -69.82191      276.1717 25.33164 11.75338 23.11076 10.88338 2.220882 
16.01843 
1 1 1 27  14  24 o 22.23857 7.538362  -134.8439      202.3364 -26.60958      
298.9669 -226.3180      274.8462 23.99162 11.30563 20.48553 9.974481 3.506090 
15.07672 
1 1 1 27  14  25 o 26.44303 8.382851  149.8973       199.8853 310.1110       
279.6895 -17.35760      285.7694 29.74002 12.68623 23.14604 10.96122 6.593985 
16.76570 
1 1 1 27  14  26 o 33.60312 9.335609  476.9229       200.3851 658.1965       
290.7757 312.9702       276.5350 38.63688 13.95164 28.56936 12.40831 10.06752 
18.67122 
1 1 1 27  14  27 o 19.08189 9.478651  -285.1485      292.2928 -285.1485      
292.2928 0.000000       0.000000 19.08189 9.478651 ?        ?        ? ? 
1 1 1 27  15  0  o 20.92294 7.020898  -163.4480      159.6897 -120.3019      
258.4832 -190.0804      203.0799 22.87156 10.71594 18.97433 9.074171 3.897234 
14.04180 
1 1 1 27  15  1  o 39.84236 9.341907  435.9454       173.8417 519.9292       
307.9577 396.6667       210.6065 41.49237 14.41851 38.19234 11.88239 3.300030 
18.68381 
1 1 1 27  15  2  o 32.21032 8.578844  178.9619       165.5068 480.4190       
273.3005 4.383771       207.9805 40.88430 13.60308 23.53634 10.45670 17.34796 
17.15769 
1 1 1 27  15  3  o 50.90868 8.394102  668.5369       169.8276 753.4845       
288.6766 623.5766       210.0151 52.11552 13.17840 49.70183 10.40065 2.413689 
16.78820 
1 1 1 27  15  4  o 28.68110 8.196176  36.95726       157.9147 390.4578       
274.7710 -137.3880      192.9661 37.76251 13.56954 19.59970 9.196568 18.16281 
16.39235 
1 1 1 27  15  5  o 36.90229 8.908614  358.8449       161.0433 351.9040       
282.0076 362.2038       196.1770 36.50255 13.65898 37.30202 11.44054 
-0.7994690     17.81723 
1 1 1 27  15  6  o 21.86729 7.103791  -81.97695      149.2536 -101.6069      
224.7859 -66.49880      199.6038 22.13490 10.23706 21.59969 9.851805 0.5352077 
14.20758 
1 1 1 27  15  7  o 49.99095 9.448274  683.9645       202.5605 608.2390       
277.4549 770.3912       296.4114 46.88832 13.41287 53.09359 13.31069 -6.205265 
18.89655 
1 1 1 27  15  8  o 38.08290 8.317203  364.1131       181.9796 643.1650       
239.0891 -20.18563      280.5768 49.85429 11.62574 26.31151 11.89730 23.54278 
16.63441 
1 1 1 27  15  9  o 28.43139 8.476304  96.93768       181.5519 222.7072       
240.9029 -68.39882      276.2096 31.68567 12.43352 25.17711 11.52382 6.508560 
16.95261 
1 1 1 27  15  10 o 32.03550 11.73860  246.1529       206.5026 0.000000       
0.000000 246.1529       206.5026 ?        ?        32.03550 11.73860 ? ? 
1 1 1 27  15  11 o 26.25980 7.959616  71.59713       155.8924 89.73615       
236.0091 57.55724       207.6366 27.26934 11.64360 25.25025 10.85581 2.019087 
15.91923 
1 1 1 27  15  12 o 52.52885 8.577490  703.7955       184.2991 926.0585       
290.4996 554.0764       238.4243 59.54185 12.04201 45.51584 12.21815 14.02601 
17.15498 
1 1 1 27  15  13 o 31.09089 8.571630  219.4769       160.7159 196.2094       
252.9007 235.2388       208.1518 30.78065 12.49455 31.40112 11.73787 
-0.6204720     17.14326 
1 1 1 27  15  14 o 32.65110 8.666251  265.0552       162.3669 211.5563       
252.6084 302.7180       211.9487 31.15188 12.55196 34.15033 11.95257 -2.998446 
17.33250 
1 1 1 27  15  15 o 26.21961 7.990051  59.68410       157.7352 166.3360       
249.5107 -11.31323      203.5757 29.53324 12.25553 22.90599 10.25503 6.627254 
15.98010 
1 1 1 27  15  16 o 24.06607 7.524950  13.82490       153.4968 -123.4265      
248.8277 98.14000       195.0262 22.49071 10.53327 25.64144 10.74940 -3.150732 
15.04990 
1 1 1 27  15  17 o 33.77717 8.939241  269.6265       186.0141 60.30840       
258.4001 494.7679       267.9890 26.59484 11.75554 40.95950 13.47024 -14.36466 
17.87848 
1 1 1 27  15  18 o 40.06995 8.982619  424.6553       171.2933 270.9298       
216.4908 682.0042       280.1093 32.08995 11.97557 48.04996 13.39162 -15.96001 
17.96524 
1 1 1 27  15  19 o 24.55338 7.975385  -33.34064      188.8132 37.46283       
268.8918 -102.2086      265.1910 25.98057 11.70262 23.12619 10.83862 2.854378 
15.95077 
1 1 1 27  15  20 o 34.57013 9.336099  354.2516       188.9194 402.4184       
271.3240 308.9242       263.2055 36.17591 13.42527 32.96435 12.97741 3.211567 
18.67220 
1 1 1 27  15  21 o 25.72611 8.215177  27.04121       191.7650 168.2930       
280.6613 -96.64325      262.6292 28.72409 12.48841 22.72813 10.67690 5.995956 
16.43035 
1 1 1 27  15  22 o 29.70133 8.768267  225.2776       178.0275 273.0093       
288.9681 196.0780       226.0141 31.09931 13.06322 28.30335 11.69967 2.795961 
17.53653 
1 1 1 27  15  23 o 22.77400 7.609785  -198.6447      200.9208 151.9781       
290.8975 -518.5013      277.8418 27.70079 12.33384 17.84721 8.916940 9.853580 
15.21957 
1 1 1 27  15  24 o 24.89013 8.066238  21.12520       197.5671 218.2911       
279.5539 -175.6129      279.2505 28.48690 12.42474 21.29336 10.28993 7.193548 
16.13248 
1 1 1 27  15  25 o 22.16349 7.435022  -100.1135      193.5325 -332.4904      
278.4494 117.0474       269.1786 19.03370 9.413932 25.29329 11.51070 -6.259590 
14.87004 
1 1 1 27  15  26 o 20.31882 7.010752  -158.2752      194.2331 -169.0031      
293.8944 -149.9555      258.8122 20.69480 10.12251 19.94283 9.702443 0.7519608 
14.02150 
1 1 1 27  15  27 o 22.78185 7.613480  6.962043       188.5383 255.4870       
292.5085 -169.6716      246.5984 26.58408 12.07164 18.97963 9.280938 7.604446 
15.22696 
1 1 1 27  16  0  o 21.71664 7.210779  -151.1710      171.9322 -321.6873      
256.6230 -12.29150      231.5963 19.65898 9.583830 23.77429 10.77643 -4.115314 
14.42156 
1 1 1 27  16  1  o 54.45861 9.255578  876.8332       217.1030 662.4221       
342.4949 1020.857       280.7031 45.39032 15.22804 63.52689 10.52472 -18.13657 
18.51116 
1 1 1 27  16  2  o 41.32787 9.132396  435.0072       171.3742 697.8049       
297.3979 304.3604       209.6893 48.75192 13.86767 33.90382 11.88656 14.84811 
18.26479 
1 1 1 27  16  3  o 29.12828 8.551917  146.1012       169.9163 239.4998       
267.0411 82.56206       220.2564 32.10109 12.91750 26.15547 11.21068 5.945623 
17.10383 
1 1 1 27  16  4  f 52.82310 8.179146  778.1912       173.1019 564.3136       
295.3967 890.0455       213.6236 43.89893 14.13111 61.74728 8.240481 -17.84835 
16.35829 
1 1 1 27  16  5  o 34.41695 8.991013  278.4132       162.8623 415.0960       
288.5300 214.5021       197.2979 38.49377 13.89789 30.34013 11.41060 8.153643 
17.98203 
1 1 1 27  16  6  o 45.25394 8.484394  545.9817       164.1145 510.2807       
231.4438 582.0861       232.7474 43.57891 12.18176 46.92896 11.81290 -3.350048 
16.96879 
1 1 1 27  16  7  o 28.61217 8.285846  106.8707       164.5662 -33.95158      
219.6567 287.0447       248.4591 23.30192 10.53212 33.92243 12.79435 -10.62050 
16.57169 
1 1 1 27  16  8  o 31.47376 8.557179  209.0525       172.9659 353.5680       
228.7515 16.12576       264.3036 36.57869 12.44511 26.36882 11.74821 10.20987 
17.11436 
1 1 1 27  16  9  o 39.80818 9.738351  428.9720       193.5248 378.8796       
244.4051 513.1677       316.8618 37.57154 12.86388 42.04482 14.62404 -4.473278 
19.47670 
1 1 1 27  16  10 o 29.39917 8.060716  146.5842       165.5051 -156.9409      
268.9783 331.5179       209.9558 23.12259 10.85107 35.67576 11.92287 -12.55317 
16.12143 
1 1 1 27  16  11 o 22.22280 7.139457  -86.72361      152.8184 -266.3611      
229.4671 56.44776       204.8566 19.42160 9.373770 25.02399 10.77125 -5.602392 
14.27891 
1 1 1 27  16  12 o 20.23326 9.663345  -209.7923      228.3616 -209.7923      
228.3616 0.000000       0.000000 20.23326 9.663345 ?        ?        ? ? 
1 1 1 27  16  13 o 32.49677 8.261668  263.9399       144.3391 232.9449       
205.0113 294.4055       203.2528 31.18095 11.65029 33.81260 11.71714 -2.631643 
16.52334 
1 1 1 27  16  14 o 29.89958 8.225645  187.2786       160.1458 10.96372       
251.8531 306.9583       207.4976 25.53363 11.41955 34.26554 11.84225 -8.731915 
16.45129 
1 1 1 27  16  15 o 35.23003 8.536677  335.7331       160.8947 196.4351       
250.7396 433.2372       209.7790 30.39684 12.40669 40.06322 11.72918 -9.666380 
17.07335 
1 1 1 27  16  16 o 28.14766 8.464217  94.75761       182.8959 260.1606       
260.4851 -66.07452      256.8607 32.41638 12.86303 23.87893 11.00520 8.537453 
16.92843 
1 1 1 27  16  17 f 40.46608 9.183076  461.9594       187.0980 672.8253       
273.3723 276.1526       256.6151 48.25354 13.14168 32.67861 12.83011 15.57493 
18.36615 
1 1 1 27  16  18 o 38.39311 9.007030  410.0833       167.7327 320.6734       
215.5841 547.2247       266.9980 34.08100 12.04211 42.70523 13.39754 -8.624226 
18.01406 
1 1 1 27  16  19 o 27.37675 8.441114  111.5504       182.4136 119.0101       
254.4849 103.6674       261.6061 27.47482 11.91768 27.27868 11.95737 0.1961384 
16.88223 
1 1 1 27  16  20 o 25.35294 8.162805  -33.81678      195.8374 182.4531       
289.1511 -217.0949      266.1841 29.52496 12.75371 21.18093 10.19159 8.344036 
16.32561 
1 1 1 27  16  21 o 24.82145 7.864052  36.74197       174.0226 129.1952       
230.0652 -86.89228      266.0477 26.64049 11.43939 23.00241 10.79415 3.638077 
15.72810 
1 1 1 27  16  22 o 23.40402 7.803740  -80.38547      198.7845 -119.8517      
282.1006 -41.46117      280.1571 22.80252 10.84202 24.00553 11.22693 -1.203016 
15.60748 
1 1 1 27  16  23 o 28.32717 8.781920  184.8074       199.5411 185.3229       
287.6122 184.3289       277.0705 28.41000 12.49486 28.24434 12.34370 0.1656628 
17.56384 
1 1 1 27  16  24 o 33.46568 9.125207  361.5054       194.6775 583.7694       
281.5834 157.9859       269.4483 39.98373 13.79754 26.94762 11.94594 13.03611 
18.25041 
1 1 1 27  16  25 o 25.90471 8.259443  144.8796       189.5019 148.6762       
288.2241 141.9887       251.5052 26.22284 11.92763 25.58657 11.42826 0.6362686 
16.51889 
1 1 1 27  16  26 o 23.24684 7.698309  20.75938       187.1865 222.6873       
285.7807 -130.9676      247.7229 26.64056 12.02866 19.85312 9.610779 6.787443 
15.39662 
1 1 1 27  16  27 o 21.35427 7.253139  -34.77797      185.4534 23.95859       
283.3613 -78.78879      245.2822 22.53915 10.76455 20.16938 9.724014 2.369772 
14.50628 
1 1 1 27  17  0  o 25.37086 7.872239  24.60294       172.1547 -180.5944      
256.2263 193.4643       232.4358 21.49984 10.26055 29.24188 11.94193 -7.742041 
15.74448 
1 1 1 27  17  1  o 34.12515 9.342305  323.6021       190.6302 274.7957       
315.7990 351.5819       239.1086 32.97240 13.74171 35.27791 12.66018 -2.305508 
18.68461 
1 1 1 27  17  2  o 26.88402 8.179239  93.06228       161.4406 161.6606       
266.1955 53.15144       203.0435 29.36720 12.44619 24.40084 10.61565 4.966356 
16.35848 
1 1 1 27  17  3  o 35.76707 8.870193  341.7470       158.7948 392.6665       
273.3755 315.8178       195.0800 37.08820 13.51438 34.44595 11.49273 2.642254 
17.74039 
1 1 1 27  17  4  o 22.56197 7.415485  -98.42053      157.4140 -12.82017      
276.1949 -139.6035      191.5739 25.79382 11.71742 19.33013 9.091744 6.463688 
14.83097 
1 1 1 27  17  5  o 31.06698 8.281263  230.8096       146.1023 254.6344       
222.0494 212.6208       194.0161 32.09061 12.09768 30.04335 11.31209 2.047260 
16.56253 
1 1 1 27  17  6  o 45.93320 8.027299  562.2693       156.0297 449.9871       
227.6703 661.7125       214.2586 40.61436 12.29841 51.25205 10.31985 -10.63769 
16.05460 
1 1 1 27  17  7  o 40.57681 8.758156  448.3332       162.8181 471.7472       
232.3766 425.7533       228.1992 41.60234 12.39031 39.55128 12.38150 2.051052 
17.51631 
1 1 1 27  17  8  o 29.98484 8.285881  176.4734       158.5370 47.22033       
222.0611 310.8418       226.4127 25.39070 11.07398 34.57899 12.32843 -9.188292 
16.57176 
1 1 1 27  17  9  o 24.80606 7.813368  -18.84175      166.7563 -129.6530      
226.1510 113.1997       246.8663 21.51034 10.06836 28.10178 11.95086 -6.591433 
15.62674 
1 1 1 27  17  10 o 23.34027 7.381513  -17.58702      150.5135 -100.3472      
226.4107 47.95087       201.4803 22.11293 10.24490 24.56761 10.62963 -2.454674 
14.76303 
1 1 1 27  17  11 o 40.65185 8.530965  442.2590       157.6567 527.6757       
228.5123 364.6671       217.7942 44.36318 11.98530 36.94053 12.14339 7.422653 
17.06193 
1 1 1 27  17  12 o 23.55697 7.327917  16.69507       140.9906 -18.45172      
200.3302 51.19026       198.4645 22.63333 10.15194 24.48061 10.57032 -1.847281 
14.65583 
1 1 1 27  17  13 f 33.83063 11.76392  297.5665       205.0292 0.000000       
0.000000 297.5665       205.0292 ?        ?        33.83063 11.76392 ? ? 
1 1 1 27  17  14 o 21.01463 9.747417  -96.37547      205.7256 -96.37547      
205.7256 0.000000       0.000000 21.01463 9.747417 ?        ?        ? ? 
1 1 1 27  17  15 o 20.99463 6.958158  -133.6435      156.3619 -273.9296      
252.2903 -46.15009      199.2420 20.24286 9.781995 21.74640 9.898303 -1.503544 
13.91632 
1 1 1 27  17  16 o 58.65699 8.386540  922.2177       199.2767 832.1070       
276.3535 1019.828       287.6237 55.14082 12.25885 62.17316 11.44800 -7.032349 
16.77308 
1 1 1 27  17  17 o 32.35266 8.562533  205.5926       182.1668 506.9699       
260.7855 -81.59532      254.5724 41.40306 13.27243 23.30225 10.82176 18.10081 
17.12507 
1 1 1 27  17  18 o 22.28389 7.429886  -132.8062      180.5173 -165.1155      
257.0115 -101.3484      253.6026 21.81754 10.36182 22.75025 10.65108 
-0.9327068     14.85977 
1 1 1 27  17  19 o 27.28210 8.494637  100.4008       188.6710 116.0536       
272.3900 85.96564       261.5802 27.78288 12.18969 26.78132 11.83414 1.001558 
16.98927 
1 1 1 27  17  20 o 34.20393 9.381972  348.7337       195.3253 272.3773       
282.4009 418.7643       270.4500 31.78215 13.10170 36.62572 13.43246 -4.843565 
18.76394 
1 1 1 27  17  21 o 28.30002 8.515215  162.1616       175.0502 91.49107       
228.4171 262.7352       272.4905 25.53074 11.18229 31.06931 12.84492 -5.538578 
17.03043 
1 1 1 27  17  22 o 24.67390 7.988801  -47.39571      200.0053 -334.4932      
294.5239 198.3030       272.4629 20.45861 10.04086 28.88918 12.42839 -8.430571 
15.97760 
1 1 1 27  17  23 o 24.22646 7.916881  -1.667376      191.1866 93.65613       
269.2391 -98.62189      271.5327 25.96973 11.70327 22.48318 10.66496 3.486542 
15.83376 
1 1 1 27  17  24 o 21.80427 7.348138  -107.2877      185.7464 -56.83410      
278.0092 -147.9710      249.6443 22.96725 10.84611 20.64129 9.916774 2.325956 
14.69628 
1 1 1 27  17  25 o 24.60725 7.913332  88.07100       183.4379 -36.18646      
279.2015 182.4461       243.3241 22.76026 10.80497 26.45424 11.56443 -3.693989 
15.82666 
1 1 1 27  17  26 o 27.93970 8.594717  252.2961       187.5971 434.0029       
291.5746 123.9469       245.0533 31.66686 13.20129 24.21255 11.00920 7.454315 
17.18943 
1 1 1 27  17  27 o 24.21794 7.728756  65.76067       186.1965 -273.6261      
270.3184 372.1505       256.8415 18.57253 9.207514 29.86335 12.41597 -11.29082 
15.45751 
1 1 1 27  18  0  o 48.01836 8.648007  615.8997       171.8403 904.8159       
288.5949 457.1988       213.8910 56.12193 12.56372 39.91478 11.88718 16.20715 
17.29601 
1 1 1 27  18  1  o 25.66714 7.701724  55.31380       166.3133 -335.5220      
296.4498 234.8244       200.9088 21.05175 10.26961 30.28253 11.48047 -9.230782 
15.40345 
1 1 1 27  18  2  o 34.66235 9.209111  341.8387       181.3239 298.0111       
304.2280 365.9854       225.8152 33.40342 13.65531 35.92128 12.35975 -2.517860 
18.41822 
1 1 1 27  18  3  o 28.43067 8.131355  137.8945       150.3143 302.8331       
242.4258 34.87857       191.5887 33.50572 12.63780 23.35563 10.23532 10.15009 
16.26271 
1 1 1 27  18  4  o 35.53194 8.613689  346.4117       155.7431 380.2797       
218.1948 311.2342       222.3727 37.05696 12.15455 34.00692 12.20858 3.050045 
17.22738 
1 1 1 27  18  5  o 52.34575 7.561636  704.1592       159.8641 732.4830       
239.0869 681.2566       214.9919 52.91409 11.11536 51.77740 10.25486 1.136696 
15.12327 
1 1 1 27  18  6  o 43.26826 8.491762  510.9049       163.9403 643.2614       
234.5629 384.5068       229.2224 49.19657 11.54298 37.33995 12.45792 11.85662 
16.98352 
1 1 1 27  18  7  f 32.11379 8.683099  221.9188       168.6797 87.29514       
222.7930 402.7372       258.2034 26.36476 11.28688 37.86282 13.19815 -11.49806 
17.36620 
1 1 1 27  18  8  o 25.27116 7.945258  20.25043       167.1607 47.91520       
259.9613 0.7477947      218.2688 26.66121 11.78715 23.88111 10.65700 2.780098 
15.89052 
1 1 1 27  18  9  o 34.80196 8.691612  315.2909       160.9930 401.9300       
232.0750 234.9197       223.5228 38.25547 12.53519 31.34845 12.04348 6.907022 
17.38322 
1 1 1 27  18  10 o 25.38132 7.695042  70.53504       146.4708 82.77441       
215.1637 59.96492       199.9536 26.01697 11.11345 24.74567 10.64640 1.271294 
15.39008 
1 1 1 27  18  11 o 30.03485 7.797326  104.0384       155.1888 450.3963       
233.1559 -171.4589      207.9421 40.37725 12.49032 19.69245 9.337288 20.68481 
15.59465 
1 1 1 27  18  12 o 26.60060 7.689536  107.7201       141.5632 4.386712       
199.6306 212.2422       200.7755 23.11669 10.26066 30.08451 11.45578 -6.967821 
15.37907 
1 1 1 27  18  13 o 27.37611 7.840422  141.0829       141.6919 90.03563       
203.8798 188.7720       197.0595 25.73427 10.89874 29.01795 11.27414 -3.283682 
15.68084 
1 1 1 27  18  14 f 42.79416 7.853116  502.8463       158.6296 232.6110       
231.1651 743.3511       218.0786 31.14209 12.18791 54.44623 9.906592 -23.30414 
15.70623 
1 1 1 27  18  15 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 27  18  16 o 30.57645 8.325108  199.0116       158.5136 371.8790       
235.9998 56.92273       213.9612 36.27188 12.62038 24.88101 10.86074 11.39087 
16.65022 
1 1 1 27  18  17 o 30.94878 8.753906  217.2875       179.9981 74.96011       
256.7704 354.8082       252.3974 26.65579 11.75867 35.24178 12.97140 -8.585989 
17.50781 
1 1 1 27  18  18 o 30.47340 8.857722  208.7256       184.5590 319.4154       
269.0787 110.3901       253.6184 33.67398 13.15545 27.27281 11.86470 6.401171 
17.71544 
1 1 1 27  18  19 o 27.81418 8.609311  123.4517       191.1850 123.0005       
274.5692 123.8763       266.3699 27.90114 12.23999 27.72722 12.11048 0.1739197 
17.21862 
1 1 1 27  18  20 o 23.68162 7.812575  -60.67720      190.0201 -54.63223      
277.7757 -65.99415      260.5121 24.08509 11.23106 23.27814 10.86317 0.8069515 
15.62515 
1 1 1 27  18  21 o 23.58792 7.674747  -36.71487      174.9747 -136.8829      
233.5503 91.44273       264.1728 20.79462 9.876746 26.38123 11.74976 -5.586603 
15.34949 
1 1 1 27  18  22 o 25.16667 8.118278  41.49355       190.6223 22.03130       
270.8083 60.60685       268.3694 24.81504 11.38001 25.51829 11.58107 
-0.7032490     16.23656 
1 1 1 27  18  23 o 32.73200 8.903730  338.9698       170.9276 306.3025       
223.8094 384.6914       264.7787 31.58524 12.07528 33.87876 13.08791 -2.293518 
17.80746 
1 1 1 27  18  24 o 22.98005 7.590405  -69.52522      183.9621 159.3113       
275.4680 -253.7354      247.1526 26.91711 11.99310 19.04299 9.307127 7.874123 
15.18081 
1 1 1 27  18  25 o 29.83620 8.612041  300.1146       170.7435 246.8222       
234.5835 360.1566       248.9960 28.10097 11.78527 31.57142 12.56090 -3.470451 
17.22408 
1 1 1 27  18  26 o 31.49369 8.986656  369.4492       189.8673 623.2313       
290.6439 180.5203       250.7725 37.51344 13.90034 25.47395 11.39388 12.03950 
17.97331 
1 1 1 27  18  27 f 34.17822 9.188588  514.4047       187.9953 420.1204       
276.1089 595.8892       256.6836 30.73883 12.83245 37.61761 13.15480 -6.878775 
18.37718 
1 1 1 27  19  0  o 29.01381 8.458179  203.7837       167.4251 116.1645       
292.4672 246.4935       204.1934 27.76741 12.36518 30.26021 11.54406 -2.492798 
16.91636 
1 1 1 27  19  1  o 41.51495 8.627288  527.9315       168.5183 377.3614       
272.0579 621.6672       214.6568 35.20134 13.35534 47.82856 10.92498 -12.62722 
17.25458 
1 1 1 27  19  2  o 30.40222 8.454584  200.1202       156.1599 378.8086       
258.2324 97.10178       196.0741 35.69086 13.12205 25.11358 10.66451 10.57728 
16.90917 
1 1 1 27  19  3  o 41.18842 8.532361  489.8036       158.5329 429.3159       
248.9812 531.0478       205.5959 38.07989 12.98375 44.29694 11.07371 -6.217056 
17.06472 
1 1 1 27  19  4  o 27.76127 7.869536  127.4520       151.3188 -39.32659      
212.6848 298.4114       215.3341 22.32531 10.17919 33.19724 12.00427 -10.87193 
15.73907 
1 1 1 27  19  5  o 31.03007 8.407281  201.0312       153.6814 395.9963       
252.8734 86.84760       193.5203 37.04750 13.04693 25.01264 10.60694 12.03487 
16.81456 
1 1 1 27  19  6  o 31.66896 8.338302  251.2331       147.8209 301.6958       
223.7519 212.1510       196.9115 33.59137 12.22778 29.74654 11.33978 3.844835 
16.67660 
1 1 1 27  19  7  o 28.22668 8.206395  154.8308       156.4552 167.2601       
222.4372 142.6609       220.1034 28.65368 11.68876 27.79968 11.52184 0.8540058 
16.41279 
1 1 1 27  19  8  o 27.43023 8.214056  94.32707       172.6645 -71.69185      
257.6652 229.6403       232.6200 23.81926 10.99470 31.04121 12.20653 -7.221947 
16.42811 
1 1 1 27  19  9  o 34.82296 8.979336  322.2825       168.2868 291.0175       
218.0107 368.3794       264.7183 33.33437 12.07620 36.31155 13.29208 -2.977180 
17.95867 
1 1 1 27  19  10 o 35.36087 8.036976  329.2139       144.5210 460.5574       
199.9995 185.6878       209.0693 41.62127 11.19836 29.10048 11.53121 12.52079 
16.07395 
1 1 1 27  19  11 o 23.13771 7.266589  7.949632       141.2892 22.04878       
196.4212 -7.167248      203.3870 23.37647 10.30183 22.89895 10.25112 0.4775238 
14.53318 
1 1 1 27  19  12 o 20.30360 6.677128  -122.6877      139.5515 -9.483920      
203.2307 -223.6860      191.9623 22.80855 10.22798 17.79865 8.586297 5.009901 
13.35426 
1 1 1 27  19  13 o 45.74857 8.287689  590.8566       162.8405 454.4019       
259.3885 679.6174       209.2027 39.59496 13.25233 51.90217 9.955850 -12.30722 
16.57538 
1 1 1 27  19  14 o 27.55078 7.900065  141.3191       149.1060 19.51735       
227.5628 232.9525       197.3793 24.48714 10.90573 30.61441 11.43281 -6.127262 
15.80013 
1 1 1 27  19  15 o 27.19872 7.975001  102.9691       156.0288 260.4546       
229.7258 -31.89289      212.5857 31.84333 12.21643 22.55410 10.25482 9.289228 
15.95000 
1 1 1 27  19  16 o 23.65656 7.526533  1.837517       156.8785 -3.643620      
224.4541 7.072358       219.3532 23.63270 10.66593 23.68041 10.62227 
-0.4770660E-01 15.05307 
1 1 1 27  19  17 o 32.40690 12.57780  282.3401       245.1354 282.3401       
245.1354 0.000000       0.000000 32.40690 12.57780 ?        ?        ? ? 
1 1 1 27  19  18 o 23.21971 7.475054  -28.17074      163.7413 -132.6538      
244.9264 56.26293       220.1763 21.69504 10.22620 24.74437 10.90553 -3.049330 
14.95011 
1 1 1 27  19  19 o 27.50250 8.478226  97.31808       188.0662 253.6320       
276.5959 -37.07990      256.4740 31.23535 12.92912 23.76965 10.97083 7.465698 
16.95645 
1 1 1 27  19  20 o 28.55547 8.639027  158.1724       192.2640 5.221045       
285.1738 285.6316       260.3266 25.31084 11.63691 31.80009 12.77159 -6.489241 
17.27805 
1 1 1 27  19  21 o 30.63834 8.468459  253.0219       172.0842 62.00059       
267.9651 387.0915       224.4928 25.71629 11.62757 35.56039 12.31499 -9.844109 
16.93692 
1 1 1 27  19  22 o 26.80048 8.392301  124.0974       187.2363 170.3090       
268.0440 80.06222       261.6557 27.92682 12.17350 25.67415 11.55547 2.252666 
16.78460 
1 1 1 27  19  23 o 28.74157 8.604823  197.3500       182.0652 365.0532       
274.3154 65.31136       243.4052 32.93651 13.15892 24.54663 11.09120 8.389879 
17.20965 
1 1 1 27  19  24 o 29.88195 8.489396  195.9375       162.1254 541.5677       
283.2697 27.56715       197.7093 37.83574 13.75971 21.92816 9.947353 15.90758 
16.97879 
1 1 1 27  19  25 o 20.82242 7.074434  -111.9695      182.1915 -194.0188      
276.3814 -48.91475      242.2872 20.31621 9.911719 21.32863 10.09694 -1.012413 
14.14887 
1 1 1 27  19  26 o 29.05692 8.386223  282.5871       183.9223 12.36931       
269.3160 518.7601       251.7795 22.43035 10.63112 35.68348 12.97282 -13.25312 
16.77245 
1 1 1 27  19  27 o 17.26942 6.048159  -258.4669      160.3004 -362.2549      
269.4460 -201.6082      199.4330 17.69159 8.830939 16.84725 8.266523 0.8443356 
12.09632 
1 1 1 27  20  0  f 29.68229 7.959698  190.1774       133.7162 83.06613       
162.7217 412.9134       234.6513 23.02074 9.742472 36.34385 12.59013 -13.32311 
15.91940 
1 1 1 27  20  1  o 32.45653 8.478277  274.9781       167.7227 483.6112       
240.0700 76.04607       234.4222 39.60005 12.73839 25.31300 11.19188 14.28705 
16.95655 
1 1 1 27  20  2  o 33.47168 8.421653  294.9063       154.8685 155.2579       
205.0916 480.1760       236.2283 27.04167 11.15938 39.90168 12.61607 -12.86000 
16.84331 
1 1 1 27  20  3  o 31.50269 7.766021  263.0002       140.6776 81.04995       
218.0975 392.6365       184.0933 25.26688 10.99744 37.73850 10.96816 -12.47162 
15.53204 
1 1 1 27  20  4  o 29.14629 8.331758  164.3467       161.2349 336.2834       
248.9237 40.06972       211.6300 34.23821 12.82860 24.05438 10.63483 10.18383 
16.66352 
1 1 1 27  20  5  o 34.13504 7.930119  276.7966       156.4202 12.32483       
218.7487 553.5233       223.7594 23.70338 10.62071 44.56670 11.77912 -20.86332 
15.86024 
1 1 1 27  20  6  o 27.93018 7.891468  5.035525       154.7513 435.2421       
261.5789 -226.6102      191.9448 38.24592 13.28869 17.61445 8.515382 20.63148 
15.78294 
1 1 1 27  20  7  o 26.86998 7.826447  82.68709       159.3045 -142.6026      
233.0362 280.3296       218.2694 21.22063 9.994477 32.51933 12.04672 -11.29869 
15.65289 
1 1 1 27  20  8  o 30.35734 8.508590  165.2240       179.2352 399.3022       
254.3860 -65.53749      252.5773 37.15597 13.08581 23.55872 10.87869 13.59726 
17.01718 
1 1 1 27  20  9  o 31.96645 8.783595  259.0033       167.5897 264.5356       
216.2042 250.6755       265.2648 31.99424 11.96213 31.93866 12.86521 
0.5558205E-01  17.56719 
1 1 1 27  20  10 o 42.35763 8.385523  500.7965       156.4762 551.2608       
209.2617 436.7944       235.6651 45.54902 11.04185 39.16624 12.62321 6.382782 
16.77105 
1 1 1 27  20  11 o 33.99256 7.353353  259.0776       144.4863 553.4010       
203.5995 -39.53411      205.0774 45.91497 10.74199 22.07016 10.04474 23.84481 
14.70671 
1 1 1 27  20  12 o 35.10182 8.179524  317.2674       145.8671 477.7756       
218.1717 187.5201       196.1549 41.52425 11.89893 28.67940 11.22649 12.84485 
16.35905 
1 1 1 27  20  13 o 27.88240 7.926519  138.9946       145.2407 274.8770       
220.2542 34.44575       193.1978 32.35788 12.07849 23.40692 10.26786 8.950966 
15.85304 
1 1 1 27  20  14 o 42.72661 8.419384  507.4280       156.2193 523.4769       
231.7587 494.0640       211.4855 43.03637 12.24206 42.41685 11.56184 0.6195183 
16.83877 
1 1 1 27  20  15 o 41.10878 8.381338  454.7942       166.0066 729.1038       
248.4949 233.7021       223.0918 51.61332 11.73070 30.60425 11.97405 21.00908 
16.76268 
1 1 1 27  20  16 o 44.64006 8.717957  574.1371       169.3298 536.9955       
251.6956 604.8465       228.8660 42.56482 12.93945 46.71530 11.68682 -4.150486 
17.43591 
1 1 1 27  20  17 o 21.21741 7.005180  -125.9024      159.6496 -291.4525      
235.8202 14.17386       216.9194 18.88827 9.204349 23.54655 10.56268 -4.658272 
14.01036 
1 1 1 27  20  18 o 23.42315 10.66619  -11.63203      231.9094 0.000000       
0.000000 -11.63203      231.9094 ?        ?        23.42315 10.66619 ? ? 
1 1 1 27  20  19 o 40.43274 13.49668  521.9169       269.0421 521.9169       
269.0421 0.000000       0.000000 40.43274 13.49668 ?        ?        ? ? 
1 1 1 27  20  20 o 19.01600 6.604751  -344.9933      180.7468 -253.0834      
265.9608 -423.8736      246.3888 20.43414 9.908113 17.59787 8.736147 2.836269 
13.20950 
1 1 1 27  20  21 o 28.30278 8.648495  171.8089       190.3006 88.92267       
267.2308 257.0884       271.0615 26.14819 11.72691 30.45738 12.71477 -4.309195 
17.29699 
1 1 1 27  20  22 o 23.80688 7.751738  -0.7429904     181.9647 -92.66769      
271.3246 74.39990       245.3110 22.60240 10.69283 25.01136 11.22591 -2.408962 
15.50348 
1 1 1 27  20  23 o 20.95756 7.084717  -138.6541      178.2391 -249.4530      
270.6521 -53.80103      236.8522 20.11817 9.813902 21.79696 10.22058 -1.678783 
14.16943 
1 1 1 27  20  24 o 26.09523 8.137605  142.5031       182.1636 -7.839980      
279.3640 253.7123       240.2697 23.44075 11.01171 28.74971 11.98435 -5.308954 
16.27521 
1 1 1 27  20  25 o 25.14296 7.888383  143.4268       160.3226 234.1756       
264.2957 90.59319       201.6625 27.31758 11.99624 22.96834 10.24679 4.349241 
15.77677 
1 1 1 27  20  26 o 27.11945 8.125423  121.6059       185.2424 566.6331       
276.0978 -242.7244      249.8143 35.85723 13.49578 18.38167 9.052844 17.47556 
16.25085 
1 1 1 27  20  27 o 28.91033 8.763727  339.8348       193.1913 471.3729       
280.7568 221.5407       266.2479 31.98694 13.10406 25.83372 11.64024 6.153225 
17.52745 
1 1 1 27  21  0  o 29.55500 7.541637  248.2844       132.7995 340.0274       
164.1224 74.31937       226.0020 34.60745 10.43438 24.50255 10.89169 10.10491 
15.08327 
1 1 1 27  21  1  o 23.53773 7.466851  32.10747       151.5540 94.52402       
232.6804 -13.88389      199.7322 25.42874 11.20854 21.64673 9.868337 3.782009 
14.93370 
1 1 1 27  21  2  f 25.66113 7.486665  31.71443       150.8603 -226.2651      
206.2683 328.4288       221.2122 18.05690 8.746210 33.26537 12.15337 -15.20847 
14.97333 
1 1 1 27  21  3  o 34.64400 8.307298  310.6605       157.4158 568.1049       
239.9765 116.2198       208.5550 43.54212 12.48010 25.74587 10.96776 17.79625 
16.61460 
1 1 1 27  21  4  o 19.90651 6.640038  -127.8517      145.3985 -188.9332      
207.4449 -68.86816      203.8513 18.87463 9.061162 20.93839 9.708541 -2.063763 
13.28008 
1 1 1 27  21  5  o 30.30440 8.248712  201.7775       167.0324 -26.73809      
243.6896 404.2736       229.3968 23.59380 10.80959 37.01499 12.46265 -13.42119 
16.49742 
1 1 1 27  21  6  o 33.25844 8.321310  289.6094       148.8289 431.9002       
224.7220 178.4364       198.6354 38.52600 12.31761 27.99088 11.19166 10.53513 
16.64262 
1 1 1 27  21  7  o 22.76402 7.460597  -76.54113      171.1568 3.201315       
238.9457 -160.5698      245.2833 24.21011 10.96147 21.31793 10.12364 2.892178 
14.92119 
1 1 1 27  21  8  o 38.39952 8.758207  425.9557       161.4906 463.1828       
225.5515 386.7992       231.3224 40.18243 12.25574 36.61661 12.51485 3.565815 
17.51641 
1 1 1 27  21  9  f 30.17765 8.694523  211.7406       169.6701 208.6288       
213.3873 217.0901       279.7797 29.54566 11.66795 30.80964 12.89332 -1.263983 
17.38905 
1 1 1 27  21  10 o 22.80464 7.307703  -38.26771      157.4498 78.14671       
197.4421 -241.6052      260.9427 24.74835 10.61111 20.86092 10.05059 3.887432 
14.61541 
1 1 1 27  21  11 o 26.56080 7.853051  124.7136       146.4968 137.6014       
211.6099 112.8517       203.0130 27.08722 11.26629 26.03438 10.94314 1.052835 
15.70610 
1 1 1 27  21  12 o 43.46741 8.437643  527.9064       164.3130 698.3374       
238.1964 373.1785       226.9579 50.75505 11.45027 36.17976 12.39623 14.57529 
16.87529 
1 1 1 27  21  13 o 25.63707 7.702329  88.20229       144.6364 170.9760       
219.6000 24.78420       192.2175 28.31860 11.59328 22.95555 10.14394 5.363056 
15.40466 
1 1 1 27  21  14 o 27.36060 8.008762  141.5996       150.2476 207.4195       
224.3301 88.05525       202.3327 29.58023 11.86584 25.14096 10.75932 4.439270 
16.01752 
1 1 1 27  21  15 o 42.74538 8.522459  543.2891       171.0545 345.3999       
258.7852 696.8330       227.9527 34.52761 13.04723 50.96314 10.96809 -16.43554 
17.04492 
1 1 1 27  21  16 o 23.06465 7.367643  -30.77182      158.9540 -194.9501      
237.2198 103.0110       214.1378 20.32067 9.739425 25.80863 11.05768 -5.487963 
14.73529 
1 1 1 27  21  17 o 35.13766 8.984758  366.1459       170.1562 376.2851       
251.3135 357.5635       231.2153 35.38369 12.95129 34.89162 12.45663 0.4920616 
17.96952 
1 1 1 27  21  18 o 25.14272 7.942843  44.73903       173.5352 125.7580       
244.5700 -37.41040      246.2704 26.99675 11.69636 23.28868 10.74943 3.708073 
15.88569 
1 1 1 27  21  19 o 31.26914 8.686147  252.4498       177.1286 89.14410       
248.7535 420.4171       252.2789 25.99518 11.50666 36.54310 13.01512 -10.54793 
17.37229 
1 1 1 27  21  20 o 25.06990 11.33979  50.54881       255.1146 0.000000       
0.000000 50.54881       255.1146 ?        ?        25.06990 11.33979 ? ? 
1 1 1 27  21  21 o 23.75683 7.740160  -0.4696983     178.9345 -44.64651      
258.2209 40.33862       248.1810 23.06882 10.78480 24.44484 11.10533 -1.376024 
15.48032 
1 1 1 27  21  22 o 23.53759 7.752821  -18.34093      187.8409 -109.0114      
289.6367 47.47993       246.7757 22.78706 10.88299 24.28811 11.04470 -1.501047 
15.50564 
1 1 1 27  21  23 o 25.85872 8.101929  124.6242       178.9245 14.38722       
269.3244 211.7166       239.3878 23.86488 11.10146 27.85255 11.80349 -3.987677 
16.20386 
1 1 1 27  21  24 o 22.05797 7.357089  -35.38445      176.9111 3.321924       
263.2131 -67.27757      238.9267 23.00771 10.78579 21.10823 10.00869 1.899477 
14.71418 
1 1 1 27  21  25 o 22.13274 7.365353  2.018769       177.8621 -75.87202      
263.0643 67.60853       241.3998 21.17496 10.17479 23.09051 10.65211 -1.915550 
14.73071 
1 1 1 27  21  26 o 19.76328 6.764737  -149.5899      179.3784 -370.5770      
268.6197 28.26480       240.9834 17.66421 8.817290 21.86234 10.26168 -4.198128 
13.52947 
1 1 1 27  22  0  o 28.25809 7.511774  218.0046       119.5412 284.2590       
188.2739 173.2542       154.7324 30.67794 11.21171 25.83824 10.00022 4.839703 
15.02355 
1 1 1 27  22  1  o 29.87438 8.369723  238.4185       164.0624 397.1867       
237.7321 94.04486       226.6993 34.85457 12.61220 24.89419 11.00643 9.960382 
16.73945 
1 1 1 27  22  2  o 28.28778 7.625113  176.0838       143.8415 -35.75190      
207.3571 372.5711       199.7039 21.38099 9.866905 35.19456 11.62814 -13.81357 
15.25023 
1 1 1 27  22  3  o 26.17591 7.891609  100.4298       156.0204 263.5292       
237.8255 -22.79785      206.7219 30.57999 12.23804 21.77184 9.966963 8.808159 
15.78322 
1 1 1 27  22  4  o 25.37016 7.838263  88.38515       156.6557 142.6560       
240.3723 48.31451       206.5449 27.11325 11.66906 23.62706 10.46835 3.486195 
15.67653 
1 1 1 27  22  5  o 23.96593 7.374920  36.39133       146.8260 176.4750       
205.8815 -108.5924      209.4513 27.64176 11.25559 20.29011 9.532552 7.351654 
14.74984 
1 1 1 27  22  6  o 21.22043 6.960628  -63.30694      145.0087 -58.26046      
232.1075 -66.53759      185.7117 22.36064 10.36477 20.08023 9.293707 2.280413 
13.92126 
1 1 1 27  22  7  o 24.11667 7.489752  -84.54131      161.5283 -357.7021      
216.1329 261.0672       243.1106 16.99704 8.379360 31.23631 12.41660 -14.23926 
14.97950 
1 1 1 27  22  8  o 21.75153 7.091279  -76.80247      154.1822 -195.8004      
220.1995 37.65263       215.9555 19.47094 9.344556 24.03212 10.66884 -4.561176 
14.18256 
1 1 1 27  22  9  o 45.60192 9.649040  605.6791       194.1201 476.4257       
242.3036 837.2994       324.3600 39.90748 12.79352 51.29636 14.44789 -11.38887 
19.29808 
1 1 1 27  22  10 o 42.01806 10.05133  561.1200       216.9173 405.8833       
297.1509 738.2147       317.3823 36.21365 13.89375 47.82248 14.52861 -11.60883 
20.10265 
1 1 1 27  22  11 o 22.77859 7.365844  -68.26797      155.2432 105.6285       
247.0911 -181.6801      199.5453 26.86809 11.70019 18.68908 8.951440 8.179012 
14.73169 
1 1 1 27  22  12 o 28.20491 7.999116  179.8497       143.5030 212.3463       
215.6521 154.0243       192.2463 29.47790 11.70169 26.93192 10.90934 2.545975 
15.99823 
1 1 1 27  22  13 o 21.43086 6.957755  -49.28109      142.4553 -39.74062      
215.8854 -56.63906      189.5906 22.23648 10.18210 20.62524 9.485058 1.611240 
13.91551 
1 1 1 27  22  14 o 23.42285 7.421911  -11.03876      160.4687 -243.2966      
265.4831 122.6642       201.4292 20.82106 10.05677 26.02464 10.91790 -5.203587 
14.84382 
1 1 1 27  22  15 o 23.24022 7.419073  -44.14207      158.4346 140.8077       
235.3360 -197.4541      214.2642 27.36439 11.65377 19.11604 9.184776 8.248358 
14.83815 
1 1 1 27  22  16 o 54.35886 7.996584  821.5906       178.0156 710.2741       
268.1332 909.3281       238.0477 48.70507 12.90410 60.01265 9.448050 -11.30758 
15.99317 
1 1 1 27  22  17 o 32.93338 8.590121  306.8156       165.9368 165.3815       
241.4368 433.4352       228.4423 27.96581 11.85282 37.90096 12.43670 -9.935141 
17.18024 
1 1 1 27  22  18 o 25.99767 8.127176  90.78568       174.8784 120.0727       
250.6094 62.98941       244.1481 26.78519 11.72246 25.21016 11.26001 1.575029 
16.25435 
1 1 1 27  22  19 o 22.12250 7.367867  -98.93552      177.7783 -170.2288      
254.5743 -31.07323      248.3732 21.05185 10.08975 23.19316 10.73959 -2.141315 
14.73573 
1 1 1 27  22  20 o 32.17804 8.712877  255.3678       186.0481 -10.34400      
254.8322 558.6541       272.2546 23.65065 10.92343 40.70542 13.57702 -17.05476 
17.42575 
1 1 1 27  22  21 f 34.38487 9.296471  390.9818       192.0440 512.9471       
275.3657 275.4817       267.9678 38.29865 13.60190 30.47109 12.67619 7.827560 
18.59294 
1 1 1 27  22  22 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 27  22  23 o 32.89850 8.915466  380.8114       177.0449 450.9510       
240.0900 297.2123       262.1160 35.78484 12.70165 30.01216 12.51440 5.772673 
17.83093 
1 1 1 27  22  24 o 21.37142 7.173774  -82.60278      176.5668 86.56010       
255.4784 -237.2895      244.3026 24.07796 11.04669 18.66488 9.155478 5.413080 
14.34755 
1 1 1 27  22  25 o 21.89377 7.320085  0.6245610      178.3941 -62.28213      
267.4600 51.03892       239.4349 21.28577 10.23567 22.50177 10.46736 -1.215996 
14.64017 
1 1 1 27  22  26 o 19.79569 6.818141  -135.9664      183.3639 -172.8497      
268.2801 -103.6316      251.1939 19.61510 9.612823 19.97628 9.671700 
-0.3611736     13.63628 
1 1 1 27  23  0  o 20.26986 6.359547  23.87716       109.5229 105.9012       
160.8645 -46.99807      149.5329 22.75545 9.661278 17.78427 8.272548 4.971176 
12.71909 
1 1 1 27  23  1  o 21.88820 7.073409  12.38954       145.9137 0.5800593      
199.6455 25.93113       213.7858 21.35948 9.785160 22.41691 10.21680 -1.057426 
14.14682 
1 1 1 27  23  2  o 30.23209 8.183784  269.3575       151.4928 367.7574       
209.7262 161.9991       219.0651 34.05246 11.89246 26.41171 11.24574 7.640745 
16.36757 
1 1 1 27  23  3  o 32.36594 7.987461  310.3394       152.8962 91.92577       
236.0392 468.2351       200.6917 25.13420 11.15654 39.59768 11.43371 -14.46348 
15.97492 
1 1 1 27  23  4  o 25.42414 7.699950  116.1396       141.8210 166.7103       
235.3978 87.32466       177.6896 27.31952 11.64561 23.52875 10.07654 3.790768 
15.39990 
1 1 1 27  23  5  o 21.64979 6.900604  6.228419       132.4572 -5.883027      
196.9059 16.23899       179.0153 21.74393 9.881903 21.55564 9.634382 0.1882935 
13.80121 
1 1 1 27  23  6  o 31.16907 8.312908  276.8536       153.3841 185.3271       
240.5229 339.5876       199.1289 28.27479 11.89931 34.06335 11.61139 -5.788561 
16.62582 
1 1 1 27  23  7  f 26.91390 8.164628  117.4168       169.8462 2.042491       
234.9499 243.7097       245.8161 23.56658 10.73267 30.26123 12.30668 -6.694649 
16.32926 
1 1 1 27  23  8  o 18.81019 6.463251  -261.8173      162.4112 -371.5765      
249.7156 -181.3524      213.8101 18.38258 9.053329 19.23780 9.226685 
-0.8552189     12.92650 
1 1 1 27  23  9  o 28.78343 8.969731  124.4295       217.4617 -47.22211      
305.2778 301.2584       309.8475 25.03259 11.71202 32.53427 13.58871 -7.501673 
17.93946 
1 1 1 27  23  10 o 26.74521 8.575202  47.62733       204.3800 153.1434       
324.2462 -21.93117      263.2635 29.27555 13.02870 24.21486 11.15300 5.060688 
17.15040 
1 1 1 27  23  11 o 28.11300 8.136702  180.9626       152.9469 190.0832       
215.3376 171.6773       217.2744 28.39554 11.52837 27.83045 11.48566 0.5650845 
16.27340 
1 1 1 27  23  12 o 26.76698 7.983941  129.7368       156.5862 49.58865       
222.5813 208.2709       220.3286 24.43207 10.84074 29.10190 11.72398 -4.669827 
15.96788 
1 1 1 27  23  13 o 26.89567 7.911074  149.3466       147.9123 105.8546       
229.4214 180.2841       193.4961 26.10657 11.31976 27.68477 11.05456 -1.578197 
15.82215 
1 1 1 27  23  14 o 28.51515 8.177252  190.1122       156.5364 104.1466       
231.7022 262.2955       212.3177 26.07608 11.34222 30.95422 11.78236 -4.878141 
16.35450 
1 1 1 27  23  15 o 23.63144 7.419523  11.93260       155.3095 -159.0697      
232.7038 149.2869       208.5564 20.47702 9.773802 26.78586 11.16558 -6.308842 
14.83905 
1 1 1 27  23  16 o 40.84802 7.910270  434.5220       164.9695 856.5536       
252.8583 121.7550       217.6783 55.64046 11.21793 26.05558 11.15561 29.58488 
15.82054 
1 1 1 27  23  17 o 28.03358 8.337523  155.9139       171.4437 303.0318       
250.1809 25.65648       235.4087 32.07055 12.64377 23.99661 10.87163 8.073935 
16.67505 
1 1 1 27  23  18 o 25.94318 8.013509  60.00527       177.5695 -156.9047      
254.0070 267.3305       248.3316 21.19207 10.13803 30.69429 12.41312 -9.502226 
16.02702 
1 1 1 27  23  19 o 28.74765 8.594029  206.5177       179.7743 254.9607       
250.0759 154.7088       258.6178 30.10726 12.35626 27.38804 11.94790 2.719225 
17.18806 
1 1 1 27  23  20 o 24.54023 7.895610  39.41216       180.1875 -43.37167      
255.7748 120.9759       253.8830 22.84648 10.69622 26.23397 11.61695 -3.387487 
15.79122 
1 1 1 27  23  21 o 45.80076 8.815816  676.1556       194.8201 1042.837       
285.5216 356.7134       266.4958 59.05845 11.93296 32.54307 12.97994 26.51538 
17.63163 
1 1 1 27  23  22 o 26.08878 7.769444  85.08446       174.6725 364.8681       
228.8735 -305.1900      270.3146 32.91913 12.30768 19.25843 9.485675 13.66071 
15.53889 
1 1 1 27  23  23 o 20.34322 6.916133  -119.6577      170.2945 -148.9037      
227.4632 -82.35931      256.8758 19.32740 9.329400 21.35903 10.21244 -2.031631 
13.83227 
1 1 1 27  23  24 o 23.26185 10.60682  85.89262       231.0028 85.89262       
231.0028 0.000000       0.000000 23.26185 10.60682 ?        ?        ? ? 
1 1 1 27  23  25 o 21.71410 7.207930  2.643169       169.0416 -119.2158      
233.7606 136.2168       244.7388 19.33058 9.354033 24.09761 10.96900 -4.767027 
14.41586 
1 1 1 27  23  26 o 23.40656 7.794055  35.71199       199.3101 291.8415       
296.4628 -175.5302      269.2345 27.24415 12.27898 19.56898 9.602911 7.675179 
15.58811 
1 1 1 27  24  0  f 16.66791 5.638421  -112.1839      113.6684 -53.93250      
155.3537 -179.2982      166.7539 17.54492 8.235907 15.79091 7.703052 1.754005 
11.27684 
1 1 1 27  24  1  o 24.49151 7.582860  111.7613       151.5812 267.0911       
227.2126 -12.81635      203.4816 28.34418 11.72445 20.63885 9.619577 7.705330 
15.16572 
1 1 1 27  24  2  o 25.98333 7.739649  123.5954       168.8898 -209.5703      
269.0065 340.3605       216.9837 20.14352 9.818662 31.82314 11.96673 -11.67962 
15.47930 
1 1 1 27  24  3  o 31.92811 8.891307  311.0808       158.7403 453.4111       
316.6010 263.2846       183.4678 34.18732 13.94542 29.66890 11.03389 4.518417 
17.78261 
1 1 1 27  24  4  o 31.83932 7.836209  284.0987       156.2329 -2.447893      
234.8047 511.7424       209.2844 22.76576 10.50355 40.91289 11.63186 -18.14713 
15.67242 
1 1 1 27  24  5  o 27.57264 7.539597  141.4911       144.0398 -87.08931      
200.5368 385.0997       207.0242 19.88560 9.338744 35.25968 11.83934 -15.37408 
15.07919 
1 1 1 27  24  6  o 34.86197 9.165704  363.6626       176.7912 569.4288       
290.5281 242.6640       222.7878 40.20073 14.00120 29.52322 11.83245 10.67751 
18.33141 
1 1 1 27  24  7  o 31.99771 8.707226  280.1973       195.9928 -66.92841      
309.9571 511.4521       252.9901 24.35753 11.48786 39.63789 13.08786 -15.28036 
17.41445 
1 1 1 27  24  8  o 26.58071 8.362508  -27.12778      192.1009 384.9625       
314.3619 -272.7206      242.6843 34.08450 13.89851 19.07691 9.303631 15.00760 
16.72502 
1 1 1 27  24  9  o 24.72860 7.976666  25.96276       183.9224 2.955971       
268.7943 46.21785       252.2082 24.53127 11.28659 24.92593 11.27482 
-0.3946686     15.95333 
1 1 1 27  24  10 o 25.59494 8.171115  16.73059       192.0101 211.6675       
279.3060 -157.9466      264.3938 29.51629 12.63686 21.67358 10.36235 7.842703 
16.34223 
1 1 1 27  24  11 o 33.38255 8.557312  335.8137       173.6647 102.9067       
287.4584 469.6800       217.9311 27.12912 12.16485 39.63597 12.03856 -12.50685 
17.11462 
1 1 1 27  24  12 o 24.79060 7.741302  72.16315       152.6793 93.79185       
256.1929 60.25056       190.1319 26.21828 11.63225 23.36292 10.21773 2.855356 
15.48260 
1 1 1 27  24  13 o 26.26768 7.731769  134.7645       148.0499 8.476469       
230.3098 223.7023       193.2744 23.46633 10.67070 29.06903 11.19183 -5.602697 
15.46354 
1 1 1 27  24  14 o 22.38459 7.238246  -42.73912      153.7369 98.01823       
228.5508 -159.0592      207.7660 25.56684 11.19192 19.20235 9.182033 6.364491 
14.47649 
1 1 1 27  24  15 o 21.28535 7.112906  -149.3640      171.1080 27.84031       
240.2057 -331.9127      243.8010 24.13927 10.95557 18.43143 9.074648 5.707836 
14.22581 
1 1 1 27  24  16 o 20.84401 6.940453  -105.9325      159.0591 -210.4976      
244.6124 -29.33068      209.3652 19.98316 9.652280 21.70486 9.975621 -1.721706 
13.88091 
1 1 1 27  24  17 o 33.73903 8.575815  314.5003       174.1147 574.6890       
252.6729 79.23576       240.2662 42.31711 12.98484 25.16094 11.20590 17.15617 
17.15163 
1 1 1 27  24  18 o 24.18327 7.903451  5.288309       188.0343 -29.09564      
292.2291 29.58263       245.6394 24.29247 11.38388 24.07408 10.96656 0.2183914 
15.80690 
1 1 1 27  24  19 o 28.01828 8.476765  193.6376       177.4227 236.1253       
257.6277 155.3075       244.6983 29.19896 12.30297 26.83761 11.66443 2.361357 
16.95353 
1 1 1 27  24  20 o 38.71691 9.218187  490.4525       180.9016 334.2763       
235.7846 713.9400       282.0555 32.08297 12.35959 45.35085 13.67993 -13.26788 
18.43637 
1 1 1 27  24  21 o 25.42443 7.969824  108.2938       169.2947 12.83558       
224.8461 233.2489       257.2502 22.46370 10.33004 28.38517 12.13930 -5.921478 
15.93965 
1 1 1 27  24  22 f 27.81904 8.395548  233.0576       172.6516 229.0464       
230.5018 238.1842       260.5897 27.65750 11.64459 27.98058 12.09729 
-0.3230801     16.79110 
1 1 1 27  24  23 o 22.58753 7.456299  18.24117       172.5232 -56.33670      
227.0564 120.1097       265.3682 20.50274 9.738281 24.67231 11.29387 -4.169571 
14.91260 
1 1 1 27  24  24 o 23.22846 7.600126  77.98391       174.2434 17.70469       
231.7002 156.4484       264.3499 21.59406 10.12245 24.86287 11.33947 -3.268810 
15.20025 
1 1 1 27  24  25 o 16.79705 8.379835  -353.1237      241.0122 0.000000       
0.000000 -353.1237      241.0122 ?        ?        16.79705 8.379835 ? ? 
1 1 1 27  25  0  o 24.04001 7.157619  152.4149       124.1246 248.0126       
187.0993 77.26565       165.8864 26.98533 10.83171 21.09469 9.359494 5.890633 
14.31524 
1 1 1 27  25  1  o 28.71850 8.382296  317.7124       168.5393 228.6749       
326.7346 349.9927       196.7328 26.34371 12.24415 31.09329 11.45130 -4.749580 
16.76459 
1 1 1 27  25  2  o 27.37045 8.376082  250.9610       173.9508 260.0145       
294.4264 246.1061       215.6034 27.44037 12.30773 27.30053 11.36463 0.1398373 
16.75216 
1 1 1 27  25  3  o 22.48390 7.283808  54.10848       149.6653 -64.22003      
292.8632 95.93518       174.1193 22.39677 10.75549 22.57102 9.825216 
-0.1742439     14.56762 
1 1 1 27  25  4  o 22.69400 7.221831  61.08392       134.6966 77.48171       
249.3307 54.32586       160.0642 24.22658 11.03941 21.16143 9.314007 3.065149 
14.44366 
1 1 1 27  25  5  o 38.18524 8.177486  459.9921       143.3736 499.5199       
198.6677 417.0302       207.1179 40.43798 11.28059 35.93250 11.84202 4.505478 
16.35497 
1 1 1 27  25  6  o 29.57623 8.786864  255.0464       176.4053 279.7340       
321.8690 244.4470       210.9013 30.17473 13.24480 28.97774 11.55037 1.196999 
17.57373 
1 1 1 27  25  7  o 29.45683 8.856565  247.3866       193.1109 185.1547       
311.8199 286.1044       245.9533 28.34269 12.69039 30.57098 12.35754 -2.228287 
17.71313 
1 1 1 27  25  8  o 22.19536 7.496769  -118.3676      191.2648 -142.2295      
312.6888 -104.1024      241.7687 23.09445 11.09613 21.29628 10.08376 1.798172 
14.99354 
1 1 1 27  25  9  o 28.41639 8.779033  185.9408       202.1236 88.19386       
317.2931 252.6958       262.2110 26.90523 12.32997 29.92756 12.50030 -3.022333 
17.55807 
1 1 1 27  25  10 o 22.17319 7.411868  -125.1492      187.9745 -296.6574      
276.3997 22.43467       256.3980 20.06109 9.813491 24.28528 11.11029 -4.224188 
14.82374 
1 1 1 27  25  11 o 23.43716 7.629647  -38.24020      167.0487 150.4924       
272.6348 -151.6856      211.3738 27.52389 12.13231 19.35043 9.254894 8.173456 
15.25929 
1 1 1 27  25  12 o 26.24798 7.512094  131.8243       145.7237 -90.46097      
228.8887 283.3367       188.9702 21.17888 9.954451 31.31708 11.25323 -10.13820 
15.02419 
1 1 1 27  25  13 o 21.01976 6.911063  -78.76442      145.1975 53.03819       
226.6178 -170.5517      189.1138 24.10778 10.80578 17.93174 8.618950 6.176041 
13.82213 
1 1 1 27  25  14 o 18.61256 6.382361  -217.1065      153.8082 -259.0541      
237.4667 -186.7904      201.8767 18.92910 9.226424 18.29603 8.821068 0.6330624 
12.76472 
1 1 1 27  25  15 o 25.52775 7.887184  111.7691       159.7991 102.9600       
237.2628 119.0826       216.1852 25.56692 11.28754 25.48858 11.01917 
0.7833862E-01  15.77437 
1 1 1 27  25  16 o 27.34634 8.172191  163.3608       161.1645 270.3705       
246.5021 83.46648       212.9938 30.34113 12.32898 24.35156 10.73010 5.989563 
16.34438 
1 1 1 27  25  17 o 23.56863 7.645802  16.74976       172.1425 -22.96367      
248.5108 53.38307       238.6793 22.93214 10.66615 24.20512 10.95749 -1.272976 
15.29160 
1 1 1 27  25  18 o 28.69665 8.540841  221.4763       176.3061 301.7231       
256.6805 149.8008       242.5852 30.91364 12.57446 26.47966 11.56144 4.433977 
17.08168 
1 1 1 27  25  19 o 23.56791 7.726233  9.606821       183.4765 -29.30517      
258.7825 48.93817       260.1732 22.80751 10.69242 24.32830 11.15576 -1.520784 
15.45247 
1 1 1 27  25  20 o 29.90255 12.47795  292.2348       260.8906 0.000000       
0.000000 292.2348       260.8906 ?        ?        29.90255 12.47795 ? ? 
1 1 1 27  25  21 o 24.68591 7.824981  117.0674       168.5786 151.0585       
221.6016 70.37573       259.7231 25.28164 11.04413 24.09019 11.08822 1.191452 
15.64996 
1 1 1 27  25  22 o 24.65954 7.741880  33.63118       172.3631 -235.2353      
228.9585 385.3143       261.8570 17.98071 8.833794 31.33836 12.71656 -13.35765 
15.48376 
1 1 1 27  25  23 o 28.15496 8.616129  289.9517       189.5208 391.3427       
271.9694 194.2395       264.2433 30.60276 12.75321 25.70716 11.58906 4.895597 
17.23226 
1 1 1 27  25  24 o 21.17699 6.702296  82.41579       105.0458 -180.5122      
337.4810 110.6225       110.5369 21.21136 10.46026 21.14262 8.382488 
0.6874084E-01  13.40459 
1 1 1 27  26  2  o 26.88762 8.167587  228.0949       164.1497 414.4308       
262.0692 107.7924       210.5741 30.94923 12.66660 22.82601 10.31480 8.123220 
16.33517 
1 1 1 27  26  3  o 22.71832 7.079978  111.2513       132.0380 139.8828       
186.5016 82.47919       186.9590 23.53320 10.20508 21.90344 9.816348 1.629761 
14.15996 
1 1 1 27  26  4  o 22.64743 6.994726  97.97240       129.5070 13.97022       
189.8530 171.0775       177.1112 20.53400 9.462791 24.76086 10.30342 -4.226852 
13.98945 
1 1 1 27  26  5  o 27.26287 7.811189  230.5362       139.3474 232.5904       
195.3215 228.4070       198.8600 27.34694 11.02966 27.17879 11.06369 0.1681480 
15.62238 
1 1 1 27  26  6  o 20.34978 6.512215  -22.15692      128.5002 -200.7023      
192.0282 122.6284       172.9231 17.07060 8.316309 23.62896 10.02371 -6.558361 
13.02443 
1 1 1 27  26  7  o 26.03432 8.115221  155.2710       170.2089 101.0029       
301.9337 180.5505       206.0741 25.78004 11.90053 26.28860 11.03651 
-0.5085640     16.23044 
1 1 1 27  26  8  o 29.06641 8.682932  184.5695       170.8389 493.4339       
309.8921 49.71717       204.7650 35.41168 14.03678 22.72114 10.22458 12.69054 
17.36586 
1 1 1 27  26  9  o 27.72726 8.808806  172.1768       214.6054 241.0180       
313.8192 111.7020       294.1323 29.16206 12.91433 26.29246 11.98333 2.869602 
17.61761 
1 1 1 27  26  10 o 27.28696 8.651431  100.6413       202.7097 370.8677       
327.8391 -66.61871      257.9247 32.31088 13.75738 22.26305 10.49397 10.04783 
17.30286 
1 1 1 27  26  11 o 22.53696 7.597259  -91.34094      192.3643 -88.84190      
319.3343 -92.76427      240.9974 23.77685 11.37279 21.29708 10.07636 2.479771 
15.19452 
1 1 1 27  26  12 o 31.81249 8.747123  325.3084       170.5195 266.3402       
271.7233 363.6181       219.0142 29.91156 12.62067 33.71342 12.11476 -3.801857 
17.49425 
1 1 1 27  26  13 o 23.59977 7.657774  25.57219       171.3677 -16.75061      
269.0789 54.45207       222.2747 23.54739 11.00880 23.65216 10.64764 
-0.1047668     15.31555 
1 1 1 27  26  14 o 23.49643 7.561450  32.32770       165.8278 -82.04974      
271.4801 100.4029       209.4412 22.51525 10.67249 24.47761 10.71448 -1.962360 
15.12290 
1 1 1 27  26  15 o 20.71466 7.056323  -199.9840      179.4980 -2.442463      
270.6154 -355.1707      239.8560 23.77225 11.08525 17.65707 8.734067 6.115181 
14.11265 
1 1 1 27  26  16 o 29.95665 8.816168  258.6013       178.0093 385.6743       
293.6077 184.7433       223.8409 32.89009 13.42506 27.02321 11.43097 5.866880 
17.63234 
1 1 1 27  26  17 o 32.70671 8.719068  290.6425       180.1134 638.6244       
279.4448 43.34373       235.5747 41.90103 13.75514 23.51240 10.71843 18.38862 
17.43814 
1 1 1 27  26  18 o 27.90185 8.444686  218.0850       178.2123 278.5469       
247.7480 153.2544       256.5425 29.56596 12.23711 26.23774 11.64062 3.328226 
16.88937 
1 1 1 27  26  19 o 19.95958 6.838792  -171.2936      177.0869 -198.4582      
253.6849 -145.4764      247.3140 19.72016 9.597805 20.19901 9.744663 
-0.4788494     13.67758 
1 1 1 27  26  20 o 31.58014 8.662570  363.6018       169.4003 428.6951       
226.1487 280.3852       255.7003 34.45580 12.31756 28.70449 12.18352 5.751310 
17.32514 
1 1 1 27  26  21 o 21.62833 7.158357  -11.51878      167.3536 105.9506       
223.3035 -162.0405      252.7743 23.56927 10.63786 19.68738 9.581448 3.881891 
14.31671 
1 1 1 27  26  22 o 19.84516 6.802734  -219.5949      183.6959 100.3806       
254.8589 -565.5640      265.0088 23.63346 10.91874 16.05686 8.117257 7.576599 
13.60547 
1 1 1 27  26  23 o 24.12896 7.707379  112.2524       120.4482 341.9820       
329.6051 76.84602       129.3975 28.14208 12.78847 20.11583 8.606381 8.026249 
15.41476 
1 1 1 27  27  4  o 17.78515 6.012760  -90.52017      127.0464 -49.98288      
185.7310 -126.1669      174.1675 18.72028 8.851843 16.85002 8.139901 1.870266 
12.02552 
1 1 1 27  27  5  o 18.55573 6.206725  -54.47765      126.3274 -27.11381      
197.3705 -73.46702      164.4179 19.65914 9.241183 17.45233 8.288201 2.206814 
12.41345 
1 1 1 27  27  6  o 21.29503 6.907352  39.28247       140.8213 23.53430       
202.7659 53.95571       195.7236 21.04458 9.728951 21.54548 9.807832 
-0.5008945     13.81470 
1 1 1 27  27  7  o 19.89048 6.598483  -63.19910      144.7962 -224.2224      
211.5070 78.83342       198.6434 17.36108 8.516860 22.41989 10.08082 -5.058815 
13.19697 
1 1 1 27  27  8  o 27.96023 7.765683  232.7354       145.1785 376.2835       
200.2890 73.82218       210.7358 33.12483 11.61672 22.79563 10.30898 10.32921 
15.53137 
1 1 1 27  27  9  o 26.26950 8.408602  165.1350       200.8197 202.1327       
271.6399 120.5421       298.2217 26.95606 11.96639 25.58294 11.81626 1.373117 
16.81720 
1 1 1 27  27  10 o 29.89148 8.976094  309.4070       195.9584 293.1533       
305.0002 320.8328       255.7211 29.39391 12.89762 30.38905 12.48729 
-0.9951401     17.95219 
1 1 1 27  27  11 o 21.48638 7.212144  -68.54884      175.4274 -75.72878      
262.2334 -62.73281      236.0161 21.79512 10.39639 21.17764 9.998761 0.6174850 
14.42429 
1 1 1 27  27  12 o 23.20669 7.560129  11.45346       167.5572 156.2943       
264.9514 -85.08255      216.3044 26.29221 11.73697 20.12117 9.532350 6.171040 
15.12026 
1 1 1 27  27  13 o 26.75889 8.266327  181.4640       174.1665 183.6835       
278.1479 180.0325       223.3791 27.08841 12.06087 26.42937 11.30770 0.6590424 
16.53265 
1 1 1 27  27  14 o 24.44206 7.638092  84.06835       153.9596 234.9485       
239.5459 -22.12344      200.9640 28.11725 11.85606 20.76687 9.633054 7.350374 
15.27618 
1 1 1 27  27  15 o 19.24101 6.501909  -124.8127      149.6838 -215.0619      
225.2431 -53.43567      200.3130 18.43841 8.986996 20.04361 9.398575 -1.605204 
13.00382 
1 1 1 27  27  16 o 29.08731 8.087072  240.6993       153.9836 84.69491       
209.4636 424.1451       227.1402 23.39594 10.44017 34.77868 12.35337 -11.38274 
16.17414 
1 1 1 27  27  17 o 21.45998 7.077335  -8.556947      155.5474 -7.776187      
210.0286 -9.505405      231.4883 21.14907 9.824772 21.77089 10.18963 
-0.6218128     14.15467 
1 1 1 27  27  18 o 23.77720 7.603597  96.00391       163.6272 145.5060       
215.3203 28.34544       251.7297 24.73946 10.84619 22.81494 10.65922 1.924519 
15.20719 
1 1 1 27  27  19 o 26.02441 8.159943  191.0873       178.2731 245.6531       
250.9418 135.4881       253.3071 27.32846 11.84402 24.72036 11.22755 2.608101 
16.31989 
1 1 1 27  27  20 o 26.42748 8.128147  223.2598       167.8969 222.3573       
222.3455 224.4570       256.1003 26.38681 11.28524 26.46815 11.70087 
-0.8134651E-01 16.25629 
1 1 1 27  27  21 o 28.70543 8.844851  332.2786       197.8963 396.9991       
304.1255 284.7504       260.6197 29.80390 12.97959 27.60695 12.01898 2.196949 
17.68970 
1 1 1 27  27  22 f 20.05652 6.735461  9.055453       117.4863 -56.69559      
323.1671 19.06895       126.1156 22.17724 10.80133 17.93580 8.049663 4.241436 
13.47092 
1 1 1 27  28  6  o 23.34344 7.251398  129.9325       140.8592 40.94880       
206.5601 207.2817       192.5836 21.20389 9.809074 25.48300 10.68238 -4.279102 
14.50280 
1 1 1 27  28  7  o 19.10734 6.463336  -70.53937      145.7308 -81.76421      
213.7086 -60.78295      199.2402 19.18254 9.206061 19.03214 9.074539 0.1503963 
12.92667 
1 1 1 27  28  8  o 17.74384 6.127451  -185.2918      151.1852 -282.5896      
226.3591 -106.9332      203.1374 17.02583 8.437051 18.46186 8.888127 -1.436028 
12.25490 
1 1 1 27  28  9  o 23.08392 7.400319  95.51738       152.3893 154.9587       
239.9292 55.32423       197.2945 24.61094 11.07177 21.55690 9.822155 3.054043 
14.80064 
1 1 1 27  28  10 o 20.22167 6.835266  -85.77924      160.5448 -188.0764      
212.0818 51.51820       245.6987 17.74961 8.663684 22.69374 10.57469 -4.944126 
13.67053 
1 1 1 27  28  11 o 27.85734 8.482909  270.7476       180.0684 250.0981       
268.1270 287.7122       243.0291 27.30570 12.03446 28.40898 11.95871 -1.103283 
16.96582 
1 1 1 27  28  12 o 23.88683 7.701090  104.7464       168.1398 118.8121       
270.2233 95.86031       214.7823 24.58761 11.31421 23.18605 10.45063 1.401562 
15.40218 
1 1 1 27  28  13 o 25.51011 7.733509  154.8074       158.2790 -15.79070      
226.0852 318.7939       221.6609 21.13601 9.924123 29.88422 11.86341 -8.748215 
15.46702 
1 1 1 27  28  14 o 20.30389 6.806625  -50.77223      154.4429 -49.52624      
203.6918 -52.45727      236.8753 19.78732 9.326617 20.82047 9.916390 -1.033150 
13.61325 
1 1 1 27  28  15 o 24.14695 7.538394  71.93234       159.8609 317.3146       
235.8246 -136.6952      217.4469 29.50187 12.03516 18.79203 9.080997 10.70984 
15.07679 
1 1 1 27  28  16 o 24.98027 7.954843  148.7367       176.0806 80.53822       
241.9948 225.4664       256.6850 23.28093 10.71042 26.67960 11.76457 -3.398670 
15.90969 
1 1 1 27  28  17 o 32.94934 8.761902  423.1609       165.2877 433.5127       
220.5394 409.8944       249.6649 33.97813 12.16214 31.92055 12.61611 2.057573 
17.52380 
1 1 1 27  28  18 f 21.48418 7.116823  1.434032       160.0928 -83.19650      
212.6418 112.1743       243.2417 19.27083 9.232593 23.69752 10.83309 -4.426687 
14.23365 
1 1 1 27  28  19 o 25.77451 8.238559  183.3747       189.7000 356.2552       
289.5642 53.38908       251.0844 29.02070 12.65151 22.52833 10.55626 6.492369 
16.47712 
1 1 1 27  28  20 o 20.52231 7.143826  -49.56396      121.4107 175.7074       
377.3671 -75.57433      128.2284 25.56459 12.26030 15.48004 7.336345 10.08455 
14.28765 
1 1 1 27  28  21 o 26.82711 7.977966  207.7537       120.6848 394.5352       
326.3222 178.1585       129.8945 29.05279 12.99591 24.60143 9.257324 4.451359 
15.95593 
1 1 1 27  29  10 o 29.15029 8.268346  324.1247       154.1719 322.1507       
238.5357 325.5410       202.0440 28.66770 11.94501 29.63289 11.43586 
-0.9651909     16.53669 
1 1 1 27  29  11 o 19.51006 6.331501  14.22173       116.4037 47.00127       
181.9371 -8.495839      151.4610 20.73721 9.444234 18.28292 8.435526 2.454298 
12.66300 
1 1 1 27  29  12 o 19.84177 6.607879  -20.20560      141.7348 7.283382       
188.8660 -55.64608      214.4491 20.04074 9.312502 19.64281 9.377291 0.3979359 
13.21576 
1 1 1 27  29  13 o 24.27195 7.474493  138.8972       153.8979 287.7339       
207.4940 -43.09973      229.4471 28.22470 11.37457 20.31919 9.700067 7.905504 
14.94899 
1 1 1 27  29  14 o 26.17171 7.933521  227.6941       155.8689 239.6971       
207.0984 212.0113       236.7238 26.60557 11.11075 25.73785 11.32759 0.8677254 
15.86704 
1 1 1 27  29  15 o 19.33809 6.557163  -85.56229      155.5971 -167.0833      
239.6617 -26.16355      204.5750 18.81466 9.188428 19.86152 9.357263 -1.046850 
13.11433 
1 1 1 27  29  16 o 22.59654 7.330133  74.69908       164.1959 172.6988       
210.3603 -78.10165      262.6721 24.54951 10.74202 20.64357 9.976597 3.905945 
14.66027 
1 1 1 27  29  17 o 24.73483 7.989573  166.1510       187.4102 69.47209       
302.0574 226.6614       238.9675 23.45590 11.18130 26.01376 11.41541 -2.557867 
15.97915 
1 1 1 27  29  18 o 20.69127 6.856741  31.18220       127.7500 -61.62627      
313.0397 49.72720       139.9327 21.90832 10.66243 19.47421 8.623937 2.434105 
13.71348 
1 1 1 28  -8  0  o 24.45313 7.114256  144.1197       135.2912 310.6897       
178.9987 -77.82761      206.6219 29.89044 10.93126 19.01582 9.108138 10.87463 
14.22851 
1 1 1 28  -8  1  o 22.73312 7.278898  82.42181       141.8320 12.76798       
175.4146 213.9393       241.0377 19.72133 9.091160 25.74490 11.37015 -6.023573 
14.55780 
1 1 1 28  -8  2  o 27.28996 7.990518  258.0159       145.0257 239.3588       
177.7762 295.1335       250.7505 26.82440 10.63201 27.75552 11.93121 
-0.9311180     15.98104 
1 1 1 28  -8  3  o 23.32410 7.300940  133.3549       142.9220 174.3997       
175.6604 52.96964       245.8292 24.36844 10.20811 22.27976 10.44076 2.088682 
14.60188 
1 1 1 28  -8  4  o 33.04081 8.378946  410.8713       145.4853 390.5097       
181.0642 447.9657       244.3889 33.46822 11.07218 32.61340 12.57910 0.8548203 
16.75789 
1 1 1 28  -7  0  o 24.86523 7.277572  165.3482       130.9810 254.0883       
175.6488 54.19365       196.5843 28.03536 10.70347 21.69509 9.863470 6.340267 
14.55514 
1 1 1 28  -7  1  o 22.16931 6.621658  52.05169       132.6027 235.3494       
157.8173 -388.0808      244.5501 27.49652 10.23204 16.84211 8.407784 10.65442 
13.24332 
1 1 1 28  -7  2  o 22.05841 7.146096  12.82548       140.3203 -94.73229      
172.2054 225.3505       242.0643 17.54913 8.383816 26.56770 11.57490 -9.018570 
14.29219 
1 1 1 28  -7  3  o 20.08533 6.520195  14.04414       122.4750 -10.86826      
156.5715 53.31991       196.5926 18.62128 8.585937 21.54939 9.814960 -2.928116 
13.04039 
1 1 1 28  -7  4  o 41.25743 7.999662  551.6231       142.6524 440.1470       
185.7162 712.0461       222.7881 36.08899 11.14414 46.42587 11.47983 -10.33688 
15.99932 
1 1 1 28  -7  5  f 27.10047 7.688837  243.0068       132.1522 211.0655       
174.9621 285.4352       201.6491 25.86444 10.43600 28.33650 11.29437 -2.472067 
15.37767 
1 1 1 28  -7  6  o 40.77658 7.654645  547.0626       133.0632 562.4971       
172.2638 524.2304       209.5188 43.46246 9.690615 38.09070 11.85185 5.371761 
15.30929 
1 1 1 28  -7  7  o 20.31871 6.358103  64.74249       105.2438 61.63594       
134.3148 69.68331       169.3889 19.68040 8.597713 20.95701 9.369163 -1.276615 
12.71621 
1 1 1 28  -6  0  f 18.81562 6.327919  -115.5116      141.1285 -4.978420      
171.8290 -344.6464      247.3976 19.89787 9.099836 17.73338 8.795638 2.164494 
12.65584 
1 1 1 28  -6  1  o 34.45419 8.474084  378.4511       145.1909 299.5210       
179.9013 525.9047       245.8899 30.80857 10.98889 38.09980 12.90290 -7.291227 
16.94817 
1 1 1 28  -6  2  o 29.81142 7.583321  284.5286       141.6481 403.3858       
173.8150 49.51705       244.4100 36.26523 10.69551 23.35762 10.75328 12.90761 
15.16664 
1 1 1 28  -6  3  o 42.60019 7.620592  539.1192       131.2975 507.6251       
160.9244 601.8303       227.0800 42.78609 9.221840 42.41430 12.13472 0.3717880 
15.24118 
1 1 1 28  -6  4  o 33.60963 7.786229  332.0334       128.0924 208.4361       
160.8295 546.4379       211.8255 26.59986 10.21680 40.61940 11.75238 -14.01955 
15.57246 
1 1 1 28  -6  5  o 27.59101 7.479444  236.3174       120.2789 237.8716       
150.8820 233.6080       199.2188 27.96364 10.05468 27.21838 11.07572 0.7452602 
14.95889 
1 1 1 28  -6  6  o 16.77665 5.795390  -181.2131      128.0799 -212.6673      
163.6263 -131.4509      205.8084 15.18071 7.461284 18.37259 8.869918 -3.191882 
11.59078 
1 1 1 28  -6  7  o 34.57060 7.560791  359.5593       153.5324 748.0707       
227.2934 33.53460       208.2141 47.78963 11.45946 21.35157 9.866256 26.43806 
15.12158 
1 1 1 28  -6  8  o 31.92804 8.158113  342.9252       156.6932 621.1490       
235.6866 122.5325       209.7666 40.57855 12.55900 23.27754 10.41588 17.30102 
16.31623 
1 1 1 28  -6  9  o 35.84629 8.592793  514.3109       164.4901 390.9932       
254.8704 602.3437       215.3420 30.41045 12.47632 41.28214 11.81888 -10.87169 
17.18559 
1 1 1 28  -5  0  o 26.61349 7.801623  110.3416       141.9830 -26.49254      
174.2311 380.8511       244.9738 19.78675 9.096630 33.44023 12.67725 -13.65347 
15.60325 
1 1 1 28  -5  1  f 24.95380 7.601501  127.1435       140.0911 128.3865       
172.3600 124.7238       240.4716 24.30627 10.14242 25.60133 11.32531 -1.295059 
15.20300 
1 1 1 28  -5  2  o 27.57072 7.857180  209.1325       137.5209 213.2270       
170.3790 201.4785       232.9480 27.61263 10.54179 27.52881 11.65383 
0.8381462E-01  15.71436 
1 1 1 28  -5  3  o 29.78176 7.699061  254.6386       123.1264 211.7825       
157.2164 322.6212       198.0116 27.53276 10.21910 32.03076 11.51834 -4.498005 
15.39812 
1 1 1 28  -5  4  o 30.88800 7.970967  292.5410       133.3521 267.3854       
175.7235 326.6994       204.7674 29.85416 10.83931 31.92185 11.68994 -2.067692 
15.94193 
1 1 1 28  -5  5  o 28.85929 7.316001  235.4762       130.4785 382.9892       
171.9837 35.42793       200.2809 35.63971 10.66845 22.07887 10.01398 13.56084 
14.63200 
1 1 1 28  -5  6  o 25.27242 7.521120  152.5950       132.7525 216.0319       
213.1075 112.3683       169.7011 27.27632 11.32307 23.26851 9.902377 4.007801 
15.04224 
1 1 1 28  -5  7  o 24.98591 7.679142  151.7716       149.8881 158.3057       
216.3828 145.7443       207.8237 25.21984 10.96517 24.75197 10.75369 0.4678707 
15.35828 
1 1 1 28  -5  8  o 26.73985 6.993154  176.5886       135.7798 -169.7783      
219.2598 392.0388       172.9276 18.44182 8.959007 35.03788 10.74025 -16.59606 
13.98631 
1 1 1 28  -5  9  o 23.12232 7.428167  83.33992       156.1188 186.3248       
236.6644 4.000506       207.7259 25.46464 11.25385 20.78000 9.698533 4.684639 
14.85633 
1 1 1 28  -5  10 o 21.73801 6.888001  5.152150       144.3825 242.4727       
201.3823 -245.8692      207.1138 26.80865 11.05973 16.66736 8.213441 10.14128 
13.77600 
1 1 1 28  -5  11 o 22.18574 7.236712  70.11619       157.0830 72.31679       
234.1808 68.31612       211.7993 22.44436 10.40640 21.92712 10.05916 0.5172405 
14.47342 
1 1 1 28  -4  0  o 31.22757 7.630424  250.0821       122.5625 145.1095       
154.2640 429.7635       201.8265 24.88959 9.891749 37.56556 11.62096 -12.67597 
15.26085 
1 1 1 28  -4  1  o 30.21961 8.065932  216.4940       130.4165 130.5521       
154.2291 432.1485       244.3110 24.28867 9.799013 36.15055 12.81469 -11.86188 
16.13186 
1 1 1 28  -4  2  o 35.95512 7.846783  341.2068       135.4387 185.8443       
170.5110 606.8007       222.9400 26.83671 10.47477 45.07354 11.68620 -18.23683 
15.69357 
1 1 1 28  -4  3  o 42.09692 7.622188  512.8122       135.1959 537.9669       
178.7628 479.1986       206.6456 44.45313 9.839913 39.74072 11.64333 4.712418 
15.24438 
1 1 1 28  -4  4  o 24.68302 7.367935  116.7156       130.4347 68.04029       
173.4819 180.0144       197.8325 22.53775 9.808919 26.82829 10.99686 -4.290546 
14.73587 
1 1 1 28  -4  5  o 19.52797 6.259090  -7.522042      110.1336 -8.150044      
148.8633 -6.762655      163.6960 19.14587 8.661117 19.91006 9.038247 
-0.7641945     12.51818 
1 1 1 28  -4  6  o 30.23364 8.262461  279.0251       149.1288 295.0157       
216.1927 264.5098       205.9779 30.77424 11.83920 29.69304 11.52850 1.081198 
16.52492 
1 1 1 28  -4  7  o 21.97536 6.696170  -18.53771      134.8746 219.5862       
177.5795 -343.1759      207.3438 27.78012 10.72110 16.17059 8.025755 11.60953 
13.39234 
1 1 1 28  -4  8  o 18.85393 6.322913  -114.5071      138.4829 -13.49329      
184.2592 -245.6294      209.9312 20.31141 9.344937 17.39645 8.519920 2.914959 
12.64583 
1 1 1 28  -4  9  o 21.99979 7.124676  12.46862       154.4922 -141.4336      
237.4966 125.3657       203.4119 19.78101 9.544559 24.21856 10.58043 -4.437544 
14.24935 
1 1 1 28  -4  10 o 19.44394 6.605021  -164.2677      156.7639 62.14667       
235.7585 -343.7142      209.8857 22.96397 10.56751 15.92391 7.926727 7.040061 
13.21004 
1 1 1 28  -4  11 o 21.59355 7.007261  38.18468       136.6683 133.2415       
232.9258 -11.72200      168.7739 24.09538 10.87056 19.09171 8.845212 5.003664 
14.01452 
1 1 1 28  -4  12 o 22.77615 7.212149  68.74828       152.4014 -123.5384      
219.6127 247.3662       211.6632 18.74289 9.069112 26.80942 11.21658 -8.066528 
14.42430 
1 1 1 28  -3  0  o 21.51912 6.991487  -29.97456      137.0402 -71.68020      
170.1749 46.96758       231.1427 18.88333 8.799716 24.15491 10.86685 -5.271587 
13.98297 
1 1 1 28  -3  1  o 46.96397 7.731321  595.1858       145.3356 518.4179       
181.3794 732.8830       242.9185 43.70094 10.08376 50.22700 11.72225 -6.526062 
15.46264 
1 1 1 28  -3  2  o 28.35984 7.436038  214.6100       122.4019 272.9421       
159.1956 130.2605       191.4336 31.32265 10.38203 25.39703 10.64857 5.925629 
14.87208 
1 1 1 28  -3  3  o 50.44558 5.896767  635.8545       121.3645 704.2114       
171.7006 567.6013       171.5702 54.03648 7.568430 46.85468 9.044684 7.181797 
11.79353 
1 1 1 28  -3  4  o 33.96564 8.129969  343.1049       137.5316 349.0117       
179.2713 334.6557       214.4093 34.71258 10.99193 33.21871 11.98178 1.493870 
16.25994 
1 1 1 28  -3  5  o 34.95730 8.529980  378.5034       152.7385 350.5500       
223.1462 403.1443       209.5079 33.63396 12.21436 36.28064 11.91014 -2.646679 
17.05996 
1 1 1 28  -3  6  o 46.73843 7.899711  625.0679       155.0140 797.9010       
228.9342 478.7379       210.6512 53.76984 10.51636 39.70702 11.79101 14.06282 
15.79942 
1 1 1 28  -3  7  o 37.70263 7.650179  361.5842       137.7190 710.6855       
228.2614 161.7686       172.6917 49.55880 11.22870 25.84646 10.39313 23.71233 
15.30036 
1 1 1 28  -3  8  o 28.21771 8.179998  218.6847       154.3206 225.6605       
230.8126 213.0455       207.5246 28.50501 11.80554 27.93040 11.32601 0.5746059 
16.36000 
1 1 1 28  -3  9  f 35.93042 8.410950  401.0598       142.9292 484.2975       
240.9302 355.8577       177.5460 37.58466 12.77211 34.27618 10.94758 3.308483 
16.82190 
1 1 1 28  -3  10 o 25.47539 7.391028  78.92976       158.4451 -316.1641      
247.3383 353.9056       206.3425 18.15633 8.953991 32.79445 11.76160 -14.63811 
14.78206 
1 1 1 28  -3  11 o 20.32004 6.703746  -46.56684      140.7996 -144.0924      
190.1336 71.85571       209.5159 17.77452 8.567429 22.86556 10.31310 -5.091036 
13.40749 
1 1 1 28  -3  12 o 22.36365 7.188597  44.69952       150.1041 177.9384       
217.8385 -75.75587      207.1250 25.33574 11.00857 19.39156 9.247441 5.944174 
14.37719 
1 1 1 28  -3  13 o 25.34588 7.379169  155.3785       146.5177 -90.89757      
218.7740 355.6813       197.3005 19.31070 9.278946 31.38107 11.47649 -12.07037 
14.75834 
1 1 1 28  -3  14 o 33.70632 8.586758  432.7348       153.5562 529.8362       
240.8216 366.2066       199.3358 35.98299 12.72612 31.42966 11.53150 4.553331 
17.17352 
1 1 1 28  -2  0  o 23.56066 7.374869  44.32801       137.4888 8.300462       
170.0125 112.4241       233.7355 21.01892 9.391891 26.10240 11.37309 -5.083487 
14.74974 
1 1 1 28  -2  1  o 21.59636 6.809800  17.90429       121.4311 12.58867       
151.9921 27.28443       201.9059 20.29892 8.988670 22.89379 10.23217 -2.594875 
13.61960 
1 1 1 28  -2  2  o 51.13942 6.630467  651.9163       137.8483 538.7775       
178.3603 819.7413       217.2304 45.24257 9.672432 57.03627 9.071738 -11.79369 
13.26093 
1 1 1 28  -2  3  o 39.55402 7.322001  452.7136       135.0000 620.2933       
180.9829 242.5156       202.6941 49.21962 9.100815 29.88841 11.47266 19.33122 
14.64400 
1 1 1 28  -2  4  o 26.41821 7.215713  165.7140       119.8835 233.0492       
151.0074 50.93239       197.1575 29.50385 10.11151 23.33257 10.29677 6.171278 
14.43143 
1 1 1 28  -2  5  o 49.04659 7.166445  638.2103       140.0509 680.7761       
223.2959 610.6075       179.8154 49.38272 11.04872 48.71046 9.130034 0.6722679 
14.33289 
1 1 1 28  -2  6  o 24.59617 7.537655  86.04610       145.9041 16.31869       
210.7641 150.2109       202.1823 22.82182 10.31584 26.37053 10.99311 -3.548706 
15.07531 
1 1 1 28  -2  7  o 24.99878 7.430272  120.7760       133.4480 160.0865       
176.2052 67.90127       204.3564 26.13372 10.50260 23.86383 10.51338 2.269896 
14.86054 
1 1 1 28  -2  8  o 25.79753 7.638867  132.9957       141.6386 53.87713       
198.7137 214.7039       201.9397 23.19296 10.27302 28.40209 11.30815 -5.209133 
15.27773 
1 1 1 28  -2  9  o 30.72349 8.352069  252.6306       155.8331 434.6187       
241.5612 122.9073       203.9458 36.28291 12.75439 25.16407 10.78674 11.11884 
16.70414 
1 1 1 28  -2  10 f 27.90790 8.224935  196.1172       159.3761 293.8574       
244.0484 123.4371       210.4492 30.69575 12.35016 25.12005 10.86608 5.575697 
16.44987 
1 1 1 28  -2  11 f 22.35530 7.152879  -32.23671      151.0040 194.1302       
224.1830 -220.2358      204.3027 27.12336 11.45485 17.58724 8.569785 9.536119 
14.30576 
1 1 1 28  -2  12 o 30.86961 7.632168  309.1787       136.3255 134.5498       
233.0850 399.9750       168.0700 25.17737 11.14232 36.56184 10.43306 -11.38447 
15.26434 
1 1 1 28  -2  13 o 17.78836 6.079553  -175.6615      142.7061 -334.8485      
218.1770 -56.63444      188.6593 16.41637 8.159342 19.16036 9.014932 -2.743994 
12.15911 
1 1 1 28  -2  14 f 29.09241 7.785127  283.2305       138.1083 398.5696       
193.5337 163.5462       197.1455 33.69382 11.44709 24.49100 10.55447 9.202818 
15.57025 
1 1 1 28  -2  15 o 24.69983 7.444621  165.9069       147.7661 -5.276157      
228.4786 288.9902       193.7380 20.90314 9.859944 28.49651 11.15666 -7.593367 
14.88924 
1 1 1 28  -1  0  o 28.25857 7.892727  197.2766       139.8102 235.6263       
174.3217 128.1311       234.0736 29.75956 10.79687 26.75757 11.51556 3.001987 
15.78545 
1 1 1 28  -1  1  o 29.16050 7.436997  213.3761       127.0065 327.7228       
171.0795 72.97816       189.5687 34.43333 10.70876 23.88768 10.32270 10.54565 
14.87399 
1 1 1 28  -1  2  o 21.38346 6.796294  -5.247818      127.2316 -31.60152      
170.9940 27.43996       190.4377 20.14846 9.170662 22.61845 10.03282 -2.469990 
13.59259 
1 1 1 28  -1  3  f 38.09130 7.799035  398.6021       130.8284 347.8678       
171.8286 468.5813       201.8038 35.51904 10.66997 40.66356 11.37768 -5.144516 
15.59807 
1 1 1 28  -1  4  o 27.82520 8.008380  117.7269       152.8929 355.1657       
243.5326 -36.74374      196.4283 34.40466 12.72887 21.24575 9.721750 13.15891 
16.01676 
1 1 1 28  -1  5  o 37.10083 8.593484  407.1082       153.3746 433.6556       
232.3431 386.6059       204.1839 37.77144 12.54243 36.43021 11.75071 1.341228 
17.18697 
1 1 1 28  -1  6  o 32.51992 8.266622  299.8073       147.2303 218.7056       
209.9161 378.3326       206.5549 29.15541 11.55404 35.88443 11.82591 -6.729025 
16.53324 
1 1 1 28  -1  7  o 18.66675 6.318190  -209.9594      143.4130 -39.90728      
206.7323 -367.7114      199.1153 21.49566 9.893419 15.83785 7.861193 5.657807 
12.63638 
1 1 1 28  -1  8  o 23.85830 7.430417  43.88632       151.5181 -93.78967      
229.2138 150.7356       201.9284 21.27446 9.989750 26.44215 11.00224 -5.167694 
14.86083 
1 1 1 28  -1  9  o 21.11378 6.914053  -71.37946      151.1210 -219.6700      
229.1909 42.68233       201.0068 19.14921 9.265553 23.07836 10.26480 -3.929152 
13.82811 
1 1 1 28  -1  10 o 19.67292 6.616661  -103.9909      138.2419 -152.5734      
253.1847 -83.35479      165.0104 21.07141 10.09021 18.27443 8.562034 2.796978 
13.23332 
1 1 1 28  -1  11 o 24.76470 7.512362  74.81715       148.7413 248.0276       
214.6569 -85.16290      206.2960 29.39450 11.67275 20.13490 9.459878 9.259600 
15.02472 
1 1 1 28  -1  12 o 27.37168 7.940847  181.6814       146.2923 306.8257       
226.6713 92.34169       191.5197 31.09694 12.08958 23.64643 10.29904 7.450506 
15.88169 
1 1 1 28  -1  13 o 18.76410 6.342278  -131.0394      142.7611 -202.0607      
214.8847 -74.92461      191.0073 18.23330 8.861307 19.29489 9.076077 -1.061594 
12.68456 
1 1 1 28  -1  14 o 20.31325 6.729673  -36.36364      143.4961 -0.6889933     
216.7846 -64.18401      191.4388 21.40032 9.956905 19.22618 9.056161 2.174131 
13.45935 
1 1 1 28  -1  15 o 19.83437 6.568466  -72.54982      148.1169 -323.2332      
231.7417 100.5821       192.5883 16.94929 8.422144 22.71945 10.08199 -5.770163 
13.13693 
1 1 1 28  -1  16 o 21.81153 6.983997  58.92353       146.0820 164.6826       
185.1693 -115.3847      237.7219 24.17090 10.31684 19.45216 9.416348 4.718739 
13.96799 
1 1 1 28  0   0  o 28.01812 7.819270  156.3865       133.2335 71.97868       
166.2456 307.9417       222.7636 23.08474 9.811909 32.95150 12.17745 -9.866764 
15.63854 
1 1 1 28  0   1  o 20.58110 6.579806  -62.93555      124.1692 -178.7335      
165.0348 88.13033       188.4987 16.69060 8.029495 24.47159 10.42605 -7.780991 
13.15961 
1 1 1 28  0   2  o 24.36738 7.042656  107.3593       114.1422 141.6478       
168.0257 77.97768       155.5393 25.80993 10.30277 22.92482 9.604628 2.885115 
14.08531 
1 1 1 28  0   3  o 20.07438 6.210843  -36.51809      107.4668 -176.4695      
148.4131 117.7498       155.8194 15.65399 7.551213 24.49476 9.862934 -8.840777 
12.42169 
1 1 1 28  0   4  o 25.12611 7.531403  73.00915       133.7171 212.4357       
225.1458 -2.972541      166.2056 29.48270 11.86218 20.76951 9.283144 8.713190 
15.06281 
1 1 1 28  0   5  o 28.47153 7.497787  201.2132       129.2142 54.71574       
212.6716 286.9375       162.6846 24.32607 10.72002 32.61699 10.48563 -8.290918 
14.99557 
1 1 1 28  0   6  o 24.17010 7.412356  49.63823       145.3918 -75.67311      
212.0137 160.8863       199.7629 21.18104 9.851737 27.15915 11.07770 -5.978115 
14.82471 
1 1 1 28  0   7  f 32.15195 8.443725  291.3535       153.7728 240.2164       
226.7214 334.9179       209.2617 30.25198 12.00163 34.05193 11.88052 -3.799950 
16.88745 
1 1 1 28  0   8  o 26.87901 7.965858  148.7933       151.1295 129.8150       
230.6046 163.0809       200.0880 26.68768 11.45598 27.07035 11.07159 
-0.3826752     15.93172 
1 1 1 28  0   9  o 29.42197 8.209558  221.3394       156.1887 108.1610       
233.5586 312.8997       210.0719 26.04232 11.35763 32.80161 11.85713 -6.759295 
16.41912 
1 1 1 28  0   10 o 25.84087 7.857071  117.3530       152.6923 161.3069       
231.2128 83.35726       203.3413 27.31085 11.58839 24.37089 10.61336 2.939953 
15.71414 
1 1 1 28  0   11 o 28.35776 7.418387  165.5384       143.5648 -116.2786      
214.0530 395.9622       193.5537 20.10905 9.505831 36.60646 11.39162 -16.49741 
14.83677 
1 1 1 28  0   12 f 23.63082 7.375196  68.89977       143.0374 60.36980       
214.6434 75.71374       191.8423 23.77146 10.58918 23.49018 10.26856 0.2812786 
14.75039 
1 1 1 28  0   13 o 21.06994 6.635988  -14.41983      131.8716 -270.8938      
218.6694 132.1679       165.3161 17.71832 8.681779 24.42155 10.03853 -6.703224 
13.27198 
1 1 1 28  0   14 o 28.93898 7.910862  208.8755       147.3340 431.7336       
223.1519 36.65224       196.1698 35.81400 12.29015 22.06397 9.963889 13.75002 
15.82172 
1 1 1 28  0   15 o 25.23114 7.810225  145.1917       160.2448 220.0992       
224.9726 68.04881       228.3048 27.18409 11.47748 23.27819 10.59556 3.905905 
15.62045 
1 1 1 28  0   16 o 21.22102 7.047668  -9.578317      160.7572 46.25399       
222.5110 -70.54040      232.5084 22.14910 10.22126 20.29295 9.705890 1.856152 
14.09534 
1 1 1 28  0   17 o 21.58157 7.249561  -4.031708      179.3477 -51.16037      
264.2773 36.20313       244.1847 21.11803 10.15978 22.04511 10.34424 
-0.9270744     14.49912 
1 1 1 28  1   0  o 24.04650 7.152953  40.65442       126.5032 -75.79523      
163.5788 213.9281       199.5373 18.77901 8.703279 29.31400 11.35394 -10.53498 
14.30591 
1 1 1 28  1   1  o 31.18147 7.752614  252.2782       125.9073 204.6068       
168.5730 312.4267       189.3527 28.65863 10.59278 33.70432 11.32277 -5.045696 
15.50523 
1 1 1 28  1   2  f 31.43000 7.694604  246.7954       120.0611 197.8215       
149.5162 335.7005       201.4509 28.18593 10.02154 34.67408 11.67889 -6.488150 
15.38921 
1 1 1 28  1   3  o 33.80404 8.598298  321.0734       155.6838 298.9249       
244.9214 336.0898       201.6685 32.90323 12.61662 34.70485 11.68519 -1.801620 
17.19660 
1 1 1 28  1   4  o 33.26099 8.266107  294.3736       146.6247 409.1834       
215.4327 195.2958       200.1292 37.81853 12.05721 28.70344 11.31096 9.115091 
16.53221 
1 1 1 28  1   5  f 29.08334 7.794519  174.8891       146.8157 -20.79496      
211.0189 358.4845       204.3970 22.50615 10.22873 35.66053 11.76398 -13.15438 
15.58904 
1 1 1 28  1   6  o 33.08082 8.377622  300.1529       148.3409 360.2961       
216.5098 246.9414       203.6514 35.46102 12.10753 30.70062 11.58213 4.760395 
16.75524 
1 1 1 28  1   7  o 22.93687 7.300301  -0.1502313     147.1435 40.53440       
223.1678 -31.43932      195.7100 24.38014 10.83165 21.49361 9.790451 2.886526 
14.60060 
1 1 1 28  1   8  o 52.78746 7.445200  784.9988       153.5912 566.5242       
252.5495 913.2332       193.4855 43.30236 12.92105 62.27257 7.400701 -18.97021 
14.89040 
1 1 1 28  1   9  o 31.94321 8.422017  284.7212       157.2924 182.3618       
238.2812 363.7692       209.3974 28.51717 11.91405 35.36924 11.90701 -6.852070 
16.84403 
1 1 1 28  1   10 o 41.42316 8.537564  520.1070       162.7238 411.1941       
247.3694 603.1866       216.0497 36.38768 12.89507 46.45864 11.19273 -10.07096 
17.07513 
1 1 1 28  1   11 o 34.27092 7.930579  338.3366       130.4973 323.5905       
215.1837 346.9148       164.1219 33.10971 11.99736 35.43213 10.37495 -2.322414 
15.86116 
1 1 1 28  1   12 o 28.03559 8.005981  198.0597       144.7856 204.7293       
219.2585 192.9027       192.7994 28.39344 11.59747 27.67774 11.04000 0.7157001 
16.01196 
1 1 1 28  1   13 o 28.55955 7.639784  124.4475       147.3834 458.9744       
225.0428 -126.7957      195.0279 38.16992 12.33878 18.94917 9.012201 19.22075 
15.27957 
1 1 1 28  1   14 o 20.29070 6.686258  -53.01565      138.3124 -16.68497      
175.4567 -112.6494      224.7913 20.21925 9.226080 20.36214 9.680065 
-0.1428986     13.37252 
1 1 1 28  1   15 o 20.12120 6.781419  -135.9696      161.7936 -1.387077      
223.2917 -284.7318      234.7603 22.14138 10.22588 18.10102 8.909656 4.040359 
13.56284 
1 1 1 28  1   16 o 29.25359 8.344075  258.5688       163.3054 120.6181       
219.8838 428.2604       243.8718 24.41340 10.81091 34.09377 12.71293 -9.680374 
16.68815 
1 1 1 28  1   17 o 24.96167 8.060764  129.4610       184.9419 263.4553       
289.6978 37.28582       240.2753 27.53553 12.28295 22.38782 10.44188 5.147715 
16.12153 
1 1 1 28  1   18 o 27.47099 8.233651  228.0737       193.1459 -129.3327      
294.4049 498.1457       255.9197 20.81650 10.17020 34.12549 12.95141 -13.30900 
16.46730 
1 1 1 28  2   0  o 18.53715 6.164331  -116.4577      122.0418 -133.8533      
163.2553 -94.42249      183.7415 17.52498 8.292463 19.54932 9.123101 -2.024340 
12.32866 
1 1 1 28  2   1  o 28.04987 7.015669  167.9911       112.9912 316.7218       
165.0553 36.82132       155.0052 34.50090 10.47641 21.59884 9.333984 12.90206 
14.03134 
1 1 1 28  2   2  o 29.36291 7.787216  206.3005       128.8798 163.5523       
168.5643 266.4540       199.9574 26.96676 10.43750 31.75906 11.55948 -4.792295 
15.57443 
1 1 1 28  2   3  o 22.46191 7.162405  -28.75340      147.8483 -174.6972      
230.0844 73.89234       192.9589 20.46670 9.756913 24.45713 10.48822 -3.990429 
14.32481 
1 1 1 28  2   4  o 21.05505 6.726185  -30.88960      125.9398 -74.65784      
167.6958 25.72888       190.7312 19.15606 8.852750 22.95404 10.12892 -3.797977 
13.45237 
1 1 1 28  2   5  o 24.44782 7.173211  78.86093       128.9015 179.8072       
171.5013 -52.20628      195.4202 27.72981 10.57939 21.16583 9.690014 6.563980 
14.34642 
1 1 1 28  2   6  o 36.88976 8.020672  372.8159       135.7354 347.5955       
182.8893 403.7433       202.5270 35.72903 11.06427 38.05050 11.61493 -2.321468 
16.04134 
1 1 1 28  2   7  o 25.21575 7.511430  92.35865       137.8255 23.62989       
192.8085 164.1748       197.0915 22.90070 10.13449 27.53081 11.08956 -4.630108 
15.02286 
1 1 1 28  2   8  o 25.92099 7.721365  99.36023       151.0755 -44.33258      
233.5158 202.7992       198.1257 22.92561 10.53609 28.91638 11.29021 -5.990768 
15.44273 
1 1 1 28  2   9  o 23.86012 7.358810  -69.57085      149.1904 253.4510       
234.6170 -288.8547      193.3067 31.04623 12.24282 16.67400 8.168333 14.37223 
14.71762 
1 1 1 28  2   10 o 20.88681 6.728849  -21.72296      122.5133 -31.55722      
219.6317 -17.28077      147.6123 22.46345 10.27936 19.31017 8.685878 3.153271 
13.45770 
1 1 1 28  2   11 o 18.08785 6.173708  -208.6079      141.1412 -273.8975      
210.7762 -155.5338      190.0383 17.70107 8.639449 18.47463 8.821486 
-0.7735558     12.34742 
1 1 1 28  2   12 o 28.40098 8.005715  201.6423       145.4512 147.2947       
220.3364 243.6173       193.6382 26.84233 11.34713 29.95963 11.29639 -3.117308 
16.01143 
1 1 1 28  2   13 o 26.74425 7.912595  145.3902       151.3461 237.1427       
218.6795 61.03752       209.6759 29.56667 11.76886 23.92183 10.57972 5.644840 
15.82519 
1 1 1 28  2   14 o 38.23635 8.455350  445.3984       149.5417 474.4101       
228.5993 423.6964       197.7146 38.78413 12.42577 37.68858 11.47048 1.095558 
16.91070 
1 1 1 28  2   15 o 26.46395 7.623945  155.1978       147.3589 284.3954       
189.7718 -41.00728      233.8620 30.91182 11.26023 22.01608 10.28132 8.895744 
15.24789 
1 1 1 28  2   16 o 25.49650 7.935351  110.0615       169.2181 247.0107       
243.1152 -18.63800      235.6790 28.79397 12.03229 22.19902 10.34906 6.594955 
15.87070 
1 1 1 28  2   17 o 21.68961 7.319546  -70.06036      185.9943 -171.0151      
294.5645 -3.122920      239.8565 21.23521 10.33711 22.14401 10.36567 
-0.9088078     14.63909 
1 1 1 28  2   18 o 22.88126 7.573562  25.39938       189.5081 -169.4901      
297.6008 158.3289       245.7823 20.79759 10.17590 24.96494 11.21991 -4.167343 
15.14712 
1 1 1 28  2   19 o 30.02851 8.984328  372.7539       195.4399 539.4468       
299.4559 249.0654       257.9521 33.44957 13.58995 26.60744 11.75525 6.842127 
17.96866 
1 1 1 28  3   0  o 18.69123 6.202168  -113.3637      121.6838 -134.3704      
159.7102 -84.29530      187.8734 17.32872 8.200699 20.05373 9.306775 -2.725018 
12.40434 
1 1 1 28  3   1  o 24.63594 7.015038  111.8191       112.4959 76.20987       
163.5371 143.8046       154.9930 23.42759 9.833375 25.84429 10.00738 -2.416702 
14.03008 
1 1 1 28  3   2  o 39.10662 7.229195  426.8119       124.2625 509.6933       
155.1459 278.5011       207.5384 45.78154 8.384115 32.43170 11.77929 13.34985 
14.45839 
1 1 1 28  3   3  o 27.21166 7.684188  82.42373       147.1179 324.9488       
220.3083 -112.7688      197.6443 34.38933 12.17109 20.03399 9.383581 14.35534 
15.36838 
1 1 1 28  3   4  o 31.25753 7.770643  228.1876       129.8496 123.0554       
169.4504 377.7446       202.1055 25.46342 10.27191 37.05165 11.66273 -11.58824 
15.54129 
1 1 1 28  3   5  o 39.49439 7.380344  411.8334       124.9671 365.2524       
179.9876 455.1887       173.6435 36.95615 10.87884 42.03262 9.976416 -5.076469 
14.76069 
1 1 1 28  3   6  o 38.83462 6.749703  386.9200       123.7501 171.8912       
176.0331 597.0165       174.0025 27.57172 10.66735 50.09752 8.272951 -22.52580 
13.49941 
1 1 1 28  3   7  o 21.94473 6.833105  -1.393215      122.0721 96.29233       
190.0229 -70.03395      159.2875 25.10505 10.57151 18.78440 8.660745 6.320660 
13.66621 
1 1 1 28  3   8  o 23.47721 7.267160  46.03719       130.9662 25.13255       
229.7923 56.09430       159.3861 24.47496 10.92800 22.47945 9.582547 1.995512 
14.53432 
1 1 1 28  3   9  o 31.41949 8.314129  261.9128       148.3096 224.3991       
234.9179 286.7734       191.2393 30.28623 12.14529 32.55276 11.35741 -2.266531 
16.62826 
1 1 1 28  3   10 o 23.29889 7.278582  34.18542       138.5341 38.91050       
212.1151 30.67075       182.9401 23.99961 10.62415 22.59817 9.951810 1.401436 
14.55716 
1 1 1 28  3   11 o 25.76109 7.385116  93.76278       142.0220 -131.7460      
217.7817 260.6302       187.3378 20.40894 9.626692 31.11325 11.20208 -10.70432 
14.77023 
1 1 1 28  3   12 o 24.96298 7.456918  50.28584       141.5068 249.8877       
216.0486 -99.67443      187.2653 30.51049 11.81498 19.41547 9.101029 11.09502 
14.91384 
1 1 1 28  3   13 o 30.94471 8.170689  211.5440       161.6758 -18.01595      
220.9966 475.8773       237.1447 22.60084 10.32930 39.28859 12.66279 -16.68776 
16.34138 
1 1 1 28  3   14 o 42.18915 8.721566  536.1170       167.0033 414.0076       
225.5669 684.2510       248.4438 36.58810 12.35818 47.79020 12.31009 -11.20211 
17.44313 
1 1 1 28  3   15 o 19.99612 6.676771  -97.53231      144.4978 -125.0109      
227.6459 -78.99046      186.9991 20.48430 9.739654 19.50794 9.135437 0.9763565 
13.35354 
1 1 1 28  3   16 o 28.16611 7.819024  99.30125       157.2647 -172.9555      
206.1712 478.1341       243.1993 18.55415 8.937866 37.77807 12.83211 -19.22392 
15.63805 
1 1 1 28  3   17 o 30.55217 8.802301  244.2197       187.8244 550.1046       
291.3667 26.73141       245.6851 37.75459 13.93202 23.34975 10.76201 14.40484 
17.60460 
1 1 1 28  3   18 o 27.35975 8.489797  216.2965       193.7631 83.06716       
292.6000 320.3512       258.5862 24.75532 11.53711 29.96419 12.45800 -5.208872 
16.97959 
1 1 1 28  3   19 o 20.62148 7.072146  -118.3945      190.6999 -104.4901      
285.4727 -129.5993      256.2660 21.17991 10.26829 20.06305 9.727451 1.116859 
14.14429 
1 1 1 28  3   20 o 38.66461 9.672242  669.0720       199.6483 590.6332       
287.7608 741.8717       277.2245 35.47752 13.65681 41.85170 13.70038 -6.374184 
19.34448 
1 1 1 28  4   0  o 43.42080 7.045578  497.1269       129.4814 597.3170       
172.9435 369.3326       195.3204 50.13357 8.216687 36.70802 11.44757 13.42555 
14.09116 
1 1 1 28  4   1  o 27.26390 7.489470  164.4062       122.2055 171.7414       
161.5196 154.5853       186.8930 27.33952 10.31454 27.18828 10.86180 0.1512394 
14.97894 
1 1 1 28  4   2  o 25.72374 7.748651  90.87598       147.9943 28.15689       
235.3146 131.9177       190.3538 24.96298 11.10458 26.48451 10.80994 -1.521528 
15.49730 
1 1 1 28  4   3  o 24.53188 7.499879  60.88895       141.3583 61.23000       
207.5199 60.59372       193.0818 24.82507 10.76503 24.23868 10.44543 0.5863838 
14.99976 
1 1 1 28  4   4  o 25.92742 7.435660  65.88960       127.5771 273.8074       
214.6969 -47.59748      158.6182 32.43654 11.96108 19.41829 8.836781 13.01825 
14.87132 
1 1 1 28  4   5  o 35.17392 7.912401  326.7394       144.4338 151.5164       
210.7504 481.9255       198.3350 27.77471 11.36172 42.57312 11.01525 -14.79840 
15.82480 
1 1 1 28  4   6  o 27.45711 7.983366  121.3474       149.0487 246.7843       
230.0469 30.59511       195.6738 31.44765 12.18887 23.46658 10.31348 7.981073 
15.96673 
1 1 1 28  4   7  o 26.49594 7.923326  91.98289       151.6606 201.5232       
235.8697 14.77621       198.0216 29.90092 12.09544 23.09096 10.23801 6.809958 
15.84665 
1 1 1 28  4   8  o 20.24010 6.691891  -129.4123      146.0199 -303.7207      
232.1991 -15.38818      187.8017 18.71504 9.122349 21.76515 9.793282 -3.050104 
13.38378 
1 1 1 28  4   9  o 46.87120 7.915133  568.9013       150.8092 718.8499       
245.1266 477.5779       191.2979 51.39801 11.62972 42.34439 10.73997 9.053627 
15.83027 
1 1 1 28  4   10 o 31.00918 7.934401  245.8206       128.1374 269.0449       
221.4566 234.1322       157.1075 31.85498 12.06010 30.16337 10.31372 1.691605 
15.86880 
1 1 1 28  4   11 o 39.77275 8.391956  433.0366       151.6853 587.3783       
236.2505 324.7890       197.8519 45.36968 12.15484 34.17582 11.57409 11.19386 
16.78391 
1 1 1 28  4   12 o 33.60611 8.362696  300.1787       159.7943 120.6135       
224.7897 483.6090       227.1961 26.56595 11.35400 40.64627 12.28110 -14.08031 
16.72539 
1 1 1 28  4   13 o 25.70929 7.345999  95.72984       141.0822 -138.0228      
216.9596 266.9893       185.7068 20.17403 9.552379 31.24455 11.16275 -11.07052 
14.69200 
1 1 1 28  4   14 f 22.11716 7.173873  -49.85338      155.4448 69.85097       
214.1723 -183.1035      225.9656 24.49969 10.77863 19.73464 9.469898 4.765059 
14.34775 
1 1 1 28  4   15 o 27.38717 8.114534  143.0512       162.3374 10.52633       
221.5690 296.6386       238.5273 23.08056 10.48754 31.69378 12.38524 -8.613213 
16.22907 
1 1 1 28  4   16 o 30.60035 8.494087  274.6492       160.0392 242.7933       
243.1165 299.0097       212.5998 29.57907 12.16862 31.62163 11.85423 -2.042551 
16.98817 
1 1 1 28  4   17 o 21.89194 7.211759  -68.37887      168.3954 78.66626       
228.5393 -243.0418      249.0783 24.38402 10.89249 19.39986 9.454707 4.984152 
14.42352 
1 1 1 28  4   18 o 24.59172 7.843370  93.28566       170.8981 89.39587       
231.9007 97.90908       252.8255 24.27279 10.90409 24.91065 11.27717 
-0.6378574     15.68674 
1 1 1 28  4   19 o 32.29366 12.74068  -134.9104      189.8919 -810.2635      
285.6402 399.9402       254.1968 ?        ?        32.29366 12.74068 ? ? 
1 1 1 28  4   20 o 35.00454 8.694148  421.0689       191.3080 874.6579       
287.1635 59.11299       256.5227 47.13444 13.69862 22.87463 10.70983 24.25981 
17.38830 
1 1 1 28  4   21 o 32.66690 13.27757  500.9482       285.9695 500.9482       
285.9695 0.000000       0.000000 32.66690 13.27757 ?        ?        ? ? 
1 1 1 28  5   0  o 21.51072 6.579586  20.55240       113.7127 95.69040       
144.6236 -101.1169      184.0348 23.47564 9.481543 19.54580 9.124918 3.929842 
13.15917 
1 1 1 28  5   1  o 23.83666 7.243022  53.94700       127.6877 22.58288       
163.6075 102.8194       204.2294 21.72270 9.489496 25.95061 10.94509 -4.227913 
14.48604 
1 1 1 28  5   2  o 49.84692 7.911311  668.1058       161.2494 577.2391       
243.6760 738.8935       215.0748 45.43190 12.42258 54.26194 9.799732 -8.830044 
15.82262 
1 1 1 28  5   3  o 49.03227 7.444562  617.3568       148.4617 674.2294       
217.7099 567.9212       202.9768 51.24310 10.48140 46.82145 10.57480 4.421650 
14.88912 
1 1 1 28  5   4  o 25.15386 7.307526  10.25059       141.0008 268.2238       
207.2305 -212.1301      192.4043 32.28783 11.76627 18.01988 8.669177 14.26795 
14.61505 
1 1 1 28  5   5  o 28.15946 7.515268  101.5351       141.7312 366.4341       
208.4471 -126.2329      193.2867 36.68300 11.87680 19.63592 9.211875 17.04708 
15.03054 
1 1 1 28  5   6  f 25.06150 7.670928  5.291245       149.9131 212.5581       
242.1017 -123.6019      190.9184 30.57326 12.30083 19.54976 9.168535 11.02350 
15.34186 
1 1 1 28  5   7  o 21.29846 6.997304  -103.2627      148.1807 -30.09172      
231.7994 -153.8286      192.6956 23.54781 10.70706 19.04911 9.011546 4.498701 
13.99461 
1 1 1 28  5   8  o 42.60664 8.867186  485.0523       168.9002 693.0496       
272.6765 355.5692       215.1422 49.27323 12.99390 35.94006 12.06923 13.33317 
17.73437 
1 1 1 28  5   9  f 35.14344 8.379980  330.0775       146.1069 410.5525       
223.6214 270.1349       192.9972 38.17359 12.29574 32.11329 11.38908 6.060303 
16.75996 
1 1 1 28  5   10 o 26.49286 7.556812  69.16759       139.6084 304.4359       
217.4857 -95.72167      182.0729 33.46445 12.06773 19.52125 9.098985 13.94320 
15.11362 
1 1 1 28  5   11 o 24.11871 7.449862  42.06192       146.3206 -46.25182      
216.7071 116.0582       198.3645 22.28211 10.20235 25.95532 10.85882 -3.673212 
14.89972 
1 1 1 28  5   12 o 24.82410 7.545851  77.84424       140.2556 121.4727       
215.8504 45.96267       184.5175 26.50524 11.21913 23.14296 10.09408 3.362278 
15.09170 
1 1 1 28  5   13 o 52.03543 8.358217  758.7285       178.7623 695.1556       
251.7871 823.3431       253.8414 49.24539 12.22071 54.82548 11.40585 -5.580090 
16.71643 
1 1 1 28  5   14 o 26.18905 7.827023  127.3206       147.8014 126.4951       
219.1945 128.0089       200.1472 26.40756 11.24667 25.97055 10.88860 0.4370098 
15.65405 
1 1 1 28  5   15 o 27.17384 7.845111  85.52229       160.1892 -158.7504      
219.8198 362.1392       233.9207 19.82587 9.471668 34.52181 12.50882 -14.69594 
15.69022 
1 1 1 28  5   16 o 39.41616 9.078486  498.5454       180.2060 636.5391       
253.0974 356.6628       256.6391 45.22321 12.77057 33.60911 12.90690 11.61411 
18.15697 
1 1 1 28  5   17 o 26.45054 7.803193  84.61287       156.1585 351.1440       
237.5695 -118.1553      207.2128 33.24529 12.51758 19.65580 9.320379 13.58948 
15.60639 
1 1 1 28  5   18 o 20.29310 6.904146  -185.0279      173.8581 -314.8471      
239.6966 -40.91063      252.5518 18.08157 8.905620 22.50463 10.55267 -4.423061 
13.80829 
1 1 1 28  5   19 o 26.38145 8.277050  161.8107       185.2846 92.94684       
268.3669 224.5355       256.1255 24.94781 11.39390 27.81510 12.00905 -2.867289 
16.55410 
1 1 1 28  5   20 o 21.72555 7.217814  -23.60737      158.4837 135.4054       
268.1134 -109.0069      196.4853 24.97847 11.39983 18.47263 8.856138 6.505840 
14.43563 
1 1 1 28  5   21 o 18.71288 6.398699  -122.2615      153.1282 -365.5087      
288.0943 -26.48136      180.7793 18.34154 9.151982 19.08422 8.945088 
-0.7426777     12.79740 
1 1 1 28  6   0  o 20.73831 6.393683  0.8376449      108.7789 -90.74522      
158.0481 83.26995       149.9447 18.26283 8.498888 23.21379 9.554351 -4.950958 
12.78737 
1 1 1 28  6   1  o 21.71351 6.612817  -24.90353      123.4069 143.9415       
164.8535 -240.1292      186.1234 26.27486 10.29050 17.15216 8.308010 9.122702 
13.22563 
1 1 1 28  6   2  o 22.25644 6.919050  10.82867       123.9376 -27.15798      
163.7390 61.78914       189.6503 20.30419 9.139681 24.20868 10.39034 -3.904497 
13.83810 
1 1 1 28  6   3  o 24.70382 7.424578  67.39091       137.6436 -11.70889      
203.1878 134.4740       187.1184 22.77070 10.21856 26.63693 10.77397 -3.866224 
14.84916 
1 1 1 28  6   4  o 19.02290 6.384251  -166.4348      138.0665 -218.9392      
202.5961 -120.9058      188.6590 18.52495 8.908168 19.52086 9.147633 
-0.9959106     12.76850 
1 1 1 28  6   5  o 31.86991 8.258089  256.2179       144.3795 256.2228       
213.0662 256.2138       196.3263 31.92757 11.88732 31.81224 11.46629 0.1153297 
16.51618 
1 1 1 28  6   6  o 29.73225 8.152543  179.4503       146.9443 315.1436       
229.6572 85.38949       191.2076 34.37121 12.40021 25.09330 10.58729 9.277916 
16.30509 
1 1 1 28  6   7  o 28.57301 7.848383  137.9411       130.6363 323.0989       
230.9471 50.82190       158.4158 34.64799 12.44143 22.49802 9.570755 12.14997 
15.69677 
1 1 1 28  6   8  o 25.91792 7.588662  94.47146       124.9233 196.0434       
229.0513 51.46625       149.0412 29.79661 11.97451 22.03923 9.325361 7.757383 
15.17732 
1 1 1 28  6   9  o 36.22561 7.347338  368.3223       128.5124 174.7200       
218.1271 471.2524       159.0471 28.75979 11.63253 43.69143 8.978734 -14.93164 
14.69468 
1 1 1 28  6   10 o 28.00816 7.192015  57.66041       124.3668 421.3334       
213.0796 -130.2405      153.1619 38.95935 11.91799 17.05698 8.053680 21.90236 
14.38403 
1 1 1 28  6   11 o 20.82568 6.863725  -118.5606      149.1885 -9.254088      
211.4050 -227.0015      210.5663 22.98228 10.36295 18.66908 9.002891 4.313190 
13.72745 
1 1 1 28  6   12 o 24.70807 7.453690  -4.766969      155.4939 240.3317       
215.7793 -269.5323      224.2694 30.71774 11.82572 18.69840 9.076475 12.01934 
14.90738 
1 1 1 28  6   13 o 27.95653 8.145690  147.7185       160.6050 266.1370       
227.2641 29.57952       226.9957 31.57859 12.14067 24.33447 10.86339 7.244125 
16.29138 
1 1 1 28  6   14 o 51.89633 7.736680  679.2036       156.3384 564.7736       
190.5530 914.8530       273.4506 46.36419 10.07137 57.42847 11.74701 -11.06429 
15.47336 
1 1 1 28  6   15 o 24.73046 7.714816  44.14285       157.4810 -48.31618      
209.5995 163.9970       238.6394 21.56297 9.939162 27.89794 11.80197 -6.334972 
15.42963 
1 1 1 28  6   16 o 22.81511 7.459860  -36.57914      168.8380 -12.69868      
233.3089 -62.83552      244.6400 23.11143 10.58368 22.51878 10.51588 0.5926552 
14.91972 
1 1 1 28  6   17 o 26.33563 7.997732  69.71347       170.0989 -141.4121      
231.2995 318.3775       251.0213 20.43678 9.752135 32.23449 12.67875 -11.79771 
15.99546 
1 1 1 28  6   18 o 25.88196 8.129297  75.60693       188.6528 -146.2152      
283.2849 252.3768       252.8862 22.08855 10.60035 29.67537 12.32779 -7.586819 
16.25859 
1 1 1 28  6   19 o 27.79818 8.184181  152.5365       157.5820 414.8291       
265.2176 9.413577       195.9133 34.09021 13.11342 21.50614 9.795992 12.58407 
16.36836 
1 1 1 28  6   20 o 20.70409 6.980668  -109.5069      174.5144 -305.8210      
277.5800 18.80623       224.4130 19.22104 9.480628 22.18715 10.24874 -2.966112 
13.96134 
1 1 1 28  6   21 o 27.07094 8.330696  219.8814       175.0276 385.8589       
275.5917 107.6770       226.5929 30.61347 12.80288 23.52841 10.66247 7.085062 
16.66139 
1 1 1 28  6   22 o 17.80312 6.268389  -331.4057      174.5536 -99.53781      
270.0234 -497.8564      228.7830 20.54305 9.967978 15.06318 7.603303 5.479867 
12.53678 
1 1 1 28  7   0  o 25.35648 7.496472  102.4063       128.9816 108.0957       
158.2634 91.15314       222.5783 24.53605 9.914969 26.17692 11.24641 -1.640879 
14.99294 
1 1 1 28  7   1  o 28.84953 7.454793  193.2254       114.9145 165.4632       
145.5681 239.1393       187.2023 26.84214 9.853727 30.85691 11.18927 -4.014774 
14.90959 
1 1 1 28  7   2  o 34.42596 7.395729  318.1438       126.7302 158.6670       
201.1627 423.0889       163.1849 27.90164 11.21817 40.95028 9.640532 -13.04865 
14.79146 
1 1 1 28  7   3  o 21.00732 6.818577  -66.05283      136.8737 -96.86913      
202.1893 -39.98386      185.9644 20.78285 9.648882 21.23179 9.636964 
-0.4489422     13.63715 
1 1 1 28  7   4  f 39.92145 8.088791  425.3008       144.4150 508.1306       
206.5195 346.0394       202.0220 43.87688 11.17725 35.96602 11.69543 7.910858 
16.17758 
1 1 1 28  7   5  o 43.95616 8.158509  497.9562       153.0940 672.3846       
238.9587 376.5128       199.3891 50.40717 11.53561 37.50516 11.54013 12.90201 
16.31702 
1 1 1 28  7   6  o 25.00681 7.559184  21.09622       145.7348 204.0767       
222.9161 -115.4889      192.5931 30.12786 11.91684 19.88576 9.303435 10.24210 
15.11837 
1 1 1 28  7   7  o 32.41428 7.998755  166.9576       148.0300 531.3956       
248.2396 -34.14759      184.4042 43.51227 12.76563 21.31630 9.641522 22.19597 
15.99751 
1 1 1 28  7   8  o 34.42208 8.246576  304.6388       141.5871 390.0372       
217.6559 241.9915       186.4218 37.73535 12.12822 31.10881 11.17722 6.626535 
16.49315 
1 1 1 28  7   9  o 28.97474 7.872307  191.3434       137.4200 124.6572       
209.7992 241.4527       181.8634 26.96358 11.21662 30.98590 11.04900 -4.022312 
15.74461 
1 1 1 28  7   10 o 20.94173 6.875492  -92.65822      144.5000 -74.31067      
213.7362 -108.1040      196.1076 21.75277 10.03049 20.13070 9.406316 1.622065 
13.75098 
1 1 1 28  7   11 o 25.42921 7.737456  38.66925       157.8272 -121.8386      
222.1928 202.1246       224.2237 21.12794 9.905502 29.73049 11.88924 -8.602558 
15.47491 
1 1 1 28  7   12 o 31.94273 8.185343  269.7359       143.0727 218.0712       
216.9408 309.5036       190.3312 30.03630 11.79541 33.84916 11.35199 -3.812855 
16.37069 
1 1 1 28  7   13 o 28.90759 8.172944  158.2287       158.9664 6.967418       
217.5667 331.4640       232.8341 23.51470 10.56267 34.30049 12.47470 -10.78579 
16.34589 
1 1 1 28  7   14 o 46.54440 8.575377  616.8597       169.1998 591.4618       
234.5865 644.3994       244.2769 45.56073 12.06939 47.52807 12.18516 -1.967346 
17.15075 
1 1 1 28  7   15 o 24.34952 7.889638  -8.892599      182.2150 -69.11293      
279.0839 35.85244       240.5668 23.95188 11.20323 24.74716 11.11185 
-0.7952824     15.77928 
1 1 1 28  7   16 f 26.82435 8.319663  39.92202       191.0444 307.9622       
281.1269 -190.0782      260.4154 32.48320 13.17819 21.16550 10.15886 11.31769 
16.63933 
1 1 1 28  7   17 o 29.25026 8.397432  173.7121       187.5918 -153.3882      
290.6698 407.2066       245.5828 22.63567 10.83257 35.86486 12.83444 -13.22919 
16.79486 
1 1 1 28  7   18 o 26.76533 8.142177  116.1432       179.7029 -119.1338      
276.7389 287.6858       236.3014 22.43337 10.69590 31.09728 12.27917 -8.663916 
16.28435 
1 1 1 28  7   19 o 31.61694 8.672249  313.2076       181.6110 102.4931       
288.0556 452.2241       233.9710 26.24429 11.93385 36.98959 12.58630 -10.74530 
17.34450 
1 1 1 28  7   20 o 33.02857 9.007500  347.9619       178.1479 582.2611       
286.2051 199.7681       227.6182 38.92177 13.86262 27.13537 11.50513 11.78641 
18.01500 
1 1 1 28  7   21 o 26.74712 8.182500  212.4591       173.1985 123.2933       
274.2405 271.6221       223.3870 24.99597 11.45834 28.49828 11.68416 -3.502302 
16.36500 
1 1 1 28  7   22 o 30.16291 8.403180  333.5137       181.7818 57.06333       
273.6438 551.8694       243.1976 23.08795 10.86120 37.23787 12.82529 -14.14991 
16.80636 
1 1 1 28  7   23 o 20.92820 10.11352  -65.43652      269.7687 -65.43652      
269.7687 0.000000       0.000000 20.92820 10.11352 ?        ?        ? ? 
1 1 1 28  8   0  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 28  8   1  o 38.75111 8.073744  404.0374       145.5327 284.8891       
204.0591 527.3750       207.6156 32.93863 11.70799 44.56360 11.12045 -11.62498 
16.14749 
1 1 1 28  8   2  o 25.84261 7.520695  100.3014       136.6869 2.376494       
198.6558 188.3422       188.3636 22.92846 10.20117 28.75676 11.05349 -5.828306 
15.04139 
1 1 1 28  8   3  o 28.97533 7.639750  162.5808       140.1555 -27.94608      
203.2307 335.3775       193.5437 22.41364 10.13065 35.53702 11.43823 -13.12337 
15.27950 
1 1 1 28  8   4  o 26.73470 7.720626  121.3717       140.9986 35.51017       
209.6661 192.2616       190.5116 24.39986 10.70003 29.06953 11.13291 -4.669676 
15.44125 
1 1 1 28  8   5  o 29.70897 8.057652  169.2409       147.4359 338.0559       
223.5733 39.33321       196.1246 35.47702 12.28940 23.94092 10.42467 11.53610 
16.11530 
1 1 1 28  8   6  o 39.72327 8.634491  422.9898       157.0035 509.0466       
240.8258 359.3765       207.0544 42.83918 12.57529 36.60736 11.83554 6.231819 
17.26898 
1 1 1 28  8   7  o 33.78103 8.046584  244.4050       141.7646 498.3080       
232.2589 93.64612       178.9698 42.57410 12.30236 24.98796 10.37507 17.58615 
16.09317 
1 1 1 28  8   8  o 24.28640 7.411656  50.24426       136.3696 89.61092       
209.4440 21.27377       179.6725 25.93939 11.01885 22.63341 9.915415 3.305977 
14.82331 
1 1 1 28  8   9  o 18.82191 6.325632  -187.0558      135.1001 -79.28203      
204.4842 -270.5424      179.9748 21.27711 9.811099 16.36670 7.987290 4.910410 
12.65126 
1 1 1 28  8   10 o 33.67880 8.664323  300.4425       158.8548 295.5096       
225.3953 305.3112       223.9211 33.47956 12.26421 33.87804 12.24219 
-0.3984871     17.32865 
1 1 1 28  8   11 o 36.78738 8.686810  373.3490       158.0543 321.8520       
217.0203 431.5158       230.6467 34.44888 12.09114 39.12587 12.47586 -4.676994 
17.37362 
1 1 1 28  8   12 o 21.68844 7.125562  -89.04228      156.0892 -71.54363      
213.6612 -109.0700      228.5802 21.72297 10.02131 21.65391 10.13251 
0.6905937E-01  14.25112 
1 1 1 28  8   13 f 28.82944 7.823702  127.6002       158.8361 384.8722       
218.3486 -161.5533      231.4827 36.89200 12.15884 20.76687 9.849055 16.12513 
15.64740 
1 1 1 28  8   14 o 45.08828 8.388518  574.7773       184.5628 238.9121       
256.7371 933.9778       265.5061 30.98631 12.58529 59.19024 11.09412 -28.20394 
16.77704 
1 1 1 28  8   15 o 34.04068 8.965373  328.1863       186.6693 125.7341       
284.7632 480.7345       247.1872 28.19822 12.41710 39.88314 12.93550 -11.68493 
17.93075 
1 1 1 28  8   16 o 29.86292 8.779142  145.5806       189.1848 438.4393       
297.6109 -53.00614      245.0726 36.76329 13.96246 22.96254 10.64627 13.80076 
17.55828 
1 1 1 28  8   17 o 21.37649 7.165540  -106.8011      163.2294 -156.2319      
284.5690 -82.56245      199.2707 22.50019 10.75586 20.25279 9.470554 2.247402 
14.33108 
1 1 1 28  8   18 o 30.50728 8.691513  245.8895       169.4772 374.2850       
268.2990 160.6446       218.6141 34.05935 13.17111 26.95521 11.34422 7.104136 
17.38303 
1 1 1 28  8   19 o 21.15160 6.977186  -150.6644      171.6775 -615.9391      
288.7773 103.6631       213.5035 17.43164 8.771455 24.87155 10.85293 -7.439913 
13.95437 
1 1 1 28  8   20 o 21.87941 7.265415  -50.56313      169.8170 -143.6565      
276.9010 5.557529       214.9941 21.61999 10.40087 22.13882 10.14727 
-0.5188332     14.53083 
1 1 1 28  8   21 o 19.71992 6.770790  -190.7966      170.4654 -54.22802      
264.9834 -287.2177      222.6534 22.09042 10.50557 17.34942 8.544438 4.740995 
13.54158 
1 1 1 28  8   22 o 27.73627 8.363153  249.5394       183.1628 63.55836       
270.4716 407.0751       248.9298 23.44783 10.98159 32.02471 12.61642 -8.576881 
16.72631 
1 1 1 28  8   23 f 27.80007 8.593614  299.3234       191.5613 367.3522       
273.2209 233.5497       268.6540 29.40491 12.54083 26.19522 11.75280 3.209690 
17.18723 
1 1 1 28  9   0  o 20.81917 6.725552  -40.75335      122.9885 -42.75470      
148.9188 -36.45974      218.1218 18.91936 8.597053 22.71898 10.34519 -3.799616 
13.45110 
1 1 1 28  9   1  o 36.58489 11.71931  364.3580       203.3502 0.000000       
0.000000 364.3580       203.3502 ?        ?        36.58489 11.71931 ? ? 
1 1 1 28  9   2  o 59.09961 8.789646  834.4701       218.0896 834.4701       
218.0896 0.000000       0.000000 59.09961 8.789646 ?        ?        ? ? 
1 1 1 28  9   3  o 49.54834 7.453780  629.6581       150.5775 554.9165       
210.8231 707.4918       215.1399 46.00996 11.03883 53.08672 10.01896 -7.076767 
14.90756 
1 1 1 28  9   4  o 45.28076 8.362783  548.0471       159.3453 583.1020       
245.5576 522.5490       209.4269 46.02758 12.41947 44.53394 11.20273 1.493637 
16.72557 
1 1 1 28  9   5  o 27.55860 7.309767  93.97990       143.4731 -232.1810      
219.1151 338.7711       189.8254 19.27418 9.267423 35.84302 11.30688 -16.56884 
14.61953 
1 1 1 28  9   6  o 25.30302 7.544573  83.82728       131.3958 112.1986       
224.0326 68.95053       162.2277 27.18592 11.46465 23.42012 9.810408 3.765802 
15.08915 
1 1 1 28  9   7  o 29.02075 7.834880  188.2122       137.4929 93.49747       
214.7414 254.0168       178.9926 26.29724 11.16364 31.74426 10.99611 -5.447014 
15.66976 
1 1 1 28  9   8  o 35.81446 8.111307  342.1082       139.2498 298.8057       
209.4966 376.3821       186.3816 33.79652 11.87803 37.83240 11.04924 -4.035873 
16.22261 
1 1 1 28  9   9  o 57.45619 6.757527  807.7498       157.9346 816.0164       
238.6676 801.3099       210.6531 56.77236 10.40091 58.14002 8.630056 -1.367664 
13.51505 
1 1 1 28  9   10 f 29.22160 8.194906  156.4641       156.0431 26.66622       
210.7597 313.9370       232.1435 24.13783 10.64988 34.30536 12.45817 -10.16753 
16.38981 
1 1 1 28  9   11 o 28.36328 8.064581  148.0143       152.4964 32.82958       
212.2062 271.0213       219.2934 24.29445 10.70690 32.43211 12.06284 -8.137651 
16.12916 
1 1 1 28  9   12 o 43.14351 7.809492  455.3752       143.7280 291.5430       
180.5143 739.1183       237.5608 33.24370 11.05536 53.04332 11.03321 -19.79962 
15.61898 
1 1 1 28  9   13 o 21.06075 6.889812  -75.45879      138.0793 -98.04802      
172.9838 -35.79180      229.2289 18.96084 8.849844 23.16065 10.56212 -4.199814 
13.77962 
1 1 1 28  9   14 o 25.67198 7.939542  72.78074       162.4283 83.78598       
223.9489 60.56580       235.9362 25.77874 11.18087 25.56521 11.27535 0.2135277 
15.87908 
1 1 1 28  9   15 o 26.60751 8.052817  95.97954       167.4356 216.1744       
227.7070 -45.50747      247.0539 29.79355 11.95340 23.42146 10.79388 6.372089 
16.10563 
1 1 1 28  9   16 o 21.78355 7.256732  -116.5842      171.1774 -143.8859      
234.5450 -85.46793      250.3945 20.94291 9.923769 22.62419 10.59053 -1.681282 
14.51346 
1 1 1 28  9   17 o 29.46434 8.713456  201.7479       177.2738 281.3837       
280.5145 148.7960       228.7400 31.74042 13.06667 27.18826 11.53080 4.552156 
17.42691 
1 1 1 28  9   18 o 27.53770 8.177734  161.7069       167.7752 18.36511       
266.5779 255.7263       215.8968 24.76736 11.32995 30.30804 11.79549 -5.540678 
16.35547 
1 1 1 28  9   19 o 26.44567 8.039578  91.41855       148.7961 322.3071       
274.9817 -4.176982      176.9381 32.09459 13.02836 20.79675 9.423431 11.29784 
16.07916 
1 1 1 28  9   20 o 27.44235 8.223592  165.7641       150.8143 301.4293       
279.9990 110.3203       178.9982 30.88349 12.90961 24.00122 10.19077 6.882267 
16.44718 
1 1 1 28  9   21 o 23.40249 7.513951  56.61067       149.8208 98.44450       
274.0374 38.77573       178.9295 25.32575 11.54918 21.47923 9.615311 3.846516 
15.02790 
1 1 1 28  9   22 o 29.84566 8.916842  332.5331       191.8602 365.5579       
280.6267 303.5482       262.9023 30.59766 12.86386 29.09365 12.35157 1.504005 
17.83368 
1 1 1 28  9   23 o 31.95673 9.178794  438.1977       202.3014 615.3260       
287.0814 263.4773       285.1235 36.85053 13.78286 27.06294 12.12574 9.787592 
18.35759 
1 1 1 28  10  0  o 31.43908 8.022200  212.1199       124.7953 142.9334       
146.3054 396.8965       239.0963 25.63840 9.774340 37.23976 12.72341 -11.60135 
16.04440 
1 1 1 28  10  1  o 27.34062 7.711042  155.2923       133.1315 151.6569       
191.4035 158.6994       185.2976 27.28322 10.95380 27.39801 10.85610 
-0.1147919     15.42208 
1 1 1 28  10  2  o 21.80351 6.770684  -58.60810      133.8756 -292.0328      
198.7824 135.1508       181.1070 17.15162 8.374660 26.45541 10.64113 -9.303793 
13.54137 
1 1 1 28  10  3  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 28  10  4  o 40.29623 8.294098  435.7011       150.2091 519.0374       
217.4053 359.5827       207.7772 44.03410 11.59797 36.55835 11.85982 7.475754 
16.58820 
1 1 1 28  10  5  o 26.14210 7.610110  51.68930       143.8393 261.7386       
218.5934 -108.7143      191.0220 32.31451 12.03870 19.96969 9.312613 12.34482 
15.22022 
1 1 1 28  10  6  o 44.57260 7.971993  516.2243       148.6080 594.2738       
226.5283 457.2564       196.8997 47.39604 11.48760 41.74916 11.05648 5.646877 
15.94399 
1 1 1 28  10  7  o 22.96647 6.977558  42.37586       121.5606 71.02446       
166.7157 9.854082       177.6282 23.69534 9.936319 22.23760 9.798714 1.457743 
13.95512 
1 1 1 28  10  8  o 25.58934 7.443511  96.01212       134.1381 -9.263295      
203.0938 177.4698       178.6485 22.92977 10.25487 28.24891 10.79171 -5.319138 
14.88702 
1 1 1 28  10  9  o 23.30628 7.160067  36.95453       126.9854 50.34641       
206.2011 28.77271       161.1741 24.66512 10.71373 21.94744 9.501700 2.717682 
14.32013 
1 1 1 28  10  10 o 30.54746 8.289321  219.6464       151.1945 270.2738       
209.8725 165.0210       218.0017 32.49879 11.84124 28.59614 11.60329 3.902651 
16.57864 
1 1 1 28  10  11 o 24.75793 7.684506  38.15430       154.8104 88.07609       
213.4409 -17.26007      224.8764 25.92807 11.07197 23.58779 10.65918 2.340279 
15.36901 
1 1 1 28  10  12 o 30.18526 8.385794  213.9318       156.1010 235.7626       
216.5597 190.3212       225.2149 30.93369 11.86301 29.43682 11.85560 1.496868 
16.77159 
1 1 1 28  10  13 o 28.32490 8.197467  125.7112       166.4989 -50.54594      
234.9486 303.5267       235.9849 23.12680 10.60329 33.52301 12.50456 -10.39621 
16.39493 
1 1 1 28  10  14 o 34.26571 9.252725  330.0101       185.2222 308.6029       
276.5252 347.4305       249.4498 33.57701 13.27533 34.95440 12.89253 -1.377388 
18.50545 
1 1 1 28  10  15 o 26.24971 8.280296  55.09813       183.5183 112.1658       
278.0766 11.06417       244.2662 27.93006 12.28487 24.56937 11.10564 3.360697 
16.56059 
1 1 1 28  10  16 o 24.97364 8.007379  18.62822       178.2086 45.54261       
278.6319 -0.3075062E-02 231.8249 26.23630 11.86003 23.71099 10.76161 2.525301 
16.01476 
1 1 1 28  10  17 o 28.35482 8.309985  119.2331       168.0165 371.7276       
265.6324 -49.14953      216.9220 34.82186 13.20098 21.88778 10.09740 12.93408 
16.61997 
1 1 1 28  10  18 o 19.68425 6.739233  -219.6304      166.2691 -225.1033      
267.7319 -216.1946      212.1352 20.85620 10.07813 18.51229 8.949878 2.343918 
13.47847 
1 1 1 28  10  19 o 25.30793 7.971957  81.19806       171.7729 8.080555       
277.1610 126.7972       218.8768 24.70748 11.40407 25.90837 11.14251 -1.200897 
15.94391 
1 1 1 28  10  20 o 31.88572 7.939466  211.0961       163.3880 600.5086       
243.7349 -106.7048      220.1864 43.40360 12.62228 20.36784 9.634236 23.03576 
15.87893 
1 1 1 28  10  21 o 23.86667 7.803243  15.53931       184.5289 115.4738       
272.5320 -69.06106      250.7529 25.88904 11.71487 21.84431 10.31137 4.044725 
15.60649 
1 1 1 28  10  22 o 34.40020 9.584897  478.7797       203.2079 469.3261       
278.8583 489.4840       296.7324 34.34836 13.39782 34.45205 13.71056 
-0.1036873     19.16979 
1 1 1 28  10  23 o 29.44332 8.861156  323.0685       201.7099 132.6808       
284.1582 516.4406       286.3766 24.78214 11.47991 34.10451 13.50156 -9.322369 
17.72231 
1 1 1 28  10  24 o 19.14764 9.513330  -288.4363      295.2212 -288.4363      
295.2212 0.000000       0.000000 19.14764 9.513330 ?        ?        ? ? 
1 1 1 28  11  0  o 20.32572 6.613748  -71.83078      119.9708 -113.7598      
144.6765 20.46892       214.6549 16.80213 7.902201 23.84931 10.60763 -7.047180 
13.22750 
1 1 1 28  11  1  o 25.81410 7.448934  94.60878       134.1092 224.4662       
193.5212 -25.37578      186.0192 30.16251 11.30932 21.46569 9.697715 8.696819 
14.89787 
1 1 1 28  11  2  o 39.36779 8.153158  419.6487       143.3138 442.3930       
207.0948 398.7469       198.5290 40.32929 11.60485 38.40629 11.45528 1.922997 
16.30632 
1 1 1 28  11  3  o 27.64294 7.912995  148.2284       141.6602 180.8563       
213.9731 122.7680       189.0158 29.01336 11.60936 26.27252 10.75569 2.740837 
15.82599 
1 1 1 28  11  4  o 27.40654 11.24494  137.7596       207.0619 0.000000       
0.000000 137.7596       207.0619 ?        ?        27.40654 11.24494 ? ? 
1 1 1 28  11  5  o 26.00044 11.07018  87.69263       212.2632 87.69263       
212.2632 0.000000       0.000000 26.00044 11.07018 ?        ?        ? ? 
1 1 1 28  11  6  o 34.26921 8.675728  288.1439       160.1228 182.0130       
209.8641 436.0019       247.7078 29.11529 11.54805 39.42315 12.95051 -10.30786 
17.35146 
1 1 1 28  11  7  o 28.45419 7.926392  171.5716       138.0662 179.8277       
210.8828 165.3778       182.6555 29.06769 11.56127 27.84068 10.84655 1.227016 
15.85278 
1 1 1 28  11  8  o 36.30993 8.072377  351.3934       137.8908 316.5202       
208.4530 378.5255       183.8669 34.61356 11.87846 38.00631 10.93413 -3.392750 
16.14475 
1 1 1 28  11  9  o 44.10018 8.196687  525.7628       157.9184 653.9113       
221.1555 392.4466       225.5706 50.37512 10.77105 37.82523 12.35828 12.54989 
16.39337 
1 1 1 28  11  10 o 26.86145 7.653986  29.50535       153.6788 -223.8139      
209.0456 327.4055       226.6951 18.81818 9.049097 34.90471 12.34698 -16.08653 
15.30797 
1 1 1 28  11  11 o 26.36334 7.895948  101.2472       151.1865 99.17165       
208.1843 103.5633       219.9180 26.10402 11.03215 26.62267 11.29937 
-0.5186443     15.79190 
1 1 1 28  11  12 o 26.84932 7.900565  65.06355       157.8719 -113.9605      
214.0981 278.4048       233.7192 20.94699 9.803193 32.75165 12.39246 -11.80466 
15.80113 
1 1 1 28  11  13 o 34.68476 8.567176  302.0702       181.4621 -0.9047838     
271.9228 545.3196       243.6509 25.59773 11.62784 43.77180 12.58489 -18.17406 
17.13435 
1 1 1 28  11  14 o 53.24274 8.285830  790.1755       179.4745 670.6309       
290.8815 863.6601       228.0601 47.05407 13.82307 59.43141 9.140171 -12.37734 
16.57166 
1 1 1 28  11  15 o 31.68924 9.069285  255.5054       186.7687 274.7905       
279.8275 240.0127       250.8102 32.36145 13.14065 31.01703 12.50324 1.344423 
18.13857 
1 1 1 28  11  16 o 24.27031 7.564785  36.78041       152.4659 121.5685       
220.4440 -40.97092      211.0983 26.54491 11.29112 21.99571 10.07048 4.549202 
15.12957 
1 1 1 28  11  17 o 28.16663 7.984908  148.4890       165.6043 -124.8910      
259.9655 335.1896       214.8351 22.28037 10.51188 34.05289 12.02229 -11.77251 
15.96982 
1 1 1 28  11  18 o 33.13905 8.896466  328.1756       171.3330 293.7664       
274.9765 350.0118       219.0521 31.96605 13.01075 34.31205 12.13708 -2.346008 
17.79293 
1 1 1 28  11  19 o 23.48627 7.581876  6.961506       166.7195 -69.22810      
270.4625 53.65400       211.7302 23.18758 10.88146 23.78496 10.56093 
-0.5973778     15.16375 
1 1 1 28  11  20 o 22.87969 7.580040  -54.71481      184.0826 -99.31599      
266.3546 -13.93128      254.7003 22.32348 10.57671 23.43590 10.86100 -1.112421 
15.16008 
1 1 1 28  11  21 o 30.29730 8.892483  266.6166       195.0644 434.3752       
276.0787 99.38213       275.6471 34.79480 13.38032 25.79980 11.71631 8.995005 
17.78497 
1 1 1 28  11  22 o 23.86004 7.698063  67.96897       171.2796 103.5658       
218.6500 11.43233       275.5552 24.17012 10.73201 23.54996 11.03923 0.6201572 
15.39613 
1 1 1 28  11  23 o 27.39385 8.293299  246.6569       175.7866 144.0696       
280.2705 313.1837       225.6986 25.21492 11.56914 29.57278 11.88572 -4.357859 
16.58660 
1 1 1 28  11  24 o 30.07552 9.112967  376.4840       207.3819 586.8557       
315.4796 216.4081       275.1951 34.23907 13.93602 25.91197 11.74615 8.327103 
18.22593 
1 1 1 28  12  0  o 25.58184 7.626289  104.9620       126.1277 101.8473       
145.4040 114.4284       253.4921 23.66991 9.528926 27.49377 11.90969 -3.823853 
15.25258 
1 1 1 28  12  1  o 29.64783 8.052791  212.8845       141.1737 176.5120       
224.4320 236.6990       181.6011 28.77676 11.74035 30.51890 11.02515 -1.742138 
16.10558 
1 1 1 28  12  2  o 23.37519 7.243243  30.15548       135.2243 62.73787       
203.8408 4.547208       180.7132 24.71528 10.69260 22.03509 9.773773 2.680199 
14.48649 
1 1 1 28  12  3  o 33.93087 8.118929  285.8680       144.8709 448.3686       
215.1660 151.1129       195.9381 40.42173 11.89313 27.44002 11.05538 12.98170 
16.23786 
1 1 1 28  12  4  o 24.85309 7.625450  54.42556       148.4202 16.90299       
217.1222 87.33892       203.3499 24.12892 10.70651 25.57727 10.86097 -1.448345 
15.25090 
1 1 1 28  12  5  o 31.01732 8.436340  213.1974       155.9765 331.8785       
239.5047 125.7916       205.5387 35.07606 12.66241 26.95859 11.15127 8.117474 
16.87268 
1 1 1 28  12  6  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 28  12  7  o 21.57979 7.300554  -221.6856      185.1652 -231.5410      
250.5397 -209.8227      274.8753 20.86395 10.00206 22.29564 10.63725 -1.431692 
14.60111 
1 1 1 28  12  8  o 38.35017 7.746590  395.7341       138.0462 256.0378       
207.0385 507.5511       185.2305 31.95365 11.74942 44.74669 10.09900 -12.79304 
15.49318 
1 1 1 28  12  9  o 24.59371 7.445686  6.138813       147.3058 -171.1718      
204.0956 198.9359       212.8219 19.45095 9.235897 29.73647 11.68123 -10.28551 
14.89137 
1 1 1 28  12  10 o 22.42424 7.216749  -45.60900      149.2851 -73.54551      
204.8406 -13.96293      218.0168 21.42577 9.855700 23.42272 10.54472 -1.996954 
14.43350 
1 1 1 28  12  11 o 26.25284 7.877571  96.27008       151.6544 134.3240       
210.5686 55.25790       218.6002 27.31713 11.29247 25.18855 10.98657 2.128586 
15.75514 
1 1 1 28  12  12 o 30.17009 8.656371  193.0866       171.8937 276.2631       
254.7042 123.5176       232.9399 32.81110 12.80315 27.52908 11.65377 5.282013 
17.31274 
1 1 1 28  12  13 o 35.45271 7.962131  260.2364       185.1648 -253.4525      
277.8283 670.7559       248.3667 21.56447 10.38492 49.34094 12.07209 -27.77646 
15.92426 
1 1 1 28  12  14 f 27.19386 8.264428  110.3275       170.4567 149.4400       
242.1594 71.91595       239.9798 28.28486 11.92335 26.10285 11.44713 2.182018 
16.52886 
1 1 1 28  12  15 o 31.97419 8.777191  243.5876       155.1433 374.2902       
293.0515 192.6905       182.8726 35.54062 13.76086 28.40777 10.89931 7.132849 
17.55438 
1 1 1 28  12  16 o 23.69623 7.612762  -42.40115      162.9478 127.2579       
258.0851 -154.8634      210.1250 27.69963 12.00824 19.69283 9.360493 8.006796 
15.22552 
1 1 1 28  12  17 o 23.56236 7.477007  27.91784       142.6800 33.52877       
261.1666 25.53071       170.3484 25.35846 11.47174 21.76625 9.592794 3.592209 
14.95401 
1 1 1 28  12  18 o 26.04838 7.985999  103.1215       165.6362 -11.61424      
264.5868 177.0645       212.4062 24.33792 11.19775 27.75883 11.38925 -3.420906 
15.97200 
1 1 1 28  12  19 o 25.49158 8.068680  74.05350       176.8302 55.66710       
267.7832 88.27057       235.4724 25.54002 11.58173 25.44315 11.23734 
0.9686470E-01  16.13736 
1 1 1 28  12  20 o 27.24866 8.324698  156.6749       171.3849 129.8214       
221.6749 196.5778       270.2208 25.94156 11.18586 28.55575 12.33203 -2.614189 
16.64940 
1 1 1 28  12  21 o 22.40882 7.496341  -117.5341      191.7700 -321.7963      
273.7779 79.22227       268.7008 19.44440 9.577746 25.37324 11.53461 -5.928837 
14.99268 
1 1 1 28  12  22 o 24.52914 7.973649  42.16344       192.4432 190.4995       
271.5572 -107.4876      272.7583 27.28401 12.05680 21.77426 10.43790 5.509748 
15.94730 
1 1 1 28  12  23 o 24.40439 8.002742  18.05958       201.9855 313.7451       
296.3848 -238.3589      276.0041 29.14316 12.75135 19.66562 9.673607 9.477537 
16.00548 
1 1 1 28  12  24 o 21.52666 7.233450  -28.85553      182.5577 89.89237       
243.0880 -182.4604      276.4732 23.17615 10.69073 19.87716 9.746769 3.298986 
14.46690 
1 1 1 28  13  0  o 22.45616 7.025139  10.59474       122.5121 -30.82578      
149.0889 96.72182       214.9846 19.13185 8.660546 25.78047 11.06369 -6.648621 
14.05028 
1 1 1 28  13  1  o 28.44720 7.566092  172.9507       136.9237 -7.419966      
206.3795 314.7707       183.0005 22.75449 10.25080 34.13992 11.13123 -11.38543 
15.13218 
1 1 1 28  13  2  o 27.37225 7.840226  149.6071       143.7758 44.49944       
236.0947 211.5626       181.2628 25.33434 11.21262 29.41015 10.96147 -4.075811 
15.68045 
1 1 1 28  13  3  o 26.18172 7.408167  43.72516       141.8760 307.1871       
209.1653 -180.7825      193.0840 33.80915 11.86995 18.55429 8.867243 15.25485 
14.81633 
1 1 1 28  13  4  o 32.06838 8.370754  254.4835       149.1651 338.2967       
226.8875 190.6789       197.9614 35.16551 12.36100 28.97125 11.29087 6.194262 
16.74151 
1 1 1 28  13  5  o 27.05805 8.132348  105.0082       159.1304 151.4308       
248.2400 72.62493       207.3327 28.85567 12.11362 25.26043 10.85360 3.595243 
16.26470 
1 1 1 28  13  6  o 36.47571 9.415483  370.3542       187.5245 346.4037       
258.3299 397.0332       272.6483 35.55983 13.11916 37.39159 13.50899 -1.831757 
18.83097 
1 1 1 28  13  7  o 26.26905 8.262037  26.68382       184.6684 -43.95413      
254.6951 104.9791       268.1448 24.33082 11.10702 28.20729 12.23434 -3.876474 
16.52407 
1 1 1 28  13  8  o 27.47987 11.73132  109.2444       239.5004 109.2444       
239.5004 0.000000       0.000000 27.47987 11.73132 ?        ?        ? ? 
1 1 1 28  13  9  o 35.47450 8.990980  300.3257       167.2746 182.8023       
207.5340 518.2509       282.6056 28.99856 11.48943 41.95044 13.83271 -12.95187 
17.98196 
1 1 1 28  13  10 o 20.40698 6.813161  -148.8331      151.1328 -178.0732      
205.7617 -114.5773      222.7114 19.37881 9.235565 21.43516 10.01903 -2.056349 
13.62632 
1 1 1 28  13  11 o 34.71397 8.437501  307.5964       161.6739 129.3657       
229.2060 484.0817       228.0809 27.65779 11.62670 41.77016 12.23052 -14.11237 
16.87500 
1 1 1 28  13  12 o 27.06724 8.307418  91.13588       175.6118 56.42397       
262.9725 119.0753       235.9281 26.67112 11.81521 27.46335 11.68134 
-0.7922344     16.61484 
1 1 1 28  13  13 o 36.94096 9.362885  394.6319       188.8907 295.0099       
278.6620 479.3173       256.9238 33.43680 13.29281 40.44512 13.18922 -7.008320 
18.72577 
1 1 1 28  13  14 o 33.81194 9.243864  308.9030       184.7315 363.8721       
286.6390 269.8519       241.5972 35.46452 13.63467 32.15936 12.48567 3.305161 
18.48773 
1 1 1 28  13  15 o 25.08621 7.776663  49.96764       162.1135 -101.1435      
261.0710 144.7999       206.8181 23.03614 10.78883 27.13628 11.20300 -4.100136 
15.55333 
1 1 1 28  13  16 o 22.01356 7.267430  -121.2057      162.1251 42.49952       
256.9904 -229.4292      208.9520 25.62580 11.49615 18.40133 8.893860 7.224472 
14.53486 
1 1 1 28  13  17 o 24.83607 7.800547  48.74542       164.8094 -51.78137      
263.6708 113.2051       211.1375 23.76043 11.02643 25.91171 11.03684 -2.151285 
15.60109 
1 1 1 28  13  18 o 22.32993 7.204695  -36.88105      152.1982 72.33736       
218.9842 -138.9378      211.6829 24.80875 10.90690 19.85110 9.416479 4.957647 
14.40939 
1 1 1 28  13  19 o 25.21319 7.999652  17.18004       171.9369 226.0895       
282.7037 -105.4561      216.6016 29.88371 12.75117 20.54267 9.663609 9.341042 
15.99930 
1 1 1 28  13  20 o 23.86114 7.827975  -15.42517      187.7733 -23.98075      
265.1080 -6.812091      265.9973 23.68669 11.01689 24.03560 11.12370 
-0.3489151     15.65595 
1 1 1 28  13  21 o 33.84465 9.454104  396.2838       199.2222 356.6760       
278.6252 437.7152       284.9674 32.61140 13.16494 35.07789 13.57220 -2.466484 
18.90821 
1 1 1 28  13  22 f 21.19009 7.126159  -96.38406      174.6709 -26.23895      
231.1298 -189.7939      266.7188 21.87424 10.21741 20.50593 9.936452 1.368307 
14.25232 
1 1 1 28  13  23 o 25.42416 8.110687  45.00218       182.9889 412.0848       
300.5334 -171.2668      230.6789 31.82812 13.34351 19.02020 9.224091 12.80791 
16.22137 
1 1 1 28  13  24 o 23.20460 7.744500  44.29522       199.6004 -50.72520      
292.4898 127.1139       273.0653 21.96728 10.59764 24.44192 11.29598 -2.474642 
15.48900 
1 1 1 28  13  25 o 17.56019 8.718740  -291.8654      245.8704 -291.8654      
245.8704 0.000000       0.000000 17.56019 8.718740 ?        ?        ? ? 
1 1 1 28  14  0  o 23.29658 7.052989  62.30377       125.5862 118.6493       
157.6257 -35.63346      207.8122 24.62276 9.917675 21.97039 10.03087 2.652374 
14.10598 
1 1 1 28  14  1  o 29.98781 7.873637  211.4533       134.0408 331.3276       
206.3348 123.9267       176.3109 34.46743 11.81896 25.50819 10.40619 8.959238 
15.74727 
1 1 1 28  14  2  o 25.52153 7.452164  52.07524       144.7960 258.9440       
205.0368 -153.7299      204.5090 31.48784 11.67360 19.55522 9.266390 11.93263 
14.90433 
1 1 1 28  14  3  o 29.56107 8.182357  202.5069       147.0627 248.2277       
221.0172 166.1814       197.0040 31.28227 11.98801 27.83987 11.13963 3.442404 
16.36471 
1 1 1 28  14  4  o 19.02173 6.488154  -227.3483      152.4019 -340.8585      
252.9090 -162.6294      190.9687 19.29635 9.427214 18.74711 8.916964 0.5492382 
12.97631 
1 1 1 28  14  5  o 33.99511 8.749745  285.4002       168.3535 462.6938       
252.4113 143.3245       225.9551 40.04761 13.07288 27.94261 11.63323 12.10501 
17.49949 
1 1 1 28  14  6  o 26.44707 8.211964  38.94590       182.5496 175.2794       
249.3499 -118.5261      267.9844 29.54900 12.25618 23.34515 10.93305 6.203846 
16.42393 
1 1 1 28  14  7  o 30.31918 8.754728  197.0662       179.1423 256.0084       
236.8660 118.2951       273.8248 32.03598 12.37826 28.60238 12.38385 3.433601 
17.50946 
1 1 1 28  14  8  o 24.08046 7.764588  -37.07350      174.5353 19.09566       
229.3349 -114.3852      269.0567 24.66379 10.96729 23.49713 10.99427 1.166662 
15.52918 
1 1 1 28  14  9  o 30.89163 12.90606  199.1145       279.6133 0.000000       
0.000000 199.1145       279.6133 ?        ?        30.89163 12.90606 ? ? 
1 1 1 28  14  10 o 32.12384 8.897997  251.0160       181.5463 342.7693       
238.8453 125.4719       279.3854 35.34917 12.65644 28.89851 12.51047 6.450661 
17.79599 
1 1 1 28  14  11 o 32.80658 8.062031  98.26231       173.9344 629.4885       
271.8899 -269.7464      226.2989 46.65374 13.25604 18.95941 9.179472 27.69433 
16.12406 
1 1 1 28  14  12 o 32.23974 8.757966  187.5781       181.2511 500.2522       
281.8438 -32.92585      236.6850 40.83456 13.81405 23.64492 10.76939 17.18964 
17.51593 
1 1 1 28  14  13 o 43.15643 9.321406  550.8408       185.4233 506.9172       
281.6151 584.4559       246.3627 40.91447 13.80845 45.39838 12.52522 -4.483906 
18.64281 
1 1 1 28  14  14 o 29.47245 8.421158  83.33369       175.4633 441.7599       
280.6127 -146.7726      224.8390 38.22685 13.71534 20.71805 9.775117 17.50880 
16.84232 
1 1 1 28  14  15 o 25.87547 7.974401  82.04620       161.3086 58.26527       
257.9721 97.31400       206.7029 26.16651 11.63380 25.58442 10.90958 0.5820942 
15.94880 
1 1 1 28  14  16 o 21.54333 7.162178  -114.1148      162.5053 -83.64395      
256.0208 -134.6743      210.3002 23.01948 10.75280 20.06717 9.463847 2.952305 
14.32436 
1 1 1 28  14  17 o 22.12152 7.133522  -38.14161      149.9631 -128.6915      
217.1672 44.39374       207.3339 20.41127 9.623484 23.83177 10.53267 -3.420500 
14.26704 
1 1 1 28  14  18 o 36.74816 8.914915  390.9322       186.6226 141.0764       
262.2203 647.3893       265.6617 27.70691 12.05906 45.78941 13.13324 -18.08249 
17.82983 
1 1 1 28  14  19 o 22.97868 7.622237  -84.45520      187.5440 3.518167       
265.7202 -171.7787      264.7370 24.48653 11.24745 21.47082 10.29023 3.015715 
15.24447 
1 1 1 28  14  20 o 28.08985 8.649395  174.2348       190.8886 173.6539       
263.9416 174.8719       276.4039 27.97904 12.13675 28.20066 12.32670 
-0.2216244     17.29879 
1 1 1 28  14  21 o 27.35210 8.417990  138.5054       189.8746 313.2085       
267.7175 -38.31682      269.3363 31.43291 12.82309 23.27128 10.90956 8.161631 
16.83598 
1 1 1 28  14  22 o 29.11810 8.870836  237.5109       198.3144 374.6768       
293.9234 122.8856       268.6899 32.30358 13.34698 25.93261 11.68867 6.370966 
17.74167 
1 1 1 28  14  23 f 32.58724 9.290771  354.8992       206.8924 703.2920       
321.8154 109.4647       270.1096 40.20366 14.66159 24.97083 11.41541 15.23283 
18.58154 
1 1 1 28  14  24 o 22.74641 7.667735  -36.19359      202.6166 195.0040       
302.2187 -224.9558      273.0784 26.05515 11.97934 19.43766 9.574556 6.617498 
15.33547 
1 1 1 28  14  25 f 23.07574 7.571219  83.78864       181.0373 -60.07448      
299.1545 166.9186       227.4048 21.67862 10.51050 24.47286 10.90059 -2.794241 
15.14244 
1 1 1 28  15  0  o 19.01285 6.315503  -101.7926      119.2996 -130.5346      
145.8427 -43.66745      207.3996 16.36263 7.787413 21.66306 9.944772 -5.300432 
12.63101 
1 1 1 28  15  1  o 34.54050 8.194057  336.0617       141.3611 295.3329       
209.5140 370.0966       191.5247 32.67596 11.83845 36.40505 11.33232 -3.729088 
16.38811 
1 1 1 28  15  2  o 29.20290 7.886244  195.8341       134.9632 295.1538       
209.4845 125.3547       176.4678 32.84753 11.84382 25.55828 10.41610 7.289255 
15.77249 
1 1 1 28  15  3  o 40.70150 8.649909  477.5144       160.4025 433.7758       
252.3176 507.1794       207.7962 38.30915 13.07045 43.09385 11.33345 -4.784702 
17.29982 
1 1 1 28  15  4  o 42.83798 8.741976  502.3361       164.1259 645.1235       
261.1962 409.1737       210.9803 47.37853 12.82000 38.29743 11.88848 9.081100 
17.48395 
1 1 1 28  15  5  o 28.79305 8.583708  130.9696       174.1729 274.5058       
281.6585 42.09697       221.6288 32.80412 13.23902 24.78198 10.92925 8.022141 
17.16742 
1 1 1 28  15  6  o 41.25354 8.953917  483.9444       191.3719 736.0394       
266.2270 214.4098       275.2816 51.45273 12.44278 31.05435 12.87896 20.39838 
17.90783 
1 1 1 28  15  7  o 26.15985 8.141017  -9.637435      176.2216 -174.4956      
227.6328 236.9363       278.3896 20.51181 9.746399 31.80788 13.04271 -11.29607 
16.28203 
1 1 1 28  15  8  o 32.29891 8.814340  257.8387       178.5509 368.2848       
236.0388 110.1049       272.9909 36.32031 12.62294 28.27751 12.30576 8.042805 
17.62868 
1 1 1 28  15  9  o 28.27992 8.357701  119.8422       179.0927 268.1334       
232.6238 -95.96498      280.6271 32.34958 12.32725 24.21025 11.28909 8.139330 
16.71540 
1 1 1 28  15  10 o 20.96069 7.114926  -221.7870      178.2430 -178.6129      
228.3055 -289.1814      285.2438 20.47365 9.743676 21.44773 10.37061 
-0.9740887     14.22985 
1 1 1 28  15  11 o 35.65979 12.80171  355.6471       244.5034 355.6471       
244.5034 0.000000       0.000000 35.65979 12.80171 ?        ?        ? ? 
1 1 1 28  15  12 o 21.77758 7.146940  -115.3482      156.4725 22.57927       
237.8394 -220.6023      207.7676 24.88822 11.11497 18.66693 8.987346 6.221281 
14.29388 
1 1 1 28  15  13 o 24.81034 7.902709  4.732117       175.2130 -76.52240      
261.6783 70.76559       235.8990 23.65792 10.98110 25.96276 11.36779 -2.304844 
15.80542 
1 1 1 28  15  14 o 33.88275 8.842982  300.7185       167.4530 438.7341       
257.6362 199.7679       220.3420 38.40428 13.20308 29.36123 11.76741 9.043049 
17.68596 
1 1 1 28  15  15 o 32.91168 8.654945  297.9186       168.4294 159.2811       
265.6181 391.1503       217.8207 28.84236 12.33500 36.98101 12.14413 -8.138645 
17.30989 
1 1 1 28  15  16 f 20.03171 6.798617  -189.2953      159.1943 -165.4797      
254.3898 -204.6251      204.0972 21.53738 10.26543 18.52604 8.916599 3.011337 
13.59723 
1 1 1 28  15  17 o 25.65841 7.724491  103.5106       148.3055 38.13803       
212.1936 165.9395       207.3613 23.81740 10.57427 27.49942 11.26303 -3.682016 
15.44898 
1 1 1 28  15  18 o 41.72672 9.555007  557.2746       190.7791 537.8868       
265.1805 578.0756       274.6747 41.08445 13.39947 42.36897 13.62523 -1.284519 
19.11001 
1 1 1 28  15  19 o 20.65163 7.050679  -251.8473      185.8818 -61.01848      
264.6315 -437.6967      261.1561 23.22530 10.87469 18.07796 8.977163 5.147343 
14.10136 
1 1 1 28  15  20 o 27.83582 8.127549  190.9205       154.3437 206.1269       
219.7626 176.1189       216.8170 28.34274 11.59943 27.32890 11.38778 1.013842 
16.25510 
1 1 1 28  15  21 o 25.66213 8.029741  9.545081       175.3516 346.8622       
282.6390 -201.5374      223.5831 32.37016 13.18558 18.95410 9.167744 13.41605 
16.05948 
1 1 1 28  15  22 o 30.46174 8.612244  297.5370       179.6948 123.7580       
298.6161 396.1874       224.9902 26.47711 12.06933 34.44637 12.28879 -7.969263 
17.22449 
1 1 1 28  15  23 f 32.34454 8.803859  387.3294       182.0231 228.9483       
295.9972 483.6466       230.8277 27.76373 12.39940 36.92535 12.50146 -9.161623 
17.60772 
1 1 1 28  15  24 o 27.71028 8.640527  223.7491       206.6881 491.7081       
300.6310 -16.44035      284.6273 32.98550 13.54436 22.43506 10.73243 10.55044 
17.28105 
1 1 1 28  15  25 o 22.04449 7.278501  14.13406       177.9670 173.6172       
228.6945 -230.7253      283.3719 24.67781 10.96429 19.41118 9.575520 5.266632 
14.55700 
1 1 1 28  16  0  o 26.86388 7.562722  145.3722       122.0207 89.16298       
148.8371 260.5932       213.0951 22.92477 9.486387 30.80298 11.78081 -7.878210 
15.12544 
1 1 1 28  16  1  o 26.83773 7.813020  51.02435       153.3712 357.0015       
243.1339 -151.1994      197.6593 34.66323 12.73378 19.01223 9.056706 15.65100 
15.62604 
1 1 1 28  16  2  o 26.30757 7.771857  130.6341       140.2885 106.7460       
236.2746 143.6412       174.3476 26.53926 11.49719 26.07588 10.46048 0.4633751 
15.54371 
1 1 1 28  16  3  o 28.21546 8.151642  167.5437       150.8120 222.0972       
236.0912 129.9383       196.0166 30.16957 12.14355 26.26136 10.87802 3.908207 
16.30328 
1 1 1 28  16  4  o 26.42542 8.239666  76.22781       174.9153 71.69558       
284.7663 78.97385       221.6592 27.28219 12.17372 25.56866 11.10715 1.713524 
16.47933 
1 1 1 28  16  5  o 26.51857 8.188686  64.57700       175.8136 -43.51645      
242.4841 184.3846       255.2853 23.49111 10.77102 29.54603 12.33708 -6.054916 
16.37737 
1 1 1 28  16  6  o 29.93345 8.590192  198.4201       173.4325 279.5085       
228.9081 89.14423       265.7320 32.51651 12.27577 27.35040 12.01961 5.166119 
17.18038 
1 1 1 28  16  7  o 38.22334 9.600192  430.5389       193.7962 377.4405       
266.9732 489.6834       281.7629 36.20456 13.33924 40.24212 13.81013 -4.037567 
19.20038 
1 1 1 28  16  8  o 36.00229 8.927347  290.3660       178.8731 75.85607       
227.1006 640.9116       290.3132 25.87518 11.24152 46.12941 13.87150 -20.25423 
17.85469 
1 1 1 28  16  9  o 26.72036 8.347738  58.80056       179.6718 8.142301       
230.1758 137.8069       287.4521 24.25767 10.88119 29.18306 12.66249 -4.925392 
16.69548 
1 1 1 28  16  10 o 31.09523 8.911715  211.1670       183.9911 104.9421       
248.5853 339.8627       273.6177 27.32445 11.81451 34.86600 13.34511 -7.541544 
17.82343 
1 1 1 28  16  11 o 29.19562 8.273259  160.3100       160.2579 322.3356       
238.8248 27.59469       216.1463 34.23086 12.61601 24.16038 10.70624 10.07048 
16.54652 
1 1 1 28  16  12 o 22.62026 10.27800  -27.41159      212.7600 0.000000       
0.000000 -27.41159      212.7600 ?        ?        22.62026 10.27800 ? ? 
1 1 1 28  16  13 o 34.99511 8.234170  320.0829       155.4603 513.8284       
222.0784 133.9099       217.6952 42.85430 11.91763 27.13592 11.36558 15.71838 
16.46834 
1 1 1 28  16  14 o 23.05083 7.442469  -66.04350      157.2501 105.2185       
251.3153 -176.2361      201.5880 27.13995 11.80886 18.96170 9.061577 8.178253 
14.88494 
1 1 1 28  16  15 o 22.89920 7.397797  -29.60870      159.2241 -112.2107      
257.8878 21.27727       202.4112 22.61767 10.61608 23.18074 10.30575 
-0.5630760     14.79559 
1 1 1 28  16  16 o 28.59080 8.141047  178.0039       161.3339 4.692698       
255.5978 292.7843       208.0069 24.67326 11.22533 32.50833 11.79401 -7.835064 
16.28209 
1 1 1 28  16  17 o 23.35093 7.415827  -7.375039      158.8004 118.6037       
209.2236 -178.5709      243.8983 25.95100 11.01811 20.75086 9.928711 5.200142 
14.83165 
1 1 1 28  16  18 o 24.56757 7.940795  8.640569       183.5766 40.12131       
255.9285 -24.72248      263.4687 25.10497 11.35664 24.03017 11.10187 1.074800 
15.88159 
1 1 1 28  16  19 o 25.28611 7.703908  44.09023       168.3569 -252.7670      
259.3724 260.2253       221.3159 20.09173 9.755377 30.48050 11.92616 -10.38878 
15.40782 
1 1 1 28  16  20 o 22.45596 7.511282  -95.74509      187.4816 -64.80004      
269.4633 -124.7805      261.0166 23.08643 10.83893 21.82549 10.40169 1.260941 
15.02256 
1 1 1 28  16  21 o 27.79865 8.485554  139.1030       196.8887 -119.3042      
288.5192 364.3188       269.3531 22.59189 10.80700 33.00541 13.08538 -10.41352 
16.97111 
1 1 1 28  16  22 o 29.22424 8.724386  246.2147       182.2717 166.3936       
240.0306 354.9359       280.1333 26.54818 11.54586 31.90030 13.08254 -5.352118 
17.44877 
1 1 1 28  16  23 o 30.61411 9.139844  314.6817       205.9296 536.7372       
310.2924 139.8916       275.2953 35.50832 14.05506 25.71990 11.68769 9.788416 
18.27969 
1 1 1 28  16  24 o 26.78426 8.437740  202.6189       200.0179 11.07847       
282.4530 395.2893       283.2850 22.80135 10.84494 30.76717 12.92939 -7.965820 
16.87548 
1 1 1 28  16  25 o 24.38190 7.946592  75.56063       203.7940 -239.1615      
295.7048 360.2746       281.2543 19.66713 9.720941 29.09667 12.57365 -9.429535 
15.89318 
1 1 1 28  17  0  o 30.30484 8.071433  241.4990       139.4925 171.8512       
182.1369 340.3067       216.9401 26.86868 10.72628 33.74100 12.06396 -6.872320 
16.14287 
1 1 1 28  17  1  o 30.94462 9.133172  235.6489       192.4487 368.8979       
315.3354 156.5611       242.9381 34.20621 13.92942 27.68303 11.81654 6.523190 
18.26634 
1 1 1 28  17  2  f 30.50589 8.597793  203.4559       171.6809 412.5058       
264.4349 51.13478       225.7219 36.42589 13.28974 24.58590 10.91197 11.83999 
17.19559 
1 1 1 28  17  3  o 31.90032 8.413627  259.3676       177.0529 -46.95564      
286.0748 449.5508       225.4113 24.67748 11.46482 39.12316 12.31724 -14.44567 
16.82725 
1 1 1 28  17  4  o 39.73997 8.441764  425.4897       153.6349 625.5150       
245.4659 296.6668       196.9904 46.63623 12.34233 32.84372 11.52043 13.79251 
16.88353 
1 1 1 28  17  5  o 20.97699 7.016284  -150.1200      162.7669 -211.5190      
221.6807 -78.30110      239.7545 19.39666 9.325146 22.55733 10.48593 -3.160666 
14.03257 
1 1 1 28  17  6  o 42.63718 9.671865  563.3912       200.6646 649.6943       
272.9640 461.9077       295.9987 46.72403 13.28418 38.55033 14.06096 8.173698 
19.34373 
1 1 1 28  17  7  o 22.75008 7.460859  -74.02872      169.4245 -50.29149      
221.5716 -107.4467      262.8991 22.44407 10.29309 23.05608 10.80324 
-0.6120071     14.92172 
1 1 1 28  17  8  o 34.50630 8.861357  329.9966       178.5811 461.9001       
235.5137 151.5667       273.9186 39.98880 12.59032 29.02380 12.47310 10.96500 
17.72271 
1 1 1 28  17  9  o 42.41409 9.888476  539.4248       207.5331 395.4715       
277.2759 722.7941       312.9426 36.61166 13.57476 48.21653 14.38241 -11.60488 
19.77695 
1 1 1 28  17  10 o 26.26592 8.044619  43.10858       170.3553 -115.0354      
231.1382 231.1716       252.0561 21.59088 10.11902 30.94096 12.50876 -9.350080 
16.08924 
1 1 1 28  17  11 o 40.40001 8.189591  464.2686       163.3407 224.5453       
241.0661 667.7466       222.0955 30.55169 12.28182 50.24833 10.83673 -19.69664 
16.37918 
1 1 1 28  17  12 o 24.49643 7.625145  46.18169       152.3925 32.27317       
216.7757 59.77143       214.2771 24.17507 10.71613 24.81778 10.85062 
-0.6427078     15.25029 
1 1 1 28  17  13 f 24.39418 7.413217  10.56002       149.1792 212.4376       
210.9753 -191.3018      210.9670 29.58668 11.62788 19.20167 9.198665 10.38501 
14.82643 
1 1 1 28  17  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 28  17  15 o 35.07156 8.538822  351.3713       151.9980 369.1455       
225.3676 336.5398       205.8687 35.63982 12.33930 34.50330 11.80625 1.136520 
17.07764 
1 1 1 28  17  16 o 38.89636 8.786688  458.6451       165.5640 376.6848       
262.8908 512.5214       213.1438 35.26118 13.18920 42.53154 11.61330 -7.270351 
17.57338 
1 1 1 28  17  17 f 42.58807 9.326166  558.1939       191.9301 380.0801       
262.1434 763.9907       281.7795 35.12846 13.16432 50.04768 13.21402 -14.91922 
18.65233 
1 1 1 28  17  18 o 29.57644 8.604130  179.0123       185.0802 -27.59764      
257.9696 398.1689       265.6869 23.72799 10.97110 35.42489 13.25742 -11.69690 
17.20826 
1 1 1 28  17  19 o 32.64951 9.244116  324.4770       192.9764 263.9463       
266.2388 391.4787       280.1088 30.69112 12.69313 34.60791 13.44243 -3.916790 
18.48823 
1 1 1 28  17  20 o 24.09286 7.894897  -11.22934      191.7610 -115.0692      
286.3324 73.22314       258.2228 22.80309 10.87396 25.38264 11.44878 -2.579552 
15.78979 
1 1 1 28  17  21 o 24.93134 8.101792  11.07763       198.2639 200.0022       
286.4425 -162.6759      274.7008 28.38880 12.47756 21.47388 10.33763 6.914919 
16.20358 
1 1 1 28  17  22 o 26.99719 8.467454  115.6723       202.2671 366.3131       
289.9282 -121.9888      282.3212 32.02739 13.24580 21.96698 10.55177 10.06041 
16.93491 
1 1 1 28  17  23 o 20.43744 7.058590  -205.4930      199.6247 -224.0172      
286.9372 -188.1168      277.9034 20.36930 9.972324 20.50558 9.992374 
-0.1362782     14.11718 
1 1 1 28  17  24 o 21.37904 7.305109  -84.94257      198.9559 -88.08875      
280.1126 -81.73944      282.6367 21.30648 10.29792 21.45159 10.36394 
-0.1451111     14.61022 
1 1 1 28  17  25 o 24.30977 7.960501  95.53083       200.5728 -131.7967      
284.4728 320.2561       282.8398 20.50780 10.01430 28.11174 12.37708 -7.603939 
15.92100 
1 1 1 28  18  0  o 50.92140 7.476748  717.6382       152.4506 741.0595       
193.5098 679.3176       247.5221 54.51833 8.454373 47.32448 12.33413 7.193851 
14.95350 
1 1 1 28  18  1  o 23.99003 7.721638  19.43103       170.2489 -154.4008      
309.7290 94.69106       203.7977 23.25328 11.14108 24.72679 10.69444 -1.473503 
15.44328 
1 1 1 28  18  2  o 21.79962 7.204966  -81.87566      165.0542 -237.3643      
275.8236 4.863257       206.0104 21.06089 10.18604 22.53835 10.19268 -1.477465 
14.40993 
1 1 1 28  18  3  o 27.05277 8.024358  108.2080       175.3745 -225.8793      
296.2817 288.3916       217.5867 22.10346 10.66402 32.00208 11.99333 -9.898624 
16.04872 
1 1 1 28  18  4  o 34.13317 8.197297  332.7672       144.7259 246.1758       
217.2802 401.8213       194.0337 30.51445 11.84198 37.75190 11.33800 -7.237448 
16.39459 
1 1 1 28  18  5  o 46.77938 8.559685  615.8387       170.0533 503.4996       
227.1147 759.1844       256.5500 41.64235 12.20826 51.91642 12.00130 -10.27407 
17.11937 
1 1 1 28  18  6  o 30.79107 8.932790  227.4301       178.4587 197.9153       
221.9742 281.3737       300.0913 29.06917 11.74414 32.51297 13.46306 -3.443796 
17.86558 
1 1 1 28  18  7  o 23.28481 7.666867  -68.24872      178.8827 -5.266190      
220.0680 -190.9064      307.1102 23.26034 10.52613 23.30927 11.15007 
-0.4893303E-01 15.33373 
1 1 1 28  18  8  o 25.57128 8.305651  -14.90001      202.6847 -16.38160      
265.8528 -12.84351      313.2139 24.78831 11.32911 26.35426 12.14853 -1.565945 
16.61130 
1 1 1 28  18  9  o 32.58267 9.109044  283.0313       182.9269 259.3118       
243.7086 313.6389       276.8430 31.59593 12.47201 33.56941 13.27960 -1.973484 
18.21809 
1 1 1 28  18  10 o 28.87586 8.435991  176.8129       166.8598 224.9623       
240.8315 132.3603       231.4017 30.41452 12.25545 27.33721 11.59602 3.077312 
16.87198 
1 1 1 28  18  11 o 36.10555 8.259265  352.0958       166.9361 586.2583       
228.4189 83.63703       244.5750 45.84579 11.80023 26.36530 11.55926 19.48049 
16.51853 
1 1 1 28  18  12 o 28.16641 8.055926  169.5243       149.3858 106.5103       
207.0636 237.9230       215.7296 25.81914 10.96155 30.51369 11.80831 -4.694548 
16.11185 
1 1 1 28  18  13 f 26.87750 7.843524  138.0504       145.2557 73.77601       
204.8628 203.0322       205.9869 24.71937 10.70720 29.03564 11.46470 -4.316267 
15.68705 
1 1 1 28  18  14 o 26.00375 7.761238  114.9848       145.4090 153.9778       
210.7671 79.56828       200.8686 27.32341 11.29659 24.68408 10.64586 2.639322 
15.52248 
1 1 1 28  18  15 o 37.36841 8.675127  413.5703       161.6202 320.3929       
237.3059 494.1815       220.7247 33.39687 12.52323 41.33995 12.00833 -7.943077 
17.35025 
1 1 1 28  18  16 o 23.97014 10.90276  3.497328       240.7955 3.497328       
240.7955 0.000000       0.000000 23.97014 10.90276 ?        ?        ? ? 
1 1 1 28  18  17 o 22.16068 7.127400  -107.5814      162.1570 -424.0988      
243.2321 145.6449       217.5588 17.49029 8.682364 26.83108 11.30557 -9.340788 
14.25480 
1 1 1 28  18  18 o 24.24110 7.870322  -0.3675552     183.6771 8.634352       
264.3005 -8.776226      255.4433 24.55563 11.25326 23.92657 11.00600 0.6290569 
15.74064 
1 1 1 28  18  19 o 23.22715 7.710875  -67.97641      189.7258 2.234942       
281.4709 -126.4386      256.8428 24.73740 11.44627 21.71690 10.33505 3.020496 
15.42175 
1 1 1 28  18  20 o 27.93923 8.528756  149.4516       195.9472 -66.39697      
288.8676 333.4188       266.6823 23.54756 11.10125 32.33090 12.95071 -8.783344 
17.05751 
1 1 1 28  18  21 o 29.41905 8.909932  246.0684       196.3418 306.6972       
286.7395 192.5471       269.4087 30.93577 13.00448 27.90234 12.18323 3.033428 
17.81986 
1 1 1 28  18  22 f 25.19145 8.126439  -14.54299      202.9210 341.4358       
299.0821 -318.1923      276.2260 31.08374 13.18412 19.29916 9.504478 11.78458 
16.25288 
1 1 1 28  18  23 o 23.72775 7.837479  45.18211       194.6107 17.44789       
278.8085 71.53346       271.7687 23.32218 10.96900 24.13332 11.19756 
-0.8111420     15.67496 
1 1 1 28  18  24 o 24.44429 7.976472  104.8299       195.9399 -45.19460      
279.8119 249.1779       274.4672 21.84038 10.49432 27.04819 12.01523 -5.207815 
15.95294 
1 1 1 28  18  25 o 29.10094 8.820390  337.2498       199.3525 524.4436       
289.7563 169.0047       274.6998 33.33000 13.43759 24.87189 11.42927 8.458109 
17.64078 
1 1 1 28  19  0  o 23.96110 7.029812  70.12473       133.3851 241.3799       
175.7037 -162.8154      204.9185 29.20978 10.81089 18.71242 8.988751 10.49736 
14.05962 
1 1 1 28  19  1  o 32.10990 8.812334  320.8738       173.2988 223.4827       
310.0744 365.1143       208.9853 29.66036 13.00956 34.55944 11.89034 -4.899088 
17.62467 
1 1 1 28  19  2  o 29.64399 8.247412  213.0857       155.9936 377.4479       
235.1221 83.85163       208.4880 34.78884 12.54728 24.49914 10.70724 10.28970 
16.49482 
1 1 1 28  19  3  o 25.49368 7.885724  47.52890       165.0082 245.2759       
251.8165 -101.2723      218.4402 30.25201 12.40466 20.73535 9.739763 9.516657 
15.77145 
1 1 1 28  19  4  o 21.14630 6.876979  -47.72839      142.1358 -124.8744      
220.2571 7.323373       186.0625 20.48543 9.668194 21.80717 9.782504 -1.321741 
13.75396 
1 1 1 28  19  5  o 25.00283 7.724327  76.60435       154.5868 113.8304       
215.6792 37.27743       221.6818 25.94541 11.10622 24.06025 10.73838 1.885160 
15.44865 
1 1 1 28  19  6  o 29.88485 8.702371  218.3747       175.6054 215.4890       
234.5663 222.0544       264.8736 29.58859 12.02558 30.18112 12.58214 
-0.5925236     17.40474 
1 1 1 28  19  7  o 24.94271 7.820963  41.05413       167.8867 139.7971       
223.1268 -87.79841      254.8855 27.08406 11.43253 22.80136 10.67554 4.282698 
15.64193 
1 1 1 28  19  8  o 32.01713 8.977621  270.3155       177.2389 218.6550       
230.4538 345.1169       277.3062 29.80632 11.99755 34.22794 13.35850 -4.421619 
17.95524 
1 1 1 28  19  9  o 36.06055 9.231442  382.5041       178.5092 329.4502       
235.1613 454.6427       274.2149 33.91384 12.51601 38.20725 13.57305 -4.293415 
18.46288 
1 1 1 28  19  10 o 31.75057 8.425608  238.1939       157.7913 434.0426       
244.5026 98.40655       206.5652 38.04494 12.86645 25.45619 10.88200 12.58875 
16.85122 
1 1 1 28  19  11 o 36.78648 8.259880  380.8425       149.9940 509.8035       
212.9939 253.9680       211.2638 42.60395 11.59862 30.96902 11.76327 11.63493 
16.51976 
1 1 1 28  19  12 o 28.64875 8.194074  153.6951       159.1185 334.1662       
240.0045 12.15849       212.5445 34.02797 12.62696 23.26954 10.44660 10.75844 
16.38815 
1 1 1 28  19  13 o 27.25538 7.908876  157.5924       144.6954 164.6197       
210.6232 151.3117       199.1214 27.60903 11.33684 26.90173 11.03074 0.7072964 
15.81775 
1 1 1 28  19  14 o 35.85751 8.500072  357.0849       155.4733 519.2617       
234.8249 230.5100       207.4549 41.87061 12.45239 29.84441 11.57337 12.02620 
17.00014 
1 1 1 28  19  15 o 22.29506 7.189486  -25.83262      151.3735 -103.5706      
229.9892 33.58097       201.0637 21.37406 10.03111 23.21606 10.30202 -1.841995 
14.37897 
1 1 1 28  19  16 o 29.30580 8.147655  173.7763       160.8523 395.9994       
236.0875 -18.75343      219.7492 36.01381 12.61390 22.59779 10.31633 13.41602 
16.29531 
1 1 1 28  19  17 o 32.64418 12.22105  313.5289       225.8105 0.000000       
0.000000 313.5289       225.8105 ?        ?        32.64418 12.22105 ? ? 
1 1 1 28  19  18 o 28.38404 8.335835  194.5779       166.4192 112.9585       
248.5311 260.9214       224.0697 26.33259 11.59791 30.43550 11.97636 -4.102909 
16.67167 
1 1 1 28  19  19 o 26.44124 8.224171  97.93597       173.4749 253.2411       
280.0078 1.194165       220.9959 30.16927 12.77450 22.71322 10.36147 7.456045 
16.44834 
1 1 1 28  19  20 o 32.28950 8.679587  274.8926       174.7814 68.65334       
229.2278 561.3113       270.1360 24.31075 10.88301 40.26825 13.52409 -15.95750 
17.35917 
1 1 1 28  19  21 o 23.52415 7.803568  -19.73540      195.1543 -18.82428      
290.4156 -20.48557      263.5201 23.89977 11.22736 23.14854 10.84108 0.7512360 
15.60714 
1 1 1 28  19  22 o 24.34858 7.982858  52.89215       194.8856 46.51598       
277.3597 59.10990       273.8927 24.26875 11.28028 24.42841 11.29865 
-0.1596565     15.96572 
1 1 1 28  19  23 o 24.08161 7.856498  17.43916       196.1252 289.1890       
276.8431 -256.3613      277.8857 28.63875 12.42648 19.52447 9.616697 9.114286 
15.71300 
1 1 1 28  19  24 o 19.46760 6.705863  -153.3504      176.1533 -230.9790      
278.6348 -101.6674      227.3520 19.45393 9.581233 19.48128 9.384794 
-0.2735138E-01 13.41173 
1 1 1 28  19  25 o 23.02716 7.527178  68.95227       172.3876 -61.47053      
232.8706 227.0775       256.4121 20.06745 9.625702 25.98688 11.57495 -5.919428 
15.05436 
1 1 1 28  20  0  o 22.51653 7.176832  14.85378       151.6873 145.4469       
200.4832 -160.0031      231.9847 25.33803 10.77248 19.69503 9.485845 5.643000 
14.35366 
1 1 1 28  20  1  o 19.96701 6.720227  -139.8487      157.8084 -32.02117      
215.6799 -264.0850      231.5095 21.52884 9.983824 18.40518 8.998281 3.123661 
13.44045 
1 1 1 28  20  2  o 29.14287 8.602512  229.7349       175.7230 212.2413       
255.6333 245.4059       241.9506 28.69596 12.18102 29.58978 12.15055 
-0.8938236     17.20502 
1 1 1 28  20  3  o 29.50248 8.079496  211.0862       154.8811 391.4069       
221.7589 39.36128       216.4089 35.51585 12.24553 23.48911 10.54325 12.02674 
16.15899 
1 1 1 28  20  4  o 21.14046 6.967290  -62.45950      148.5077 -120.8955      
250.5064 -30.79335      184.4065 21.65456 10.25857 20.62636 9.430494 1.028198 
13.93458 
1 1 1 28  20  5  o 25.53607 7.845613  92.37486       158.6611 11.77682       
223.0239 174.9645       225.7626 23.29420 10.56612 27.77794 11.60050 -4.483747 
15.69123 
1 1 1 28  20  6  o 28.10015 8.235981  180.6308       156.6940 187.5457       
252.8939 176.3218       199.6319 28.71518 12.14860 27.48513 11.12371 1.230055 
16.47196 
1 1 1 28  20  7  o 21.25980 7.078837  -246.5038      169.4870 -541.8539      
228.5778 114.1876       252.6000 15.66438 7.881690 26.85522 11.76090 -11.19084 
14.15767 
1 1 1 28  20  8  o 37.56137 9.293199  408.0518       180.0941 279.2486       
229.2162 615.8282       291.1254 31.65660 12.18811 43.46615 14.03225 -11.80955 
18.58640 
1 1 1 28  20  9  o 39.33769 8.307244  348.3469       162.9161 100.2025       
199.7977 840.6798       281.4283 25.12058 10.71923 53.55481 12.69407 -28.43423 
16.61449 
1 1 1 28  20  10 o 30.40138 8.159424  242.7887       146.2287 178.3193       
208.3405 305.3842       205.2905 27.91026 11.33677 32.89251 11.73807 -4.982243 
16.31885 
1 1 1 28  20  11 o 21.33655 6.922508  -58.36236      143.8555 40.15976       
199.9490 -164.0837      207.1255 23.40160 10.34286 19.27151 9.203788 4.130091 
13.84502 
1 1 1 28  20  12 o 33.23655 8.376499  314.9162       148.3021 347.0977       
204.6045 279.2946       215.2628 34.73988 11.76995 31.73322 11.92188 3.006664 
16.75300 
1 1 1 28  20  13 o 19.93975 6.665271  -138.2825      146.0958 -51.06152      
219.8316 -207.2783      195.5200 21.98009 10.14946 17.89941 8.642436 4.080681 
13.33054 
1 1 1 28  20  14 o 31.16776 8.481211  267.1004       155.7503 287.7641       
236.2126 251.2067       207.1636 31.87314 12.35168 30.46238 11.62582 1.410763 
16.96242 
1 1 1 28  20  15 o 25.89935 7.734214  106.8123       152.6042 -38.38385      
227.7307 225.1518       205.5932 22.45493 10.35404 29.34376 11.49200 -6.888830 
15.46843 
1 1 1 28  20  16 o 29.52308 8.345633  225.9878       159.3073 153.2581       
228.6059 294.6511       222.1231 27.14068 11.51987 31.90548 12.07853 -4.764803 
16.69127 
1 1 1 28  20  17 o 38.96492 9.047430  476.2872       170.5983 540.9193       
254.4221 423.4889       229.9540 41.04860 13.10454 36.88123 12.47778 4.167366 
18.09486 
1 1 1 28  20  18 o 24.46190 7.739578  -6.773409      169.3038 235.7710       
256.2606 -194.6428      225.5352 29.60043 12.36026 19.32337 9.318161 10.27706 
15.47916 
1 1 1 28  20  19 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 28  20  20 o 31.08086 8.862309  302.2024       180.2759 376.5063       
256.8871 230.0996       253.0535 33.37778 12.89201 28.78394 12.16381 4.593845 
17.72462 
1 1 1 28  20  21 o 23.74368 7.806734  9.825785       190.9126 -53.39912      
272.5165 70.76031       267.5349 22.69537 10.72714 24.79200 11.34499 -2.096632 
15.61347 
1 1 1 28  20  22 o 26.28994 8.106696  174.1015       174.3712 258.4263       
225.7428 49.36377       274.5588 28.54616 11.73170 24.03372 11.19113 4.512444 
16.21339 
1 1 1 28  20  23 o 23.26024 7.737205  39.76698       194.2111 72.99260       
271.5687 4.986323       277.8510 23.76391 11.09042 22.75657 10.79166 1.007339 
15.47441 
1 1 1 28  20  24 o 22.38872 7.462674  14.99040       188.0013 -136.5438      
278.0721 142.5738       255.1521 20.40764 9.953743 24.36979 11.12156 -3.962152 
14.92535 
1 1 1 28  20  25 o 23.13801 7.489243  104.7527       166.2984 161.6153       
227.2612 39.20956       243.9919 24.29519 10.85716 21.98082 10.31878 2.314365 
14.97849 
1 1 1 28  21  0  o 20.69231 6.720445  -19.74863      134.8725 -126.7334      
183.8937 104.7927       198.4095 17.83010 8.552825 23.55453 10.36854 -5.724428 
13.44089 
1 1 1 28  21  1  o 27.73787 8.211246  211.0858       157.4737 275.1342       
250.3570 169.1575       202.5626 29.49836 12.26085 25.97738 10.92564 3.520979 
16.42249 
1 1 1 28  21  2  o 31.88948 8.445358  305.0529       161.0852 157.2018       
221.4055 471.3371       234.8020 26.21999 11.23917 37.55896 12.60863 -11.33897 
16.89072 
1 1 1 28  21  3  o 24.21691 7.525723  -21.06383      152.0890 300.5095       
248.6195 -213.3653      192.2589 31.14942 12.49321 17.28440 8.394386 13.86503 
15.05145 
1 1 1 28  21  4  o 22.10783 7.071267  10.06740       141.5028 -55.39425      
215.8046 59.43885       187.4154 21.26708 9.910143 22.94858 10.08962 -1.681496 
14.14253 
1 1 1 28  21  5  o 22.18969 7.211318  -47.94300      157.4690 89.98074       
224.1254 -182.4006      221.2912 25.03384 11.01987 19.34555 9.304564 5.688293 
14.42264 
1 1 1 28  21  6  o 22.28680 7.215942  -13.79003      151.6156 -117.6135      
257.5885 41.24618       187.5439 21.95819 10.40249 22.61542 10.00338 
-0.6572247     14.43188 
1 1 1 28  21  7  o 27.45885 8.093189  163.8768       159.5158 244.1067       
214.6527 64.92252       238.3885 29.92565 11.73786 24.99204 11.14547 4.933601 
16.18638 
1 1 1 28  21  8  o 25.32737 7.972548  65.86755       168.7009 16.81896       
222.0860 132.7791       259.3932 23.38751 10.57947 27.26723 11.92983 -3.879713 
15.94510 
1 1 1 28  21  9  o 43.71321 8.559158  602.3438       174.6078 740.3660       
224.9548 393.1648       276.9363 52.30526 10.61378 35.12117 13.43073 17.18408 
17.11832 
1 1 1 28  21  10 o 20.64637 6.855958  -98.39040      150.6342 -82.93204      
198.7417 -119.2595      230.9191 20.25896 9.467423 21.03379 9.918897 
-0.7748299     13.71192 
1 1 1 28  21  11 o 26.39219 7.699907  124.9829       145.2838 -2.497475      
205.3113 252.8392       205.6138 22.35315 10.13864 30.43123 11.59147 -8.078075 
15.39981 
1 1 1 28  21  12 o 26.37571 7.758962  95.83084       150.8409 290.5081       
224.4988 -64.38665      203.6627 31.86912 12.12000 20.88231 9.690794 10.98681 
15.51792 
1 1 1 28  21  13 o 26.05523 7.959127  70.65543       157.5373 268.3284       
258.8412 -45.64986      198.5452 31.08107 12.63240 21.02938 9.685724 10.05169 
15.91825 
1 1 1 28  21  14 f 27.51984 7.978773  159.6794       149.3823 273.4257       
223.8864 68.40824       200.5515 31.08580 12.02953 23.95388 10.48493 7.131920 
15.95755 
1 1 1 28  21  15 o 26.64972 7.971880  146.2171       154.4526 108.5558       
230.5899 176.8634       208.0090 25.85657 11.28083 27.44286 11.26705 -1.586288 
15.94376 
1 1 1 28  21  16 o 24.75574 7.772769  52.41444       162.5826 171.8492       
243.7813 -43.26411      218.1937 27.74785 11.84039 21.76363 10.07318 5.984217 
15.54554 
1 1 1 28  21  17 o 20.87189 7.006103  -124.2032      165.2746 -93.13126      
247.2785 -149.2912      222.1954 21.85235 10.29299 19.89143 9.507699 1.960922 
14.01221 
1 1 1 28  21  18 o 24.27105 7.727188  51.71333       167.2339 -16.40533      
246.7632 109.5749       227.4272 23.11650 10.70433 25.42559 11.14697 -2.309082 
15.45438 
1 1 1 28  21  19 f 28.76695 8.475002  221.1743       174.3503 116.9816       
250.6415 318.8594       242.6880 25.87251 11.48882 31.66138 12.46233 -5.788864 
16.95000 
1 1 1 28  21  20 o 24.52757 7.909449  60.88909       181.0989 119.8217       
259.4158 4.865464       252.9323 25.78858 11.56018 23.26655 10.79813 2.522030 
15.81890 
1 1 1 28  21  21 o 17.71807 8.827407  -419.0244      263.0634 -419.0244      
263.0634 0.000000       0.000000 17.71807 8.827407 ?        ?        ? ? 
1 1 1 28  21  22 o 24.60200 7.931733  80.41666       185.0446 261.7845       
269.3395 -81.72283      254.6621 28.10656 12.22715 21.09744 10.10675 7.009125 
15.86347 
1 1 1 28  21  23 o 25.52522 8.192392  172.5525       191.1747 246.7492       
280.0139 107.7717       261.6439 27.02261 12.06443 24.02783 11.08651 2.994778 
16.38478 
1 1 1 28  21  24 o 29.44745 8.777802  344.5855       185.0880 483.3146       
282.4555 240.1886       245.0250 32.46253 13.19532 26.43238 11.57941 6.030151 
17.55560 
1 1 1 28  22  0  o 20.14719 6.528330  11.75476       126.9796 65.62210       
176.2063 -46.44003      183.1474 21.35912 9.552204 18.93526 8.901222 2.423851 
13.05666 
1 1 1 28  22  1  o 22.42767 7.347552  4.219542       172.7422 -191.7425      
266.1754 146.8081       227.0514 19.92311 9.721207 24.93222 11.02017 -5.009111 
14.69510 
1 1 1 28  22  2  o 25.19800 7.879293  130.9817       166.4336 70.40024       
244.6827 183.1465       227.0504 23.96519 10.92453 26.43081 11.35728 -2.465630 
15.75859 
1 1 1 28  22  3  o 24.54741 7.500937  120.5323       140.6150 114.2457       
216.2429 125.1381       185.0909 24.72799 10.85509 24.36683 10.35487 0.3611622 
15.00187 
1 1 1 28  22  4  o 22.74214 7.364272  8.102405       160.8749 -104.6973      
251.8894 85.81153       209.0701 21.45792 10.22277 24.02635 10.60307 -2.568428 
14.72854 
1 1 1 28  22  5  o 28.76274 8.193649  209.2260       158.0404 352.0450       
230.2479 81.99709       217.3179 33.20449 12.35841 24.32099 10.76166 8.883497 
16.38730 
1 1 1 28  22  6  o 25.83904 7.530198  127.9582       142.7597 -32.03469      
212.8167 258.8544       192.4948 21.60679 9.980569 30.07128 11.27847 -8.464491 
15.06040 
1 1 1 28  22  7  o 24.73441 7.840009  65.23585       168.6920 67.48138       
241.4419 63.09419       235.7914 24.86393 11.14893 24.60489 11.02562 0.2590446 
15.68002 
1 1 1 28  22  8  o 31.28844 8.098240  280.4587       159.0134 421.9435       
200.5350 40.82638       260.9805 37.67059 11.56963 24.90630 11.33444 12.76429 
16.19648 
1 1 1 28  22  9  o 25.10015 7.721262  -81.67776      161.5878 -335.0570      
202.0628 367.8100       269.1285 16.31912 8.058765 33.88118 13.17300 -17.56205 
15.44252 
1 1 1 28  22  10 o 30.69363 8.488407  257.8156       157.6339 343.9879       
243.7064 195.8302       206.6941 33.38953 12.64840 27.99772 11.32387 5.391806 
16.97681 
1 1 1 28  22  11 o 24.63858 7.381567  12.42169       149.3809 284.9958       
217.7749 -229.7961      205.2903 31.37253 11.93537 17.90463 8.688899 13.46790 
14.76313 
1 1 1 28  22  12 o 42.88122 8.757059  561.4522       166.4179 552.9106       
240.0059 569.3618       230.9557 42.26656 12.59286 43.49588 12.17227 -1.229324 
17.51412 
1 1 1 28  22  13 o 23.98289 7.591135  50.07291       154.2756 27.48084       
254.2348 63.24105       194.0972 24.50884 11.16251 23.45695 10.29076 1.051888 
15.18227 
1 1 1 28  22  14 o 22.49858 7.192991  -5.257126      150.5422 -146.5661      
229.5309 101.4158       199.4267 20.30632 9.695807 24.69085 10.62769 -4.384527 
14.38598 
1 1 1 28  22  15 o 29.40966 8.264830  229.8574       160.2671 104.4513       
239.9103 330.9237       215.3738 25.77291 11.36805 33.04641 11.99988 -7.273502 
16.52966 
1 1 1 28  22  16 o 21.82023 7.189049  -56.20131      162.2508 -132.5604      
241.8540 6.288624       218.7902 20.93164 9.984440 22.70883 10.34605 -1.777187 
14.37810 
1 1 1 28  22  17 o 26.31030 8.023718  109.5809       164.3013 282.4763       
251.4046 -19.31655      217.0720 30.64949 12.45209 21.97111 10.12254 8.678375 
16.04744 
1 1 1 28  22  18 o 28.04097 7.983345  152.2813       172.1264 -174.0525      
259.0351 410.3017       230.3322 20.73197 9.994675 35.34996 12.45157 -14.61798 
15.96669 
1 1 1 28  22  19 o 19.36725 6.701220  -263.0517      181.1255 -212.1338      
263.5535 -308.6247      249.3374 20.22898 9.825679 18.50552 9.114901 1.723465 
13.40244 
1 1 1 28  22  20 o 26.22615 8.234026  153.9790       181.5576 114.0940       
259.2850 192.3479       254.3096 25.33472 11.44729 27.11757 11.83877 -1.782850 
16.46805 
1 1 1 28  22  21 o 30.29175 8.824612  312.8941       187.4464 471.6724       
272.4824 170.2506       258.2670 34.50790 13.28813 26.07559 11.61554 8.432312 
17.64922 
1 1 1 28  22  22 o 25.15084 11.47440  147.9489       271.1374 0.000000       
0.000000 147.9489       271.1374 ?        ?        25.15084 11.47440 ? ? 
1 1 1 28  22  23 o 20.66973 9.962240  -75.79855      256.9725 -75.79855      
256.9725 0.000000       0.000000 20.66973 9.962240 ?        ?        ? ? 
1 1 1 28  22  24 o 19.86747 6.860453  -142.0911      187.8803 -96.69051      
259.2360 -192.3224      272.6792 20.25922 9.811576 19.47572 9.591467 0.7834930 
13.72091 
1 1 1 28  23  0  o 25.47287 7.297800  199.5904       124.5625 265.9145       
173.8975 129.7021       178.5089 27.99595 10.66116 22.94978 9.968509 5.046171 
14.59560 
1 1 1 28  23  1  o 25.10392 7.616312  180.0630       145.6134 247.9305       
208.2864 115.1840       203.6488 27.08008 11.21500 23.12776 10.30809 3.952324 
15.23262 
1 1 1 28  23  2  o 24.19519 7.115549  49.64486       146.3324 -286.0257      
211.8878 355.7257       202.3333 16.60561 8.212779 31.78478 11.62215 -15.17917 
14.23110 
1 1 1 28  23  3  o 20.52501 6.723726  -88.21053      148.3143 -335.4079      
212.4852 146.6474       207.1140 16.25016 8.073357 24.79984 10.75430 -8.549681 
13.44745 
1 1 1 28  23  4  o 27.46277 8.043892  154.8373       160.9265 419.9457       
248.3142 -37.13991      211.3073 34.12445 12.80757 20.80108 9.735654 13.32337 
16.08778 
1 1 1 28  23  5  o 33.96408 8.845705  390.6882       170.3244 292.8016       
239.8712 490.2309       241.8918 30.25835 12.21508 37.66982 12.79757 -7.411476 
17.69141 
1 1 1 28  23  6  o 31.52093 8.584148  310.5966       158.0794 366.5290       
250.7174 273.6890       203.6627 32.95110 12.73438 30.09076 11.51460 2.860338 
17.16830 
1 1 1 28  23  7  o 23.96744 7.488815  49.40576       157.2109 194.7592       
211.9689 -128.3018      234.3755 27.43617 11.33511 20.49870 9.790032 6.937473 
14.97763 
1 1 1 28  23  8  o 27.16220 7.923607  180.5398       146.0482 141.2519       
196.2398 229.3183       218.6614 25.54949 10.75011 28.77492 11.64342 -3.225426 
15.84721 
1 1 1 28  23  9  o 30.10159 8.595021  203.7552       181.2869 -14.38331      
242.6720 479.2276       272.7047 23.00166 10.63739 37.20151 13.50346 -14.19985 
17.19004 
1 1 1 28  23  10 o 31.12971 8.232837  270.3740       150.8259 411.8934       
221.8011 148.6470       205.7071 36.14780 12.25459 26.11161 10.99743 10.03619 
16.46567 
1 1 1 28  23  11 o 22.39216 7.159115  -7.653494      149.2286 -144.8058      
216.9215 115.5733       205.6144 19.67204 9.400765 25.11228 10.79988 -5.440239 
14.31823 
1 1 1 28  23  12 o 25.04342 7.658198  101.8969       148.3287 172.6661       
219.7263 42.64564       201.0522 27.14276 11.39572 22.94408 10.23375 4.198671 
15.31640 
1 1 1 28  23  13 o 28.09811 7.958330  199.4075       156.3651 -0.7428644     
262.4460 309.5566       194.6938 23.93798 11.06730 32.25825 11.43918 -8.320271 
15.91666 
1 1 1 28  23  14 o 23.90700 7.544180  57.78006       156.0957 -29.65419      
245.9085 116.7858       202.0133 22.81941 10.61234 24.99459 10.72552 -2.175184 
15.08836 
1 1 1 28  23  15 o 29.23385 8.350780  240.6669       160.7141 185.2173       
237.4916 287.5121       218.2888 27.58170 11.72548 30.88600 11.89350 -3.304298 
16.70156 
1 1 1 28  23  16 o 29.08567 8.236979  205.2647       161.2858 404.7601       
241.2633 44.07457       216.8672 34.89552 12.69777 23.27582 10.49561 11.61970 
16.47396 
1 1 1 28  23  17 o 22.82167 7.411236  10.36884       162.1654 10.31829       
244.7796 10.40839       216.4902 23.26344 10.72980 22.37989 10.22629 0.8835545 
14.82247 
1 1 1 28  23  18 o 31.58481 8.802155  323.2114       174.7768 431.1201       
253.4155 225.3190       241.3678 34.95868 12.97442 28.21093 11.89857 6.747749 
17.60431 
1 1 1 28  23  19 o 22.46324 7.466901  -27.45503      180.9210 -6.102882      
253.4769 -49.62980      258.3135 22.76468 10.65616 22.16180 10.46254 0.6028862 
14.93380 
1 1 1 28  23  20 o 23.02495 7.615529  8.230615       184.7489 -75.52161      
258.8562 95.18713       263.7616 21.46928 10.26194 24.58061 11.25512 -3.111336 
15.23106 
1 1 1 28  23  21 o 22.03510 7.392482  -21.41027      185.2565 -64.70432      
267.7888 18.32809       256.5566 21.52376 10.32375 22.54645 10.58373 -1.022686 
14.78496 
1 1 1 28  23  22 o 38.72887 9.698572  647.4055       197.8759 608.2321       
277.9185 687.6805       281.7996 37.37406 13.62546 40.08368 13.80566 -2.709621 
19.39714 
1 1 1 28  23  23 o 22.14180 7.357398  40.02385       174.7177 75.52178       
233.0457 -5.537042      264.0193 22.54341 10.42501 21.74019 10.38481 0.8032169 
14.71480 
1 1 1 28  24  1  o 20.51896 6.637846  35.15873       130.5426 -57.73726      
206.4003 97.09497       168.5328 19.28868 9.206183 21.74924 9.565050 -2.460567 
13.27569 
1 1 1 28  24  2  o 23.05319 7.301552  101.6042       151.5300 207.4903       
208.1058 -17.88893      221.0732 25.58835 10.92999 20.51804 9.684319 5.070309 
14.60310 
1 1 1 28  24  3  o 24.11597 7.745558  -2.559494      167.5462 424.8266       
284.9578 -228.3761      207.1326 31.25740 13.04190 16.97454 8.359637 14.28287 
15.49112 
1 1 1 28  24  4  o 26.26536 8.168558  188.6597       158.8123 281.7995       
311.9915 156.0863       184.5045 28.09132 12.63215 24.43939 10.36003 3.651928 
16.33712 
1 1 1 28  24  5  o 25.20876 7.840657  144.8380       154.1641 217.0608       
258.4172 104.9315       192.0903 27.10984 11.88380 23.30768 10.23127 3.802160 
15.68131 
1 1 1 28  24  6  o 31.59896 8.600152  338.7400       169.4296 206.2150       
245.7036 458.8868       233.9477 27.18146 11.74917 36.01646 12.56215 -8.835009 
17.20030 
1 1 1 28  24  7  o 22.48652 7.525331  -76.69379      183.3693 102.1483       
292.6353 -192.3121      235.2910 25.73019 11.81227 19.24285 9.326995 6.487339 
15.05066 
1 1 1 28  24  8  o 25.58113 8.046876  124.8149       173.0569 81.00845       
284.0759 150.6659       218.2244 25.38149 11.64633 25.78078 11.10728 
-0.3992901     16.09375 
1 1 1 28  24  9  o 34.52949 8.945360  408.5438       171.8306 445.6364       
226.0380 357.7641       264.4737 36.69104 12.37108 32.36795 12.92417 4.323090 
17.89072 
1 1 1 28  24  10 o 32.39038 8.089704  264.5004       160.2681 4.891767       
214.8839 589.9526       240.5958 22.19343 10.16074 42.58733 12.59097 -20.39390 
16.17941 
1 1 1 28  24  11 o 29.15744 8.418853  243.2672       163.6817 188.3805       
226.1426 303.6608       237.2161 27.27605 11.51135 31.03883 12.28809 -3.762781 
16.83771 
1 1 1 28  24  12 o 31.96277 8.698924  326.8621       163.2486 316.1658       
273.7436 332.7656       203.3692 31.24898 12.89355 32.67656 11.68081 -1.427572 
17.39785 
1 1 1 28  24  13 o 28.64983 8.310278  157.8215       161.2760 456.8109       
271.6470 -4.931449      200.4202 35.81767 13.40512 21.48199 9.825757 14.33568 
16.62056 
1 1 1 28  24  14 o 20.69439 6.871461  -64.88178      150.8220 -103.5103      
234.4700 -37.61762      196.9833 20.80851 9.889421 20.58028 9.542917 0.2282352 
13.74292 
1 1 1 28  24  15 o 20.21491 6.863566  -153.5933      169.5860 -95.08604      
241.1447 -210.8426      238.5383 21.13831 10.03812 19.29152 9.363247 1.846790 
13.72713 
1 1 1 28  24  16 o 21.08896 7.034822  -65.72015      161.3027 -90.34696      
243.5597 -46.47987      215.2816 21.21089 10.08001 20.96703 9.815721 0.2438622 
14.06964 
1 1 1 28  24  17 f 25.31871 7.876945  97.30679       164.7250 279.5055       
250.8533 -40.81608      218.4138 29.56651 12.28008 21.07091 9.868371 8.495598 
15.75389 
1 1 1 28  24  18 o 26.52231 8.246472  157.0042       186.4035 308.4932       
257.2108 -10.56938      270.5213 30.05254 12.45539 22.99208 10.81113 7.060463 
16.49294 
1 1 1 28  24  19 o 34.13492 9.445913  453.5946       195.7054 613.2930       
303.2268 339.5775       256.2136 37.80463 14.16010 30.46520 12.50570 7.339436 
18.89183 
1 1 1 28  24  20 o 21.15586 7.153871  -73.30402      181.4290 -183.9431      
259.5502 32.41051       253.7083 19.62396 9.579606 22.68777 10.62745 -3.063803 
14.30774 
1 1 1 28  24  21 o 33.81948 9.195827  481.9290       183.7786 477.5095       
252.3738 486.9182       268.1470 34.00347 12.87418 33.63549 13.13425 0.3679733 
18.39165 
1 1 1 28  24  22 o 28.14275 8.434958  304.4257       176.7303 361.5232       
233.6095 228.0171       270.2422 30.17701 12.10730 26.10849 11.74766 4.068516 
16.86992 
1 1 1 28  25  3  o 24.93579 7.957119  165.7547       161.5450 280.3122       
310.6217 123.2824       189.1354 26.98369 12.30275 22.88788 10.09482 4.095810 
15.91424 
1 1 1 28  25  4  o 26.41935 8.268510  181.5051       161.2086 461.5963       
310.8879 78.49404       188.5367 31.09031 13.32216 21.74840 9.797602 9.341908 
16.53702 
1 1 1 28  25  5  o 24.08617 7.216538  80.81494       157.7507 -353.4090      
260.1822 333.2308       198.3714 17.64049 8.787383 30.53185 11.44970 -12.89137 
14.43308 
1 1 1 28  25  6  o 23.24688 7.692814  58.59626       179.5980 48.47150       
319.6232 63.26810       217.1151 24.05979 11.47691 22.43397 10.24685 1.625824 
15.38563 
1 1 1 28  25  7  o 23.33920 7.732158  41.48407       189.7944 -54.87204      
320.4947 93.52596       235.5362 22.96745 11.08341 23.71096 10.78439 
-0.7435169     15.46432 
1 1 1 28  25  8  o 23.56025 7.850285  8.525710       182.7331 172.7586       
333.3206 -62.04281      218.4930 26.77909 12.41585 20.34140 9.610128 6.437685 
15.70057 
1 1 1 28  25  9  o 25.20107 7.948437  69.07349       180.3543 -153.4918      
246.3008 326.3747       264.8244 19.99899 9.664330 30.40315 12.62186 -10.40416 
15.89687 
1 1 1 28  25  10 o 23.32357 7.575921  43.84192       169.9044 43.55569       
253.9963 44.07372       228.5719 23.63444 10.91196 23.01271 10.51225 0.6217232 
15.15184 
1 1 1 28  25  11 o 33.01212 8.824658  380.9125       167.6976 391.1110       
236.3351 370.5703       237.9941 33.42769 12.50494 32.59654 12.45492 0.8311501 
17.64932 
1 1 1 28  25  12 o 26.19217 7.987192  162.1094       162.1759 79.37141       
228.5114 246.0751       230.2006 23.89388 10.77404 28.49046 11.79411 -4.596575 
15.97438 
1 1 1 28  25  13 o 21.17865 6.945808  -87.18618      150.6132 154.0188       
228.3527 -272.9110      200.3771 25.76719 11.23406 16.59012 8.171474 9.177074 
13.89162 
1 1 1 28  25  14 o 40.26670 8.825074  561.3321       173.5137 405.7652       
248.3839 709.6073       242.4930 33.60269 12.75746 46.93071 12.19734 -13.32802 
17.65015 
1 1 1 28  25  15 o 24.50891 7.723323  108.9679       162.4293 62.05801       
240.0111 148.6078       220.6302 23.65606 10.79332 25.36176 11.05003 -1.705706 
15.44665 
1 1 1 28  25  16 o 22.26382 7.295802  13.82468       160.8678 38.40783       
245.6942 -4.621981      212.8310 23.16310 10.70875 21.36454 9.911483 1.798561 
14.59160 
1 1 1 28  25  17 o 30.54352 8.645617  334.7409       169.3123 308.2984       
254.5122 355.7330       226.7695 29.53609 12.32472 31.55095 12.12798 -2.014856 
17.29123 
1 1 1 28  25  18 f 21.21365 7.112719  -50.60166      172.8284 -158.2701      
254.6681 41.32092       235.3106 19.87863 9.656487 22.54868 10.44583 -2.670042 
14.22544 
1 1 1 28  25  19 o 24.47612 7.902778  124.5595       181.8681 203.4551       
260.0207 48.99650       254.4697 26.09550 11.63880 22.85675 10.69364 3.238752 
15.80556 
1 1 1 28  25  20 o 24.85047 7.914514  148.8252       177.2336 27.80424       
245.4263 280.7187       256.2137 22.05135 10.35138 27.64958 11.97527 -5.598234 
15.82903 
1 1 1 28  25  21 o 25.23780 7.935090  189.5124       172.8687 263.5179       
230.7964 94.93475       260.9104 27.11016 11.54302 23.36544 10.89134 3.744717 
15.87018 
1 1 1 28  25  22 o 21.33185 7.166323  -7.819547      172.9166 -58.36063      
229.6699 58.32098       262.7336 20.00705 9.587680 22.65666 10.65369 -2.649616 
14.33265 
1 1 1 28  26  5  o 16.23655 5.632452  -220.6693      125.5467 -51.05726      
195.3603 -339.9990      163.8634 19.03059 9.036198 13.44252 6.726457 5.588073 
11.26490 
1 1 1 28  26  6  o 28.09358 7.809926  266.7904       136.1772 365.4102       
203.9389 187.4376       182.9358 31.29151 11.63401 24.89565 10.42255 6.395851 
15.61985 
1 1 1 28  26  7  o 27.01271 7.875375  246.0958       144.9817 288.4733       
208.6798 206.5548       201.5748 28.36105 11.41633 25.66437 10.85143 2.696678 
15.75075 
1 1 1 28  26  8  o 24.60011 8.057519  130.5586       199.0522 43.89835       
319.3427 185.6218       254.5528 23.73494 11.35759 25.46529 11.43239 -1.730350 
16.11504 
1 1 1 28  26  9  o 25.92827 8.072389  186.9034       186.5502 -69.68889      
324.6269 313.4187       227.9472 22.54342 10.93574 29.31313 11.87701 -6.769712 
16.14478 
1 1 1 28  26  10 o 28.58574 8.421283  259.2013       171.5993 454.9051       
261.2859 110.7684       227.5523 33.41139 12.98184 23.76010 10.73050 9.651295 
16.84257 
1 1 1 28  26  11 o 28.47292 8.519688  282.4063       178.9782 212.0664       
262.9681 343.1086       244.2896 26.61271 11.79895 30.33313 12.29330 -3.720427 
17.03938 
1 1 1 28  26  12 o 22.11119 7.279586  1.513054       170.7041 -161.1115      
262.0578 121.3799       224.9850 20.10060 9.774125 24.12179 10.79055 -4.021193 
14.55917 
1 1 1 28  26  13 o 19.57898 6.734370  -165.8154      170.6446 -90.84827      
268.6508 -216.5198      220.9406 21.24208 10.22533 17.91588 8.766384 3.326202 
13.46874 
1 1 1 28  26  14 o 18.79432 6.424253  -139.0494      149.4902 -88.36225      
234.9450 -173.5292      193.7756 20.25193 9.703133 17.33671 8.422191 2.915220 
12.84851 
1 1 1 28  26  15 o 23.25804 7.584202  67.40184       172.8455 127.9562       
246.2427 8.588429       242.6772 24.48657 11.10498 22.02950 10.33247 2.457066 
15.16840 
1 1 1 28  26  16 o 25.91958 7.882078  188.5382       162.8664 47.49844       
245.0004 300.2151       218.0106 22.71009 10.57354 29.12906 11.69225 -6.418972 
15.76416 
1 1 1 28  26  17 o 22.69555 7.404696  62.34872       166.5998 -20.05211      
252.6429 125.7501       221.6107 21.57413 10.25908 23.81697 10.68033 -2.242846 
14.80939 
1 1 1 28  26  18 o 27.51976 8.337161  268.2723       173.7791 201.0507       
245.3131 335.9869       246.2110 25.68280 11.39015 29.35671 12.17775 -3.673904 
16.67432 
1 1 1 28  26  19 o 21.99181 7.372010  -108.7686      176.2119 -357.7315      
222.4624 310.4786       288.6851 16.06779 8.020934 27.91583 12.37137 -11.84804 
14.74402 
1 1 1 28  26  20 o 21.17046 7.109463  -61.33405      172.8511 -257.2988      
233.9041 174.4327       256.5606 17.51636 8.654923 24.82456 11.28141 -7.308199 
14.21893 
1 1 1 28  27  8  o 22.85848 7.353599  96.62785       155.9867 176.6596       
223.4356 20.53570       217.8668 24.66101 10.91210 21.05596 9.860411 3.605047 
14.70720 
1 1 1 28  27  9  o 25.37460 7.810370  190.3090       159.1902 297.6459       
228.7857 89.57034       221.6422 28.13027 11.70827 22.61894 10.34041 5.511335 
15.62074 
1 1 1 28  27  10 o 26.39534 8.499038  230.7614       203.7787 162.8190       
263.9670 330.9771       320.5880 24.74335 11.30035 28.04733 12.69790 -3.303988 
16.99808 
1 1 1 28  27  11 o 25.69428 7.964664  197.5607       167.9308 95.16711       
235.1252 304.1798       239.9276 23.06945 10.58966 28.31911 11.89969 -5.249664 
15.92933 
1 1 1 28  27  12 o 22.33109 7.277863  51.84528       162.6955 -72.36124      
236.8300 162.8472       223.8875 20.14227 9.672624 24.51991 10.87702 -4.377640 
14.55573 
1 1 1 28  27  13 o 19.17684 6.539474  -134.7332      160.5703 -308.8779      
233.9115 20.45740       220.8152 17.05488 8.472805 21.29879 9.963455 -4.243916 
13.07895 
1 1 1 28  27  14 o 25.44763 7.709971  118.0187       154.8259 426.4207       
244.8675 -87.39735      199.8434 32.21565 12.55704 18.67961 8.949603 13.53604 
15.41994 
1 1 1 28  27  15 o 23.62039 7.564480  107.6041       159.3043 232.3667       
246.2804 17.84940       208.8894 26.33263 11.57184 20.90814 9.745665 5.424488 
15.12896 
1 1 1 28  27  16 o 21.99342 7.274397  40.07747       168.2907 -56.07379      
274.7159 97.83659       212.9201 21.27941 10.26698 22.70743 10.30808 -1.428026 
14.54879 
1 1 1 28  27  17 o 29.19898 8.344051  328.9659       171.9780 162.2142       
265.5970 449.3586       225.6774 24.69151 11.30102 33.70644 12.27924 -9.014929 
16.68810 
1 1 1 28  27  18 o 20.81474 6.969794  -8.690399      161.7057 -2.162462      
215.6557 -17.07490      244.4058 20.57051 9.666735 21.05896 10.04322 
-0.4884472     13.93959 
1 1 1 29  -5  0  o 24.20516 7.543892  148.5962       142.7332 111.5246       
176.4133 218.8596       242.8706 22.45061 9.830276 25.95971 11.44582 -3.509100 
15.08778 
1 1 1 29  -5  1  o 20.11112 6.545859  15.44753       130.1711 87.91992       
153.8403 -167.2287      244.2446 21.22505 9.237271 18.99719 9.277172 2.227859 
13.09172 
1 1 1 29  -5  2  o 38.55485 7.451561  555.0406       150.7003 729.2171       
188.5100 246.6190       250.8488 50.47121 9.240442 26.63848 11.69262 23.83273 
14.90312 
1 1 1 29  -5  3  o 24.54523 7.470626  168.8513       137.2667 131.7882       
178.6043 222.3344       214.5505 23.06971 9.995131 26.02075 11.10578 -2.951040 
14.94125 
1 1 1 29  -5  4  o 27.40711 7.768142  247.7888       136.5651 169.2383       
180.8697 351.9547       208.2831 24.26054 10.26949 30.55368 11.65820 -6.293142 
15.53628 
1 1 1 29  -5  5  o 26.53009 10.32692  228.8205       165.4984 228.8205       
165.4984 0.000000       0.000000 26.53009 10.32692 ?        ?        ? ? 
1 1 1 29  -5  6  o 23.80693 10.59485  146.6813       214.4131 146.6813       
214.4131 0.000000       0.000000 23.80693 10.59485 ?        ?        ? ? 
1 1 1 29  -4  0  o 32.38763 8.381247  385.6237       150.4294 402.8416       
185.5240 352.5773       257.0235 34.63799 11.20374 30.13727 12.46825 4.500725 
16.76249 
1 1 1 29  -4  1  o 25.62993 7.704400  191.6957       145.7023 224.2556       
180.6503 131.0910       246.4621 26.80098 10.68769 24.45888 11.09975 2.342102 
15.40880 
1 1 1 29  -4  2  o 27.30114 7.585211  238.1759       142.4929 337.3181       
175.2324 44.65854       244.8191 31.93705 10.89241 22.66523 10.55921 9.271818 
15.17042 
1 1 1 29  -4  3  o 21.13676 6.500241  78.39830       108.0734 96.45670       
143.2359 54.52961       164.6746 21.51421 9.124505 20.75932 9.260451 0.7548904 
13.00048 
1 1 1 29  -4  4  o 38.86731 7.886508  512.5163       137.0381 537.6348       
170.7455 467.0484       229.7233 42.80529 9.720503 34.92932 12.42175 7.875977 
15.77302 
1 1 1 29  -4  5  o 26.24830 7.544464  216.5653       128.9558 213.7748       
165.9481 220.8190       204.8884 26.21659 10.30972 26.28001 11.01751 
-0.6341934E-01 15.08893 
1 1 1 29  -4  6  o 25.36741 7.744242  187.3219       151.7423 272.7398       
222.3461 112.8553       207.6038 27.66356 11.52995 23.07126 10.34182 4.592302 
15.48848 
1 1 1 29  -4  7  o 19.25434 6.500076  -78.85513      148.9980 -182.8500      
215.9573 15.62094       205.8368 17.78401 8.693706 20.72466 9.665579 -2.940649 
13.00015 
1 1 1 29  -4  8  o 19.39790 9.365336  -97.32043      229.5033 -97.32043      
229.5033 0.000000       0.000000 19.39790 9.365336 ?        ?        ? ? 
1 1 1 29  -3  0  o 26.13823 7.461971  184.1945       141.0999 292.5543       
175.4883 -13.96499      237.3131 30.42394 10.85311 21.85251 10.24373 8.571430 
14.92394 
1 1 1 29  -3  1  o 21.60751 7.043327  -38.19872      142.1490 -160.2909      
177.1885 182.2809       238.1090 16.92801 8.183186 26.28702 11.46601 -9.359009 
14.08665 
1 1 1 29  -3  2  o 21.23377 6.810764  -42.24460      136.9250 -216.3235      
181.6442 186.8498       208.3798 16.29807 7.968675 26.16946 11.04745 -9.871387 
13.62153 
1 1 1 29  -3  3  o 20.01128 6.543204  -18.89174      130.6956 18.43050       
174.9853 -65.98077      196.5520 20.53013 9.326366 19.49243 9.180032 1.037704 
13.08641 
1 1 1 29  -3  4  f 42.42880 6.940982  528.0118       122.4565 614.4874       
167.1047 427.7088       179.9694 47.89497 8.624897 36.96264 10.87750 10.93233 
13.88196 
1 1 1 29  -3  5  o 29.03612 6.888289  237.0925       129.6357 444.3477       
167.4712 -72.75120      204.7664 38.52596 10.19404 19.54628 9.266910 18.97968 
13.77658 
1 1 1 29  -3  6  o 36.01485 8.511894  460.5673       156.5378 343.4121       
217.8383 585.6587       225.0957 30.93407 11.88789 41.09564 12.18555 -10.16157 
17.02379 
1 1 1 29  -3  7  o 23.70959 7.342619  120.4920       135.2583 203.8523       
221.6817 71.05412       170.7184 25.99822 11.19788 21.42095 9.500728 4.577272 
14.68524 
1 1 1 29  -3  8  o 28.48343 8.254119  292.7106       164.3613 184.4878       
246.4922 379.3517       220.5495 25.35996 11.32078 31.60691 12.01507 -6.246950 
16.50824 
1 1 1 29  -3  9  o 30.39837 7.883959  341.2781       142.1425 218.1233       
239.9043 407.8995       176.4490 25.94120 11.41032 34.85553 10.88264 -8.914324 
15.76792 
1 1 1 29  -3  10 o 21.05065 6.994905  10.54719       158.3377 -41.76919      
240.4599 50.59638       210.3878 20.58425 9.851269 21.51705 9.933140 
-0.9327927     13.98981 
1 1 1 29  -2  0  o 32.82244 7.820014  308.2829       125.9901 218.3622       
158.4669 462.7878       207.7208 27.70906 10.26463 37.93581 11.80033 -10.22676 
15.64003 
1 1 1 29  -2  1  f 35.45153 8.072771  398.9136       138.7682 444.1070       
188.3684 345.2794       205.2068 38.17776 11.09445 32.72531 11.72995 5.452454 
16.14554 
1 1 1 29  -2  2  o 27.21397 7.397186  158.6500       131.2363 -9.866617      
175.2424 373.8478       198.0326 20.16372 9.208227 34.26421 11.57938 -14.10048 
14.79437 
1 1 1 29  -2  3  o 27.24022 7.425116  156.0217       124.4857 26.67605       
156.7582 376.8611       204.8295 20.34570 9.056651 34.13474 11.76888 -13.78904 
14.85023 
1 1 1 29  -2  4  o 25.22397 7.324068  149.7287       120.4329 118.2658       
151.0263 204.6772       199.5867 23.28159 9.586596 27.16635 11.07543 -3.884756 
14.64814 
1 1 1 29  -2  5  o 23.06545 7.334861  56.08751       149.4260 120.7674       
216.1118 -3.158169      206.8340 24.70671 10.84873 21.42418 9.874501 3.282528 
14.66972 
1 1 1 29  -2  6  o 35.50486 8.666274  434.6031       157.7534 402.8212       
232.1361 461.8755       215.0377 33.87805 12.44273 37.13166 12.06630 -3.253613 
17.33255 
1 1 1 29  -2  7  o 37.25558 8.478992  473.7808       155.0023 374.7180       
220.8610 569.9296       217.5884 32.77159 12.12246 41.73957 11.85830 -8.967987 
16.95798 
1 1 1 29  -2  8  o 36.30586 8.783648  473.3843       161.2434 548.5263       
239.7605 411.3354       217.8730 38.67062 12.74106 33.94110 12.09443 4.729515 
17.56730 
1 1 1 29  -2  9  o 31.13381 8.548305  345.4565       161.8130 482.1137       
244.9651 239.6702       215.5273 35.08032 12.79189 27.18730 11.34291 7.893017 
17.09661 
1 1 1 29  -2  10 o 25.78067 7.752856  157.4839       140.8262 380.0647       
243.7796 46.00357       172.5253 30.92651 12.38464 20.63484 9.329946 10.29167 
15.50571 
1 1 1 29  -2  11 o 26.30550 7.554252  162.1344       157.3632 -151.0073      
229.7255 438.9717       215.9986 18.73141 9.120155 33.87959 12.04532 -15.14817 
15.10850 
1 1 1 29  -2  12 o 26.45348 10.70499  233.4893       184.8562 233.4893       
184.8562 0.000000       0.000000 26.45348 10.70499 ?        ?        ? ? 
1 1 1 29  -1  0  o 23.91406 7.012615  110.9058       122.3649 189.5035       
158.2229 -6.062729      193.0184 26.67153 10.16568 21.15659 9.662613 5.514936 
14.02523 
1 1 1 29  -1  1  o 32.42874 7.792212  306.9004       122.4031 290.4284       
149.5502 340.3286       213.0446 32.02188 10.02304 32.83561 11.93369 
-0.8137321     15.58442 
1 1 1 29  -1  2  o 20.76597 6.420968  5.969639       112.6666 -118.2996      
157.1131 137.5248       161.6532 16.95401 8.075439 24.57793 9.985119 -7.623913 
12.84194 
1 1 1 29  -1  3  o 16.32821 5.547868  -162.7271      111.0349 -248.8564      
154.8459 -71.56781      159.3032 14.57790 7.180310 18.07852 8.459227 -3.500618 
11.09574 
1 1 1 29  -1  4  o 19.85956 6.498000  -41.23818      127.8732 -17.12787      
165.3242 -77.14183      201.7457 19.71326 8.984557 20.00587 9.390088 
-0.2926102     12.99600 
1 1 1 29  -1  5  o 21.63219 7.026418  -8.819357      146.6120 -17.75425      
213.5520 -0.8533208     201.6416 21.66310 10.00323 21.60129 9.870035 
0.6180763E-01  14.05284 
1 1 1 29  -1  6  o 31.80935 7.901356  293.3880       149.0632 84.25031       
214.6983 488.0229       207.1203 24.01168 10.65153 39.60703 11.67351 -15.59534 
15.80271 
1 1 1 29  -1  7  o 20.09248 6.638793  -46.54935      133.0587 -27.17574      
220.8349 -57.59135      166.7194 21.54894 10.03510 18.63601 8.694312 2.912930 
13.27759 
1 1 1 29  -1  8  o 34.41939 8.733568  401.5367       161.2396 484.5876       
238.5028 331.6274       218.8208 37.21046 12.70760 31.62831 11.98406 5.582157 
17.46714 
1 1 1 29  -1  9  o 24.73414 7.726171  120.6229       155.5374 191.7482       
240.5730 69.53992       203.8794 26.64345 11.57265 22.82483 10.23957 3.818619 
15.45234 
1 1 1 29  -1  10 o 26.30637 7.713728  158.9275       160.6504 -107.9686      
241.6874 370.1947       215.0299 20.26885 9.742609 32.34389 11.96194 -12.07504 
15.42746 
1 1 1 29  -1  11 o 29.58337 7.994088  283.6978       154.0092 88.10935       
219.3623 473.8187       216.2744 23.00784 10.44934 36.15890 12.10095 -13.15106 
15.98818 
1 1 1 29  -1  12 o 20.72843 6.873061  -2.502958      151.4319 -45.64697      
219.2739 36.83637       209.3824 20.07452 9.551485 21.38234 9.885595 -1.307816 
13.74612 
1 1 1 29  -1  13 o 23.44545 7.439246  120.0644       150.2606 205.7232       
232.6028 58.71709       196.8461 25.48902 11.22326 21.40189 9.767696 4.087130 
14.87849 
1 1 1 29  0   0  o 24.66868 7.446769  113.5902       138.2385 162.7302       
171.8889 23.60701       232.6009 25.91378 10.39019 23.42357 10.67058 2.490211 
14.89354 
1 1 1 29  0   1  o 45.82062 6.747498  505.0559       138.1549 189.0400       
173.9834 1044.399       227.2930 27.05144 10.57632 64.58980 8.381913 -37.53836 
13.49500 
1 1 1 29  0   2  o 31.54943 7.874885  277.9674       131.0239 197.8563       
172.6500 386.7655       201.2014 27.43701 10.57486 35.66187 11.67165 -8.224859 
15.74977 
1 1 1 29  0   3  o 27.54647 7.485139  149.8930       133.3186 -14.70393      
177.2170 364.4997       202.3560 20.50189 9.332736 34.59106 11.70510 -14.08917 
14.97028 
1 1 1 29  0   4  o 19.96329 6.654249  -99.81800      143.9494 -44.68135      
212.0285 -146.9616      196.0584 21.29823 9.885352 18.62834 8.910439 2.669889 
13.30850 
1 1 1 29  0   5  o 25.47315 7.539924  131.5442       130.8944 195.5635       
216.5064 94.66455       164.3271 27.73031 11.45616 23.21600 9.806028 4.514313 
15.07985 
1 1 1 29  0   6  o 25.06182 7.465918  129.3542       135.1989 164.6997       
182.9202 86.79668       200.7167 26.11915 10.61816 24.00449 10.49830 2.114662 
14.93184 
1 1 1 29  0   7  o 24.51168 7.394699  108.6363       137.8870 181.1021       
188.0767 24.41999       202.7526 26.69583 10.79998 22.32754 10.10379 4.368294 
14.78940 
1 1 1 29  0   8  f 26.70181 7.648810  169.8217       140.5182 282.2748       
195.3186 49.17231       202.3113 30.57948 11.38225 22.82413 10.22064 7.755346 
15.29762 
1 1 1 29  0   9  o 36.24927 8.395897  418.7213       152.0732 302.9585       
209.1924 548.4587       221.4595 30.99839 11.72563 41.50015 12.01973 -10.50176 
16.79179 
1 1 1 29  0   10 o 25.26940 7.665393  147.5209       145.3102 139.4292       
196.1263 157.3682       216.3596 24.84123 10.61079 25.69757 11.06545 
-0.8563366     15.33079 
1 1 1 29  0   11 o 27.82760 7.812871  221.5412       137.6136 134.1860       
182.4821 336.7248       209.5420 24.12377 10.26749 31.53143 11.77890 -7.407667 
15.62574 
1 1 1 29  0   12 f 20.21499 6.726083  -37.84998      145.7926 -1.932260      
218.4866 -66.68011      195.7464 21.22310 9.921326 19.20688 9.084496 2.016214 
13.45217 
1 1 1 29  0   13 o 19.25606 6.506003  -73.60943      144.7768 -56.84801      
222.0163 -86.01019      190.9649 20.05941 9.567863 18.45271 8.818634 1.606701 
13.01201 
1 1 1 29  0   14 o 26.97538 7.930045  243.9044       147.6684 328.1130       
224.6042 179.7921       195.9794 29.25475 11.81583 24.69601 10.57964 4.558737 
15.86009 
1 1 1 29  1   0  o 22.36962 7.108191  25.31575       137.8855 44.11282       
175.6070 -4.905461      222.6654 22.10328 9.740739 22.63596 10.35488 
-0.5326824     14.21638 
1 1 1 29  1   1  o 22.19256 6.949481  32.92675       127.4758 -9.241783      
170.4669 86.42417       192.0049 20.41056 9.248920 23.97456 10.37490 -3.563993 
13.89896 
1 1 1 29  1   2  o 22.36588 6.951990  23.74960       128.2119 -68.67031      
172.4073 138.0975       191.7728 19.07390 8.876424 25.65785 10.70186 -6.583946 
13.90398 
1 1 1 29  1   3  o 23.35523 7.026318  70.23023       127.6177 167.4437       
168.7340 -59.70497      195.0754 26.31842 10.38123 20.39205 9.471355 5.926374 
14.05264 
1 1 1 29  1   4  o 23.16460 7.173274  62.74763       132.7009 84.22736       
172.3600 31.48340       207.9438 23.30405 9.950442 23.02516 10.33500 0.2788963 
14.34655 
1 1 1 29  1   5  o 23.68531 7.237618  79.08030       130.8641 48.60181       
174.5666 118.1837       197.7297 22.24642 9.759496 25.12420 10.69040 -2.877785 
14.47524 
1 1 1 29  1   6  o 23.41835 7.382669  47.71611       147.3095 55.67171       
218.2936 41.06395       199.6117 23.91677 10.66567 22.91992 10.21071 0.9968548 
14.76534 
1 1 1 29  1   7  o 35.14890 7.930225  383.3358       140.1772 254.0735       
238.1563 451.8559       173.3944 29.91850 12.13276 40.37931 10.21519 -10.46082 
15.86045 
1 1 1 29  1   8  o 29.83122 8.385599  250.9328       155.0131 305.6203       
240.5521 212.0960       202.7153 31.49563 12.40410 28.16681 11.28766 3.328821 
16.77120 
1 1 1 29  1   9  o 17.46305 6.075472  -301.4226      151.3244 -189.0819      
231.2240 -385.5862      200.1365 19.43910 9.388618 15.48700 7.713579 3.952105 
12.15094 
1 1 1 29  1   10 o 29.16497 7.919515  251.1477       139.6708 175.6925       
232.1665 293.9460       174.8510 26.90720 11.52057 31.42274 10.86974 -4.515537 
15.83903 
1 1 1 29  1   11 o 25.20445 7.470366  72.05383       145.9230 333.7305       
219.7684 -134.2821      195.1507 31.92473 12.03531 18.48417 8.853061 13.44056 
14.94073 
1 1 1 29  1   12 o 21.74446 7.026375  9.450332       146.8179 -104.7193      
217.8707 104.4244       198.7129 19.76747 9.440378 23.72145 10.40956 -3.953989 
14.05275 
1 1 1 29  1   13 o 27.72556 7.864483  236.3978       151.3441 81.11250       
232.8336 350.0105       199.1563 23.44715 10.67987 32.00397 11.54732 -8.556818 
15.72897 
1 1 1 29  1   14 o 19.60835 6.473296  -24.69382      132.0633 -60.36631      
180.2510 16.64608       194.0420 18.54418 8.750303 20.67253 9.541825 -2.128353 
12.94659 
1 1 1 29  1   15 o 32.92507 8.300790  399.7809       143.8719 373.9916       
189.4281 434.9378       221.1717 32.38641 11.30311 33.46374 12.15945 -1.077335 
16.60158 
1 1 1 29  2   0  o 25.33848 7.359228  133.2027       120.6699 117.4930       
148.8881 163.2763       206.0005 23.83820 9.623477 26.83876 11.13650 -3.000566 
14.71846 
1 1 1 29  2   1  o 24.10504 7.217101  99.72207       126.2256 113.4874       
170.1001 82.85269       188.3047 24.34234 10.11133 23.86774 10.30083 0.4745941 
14.43420 
1 1 1 29  2   2  o 26.15970 7.503807  133.4939       130.8396 43.67374       
173.7567 251.1181       198.8397 22.18508 9.734679 30.13433 11.42210 -7.949245 
15.00761 
1 1 1 29  2   3  o 33.46699 8.461826  333.9513       152.5273 284.1199       
224.2111 376.8791       208.1011 31.40371 12.06279 35.53027 11.87009 -4.126562 
16.92365 
1 1 1 29  2   4  o 25.05765 7.425172  119.5992       130.7996 115.5402       
174.5828 124.7930       197.4843 24.59732 10.23212 25.51798 10.76273 
-0.9206657     14.85034 
1 1 1 29  2   5  o 30.15101 8.172691  248.7663       148.4223 174.6810       
216.6821 314.2523       203.7190 27.52076 11.42066 32.78127 11.69359 -5.260509 
16.34538 
1 1 1 29  2   6  o 27.80601 8.082833  179.9963       151.3671 244.1039       
225.8973 127.7575       203.9169 29.90079 11.94278 25.71123 10.89490 4.189562 
16.16567 
1 1 1 29  2   7  o 22.63729 7.298646  -6.328483      150.9765 55.14875       
235.9629 -48.94136      196.4523 24.55600 11.01602 20.71859 9.577494 3.837410 
14.59729 
1 1 1 29  2   8  o 28.08789 8.055919  197.4088       152.5965 101.8534       
235.8346 266.2278       200.1401 25.63328 11.29336 30.54251 11.49136 -4.909227 
16.11184 
1 1 1 29  2   9  o 19.90205 6.706975  -137.4077      153.0174 -111.3731      
235.4272 -156.4503      201.3463 21.03776 9.956290 18.76633 8.989234 2.271437 
13.41395 
1 1 1 29  2   10 o 20.27046 6.675541  -107.4175      148.1645 -334.1061      
228.2782 57.59329       194.7627 17.49822 8.622881 23.04269 10.19300 -5.544468 
13.35108 
1 1 1 29  2   11 o 27.71051 7.455512  82.94585       129.4742 473.5188       
229.7062 -98.91938      156.7460 38.08625 12.47106 17.33477 8.173823 20.75148 
14.91102 
1 1 1 29  2   12 o 23.66369 7.372464  61.26371       144.5536 193.5813       
217.1864 -43.96811      193.6855 27.11509 11.35436 20.21228 9.406986 6.902813 
14.74493 
1 1 1 29  2   13 o 34.12976 7.877024  383.5100       138.8846 259.4888       
226.1376 458.6211       175.9855 28.85144 11.78018 39.40808 10.46027 -10.55664 
15.75405 
1 1 1 29  2   14 o 20.76905 6.900477  -34.30502      154.0707 -60.84266      
220.3706 -8.930022      215.4892 20.36397 9.635168 21.17414 9.880784 
-0.8101730     13.80095 
1 1 1 29  2   15 o 22.94529 7.460917  71.27242       164.5255 28.73487       
224.3560 120.7604       241.9921 21.81048 10.14062 24.08010 10.94664 -2.269617 
14.92183 
1 1 1 29  2   16 o 29.64958 8.482790  328.2908       167.1007 208.2398       
225.8711 473.4357       248.3584 25.65489 11.17909 33.64428 12.76162 -7.989386 
16.96558 
1 1 1 29  3   0  o 29.14449 7.390503  226.7010       114.8451 245.3354       
170.3765 211.1837       155.4753 29.95698 10.69314 28.33200 10.20465 1.624975 
14.78101 
1 1 1 29  3   1  o 21.35683 6.781696  5.301796       126.1671 7.345882       
169.0101 2.728863       189.6170 20.95833 9.364507 21.75533 9.811810 
-0.7970066     13.56339 
1 1 1 29  3   2  o 35.71360 7.933116  367.3900       132.8459 384.8993       
174.3899 343.1806       205.0592 37.20244 10.63108 34.22476 11.77784 2.977680 
15.86623 
1 1 1 29  3   3  o 22.55542 7.127233  -3.105720      143.9978 -135.5399      
209.9731 114.4825       197.8542 19.78602 9.382186 25.32483 10.73147 -5.538801 
14.25447 
1 1 1 29  3   4  o 22.79253 6.885247  22.28864       131.1860 180.7972       
172.2701 -196.5164      202.4008 27.20825 10.54734 18.37682 8.853256 8.831432 
13.77049 
1 1 1 29  3   5  o 27.89636 7.317179  106.1059       147.4073 -244.8036      
216.8305 407.6451       200.9993 18.37259 8.920313 37.42013 11.60140 -19.04753 
14.63436 
1 1 1 29  3   6  f 24.84935 7.619070  80.50418       150.4511 -6.456562      
219.7193 157.2718       206.4408 22.79813 10.38170 26.90058 11.15442 -4.102448 
15.23814 
1 1 1 29  3   7  o 28.69660 8.067378  204.6881       152.9192 81.51105       
237.1098 292.4070       200.0928 25.41846 11.24496 31.97473 11.57071 -6.556269 
16.13476 
1 1 1 29  3   8  o 27.28006 8.043005  143.7207       154.5889 281.7354       
237.2110 41.83315       203.8135 31.28816 12.31916 23.27195 10.34398 8.016218 
16.08601 
1 1 1 29  3   9  o 24.18669 7.590070  53.80493       157.3869 -49.55613      
239.6360 132.2106       208.7119 22.46593 10.45882 25.90745 11.00226 -3.441515 
15.18014 
1 1 1 29  3   10 o 32.08386 6.966766  284.4192       134.2145 -54.06403      
219.0869 487.7600       169.8087 21.49980 10.00568 42.66792 9.696892 -21.16812 
13.93353 
1 1 1 29  3   11 o 22.44646 7.169570  10.80084       141.9843 90.67886       
219.5378 -46.63358      186.1580 24.74832 10.90028 20.14460 9.316369 4.603718 
14.33914 
1 1 1 29  3   12 o 26.84864 7.645997  124.8011       143.2752 359.1109       
219.1986 -49.97443      189.3140 33.60864 12.11561 20.08865 9.330439 13.52000 
15.29199 
1 1 1 29  3   13 o 32.30363 8.121617  327.9376       148.3538 192.5393       
223.8798 433.9360       198.0878 27.22103 11.46919 37.38623 11.50218 -10.16521 
16.24323 
1 1 1 29  3   14 o 28.56491 8.195601  247.0275       152.9837 270.4678       
229.4254 228.2606       205.2850 29.25953 11.89266 27.87028 11.27990 1.389252 
16.39120 
1 1 1 29  3   15 o 22.59108 7.351527  41.15588       160.8556 29.55253       
218.5521 54.87103       237.6094 22.08341 10.16746 23.09875 10.62086 -1.015345 
14.70305 
1 1 1 29  3   16 o 24.08082 7.724317  121.1883       170.2737 88.71341       
244.4769 151.7822       237.2907 23.44475 10.77713 24.71688 11.06859 -1.272133 
15.44863 
1 1 1 29  3   17 o 21.08370 7.127521  -50.22836      183.3400 -219.5528      
288.7449 64.15244       237.3182 19.71764 9.712110 22.44976 10.43461 -2.732126 
14.25504 
1 1 1 29  4   0  o 23.38346 6.972704  88.12865       116.8081 112.3823       
149.8219 50.53463       186.5288 23.79939 9.634702 22.96753 10.08201 0.8318558 
13.94541 
1 1 1 29  4   1  o 29.59087 7.486824  196.1563       127.1089 51.89756       
167.5220 391.9026       195.1405 22.30474 9.672116 36.87701 11.43067 -14.57226 
14.97365 
1 1 1 29  4   2  o 27.87890 7.466959  188.1929       128.7210 280.7486       
168.7543 59.41874       199.0526 31.96879 10.68918 23.78901 10.42897 8.179779 
14.93392 
1 1 1 29  4   3  o 31.49935 8.006225  244.4957       145.0203 437.3241       
216.4674 87.47725       195.3359 38.49187 12.06086 24.50682 10.53253 13.98505 
16.01245 
1 1 1 29  4   4  o 20.65286 6.659472  -39.55785      127.6062 -92.58729      
171.2351 26.67072       191.3626 18.68812 8.749802 22.61760 10.04167 -3.929474 
13.31894 
1 1 1 29  4   5  o 33.90510 6.827023  310.6596       134.9126 -54.82771      
216.0500 544.2721       172.7293 21.71909 10.04147 46.09111 9.252129 -24.37202 
13.65405 
1 1 1 29  4   6  o 24.59295 7.636231  69.05810       150.8869 67.35565       
228.0559 70.38354       201.2262 24.99184 11.04578 24.19407 10.54698 0.7977715 
15.27246 
1 1 1 29  4   7  o 23.37873 7.309939  14.00344       132.4296 167.9172       
235.2157 -57.42714      160.2395 27.89152 11.75404 18.86595 8.693873 9.025568 
14.61988 
1 1 1 29  4   8  o 36.66726 8.105596  393.2647       137.4128 360.1377       
238.5080 409.7239       168.1190 34.45416 12.61643 38.88036 10.17980 -4.426197 
16.21119 
1 1 1 29  4   9  o 27.72458 8.021681  139.3724       151.8902 332.9652       
238.8112 7.856230       196.8338 33.26509 12.54435 22.18407 10.00143 11.08103 
16.04336 
1 1 1 29  4   10 o 21.92016 6.874119  -29.55608      140.6234 -279.8732      
217.9127 149.0737       184.0832 17.84867 8.727098 25.99166 10.62317 -8.142984 
13.74824 
1 1 1 29  4   11 o 24.34091 7.507634  85.20422       144.1126 65.63818       
224.1197 98.99714       188.1727 24.40611 10.84760 24.27570 10.38209 0.1304150 
15.01527 
1 1 1 29  4   12 o 31.19231 8.248239  267.6992       146.9140 407.1054       
228.6070 169.6173       191.7534 35.77980 12.42383 26.60482 10.85276 9.174988 
16.49648 
1 1 1 29  4   13 f 22.86779 7.361298  17.85412       156.1514 -21.25992      
221.3191 56.62528       220.3469 22.01275 10.17187 23.72283 10.64368 -1.710079 
14.72260 
1 1 1 29  4   14 o 24.47796 7.598214  70.21278       159.1921 226.3790       
220.6789 -99.22590      229.8653 28.29556 11.60910 20.66036 9.806129 7.635193 
15.19643 
1 1 1 29  4   15 o 22.78387 7.377064  31.01734       160.4207 83.04531       
219.6452 -28.46624      234.8561 23.76162 10.64474 21.80614 10.21635 1.955481 
14.75413 
1 1 1 29  4   16 o 30.88574 8.887476  355.1286       180.9629 345.7905       
272.1223 362.5323       242.3053 30.36770 12.71249 31.40378 12.42342 -1.036074 
17.77495 
1 1 1 29  4   17 o 24.41056 7.946033  120.6982       186.0330 170.3737       
289.3018 85.67523       242.9163 25.52230 11.72855 23.29882 10.72375 2.223478 
15.89207 
1 1 1 29  4   18 o 23.34844 7.753133  80.82437       192.8301 118.2519       
294.3228 52.67680       255.2401 24.17666 11.34664 22.52021 10.56873 1.656456 
15.50627 
1 1 1 29  5   0  o 27.19770 7.508300  159.5514       127.7842 65.20734       
171.3880 277.6441       191.7498 22.87909 9.850126 31.51630 11.33461 -8.637207 
15.01660 
1 1 1 29  5   1  o 41.89611 7.201359  461.0952       123.1268 421.4339       
157.0071 524.4471       198.4338 40.19355 9.452365 43.59867 10.86697 -3.405121 
14.40272 
1 1 1 29  5   2  o 25.31614 7.659471  58.99400       148.1759 238.5166       
229.1123 -70.08558      194.2753 30.21447 12.04017 20.41781 9.471232 9.796659 
15.31894 
1 1 1 29  5   3  o 19.14762 6.434765  -151.3382      141.0718 -122.3518      
206.0272 -176.9244      193.5667 19.95530 9.398222 18.33993 8.791943 1.615370 
12.86953 
1 1 1 29  5   4  o 21.08481 6.779160  -29.37397      125.8595 29.66709       
210.6591 -62.14756      156.9513 23.53212 10.48628 18.63750 8.594530 4.894619 
13.55832 
1 1 1 29  5   5  o 21.54802 6.968194  -103.6339      146.6560 113.7796       
219.7605 -278.2029      196.9200 26.13546 11.19995 16.96057 8.293615 9.174889 
13.93639 
1 1 1 29  5   6  o 27.01821 7.755265  160.3860       137.7331 161.0170       
193.4040 159.7366       196.1941 27.01185 10.94197 27.02456 10.99317 
-0.1271057E-01 15.51053 
1 1 1 29  5   7  o 24.28282 7.532936  58.13147       149.6230 -18.79580      
233.3152 111.8672       194.9999 23.23144 10.61574 25.33420 10.69049 -2.102766 
15.06587 
1 1 1 29  5   8  f 28.38507 8.190675  180.2009       152.5301 261.0785       
237.4499 123.3826       199.0223 31.00009 12.28739 25.77006 10.83369 5.230028 
16.38135 
1 1 1 29  5   9  o 35.21622 8.228503  365.3641       145.1176 289.0671       
224.8406 419.8409       189.9882 31.88960 12.12880 38.54284 11.12318 -6.653238 
16.45701 
1 1 1 29  5   10 o 17.00994 5.914125  -310.7113      142.7628 -205.5421      
217.7247 -390.0324      189.0852 18.97087 9.149953 15.04900 7.495725 3.921879 
11.82825 
1 1 1 29  5   11 o 27.12312 7.516025  144.3325       144.9536 -98.00497      
223.4031 320.5381       190.4973 20.96413 9.847966 33.28210 11.35694 -12.31798 
15.03205 
1 1 1 29  5   12 o 20.73745 6.878621  -88.87933      151.1134 -32.20953      
219.7103 -139.7522      208.1698 22.02445 10.16107 19.45045 9.274389 2.574001 
13.75724 
1 1 1 29  5   13 o 24.57220 7.585728  51.02714       158.6682 223.5728       
219.1983 -138.8941      229.9704 28.80307 11.65652 20.34132 9.710749 8.461744 
15.17146 
1 1 1 29  5   14 o 24.64646 7.732387  85.20580       159.6935 40.69989       
222.8450 132.1880       228.9606 23.41466 10.59434 25.87827 11.26585 -2.463610 
15.46477 
1 1 1 29  5   15 o 33.61413 7.910333  302.8470       169.1340 652.2246       
235.5349 -69.10139      243.0240 45.60033 12.10012 21.62793 10.19218 23.97240 
15.82067 
1 1 1 29  5   16 o 31.87225 8.276102  302.5577       187.2158 -129.6864      
293.1447 600.2941       243.2952 21.92966 10.58689 41.81485 12.72373 -19.88518 
16.55220 
1 1 1 29  5   17 o 20.89212 7.090923  -74.70139      166.7998 -33.23924      
292.5476 -94.67243      203.0351 22.72149 10.87216 19.06276 9.106089 3.658733 
14.18185 
1 1 1 29  5   18 o 24.30529 7.655136  135.7421       168.7486 -74.50675      
291.6655 241.5344       206.8927 21.63447 10.46535 26.97611 11.17501 -5.341639 
15.31027 
1 1 1 29  5   19 o 32.07045 13.19823  477.5336       286.0987 477.5336       
286.0987 0.000000       0.000000 32.07045 13.19823 ?        ?        ? ? 
1 1 1 29  6   0  o 29.40759 7.587014  211.1624       126.0230 110.7214       
168.9391 337.1782       189.2287 24.41954 10.10594 34.39563 11.31906 -9.976086 
15.17403 
1 1 1 29  6   1  o 36.88673 6.724793  291.9734       127.2176 25.66750       
162.8606 708.8289       203.7597 21.36529 9.399417 52.40817 9.619892 -31.04289 
13.44959 
1 1 1 29  6   2  o 26.81676 7.028853  127.8817       129.4570 323.7379       
170.0773 -141.8911      199.6075 34.35112 10.67617 19.28241 9.145411 15.06870 
14.05771 
1 1 1 29  6   3  o 20.37251 6.715090  -94.29330      141.2640 -36.01920      
206.1404 -145.8894      193.9696 21.80551 9.970087 18.93952 8.998172 2.865992 
13.43018 
1 1 1 29  6   4  o 25.39622 7.402259  121.5337       129.1634 54.01168       
206.5621 164.8855       165.5126 24.10530 10.59536 26.68714 10.33983 -2.581841 
14.80452 
1 1 1 29  6   5  o 28.79994 7.785562  168.6684       150.5982 -58.61376      
222.6227 360.4286       204.4872 22.06572 10.19842 35.53416 11.76657 -13.46844 
15.57112 
1 1 1 29  6   6  o 19.81545 6.658545  -157.4972      151.8410 -257.4972      
235.4952 -86.34263      198.6476 19.25950 9.333808 20.37140 9.498678 -1.111902 
13.31709 
1 1 1 29  6   7  o 25.95715 7.850868  109.6950       152.3692 73.70349       
228.1484 138.6730       204.7163 25.33905 11.13645 26.57524 11.06905 -1.236193 
15.70174 
1 1 1 29  6   8  o 29.77805 7.189523  152.5769       138.0444 -141.5834      
192.9238 461.1980       197.6090 18.94593 8.988268 40.61016 11.22355 -21.66423 
14.37905 
1 1 1 29  6   9  o 23.78161 7.289022  56.62207       139.1474 -51.80442      
213.7992 136.2996       183.2763 21.71719 10.02089 25.84603 10.58778 -4.128845 
14.57804 
1 1 1 29  6   10 f 23.53728 7.347065  46.78138       140.7319 68.45634       
215.1386 30.56928       186.0625 24.59335 10.81146 22.48120 9.951366 2.112148 
14.69413 
1 1 1 29  6   11 o 20.82238 6.783936  -46.93402      126.9959 30.74469       
223.9371 -83.75955      154.1877 23.81281 10.70548 17.83196 8.335464 5.980846 
13.56787 
1 1 1 29  6   12 f 29.56818 8.156952  209.3106       158.2525 40.16946       
223.4853 379.4164       224.1216 23.90732 10.72301 35.22903 12.29474 -11.32172 
16.31390 
1 1 1 29  6   13 o 32.58764 8.728640  319.2124       166.8611 244.2137       
234.4971 396.1351       237.4858 29.79218 12.05659 35.38310 12.62518 -5.590919 
17.45728 
1 1 1 29  6   14 o 27.45763 8.170476  177.5341       160.4164 136.9885       
221.9743 221.8591       232.0896 26.09294 11.22145 28.82233 11.87879 -2.729399 
16.34095 
1 1 1 29  6   15 o 22.52926 7.377621  -32.73655      166.9118 81.53842       
241.3934 -137.4232      231.0445 24.82990 11.14040 20.22862 9.675162 4.601276 
14.75524 
1 1 1 29  6   16 o 27.50066 8.588493  187.2616       194.6852 167.9715       
289.5594 203.1758       263.0050 27.22977 12.20962 27.77155 12.08197 
-0.5417767     17.17699 
1 1 1 29  6   17 o 25.52914 8.064842  35.55583       188.6586 384.4572       
283.1443 -243.0109      253.0004 31.93427 13.13397 19.12401 9.362983 12.81026 
16.12968 
1 1 1 29  6   18 o 25.84072 8.200109  164.7376       192.8261 -3.540628      
291.7987 295.1862       256.9148 22.97486 10.96095 28.70658 12.19937 -5.731712 
16.40022 
1 1 1 29  6   19 o 22.77835 7.562762  52.39966       185.0212 53.97699       
269.0619 50.98471       254.8364 22.93219 10.78267 22.62451 10.60734 0.3076839 
15.12552 
1 1 1 29  6   20 o 17.90092 8.919237  -336.4920      268.8363 -336.4920      
268.8363 0.000000       0.000000 17.90092 8.919237 ?        ?        ? ? 
1 1 1 29  7   0  o 22.78849 6.729766  71.72427       113.3241 144.9794       
145.4836 -41.30619      180.7144 25.21161 9.709344 20.36536 9.321354 4.846247 
13.45953 
1 1 1 29  7   1  o 25.72909 6.718393  107.5727       121.1924 298.5678       
156.4139 -179.3298      191.7042 33.27131 10.21779 18.18688 8.726048 15.08443 
13.43679 
1 1 1 29  7   2  o 32.46380 8.199429  283.5350       143.2545 384.1641       
213.5866 201.2516       193.1382 36.34980 12.02552 28.57779 11.14941 7.772015 
16.39886 
1 1 1 29  7   3  o 20.36461 6.680148  -89.46125      139.4435 -194.1470      
204.7728 1.058622       190.4147 18.70309 8.984585 22.02613 9.888111 -3.323040 
13.36030 
1 1 1 29  7   4  o 21.69209 6.951165  -57.77943      140.8723 92.84654       
205.6999 -190.8242      193.3228 25.22474 10.82357 18.15944 8.724969 7.065308 
13.90233 
1 1 1 29  7   5  o 22.37950 7.095711  -28.54813      146.9623 -218.0103      
227.8822 106.3569       192.2929 19.51225 9.398738 25.24675 10.63298 -5.734503 
14.19142 
1 1 1 29  7   6  o 26.66649 7.817550  92.97081       148.3429 283.7332       
231.5114 -39.90641      193.2196 32.14467 12.28358 21.18830 9.673163 10.95637 
15.63510 
1 1 1 29  7   7  o 20.24562 6.771010  -137.7545      148.7102 -74.58449      
231.0667 -182.4194      194.2965 22.13302 10.29081 18.35822 8.802591 3.774803 
13.54202 
1 1 1 29  7   8  o 20.55878 6.733499  -80.25943      140.6204 -193.9279      
217.6747 1.154632       184.2204 19.36695 9.293723 21.75062 9.746114 -2.383665 
13.46700 
1 1 1 29  7   9  o 32.30610 8.207644  290.6105       142.2521 266.4080       
216.7072 308.9352       188.5654 31.30875 11.90755 33.30345 11.29920 -1.994703 
16.41529 
1 1 1 29  7   10 o 28.31139 7.846965  188.9916       143.2913 68.19614       
218.8835 279.5847       189.5550 24.80324 10.90443 31.81954 11.28684 -7.016304 
15.69393 
1 1 1 29  7   11 o 23.01365 7.179967  41.63858       134.4438 38.33995       
177.7485 46.04879       205.5267 22.36610 9.829782 23.66119 10.46819 -1.295095 
14.35993 
1 1 1 29  7   12 f 35.96556 7.942536  369.7473       133.2865 336.2359       
185.9110 405.1892       191.1910 34.30550 11.21939 37.62563 11.24548 -3.320129 
15.88507 
1 1 1 29  7   13 o 27.14499 8.025854  147.3099       159.0943 264.2982       
222.1964 24.23998       227.8987 30.62920 11.95691 23.66078 10.70932 6.968418 
16.05171 
1 1 1 29  7   14 o 24.64211 7.712064  68.42502       160.3209 140.3508       
223.8587 -7.310279      229.7105 26.39079 11.30645 22.89343 10.49133 3.497362 
15.42413 
1 1 1 29  7   15 o 36.34035 9.442627  448.1808       187.4263 480.1564       
297.0316 427.0269       241.5958 36.58440 13.93296 36.09631 12.74854 0.4880867 
18.88525 
1 1 1 29  7   16 o 27.24524 8.355042  158.7201       168.1039 278.8279       
288.6492 97.07553       206.7912 30.19745 12.88479 24.29302 10.63998 5.904430 
16.71008 
1 1 1 29  7   17 o 19.12297 6.652450  -294.5040      186.0007 -333.8348      
288.0638 -266.3814      243.5847 19.57800 9.657009 18.66795 9.152186 0.9100475 
13.30490 
1 1 1 29  7   18 o 28.94447 8.840321  253.7068       195.1421 456.4456       
306.1180 114.9202       253.2760 33.11879 13.64472 24.77015 11.24396 8.348644 
17.68064 
1 1 1 29  7   19 o 20.40501 7.014979  -141.2267      190.8428 -91.77286      
271.2934 -189.6721      268.5132 21.05546 10.16934 19.75455 9.665622 1.300915 
14.02996 
1 1 1 29  7   20 o 24.96283 7.996200  175.9770       181.7629 146.8011       
272.2277 199.4467       244.1598 24.49734 11.30519 25.42833 11.31147 
-0.9309902     15.99240 
1 1 1 29  8   0  o 30.94313 12.15189  262.1901       230.2580 0.000000       
0.000000 262.1901       230.2580 ?        ?        30.94313 12.15189 ? ? 
1 1 1 29  8   1  o 25.18046 9.978724  136.1515       156.5758 136.1515       
156.5758 0.000000       0.000000 25.18046 9.978724 ?        ?        ? ? 
1 1 1 29  8   2  o 30.55070 8.086104  242.2746       140.4635 308.5813       
208.6597 187.3275       189.9470 33.09158 11.83151 28.00983 11.02523 5.081757 
16.17221 
1 1 1 29  8   3  o 19.10928 6.416543  -151.2643      140.1540 -178.8855      
202.5650 -125.8982      194.1199 18.85653 9.028577 19.36203 9.119916 
-0.5055008     12.83309 
1 1 1 29  8   4  o 27.78188 7.976570  170.6239       145.2271 148.8582       
220.2848 187.3568       193.1452 27.38598 11.44928 28.17777 11.10930 
-0.7917919     15.95314 
1 1 1 29  8   5  o 24.43358 7.419546  53.08649       146.2524 -115.2889      
225.5851 175.1763       192.0927 21.14170 9.924329 27.72545 11.03206 -6.583748 
14.83909 
1 1 1 29  8   6  o 29.58430 7.969580  149.1363       149.5297 423.1476       
235.6272 -35.61817      193.4812 37.83484 12.63076 21.33376 9.722171 16.50109 
15.93916 
1 1 1 29  8   7  o 34.44599 8.452606  339.8733       152.9035 261.0863       
236.5200 396.4420       200.4142 31.39443 12.31976 37.49754 11.57625 -6.103113 
16.90521 
1 1 1 29  8   8  o 23.67609 7.227590  -41.01608      138.8967 243.0933       
222.6046 -222.1473      177.7411 30.60910 11.96403 16.74308 8.112590 13.86602 
14.45518 
1 1 1 29  8   9  o 23.42004 7.297743  33.54331       138.5687 97.37199       
212.0127 -14.05608      183.0858 25.53387 10.97340 21.30620 9.623555 4.227667 
14.59549 
1 1 1 29  8   10 o 18.26916 6.227623  -218.2807      138.5248 -103.7011      
214.5448 -300.1978      181.4060 20.75042 9.729410 15.78789 7.776359 4.962526 
12.45525 
1 1 1 29  8   11 o 55.14671 7.529925  803.6991       169.2546 555.3575       
228.8792 1103.391       251.4314 43.68775 12.08111 66.60567 8.991441 -22.91793 
15.05985 
1 1 1 29  8   12 f 19.50332 6.627035  -192.3072      157.8433 -164.9258      
217.4377 -222.8105      229.4987 19.67940 9.406115 19.32725 9.337847 0.3521538 
13.25407 
1 1 1 29  8   13 o 26.94824 8.091803  145.4698       159.7103 110.7551       
221.5963 182.9939       230.3891 25.78639 11.15218 28.11008 11.72766 -2.323685 
16.18361 
1 1 1 29  8   14 o 28.74412 8.431144  204.6542       168.8069 141.0120       
245.1018 262.0825       232.8288 26.97653 11.69864 30.51170 12.14408 -3.535168 
16.86229 
1 1 1 29  8   15 o 39.86780 8.803300  479.5497       175.0961 270.9398       
233.3776 748.2037       264.8429 30.56689 12.16079 49.16871 12.73215 -18.60182 
17.60660 
1 1 1 29  8   16 o 32.94050 8.842920  345.6983       176.2971 456.7311       
241.8941 219.8978       257.4783 37.13625 12.79082 28.74475 12.21408 8.391497 
17.68584 
1 1 1 29  8   17 o 24.67892 8.010676  32.49203       188.2557 178.5873       
290.4176 -73.38548      247.2332 27.62834 12.31199 21.72951 10.25176 5.898832 
16.02135 
1 1 1 29  8   18 o 30.06494 8.715755  260.8475       170.5860 480.8693       
287.6237 141.4590       211.8717 35.02705 13.61820 25.10283 10.88128 9.924221 
17.43151 
1 1 1 29  8   19 o 19.26866 6.590943  -127.6567      156.1945 -212.3774      
274.1611 -86.94363      190.0546 19.89212 9.740830 18.64520 8.881349 1.246922 
13.18189 
1 1 1 29  8   20 o 22.08191 7.192623  59.39708       152.2574 -35.07050      
273.8404 101.6695       183.1828 21.73996 10.43042 22.42387 9.906646 
-0.6839085     14.38525 
1 1 1 29  8   21 f 29.29726 12.58054  370.6570       278.2688 370.6570       
278.2688 0.000000       0.000000 29.29726 12.58054 ?        ?        ? ? 
1 1 1 29  9   0  o 20.54536 6.719316  -63.39140      124.9776 -105.4604      
150.1810 31.35973       225.3855 17.12572 8.053436 23.96499 10.75820 -6.839277 
13.43863 
1 1 1 29  9   1  o 21.51473 6.702831  1.964409       126.8625 109.9376       
150.8811 -258.5257      234.3540 23.90236 9.671864 19.12711 9.282610 4.775244 
13.40566 
1 1 1 29  9   2  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 29  9   3  o 38.27988 7.802877  412.4884       144.7089 223.1522       
210.6038 581.8292       199.1728 29.72276 11.63308 46.83699 10.40245 -17.11423 
15.60575 
1 1 1 29  9   4  o 32.59124 8.266909  292.6598       150.0203 184.2831       
227.6929 375.7990       199.4273 28.68549 11.78449 36.49699 11.59711 -7.811501 
16.53382 
1 1 1 29  9   5  o 21.11139 6.917304  -69.80191      144.4574 -92.65122      
224.6933 -53.70360      188.6009 21.54957 10.06901 20.67321 9.487432 0.8763657 
13.83461 
1 1 1 29  9   6  o 26.12131 7.807289  116.2458       146.0043 120.1107       
225.9317 113.4743       191.3203 26.71980 11.40010 25.52282 10.67018 1.196989 
15.61458 
1 1 1 29  9   7  o 22.71413 7.220152  0.3080492      144.4049 -44.84084      
219.5331 34.74146       191.7196 22.32284 10.24090 23.10542 10.18069 
-0.7825794     14.44030 
1 1 1 29  9   8  o 19.67278 6.459437  -73.47922      120.0715 -40.70675      
209.2616 -89.56479      146.6065 21.94710 10.03918 17.39847 8.130936 4.548637 
12.91887 
1 1 1 29  9   9  o 25.68906 6.429771  90.50792       122.7448 -375.9298      
215.4076 314.7834       149.3672 16.78808 8.297633 34.59003 9.824311 -17.80195 
12.85954 
1 1 1 29  9   10 o 21.85730 6.663698  36.05563       115.1829 -54.87538      
177.1169 102.6950       151.6245 19.98757 9.181689 23.72702 9.660024 -3.739452 
13.32740 
1 1 1 29  9   11 f 28.71380 8.019170  197.5626       141.4497 245.4696       
217.7785 162.6047       186.0320 30.47558 11.84964 26.95201 10.80807 3.523575 
16.03834 
1 1 1 29  9   12 o 21.58887 7.077795  -71.07516      153.6472 -144.5183      
214.2564 6.679789       220.4561 19.91475 9.459381 23.26300 10.53094 -3.348255 
14.15559 
1 1 1 29  9   13 o 26.04902 7.941406  111.8415       159.6834 160.5537       
219.4946 57.07280       232.7399 27.31539 11.42483 24.78264 11.03345 2.532747 
15.88281 
1 1 1 29  9   14 o 23.82306 7.513997  45.21895       153.3098 -70.29218      
263.2812 104.4805       188.5796 23.02658 10.79330 24.61955 10.45683 -1.592972 
15.02799 
1 1 1 29  9   15 o 23.92591 7.835406  -13.37872      186.3293 -32.65074      
280.4373 1.853490       249.3180 24.07659 11.24942 23.77524 10.90985 0.3013515 
15.67081 
1 1 1 29  9   16 o 34.85839 9.117865  389.1810       170.6813 431.3217       
303.2841 369.6478       206.4838 35.00559 13.88300 34.71120 11.82388 0.2943916 
18.23573 
1 1 1 29  9   17 f 24.87145 7.985289  46.58206       187.8416 -119.0367      
280.0072 182.1069       253.2934 22.24336 10.64175 27.49954 11.90851 -5.256184 
15.97058 
1 1 1 29  9   18 o 22.05839 7.226036  -58.13513      164.2787 -242.1612      
227.4089 142.7117       237.5748 18.29688 8.939019 25.81990 11.35589 -7.523022 
14.45207 
1 1 1 29  9   19 o 24.61807 7.812716  110.6115       172.9912 -11.24777      
278.5009 187.1648       220.7392 23.01064 10.86339 26.22550 11.23124 -3.214853 
15.62543 
1 1 1 29  9   20 o 22.48238 7.460991  -21.58046      174.3074 220.0461       
277.1048 -179.7858      224.2241 26.57246 11.92879 18.39230 8.964904 8.180162 
14.92198 
1 1 1 29  9   21 o 16.34362 5.818492  -435.4940      171.3270 -374.3732      
275.1832 -474.1822      218.9353 17.82363 8.900752 14.86362 7.496400 2.960007 
11.63698 
1 1 1 29  10  0  o 23.09713 6.960428  65.06899       125.2451 145.3783       
150.6272 -114.8402      225.4483 25.30750 9.851817 20.88676 9.835239 4.420738 
13.92086 
1 1 1 29  10  1  o 26.16565 7.436045  136.7122       114.7481 108.0336       
135.6814 208.7441       215.0325 23.31196 9.273053 29.01935 11.62710 -5.707390 
14.87209 
1 1 1 29  10  2  o 21.94723 6.930899  -11.09135      135.1782 -119.8348      
195.3822 88.75670       187.2205 19.49314 9.172276 24.40131 10.39321 -4.908161 
13.86180 
1 1 1 29  10  3  o 21.10547 9.608931  -31.80239      188.0149 0.000000       
0.000000 -31.80239      188.0149 ?        ?        21.10547 9.608931 ? ? 
1 1 1 29  10  4  o 28.96832 11.71504  196.6947       221.1836 196.6947       
221.1836 0.000000       0.000000 28.96832 11.71504 ?        ?        ? ? 
1 1 1 29  10  5  o 21.91624 7.122149  -50.22235      149.5932 -15.50913      
220.1884 -79.97997      203.8666 22.98935 10.44841 20.84314 9.681467 2.146202 
14.24430 
1 1 1 29  10  6  o 32.15722 8.297478  276.4409       145.0783 325.8825       
219.5926 238.1447       193.2634 33.98870 12.13899 30.32574 11.31537 3.662962 
16.59496 
1 1 1 29  10  7  o 35.45504 8.270721  351.6427       142.2557 374.4407       
212.9662 333.2751       191.1562 36.22004 12.00804 34.69004 11.37656 1.530003 
16.54144 
1 1 1 29  10  8  o 24.97272 6.959715  111.0413       122.3003 -127.1888      
217.3380 221.4336       147.9473 20.55849 9.673667 29.38694 10.00853 -8.828451 
13.91943 
1 1 1 29  10  9  o 25.46004 7.318327  90.61188       137.6083 -110.3745      
209.5081 243.1058       182.4920 20.47263 9.601921 30.44745 11.04694 -9.974829 
14.63665 
1 1 1 29  10  10 o 34.46481 8.555800  331.3214       157.2135 226.4472       
216.6016 448.0808       228.5459 29.91641 11.77414 39.01321 12.41679 -9.096800 
17.11160 
1 1 1 29  10  11 o 24.48295 7.639099  53.90543       154.0603 81.00998       
215.8033 25.73496       220.0058 25.13686 10.94013 23.82904 10.66475 1.307825 
15.27820 
1 1 1 29  10  12 o 24.36565 7.471410  74.05505       139.8263 97.99120       
214.9900 56.50735       184.0777 25.50070 11.00607 23.23060 10.10714 2.270103 
14.94282 
1 1 1 29  10  13 o 25.79423 7.891417  65.64961       164.8159 238.2639       
238.0731 -93.21951      228.3977 30.15215 12.17045 21.43630 10.04878 8.715855 
15.78283 
1 1 1 29  10  14 o 34.28331 8.948300  359.1923       170.2725 364.7278       
236.3128 353.2153       245.5564 34.56696 12.56794 33.99965 12.74108 0.5673103 
17.89660 
1 1 1 29  10  15 o 30.01716 8.675999  242.8111       168.6439 248.8952       
290.6146 239.7221       207.0770 30.41976 12.95252 29.61456 11.54661 0.8052063 
17.35200 
1 1 1 29  10  16 o 21.97353 7.340750  -124.6997      184.4106 -328.9320      
283.3805 25.31734       242.8723 19.98447 9.821283 23.96260 10.91278 -3.978134 
14.68150 
1 1 1 29  10  17 o 28.55114 8.701385  208.8358       188.8995 227.3289       
279.9786 193.3836       255.9270 29.10997 12.56181 27.99232 12.04398 1.117651 
17.40277 
1 1 1 29  10  18 o 37.01880 8.702872  462.0257       160.6267 406.8603       
273.0152 491.2302       198.6452 33.79310 13.24123 40.24449 11.29734 -6.451389 
17.40574 
1 1 1 29  10  19 o 21.93023 7.275996  -32.67102      171.9233 -138.7822      
273.6486 36.52547       220.9809 21.21164 10.23742 22.64881 10.34194 -1.437170 
14.55199 
1 1 1 29  10  20 o 19.73373 6.676329  -108.3716      158.2592 1.429473       
222.4037 -220.9992      225.2481 21.43622 10.01665 18.03125 8.829513 3.404974 
13.35266 
1 1 1 29  10  21 o 27.30703 8.300157  262.7950       178.2396 152.1309       
275.4608 342.4998       233.7755 24.82046 11.42219 29.79361 12.04591 -4.973154 
16.60031 
1 1 1 29  10  22 o 24.11636 11.23631  130.3334       277.3057 130.3334       
277.3057 0.000000       0.000000 24.11636 11.23631 ?        ?        ? ? 
1 1 1 29  11  0  o 22.20575 6.902293  38.92189       124.3064 91.56691       
150.7447 -72.94367      219.7413 23.02494 9.538571 21.38657 9.979092 1.638371 
13.80459 
1 1 1 29  11  1  o 21.42820 6.934349  -43.84105      143.5836 29.35404       
194.6530 -131.2004      212.6546 22.80225 10.12515 20.05416 9.477453 2.748098 
13.86870 
1 1 1 29  11  2  o 22.46785 7.102355  6.320847       137.2326 68.89011       
204.9264 -44.55346      184.7849 24.37210 10.63386 20.56359 9.417787 3.808512 
14.20471 
1 1 1 29  11  3  o 22.00205 6.949098  -100.8618      140.7650 175.8609       
214.1797 -311.2834      186.7674 28.03529 11.45863 15.96880 7.865088 12.06649 
13.89820 
1 1 1 29  11  4  o 24.09183 7.423081  33.91773       148.1078 -105.0947      
214.4752 160.6385       204.7736 20.78565 9.742676 27.39801 11.20218 -6.612362 
14.84616 
1 1 1 29  11  5  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 29  11  6  o 29.26270 8.444582  198.7394       162.2426 179.5032       
261.2577 210.8147       206.9935 29.19885 12.35028 29.32654 11.52018 
-0.1276913     16.88916 
1 1 1 29  11  7  o 30.13458 7.998859  233.0941       140.0394 168.5620       
209.6367 285.0958       188.1864 27.86406 11.35387 32.40511 11.27017 -4.541042 
15.99772 
1 1 1 29  11  8  o 23.33184 7.131757  45.19635       121.0634 129.3729       
210.7135 3.718107       147.9132 26.58801 11.16103 20.07566 8.881395 6.512356 
14.26351 
1 1 1 29  11  9  o 28.69094 7.931874  175.4496       141.3199 309.5839       
216.9464 76.57917       186.2585 33.27147 12.04735 24.11042 10.32085 9.161047 
15.86375 
1 1 1 29  11  10 o 25.43601 7.780538  85.15245       154.1052 129.8354       
213.5121 36.56292       222.6502 26.59975 11.20362 24.27227 10.79935 2.327482 
15.56108 
1 1 1 29  11  11 o 26.08473 7.879358  103.9496       153.9568 38.60363       
211.4963 177.6074       224.5446 23.86740 10.58165 28.30207 11.67758 -4.434677 
15.75872 
1 1 1 29  11  12 o 24.30476 7.569914  35.06201       156.1299 151.6445       
214.3854 -96.60038      227.8292 27.15583 11.32021 21.45368 10.05322 5.702152 
15.13983 
1 1 1 29  11  13 o 36.84313 8.627182  330.6570       156.8921 679.6988       
276.0600 164.1315       190.6800 46.71659 13.38408 26.96966 10.88942 19.74693 
17.25436 
1 1 1 29  11  14 o 25.91192 8.180920  58.51525       179.9981 182.9498       
278.4721 -30.78324      235.9029 28.92542 12.50562 22.89842 10.55079 6.027000 
16.36184 
1 1 1 29  11  15 o 30.88264 8.971980  241.3093       189.2540 414.4404       
288.4075 110.3799       250.8058 35.37077 13.66042 26.39451 11.63523 8.976254 
17.94396 
1 1 1 29  11  16 o 47.41739 8.376448  707.9468       196.3520 324.8963       
286.5437 1047.031       269.5978 32.30158 13.23661 62.53319 10.26897 -30.23161 
16.75290 
1 1 1 29  11  17 o 30.88758 8.558390  286.1758       161.9476 307.8331       
228.0261 264.1335       230.0442 31.66347 12.16428 30.11168 12.04219 1.551781 
17.11678 
1 1 1 29  11  18 o 25.83987 8.045283  127.7772       171.1017 65.10063       
270.6506 169.5023       220.8287 25.05801 11.44341 26.62173 11.31170 -1.563723 
16.09057 
1 1 1 29  11  19 o 27.67015 8.137872  199.3542       172.3540 -20.04351      
271.2539 347.9067       223.2030 23.08250 10.84553 32.25779 12.13566 -9.175293 
16.27574 
1 1 1 29  11  20 o 29.26746 8.622776  298.4333       179.1242 228.1806       
278.6603 347.9019       233.8345 27.41028 12.15006 31.12465 12.23867 -3.714363 
17.24555 
1 1 1 29  11  21 o 23.34809 7.645613  64.25547       172.4471 202.8958       
277.6756 -22.78817      220.0197 26.05731 11.80617 20.63888 9.717812 5.418430 
15.29123 
1 1 1 29  11  22 o 21.76091 7.238507  24.65541       168.1549 -14.76648      
222.9379 76.68266       256.1124 20.58797 9.719604 22.93386 10.72908 -2.345881 
14.47701 
1 1 1 29  12  0  o 27.74788 7.627364  194.8989       131.0959 244.7545       
161.9347 100.0828       223.3181 30.00972 10.45290 25.48605 11.11052 4.523670 
15.25473 
1 1 1 29  12  1  o 22.52583 7.027816  -48.13844      145.2193 182.1155       
202.1136 -293.8590      208.7914 27.73480 11.20587 17.31686 8.484650 10.41794 
14.05563 
1 1 1 29  12  2  o 23.67710 7.345303  53.03297       141.2020 -7.593233      
219.0326 96.14583       184.7064 22.88836 10.40743 24.46584 10.36819 -1.577488 
14.69061 
1 1 1 29  12  3  o 23.43946 7.224586  -57.15460      154.2127 222.7189       
213.2102 -364.1997      223.3203 29.60073 11.67153 17.27819 8.517862 12.32255 
14.44917 
1 1 1 29  12  4  o 22.34925 7.196352  -45.34733      150.4199 78.50926       
220.6499 -152.8828      205.5985 25.25824 11.02726 19.44026 9.249295 5.817986 
14.39270 
1 1 1 29  12  5  o 25.81821 7.924876  86.18589       157.4342 143.3031       
243.5237 45.17333       206.3555 27.72676 11.83285 23.90967 10.54506 3.817095 
15.84975 
1 1 1 29  12  6  o 34.76366 9.100419  335.5275       180.7114 492.6403       
269.8847 207.8364       243.3060 39.83168 13.51780 29.69564 12.18768 10.13605 
18.20084 
1 1 1 29  12  7  o 23.89867 11.07119  -53.92582      264.3254 -53.92582      
264.3254 0.000000       0.000000 23.89867 11.07119 ?        ?        ? ? 
1 1 1 29  12  8  o 24.01680 7.721672  -2.610067      168.8203 35.61040       
214.1363 -65.37901      274.4193 23.98729 10.63953 24.04630 11.19362 
-0.5901527E-01 15.44334 
1 1 1 29  12  9  o 20.90796 6.748064  -106.3392      144.0075 -351.9818      
216.9612 87.10546       192.5346 17.16247 8.452641 24.65344 10.52133 -7.490967 
13.49613 
1 1 1 29  12  10 o 24.35894 7.561183  47.58013       151.7391 118.0445       
209.3041 -30.48327      220.3010 26.11003 11.04957 22.60784 10.32439 3.502188 
15.12237 
1 1 1 29  12  11 o 23.41959 7.310610  -37.24424      152.8571 -248.4703      
212.5369 189.0797       220.0016 18.25126 8.852044 28.58792 11.63707 -10.33667 
14.62122 
1 1 1 29  12  12 o 27.36854 8.161854  147.1873       161.6747 98.59752       
234.4040 191.2771       223.2861 26.11404 11.38364 28.62304 11.69941 -2.508999 
16.32371 
1 1 1 29  12  13 o 30.61934 8.743215  228.6865       186.2733 41.09229       
277.2890 382.9616       251.4612 25.85925 11.74540 35.37943 12.95457 -9.520185 
17.48643 
1 1 1 29  12  14 o 41.12954 8.582153  543.7758       172.3697 334.5527       
293.1157 654.3752       213.1133 33.20801 13.46282 49.05106 10.64734 -15.84305 
17.16431 
1 1 1 29  12  15 o 26.39806 7.898651  46.61345       172.5685 334.7619       
243.2884 -245.1651      244.8161 33.20305 12.62001 19.59306 9.502103 13.60999 
15.79730 
1 1 1 29  12  16 o 30.07966 8.439781  221.3452       179.6242 -32.46297      
269.9417 423.0287       240.6314 23.76467 11.07774 36.39464 12.73591 -12.62997 
16.87956 
1 1 1 29  12  17 o 27.35801 8.179648  171.6394       166.8828 56.30538       
265.6299 246.8463       214.4998 25.15184 11.44318 29.56418 11.69103 -4.412340 
16.35930 
1 1 1 29  12  18 o 27.96709 8.329127  202.1161       171.5617 91.54530       
270.7315 276.3140       221.7758 25.67837 11.64485 30.25581 11.91196 -4.577433 
16.65825 
1 1 1 29  12  19 o 23.01028 7.466760  24.70276       150.7036 103.5085       
277.7471 -8.178711      179.4099 25.64205 11.67558 20.37851 9.310792 5.263535 
14.93352 
1 1 1 29  12  20 o 28.79986 8.408198  178.0081       173.2837 542.6908       
282.3167 -42.43114      219.4944 36.79366 13.68654 20.80606 9.770864 15.98760 
16.81640 
1 1 1 29  12  21 o 29.88911 8.617335  310.2578       188.7792 67.40514       
271.6118 537.2043       262.5662 23.57372 11.03414 36.20450 13.23940 -12.63078 
17.23467 
1 1 1 29  12  22 f 25.13194 8.130398  160.1220       197.1779 302.4928       
274.6555 8.705884       283.2461 27.86478 12.23286 22.39910 10.71311 5.465677 
16.26080 
1 1 1 29  13  0  o 20.86543 6.661739  -1.710060      122.8710 48.21674       
147.4426 -115.1931      222.2910 21.15997 9.123358 20.57088 9.709759 0.5890884 
13.32348 
1 1 1 29  13  1  o 29.77494 8.205442  237.8654       147.3658 253.8106       
218.7939 224.6255       199.3711 30.37561 11.86356 29.17426 11.33901 1.201347 
16.41088 
1 1 1 29  13  2  o 23.21481 7.243000  29.23774       138.5400 121.2230       
210.0233 -41.61922      184.3315 25.91360 11.02175 20.51602 9.400272 5.397581 
14.48600 
1 1 1 29  13  3  o 33.55107 8.506348  324.1609       150.8786 320.1811       
244.1617 326.6194       191.9035 33.14265 12.62932 33.95950 11.39878 
-0.8168564     17.01270 
1 1 1 29  13  4  o 26.04401 7.861397  87.84557       155.3062 225.1341       
232.3412 -23.04294      208.8105 29.89278 12.04069 22.19524 10.11079 7.697536 
15.72279 
1 1 1 29  13  5  o 21.73218 7.159324  -78.88890      158.7801 -166.7834      
254.5231 -22.89019      203.1586 21.46557 10.23995 21.99879 10.00835 
-0.5332184     14.31865 
1 1 1 29  13  6  o 27.59581 8.141052  99.51989       175.0406 -152.2922      
257.2617 316.5814       238.8517 21.84212 10.37036 33.34949 12.55240 -11.50736 
16.28210 
1 1 1 29  13  7  o 28.12769 8.620860  138.1149       188.6628 169.0963       
259.8769 103.5921       274.3283 28.78981 12.25314 27.46556 12.13002 1.324244 
17.24172 
1 1 1 29  13  8  o 30.81146 12.88556  230.7376       279.1588 0.000000       
0.000000 230.7376       279.1588 ?        ?        30.81146 12.88556 ? ? 
1 1 1 29  13  9  o 30.45703 8.870787  227.2633       184.0862 265.6683       
246.5134 178.8480       276.7820 31.56045 12.51648 29.35361 12.57383 2.206835 
17.74157 
1 1 1 29  13  10 o 21.34386 6.901874  -53.73841      134.0818 -115.0635      
169.1092 50.07477       220.0262 18.18126 8.548669 24.50647 10.83807 -6.325207 
13.80375 
1 1 1 29  13  11 o 31.56781 8.461040  271.0366       155.5884 314.7076       
216.2279 224.1485       224.0511 33.30364 12.03050 29.83199 11.90058 3.471649 
16.92208 
1 1 1 29  13  12 o 29.40786 8.689464  195.1998       176.5286 261.9611       
276.4351 149.2272       229.3928 31.41526 12.95856 27.40046 11.58028 4.014801 
17.37893 
1 1 1 29  13  13 o 27.04284 8.480712  99.14232       187.7512 150.5719       
299.5434 65.86301       240.9577 28.72981 12.68350 25.35587 11.26138 3.373941 
16.96142 
1 1 1 29  13  14 o 36.81829 8.662970  384.8126       171.1299 177.6605       
232.4436 629.9789       252.8736 28.07442 11.75061 45.56216 12.73229 -17.48775 
17.32594 
1 1 1 29  13  15 o 34.44070 9.149895  371.3131       191.2739 206.2240       
291.7865 495.7095       253.2852 29.52017 12.78242 39.36123 13.09549 -9.841061 
18.29979 
1 1 1 29  13  16 o 23.68444 7.650218  8.389878       169.1254 25.13226       
261.0376 -3.722488      222.0286 24.62550 11.24276 22.74339 10.37804 1.882105 
15.30044 
1 1 1 29  13  17 o 25.87364 8.000331  118.5223       165.6645 57.45934       
263.4400 158.4655       213.0662 25.15326 11.43102 26.59402 11.19612 -1.440765 
16.00066 
1 1 1 29  13  18 o 23.79552 7.512711  52.16029       155.5507 -39.74898      
218.6135 146.4072       221.3762 21.50091 10.00182 26.09014 11.21280 -4.589237 
15.02542 
1 1 1 29  13  19 o 23.97693 7.698184  58.09409       170.4316 -28.17769      
271.7018 114.0613       218.8392 23.13887 10.86722 24.81499 10.90650 -1.676125 
15.39637 
1 1 1 29  13  20 o 22.70981 7.501248  -45.89658      178.5785 175.8800       
269.8297 -218.7438      238.2117 26.57706 11.85486 18.84256 9.194405 7.734499 
15.00250 
1 1 1 29  13  21 o 28.75696 8.630192  291.8546       178.7822 250.4460       
232.0863 352.2877       280.3767 27.54634 11.64530 29.96758 12.74001 -2.421236 
17.26038 
1 1 1 29  13  22 o 24.73678 8.048238  130.6628       197.1130 287.0875       
277.6098 -28.38108      279.9244 27.59667 12.19328 21.87690 10.50811 5.719770 
16.09648 
1 1 1 29  13  23 o 22.44735 10.86068  -16.80915      314.6985 -16.80915      
314.6985 0.000000       0.000000 22.44735 10.86068 ?        ?        ? ? 
1 1 1 29  14  0  o 26.31312 7.531902  162.4963       126.4752 173.0885       
155.0735 141.4535       218.5726 26.32826 10.05550 26.29799 11.21629 
0.3026581E-01  15.06380 
1 1 1 29  14  1  o 28.52275 8.037582  209.3319       144.1345 223.0509       
211.0631 197.3432       197.3055 29.06051 11.56376 27.98500 11.16648 1.075518 
16.07516 
1 1 1 29  14  2  o 25.04348 7.340767  48.30745       137.9691 285.2531       
209.4321 -133.3695      183.3871 31.64495 11.78483 18.44202 8.755871 13.20292 
14.68153 
1 1 1 29  14  3  o 31.31823 8.174354  275.0278       146.5242 186.6292       
231.4240 334.1738       189.2990 28.39633 11.79455 34.24013 11.32116 -5.843798 
16.34871 
1 1 1 29  14  4  o 20.51383 6.880846  -137.2937      156.3873 -117.1011      
245.7875 -151.0292      202.7144 21.79510 10.26482 19.23256 9.166116 2.562540 
13.76169 
1 1 1 29  14  5  o 29.21280 8.545080  198.2067       167.0873 224.5678       
273.5621 182.5208       211.0229 30.32020 12.72189 28.10541 11.41171 2.214790 
17.09016 
1 1 1 29  14  6  o 48.37763 9.989286  744.9498       215.3406 718.8642       
298.7531 773.1584       310.6717 47.59451 14.01748 49.16076 14.23565 -1.566250 
19.97857 
1 1 1 29  14  7  o 32.04332 9.315781  268.7480       197.3273 226.4453       
252.5454 335.0568       316.1848 30.26096 12.41785 33.82567 13.89000 -3.564709 
18.63156 
1 1 1 29  14  8  o 32.93789 8.933318  304.9860       181.2595 402.7475       
239.8868 174.8982       276.7201 36.69535 12.72809 29.18042 12.53844 7.514935 
17.86664 
1 1 1 29  14  9  o 26.58036 8.285584  91.56455       179.1718 102.7887       
234.2805 75.75037       278.0884 26.31790 11.42560 26.84282 12.00247 
-0.5249214     16.57117 
1 1 1 29  14  10 o 30.37285 12.27088  234.6163       242.3336 234.6163       
242.3336 0.000000       0.000000 30.37285 12.27088 ?        ?        ? ? 
1 1 1 29  14  11 o 23.61157 7.762412  -55.68518      183.8937 -64.59985      
242.5473 -43.63247      282.0242 22.70662 10.55205 24.51653 11.38747 -1.809902 
15.52482 
1 1 1 29  14  12 o 27.60151 8.358927  109.3172       174.0663 290.4471       
272.7442 -15.15610      226.0990 32.17335 13.00992 23.02966 10.49898 9.143694 
16.71785 
1 1 1 29  14  13 o 29.81257 8.611386  162.3663       181.7825 428.9436       
276.1877 -41.38213      241.4570 36.63152 13.55490 22.99362 10.62491 13.63790 
17.22277 
1 1 1 29  14  14 o 25.23596 8.075125  34.33170       181.8578 108.6186       
281.4270 -18.92854      238.2930 27.23087 12.12781 23.24105 10.66522 3.989820 
16.15025 
1 1 1 29  14  15 o 22.60725 7.278146  -22.34549      158.7936 -224.9690      
263.6814 92.95461       198.9067 20.65084 9.982805 24.56366 10.59383 -3.912817 
14.55629 
1 1 1 29  14  16 o 23.22493 7.550690  -31.55226      166.1827 105.0479       
263.2371 -122.0683      214.2813 26.39605 11.74342 20.05380 9.494405 6.342241 
15.10138 
1 1 1 29  14  17 o 21.58170 7.076966  -42.02539      153.2465 -33.13155      
216.8796 -50.89364      216.5672 21.77219 10.06400 21.39120 9.952374 0.3809853 
14.15393 
1 1 1 29  14  18 o 26.42727 8.177689  127.4855       169.3289 241.0393       
270.0559 53.92027       217.3649 29.30879 12.48292 23.54575 10.56765 5.763039 
16.35538 
1 1 1 29  14  19 f 26.61442 8.194103  165.7887       171.0074 126.3549       
275.5024 190.5043       218.1108 26.19219 11.81915 27.03665 11.35258 
-0.8444557     16.38821 
1 1 1 29  14  20 o 23.00051 7.375649  52.20848       155.4470 -0.6664212     
218.6891 106.2066       220.9995 21.75066 10.07384 24.25035 10.77583 -2.499687 
14.75130 
1 1 1 29  14  21 o 33.05791 8.949501  430.0638       179.1479 354.7274       
280.2949 482.0927       232.9351 30.16011 12.77636 35.95571 12.53551 -5.795595 
17.89900 
1 1 1 29  14  22 o 21.48207 7.207036  -6.598043      173.3498 -68.81454      
286.6211 29.28604       217.6739 21.51207 10.40066 21.45206 9.979563 
0.6001091E-01  14.41407 
1 1 1 29  14  23 o 22.46859 7.605861  17.91769       202.7994 15.33008       
296.0890 20.20433       278.3368 22.58928 10.83983 22.34790 10.67214 0.2413769 
15.21172 
1 1 1 29  15  0  o 19.40026 6.457411  -100.2686      129.1902 -151.7454      
162.0810 -10.58824      213.9319 16.70139 8.015798 22.09913 10.12619 -5.397739 
12.91482 
1 1 1 29  15  1  o 22.10088 7.053290  -61.03656      151.8538 156.3567       
208.6841 -305.6981      221.3856 26.57740 11.12958 17.62436 8.667643 8.953037 
14.10658 
1 1 1 29  15  2  f 33.77605 8.375232  348.1277       155.2676 220.4105       
252.4871 425.7986       196.8991 29.34707 12.26263 38.20502 11.41078 -8.857952 
16.75046 
1 1 1 29  15  3  o 21.71907 7.113889  -55.31033      148.6023 15.31717       
243.0017 -97.50024      187.8134 24.07013 10.94941 19.36800 9.085164 4.702127 
14.22778 
1 1 1 29  15  4  o 31.52147 8.521189  261.2585       156.5961 390.2158       
247.7873 175.5031       202.0630 35.54569 12.87479 27.49724 11.16613 8.048449 
17.04238 
1 1 1 29  15  5  o 29.40599 8.454013  207.3330       159.7342 276.1954       
258.8579 164.9873       202.9902 31.56829 12.71185 27.24369 11.14855 4.324600 
16.90803 
1 1 1 29  15  6  o 28.40419 8.653150  159.9965       188.6538 208.7748       
246.2422 90.67992       293.5404 29.45219 12.19554 27.35620 12.27912 2.095989 
17.30630 
1 1 1 29  15  7  f 21.82525 7.282966  -136.4049      178.2047 -32.83759      
234.8441 -276.9904      273.6141 23.01596 10.57275 20.63454 10.01915 2.381413 
14.56593 
1 1 1 29  15  8  o 27.30409 8.337698  124.0736       178.5844 201.1177       
236.1219 21.09775       272.9821 29.15249 11.99257 25.45569 11.58651 3.696802 
16.67540 
1 1 1 29  15  9  o 36.14937 8.833983  386.8346       186.4806 586.1543       
246.8159 121.7034       284.6613 44.35760 12.63846 27.94114 12.34611 16.41647 
17.66797 
1 1 1 29  15  10 o 34.65527 9.277990  361.3486       184.2291 358.9482       
241.4848 364.6913       284.9572 34.74060 12.69749 34.56992 13.53138 0.1706810 
18.55598 
1 1 1 29  15  11 o 37.15282 14.02207  449.3072       298.5957 0.000000       
0.000000 449.3072       298.5957 ?        ?        37.15282 14.02207 ? ? 
1 1 1 29  15  12 o 26.67255 8.091603  109.4023       161.8098 225.3245       
250.3037 26.17868       212.0837 29.93761 12.33688 23.40749 10.47366 6.530121 
16.18321 
1 1 1 29  15  13 o 23.71062 7.680301  -4.680182      168.8384 -11.23859      
273.4590 -0.6399177     214.6337 24.62809 11.35227 22.79315 10.34766 1.834932 
15.36060 
1 1 1 29  15  14 o 30.40317 8.663694  235.2358       180.2094 75.06331       
264.7589 373.4976       245.9845 26.03108 11.67352 34.77525 12.80498 -8.744175 
17.32739 
1 1 1 29  15  15 o 23.61654 7.636099  1.123969       169.3981 9.933529       
258.9027 -5.470457      224.0000 24.36598 11.15439 22.86709 10.43166 1.498892 
15.27220 
1 1 1 29  15  16 o 21.91347 7.244715  -64.98792      165.2749 -161.6800      
270.7658 -7.567971      208.6555 21.70096 10.40202 22.12598 10.08670 
-0.4250145     14.48943 
1 1 1 29  15  17 o 25.12478 7.882186  89.65424       165.4982 44.48631       
264.8505 118.5889       211.9800 24.90631 11.35684 25.34325 10.93332 
-0.4369411     15.76437 
1 1 1 29  15  18 o 22.51038 7.395190  -29.38443      164.7754 38.82106       
262.8953 -73.51478      211.4666 24.48127 11.22091 20.53949 9.635696 3.941782 
14.79038 
1 1 1 29  15  19 o 31.63288 8.694647  326.5993       164.2895 325.6815       
267.3445 327.1563       208.2518 31.21816 12.78786 32.04760 11.78381 
-0.8294353     17.38929 
1 1 1 29  15  20 o 27.54676 8.545938  212.8266       190.5242 244.5714       
268.2484 180.5106       270.6515 28.31266 12.25774 26.78086 11.91134 1.531799 
17.09188 
1 1 1 29  15  21 o 23.98567 7.934731  67.41431       199.2091 61.58090       
285.9687 72.91378       277.6632 23.95649 11.23268 24.01486 11.21012 
-0.5837440E-01 15.86946 
1 1 1 29  15  22 o 22.43854 7.587970  -2.748148      202.0049 -32.23676      
293.7812 23.69748       278.2106 22.18859 10.68388 22.68848 10.77794 
-0.4998894     15.17594 
1 1 1 29  15  23 o 23.44368 7.743872  15.08559       204.7120 -344.7464      
302.5122 319.0667       278.0458 18.84229 9.398507 28.04506 12.31009 -9.202776 
15.48774 
1 1 1 29  16  0  o 29.83181 7.845664  231.5632       125.4894 162.4222       
152.7746 374.9689       220.0221 25.48508 9.921621 34.17854 12.15645 -8.693459 
15.69133 
1 1 1 29  16  1  o 25.33413 7.759867  110.2064       154.0251 178.6519       
218.1341 42.14820       217.5160 27.24100 11.39126 23.42727 10.54046 3.813736 
15.51973 
1 1 1 29  16  2  o 21.28180 6.841992  -47.94706      144.9668 -316.1457      
242.6703 100.8719       180.7663 18.48047 9.084189 24.08313 10.23371 -5.602659 
13.68398 
1 1 1 29  16  3  o 21.80206 7.116756  -32.98376      148.3202 -40.59976      
244.7579 -28.56397      186.4551 22.84843 10.61105 20.75570 9.486756 2.092728 
14.23351 
1 1 1 29  16  4  o 25.05368 7.784655  85.15548       156.4668 59.65331       
249.8591 101.6081       200.6894 25.20930 11.32177 24.89806 10.68742 0.3112469 
15.56931 
1 1 1 29  16  5  o 29.96958 8.211317  169.4408       157.4949 458.4899       
252.0124 -15.79765      201.7444 38.07130 13.06114 21.86786 9.955377 16.20345 
16.42263 
1 1 1 29  16  6  o 29.95355 8.689486  198.0848       187.0747 384.6359       
262.9519 6.888764       266.2054 35.14325 13.18169 24.76385 11.32571 10.37940 
17.37897 
1 1 1 29  16  7  o 48.09322 8.727159  719.5345       192.6814 962.9833       
260.7313 426.6025       286.0043 59.79087 10.78057 36.39558 13.72707 23.39529 
17.45432 
1 1 1 29  16  8  o 27.37394 8.405180  130.8491       181.0229 184.0567       
237.0882 56.46930       280.3177 28.49357 11.89289 26.25431 11.88054 2.239265 
16.81036 
1 1 1 29  16  9  o 27.70374 8.467696  108.8643       180.7824 -12.79203      
234.6156 286.6647       283.6324 23.36773 10.66439 32.03975 13.15592 -8.672022 
16.93539 
1 1 1 29  16  10 f 28.05296 8.568316  150.1999       186.7481 210.5944       
246.7352 69.20102       285.7408 29.44782 12.20159 26.65811 12.03268 2.789709 
17.13663 
1 1 1 29  16  11 o 27.01556 8.248155  104.1754       180.8532 251.7604       
243.8565 -76.22567      269.6081 30.67400 12.34369 23.35711 10.94356 7.316895 
16.49631 
1 1 1 29  16  12 o 29.42675 8.451270  207.9707       164.4694 306.5563       
245.7079 127.9412       221.3796 32.45906 12.59362 26.39444 11.27371 6.064617 
16.90254 
1 1 1 29  16  13 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 29  16  14 o 23.10844 7.381467  -0.4967937     154.7842 -94.10344      
214.0646 102.0686       224.0742 20.65896 9.692277 25.55792 11.13571 -4.898958 
14.76293 
1 1 1 29  16  15 o 25.06861 7.820883  78.37872       164.5495 -46.16370      
266.5602 155.0577       209.1582 23.47324 10.96753 26.66398 11.15249 -3.190735 
15.64177 
1 1 1 29  16  16 o 27.53521 8.006923  158.8627       166.4738 -83.53214      
266.6256 313.7330       213.1201 22.71325 10.69544 32.35716 11.91850 -9.643915 
16.01385 
1 1 1 29  16  17 o 33.60609 9.019839  352.2037       171.3563 447.4740       
278.0453 293.8587       217.5899 35.94798 13.54066 31.26421 11.91975 4.683771 
18.03968 
1 1 1 29  16  18 o 28.36957 8.231734  208.5700       169.2752 28.29289       
264.1358 334.2140       220.5097 24.25334 11.17100 32.48580 12.09358 -8.232454 
16.46347 
1 1 1 29  16  19 o 23.05678 7.540486  6.759112       168.7460 -34.63574      
217.8985 68.78257       266.7221 21.31678 9.942897 24.79677 11.33907 -3.479992 
15.08097 
1 1 1 29  16  20 o 23.70334 7.840168  26.32742       193.5176 17.66838       
269.8882 35.49010       277.6262 23.45882 10.98370 23.94786 11.19068 
-0.4890366     15.68034 
1 1 1 29  16  21 o 25.47639 8.232813  148.7518       199.3186 77.39992       
294.7302 208.8872       270.5744 24.33630 11.40946 26.61648 11.87187 -2.280184 
16.46563 
1 1 1 29  16  22 o 22.91080 7.689441  29.17312       199.8206 84.30650       
293.2069 -18.63933      273.0470 23.86958 11.23293 21.95201 10.50387 1.917568 
15.37888 
1 1 1 29  16  23 o 18.41687 6.499967  -353.7107      205.4570 -479.6190      
311.9539 -257.2560      273.0392 18.02962 9.077653 18.80411 9.305616 
-0.7744884     12.99993 
1 1 1 29  17  0  o 23.99073 7.211229  116.5995       127.4599 153.9319       
158.7879 48.96636       213.7241 24.96900 9.996775 23.01247 10.39576 1.956524 
14.42246 
1 1 1 29  17  1  o 27.34397 8.028928  163.6402       172.1549 -125.8175      
284.6194 330.6363       216.1848 22.29023 10.67973 32.39771 11.99158 -10.10748 
16.05786 
1 1 1 29  17  2  o 28.03499 7.881486  106.4165       146.6396 453.0934       
248.8929 -77.90168      181.4822 36.87753 12.94814 19.19245 8.989831 17.68509 
15.76297 
1 1 1 29  17  3  o 28.95739 8.504360  211.2387       159.3239 262.5450       
295.5713 190.2255       189.1575 30.50733 13.02836 27.40745 10.93428 3.099882 
17.00872 
1 1 1 29  17  4  f 36.41200 8.684135  406.6729       155.7774 435.9994       
243.7578 386.4276       202.5314 36.88545 12.82688 35.93855 11.71017 0.9468994 
17.36827 
1 1 1 29  17  5  o 27.66275 8.259019  101.1510       174.4381 368.5030       
267.5044 -96.64100      230.0877 34.06976 13.15647 21.25573 9.987640 12.81403 
16.51804 
1 1 1 29  17  6  o 30.10898 8.622370  241.7417       174.0134 313.0161       
227.6964 141.6614       269.8137 32.57122 12.25650 27.64675 12.13092 4.924475 
17.24474 
1 1 1 29  17  7  o 22.94963 7.508932  -39.85875      171.6293 -6.922257      
224.4492 -86.23349      266.3300 22.96126 10.46587 22.93801 10.77042 
0.2324486E-01  15.01786 
1 1 1 29  17  8  o 26.35709 8.185280  96.13205       179.3628 186.1761       
233.9068 -32.37859      279.4376 28.34238 11.82022 24.37180 11.32597 3.970587 
16.37056 
1 1 1 29  17  9  o 26.96888 8.435998  108.6705       186.8355 88.89240       
247.2437 134.9997       285.2673 25.98682 11.49131 27.95093 12.35370 -1.964106 
16.87200 
1 1 1 29  17  10 o 19.98036 6.921381  -398.8162      189.4683 -664.1527      
252.6199 -57.64177      286.4555 15.80537 7.980350 24.15534 11.31088 -8.349965 
13.84276 
1 1 1 29  17  11 o 26.21885 8.137108  90.21302       177.2838 191.8890       
240.0703 -31.73792      262.9189 28.59578 11.95356 23.84191 11.04366 4.753878 
16.27422 
1 1 1 29  17  12 o 30.07747 8.488582  238.5710       162.4812 302.1730       
237.3142 182.4474       222.9262 32.16105 12.39755 27.99389 11.59849 4.167162 
16.97716 
1 1 1 29  17  13 o 27.23095 7.669898  116.3662       153.6600 350.4701       
211.6739 -144.4339      223.4173 34.28425 11.95002 20.17764 9.618020 14.10661 
15.33980 
1 1 1 29  17  14 o 28.18736 7.997556  163.5464       155.1995 -3.316884      
213.9248 348.9610       225.5032 22.50894 10.24837 33.86578 12.28065 -11.35684 
15.99511 
1 1 1 29  17  15 o 25.55351 11.07226  113.5322       219.2106 113.5322       
219.2106 0.000000       0.000000 25.55351 11.07226 ?        ?        ? ? 
1 1 1 29  17  16 o 21.28088 7.125486  -109.0829      162.0989 -16.73470      
264.1664 -164.8555      205.2928 23.74397 11.02571 18.81778 9.029060 4.926193 
14.25097 
1 1 1 29  17  17 o 31.90998 8.560360  318.7158       165.8742 198.3169       
264.9436 396.3311       212.7237 28.27189 12.21025 35.54808 12.00120 -7.276192 
17.12072 
1 1 1 29  17  18 o 29.64077 8.108304  251.6662       161.8769 28.97438       
260.4033 391.9219       206.6592 24.08576 11.09304 35.19579 11.82890 -11.11003 
16.21661 
1 1 1 29  17  19 o 26.63456 8.385302  158.6861       189.9833 164.7583       
267.3764 152.4943       269.9967 26.75851 11.87623 26.51060 11.84096 0.2479076 
16.77060 
1 1 1 29  17  20 o 20.27171 6.984855  -275.1424      197.1336 -603.7637      
284.3236 29.08096       273.5655 16.89732 8.522264 23.64611 11.06905 -6.748796 
13.96971 
1 1 1 29  17  21 o 22.21069 7.487245  -47.23730      197.7651 -211.0097      
294.4877 87.29428       266.9063 20.41307 10.02548 24.00832 11.12318 -3.595251 
14.97449 
1 1 1 29  17  22 o 22.64273 7.655337  9.681771       201.2812 56.79631       
308.0991 -25.39948      265.8585 23.62624 11.26963 21.65921 10.36398 1.967035 
15.31067 
1 1 1 29  17  23 o 21.78531 7.409780  -36.55537      202.4332 -163.5079      
297.8497 72.42931       275.9683 20.45070 10.05636 23.11991 10.88526 -2.669210 
14.81956 
1 1 1 29  18  0  o 20.30875 6.646681  -51.85250      132.8950 -158.7411      
173.1706 101.2887       207.2785 16.80512 8.117932 23.81238 10.52676 -7.007254 
13.29336 
1 1 1 29  18  1  o 25.28020 7.704590  139.4951       148.4904 99.05424       
238.2956 165.1662       189.8578 24.77534 11.09345 25.78506 10.69477 -1.009710 
15.40918 
1 1 1 29  18  2  o 26.28523 7.738484  166.8049       145.1310 63.41966       
245.0829 222.6371       180.1053 24.40349 11.07246 28.16697 10.81375 -3.763474 
15.47697 
1 1 1 29  18  3  f 23.14878 7.291017  53.79680       143.2499 -8.292291      
232.7314 91.66759       181.7605 22.71411 10.47110 23.58345 10.14849 
-0.8693409     14.58203 
1 1 1 29  18  4  o 28.56916 8.174914  203.2832       159.7436 324.9862       
222.1893 73.06895       229.8274 32.53770 12.13424 24.60063 10.95797 7.937065 
16.34983 
1 1 1 29  18  5  o 18.40587 6.301612  -214.3979      146.7091 -130.3500      
220.5066 -281.1521      196.5157 20.13811 9.580108 16.67362 8.189188 3.464491 
12.60322 
1 1 1 29  18  6  o 34.77459 9.324437  356.8649       182.9898 241.8973       
228.4053 562.9117       305.7746 29.73088 11.95366 39.81831 14.31400 -10.08744 
18.64887 
1 1 1 29  18  7  o 29.18442 8.464299  205.7616       176.5820 336.6641       
235.6867 38.25245       266.6124 33.24086 12.47733 25.12798 11.44088 8.112885 
16.92860 
1 1 1 29  18  8  o 25.47012 8.206975  -47.76950      186.9393 -226.7910      
231.2415 289.9195       317.5935 19.22011 9.301084 31.72013 13.52433 -12.50002 
16.41395 
1 1 1 29  18  9  o 25.64139 8.109047  74.83082       178.9049 100.4592       
235.0196 39.51515       275.8846 25.79286 11.31959 25.48993 11.61437 0.3029270 
16.21809 
1 1 1 29  18  10 o 24.54129 7.878445  21.57717       180.2377 106.1100       
232.3433 -106.1618      285.6138 25.87389 11.30569 23.20868 10.97547 2.665205 
15.75689 
1 1 1 29  18  11 o 23.35354 7.541181  -2.867034      164.9505 -50.50658      
228.2961 49.16777       238.5951 22.10370 10.25857 24.60338 11.05619 -2.499685 
15.08236 
1 1 1 29  18  12 o 23.85917 7.451818  35.68007       150.1819 -79.21690      
207.4160 162.2976       217.7383 20.61001 9.646113 27.10833 11.36093 -6.498320 
14.90364 
1 1 1 29  18  13 o 23.66143 7.464422  41.72630       152.2466 92.33963       
213.2283 -10.91210      217.4522 24.87431 10.85011 22.44855 10.25405 2.425758 
14.92884 
1 1 1 29  18  14 o 35.00018 8.546144  375.0453       153.5929 330.8656       
217.9416 418.6392       216.4919 33.07138 12.06508 36.92899 12.10703 -3.857605 
17.09229 
1 1 1 29  18  15 o 30.32000 8.364721  255.6187       155.2861 346.2745       
228.8069 178.2056       211.4358 33.37555 12.34005 27.26444 11.29590 6.111109 
16.72944 
1 1 1 29  18  16 o 17.87792 8.683235  -222.6334      205.7793 0.000000       
0.000000 -222.6334      205.7793 ?        ?        17.87792 8.683235 ? ? 
1 1 1 29  18  17 o 23.47979 7.445785  48.62176       154.7169 -43.16088      
235.2025 118.6290       205.4154 22.01753 10.29315 24.94205 10.76150 -2.924520 
14.89157 
1 1 1 29  18  18 o 27.08421 8.253628  113.0748       188.0563 381.8243       
264.5095 -161.6172      267.4178 33.12112 13.01892 21.04729 10.14876 12.07383 
16.50726 
1 1 1 29  18  19 o 29.75506 8.716522  226.8383       199.5602 -68.85593      
281.1862 526.9244       283.2667 22.54979 10.75855 36.96033 13.71732 -14.41054 
17.43304 
1 1 1 29  18  20 f 25.97953 8.321321  149.7894       196.0394 237.2097       
289.1479 75.41875       266.6946 27.76453 12.33304 24.19453 11.17469 3.570004 
16.64264 
1 1 1 29  18  21 o 25.75406 8.175212  126.5185       176.1478 400.6363       
299.9300 -17.81121      217.6352 30.73474 13.12473 20.77338 9.750792 9.961355 
16.35042 
1 1 1 29  18  22 o 26.59982 8.240216  242.5830       178.6935 168.0509       
296.4727 285.1082       223.9425 25.18817 11.69023 28.01148 11.61650 -2.823307 
16.48043 
1 1 1 29  18  23 f 18.76701 6.523024  -199.3996      177.7897 -316.7271      
293.9991 -131.7565      223.2328 18.84075 9.379097 18.69327 9.068182 0.1474838 
13.04605 
1 1 1 29  19  0  o 21.47565 6.850730  49.38348       132.8564 111.4232       
159.5042 -91.17427      240.0848 22.58273 9.605086 20.36857 9.770993 2.214155 
13.70146 
1 1 1 29  19  1  o 27.88753 8.168422  239.5064       157.3291 181.1119       
275.1055 267.8863       191.7868 26.64441 11.92521 29.13066 11.16610 -2.486244 
16.33684 
1 1 1 29  19  2  o 21.29411 6.909324  -82.86130      148.4816 169.3128       
219.2862 -296.3674      201.7744 26.17989 11.20238 16.40834 8.090836 9.771553 
13.81865 
1 1 1 29  19  3  o 39.36663 7.828447  491.7365       146.6797 307.0061       
224.6100 629.0961       193.6820 31.09357 12.04556 47.63970 10.00214 -16.54613 
15.65689 
1 1 1 29  19  4  o 22.32230 7.363049  -33.07973      168.2460 -36.34763      
254.2976 -30.53568      224.3737 22.76492 10.65933 21.87968 10.16055 0.8852348 
14.72610 
1 1 1 29  19  5  o 23.44608 7.415467  41.13328       149.0685 125.6000       
226.9268 -22.98333      197.7098 25.76295 11.21567 21.12921 9.703881 4.633745 
14.83093 
1 1 1 29  19  6  o 23.15765 7.644322  -37.54551      183.1891 -49.95050      
260.3037 -25.37320      257.8508 22.96824 10.75987 23.34707 10.86130 
-0.3788338     15.28864 
1 1 1 29  19  7  o 27.93169 8.390933  126.8969       175.7007 -42.45658      
227.8277 375.4421       276.0018 22.04961 10.23907 33.81378 13.29633 -11.76417 
16.78187 
1 1 1 29  19  8  o 21.75805 7.344268  -167.5922      190.0366 -318.0650      
269.9424 -19.74403      267.5779 19.62792 9.626603 23.88819 11.09422 -4.260273 
14.68854 
1 1 1 29  19  9  o 26.23612 8.241417  97.41268       179.8904 36.11003       
238.4379 178.4097       274.0756 24.14643 10.94033 28.32581 12.32854 -4.179377 
16.48283 
1 1 1 29  19  10 f 28.45840 8.415963  120.1195       175.4503 -75.54460      
225.0198 423.5329       280.2093 21.35771 10.00516 35.55910 13.53553 -14.20139 
16.83193 
1 1 1 29  19  11 o 20.87108 6.880489  -64.74863      147.3116 -57.23477      
205.5078 -72.68988      211.2718 20.91051 9.715685 20.83164 9.745254 
0.7887077E-01  13.76098 
1 1 1 29  19  12 o 19.55954 6.572145  -136.7688      147.5619 -69.81940      
205.2531 -208.3895      212.2930 20.61246 9.628209 18.50661 8.948183 2.105846 
13.14429 
1 1 1 29  19  13 o 28.06111 8.055310  182.6608       153.1073 68.84270       
210.6083 310.2358       222.9732 24.03371 10.61954 32.08851 12.11518 -8.054806 
16.11062 
1 1 1 29  19  14 o 24.63837 7.646579  83.68657       152.5739 144.0835       
221.9345 29.56121       210.0960 26.33752 11.26983 22.93921 10.33787 3.398310 
15.29316 
1 1 1 29  19  15 o 17.95522 6.207713  -262.4930      154.2807 -260.5320      
232.7089 -264.0309      206.0814 18.60191 9.078890 17.30853 8.468563 1.293379 
12.41543 
1 1 1 29  19  16 o 24.37491 7.655555  77.65663       155.5101 131.5593       
234.6844 35.46149       207.6396 25.96275 11.35335 22.78707 10.27285 3.175674 
15.31111 
1 1 1 29  19  17 o 22.05270 7.214228  -15.00962      158.1480 -42.99830      
235.1651 8.099539       213.6849 21.89115 10.25025 22.21426 10.15444 
-0.3231106     14.42846 
1 1 1 29  19  18 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 29  19  19 o 28.91743 8.336300  261.7961       161.4618 193.4866       
226.7359 332.0754       229.9818 26.67405 11.40172 31.16083 12.16456 -4.486780 
16.67260 
1 1 1 29  19  20 o 24.31126 7.959017  65.62889       193.4827 222.4378       
285.2938 -67.91595      263.2816 27.12156 12.14126 21.50096 10.29435 5.620607 
15.91803 
1 1 1 29  19  21 o 23.42326 7.746141  37.89339       197.7181 -168.2139      
292.3665 211.5943       268.3997 20.61878 10.08785 26.22774 11.75781 -5.608959 
15.49228 
1 1 1 29  19  22 o 21.97179 7.444263  -39.34582      196.8115 142.4192       
284.9148 -205.2353      272.1882 24.54682 11.41852 19.39676 9.554344 5.150063 
14.88853 
1 1 1 29  20  0  o 21.90068 7.057865  64.82799       142.6501 51.48769       
188.2609 82.81389       218.5965 21.18226 9.636209 22.61909 10.31491 -1.436829 
14.11573 
1 1 1 29  20  1  o 30.00077 8.410768  266.3496       170.3087 580.0280       
264.8913 45.31590       222.3590 37.79784 13.34908 22.20370 10.23553 15.59414 
16.82154 
1 1 1 29  20  2  o 21.68517 7.006220  13.35263       147.4450 -120.2615      
219.2092 123.7474       199.2539 19.37364 9.304078 23.99670 10.47772 -4.623058 
14.01244 
1 1 1 29  20  3  o 29.01788 8.036582  152.8752       151.5208 544.2274       
258.2195 -52.64037      187.1231 38.51256 13.22018 19.52320 9.141847 18.98935 
16.07316 
1 1 1 29  20  4  o 20.04126 6.754033  -118.2264      158.8058 -165.9937      
227.6787 -72.96975      221.6147 19.39249 9.354160 20.69002 9.745129 -1.297531 
13.50807 
1 1 1 29  20  5  o 25.28733 7.591733  127.0858       147.6561 -5.663507      
225.4804 226.7530       195.3749 22.29644 10.28925 28.27823 11.16553 -5.981783 
15.18347 
1 1 1 29  20  6  o 24.22281 7.881363  11.12844       186.5595 141.0830       
270.0287 -107.5510      258.0487 26.75720 11.89931 21.68841 10.33779 5.068798 
15.76273 
1 1 1 29  20  7  o 27.79966 8.322710  133.8134       173.9920 -46.72282      
227.2922 389.3436       270.4105 21.73756 10.14528 33.86175 13.19633 -12.12419 
16.64542 
1 1 1 29  20  8  o 24.54796 7.805129  52.48574       173.8453 147.7262       
229.6246 -75.41219      266.0966 26.45193 11.39505 22.64400 10.66926 3.807932 
15.61026 
1 1 1 29  20  9  f 19.04974 6.588354  -250.3160      167.4261 -207.2905      
206.7735 -332.2292      285.3045 18.16038 8.789465 19.93910 9.816871 -1.778723 
13.17671 
1 1 1 29  20  10 o 25.28150 7.985375  70.61612       164.5410 6.618087       
203.7067 190.7508       279.0977 22.12568 10.05425 28.43733 12.40874 -6.311653 
15.97075 
1 1 1 29  20  11 o 19.26549 6.492756  -146.6510      146.9578 -82.51389      
207.4688 -211.2366      208.1927 20.34855 9.545768 18.18243 8.803513 2.166115 
12.98551 
1 1 1 29  20  12 o 19.54971 6.572821  -164.0763      148.8786 -300.8613      
203.1404 -5.352466      218.8257 16.69825 8.224692 22.40116 10.25487 -5.702913 
13.14564 
1 1 1 29  20  13 o 25.06953 7.757817  102.9136       155.6134 73.56435       
215.1016 135.1406       225.4006 24.11483 10.68392 26.02423 11.25117 -1.909403 
15.51563 
1 1 1 29  20  14 o 25.03326 7.729694  98.94646       153.0999 181.6100       
231.9899 35.16719       203.7755 27.36986 11.61036 22.69665 10.20746 4.673212 
15.45939 
1 1 1 29  20  15 o 29.18366 8.279283  227.3321       156.2123 358.4139       
237.8819 127.9490       207.1317 33.13381 12.51253 25.23351 10.84540 7.900299 
16.55857 
1 1 1 29  20  16 o 23.64908 7.327028  29.60257       155.0830 -224.4537      
234.6177 226.7408       206.6718 18.98761 9.237743 28.31056 11.37565 -9.322948 
14.65406 
1 1 1 29  20  17 o 25.94912 7.987851  137.8527       163.5049 240.7222       
243.9564 53.95942       220.3092 28.61756 12.01092 23.28068 10.53379 5.336880 
15.97570 
1 1 1 29  20  18 o 24.00429 7.719955  67.39030       169.7475 137.1319       
255.0571 11.93909       227.4297 25.67254 11.48655 22.33603 10.31747 3.336508 
15.43991 
1 1 1 29  20  19 o 23.21760 7.572036  8.668089       173.5281 213.4326       
260.9547 -153.6541      232.3415 27.07852 11.90554 19.35668 9.359541 7.721842 
15.14407 
1 1 1 29  20  20 o 19.45920 9.500156  -185.7924      255.5027 -185.7924      
255.5027 0.000000       0.000000 19.45920 9.500156 ?        ?        ? ? 
1 1 1 29  20  21 o 21.77727 7.301519  -18.04812      184.7310 -186.3841      
287.8223 99.87076       240.8949 20.16827 9.907220 23.38627 10.72827 -3.217997 
14.60304 
1 1 1 29  20  22 o 21.45963 7.291589  -34.09327      191.2762 -84.22727      
269.3581 16.90405       271.6674 20.71076 10.02522 22.20849 10.59075 -1.497725 
14.58318 
1 1 1 29  21  0  o 19.13426 6.228942  -45.41870      126.7581 124.0142       
167.2278 -274.2386      194.3374 22.57403 9.724435 15.69450 7.786799 6.879526 
12.45788 
1 1 1 29  21  1  o 34.09891 8.565588  444.7902       155.2338 394.6917       
219.6313 494.7998       219.4363 31.99064 12.03758 36.20718 12.18909 -4.216547 
17.13118 
1 1 1 29  21  2  o 20.11726 6.818246  -92.98311      162.4035 22.67526       
250.9443 -176.3337      213.0312 22.27051 10.45658 17.96400 8.752938 4.306505 
13.63649 
1 1 1 29  21  3  o 24.87458 7.566122  155.3664       150.4019 -0.4706895     
263.5260 230.6496       183.1626 22.49361 10.60401 27.25555 10.79535 -4.761940 
15.13224 
1 1 1 29  21  4  o 21.06041 6.958435  -27.63778      153.4977 -77.06916      
216.5660 22.26427       217.5946 20.07702 9.524034 22.04381 10.14752 -1.966791 
13.91687 
1 1 1 29  21  5  o 23.83069 7.609851  62.01209       155.7060 179.1847       
257.6682 -5.387021      195.4227 26.74363 11.79068 20.91775 9.623885 5.825886 
15.21970 
1 1 1 29  21  6  o 23.79080 7.797316  25.77662       185.3922 42.98791       
269.9091 10.40380       255.0866 24.28295 11.22556 23.29865 10.82494 0.9843044 
15.59463 
1 1 1 29  21  7  o 21.33826 7.219864  -111.8038      179.9341 -44.78566      
220.0688 -246.9600      312.5216 21.24551 9.941672 21.43101 10.47229 
-0.1855030     14.43973 
1 1 1 29  21  8  o 24.29636 7.892568  48.84871       174.3122 58.01897       
208.1973 27.35136       318.7695 23.22614 10.38528 25.36659 11.88766 -2.140451 
15.78514 
1 1 1 29  21  9  o 28.01054 8.230186  207.9291       171.0832 299.0063       
200.7398 -33.82169      327.0487 31.29687 11.56105 24.72420 11.71690 6.572670 
16.46037 
1 1 1 29  21  10 o 22.93327 7.496658  -28.04191      161.3596 -117.6499      
200.8401 135.1151       271.0066 19.23284 9.146349 26.63371 11.88040 -7.400867 
14.99332 
1 1 1 29  21  11 o 28.98395 8.123384  238.2963       148.3934 285.1376       
208.6046 190.3102       211.1382 30.69683 11.68048 27.27107 11.29264 3.425764 
16.24677 
1 1 1 29  21  12 o 38.76005 8.656460  483.3616       160.4672 402.6118       
227.4822 563.3390       226.3915 35.09695 12.37310 42.42314 12.10965 -7.326191 
17.31292 
1 1 1 29  21  13 o 21.15850 6.966785  -75.93535      153.5906 72.86060       
224.6354 -206.5635      210.4753 24.11749 10.78556 18.19952 8.821341 5.917971 
13.93357 
1 1 1 29  21  14 f 25.67755 7.811487  130.1163       152.1687 222.7781       
230.7704 58.83261       202.4066 28.29902 11.76749 23.05607 10.27636 5.242949 
15.62297 
1 1 1 29  21  15 o 29.57373 8.331120  250.0356       156.2150 375.0391       
239.1096 156.9489       206.3383 33.30583 12.55440 25.84162 10.95524 7.464212 
16.66224 
1 1 1 29  21  16 o 22.14769 7.193533  3.443760       155.7452 -103.6409      
238.9104 82.58387       205.3855 20.76259 9.908482 23.53278 10.43119 -2.770197 
14.38707 
1 1 1 29  21  17 o 22.33562 7.336844  -39.44288      167.9378 150.2115       
251.5051 -192.0415      225.6008 25.90347 11.50482 18.76777 9.108026 7.135702 
14.67369 
1 1 1 29  21  18 o 26.30717 7.985080  135.5298       167.2957 378.7735       
251.4372 -57.69566      224.0995 31.97892 12.65397 20.63542 9.742851 11.34351 
15.97016 
1 1 1 29  21  19 o 23.54490 7.611796  42.52666       170.8916 253.0862       
257.6376 -122.8927      228.3574 27.62028 11.98618 19.46951 9.385593 8.150778 
15.22359 
1 1 1 29  21  20 o 21.40458 7.160426  -12.05898      170.4066 -11.22142      
256.8947 -12.71708      227.7174 21.79136 10.35416 21.01779 9.893339 0.7735691 
14.32085 
1 1 1 29  21  21 o 31.12116 12.73870  417.2450       265.0971 0.000000       
0.000000 417.2450       265.0971 ?        ?        31.12116 12.73870 ? ? 
1 1 1 29  21  22 o 20.11576 6.907186  -109.2385      183.6708 -105.0751      
267.8799 -112.9323      252.3176 20.37838 9.900677 19.85315 9.633974 0.5252285 
13.81437 
1 1 1 29  22  2  o 22.55156 7.398170  65.54924       169.0375 146.2639       
233.8655 -22.74963      244.6063 24.07485 10.87519 21.02826 10.03304 3.046597 
14.79634 
1 1 1 29  22  3  f 18.42145 6.384632  -195.0197      166.0242 -176.6690      
224.1589 -217.3191      247.1015 18.26528 8.913863 18.57761 9.143147 
-0.3123322     12.76926 
1 1 1 29  22  4  o 29.07986 8.295230  301.0236       155.3549 291.7071       
259.7669 306.2113       193.8410 28.33245 12.16029 29.82728 11.28586 -1.494835 
16.59046 
1 1 1 29  22  5  o 31.66733 8.609115  332.5133       157.4525 529.0241       
263.0616 222.8141       196.5468 36.41095 13.25803 26.92371 10.98599 9.487234 
17.21823 
1 1 1 29  22  6  o 20.82547 7.010241  -115.2862      166.4369 -263.4822      
219.2487 86.25821       255.6844 17.40923 8.575342 24.24172 11.09222 -6.832495 
14.02048 
1 1 1 29  22  7  o 24.40827 7.933163  47.26627       165.8295 -32.11380      
195.4631 251.1539       313.2596 20.26178 9.437755 28.55476 12.75418 -8.292986 
15.86633 
1 1 1 29  22  8  o 24.11199 7.674641  37.14436       181.8912 227.2644       
226.7073 -306.3506      304.7276 27.89945 11.63628 20.32453 10.00986 7.574917 
15.34928 
1 1 1 29  22  9  o 39.46410 9.187348  528.0410       170.4567 475.9331       
209.7165 629.4789       292.6048 38.46017 11.83547 40.46804 14.05528 -2.007870 
18.37470 
1 1 1 29  22  10 o 24.66240 7.849838  95.56522       166.1755 125.1178       
199.5758 28.76275       300.0591 24.63142 10.61721 24.69337 11.56523 
-0.6195068E-01 15.69968 
1 1 1 29  22  11 o 37.71540 8.596581  469.2423       157.1622 402.2193       
225.0092 533.0880       219.6110 34.61956 12.29544 40.81124 12.01777 -6.191689 
17.19316 
1 1 1 29  22  12 o 24.50290 7.633535  85.63422       156.2145 212.1075       
227.3187 -27.53894      215.0342 27.67475 11.60370 21.33106 9.921573 6.343697 
15.26707 
1 1 1 29  22  13 o 20.02125 6.719850  -97.88120      152.9369 -151.7836      
225.4298 -51.91652      208.1706 19.50188 9.382540 20.54062 9.622550 -1.038736 
13.43970 
1 1 1 29  22  14 o 22.70960 7.416960  11.74988       166.6442 -29.53458      
238.5552 51.09608       232.8879 21.97362 10.29512 23.44559 10.67969 -1.471962 
14.83392 
1 1 1 29  22  15 o 21.53358 7.077878  -24.02515      154.9816 44.90467       
232.6351 -79.03037      207.8134 23.18663 10.59735 19.88054 9.385181 3.306087 
14.15576 
1 1 1 29  22  16 o 19.45501 6.647555  -154.2613      160.0267 -89.37128      
247.3747 -200.9581      209.8504 21.00832 10.03925 17.90169 8.716269 3.106623 
13.29511 
1 1 1 29  22  17 o 28.81227 8.478902  280.1855       171.5805 224.5396       
258.4166 324.0591       229.4592 27.25105 11.91518 30.37348 12.06630 -3.122425 
16.95780 
1 1 1 29  22  18 o 24.56078 7.802522  134.9477       167.0233 138.1667       
255.1403 132.5338       220.9458 24.85588 11.28351 24.26568 10.77960 0.5902004 
15.60504 
1 1 1 29  22  19 o 29.67666 8.363482  235.2111       175.7469 632.8921       
273.4420 -44.69284      229.4047 38.81930 13.57721 20.53402 9.769891 18.28528 
16.72696 
1 1 1 29  22  20 o 23.78831 7.696510  106.3121       178.0497 -38.38356      
263.2122 228.3777       241.7547 21.33253 10.23278 26.24408 11.49936 -4.911547 
15.39302 
1 1 1 29  22  21 o 21.04296 7.151856  -46.47848      184.3033 8.573529       
262.5552 -99.95634      258.7742 21.87485 10.42689 20.21108 9.791634 1.663769 
14.30371 
1 1 1 29  23  3  o 23.23833 7.279865  118.7436       141.5302 41.57706       
190.1271 214.6460       211.9554 20.80037 9.537392 25.67628 11.00109 -4.875910 
14.55973 
1 1 1 29  23  4  o 24.62108 7.454289  170.4879       143.4195 61.93482       
218.5427 252.6027       190.0753 22.00940 10.14648 27.23277 10.92313 -5.223373 
14.90858 
1 1 1 29  23  5  o 21.41646 7.014887  23.15155       149.6491 -56.25383      
203.4902 116.6788       220.8450 19.39645 9.215781 23.43646 10.57847 -4.040005 
14.02977 
1 1 1 29  23  6  o 27.55770 8.253486  259.2947       169.0922 321.0031       
224.7021 178.7253       256.7556 29.61984 11.87819 25.49556 11.46249 4.124275 
16.50697 
1 1 1 29  23  7  o 21.38729 7.262648  -83.19308      179.9385 -161.6470      
224.7495 56.88105       300.3104 18.75003 9.096726 24.02455 11.32404 -5.274515 
14.52530 
1 1 1 29  23  8  o 33.10893 8.933077  378.0371       165.6220 272.0541       
203.7852 584.2525       284.2597 28.73461 11.38508 37.48326 13.76878 -8.748650 
17.86615 
1 1 1 29  23  9  o 21.76190 7.087505  -22.70591      163.7603 148.6333       
203.9631 -333.5168      274.7080 24.79193 10.71038 18.73188 9.285404 6.060047 
14.17501 
1 1 1 29  23  10 f 33.56900 8.777034  343.6202       172.6236 131.8562       
219.0813 690.3857       280.3479 24.68492 10.87897 42.45308 13.77655 -17.76815 
17.55407 
1 1 1 29  23  11 o 23.14518 7.459426  47.51942       161.0177 -33.90782      
219.2203 142.9129       237.2768 20.98354 9.838023 25.30681 11.21541 -4.323273 
14.91885 
1 1 1 29  23  12 o 24.38782 7.755746  103.1068       163.7918 146.7643       
256.2565 72.95110       212.9754 25.66186 11.49682 23.11379 10.41295 2.548069 
15.51149 
1 1 1 29  23  13 o 29.37914 7.912263  249.7168       154.7905 24.96513       
224.7009 452.6943       213.5390 22.31440 10.28760 36.44389 12.02418 -14.12949 
15.82453 
1 1 1 29  23  14 o 27.20732 7.784721  184.2210       159.6611 -76.40724      
239.5128 392.6573       214.1927 20.82035 9.932456 33.59430 11.98974 -12.77395 
15.56944 
1 1 1 29  23  15 o 24.75004 7.740109  110.4540       159.4074 274.9327       
244.8119 -10.61371      210.0351 28.55545 12.01058 20.94464 9.766421 7.610806 
15.48022 
1 1 1 29  23  16 o 19.16357 6.558600  -142.6996      158.4713 -107.3948      
246.9690 -167.4097      206.6159 20.34367 9.795597 17.98346 8.723946 2.360214 
13.11720 
1 1 1 29  23  17 o 25.86176 7.976457  193.9264       166.1017 123.4474       
249.2388 250.2393       222.7871 24.30751 11.06584 27.41600 11.49098 -3.108494 
15.95291 
1 1 1 29  23  18 o 21.76141 7.243993  -4.174243      169.4441 114.9172       
255.8497 -97.22130      226.1496 23.98582 11.02548 19.53701 9.398967 4.448811 
14.48799 
1 1 1 29  23  19 o 20.91214 7.022287  -43.14098      172.2273 -211.6433      
260.3911 87.90220       229.6310 18.99774 9.357987 22.82655 10.47273 -3.828815 
14.04457 
1 1 1 29  23  20 o 23.86971 7.747328  124.1784       180.1359 39.88581       
260.3012 201.6460       249.5406 22.34318 10.53481 25.39623 11.36231 -3.053053 
15.49466 
1 1 1 29  24  5  o 24.91045 7.663865  179.5080       148.1306 123.1867       
193.9842 258.2882       229.4238 22.95013 10.15971 26.87077 11.47692 -3.920633 
15.32773 
1 1 1 29  24  6  o 20.00074 6.751693  -50.22262      157.3415 -23.87948      
198.3148 -94.97573      258.4836 19.68763 9.257101 20.31385 9.830947 
-0.6262188     13.50339 
1 1 1 29  24  7  o 22.40103 7.407674  51.48027       164.6842 39.84288       
197.9246 77.66541       296.8926 21.10462 9.699535 23.69744 11.19882 -2.592819 
14.81535 
1 1 1 29  24  8  o 23.60791 7.734757  99.69360       175.9191 114.1305       
212.2412 68.00394       314.4502 23.27507 10.44435 23.94075 11.41146 
-0.6656723     15.46951 
1 1 1 29  24  9  o 26.39954 8.269445  202.2106       184.1790 79.09975       
251.1571 345.4358       270.8988 23.30913 10.79570 29.48994 12.52947 -6.180809 
16.53889 
1 1 1 29  24  10 o 22.56584 7.456830  17.38072       179.1972 153.1982       
250.5971 -124.7408      256.3470 24.92678 11.25890 20.20491 9.780309 4.721869 
14.91366 
1 1 1 29  24  11 o 26.12945 7.710480  174.9639       161.8897 -94.88753      
253.4728 360.8816       210.3921 20.59628 9.918819 31.66262 11.80775 -11.06634 
15.42096 
1 1 1 29  24  12 o 27.63974 8.109381  197.6403       169.0993 -30.18076      
229.3006 469.2544       250.3712 20.92952 9.873934 34.34996 12.86677 -13.42044 
16.21876 
1 1 1 29  24  13 o 18.00480 6.246948  -233.7365      153.3684 -58.92097      
239.2112 -355.7535      199.8489 20.73092 9.898451 15.27868 7.623525 5.452239 
12.49390 
1 1 1 29  24  14 o 27.71923 8.222622  242.9825       170.3713 85.01740       
240.3963 402.3886       241.4903 23.33971 10.71120 32.09875 12.47863 -8.759039 
16.44524 
1 1 1 29  24  15 o 21.99713 7.229838  19.98736       157.3231 148.0809       
245.8538 -68.83521      204.7269 24.66938 11.14674 19.32488 9.210445 5.344498 
14.45968 
1 1 1 29  24  16 o 28.06136 8.055245  251.0327       168.4707 10.32276       
249.3211 453.2882       228.5400 21.90989 10.32457 34.21283 12.36734 -12.30294 
16.11049 
1 1 1 29  24  17 o 21.65013 7.197149  -9.816157      166.3071 157.1304       
253.4565 -136.0367      220.3839 24.65049 11.20514 18.64977 9.035522 6.000723 
14.39430 
1 1 1 29  24  18 o 22.06833 7.369262  19.65292       180.6837 104.6299       
253.0719 -68.70110      258.0516 23.45606 10.85342 20.68060 9.971325 2.775463 
14.73852 
1 1 1 29  24  19 o 21.32576 7.242719  -30.26812      178.9038 50.64703       
296.1014 -76.78945      224.5182 23.08304 11.01944 19.56849 9.402122 3.514555 
14.48544 
1 1 1 29  25  8  o 22.95259 7.621401  61.14687       175.9593 -4.387506      
216.0576 190.2279       303.2259 20.54294 9.660163 25.36224 11.79085 -4.819300 
15.24280 
1 1 1 29  25  9  o 20.22934 6.874392  -80.13034      165.9232 -163.0688      
214.0013 44.87389       262.7247 17.96020 8.754980 22.49848 10.60091 -4.538286 
13.74878 
1 1 1 29  25  10 o 24.32723 7.680166  149.8078       165.7744 241.0772       
222.0887 34.97581       249.1123 26.54579 11.31357 22.10866 10.38956 4.437130 
15.36033 
1 1 1 29  25  11 o 22.25183 7.100371  7.509598       158.5511 -298.7312      
235.1606 262.7448       214.6858 17.16982 8.525167 27.33385 11.35705 -10.16404 
14.20074 
1 1 1 29  25  12 f 21.23468 6.995108  -7.417780      160.4369 -198.5482      
241.0754 144.5309       214.9495 18.53983 9.094352 23.92953 10.63104 -5.389708 
13.99022 
1 1 1 29  25  13 o 23.02146 7.432169  93.81678       156.9126 162.7584       
246.2444 46.68465       203.6029 24.65885 11.14806 21.38408 9.832050 3.274771 
14.86434 
1 1 1 29  25  14 o 19.18631 6.499452  -85.05370      151.7083 -168.8744      
237.8517 -27.56625      196.9778 18.75983 9.160059 19.61279 9.223059 
-0.8529625     12.99890 
1 1 1 29  25  15 o 22.57459 7.028867  -7.862831      160.1088 -490.7836      
254.5035 308.4499       205.9748 16.14151 8.140394 29.00768 11.46097 -12.86617 
14.05773 
1 1 1 29  25  16 o 18.49794 6.376246  -163.8357      161.7629 -263.9106      
245.8408 -87.42339      214.8192 17.88076 8.844147 19.11513 9.187336 -1.234365 
12.75249 
1 1 1 29  25  17 o 25.53555 7.946060  203.9179       170.2938 96.07600       
256.0946 289.4027       228.0085 23.24674 10.81834 27.82435 11.64144 -4.577610 
15.89212 
1 1 1 30  -2  0  o 24.53002 7.132528  141.5868       147.2813 326.8112       
179.0880 -245.4623      258.8811 30.55637 10.95750 18.50366 9.133729 12.05271 
14.26506 
1 1 1 30  -2  1  o 22.81357 7.265975  108.7676       144.7079 122.9911       
181.0929 83.64193       240.6892 22.80058 9.971836 22.82656 10.57072 
-0.2598000E-01 14.53195 
1 1 1 30  -2  2  o 26.75752 7.762389  228.4698       138.2033 151.9666       
179.6468 339.3970       216.3209 23.68538 10.13737 29.82966 11.75809 -6.144278 
15.52478 
1 1 1 30  -2  3  o 23.54750 6.950155  151.7345       115.2169 176.9557       
160.9377 125.2170       165.0216 24.47255 9.956054 22.62244 9.700290 1.850109 
13.90031 
1 1 1 30  -2  4  o 24.15265 10.32246  165.7264       185.7958 165.7264       
185.7958 0.000000       0.000000 24.15265 10.32246 ?        ?        ? ? 
1 1 1 30  -2  5  f 19.45112 9.311460  -66.18664      215.1926 -66.18664      
215.1926 0.000000       0.000000 19.45112 9.311460 ?        ?        ? ? 
1 1 1 30  -2  6  o 21.83797 10.07589  60.67633       216.1017 60.67633       
216.1017 0.000000       0.000000 21.83797 10.07589 ?        ?        ? ? 
1 1 1 30  -1  0  o 19.02055 6.464676  -102.7084      141.1896 -169.4722      
175.3949 20.19510       237.9733 16.31334 7.947498 21.72776 10.19831 -5.414415 
12.92935 
1 1 1 30  -1  1  o 20.31507 6.743734  -10.92145      142.7518 -8.679572      
179.1807 -14.81694      236.1929 19.50075 9.065043 21.12939 9.986831 -1.628647 
13.48747 
1 1 1 30  -1  2  f 31.36081 7.374417  270.8949       138.5519 9.503232       
185.0197 604.6241       209.0592 20.13444 9.302565 42.58717 11.44510 -22.45273 
14.74883 
1 1 1 30  -1  3  o 25.89321 7.206236  120.0310       135.2299 -123.2617      
180.9700 427.6523       203.4933 17.35354 8.363017 34.43287 11.73794 -17.07933 
14.41247 
1 1 1 30  -1  4  o 18.62497 6.036457  -15.10861      110.1917 68.92204       
150.1939 -113.0655      162.1626 20.60804 9.046586 16.64191 7.994656 3.966131 
12.07291 
1 1 1 30  -1  5  o 23.45968 7.345692  86.70058       148.5480 279.1824       
221.0664 -71.76179      200.5815 27.92391 11.55856 18.99546 9.068439 8.928452 
14.69138 
1 1 1 30  -1  6  o 24.85109 7.664016  173.6219       150.7246 240.9882       
223.7299 117.6388       203.9536 26.61114 11.34878 23.09105 10.30309 3.520094 
15.32803 
1 1 1 30  -1  7  o 19.22171 6.331926  -53.55966      137.4068 -386.1455      
246.1078 97.06812       165.6251 16.69216 8.346079 21.75126 9.524502 -5.059105 
12.66385 
1 1 1 30  -1  8  o 30.36291 11.49985  342.6020       201.4264 342.6020       
201.4264 0.000000       0.000000 30.36291 11.49985 ?        ?        ? ? 
1 1 1 30  0   0  o 22.66993 7.249612  69.55991       141.2652 14.94347       
175.0470 171.5584       239.2158 20.07234 9.181720 25.26752 11.22157 -5.195183 
14.49922 
1 1 1 30  0   1  o 44.69684 8.325101  598.8122       151.3948 451.7767       
182.4684 923.6631       271.2180 37.48273 10.92798 51.91095 12.56218 -14.42823 
16.65020 
1 1 1 30  0   2  o 23.94652 7.202885  128.4595       133.1175 228.5923       
181.7938 12.70428       195.4615 27.08488 10.74636 20.80816 9.593850 6.276716 
14.40577 
1 1 1 30  0   3  o 21.85050 6.913752  64.96656       132.1629 113.5138       
173.8885 -1.436291      203.3676 22.93238 9.897929 20.76862 9.655612 2.163765 
13.82750 
1 1 1 30  0   4  o 24.11395 7.350829  133.7546       132.1115 88.08284       
168.8681 205.8083       212.1054 22.00521 9.626637 26.22268 11.11155 -4.217470 
14.70166 
1 1 1 30  0   5  o 21.95855 7.132763  45.69739       150.0222 19.06396       
223.9765 67.36967       202.0418 21.71265 10.10936 22.20445 10.06509 
-0.4918003     14.26553 
1 1 1 30  0   6  o 27.36676 7.414279  166.6410       138.9513 -66.98376      
185.8642 462.6568       209.2155 18.68659 8.844915 36.04693 11.90183 -17.36034 
14.82856 
1 1 1 30  0   7  o 20.84168 6.938880  -34.02130      155.6359 97.44338       
237.7345 -132.6245      205.8891 23.40921 10.70482 18.27415 8.831707 5.135059 
13.87776 
1 1 1 30  0   8  o 23.06133 7.212479  118.3100       138.9388 35.34931       
239.1419 160.5821       170.7050 22.04629 10.32533 24.07637 10.07308 -2.030081 
14.42496 
1 1 1 30  0   9  o 31.14461 8.663235  379.9613       163.8781 467.2066       
255.6484 319.1026       213.5175 33.04179 12.84046 29.24742 11.63311 3.794376 
17.32647 
1 1 1 30  0   10 o 31.01353 12.36780  397.4132       241.9153 397.4132       
241.9153 0.000000       0.000000 31.01353 12.36780 ?        ?        ? ? 
1 1 1 30  1   0  o 21.41027 7.028695  -4.865970      143.1308 -65.81448      
177.0359 110.1582       243.2060 18.53248 8.723391 24.28806 11.02328 -5.755573 
14.05739 
1 1 1 30  1   1  o 20.48419 6.627347  -49.91117      125.7538 -177.2132      
158.4627 166.6409       206.6762 15.60554 7.592178 25.36284 10.86489 -9.757302 
13.25469 
1 1 1 30  1   2  o 22.06320 6.812707  34.75128       131.9776 198.5615       
178.1421 -164.5472      196.4935 26.36166 10.57429 17.76475 8.592812 8.596914 
13.62541 
1 1 1 30  1   3  o 23.10929 7.037895  95.71219       130.1309 181.5278       
169.1133 -28.86316      203.7562 25.69838 10.30507 20.52019 9.588186 5.178188 
14.07579 
1 1 1 30  1   4  o 22.69120 7.263367  58.77591       148.0339 85.99351       
220.4337 36.41779       199.7887 23.55221 10.60301 21.83019 9.929867 1.722013 
14.52673 
1 1 1 30  1   5  o 26.35952 7.886401  183.5474       152.7450 283.8637       
224.9642 97.74584       208.0535 29.20300 11.81276 23.51603 10.45179 5.686966 
15.77280 
1 1 1 30  1   6  o 29.23381 8.266038  286.7245       153.4489 288.2972       
225.8297 285.3755       209.1482 29.18009 11.82229 29.28753 11.55608 
-0.1074371     16.53208 
1 1 1 30  1   7  o 27.94802 8.202419  256.6943       160.4897 196.2495       
249.3881 299.4216       209.6759 26.30310 11.59766 29.59294 11.60229 -3.289845 
16.40484 
1 1 1 30  1   8  o 23.59916 7.483266  103.2265       158.0057 2.779572       
240.4487 179.5661       209.6182 21.83804 10.25027 25.36028 10.90546 -3.522245 
14.96653 
1 1 1 30  1   9  o 31.09372 8.602200  369.1853       163.1124 366.4874       
249.2372 371.2065       215.7263 30.52187 12.39895 31.66557 11.92717 -1.143702 
17.20440 
1 1 1 30  1   10 o 26.87523 7.997885  227.0172       155.9423 364.5028       
233.1388 115.7037       209.7778 30.53972 12.15312 23.21075 10.40030 7.328970 
15.99577 
1 1 1 30  1   11 o 22.76227 7.083043  18.21031       136.2831 331.6866       
221.3638 -173.1285      172.9441 29.45634 11.79918 16.06820 7.839472 13.38814 
14.16609 
1 1 1 30  1   12 o 20.59346 9.694024  -5.140073      218.6809 -5.140073      
218.6809 0.000000       0.000000 20.59346 9.694024 ?        ?        ? ? 
1 1 1 30  2   0  o 41.59650 8.363282  554.1273       149.3032 527.5648       
185.8075 602.5302       250.8222 42.14226 10.52261 41.05075 13.00203 1.091511 
16.72656 
1 1 1 30  2   1  o 17.97269 6.075762  -130.9390      131.1911 -62.40722      
176.4929 -215.5602      196.1196 18.83540 8.830247 17.10998 8.347830 1.725422 
12.15152 
1 1 1 30  2   2  f 27.13147 7.682951  199.9689       133.0241 139.7535       
176.6509 278.8383       202.1698 24.49939 10.24833 29.76356 11.44913 -5.264164 
15.36590 
1 1 1 30  2   3  o 28.19741 6.225543  129.5949       128.1757 471.0682       
165.7946 -377.6966      202.0789 40.91460 9.772136 15.48022 7.715885 25.43438 
12.45109 
1 1 1 30  2   4  o 18.44988 6.222912  -120.9756      132.8915 -152.2998      
175.6628 -79.05841      203.2054 17.14420 8.256568 19.75556 9.312767 -2.611366 
12.44582 
1 1 1 30  2   5  o 26.02101 7.806276  169.1662       149.3107 124.5994       
219.2144 207.7341       203.9277 24.85764 10.92060 27.18438 11.15761 -2.326742 
15.61255 
1 1 1 30  2   6  o 24.50113 7.346801  61.66157       153.5813 -235.7722      
228.9880 304.8524       207.0576 18.32792 8.957859 30.67435 11.64726 -12.34643 
14.69360 
1 1 1 30  2   7  o 28.56497 8.281851  255.6075       158.2959 242.7204       
245.0134 264.8405       207.3895 28.14760 11.93560 28.98234 11.48467 
-0.8347397     16.56370 
1 1 1 30  2   8  o 18.82877 6.445889  -160.8921      154.4231 -157.1869      
240.7410 -163.4824      201.2905 19.66296 9.511024 17.99457 8.702781 1.668398 
12.89178 
1 1 1 30  2   9  o 22.84995 7.335047  -13.86291      156.8340 272.3224       
245.3881 -211.4931      203.9184 28.40174 11.98904 17.29817 8.454269 11.10358 
14.67009 
1 1 1 30  2   10 o 39.80915 8.182949  533.0568       145.2363 550.8862       
197.1421 511.8943       214.7798 41.46440 11.10092 38.15390 12.02548 3.310493 
16.36590 
1 1 1 30  2   11 o 23.40771 7.240198  126.5398       134.3202 99.38954       
180.2433 160.4491       201.4330 22.36255 9.859985 24.45288 10.60484 -2.090324 
14.48040 
1 1 1 30  2   12 o 37.44101 7.988704  491.6583       137.4779 462.2408       
229.3693 508.1516       171.7465 34.19967 12.38708 40.68235 10.09147 -6.482689 
15.97741 
1 1 1 30  2   13 o 23.71592 10.70317  137.1337       226.0073 137.1337       
226.0073 0.000000       0.000000 23.71592 10.70317 ?        ?        ? ? 
1 1 1 30  3   0  o 27.60791 7.786210  221.3084       138.2618 260.1135       
175.9769 158.7165       223.4962 29.36131 10.82875 25.85450 11.19100 3.506815 
15.57242 
1 1 1 30  3   1  o 29.84185 7.341031  250.5474       131.2832 416.5988       
177.0313 47.64227       195.6931 37.34094 10.72448 22.34277 10.02738 14.99817 
14.68206 
1 1 1 30  3   2  o 27.30441 7.615877  206.2542       131.1097 250.4179       
174.3935 148.8434       198.8358 29.19158 10.77724 25.41725 10.76371 3.774334 
15.23175 
1 1 1 30  3   3  o 51.74062 6.644598  677.7661       138.0054 493.7017       
174.9942 980.5612       224.4466 41.84265 10.06865 61.63860 8.673240 -19.79594 
13.28920 
1 1 1 30  3   4  o 29.31477 8.097131  254.3715       148.3219 174.6514       
217.4434 323.7401       202.8355 26.56763 11.25375 32.06190 11.64505 -5.494267 
16.19426 
1 1 1 30  3   5  f 24.73209 7.604345  117.2908       146.8842 137.7164       
215.3995 99.53709       200.8174 25.43158 10.99689 24.03260 10.50584 1.398987 
15.20869 
1 1 1 30  3   6  o 20.08334 6.706893  -99.21668      151.8857 -219.2200      
228.1496 -3.699000      203.5471 18.70083 9.101778 21.46584 9.853288 -2.765011 
13.41379 
1 1 1 30  3   7  f 22.87581 7.365397  9.685680       154.7617 160.0816       
239.7813 -97.70100      202.6154 26.29311 11.48708 19.45851 9.221897 6.834602 
14.73079 
1 1 1 30  3   8  o 22.20118 7.228968  14.22277       154.4985 -12.27679      
238.5031 33.38252       202.8007 22.27132 10.39365 22.13103 10.05007 0.1402836 
14.45794 
1 1 1 30  3   9  o 31.10855 7.961977  285.6466       133.2735 437.7809       
214.9405 190.6252       169.8696 35.98436 12.06358 26.23274 10.39435 9.751616 
15.92395 
1 1 1 30  3   10 o 20.21623 6.740967  -54.84455      148.9010 -101.6274      
220.5550 -15.66329      201.8425 19.75987 9.451447 20.67258 9.614193 
-0.9127140     13.48193 
1 1 1 30  3   11 o 31.77441 7.684886  345.7904       133.4227 219.7287       
225.1641 414.0059       165.6339 26.75602 11.39705 36.79279 10.31200 -10.03677 
15.36977 
1 1 1 30  3   12 o 23.16377 7.185627  86.60609       146.5578 -111.8345      
223.2357 236.9267       194.2932 19.29139 9.294820 27.03616 10.96081 -7.744770 
14.37125 
1 1 1 30  3   13 o 19.84826 6.637265  -53.23020      145.3358 65.68133       
220.8357 -144.0829      193.0306 22.22526 10.22758 17.47125 8.462255 4.754007 
13.27453 
1 1 1 30  3   14 o 20.44643 9.676039  -20.57517      222.3394 -20.57517      
222.3394 0.000000       0.000000 20.44643 9.676039 ?        ?        ? ? 
1 1 1 30  4   0  o 22.36964 7.028411  18.49501       134.2123 -96.19738      
175.6383 179.4458       208.0648 18.25676 8.621413 26.48252 11.10250 -8.225756 
14.05682 
1 1 1 30  4   1  o 21.40717 6.810016  19.60023       128.3484 -24.30128      
174.4136 71.45460       189.5542 19.85691 9.117338 22.95743 10.11827 -3.100527 
13.62003 
1 1 1 30  4   2  o 20.10132 6.401434  -54.03374      126.9890 118.9305       
166.8027 -292.4946      195.8545 23.91474 9.978211 16.28790 8.021768 7.626841 
12.80287 
1 1 1 30  4   3  o 25.72104 7.714444  146.6193       145.2120 113.1579       
212.5961 175.8838       198.8173 24.87268 10.84185 26.56939 10.97747 -1.696709 
15.42889 
1 1 1 30  4   4  o 29.31423 7.963647  246.0644       137.0151 214.4697       
182.3080 287.0746       207.7037 27.89114 10.84239 30.73732 11.66710 -2.846188 
15.92729 
1 1 1 30  4   5  o 29.63525 7.915939  230.1088       133.8127 383.6327       
218.9324 138.5542       169.0682 34.50703 12.14106 24.76346 10.16085 9.743570 
15.83188 
1 1 1 30  4   6  o 23.32631 7.451881  34.51759       153.6166 123.2943       
236.9523 -29.84694      201.7599 25.66888 11.31312 20.98375 9.702337 4.685135 
14.90376 
1 1 1 30  4   7  o 30.06752 8.348251  242.6458       158.6768 434.9489       
245.4025 104.4806       208.0105 35.67424 12.82340 24.46079 10.69269 11.21345 
16.69650 
1 1 1 30  4   8  o 23.99880 7.563838  78.50525       156.0273 14.71590       
239.5735 125.4910       205.6116 23.08937 10.63642 24.90823 10.75701 -1.818853 
15.12768 
1 1 1 30  4   9  o 33.32439 8.134935  342.2206       144.2565 218.0859       
196.9911 485.7690       211.8357 27.71592 11.11876 38.93287 11.87779 -11.21695 
16.26987 
1 1 1 30  4   10 o 18.42154 6.179111  -100.7935      129.2906 -277.4621      
229.0025 -18.13125      156.6442 17.84022 8.787235 19.00285 8.689658 -1.162630 
12.35822 
1 1 1 30  4   11 o 26.75349 7.847806  203.9370       146.5987 145.3024       
225.8170 246.6501       192.7347 25.22257 11.08236 28.28440 11.11456 -3.061838 
15.69561 
1 1 1 30  4   12 o 21.45027 6.911597  30.64036       129.1530 107.6168       
225.3810 -6.995998      157.5949 23.88293 10.73830 19.01761 8.704570 4.865322 
13.82319 
1 1 1 30  4   13 o 25.61845 7.696872  190.3035       148.1658 109.2423       
224.3203 253.0376       197.3395 23.56793 10.64832 27.66897 11.11668 -4.101046 
15.39374 
1 1 1 30  4   14 o 22.80675 7.307093  84.53951       155.3426 -29.59875      
228.6364 182.4068       211.7135 20.61663 9.782774 24.99686 10.85688 -4.380224 
14.61419 
1 1 1 30  4   15 o 21.54760 10.04529  38.85052       222.0407 38.85052       
222.0407 0.000000       0.000000 21.54760 10.04529 ?        ?        ? ? 
1 1 1 30  5   0  o 21.82012 6.675913  44.82195       115.2684 152.5388       
171.8562 -43.26480      155.4099 25.17708 10.27296 18.46316 8.528625 6.713919 
13.35183 
1 1 1 30  5   1  o 27.46252 7.640307  203.0329       127.9967 183.7015       
169.9489 228.3707       194.5678 26.51050 10.43073 28.41453 11.16679 -1.904030 
15.28061 
1 1 1 30  5   2  o 21.75257 6.849304  34.16358       123.3760 10.36020       
158.3662 70.91732       196.7860 20.15795 9.034317 23.34719 10.29723 -3.189240 
13.69861 
1 1 1 30  5   3  f 29.85141 8.166142  259.5134       145.4613 285.9021       
214.5465 237.0633       197.8884 30.76415 11.80491 28.93867 11.28661 1.825476 
16.33228 
1 1 1 30  5   4  o 23.78410 7.255310  85.19461       126.9534 153.0946       
212.1385 47.30875       158.4613 26.21129 11.10986 21.35691 9.334299 4.854382 
14.51062 
1 1 1 30  5   5  o 23.46409 7.273540  65.59698       131.3689 143.0381       
222.0582 23.90042       162.9413 26.10275 11.22455 20.82542 9.253489 5.277330 
14.54708 
1 1 1 30  5   6  o 34.43246 8.235092  364.8957       139.8575 354.0938       
240.4364 370.4196       171.9385 33.09861 12.55591 35.76631 10.65909 -2.667694 
16.47018 
1 1 1 30  5   7  o 29.33892 8.134255  227.7750       138.6338 340.4850       
242.7876 173.2470       168.8711 32.47438 12.53526 26.20347 10.36975 6.270906 
16.26851 
1 1 1 30  5   8  o 20.34970 6.816833  -100.2603      152.9664 -68.15954      
237.7094 -122.9478      199.8399 21.61379 10.15467 19.08562 9.097226 2.528166 
13.63367 
1 1 1 30  5   9  o 24.79558 7.407604  101.0832       135.5666 -8.329676      
179.3862 246.7833       207.0069 20.52203 9.354693 29.06913 11.48826 -8.547102 
14.81521 
1 1 1 30  5   10 o 21.84823 7.058488  4.929162       142.3602 71.02261       
220.8033 -42.09044      186.2369 23.76338 10.65846 19.93307 9.256688 3.830303 
14.11698 
1 1 1 30  5   11 o 27.51040 7.440703  217.1767       131.8780 46.62219       
230.5373 300.1357       160.7835 23.28318 10.61106 31.73762 10.43368 -8.454437 
14.88141 
1 1 1 30  5   12 o 27.73599 8.035865  231.4510       149.6015 204.8000       
229.0507 251.2779       197.5616 26.96419 11.49064 28.50780 11.23681 -1.543613 
16.07173 
1 1 1 30  5   13 o 24.05725 7.221936  18.98040       133.0871 371.7975       
225.7854 -168.8689      164.7501 32.07829 12.16779 16.03621 7.782696 16.04208 
14.44387 
1 1 1 30  5   14 o 23.97682 7.633691  112.2924       162.7800 24.92662       
224.4771 209.1824       236.3965 21.76168 10.12773 26.19197 11.42462 -4.430290 
15.26738 
1 1 1 30  5   15 o 24.77131 7.710694  138.7109       163.1194 -30.64755      
226.4439 321.3813       235.1751 20.52641 9.737970 29.01620 11.95789 -8.489798 
15.42139 
1 1 1 30  5   16 o 20.13026 9.911021  -177.3821      290.8072 -177.3821      
290.8072 0.000000       0.000000 20.13026 9.911021 ?        ?        ? ? 
1 1 1 30  6   0  o 21.23357 6.768417  11.24891       126.9882 -37.67029      
170.3456 72.44144       190.5200 19.38874 8.945828 23.07841 10.15963 -3.689667 
13.53683 
1 1 1 30  6   1  o 18.34614 6.065793  -71.23669      115.6746 -22.59903      
144.9159 -156.6433      192.0329 18.55073 8.443181 18.14155 8.711375 0.4091854 
12.13159 
1 1 1 30  6   2  o 23.61853 7.004979  107.3428       113.7835 114.6125       
139.7904 93.07092       195.8664 23.20909 9.343272 24.02797 10.43945 
-0.8188858     14.00996 
1 1 1 30  6   3  o 25.35751 7.638902  117.6416       147.9948 12.74748       
217.0372 208.8003       202.3286 22.68809 10.32799 28.02692 11.25806 -5.338831 
15.27780 
1 1 1 30  6   4  o 23.79285 7.221210  34.30985       145.0136 -194.3349      
212.7343 232.7731       198.1969 18.63421 9.000828 28.95149 11.29463 -10.31728 
14.44242 
1 1 1 30  6   5  o 21.73637 7.108087  -33.12408      153.4802 -70.89737      
234.4933 -4.814552      203.0039 21.65206 10.15568 21.82067 9.947956 
-0.1686096     14.21617 
1 1 1 30  6   6  o 18.57304 6.353851  -199.9290      150.4111 -266.9643      
236.2896 -154.2617      195.0271 18.69619 9.129157 18.44989 8.839920 0.2463036 
12.70770 
1 1 1 30  6   7  o 26.14770 7.733822  133.3295       154.5463 -55.38885      
242.6532 262.1286       200.4635 22.20229 10.39883 30.09311 11.45043 -7.890820 
15.46764 
1 1 1 30  6   8  o 33.80349 7.907569  261.7167       136.4356 619.4267       
240.3448 91.64046       165.7262 44.49629 12.40586 23.11069 9.808840 21.38561 
15.81514 
1 1 1 30  6   9  o 23.86953 7.459077  77.14808       146.8249 63.74274       
219.7975 87.94994       197.3027 23.86480 10.67077 23.87427 10.42526 
-0.9468079E-02 14.91815 
1 1 1 30  6   10 o 26.38854 7.292658  136.0837       130.7287 -39.11709      
180.0468 331.4391       190.1210 19.84808 9.172713 32.92900 11.33988 -13.08092 
14.58532 
1 1 1 30  6   11 f 31.83388 8.347371  318.2414       146.9765 351.2385       
226.5695 294.2668       193.1257 32.69817 12.24151 30.96959 11.35164 1.728584 
16.69474 
1 1 1 30  6   12 o 22.14373 7.064777  16.62466       146.4200 -140.8655      
224.1179 133.9014       193.3997 19.58523 9.406173 24.70224 10.54363 -5.117006 
14.12955 
1 1 1 30  6   13 o 29.15197 8.111695  232.2733       161.0840 458.3217       
233.3477 26.48825       222.6434 35.91875 12.54431 22.38518 10.28779 13.53357 
16.22339 
1 1 1 30  6   14 o 21.31017 7.075408  -22.78512      161.9077 37.62386       
225.3521 -87.23792      232.7725 22.33775 10.29994 20.28260 9.703446 2.055151 
14.15082 
1 1 1 30  6   15 o 23.70712 7.669330  102.2160       172.0115 58.84698       
248.2364 142.2744       238.5733 22.91732 10.65964 24.49693 11.02935 -1.579605 
15.33866 
1 1 1 30  6   16 o 32.32156 9.091827  393.0296       188.9686 734.2369       
307.0105 184.9171       239.7691 39.50493 14.32883 25.13819 11.19508 14.36674 
18.18365 
1 1 1 30  6   17 o 23.82060 11.22641  101.3814       294.9641 101.3814       
294.9641 0.000000       0.000000 23.82060 11.22641 ?        ?        ? ? 
1 1 1 30  7   0  o 27.83304 10.49240  214.3929       167.0271 214.3929       
167.0271 0.000000       0.000000 27.83304 10.49240 ?        ?        ? ? 
1 1 1 30  7   1  o 21.66586 6.833915  26.37446       129.1951 99.38993       
156.3987 -130.4924      229.2404 23.04341 9.641379 20.28831 9.687795 2.755096 
13.66783 
1 1 1 30  7   2  o 28.87447 7.358988  172.8934       116.5654 51.24188       
142.8440 415.3697       201.6684 20.85834 8.986475 36.89061 11.65599 -16.03227 
14.71798 
1 1 1 30  7   3  o 20.39560 6.644416  -38.78549      129.8573 -77.96046      
172.0696 13.04691       197.9249 18.74366 8.774963 22.04754 9.979633 -3.303879 
13.28883 
1 1 1 30  7   4  o 26.75064 7.714226  159.0136       144.7044 27.51124       
216.2868 265.5735       194.6975 23.10145 10.44576 30.39983 11.35444 -7.298380 
15.42845 
1 1 1 30  7   5  o 27.89656 7.707698  205.9586       134.2316 110.7406       
231.8551 253.9639       164.6274 25.66646 11.25375 30.12667 10.53506 -4.460218 
15.41540 
1 1 1 30  7   6  o 24.44940 7.373068  50.35772       152.1049 -213.8999      
233.6387 244.7492       200.3871 19.35673 9.364067 29.54207 11.39135 -10.18535 
14.74614 
1 1 1 30  7   7  o 21.06248 6.977052  -88.07539      151.9199 20.53334       
237.8265 -162.9416      197.4561 23.66502 10.78304 18.45996 8.856808 5.205061 
13.95410 
1 1 1 30  7   8  o 24.20642 7.579010  63.98954       152.6081 142.8186       
228.1677 0.1804708      205.2827 26.37461 11.36026 22.03823 10.03544 4.336374 
15.15802 
1 1 1 30  7   9  o 29.13463 7.644825  219.5560       143.1316 5.137289       
218.4949 380.7367       189.4377 22.57843 10.30070 35.69083 11.29906 -13.11240 
15.28965 
1 1 1 30  7   10 o 21.85432 7.070414  -5.437106      145.4457 14.19446       
219.5287 -20.79654      194.1787 22.72761 10.35699 20.98103 9.627865 1.746580 
14.14083 
1 1 1 30  7   11 o 25.91692 7.524153  132.8599       145.5532 -63.13704      
219.8771 285.7431       194.1938 21.01730 9.853653 30.81655 11.37352 -9.799246 
15.04831 
1 1 1 30  7   12 o 20.95366 6.817074  -16.54690      136.5896 -54.96154      
183.0593 31.70209       205.1576 19.52599 9.109862 22.38134 10.14398 -2.855358 
13.63415 
1 1 1 30  7   13 o 44.21126 8.839149  644.1674       171.1840 631.4373       
235.9058 658.3259       248.7890 44.06954 12.29202 44.35297 12.70545 
-0.2834282     17.67830 
1 1 1 30  7   14 o 24.46881 7.742336  107.5419       164.8579 161.8370       
232.3889 52.53504       233.9070 25.74832 11.27833 23.18929 10.61011 2.559029 
15.48467 
1 1 1 30  7   15 o 19.86972 6.840241  -185.7485      178.5950 -22.25300      
269.5072 -313.7589      238.4734 22.27537 10.59416 17.46407 8.655596 4.811300 
13.68048 
1 1 1 30  7   16 o 22.94309 7.464481  81.71963       161.3376 -1.219828      
297.1232 116.3994       192.1295 22.79360 10.91871 23.09258 10.18114 
-0.2989845     14.92896 
1 1 1 30  7   17 o 26.29653 8.377285  229.3547       192.5420 306.4137       
297.0401 173.5152       252.8563 27.71879 12.39916 24.87428 11.26838 2.844513 
16.75457 
1 1 1 30  8   0  o 28.09055 7.553668  221.7343       133.0391 298.6103       
163.1507 69.17279       229.8349 32.03069 10.51021 24.15042 10.85205 7.880272 
15.10734 
1 1 1 30  8   1  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 30  8   2  o 26.28296 7.798603  144.2981       149.9723 240.2701       
208.2024 40.80188       216.2099 29.23671 11.53185 23.32920 10.50187 5.907505 
15.59721 
1 1 1 30  8   3  o 19.21601 6.454700  -130.3652      141.7167 -89.66080      
205.9254 -166.9885      195.3294 20.15744 9.465857 18.27459 8.777823 1.882851 
12.90940 
1 1 1 30  8   4  o 34.67832 8.370809  377.6018       159.5730 208.1843       
252.7847 489.8379       205.7491 28.69616 12.14354 40.66048 11.52460 -11.96433 
16.74162 
1 1 1 30  8   5  o 25.21078 7.391144  131.4207       131.8658 15.85319       
229.3840 188.4642       161.1567 23.34827 10.62562 27.07329 10.27678 -3.725019 
14.78229 
1 1 1 30  8   6  o 33.34073 8.342256  296.7200       155.3759 538.1938       
241.0692 125.1240       203.2171 41.23495 12.68937 25.44651 10.83294 15.78844 
16.68451 
1 1 1 30  8   7  o 28.32437 7.971225  160.8013       150.4966 382.6931       
232.5455 0.8916131      197.4125 34.82419 12.48643 21.82454 9.912158 12.99965 
15.94245 
1 1 1 30  8   8  o 25.00476 7.062688  84.61595       132.0696 285.3502       
179.2037 -154.0276      195.3940 31.48277 10.99325 18.52675 8.869872 12.95602 
14.12538 
1 1 1 30  8   9  o 27.55458 7.911357  191.3107       141.8432 198.8229       
217.6175 185.7618       187.0320 27.96311 11.50982 27.14605 10.85736 0.8170547 
15.82271 
1 1 1 30  8   10 o 23.09148 7.326958  41.93854       146.1996 37.23927       
226.7882 45.28013       191.2417 23.58022 10.67749 22.60273 10.03636 0.9774857 
14.65392 
1 1 1 30  8   11 o 26.44542 7.823331  155.0315       145.2631 236.3336       
221.1007 93.28461       192.6845 28.96968 11.71397 23.92117 10.37308 5.048510 
15.64666 
1 1 1 30  8   12 o 28.35376 8.224898  218.0218       158.5078 145.4948       
222.2403 293.1153       226.1381 25.96418 11.19792 30.74334 12.05000 -4.779161 
16.44980 
1 1 1 30  8   13 o 19.56451 6.460355  -122.9988      144.5299 69.85780       
182.3798 -448.5787      236.9672 22.63654 9.952783 16.49247 8.239348 6.144073 
12.92071 
1 1 1 30  8   14 o 24.27589 7.709391  89.18715       165.1193 141.2782       
228.1818 31.92573       239.2383 25.42867 11.15677 23.12311 10.64262 2.305561 
15.41878 
1 1 1 30  8   15 o 23.87907 7.884117  10.91271       186.2052 233.8589       
306.9603 -118.8905      234.2204 27.77296 12.50714 19.98519 9.602529 7.787769 
15.76823 
1 1 1 30  8   16 o 22.82364 7.625101  9.228492       188.0622 114.6028       
290.2526 -67.01691      246.8969 24.77742 11.52549 20.86985 9.986583 3.907572 
15.25020 
1 1 1 30  8   17 o 20.89346 7.184775  -106.9930      197.7832 -167.1107      
313.7156 -67.33485      254.8008 21.00999 10.32795 20.77693 9.990868 0.2330570 
14.36955 
1 1 1 30  8   18 o 19.07371 9.427757  -246.8143      278.1613 -246.8143      
278.1613 0.000000       0.000000 19.07371 9.427757 ?        ?        ? ? 
1 1 1 30  9   0  o 22.82022 7.162093  6.335371       129.0969 -90.48150      
155.8761 217.7718       230.3531 17.43497 8.200565 28.20547 11.74449 -10.77051 
14.32419 
1 1 1 30  9   1  o 36.97236 8.118945  405.0635       132.9053 385.9561       
158.2842 450.7340       244.7121 37.24634 9.935700 36.69838 12.84332 0.5479546 
16.23789 
1 1 1 30  9   2  o 28.38676 7.983525  209.8071       146.2589 297.8808       
206.9948 121.9940       206.6882 31.51913 11.72042 25.25438 10.84336 6.264753 
15.96705 
1 1 1 30  9   3  o 30.08459 11.84203  259.5171       219.1364 259.5171       
219.1364 0.000000       0.000000 30.08459 11.84203 ?        ?        ? ? 
1 1 1 30  9   4  o 24.89090 7.650784  100.5904       149.1994 55.57539       
234.5066 131.2034       193.3883 24.39041 10.96073 25.39138 10.67709 -1.000978 
15.30157 
1 1 1 30  9   5  o 23.39647 7.428869  34.07638       149.2896 84.52116       
233.9535 -0.5735793     193.8977 25.12796 11.13632 21.66498 9.835387 3.462986 
14.85774 
1 1 1 30  9   6  o 29.94536 8.007859  248.8237       139.6364 303.3266       
198.0990 195.0015       196.8583 32.14642 11.52476 27.74429 11.12130 4.402132 
16.01572 
1 1 1 30  9   7  o 24.90283 7.594877  100.2645       146.9348 25.15595       
219.8807 160.8671       197.5094 23.26872 10.52622 26.53693 10.95114 -3.268215 
15.18975 
1 1 1 30  9   8  o 25.05685 7.393813  95.23473       143.9922 -110.8285      
223.6975 241.0187       188.1550 20.62039 9.735273 29.49330 11.13096 -8.872911 
14.78763 
1 1 1 30  9   9  o 26.03767 7.738157  139.4446       142.4824 196.0670       
216.6486 96.28756       189.1419 27.93308 11.48857 24.14225 10.36962 3.790833 
15.47631 
1 1 1 30  9   10 o 19.57006 6.427059  -59.27846      127.1123 -42.54545      
175.6073 -77.69518      184.2305 19.75799 9.103531 19.38212 9.074915 0.3758659 
12.85412 
1 1 1 30  9   11 o 24.95976 7.649481  91.78303       150.7068 204.1687       
222.1056 -4.111735      205.1642 28.04767 11.59628 21.87185 9.979209 6.175819 
15.29896 
1 1 1 30  9   12 o 18.49915 6.364151  -234.2578      158.7321 -209.0239      
219.0055 -262.1832      230.3892 18.60476 9.011690 18.39353 8.988834 0.2112274 
12.72830 
1 1 1 30  9   13 o 22.68790 7.341175  -7.748847      160.4450 -137.1482      
225.0791 125.9325       228.7729 19.88427 9.519808 25.49153 11.17786 -5.607256 
14.68235 
1 1 1 30  9   14 o 30.35856 7.872465  273.9452       161.1513 -50.17030      
267.7504 458.0460       201.7939 22.59390 10.66224 38.12323 11.58531 -15.52933 
15.74493 
1 1 1 30  9   15 o 23.07789 7.512126  35.64669       168.9177 55.58541       
238.1930 15.47435       239.5845 23.47025 10.72540 22.68553 10.52112 0.7847176 
15.02425 
1 1 1 30  9   16 o 38.13514 9.662918  587.2766       194.8779 631.5005       
304.5327 556.6078       253.6027 38.11145 14.20726 38.15882 13.10120 
-0.4737091E-01 19.32584 
1 1 1 30  9   17 o 27.42329 8.461007  253.2014       193.5030 96.10899       
297.1328 368.8892       254.9861 24.32569 11.41371 30.52090 12.49327 -6.195213 
16.92201 
1 1 1 30  9   18 o 23.43402 7.692769  86.14914       185.5969 -39.05506      
273.4768 193.0518       252.7001 21.52019 10.34883 25.34786 11.38493 -3.827675 
15.38554 
1 1 1 30  9   19 o 31.11250 12.96566  441.3824       281.1068 441.3824       
281.1068 0.000000       0.000000 31.11250 12.96566 ?        ?        ? ? 
1 1 1 30  10  0  o 31.44818 7.682785  194.6417       134.2908 4.404380       
163.6336 587.0887       235.0255 20.14361 9.098226 42.75277 12.38237 -22.60916 
15.36557 
1 1 1 30  10  1  o 20.73760 6.809217  -121.4942      128.5905 -242.6539      
153.3185 165.9001       236.1319 14.58397 7.183885 26.89123 11.56951 -12.30726 
13.61843 
1 1 1 30  10  2  o 23.44402 7.263639  27.49277       142.3699 203.6089       
213.0835 -114.5274      191.3486 27.93949 11.42600 18.94855 8.971528 8.990940 
14.52728 
1 1 1 30  10  3  o 25.09612 7.569506  109.9160       146.2258 -2.070531      
223.8982 193.2072       193.0934 22.69635 10.38292 27.49589 11.01747 -4.799536 
15.13901 
1 1 1 30  10  4  x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 30  10  5  o 34.27731 7.622262  301.2681       158.1376 -48.71705      
228.4488 623.2629       219.1233 21.98701 10.22655 46.56761 11.30545 -24.58060 
15.24452 
1 1 1 30  10  6  o 28.42560 8.059414  208.4541       149.7007 133.2147       
226.6581 266.6700       199.3742 26.26539 11.31802 30.58581 11.47689 -4.320419 
16.11883 
1 1 1 30  10  7  o 23.58401 7.354718  48.17396       143.7712 135.0875       
211.6580 -26.28091      195.9014 25.99769 11.06125 21.17034 9.696197 4.827354 
14.70944 
1 1 1 30  10  8  o 20.54925 6.707236  -48.27414      136.7001 -123.0047      
209.1502 7.458423       180.6190 19.77614 9.371014 21.32236 9.598549 -1.546219 
13.41447 
1 1 1 30  10  9  o 23.69881 7.368334  53.93658       140.6965 147.3748       
218.1712 -12.59029      184.0915 26.45189 11.24160 20.94573 9.528687 5.506161 
14.73667 
1 1 1 30  10  10 f 20.46642 6.742488  -85.86288      140.5474 39.42691       
214.5951 -179.9754      185.9883 23.35322 10.49021 17.57963 8.473495 5.773592 
13.48498 
1 1 1 30  10  11 o 28.97326 8.204436  217.2489       156.1855 333.5191       
224.7659 108.6864       217.1882 32.78288 12.20862 25.16364 10.96360 7.619238 
16.40887 
1 1 1 30  10  12 o 25.49393 7.440427  144.7188       129.8446 103.6759       
181.8661 187.3917       185.4422 23.97461 10.22846 27.01326 10.80825 -3.038651 
14.88085 
1 1 1 30  10  13 o 30.38035 8.499652  274.2949       164.8515 372.7284       
233.5323 176.5279       232.7403 33.70668 12.46596 27.05402 11.55752 6.652657 
16.99930 
1 1 1 30  10  14 o 29.82465 8.673259  272.4901       184.2536 122.2139       
290.4650 373.6747       238.3450 26.37009 11.98908 33.27921 12.53649 -6.909117 
17.34652 
1 1 1 30  10  15 o 26.46484 8.228778  151.1921       186.7265 -23.48337      
286.2924 280.5089       246.3322 23.37196 11.02819 29.55772 12.21598 -6.185760 
16.45756 
1 1 1 30  10  16 o 29.31027 8.844340  263.7828       192.4530 474.8944       
301.0091 117.8161       250.2940 33.80866 13.66897 24.81189 11.22713 8.996777 
17.68868 
1 1 1 30  10  17 o 28.37022 8.334832  216.8159       174.8937 -4.464756      
231.1360 513.2112       267.5048 21.47045 10.07269 35.26998 13.28226 -13.79952 
16.66966 
1 1 1 30  10  18 o 23.60515 7.733806  94.50998       184.8104 35.51450       
270.9695 145.8215       252.7079 22.71827 10.72246 24.49203 11.14790 -1.773764 
15.46761 
1 1 1 30  10  19 o 25.95762 8.035729  183.5801       186.2393 -101.2001      
280.7342 407.4276       248.8952 20.77723 10.10732 31.13801 12.49535 -10.36078 
16.07146 
1 1 1 30  11  0  o 23.65614 7.295300  80.98743       128.0374 37.98929       
155.5335 171.3921       225.5249 20.73399 9.148327 26.57830 11.36634 -5.844305 
14.59060 
1 1 1 30  11  1  o 23.43526 7.373394  71.34502       134.4007 82.59843       
155.1287 37.47342       269.1337 22.32731 9.483724 24.54321 11.29277 -2.215904 
14.74679 
1 1 1 30  11  2  o 21.29263 6.663510  -119.6225      143.3238 -537.3953      
217.1634 202.7792       190.7723 14.92648 7.527325 27.65878 10.99768 -12.73230 
13.32702 
1 1 1 30  11  3  o 23.26149 7.304255  50.99532       144.4794 -8.473039      
216.7990 98.50703       193.7825 22.26590 10.19893 24.25708 10.45899 -1.991186 
14.60851 
1 1 1 30  11  4  o 27.26542 7.892174  152.3778       148.4384 309.9482       
224.2642 29.52420       198.0234 32.00090 12.13016 22.52994 10.09975 9.470957 
15.78435 
1 1 1 30  11  5  o 19.39492 6.575822  -184.8043      154.2783 -59.96205      
220.3246 -304.9066      216.1016 21.42677 9.995710 17.36308 8.547018 4.063690 
13.15164 
1 1 1 30  11  6  o 21.29267 10.24126  -181.9809      268.1196 -181.9809      
268.1196 0.000000       0.000000 21.29267 10.24126 ?        ?        ? ? 
1 1 1 30  11  7  f 25.50659 7.856787  101.5945       157.5563 50.26321       
210.8595 166.4823       237.0736 23.59941 10.50447 27.41377 11.68643 -3.814356 
15.71357 
1 1 1 30  11  8  o 20.87052 6.768211  -36.57350      137.0009 -143.3873      
212.6656 39.20168       179.1212 19.58539 9.347101 22.15566 9.791142 -2.570271 
13.53642 
1 1 1 30  11  9  o 18.49614 6.278455  -168.2005      138.2860 -125.6579      
215.0495 -198.1948      180.5701 19.98422 9.485034 17.00805 8.228615 2.976166 
12.55691 
1 1 1 30  11  10 o 32.19724 8.039427  270.6387       143.9219 485.3758       
222.4386 116.0097       188.7565 39.62984 12.18791 24.76465 10.48734 14.86519 
16.07885 
1 1 1 30  11  11 o 20.82956 6.908190  -94.66859      155.7446 3.461270       
216.7860 -199.3429      223.8983 22.55438 10.28182 19.10474 9.229116 3.449640 
13.81638 
1 1 1 30  11  12 o 37.83218 8.911787  464.3327       165.8362 463.6876       
231.2648 465.0155       237.9328 37.93442 12.51330 37.72995 12.69241 0.2044716 
17.82357 
1 1 1 30  11  13 f 26.93623 8.275096  162.3399       173.8038 147.7072       
265.6609 173.2897       229.8099 26.88212 11.89629 26.99035 11.50596 
-0.1082268     16.55019 
1 1 1 30  11  14 o 30.56761 9.006222  298.7957       192.0487 285.0384       
290.0013 309.5417       256.3051 30.18089 12.89749 30.95434 12.57390 
-0.7734528     18.01244 
1 1 1 30  11  15 o 30.74051 9.013569  307.8531       189.6698 413.3769       
290.3469 229.3006       250.5083 33.27073 13.43574 28.21030 12.01909 5.060425 
18.02714 
1 1 1 30  11  16 o 27.82298 8.649337  227.9529       196.4849 178.4080       
301.2416 264.6376       259.2137 26.92566 12.23307 28.72031 12.23095 -1.794651 
17.29867 
1 1 1 30  11  17 o 23.55967 7.751883  37.13972       186.3772 189.7435       
276.0222 -90.74174      252.6767 26.30260 11.85172 20.81674 9.995172 5.485853 
15.50377 
1 1 1 30  11  18 o 21.11862 7.151278  -121.0629      183.6933 148.1332       
270.7905 -350.5365      250.0146 24.88958 11.39973 17.34765 8.637665 7.541929 
14.30256 
1 1 1 30  11  19 o 24.33841 7.851713  142.0802       174.7709 212.9256       
277.8635 95.70621       224.8086 25.81798 11.73488 22.85883 10.43505 2.959146 
15.70343 
1 1 1 30  12  0  o 21.97664 6.966777  44.23847       125.8761 36.13036       
152.9794 61.23671       221.5008 20.48997 9.052602 23.46332 10.59218 -2.973351 
13.93355 
1 1 1 30  12  1  o 22.10023 7.271184  -29.62575      165.0114 -60.15426      
235.9778 -0.4146461     230.8300 21.60375 10.14287 22.59672 10.42126 
-0.9929676     14.54237 
1 1 1 30  12  2  f 23.85016 7.395785  83.91336       142.2678 42.72467       
219.1764 113.9032       187.0218 23.32672 10.53317 24.37361 10.38474 -1.046888 
14.79157 
1 1 1 30  12  3  o 37.51717 8.219389  405.2893       151.2796 643.3171       
233.0063 231.8408       198.9020 46.17231 11.93591 28.86204 11.30343 17.31026 
16.43878 
1 1 1 30  12  4  o 24.60725 7.316606  -32.27587      150.3434 335.0024       
224.6517 -330.1972      202.3312 32.90171 12.21494 16.31278 8.057674 16.58893 
14.63321 
1 1 1 30  12  5  o 24.95706 7.775466  83.45417       162.3181 -22.06271      
253.0327 157.2384       211.5911 23.32316 10.81513 26.59095 11.17428 -3.267792 
15.55093 
1 1 1 30  12  6  o 22.93723 7.339393  -20.74808      163.2428 -261.7295      
258.3374 139.4346       210.6218 19.81615 9.652433 26.05832 11.05881 -6.242168 
14.67879 
1 1 1 30  12  7  o 22.31763 10.43922  -58.08250      242.3456 0.000000       
0.000000 -58.08250      242.3456 ?        ?        22.31763 10.43922 ? ? 
1 1 1 30  12  8  o 24.63452 7.988685  12.12329       190.7920 97.28928       
265.2421 -79.18784      274.6447 26.19826 11.71791 23.07078 10.86126 3.127472 
15.97737 
1 1 1 30  12  9  o 25.67785 7.488300  121.3705       141.9705 -47.26313      
216.4642 248.6654       188.0700 21.53683 9.993069 29.81886 11.15514 -8.282030 
14.97660 
1 1 1 30  12  10 f 22.05399 7.109231  -10.49282      145.9418 55.15582       
213.8926 -67.67867      199.6306 23.74753 10.57481 20.36045 9.504640 3.387085 
14.21846 
1 1 1 30  12  11 o 18.86801 6.437974  -223.3674      155.0556 -385.8414      
220.9987 -65.84617      217.6042 16.61789 8.252952 21.11813 9.883262 -4.500242 
12.87595 
1 1 1 30  12  12 o 23.85688 7.643377  36.97868       165.8439 77.72628       
239.6230 -0.4851487     229.7648 24.87369 11.13123 22.84007 10.47762 2.033615 
15.28675 
1 1 1 30  12  13 o 28.17727 8.213831  194.9826       163.7388 65.92319       
229.2330 329.4227       233.9628 24.17795 10.85182 32.17659 12.33313 -7.998638 
16.42766 
1 1 1 30  12  14 o 22.27494 7.460868  -103.7908      183.7913 64.79394       
282.7458 -227.1427      241.8578 25.27972 11.60776 19.27015 9.376461 6.009577 
14.92174 
1 1 1 30  12  15 o 22.35703 7.464096  -64.39278      187.4151 -208.1383      
293.0457 35.09189       243.7902 21.19738 10.31639 23.51667 10.78995 -2.319292 
14.92819 
1 1 1 30  12  16 o 40.77702 9.538118  624.9027       193.9904 541.4916       
286.4467 695.5688       263.6559 37.04584 13.78510 44.50821 13.18612 -7.462364 
19.07624 
1 1 1 30  12  17 o 21.30056 7.191809  -77.38988      182.9163 -152.9410      
269.8306 -13.15084      248.8113 20.56108 9.972875 22.04003 10.36486 -1.478949 
14.38362 
1 1 1 30  12  18 o 20.20618 6.904759  -110.2709      176.2275 -155.4046      
274.3437 -78.56468      229.9410 20.33664 9.913297 20.07573 9.614018 0.2609119 
13.80952 
1 1 1 30  12  19 o 19.01967 6.604038  -241.0707      171.1183 40.80931       
271.3213 -427.2463      220.5023 22.70538 10.72021 15.33395 7.715591 7.371427 
13.20808 
1 1 1 30  12  20 o 20.11599 6.876297  -84.60924      173.3931 -75.06638      
275.4237 -90.87455      223.1687 20.93691 10.13517 19.29507 9.295817 1.641840 
13.75259 
1 1 1 30  13  0  o 19.63666 6.472513  -37.14244      127.1333 3.418251       
154.8024 -121.1810      222.8253 19.48798 8.823181 19.78533 9.472338 
-0.2973480     12.94503 
1 1 1 30  13  1  o 27.45228 7.801018  198.2182       131.0355 166.6669       
159.9629 262.5750       228.4588 25.52801 10.09566 29.37655 11.89542 -3.848539 
15.60204 
1 1 1 30  13  2  o 24.50608 7.507888  105.9028       141.3569 152.4038       
214.6399 70.28671       187.8464 26.03079 11.10902 22.98137 10.10264 3.049419 
15.01578 
1 1 1 30  13  3  o 25.52761 7.722703  130.2193       145.5262 176.5103       
224.8384 96.84521       190.9093 27.08173 11.45610 23.97349 10.35946 3.108240 
15.44541 
1 1 1 30  13  4  o 29.52388 8.398294  234.2940       164.5820 119.8701       
230.3768 353.5658       235.2065 25.72628 11.24932 33.32148 12.47309 -7.595196 
16.79659 
1 1 1 30  13  5  o 23.08938 7.509051  -19.11204      164.1689 94.34319       
260.2065 -94.13855      211.5988 25.85900 11.58512 20.31975 9.556592 5.539249 
15.01810 
1 1 1 30  13  6  o 39.28257 9.260798  514.5187       181.1627 462.9884       
284.9691 549.4703       234.6931 36.57137 13.72145 41.99377 12.44072 -5.422401 
18.52160 
1 1 1 30  13  7  o 28.47056 8.421917  133.1358       188.4259 -145.4085      
266.4736 411.6841       266.4754 21.72125 10.38942 35.21988 13.25800 -13.49863 
16.84383 
1 1 1 30  13  8  o 26.25632 8.345089  90.40397       194.3807 157.6873       
262.2724 8.404536       289.5372 27.53031 12.02079 24.98233 11.57855 2.547976 
16.69018 
1 1 1 30  13  9  o 23.39179 10.73533  -0.2374959     241.4950 -0.2374959     
241.4950 0.000000       0.000000 23.39179 10.73533 ?        ?        ? ? 
1 1 1 30  13  10 o 20.75786 7.049668  -153.1160      170.1657 -146.2236      
211.8895 -165.6362      285.5792 19.44481 9.291921 22.07090 10.60431 -2.626089 
14.09934 
1 1 1 30  13  11 o 27.41711 7.977841  150.0783       157.1550 -10.05642      
216.1357 329.7111       228.9162 22.22055 10.18031 32.61367 12.28597 -10.39313 
15.95568 
1 1 1 30  13  12 o 24.47954 7.851637  51.85355       174.5350 -2.658896      
275.8907 88.22739       225.3636 24.19467 11.24759 24.76441 10.95831 
-0.5697403     15.70327 
1 1 1 30  13  13 o 28.41091 8.630237  202.0810       182.3299 275.3277       
285.8792 151.8563       236.7266 30.28353 12.86908 26.53830 11.50264 3.745230 
17.26047 
1 1 1 30  13  14 o 32.05174 9.100803  340.7504       195.1739 206.2952       
294.1515 446.5019       260.8708 28.41328 12.55306 35.69020 13.18026 -7.276922 
18.20161 
1 1 1 30  13  15 f 24.90505 8.031920  75.85951       184.1678 124.6188       
282.0454 39.61711       243.1638 26.18781 11.88028 23.62228 10.81231 2.565533 
16.06384 
1 1 1 30  13  16 o 23.84587 7.548348  79.64577       160.5833 -70.01834      
266.3209 165.1442       201.2916 22.02657 10.49973 25.66516 10.84739 -3.638596 
15.09670 
1 1 1 30  13  17 o 29.01924 8.729448  278.1269       184.2785 387.9168       
284.1790 198.4606       242.0739 31.49473 13.07499 26.54375 11.56969 4.950981 
17.45890 
1 1 1 30  13  18 o 22.48867 7.356746  33.92939       170.5387 -137.7811      
274.5571 141.7940       217.6074 20.62559 10.02158 24.35175 10.77287 -3.726162 
14.71349 
1 1 1 30  13  19 o 24.47362 7.544208  159.5023       154.3828 -16.37399      
273.6229 241.6382       186.9887 21.94010 10.50220 27.00714 10.83347 -5.067039 
15.08842 
1 1 1 30  13  20 o 20.31850 6.922064  -66.86600      171.7619 -72.40028      
276.1797 -63.37525      219.3414 21.00548 10.16501 19.63153 9.398536 1.373947 
13.84413 
1 1 1 30  14  0  o 20.92535 6.771297  12.12221       128.2287 -0.8644908     
158.1412 37.05023       219.0986 19.38857 8.823317 22.46214 10.27380 -3.073568 
13.54259 
1 1 1 30  14  1  o 21.76026 6.971392  30.81389       129.0797 14.06192       
156.9446 65.83435       226.9209 19.91914 8.958215 23.60138 10.68417 -3.682240 
13.94278 
1 1 1 30  14  2  o 35.99430 8.407271  360.3348       152.9833 685.6360       
257.1378 182.1036       190.3334 45.50270 12.87938 26.48590 10.80974 19.01680 
16.81454 
1 1 1 30  14  3  o 27.27653 7.747413  185.5026       146.7947 28.64454       
226.6149 298.9067       192.6857 23.15050 10.54248 31.40256 11.35543 -8.252066 
15.49483 
1 1 1 30  14  4  o 19.05997 6.544696  -206.4787      159.8555 -267.7491      
265.8090 -171.7632      200.0811 19.80555 9.673350 18.31438 8.818076 1.491173 
13.08939 
1 1 1 30  14  5  o 21.43888 7.138017  -79.23177      163.9718 -83.61746      
260.6695 -76.36009      210.9310 22.31969 10.52916 20.55806 9.640636 1.761637 
14.27603 
1 1 1 30  14  6  o 34.83475 8.505689  388.7519       168.9665 179.6444       
267.5486 527.4827       217.9238 27.98461 12.18046 41.68489 11.87533 -13.70028 
17.01138 
1 1 1 30  14  7  o 26.67472 8.423221  116.1927       191.8994 85.33932       
258.7041 153.9368       286.1382 25.63133 11.51564 27.71812 12.29604 -2.086798 
16.84644 
1 1 1 30  14  8  o 25.65160 8.075674  76.49870       183.6564 198.0491       
241.8406 -89.10374      282.2827 28.23661 11.90985 23.06659 10.90969 5.170017 
16.15135 
1 1 1 30  14  9  o 28.37739 8.554954  179.2306       190.0273 320.3025       
252.9194 -3.632150      287.9550 32.10851 12.69564 24.64627 11.47038 7.462236 
17.10991 
1 1 1 30  14  10 o 38.05094 14.73689  552.9416       336.1449 0.000000       
0.000000 552.9416       336.1449 ?        ?        38.05094 14.73689 ? ? 
1 1 1 30  14  11 o 24.10672 7.879475  2.740449       189.0523 77.70332       
245.9514 -105.5058      295.5510 25.07070 11.24684 23.14274 11.03871 1.927958 
15.75895 
1 1 1 30  14  12 f 25.85338 8.135237  61.45853       177.3019 280.9167       
282.9996 -80.33951      227.4810 30.57816 12.88983 21.12860 9.928774 9.449568 
16.27047 
1 1 1 30  14  13 o 25.94628 8.217734  110.8724       183.7990 112.1612       
279.4875 109.8903       243.9780 26.32318 11.88988 25.56937 11.34704 0.7538109 
16.43547 
1 1 1 30  14  14 o 27.25611 8.317212  142.4315       163.1389 346.5192       
288.5290 46.52453       197.7907 31.91571 13.20756 22.59651 10.11259 9.319202 
16.63442 
1 1 1 30  14  15 o 22.35447 7.371651  -94.69930      184.2533 -423.8813      
282.0552 150.3461       243.3544 18.54412 9.225194 26.16481 11.50047 -7.620697 
14.74330 
1 1 1 30  14  16 o 26.98257 8.360147  190.7030       180.3739 194.5247       
264.5966 187.3854       246.5344 27.15948 11.96445 26.80565 11.67990 0.3538303 
16.72029 
1 1 1 30  14  17 o 26.36309 8.002864  58.01694       175.7735 477.8190       
273.2967 -238.1449      229.5496 34.59081 13.31048 18.13537 8.889009 16.45544 
16.00573 
1 1 1 30  14  18 o 27.14575 7.829031  236.7300       153.2958 58.75952       
269.1386 322.1934       186.5057 23.43694 10.97256 30.85455 11.17040 -7.417608 
15.65806 
1 1 1 30  14  19 o 24.55951 7.887477  141.0689       175.2200 233.9751       
270.3774 73.79809       230.0709 26.48192 11.83816 22.63711 10.42627 3.844814 
15.77495 
1 1 1 30  14  20 o 18.49490 6.355404  -143.5576      156.6535 -118.4329      
223.0244 -168.0250      220.0879 18.89324 9.141418 18.09657 8.831711 0.7966747 
12.71081 
1 1 1 30  15  0  o 21.69011 6.895566  59.25906       127.4509 71.15147       
155.9408 35.33263       221.1891 21.21354 9.265802 22.16668 10.21471 
-0.9531384     13.79113 
1 1 1 30  15  1  f 24.09108 7.402987  120.3088       140.5590 165.3680       
170.5253 24.81183       248.2516 25.15844 10.24389 23.02372 10.69017 2.134718 
14.80597 
1 1 1 30  15  2  o 21.04926 6.922930  -80.12368      152.9574 117.3173       
221.5748 -259.8682      211.4119 24.77274 10.92619 17.32578 8.504479 7.446964 
13.84586 
1 1 1 30  15  3  f 20.73037 6.974696  -107.7383      163.1705 -31.13995      
250.7632 -163.9859      214.8851 22.51442 10.54970 18.94632 9.126295 3.568094 
13.94939 
1 1 1 30  15  4  o 26.32949 8.043063  142.5294       160.7204 235.2344       
250.8664 77.98819       209.3193 28.84573 12.14664 23.81324 10.54621 5.032492 
16.08613 
1 1 1 30  15  5  o 20.79781 6.975065  -119.8881      159.3845 6.794116       
252.2134 -204.1152      205.6535 23.54780 10.87259 18.04783 8.740311 5.499968 
13.95013 
1 1 1 30  15  6  f 24.56464 7.794319  53.75499       164.2227 173.7240       
258.5503 -27.37646      212.6205 27.53436 11.97901 21.59491 9.975418 5.939455 
15.58864 
1 1 1 30  15  7  o 30.38835 8.761268  268.8629       184.0161 366.4670       
243.6649 139.3065       280.7295 33.63774 12.67483 27.13897 12.09909 6.498775 
17.52254 
1 1 1 30  15  8  o 20.47773 7.000385  -202.4248      182.7567 -114.8576      
233.6749 -340.3587      293.2763 20.82998 9.886834 20.12548 9.913227 0.7045059 
14.00077 
1 1 1 30  15  9  o 24.51541 7.946068  32.99219       182.9117 29.68199       
236.5430 37.91522       288.4693 23.73062 10.79709 25.30020 11.66117 -1.569586 
15.89214 
1 1 1 30  15  10 o 32.71033 9.268897  314.4191       192.3896 178.5148       
245.8443 529.1553       309.0268 27.57545 11.83247 37.84522 14.27033 -10.26977 
18.53779 
1 1 1 30  15  11 o 23.85944 7.841830  -5.934641      187.4644 -15.09930      
246.4939 6.638301       288.7131 23.05638 10.68492 24.66251 11.48084 -1.606125 
15.68366 
1 1 1 30  15  12 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 30  15  13 f 26.80368 8.119839  167.7457       164.3206 121.1672       
251.4461 202.4654       217.0898 25.92427 11.51010 27.68309 11.45621 -1.758821 
16.23968 
1 1 1 30  15  14 o 19.49695 6.648418  -155.1157      156.5895 -219.7175      
265.0550 -120.4794      194.0795 20.22190 9.832086 18.77200 8.951868 1.449896 
13.29684 
1 1 1 30  15  15 o 26.79591 8.311664  168.8130       181.1160 98.97090       
260.1223 234.5326       252.3288 25.18358 11.41775 28.40823 12.08180 -3.224657 
16.62333 
1 1 1 30  15  16 o 41.31550 9.445787  614.9809       185.7759 697.3493       
280.1805 550.3558       248.1750 43.36462 13.74262 39.26638 12.96271 4.098244 
18.89157 
1 1 1 30  15  17 o 26.29697 8.106907  144.0580       169.0203 370.4471       
267.9090 -5.625867      217.8448 31.24504 12.80053 21.34889 9.951598 9.896147 
16.21381 
1 1 1 30  15  18 o 27.03296 8.116705  229.3409       170.6232 69.98257       
269.1814 336.3691       220.6007 23.63202 11.03380 30.43391 11.90709 -6.801891 
16.23341 
1 1 1 30  15  19 o 24.95372 7.769279  173.9522       159.0098 224.8544       
224.4774 122.6888       225.2723 26.27430 11.29148 23.63315 10.67471 2.641150 
15.53856 
1 1 1 30  15  20 o 22.40355 7.413619  48.76419       171.1276 134.8995       
269.6734 -9.304326      221.4205 24.17739 11.19353 20.62972 9.723781 3.547665 
14.82724 
1 1 1 30  16  0  o 20.19732 6.640190  -14.81092      132.3950 -67.03137      
168.2380 70.13520       214.5732 17.92112 8.455537 22.47352 10.24072 -4.552399 
13.28038 
1 1 1 30  16  1  o 24.73577 7.505074  154.8820       137.4161 174.7349       
165.2110 110.3138       247.5370 25.13102 10.14063 24.34052 11.06671 0.7905064 
15.01015 
1 1 1 30  16  2  o 24.40808 7.644589  107.4029       149.1535 192.0465       
249.1625 60.13198       186.2014 26.73077 11.69369 22.08539 9.849702 4.645386 
15.28918 
1 1 1 30  16  3  o 23.25474 7.328669  68.60925       149.3559 -73.05229      
252.5266 144.8245       185.2260 21.64560 10.27583 24.86388 10.45203 -3.218279 
14.65734 
1 1 1 30  16  4  o 23.38082 7.483715  44.57543       161.8629 -72.74989      
255.2438 123.4944       209.3390 21.90887 10.36775 24.85277 10.79508 -2.943897 
14.96743 
1 1 1 30  16  5  o 22.21452 7.180263  -18.49240      158.8426 -230.1439      
252.4449 120.2225       204.3701 19.63140 9.558736 24.79763 10.71706 -5.166229 
14.36053 
1 1 1 30  16  6  o 29.76898 7.912536  227.7480       157.5471 -32.04689      
233.9338 443.3846       213.1273 22.13947 10.31719 37.39849 11.99952 -15.25902 
15.82507 
1 1 1 30  16  7  o 31.51952 8.990686  319.1509       184.7360 346.6336       
243.7778 282.0797       283.1284 32.62428 12.56750 30.41477 12.86032 2.209511 
17.98137 
1 1 1 30  16  8  o 27.98120 8.448938  185.0150       184.3874 302.5058       
243.0596 25.73853       283.0001 31.18599 12.40941 24.77641 11.46929 6.409586 
16.89788 
1 1 1 30  16  9  o 25.93076 8.224648  74.30871       183.5859 -47.83190      
238.0893 253.4257       288.3223 22.08044 10.33440 29.78108 12.79764 -7.700644 
16.44930 
1 1 1 30  16  10 o 25.91079 8.242425  101.6216       187.6592 119.7582       
244.2419 75.48628       293.1947 25.88197 11.43617 25.93960 11.87284 
-0.5763245E-01 16.48485 
1 1 1 30  16  11 f 23.54855 7.695923  -22.91411      186.7663 126.2469       
244.5947 -231.4933      289.2377 26.00470 11.47333 21.09239 10.26020 4.912306 
15.39185 
1 1 1 30  16  12 o 23.59837 7.765036  -6.755349      187.4258 12.08907       
249.9300 -30.97110      283.3191 23.52346 10.84682 23.67328 11.11438 
-0.1498241     15.53007 
1 1 1 30  16  13 o 33.56367 12.28732  369.0147       226.2148 0.000000       
0.000000 369.0147       226.2148 ?        ?        33.56367 12.28732 ? ? 
1 1 1 30  16  14 o 33.60774 12.17626  372.8478       221.6426 372.8478       
221.6426 0.000000       0.000000 33.60774 12.17626 ?        ?        ? ? 
1 1 1 30  16  15 o 21.76948 7.278989  -59.78955      171.2568 9.835678       
265.8113 -109.2014      223.9265 23.46696 10.95975 20.07200 9.582204 3.394962 
14.55798 
1 1 1 30  16  16 o 25.00242 7.927804  106.1047       170.4609 224.3360       
264.0589 21.63406       223.1966 27.69953 12.07846 22.30532 10.27186 5.394207 
15.85561 
1 1 1 30  16  17 o 26.78647 8.040014  203.2516       169.8279 21.04363       
268.7897 324.3203       219.1012 23.09050 10.83804 30.48244 11.87873 -7.391937 
16.08003 
1 1 1 30  16  18 f 20.09483 6.869060  -144.0267      169.8960 37.69299       
272.1264 -260.1031      217.4911 23.06836 10.84588 17.12131 8.432251 5.947054 
13.73812 
1 1 1 30  16  19 o 24.54680 7.868809  148.9588       171.2185 200.1932       
273.4335 115.9121       219.6014 25.73009 11.68054 23.36351 10.54692 2.366585 
15.73762 
1 1 1 30  16  20 o 28.03877 8.543409  308.6257       182.1053 316.2855       
273.6909 302.5406       243.9405 28.04803 12.26296 28.02952 11.89870 
0.1850700E-01  17.08682 
1 1 1 30  17  0  o 23.31793 7.208375  100.0228       130.5062 7.396309       
163.6046 262.0842       216.4052 19.25710 8.837059 27.37876 11.39074 -8.121662 
14.41675 
1 1 1 30  17  1  o 21.87692 7.133465  1.985209       144.9885 -111.2281      
180.7250 206.4493       242.8723 17.64450 8.467430 26.10935 11.48250 -8.464853 
14.26693 
1 1 1 30  17  2  o 21.18024 6.962568  4.801842       145.8448 -6.654237      
248.3298 10.83395       180.1961 22.02932 10.35836 20.33116 9.306649 1.698154 
13.92514 
1 1 1 30  17  3  o 22.95657 7.343247  68.65754       149.5995 6.972306       
256.0115 100.6421       184.3484 22.78293 10.67266 23.13020 10.08898 
-0.3472710     14.68649 
1 1 1 30  17  4  o 23.85803 7.511875  81.77303       157.6259 -39.00993      
242.7091 169.8767       207.2909 21.82498 10.25593 25.89107 10.97857 -4.066088 
15.02375 
1 1 1 30  17  5  o 23.63725 7.400332  69.98476       151.8959 -59.40768      
228.6079 172.2619       203.2479 21.14643 9.941856 26.12808 10.96445 -4.981653 
14.80066 
1 1 1 30  17  6  f 25.46827 7.940655  123.5866       166.6563 176.3723       
234.1358 69.37791       237.2707 26.78366 11.52184 24.15286 10.92992 2.630800 
15.88131 
1 1 1 30  17  7  o 34.16686 9.477270  396.4758       190.6251 319.1828       
236.3113 540.4727       322.5453 31.43641 12.31879 36.89730 14.40562 -5.460892 
18.95454 
1 1 1 30  17  8  o 32.47398 8.467168  279.8842       189.3988 618.4651       
259.7038 -104.7827      276.8149 42.68190 13.17801 22.26605 10.63540 20.41585 
16.93434 
1 1 1 30  17  9  o 32.87273 9.126245  367.4176       189.1258 434.7704       
250.6665 278.4060       288.1655 35.59880 12.94392 30.14667 12.86889 5.452127 
18.25249 
1 1 1 30  17  10 o 25.30235 8.133225  64.52181       185.1444 -20.24710      
239.1625 191.2982       292.4785 22.51416 10.46860 28.09054 12.45013 -5.576380 
16.26645 
1 1 1 30  17  11 o 24.45121 7.932154  -24.23607      186.9070 -223.0658      
244.9452 252.8938       289.1812 19.44897 9.454858 29.45345 12.73899 -10.00447 
15.86431 
1 1 1 30  17  12 o 26.69127 8.252657  137.2273       177.1458 21.92708       
236.0703 285.8271       268.0005 23.18805 10.63020 30.19449 12.62633 -7.006443 
16.50531 
1 1 1 30  17  13 o 20.65840 6.885116  -83.61774      156.8041 -169.9234      
224.4116 -1.281899      219.1897 19.24332 9.283338 22.07348 10.17049 -2.830160 
13.77023 
1 1 1 30  17  14 o 24.27235 7.552286  64.93240       156.0411 -94.05511      
214.8718 242.3370       226.9762 20.00794 9.489109 28.53675 11.75180 -8.528816 
15.10457 
1 1 1 30  17  15 o 23.42461 10.65789  59.26789       230.4863 0.000000       
0.000000 59.26789       230.4863 ?        ?        23.42461 10.65789 ? ? 
1 1 1 30  17  16 o 25.94748 7.850769  159.2068       155.1444 292.0532       
230.7059 49.53289       209.6212 29.48511 11.94785 22.40986 10.18759 7.075241 
15.70154 
1 1 1 30  17  17 o 22.29269 7.281406  23.56469       165.9357 -139.4513      
267.2720 125.8112       211.6716 20.53708 9.950049 24.04831 10.63353 -3.511225 
14.56281 
1 1 1 30  17  18 o 25.76162 8.040675  194.0491       172.5121 137.8018       
268.9943 233.3459       224.8383 24.74402 11.34509 26.77922 11.39731 -2.035200 
16.08135 
1 1 1 30  17  19 o 28.00903 8.398705  256.3997       170.4800 471.9896       
272.2251 117.2933       218.6692 32.69258 13.08917 23.32548 10.52742 9.367098 
16.79741 
1 1 1 30  17  20 o 21.22271 7.164966  -22.21663      173.8472 49.73055       
276.8969 -69.03024      223.3559 22.78161 10.78915 19.66381 9.430862 3.117800 
14.32993 
1 1 1 30  18  0  o 25.12104 7.238887  181.0645       136.0768 308.0789       
175.1573 -12.29906      216.1170 29.83177 10.82275 20.41032 9.616342 9.421444 
14.47777 
1 1 1 30  18  1  o 21.46524 7.035999  20.51457       139.8011 -47.78400      
169.7087 164.7183       246.5963 18.20594 8.561300 24.72454 11.16805 -6.518604 
14.07200 
1 1 1 30  18  2  o 20.70737 6.865046  -2.354929      146.0580 -31.66229      
247.4869 13.30793       180.9253 21.25758 10.13004 20.15716 9.268102 1.100414 
13.73009 
1 1 1 30  18  3  o 24.31584 7.401864  133.1773       148.4589 -68.27139      
250.3311 242.4664       184.3831 21.01017 10.05423 27.62152 10.86567 -6.611345 
14.80373 
1 1 1 30  18  4  o 22.02388 7.257236  10.05136       159.9499 19.72418       
261.6394 4.278965       202.1177 22.98944 10.77296 21.05833 9.726933 1.931110 
14.51447 
1 1 1 30  18  5  o 23.51472 7.378849  74.76251       152.3716 -60.57938      
227.4023 185.0374       205.2660 20.83679 9.831004 26.19266 11.00641 -5.355875 
14.75770 
1 1 1 30  18  6  o 29.67139 8.524041  282.6172       166.6279 328.5228       
238.2317 238.6508       233.1455 31.11981 12.31619 28.22296 11.78765 2.896851 
17.04808 
1 1 1 30  18  7  o 35.23727 9.481870  465.1523       194.3314 467.1898       
250.3822 462.0655       308.1877 36.17376 12.95783 34.30079 13.84623 1.872978 
18.96374 
1 1 1 30  18  8  o 25.39742 8.278262  46.96476       191.8893 -58.18135      
234.5054 260.0278       333.8185 21.41600 10.06879 29.37883 13.14298 -7.962833 
16.55652 
1 1 1 30  18  9  o 27.50533 8.425249  152.3259       182.5704 -7.302919      
239.3971 374.2175       282.2499 22.57762 10.48871 32.43303 13.18811 -9.855408 
16.85050 
1 1 1 30  18  10 o 31.22476 13.07521  332.8760       288.0059 0.000000       
0.000000 332.8760       288.0059 ?        ?        31.22476 13.07521 ? ? 
1 1 1 30  18  11 o 25.73482 8.253267  88.60621       198.3586 232.0615       
275.1424 -66.64246      286.2287 28.55471 12.38911 22.91492 10.90760 5.639791 
16.50653 
1 1 1 30  18  12 o 23.09188 7.455143  24.60611       159.6622 -50.17348      
210.6996 125.4553       244.6855 20.68257 9.687573 25.50121 11.33435 -4.818640 
14.91029 
1 1 1 30  18  13 o 25.69838 7.809329  136.3923       155.0465 30.57450       
211.1949 260.0947       228.3458 22.36398 10.18248 29.03278 11.84312 -6.668798 
15.61866 
1 1 1 30  18  14 o 23.03231 7.397857  25.53315       158.8509 -105.7883      
218.4091 173.0131       231.4565 19.81870 9.461789 26.24592 11.37487 -6.427223 
14.79571 
1 1 1 30  18  15 o 19.97242 6.732045  -91.12776      155.1203 -97.65193      
216.6562 -84.26573      222.1953 19.75752 9.430475 20.18731 9.609779 
-0.4297924     13.46409 
1 1 1 30  18  16 o 23.29320 7.406540  67.19518       159.2224 -93.06470      
239.0261 195.0320       213.4819 20.43223 9.788921 26.15417 11.11775 -5.721949 
14.81308 
1 1 1 30  18  17 o 23.17593 10.78887  58.34866       254.9641 58.34866       
254.9641 0.000000       0.000000 23.17593 10.78887 ?        ?        ? ? 
1 1 1 30  18  18 o 25.20071 7.858991  177.2508       160.5145 223.4055       
246.0751 143.0675       211.7713 26.34600 11.57243 24.05542 10.63644 2.290585 
15.71798 
1 1 1 30  18  19 o 18.80529 6.525041  -197.1187      176.3780 -226.0301      
269.6831 -175.5086      233.1568 19.10128 9.407269 18.50930 9.044772 0.5919781 
13.05008 
1 1 1 30  18  20 o 25.20256 8.206080  161.4351       200.9387 343.1839       
301.1472 15.58181       269.7746 28.29722 12.57591 22.10790 10.54540 6.189320 
16.41216 
1 1 1 30  19  1  o 21.01552 6.824140  4.292909       134.3495 -114.1676      
171.1088 194.7191       216.9446 16.91674 8.147473 25.11430 10.94962 -8.197556 
13.64828 
1 1 1 30  19  2  o 24.05717 7.742329  37.42662       169.6043 403.2596       
281.2433 -171.6525      212.6161 30.29502 12.81394 17.81932 8.693535 12.47570 
15.48466 
1 1 1 30  19  3  o 19.21311 6.467809  -63.88622      142.2693 -116.1439      
228.9313 -31.00598      181.5924 19.31198 9.329753 19.11425 8.960242 0.1977329 
12.93562 
1 1 1 30  19  4  o 23.96965 7.541699  128.2632       153.8759 84.44604       
239.8701 158.9040       200.5875 23.34737 10.70833 24.59192 10.62264 -1.244553 
15.08340 
1 1 1 30  19  5  o 24.02813 7.697813  96.12095       160.0258 196.7463       
270.6512 42.03548       198.4251 26.40299 11.82243 21.65326 9.861821 4.749727 
15.39563 
1 1 1 30  19  6  o 22.61989 7.338967  -1.832041      167.2865 -207.4621      
240.0078 192.4524       233.2926 18.90030 9.223736 26.33949 11.41773 -7.439190 
14.67793 
1 1 1 30  19  7  o 23.97280 7.704482  54.59589       178.3757 207.6369       
239.0341 -137.7247      267.9594 27.02947 11.63481 20.91614 10.10284 6.113329 
15.40896 
1 1 1 30  19  8  o 21.01021 7.133427  -112.4390      180.7782 -82.78687      
233.5269 -156.7811      285.5731 20.71587 9.856823 21.30455 10.31437 
-0.5886765     14.26685 
1 1 1 30  19  9  o 30.75413 8.786289  258.7527       184.4205 46.05968       
238.2700 576.5627       291.2572 23.34383 10.69241 38.16443 13.94517 -14.82060 
17.57258 
1 1 1 30  19  10 o 26.82719 8.369064  180.3960       181.9619 170.3468       
234.1088 195.7315       289.2013 26.24521 11.40814 27.40916 12.24824 -1.163952 
16.73813 
1 1 1 30  19  11 o 25.99524 8.296756  137.9852       179.3065 129.0208       
210.7005 161.5244       341.4304 24.74628 10.79002 27.24421 12.60636 -2.497927 
16.59351 
1 1 1 30  19  12 o 21.13960 6.982686  -35.51619      153.9190 -79.77537      
209.9780 15.88395       226.2842 19.92533 9.417065 22.35387 10.31264 -2.428545 
13.96537 
1 1 1 30  19  13 o 23.08519 7.387935  64.57187       153.4361 66.84863       
212.0867 62.07160       222.2528 23.01021 10.37738 23.16018 10.51838 
-0.1499767     14.77587 
1 1 1 30  19  14 o 18.53361 6.348861  -172.2305      153.0081 -128.2382      
212.6313 -219.4735      220.3473 19.04948 9.152047 18.01774 8.801829 1.031742 
12.69772 
1 1 1 30  19  15 o 28.62285 8.360226  268.6504       163.2996 346.2510       
242.5091 204.2724       220.8838 30.78485 12.34216 26.46086 11.28027 4.323988 
16.72045 
1 1 1 30  19  16 o 29.67247 8.191951  263.5008       161.5110 523.1549       
242.6514 56.95959       216.4156 36.97620 12.80355 22.36874 10.22258 14.60745 
16.38390 
1 1 1 30  19  17 o 24.13735 7.641868  135.7875       159.5020 116.1514       
238.8459 151.5931       214.2871 23.86628 10.85633 24.40842 10.75792 
-0.5421429     15.28374 
1 1 1 30  19  18 o 17.58613 8.619776  -203.4473      215.8519 0.000000       
0.000000 -203.4473      215.8519 ?        ?        17.58613 8.619776 ? ? 
1 1 1 30  19  19 o 36.91567 13.45868  602.2608       271.1579 602.2608       
271.1579 0.000000       0.000000 36.91567 13.45868 ?        ?        ? ? 
1 1 1 30  20  3  o 24.81693 7.393689  172.6083       144.6093 -4.174925      
229.1158 289.6635       186.4360 20.93764 9.875471 28.69621 11.00644 -7.758579 
14.78738 
1 1 1 30  20  4  o 22.82032 7.315145  97.56454       152.1864 77.41228       
225.7647 114.3483       206.0340 22.56996 10.36723 23.07069 10.32308 
-0.5007305     14.63029 
1 1 1 30  20  5  f 29.52241 7.904647  293.9128       164.1279 -20.25623      
262.3018 496.0678       210.4079 21.76636 10.38625 37.27845 11.91887 -15.51209 
15.80929 
1 1 1 30  20  6  o 27.41017 8.427351  210.7527       181.0421 55.48240       
233.5889 444.3343       286.5019 22.62884 10.45406 32.19149 13.22095 -9.562651 
16.85470 
1 1 1 30  20  7  o 24.86608 8.123893  102.7249       189.2267 22.65304       
235.4847 248.6615       317.9103 22.17487 10.34051 27.55728 12.53253 -5.382414 
16.24779 
1 1 1 30  20  8  o 26.74918 8.260952  141.7417       195.6493 432.7033       
271.6898 -171.6705      281.9768 32.85332 13.10515 20.64504 10.06123 12.20828 
16.52190 
1 1 1 30  20  9  o 24.82128 7.972331  112.4574       177.2144 56.69973       
227.5586 198.3866       282.4956 22.89641 10.47153 26.74615 12.02412 -3.849733 
15.94466 
1 1 1 30  20  10 o 28.99380 8.865056  262.6529       182.2646 196.6502       
215.8281 426.7553       340.3180 26.34731 11.18864 31.64030 13.75395 -5.292980 
17.73011 
1 1 1 30  20  11 o 23.71388 7.792463  37.86829       183.4099 -57.16658      
239.6481 172.2367       284.9581 21.11510 10.01754 26.31266 11.93896 -5.197561 
15.58493 
1 1 1 30  20  12 o 26.50352 7.845035  181.8659       153.6897 44.56299       
213.6042 329.2407       221.3002 22.28834 10.17340 30.71871 11.94488 -8.430370 
15.69007 
1 1 1 30  20  13 o 24.05990 7.531722  109.1228       154.1939 206.4392       
216.1357 8.255894       220.0431 26.50050 11.22231 21.61930 10.04824 4.881203 
15.06344 
1 1 1 30  20  14 o 21.28410 7.062416  -21.13303      162.1057 -102.8952      
236.3727 51.46885       222.7384 20.08587 9.649843 22.48233 10.31462 -2.396460 
14.12483 
1 1 1 30  20  15 o 17.38541 6.052526  -242.8018      153.9916 -256.0462      
232.5005 -232.4512      205.5376 17.79547 8.764613 16.97534 8.349483 0.8201313 
12.10505 
1 1 1 30  20  16 o 21.76801 7.143239  28.74234       155.8800 83.51709       
234.8379 -14.39991      208.4151 23.09584 10.59399 20.44018 9.584929 2.655663 
14.28648 
1 1 1 30  20  17 o 29.19032 8.352044  320.5718       162.7745 245.2243       
242.1720 382.6640       219.8407 26.76110 11.61720 31.61955 12.00280 -4.858458 
16.70409 
1 1 1 30  20  18 o 21.61012 7.173233  25.41928       165.0768 12.65386       
251.6959 35.05521       218.6781 21.77918 10.30122 21.44105 9.985290 0.3381310 
14.34647 
1 1 1 30  20  19 o 18.17367 6.335808  -245.7533      171.3212 -99.90907      
253.0041 -369.2575      232.8218 20.03899 9.702833 16.30834 8.150146 3.730656 
12.67162 
1 1 1 30  21  4  o 23.16069 7.376156  119.7676       151.8463 99.19774       
229.0785 135.8890       202.8007 22.90961 10.48960 23.41177 10.37299 
-0.5021591     14.75231 
1 1 1 30  21  5  o 18.28830 6.337889  -176.4812      156.5394 -137.8045      
258.9708 -198.7493      196.5020 19.78438 9.641839 16.79221 8.228627 2.992163 
12.67578 
1 1 1 30  21  6  o 23.87337 7.737024  114.7929       179.5555 206.6170       
237.1475 -8.564479      274.8670 25.70598 11.32515 22.04076 10.54453 3.665213 
15.47405 
1 1 1 30  21  7  f 23.04985 7.660328  55.85655       189.0699 96.86070       
235.8262 -17.92536      316.3392 23.28599 10.65402 22.81371 11.00974 0.4722786 
15.32066 
1 1 1 30  21  8  o 31.03638 9.072783  408.0667       200.8316 484.5685       
260.0018 294.9077       316.2169 34.12119 13.02370 27.95156 12.63506 6.169636 
18.14557 
1 1 1 30  21  9  o 21.03003 7.118474  -67.21734      165.6828 -142.8872      
203.9053 79.82414       284.2413 18.11287 8.759850 23.94719 11.22300 -5.834311 
14.23695 
1 1 1 30  21  10 o 20.93349 7.074080  -50.97679      168.1457 -36.16590      
204.1930 -82.17580      296.3608 19.99619 9.399598 21.87078 10.57440 -1.874588 
14.14816 
1 1 1 30  21  11 o 24.49138 7.869487  129.5729       174.6054 156.6979       
211.8176 72.06367       308.4219 24.69898 10.79351 24.28378 11.45493 0.4151936 
15.73897 
1 1 1 30  21  12 o 21.22298 7.077128  -14.16210      162.6807 -37.33477      
247.0883 3.568653       216.1363 21.29203 10.13477 21.15393 9.880758 0.1381016 
14.15426 
1 1 1 30  21  13 o 19.16478 6.555293  -138.3340      159.9311 -57.58960      
232.1466 -211.2756      220.6449 20.48633 9.774401 17.84322 8.737764 2.643112 
13.11059 
1 1 1 30  21  14 o 22.75212 7.357769  32.60130       163.7066 231.0410       
237.2996 -147.6066      226.1359 26.66138 11.53571 18.84286 9.136437 7.818512 
14.71554 
1 1 1 30  21  15 o 19.33912 6.594601  -109.0704      157.0794 -39.82287      
235.2970 -164.7422      210.9754 20.70276 9.868825 17.97548 8.749932 2.727282 
13.18920 
1 1 1 30  21  16 o 26.05762 7.990613  202.0366       163.2255 338.7842       
245.2407 93.28249       218.7034 29.33337 12.16001 22.78187 10.36984 6.551504 
15.98123 
1 1 1 30  21  17 f 25.46361 7.606259  135.3904       165.8239 -202.6581      
247.8376 409.3848       223.1252 18.65768 9.174226 32.26955 12.13484 -13.61187 
15.21252 
1 1 1 30  21  18 o 22.95191 7.466917  39.53453       168.3736 286.7115       
255.4940 -150.2258      223.8615 27.43374 11.92118 18.47008 8.994716 8.963659 
14.93383 
1 1 1 30  22  6  o 21.04215 7.122657  -28.03064      175.6127 -44.63247      
230.8165 -5.210746      270.6111 20.26119 9.685862 21.82310 10.44572 -1.561909 
14.24531 
1 1 1 30  22  7  o 22.55460 7.529202  39.92412       174.2020 -14.54246      
211.0227 156.4520       308.6591 20.24082 9.526488 24.86839 11.66197 -4.627575 
15.05840 
1 1 1 30  22  8  o 24.11127 7.873941  128.1955       189.4351 187.8484       
236.9064 22.42514       315.4592 25.12513 11.16168 23.09741 11.10913 2.027716 
15.74788 
1 1 1 30  22  9  f 24.02238 7.866962  119.4926       189.8270 172.6290       
236.0322 22.18398       319.4115 24.82252 11.07949 23.22224 11.17144 1.600283 
15.73392 
1 1 1 30  22  10 o 23.92914 7.688322  -26.43751      167.0449 -274.9410      
206.4907 444.1776       284.1628 16.31558 8.078568 31.54270 13.08350 -15.22712 
15.37664 
1 1 1 30  22  11 o 22.75397 7.445032  41.02401       164.0489 -78.31309      
210.3918 226.1027       262.0108 19.23901 9.209220 26.26893 11.70061 -7.029921 
14.89006 
1 1 1 30  22  12 o 27.02794 8.065984  237.9744       161.0295 362.3634       
231.8047 121.9624       223.8631 30.49000 12.12302 23.56589 10.64296 6.924109 
16.13197 
1 1 1 30  22  13 f 19.47511 6.687377  -126.1452      169.3609 -148.7014      
268.4198 -111.2262      218.2994 20.00075 9.759635 18.94947 9.145139 1.051285 
13.37475 
1 1 1 30  22  14 f 21.23025 7.047183  -4.915751      160.8025 109.5587       
235.4908 -104.9216      220.1062 23.38276 10.67666 19.07774 9.201093 4.305027 
14.09437 
1 1 1 30  22  15 o 26.13017 7.967999  227.0155       158.7374 220.1736       
240.3076 232.3120       211.4316 25.93344 11.41334 26.32689 11.12168 
-0.3934422     15.93600 
1 1 1 30  22  16 o 22.10078 7.253007  58.31300       162.3649 3.497623       
248.0875 99.38340       214.7426 21.50076 10.19668 22.70081 10.31757 -1.200048 
14.50601 
1 1 1 30  22  17 o 22.63122 7.390325  53.31426       162.8846 226.9732       
252.8131 -69.93433      212.9816 25.95644 11.53073 19.30600 9.247157 6.650438 
14.78065 
1 1 1 30  23  9  o 26.98644 7.940972  255.4353       172.9787 384.5840       
205.0099 -63.73516      322.2859 31.93326 11.69659 22.03962 10.74364 9.893648 
15.88194 
1 1 1 30  23  10 o 20.89194 7.120143  -51.85300      181.6342 -14.84918      
221.0107 -128.8517      318.8098 20.49554 9.676416 21.28834 10.44762 
-0.7928009     14.24029 
1 1 1 30  23  11 f 24.34088 7.804137  155.8807       173.1319 193.9933       
227.0590 102.9450       267.5955 25.14928 11.08054 23.53247 10.99272 1.616810 
15.60827 
1 1 1 30  23  12 o 25.63748 7.927078  208.7468       161.5522 263.3446       
240.3156 163.7281       218.2181 26.96020 11.63614 24.31476 10.76822 2.645441 
15.85416 
1 1 1 30  23  13 o 21.37702 7.067363  5.722212       161.4533 -133.8754      
229.1917 143.2385       227.4767 18.87813 9.167420 23.87592 10.75867 -4.997787 
14.13473 
1 1 1 30  23  14 o 26.10599 7.701246  178.5721       172.1349 -214.5760      
278.5446 421.4819       218.9472 19.40049 9.554538 32.81148 12.08088 -13.41099 
15.40249 
1 1 1 30  23  15 o 24.18331 7.753077  142.8567       173.1382 46.36803       
247.2948 235.6285       242.4850 22.17195 10.40487 26.19468 11.49693 -4.022724 
15.50615 
1 1 1 31  2   1  o 21.23592 6.579504  -3.736991      122.7372 -207.0296      
163.5020 258.7205       185.7769 15.06559 7.421160 27.40624 10.86673 -12.34066 
13.15901 
1 1 1 31  2   2  o 18.61094 6.091115  -12.30980      113.9255 26.56831       
161.2442 -51.06351      160.9861 19.54540 8.898640 17.67648 8.319911 1.868925 
12.18223 
1 1 1 31  2   3  o 22.54596 6.833628  123.0467       116.1744 91.27415       
165.5010 153.9100       163.1158 21.51936 9.471211 23.57256 9.853428 -2.053198 
13.66726 
1 1 1 31  2   4  o 20.75409 6.442559  51.52798       120.2794 165.5407       
148.2404 -168.1601      205.7752 23.96200 9.631807 17.54619 8.558888 6.415808 
12.88512 
1 1 1 31  2   5  o 20.71664 6.871855  6.607682       151.6975 15.39766       
220.6256 -1.274172      208.9182 21.03263 9.862557 20.40066 9.571808 0.6319637 
13.74371 
1 1 1 31  2   6  o 23.60427 10.82802  121.8253       245.3801 121.8253       
245.3801 0.000000       0.000000 23.60427 10.82802 ?        ?        ? ? 
1 1 1 31  3   0  o 24.73978 7.650574  169.1248       144.8494 118.5337       
180.4207 260.8661       242.9581 22.62029 9.922661 26.85928 11.64757 -4.238991 
15.30115 
1 1 1 31  3   1  o 21.17908 6.629603  60.23772       118.2935 169.2398       
176.7772 -28.15073      159.1867 24.22954 10.19932 18.12862 8.472339 6.100920 
13.25921 
1 1 1 31  3   2  o 36.14273 7.126318  398.7443       118.9340 245.2950       
157.2585 603.8073       181.7923 27.52116 10.21934 44.76431 9.934925 -17.24315 
14.25264 
1 1 1 31  3   3  o 20.90443 6.507750  52.17310       112.2269 -37.27047      
148.5960 170.9319       171.2243 17.47363 8.173779 24.33523 10.12880 -6.861607 
13.01550 
1 1 1 31  3   4  o 28.06553 7.829329  259.7426       152.1568 64.55566       
222.7233 430.5639       208.3586 22.17698 10.23109 33.95408 11.85405 -11.77710 
15.65866 
1 1 1 31  3   5  o 23.66525 7.474197  125.6524       152.1776 214.7084       
225.0956 50.68463       206.5249 25.81620 11.20347 21.51430 9.896305 4.301897 
14.94839 
1 1 1 31  3   6  o 23.92037 7.591438  141.0721       156.8102 167.1613       
243.6371 122.6215       204.8887 24.66529 11.12322 23.17544 10.33410 1.489845 
15.18288 
1 1 1 31  3   7  o 22.74078 7.129176  57.62799       148.3574 272.2537       
208.0783 -164.2901      211.5837 27.62625 11.29331 17.85532 8.704129 9.770931 
14.25835 
1 1 1 31  3   8  o 17.76553 6.101594  -124.8438      136.5023 -218.4594      
244.2616 -82.33129      164.6038 18.31590 9.021503 17.21516 8.217680 1.100742 
12.20319 
1 1 1 31  3   9  o 20.52261 9.819824  -41.41396      238.6286 -41.41396      
238.6286 0.000000       0.000000 20.52261 9.819824 ?        ?        ? ? 
1 1 1 31  4   0  o 18.76325 6.355124  -89.77514      145.0723 -7.169670      
182.3630 -232.1559      239.4186 19.50093 9.095982 18.02557 8.877700 1.475357 
12.71025 
1 1 1 31  4   1  f 20.04102 6.547999  12.86737       128.9803 -0.4794752     
173.8665 29.20123       192.3407 19.40609 8.985805 20.67595 9.526831 -1.269865 
13.09600 
1 1 1 31  4   2  o 21.76989 6.728996  94.68719       116.9377 109.0147       
162.8257 79.42600       168.0475 22.16999 9.573498 21.36979 9.458632 0.8002052 
13.45799 
1 1 1 31  4   3  o 20.59124 6.516266  48.12432       117.7383 109.6468       
164.5545 -16.40747      168.5310 22.26928 9.620377 18.91321 8.791771 3.356070 
13.03253 
1 1 1 31  4   4  o 18.48939 6.251297  -75.75574      129.8598 -61.64442      
217.0924 -83.61839      162.0486 19.78219 9.441705 17.19658 8.195673 2.585606 
12.50259 
1 1 1 31  4   5  o 24.99519 7.697908  165.4112       152.0573 272.2273       
227.3836 79.00187       204.5131 27.72128 11.61346 22.26910 10.10735 5.452185 
15.39582 
1 1 1 31  4   6  o 22.84624 7.358256  89.44487       157.3182 28.79466       
243.6803 132.7885       205.9997 22.05246 10.34514 23.64002 10.46679 -1.587557 
14.71651 
1 1 1 31  4   7  o 22.96313 7.195756  89.75942       143.0343 -38.78247      
198.0581 229.8801       206.7862 19.49653 9.191656 26.42974 11.07380 -6.933210 
14.39151 
1 1 1 31  4   8  o 23.54701 7.538829  121.9985       159.4373 132.8941       
248.4830 114.3735       207.8702 24.03901 10.97253 23.05502 10.34115 0.9839897 
15.07766 
1 1 1 31  4   9  o 20.39359 6.728290  11.08148       135.3307 34.76145       
230.2921 -1.409415      167.2573 21.68417 10.15158 19.10301 8.833174 2.581160 
13.45658 
1 1 1 31  4   10 o 17.33156 8.537943  -238.8828      223.3345 -238.8828      
223.3345 0.000000       0.000000 17.33156 8.537943 ?        ?        ? ? 
1 1 1 31  5   0  o 18.24826 6.192170  -107.4177      139.8410 -14.83828      
175.3658 -269.0975      231.7478 19.12849 8.921297 17.36804 8.589664 1.760454 
12.38434 
1 1 1 31  5   1  o 19.29641 6.312171  -24.20908      126.0692 79.73058       
167.0807 -161.6145      192.1045 21.38484 9.452665 17.20799 8.367861 4.176849 
12.62434 
1 1 1 31  5   2  o 16.56339 5.697397  -163.7465      124.6991 -170.9700      
164.3404 -153.9433      191.4498 15.78835 7.691958 17.33842 8.406848 -1.550061 
11.39479 
1 1 1 31  5   3  o 21.54962 6.822587  20.70741       126.9524 -101.2290      
162.2976 212.9332       203.7752 16.93911 8.103538 26.16013 10.97832 -9.221020 
13.64517 
1 1 1 31  5   4  o 29.56463 7.201375  232.1904       126.9766 500.0076       
191.7573 23.06238       169.4489 39.07865 11.14174 20.05061 9.126930 19.02804 
14.40275 
1 1 1 31  5   5  o 24.67953 7.566025  149.1424       137.5261 240.8512       
237.9140 103.1211       168.5365 27.02813 11.62028 22.33093 9.692675 4.697203 
15.13205 
1 1 1 31  5   6  o 22.16636 7.205521  50.95653       155.7895 -11.91766      
240.8766 96.16916       204.2623 21.47544 10.12815 22.85728 10.25177 -1.381836 
14.41104 
1 1 1 31  5   7  o 20.95766 6.825589  -13.45391      144.7886 -178.3781      
204.3026 152.9620       205.2244 17.56923 8.562583 24.34609 10.63188 -6.776859 
13.65118 
1 1 1 31  5   8  o 21.90143 7.222974  17.98687       159.2804 139.2601       
248.7299 -66.31561      207.3794 24.40042 11.09379 19.40244 9.252747 4.997974 
14.44595 
1 1 1 31  5   9  o 18.68158 6.367265  -136.9474      150.8567 -10.60373      
218.3565 -252.3200      208.6608 20.66876 9.717025 16.69440 8.230897 3.974361 
12.73453 
1 1 1 31  5   10 o 34.17120 8.718195  460.7575       161.2699 426.7120       
232.6269 492.2602       223.7710 32.60568 12.35576 35.73673 12.30296 -3.131050 
17.43639 
1 1 1 31  5   11 o 21.74806 6.938395  66.52461       135.5632 -16.51855      
185.7035 161.2650       198.3516 19.39001 9.084414 24.10612 10.48993 -4.716103 
13.87679 
1 1 1 31  5   12 o 18.85804 9.130820  -121.3387      224.0067 -121.3387      
224.0067 0.000000       0.000000 18.85804 9.130820 ?        ?        ? ? 
1 1 1 31  6   0  o 19.30824 6.412694  -20.45556      121.9436 -30.20889      
145.0353 3.069879       225.2507 17.53063 8.151720 21.08585 9.901517 -3.555218 
12.82539 
1 1 1 31  6   1  o 17.08299 5.831810  -127.3241      123.7086 -126.6058      
161.3541 -128.3484      192.6871 16.37582 7.893047 17.79015 8.587192 -1.414326 
11.66362 
1 1 1 31  6   2  o 18.05010 6.054730  -99.08299      114.8997 -184.7423      
142.5608 59.71047       194.1017 14.38602 7.039800 21.71417 9.852931 -7.328154 
12.10946 
1 1 1 31  6   3  o 23.41671 7.254123  53.02890       146.4286 294.2979       
217.5599 -146.7754      197.9842 28.98619 11.66137 17.84723 8.631434 11.13897 
14.50825 
1 1 1 31  6   4  f 18.19123 6.238095  -193.4907      149.5764 -32.03227      
218.3091 -336.3506      205.3510 20.60693 9.696107 15.77553 7.851167 4.831394 
12.47619 
1 1 1 31  6   5  f 20.55199 6.817829  -41.15573      154.1308 -204.8426      
243.7310 67.92570       198.9662 18.88505 9.232854 22.21894 10.03422 -3.333885 
13.63566 
1 1 1 31  6   6  o 22.71911 7.277677  66.47350       153.9054 -53.10442      
237.4475 153.1067       202.1084 20.85418 9.930505 24.58404 10.64159 -3.729855 
14.55535 
1 1 1 31  6   7  o 26.52611 8.029696  214.4639       157.7800 241.0765       
244.2885 195.4167       206.6691 27.21356 11.73854 25.83865 10.95950 1.374905 
16.05939 
1 1 1 31  6   8  o 28.36014 8.158908  277.9574       155.7419 215.1199       
236.5762 326.0187       206.8995 26.40070 11.47180 30.31958 11.60470 -3.918888 
16.31782 
1 1 1 31  6   9  o 21.54023 7.043761  25.19930       152.6527 -68.43167      
229.2597 99.77489       204.6050 20.16783 9.644082 22.91263 10.26888 -2.744801 
14.08752 
1 1 1 31  6   10 o 18.73989 6.397079  -120.2372      148.5697 -53.91056      
224.1335 -172.2214      198.4260 20.13483 9.606107 17.34495 8.450633 2.789888 
12.79416 
1 1 1 31  6   11 o 21.24566 6.956207  20.48135       144.8990 130.3989       
224.2213 -58.33829      189.8718 23.69361 10.67869 18.79770 8.917446 4.895903 
13.91241 
1 1 1 31  6   12 o 36.07761 8.535164  497.9308       154.3278 461.3816       
240.8530 523.3889       201.0144 33.39902 12.59698 38.75620 11.52008 -5.357182 
17.07033 
1 1 1 31  6   13 o 22.95065 10.48097  102.9306       227.0353 102.9306       
227.0353 0.000000       0.000000 22.95065 10.48097 ?        ?        ? ? 
1 1 1 31  7   0  o 28.40275 11.87368  299.9083       236.8976 0.000000       
0.000000 299.9083       236.8976 ?        ?        28.40275 11.87368 ? ? 
1 1 1 31  7   1  o 20.32121 6.697719  0.3821703      133.0564 -6.524793      
162.8905 14.23160       230.6578 19.01690 8.764215 21.62553 10.13046 -2.608639 
13.39544 
1 1 1 31  7   2  o 20.01470 6.515890  -10.66950      124.0780 -78.31647      
159.7320 92.25082       197.0237 17.32971 8.201210 22.69969 10.12756 -5.369982 
13.03178 
1 1 1 31  7   3  o 21.40505 6.971389  24.22408       145.3731 21.09668       
212.9890 26.95168       198.9095 21.54593 9.964721 21.26417 9.752199 0.2817535 
13.94278 
1 1 1 31  7   4  o 24.75581 7.646071  125.4089       150.9280 270.6365       
232.9782 20.38605       198.1219 28.35363 11.80902 21.15800 9.715798 7.195627 
15.29214 
1 1 1 31  7   5  o 21.17268 6.943340  -18.52277      154.2891 -190.7364      
241.1510 100.8287       200.7563 19.08272 9.300661 23.26264 10.31201 -4.179926 
13.88668 
1 1 1 31  7   6  o 24.51207 7.471799  109.0873       155.0935 -120.4162      
236.4296 282.4419       205.4825 19.90323 9.583714 29.12090 11.46576 -9.217665 
14.94360 
1 1 1 31  7   7  o 28.36746 8.181273  267.6517       156.4327 212.7104       
240.9489 307.6836       205.6736 26.71383 11.59212 30.02110 11.54798 -3.307270 
16.36255 
1 1 1 31  7   8  o 38.10739 8.028931  505.5640       156.3365 281.0557       
231.2857 694.4404       212.1394 28.62455 11.83406 47.59023 10.85402 -18.96567 
16.05786 
1 1 1 31  7   9  o 29.46701 8.150851  279.4593       156.4151 462.9438       
228.4892 117.6419       214.5747 35.19405 12.40115 23.73998 10.58097 11.45407 
16.30170 
1 1 1 31  7   10 f 22.77141 7.273919  80.54044       146.8254 146.1632       
227.7745 33.88767       192.0510 24.48889 10.90853 21.05393 9.625148 3.434956 
14.54784 
1 1 1 31  7   11 o 21.36230 6.698267  60.49330       128.1204 -126.6704      
222.6661 153.1280       156.6499 18.95328 9.164160 23.77131 9.771660 -4.818026 
13.39653 
1 1 1 31  7   12 o 21.16710 6.779087  49.47475       132.8091 122.3603       
182.7396 -32.12047      193.3501 22.90934 10.01826 19.42485 9.135566 3.484491 
13.55817 
1 1 1 31  7   13 o 21.28743 6.862271  60.57983       130.9247 57.45863       
227.1501 62.13258       160.2149 22.04985 10.23328 20.52501 9.145659 1.524837 
13.72454 
1 1 1 31  8   0  o 20.85956 6.824942  25.45615       133.9890 15.12564       
162.9522 47.02085       235.4350 19.48300 8.890429 22.23612 10.35759 -2.753122 
13.64988 
1 1 1 31  8   1  f 26.75103 7.745560  226.2383       135.2661 229.7486       
162.4618 218.3060       244.2194 27.10448 10.30962 26.39758 11.56229 0.7068939 
15.49112 
1 1 1 31  8   2  o 21.27002 9.424366  65.91713       167.4227 65.91713       
167.4227 0.000000       0.000000 21.27002 9.424366 ?        ?        ? ? 
1 1 1 31  8   3  o 23.99225 7.430489  123.8213       146.3226 43.74760       
220.4075 186.9224       195.6589 22.29412 10.24177 25.69038 10.76823 -3.396263 
14.86098 
1 1 1 31  8   4  o 25.39283 7.774443  148.4098       152.0481 275.5737       
234.9355 56.75714       199.4523 28.65130 11.89103 22.13436 10.01855 6.516939 
15.54889 
1 1 1 31  8   5  o 31.14859 8.498281  320.2374       156.9688 469.3343       
247.2167 219.5263       203.1806 35.26534 12.85141 27.03185 11.12315 8.233488 
16.99656 
1 1 1 31  8   6  o 19.59361 6.636804  -104.4341      153.7709 -121.4506      
235.9574 -91.87215      202.7339 19.97882 9.608858 19.20838 9.157430 0.7704411 
13.27361 
1 1 1 31  8   7  f 25.40062 7.755365  139.3325       152.8730 289.4293       
234.0672 27.68119       201.8771 29.21064 11.96554 21.59060 9.869583 7.620045 
15.51073 
1 1 1 31  8   8  o 21.21983 6.952175  -0.4060925     148.5774 -73.32280      
218.7405 62.05096       202.4447 20.08102 9.547595 22.35864 10.10813 -2.277622 
13.90435 
1 1 1 31  8   9  o 23.89307 7.469440  108.1633       148.2683 201.0343       
221.8389 33.18335       199.3289 26.28454 11.25794 21.50161 9.819818 4.782930 
14.93888 
1 1 1 31  8   10 o 24.09662 7.507334  132.6519       146.7222 135.8317       
228.6741 130.4268       191.2882 24.44642 10.90870 23.74683 10.31701 0.6995926 
15.01467 
1 1 1 31  8   11 o 20.13898 6.650036  -46.64973      146.1165 -228.1025      
220.6230 95.12849       195.0176 17.61761 8.660579 22.66036 10.09387 -5.042753 
13.30007 
1 1 1 31  8   12 o 26.54493 7.933043  219.8523       150.0653 310.3495       
233.7732 156.4244       195.7119 28.86308 11.91299 24.22678 10.47919 4.636299 
15.86609 
1 1 1 31  8   13 o 22.88808 7.291892  105.8367       146.0977 89.73434       
191.6325 128.1859       225.7646 22.13003 9.927580 23.64613 10.68316 -1.516098 
14.58378 
1 1 1 31  8   14 o 22.68090 7.405951  83.24630       165.5332 72.63768       
232.7143 94.11128       235.5095 22.44163 10.39310 22.92018 10.55348 
-0.4785519     14.81190 
1 1 1 31  9   0  o 21.14668 6.685698  41.49820       133.4608 159.6033       
160.9636 -218.2929      238.7292 24.00726 9.893136 18.28610 8.995560 5.721155 
13.37140 
1 1 1 31  9   1  f 18.31463 6.124116  -93.62597      132.3062 35.33869       
159.6810 -376.0589      236.3064 20.01673 9.017144 16.61253 8.289167 3.404200 
12.24823 
1 1 1 31  9   2  o 21.71614 6.914288  60.63830       132.9416 111.1350       
160.3047 -50.58260      237.9075 22.54362 9.610019 20.88867 9.943694 1.654953 
13.82858 
1 1 1 31  9   3  o 35.03562 11.84343  426.2042       207.1672 0.000000       
0.000000 426.2042       207.1672 ?        ?        35.03562 11.84343 ? ? 
1 1 1 31  9   4  o 24.09421 7.536710  84.21124       150.3853 260.7097       
236.1636 -36.17290      195.0415 28.25823 11.83686 19.93018 9.332568 8.328053 
15.07342 
1 1 1 31  9   5  o 21.79917 7.062247  1.128305       153.9575 -178.1044      
236.5659 132.8166       202.7763 19.21351 9.325094 24.38483 10.60867 -5.171322 
14.12449 
1 1 1 31  9   6  o 26.88998 7.467529  142.6508       155.7292 -221.3772      
238.0273 415.0827       205.9151 18.71915 9.145323 35.06081 11.80758 -16.34167 
14.93506 
1 1 1 31  9   7  o 22.58658 7.216020  59.66909       145.3984 82.60854       
214.0170 40.00548       198.1474 23.31592 10.47470 21.85724 9.927962 1.458681 
14.43204 
1 1 1 31  9   8  o 22.21412 7.052822  -34.31235      149.7650 240.2931       
217.3224 -282.6753      206.6776 27.81418 11.48348 16.61406 8.191384 11.20012 
14.10564 
1 1 1 31  9   9  f 18.54042 6.210079  -186.2122      144.2542 -556.1850      
224.2641 74.89752       188.4024 14.73413 7.448779 22.34672 9.938612 -7.612586 
12.42016 
1 1 1 31  9   10 o 24.05239 7.455491  128.8405       144.6570 94.98437       
219.9490 154.6478       192.0326 23.46292 10.57550 24.64186 10.51172 -1.178938 
14.91098 
1 1 1 31  9   11 o 31.36204 8.323781  323.5565       150.6431 514.8621       
237.9530 195.5995       194.6075 36.89640 12.68832 25.82767 10.77719 11.06873 
16.64756 
1 1 1 31  9   12 o 17.96658 6.118310  -104.8214      127.8192 -109.0315      
223.0756 -102.7635      155.9598 19.33339 9.309274 16.59976 7.941807 2.733622 
12.23662 
1 1 1 31  9   13 o 24.51530 7.765920  152.5571       165.5075 106.8789       
231.4282 200.3764       236.7899 23.38105 10.64918 25.64956 11.30632 -2.268501 
15.53184 
1 1 1 31  9   14 o 24.62251 7.443511  156.0984       146.5318 -2.248242      
214.1620 295.4762       200.9253 20.59885 9.669557 28.64617 11.31915 -8.047312 
14.88702 
1 1 1 31  9   15 o 27.25245 8.540428  279.1434       190.3499 337.2531       
307.2794 242.9589       242.4773 28.11466 12.59274 26.39023 11.54030 1.724430 
17.08086 
1 1 1 31  10  0  o 24.39248 7.486236  143.1307       132.6759 87.18295       
160.0922 265.8280       237.0809 21.42748 9.373532 27.35748 11.67526 -5.929998 
14.97247 
1 1 1 31  10  1  o 21.28165 6.853522  49.14177       132.6096 77.86152       
160.7505 -12.03576      234.6162 21.29959 9.354586 21.26371 10.01872 
0.3588104E-01  13.70704 
1 1 1 31  10  2  o 24.77136 7.194309  169.8051       125.2175 222.0638       
150.1129 50.26411       227.0370 27.09544 9.999784 22.44729 10.34585 4.648148 
14.38862 
1 1 1 31  10  3  o 24.11147 7.493114  98.17742       148.9953 259.6055       
225.2117 -27.47297      198.6934 28.07971 11.64737 20.14324 9.430047 7.936478 
14.98623 
1 1 1 31  10  4  o 26.25727 7.748374  187.4787       150.3051 61.13468       
225.1821 289.0004       201.8534 22.95801 10.46937 29.55653 11.42547 -6.598522 
15.49675 
1 1 1 31  10  5  o 21.65538 10.13818  -13.00244      229.7012 -13.00244      
229.7012 0.000000       0.000000 21.65538 10.13818 ?        ?        ? ? 
1 1 1 31  10  6  o 26.89026 7.875327  186.9458       155.1137 33.25119       
221.1193 335.8549       217.6497 22.41812 10.28177 31.36241 11.93182 -8.944292 
15.75065 
1 1 1 31  10  7  o 31.49231 7.823971  298.7578       151.2954 53.43227       
218.7028 523.9156       209.5204 22.81273 10.38013 40.17188 11.70944 -17.35915 
15.64794 
1 1 1 31  10  8  o 23.05909 7.291909  69.45400       149.6630 -37.68665      
227.5697 151.1120       198.6720 21.17036 9.943259 24.94783 10.66861 -3.777468 
14.58382 
1 1 1 31  10  9  o 17.30075 5.896214  -144.1815      127.0009 -144.6412      
174.1565 -143.6594      185.6023 17.01149 8.199622 17.59001 8.475112 
-0.5785255     11.79243 
1 1 1 31  10  10 o 19.31930 6.508467  -93.37826      143.8605 -47.68296      
222.8596 -126.0219      188.3626 20.67873 9.749352 17.95987 8.625004 2.718859 
13.01693 
1 1 1 31  10  11 o 25.80441 7.827324  176.4568       151.5937 269.9770       
230.4528 105.1222       201.2700 28.30454 11.76393 23.30428 10.32850 5.000265 
15.65465 
1 1 1 31  10  12 o 21.21574 6.873642  33.07362       138.8823 64.98333       
180.3163 -13.46342      217.7574 21.55909 9.651743 20.87239 9.789365 0.6867008 
13.74728 
1 1 1 31  10  13 f 26.69953 7.889043  172.6966       164.4434 -71.97887      
227.3835 440.9849       238.1028 20.00718 9.576191 33.39188 12.53972 -13.38470 
15.77809 
1 1 1 31  10  14 o 25.21901 8.127383  177.3597       188.1859 210.2780       
293.9591 154.5007       244.9612 25.94195 11.87992 24.49606 11.09437 1.445892 
16.25477 
1 1 1 31  10  15 o 20.82275 7.024695  -29.04231      170.5395 -16.32548      
236.0944 -42.91689      246.6074 20.89668 9.927670 20.74882 9.941164 0.1478615 
14.04939 
1 1 1 31  11  0  o 22.93775 7.104386  122.4833       131.0188 159.7703       
158.2728 41.30119       233.5378 23.90361 9.823442 21.97189 10.26592 1.931728 
14.20877 
1 1 1 31  11  1  o 21.12878 6.534381  13.79878       133.2659 203.3642       
161.9074 -384.4208      234.6652 25.84755 10.17744 16.41000 8.198302 9.437550 
13.06876 
1 1 1 31  11  2  o 27.90027 8.218239  256.1911       162.2738 161.4067       
225.3504 358.2743       233.8661 24.94415 11.00812 30.85639 12.20570 -5.912235 
16.43648 
1 1 1 31  11  3  o 24.21118 7.610998  121.1795       153.6331 192.2633       
234.2651 67.53629       203.5071 26.04607 11.36688 22.37628 10.12438 3.669794 
15.22200 
1 1 1 31  11  4  o 23.25555 7.292130  74.14423       150.6116 -95.71748      
228.7804 204.0686       200.0859 20.07034 9.606215 26.44076 10.97366 -6.370415 
14.58426 
1 1 1 31  11  5  o 19.19766 6.563335  -154.8719      157.9452 -88.81149      
239.2127 -205.9311      210.3055 20.63240 9.862635 17.76292 8.662443 2.869488 
13.12667 
1 1 1 31  11  6  o 23.78595 10.63099  96.43851       217.9560 0.000000       
0.000000 96.43851       217.9560 ?        ?        23.78595 10.63099 ? ? 
1 1 1 31  11  7  o 23.58474 7.626874  60.87590       166.3766 105.7395       
268.2961 32.84360       212.0785 24.99533 11.40632 22.17416 10.12781 2.821175 
15.25375 
1 1 1 31  11  8  o 28.24918 8.029800  226.1797       150.4336 377.1822       
224.2718 102.6697       202.8308 32.84277 12.20230 23.65558 10.44100 9.187189 
16.05960 
1 1 1 31  11  9  o 25.49754 7.670477  167.6682       142.8767 168.8832       
220.1675 166.7843       187.7894 25.70563 11.11669 25.28944 10.57185 0.4161911 
15.34095 
1 1 1 31  11  10 o 26.41780 7.691538  192.5016       146.7924 55.94059       
224.2184 294.9395       194.1951 22.84486 10.42562 29.99075 11.31130 -7.145889 
15.38308 
1 1 1 31  11  11 o 26.18088 7.568940  170.8176       150.4360 -58.22996      
229.4171 343.5961       199.2544 20.64409 9.797534 31.71768 11.53966 -11.07359 
15.13788 
1 1 1 31  11  12 o 24.88946 7.727451  135.5990       160.0650 4.101188       
222.6247 276.3235       230.3027 21.42201 10.01452 28.35691 11.77130 -6.934896 
15.45490 
1 1 1 31  11  13 o 24.71110 7.676179  160.0684       155.2145 71.27869       
267.2528 205.2611       190.6666 23.47160 10.97259 25.95060 10.73765 -2.478998 
15.35236 
1 1 1 31  11  14 o 24.71261 8.015757  104.9361       186.3722 341.9831       
292.4745 -57.12365      241.8291 28.84584 12.64375 20.57938 9.856223 8.266464 
16.03151 
1 1 1 31  11  15 o 23.64787 7.452144  119.7623       163.8423 -148.3541      
294.7681 239.6310       197.0932 20.61913 10.09764 26.67660 10.96245 -6.057468 
14.90429 
1 1 1 31  11  16 o 20.73930 7.132603  -100.7218      192.8090 -7.355127      
298.7701 -167.3575      252.4031 22.31043 10.75029 19.16817 9.376957 3.142252 
14.26521 
1 1 1 31  12  0  o 24.36238 7.114008  166.1197       131.3486 259.4092       
159.2617 -32.29068      232.2615 28.15430 10.30957 20.57047 9.805571 7.583836 
14.22802 
1 1 1 31  12  1  o 25.70014 7.668482  201.2239       137.5868 191.1624       
168.7456 221.1786       237.6418 25.22053 10.21888 26.17975 11.43665 
-0.9592228     15.33696 
1 1 1 31  12  2  o 22.53617 7.234024  33.31565       153.6157 227.3166       
227.1011 -130.3177      208.5707 26.61179 11.39415 18.46056 8.916151 8.151236 
14.46805 
1 1 1 31  12  3  o 31.03784 8.365473  344.2535       150.7247 347.5221       
232.2859 341.8765       198.0889 30.66842 12.15395 31.40726 11.49809 
-0.7388382     16.73095 
1 1 1 31  12  4  o 26.05522 7.854765  183.5160       149.9084 270.4184       
230.7214 120.0270       197.2067 28.40784 11.78657 23.70259 10.38586 4.705252 
15.70953 
1 1 1 31  12  5  o 21.45010 6.999191  -38.55248      160.2627 -315.3116      
252.8709 147.2395       207.1864 18.12480 8.966028 24.77540 10.75012 -6.650597 
13.99838 
1 1 1 31  12  6  o 19.67432 6.707693  -140.2344      165.3223 -234.7095      
264.0414 -79.31525      212.0265 19.50769 9.554173 19.84095 9.417555 
-0.3332558     13.41539 
1 1 1 31  12  7  o 21.63325 7.213357  -33.26859      167.9643 -36.67899      
266.7408 -31.02784      216.2132 22.34782 10.58642 20.91869 9.800914 1.429131 
14.42671 
1 1 1 31  12  8  o 19.77250 9.705790  -248.9527      275.3953 -248.9527      
275.3953 0.000000       0.000000 19.77250 9.705790 ?        ?        ? ? 
1 1 1 31  12  9  o 21.39177 7.251679  -112.1377      174.7755 -221.9479      
218.2247 84.30184       291.8751 17.90508 8.749706 24.87847 11.56676 -6.973389 
14.50336 
1 1 1 31  12  10 o 30.46523 7.418034  257.8103       147.5895 -63.90986      
219.2723 524.2947       199.5632 20.32645 9.614450 40.60401 11.29917 -20.27756 
14.83607 
1 1 1 31  12  11 o 23.53831 7.323347  54.50984       149.1609 272.3676       
219.9819 -130.8976      202.9383 28.60040 11.63842 18.47622 8.892282 10.12419 
14.64669 
1 1 1 31  12  12 o 22.55074 7.462169  16.20026       174.9950 107.1129       
263.8791 -55.16898      233.8021 24.37713 11.20191 20.72435 9.861699 3.652786 
14.92434 
1 1 1 31  12  13 o 21.94971 7.152270  34.38795       158.2159 -168.8066      
283.0919 126.6857       190.7950 20.41839 9.975039 23.48104 10.25273 -3.062649 
14.30454 
1 1 1 31  12  14 o 22.84930 7.652038  -39.66573      187.4703 289.0462       
305.1463 -238.9547      237.5976 27.67359 12.46584 18.02501 8.877931 9.648586 
15.30408 
1 1 1 31  12  15 o 20.10153 6.848711  -84.86613      170.4143 -146.0503      
237.0486 -19.42278      245.1605 19.05759 9.276100 21.14546 10.07836 -2.087872 
13.69742 
1 1 1 31  12  16 o 19.97856 6.897554  -146.2638      191.4182 -281.0313      
297.0977 -50.61447      250.2924 19.25598 9.563907 20.70114 9.941666 -1.445164 
13.79511 
1 1 1 31  13  0  o 20.79872 6.876619  19.43500       137.4666 9.891450       
161.4040 44.64334       262.3200 19.13609 8.779810 22.46135 10.58615 -3.325258 
13.75324 
1 1 1 31  13  1  o 21.61849 6.975466  61.49493       141.1582 92.67660       
178.7982 9.904349       229.9846 21.95536 9.732223 21.28162 9.995617 0.6737423 
13.95093 
1 1 1 31  13  2  o 20.94377 6.912497  7.990391       150.2770 -3.554832      
219.7403 18.13441       205.9746 20.91437 9.813513 20.97317 9.737833 
-0.5879974E-01 13.82499 
1 1 1 31  13  3  o 24.07243 7.334616  115.2536       147.0732 -79.78384      
220.1153 272.5515       197.6755 19.74229 9.442795 28.40257 11.22586 -8.660276 
14.66923 
1 1 1 31  13  4  f 27.29922 8.039864  240.3853       156.7252 159.9730       
256.7062 288.1690       197.8858 25.36709 11.42988 29.23135 11.30997 -3.864258 
16.07973 
1 1 1 31  13  5  o 23.37740 7.571568  74.81369       165.9131 71.98071       
259.5984 76.76993       215.7204 23.78639 11.00100 22.96841 10.40638 0.8179798 
15.14314 
1 1 1 31  13  6  o 24.23905 7.820409  77.72108       171.0960 220.8959       
278.1040 -9.473727      217.0297 27.24547 12.09975 21.23263 9.911165 6.012840 
15.64082 
1 1 1 31  13  7  o 25.40716 7.827994  136.1446       170.3929 -84.28326      
269.6067 282.7485       219.8721 21.61592 10.36572 29.19840 11.73294 -7.582478 
15.65599 
1 1 1 31  13  8  o 24.63684 8.011733  91.32855       192.7862 144.9543       
257.7098 23.18390       290.5094 25.50165 11.47346 23.77204 11.18531 1.729610 
16.02347 
1 1 1 31  13  9  o 19.63409 9.682533  -296.2345      289.1813 0.000000       
0.000000 -296.2345      289.1813 ?        ?        19.63409 9.682533 ? ? 
1 1 1 31  13  10 o 27.06726 8.453510  215.0815       189.4394 245.4627       
250.4657 174.4680       289.5880 27.79078 11.93464 26.34374 11.97546 1.447041 
16.90702 
1 1 1 31  13  11 o 19.84103 6.685101  -90.66805      154.6297 -13.13594      
221.8589 -163.9095      215.6327 21.21875 9.939094 18.46331 8.942970 2.755445 
13.37020 
1 1 1 31  13  12 o 20.69438 6.995011  -78.00593      173.2480 -131.0160      
263.2303 -37.49466      230.1147 20.47543 9.911167 20.91333 9.873675 
-0.4378967     13.99002 
1 1 1 31  13  13 o 31.81040 8.498626  378.6021       185.7563 67.22836       
290.6267 593.6623       241.5320 23.84823 11.21136 39.77256 12.77544 -15.92433 
16.99725 
1 1 1 31  13  14 o 22.55138 7.364590  60.69955       164.7267 117.6886       
230.6564 1.377030       235.3313 23.67558 10.74194 21.42718 10.07767 2.248400 
14.72918 
1 1 1 31  13  15 o 23.66059 7.762200  86.76347       192.4438 -89.44521      
294.1068 218.6937       254.4858 21.34061 10.37001 25.98057 11.55292 -4.639959 
15.52440 
1 1 1 31  13  16 o 23.29322 7.656990  88.66855       183.6664 -19.24386      
270.1912 181.3665       250.4210 21.63902 10.37683 24.94743 11.26229 -3.308409 
15.31398 
1 1 1 31  14  0  o 17.92925 6.113664  -122.0521      139.9164 -20.62835      
170.8134 -328.8652      243.9165 18.73592 8.763978 17.12258 8.526444 1.613333 
12.22733 
1 1 1 31  14  1  o 20.22722 6.756862  -6.596785      139.1160 0.7918922      
163.4334 -26.03280      265.0703 19.00069 8.765133 21.45375 10.28558 -2.453060 
13.51372 
1 1 1 31  14  2  o 24.90385 7.665776  150.1682       154.8609 321.3382       
229.6364 7.391227       209.7279 29.07800 11.87154 20.72971 9.701707 8.348284 
15.33155 
1 1 1 31  14  3  o 25.37430 7.663197  187.5887       149.8559 89.52455       
234.8231 254.9651       194.6434 23.16564 10.61246 27.58296 11.05776 -4.417320 
15.32639 
1 1 1 31  14  4  o 23.97983 7.434505  105.6547       161.2613 -180.7756      
270.7697 263.0952       200.7469 19.93805 9.743902 28.02161 11.23138 -8.083563 
14.86901 
1 1 1 31  14  5  o 21.68734 7.295434  -40.66319      174.9061 62.48357       
282.9280 -104.4668      222.5209 23.83315 11.17449 19.54152 9.382124 4.291634 
14.59087 
1 1 1 31  14  6  o 22.74774 7.387657  47.77589       164.8232 -78.87444      
261.5313 131.2225       212.2878 21.25816 10.19782 24.23732 10.69179 -2.979168 
14.77531 
1 1 1 31  14  7  o 24.62802 7.831039  115.7712       167.6632 207.4723       
259.0393 49.65744       219.9502 26.75235 11.80469 22.50370 10.29320 4.248650 
15.66208 
1 1 1 31  14  8  o 24.51338 7.975717  43.93933       189.5114 -140.1282      
249.3206 295.8122       291.6488 20.08713 9.709761 28.93963 12.65578 -8.852495 
15.95143 
1 1 1 31  14  9  o 22.15457 7.384047  -50.05215      187.3291 122.7453       
246.6404 -285.6393      287.9859 24.68752 11.15924 19.62163 9.673058 5.065891 
14.76809 
1 1 1 31  14  10 o 24.58933 7.955915  90.57063       192.9216 226.5895       
253.1381 -97.90363      297.9778 27.17669 11.83850 22.00196 10.63185 5.174732 
15.91183 
1 1 1 31  14  11 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 31  14  12 o 22.53263 7.557950  -3.154868      192.4435 24.57603       
256.7571 -38.70387      290.7061 22.64009 10.62050 22.42517 10.75618 0.2149200 
15.11590 
1 1 1 31  14  13 o 24.28572 7.857431  118.1891       182.4871 18.43005       
288.2867 184.8882       235.7265 23.02612 10.95399 25.54532 11.26797 -2.519196 
15.71486 
1 1 1 31  14  14 o 24.95330 8.026705  160.3454       182.9577 164.9215       
288.6300 157.2717       236.5539 25.26036 11.65102 24.64624 11.04381 0.6141148 
16.05341 
1 1 1 31  14  15 o 20.77767 7.088109  -72.59093      184.4495 -95.12134      
281.5805 -55.65723      244.1148 20.97476 10.17796 20.58057 9.867843 0.3941956 
14.17622 
1 1 1 31  14  16 o 20.14450 6.886249  -111.9331      182.0832 -262.4615      
271.5684 11.00446       245.4213 18.71760 9.267094 21.57141 10.18836 -2.853809 
13.77250 
1 1 1 31  15  1  o 27.80461 7.488993  266.0419       140.2663 385.0120       
174.9036 51.62680       234.8052 33.57739 10.88010 22.03183 10.29386 11.54556 
14.97799 
1 1 1 31  15  2  o 19.98762 6.774487  -75.94060      166.1290 -165.0999      
241.0274 4.750133       229.2952 18.86959 9.215094 21.10566 9.932611 -2.236065 
13.54897 
1 1 1 31  15  3  o 28.06283 8.082690  286.0127       155.3435 198.7388       
261.9473 333.3561       192.9307 25.58945 11.53715 30.53621 11.32315 -4.946758 
16.16538 
1 1 1 31  15  4  o 24.69915 7.759862  82.53128       157.2749 391.3514       
266.3726 -82.74245      194.8672 30.73955 12.70373 18.65875 8.914996 12.08080 
15.51972 
1 1 1 31  15  5  o 26.72110 8.378904  208.2142       177.8350 352.4123       
304.5419 133.6025       219.0639 29.38117 12.89000 24.06104 10.70850 5.320127 
16.75781 
1 1 1 31  15  6  o 22.46537 7.354110  45.65379       164.6637 -5.481912      
259.7501 80.01054       212.9118 22.16973 10.47595 22.76101 10.32406 
-0.5912704     14.70822 
1 1 1 31  15  7  o 22.71317 7.456684  39.44328       172.5313 -0.7496577     
244.5129 79.29823       243.4827 21.95236 10.30982 23.47398 10.77572 -1.521612 
14.91337 
1 1 1 31  15  8  o 23.38233 7.674819  51.61617       184.4438 140.7113       
242.3598 -71.00208      284.3225 24.83702 11.15267 21.92764 10.54654 2.909384 
15.34964 
1 1 1 31  15  9  o 24.50297 7.963028  110.2722       186.1876 127.7065       
242.1545 85.06142       291.1938 24.55425 11.08036 24.45169 11.43962 0.1025658 
15.92606 
1 1 1 31  15  10 o 26.54024 8.300285  202.5836       188.3437 290.3437       
246.4068 79.25625       292.1014 28.74947 12.06891 24.33101 11.39826 4.418467 
16.60057 
1 1 1 31  15  11 o 23.24864 7.748845  -6.700519      191.6643 -160.7974      
248.3161 220.4059       301.4551 19.60179 9.526176 26.89549 12.22417 -7.293695 
15.49769 
1 1 1 31  15  12 o 25.04485 11.67518  128.3192       299.8994 0.000000       
0.000000 128.3192       299.8994 ?        ?        25.04485 11.67518 ? ? 
1 1 1 31  15  13 f 33.42559 12.99262  466.6283       261.7747 466.6283       
261.7747 0.000000       0.000000 33.42559 12.99262 ?        ?        ? ? 
1 1 1 31  15  14 o 22.36350 7.452168  17.98947       186.0159 -107.3430      
282.9918 113.3394       246.8324 20.96713 10.18339 23.75987 10.88292 -2.792742 
14.90434 
1 1 1 31  15  15 o 22.98433 7.411516  90.24058       162.5253 184.3354       
217.2638 -29.31579      244.9011 24.98306 10.92441 20.98560 10.01896 3.997459 
14.82303 
1 1 1 31  15  16 o 22.37828 7.336673  69.51574       160.5707 83.00202       
269.2712 62.07383       200.0259 23.21087 10.88609 21.54568 9.838709 1.665184 
14.67335 
1 1 1 31  16  2  o 20.40181 6.989647  -70.78210      161.2275 40.74820       
306.0704 -113.6153      189.6772 23.08458 11.06383 17.71904 8.544724 5.365540 
13.97929 
1 1 1 31  16  3  o 33.27556 8.123903  411.3981       171.7628 81.09720       
256.9063 678.3880       230.9762 23.03272 10.76380 43.51839 12.17094 -20.48567 
16.24781 
1 1 1 31  16  4  o 25.42419 7.736913  196.2478       158.3184 49.50252       
266.3135 276.4545       196.8866 22.74973 10.70577 28.09866 11.17254 -5.348928 
15.47383 
1 1 1 31  16  5  f 20.03967 6.785274  -66.84457      161.0395 -87.42603      
249.2383 -52.09428      210.9973 20.34313 9.806391 19.73621 9.380536 0.6069221 
13.57055 
1 1 1 31  16  6  f 23.44927 7.512897  102.6492       158.6422 159.1666       
241.2563 59.59498       210.5695 24.83558 11.14023 22.06296 10.08314 2.772621 
15.02579 
1 1 1 31  16  7  o 27.51563 8.199989  233.6596       172.2698 56.92500       
244.7659 407.1407       242.5025 22.83882 10.60837 32.19244 12.50687 -9.353624 
16.39998 
1 1 1 31  16  8  o 23.08718 7.646535  6.553499       183.7146 -148.8803      
240.2818 225.2825       285.0370 19.40736 9.412562 26.76699 12.05328 -7.359631 
15.29307 
1 1 1 31  16  9  f 23.35752 7.792068  36.96448       201.5192 21.70350       
281.9088 52.91166       288.1770 23.05691 10.90387 23.65814 11.13422 
-0.6012306     15.58414 
1 1 1 31  16  10 o 19.18120 6.683708  -247.1914      187.5664 -286.2380      
246.0941 -193.0685      289.7348 17.95866 8.874459 20.40374 9.996588 -2.445080 
13.36742 
1 1 1 31  16  11 o 21.38553 7.251980  -67.87029      190.0068 25.67929       
248.7464 -198.9180      294.4086 22.35263 10.47986 20.41842 10.02683 1.934216 
14.50396 
1 1 1 31  16  12 o 29.56792 8.943918  349.5085       196.0788 337.9673       
255.4012 366.0759       306.0024 29.55536 12.34036 29.58047 12.94953 
-0.2511215E-01 17.88784 
1 1 1 31  16  13 o 22.95915 7.688021  38.60463       196.2166 65.98410       
259.1982 1.853086       300.3013 23.08549 10.79749 22.83281 10.94700 0.2526836 
15.37604 
1 1 1 31  16  14 x ?        ?         ?              ?        ?              ? 
?              ?        ?        ?        ?        ?        ?              ? 
1 1 1 31  16  15 o 23.40946 7.457048  94.29710       160.2787 -61.39680      
224.3350 256.6411       229.0759 19.87092 9.511166 26.94799 11.48773 -7.077070 
14.91410 
1 1 1 31  16  16 o 21.56517 7.204627  -34.43347      161.4161 223.8258       
270.3200 -177.5492      201.2306 25.90591 11.69777 17.22444 8.413611 8.681469 
14.40925 
1 1 1 31  17  3  o 22.36170 7.435882  23.31010       160.9255 231.6871       
294.1496 -65.69891      192.2473 26.07342 11.91658 18.64998 8.897438 7.423439 
14.87176 
1 1 1 31  17  4  o 25.86190 7.930991  216.5912       156.3870 250.4655       
251.7925 195.3174       199.5405 26.59386 11.69355 25.12993 10.71743 1.463932 
15.86198 
1 1 1 31  17  5  o 19.35387 6.644594  -130.3691      169.2496 -173.2070      
234.0902 -83.44849      244.9918 18.56720 9.070688 20.14054 9.712112 -1.573347 
13.28919 
1 1 1 31  17  6  o 23.02544 7.534565  84.21733       167.4393 102.0208       
279.1342 74.21058       209.2701 23.87163 11.17578 22.17926 10.10845 1.692368 
15.06913 
1 1 1 31  17  7  o 30.14893 8.727751  340.9931       180.5632 191.7780       
241.8043 529.0707       271.4728 25.47169 11.30096 34.82616 13.30349 -9.354479 
17.45550 
1 1 1 31  17  8  o 28.17973 8.634352  298.2046       188.2937 304.8784       
241.5910 287.8773       300.5299 28.62727 11.98064 27.73218 12.43673 0.8950825 
17.26870 
1 1 1 31  17  9  o 26.25170 8.345444  195.9919       189.6345 95.03921       
247.2811 340.1310       295.4763 23.50861 10.82004 28.99480 12.70875 -5.486195 
16.69089 
1 1 1 31  17  10 o 22.66835 7.550014  25.40036       189.9430 107.3314       
246.1616 -95.16545      298.6126 23.75041 10.87421 21.58630 10.47676 2.164106 
15.10003 
1 1 1 31  17  11 o 25.63636 8.166574  186.4308       190.1655 259.9724       
249.8848 85.23121       293.1317 27.30242 11.82569 23.97031 11.26608 3.332108 
16.33315 
1 1 1 31  17  12 o 22.39104 7.507535  14.68880       190.7385 70.02177       
248.1954 -65.13264      298.0997 22.93789 10.66518 21.84420 10.56912 1.093695 
15.01507 
1 1 1 31  17  13 o 27.19721 8.262101  256.2541       179.4167 368.1440       
235.0683 100.1085       277.6922 30.56216 12.19035 23.83226 11.15548 6.729898 
16.52420 
1 1 1 31  17  14 o 20.95597 6.958111  5.449339       156.4578 13.45075       
217.2380 -3.174110      225.5241 21.00091 9.836693 20.91104 9.843815 
0.8987236E-01  13.91622 
1 1 1 31  17  15 o 19.80319 6.710337  -64.04375      159.0124 -45.94856      
221.0264 -83.45741      228.9372 19.98336 9.535136 19.62302 9.444345 0.3603344 
13.42067 
1 1 1 31  17  16 o 16.43371 8.183609  -325.3814      224.7638 -325.3814      
224.7638 0.000000       0.000000 16.43371 8.183609 ?        ?        ? ? 
1 1 1 31  18  5  o 18.12874 6.277029  -179.7608      158.3867 -181.4667      
246.3201 -178.5582      206.8098 18.82233 9.220730 17.43515 8.519537 1.387182 
12.55406 
1 1 1 31  18  6  o 21.60901 7.186167  18.16145       168.4610 83.86795       
234.0318 -52.49274      242.6832 22.71399 10.48217 20.50403 9.833009 2.209967 
14.37233 
1 1 1 31  18  7  f 25.09930 8.074944  179.8896       185.9956 176.5063       
244.8610 184.5042       285.9734 24.89233 11.19242 25.30626 11.64254 
-0.4139290     16.14989 
1 1 1 31  18  8  o 24.85841 7.994290  165.8155       184.9002 216.3901       
244.8344 98.68312       282.0799 25.92033 11.45197 23.79649 11.15737 2.123838 
15.98858 
1 1 1 31  18  9  o 23.90678 7.863076  111.0271       189.8153 103.2754       
252.4776 121.1044       287.8697 23.53205 10.87025 24.28152 11.36439 
-0.7494717     15.72615 
1 1 1 31  18  10 o 25.14470 8.220152  166.7421       199.7956 165.1518       
244.8904 169.9077       345.5158 24.75033 11.15722 25.53907 12.07477 
-0.7887421     16.44030 
1 1 1 31  18  11 f 22.11929 7.398020  -4.579761      189.7014 137.8582       
247.6369 -206.8835      295.1240 24.17287 11.01143 20.06572 9.882876 4.107151 
14.79604 
1 1 1 31  18  12 o 24.57137 7.935195  148.7563       186.5962 229.4984       
241.0372 28.00089       294.7730 26.24349 11.49081 22.89926 10.94671 3.344229 
15.87039 
1 1 1 31  18  13 o 23.25233 7.491650  104.1463       165.0365 187.1107       
217.7450 -7.854428      252.9954 25.02069 10.93871 21.48396 10.23933 3.536730 
14.98330 
1 1 1 31  18  14 o 21.24483 7.037303  20.18066       158.4149 36.72779       
221.4762 2.846886       226.6794 21.50406 10.02790 20.98559 9.876016 0.5184784 
14.07461 
1 1 1 31  18  15 o 23.58262 7.520486  110.8926       161.2003 -13.76240      
221.3293 251.7218       235.2504 20.51780 9.685884 26.64745 11.50715 -6.129658 
15.04097 
1 1 1 31  19  7  o 24.98466 8.139893  156.4053       189.4568 63.01822       
238.6593 315.5377       311.5404 22.33119 10.41208 27.63814 12.51479 -5.306946 
16.27979 
1 1 1 31  19  8  o 22.35590 7.401349  22.61472       183.4542 190.7671       
242.8019 -201.0944      280.0544 25.11517 11.22295 19.59663 9.652214 5.518536 
14.80270 
1 1 1 31  19  9  o 22.41093 7.579883  14.87731       200.2984 -3.813143      
277.3652 35.24702       289.5573 22.02107 10.54884 22.80080 10.88763 
-0.7797337     15.15977 
1 1 1 31  19  10 o 22.90865 7.645382  44.95557       187.7462 -49.83358      
244.4765 181.2186       293.1209 20.59624 9.875309 25.22105 11.67415 -4.624805 
15.29076 
1 1 1 31  19  11 o 23.32280 7.593732  99.39996       177.2248 185.9762       
222.3152 -51.53958      293.5428 24.96167 10.98175 21.68393 10.49096 3.277737 
15.18746 
1 1 1 31  19  12 o 26.34382 8.471375  177.5219       182.7649 50.98643       
215.5660 501.0151       344.6725 21.66009 10.02031 31.02756 13.66200 -9.367466 
16.94275 
1 1 1 31  19  13 o 23.34196 7.435789  106.4869       157.5387 -11.38355      
219.0175 232.8513       226.7715 20.50497 9.666703 26.17895 11.30127 -5.673983 
14.87158 
1 1 1 31  19  14 o 21.03867 6.970554  -7.131930      156.9570 -138.3245      
217.2762 136.0448       226.9833 18.39392 8.930293 23.68341 10.70534 -5.289495 
13.94111 
# 

#END OF REFLECTIONS
